USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 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 62:sc= 0.134 USER MOD Set 1.2: B 13 ASN : amide:sc= -2.97! C(o=-2.8!,f=-8.9!) USER MOD Set 2.1: A 80 CYS SG : rot 150:sc= -1.6 USER MOD Set 2.2: A 82 THR OG1 : rot 90:sc= 0.0165 USER MOD Set 3.1: A 70 ASN : amide:sc= -2.84 K(o=-5.1,f=-2.3) USER MOD Set 3.2: A 90 LYS NZ :NH3+ -155:sc= -2.24 (180deg=0) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 35 SER OG : rot -8:sc= 0.0787 USER MOD Set 5.1: A 17 HIS : no HD1:sc= -3.79! C(o=-4!,f=-8.2!) USER MOD Set 5.2: A 19 THR OG1 : rot 5:sc= -0.201 USER MOD Single : A 16 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.1!) 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 25 ASN : amide:sc= 0.841 K(o=0.84,f=-0.18) USER MOD Single : A 38 MET CE :methyl -175:sc= -1.19 (180deg=-1.28) USER MOD Single : A 41 THR OG1 : rot 3:sc= 0.411 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=-0.0027) USER MOD Single : A 59 TYR OH : rot 152:sc= 0.00078 USER MOD Single : A 61 CYS SG : rot 180:sc= -4.08! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 73 SER OG : rot 127:sc= -0.58 USER MOD Single : A 76 SER OG : rot 12:sc= 0.506 USER MOD Single : A 81 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.81) USER MOD Single : A 84 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.4!) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.962 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.335 K(o=-0.34,f=-2.5!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -134:sc= 0 (180deg=-0.238) USER MOD Single : B 6 HIS : no HD1:sc= -4.39! K(o=-4.4!,f=-1.9) USER MOD Single : B 9 CYS SG : rot 160:sc= -0.513 USER MOD Single : B 11 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.6!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.612 12.851 -7.410 1.00 0.00 N ATOM 163 CA PRO A 14 15.586 12.686 -8.444 1.00 0.00 C ATOM 164 C PRO A 14 14.308 12.059 -7.898 1.00 0.00 C ATOM 165 O PRO A 14 14.314 11.444 -6.831 1.00 0.00 O ATOM 166 CB PRO A 14 16.250 11.750 -9.457 1.00 0.00 C ATOM 167 CG PRO A 14 17.259 10.991 -8.666 1.00 0.00 C ATOM 168 CD PRO A 14 17.750 11.936 -7.605 1.00 0.00 C ATOM 0 HA PRO A 14 15.276 13.642 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.521 11.081 -9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.720 12.310 -10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.816 10.100 -8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.080 10.656 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.005 11.410 -6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.645 12.470 -7.925 1.00 0.00 H new ATOM 176 N ASP A 15 13.214 12.219 -8.634 1.00 0.00 N ATOM 177 CA ASP A 15 11.928 11.667 -8.224 1.00 0.00 C ATOM 178 C ASP A 15 11.827 10.191 -8.597 1.00 0.00 C ATOM 179 O ASP A 15 10.818 9.541 -8.326 1.00 0.00 O ATOM 180 CB ASP A 15 10.784 12.449 -8.870 1.00 0.00 C ATOM 181 CG ASP A 15 10.439 11.934 -10.254 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.346 11.886 -11.111 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.263 11.580 -10.479 1.00 0.00 O ATOM 0 H ASP A 15 13.192 12.727 -9.518 1.00 0.00 H new ATOM 0 HA ASP A 15 11.851 11.755 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.902 12.389 -8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.059 13.502 -8.935 1.00 0.00 H new ATOM 188 N ASN A 16 12.878 9.670 -9.220 1.00 0.00 N ATOM 189 CA ASN A 16 12.906 8.271 -9.631 1.00 0.00 C ATOM 190 C ASN A 16 14.122 7.557 -9.049 1.00 0.00 C ATOM 191 O ASN A 16 14.637 6.605 -9.637 1.00 0.00 O ATOM 192 CB ASN A 16 12.922 8.167 -11.158 1.00 0.00 C ATOM 193 CG ASN A 16 14.134 8.842 -11.771 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.161 9.014 -11.114 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.020 9.227 -13.036 1.00 0.00 N ATOM 0 H ASN A 16 13.721 10.195 -9.451 1.00 0.00 H new ATOM 0 HA ASN A 16 12.006 7.788 -9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.909 7.116 -11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.015 8.620 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.803 9.686 -13.502 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.150 9.064 -13.542 1.00 0.00 H new ATOM 202 N HIS A 17 14.577 8.023 -7.890 1.00 0.00 N ATOM 203 CA HIS A 17 15.732 7.428 -7.227 1.00 0.00 C ATOM 204 C HIS A 17 15.425 6.004 -6.774 1.00 0.00 C ATOM 205 O HIS A 17 14.329 5.700 -6.302 1.00 0.00 O ATOM 206 CB HIS A 17 16.152 8.279 -6.028 1.00 0.00 C ATOM 207 CG HIS A 17 17.620 8.223 -5.739 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.137 7.731 -4.559 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.684 8.601 -6.486 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.455 7.809 -4.592 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.813 8.334 -5.751 1.00 0.00 N ATOM 0 H HIS A 17 14.164 8.811 -7.391 1.00 0.00 H new ATOM 0 HA HIS A 17 16.553 7.393 -7.943 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.865 9.315 -6.210 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.604 7.946 -5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.651 9.032 -7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.126 7.497 -3.806 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.772 8.512 -6.051 1.00 0.00 H new ATOM 220 N PRO A 18 16.413 5.110 -6.921 1.00 0.00 N ATOM 221 CA PRO A 18 16.272 3.703 -6.533 1.00 0.00 C ATOM 222 C PRO A 18 16.202 3.524 -5.020 1.00 0.00 C ATOM 223 O PRO A 18 15.498 2.645 -4.520 1.00 0.00 O ATOM 224 CB PRO A 18 17.541 3.052 -7.090 1.00 0.00 C ATOM 225 CG PRO A 18 18.533 4.161 -7.165 1.00 0.00 C ATOM 226 CD PRO A 18 17.745 5.402 -7.477 1.00 0.00 C ATOM 0 HA PRO A 18 15.350 3.265 -6.915 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.892 2.250 -6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.363 2.613 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.071 4.267 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.277 3.967 -7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.188 6.285 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.700 5.590 -8.550 1.00 0.00 H new ATOM 234 N THR A 19 16.936 4.362 -4.294 1.00 0.00 N ATOM 235 CA THR A 19 16.957 4.295 -2.838 1.00 0.00 C ATOM 236 C THR A 19 16.015 5.325 -2.227 1.00 0.00 C ATOM 237 O THR A 19 15.605 5.200 -1.073 1.00 0.00 O ATOM 238 CB THR A 19 18.377 4.523 -2.286 1.00 0.00 C ATOM 239 OG1 THR A 19 18.876 5.790 -2.728 1.00 0.00 O ATOM 240 CG2 THR A 19 19.317 3.416 -2.739 1.00 0.00 C ATOM 0 H THR A 19 17.524 5.095 -4.691 1.00 0.00 H new ATOM 0 HA THR A 19 16.624 3.294 -2.562 1.00 0.00 H new ATOM 0 HB THR A 19 18.327 4.513 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.173 6.266 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.314 3.598 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.950 2.456 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.362 3.400 -3.828 1.00 0.00 H new ATOM 248 N LYS A 20 15.673 6.344 -3.008 1.00 0.00 N ATOM 249 CA LYS A 20 14.777 7.397 -2.544 1.00 0.00 C ATOM 250 C LYS A 20 13.524 7.465 -3.412 1.00 0.00 C ATOM 251 O LYS A 20 13.589 7.294 -4.629 1.00 0.00 O ATOM 252 CB LYS A 20 15.494 8.749 -2.558 1.00 0.00 C ATOM 253 CG LYS A 20 16.190 9.081 -1.250 1.00 0.00 C ATOM 254 CD LYS A 20 17.532 8.378 -1.138 1.00 0.00 C ATOM 255 CE LYS A 20 18.657 9.232 -1.703 1.00 0.00 C ATOM 256 NZ LYS A 20 19.146 10.231 -0.713 1.00 0.00 N ATOM 0 H LYS A 20 16.003 6.463 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 20 14.479 7.162 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.229 8.753 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.771 9.532 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.336 10.159 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.554 8.789 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.738 8.149 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.492 7.428 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.483 8.589 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.307 9.748 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.912 10.793 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.365 10.861 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.503 9.738 0.130 1.00 0.00 H new ATOM 270 N PHE A 21 12.384 7.719 -2.777 1.00 0.00 N ATOM 271 CA PHE A 21 11.116 7.810 -3.492 1.00 0.00 C ATOM 272 C PHE A 21 10.252 8.933 -2.924 1.00 0.00 C ATOM 273 O PHE A 21 9.677 8.805 -1.843 1.00 0.00 O ATOM 274 CB PHE A 21 10.362 6.481 -3.409 1.00 0.00 C ATOM 275 CG PHE A 21 11.117 5.327 -4.004 1.00 0.00 C ATOM 276 CD1 PHE A 21 10.993 5.020 -5.349 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.951 4.548 -3.217 1.00 0.00 C ATOM 278 CE1 PHE A 21 11.686 3.958 -5.899 1.00 0.00 C ATOM 279 CE2 PHE A 21 12.646 3.485 -3.761 1.00 0.00 C ATOM 280 CZ PHE A 21 12.515 3.190 -5.104 1.00 0.00 C ATOM 0 H PHE A 21 12.312 7.865 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 21 11.332 8.033 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.142 6.261 -2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.405 6.582 -3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.347 5.617 -5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.059 4.775 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.580 3.729 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.291 2.885 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.059 2.361 -5.532 1.00 0.00 H new ATOM 290 N LYS A 22 10.166 10.035 -3.662 1.00 0.00 N ATOM 291 CA LYS A 22 9.373 11.182 -3.235 1.00 0.00 C ATOM 292 C LYS A 22 7.883 10.854 -3.262 1.00 0.00 C ATOM 293 O LYS A 22 7.309 10.614 -4.324 1.00 0.00 O ATOM 294 CB LYS A 22 9.656 12.387 -4.134 1.00 0.00 C ATOM 295 CG LYS A 22 10.794 13.262 -3.637 1.00 0.00 C ATOM 296 CD LYS A 22 11.543 13.911 -4.789 1.00 0.00 C ATOM 297 CE LYS A 22 12.907 14.421 -4.350 1.00 0.00 C ATOM 298 NZ LYS A 22 12.847 15.833 -3.881 1.00 0.00 N ATOM 0 H LYS A 22 10.636 10.158 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 22 9.655 11.426 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.892 12.034 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.752 12.991 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.399 14.035 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.485 12.661 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.666 13.190 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.955 14.738 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.291 13.789 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.608 14.344 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.796 16.143 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.505 16.441 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.198 15.903 -3.072 1.00 0.00 H new ATOM 312 N VAL A 23 7.262 10.846 -2.086 1.00 0.00 N ATOM 313 CA VAL A 23 5.839 10.550 -1.976 1.00 0.00 C ATOM 314 C VAL A 23 5.056 11.777 -1.521 1.00 0.00 C ATOM 315 O VAL A 23 5.633 12.754 -1.043 1.00 0.00 O ATOM 316 CB VAL A 23 5.580 9.396 -0.990 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.225 8.112 -1.490 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.094 9.754 0.396 1.00 0.00 C ATOM 0 H VAL A 23 7.722 11.041 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 23 5.500 10.253 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 23 4.504 9.233 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.032 7.307 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.806 7.848 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.301 8.259 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.903 8.927 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.166 9.945 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.582 10.647 0.754 1.00 0.00 H new ATOM 328 N THR A 24 3.736 11.720 -1.673 1.00 0.00 N ATOM 329 CA THR A 24 2.873 12.826 -1.279 1.00 0.00 C ATOM 330 C THR A 24 1.678 12.331 -0.472 1.00 0.00 C ATOM 331 O THR A 24 0.693 11.855 -1.034 1.00 0.00 O ATOM 332 CB THR A 24 2.362 13.605 -2.506 1.00 0.00 C ATOM 333 OG1 THR A 24 3.467 14.158 -3.230 1.00 0.00 O ATOM 334 CG2 THR A 24 1.417 14.720 -2.084 1.00 0.00 C ATOM 0 H THR A 24 3.242 10.919 -2.066 1.00 0.00 H new ATOM 0 HA THR A 24 3.475 13.491 -0.660 1.00 0.00 H new ATOM 0 HB THR A 24 1.818 12.912 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.134 14.650 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.069 15.256 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.563 14.293 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.941 15.411 -1.423 1.00 0.00 H new ATOM 342 N ASN A 25 1.773 12.447 0.848 1.00 0.00 N ATOM 343 CA ASN A 25 0.698 12.010 1.733 1.00 0.00 C ATOM 344 C ASN A 25 -0.644 12.573 1.276 1.00 0.00 