USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 75:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc= -2.8! C(o=-2.8!,f=-5.1!) USER MOD Set 2.1: A 80 CYS SG : rot -74:sc= 0.943 USER MOD Set 2.2: A 82 THR OG1 : rot 156:sc= 0.884 USER MOD Set 3.1: A 69 SER OG : rot -73:sc= 0.761 USER MOD Set 3.2: A 70 ASN : amide:sc= -1.06 K(o=-0.3,f=-1.9) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -2.17! C(o=-1.4!,f=-4.4!) USER MOD Set 4.2: A 19 THR OG1 : rot -28:sc= 0.741 USER MOD Single : A 16 ASN : amide:sc= -1.02 K(o=-1,f=-1.5) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00416 USER MOD Single : A 38 MET CE :methyl -168:sc= -1.88 (180deg=-2.28!) USER MOD Single : A 41 THR OG1 : rot 25:sc= 1.01 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 124:sc= 0.542 USER MOD Single : A 61 CYS SG : rot 160:sc= -1.53 USER MOD Single : A 67 TYR OH : rot 78:sc= 0.00489 USER MOD Single : A 73 SER OG : rot 43:sc= 0.428 USER MOD Single : A 76 SER OG : rot 180:sc= -0.322 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 84 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1.7!) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.32 (180deg=0.88) USER MOD Single : A 91 CYS SG : rot 48:sc= 0.564 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.7) USER MOD Single : A 102 GLN : amide:sc= 0.397 X(o=0.4,f=-0.036) USER MOD Single : A 105 MET CE :methyl 156:sc= -1.54 (180deg=-2.95!) USER MOD Single : B 6 HIS :FLIP no HD1:sc=-0.00501 F(o=-0.79,f=-0.005) USER MOD Single : B 9 CYS SG : rot -156:sc= 0.828 USER MOD Single : B 11 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.4!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.797 12.491 -7.016 1.00 0.00 N ATOM 163 CA PRO A 14 15.833 12.393 -8.117 1.00 0.00 C ATOM 164 C PRO A 14 14.496 11.815 -7.666 1.00 0.00 C ATOM 165 O PRO A 14 14.428 11.074 -6.686 1.00 0.00 O ATOM 166 CB PRO A 14 16.519 11.446 -9.105 1.00 0.00 C ATOM 167 CG PRO A 14 17.441 10.627 -8.268 1.00 0.00 C ATOM 168 CD PRO A 14 17.903 11.529 -7.157 1.00 0.00 C ATOM 0 HA PRO A 14 15.593 13.370 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.792 10.820 -9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.065 11.999 -9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.932 9.749 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.286 10.267 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.074 10.975 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.840 12.027 -7.407 1.00 0.00 H new ATOM 176 N ASP A 15 13.435 12.159 -8.388 1.00 0.00 N ATOM 177 CA ASP A 15 12.099 11.672 -8.063 1.00 0.00 C ATOM 178 C ASP A 15 11.909 10.239 -8.551 1.00 0.00 C ATOM 179 O ASP A 15 10.797 9.714 -8.543 1.00 0.00 O ATOM 180 CB ASP A 15 11.038 12.581 -8.685 1.00 0.00 C ATOM 181 CG ASP A 15 11.426 14.046 -8.631 1.00 0.00 C ATOM 182 OD1 ASP A 15 12.414 14.423 -9.295 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.740 14.815 -7.926 1.00 0.00 O ATOM 0 H ASP A 15 13.474 12.773 -9.202 1.00 0.00 H new ATOM 0 HA ASP A 15 11.988 11.685 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.877 12.289 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.091 12.439 -8.163 1.00 0.00 H new ATOM 188 N ASN A 16 13.002 9.614 -8.976 1.00 0.00 N ATOM 189 CA ASN A 16 12.955 8.242 -9.469 1.00 0.00 C ATOM 190 C ASN A 16 14.055 7.398 -8.832 1.00 0.00 C ATOM 191 O ASN A 16 14.430 6.349 -9.358 1.00 0.00 O ATOM 192 CB ASN A 16 13.097 8.221 -10.992 1.00 0.00 C ATOM 193 CG ASN A 16 11.894 8.821 -11.693 1.00 0.00 C ATOM 194 OD1 ASN A 16 10.857 9.061 -11.075 1.00 0.00 O ATOM 195 ND2 ASN A 16 12.027 9.066 -12.991 1.00 0.00 N ATOM 0 H ASN A 16 13.931 10.035 -8.989 1.00 0.00 H new ATOM 0 HA ASN A 16 11.990 7.816 -9.195 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.993 8.772 -11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.234 7.193 -11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.251 9.469 -13.516 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.905 8.851 -13.463 1.00 0.00 H new ATOM 202 N HIS A 17 14.568 7.862 -7.697 1.00 0.00 N ATOM 203 CA HIS A 17 15.624 7.148 -6.988 1.00 0.00 C ATOM 204 C HIS A 17 15.138 5.778 -6.524 1.00 0.00 C ATOM 205 O HIS A 17 14.000 5.613 -6.084 1.00 0.00 O ATOM 206 CB HIS A 17 16.103 7.965 -5.787 1.00 0.00 C ATOM 207 CG HIS A 17 17.564 7.805 -5.498 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.045 7.043 -4.454 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.651 8.312 -6.124 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.365 7.090 -4.450 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.758 7.853 -5.453 1.00 0.00 N ATOM 0 H HIS A 17 14.270 8.728 -7.249 1.00 0.00 H new ATOM 0 HA HIS A 17 16.457 7.004 -7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.890 9.019 -5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.532 7.670 -4.906 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.649 8.957 -6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.013 6.589 -3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.726 8.067 -5.691 1.00 0.00 H new ATOM 220 N PRO A 18 16.018 4.772 -6.625 1.00 0.00 N ATOM 221 CA PRO A 18 15.701 3.399 -6.221 1.00 0.00 C ATOM 222 C PRO A 18 15.563 3.257 -4.709 1.00 0.00 C ATOM 223 O PRO A 18 14.649 2.593 -4.218 1.00 0.00 O ATOM 224 CB PRO A 18 16.901 2.594 -6.726 1.00 0.00 C ATOM 225 CG PRO A 18 18.019 3.577 -6.784 1.00 0.00 C ATOM 226 CD PRO A 18 17.392 4.897 -7.140 1.00 0.00 C ATOM 0 HA PRO A 18 14.746 3.065 -6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.135 1.768 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.703 2.161 -7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.536 3.636 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.759 3.283 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.920 5.731 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.404 5.070 -8.216 1.00 0.00 H new ATOM 234 N THR A 19 16.476 3.885 -3.974 1.00 0.00 N ATOM 235 CA THR A 19 16.456 3.828 -2.518 1.00 0.00 C ATOM 236 C THR A 19 15.569 4.923 -1.937 1.00 0.00 C ATOM 237 O THR A 19 15.068 4.803 -0.818 1.00 0.00 O ATOM 238 CB THR A 19 17.873 3.965 -1.931 1.00 0.00 C ATOM 239 OG1 THR A 19 18.368 5.290 -2.150 1.00 0.00 O ATOM 240 CG2 THR A 19 18.820 2.954 -2.561 1.00 0.00 C ATOM 0 H THR A 19 17.239 4.439 -4.364 1.00 0.00 H new ATOM 0 HA THR A 19 16.051 2.854 -2.245 1.00 0.00 H new ATOM 0 HB THR A 19 17.819 3.770 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.955 5.664 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.815 3.070 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.456 1.945 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 19 18.868 3.122 -3.637 1.00 0.00 H new ATOM 248 N LYS A 20 15.378 5.992 -2.703 1.00 0.00 N ATOM 249 CA LYS A 20 14.550 7.109 -2.265 1.00 0.00 C ATOM 250 C LYS A 20 13.324 7.260 -3.159 1.00 0.00 C ATOM 251 O LYS A 20 13.425 7.193 -4.385 1.00 0.00 O ATOM 252 CB LYS A 20 15.362 8.406 -2.272 1.00 0.00 C ATOM 253 CG LYS A 20 15.976 8.746 -0.924 1.00 0.00 C ATOM 254 CD LYS A 20 17.366 8.150 -0.778 1.00 0.00 C ATOM 255 CE LYS A 20 18.238 8.990 0.142 1.00 0.00 C ATOM 256 NZ LYS A 20 19.391 8.212 0.676 1.00 0.00 N ATOM 0 H LYS A 20 15.786 6.108 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 20 14.214 6.903 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.157 8.323 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.717 9.227 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.030 9.829 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.334 8.373 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.289 7.137 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.836 8.075 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.607 9.860 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.637 9.364 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.961 8.819 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.039 7.396 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.979 7.877 -0.114 1.00 0.00 H new ATOM 270 N PHE A 21 12.167 7.467 -2.540 1.00 0.00 N ATOM 271 CA PHE A 21 10.921 7.628 -3.280 1.00 0.00 C ATOM 272 C PHE A 21 10.097 8.780 -2.713 1.00 0.00 C ATOM 273 O PHE A 21 9.555 8.689 -1.611 1.00 0.00 O ATOM 274 CB PHE A 21 10.106 6.334 -3.237 1.00 0.00 C ATOM 275 CG PHE A 21 10.832 5.149 -3.808 1.00 0.00 C ATOM 276 CD1 PHE A 21 10.740 4.849 -5.158 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.606 4.337 -2.996 1.00 0.00 C ATOM 278 CE1 PHE A 21 11.407 3.759 -5.686 1.00 0.00 C ATOM 279 CE2 PHE A 21 12.274 3.246 -3.518 1.00 0.00 C ATOM 280 CZ PHE A 21 12.176 2.957 -4.865 1.00 0.00 C ATOM 0 H PHE A 21 12.066 7.527 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 21 11.170 7.858 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.834 6.120 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.177 6.481 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.141 5.473 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.688 4.559 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.327 3.535 -6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.872 2.620 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.699 2.106 -5.276 1.00 0.00 H new ATOM 290 N LYS A 22 10.007 9.866 -3.474 1.00 0.00 N ATOM 291 CA LYS A 22 9.249 11.037 -3.050 1.00 0.00 C ATOM 292 C LYS A 22 7.755 10.733 -3.009 1.00 0.00 C ATOM 293 O LYS A 22 7.153 10.387 -4.026 1.00 0.00 O ATOM 294 CB LYS A 22 9.515 12.212 -3.994 1.00 0.00 C ATOM 295 CG LYS A 22 10.691 13.076 -3.573 1.00 0.00 C ATOM 296 CD LYS A 22 11.387 13.694 -4.774 1.00 0.00 C ATOM 297 CE LYS A 22 12.854 13.974 -4.485 1.00 0.00 C ATOM 298 NZ LYS A 22 13.416 14.996 -5.411 1.00 0.00 N ATOM 0 H LYS A 22 10.450 9.959 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 22 9.575 11.305 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.699 11.827 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.621 12.832 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.343 13.866 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.403 12.473 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.305 13.022 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.886 14.622 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.962 14.317 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.425 13.050 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.417 15.159 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.336 14.658 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.888 15.886 -5.308 1.00 0.00 H new ATOM 312 N VAL A 23 7.160 10.865 -1.827 1.00 0.00 N ATOM 313 CA VAL A 23 5.736 10.607 -1.654 1.00 0.00 C ATOM 314 C VAL A 23 5.008 11.851 -1.158 1.00 0.00 C ATOM 315 O VAL A 23 5.632 12.805 -0.692 1.00 0.00 O ATOM 316 CB VAL A 23 5.491 9.453 -0.664 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.121 8.167 -1.175 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.030 9.810 0.713 1.00 0.00 C ATOM 0 H VAL A 23 7.643 11.149 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 23 5.344 10.326 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 23 4.416 9.293 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.937 7.363 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.683 7.905 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.195 8.310 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.849 8.984 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.102 9.998 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.527 10.704 1.080 1.00 0.00 H new ATOM 328 N THR A 24 3.683 11.835 -1.261 1.00 0.00 N ATOM 329 CA THR A 24 2.869 12.962 -0.824 1.00 0.00 C ATOM 330 C THR A 24 1.710 12.497 0.051 1.00 0.00 C ATOM 331 O THR A 24 0.771 11.866 -0.431 1.00 0.00 O ATOM 332 CB THR A 24 2.307 13.749 -2.024 1.00 0.00 C ATOM 333 OG1 THR A 24 3.366 14.441 -2.695 1.00 0.00 O ATOM 334 CG2 THR A 24 1.250 14.745 -1.571 1.00 0.00 C ATOM 0 H THR A 24 3.151 11.054 -1.643 1.00 0.00 H new ATOM 0 HA THR A 24 3.520 13.615 -0.243 1.00 0.00 H new ATOM 0 HB THR A 24 1.844 13.040 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.001 14.937 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.868 15.289 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.432 14.212 -1.087 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.692 15.449 -0.866 1.00 0.00 H new ATOM 342 N ASN A 25 1.784 12.814 1.340 1.00 0.00 N ATOM 343 CA ASN A 25 0.740 12.429 2.282 1.00 0.00 C ATOM 344 C ASN A 25 -0.617 12.969 1.843 1.00 0.00 C ATOM 345 O ASN A 25 -0.870 14.172 1.913 1.00 0.00 O ATOM 346 CB ASN A 25 1.076 12.940 3.685 1.00 0.00 C ATOM 347 CG ASN A 25 -0.143 13.006 4.584 