USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 31 LYS NZ :NH3+ -151:sc= 0.193 (180deg=0.0651) USER MOD Set 1.2: A 56 TYR OH : rot -15:sc= -1.47 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 171:sc= -0.228 (180deg=-0.207) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -0.0217 (180deg=-0.851) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.251 (180deg=-1.6!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.224 USER MOD Single : A 26 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0231 K(o=-0.023,f=-1.5!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.0074) USER MOD Single : A 45 THR OG1 : rot 63:sc= 0.339 USER MOD Single : A 53 TYR OH : rot -161:sc= 0.732 USER MOD Single : A 55 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-0.99) USER MOD Single : A 58 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.218 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00365 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 73 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.6!) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 0.883 (180deg=0.489) USER MOD Single : A 80 TYR OH : rot -153:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.941 17.419 6.771 1.00 0.00 N ATOM 174 CA ILE A 11 11.700 16.679 6.967 1.00 0.00 C ATOM 175 C ILE A 11 10.513 17.626 7.112 1.00 0.00 C ATOM 176 O ILE A 11 10.438 18.401 8.065 1.00 0.00 O ATOM 177 CB ILE A 11 11.776 15.773 8.209 1.00 0.00 C ATOM 178 CG1 ILE A 11 13.038 14.910 8.163 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.534 14.899 8.304 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.218 15.526 8.883 1.00 0.00 C ATOM 0 HA ILE A 11 11.559 16.057 6.083 1.00 0.00 H new ATOM 0 HB ILE A 11 11.822 16.403 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.820 13.938 8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.310 14.733 7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.603 14.264 9.187 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.649 15.531 8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.459 14.275 7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.077 14.860 8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.462 16.485 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.965 15.678 9.932 1.00 0.00 H new ATOM 192 N ALA A 12 9.587 17.555 6.162 1.00 0.00 N ATOM 193 CA ALA A 12 8.402 18.402 6.186 1.00 0.00 C ATOM 194 C ALA A 12 7.160 17.599 6.559 1.00 0.00 C ATOM 195 O ALA A 12 6.724 16.726 5.809 1.00 0.00 O ATOM 196 CB ALA A 12 8.209 19.079 4.837 1.00 0.00 C ATOM 0 H ALA A 12 9.635 16.919 5.366 1.00 0.00 H new ATOM 0 HA ALA A 12 8.550 19.168 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.320 19.709 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.080 19.693 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.088 18.321 4.063 1.00 0.00 H new ATOM 202 N LYS A 13 6.596 17.899 7.724 1.00 0.00 N ATOM 203 CA LYS A 13 5.404 17.205 8.198 1.00 0.00 C ATOM 204 C LYS A 13 4.419 18.185 8.829 1.00 0.00 C ATOM 205 O LYS A 13 4.819 19.156 9.472 1.00 0.00 O ATOM 206 CB LYS A 13 5.787 16.126 9.213 1.00 0.00 C ATOM 207 CG LYS A 13 6.179 16.680 10.571 1.00 0.00 C ATOM 208 CD LYS A 13 6.485 15.568 11.560 1.00 0.00 C ATOM 209 CE LYS A 13 7.890 15.018 11.364 1.00 0.00 C ATOM 210 NZ LYS A 13 7.903 13.840 10.454 1.00 0.00 N ATOM 0 H LYS A 13 6.945 18.618 8.358 1.00 0.00 H new ATOM 0 HA LYS A 13 4.923 16.734 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.948 15.442 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.617 15.543 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.052 17.323 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.371 17.301 10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.380 15.945 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.759 14.764 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.532 15.799 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.307 14.735 12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.531 13.108 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.940 