C ATOM 345 O ASN A 25 -0.746 13.743 0.908 1.00 0.00 O ATOM 346 CB ASN A 25 0.984 12.447 3.171 1.00 0.00 C ATOM 347 CG ASN A 25 -0.123 12.048 4.127 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.945 12.875 4.522 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.148 10.775 4.505 1.00 0.00 N ATOM 0 H ASN A 25 2.582 12.839 1.329 1.00 0.00 H new ATOM 0 HA ASN A 25 0.648 10.922 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.923 12.005 3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.113 13.529 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.869 10.448 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.554 10.124 4.152 1.00 0.00 H new ATOM 356 N VAL A 26 -1.673 11.731 1.304 1.00 0.00 N ATOM 357 CA VAL A 26 -3.010 12.144 0.895 1.00 0.00 C ATOM 358 C VAL A 26 -4.055 11.717 1.920 1.00 0.00 C ATOM 359 O VAL A 26 -3.727 11.110 2.939 1.00 0.00 O ATOM 360 CB VAL A 26 -3.384 11.556 -0.478 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.424 12.051 -1.550 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.394 10.036 -0.421 1.00 0.00 C ATOM 0 H VAL A 26 -1.606 10.759 1.606 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.997 13.232 0.825 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.387 11.894 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.704 11.625 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.471 13.139 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.409 11.744 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.660 9.637 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.405 9.676 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.124 9.704 0.317 1.00 0.00 H new ATOM 372 N ASP A 27 -5.313 12.038 1.642 1.00 0.00 N ATOM 373 CA ASP A 27 -6.408 11.686 2.539 1.00 0.00 C ATOM 374 C ASP A 27 -7.287 10.601 1.925 1.00 0.00 C ATOM 375 O ASP A 27 -7.007 10.106 0.833 1.00 0.00 O ATOM 376 CB ASP A 27 -7.251 12.921 2.860 1.00 0.00 C ATOM 377 CG ASP A 27 -8.372 13.132 1.862 1.00 0.00 C ATOM 378 OD1 ASP A 27 -8.075 13.278 0.658 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.547 13.152 2.285 1.00 0.00 O ATOM 0 H ASP A 27 -5.601 12.541 0.803 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.977 11.300 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.673 12.819 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.609 13.802 2.873 1.00 0.00 H new ATOM 384 N ASP A 28 -8.349 10.236 2.633 1.00 0.00 N ATOM 385 CA ASP A 28 -9.270 9.209 2.158 1.00 0.00 C ATOM 386 C ASP A 28 -9.772 9.537 0.755 1.00 0.00 C ATOM 387 O ASP A 28 -9.938 8.648 -0.078 1.00 0.00 O ATOM 388 CB ASP A 28 -10.453 9.070 3.117 1.00 0.00 C ATOM 389 CG ASP A 28 -11.333 7.882 2.783 1.00 0.00 C ATOM 390 OD1 ASP A 28 -12.184 8.009 1.878 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.169 6.824 3.426 1.00 0.00 O ATOM 0 H ASP A 28 -8.594 10.636 3.539 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.731 8.262 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.080 8.967 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.051 9.981 3.086 1.00 0.00 H new ATOM 396 N GLU A 29 -10.013 10.820 0.503 1.00 0.00 N ATOM 397 CA GLU A 29 -10.498 11.265 -0.798 1.00 0.00 C ATOM 398 C GLU A 29 -9.414 11.120 -1.861 1.00 0.00 C ATOM 399 O GLU A 29 -9.682 10.691 -2.983 1.00 0.00 O ATOM 400 CB GLU A 29 -10.963 12.721 -0.723 1.00 0.00 C ATOM 401 CG GLU A 29 -11.964 12.984 0.390 1.00 0.00 C ATOM 402 CD GLU A 29 -13.396 12.737 -0.043 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.711 12.994 -1.225 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.202 12.289 0.798 1.00 0.00 O ATOM 0 H GLU A 29 -9.880 11.569 1.183 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.343 10.635 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.095 13.364 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.411 13.000 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.731 12.345 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.863 14.015 0.728 1.00 0.00 H new ATOM 411 N GLY A 30 -8.186 11.482 -1.500 1.00 0.00 N ATOM 412 CA GLY A 30 -7.080 11.386 -2.434 1.00 0.00 C ATOM 413 C GLY A 30 -6.414 12.725 -2.685 1.00 0.00 C ATOM 414 O GLY A 30 -5.673 12.886 -3.654 1.00 0.00 O ATOM 0 H GLY A 30 -7.938 11.840 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.342 10.684 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.441 10.981 -3.379 1.00 0.00 H new ATOM 418 N VAL A 31 -6.681 13.689 -1.810 1.00 0.00 N ATOM 419 CA VAL A 31 -6.103 15.022 -1.941 1.00 0.00 C ATOM 420 C VAL A 31 -4.662 15.048 -1.443 1.00 0.00 C ATOM 421 O VAL A 31 -4.189 14.088 -0.835 1.00 0.00 O ATOM 422 CB VAL A 31 -6.923 16.068 -1.162 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.335 16.163 -1.719 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.947 15.728 0.321 1.00 0.00 C ATOM 0 H VAL A 31 -7.294 13.572 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.122 15.272 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.446 17.041 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.899 16.907 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.293 16.457 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.826 15.194 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.530 16.477 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.400 14.746 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.928 15.717 0.708 1.00 0.00 H new ATOM 434 N GLU A 32 -3.971 16.152 -1.706 1.00 0.00 N ATOM 435 CA GLU A 32 -2.583 16.302 -1.285 1.00 0.00 C ATOM 436 C GLU A 32 -2.481 17.210 -0.062 1.00 0.00 C ATOM 437 O GLU A 32 -2.793 18.400 -0.130 1.00 0.00 O ATOM 438 CB GLU A 32 -1.739 16.870 -2.427 1.00 0.00 C ATOM 439 CG GLU A 32 -1.835 16.066 -3.713 1.00 0.00 C ATOM 440 CD GLU A 32 -1.052 16.691 -4.852 1.00 0.00 C ATOM 441 OE1 GLU A 32 -0.120 17.473 -4.571 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.372 16.399 -6.023 1.00 0.00 O ATOM 0 H GLU A 32 -4.349 16.955 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.203 15.316 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.053 17.895 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.697 16.911 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.465 15.056 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.882 15.976 -4.003 1.00 0.00 H new ATOM 449 N LEU A 33 -2.043 16.641 1.055 1.00 0.00 N ATOM 450 CA LEU A 33 -1.899 17.397 2.294 1.00 0.00 C ATOM 451 C LEU A 33 -0.444 17.794 2.524 1.00 0.00 C ATOM 452 O LEU A 33 -0.100 18.975 2.493 1.00 0.00 O ATOM 453 CB LEU A 33 -2.409 16.575 3.479 1.00 0.00 C ATOM 454 CG LEU A 33 -3.751 15.870 3.279 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.998 14.865 4.393 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.883 16.885 3.214 1.00 0.00 C ATOM 0 H LEU A 33 -1.781 15.658 1.128 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.495 18.306 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.659 15.823 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.493 17.234 4.343 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.718 15.331 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.958 14.373 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.204 14.119 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.010 15.381 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.830 16.365 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.917 17.452 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.714 17.566 2.380 1.00 0.00 H new ATOM 468 N GLY A 34 0.406 16.798 2.754 1.00 0.00 N ATOM 469 CA GLY A 34 1.814 17.064 2.984 1.00 0.00 C ATOM 470 C GLY A 34 2.716 16.129 2.202 1.00 0.00 C ATOM 471 O GLY A 34 2.479 14.922 2.156 1.00 0.00 O ATOM 0 H GLY A 34 0.145 15.812 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.036 18.094 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.030 16.967 4.048 1.00 0.00 H new ATOM 475 N SER A 35 3.752 16.688 1.584 1.00 0.00 N ATOM 476 CA SER A 35 4.689 15.897 0.795 1.00 0.00 C ATOM 477 C SER A 35 5.798 15.331 1.677 1.00 0.00 C ATOM 478 O SER A 35 6.135 15.901 2.713 1.00 0.00 O ATOM 479 CB SER A 35 5.294 16.749 -0.322 1.00 0.00 C ATOM 480 OG SER A 35 5.695 15.943 -1.417 1.00 0.00 O ATOM 0 H SER A 35 3.963 17.685 1.615 1.00 0.00 H new ATOM 0 HA SER A 35 4.141 15.066 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.565 17.487 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.152 17.301 0.061 1.00 0.00 H new ATOM 0 HG SER A 35 5.615 14.997 -1.174 1.00 0.00 H new ATOM 486 N GLY A 36 6.364 14.204 1.255 1.00 0.00 N ATOM 487 CA GLY A 36 7.429 13.578 2.017 1.00 0.00 C ATOM 488 C GLY A 36 8.244 12.608 1.185 1.00 0.00 C ATOM 489 O GLY A 36 7.875 12.285 0.056 1.00 0.00 O ATOM 0 H GLY A 36 6.104 13.714 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.086 14.349 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.000 13.050 2.869 1.00 0.00 H new ATOM 493 N VAL A 37 9.358 12.144 1.742 1.00 0.00 N ATOM 494 CA VAL A 37 10.229 11.205 1.044 1.00 0.00 C ATOM 495 C VAL A 37 10.397 9.916 1.839 1.00 0.00 C ATOM 496 O VAL A 37 10.839 9.936 2.987 1.00 0.00 O ATOM 497 CB VAL A 37 11.617 11.818 0.780 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.513 10.820 0.063 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.488 13.104 -0.023 1.00 0.00 C ATOM 0 H VAL A 37 9.679 12.403 2.675 1.00 0.00 H new ATOM 0 HA VAL A 37 9.752 10.980 0.090 1.00 0.00 H new ATOM 0 HB VAL A 37 12.076 12.060 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.489 11.270 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.631 9.929 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.061 10.544 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.478 13.523 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.008 12.890 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.885 13.821 0.533 1.00 0.00 H new ATOM 509 N MET A 38 10.042 8.795 1.220 1.00 0.00 N ATOM 510 CA MET A 38 10.156 7.494 1.870 1.00 0.00 C ATOM 511 C MET A 38 11.479 6.824 1.517 1.00 0.00 C ATOM 512 O MET A 38 11.842 6.727 0.345 1.00 0.00 O ATOM 513 CB MET A 38 8.989 6.593 1.463 1.00 0.00 C ATOM 514 CG MET A 38 8.950 5.272 2.215 1.00 0.00 C ATOM 515 SD MET A 38 8.125 5.407 3.813 1.00 0.00 S ATOM 516 CE MET A 38 6.439 5.724 3.298 1.00 0.00 C ATOM 0 H MET A 38 9.673 8.761 0.270 1.00 0.00 H new ATOM 0 HA MET A 38 10.125 7.650 2.948 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.053 7.126 1.632 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.052 6.391 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.436 4.527 1.607 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.968 4.914 2.365 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.821 5.920 4.175 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.417 6.591 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.051 4.854 2.768 1.00 0.00 H new ATOM 526 N GLU A 39 12.196 6.363 2.537 1.00 0.00 N ATOM 527 CA GLU A 39 13.479 5.702 2.332 1.00 0.00 C ATOM 528 C GLU A 39 13.400 4.227 2.715 1.00 0.00 C ATOM 529 O GLU A 39 12.912 3.878 3.791 1.00 0.00 O ATOM 530 CB GLU A 39 14.571 6.394 3.152 1.00 0.00 C ATOM 531 CG GLU A 39 15.978 5.956 2.784 1.00 0.00 C ATOM 532 CD GLU A 39 17.043 6.875 3.352 1.00 0.00 C ATOM 533 OE1 GLU A 39 17.052 7.083 4.583 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.867 7.385 2.565 1.00 0.00 O ATOM 0 H GLU A 39 11.910 6.435 3.513 1.00 0.00 H new ATOM 0 HA GLU A 39 13.729 5.772 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.488 7.472 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.402 6.193 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.146 4.943 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.072 5.924 1.699 1.00 0.00 H new ATOM 541 N LEU A 40 13.881 3.365 1.826 1.00 0.00 N ATOM 542 CA LEU A 40 13.864 1.927 2.068 1.00 0.00 C ATOM 543 C LEU A 40 15.221 1.443 2.569 1.00 0.00 C ATOM 544 O LEU A 40 16.075 1.032 1.783 1.00 0.00 O ATOM 545 CB LEU A 40 13.483 1.179 0.789 1.00 0.00 C ATOM 546 CG LEU A 40 11.986 0.994 0.540 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.345 2.313 0.135 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.749 -0.065 -0.526 1.00 0.00 C ATOM 0 H LEU A 40 14.288 3.637 0.931 1.00 0.00 H new ATOM 0 HA LEU A 40 13.119 1.722 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.909 1.713 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.951 0.195 0.814 1.00 0.00 H new ATOM 0 HG LEU A 40 11.522 0.657 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.280 2.162 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.483 3.044 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.813 2.679 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.678 -0.183 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.227 