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.467 14.059 5.134 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.826 11.878 4.737 1.00 0.00 N ATOM 0 H ASN A 25 2.556 13.336 1.755 1.00 0.00 H new ATOM 0 HA ASN A 25 0.688 11.340 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.823 12.287 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.523 13.931 3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.656 11.861 5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.521 11.029 4.262 1.00 0.00 H new ATOM 356 N VAL A 26 -1.487 12.072 1.391 1.00 0.00 N ATOM 357 CA VAL A 26 -2.819 12.458 0.942 1.00 0.00 C ATOM 358 C VAL A 26 -3.897 11.862 1.841 1.00 0.00 C ATOM 359 O VAL A 26 -3.595 11.172 2.815 1.00 0.00 O ATOM 360 CB VAL A 26 -3.074 12.012 -0.510 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.129 12.728 -1.463 1.00 0.00 C ATOM 362 CG2 VAL A 26 -2.928 10.503 -0.636 1.00 0.00 C ATOM 0 H VAL A 26 -1.293 11.073 1.326 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.867 13.546 0.994 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.095 12.280 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.324 12.400 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.286 13.804 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.098 12.494 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.111 10.205 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.919 10.210 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.649 10.012 0.017 1.00 0.00 H new ATOM 372 N ASP A 27 -5.154 12.133 1.508 1.00 0.00 N ATOM 373 CA ASP A 27 -6.278 11.623 2.285 1.00 0.00 C ATOM 374 C ASP A 27 -7.088 10.617 1.472 1.00 0.00 C ATOM 375 O ASP A 27 -6.713 10.261 0.355 1.00 0.00 O ATOM 376 CB ASP A 27 -7.177 12.774 2.738 1.00 0.00 C ATOM 377 CG ASP A 27 -8.183 13.175 1.676 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.767 13.400 0.521 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.385 13.265 2.002 1.00 0.00 O ATOM 0 H ASP A 27 -5.420 12.703 0.705 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.880 11.116 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.707 12.482 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.559 13.635 2.993 1.00 0.00 H new ATOM 384 N ASP A 28 -8.199 10.163 2.041 1.00 0.00 N ATOM 385 CA ASP A 28 -9.062 9.198 1.370 1.00 0.00 C ATOM 386 C ASP A 28 -9.460 9.697 -0.016 1.00 0.00 C ATOM 387 O ASP A 28 -9.522 8.923 -0.970 1.00 0.00 O ATOM 388 CB ASP A 28 -10.313 8.931 2.208 1.00 0.00 C ATOM 389 CG ASP A 28 -10.867 7.537 1.993 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.074 6.626 1.675 1.00 0.00 O ATOM 391 OD2 ASP A 28 -12.094 7.356 2.143 1.00 0.00 O ATOM 0 H ASP A 28 -8.523 10.448 2.965 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.506 8.268 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.075 9.066 3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.078 9.666 1.957 1.00 0.00 H new ATOM 396 N GLU A 29 -9.730 10.995 -0.117 1.00 0.00 N ATOM 397 CA GLU A 29 -10.124 11.596 -1.386 1.00 0.00 C ATOM 398 C GLU A 29 -8.967 11.575 -2.381 1.00 0.00 C ATOM 399 O GLU A 29 -9.161 11.328 -3.570 1.00 0.00 O ATOM 400 CB GLU A 29 -10.598 13.034 -1.169 1.00 0.00 C ATOM 401 CG GLU A 29 -11.685 13.165 -0.115 1.00 0.00 C ATOM 402 CD GLU A 29 -13.077 12.987 -0.688 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.392 13.650 -1.698 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.852 12.184 -0.126 1.00 0.00 O ATOM 0 H GLU A 29 -9.683 11.650 0.664 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.945 11.008 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.746 13.648 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.970 13.431 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.520 12.423 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.613 14.145 0.356 1.00 0.00 H new ATOM 411 N GLY A 30 -7.762 11.837 -1.883 1.00 0.00 N ATOM 412 CA GLY A 30 -6.591 11.844 -2.741 1.00 0.00 C ATOM 413 C GLY A 30 -5.946 13.213 -2.831 1.00 0.00 C ATOM 414 O GLY A 30 -5.134 13.467 -3.720 1.00 0.00 O ATOM 0 H GLY A 30 -7.576 12.044 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.863 11.127 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.874 11.513 -3.740 1.00 0.00 H new ATOM 418 N VAL A 31 -6.309 14.098 -1.908 1.00 0.00 N ATOM 419 CA VAL A 31 -5.761 15.449 -1.887 1.00 0.00 C ATOM 420 C VAL A 31 -4.337 15.456 -1.343 1.00 0.00 C ATOM 421 O VAL A 31 -3.892 14.486 -0.729 1.00 0.00 O ATOM 422 CB VAL A 31 -6.629 16.393 -1.034 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.080 16.341 -1.487 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.510 16.039 0.441 1.00 0.00 C ATOM 0 H VAL A 31 -6.980 13.904 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.755 15.804 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.267 17.412 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.677 17.014 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.146 16.647 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.458 15.324 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.130 16.716 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.844 15.013 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.471 16.134 0.755 1.00 0.00 H new ATOM 434 N GLU A 32 -3.627 16.556 -1.573 1.00 0.00 N ATOM 435 CA GLU A 32 -2.252 16.688 -1.106 1.00 0.00 C ATOM 436 C GLU A 32 -2.198 17.439 0.221 1.00 0.00 C ATOM 437 O GLU A 32 -2.454 18.642 0.278 1.00 0.00 O ATOM 438 CB GLU A 32 -1.403 17.415 -2.151 1.00 0.00 C ATOM 439 CG GLU A 32 -1.336 16.697 -3.488 1.00 0.00 C ATOM 440 CD GLU A 32 -0.558 17.476 -4.531 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.423 18.152 -4.156 1.00 0.00 O ATOM 442 OE2 GLU A 32 -0.930 17.411 -5.721 1.00 0.00 O ATOM 0 H GLU A 32 -3.981 17.368 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.849 15.687 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.809 18.415 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.392 17.538 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.872 15.720 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.348 16.520 -3.852 1.00 0.00 H new ATOM 449 N LEU A 33 -1.863 16.720 1.287 1.00 0.00 N ATOM 450 CA LEU A 33 -1.776 17.317 2.616 1.00 0.00 C ATOM 451 C LEU A 33 -0.354 17.782 2.911 1.00 0.00 C ATOM 452 O LEU A 33 -0.119 18.959 3.183 1.00 0.00 O ATOM 453 CB LEU A 33 -2.227 16.313 3.678 1.00 0.00 C ATOM 454 CG LEU A 33 -3.547 15.593 3.403 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.808 14.533 4.463 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.697 16.589 3.349 1.00 0.00 C ATOM 0 H LEU A 33 -1.647 15.724 1.257 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.435 18.185 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.445 15.563 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.313 16.836 4.630 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.474 15.099 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.752 14.031 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.999 13.803 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.861 15.005 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.629 16.059 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.771 17.111 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.516 17.311 2.553 1.00 0.00 H new ATOM 468 N GLY A 34 0.593 16.851 2.852 1.00 0.00 N ATOM 469 CA GLY A 34 1.981 17.186 3.113 1.00 0.00 C ATOM 470 C GLY A 34 2.943 16.363 2.279 1.00 0.00 C ATOM 471 O GLY A 34 2.745 15.162 2.096 1.00 0.00 O ATOM 0 H GLY A 34 0.424 15.870 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.141 18.244 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.197 17.030 4.170 1.00 0.00 H new ATOM 475 N SER A 35 3.986 17.010 1.771 1.00 0.00 N ATOM 476 CA SER A 35 4.980 16.332 0.947 1.00 0.00 C ATOM 477 C SER A 35 6.040 15.662 1.816 1.00 0.00 C ATOM 478 O SER A 35 6.492 16.228 2.811 1.00 0.00 O ATOM 479 CB SER A 35 5.641 17.323 -0.012 1.00 0.00 C ATOM 480 OG SER A 35 6.124 18.460 0.683 1.00 0.00 O ATOM 0 H SER A 35 4.165 18.004 1.915 1.00 0.00 H new ATOM 0 HA SER A 35 4.471 15.562 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.464 16.835 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.923 17.634 -0.770 1.00 0.00 H new ATOM 0 HG SER A 35 6.544 19.078 0.048 1.00 0.00 H new ATOM 486 N GLY A 36 6.434 14.452 1.432 1.00 0.00 N ATOM 487 CA GLY A 36 7.438 13.724 2.185 1.00 0.00 C ATOM 488 C GLY A 36 8.235 12.769 1.318 1.00 0.00 C ATOM 489 O GLY A 36 7.846 12.474 0.188 1.00 0.00 O ATOM 0 H GLY A 36 6.075 13.963 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.117 14.433 2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.953 13.165 2.985 1.00 0.00 H new ATOM 493 N VAL A 37 9.354 12.286 1.848 1.00 0.00 N ATOM 494 CA VAL A 37 10.208 11.359 1.114 1.00 0.00 C ATOM 495 C VAL A 37 10.348 10.035 1.856 1.00 0.00 C ATOM 496 O VAL A 37 10.789 9.999 3.005 1.00 0.00 O ATOM 497 CB VAL A 37 11.610 11.954 0.880 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.480 10.980 0.100 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.508 13.288 0.156 1.00 0.00 C ATOM 0 H VAL A 37 9.690 12.521 2.782 1.00 0.00 H new ATOM 0 HA VAL A 37 9.730 11.183 0.151 1.00 0.00 H new ATOM 0 HB VAL A 37 12.079 12.127 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.466 11.417 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.580 10.051 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.018 10.773 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.507 13.694 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.020 13.143 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.924 13.985 0.757 1.00 0.00 H new ATOM 509 N MET A 38 9.969 8.948 1.192 1.00 0.00 N ATOM 510 CA MET A 38 10.053 7.620 1.789 1.00 0.00 C ATOM 511 C MET A 38 11.414 6.988 1.517 1.00 0.00 C ATOM 512 O MET A 38 11.908 7.016 0.391 1.00 0.00 O ATOM 513 CB MET A 38 8.942 6.721 1.243 1.00 0.00 C ATOM 514 CG MET A 38 8.760 5.434 2.031 1.00 0.00 C ATOM 515 SD MET A 38 8.336 5.730 3.758 1.00 0.00 S ATOM 516 CE MET A 38 6.553 5.862 3.651 1.00 0.00 C ATOM 0 H MET A 38 9.601 8.960 0.241 1.00 0.00 H new ATOM 0 HA MET A 38 9.929 7.724 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.003 7.275 1.246 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.163 6.474 0.205 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.976 4.836 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.679 4.850 1.982 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.160 6.253 4.589 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.286 6.536 2.837 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.126 4.877 3.461 1.00 0.00 H new ATOM 526 N GLU A 39 12.016 6.418 2.558 1.00 0.00 N ATOM 527 CA GLU A 39 13.321 5.780 2.430 1.00 0.00 C ATOM 528 C GLU A 39 13.267 4.332 2.906 1.00 0.00 C ATOM 529 O GLU A 39 12.757 4.041 3.989 1.00 0.00 O ATOM 530 CB GLU A 39 14.371 6.553 3.229 1.00 0.00 C ATOM 531 CG GLU A 39 15.756 5.930 3.176 1.00 0.00 C ATOM 532 CD GLU A 39 16.852 6.911 3.546 1.00 0.00 C ATOM 533 OE1 GLU A 39 17.052 7.887 2.793 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.509 6.703 4.587 1.00 0.00 O ATOM 0 H GLU A 39 11.621 6.386 3.498 1.00 0.00 H new ATOM 0 HA GLU A 39 13.599 5.787 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.426 7.573 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.050 6.617 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.793 5.077 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.940 5.547 2.172 1.00 0.00 H new ATOM 541 N LEU A 40 13.796 3.427 2.090 1.00 0.00 N ATOM 542 CA LEU A 40 13.809 2.008 2.427 1.00 0.00 C ATOM 543 C LEU A 40 15.183 1.581 2.934 1.00 0.00 C ATOM 544 O LEU A 40 16.035 1.144 2.159 1.00 0.00 O ATOM 545 CB LEU A 40 13.420 1.170 1.207 1.00 0.00 C ATOM 546 CG LEU A 40 11.922 0.959 0.988 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.239 2.278 0.658 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.683 -0.058 -0.118 1.00 0.00 C ATOM 0 H LEU A 40 14.222 3.651 1.190 1.00 0.00 H new ATOM 0 HA LEU A 40 13.081 1.842 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.833 1.646 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.895 0.193 1.296 1.00 0.00 H new ATOM 0 HG LEU A 40 11.491 0.571 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.173 2.108 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.380 2.977 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.673 2.695 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.611 -0.196 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.129 0.301 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.138 -1.009 0.158 