USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 775 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 90:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 X(o=-0.45,f=-0.86) USER MOD Set 1.3: B 13 ASN : amide:sc= -0.447 K(o=-0.45,f=-2.9!) USER MOD Set 2.1: A 76 SER OG : rot 39:sc= 1.1 USER MOD Set 2.2: A 80 CYS SG : rot -76:sc= 0.773 USER MOD Set 2.3: A 82 THR OG1 : rot 143:sc= 0.814 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -0.27 K(o=-0.094,f=-4.3!) USER MOD Set 4.2: A 19 THR OG1 : rot -19:sc= 0.176 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= -0.548 K(o=-0.55,f=0.077) USER MOD Single : A 38 MET CE :methyl -164:sc= 0 (180deg=-0.51) USER MOD Single : A 41 THR OG1 : rot -60:sc= 1.42 USER MOD Single : A 42 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.6!) USER MOD Single : A 43 SER OG : rot -111:sc= 1.26 USER MOD Single : A 48 HIS : no HD1:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 169:sc= 1.19 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.722 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.2) USER MOD Single : A 73 SER OG : rot 35:sc= 0.154 USER MOD Single : A 81 GLN : amide:sc= 0.722 K(o=0.72,f=-2.8!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 90 LYS NZ :NH3+ 143:sc= 0.846 (180deg=0.136) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0453 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 105 MET CE :methyl 148:sc= -0.0712 (180deg=-1.52) USER MOD Single : B 6 HIS : no HD1:sc= 1.02 K(o=1,f=-3.4!) USER MOD Single : B 9 CYS SG : rot 167:sc= 0.0152 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.887 -16.268 -5.791 1.00 0.00 N ATOM 203 CA HIS A 17 -3.430 -15.522 -6.976 1.00 0.00 C ATOM 204 C HIS A 17 -2.786 -14.155 -6.612 1.00 0.00 C ATOM 205 O HIS A 17 -3.292 -13.475 -5.712 1.00 0.00 O ATOM 206 CB HIS A 17 -4.624 -15.323 -7.928 1.00 0.00 C ATOM 207 CG HIS A 17 -4.248 -14.921 -9.320 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.048 -13.609 -9.754 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.001 -15.776 -10.355 1.00 0.00 C ATOM 210 CE1 HIS A 17 -3.694 -13.710 -11.046 1.00 0.00 C ATOM 211 NE2 HIS A 17 -3.657 -15.001 -11.433 1.00 0.00 N ATOM 0 HA HIS A 17 -2.650 -16.106 -7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.195 -16.250 -7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.283 -14.563 -7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.064 -16.854 -10.330 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.469 -12.871 -11.688 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.416 -15.341 -12.364 1.00 0.00 H new ATOM 219 N PRO A 18 -1.706 -13.720 -7.298 1.00 0.00 N ATOM 220 CA PRO A 18 -0.996 -12.478 -6.979 1.00 0.00 C ATOM 221 C PRO A 18 -1.798 -11.187 -7.222 1.00 0.00 C ATOM 222 O PRO A 18 -1.352 -10.135 -6.765 1.00 0.00 O ATOM 223 CB PRO A 18 0.287 -12.508 -7.822 1.00 0.00 C ATOM 224 CG PRO A 18 -0.092 -13.391 -9.008 1.00 0.00 C ATOM 225 CD PRO A 18 -0.990 -14.432 -8.351 1.00 0.00 C ATOM 0 HA PRO A 18 -0.799 -12.445 -5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.581 -11.509 -8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.126 -12.923 -7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.615 -12.831 -9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.782 -13.843 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.682 -14.865 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.403 -15.254 -7.940 1.00 0.00 H new ATOM 233 N THR A 19 -2.962 -11.241 -7.897 1.00 0.00 N ATOM 234 CA THR A 19 -3.820 -10.060 -8.139 1.00 0.00 C ATOM 235 C THR A 19 -5.293 -10.257 -7.781 1.00 0.00 C ATOM 236 O THR A 19 -5.982 -9.262 -7.555 1.00 0.00 O ATOM 237 CB THR A 19 -3.688 -9.539 -9.576 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.180 -10.488 -10.490 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.242 -9.230 -9.958 1.00 0.00 C ATOM 0 H THR A 19 -3.336 -12.104 -8.291 1.00 0.00 H new ATOM 0 HA THR A 19 -3.439 -9.308 -7.449 1.00 0.00 H new ATOM 0 HB THR A 19 -4.268 -8.617 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.215 -11.368 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.207 -8.865 -10.984 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.844 -8.468 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.642 -10.136 -9.874 1.00 0.00 H new ATOM 247 N LYS A 20 -5.774 -11.502 -7.669 1.00 0.00 N ATOM 248 CA LYS A 20 -7.150 -11.819 -7.246 1.00 0.00 C ATOM 249 C LYS A 20 -7.162 -12.584 -5.911 1.00 0.00 C ATOM 250 O LYS A 20 -6.662 -13.704 -5.811 1.00 0.00 O ATOM 251 CB LYS A 20 -7.898 -12.605 -8.345 1.00 0.00 C ATOM 252 CG LYS A 20 -8.458 -11.733 -9.470 1.00 0.00 C ATOM 253 CD LYS A 20 -7.350 -11.273 -10.432 1.00 0.00 C ATOM 254 CE LYS A 20 -7.760 -11.476 -11.888 1.00 0.00 C ATOM 255 NZ LYS A 20 -7.627 -12.892 -12.327 1.00 0.00 N ATOM 0 H LYS A 20 -5.214 -12.330 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.676 -10.877 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.219 -13.341 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.718 -13.157 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.213 -12.292 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.955 -10.862 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.128 -10.220 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.435 -11.829 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.793 -11.154 -12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.145 -10.842 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.918 -12.976 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.637 -13.194 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.234 -13.497 -11.737 1.00 0.00 H new ATOM 269 N PHE A 21 -7.775 -11.996 -4.888 1.00 0.00 N ATOM 270 CA PHE A 21 -7.800 -12.526 -3.529 1.00 0.00 C ATOM 271 C PHE A 21 -9.245 -12.859 -3.144 1.00 0.00 C ATOM 272 O PHE A 21 -10.054 -11.970 -2.890 1.00 0.00 O ATOM 273 CB PHE A 21 -7.150 -11.496 -2.591 1.00 0.00 C ATOM 274 CG PHE A 21 -5.709 -11.152 -2.930 1.00 0.00 C ATOM 275 CD1 PHE A 21 -4.657 -11.911 -2.382 1.00 0.00 C ATOM 276 CD2 PHE A 21 -5.412 -10.068 -3.782 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.319 -11.595 -2.678 1.00 0.00 C ATOM 278 CE2 PHE A 21 -4.075 -9.757 -4.089 1.00 0.00 C ATOM 279 CZ PHE A 21 -3.030 -10.520 -3.537 1.00 0.00 C ATOM 0 H PHE A 21 -8.281 -11.115 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.229 -13.451 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.742 -10.581 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.188 -11.878 -1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.879 -12.742 -1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.213 -9.476 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.517 -12.176 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.851 -8.932 -4.749 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.004 -10.280 -3.773 1.00 0.00 H new ATOM 289 N LYS A 22 -9.593 -14.146 -3.116 1.00 0.00 N ATOM 290 CA LYS A 22 -10.928 -14.605 -2.710 1.00 0.00 C ATOM 291 C LYS A 22 -11.162 -14.323 -1.211 1.00 0.00 C ATOM 292 O LYS A 22 -10.303 -14.623 -0.378 1.00 0.00 O ATOM 293 CB LYS A 22 -11.078 -16.093 -3.085 1.00 0.00 C ATOM 294 CG LYS A 22 -11.331 -16.238 -4.596 1.00 0.00 C ATOM 295 CD LYS A 22 -11.162 -17.680 -5.099 1.00 0.00 C ATOM 296 CE LYS A 22 -11.428 -17.786 -6.611 1.00 0.00 C ATOM 297 NZ LYS A 22 -12.878 -17.722 -6.939 1.00 0.00 N ATOM 0 H LYS A 22 -8.959 -14.902 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.703 -14.053 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.176 -16.638 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.903 -16.535 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.341 -15.896 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.644 -15.588 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.152 -18.026 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.846 -18.336 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.906 -16.980 -7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.015 -18.723 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.005 -17.798 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.375 -18.506 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.269 -16.817 -6.608 1.00 0.00 H new ATOM 311 N VAL A 23 -12.305 -13.720 -0.878 1.00 0.00 N ATOM 312 CA VAL A 23 -12.616 -13.166 0.457 1.00 0.00 C ATOM 313 C VAL A 23 -14.069 -13.435 0.867 1.00 0.00 C ATOM 314 O VAL A 23 -14.938 -13.621 0.016 1.00 0.00 O ATOM 315 CB VAL A 23 -12.347 -11.642 0.541 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.852 -11.291 0.550 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.055 -10.822 -0.549 1.00 0.00 C ATOM 0 H VAL A 23 -13.068 -13.596 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.947 -13.680 1.147 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.777 -11.361 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.733 -10.209 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.374 -11.757 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.387 -11.657 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.817 -9.766 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.718 -11.154 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.133 -10.963 -0.468 1.00 0.00 H new ATOM 327 N THR A 24 -14.334 -13.414 2.179 1.00 0.00 N ATOM 328 CA THR A 24 -15.673 -13.574 2.765 1.00 0.00 C ATOM 329 C THR A 24 -15.902 -12.462 3.776 1.00 0.00 C ATOM 330 O THR A 24 -15.204 -12.405 4.780 1.00 0.00 O ATOM 331 CB THR A 24 -15.793 -14.951 3.429 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.562 -15.953 2.461 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.186 -15.180 4.013 1.00 0.00 C ATOM 0 H THR A 24 -13.606 -13.282 2.881 1.00 0.00 H new ATOM 0 HA THR A 24 -16.432 -13.510 1.986 1.00 0.00 H new ATOM 0 HB THR A 24 -15.060 -14.993 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.636 -16.836 2.880 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.230 -16.167 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.395 -14.419 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.929 -15.118 3.218 1.00 0.00 H new ATOM 341 N ASN A 25 -16.868 -11.576 3.535 1.00 0.00 N ATOM 342 CA ASN A 25 -17.247 -10.529 4.490 1.00 0.00 C ATOM 343 C ASN A 25 -17.773 -11.168 5.788 1.00 0.00 C ATOM 344 O ASN A 25 -18.698 -11.986 5.740 1.00 0.00 O ATOM 345 CB ASN A 25 -18.296 -9.600 3.846 1.00 0.00 C ATOM 346 CG ASN A 25 -18.759 -8.497 4.794 1.00 0.00 C ATOM 347 OD1 ASN A 25 -18.342 -7.351 4.712 1.00 0.00 O ATOM 348 ND2 ASN A 25 -19.656 -8.799 5.713 1.00 0.00 N ATOM 0 H ASN A 25 -17.412 -11.562 2.672 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.375 -9.928 4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.875 -9.149 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.157 -10.191 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.997 -8.078 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.009 -9.753 5.787 1.00 0.00 H new ATOM 355 N VAL A 26 -17.230 -10.755 6.938 1.00 0.00 N ATOM 356 CA VAL A 26 -17.626 -11.263 8.262 1.00 0.00 C ATOM 357 C VAL A 26 -18.101 -10.152 9.197 1.00 0.00 C ATOM 358 O VAL A 26 -17.745 -8.985 9.031 1.00 0.00 O ATOM 359 CB VAL A 26 -16.521 -12.097 8.948 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.212 -13.381 8.166 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.215 -11.323 9.191 1.00 0.00 C ATOM 0 H VAL A 26 -16.494 -10.050 6.979 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.467 -11.928 8.066 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.933 -12.351 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.430 -13.941 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.112 -13.992 8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.874 -13.123 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.490 -11.976 9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.813 -10.979 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.415 -10.464 9.832 1.00 0.00 H new ATOM 371 N ASP A 27 -18.918 -10.533 10.180 1.00 0.00 N ATOM 372 CA ASP A 27 -19.470 -9.631 11.196 1.00 0.00 C ATOM 373 C ASP A 27 -18.552 -9.447 12.434 1.00 0.00 C ATOM 374 O ASP A 27 -17.401 -9.888 12.457 1.00 0.00 O ATOM 375 CB ASP A 27 -20.863 -10.148 11.594 1.00 0.00 C ATOM 376 CG ASP A 27 -20.797 -11.200 12.702 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.935 -12.100 12.632 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.551 -11.055 13.692 1.00 0.00 O ATOM 0 H ASP A 27 -19.222 -11.500 10.296 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.545 -8.634 10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.477 -9.311 11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.353 -10.575 10.719 1.00 0.00 H new ATOM 383 N ASP A 28 -19.090 -8.831 13.493 1.00 0.00 N ATOM 384 CA ASP A 28 -18.440 -8.667 14.800 1.00 0.00 C ATOM 385 C ASP A 28 -18.101 -9.995 15.514 1.00 0.00 C ATOM 386 O ASP A 28 -17.096 -10.062 16.223 1.00 0.00 O ATOM 387 CB ASP A 28 -19.367 -7.821 15.687 1.00 0.00 C ATOM 388 CG ASP A 28 -18.737 -7.481 17.046 1.00 0.00 C ATOM 389 OD1 ASP A 28 -17.697 -6.783 17.064 1.00 0.00 O ATOM 390 OD2 ASP A 28 -19.307 -7.879 18.091 1.00 0.00 O ATOM 0 H ASP A 28 -20.022 -8.418 13.463 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.481 -8.179 14.