13.458 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.247 14.129 9.516 1.00 0.00 H new ATOM 224 N LYS A 14 3.130 17.924 8.642 1.00 0.00 N ATOM 225 CA LYS A 14 2.087 18.780 9.194 1.00 0.00 C ATOM 226 C LYS A 14 1.519 18.186 10.479 1.00 0.00 C ATOM 227 O LYS A 14 0.864 17.143 10.455 1.00 0.00 O ATOM 228 CB LYS A 14 0.966 18.978 8.172 1.00 0.00 C ATOM 229 CG LYS A 14 1.361 19.857 6.998 1.00 0.00 C ATOM 230 CD LYS A 14 0.476 19.605 5.790 1.00 0.00 C ATOM 231 CE LYS A 14 -0.914 20.193 5.984 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.755 20.045 4.764 1.00 0.00 N ATOM 0 H LYS A 14 2.782 17.125 8.112 1.00 0.00 H new ATOM 0 HA LYS A 14 2.532 19.747 9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.652 18.004 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.104 19.420 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.292 20.905 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.401 19.667 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.936 20.041 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.397 18.532 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.403 19.699 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.829 21.249 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.694 20.458 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.302 20.537 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.858 19.036 4.534 1.00 0.00 H new ATOM 246 N ILE A 15 1.772 18.856 11.598 1.00 0.00 N ATOM 247 CA ILE A 15 1.283 18.394 12.891 1.00 0.00 C ATOM 248 C ILE A 15 0.051 19.180 13.325 1.00 0.00 C ATOM 249 O ILE A 15 -0.366 20.122 12.653 1.00 0.00 O ATOM 250 CB ILE A 15 2.366 18.517 13.979 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.836 19.969 14.100 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.538 17.599 13.667 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.457 20.294 15.440 1.00 0.00 C ATOM 0 H ILE A 15 2.313 19.720 11.635 1.00 0.00 H new ATOM 0 HA ILE A 15 1.018 17.344 12.771 1.00 0.00 H new ATOM 0 HB ILE A 15 1.937 18.213 14.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.562 20.174 13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.987 20.632 13.932 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.295 17.698 14.445 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.191 16.567 13.627 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.969 17.874 12.705 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.766 21.339 15.454 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.727 20.121 16.231 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.326 19.656 15.603 1.00 0.00 H new ATOM 265 N ASN A 16 -0.527 18.787 14.456 1.00 0.00 N ATOM 266 CA ASN A 16 -1.712 19.455 14.981 1.00 0.00 C ATOM 267 C ASN A 16 -1.630 19.597 16.498 1.00 0.00 C ATOM 268 O ASN A 16 -2.634 19.847 17.164 1.00 0.00 O ATOM 269 CB ASN A 16 -2.974 18.679 14.598 1.00 0.00 C ATOM 270 CG ASN A 16 -3.422 18.968 13.179 1.00 0.00 C ATOM 271 OD1 ASN A 16 -3.370 18.097 12.310 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.865 20.196 12.937 1.00 0.00 N ATOM 0 H ASN A 16 -0.194 18.010 15.026 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.760 20.452 14.542 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.787 17.611 14.707 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.778 18.934 15.289 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.180 20.449 12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.891 20.886 13.688 1.00 0.00 H new ATOM 279 N SER A 17 -0.425 19.435 17.037 1.00 0.00 N ATOM 280 CA SER A 17 -0.211 19.541 18.476 1.00 0.00 C ATOM 281 C SER A 17 1.094 20.271 18.778 1.00 0.00 C ATOM 282 O SER A 17 2.160 19.885 18.298 1.00 0.00 O ATOM 283 CB SER A 17 -0.191 18.151 19.114 1.00 0.00 C ATOM 284 OG SER A 17 -1.212 17.328 18.576 1.00 0.00 O ATOM 0 H SER A 17 0.417 19.230 16.499 1.00 0.00 H new ATOM 0 HA SER A 17 -1.035 20.115 18.