0.242 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.172 -1.014 -0.197 1.00 0.00 H new ATOM 560 N THR A 41 15.413 1.493 3.883 1.00 0.00 N ATOM 561 CA THR A 41 16.665 1.059 4.490 1.00 0.00 C ATOM 562 C THR A 41 16.486 -0.254 5.242 1.00 0.00 C ATOM 563 O THR A 41 15.532 -0.419 6.002 1.00 0.00 O ATOM 564 CB THR A 41 17.218 2.121 5.459 1.00 0.00 C ATOM 565 OG1 THR A 41 16.213 2.485 6.412 1.00 0.00 O ATOM 566 CG2 THR A 41 17.677 3.358 4.701 1.00 0.00 C ATOM 0 H THR A 41 14.717 1.830 4.548 1.00 0.00 H new ATOM 0 HA THR A 41 17.376 0.914 3.677 1.00 0.00 H new ATOM 0 HB THR A 41 18.075 1.695 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.412 1.938 6.268 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.064 4.094 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.462 3.083 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.835 3.785 4.157 1.00 0.00 H new ATOM 574 N GLN A 42 17.409 -1.186 5.025 1.00 0.00 N ATOM 575 CA GLN A 42 17.351 -2.485 5.684 1.00 0.00 C ATOM 576 C GLN A 42 16.783 -2.357 7.093 1.00 0.00 C ATOM 577 O GLN A 42 16.082 -3.247 7.575 1.00 0.00 O ATOM 578 CB GLN A 42 18.744 -3.115 5.739 1.00 0.00 C ATOM 579 CG GLN A 42 19.242 -3.610 4.391 1.00 0.00 C ATOM 580 CD GLN A 42 20.592 -4.294 4.482 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.560 -3.718 4.979 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.663 -5.530 4.002 1.00 0.00 N ATOM 0 H GLN A 42 18.205 -1.066 4.399 1.00 0.00 H new ATOM 0 HA GLN A 42 16.691 -3.129 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.450 -2.382 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.729 -3.950 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.514 -4.305 3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.311 -2.768 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.835 -5.969 3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.545 -6.041 4.037 1.00 0.00 H new ATOM 591 N SER A 43 17.089 -1.242 7.750 1.00 0.00 N ATOM 592 CA SER A 43 16.612 -0.999 9.107 1.00 0.00 C ATOM 593 C SER A 43 15.087 -0.944 9.144 1.00 0.00 C ATOM 594 O SER A 43 14.441 -1.792 9.758 1.00 0.00 O ATOM 595 CB SER A 43 17.194 0.308 9.648 1.00 0.00 C ATOM 596 OG SER A 43 18.607 0.318 9.545 1.00 0.00 O ATOM 0 H SER A 43 17.665 -0.493 7.365 1.00 0.00 H new ATOM 0 HA SER A 43 16.944 -1.824 9.737 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.780 1.151 9.094 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.901 0.436 10.690 1.00 0.00 H new ATOM 0 HG SER A 43 18.955 1.165 9.896 1.00 0.00 H new ATOM 602 N GLU A 44 14.521 0.061 8.484 1.00 0.00 N ATOM 603 CA GLU A 44 13.073 0.228 8.443 1.00 0.00 C ATOM 604 C GLU A 44 12.684 1.373 7.512 1.00 0.00 C ATOM 605 O GLU A 44 13.543 2.019 6.910 1.00 0.00 O ATOM 606 CB GLU A 44 12.527 0.490 9.848 1.00 0.00 C ATOM 607 CG GLU A 44 12.890 1.860 10.396 1.00 0.00 C ATOM 608 CD GLU A 44 12.970 1.879 11.910 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.179 1.159 12.555 1.00 0.00 O ATOM 610 OE2 GLU A 44 13.822 2.615 12.451 1.00 0.00 O ATOM 0 H GLU A 44 15.043 0.772 7.971 1.00 0.00 H new ATOM 0 HA GLU A 44 12.637 -0.694 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.442 0.390 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.907 -0.275 10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.849 2.171 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.149 2.588 10.066 1.00 0.00 H new ATOM 617 N LEU A 45 11.383 1.619 7.400 1.00 0.00 N ATOM 618 CA LEU A 45 10.878 2.686 6.543 1.00 0.00 C ATOM 619 C LEU A 45 10.817 4.009 7.299 1.00 0.00 C ATOM 620 O LEU A 45 10.073 4.147 8.270 1.00 0.00 O ATOM 621 CB LEU A 45 9.490 2.325 6.010 1.00 0.00 C ATOM 622 CG LEU A 45 9.457 1.555 4.690 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.068 0.990 4.435 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.890 2.451 3.538 1.00 0.00 C ATOM 0 H LEU A 45 10.659 1.094 7.892 1.00 0.00 H new ATOM 0 HA LEU A 45 11.564 2.800 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.975 1.732 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.920 3.246 5.885 1.00 0.00 H new ATOM 0 HG LEU A 45 10.158 0.723 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.064 0.445 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.796 0.314 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.347 1.806 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.860 1.886 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.215 3.304 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.905 2.806 3.715 1.00 0.00 H new ATOM 636 N VAL A 46 11.602 4.981 6.846 1.00 0.00 N ATOM 637 CA VAL A 46 11.635 6.295 7.477 1.00 0.00 C ATOM 638 C VAL A 46 11.153 7.378 6.518 1.00 0.00 C ATOM 639 O VAL A 46 11.492 7.369 5.334 1.00 0.00 O ATOM 640 CB VAL A 46 13.053 6.649 7.964 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.080 8.049 8.558 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.540 5.622 8.975 1.00 0.00 C ATOM 0 H VAL A 46 12.224 4.883 6.044 1.00 0.00 H new ATOM 0 HA VAL A 46 10.965 6.250 8.336 1.00 0.00 H new ATOM 0 HB VAL A 46 13.728 6.631 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.090 8.281 8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.776 8.772 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.394 8.099 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.543 5.887 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.865 5.606 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.561 4.636 8.511 1.00 0.00 H new ATOM 652 N LEU A 47 10.362 8.310 7.037 1.00 0.00 N ATOM 653 CA LEU A 47 9.834 9.403 6.227 1.00 0.00 C ATOM 654 C LEU A 47 10.620 10.688 6.466 1.00 0.00 C ATOM 655 O LEU A 47 11.267 10.849 7.501 1.00 0.00 O ATOM 656 CB LEU A 47 8.354 9.629 6.544 1.00 0.00 C ATOM 657 CG LEU A 47 7.362 8.757 5.775 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.954 8.945 6.318 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.410 9.078 4.288 1.00 0.00 C ATOM 0 H LEU A 47 10.072 8.331 8.015 1.00 0.00 H new ATOM 0 HA LEU A 47 9.937 9.127 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.202 9.463 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.117 10.674 6.347 1.00 0.00 H new ATOM 0 HG LEU A 47 7.645 7.713 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.261 8.316 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.930 8.664 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.661 9.990 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.697 8.448 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.153 10.126 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.414 8.891 3.908 1.00 0.00 H new ATOM 671 N HIS A 48 10.557 11.601 5.502 1.00 0.00 N ATOM 672 CA HIS A 48 11.261 12.874 5.609 1.00 0.00 C ATOM 673 C HIS A 48 10.308 14.043 5.378 1.00 0.00 C ATOM 674 O HIS A 48 9.637 14.117 4.348 1.00 0.00 O ATOM 675 CB HIS A 48 12.411 12.932 4.603 1.00 0.00 C ATOM 676 CG HIS A 48 13.506 11.951 4.888 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.297 12.013 6.016 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.939 10.879 4.185 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.170 11.022 5.993 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.974 10.318 4.892 1.00 0.00 N ATOM 0 H HIS A 48 10.026 11.483 4.639 1.00 0.00 H new ATOM 0 HA HIS A 48 11.667 12.952 6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.018 12.745 3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.828 13.939 4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.544 10.529 3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.917 10.821 6.746 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.505 9.493 4.613 1.00 0.00 H new ATOM 689 N LEU A 49 10.253 14.954 6.343 1.00 0.00 N ATOM 690 CA LEU A 49 9.381 16.120 6.246 1.00 0.00 C ATOM 691 C LEU A 49 10.181 17.411 6.381 1.00 0.00 C ATOM 692 O LEU A 49 11.410 17.387 6.467 1.00 0.00 O ATOM 693 CB LEU A 49 8.298 16.063 7.324 1.00 0.00 C ATOM 694 CG LEU A 49 7.345 14.869 7.257 1.00 0.00 C ATOM 695 CD1 LEU A 49 6.590 14.713 8.568 1.00 0.00 C ATOM 696 CD2 LEU A 49 6.374 15.026 6.096 1.00 0.00 C ATOM 0 H LEU A 49 10.802 14.908 7.202 1.00 0.00 H new ATOM 0 HA LEU A 49 8.908 16.108 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.785 16.059 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.707 16.977 7.266 1.00 0.00 H new ATOM 0 HG LEU A 49 7.935 13.967 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.917 13.858 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.300 14.553 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.012 15.616 8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.704 14.167 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.791 15.937 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.931 15.086 5.161 1.00 0.00 H new ATOM 789 N ALA A 54 9.936 13.423 11.945 1.00 0.00 N ATOM 790 CA ALA A 54 10.081 12.255 11.084 1.00 0.00 C ATOM 791 C ALA A 54 9.470 11.017 11.731 1.00 0.00 C ATOM 792 O ALA A 54 9.486 10.871 12.953 1.00 0.00 O ATOM 793 CB ALA A 54 11.548 12.016 10.762 1.00 0.00 C ATOM 0 HA ALA A 54 9.544 12.449 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.641 11.141 10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.955 12.888 10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.101 11.847 11.686 1.00 0.00 H new ATOM 799 N VAL A 55 8.931 10.127 10.903 1.00 0.00 N ATOM 800 CA VAL A 55 8.315 8.901 11.395 1.00 0.00 C ATOM 801 C VAL A 55 9.033 7.670 10.853 1.00 0.00 C ATOM 802 O VAL A 55 9.733 7.741 9.843 1.00 0.00 O ATOM 803 CB VAL A 55 6.826 8.826 11.007 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.159 7.633 11.676 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.115 10.120 11.374 1.00 0.00 C ATOM 0 H VAL A 55 8.909 10.233 9.889 1.00 0.00 H new ATOM 0 HA VAL A 55 8.399 8.918 12.482 1.00 0.00 H new ATOM 0 HB VAL A 55 6.756 8.693 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.108 7.596 11.390 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.653 6.715 11.359 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.237 7.732 12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.064 10.050 11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.193 10.286 12.448 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.578 10.952 10.844 1.00 0.00 H new ATOM 815 N ARG A 56 8.853 6.541 11.531 1.00 0.00 N ATOM 816 CA ARG A 56 9.484 5.293 11.118 1.00 0.00 C ATOM 817 C ARG A 56 8.539 4.113 11.320 1.00 0.00 C ATOM 818 O ARG A 56 7.657 4.151 12.178 1.00 0.00 O ATOM 819 CB ARG A 56 10.777 5.066 11.904 1.00 0.00 C ATOM 820 CG ARG A 56 11.791 6.187 11.747 1.00 0.00 C ATOM 821 CD ARG A 56 11.577 7.280 12.782 1.00 0.00 C ATOM 822 NE ARG A 56 12.227 6.967 14.051 1.00 0.00 N ATOM 823 CZ ARG A 56 11.916 7.554 15.202 1.00 0.00 C ATOM 824 NH1 ARG A 56 10.967 8.480 15.241 1.00 0.00 N ATOM 825 NH2 ARG A 56 12.553 7.215 16.315 1.00 0.00 N ATOM 0 H ARG A 56 8.276 6.465 12.368 1.00 0.00 H new ATOM 0 HA ARG A 56 9.721 5.369 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.535 4.952 12.961 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.230 4.130 11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.799 5.784 11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.714 6.612 10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.966 8.223 12.399 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.509 7.419 12.947 1.00 0.00 H new ATOM 0 HE ARG A 56 12.961 6.258 14.054 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.475 8.742 14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.729 8.930 16.125 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.283 6.503 16.288 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.313 7.667 17.198 1.00 0.00 H new ATOM 839 N TRP A 57 8.728 3.067 10.524 1.00 0.00 N ATOM 840 CA TRP A 57 7.892 1.875 10.615 1.00 0.00 C ATOM 841 C TRP A 57 8.722 0.611 10.424 1.00 0.00 C ATOM 842 O TRP A 57 9.258 0.349 9.347 1.00 0.00 O ATOM 843 CB TRP A 57 6.775 1.930 9.571 1.00 0.00 C ATOM 844 CG TRP A 57 5.728 2.957 9.875 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.724 2.858 10.796 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.579 4.239 9.254 1.00 0.00 C ATOM 847 NE1 TRP A 57 3.961 4.000 10.785 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.465 4.863 9.849 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.279 4.921 8.255 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.037 6.134 9.476 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.853 6.182 7.886 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.741 6.779 8.495 1.00 0.00 C ATOM 0 H TRP A 57 9.453 3.020 9.808 1.00 0.00 H new ATOM 0 HA TRP A 57 7.449 1.848 11.610 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.210 2.143 8.595 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.303 0.950 9.502 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.555 2.007 11.439 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.150 4.177 11.378 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.138 4.470 7.