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -19.618 -6.897 15.166 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.301 -8.360 15.848 1.00 0.00 H new ATOM 395 N GLU A 29 -18.895 -11.058 15.316 1.00 0.00 N ATOM 396 CA GLU A 29 -18.623 -12.398 15.867 1.00 0.00 C ATOM 397 C GLU A 29 -17.658 -13.225 14.993 1.00 0.00 C ATOM 398 O GLU A 29 -17.228 -14.309 15.402 1.00 0.00 O ATOM 399 CB GLU A 29 -19.922 -13.202 16.071 1.00 0.00 C ATOM 400 CG GLU A 29 -21.016 -12.453 16.841 1.00 0.00 C ATOM 401 CD GLU A 29 -21.983 -13.431 17.526 1.00 0.00 C ATOM 402 OE1 GLU A 29 -22.968 -13.873 16.896 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.763 -13.762 18.721 1.00 0.00 O ATOM 0 H GLU A 29 -19.752 -11.013 14.764 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.144 -12.221 16.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.314 -13.490 15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.685 -14.123 16.604 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.559 -11.805 17.589 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.570 -11.809 16.157 1.00 0.00 H new ATOM 410 N GLY A 30 -17.328 -12.748 13.786 1.00 0.00 N ATOM 411 CA GLY A 30 -16.543 -13.474 12.787 1.00 0.00 C ATOM 412 C GLY A 30 -17.352 -14.498 11.983 1.00 0.00 C ATOM 413 O GLY A 30 -16.742 -15.350 11.337 1.00 0.00 O ATOM 0 H GLY A 30 -17.609 -11.819 13.471 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.098 -12.756 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.722 -13.987 13.288 1.00 0.00 H new ATOM 417 N VAL A 31 -18.689 -14.442 12.001 1.00 0.00 N ATOM 418 CA VAL A 31 -19.539 -15.309 11.165 1.00 0.00 C ATOM 419 C VAL A 31 -19.624 -14.787 9.737 1.00 0.00 C ATOM 420 O VAL A 31 -19.525 -13.589 9.482 1.00 0.00 O ATOM 421 CB VAL A 31 -20.963 -15.577 11.696 1.00 0.00 C ATOM 422 CG1 VAL A 31 -20.912 -16.433 12.967 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.856 -14.352 11.891 1.00 0.00 C ATOM 0 H VAL A 31 -19.214 -13.798 12.592 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.028 -16.271 11.199 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.452 -16.125 10.891 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.925 -16.611 13.326 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.433 -17.386 12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.341 -15.911 13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.829 -14.667 12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.392 -13.674 12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.984 -13.840 10.937 1.00 0.00 H new ATOM 433 N GLU A 32 -19.809 -15.726 8.813 1.00 0.00 N ATOM 434 CA GLU A 32 -19.709 -15.509 7.373 1.00 0.00 C ATOM 435 C GLU A 32 -21.075 -15.142 6.778 1.00 0.00 C ATOM 436 O GLU A 32 -22.046 -15.889 6.930 1.00 0.00 O ATOM 437 CB GLU A 32 -19.151 -16.783 6.715 1.00 0.00 C ATOM 438 CG GLU A 32 -17.720 -17.125 7.165 1.00 0.00 C ATOM 439 CD GLU A 32 -17.330 -18.543 6.721 1.00 0.00 C ATOM 440 OE1 GLU A 32 -16.834 -18.720 5.584 1.00 0.00 O ATOM 441 OE2 GLU A 32 -17.515 -19.496 7.516 1.00 0.00 O ATOM 0 H GLU A 32 -20.040 -16.690 9.054 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.035 -14.675 7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.808 -17.621 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.164 -16.660 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.020 -16.403 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.647 -17.046 8.250 1.00 0.00 H new ATOM 448 N LEU A 33 -21.148 -13.986 6.105 1.00 0.00 N ATOM 449 CA LEU A 33 -22.409 -13.415 5.605 1.00 0.00 C ATOM 450 C LEU A 33 -22.540 -13.549 4.082 1.00 0.00 C ATOM 451 O LEU A 33 -23.535 -14.074 3.579 1.00 0.00 O ATOM 452 CB LEU A 33 -22.506 -11.935 6.019 1.00 0.00 C ATOM 453 CG LEU A 33 -22.242 -11.618 7.505 1.00 0.00 C ATOM 454 CD1 LEU A 33 -22.487 -10.120 7.698 1.00 0.00 C ATOM 455 CD2 LEU A 33 -23.129 -12.420 8.464 1.00 0.00 C ATOM 0 H LEU A 33 -20.330 -13.416 5.890 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.230 -13.978 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.798 -11.365 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.503 -11.574 5.765 1.00 0.00 H new ATOM 0 HG LEU A 33 -21.217 -11.900 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -22.310 -9.854 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.808 -9.555 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -23.517 -9.883 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.891 -12.148 9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -24.177 -12.197 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.950 -13.486 8.320 1.00 0.00 H new ATOM 467 N GLY A 34 -21.523 -13.070 3.359 1.00 0.00 N ATOM 468 CA GLY A 34 -21.423 -13.111 1.892 1.00 0.00 C ATOM 469 C GLY A 34 -19.979 -13.123 1.390 1.00 0.00 C ATOM 470 O GLY A 34 -19.064 -12.732 2.111 1.00 0.00 O ATOM 0 H GLY A 34 -20.714 -12.625 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.937 -13.999 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.940 -12.247 1.474 1.00 0.00 H new ATOM 474 N SER A 35 -19.773 -13.544 0.144 1.00 0.00 N ATOM 475 CA SER A 35 -18.436 -13.821 -0.414 1.00 0.00 C ATOM 476 C SER A 35 -18.160 -13.047 -1.713 1.00 0.00 C ATOM 477 O SER A 35 -19.067 -12.787 -2.511 1.00 0.00 O ATOM 478 CB SER A 35 -18.250 -15.327 -0.647 1.00 0.00 C ATOM 479 OG SER A 35 -18.526 -16.082 0.528 1.00 0.00 O ATOM 0 H SER A 35 -20.531 -13.706 -0.519 1.00 0.00 H new ATOM 0 HA SER A 35 -17.713 -13.475 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.908 -15.654 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.228 -15.521 -0.972 1.00 0.00 H new ATOM 0 HG SER A 35 -18.399 -17.036 0.341 1.00 0.00 H new ATOM 485 N GLY A 36 -16.891 -12.675 -1.919 1.00 0.00 N ATOM 486 CA GLY A 36 -16.415 -11.827 -3.012 1.00 0.00 C ATOM 487 C GLY A 36 -14.972 -12.113 -3.434 1.00 0.00 C ATOM 488 O GLY A 36 -14.260 -12.894 -2.799 1.00 0.00 O ATOM 0 H GLY A 36 -16.137 -12.971 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.069 -11.961 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.495 -10.783 -2.710 1.00 0.00 H new ATOM 492 N VAL A 37 -14.533 -11.444 -4.498 1.00 0.00 N ATOM 493 CA VAL A 37 -13.125 -11.407 -4.932 1.00 0.00 C ATOM 494 C VAL A 37 -12.605 -9.983 -4.745 1.00 0.00 C ATOM 495 O VAL A 37 -13.130 -9.047 -5.344 1.00 0.00 O ATOM 496 CB VAL A 37 -12.950 -11.869 -6.399 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.476 -11.793 -6.841 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.460 -13.309 -6.598 1.00 0.00 C ATOM 0 H VAL A 37 -15.152 -10.900 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.550 -12.105 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.542 -11.191 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.389 -12.124 -7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.124 -10.765 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.871 -12.436 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.323 -13.603 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.900 -13.986 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.519 -13.358 -6.344 1.00 0.00 H new ATOM 508 N MET A 38 -11.566 -9.829 -3.927 1.00 0.00 N ATOM 509 CA MET A 38 -10.830 -8.578 -3.745 1.00 0.00 C ATOM 510 C MET A 38 -9.736 -8.460 -4.809 1.00 0.00 C ATOM 511 O MET A 38 -9.048 -9.431 -5.133 1.00 0.00 O ATOM 512 CB MET A 38 -10.262 -8.511 -2.317 1.00 0.00 C ATOM 513 CG MET A 38 -9.644 -7.143 -1.998 1.00 0.00 C ATOM 514 SD MET A 38 -10.834 -5.775 -1.976 1.00 0.00 S ATOM 515 CE MET A 38 -11.329 -5.870 -0.237 1.00 0.00 C ATOM 0 H MET A 38 -11.202 -10.592 -3.356 1.00 0.00 H new ATOM 0 HA MET A 38 -11.502 -7.729 -3.871 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.057 -8.723 -1.602 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.506 -9.286 -2.193 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.152 -7.197 -1.027 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.871 -6.925 -2.735 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.251 -5.307 -0.090 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.492 -6.912 0.038 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.542 -5.448 0.389 1.00 0.00 H new ATOM 525 N GLU A 39 -9.575 -7.259 -5.349 1.00 0.00 N ATOM 526 CA GLU A 39 -8.659 -6.931 -6.431 1.00 0.00 C ATOM 527 C GLU A 39 -8.000 -5.581 -6.128 1.00 0.00 C ATOM 528 O GLU A 39 -8.672 -4.599 -5.794 1.00 0.00 O ATOM 529 CB GLU A 39 -9.442 -6.928 -7.755 1.00 0.00 C ATOM 530 CG GLU A 39 -8.563 -6.649 -8.978 1.00 0.00 C ATOM 531 CD GLU A 39 -9.363 -6.806 -10.280 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.391 -6.110 -10.448 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.968 -7.626 -11.143 1.00 0.00 O ATOM 0 H GLU A 39 -10.106 -6.449 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.863 -7.670 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.932 -7.893 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.229 -6.175 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.158 -5.639 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.715 -7.333 -8.984 1.00 0.00 H new ATOM 540 N LEU A 40 -6.668 -5.572 -6.233 1.00 0.00 N ATOM 541 CA LEU A 40 -5.788 -4.431 -5.987 1.00 0.00 C ATOM 542 C LEU A 40 -5.275 -3.946 -7.351 1.00 0.00 C ATOM 543 O LEU A 40 -4.747 -4.744 -8.133 1.00 0.00 O ATOM 544 CB LEU A 40 -4.609 -4.859 -5.081 1.00 0.00 C ATOM 545 CG LEU A 40 -4.882 -5.030 -3.567 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.911 -6.122 -3.233 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.565 -5.384 -2.864 1.00 0.00 C ATOM 0 H LEU A 40 -6.149 -6.406 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.322 -3.629 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.223 -5.805 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.814 -4.122 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.298 -4.083 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.045 -6.178 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.864 -5.881 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.555 -7.083 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.744 -5.507 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.171 -6.313 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.842 -4.583 -3.021 1.00 0.00 H new ATOM 559 N THR A 41 -5.429 -2.649 -7.635 1.00 0.00 N ATOM 560 CA THR A 41 -5.038 -2.013 -8.909 1.00 0.00 C ATOM 561 C THR A 41 -4.152 -0.802 -8.655 1.00 0.00 C ATOM 562 O THR A 41 -4.011 -0.363 -7.518 1.00 0.00 O ATOM 563 CB THR A 41 -6.271 -1.610 -9.733 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.930 -0.544 -9.089 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.268 -2.753 -9.948 1.00 0.00 C ATOM 0 H THR A 41 -5.839 -1.991 -6.972 1.00 0.00 H new ATOM 0 HA THR A 41 -4.472 -2.745 -9.485 1.00 0.00 H new ATOM 0 HB THR A 41 -5.906 -1.319 -10.718 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.217 -0.828 -8.196 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.112 -2.394 -10.537 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.777 -3.569 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.626 -3.110 -8.982 1.00 0.00 H new ATOM 573 N GLN A 42 -3.593 -0.200 -9.701 1.00 0.00 N ATOM 574 CA GLN A 42 -2.877 1.079 -9.593 1.00 0.00 C ATOM 575 C GLN A 42 -3.833 2.278 -9.371 1.00 0.00 C ATOM 576 O GLN A 42 -3.375 3.409 -9.219 1.00 0.00 O ATOM 577 CB GLN A 42 -1.970 1.274 -10.825 1.00 0.00 C ATOM 578 CG GLN A 42 -0.794 0.277 -10.907 1.00 0.00 C ATOM 579 CD GLN A 42 -1.173 -1.159 -11.296 1.00 0.00 C ATOM 580 OE1 GLN A 42 -2.200 -1.433 -11.909 1.00 0.00 O ATOM 581 NE2 GLN A 42 -0.369 -2.139 -10.940 1.00 0.00 N ATOM 0 H GLN A 42 -3.620 -0.579 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.248 1.042 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.575 1.180 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.572 2.289 -10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.071 0.653 -11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.292 