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.781 17.685 18.949 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.322 18.240 20.192 1.00 0.00 H new ATOM 0 HG SER A 17 -1.177 16.445 18.999 1.00 0.00 H new ATOM 290 N VAL A 18 1.002 21.328 19.578 1.00 0.00 N ATOM 291 CA VAL A 18 2.174 22.112 19.947 1.00 0.00 C ATOM 292 C VAL A 18 3.119 21.306 20.831 1.00 0.00 C ATOM 293 O VAL A 18 4.275 21.683 21.027 1.00 0.00 O ATOM 294 CB VAL A 18 1.776 23.404 20.685 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.801 24.219 19.848 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.180 23.078 22.046 1.00 0.00 C ATOM 0 H VAL A 18 0.127 21.661 19.983 1.00 0.00 H new ATOM 0 HA VAL A 18 2.683 22.374 19.020 1.00 0.00 H new ATOM 0 HB VAL A 18 2.673 24.004 20.841 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.531 25.128 20.386 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.269 24.484 18.900 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.096 23.630 19.658 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.905 24.002 22.553 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.293 22.457 21.916 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.914 22.540 22.645 1.00 0.00 H new ATOM 306 N ASP A 19 2.621 20.194 21.360 1.00 0.00 N ATOM 307 CA ASP A 19 3.421 19.333 22.223 1.00 0.00 C ATOM 308 C ASP A 19 4.610 18.755 21.461 1.00 0.00 C ATOM 309 O ASP A 19 5.708 18.636 22.003 1.00 0.00 O ATOM 310 CB ASP A 19 2.561 18.200 22.787 1.00 0.00 C ATOM 311 CG ASP A 19 3.290 17.392 23.842 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.103 16.522 23.467 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.045 17.627 25.044 1.00 0.00 O ATOM 0 H ASP A 19 1.667 19.868 21.206 1.00 0.00 H new ATOM 0 HA ASP A 19 3.799 19.937 23.048 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.651 18.618 23.218 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.255 17.540 21.975 1.00 0.00 H new ATOM 318 N ASP A 20 4.381 18.397 20.202 1.00 0.00 N ATOM 319 CA ASP A 20 5.433 17.831 19.366 1.00 0.00 C ATOM 320 C ASP A 20 6.298 18.932 18.761 1.00 0.00 C ATOM 321 O ASP A 20 6.454 19.014 17.542 1.00 0.00 O ATOM 322 CB ASP A 20 4.825 16.975 18.254 1.00 0.00 C ATOM 323 CG ASP A 20 4.509 15.566 18.715 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.380 14.942 19.355 1.00 0.00 O ATOM 325 OD2 ASP A 20 3.390 15.087 18.434 1.00 0.00 O ATOM 0 H ASP A 20 3.477 18.489 19.739 1.00 0.00 H new ATOM 0 HA ASP A 20 6.064 17.202 19.995 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.913 17.449 17.892 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.517 16.932 17.413 1.00 0.00 H new ATOM 330 N ILE A 21 6.858 19.777 19.621 1.00 0.00 N ATOM 331 CA ILE A 21 7.707 20.873 19.171 1.00 0.00 C ATOM 332 C ILE A 21 9.058 20.847 19.878 1.00 0.00 C ATOM 333 O ILE A 21 9.135 20.606 21.083 1.00 0.00 O ATOM 334 CB ILE A 21 7.039 22.239 19.415 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.737 22.345 18.617 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.989 23.368 19.041 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.977 23.628 18.867 1.00 0.00 C ATOM 0 H ILE A 21 6.739 19.723 20.633 1.00 0.00 H new ATOM 0 HA ILE A 21 7.857 20.737 18.100 1.00 0.00 H new ATOM 0 HB ILE A 21 6.801 22.326 20.475 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.965 22.269 17.554 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.097 21.499 18.867 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.502 24.327 19.219 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.891 23.301 19.649 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.254 23.286 17.987 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.066 23.634 18.269 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.718 23.697 19.923 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.599 24.479 18.590 1.00 0.00 H new ATOM 349 N ILE A 22 10.120 21.099 19.121 1.00 0.00 N ATOM 350 CA ILE A 22 11.468 21.107 19.675 1.00 0.00 C ATOM 351 C ILE A 22 12.183 22.417 19.362 1.00 0.00 C ATOM 352 O ILE A 22 11.613 23.315 18.741 1.00 0.00 O ATOM 353 CB ILE A 22 12.307 19.935 19.133 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.195 19.861 17.609 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.861 