1.00 0.00 H new ATOM 560 N THR A 41 15.392 1.707 4.240 1.00 0.00 N ATOM 561 CA THR A 41 16.661 1.334 4.852 1.00 0.00 C ATOM 562 C THR A 41 16.527 0.044 5.653 1.00 0.00 C ATOM 563 O THR A 41 15.588 -0.118 6.432 1.00 0.00 O ATOM 564 CB THR A 41 17.189 2.447 5.776 1.00 0.00 C ATOM 565 OG1 THR A 41 16.131 2.933 6.610 1.00 0.00 O ATOM 566 CG2 THR A 41 17.770 3.595 4.964 1.00 0.00 C ATOM 0 H THR A 41 14.698 2.065 4.896 1.00 0.00 H new ATOM 0 HA THR A 41 17.371 1.181 4.039 1.00 0.00 H new ATOM 0 HB THR A 41 17.979 2.028 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.445 2.239 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.136 4.369 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.594 3.227 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.997 4.012 4.319 1.00 0.00 H new ATOM 574 N GLN A 42 17.472 -0.870 5.457 1.00 0.00 N ATOM 575 CA GLN A 42 17.458 -2.146 6.163 1.00 0.00 C ATOM 576 C GLN A 42 16.869 -1.988 7.561 1.00 0.00 C ATOM 577 O GLN A 42 16.114 -2.841 8.027 1.00 0.00 O ATOM 578 CB GLN A 42 18.874 -2.718 6.255 1.00 0.00 C ATOM 579 CG GLN A 42 19.400 -3.254 4.933 1.00 0.00 C ATOM 580 CD GLN A 42 20.493 -4.287 5.117 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.509 -4.026 5.761 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.291 -5.471 4.549 1.00 0.00 N ATOM 0 H GLN A 42 18.256 -0.751 4.816 1.00 0.00 H new ATOM 0 HA GLN A 42 16.831 -2.837 5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.548 -1.941 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.886 -3.520 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.577 -3.697 4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.784 -2.426 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.434 -5.645 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.993 -6.206 4.638 1.00 0.00 H new ATOM 591 N SER A 43 17.220 -0.891 8.225 1.00 0.00 N ATOM 592 CA SER A 43 16.730 -0.624 9.572 1.00 0.00 C ATOM 593 C SER A 43 15.205 -0.571 9.595 1.00 0.00 C ATOM 594 O SER A 43 14.555 -1.386 10.250 1.00 0.00 O ATOM 595 CB SER A 43 17.304 0.694 10.095 1.00 0.00 C ATOM 596 OG SER A 43 17.252 0.748 11.510 1.00 0.00 O ATOM 0 H SER A 43 17.842 -0.173 7.852 1.00 0.00 H new ATOM 0 HA SER A 43 17.059 -1.438 10.219 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.336 0.802 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.744 1.530 9.675 1.00 0.00 H new ATOM 0 HG SER A 43 17.626 1.599 11.819 1.00 0.00 H new ATOM 602 N GLU A 44 14.642 0.393 8.874 1.00 0.00 N ATOM 603 CA GLU A 44 13.193 0.553 8.812 1.00 0.00 C ATOM 604 C GLU A 44 12.809 1.649 7.823 1.00 0.00 C ATOM 605 O GLU A 44 13.671 2.262 7.192 1.00 0.00 O ATOM 606 CB GLU A 44 12.635 0.882 10.198 1.00 0.00 C ATOM 607 CG GLU A 44 13.379 2.003 10.904 1.00 0.00 C ATOM 608 CD GLU A 44 13.339 1.869 12.414 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.225 1.858 12.979 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.420 1.776 13.031 1.00 0.00 O ATOM 0 H GLU A 44 15.166 1.075 8.325 1.00 0.00 H new ATOM 0 HA GLU A 44 12.763 -0.388 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.585 1.159 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.673 -0.014 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.417 2.011 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.944 2.960 10.616 1.00 0.00 H new ATOM 617 N LEU A 45 11.509 1.891 7.693 1.00 0.00 N ATOM 618 CA LEU A 45 11.009 2.913 6.780 1.00 0.00 C ATOM 619 C LEU A 45 10.954 4.275 7.465 1.00 0.00 C ATOM 620 O LEU A 45 10.265 4.449 8.470 1.00 0.00 O ATOM 621 CB LEU A 45 9.619 2.531 6.268 1.00 0.00 C ATOM 622 CG LEU A 45 9.583 1.612 5.047 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.222 0.943 4.922 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.914 2.391 3.783 1.00 0.00 C ATOM 0 H LEU A 45 10.782 1.394 8.208 1.00 0.00 H new ATOM 0 HA LEU A 45 11.695 2.979 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.076 2.046 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.079 3.446 6.025 1.00 0.00 H new ATOM 0 HG LEU A 45 10.336 0.835 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.215 0.293 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.024 0.351 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.450 1.705 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.884 1.721 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.185 3.189 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.911 2.822 3.872 1.00 0.00 H new ATOM 636 N VAL A 46 11.684 5.239 6.913 1.00 0.00 N ATOM 637 CA VAL A 46 11.716 6.587 7.468 1.00 0.00 C ATOM 638 C VAL A 46 11.109 7.595 6.499 1.00 0.00 C ATOM 639 O VAL A 46 11.341 7.529 5.291 1.00 0.00 O ATOM 640 CB VAL A 46 13.155 7.019 7.808 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.159 8.393 8.461 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.822 5.990 8.707 1.00 0.00 C ATOM 0 H VAL A 46 12.261 5.111 6.082 1.00 0.00 H new ATOM 0 HA VAL A 46 11.125 6.567 8.383 1.00 0.00 H new ATOM 0 HB VAL A 46 13.726 7.082 6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.184 8.682 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.723 9.122 7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.573 8.361 9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.838 6.312 8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.254 5.893 9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.853 5.027 8.197 1.00 0.00 H new ATOM 652 N LEU A 47 10.331 8.528 7.036 1.00 0.00 N ATOM 653 CA LEU A 47 9.690 9.553 6.218 1.00 0.00 C ATOM 654 C LEU A 47 10.300 10.925 6.488 1.00 0.00 C ATOM 655 O LEU A 47 10.404 11.355 7.637 1.00 0.00 O ATOM 656 CB LEU A 47 8.186 9.587 6.495 1.00 0.00 C ATOM 657 CG LEU A 47 7.325 8.654 5.643 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.883 8.671 6.124 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.404 9.048 4.175 1.00 0.00 C ATOM 0 H LEU A 47 10.128 8.596 8.033 1.00 0.00 H new ATOM 0 HA LEU A 47 9.855 9.303 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.025 9.340 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.833 10.608 6.350 1.00 0.00 H new ATOM 0 HG LEU A 47 7.709 7.639 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.285 8.001 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.842 8.340 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.487 9.684 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.785 8.373 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.046 10.070 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.438 8.983 3.836 1.00 0.00 H new ATOM 671 N HIS A 48 10.699 11.609 5.421 1.00 0.00 N ATOM 672 CA HIS A 48 11.296 12.935 5.542 1.00 0.00 C ATOM 673 C HIS A 48 10.316 14.015 5.095 1.00 0.00 C ATOM 674 O HIS A 48 9.795 13.972 3.979 1.00 0.00 O ATOM 675 CB HIS A 48 12.578 13.018 4.713 1.00 0.00 C ATOM 676 CG HIS A 48 13.607 11.999 5.096 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.588 12.237 6.036 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.802 10.732 4.663 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.344 11.161 6.162 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.888 10.233 5.341 1.00 0.00 N ATOM 0 H HIS A 48 10.620 11.268 4.463 1.00 0.00 H new ATOM 0 HA HIS A 48 11.540 13.102 6.591 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.328 12.892 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.007 14.014 4.822 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.214 10.210 3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.191 11.058 6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.278 9.297 5.228 1.00 0.00 H new ATOM 689 N LEU A 49 10.069 14.982 5.971 1.00 0.00 N ATOM 690 CA LEU A 49 9.150 16.074 5.667 1.00 0.00 C ATOM 691 C LEU A 49 9.798 17.425 5.950 1.00 0.00 C ATOM 692 O LEU A 49 10.888 17.497 6.519 1.00 0.00 O ATOM 693 CB LEU A 49 7.866 15.930 6.486 1.00 0.00 C ATOM 694 CG LEU A 49 6.989 14.723 6.151 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.402 13.517 6.981 1.00 0.00 C ATOM 696 CD2 LEU A 49 5.521 15.051 6.379 1.00 0.00 C ATOM 0 H LEU A 49 10.492 15.033 6.898 1.00 0.00 H new ATOM 0 HA LEU A 49 8.904 16.024 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.136 15.877 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.271 16.834 6.354 1.00 0.00 H new ATOM 0 HG LEU A 49 7.127 14.479 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.767 12.667 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.442 13.268 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.293 13.750 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.912 14.181 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.367 15.321 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.232 15.886 5.741 1.00 0.00 H new ATOM 789 N ALA A 54 9.495 13.860 11.194 1.00 0.00 N ATOM 790 CA ALA A 54 9.821 12.609 10.522 1.00 0.00 C ATOM 791 C ALA A 54 9.337 11.409 11.331 1.00 0.00 C ATOM 792 O ALA A 54 9.488 11.370 12.552 1.00 0.00 O ATOM 793 CB ALA A 54 11.320 12.515 10.280 1.00 0.00 C ATOM 0 HA ALA A 54 9.308 12.597 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.549 11.575 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.641 13.348 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.846 12.554 11.234 1.00 0.00 H new ATOM 799 N VAL A 55 8.754 10.433 10.642 1.00 0.00 N ATOM 800 CA VAL A 55 8.249 9.233 11.296 1.00 0.00 C ATOM 801 C VAL A 55 8.997 7.992 10.823 1.00 0.00 C ATOM 802 O VAL A 55 9.630 8.002 9.766 1.00 0.00 O ATOM 803 CB VAL A 55 6.743 9.042 11.033 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.221 7.821 11.777 1.00 0.00 C ATOM 805 CG2 VAL A 55 5.971 10.290 11.433 1.00 0.00 C ATOM 0 H VAL A 55 8.620 10.451 9.631 1.00 0.00 H new ATOM 0 HA VAL A 55 8.410 9.365 12.366 1.00 0.00 H new ATOM 0 HB VAL A 55 6.596 8.877 9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.156 7.702 11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.754 6.933 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.379 7.952 12.848 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.909 10.138 11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.123 10.487 12.494 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.327 11.140 10.851 1.00 0.00 H new ATOM 815 N ARG A 56 8.921 6.924 11.611 1.00 0.00 N ATOM 816 CA ARG A 56 9.592 5.675 11.272 1.00 0.00 C ATOM 817 C ARG A 56 8.671 4.482 11.508 1.00 0.00 C ATOM 818 O ARG A 56 7.717 4.565 12.281 1.00 0.00 O ATOM 819 CB ARG A 56 10.870 5.518 12.099 1.00 0.00 C ATOM 820 CG ARG A 56 11.837 6.682 11.953 1.00 0.00 C ATOM 821 CD ARG A 56 11.573 7.759 12.994 1.00 0.00 C ATOM 822 NE ARG A 56 11.723 7.252 14.355 1.00 0.00 N ATOM 823 CZ ARG A 56 11.977 8.026 15.404 1.00 0.00 C ATOM 824 NH1 ARG A 56 12.109 9.337 15.249 1.00 0.00 N ATOM 825 NH2 ARG A 56 12.099 7.491 16.612 1.00 0.00 N ATOM 0 H ARG A 56 8.401 6.899 12.488 1.00 0.00 H new ATOM 0 HA ARG A 56 9.853 5.707 10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.602 5.409 13.150 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.374 4.598 11.802 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.861 6.321 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.746 7.109 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.261 8.590 12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.565 8.151 12.862 1.00 0.00 H new ATOM 0 HE ARG A 56 11.627 6.248 14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.015 9.753 14.322 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.304 9.929 16.056 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.998 6.484 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.294 8.087 17.416 1.00 0.00 H new ATOM 839 N TRP A 57 8.963 3.374 10.837 1.00 0.00 N ATOM 840 CA TRP A 57 8.161 2.164 10.973 1.00 0.00 C ATOM 841 C TRP A 57 9.019 0.918 10.783 1.00 0.00 C ATOM 842 O TRP A 57 9.507 0.632 9.690 1.00 0.00 O ATOM 843 CB TRP A 57 7.016 2.169 9.959 1.00 0.00 C ATOM 844 CG TRP A 57 5.977 3.212 10.242 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.900 3.092 11.072 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.916 4.533 9.692 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.173 4.258 11.072 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.776 5.158 10.234 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.715 5.249 8.796 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.417 6.463 9.907 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.357 6.544 8.473 1.00 0.00 C ATOM 852 CH2 TRP A 57 5.217 7.140 9.028 1.00 0.00 C ATOM 0 H TRP A 57 9.749 3.288 10.193 1.00 0.00 H new ATOM 0 HA TRP A 57 7.745 2.146 11.980 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.424 2.334 8.962 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.543 1.187 9.951 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.655 2.210 11.645 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.322 4.426 11.609 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.596 4.798 8.