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.180 6.595 9.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.386 6.717 7.114 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.434 7.767 8.185 1.00 0.00 H new ATOM 863 N PRO A 58 8.833 -0.193 11.492 1.00 0.00 N ATOM 864 CA PRO A 58 9.597 -1.443 11.465 1.00 0.00 C ATOM 865 C PRO A 58 8.929 -2.513 10.608 1.00 0.00 C ATOM 866 O PRO A 58 7.777 -2.879 10.841 1.00 0.00 O ATOM 867 CB PRO A 58 9.622 -1.875 12.934 1.00 0.00 C ATOM 868 CG PRO A 58 8.414 -1.244 13.535 1.00 0.00 C ATOM 869 CD PRO A 58 8.221 0.058 12.808 1.00 0.00 C ATOM 0 HA PRO A 58 10.586 -1.306 11.029 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.590 -2.960 13.028 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.533 -1.539 13.430 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.541 -1.887 13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.551 -1.078 14.603 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.166 0.316 12.718 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.708 0.884 13.327 1.00 0.00 H new ATOM 877 N TYR A 59 9.659 -3.010 9.615 1.00 0.00 N ATOM 878 CA TYR A 59 9.136 -4.036 8.721 1.00 0.00 C ATOM 879 C TYR A 59 8.419 -5.129 9.507 1.00 0.00 C ATOM 880 O TYR A 59 7.507 -5.782 8.997 1.00 0.00 O ATOM 881 CB TYR A 59 10.268 -4.646 7.894 1.00 0.00 C ATOM 882 CG TYR A 59 10.917 -3.668 6.941 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.148 -2.860 6.112 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.300 -3.550 6.871 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.738 -1.965 5.240 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.898 -2.657 6.003 1.00 0.00 C ATOM 887 CZ TYR A 59 12.113 -1.867 5.190 1.00 0.00 C ATOM 888 OH TYR A 59 12.703 -0.976 4.323 1.00 0.00 O ATOM 0 H TYR A 59 10.615 -2.719 9.409 1.00 0.00 H new ATOM 0 HA TYR A 59 8.417 -3.566 8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.027 -5.041 8.569 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.877 -5.490 7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.071 -2.933 6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.918 -4.167 7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.126 -1.346 4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.974 -2.578 5.961 1.00 0.00 H new ATOM 0 HH TYR A 59 13.566 -0.689 4.687 1.00 0.00 H new ATOM 898 N LEU A 60 8.837 -5.324 10.753 1.00 0.00 N ATOM 899 CA LEU A 60 8.235 -6.337 11.613 1.00 0.00 C ATOM 900 C LEU A 60 6.757 -6.043 11.849 1.00 0.00 C ATOM 901 O LEU A 60 5.888 -6.814 11.441 1.00 0.00 O ATOM 902 CB LEU A 60 8.974 -6.404 12.950 1.00 0.00 C ATOM 903 CG LEU A 60 9.028 -7.778 13.620 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.096 -7.803 14.702 1.00 0.00 C ATOM 905 CD2 LEU A 60 7.670 -8.142 14.200 1.00 0.00 C ATOM 0 H LEU A 60 9.591 -4.794 11.190 1.00 0.00 H new ATOM 0 HA LEU A 60 8.318 -7.301 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.996 -6.057 12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.501 -5.704 13.639 1.00 0.00 H new ATOM 0 HG LEU A 60 9.289 -8.519 12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.120 -8.788 15.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.068 -7.588 14.259 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.867 -7.051 15.457 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.727 -9.123 14.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.380 -7.398 14.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.928 -8.167 13.402 1.00 0.00 H new ATOM 917 N CYS A 61 6.480 -4.924 12.509 1.00 0.00 N ATOM 918 CA CYS A 61 5.107 -4.527 12.798 1.00 0.00 C ATOM 919 C CYS A 61 4.245 -4.594 11.542 1.00 0.00 C ATOM 920 O CYS A 61 3.110 -5.072 11.579 1.00 0.00 O ATOM 921 CB CYS A 61 5.075 -3.112 13.379 1.00 0.00 C ATOM 922 SG CYS A 61 5.648 -3.003 15.090 1.00 0.00 S ATOM 0 H CYS A 61 7.188 -4.276 12.854 1.00 0.00 H new ATOM 0 HA CYS A 61 4.701 -5.223 13.532 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.692 -2.462 12.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.055 -2.731 13.324 1.00 0.00 H new ATOM 0 HG CYS A 61 5.586 -1.768 15.491 1.00 0.00 H new ATOM 928 N LEU A 62 4.790 -4.111 10.431 1.00 0.00 N ATOM 929 CA LEU A 62 4.070 -4.115 9.162 1.00 0.00 C ATOM 930 C LEU A 62 3.318 -5.427 8.966 1.00 0.00 C ATOM 931 O LEU A 62 3.891 -6.422 8.522 1.00 0.00 O ATOM 932 CB LEU A 62 5.042 -3.893 8.001 1.00 0.00 C ATOM 933 CG LEU A 62 5.463 -2.445 7.747 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.557 -2.385 6.692 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.266 -1.607 7.324 1.00 0.00 C ATOM 0 H LEU A 62 5.727 -3.712 10.383 1.00 0.00 H new ATOM 0 HA LEU A 62 3.345 -3.302 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.939 -4.484 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.585 -4.283 7.091 1.00 0.00 H new ATOM 0 HG LEU A 62 5.858 -2.034 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.844 -1.347 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.424 -2.950 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.188 -2.815 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.585 -0.580 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.840 -2.017 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.514 -1.623 8.113 1.00 0.00 H new ATOM 947 N ARG A 63 2.031 -5.421 9.298 1.00 0.00 N ATOM 948 CA ARG A 63 1.200 -6.610 9.158 1.00 0.00 C ATOM 949 C ARG A 63 0.927 -6.913 7.687 1.00 0.00 C ATOM 950 O ARG A 63 0.902 -8.073 7.276 1.00 0.00 O ATOM 951 CB ARG A 63 -0.122 -6.426 9.905 1.00 0.00 C ATOM 952 CG ARG A 63 -0.910 -5.205 9.457 1.00 0.00 C ATOM 953 CD ARG A 63 -2.020 -4.868 10.440 1.00 0.00 C ATOM 954 NE ARG A 63 -3.123 -5.822 10.368 1.00 0.00 N ATOM 955 CZ ARG A 63 -4.018 -5.985 11.337 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.939 -5.262 12.445 1.00 0.00 N ATOM 957 NH2 ARG A 63 -4.993 -6.874 11.197 1.00 0.00 N ATOM 0 H ARG A 63 1.541 -4.605 9.666 1.00 0.00 H new ATOM 0 HA ARG A 63 1.740 -7.452 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.736 -7.316 9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.082 -6.345 10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.238 -4.353 9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.338 -5.388 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.616 -4.856 11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.394 -3.865 10.234 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.211 -6.394 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.190 -4.578 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.627 -5.389 13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.056 -7.432 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.680 -6.999 11.941 1.00 0.00 H new ATOM 971 N ARG A 64 0.723 -5.861 6.900 1.00 0.00 N ATOM 972 CA ARG A 64 0.451 -6.015 5.476 1.00 0.00 C ATOM 973 C ARG A 64 0.961 -4.809 4.692 1.00 0.00 C ATOM 974 O ARG A 64 1.123 -3.720 5.244 1.00 0.00 O ATOM 975 CB ARG A 64 -1.050 -6.193 5.239 1.00 0.00 C ATOM 976 CG ARG A 64 -1.835 -4.893 5.303 1.00 0.00 C ATOM 977 CD ARG A 64 -3.261 -5.078 4.807 1.00 0.00 C ATOM 978 NE ARG A 64 -4.050 -5.913 5.708 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.180 -6.514 5.352 1.00 0.00 C ATOM 980 NH1 ARG A 64 -5.649 -6.374 4.120 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.841 -7.258 6.229 1.00 0.00 N ATOM 0 H ARG A 64 0.741 -4.894 7.224 1.00 0.00 H new ATOM 0 HA ARG A 64 0.976 -6.904 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.203 -6.652 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.447 -6.884 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.850 -4.526 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.335 -4.135 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.738 -4.103 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.244 -5.530 3.815 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.715 -6.042 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.142 -5.804 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.517 -6.836 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.482 -7.369 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.709 -7.719 5.955 1.00 0.00 H new ATOM 995 N TYR A 65 1.214 -5.012 3.404 1.00 0.00 N ATOM 996 CA TYR A 65 1.709 -3.943 2.545 1.00 0.00 C ATOM 997 C TYR A 65 1.275 -4.161 1.099 1.00 0.00 C ATOM 998 O TYR A 65 1.542 -5.207 0.509 1.00 0.00 O ATOM 999 CB TYR A 65 3.234 -3.861 2.624 1.00 0.00 C ATOM 1000 CG TYR A 65 3.928 -5.163 2.293 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.864 -6.247 3.160 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.649 -5.309 1.114 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.497 -7.439 2.862 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.283 -6.497 0.807 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.205 -7.559 1.684 1.00 0.00 C ATOM 1006 OH TYR A 65 5.837 -8.743 1.383 1.00 0.00 O ATOM 0 H TYR A 65 1.084 -5.907 2.932 1.00 0.00 H new ATOM 0 HA TYR A 65 1.283 -3.003 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.584 -3.088 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.521 -3.551 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.310 -6.157 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.715 -4.479 0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.438 -8.272 3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.837 -6.594 -0.115 1.00 0.00 H new ATOM 0 HH TYR A 65 5.172 -9.459 1.309 1.00 0.00 H new ATOM 1016 N GLY A 66 0.602 -3.163 0.532 1.00 0.00 N ATOM 1017 CA GLY A 66 0.142 -3.264 -0.840 1.00 0.00 C ATOM 1018 C GLY A 66 0.722 -2.180 -1.727 1.00 0.00 C ATOM 1019 O GLY A 66 1.700 -1.527 -1.363 1.00 0.00 O ATOM 0 H GLY A 66 0.368 -2.287 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.414 -4.241 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.946 -3.203 -0.861 1.00 0.00 H new ATOM 1023 N TYR A 67 0.119 -1.989 -2.896 1.00 0.00 N ATOM 1024 CA TYR A 67 0.585 -0.980 -3.840 1.00 0.00 C ATOM 1025 C TYR A 67 -0.441 -0.755 -4.947 1.00 0.00 C ATOM 1026 O TYR A 67 -1.286 -1.611 -5.208 1.00 0.00 O ATOM 1027 CB TYR A 67 1.924 -1.400 -4.448 1.00 0.00 C ATOM 1028 CG TYR A 67 1.792 -2.406 -5.569 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.432 -3.722 -5.309 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.025 -2.039 -6.889 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.311 -4.645 -6.330 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.904 -2.955 -7.916 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.548 -4.256 -7.632 1.00 0.00 C ATOM 1034 OH TYR A 67 1.426 -5.172 -8.652 1.00 0.00 O ATOM 0 H TYR A 67 -0.693 -2.519 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 67 0.718 -0.044 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.436 -0.514 -4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.553 -1.823 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.243 -4.029 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.305 -1.021 -7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.033 -5.665 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.087 -2.653 -8.937 1.00 0.00 H new ATOM 0 HH TYR A 67 1.626 -4.738 -9.507 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.359 0.402 -5.593 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.278 0.741 -6.674 1.00 0.00 C ATOM 1046 C ASP A 68 -0.586 1.602 -7.726 1.00 0.00 C ATOM 1047 O ASP A 68 0.518 2.100 -7.506 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.501 1.474 -6.120 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.725 1.304 -6.999 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.407 0.265 -6.872 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.001 2.209 -7.813 1.00 0.00 O ATOM 0 H ASP A 68 0.334 1.122 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.603 -0.186 -7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.721 1.102 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.272 2.535 -6.023 1.00 0.00 H new ATOM 1056 N SER A 69 -1.243 1.771 -8.869 1.00 0.00 N ATOM 1057 CA SER A 69 -0.688 2.568 -9.958 1.00 0.00 C ATOM 1058 C SER A 69 -0.171 3.908 -9.442 1.00 0.00 C ATOM 1059 O SER A 69 0.973 4.282 -9.694 1.00 0.00 O ATOM 1060 CB SER A 69 -1.746 2.799 -11.039 1.00 0.00 C ATOM 1061 OG SER A 69 -3.048 2.827 -10.480 1.00 0.00 O ATOM 0 H SER A 69 -2.159 