18.626 19.767 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.342 19.125 16.953 1.00 0.00 C ATOM 0 H ILE A 22 10.073 21.300 18.122 1.00 0.00 H new ATOM 0 HA ILE A 22 11.366 21.000 20.755 1.00 0.00 H new ATOM 0 HB ILE A 22 13.352 20.104 19.394 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.259 19.368 17.345 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.146 20.873 17.207 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.464 17.807 19.374 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.988 18.683 20.848 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.811 18.448 19.534 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.196 19.112 15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.279 19.630 17.186 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.379 18.102 17.327 1.00 0.00 H new ATOM 368 N ILE A 23 13.436 22.519 19.794 1.00 0.00 N ATOM 369 CA ILE A 23 14.230 23.718 19.557 1.00 0.00 C ATOM 370 C ILE A 23 14.656 23.816 18.096 1.00 0.00 C ATOM 371 O ILE A 23 14.904 24.906 17.581 1.00 0.00 O ATOM 372 CB ILE A 23 15.485 23.748 20.449 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.087 23.814 21.925 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.369 24.930 20.080 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.787 22.460 22.531 1.00 0.00 C ATOM 0 H ILE A 23 13.923 21.786 20.310 1.00 0.00 H new ATOM 0 HA ILE A 23 13.597 24.570 19.806 1.00 0.00 H new ATOM 0 HB ILE A 23 16.051 22.831 20.285 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.892 24.285 22.489 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.209 24.452 22.028 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.252 24.938 20.719 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.676 24.843 19.038 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.813 25.857 20.218 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.512 22.583 23.579 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.962 21.995 21.992 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.671 21.826 22.460 1.00 0.00 H new ATOM 387 N LYS A 24 14.737 22.668 17.431 1.00 0.00 N ATOM 388 CA LYS A 24 15.130 22.622 16.028 1.00 0.00 C ATOM 389 C LYS A 24 13.904 22.619 15.120 1.00 0.00 C ATOM 390 O LYS A 24 14.025 22.505 13.899 1.00 0.00 O ATOM 391 CB LYS A 24 15.983 21.381 15.756 1.00 0.00 C ATOM 392 CG LYS A 24 17.158 21.230 16.706 1.00 0.00 C ATOM 393 CD LYS A 24 18.172 22.346 16.520 1.00 0.00 C ATOM 394 CE LYS A 24 19.192 21.999 15.446 1.00 0.00 C ATOM 395 NZ LYS A 24 18.675 22.281 14.078 1.00 0.00 N ATOM 0 H LYS A 24 14.535 21.757 17.842 1.00 0.00 H new ATOM 0 HA LYS A 24 15.719 23.514 15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.353 20.495 15.827 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.357 21.425 14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.798 21.232 17.735 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.641 20.267 16.539 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.656 23.267 16.249 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.685 22.534 17.463 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.105 22.570 15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.457 20.945 15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.458 22.594 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.252 21.418 13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.954 23.029 14.127 1.00 0.00 H new ATOM 409 N CYS A 25 12.727 22.746 15.722 1.00 0.00 N ATOM 410 CA CYS A 25 11.479 22.758 14.967 1.00 0.00 C ATOM 411 C CYS A 25 11.141 24.170 14.499 1.00 0.00 C ATOM 412 O CYS A 25 11.309 25.137 15.241 1.00 0.00 O ATOM 413 CB CYS A 25 10.337 22.203 15.820 1.00 0.00 C ATOM 414 SG CYS A 25 8.690 22.534 15.153 1.00 0.00 S ATOM 0 H CYS A 25 12.610 22.842 16.731 1.00 0.00 H new ATOM 0 HA CYS A 25 11.608 22.125 14.089 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.466 21.126 15.924 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.405 22.630 16.821 1.00 0.00 H new ATOM 0 HG CYS A 25 7.792 22.024 15.942 1.00 0.00 