0.253 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.490 -1.934 -10.430 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.605 -3.103 -11.174 1.00 0.00 H new ATOM 590 N SER A 43 -5.151 2.049 -9.312 1.00 0.00 N ATOM 591 CA SER A 43 -6.177 3.076 -9.081 1.00 0.00 C ATOM 592 C SER A 43 -6.787 3.009 -7.669 1.00 0.00 C ATOM 593 O SER A 43 -6.896 4.035 -6.990 1.00 0.00 O ATOM 594 CB SER A 43 -7.295 2.894 -10.125 1.00 0.00 C ATOM 595 OG SER A 43 -8.278 3.915 -10.047 1.00 0.00 O ATOM 0 H SER A 43 -5.546 1.116 -9.427 1.00 0.00 H new ATOM 0 HA SER A 43 -5.697 4.050 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.859 2.889 -11.124 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.770 1.924 -9.980 1.00 0.00 H new ATOM 0 HG SER A 43 -9.120 3.534 -9.719 1.00 0.00 H new ATOM 601 N GLU A 44 -7.160 1.808 -7.207 1.00 0.00 N ATOM 602 CA GLU A 44 -8.007 1.586 -6.026 1.00 0.00 C ATOM 603 C GLU A 44 -8.165 0.096 -5.660 1.00 0.00 C ATOM 604 O GLU A 44 -7.755 -0.798 -6.412 1.00 0.00 O ATOM 605 CB GLU A 44 -9.402 2.186 -6.323 1.00 0.00 C ATOM 606 CG GLU A 44 -10.159 1.458 -7.443 1.00 0.00 C ATOM 607 CD GLU A 44 -11.030 2.426 -8.238 1.00 0.00 C ATOM 608 OE1 GLU A 44 -12.120 2.805 -7.759 1.00 0.00 O ATOM 609 OE2 GLU A 44 -10.658 2.757 -9.388 1.00 0.00 O ATOM 0 H GLU A 44 -6.873 0.939 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.526 2.066 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.001 2.158 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.286 3.235 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.447 0.972 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.781 0.672 -7.014 1.00 0.00 H new ATOM 616 N LEU A 45 -8.828 -0.168 -4.528 1.00 0.00 N ATOM 617 CA LEU A 45 -9.310 -1.498 -4.146 1.00 0.00 C ATOM 618 C LEU A 45 -10.698 -1.729 -4.751 1.00 0.00 C ATOM 619 O LEU A 45 -11.539 -0.828 -4.705 1.00 0.00 O ATOM 620 CB LEU A 45 -9.407 -1.607 -2.608 1.00 0.00 C ATOM 621 CG LEU A 45 -8.115 -2.061 -1.920 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.290 -2.057 -0.401 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.732 -3.486 -2.324 1.00 0.00 C ATOM 0 H LEU A 45 -9.048 0.552 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.611 -2.247 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.696 -0.636 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.203 -2.307 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.336 -1.364 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.364 -2.382 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.535 -1.049 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.096 -2.737 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.811 -3.773 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.531 -4.171 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.581 -3.530 -3.403 1.00 0.00 H new ATOM 635 N VAL A 46 -10.949 -2.935 -5.266 1.00 0.00 N ATOM 636 CA VAL A 46 -12.244 -3.334 -5.843 1.00 0.00 C ATOM 637 C VAL A 46 -12.669 -4.720 -5.341 1.00 0.00 C ATOM 638 O VAL A 46 -11.917 -5.685 -5.456 1.00 0.00 O ATOM 639 CB VAL A 46 -12.209 -3.321 -7.393 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.593 -3.653 -7.978 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.751 -1.966 -7.963 1.00 0.00 C ATOM 0 H VAL A 46 -10.250 -3.677 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.979 -2.600 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.484 -4.082 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.541 -3.637 -9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.901 -4.644 -7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.318 -2.914 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.745 -2.013 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.437 -1.184 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.747 -1.741 -7.604 1.00 0.00 H new ATOM 651 N LEU A 47 -13.894 -4.812 -4.819 1.00 0.00 N ATOM 652 CA LEU A 47 -14.598 -6.055 -4.500 1.00 0.00 C ATOM 653 C LEU A 47 -15.598 -6.381 -5.605 1.00 0.00 C ATOM 654 O LEU A 47 -16.451 -5.557 -5.947 1.00 0.00 O ATOM 655 CB LEU A 47 -15.400 -5.927 -3.195 1.00 0.00 C ATOM 656 CG LEU A 47 -14.625 -6.152 -1.896 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.577 -5.883 -0.725 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.077 -7.574 -1.729 1.00 0.00 C ATOM 0 H LEU A 47 -14.447 -3.984 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.843 -6.835 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.841 -4.931 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.224 -6.640 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.768 -5.479 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.049 -6.037 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.936 -4.855 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.425 -6.566 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.541 -7.649 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.903 -8.285 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.397 -7.801 -2.550 1.00 0.00 H new ATOM 670 N HIS A 48 -15.538 -7.625 -6.062 1.00 0.00 N ATOM 671 CA HIS A 48 -16.474 -8.257 -6.994 1.00 0.00 C ATOM 672 C HIS A 48 -17.351 -9.285 -6.252 1.00 0.00 C ATOM 673 O HIS A 48 -16.810 -10.237 -5.680 1.00 0.00 O ATOM 674 CB HIS A 48 -15.655 -8.914 -8.116 1.00 0.00 C ATOM 675 CG HIS A 48 -14.778 -7.954 -8.880 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.232 -7.016 -9.810 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.418 -7.869 -8.791 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.130 -6.391 -10.260 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.027 -6.887 -9.672 1.00 0.00 N ATOM 0 H HIS A 48 -14.792 -8.260 -5.778 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.147 -7.517 -7.427 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.030 -9.696 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.338 -9.400 -8.813 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.775 -8.458 -8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.131 -5.599 -10.994 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.068 -6.588 -9.848 1.00 0.00 H new ATOM 687 N LEU A 49 -18.675 -9.088 -6.234 1.00 0.00 N ATOM 688 CA LEU A 49 -19.670 -9.932 -5.543 1.00 0.00 C ATOM 689 C LEU A 49 -20.725 -10.463 -6.534 1.00 0.00 C ATOM 690 O LEU A 49 -20.880 -9.942 -7.639 1.00 0.00 O ATOM 691 CB LEU A 49 -20.354 -9.130 -4.406 1.00 0.00 C ATOM 692 CG LEU A 49 -19.623 -9.105 -3.047 1.00 0.00 C ATOM 693 CD1 LEU A 49 -18.365 -8.229 -3.046 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.578 -8.579 -1.964 1.00 0.00 C ATOM 0 H LEU A 49 -19.106 -8.302 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.151 -10.787 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.483 -8.102 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.351 -9.542 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.310 -10.130 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.902 -8.258 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.660 -8.603 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -18.637 -7.202 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -20.064 -8.561 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -20.901 -7.570 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.448 -9.232 -1.897 1.00 0.00 H new ATOM 786 N ALA A 54 -20.792 -4.665 -6.924 1.00 0.00 N ATOM 787 CA ALA A 54 -19.363 -4.426 -6.708 1.00 0.00 C ATOM 788 C ALA A 54 -19.114 -3.176 -5.836 1.00 0.00 C ATOM 789 O ALA A 54 -19.921 -2.239 -5.833 1.00 0.00 O ATOM 790 CB ALA A 54 -18.680 -4.314 -8.080 1.00 0.00 C ATOM 0 HA ALA A 54 -18.933 -5.262 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.614 -4.136 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.824 -5.241 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.117 -3.486 -8.638 1.00 0.00 H new ATOM 796 N VAL A 55 -17.987 -3.144 -5.116 1.00 0.00 N ATOM 797 CA VAL A 55 -17.661 -2.071 -4.148 1.00 0.00 C ATOM 798 C VAL A 55 -16.219 -1.600 -4.308 1.00 0.00 C ATOM 799 O VAL A 55 -15.316 -2.422 -4.414 1.00 0.00 O ATOM 800 CB VAL A 55 -17.914 -2.481 -2.676 1.00 0.00 C ATOM 801 CG1 VAL A 55 -17.829 -1.253 -1.755 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.295 -3.116 -2.458 1.00 0.00 C ATOM 0 H VAL A 55 -17.266 -3.862 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.339 -1.250 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.144 -3.216 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.009 -1.558 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.837 -0.807 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.580 -0.522 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.412 -3.381 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.071 -2.405 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.384 -4.013 -3.071 1.00 0.00 H new ATOM 812 N ARG A 56 -16.013 -0.280 -4.329 1.00 0.00 N ATOM 813 CA ARG A 56 -14.728 0.367 -4.628 1.00 0.00 C ATOM 814 C ARG A 56 -14.295 1.342 -3.523 1.00 0.00 C ATOM 815 O ARG A 56 -15.123 2.081 -2.983 1.00 0.00 O ATOM 816 CB ARG A 56 -14.825 1.128 -5.961 1.00 0.00 C ATOM 817 CG ARG A 56 -15.325 0.277 -7.140 1.00 0.00 C ATOM 818 CD ARG A 56 -15.426 1.094 -8.435 1.00 0.00 C ATOM 819 NE ARG A 56 -14.114 1.295 -9.082 1.00 0.00 N ATOM 820 CZ ARG A 56 -13.691 0.756 -10.222 1.00 0.00 C ATOM 821 NH1 ARG A 56 -14.394 -0.140 -10.885 1.00 0.00 N ATOM 822 NH2 ARG A 56 -12.532 1.118 -10.725 1.00 0.00 N ATOM 0 H ARG A 56 -16.757 0.390 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.978 -0.421 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.494 1.979 -5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.843 1.530 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.648 -0.564 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.302 -0.141 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.096 0.587 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.871 2.064 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.461 1.915 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.299 -0.445 -10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.033 -0.529 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.960 1.810 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.205 0.707 -11.599 1.00 0.00 H new ATOM 836 N TRP A 57 -12.987 1.403 -3.249 1.00 0.00 N ATOM 837 CA TRP A 57 -12.369 2.354 -2.311 1.00 0.00 C ATOM 838 C TRP A 57 -11.027 2.883 -2.858 1.00 0.00 C ATOM 839 O TRP A 57 -10.073 2.101 -2.944 1.00 0.00 O ATOM 840 CB TRP A 57 -12.148 1.690 -0.943 1.00 0.00 C ATOM 841 CG TRP A 57 -13.381 1.232 -0.232 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.183 1.974 0.568 1.00 0.00 C ATOM 843 CD2 TRP A 57 -13.951 -0.105 -0.235 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.206 1.184 1.058 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.079 -0.125 0.639 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.595 -1.314 -0.873 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.776 -1.306 0.922 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.304 -2.494 -0.613 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.373 -2.498 0.299 1.00 0.00 C ATOM 0 H TRP A 57 -12.309 0.777 -3.684 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.050 3.197 -2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.491 0.831 -1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.622 2.395 -0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.045 3.022 0.789 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.960 1.525 1.654 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.768 -1.329 -1.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.610 -1.300 1.