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.538 6.924 10.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.966 7.106 7.781 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.965 8.154 8.756 1.00 0.00 H new ATOM 863 N PRO A 58 9.208 0.156 11.871 1.00 0.00 N ATOM 864 CA PRO A 58 10.007 -1.072 11.848 1.00 0.00 C ATOM 865 C PRO A 58 9.329 -2.190 11.064 1.00 0.00 C ATOM 866 O PRO A 58 8.168 -2.519 11.310 1.00 0.00 O ATOM 867 CB PRO A 58 10.120 -1.449 13.328 1.00 0.00 C ATOM 868 CG PRO A 58 8.924 -0.832 13.968 1.00 0.00 C ATOM 869 CD PRO A 58 8.656 0.436 13.207 1.00 0.00 C ATOM 0 HA PRO A 58 10.969 -0.924 11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.127 -2.531 13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.043 -1.068 13.764 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.067 -1.503 13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.109 -0.623 15.022 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.590 0.660 13.162 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.143 1.294 13.671 1.00 0.00 H new ATOM 877 N TYR A 59 10.060 -2.772 10.120 1.00 0.00 N ATOM 878 CA TYR A 59 9.528 -3.852 9.297 1.00 0.00 C ATOM 879 C TYR A 59 8.742 -4.847 10.147 1.00 0.00 C ATOM 880 O TYR A 59 7.780 -5.457 9.678 1.00 0.00 O ATOM 881 CB TYR A 59 10.663 -4.572 8.568 1.00 0.00 C ATOM 882 CG TYR A 59 11.393 -3.699 7.572 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.703 -2.798 6.772 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.774 -3.776 7.433 1.00 0.00 C ATOM 885 CE1 TYR A 59 11.366 -1.999 5.860 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.445 -2.980 6.525 1.00 0.00 C ATOM 887 CZ TYR A 59 12.737 -2.094 5.741 1.00 0.00 C ATOM 888 OH TYR A 59 13.401 -1.299 4.835 1.00 0.00 O ATOM 0 H TYR A 59 11.023 -2.514 9.905 1.00 0.00 H new ATOM 0 HA TYR A 59 8.852 -3.416 8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.376 -4.945 9.303 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.257 -5.440 8.049 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.630 -2.720 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.332 -4.470 8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.814 -1.304 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.518 -3.051 6.430 1.00 0.00 H new ATOM 0 HH TYR A 59 14.094 -0.784 5.298 1.00 0.00 H new ATOM 898 N LEU A 60 9.159 -5.004 11.398 1.00 0.00 N ATOM 899 CA LEU A 60 8.495 -5.924 12.315 1.00 0.00 C ATOM 900 C LEU A 60 7.025 -5.555 12.487 1.00 0.00 C ATOM 901 O LEU A 60 6.135 -6.355 12.193 1.00 0.00 O ATOM 902 CB LEU A 60 9.196 -5.915 13.675 1.00 0.00 C ATOM 903 CG LEU A 60 9.353 -7.274 14.358 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.004 -7.788 14.838 1.00 0.00 C ATOM 905 CD2 LEU A 60 10.002 -8.275 13.413 1.00 0.00 C ATOM 0 H LEU A 60 9.953 -4.507 11.801 1.00 0.00 H new ATOM 0 HA LEU A 60 8.552 -6.926 11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.186 -5.478 13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.641 -5.257 14.343 1.00 0.00 H new ATOM 0 HG LEU A 60 10.002 -7.151 15.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.135 -8.756 15.322 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.578 -7.081 15.550 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.332 -7.895 13.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.106 -9.236 13.916 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.379 -8.395 12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.987 -7.912 13.118 1.00 0.00 H new ATOM 917 N CYS A 61 6.777 -4.339 12.962 1.00 0.00 N ATOM 918 CA CYS A 61 5.414 -3.864 13.172 1.00 0.00 C ATOM 919 C CYS A 61 4.606 -3.942 11.880 1.00 0.00 C ATOM 920 O CYS A 61 3.433 -4.315 11.890 1.00 0.00 O ATOM 921 CB CYS A 61 5.428 -2.426 13.693 1.00 0.00 C ATOM 922 SG CYS A 61 5.951 -2.270 15.416 1.00 0.00 S ATOM 0 H CYS A 61 7.501 -3.665 13.209 1.00 0.00 H new ATOM 0 HA CYS A 61 4.941 -4.507 13.914 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.093 -1.831 13.067 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.429 -2.003 13.588 1.00 0.00 H new ATOM 0 HG CYS A 61 6.339 -1.050 15.643 1.00 0.00 H new ATOM 928 N LEU A 62 5.241 -3.585 10.769 1.00 0.00 N ATOM 929 CA LEU A 62 4.582 -3.613 9.468 1.00 0.00 C ATOM 930 C LEU A 62 3.778 -4.897 9.293 1.00 0.00 C ATOM 931 O LEU A 62 4.341 -5.968 9.069 1.00 0.00 O ATOM 932 CB LEU A 62 5.616 -3.488 8.348 1.00 0.00 C ATOM 933 CG LEU A 62 5.992 -2.064 7.937 1.00 0.00 C ATOM 934 CD1 LEU A 62 7.134 -2.081 6.933 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.785 -1.338 7.361 1.00 0.00 C ATOM 0 H LEU A 62 6.212 -3.273 10.743 1.00 0.00 H new ATOM 0 HA LEU A 62 3.896 -2.767 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.523 -4.006 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.236 -4.010 7.470 1.00 0.00 H new ATOM 0 HG LEU A 62 6.324 -1.527 8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.387 -1.059 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.005 -2.561 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.830 -2.636 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.072 -0.326 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.422 -1.875 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.996 -1.292 8.111 1.00 0.00 H new ATOM 947 N ARG A 63 2.458 -4.781 9.394 1.00 0.00 N ATOM 948 CA ARG A 63 1.576 -5.932 9.246 1.00 0.00 C ATOM 949 C ARG A 63 1.537 -6.404 7.795 1.00 0.00 C ATOM 950 O ARG A 63 1.757 -7.581 7.508 1.00 0.00 O ATOM 951 CB ARG A 63 0.163 -5.584 9.718 1.00 0.00 C ATOM 952 CG ARG A 63 -0.037 -5.751 11.215 1.00 0.00 C ATOM 953 CD ARG A 63 -1.475 -6.117 11.547 1.00 0.00 C ATOM 954 NE ARG A 63 -1.709 -7.556 11.458 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.161 -8.442 12.281 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.352 -8.039 13.251 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.422 -9.735 12.136 1.00 0.00 N ATOM 0 H ARG A 63 1.976 -3.901 9.578 1.00 0.00 H new ATOM 0 HA ARG A 63 1.969 -6.740 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.059 -4.553 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.553 -6.216 9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.632 -6.526 11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.231 -4.825 11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.713 -5.773 12.553 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.148 -5.598 10.865 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.328 -7.899 10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.149 -7.046 13.366 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.068 -8.722 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.044 -10.049 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.000 -10.415 12.769 1.00 0.00 H new ATOM 971 N ARG A 64 1.255 -5.477 6.885 1.00 0.00 N ATOM 972 CA ARG A 64 1.186 -5.798 5.464 1.00 0.00 C ATOM 973 C ARG A 64 1.512 -4.574 4.614 1.00 0.00 C ATOM 974 O ARG A 64 1.364 -3.437 5.062 1.00 0.00 O ATOM 975 CB ARG A 64 -0.205 -6.326 5.106 1.00 0.00 C ATOM 976 CG ARG A 64 -1.197 -5.232 4.745 1.00 0.00 C ATOM 977 CD ARG A 64 -2.505 -5.813 4.231 1.00 0.00 C ATOM 978 NE ARG A 64 -3.405 -6.182 5.320 1.00 0.00 N ATOM 979 CZ ARG A 64 -4.176 -5.311 5.963 1.00 0.00 C ATOM 980 NH1 ARG A 64 -4.156 -4.029 5.628 1.00 0.00 N ATOM 981 NH2 ARG A 64 -4.969 -5.724 6.944 1.00 0.00 N ATOM 0 H ARG A 64 1.071 -4.498 7.106 1.00 0.00 H new ATOM 0 HA ARG A 64 1.925 -6.571 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.117 -7.017 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.596 -6.896 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.392 -4.613 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.763 -4.582 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.996 -5.085 3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.296 -6.691 3.620 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.444 -7.161 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.548 -3.708 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.749 -3.363 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.987 -6.710 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.561 -5.055 7.437 1.00 0.00 H new ATOM 995 N TYR A 65 1.956 -4.816 3.385 1.00 0.00 N ATOM 996 CA TYR A 65 2.306 -3.734 2.473 1.00 0.00 C ATOM 997 C TYR A 65 1.776 -4.012 1.069 1.00 0.00 C ATOM 998 O TYR A 65 2.124 -5.016 0.450 1.00 0.00 O ATOM 999 CB TYR A 65 3.824 -3.546 2.429 1.00 0.00 C ATOM 1000 CG TYR A 65 4.587 -4.834 2.219 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.738 -5.751 3.253 1.00 0.00 C ATOM 1002 CD2 TYR A 65 5.158 -5.134 0.989 1.00 0.00 C ATOM 1003 CE1 TYR A 65 5.436 -6.929 3.066 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.856 -6.310 0.793 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.992 -7.204 1.834 1.00 0.00 C ATOM 1006 OH TYR A 65 6.688 -8.376 1.643 1.00 0.00 O ATOM 0 H TYR A 65 2.082 -5.751 2.998 1.00 0.00 H new ATOM 0 HA TYR A 65 1.844 -2.818 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.073 -2.851 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.152 -3.087 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.303 -5.539 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.055 -4.436 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.546 -7.630 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.293 -6.528 -0.170 1.00 0.00 H new ATOM 0 HH TYR A 65 6.058 -9.124 1.582 1.00 0.00 H new ATOM 1016 N GLY A 66 0.932 -3.112 0.574 1.00 0.00 N ATOM 1017 CA GLY A 66 0.367 -3.276 -0.753 1.00 0.00 C ATOM 1018 C GLY A 66 0.689 -2.112 -1.669 1.00 0.00 C ATOM 1019 O GLY A 66 1.053 -1.031 -1.206 1.00 0.00 O ATOM 0 H GLY A 66 0.629 -2.272 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.747 -4.197 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.715 -3.383 -0.673 1.00 0.00 H new ATOM 1023 N TYR A 67 0.558 -2.333 -2.972 1.00 0.00 N ATOM 1024 CA TYR A 67 0.841 -1.295 -3.956 1.00 0.00 C ATOM 1025 C TYR A 67 -0.357 -1.072 -4.874 1.00 0.00 C ATOM 1026 O TYR A 67 -1.305 -1.857 -4.876 1.00 0.00 O ATOM 1027 CB TYR A 67 2.071 -1.670 -4.784 1.00 0.00 C ATOM 1028 CG TYR A 67 1.755 -2.556 -5.968 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.436 -2.009 -7.205 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.776 -3.941 -5.850 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.146 -2.815 -8.289 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.489 -4.754 -6.929 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.175 -4.186 -8.146 1.00 0.00 C ATOM 1034 OH TYR A 67 0.887 -4.993 -9.223 1.00 0.00 O ATOM 0 H TYR A 67 0.257 -3.222 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 67 1.041 -0.367 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.551 -0.758 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.790 -2.178 -4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.414 -0.935 -7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.021 -4.389 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.898 -2.374 -9.243 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.510 -5.828 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 67 1.663 -5.031 -9.820 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.304 0.002 -5.653 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.383 0.329 -6.578 1.00 0.00 C ATOM 1046 C ASP A 68 -0.966 1.450 -7.526 1.00 0.00 C ATOM 1047 O ASP A 68 0.177 1.906 -7.498 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.639 0.737 -5.807 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.912 0.258 -6.477 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.054 -0.968 -6.673 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.766 1.108 -6.805 1.00 0.00 O ATOM 0 H ASP A 68 0.474 0.661 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.602 -0.560 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.589 0.331 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.668 1.823 -5.714 1.00 0.00 H new ATOM 1056 N SER A 69 -1.901 1.888 -8.363 1.00 0.00 N ATOM 1057 CA SER A 69 -1.629 2.952 -9.323 1.00 0.00 C ATOM 1058 C SER A 69 -1.470 4.294 -8.615 1.00 0.00 C ATOM 1059 O SER A 69 -2.362 4.736 -7.893 1.00 0.00 O ATOM 1060 CB SER A 69 -2.755 3.037 -10.355 1.00 0.00 C ATOM 1061 OG SER A 69 -2.511 4.071 -11.292 1.00 0.00 O ATOM 0 H SER A 69 -2.853 1.523 -8.396 1.00 0.00 H new ATOM 0 HA SER A 69 -0.695 2.717 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.848 2.084 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.703 3.217 -9.849 1.00 0.00 H new ATOM 0 HG SER A 69 -2.659 4.941 -10.865 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.327 4.937 -8.829 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.049 6.229 -8.211 1.00 0.00 C ATOM 1069 C ASN A 70 -0.564 6.267 -6.776 1.00 0.00 C ATOM 1070 O ASN A 70 -0.859 7.336 -6.239 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.690 7.355 -9.026 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.202 7.249 -9.068 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -2.766 6.620 -9.964 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.866 7.866 -8.098 1.00 0.00 N ATOM 0 H ASN A 70 0.422 4.585 -9.425 1.00 0.00 H new ATOM 0 HA ASN A 70 1.031 6.372 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.408 8.316 -8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.298 7.332 -10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.885 7.830 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.357 8.376 -7.376 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.671 5.095 -6.160 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.150 4.994 -4.785 1.00 0.00 C ATOM 1083 C LEU A 71 -0.300 4.014 -3.983 1.00 0.00 C ATOM 1084 O LEU A 71 -0.093 2.873 -4.397 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.614 4.552 -4.766 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.473 5.124 -3.638 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.128 4.459 -2.314 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.293 6.632 -3.542 1.00 0.00 C ATOM 0 H LEU A 71 -0.433 4.201 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.068 5.978 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.068 4.828 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.644 3.464 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.519 4.917 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.749 4.879 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.309 3.387 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.078 4.634 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.912 7.022 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.247 6.861 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.591 7.095 -4.483 1.00 0.00 H new ATOM 1100 N PHE A 72 0.188 4.466 -2.833 1.00 0.00 N ATOM 1101 CA PHE A 72 1.014 3.628 -1.971 1.00 0.00 C ATOM 1102 C PHE A 72 0.609 3.785 -0.509 1.00 0.00 C ATOM 1103 O PHE A 72 0.723 4.868 0.066 1.00 0.00 O ATOM 1104 CB PHE A 72 2.492 3.985 -2.143 1.00 0.00 C ATOM 1105 CG PHE A 72 3.404 3.219 -1.228 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.420 1.833 -1.245 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.246 3.884 -0.351 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.258 1.126 -0.403 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.086 3.182 0.493 1.00 0.00 C ATOM 1110 CZ PHE A 72 5.093 1.801 0.466 1.00 0.00 C ATOM 0 H PHE A 72 0.026 5.408 -2.476 1.00 0.00 H new ATOM 0 HA PHE A 72 0.861 2.589 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.785 3.797 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.623 5.052 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.771 1.300 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.246 4.964 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.260 0.046 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.736 3.713 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.750 1.250 1.123 1.00 0.00 H new ATOM 1120 N SER A 73 0.133 2.696 0.087 1.00 0.00 N ATOM 1121 CA SER A 73 -0.294 2.713 1.481 1.00 0.00 C ATOM 1122 C SER A 73 0.118 1.427 2.191 1.00 0.00 C ATOM 1123 O SER A 73 0.357 0.401 1.554 1.00 0.00 O ATOM 1124 CB SER A 73 -1.811 2.893 1.570 1.00 0.00 C ATOM 1125 OG SER A 73 -2.256 2.818 2.913 1.00 0.00 O ATOM 0 H SER A 73 0.034 1.791 -0.374 1.00 0.00 H new ATOM 0 HA SER A 73 0.195 3.553 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.092 3.856 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.307 2.125 0.976 1.00 0.00 H new ATOM 0 HG SER A 73 -1.648 3.328 3.488 1.00 0.00 H new ATOM 1131 N PHE A 74 0.200 1.490 3.516 1.00 0.00 N ATOM 1132 CA PHE A 74 0.585 0.332 4.314 1.00 0.00 C ATOM 1133 C PHE A 74 -0.155 0.321 5.649 1.00 0.00 C ATOM 1134 O PHE A 74 -0.447 1.373 6.217 1.00 0.00 O ATOM 1135 CB PHE A 74 2.096 0.332 4.556 1.00 0.00 C ATOM 1136 CG PHE A 74 2.640 1.674 4.953 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.572 2.103 6.269 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.218 2.509 4.010 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.072 3.337 6.638 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.719 3.744 4.372 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.646 4.160 5.688 1.00 0.00 C ATOM 0 H PHE A 74 0.005 2.331 4.060 1.00 0.00 H new ATOM 0 HA PHE A 74 0.313 -0.566 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.331 -0.392 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.601 -0.002 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.123 1.465 7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.277 2.190 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.014 3.658 7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.168 4.384 3.627 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.037 5.126 5.973 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.456 -0.876 6.142 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.163 -1.023 7.409 1.00 0.00 C ATOM 1153 C GLU A 75 -0.224 -1.528 8.501 1.00 0.00 C ATOM 1154 O GLU A 75 0.565 -2.446 8.281 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.342 -1.986 7.251 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.376 -1.869 8.359 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.068 -2.769 9.540 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -2.817 -3.972 9.321 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -3.079 -2.269 10.684 1.00 0.00 O ATOM 0 H GLU A 75 -0.222 -1.757 5.684 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.539 -0.043 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.826 -1.800 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.964 -3.008 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.424 -0.834 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.359 -2.121 7.962 1.00 0.00 H new ATOM 1166 N SER A 76 -0.316 -0.919 9.679 1.00 0.00 N ATOM 1167 CA SER A 76 0.528 -1.303 10.805 1.00 0.00 C ATOM 1168 C SER A 76 -0.278 -1.338 12.100 1.00 0.00 C ATOM 1169 O SER A 76 -1.099 -0.460 12.358 1.00 0.00 O ATOM 1170 CB SER A 76 1.699 -0.329 10.947 1.00 0.00 C ATOM 1171 OG SER A 76 2.642 -0.510 9.904 1.00 0.00 O ATOM 0 H SER A 76 -0.966 -0.158 9.879 1.00 0.00 H new ATOM 0 HA SER A 76 0.917 -2.303 10.612 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.328 0.696 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.185 -0.478 11.911 1.00 0.00 H new ATOM 0 HG SER A 76 3.380 0.125 10.016 1.00 0.00 H new ATOM 1177 N GLY A 77 -0.035 -2.363 12.913 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.745 -2.496 14.171 1.00 0.00 C ATOM 1179 C GLY A 77 -0.356 -1.426 15.172 1.00 0.00 C ATOM 1180 O GLY A 77 0.694 -0.796 15.042 1.00 0.00 O ATOM 0 H GLY A 77 0.641 -3.103 12.722 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.818 -2.444 13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.542 -3.479 14.597 1.00 0.00 H new ATOM 1184 N ARG A 78 -1.205 -1.217 16.173 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.946 -0.214 17.198 1.00 0.00 C ATOM 1186 C ARG A 78 0.479 -0.335 17.731 1.00 0.00 C ATOM 1187 O ARG A 78 1.059 0.640 18.208 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.945 -0.358 18.348 1.00 0.00 C ATOM 1189 CG ARG A 78 -1.760 -1.630 19.160 1.00 0.00 C ATOM 1190 CD ARG A 78 -2.440 -2.818 18.497 1.00 0.00 C ATOM 1191 NE ARG A 78 -2.534 -3.966 19.395 1.00 0.00 N ATOM 1192 CZ ARG A 78 -3.441 -4.927 19.267 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -4.328 -4.879 18.282 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -3.463 -5.940 20.124 1.00 0.00 N ATOM 0 H ARG A 78 -2.078 -1.729 16.296 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.064 0.770 16.744 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.850 0.503 19.010 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.957 -0.339 17.943 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.696 -1.837 19.277 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.169 -1.487 20.160 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.440 -2.529 18.172 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.884 -3.101 17.603 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.866 -4.033 20.163 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.314 -4.103 17.621 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.024 -5.619 18.186 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.782 -5.981 20.883 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.161 -6.677 20.024 1.00 0.00 H new ATOM 1208 N ARG A 79 1.036 -1.539 17.645 1.00 0.00 N ATOM 1209 CA ARG A 79 2.392 -1.788 18.120 1.00 0.00 C ATOM 1210 C ARG A 79 3.363 -0.753 17.560 1.00 0.00 C ATOM 1211 O ARG A 79 4.440 -0.534 18.115 1.00 0.00 O ATOM 1212 CB ARG A 79 2.844 -3.194 17.721 1.00 0.00 C ATOM 1213 CG ARG A 79 2.605 -3.519 16.256 1.00 0.00 C ATOM 1214 CD ARG A 79 2.527 -5.019 16.023 1.00 0.00 C ATOM 1215 NE ARG A 79 1.219 -5.562 16.378 1.00 0.00 N ATOM 1216 CZ ARG A 79 1.003 -6.845 16.647 1.00 0.00 C ATOM 1217 NH1 ARG A 79 2.005 -7.712 16.602 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -0.216 -7.262 16.963 1.00 0.00 N ATOM 0 H ARG A 79 0.570 -2.356 17.251 1.00 0.00 H new ATOM 0 HA ARG A 79 2.390 -1.708 19.207 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.907 -3.300 17.939 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.318 -3.924 18.337 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.679 -3.050 15.925 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.409 -3.098 15.653 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.736 -5.234 14.975 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.298 -5.517 16.611 1.00 0.00 H new ATOM 0 HE ARG A 79 0.427 -4.921 16.422 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.944 -7.394 16.361 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.837 -8.697 16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.989 -6.597 17.000 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.380 -8.247 17.169 1.00 0.00 H new ATOM 1232 N CYS A 80 2.974 -0.120 16.459 1.00 0.00 N ATOM 1233 CA CYS A 80 3.811 0.892 15.823 1.00 0.00 C ATOM 1234 C CYS A 80 3.805 2.187 16.628 1.00 0.00 C ATOM 1235 O CYS A 80 2.967 2.376 17.510 1.00 0.00 O ATOM 1236 CB CYS A 80 3.327 1.162 14.397 1.00 0.00 C ATOM 1237 SG CYS A 80 1.618 1.744 14.296 1.00 0.00 S ATOM 0 H CYS A 80 2.085 -0.289 15.988 1.00 0.00 H new ATOM 0 HA CYS A 80 4.832 0.512 15.787 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.980 1.904 13.937 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.423 0.247 13.813 1.00 0.00 H new ATOM 0 HG CYS A 80 0.808 0.751 14.514 1.00 0.00 H new ATOM 1243 N GLN A 81 4.746 3.074 16.320 1.00 0.00 N ATOM 1244 CA GLN A 81 4.850 4.350 17.018 1.00 0.00 C ATOM 1245 C GLN A 81 3.566 5.159 16.868 1.00 0.00 C ATOM 1246 O GLN A 81 2.824 5.350 17.832 1.00 0.00 O ATOM 1247 CB GLN A 81 6.037 5.152 16.482 1.00 0.00 C ATOM 1248 CG GLN A 81 5.962 6.637 16.802 1.00 0.00 C ATOM 1249 CD GLN A 81 7.263 7.361 16.519 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.330 6.947 16.975 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.183 8.450 15.763 1.00 0.00 N ATOM 0 H GLN A 81 5.447 2.933 15.592 1.00 0.00 H new ATOM 0 HA GLN A 81 5.007 4.145 18.077 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.958 4.745 16.899 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.093 5.024 15.401 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.163 7.091 16.216 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.700 6.766 17.852 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.278 8.758 15.406 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.026 8.979 15.539 1.00 0.00 H new ATOM 1260 N THR A 82 3.308 5.632 15.653 1.00 0.00 N ATOM 1261 CA THR A 82 2.114 6.421 15.377 1.00 0.00 C ATOM 1262 C THR A 82 0.875 5.776 15.988 1.00 0.00 C ATOM 1263 O THR A 82 0.013 6.461 16.536 1.00 0.00 O ATOM 1264 CB THR A 82 1.895 6.597 13.863 1.00 0.00 C ATOM 1265 OG1 THR A 82 1.729 5.318 13.240 