H new ATOM 420 N GLN A 26 10.666 24.279 13.262 1.00 0.00 N ATOM 421 CA GLN A 26 10.307 25.574 12.694 1.00 0.00 C ATOM 422 C GLN A 26 8.848 25.587 12.250 1.00 0.00 C ATOM 423 O GLN A 26 8.401 24.696 11.527 1.00 0.00 O ATOM 424 CB GLN A 26 11.217 25.905 11.510 1.00 0.00 C ATOM 425 CG GLN A 26 12.684 25.598 11.765 1.00 0.00 C ATOM 426 CD GLN A 26 13.585 26.090 10.650 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.366 25.324 10.084 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.481 27.374 10.327 1.00 0.00 N ATOM 0 H GLN A 26 10.521 23.488 12.635 1.00 0.00 H new ATOM 0 HA GLN A 26 10.439 26.331 13.467 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.883 25.343 10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.113 26.962 11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.990 26.059 12.704 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.811 24.522 11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.820 27.973 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.062 27.761 9.583 1.00 0.00 H new ATOM 437 N CYS A 27 8.111 26.602 12.687 1.00 0.00 N ATOM 438 CA CYS A 27 6.702 26.731 12.335 1.00 0.00 C ATOM 439 C CYS A 27 6.392 28.139 11.836 1.00 0.00 C ATOM 440 O CYS A 27 7.298 28.943 11.616 1.00 0.00 O ATOM 441 CB CYS A 27 5.821 26.399 13.541 1.00 0.00 C ATOM 442 SG CYS A 27 5.859 27.647 14.848 1.00 0.00 S ATOM 0 H CYS A 27 8.466 27.348 13.286 1.00 0.00 H new ATOM 0 HA CYS A 27 6.488 26.025 11.532 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.792 26.274 13.203 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.138 25.443 13.957 1.00 0.00 H new ATOM 0 HG CYS A 27 5.082 27.278 15.823 1.00 0.00 H new ATOM 448 N TRP A 28 5.109 28.429 11.658 1.00 0.00 N ATOM 449 CA TRP A 28 4.680 29.739 11.183 1.00 0.00 C ATOM 450 C TRP A 28 3.815 30.440 12.226 1.00 0.00 C ATOM 451 O TRP A 28 2.924 29.831 12.818 1.00 0.00 O ATOM 452 CB TRP A 28 3.907 29.601 9.871 1.00 0.00 C ATOM 453 CG TRP A 28 4.777 29.246 8.703 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.273 28.011 8.397 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.255 30.136 7.688 1.00 0.00 C ATOM 456 NE1 TRP A 28 6.031 28.079 7.253 1.00 0.00 N ATOM 457 CE2 TRP A 28 6.034 29.372 6.798 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.098 31.502 7.444 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.655 29.931 5.684 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.715 32.056 6.338 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.485 31.272 5.469 1.00 0.00 C ATOM 0 H TRP A 28 4.347 27.775 11.835 1.00 0.00 H new ATOM 0 HA TRP A 28 5.570 30.344 11.010 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.139 28.836 9.989 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.393 30.539 9.660 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.096 27.113 8.970 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.513 27.295 6.814 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.505 32.114 8.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.249 29.328 5.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.601 33.112 6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.953 31.735 4.613 1.00 0.00 H new ATOM 472 N VAL A 29 4.084 31.723 12.445 1.00 0.00 N ATOM 473 CA VAL A 29 3.329 32.507 13.416 1.00 0.00 C ATOM 474 C VAL A 29 2.539 33.617 12.731 1.00 0.00 C ATOM 475 O VAL A 29 3.005 34.215 11.761 1.00 0.00 O ATOM 476 CB VAL A 29 4.255 33.130 14.476 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.443 33.887 15.516 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.110 32.057 15.133 1.00 0.00 C ATOM 0 H VAL A 29 4.819 32.242 11.964 1.00 0.00 H new ATOM 0 HA VAL A 29 2.637 31.822 13.906 1.00 0.00 H new ATOM 0 HB VAL A 29 4.919 33.839 13.982 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.115 34.320 16.257 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.879 34.682 15.029 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.753 33.202 16.