1.368 -9.065 1.00 0.00 H new ATOM 0 HA SER A 69 0.148 2.017 -10.389 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.547 3.740 -11.552 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.685 2.009 -11.787 1.00 0.00 H new ATOM 0 HG SER A 69 -3.706 2.977 -11.191 1.00 0.00 H new ATOM 1067 N ASN A 70 -1.024 4.625 -8.718 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.655 5.923 -8.166 1.00 0.00 C ATOM 1069 C ASN A 70 -1.090 6.039 -6.708 1.00 0.00 C ATOM 1070 O ASN A 70 -1.468 7.115 -6.245 1.00 0.00 O ATOM 1071 CB ASN A 70 -1.287 7.048 -8.989 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.731 7.306 -8.603 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -3.507 6.373 -8.401 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -3.097 8.579 -8.500 1.00 0.00 N ATOM 0 H ASN A 70 -1.975 4.329 -8.500 1.00 0.00 H new ATOM 0 HA ASN A 70 0.430 6.013 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.709 7.962 -8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.237 6.792 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.056 8.815 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.419 9.320 -8.677 1.00 0.00 H new ATOM 1081 N LEU A 71 -1.033 4.923 -5.990 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.420 4.898 -4.584 1.00 0.00 C ATOM 1083 C LEU A 71 -0.634 3.836 -3.822 1.00 0.00 C ATOM 1084 O LEU A 71 -0.593 2.672 -4.222 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.920 4.631 -4.452 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.575 5.108 -3.155 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.965 4.399 -1.956 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.438 6.617 -3.012 1.00 0.00 C ATOM 0 H LEU A 71 -0.723 4.024 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.192 5.872 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.429 5.108 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.088 3.558 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.636 4.862 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.444 4.752 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.116 3.324 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.897 4.613 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.910 6.939 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.382 6.886 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.924 7.108 -3.855 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.013 4.243 -2.719 1.00 0.00 N ATOM 1101 CA PHE A 72 0.770 3.326 -1.900 1.00 0.00 C ATOM 1102 C PHE A 72 0.510 3.565 -0.415 1.00 0.00 C ATOM 1103 O PHE A 72 0.756 4.655 0.101 1.00 0.00 O ATOM 1104 CB PHE A 72 2.262 3.488 -2.200 1.00 0.00 C ATOM 1105 CG PHE A 72 3.152 2.804 -1.202 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.067 1.436 -1.001 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.073 3.529 -0.464 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.884 0.804 -0.083 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.894 2.903 0.456 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.799 1.539 0.646 1.00 0.00 C ATOM 0 H PHE A 72 -0.037 5.202 -2.372 1.00 0.00 H new ATOM 0 HA PHE A 72 0.465 2.309 -2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.470 3.090 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.506 4.550 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.354 0.857 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.151 4.596 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.807 -0.263 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.608 3.480 1.025 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.439 1.047 1.363 1.00 0.00 H new ATOM 1120 N SER A 73 0.010 2.538 0.265 1.00 0.00 N ATOM 1121 CA SER A 73 -0.289 2.637 1.688 1.00 0.00 C ATOM 1122 C SER A 73 0.164 1.381 2.427 1.00 0.00 C ATOM 1123 O SER A 73 0.467 0.360 1.810 1.00 0.00 O ATOM 1124 CB SER A 73 -1.788 2.857 1.903 1.00 0.00 C ATOM 1125 OG SER A 73 -2.100 2.928 3.283 1.00 0.00 O ATOM 0 H SER A 73 -0.196 1.628 -0.147 1.00 0.00 H new ATOM 0 HA SER A 73 0.257 3.491 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.098 3.778 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.348 2.044 1.442 1.00 0.00 H new ATOM 0 HG SER A 73 -2.602 3.750 3.463 1.00 0.00 H new ATOM 1131 N PHE A 74 0.206 1.465 3.752 1.00 0.00 N ATOM 1132 CA PHE A 74 0.622 0.336 4.576 1.00 0.00 C ATOM 1133 C PHE A 74 -0.112 0.339 5.914 1.00 0.00 C ATOM 1134 O PHE A 74 -0.356 1.395 6.496 1.00 0.00 O ATOM 1135 CB PHE A 74 2.134 0.378 4.811 1.00 0.00 C ATOM 1136 CG PHE A 74 2.620 1.693 5.349 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.452 2.015 6.686 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.245 2.608 4.517 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.899 3.224 7.184 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.694 3.819 5.010 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.520 4.128 6.345 1.00 0.00 C ATOM 0 H PHE A 74 -0.043 2.303 4.278 1.00 0.00 H new ATOM 0 HA PHE A 74 0.369 -0.582 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.408 -0.414 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.646 0.167 3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.966 1.313 7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.383 2.373 3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.763 3.462 8.229 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.181 4.523 4.352 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.869 5.074 6.732 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.461 -0.850 6.394 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.168 -0.984 7.662 1.00 0.00 C ATOM 1153 C GLU A 75 -0.197 -1.301 8.796 1.00 0.00 C ATOM 1154 O GLU A 75 0.887 -1.838 8.568 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.231 -2.080 7.565 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.291 -1.998 8.651 1.00 0.00 C ATOM 1157 CD GLU A 75 -4.238 -3.182 8.633 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.335 -3.849 7.582 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -4.881 -3.442 9.672 1.00 0.00 O ATOM 0 H GLU A 75 -0.266 -1.734 5.924 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.655 -0.033 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.716 -2.019 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.743 -3.053 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.804 -1.942 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.863 -1.078 8.527 1.00 0.00 H new ATOM 1166 N SER A 76 -0.594 -0.964 10.019 1.00 0.00 N ATOM 1167 CA SER A 76 0.242 -1.208 11.189 1.00 0.00 C ATOM 1168 C SER A 76 -0.612 -1.366 12.443 1.00 0.00 C ATOM 1169 O SER A 76 -1.722 -0.841 12.523 1.00 0.00 O ATOM 1170 CB SER A 76 1.238 -0.062 11.377 1.00 0.00 C ATOM 1171 OG SER A 76 2.306 -0.158 10.451 1.00 0.00 O ATOM 0 H SER A 76 -1.489 -0.521 10.226 1.00 0.00 H new ATOM 0 HA SER A 76 0.792 -2.135 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.727 0.892 11.250 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.631 -0.081 12.394 1.00 0.00 H new ATOM 0 HG SER A 76 2.087 -0.825 9.767 1.00 0.00 H new ATOM 1177 N GLY A 77 -0.085 -2.096 13.422 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.811 -2.311 14.660 1.00 0.00 C ATOM 1179 C GLY A 77 -0.731 -1.120 15.594 1.00 0.00 C ATOM 1180 O GLY A 77 -0.919 0.021 15.173 1.00 0.00 O ATOM 0 H GLY A 77 0.831 -2.542 13.380 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.856 -2.521 14.433 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.411 -3.191 15.164 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.453 -1.386 16.866 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.352 -0.327 17.863 1.00 0.00 C ATOM 1186 C ARG A 78 1.091 -0.154 18.329 1.00 0.00 C ATOM 1187 O ARG A 78 1.611 0.960 18.370 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.252 -0.636 19.060 1.00 0.00 C ATOM 1189 CG ARG A 78 -2.737 -0.580 18.737 1.00 0.00 C ATOM 1190 CD ARG A 78 -3.555 -0.163 19.950 1.00 0.00 C ATOM 1191 NE ARG A 78 -3.572 1.287 20.126 1.00 0.00 N ATOM 1192 CZ ARG A 78 -3.939 1.886 21.254 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -4.318 1.163 22.299 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -3.928 3.210 21.338 1.00 0.00 N ATOM 0 H ARG A 78 -0.294 -2.325 17.230 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.681 0.604 17.401 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.009 -1.628 19.440 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.036 0.073 19.859 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.907 0.124 17.922 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.072 -1.557 18.389 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.577 -0.527 19.841 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.143 -0.632 20.844 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.287 1.872 19.340 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.328 0.145 22.238 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.599 1.625 23.164 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.638 3.769 20.536 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.210 3.668 22.204 1.00 0.00 H new ATOM 1208 N ARG A 79 1.730 -1.265 18.679 1.00 0.00 N ATOM 1209 CA ARG A 79 3.112 -1.237 19.144 1.00 0.00 C ATOM 1210 C ARG A 79 3.916 -0.177 18.396 1.00 0.00 C ATOM 1211 O ARG A 79 4.841 0.419 18.948 1.00 0.00 O ATOM 1212 CB ARG A 79 3.762 -2.610 18.960 1.00 0.00 C ATOM 1213 CG ARG A 79 3.771 -3.091 17.518 1.00 0.00 C ATOM 1214 CD ARG A 79 2.479 -3.812 17.164 1.00 0.00 C ATOM 1215 NE ARG A 79 2.656 -4.734 16.045 1.00 0.00 N ATOM 1216 CZ ARG A 79 3.373 -5.849 16.118 1.00 0.00 C ATOM 1217 NH1 ARG A 79 3.978 -6.180 17.251 1.00 0.00 N ATOM 1218 NH2 ARG A 79 3.487 -6.637 15.056 1.00 0.00 N ATOM 0 H ARG A 79 1.313 -2.196 18.650 1.00 0.00 H new ATOM 0 HA ARG A 79 3.108 -0.984 20.204 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.788 -2.569 19.327 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.232 -3.339 19.574 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.909 -2.241 16.850 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.617 -3.760 17.362 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.121 -4.362 18.034 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.712 -3.079 16.912 1.00 0.00 H new ATOM 0 HE ARG A 79 2.204 -4.509 15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.893 -5.577 18.069 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.528 -7.037 17.304 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.024 -6.386 14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.038 -7.493 15.113 1.00 0.00 H new ATOM 1232 N CYS A 80 3.556 0.052 17.138 1.00 0.00 N ATOM 1233 CA CYS A 80 4.244 1.039 16.313 1.00 0.00 C ATOM 1234 C CYS A 80 4.074 2.441 16.888 1.00 0.00 C ATOM 1235 O CYS A 80 3.057 2.748 17.510 1.00 0.00 O ATOM 1236 CB CYS A 80 3.714 0.995 14.879 1.00 0.00 C ATOM 1237 SG CYS A 80 1.915 1.118 14.753 1.00 0.00 S ATOM 0 H CYS A 80 2.792 -0.432 16.667 1.00 0.00 H new ATOM 0 HA CYS A 80 5.306 0.794 16.307 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.164 1.810 14.312 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.037 0.065 14.412 1.00 0.00 H new ATOM 0 HG CYS A 80 1.597 1.694 13.632 1.00 0.00 H new ATOM 1243 N GLN A 81 5.077 3.287 16.678 1.00 0.00 N ATOM 1244 CA GLN A 81 5.039 4.656 17.178 1.00 0.00 C ATOM 1245 C GLN A 81 3.672 5.286 16.936 1.00 0.00 C ATOM 1246 O GLN A 81 2.912 5.529 17.875 1.00 0.00 O ATOM 1247 CB GLN A 81 6.127 5.497 16.508 1.00 0.00 C ATOM 1248 CG GLN A 81 5.831 6.988 16.509 1.00 0.00 C ATOM 1249 CD GLN A 81 6.997 7.815 16.006 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.123 7.677 16.484 1.00 0.00 O ATOM 1251 NE2 GLN A 81 6.733 8.682 15.034 1.00 0.00 N ATOM 0 H GLN A 81 5.926 3.049 16.165 1.00 0.00 H new ATOM 0 HA GLN A 81 5.221 4.629 18.252 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.075 5.323 17.018 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.252 5.161 15.479 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.958 7.182 15.886 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.577 7.303 17.521 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.785 8.764 14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.479 9.266 14.655 1.00 0.00 H new ATOM 1260 N THR A 82 3.362 5.550 15.671 1.00 0.00 N ATOM 1261 CA THR A 82 2.087 6.153 15.305 1.00 0.00 C ATOM 1262 C THR A 82 0.919 5.370 15.894 1.00 0.00 C ATOM 1263 O THR A 82 -0.081 5.949 16.313 1.00 0.00 O ATOM 1264 CB THR A 82 1.920 6.230 13.776 1.00 0.00 C ATOM 1265 OG1 THR A 82 1.922 4.912 13.216 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.035 7.054 13.150 1.00 0.00 C ATOM 0 H THR A 82 3.978 