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.067 7.329 13.227 1.00 0.00 C ATOM 0 H THR A 82 3.911 5.482 14.844 1.00 0.00 H new ATOM 0 HA THR A 82 2.270 7.400 15.830 1.00 0.00 H new ATOM 0 HB THR A 82 0.994 7.192 13.716 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.223 5.423 12.408 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.889 7.441 12.158 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.171 8.314 13.683 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.982 6.757 13.384 1.00 0.00 H new ATOM 1274 N GLY A 83 0.794 4.452 15.889 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.344 3.737 16.437 1.00 0.00 C ATOM 1276 C GLY A 83 -1.227 3.140 15.359 1.00 0.00 C ATOM 1277 O GLY A 83 -0.981 3.334 14.169 1.00 0.00 O ATOM 0 H GLY A 83 1.495 3.863 15.440 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.012 2.942 17.093 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.935 4.417 17.051 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.258 2.412 15.776 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.179 1.783 14.837 1.00 0.00 C ATOM 1283 C GLN A 84 -3.705 2.799 13.828 1.00 0.00 C ATOM 1284 O GLN A 84 -4.037 3.929 14.186 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.346 1.140 15.587 1.00 0.00 C ATOM 1286 CG GLN A 84 -5.007 0.003 14.824 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.459 -0.194 15.214 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.964 0.462 16.126 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -7.140 -1.101 14.523 1.00 0.00 N ATOM 0 H GLN A 84 -2.476 2.243 16.758 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.634 1.009 14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.988 0.764 16.545 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.093 1.904 15.803 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.946 0.204 13.754 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.457 -0.920 15.007 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.682 -1.622 13.775 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.121 -1.277 14.740 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.779 2.389 12.566 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.265 3.276 11.525 1.00 0.00 C ATOM 1300 C GLY A 85 -3.496 3.124 10.228 1.00 0.00 C ATOM 1301 O GLY A 85 -2.284 2.911 10.239 1.00 0.00 O ATOM 0 H GLY A 85 -3.511 1.458 12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.321 3.074 11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.192 4.308 11.868 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.202 3.233 9.107 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.578 3.105 7.796 1.00 0.00 C ATOM 1307 C ILE A 86 -3.199 4.471 7.233 1.00 0.00 C ATOM 1308 O ILE A 86 -3.935 5.445 7.391 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.506 2.390 6.797 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.853 0.988 7.303 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.853 2.317 5.425 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.029 0.361 6.588 1.00 0.00 C ATOM 0 H ILE A 86 -5.206 3.410 9.081 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.677 2.507 7.933 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.429 2.963 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.982 0.343 7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.072 1.039 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.522 1.809 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.652 3.326 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.916 1.764 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.218 -0.631 6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.913 0.984 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.806 0.277 5.524 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.047 4.534 6.573 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.570 5.780 5.984 1.00 0.00 C ATOM 1326 C PHE A 87 -1.255 5.596 4.503 1.00 0.00 C ATOM 1327 O PHE A 87 -0.470 4.725 4.128 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.326 6.275 6.725 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.402 6.092 8.214 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.190 6.927 8.989 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.315 5.083 8.838 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.262 6.761 10.359 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.246 4.912 10.208 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.542 5.752 10.969 1.00 0.00 C ATOM 0 H PHE A 87 -1.427 3.737 6.433 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.361 6.524 6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.548 5.745 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.178 7.332 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.755 7.717 8.517 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.934 4.424 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.880 7.419 10.952 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.808 4.122 10.683 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.596 5.621 12.040 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.873 6.422 3.665 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.657 6.352 2.225 1.00 0.00 C ATOM 1346 C ALA A 88 -0.788 7.509 1.743 1.00 0.00 C ATOM 1347 O ALA A 88 -0.684 8.539 2.409 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.990 6.349 1.492 1.00 0.00 C ATOM 0 H ALA A 88 -2.527 7.147 3.959 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.132 5.422 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.814 6.296 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.576 5.486 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.536 7.263 1.726 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.165 7.331 0.583 1.00 0.00 N ATOM 1355 CA PHE A 89 0.697 8.360 0.013 1.00 0.00 C ATOM 1356 C PHE A 89 0.755 8.240 -1.507 1.00 0.00 C ATOM 1357 O PHE A 89 0.868 7.142 -2.051 1.00 0.00 O ATOM 1358 CB PHE A 89 2.107 8.255 0.598 1.00 0.00 C ATOM 1359 CG PHE A 89 2.127 8.106 2.092 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.877 6.877 2.682 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.396 9.194 2.907 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.894 6.737 4.057 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.415 9.060 4.283 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.164 7.830 4.858 1.00 0.00 C ATOM 0 H PHE A 89 -0.241 6.484 0.019 1.00 0.00 H new ATOM 0 HA PHE A 89 0.277 9.333 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.615 7.402 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.673 9.145 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.667 6.019 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.593 10.158 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.696 5.774 4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.626 9.916 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.179 7.722 5.933 1.00 0.00 H new ATOM 1374 N LYS A 90 0.676 9.379 -2.187 1.00 0.00 N ATOM 1375 CA LYS A 90 0.719 9.405 -3.644 1.00 0.00 C ATOM 1376 C LYS A 90 2.159 9.396 -4.146 1.00 0.00 C ATOM 1377 O LYS A 90 2.935 10.305 -3.849 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.010 10.641 -4.175 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.494 10.420 -4.407 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.136 11.615 -5.091 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.557 11.305 -5.538 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.246 12.512 -6.073 1.00 0.00 N ATOM 0 H LYS A 90 0.582 10.297 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 90 0.219 8.510 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.120 11.461 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.453 10.951 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.639 9.529 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.989 10.236 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.145 12.465 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.537 11.906 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.536 10.530 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.124 10.906 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.125 12.227 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.471 13.159 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.624 12.994 -6.753 1.00 0.00 H new ATOM 1396 N CYS A 91 2.509 8.365 -4.908 1.00 0.00 N ATOM 1397 CA CYS A 91 3.857 8.239 -5.451 1.00 0.00 C ATOM 1398 C CYS A 91 3.814 7.869 -6.930 1.00 0.00 C ATOM 1399 O CYS A 91 2.751 7.578 -7.477 1.00 0.00 O ATOM 1400 CB CYS A 91 4.648 7.187 -4.672 1.00 0.00 C ATOM 1401 SG CYS A 91 6.438 7.439 -4.698 1.00 0.00 S ATOM 0 H CYS A 91 1.878 7.605 -5.163 1.00 0.00 H new ATOM 0 HA CYS A 91 4.354 9.204 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.307 7.185 -3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.425 6.202 -5.083 1.00 0.00 H new ATOM 0 HG CYS A 91 6.706 8.679 -4.416 1.00 0.00 H new ATOM 1407 N SER A 92 4.978 7.883 -7.572 1.00 0.00 N ATOM 1408 CA SER A 92 5.073 7.553 -8.990 1.00 0.00 C ATOM 1409 C SER A 92 5.481 6.096 -9.182 1.00 0.00 C ATOM 1410 O SER A 92 4.965 5.406 -10.062 1.00 0.00 O ATOM 1411 CB SER A 92 6.081 8.473 -9.682 1.00 0.00 C ATOM 1412 OG SER A 92 5.859 8.511 -11.081 1.00 0.00 O ATOM 0 H SER A 92 5.868 8.119 -7.133 1.00 0.00 H new ATOM 0 HA SER A 92 4.091 7.699 -9.439 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.002 9.479 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.094 8.125 -9.481 1.00 0.00 H new ATOM 0 HG SER A 92 6.515 9.107 -11.500 1.00 0.00 H new ATOM 1418 N ARG A 93 6.412 5.634 -8.354 1.00 0.00 N ATOM 1419 CA ARG A 93 6.892 4.260 -8.433 1.00 0.00 C ATOM 1420 C ARG A 93 6.407 3.445 -7.237 1.00 0.00 C ATOM 1421 O ARG A 93 7.209 2.895 -6.482 1.00 0.00 O ATOM 1422 CB ARG A 93 8.420 4.233 -8.497 1.00 0.00 C ATOM 1423 CG ARG A 93 9.001 5.135 -9.573 1.00 0.00 C ATOM 1424 CD ARG A 93 10.500 5.322 -9.395 1.00 0.00 C ATOM 1425 NE ARG A 93 11.165 5.642 -10.655 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.493 4.731 -11.564 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.218 3.451 -11.354 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.097 5.100 -12.687 1.00 0.00 N ATOM 0 H ARG A 93 6.849 6.192 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 93 6.490 3.813 -9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.821 4.532 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.750 3.210 -8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.801 4.707 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.506 6.106 -9.542 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.683 6.120 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.932 4.412 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 93 11.390 6.618 -10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.753 3.164 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.471 2.754 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.310 6.084 -12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.349 4.400 -13.385 1.00 0.00 H new ATOM 1442 N ALA A 94 5.091 3.373 -7.071 1.00 0.00 N ATOM 1443 CA ALA A 94 4.500 2.625 -5.969 1.00 0.00 C ATOM 1444 C ALA A 94 4.928 1.162 -6.006 1.00 0.00 C ATOM 1445 O ALA A 94 5.497 0.649 -5.043 1.00 0.00 O ATOM 1446 CB ALA A 94 2.983 2.734 -6.010 1.00 0.00 C ATOM 0 H ALA A 94 4.414 3.824 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 94 4.859 3.058 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.555 2.170 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.691 3.781 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.614 2.329 -6.952 1.00 0.00 H new ATOM 1452 N GLU A 95 4.650 0.497 -7.122 1.00 0.00 N ATOM 1453 CA GLU A 95 5.006 -0.908 -7.283 1.00 0.00 C ATOM 1454 C GLU A 95 6.462 -1.148 -6.895 1.00 0.00 C ATOM 1455 O GLU A 95 6.758 -1.982 -6.040 1.00 0.00 O ATOM 1456 CB GLU A 95 4.771 -1.355 -8.727 1.00 0.00 C ATOM 1457 CG GLU A 95 4.702 -2.864 -8.894 1.00 0.00 C ATOM 1458 CD GLU A 95 3.805 -3.284 -10.042 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.041 -2.430 -10.539 1.00 0.00 O ATOM 1460 OE2 GLU A 95 3.868 -4.464 -10.443 1.00 0.00 O ATOM 0 H GLU A 95 4.179 0.908 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 95 4.370 -1.495 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.841 -0.915 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.573 -0.965 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.706 -3.253 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.336 -3.312 -7.970 1.00 0.00 H new ATOM 1467 N GLU