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.759 32.515 15.880 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.465 31.322 15.615 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.720 31.564 14.376 1.00 0.00 H new ATOM 488 N GLN A 30 1.342 33.886 13.242 1.00 0.00 N ATOM 489 CA GLN A 30 0.488 34.925 12.679 1.00 0.00 C ATOM 490 C GLN A 30 0.842 36.292 13.254 1.00 0.00 C ATOM 491 O GLN A 30 0.716 36.524 14.457 1.00 0.00 O ATOM 492 CB GLN A 30 -0.983 34.609 12.953 1.00 0.00 C ATOM 493 CG GLN A 30 -1.949 35.458 12.143 1.00 0.00 C ATOM 494 CD GLN A 30 -2.140 34.940 10.731 1.00 0.00 C ATOM 495 OE1 GLN A 30 -1.587 33.905 10.358 1.00 0.00 O ATOM 496 NE2 GLN A 30 -2.926 35.658 9.938 1.00 0.00 N ATOM 0 H GLN A 30 0.942 33.399 14.044 1.00 0.00 H new ATOM 0 HA GLN A 30 0.653 34.951 11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.167 33.557 12.735 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.186 34.755 14.014 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.914 35.486 12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.580 36.483 12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.364 36.510 10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.092 35.358 8.977 1.00 0.00 H new ATOM 505 N LYS A 31 1.286 37.196 12.387 1.00 0.00 N ATOM 506 CA LYS A 31 1.658 38.542 12.808 1.00 0.00 C ATOM 507 C LYS A 31 1.258 39.571 11.755 1.00 0.00 C ATOM 508 O LYS A 31 1.455 39.358 10.559 1.00 0.00 O ATOM 509 CB LYS A 31 3.164 38.620 13.066 1.00 0.00 C ATOM 510 CG LYS A 31 3.631 37.742 14.214 1.00 0.00 C ATOM 511 CD LYS A 31 3.160 38.281 15.555 1.00 0.00 C ATOM 512 CE LYS A 31 4.045 39.420 16.039 1.00 0.00 C ATOM 513 NZ LYS A 31 4.191 39.418 17.521 1.00 0.00 N ATOM 0 H LYS A 31 1.397 37.021 11.388 1.00 0.00 H new ATOM 0 HA LYS A 31 1.125 38.767 13.732 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.695 38.331 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.435 39.654 13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.254 36.729 14.075 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.719 37.681 14.207 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.131 38.630 15.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.162 37.478 16.292 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.029 39.337 15.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.621 40.371 15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.347 40.390 17.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.326 39.037 17.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.002 38.825 17.789 1.00 0.00 H new ATOM 527 N ASN A 32 0.698 40.688 12.208 1.00 0.00 N ATOM 528 CA ASN A 32 0.272 41.750 11.304 1.00 0.00 C ATOM 529 C ASN A 32 -0.663 41.207 10.228 1.00 0.00 C ATOM 530 O ASN A 32 -0.460 41.444 9.037 1.00 0.00 O ATOM 531 CB ASN A 32 1.488 42.412 10.653 1.00 0.00 C ATOM 532 CG ASN A 32 1.208 43.840 10.225 1.00 0.00 C ATOM 533 OD1 ASN A 32 0.054 44.253 10.117 1.00 0.00 O ATOM 534 ND2 ASN A 32 2.268 44.601 9.978 1.00 0.00 N ATOM 0 H ASN A 32 0.529 40.881 13.195 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.270 42.494 11.888 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.322 42.403 11.354 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.795 41.829 9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.143 45.570 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.207 44.216 10.081 1.00 0.00 H new ATOM 541 N ASP A 33 -1.688 40.478 10.656 1.00 0.00 N ATOM 542 CA ASP A 33 -2.656 39.902 9.730 1.00 0.00 C ATOM 543 C ASP A 33 -1.953 39.106 8.635 1.00 0.00 C ATOM 544 O ASP A 33 -2.470 38.967 7.527 1.00 0.00 O ATOM 545 CB ASP A 33 -3.515 41.003 9.106 1.00 0.00 C ATOM 546 CG ASP A 33 -4.207 41.858 10.149 1.00 0.00 C ATOM 547 OD1 ASP A 33 -3.560 42.783 10.683 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.397 41.602 10.430 1.00 0.00 O ATOM 0 H ASP A 33 -1.870 40.272 11.638 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.300 39.224 10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.889 41.637 8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.264 40.551 8.456 1.00 0.00 H new ATOM 553 N GLU A 34 -0.772 38.586 8.954 1.00 0.00 N ATOM 