5.355 14.882 1.00 0.00 H new ATOM 0 HA THR A 82 2.086 7.163 15.714 1.00 0.00 H new ATOM 0 HB THR A 82 0.968 6.714 13.561 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.005 4.567 13.188 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.895 7.094 12.070 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.012 8.065 13.556 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.997 6.594 13.375 1.00 0.00 H new ATOM 1274 N GLY A 83 1.055 4.047 15.923 1.00 0.00 N ATOM 1275 CA GLY A 83 0.003 3.206 16.463 1.00 0.00 C ATOM 1276 C GLY A 83 -1.056 2.867 15.433 1.00 0.00 C ATOM 1277 O GLY A 83 -0.959 3.279 14.277 1.00 0.00 O ATOM 0 H GLY A 83 1.874 3.544 15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.440 2.284 16.847 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.465 3.712 17.307 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.068 2.115 15.852 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.148 1.720 14.955 1.00 0.00 C ATOM 1283 C GLN A 84 -3.471 2.836 13.967 1.00 0.00 C ATOM 1284 O GLN A 84 -3.351 4.018 14.289 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.398 1.356 15.758 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.804 2.417 16.768 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.298 2.441 17.022 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -7.065 1.754 16.346 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.720 3.234 17.999 1.00 0.00 N ATOM 0 H GLN A 84 -2.163 1.767 16.806 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.818 0.846 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.226 1.187 15.069 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.222 0.416 16.282 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.283 2.236 17.708 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.485 3.395 16.409 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.049 3.786 18.534 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.715 3.292 18.215 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.882 2.453 12.762 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.215 3.433 11.745 1.00 0.00 C ATOM 1300 C GLY A 85 -3.447 3.216 10.457 1.00 0.00 C ATOM 1301 O GLY A 85 -2.279 2.826 10.481 1.00 0.00 O ATOM 0 H GLY A 85 -3.990 1.481 12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.284 3.389 11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.005 4.433 12.126 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.104 3.466 9.329 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.475 3.295 8.025 1.00 0.00 C ATOM 1307 C ILE A 86 -3.044 4.636 7.442 1.00 0.00 C ATOM 1308 O ILE A 86 -3.715 5.651 7.629 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.421 2.596 7.031 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.522 1.104 7.352 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.939 2.806 5.604 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.819 0.474 6.896 1.00 0.00 C ATOM 0 H ILE A 86 -5.071 3.788 9.292 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.596 2.669 8.179 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.414 3.036 7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.689 0.582 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.418 0.964 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.618 2.306 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.915 3.873 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.938 2.390 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.821 -0.584 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.657 0.970 7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.916 0.582 5.816 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.919 4.634 6.734 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.398 5.850 6.122 1.00 0.00 C ATOM 1326 C PHE A 87 -1.064 5.619 4.652 1.00 0.00 C ATOM 1327 O PHE A 87 -0.230 4.778 4.318 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.152 6.330 6.871 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.314 6.332 8.364 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.081 7.301 8.990 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.302 5.365 9.142 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.233 7.306 10.364 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.154 5.364 10.516 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.613 6.337 11.128 1.00 0.00 C ATOM 0 H PHE A 87 -1.351 3.803 6.570 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.169 6.618 6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.690 5.691 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.096 7.338 6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.566 8.062 8.397 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.905 4.603 8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.835 8.066 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.637 4.603 11.111 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.727 6.340 12.202 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.721 6.373 3.776 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.493 6.252 2.342 1.00 0.00 C ATOM 1346 C ALA A 88 -0.604 7.381 1.830 1.00 0.00 C ATOM 1347 O ALA A 88 -0.385 8.374 2.523 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.820 6.243 1.596 1.00 0.00 C ATOM 0 H ALA A 88 -2.415 7.074 4.035 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.979 5.309 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.635 6.152 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.421 5.399 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.355 7.172 1.794 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.094 7.220 0.613 1.00 0.00 N ATOM 1355 CA PHE A 89 0.773 8.225 0.009 1.00 0.00 C ATOM 1356 C PHE A 89 0.744 8.125 -1.513 1.00 0.00 C ATOM 1357 O PHE A 89 0.797 7.031 -2.076 1.00 0.00 O ATOM 1358 CB PHE A 89 2.207 8.062 0.516 1.00 0.00 C ATOM 1359 CG PHE A 89 2.325 8.120 2.012 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.172 6.974 2.776 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.589 9.319 2.654 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.279 7.025 4.153 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.698 9.375 4.031 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.544 8.226 4.781 1.00 0.00 C ATOM 0 H PHE A 89 -0.266 6.404 0.026 1.00 0.00 H new ATOM 0 HA PHE A 89 0.403 9.209 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.601 7.108 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.829 8.844 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.967 6.031 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.711 10.220 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.155 6.126 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.903 10.316 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.631 8.266 5.857 1.00 0.00 H new ATOM 1374 N LYS A 90 0.659 9.274 -2.174 1.00 0.00 N ATOM 1375 CA LYS A 90 0.623 9.318 -3.631 1.00 0.00 C ATOM 1376 C LYS A 90 2.034 9.379 -4.208 1.00 0.00 C ATOM 1377 O LYS A 90 2.768 10.341 -3.978 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.186 10.527 -4.106 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.670 10.243 -4.258 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.376 11.355 -5.016 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.830 11.006 -5.293 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.988 10.261 -6.573 1.00 0.00 N ATOM 0 H LYS A 90 0.614 10.188 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 90 0.143 8.406 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.052 11.345 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.211 10.866 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.809 9.298 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.122 10.129 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.326 12.278 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.859 11.539 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.222 10.405 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.422 11.920 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.950 10.404 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.296 10.611 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.829 9.247 -6.406 1.00 0.00 H new ATOM 1396 N CYS A 91 2.406 8.348 -4.959 1.00 0.00 N ATOM 1397 CA CYS A 91 3.730 8.285 -5.570 1.00 0.00 C ATOM 1398 C CYS A 91 3.631 7.898 -7.042 1.00 0.00 C ATOM 1399 O CYS A 91 2.537 7.700 -7.570 1.00 0.00 O ATOM 1400 CB CYS A 91 4.611 7.283 -4.824 1.00 0.00 C ATOM 1401 SG CYS A 91 3.804 5.701 -4.483 1.00 0.00 S ATOM 0 H CYS A 91 1.810 7.545 -5.160 1.00 0.00 H new ATOM 0 HA CYS A 91 4.182 9.275 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.512 7.100 -5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.929 7.727 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 91 4.629 4.920 -3.851 1.00 0.00 H new ATOM 1407 N SER A 92 4.782 7.794 -7.699 1.00 0.00 N ATOM 1408 CA SER A 92 4.825 7.436 -9.112 1.00 0.00 C ATOM 1409 C SER A 92 5.509 6.087 -9.310 1.00 0.00 C ATOM 1410 O SER A 92 5.341 5.439 -10.343 1.00 0.00 O ATOM 1411 CB SER A 92 5.560 8.515 -9.911 1.00 0.00 C ATOM 1412 OG SER A 92 5.213 8.459 -11.283 1.00 0.00 O ATOM 0 H SER A 92 5.696 7.952 -7.276 1.00 0.00 H new ATOM 0 HA SER A 92 3.800 7.361 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.315 9.499 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.636 8.385 -9.799 1.00 0.00 H new ATOM 0 HG SER A 92 5.695 9.159 -11.771 1.00 0.00 H new ATOM 1418 N ARG A 93 6.281 5.670 -8.311 1.00 0.00 N ATOM 1419 CA ARG A 93 6.992 4.398 -8.375 1.00 0.00 C ATOM 1420 C ARG A 93 6.552 3.473 -7.244 1.00 0.00 C ATOM 1421 O ARG A 93 7.379 2.825 -6.603 1.00 0.00 O ATOM 1422 CB ARG A 93 8.502 4.630 -8.302 1.00 0.00 C ATOM 1423 CG ARG A 93 9.132 4.971 -9.642 1.00 0.00 C ATOM 1424 CD ARG A 93 8.983 6.449 -9.967 1.00 0.00 C ATOM 1425 NE ARG A 93 9.701 6.817 -11.185 1.00 0.00 N ATOM 1426 CZ ARG A 93 9.228 6.608 -12.409 1.00 0.00 C ATOM 1427 NH1 ARG A 93 8.043 6.037 -12.576 1.00 0.00 N ATOM 1428 NH2 ARG A 93 9.940 6.970 -13.468 1.00 0.00 N ATOM 0 H ARG A 93 6.430 6.194 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 93 6.751 3.922 -9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.703 5.439 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.980 3.735 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.189 4.705 -9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.665 4.376 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.926 6.690 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.356 7.043 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 93 10.616 7.259 -11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.493 5.757 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.682 5.877 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.852 7.409 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.576 6.809 -14.407 1.00 0.00 H new ATOM 1442 N ALA A 94 5.246 3.417 -7.005 1.00 0.00 N ATOM 1443 CA ALA A 94 4.697 2.570 -5.953 1.00 0.00 C ATOM 1444 C ALA A 94 5.210 1.140 -6.077 1.00 0.00 C ATOM 1445 O ALA A 94 5.862 0.625 -5.169 1.00 0.00 O ATOM 1446 CB ALA A 94 3.177 2.594 -5.997 1.00 0.00 C ATOM 0 H ALA A 94 4.548 3.948 -7.526 1.00 0.00 H new ATOM 0 HA ALA A 94 5.028 2.964 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.780 1.957 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.825 3.615 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.835 2.226 -6.965 1.00 0.00 H new ATOM 1452 N GLU A 95 4.911 0.504 -7.205 1.00 0.00 N ATOM 1453 CA GLU A 95 5.341 -0.869 -7.444 1.00 0.00 C ATOM 1454 C GLU A 95 6.795 -1.065 -7.023 1.00 0.00 C ATOM 1455 O GLU A 95 7.101 -1.920 -6.194 1.00 0.00 O ATOM 1456 CB GLU A 95 5.174 -1.229 -8.922 1.00 0.00 C ATOM 1457 CG GLU A 95 5.029 -2.720 -9.173 1.00 0.00 C ATOM 1458 CD GLU A 95 4.197 -3.027 -10.403 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.412 -2.150 -10.821 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.330 -4.143 -10.947 1.00 0.00 O ATOM 0 H GLU A 95 4.373 0.917 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 95 4.715 -1.529 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.296 -0.716 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.035 -0.858 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.018 -3.163 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.570 -3.188 -8.302 1.00 0.00 H new ATOM 1467 N GLU A 96 7.685 -0.266 -7.603 1.00 0.00 N ATOM 1468 CA GLU A 96 9.107 -0.352 -7.289 1.00 0.00 C ATOM 1469 C GLU A 96 9.320 -0.622 -5.802 1.00 0.00 C ATOM 1470 O GLU A 96 9.967 -1.599 -5.424 1.00 0.00 O ATOM 1471 CB GLU A 96 9.820 