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.027 -3.408 -1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.887 -3.422 0.522 1.00 0.00 H new ATOM 860 N PRO A 58 -10.919 4.183 -3.211 1.00 0.00 N ATOM 861 CA PRO A 58 -9.649 4.792 -3.593 1.00 0.00 C ATOM 862 C PRO A 58 -8.704 4.841 -2.395 1.00 0.00 C ATOM 863 O PRO A 58 -9.128 5.052 -1.260 1.00 0.00 O ATOM 864 CB PRO A 58 -9.976 6.197 -4.100 1.00 0.00 C ATOM 865 CG PRO A 58 -11.290 6.535 -3.404 1.00 0.00 C ATOM 866 CD PRO A 58 -11.981 5.182 -3.242 1.00 0.00 C ATOM 0 HA PRO A 58 -9.145 4.214 -4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.192 6.909 -3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.081 6.217 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.119 7.014 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.892 7.222 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.569 5.153 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.668 4.994 -4.067 1.00 0.00 H new ATOM 874 N TYR A 59 -7.409 4.681 -2.664 1.00 0.00 N ATOM 875 CA TYR A 59 -6.360 4.634 -1.640 1.00 0.00 C ATOM 876 C TYR A 59 -6.262 5.914 -0.788 1.00 0.00 C ATOM 877 O TYR A 59 -5.876 5.856 0.380 1.00 0.00 O ATOM 878 CB TYR A 59 -5.033 4.338 -2.348 1.00 0.00 C ATOM 879 CG TYR A 59 -4.971 2.993 -3.052 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.287 1.807 -2.359 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.580 2.923 -4.402 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.214 0.563 -3.006 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.498 1.679 -5.053 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.819 0.492 -4.355 1.00 0.00 C ATOM 885 OH TYR A 59 -4.749 -0.721 -4.966 1.00 0.00 O ATOM 0 H TYR A 59 -7.051 4.579 -3.614 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.611 3.848 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.845 5.124 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.228 4.386 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.587 1.855 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.342 3.828 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.461 -0.340 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.190 1.630 -6.087 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.633 -0.595 -5.931 1.00 0.00 H new ATOM 895 N LEU A 60 -6.697 7.051 -1.343 1.00 0.00 N ATOM 896 CA LEU A 60 -6.782 8.345 -0.656 1.00 0.00 C ATOM 897 C LEU A 60 -7.814 8.319 0.478 1.00 0.00 C ATOM 898 O LEU A 60 -7.585 8.899 1.540 1.00 0.00 O ATOM 899 CB LEU A 60 -7.173 9.437 -1.675 1.00 0.00 C ATOM 900 CG LEU A 60 -6.024 10.021 -2.516 1.00 0.00 C ATOM 901 CD1 LEU A 60 -5.116 10.913 -1.659 1.00 0.00 C ATOM 902 CD2 LEU A 60 -5.263 8.954 -3.319 1.00 0.00 C ATOM 0 H LEU A 60 -7.009 7.097 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.807 8.560 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.918 9.022 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.653 10.254 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.468 10.664 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.312 11.314 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.700 11.735 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.691 10.325 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.466 9.429 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.833 8.222 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.950 8.453 -4.001 1.00 0.00 H new ATOM 914 N CYS A 61 -8.945 7.640 0.254 1.00 0.00 N ATOM 915 CA CYS A 61 -10.045 7.536 1.227 1.00 0.00 C ATOM 916 C CYS A 61 -9.846 6.450 2.305 1.00 0.00 C ATOM 917 O CYS A 61 -10.662 6.361 3.225 1.00 0.00 O ATOM 918 CB CYS A 61 -11.368 7.361 0.467 1.00 0.00 C ATOM 919 SG CYS A 61 -11.697 8.854 -0.519 1.00 0.00 S ATOM 0 H CYS A 61 -9.127 7.141 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.063 8.466 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.315 6.487 -0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.184 7.188 1.169 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.815 8.709 -1.166 1.00 0.00 H new ATOM 925 N LEU A 62 -8.789 5.634 2.226 1.00 0.00 N ATOM 926 CA LEU A 62 -8.433 4.653 3.260 1.00 0.00 C ATOM 927 C LEU A 62 -7.628 5.338 4.374 1.00 0.00 C ATOM 928 O LEU A 62 -6.574 5.923 4.111 1.00 0.00 O ATOM 929 CB LEU A 62 -7.627 3.495 2.638 1.00 0.00 C ATOM 930 CG LEU A 62 -8.373 2.663 1.576 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.415 1.604 1.013 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.620 1.971 2.147 1.00 0.00 C ATOM 0 H LEU A 62 -8.148 5.636 1.433 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.345 4.242 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.725 3.906 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.306 2.828 3.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.708 3.342 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.932 1.009 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.555 2.096 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.077 0.954 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.110 1.398 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.326 1.301 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.309 2.723 2.532 1.00 0.00 H new ATOM 944 N ARG A 63 -8.104 5.246 5.623 1.00 0.00 N ATOM 945 CA ARG A 63 -7.397 5.791 6.796 1.00 0.00 C ATOM 946 C ARG A 63 -6.337 4.823 7.332 1.00 0.00 C ATOM 947 O ARG A 63 -5.260 5.262 7.736 1.00 0.00 O ATOM 948 CB ARG A 63 -8.374 6.134 7.930 1.00 0.00 C ATOM 949 CG ARG A 63 -9.109 7.465 7.736 1.00 0.00 C ATOM 950 CD ARG A 63 -10.283 7.374 6.757 1.00 0.00 C ATOM 951 NE ARG A 63 -11.060 8.623 6.772 1.00 0.00 N ATOM 952 CZ ARG A 63 -11.944 8.985 7.696 1.00 0.00 C ATOM 953 NH1 ARG A 63 -12.260 8.218 8.722 1.00 0.00 N ATOM 954 NH2 ARG A 63 -12.532 10.160 7.599 1.00 0.00 N ATOM 0 H ARG A 63 -8.989 4.793 5.851 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.902 6.700 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.109 5.334 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.825 6.167 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.477 7.813 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.402 8.213 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.912 7.181 5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.925 6.535 7.026 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.906 9.272 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.819 7.304 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.945 8.539 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.307 10.780 6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.212 10.449 8.302 1.00 0.00 H new ATOM 968 N ARG A 64 -6.642 3.520 7.329 1.00 0.00 N ATOM 969 CA ARG A 64 -5.790 2.444 7.853 1.00 0.00 C ATOM 970 C ARG A 64 -6.215 1.080 7.309 1.00 0.00 C ATOM 971 O ARG A 64 -7.369 0.891 6.911 1.00 0.00 O ATOM 972 CB ARG A 64 -5.749 2.468 9.395 1.00 0.00 C ATOM 973 CG ARG A 64 -7.061 2.090 10.106 1.00 0.00 C ATOM 974 CD ARG A 64 -6.913 2.218 11.626 1.00 0.00 C ATOM 975 NE ARG A 64 -8.172 2.626 12.266 1.00 0.00 N ATOM 976 CZ ARG A 64 -8.501 2.472 13.540 1.00 0.00 C ATOM 977 NH1 ARG A 64 -7.707 1.869 14.403 1.00 0.00 N ATOM 978 NH2 ARG A 64 -9.652 2.950 13.954 1.00 0.00 N ATOM 0 H ARG A 64 -7.522 3.172 6.947 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.773 2.620 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.967 1.786 9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.459 3.468 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.867 2.736 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.338 1.068 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.587 1.264 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.136 2.947 11.855 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.865 3.075 11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.806 1.503 14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.994 1.769 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.271 3.428 13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.927 2.843 14.930 1.00 0.00 H new ATOM 992 N TYR A 65 -5.275 0.139 7.300 1.00 0.00 N ATOM 993 CA TYR A 65 -5.405 -1.183 6.676 1.00 0.00 C ATOM 994 C TYR A 65 -4.525 -2.192 7.424 1.00 0.00 C ATOM 995 O TYR A 65 -3.332 -1.957 7.629 1.00 0.00 O ATOM 996 CB TYR A 65 -5.079 -1.110 5.169 1.00 0.00 C ATOM 997 CG TYR A 65 -3.666 -0.668 4.804 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.297 0.688 4.917 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.717 -1.610 4.356 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -1.987 1.099 4.607 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.409 -1.201 4.026 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.044 0.159 4.146 1.00 0.00 C ATOM 1003 OH TYR A 65 0.219 0.570 3.840 1.00 0.00 O ATOM 0 H TYR A 65 -4.366 0.277 7.742 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.437 -1.526 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.253 -2.094 4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.784 -0.424 4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.024 1.416 5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.994 -2.650 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.705 2.135 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.687 -1.926 3.682 1.00 0.00 H new ATOM 0 HH TYR A 65 0.786 0.507 4.637 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.138 -3.277 7.906 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.521 -4.230 8.829 1.00 0.00 C ATOM 1015 C GLY A 66 -4.892 -5.678 8.554 1.00 0.00 C ATOM 1016 O GLY A 66 -5.835 -5.978 7.817 1.00 0.00 O ATOM 0 H GLY A 66 -6.097 -3.521 7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.437 -4.126 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.814 -3.977 9.848 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.156 -6.583 9.194 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.190 -8.020 8.918 1.00 0.00 C ATOM 1022 C TYR A 67 -3.996 -8.890 10.179 1.00 0.00 C ATOM 1023 O TYR A 67 -3.494 -8.437 11.212 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.116 -8.340 7.857 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.718 -8.473 8.435 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -1.002 -7.328 8.829 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.162 -9.751 8.646 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.267 -7.456 9.424 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.107 -9.886 9.242 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.828 -8.734 9.630 1.00 0.00 C ATOM 1031 OH TYR A 67 2.056 -8.849 10.210 1.00 0.00 O ATOM 0 H TYR A 67 -3.503 -6.333 9.937 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.183 -8.268 8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.381 -9.268 7.350 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.116 -7.554 7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.428 -6.347 8.674 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.712 -10.632 8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.813 -6.574 9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.528 -10.868 9.402 1.00 0.00 H new ATOM 0 HH TYR A 67 2.297 -9.796 10.281 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.341 -10.169 10.050 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.079 -11.258 10.996 1.00 0.00 C ATOM 1043 C ASP A 68 -3.855 -12.577 10.213 1.00 0.00 C ATOM 1044 O ASP A 68 -3.671 -12.555 8.995 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.233 -11.330 12.019 1.00 0.00 C ATOM 1046 CG ASP A 68 -4.756 -11.838 13.389 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.521 -13.062 13.524 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.610 -11.015 14.323 1.00 0.00 O ATOM 0 H ASP A 68 -4.846 -10.497 9.227 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.167 -11.077 11.565 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.678 -10.342 12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.014 -11.989 11.639 1.00 0.00 H new ATOM 1053 N SER A 69 -3.860 -13.736 10.871 1.00 0.00 N ATOM 1054 CA SER A 69 -3.565 -15.037 10.239 1.00 0.00 C ATOM 1055 C SER A 69 -4.642 -15.534 9.254 1.00 0.00 C ATOM 1056 O SER A 69 -4.363 -16.378 8.396 1.00 0.00 O ATOM 1057 CB SER A 69 -3.329 -16.093 11.327 1.00 0.00 C ATOM 1058 OG SER A 69 -4.491 -16.310 12.121 1.00 0.00 O ATOM 0 H SER A 69 -4.070 -13.807 11.867 1.00 0.00 H new ATOM 0 HA SER A 69 -2.668 -14.881 9.639 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.027 -17.031 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.506 -15.776 11.968 1.00 0.00 H new ATOM 0 HG SER A 69 -4.301 -16.990 12.801 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.861 -14.994 9.348 1.00 0.00 N ATOM 1065 CA ASN A 70 -7.021 -15.372 8.532 1.00 0.00 C ATOM 1066 C ASN A 70 -8.025 -14.223 8.296 1.00 0.00 C ATOM 1067 O ASN A 70 -9.123 -14.466 7.789 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.702 -16.612 9.149 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.467 -16.340 10.447 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.329 -15.309 11.097 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.317 -17.263 10.860 1.00 0.00 N ATOM 0 H ASN A 70 -6.076 -14.255 10.018 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.648 -15.618 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.392 -17.033 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.942 -17.369 9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.854 -17.116 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.437 -18.123 10.324 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.679 -12.983 8.664 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.570 -11.825 8.709 1.00 0.00 C ATOM 1080 C LEU A 71 -7.860 -10.592 8.137 1.00 0.00 C ATOM 1081 O LEU A 71 -6.721 -10.300 8.500 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.006 -11.650 10.187 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.238 -10.774 10.498 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -9.954 -9.267 10.466 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.405 -11.123 9.571 1.00 0.00 C ATOM 0 H LEU A 71 -6.727 -12.753 8.951 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.458 -11.965 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.195 -12.643 10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.159 -11.236 10.734 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.513 -11.006 11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.868 -8.719 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.191 -9.025 11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.600 -8.984 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.261 -10.492 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.109 -10.956 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.677 -12.170 9.706 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.542 -9.876 7.246 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.112 -8.616 6.644 1.00 0.00 C ATOM 1099 C PHE A 72 -9.210 -7.558 6.835 1.00 0.00 C ATOM 1100 O PHE A 72 -10.396 -7.851 6.717 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.805 -8.855 5.157 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.545 -7.578 4.386 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.410 -6.796 4.678 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.482 -7.126 3.438 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.245 -5.540 4.067 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.304 -5.883 2.812 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.203 -5.078 3.148 1.00 0.00 C ATOM 0 H PHE A 72 -9.457 -10.174 6.907 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.207 -8.247 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.934 -9.506 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.642 -9.383 4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.667 -7.161 5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.338 -7.736 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.384 -4.932 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.014 -5.545 2.071 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.092 -4.102 2.699 1.00 0.00 H new ATOM 1117 N SER A 73 -8.835 -6.321 7.142 1.00 0.00 N ATOM 1118 CA SER A 73 -9.762 -5.230 7.451 1.00 0.00 C ATOM 1119 C SER A 73 -9.172 -3.849 7.126 1.00 0.00 C ATOM 1120 O SER A 73 -7.949 -3.663 7.089 1.00 0.00 O ATOM 1121 CB SER A 73 -10.157 -5.319 8.929 1.00 0.00 C ATOM 1122 OG SER A 73 -11.231 -4.441 9.210 1.00 0.00 O ATOM 0 H SER A 73 -7.856 -6.039 7.185 1.00 0.00 H new ATOM 0 HA SER A 73 -10.644 -5.341 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.443 -6.342 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.301 -5.068 9.556 1.00 0.00 H new ATOM 0 HG SER A 73 -11.829 -4.397 8.435 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.050 -2.867 6.905 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.705 -1.488 6.556 1.00 0.00 C ATOM 1130 C PHE A 74 -10.800 -0.495 6.988 1.00 0.00 C ATOM 1131 O PHE A 74 -11.969 -0.858 7.150 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.390 -1.397 5.051 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.498 -1.896 4.138 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.547 -1.035 3.764 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.489 -3.229 3.678 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.586 -1.512 2.947 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.519 -3.700 2.842 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.570 -2.840 2.487 1.00 0.00 C ATOM 0 H PHE A 74 -11.057 -3.017 6.967 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.810 -1.201 7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.173 -0.358 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.485 -1.970 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.553 -0.010 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.688 -3.892 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.399 -0.856 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.501 -4.716 2.476 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.370 -3.200 1.857 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.402 0.766 7.177 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.259 1.882 7.590 1.00 0.00 C ATOM 1150 C GLU A 75 -11.305 2.950 6.485 1.00 0.00 C ATOM 1151 O GLU A 75 -10.271 3.316 5.920 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.689 2.497 8.877 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.646 3.484 9.570 1.00 0.00 C ATOM 1154 CD GLU A 75 -10.873 4.588 10.300 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.078 4.253 11.209 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.070 5.784 9.967 1.00 0.00 O ATOM 0 H GLU A 75 -9.432 1.050 7.041 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.271 1.517 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.442 1.696 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.758 3.013 8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.310 3.930 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.275 2.947 10.280 1.00 0.00 H new ATOM 1163 N SER A 76 -12.485 3.502 6.207 1.00 0.00 N ATOM 1164 CA SER A 76 -12.691 4.548 5.194 1.00 0.00 C ATOM 1165 C SER A 76 -13.710 5.608 5.657 1.00 0.00 C ATOM 1166 O SER A 76 -14.508 5.360 6.566 1.00 0.00 O ATOM 1167 CB SER A 76 -13.083 3.908 3.853 1.00 0.00 C ATOM 1168 OG SER A 76 -12.966 4.832 2.782 1.00 0.00 O ATOM 0 H SER A 76 -13.344 3.233 6.686 1.00 0.00 H new ATOM 0 HA SER A 76 -11.751 5.081 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.446 3.044 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.108 3.542 3.909 1.00 0.00 H new ATOM 0 HG SER A 76 -12.166 5.384 2.912 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.634 6.819 5.084 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.405 8.006 5.490 1.00 0.00 C ATOM 1176 C GLY A 77 -15.725 8.207 4.741 1.00 0.00 C ATOM 1177 O GLY A 77 -16.043 7.498 3.786 1.00 0.00 O ATOM 0 H GLY A 77 -13.012 7.006 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.617 7.936 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.785 8.891 5.346 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.494 9.225 5.155 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.867 9.491 4.671 1.00 0.00 C ATOM 1183 C ARG A 78 -18.017 9.804 3.166 1.00 0.00 C ATOM 1184 O ARG A 78 -19.132 9.771 2.642 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.597 10.494 5.590 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.441 11.970 5.213 1.00 0.00 C ATOM 1187 CD ARG A 78 -17.002 12.480 5.273 1.00 0.00 C ATOM 1188 NE ARG A 78 -16.638 12.959 6.620 1.00 0.00 N ATOM 1189 CZ ARG A 78 -15.651 13.798 6.925 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -14.836 14.286 6.011 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -15.469 14.161 8.176 1.00 0.00 N ATOM 0 H ARG A 78 -16.178 9.902 5.849 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.378 8.531 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.659 10.249 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.234 10.357 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.826 12.119 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.057 12.572 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.322 11.681 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.875 13.290 4.554 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.200 12.612 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.951 14.023 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.090 14.927 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.083 13.800 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.714 14.804 8.416 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.906 10.085 2.474 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.854 10.452 1.047 1.00 0.00 C ATOM 1207 C ARG A 79 -16.777 9.265 0.067 1.00 0.00 C ATOM 1208 O ARG A 79 -17.004 9.454 -1.130 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.687 11.422 0.826 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.310 10.802 1.123 1.00 0.00 C ATOM 1211 CD ARG A 79 -13.172 11.805 0.916 1.00 0.00 C ATOM 1212 NE ARG A 79 -12.992 12.153 -0.508 1.00 0.00 N ATOM 1213 CZ ARG A 79 -13.204 13.328 -1.092 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -13.643 14.379 -0.429 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -12.973 13.462 -2.379 1.00 0.00 N ATOM 0 H ARG A 79 -15.982 10.063 2.906 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.807 10.927 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.705 11.770 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.827 12.297 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.290 10.438 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.154 9.939 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.379 12.710 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.245 11.386 1.307 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.666 11.402 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.833 14.308 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.793 15.263 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.634 12.668 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.133 14.360 -2.835 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.443 8.062 0.545 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.345 6.846 -0.287 1.00 0.00 C ATOM 1231 C CYS A 80 -17.730 6.256 -0.654 1.00 0.00 C ATOM 1232 O CYS A 80 -18.768 6.781 -0.246 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.409 5.835 0.404 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.249 5.015 1.788 1.00 0.00 S ATOM 0 H CYS A 80 -16.230 7.898 1.529 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.907 7.111 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.076 5.089 -0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.518 6.347 0.766 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.314 5.829 2.800 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.748 5.152 -1.412 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.974 4.476 -1.866 1.00 0.00 C ATOM 1242 C GLN A 81 -19.871 4.011 -0.705 1.00 0.00 C ATOM 1243 O GLN A 81 -21.095 4.141 -0.780 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.574 3.285 -2.764 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.780 2.437 -3.215 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.444 1.356 -4.247 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.382 1.327 -4.856 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.332 0.406 -4.463 1.00 0.00 N ATOM 0 H GLN A 81 -16.896 4.694 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.570 5.194 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.052 3.660 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.872 2.650 -2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.222 1.961 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.538 3.099 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.221 0.416 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.130 -0.339 -5.130 1.00 0.00 H new ATOM 1257 N THR A 82 -19.269 3.469 0.357 1.00 0.00 N ATOM 1258 CA THR A 82 -19.963 2.848 1.498 1.00 0.00 C ATOM 1259 C THR A 82 -20.243 3.812 2.645 1.00 0.00 C ATOM 1260 O THR A 82 -21.119 3.554 3.471 1.00 0.00 O ATOM 1261 CB THR A 82 -19.139 1.669 2.015 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.804 2.063 2.257 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.117 0.552 0.976 1.00 0.00 C ATOM 0 H THR A 82 -18.254 3.448 0.453 1.00 0.00 H new ATOM 0 HA THR A 82 -20.933 2.516 1.127 1.00 0.00 H new ATOM 0 HB THR A 82 -19.598 1.322 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.469 1.609 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.528 -0.284 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.136 0.218 0.779 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.672 0.923 0.053 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.499 4.914 2.690 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.502 5.891 3.779 1.00 0.00 C ATOM 1273 C GLY A 83 -18.569 5.490 