A 96 7.367 -0.410 -7.531 1.00 0.00 N ATOM 1468 CA GLU A 96 8.792 -0.544 -7.253 1.00 0.00 C ATOM 1469 C GLU A 96 9.040 -0.740 -5.760 1.00 0.00 C ATOM 1470 O GLU A 96 9.788 -1.631 -5.356 1.00 0.00 O ATOM 1471 CB GLU A 96 9.549 0.690 -7.749 1.00 0.00 C ATOM 1472 CG GLU A 96 9.687 0.753 -9.261 1.00 0.00 C ATOM 1473 CD GLU A 96 10.863 -0.056 -9.773 1.00 0.00 C ATOM 1474 OE1 GLU A 96 10.931 -1.265 -9.467 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.715 0.521 -10.481 1.00 0.00 O ATOM 0 H GLU A 96 7.139 0.286 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 96 9.158 -1.424 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.034 1.586 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.543 0.700 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.770 0.386 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.804 1.792 -9.569 1.00 0.00 H new ATOM 1482 N ILE A 97 8.407 0.098 -4.946 1.00 0.00 N ATOM 1483 CA ILE A 97 8.558 0.017 -3.499 1.00 0.00 C ATOM 1484 C ILE A 97 8.027 -1.309 -2.964 1.00 0.00 C ATOM 1485 O ILE A 97 8.569 -1.868 -2.011 1.00 0.00 O ATOM 1486 CB ILE A 97 7.827 1.173 -2.791 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.355 2.520 -3.288 1.00 0.00 C ATOM 1488 CG2 ILE A 97 7.989 1.058 -1.283 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.333 3.633 -3.217 1.00 0.00 C ATOM 0 H ILE A 97 7.785 0.841 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 97 9.625 0.090 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 97 6.765 1.111 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.227 2.800 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.691 2.411 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.467 1.882 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.569 0.111 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.048 1.098 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.776 4.558 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.470 3.375 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.015 3.769 -2.183 1.00 0.00 H new ATOM 1501 N PHE A 98 6.964 -1.808 -3.586 1.00 0.00 N ATOM 1502 CA PHE A 98 6.360 -3.070 -3.174 1.00 0.00 C ATOM 1503 C PHE A 98 7.212 -4.253 -3.623 1.00 0.00 C ATOM 1504 O PHE A 98 7.092 -5.355 -3.090 1.00 0.00 O ATOM 1505 CB PHE A 98 4.948 -3.195 -3.750 1.00 0.00 C ATOM 1506 CG PHE A 98 4.608 -4.585 -4.207 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.904 -4.997 -5.497 1.00 0.00 C ATOM 1508 CD2 PHE A 98 3.993 -5.481 -3.346 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.593 -6.275 -5.920 1.00 0.00 C ATOM 1510 CE2 PHE A 98 3.681 -6.761 -3.764 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.980 -7.158 -5.052 1.00 0.00 C ATOM 0 H PHE A 98 6.503 -1.358 -4.377 1.00 0.00 H new ATOM 0 HA PHE A 98 6.303 -3.079 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.227 -2.883 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.845 -2.509 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.383 -4.311 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.755 -5.175 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.829 -6.583 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.204 -7.450 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.735 -8.157 -5.381 1.00 0.00 H new ATOM 1521 N ASN A 99 8.072 -4.016 -4.608 1.00 0.00 N ATOM 1522 CA ASN A 99 8.944 -5.062 -5.130 1.00 0.00 C ATOM 1523 C ASN A 99 10.269 -5.093 -4.374 1.00 0.00 C ATOM 1524 O ASN A 99 10.957 -6.115 -4.347 1.00 0.00 O ATOM 1525 CB ASN A 99 9.201 -4.843 -6.622 1.00 0.00 C ATOM 1526 CG ASN A 99 8.018 -5.252 -7.478 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.362 -6.258 -7.210 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.740 -4.471 -8.516 1.00 0.00 N ATOM 0 H ASN A 99 8.184 -3.109 -5.061 1.00 0.00 H new ATOM 0 HA ASN A 99 8.444 -6.020 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.428 -3.791 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.079 -5.413 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.956 -4.696 -9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.311 -3.646 -8.701 1.00 0.00 H new ATOM 1535 N LEU A 100 10.620 -3.969 -3.760 1.00 0.00 N ATOM 1536 CA LEU A 100 11.863 -3.867 -3.002 1.00 0.00 C ATOM 1537 C LEU A 100 11.637 -4.225 -1.537 1.00 0.00 C ATOM 1538 O LEU A 100 12.493 -4.839 -0.898 1.00 0.00 O ATOM 1539 CB LEU A 100 12.435 -2.453 -3.111 1.00 0.00 C ATOM 1540 CG LEU A 100 13.950 -2.328 -2.948 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.417 -0.935 -3.343 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.360 -2.643 -1.516 1.00 0.00 C ATOM 0 H LEU A 100 10.062 -3.115 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 100 12.577 -4.574 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.159 -2.045 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.956 -1.829 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 100 14.428 -3.050 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.498 -0.865 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.157 -0.746 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 100 13.931 -0.195 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.442 -2.549 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.872 -1.945 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.060 -3.661 -1.267 1.00 0.00 H new ATOM 1554 N LEU A 101 10.480 -3.840 -1.010 1.00 0.00 N ATOM 1555 CA LEU A 101 10.141 -4.123 0.380 1.00 0.00 C ATOM 1556 C LEU A 101 10.266 -5.613 0.680 1.00 0.00 C ATOM 1557 O LEU A 101 10.966 -6.011 1.611 1.00 0.00 O ATOM 1558 CB LEU A 101 8.719 -3.648 0.685 1.00 0.00 C ATOM 1559 CG LEU A 101 8.583 -2.207 1.179 1.00 0.00 C ATOM 1560 CD1 LEU A 101 7.118 -1.835 1.343 1.00 0.00 C ATOM 1561 CD2 LEU A 101 9.334 -2.020 2.489 1.00 0.00 C ATOM 0 H LEU A 101 9.761 -3.331 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 101 10.843 -3.584 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.119 -3.759 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.290 -4.310 1.437 1.00 0.00 H new ATOM 0 HG LEU A 101 9.023 -1.544 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.041 -0.806 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.609 -1.929 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.652 -2.502 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.227 -0.989 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.924 -2.693 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.390 -2.244 2.338 1.00 0.00 H new ATOM 1573 N GLN A 102 9.587 -6.431 -0.117 1.00 0.00 N ATOM 1574 CA GLN A 102 9.624 -7.877 0.062 1.00 0.00 C ATOM 1575 C GLN A 102 11.059 -8.394 0.023 1.00 0.00 C ATOM 1576 O GLN A 102 11.402 -9.354 0.713 1.00 0.00 O ATOM 1577 CB GLN A 102 8.792 -8.569 -1.019 1.00 0.00 C ATOM 1578 CG GLN A 102 9.380 -8.442 -2.414 1.00 0.00 C ATOM 1579 CD GLN A 102 8.381 -8.782 -3.503 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.602 -9.693 -4.301 1.00 0.00 O ATOM 1581 NE2 GLN A 102 7.274 -8.050 -3.540 1.00 0.00 N ATOM 0 H GLN A 102 9.004 -6.117 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 102 9.200 -8.107 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.695 -9.626 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.787 -8.147 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.739 -7.423 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.244 -9.100 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.132 -7.305 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.565 -8.233 -4.250 1.00 0.00 H new ATOM 1590 N ASP A 103 11.892 -7.751 -0.788 1.00 0.00 N ATOM 1591 CA ASP A 103 13.290 -8.144 -0.916 1.00 0.00 C ATOM 1592 C ASP A 103 14.040 -7.922 0.394 1.00 0.00 C ATOM 1593 O ASP A 103 15.051 -8.572 0.660 1.00 0.00 O ATOM 1594 CB ASP A 103 13.962 -7.358 -2.042 1.00 0.00 C ATOM 1595 CG ASP A 103 13.848 -8.055 -3.384 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.743 -8.537 -3.709 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.864 -8.119 -4.108 1.00 0.00 O ATOM 0 H ASP A 103 11.623 -6.955 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 103 13.322 -9.207 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.510 -6.369 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.015 -7.211 -1.800 1.00 0.00 H new ATOM 1602 N LEU A 104 13.538 -7.000 1.207 1.00 0.00 N ATOM 1603 CA LEU A 104 14.161 -6.690 2.490 1.00 0.00 C ATOM 1604 C LEU A 104 13.518 -7.495 3.615 1.00 0.00 C ATOM 1605 O LEU A 104 14.148 -7.764 4.637 1.00 0.00 O ATOM 1606 CB LEU A 104 14.046 -5.194 2.787 1.00 0.00 C ATOM 1607 CG LEU A 104 14.481 -4.252 1.664 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.059 -2.824 1.972 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.987 -4.331 1.455 1.00 0.00 C ATOM 0 H LEU A 104 12.702 -6.454 1.001 1.00 0.00 H new ATOM 0 HA LEU A 104 15.215 -6.962 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.009 -4.973 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.643 -4.973 3.672 1.00 0.00 H new ATOM 0 HG LEU A 104 13.989 -4.564 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.377 -2.168 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.974 -2.778 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.523 -2.501 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.279 -3.654 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.497 -4.045 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.264 -5.351 1.189 1.00 0.00 H new ATOM 1621 N MET A 105 12.260 -7.877 3.419 1.00 0.00 N ATOM 1622 CA MET A 105 11.533 -8.654 4.416 1.00 0.00 C ATOM 1623 C MET A 105 11.955 -10.119 4.376 1.00 0.00 C ATOM 1624 O MET A 105 12.308 -10.700 5.402 1.00 0.00 O ATOM 1625 CB MET A 105 10.026 -8.538 4.185 1.00 0.00 C ATOM 1626 CG MET A 105 9.532 -7.102 4.106 1.00 0.00 C ATOM 1627 SD MET A 105 9.055 -6.443 5.715 1.00 0.00 S ATOM 1628 CE MET A 105 7.279 -6.663 5.659 1.00 0.00 C ATOM 0 H MET A 105 11.723 -7.661 2.579 1.00 0.00 H new ATOM 0 HA MET A 105 11.773 -8.252 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.768 -9.054 3.260 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.502 -9.050 4.992 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.315 -6.475 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.679 -7.052 3.430 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.887 -6.716 6.675 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.824 -5.820 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.043 -7.586 5.130 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.698 11.092 8.159 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.117 10.911 7.878 1.00 0.00 C ATOM 2277 C PHE B 2 -4.516 9.444 8.013 1.00 0.00 C ATOM 2278 O PHE B 2 -3.824 8.554 7.517 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.449 11.413 6.471 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.913 11.351 6.142 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.488 10.170 5.701 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.714 12.474 6.273 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.834 10.110 5.397 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.062 12.420 5.971 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.623 11.236 5.533 1.00 0.00 C ATOM 0 HA PHE B 2 -4.682 11.492 8.607 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.106 12.443 6.371 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.896 10.820 5.743 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.877 9.286 5.594 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.280 13.402 6.615 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.269 9.183 5.053 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.676 13.302 6.077 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.676 11.191 5.297 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.634 9.201 8.688 1.00 0.00 N ATOM 2296 CA ARG B 3 -6.124 7.842 8.891 1.00 0.00 C ATOM 2297 C ARG B 3 -7.052 7.424 7.754 1.00 0.00 C ATOM 2298 O ARG B 3 -7.771 8.250 7.189 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.859 7.737 10.228 1.00 0.00 C ATOM 2300 CG ARG B 3 -8.206 8.440 10.241 1.00 0.00 C ATOM 2301 CD ARG B 3 -8.076 9.885 10.699 1.00 0.00 C ATOM 2302 NE ARG B 3 -9.335 10.409 11.219 1.00 0.00 N ATOM 2303 CZ ARG B 3 -9.411 11.414 12.085 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -8.306 11.999 12.525 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -10.594 11.835 12.513 1.00 0.00 N ATOM 0 H ARG B 3 -6.218 9.927 9.104 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.266 7.170 8.902 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -7.006 6.684 10.470 