0.940 -7.692 1.00 0.00 C ATOM 1472 CG GLU A 96 9.779 1.218 -9.185 1.00 0.00 C ATOM 1473 CD GLU A 96 10.999 1.977 -9.671 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.704 2.568 -8.827 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.248 1.979 -10.895 1.00 0.00 O ATOM 0 H GLU A 96 7.447 0.447 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 96 9.529 -1.182 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.364 1.777 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.860 0.887 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.704 0.274 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.882 1.791 -9.420 1.00 0.00 H new ATOM 1482 N ILE A 97 8.772 0.252 -4.964 1.00 0.00 N ATOM 1483 CA ILE A 97 8.901 0.108 -3.519 1.00 0.00 C ATOM 1484 C ILE A 97 8.271 -1.194 -3.038 1.00 0.00 C ATOM 1485 O ILE A 97 8.740 -1.806 -2.078 1.00 0.00 O ATOM 1486 CB ILE A 97 8.247 1.288 -2.776 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.790 2.617 -3.305 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.489 1.169 -1.278 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.788 3.748 -3.239 1.00 0.00 C ATOM 0 H ILE A 97 8.235 1.067 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 97 9.968 0.096 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 97 7.172 1.260 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.675 2.893 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.108 2.484 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.021 2.010 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.058 0.237 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.561 1.175 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.241 4.659 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.912 3.493 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.488 3.908 -2.204 1.00 0.00 H new ATOM 1501 N PHE A 98 7.205 -1.614 -3.712 1.00 0.00 N ATOM 1502 CA PHE A 98 6.510 -2.845 -3.353 1.00 0.00 C ATOM 1503 C PHE A 98 7.345 -4.068 -3.723 1.00 0.00 C ATOM 1504 O PHE A 98 7.296 -5.093 -3.045 1.00 0.00 O ATOM 1505 CB PHE A 98 5.151 -2.911 -4.053 1.00 0.00 C ATOM 1506 CG PHE A 98 4.754 -4.300 -4.463 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.041 -5.115 -3.598 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.094 -4.792 -5.713 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.675 -6.394 -3.973 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.731 -6.070 -6.093 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.019 -6.871 -5.222 1.00 0.00 C ATOM 0 H PHE A 98 6.804 -1.120 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 98 6.356 -2.845 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.389 -2.505 -3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.175 -2.273 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.768 -4.747 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.649 -4.169 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.120 -7.020 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.004 -6.442 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.732 -7.869 -5.518 1.00 0.00 H new ATOM 1521 N ASN A 99 8.109 -3.951 -4.804 1.00 0.00 N ATOM 1522 CA ASN A 99 8.954 -5.047 -5.265 1.00 0.00 C ATOM 1523 C ASN A 99 10.277 -5.070 -4.507 1.00 0.00 C ATOM 1524 O ASN A 99 10.969 -6.088 -4.475 1.00 0.00 O ATOM 1525 CB ASN A 99 9.216 -4.919 -6.767 1.00 0.00 C ATOM 1526 CG ASN A 99 8.128 -5.567 -7.601 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.508 -6.545 -7.182 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.890 -5.023 -8.789 1.00 0.00 N ATOM 0 H ASN A 99 8.161 -3.109 -5.377 1.00 0.00 H new ATOM 0 HA ASN A 99 8.429 -5.983 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.293 -3.864 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.175 -5.378 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.169 -5.415 -9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.428 -4.213 -9.096 1.00 0.00 H new ATOM 1535 N LEU A 100 10.623 -3.942 -3.897 1.00 0.00 N ATOM 1536 CA LEU A 100 11.863 -3.832 -3.137 1.00 0.00 C ATOM 1537 C LEU A 100 11.625 -4.127 -1.660 1.00 0.00 C ATOM 1538 O LEU A 100 12.491 -4.677 -0.978 1.00 0.00 O ATOM 1539 CB LEU A 100 12.461 -2.433 -3.299 1.00 0.00 C ATOM 1540 CG LEU A 100 13.987 -2.345 -3.240 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.449 -0.920 -3.506 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.498 -2.830 -1.892 1.00 0.00 C ATOM 0 H LEU A 100 10.062 -3.090 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 100 12.565 -4.569 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.130 -2.027 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.049 -1.791 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 100 14.400 -2.991 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.537 -0.876 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.114 -0.608 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.027 -0.254 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.586 -2.760 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.077 -2.211 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.198 -3.867 -1.741 1.00 0.00 H new ATOM 1554 N LEU A 101 10.445 -3.761 -1.171 1.00 0.00 N ATOM 1555 CA LEU A 101 10.092 -3.989 0.226 1.00 0.00 C ATOM 1556 C LEU A 101 10.176 -5.471 0.574 1.00 0.00 C ATOM 1557 O LEU A 101 10.988 -5.878 1.405 1.00 0.00 O ATOM 1558 CB LEU A 101 8.681 -3.467 0.507 1.00 0.00 C ATOM 1559 CG LEU A 101 8.584 -2.015 0.976 1.00 0.00 C ATOM 1560 CD1 LEU A 101 7.142 -1.534 0.930 1.00 0.00 C ATOM 1561 CD2 LEU A 101 9.152 -1.869 2.380 1.00 0.00 C ATOM 0 H LEU A 101 9.717 -3.305 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 101 10.805 -3.448 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.088 -3.575 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.224 -4.104 1.264 1.00 0.00 H new ATOM 0 HG LEU A 101 9.174 -1.395 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.093 -0.499 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.769 -1.601 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.530 -2.157 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.075 -0.829 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.590 -2.501 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.199 -2.172 2.382 1.00 0.00 H new ATOM 1573 N GLN A 102 9.333 -6.274 -0.068 1.00 0.00 N ATOM 1574 CA GLN A 102 9.315 -7.712 0.173 1.00 0.00 C ATOM 1575 C GLN A 102 10.717 -8.301 0.063 1.00 0.00 C ATOM 1576 O GLN A 102 10.999 -9.365 0.613 1.00 0.00 O ATOM 1577 CB GLN A 102 8.379 -8.405 -0.819 1.00 0.00 C ATOM 1578 CG GLN A 102 8.830 -8.287 -2.266 1.00 0.00 C ATOM 1579 CD GLN A 102 8.078 -9.224 -3.190 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.238 -10.443 -3.122 1.00 0.00 O ATOM 1581 NE2 GLN A 102 7.251 -8.658 -4.061 1.00 0.00 N ATOM 0 H GLN A 102 8.654 -5.953 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 102 8.949 -7.880 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.302 -9.460 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.381 -7.978 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.690 -7.260 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.897 -8.500 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.149 -7.643 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.717 -9.238 -4.709 1.00 0.00 H new ATOM 1590 N ASP A 103 11.592 -7.602 -0.651 1.00 0.00 N ATOM 1591 CA ASP A 103 12.967 -8.055 -0.833 1.00 0.00 C ATOM 1592 C ASP A 103 13.812 -7.733 0.395 1.00 0.00 C ATOM 1593 O ASP A 103 14.763 -8.449 0.713 1.00 0.00 O ATOM 1594 CB ASP A 103 13.580 -7.405 -2.074 1.00 0.00 C ATOM 1595 CG ASP A 103 13.358 -8.228 -3.328 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.244 -8.164 -3.889 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.297 -8.937 -3.748 1.00 0.00 O ATOM 0 H ASP A 103 11.374 -6.719 -1.113 1.00 0.00 H new ATOM 0 HA ASP A 103 12.953 -9.136 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.148 -6.414 -2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.650 -7.268 -1.918 1.00 0.00 H new ATOM 1602 N LEU A 104 13.460 -6.652 1.083 1.00 0.00 N ATOM 1603 CA LEU A 104 14.187 -6.234 2.276 1.00 0.00 C ATOM 1604 C LEU A 104 13.612 -6.896 3.524 1.00 0.00 C ATOM 1605 O LEU A 104 14.349 -7.272 4.435 1.00 0.00 O ATOM 1606 CB LEU A 104 14.134 -4.712 2.423 1.00 0.00 C ATOM 1607 CG LEU A 104 14.796 -3.907 1.304 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.603 -2.416 1.534 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.276 -4.246 1.206 1.00 0.00 C ATOM 0 H LEU A 104 12.675 -6.049 0.835 1.00 0.00 H new ATOM 0 HA LEU A 104 15.225 -6.547 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.089 -4.410 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.607 -4.441 3.367 1.00 0.00 H new ATOM 0 HG LEU A 104 14.320 -4.173 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.081 -1.859 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.538 -2.186 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.052 -2.134 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.730 -3.664 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.767 -4.009 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.393 -5.309 0.993 1.00 0.00 H new ATOM 1621 N MET A 105 12.291 -7.038 3.557 1.00 0.00 N ATOM 1622 CA MET A 105 11.618 -7.659 4.692 1.00 0.00 C ATOM 1623 C MET A 105 12.124 -9.080 4.913 1.00 0.00 C ATOM 1624 O MET A 105 12.409 -9.478 6.043 1.00 0.00 O ATOM 1625 CB MET A 105 10.104 -7.673 4.469 1.00 0.00 C ATOM 1626 CG MET A 105 9.503 -6.289 4.291 1.00 0.00 C ATOM 1627 SD MET A 105 7.786 -6.342 3.742 1.00 0.00 S ATOM 1628 CE MET A 105 6.935 -6.501 5.310 1.00 0.00 C ATOM 0 H MET A 105 11.666 -6.732 2.812 1.00 0.00 H new ATOM 0 HA MET A 105 11.842 -7.070 5.582 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.881 -8.273 3.587 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.625 -8.162 5.317 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.562 -5.748 5.235 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.095 -5.731 3.566 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.175 -7.279 5.234 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.651 -6.768 6.087 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.460 -5.553 5.564 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.311 11.427 7.665 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.762 11.280 7.670 1.00 0.00 C ATOM 2277 C PHE B 2 -4.165 9.882 8.131 1.00 0.00 C ATOM 2278 O PHE B 2 -3.543 8.889 7.755 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.329 11.553 6.275 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.830 11.541 6.225 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.521 10.352 6.057 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.549 12.719 6.346 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.902 10.339 6.009 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.931 12.712 6.300 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.608 11.520 6.132 1.00 0.00 C ATOM 0 HA PHE B 2 -4.174 12.007 8.370 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.970 12.522 5.929 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.944 10.804 5.582 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.974 9.425 5.963 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.024 13.654 6.478 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.429 9.406 5.875 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.480 13.637 6.395 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.687 11.511 6.097 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.211 9.814 8.948 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.697 8.539 9.462 1.00 0.00 C ATOM 2297 C ARG B 3 -6.779 7.963 8.552 1.00 0.00 C ATOM 2298 O ARG B 3 -7.890 8.489 8.481 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.247 8.712 10.879 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.151 9.924 11.038 1.00 0.00 C ATOM 2301 CD ARG B 3 -6.386 11.122 11.578 1.00 0.00 C ATOM 2302 NE ARG B 3 -7.188 12.343 11.544 1.00 0.00 N ATOM 2303 CZ ARG B 3 -8.217 12.569 12.353 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -8.567 11.662 13.255 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -8.897 13.704 12.262 1.00 0.00 N ATOM 0 H ARG B 3 -5.738 10.626 9.268 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.859 7.843 9.487 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.803 7.816 11.156 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.413 8.798 11.575 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -7.594 10.178 10.075 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -7.972 