4.927 1.00 0.00 C ATOM 1274 O GLY A 83 -17.805 4.528 4.827 1.00 0.00 O ATOM 0 H GLY A 83 -18.852 5.162 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.199 6.864 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.517 6.002 4.161 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.624 6.256 6.019 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.732 6.092 7.168 1.00 0.00 C ATOM 1280 C GLN A 84 -17.989 4.776 7.921 1.00 0.00 C ATOM 1281 O GLN A 84 -19.124 4.478 8.302 1.00 0.00 O ATOM 1282 CB GLN A 84 -17.784 7.328 8.088 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.162 7.651 8.702 1.00 0.00 C ATOM 1284 CD GLN A 84 -19.200 8.983 9.461 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -18.204 9.672 9.657 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -20.363 9.413 9.908 1.00 0.00 N ATOM 0 H GLN A 84 -19.296 7.015 6.131 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.713 6.019 6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.071 7.184 8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.449 8.195 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.908 7.674 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.445 6.847 9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.205 8.857 9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.421 10.302 10.405 1.00 0.00 H new ATOM 1295 N GLY A 85 -16.931 3.985 8.139 1.00 0.00 N ATOM 1296 CA GLY A 85 -16.996 2.703 8.837 1.00 0.00 C ATOM 1297 C GLY A 85 -15.781 1.812 8.593 1.00 0.00 C ATOM 1298 O GLY A 85 -14.820 2.187 7.916 1.00 0.00 O ATOM 0 H GLY A 85 -15.990 4.226 7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.093 2.886 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.894 2.172 8.522 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.848 0.618 9.177 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.843 -0.451 9.087 1.00 0.00 C ATOM 1304 C ILE A 86 -15.509 -1.722 8.554 1.00 0.00 C ATOM 1305 O ILE A 86 -16.625 -2.053 8.972 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.213 -0.698 10.479 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.434 0.555 10.938 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.278 -1.921 10.475 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.193 0.596 12.445 1.00 0.00 C ATOM 0 H ILE A 86 -16.644 0.351 9.757 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.047 -0.157 8.402 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.025 -0.901 11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.474 0.587 10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.986 1.447 10.641 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.856 -2.060 11.470 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.843 -2.810 10.193 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.472 -1.761 9.759 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.641 1.501 12.701 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.150 0.595 12.967 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.615 -0.278 12.745 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.805 -2.437 7.674 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.287 -3.634 6.984 1.00 0.00 C ATOM 1323 C PHE A 87 -14.207 -4.726 7.022 1.00 0.00 C ATOM 1324 O PHE A 87 -13.061 -4.481 6.636 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.665 -3.255 5.542 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.634 -2.091 5.439 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -18.003 -2.292 5.697 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.167 -0.802 5.121 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.905 -1.215 5.621 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.063 0.279 5.064 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.433 0.073 5.312 1.00 0.00 C ATOM 0 H PHE A 87 -13.850 -2.189 7.414 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.172 -4.032 7.480 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.756 -3.007 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -16.105 -4.124 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.363 -3.277 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.118 -0.643 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.958 -1.377 5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.700 1.269 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.121 0.904 5.265 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.572 -5.926 7.491 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.646 -7.029 7.769 1.00 0.00 C ATOM 1343 C ALA A 88 -14.001 -8.304 6.988 1.00 0.00 C ATOM 1344 O ALA A 88 -15.172 -8.685 6.859 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.619 -7.278 9.281 1.00 0.00 C ATOM 0 H ALA A 88 -15.544 -6.162 7.692 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.650 -6.746 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.934 -8.096 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.284 -6.376 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.620 -7.539 9.625 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.960 -8.972 6.483 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.074 -10.073 5.531 1.00 0.00 C ATOM 1353 C PHE A 89 -12.126 -11.222 5.884 1.00 0.00 C ATOM 1354 O PHE A 89 -10.918 -11.034 6.032 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.801 -9.561 4.104 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.629 -8.368 3.659 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.241 -7.064 4.026 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.784 -8.552 2.876 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -14.024 -5.960 3.653 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.560 -7.442 2.490 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.188 -6.147 2.889 1.00 0.00 C ATOM 0 H PHE A 89 -11.995 -8.755 6.732 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.090 -10.463 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.747 -9.295 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.974 -10.380 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.337 -6.913 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.076 -9.546 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.731 -4.965 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.443 -7.586 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.795 -5.298 2.609 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.672 -12.431 5.993 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.896 -13.657 6.174 1.00 0.00 C ATOM 1373 C LYS A 90 -11.192 -14.086 4.875 1.00 0.00 C ATOM 1374 O LYS A 90 -11.809 -14.117 3.805 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.801 -14.777 6.722 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.836 -14.761 8.254 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.594 -15.983 8.794 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.587 -15.955 10.329 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.434 -17.029 10.909 1.00 0.00 N ATOM 0 H LYS A 90 -13.679 -12.589 5.958 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.110 -13.458 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.811 -14.656 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.438 -15.744 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.819 -14.756 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.316 -13.846 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.620 -15.980 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.128 -16.901 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.564 -16.066 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.944 -14.985 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.983 -17.400 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.370 -16.643 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.543 -17.797 10.217 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.912 -14.447 5.006 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.999 -14.935 3.965 1.00 0.00 C ATOM 1395 C CYS A 91 -7.641 -15.321 4.582 1.00 0.00 C ATOM 1396 O CYS A 91 -7.001 -14.512 5.252 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.835 -13.875 2.852 1.00 0.00 C ATOM 1398 SG CYS A 91 -8.339 -12.259 3.529 1.00 0.00 S ATOM 0 H CYS A 91 -9.450 -14.402 5.914 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.425 -15.830 3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.088 -14.214 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -9.774 -13.769 2.309 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.211 -11.403 2.559 1.00 0.00 H new ATOM 1404 N SER A 92 -7.146 -16.527 4.314 1.00 0.00 N ATOM 1405 CA SER A 92 -5.808 -16.975 4.759 1.00 0.00 C ATOM 1406 C SER A 92 -4.650 -16.233 4.057 1.00 0.00 C ATOM 1407 O SER A 92 -3.496 -16.335 4.477 1.00 0.00 O ATOM 1408 CB SER A 92 -5.667 -18.489 4.540 1.00 0.00 C ATOM 1409 OG SER A 92 -6.746 -19.197 5.140 1.00 0.00 O ATOM 0 H SER A 92 -7.656 -17.231 3.781 1.00 0.00 H new ATOM 0 HA SER A 92 -5.734 -16.736 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.637 -18.704 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.723 -18.834 4.961 1.00 0.00 H new ATOM 0 HG SER A 92 -6.633 -20.158 4.985 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.964 -15.458 3.007 1.00 0.00 N ATOM 1416 CA ARG A 93 -4.041 -14.651 2.195 1.00 0.00 C ATOM 1417 C ARG A 93 -3.924 -13.188 2.691 1.00 0.00 C ATOM 1418 O ARG A 93 -3.370 -12.330 2.005 1.00 0.00 O ATOM 1419 CB ARG A 93 -4.511 -14.768 0.726 1.00 0.00 C ATOM 1420 CG ARG A 93 -3.432 -14.604 -0.358 1.00 0.00 C ATOM 1421 CD ARG A 93 -2.295 -15.625 -0.250 1.00 0.00 C ATOM 1422 NE ARG A 93 -1.448 -15.616 -1.456 1.00 0.00 N ATOM 1423 CZ ARG A 93 -0.263 -16.203 -1.591 1.00 0.00 C ATOM 1424 NH1 ARG A 93 0.355 -16.777 -0.581 1.00 0.00 N ATOM 1425 NH2 ARG A 93 0.312 -16.228 -2.773 1.00 0.00 N ATOM 0 H ARG A 93 -5.927 -15.373 2.683 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.024 -15.031 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.980 -15.743 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.283 -14.018 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.898 -14.694 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.014 -13.599 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.686 -15.402 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.712 -16.622 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.806 -15.110 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.075 -16.781 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.264 -17.218 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.151 -15.800 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.221 -16.676 -2.888 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.475 -12.879 3.875 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.580 -11.530 4.445 1.00 0.00 C ATOM 1441 C ALA A 94 -3.245 -10.762 4.531 1.00 0.00 C ATOM 1442 O ALA A 94 -3.208 -9.570 4.230 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.214 -11.653 5.837 1.00 0.00 C ATOM 0 H ALA A 94 -4.875 -13.592 4.485 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.197 -10.940 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.304 -10.663 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.203 -12.102 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.586 -12.281 6.469 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.152 -11.431 4.907 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.830 -10.812 5.037 1.00 0.00 C ATOM 1451 C GLU A 95 -0.211 -10.446 3.679 1.00 0.00 C ATOM 1452 O GLU A 95 0.445 -9.413 3.558 1.00 0.00 O ATOM 1453 CB GLU A 95 0.081 -11.755 5.826 1.00 0.00 C ATOM 1454 CG GLU A 95 1.451 -11.129 6.112 1.00 0.00 C ATOM 1455 CD GLU A 95 2.308 -11.926 7.112 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.033 -13.121 7.374 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.301 -11.359 7.628 1.00 0.00 O ATOM 0 H GLU A 95 -2.160 -12.426 5.132 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.943 -9.870 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.400 -12.019 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.216 -12.681 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.999 -11.035 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.304 -10.120 6.498 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.438 -11.245 2.638 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.032 -10.920 1.272 1.00 0.00 C ATOM 1466 C GLU A 96 -0.820 -9.721 0.726 1.00 0.00 C ATOM 1467 O GLU A 96 -0.231 -8.868 0.064 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.217 -12.126 0.344 1.00 0.00 C ATOM 1469 