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -6.231 8.160 11.012 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -8.642 8.411 9.242 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.889 7.907 10.903 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -7.309 9.953 11.470 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -7.744 10.502 9.864 1.00 0.00 H new ATOM 0 HE ARG B 3 -10.204 9.980 10.900 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -7.394 11.678 12.199 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -8.367 12.770 13.190 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -11.447 11.387 12.177 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -10.651 12.607 13.178 1.00 0.00 H new ATOM 2319 N LEU B 4 -7.031 6.138 7.423 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.871 5.609 6.354 1.00 0.00 C ATOM 2321 C LEU B 4 -8.853 4.574 6.893 1.00 0.00 C ATOM 2322 O LEU B 4 -8.588 3.919 7.901 1.00 0.00 O ATOM 2323 CB LEU B 4 -7.003 4.984 5.259 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.555 5.924 4.140 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.670 5.188 3.146 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.762 6.528 3.436 1.00 0.00 C ATOM 0 H LEU B 4 -6.441 5.442 7.879 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.441 6.436 5.931 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.115 4.558 5.726 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.556 4.157 4.813 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.974 6.733 4.583 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.361 5.873 2.357 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.788 4.804 3.659 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.226 4.358 2.709 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.424 7.195 2.642 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.369 5.731 3.007 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.358 7.091 4.154 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.986 4.430 6.213 1.00 0.00 N ATOM 2339 CA ARG B 5 -11.007 3.474 6.624 1.00 0.00 C ATOM 2340 C ARG B 5 -10.701 2.083 6.075 1.00 0.00 C ATOM 2341 O ARG B 5 -10.716 1.096 6.812 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.386 3.931 6.145 1.00 0.00 C ATOM 2343 CG ARG B 5 -13.101 4.842 7.128 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.039 5.804 6.416 1.00 0.00 C ATOM 2345 NE ARG B 5 -15.253 5.141 5.949 1.00 0.00 N ATOM 2346 CZ ARG B 5 -16.318 4.933 6.715 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.319 5.335 7.978 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -17.385 4.322 6.217 1.00 0.00 N ATOM 0 H ARG B 5 -10.220 4.963 5.375 1.00 0.00 H new ATOM 0 HA ARG B 5 -11.006 3.425 7.713 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.277 4.452 5.194 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -13.006 3.054 5.959 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.667 4.239 7.839 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.367 5.407 7.703 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.307 6.616 7.092 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -13.522 6.253 5.568 1.00 0.00 H new ATOM 0 HE ARG B 5 -15.285 4.820 4.981 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -15.500 5.805 8.364 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -17.138 5.174 8.564 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -17.388 4.012 5.245 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -18.203 4.163 6.806 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.424 2.012 4.777 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.114 0.743 4.129 1.00 0.00 C ATOM 2364 C HIS B 6 -8.779 0.818 3.396 1.00 0.00 C ATOM 2365 O HIS B 6 -8.287 1.905 3.091 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.226 0.360 3.151 1.00 0.00 C ATOM 2367 CG HIS B 6 -12.447 -0.193 3.819 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -13.136 0.238 4.901 1.00 0.00 N flip ATOM 2369 CD2 HIS B 6 -13.095 -1.328 3.380 1.00 0.00 C flip ATOM 2370 CE1 HIS B 6 -14.179 -0.635 5.093 1.00 0.00 C flip ATOM 2371 NE2 HIS B 6 -14.132 -1.570 4.162 1.00 0.00 N flip ATOM 0 H HIS B 6 -10.408 2.819 4.153 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.041 -0.022 4.902 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.506 1.239 2.570 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -10.841 -0.378 2.447 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.801 -1.926 2.530 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.918 -0.568 5.878 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.785 -2.347 4.063 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.196 -0.343 3.115 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.917 -0.408 2.419 1.00 0.00 C ATOM 2382 C PHE B 7 -7.117 -0.349 0.907 1.00 0.00 C ATOM 2383 O PHE B 7 -7.756 -1.212 0.306 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.171 -1.690 2.796 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.703 -1.643 2.485 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.944 -0.534 2.824 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.081 -2.708 1.853 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.592 -0.488 2.540 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.730 -2.667 1.566 1.00 0.00 C ATOM 2390 CZ PHE B 7 -1.985 -1.556 1.909 1.00 0.00 C ATOM 0 H PHE B 7 -8.590 -1.252 3.359 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.322 0.453 2.724 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.303 -1.877 3.862 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.620 -2.531 2.267 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.415 0.304 3.316 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.658 -3.579 1.582 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.011 0.381 2.811 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.257 -3.504 1.074 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.929 -1.522 1.684 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.557 0.695 0.277 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.659 0.893 -1.172 1.00 0.00 C ATOM 2402 C PRO B 8 -5.854 -0.138 -1.956 1.00 0.00 C ATOM 2403 O PRO B 8 -6.342 -0.708 -2.932 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.081 2.295 -1.380 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.164 2.502 -0.224 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.781 1.762 0.931 1.00 0.00 C ATOM 0 HA PRO B 8 -7.683 0.783 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.546 2.366 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.868 3.049 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.167 2.121 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.057 3.562 0.004 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.022 1.355 1.599 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.418 2.412 1.531 1.00 0.00 H new ATOM 2414 N CYS B 9 -4.621 -0.371 -1.523 1.00 0.00 N ATOM 2415 CA CYS B 9 -3.747 -1.334 -2.185 1.00 0.00 C ATOM 2416 C CYS B 9 -4.297 -2.750 -2.049 1.00 0.00 C ATOM 2417 O CYS B 9 -4.067 -3.422 -1.044 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.337 -1.262 -1.599 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.652 0.410 -1.524 1.00 0.00 S ATOM 0 H CYS B 9 -4.203 0.093 -0.717 1.00 0.00 H new ATOM 0 HA CYS B 9 -3.705 -1.081 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -2.351 -1.682 -0.593 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -1.674 -1.888 -2.197 1.00 0.00 H new ATOM 0 HG CYS B 9 -0.354 0.346 -1.500 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.025 -3.197 -3.067 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.598 -4.531 -3.040 1.00 0.00 C ATOM 2427 C GLY B 10 -4.540 -5.616 -3.027 1.00 0.00 C ATOM 2428 O GLY B 10 -4.459 -6.401 -2.084 1.00 0.00 O ATOM 0 H GLY B 10 -5.229 -2.660 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.230 -4.634 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.241 -4.665 -3.910 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.727 -5.661 -4.078 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.670 -6.660 -4.184 1.00 0.00 C ATOM 2434 C ASN B 11 -1.580 -6.411 -3.145 1.00 0.00 C ATOM 2435 O ASN B 11 -0.732 -5.536 -3.316 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.063 -6.644 -5.589 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.083 -6.972 -6.662 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.287 -6.818 -6.458 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -2.604 -7.428 -7.813 1.00 0.00 N ATOM 0 H ASN B 11 -3.780 -5.018 -4.868 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.110 -7.639 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.635 -5.661 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.245 -7.363 -5.637 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -3.242 -7.666 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -1.598 -7.540 -7.938 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.610 -7.188 -2.067 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.625 -7.055 -1.000 1.00 0.00 C ATOM 2448 C VAL B 12 0.137 -8.358 -0.790 1.00 0.00 C ATOM 2449 O VAL B 12 -0.437 -9.443 -0.863 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.287 -6.639 0.327 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.346 -7.652 0.735 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.239 -6.482 1.418 1.00 0.00 C ATOM 0 H VAL B 12 -2.306 -7.917 -1.909 1.00 0.00 H new ATOM 0 HA VAL B 12 0.072 -6.276 -1.308 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.776 -5.675 0.184 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.803 -7.342 1.675 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.111 -7.710 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.883 -8.631 0.862 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.724 -6.188 2.349 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.280 -7.429 1.563 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.479 -5.716 1.125 1.00 0.00 H new ATOM 2462 N ASN B 13 1.435 -8.242 -0.527 1.00 0.00 N ATOM 2463 CA ASN B 13 2.277 -9.412 -0.305 1.00 0.00 C ATOM 2464 C ASN B 13 2.536 -9.622 1.184 1.00 0.00 C ATOM 2465 O ASN B 13 3.571 -9.211 1.708 1.00 0.00 O ATOM 2466 CB ASN B 13 3.606 -9.259 -1.049 1.00 0.00 C ATOM 2467 CG ASN B 13 4.681 -10.180 -0.507 1.00 0.00 C ATOM 2468 OD1 ASN B 13 4.395 -11.116 0.240 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.928 -9.917 -0.881 1.00 0.00 N ATOM 0 H ASN B 13 1.926 -7.350 -0.462 1.00 0.00 H new ATOM 0 HA ASN B 13 1.751 -10.285 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.453 -9.468 -2.108 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.945 -8.226 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.694 -10.502 -0.547 1.00 0.00 H new ATOM 0 HD22 ASN B 13 6.119 -9.131 -1.502 1.00 0.00 H new ATOM 2476 N TYR B 14 1.589 -10.264 1.858 1.00 0.00 N ATOM 2477 CA TYR B 14 1.714 -10.527 3.287 1.00 0.00 C ATOM 2478 C TYR B 14 3.109 -11.041 3.627 1.00 0.00 C ATOM 2479 O TYR B 14 3.596 -11.997 3.024 1.00 0.00 O ATOM 2480 CB TYR B 14 0.661 -11.544 3.733 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.716 -11.276 3.171 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.488 -10.221 3.641 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.246 -12.078 2.167 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.747 -9.973 3.131 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.504 -11.837 1.649 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.251 -10.783 2.135 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.504 -10.539 1.622 1.00 0.00 O ATOM 0 H TYR B 14 0.727 -10.612 1.439 1.00 0.00 H new ATOM 0 HA TYR B 14 1.553 -9.589 3.819 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.980 -12.541 3.430 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.606 -11.544 4.822 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.096 -9.583 4.420 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.664 -12.904 1.785 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.334 -9.149 3.510 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -2.900 -12.470 0.869 1.00 0.00 H new ATOM 0 HH TYR B 14 -4.708 -11.200 0.928 1.00 0.00 H new ATOM 2497 N GLY B 15 3.749 -10.398 4.599 1.00 0.00 N ATOM 2498 CA GLY B 15 5.082 -10.803 5.004 1.00 0.00 C ATOM 2499 C GLY B 15 5.205 -10.975 6.505 1.00 0.00 C ATOM 2500 O GLY B 15 4.209 -10.916 7.227 1.00 0.00 O ATOM 0 H GLY B 15 3.368 -9.604 5.113 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.339 -11.741 4.512 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.803 -10.058 4.666 1.00 0.00 H new