9.681 11.712 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -6.074 10.921 12.603 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -5.479 11.267 10.992 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.944 13.061 10.862 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -8.046 10.788 13.329 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -9.358 11.838 13.875 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -8.630 14.404 11.570 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -9.687 13.876 12.884 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.446 6.880 7.859 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.388 6.232 6.953 1.00 0.00 C ATOM 2321 C LEU B 4 -8.324 5.300 7.717 1.00 0.00 C ATOM 2322 O LEU B 4 -8.114 5.024 8.898 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.635 5.447 5.878 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.265 6.226 4.615 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.383 5.383 3.707 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.519 6.673 3.877 1.00 0.00 C ATOM 0 H LEU B 4 -5.531 6.432 7.907 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.987 7.008 6.475 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.720 5.052 6.319 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.244 4.591 5.588 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.705 7.113 4.910 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.130 5.954 2.814 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.469 5.113 4.236 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.917 4.477 3.420 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.236 7.226 2.981 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.106 5.799 3.594 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.114 7.315 4.527 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.357 4.818 7.033 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.325 3.916 7.647 1.00 0.00 C ATOM 2340 C ARG B 5 -10.063 2.472 7.229 1.00 0.00 C ATOM 2341 O ARG B 5 -10.140 1.555 8.047 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.748 4.321 7.258 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.359 5.363 8.181 1.00 0.00 C ATOM 2344 CD ARG B 5 -13.790 5.689 7.783 1.00 0.00 C ATOM 2345 NE ARG B 5 -13.851 6.760 6.791 1.00 0.00 N ATOM 2346 CZ ARG B 5 -13.782 8.050 7.098 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -13.650 8.429 8.362 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -13.845 8.966 6.139 1.00 0.00 N ATOM 0 H ARG B 5 -9.545 5.037 6.055 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.217 3.988 8.729 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.740 4.710 6.240 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.381 3.434 7.256 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.340 4.997 9.208 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -11.757 6.271 8.155 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.267 4.795 7.381 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.355 5.982 8.668 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.952 6.503 5.809 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -13.601 7.729 9.102 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -13.597 9.421 8.594 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -13.947 8.679 5.165 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.792 9.957 6.376 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.753 2.278 5.951 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.480 0.945 5.425 1.00 0.00 C ATOM 2364 C HIS B 6 -8.250 0.960 4.521 1.00 0.00 C ATOM 2365 O HIS B 6 -7.620 2.000 4.330 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.690 0.421 4.651 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.993 0.646 5.354 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -12.759 -0.380 5.866 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -12.665 1.788 5.630 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -13.846 0.121 6.425 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -13.813 1.435 6.296 1.00 0.00 N ATOM 0 H HIS B 6 -9.685 3.026 5.261 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.283 0.282 6.267 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -10.725 0.905 3.675 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -10.562 -0.647 4.472 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.356 2.791 5.374 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.629 -0.447 6.906 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.524 2.082 6.636 1.00 0.00 H new ATOM 2380 N PHE B 7 -7.915 -0.201 3.969 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.760 -0.322 3.087 1.00 0.00 C ATOM 2382 C PHE B 7 -7.171 -0.156 1.626 1.00 0.00 C ATOM 2383 O PHE B 7 -7.989 -0.907 1.096 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.080 -1.678 3.285 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.604 -1.656 3.006 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.805 -0.646 3.517 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.017 -2.644 2.232 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.446 -0.622 3.262 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.659 -2.625 1.975 1.00 0.00 C ATOM 2390 CZ PHE B 7 -1.873 -1.613 2.489 1.00 0.00 C ATOM 0 H PHE B 7 -8.426 -1.071 4.117 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.056 0.471 3.341 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.243 -2.011 4.310 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.554 -2.412 2.633 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.249 0.131 4.121 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.627 -3.437 1.825 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -1.834 0.170 3.667 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.213 -3.402 1.372 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.812 -1.596 2.287 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.590 0.853 0.960 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.880 1.143 -0.447 1.00 0.00 C ATOM 2402 C PRO B 8 -6.326 0.076 -1.385 1.00 0.00 C ATOM 2403 O PRO B 8 -7.025 -0.401 -2.280 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.176 2.482 -0.686 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.081 2.519 0.325 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.605 1.788 1.530 1.00 0.00 C ATOM 0 HA PRO B 8 -7.952 1.167 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.781 2.547 -1.700 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.862 3.319 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.179 2.042 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -4.816 3.546 0.576 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -4.810 1.262 2.058 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.065 2.470 2.245 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.068 -0.296 -1.174 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.421 -1.307 -2.001 1.00 0.00 C ATOM 2416 C CYS B 9 -5.210 -2.613 -1.981 1.00 0.00 C ATOM 2417 O CYS B 9 -5.725 -3.022 -0.942 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.991 -1.554 -1.517 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.957 -0.071 -1.486 1.00 0.00 S ATOM 0 H CYS B 9 -4.476 0.088 -0.437 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.391 -0.937 -3.026 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.027 -1.980 -0.514 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.523 -2.297 -2.163 1.00 0.00 H new ATOM 0 HG CYS B 9 -0.946 -0.264 -0.692 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.300 -3.262 -3.138 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.030 -4.513 -3.231 1.00 0.00 C ATOM 2427 C GLY B 10 -5.111 -5.718 -3.271 1.00 0.00 C ATOM 2428 O GLY B 10 -5.329 -6.696 -2.558 1.00 0.00 O ATOM 0 H GLY B 10 -4.881 -2.944 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.703 -4.602 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.650 -4.503 -4.127 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.081 -5.648 -4.108 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.127 -6.743 -4.240 1.00 0.00 C ATOM 2434 C ASN B 11 -1.991 -6.599 -3.231 1.00 0.00 C ATOM 2435 O ASN B 11 -0.951 -6.014 -3.531 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.560 -6.785 -5.660 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.567 -7.302 -6.669 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.769 -7.071 -6.538 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -3.080 -8.007 -7.684 1.00 0.00 N ATOM 0 H ASN B 11 -3.886 -4.844 -4.705 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.653 -7.676 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.240 -5.784 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.674 -7.420 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -3.710 -8.381 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.076 -8.174 -7.753 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.199 -7.138 -2.033 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.193 -7.071 -0.981 1.00 0.00 C ATOM 2448 C VAL B 12 -0.531 -8.428 -0.766 1.00 0.00 C ATOM 2449 O VAL B 12 -1.168 -9.470 -0.911 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.804 -6.594 0.351 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.796 -5.467 0.109 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -2.468 -7.754 1.077 1.00 0.00 C ATOM 0 H VAL B 12 -3.055 -7.625 -1.768 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.442 -6.351 -1.307 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.003 -6.211 0.983 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.218 -5.143 1.060 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.286 -4.629 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.597 -5.820 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.894 -7.400 2.016 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.259 -8.169 0.453 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.727 -8.526 1.284 1.00 0.00 H new ATOM 2462 N ASN B 13 0.752 -8.406 -0.421 1.00 0.00 N ATOM 2463 CA ASN B 13 1.501 -9.635 -0.186 1.00 0.00 C ATOM 2464 C ASN B 13 1.961 -9.724 1.266 1.00 0.00 C ATOM 2465 O ASN B 13 3.014 -9.199 1.628 1.00 0.00 O ATOM 2466 CB ASN B 13 2.711 -9.706 -1.121 1.00 0.00 C ATOM 2467 CG ASN B 13 3.566 -8.455 -1.054 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.132 -7.419 -0.552 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.789 -8.548 -1.563 1.00 0.00 N ATOM 0 H ASN B 13 1.295 -7.551 -0.298 1.00 0.00 H new ATOM 0 HA ASN B 13 0.841 -10.478 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.318 -10.573 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.368 -9.854 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.411 -7.740 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.107 -9.428 -1.969 1.00 0.00 H new ATOM 2476 N TYR B 14 1.164 -10.392 2.092 1.00 0.00 N ATOM 2477 CA TYR B 14 1.487 -10.548 3.506 1.00 0.00 C ATOM 2478 C TYR B 14 2.927 -11.017 3.687 1.00 0.00 C ATOM 2479 O TYR B 14 3.417 -11.860 2.936 1.00 0.00 O ATOM 2480 CB TYR B 14 0.528 -11.544 4.162 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.927 -11.280 3.849 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.560 -10.131 4.308 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.669 -12.179 3.093 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.889 -9.886 4.025 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.999 -11.941 2.804 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.605 -10.794 3.273 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.929 -10.553 2.987 1.00 0.00 O ATOM 0 H TYR B 14 0.290 -10.834 1.808 1.00 0.00 H new ATOM 0 HA TYR B 14 1.377 -9.576 3.988 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.784 -12.552 3.835 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.670 -11.514 5.242 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.003 -9.417 4.896 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.198 -13.079 2.725 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.365 -8.988 4.390 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.561 -12.649 2.214 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.286 -11.289 2.448 1.00 0.00 H new ATOM 2497 N GLY B 15 3.601 -10.464 4.691 1.00 0.00 N ATOM 2498 CA GLY B 15 4.979 -10.837 4.954 1.00 0.00 C ATOM 2499 C GLY B 15 5.131 -11.619 6.244 1.00 0.00 C ATOM 2500 O GLY B 15 5.466 -12.803 6.225 1.00 0.00 O ATOM 0 H GLY B 15 3.218 -9.765 5.327 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.355 -11.435 4.124 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.593 -9.938 5.003 1.00 0.00 H new