CG GLU A 96 0.775 -13.270 0.590 1.00 0.00 C ATOM 1470 CD GLU A 96 0.567 -14.072 1.890 1.00 0.00 C ATOM 1471 OE1 GLU A 96 -0.535 -14.037 2.483 1.00 0.00 O ATOM 1472 OE2 GLU A 96 1.520 -14.773 2.304 1.00 0.00 O ATOM 0 H GLU A 96 -0.913 -12.144 2.720 1.00 0.00 H new ATOM 0 HA GLU A 96 1.025 -10.656 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.231 -12.508 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.120 -11.793 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.721 -13.960 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.783 -12.856 0.599 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.116 -9.601 1.047 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.906 -8.399 0.713 1.00 0.00 C ATOM 1481 C ILE A 97 -2.311 -7.166 1.407 1.00 0.00 C ATOM 1482 O ILE A 97 -2.102 -6.140 0.760 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.404 -8.564 1.074 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.054 -9.752 0.333 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.157 -7.263 0.734 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.430 -10.136 0.895 1.00 0.00 C ATOM 0 H ILE A 97 -2.644 -10.322 1.539 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.854 -8.260 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.469 -8.771 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.157 -9.501 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.391 -10.615 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.211 -7.376 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.733 -6.437 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.060 -7.054 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.832 -10.977 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.329 -10.418 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.107 -9.286 0.811 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.991 -7.279 2.700 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.379 -6.213 3.497 1.00 0.00 C ATOM 1500 C PHE A 98 -0.007 -5.779 2.932 1.00 0.00 C ATOM 1501 O PHE A 98 0.254 -4.580 2.802 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.333 -6.688 4.955 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.177 -6.182 5.785 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.229 -4.913 6.388 1.00 0.00 C ATOM 1505 CD2 PHE A 98 0.944 -7.007 5.982 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.838 -4.484 7.193 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.016 -6.571 6.774 1.00 0.00 C ATOM 1508 CZ PHE A 98 1.962 -5.309 7.383 1.00 0.00 C ATOM 0 H PHE A 98 -2.154 -8.133 3.233 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.979 -5.304 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.261 -6.389 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.307 -7.778 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.084 -4.272 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.980 -7.983 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.796 -3.516 7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.879 -7.204 6.914 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.783 -4.970 7.998 1.00 0.00 H new ATOM 1518 N ASN A 99 0.841 -6.735 2.528 1.00 0.00 N ATOM 1519 CA ASN A 99 2.154 -6.474 1.927 1.00 0.00 C ATOM 1520 C ASN A 99 2.071 -5.883 0.510 1.00 0.00 C ATOM 1521 O ASN A 99 2.926 -5.073 0.141 1.00 0.00 O ATOM 1522 CB ASN A 99 2.996 -7.762 1.911 1.00 0.00 C ATOM 1523 CG ASN A 99 3.735 -7.987 3.228 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.785 -7.412 3.466 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.206 -8.808 4.111 1.00 0.00 N ATOM 0 H ASN A 99 0.629 -7.729 2.612 1.00 0.00 H new ATOM 0 HA ASN A 99 2.634 -5.720 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.348 -8.615 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.718 -7.712 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.674 -8.968 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.328 -9.284 3.903 1.00 0.00 H new ATOM 1532 N LEU A 100 1.052 -6.237 -0.286 1.00 0.00 N ATOM 1533 CA LEU A 100 0.855 -5.668 -1.625 1.00 0.00 C ATOM 1534 C LEU A 100 0.238 -4.265 -1.516 1.00 0.00 C ATOM 1535 O LEU A 100 0.665 -3.357 -2.223 1.00 0.00 O ATOM 1536 CB LEU A 100 0.020 -6.657 -2.465 1.00 0.00 C ATOM 1537 CG LEU A 100 0.314 -6.632 -3.981 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.495 -7.738 -4.668 1.00 0.00 C ATOM 1539 CD2 LEU A 100 0.023 -5.293 -4.664 1.00 0.00 C ATOM 0 H LEU A 100 0.345 -6.923 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 100 1.806 -5.532 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.196 -7.666 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.037 -6.440 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 100 1.387 -6.794 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.292 -7.726 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.211 -8.706 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.558 -7.570 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.258 -5.367 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.031 -5.044 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.635 -4.513 -4.211 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.676 -4.038 -0.564 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.279 -2.725 -0.326 1.00 0.00 C ATOM 1553 C LEU A 101 -0.238 -1.642 -0.062 1.00 0.00 C ATOM 1554 O LEU A 101 -0.256 -0.629 -0.750 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.287 -2.787 0.836 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.715 -3.059 0.348 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.624 -3.392 1.530 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.274 -1.836 -0.395 1.00 0.00 C ATOM 0 H LEU A 101 -1.018 -4.765 0.064 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.805 -2.454 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.988 -3.569 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.265 -1.845 1.385 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.684 -3.908 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.635 -3.583 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.247 -4.279 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.639 -2.552 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.288 -2.048 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.288 -0.977 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.643 -1.613 -1.256 1.00 0.00 H new ATOM 1570 N GLN A 102 0.684 -1.855 0.876 1.00 0.00 N ATOM 1571 CA GLN A 102 1.723 -0.863 1.188 1.00 0.00 C ATOM 1572 C GLN A 102 2.638 -0.523 -0.013 1.00 0.00 C ATOM 1573 O GLN A 102 3.184 0.578 -0.068 1.00 0.00 O ATOM 1574 CB GLN A 102 2.534 -1.287 2.422 1.00 0.00 C ATOM 1575 CG GLN A 102 3.320 -2.591 2.246 1.00 0.00 C ATOM 1576 CD GLN A 102 4.203 -2.892 3.458 1.00 0.00 C ATOM 1577 OE1 GLN A 102 3.723 -3.182 4.546 1.00 0.00 O ATOM 1578 NE2 GLN A 102 5.515 -2.825 3.328 1.00 0.00 N ATOM 0 H GLN A 102 0.736 -2.706 1.436 1.00 0.00 H new ATOM 0 HA GLN A 102 1.200 0.064 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.231 -0.488 2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.855 -1.398 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.625 -3.416 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.941 -2.523 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.927 -2.584 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.117 -3.014 4.129 1.00 0.00 H new ATOM 1587 N ASP A 103 2.762 -1.422 -0.996 1.00 0.00 N ATOM 1588 CA ASP A 103 3.533 -1.220 -2.230 1.00 0.00 C ATOM 1589 C ASP A 103 2.782 -0.392 -3.292 1.00 0.00 C ATOM 1590 O ASP A 103 3.411 0.150 -4.201 1.00 0.00 O ATOM 1591 CB ASP A 103 3.965 -2.591 -2.793 1.00 0.00 C ATOM 1592 CG ASP A 103 5.434 -2.914 -2.472 1.00 0.00 C ATOM 1593 OD1 ASP A 103 5.769 -3.123 -1.280 1.00 0.00 O ATOM 1594 OD2 ASP A 103 6.257 -2.960 -3.420 1.00 0.00 O ATOM 0 H ASP A 103 2.315 -2.338 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 103 4.414 -0.632 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.325 -3.370 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.820 -2.600 -3.873 1.00 0.00 H new ATOM 1599 N LEU A 104 1.456 -0.261 -3.163 1.00 0.00 N ATOM 1600 CA LEU A 104 0.596 0.576 -4.017 1.00 0.00 C ATOM 1601 C LEU A 104 0.206 1.891 -3.325 1.00 0.00 C ATOM 1602 O LEU A 104 0.177 2.942 -3.961 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.653 -0.229 -4.428 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.356 -1.550 -5.170 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.680 -2.248 -5.493 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.454 -1.345 -6.459 1.00 0.00 C ATOM 0 H LEU A 104 0.932 -0.750 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 104 1.157 0.850 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.234 -0.454 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.278 0.397 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 104 0.256 -2.166 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.480 -3.182 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.216 -2.459 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.288 -1.600 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.631 -2.310 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.103 -0.701 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.409 -0.879 -6.218 1.00 0.00 H new ATOM 1618 N MET A 105 -0.017 1.857 -2.010 1.00 0.00 N ATOM 1619 CA MET A 105 -0.359 3.015 -1.169 1.00 0.00 C ATOM 1620 C MET A 105 0.743 4.088 -1.158 1.00 0.00 C ATOM 1621 O MET A 105 0.453 5.271 -1.000 1.00 0.00 O ATOM 1622 CB MET A 105 -0.641 2.530 0.263 1.00 0.00 C ATOM 1623 CG MET A 105 -1.944 1.726 0.390 1.00 0.00 C ATOM 1624 SD MET A 105 -3.455 2.716 0.453 1.00 0.00 S ATOM 1625 CE MET A 105 -3.509 3.098 2.216 1.00 0.00 C ATOM 0 H MET A 105 0.037 0.989 -1.477 1.00 0.00 H new ATOM 0 HA MET A 105 -1.246 3.484 -1.594 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.192 1.913 0.600 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.689 3.392 0.928 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.013 1.040 -0.454 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.890 1.117 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.963 4.078 2.362 1.00 0.00 H new ATOM 0 HE2 MET A 105 -4.100 2.343 2.734 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.496 3.104 2.618 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.730 -5.608 6.256 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.073 -5.427 7.675 1.00 0.00 C ATOM 2273 C PHE B 2 -20.248 -4.296 8.301 1.00 0.00 C ATOM 2274 O PHE B 2 -19.017 -4.335 8.270 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.858 -6.748 8.428 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.398 -6.744 9.847 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.638 -6.203 10.903 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.669 -7.288 10.112 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.151 -6.199 12.213 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.173 -7.303 11.424 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.419 -6.748 12.475 1.00 0.00 C ATOM 0 HA PHE B 2 -22.123 -5.144 7.751 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.335 -7.554 7.871 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.791 -6.969 8.457 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.659 -5.790 10.706 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.259 -7.695 9.304 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.570 -5.774 13.018 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.139 -7.741 11.626 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.813 -6.744 13.480 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.933 -3.308 8.891 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.319 -2.162 9.571 1.00 0.00 C ATOM 2293 C ARG B 3 -19.835 -2.552 10.979 1.00 0.00 C ATOM 2294 O ARG B 3 -20.634 -2.929 11.839 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.305 -0.971 9.567 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.619 -1.204 10.345 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.677 -0.122 10.103 1.00 0.00 C ATOM 2298 NE ARG B 3 -24.327 -0.256 8.785 1.00 0.00 N ATOM 2299 CZ ARG B 3 -25.476 0.303 8.419 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -26.155 1.099 9.220 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -25.969 0.061 7.223 1.00 0.00 N ATOM 0 H ARG B 3 -21.953 -3.283 8.909 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.427 -1.844 9.031 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.801 -0.101 9.988 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.551 -0.727 8.534 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -23.031 -2.173 10.063 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.397 -1.251 11.411 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -24.434 -0.176 10.886 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -23.211 0.861 10.177 1.00 0.00 H new ATOM 0 HE ARG B 3 -23.850 -0.831 8.090 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -25.802 1.304 10.155 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -27.034 1.511 8.905 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -25.470 -0.554 6.580 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -26.851 0.488 6.939 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.526 -2.476 11.228 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.938 -2.721 12.553 1.00 0.00 C ATOM 2317 C LEU B 4 -17.885 -1.452 13.415 1.00 0.00 C ATOM 2318 O LEU B 4 -17.798 -0.332 12.908 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.539 -3.341 12.403 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.540 -4.820 11.994 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.101 -5.242 11.696 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.082 -5.736 13.093 1.00 0.00 C ATOM 0 H LEU B 4 -17.837 -2.241 10.513 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.587 -3.425 13.074 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.981 -2.772 11.660 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.007 -3.239 13.349 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.188 -4.918 11.123 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.083 -6.292 11.403 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.704 -4.632 10.885 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.489 -5.103 12.587 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.059 -6.770 12.749 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.465 -5.637 13.986 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.108 -5.454 13.328 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.898 -1.669 14.736 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.848 -0.629 15.783 1.00 0.00 C ATOM 2336 C ARG B 5 -16.421 -0.346 16.302 1.00 0.00 C ATOM 2337 O ARG B 5 -16.223 0.522 17.154 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.769 -1.036 16.949 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.246 -1.158 16.529 1.00 0.00 C ATOM 2340 CD ARG B 5 -21.171 -1.428 17.724 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.933 -2.754 18.327 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.441 -3.199 19.471 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -22.250 -2.466 20.210 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -21.140 -4.408 19.894 1.00 0.00 N ATOM 0 H ARG B 5 -17.945 -2.611 15.125 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.194 0.300 15.329 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.432 -1.989 17.356 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.683 -0.300 17.748 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.557 -0.239 16.032 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.350 -1.964 15.803 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -21.021 -0.656 18.479 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -22.209 -1.360 17.400 1.00 0.00 H new ATOM 0 HE ARG B 5 -20.320 -3.389 17.817 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -22.504 -1.525 19.908 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -22.622 -2.840 21.083 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -20.518 -5.001 19.344 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -21.528 -4.753 20.772 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.430 -1.079 15.796 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.020 -1.085 16.212 1.00 0.00 C ATOM 2360 C HIS B 6 -13.126 -1.688 15.106 1.00 0.00 C ATOM 2361 O HIS B 6 -13.630 -2.351 14.194 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.881 -1.884 17.521 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.207 -3.346 17.356 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -13.314 -4.335 16.933 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -15.444 -3.902 17.508 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -14.040 -5.462 16.841 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.324 -5.229 17.181 1.00 0.00 N ATOM 0 H HIS B 6 -15.599 -1.732 15.030 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.691 -0.060 16.381 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.862 -1.785 17.894 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.540 -1.453 18.275 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -16.344 -3.395 17.825 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -13.649 -6.422 16.537 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -16.075 -5.919 17.193 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.806 -1.478 15.184 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.851 -2.047 14.229 1.00 0.00 C ATOM 2377 C PHE B 7 -10.274 -3.375 14.776 1.00 0.00 C ATOM 2378 O PHE B 7 -9.662 -3.354 15.849 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.773 -1.001 13.887 1.00 0.00 C ATOM 2380 CG PHE B 7 -9.042 -1.302 12.595 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.771 -1.424 11.400 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.651 -1.500 12.576 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.132 -1.805 10.214 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -7.014 -1.900 11.390 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.752 -2.055 10.207 1.00 0.00 C ATOM 0 H PHE B 7 -11.372 -0.909 15.911 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.353 -2.297 13.294 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.239 -0.018 13.813 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -9.052 -0.951 14.703 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.832 -1.222 11.396 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.071 -1.344 13.474 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.703 -1.907 9.303 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.951 -2.089 11.389 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.261 -2.365 9.297 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.470 -4.523 14.088 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.141 -5.843 14.629 1.00 0.00 C ATOM 2397 C PRO B 8 -8.650 -6.194 14.522 1.00 0.00 C ATOM 2398 O PRO B 8 -8.173 -7.040 15.277 1.00 0.00 O ATOM 2399 CB PRO B 8 -10.990 -6.826 13.814 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.072 -6.155 12.445 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.149 -4.673 12.805 1.00 0.00 C ATOM 0 HA PRO B 8 -10.353 -5.878 15.698 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.523 -7.809 13.754 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -11.977 -6.968 14.254 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.199 -6.378 11.831 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.948 -6.482 11.885 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.671 -4.062 12.039 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.186 -4.344 12.874 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.907 -5.558 13.606 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.503 -5.867 13.336 1.00 0.00 C ATOM 2411 C CYS B 9 -5.571 -5.007 14.206 1.00 0.00 C ATOM 2412 O CYS B 9 -5.461 -3.795 14.002 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.235 -5.671 11.835 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.262 -6.811 10.856 1.00 0.00 S ATOM 0 H CYS B 9 -8.273 -4.804 13.025 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.296 -6.905 13.597 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.451 -4.641 11.551 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.181 -5.846 11.621 1.00 0.00 H new ATOM 0 HG CYS B 9 -7.237 -6.453 9.607 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.864 -5.641 15.150 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.855 -4.983 15.998 1.00 0.00 C ATOM 2422 C GLY B 10 -2.564 -4.653 15.241 1.00 0.00 C ATOM 2423 O GLY B 10 -1.870 -3.699 15.595 1.00 0.00 O ATOM 0 H GLY B 10 -4.975 -6.635 15.351 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.275 -4.064 16.408 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.620 -5.630 16.843 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.268 -5.402 14.174 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.201 -5.103 13.216 1.00 0.00 C ATOM 2429 C ASN B 11 -1.778 -4.269 12.057 1.00 0.00 C ATOM 2430 O ASN B 11 -2.689 -4.723 11.359 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.574 -6.413 12.716 1.00 0.00 C ATOM 2432 CG ASN B 11 0.067 -7.216 13.844 1.00 0.00 C ATOM 2433 OD1 ASN B 11 0.996 -6.766 14.505 1.00 0.00 O ATOM 2434 ND2 ASN B 11 -0.413 -8.420 14.106 1.00 0.00 N ATOM 0 H ASN B 11 -2.778 -6.256 13.948 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.415 -4.520 13.696 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.340 -7.018 12.232 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.179 -6.188 11.960 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -0.010 -8.977 14.860 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -1.186 -8.792 13.554 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.265 -3.050 11.864 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.815 -2.027 10.969 1.00 0.00 C ATOM 2443 C VAL B 12 -0.726 -1.027 10.551 1.00 0.00 C ATOM 2444 O VAL B 12 0.241 -0.811 11.282 1.00 0.00 O ATOM 2445 CB VAL B 12 -3.003 -1.317 11.669 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.584 -0.365 12.802 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.857 -0.522 10.685 1.00 0.00 C ATOM 0 H VAL B 12 -0.422 -2.737 12.346 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.182 -2.501 10.058 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.578 -2.136 12.101 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.471 0.092 13.240 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.048 -0.925 13.568 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.935 0.414 12.401 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.677 -0.042 11.220 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.243 0.239 10.203 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.262 -1.194 9.929 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.906 -0.403 9.388 1.00 0.00 N ATOM 2458 CA ASN B 13 -0.074 0.679 8.854 1.00 0.00 C ATOM 2459 C ASN B 13 -0.900 1.715 8.062 1.00 0.00 C ATOM 2460 O ASN B 13 -2.118 1.587 7.900 1.00 0.00 O ATOM 2461 CB ASN B 13 1.136 0.122 8.065 1.00 0.00 C ATOM 2462 CG ASN B 13 0.827 -0.881 6.954 1.00 0.00 C ATOM 2463 OD1 ASN B 13 -0.287 -1.347 6.772 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.836 -1.271 6.196 1.00 0.00 N ATOM 0 H ASN B 13 -1.672 -0.648 8.761 1.00 0.00 H new ATOM 0 HA ASN B 13 0.339 1.228 9.700 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.672 0.963 7.625 1.00 0.00 H new ATOM 0 HB3 ASN B 13 1.815 -0.353 8.773 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.684 -1.960 5.460 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.767 -0.883 6.347 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.225 2.781 7.614 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.823 3.994 7.043 1.00 0.00 C ATOM 2473 C TYR B 14 -0.013 4.469 5.817 1.00 0.00 C ATOM 2474 O TYR B 14 1.222 4.494 5.864 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.862 5.097 8.122 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.194 4.636 9.534 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.527 4.384 9.909 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.160 4.437 10.473 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -2.831 3.948 11.214 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.456 3.994 11.776 1.00 0.00 C ATOM 2481 CZ TYR B 14 -1.795 3.751 12.154 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.078 3.337 13.420 1.00 0.00 O ATOM 0 H TYR B 14 0.794 2.824 7.641 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.839 3.775 6.714 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.108 5.593 8.142 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.596 5.845 7.823 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.322 4.526 9.192 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.865 4.626 10.190 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.857 3.764 11.496 1.00 0.00 H new ATOM 0 HE2 TYR B 14 0.342 3.840 12.487 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.246 3.253 13.930 1.00 0.00 H new