554 CA GLU A 34 0.002 37.805 7.996 1.00 0.00 C ATOM 555 C GLU A 34 0.663 36.609 8.676 1.00 0.00 C ATOM 556 O GLU A 34 0.509 36.404 9.879 1.00 0.00 O ATOM 557 CB GLU A 34 1.067 38.681 7.332 1.00 0.00 C ATOM 558 CG GLU A 34 0.516 39.592 6.248 1.00 0.00 C ATOM 559 CD GLU A 34 1.502 40.667 5.833 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.716 40.376 5.799 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.060 41.798 5.542 1.00 0.00 O ATOM 0 H GLU A 34 -0.331 38.691 9.867 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.681 37.434 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.552 39.290 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.835 38.040 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.249 38.994 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.400 40.063 6.605 1.00 0.00 H new ATOM 568 N GLU A 35 1.398 35.824 7.895 1.00 0.00 N ATOM 569 CA GLU A 35 2.081 34.648 8.421 1.00 0.00 C ATOM 570 C GLU A 35 3.573 34.698 8.105 1.00 0.00 C ATOM 571 O GLU A 35 3.968 34.849 6.948 1.00 0.00 O ATOM 572 CB GLU A 35 1.468 33.372 7.841 1.00 0.00 C ATOM 573 CG GLU A 35 1.393 33.368 6.324 1.00 0.00 C ATOM 574 CD GLU A 35 -0.028 33.249 5.810 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.933 33.854 6.420 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.235 32.550 4.795 1.00 0.00 O ATOM 0 H GLU A 35 1.536 35.981 6.897 1.00 0.00 H new ATOM 0 HA GLU A 35 1.957 34.642 9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.056 32.515 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.464 33.244 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.839 34.286 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.986 32.539 5.937 1.00 0.00 H new ATOM 583 N ARG A 36 4.396 34.571 9.140 1.00 0.00 N ATOM 584 CA ARG A 36 5.844 34.603 8.973 1.00 0.00 C ATOM 585 C ARG A 36 6.484 33.332 9.525 1.00 0.00 C ATOM 586 O ARG A 36 6.004 32.757 10.503 1.00 0.00 O ATOM 587 CB ARG A 36 6.433 35.829 9.674 1.00 0.00 C ATOM 588 CG ARG A 36 5.670 37.113 9.397 1.00 0.00 C ATOM 589 CD ARG A 36 6.611 38.258 9.054 1.00 0.00 C ATOM 590 NE ARG A 36 6.987 38.253 7.643 1.00 0.00 N ATOM 591 CZ ARG A 36 7.573 39.278 7.035 1.00 0.00 C ATOM 592 NH1 ARG A 36 7.848 40.385 7.711 1.00 0.00 N ATOM 593 NH2 ARG A 36 7.885 39.198 5.748 1.00 0.00 N ATOM 0 H ARG A 36 4.085 34.445 10.103 1.00 0.00 H new ATOM 0 HA ARG A 36 6.060 34.664 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.448 35.650 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.468 35.956 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.974 36.953 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.075 37.379 10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.132 39.206 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.508 38.186 9.669 1.00 0.00 H new ATOM 0 HE ARG A 36 6.789 37.416 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.609 40.451 8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.298 41.171 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.675 38.348 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.335 39.986 5.282 1.00 0.00 H new ATOM 607 N LEU A 37 7.568 32.898 8.892 1.00 0.00 N ATOM 608 CA LEU A 37 8.273 31.695 9.319 1.00 0.00 C ATOM 609 C LEU A 37 9.053 31.948 10.605 1.00 0.00 C ATOM 610 O LEU A 37 10.050 32.670 10.607 1.00 0.00 O ATOM 611 CB LEU A 37 9.224 31.220 8.219 1.00 0.00 C ATOM 612 CG LEU A 37 9.885 29.859 8.444 1.00 0.00 C ATOM 613 CD1 LEU A 37 9.058 28.753 7.807 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.302 29.856 7.889 1.00 0.00 C ATOM 0 H LEU A 37 7.978 33.361 8.081 1.00 0.00 H new ATOM 0 HA LEU A 37 7.532 30.919 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.671 31.182 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.009 31.967 8.097 1.00 0.00 H new ATOM 0 HG LEU A 37 9.937 29.674 9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.543 27.792 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.063 28.741 8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.974 28.933 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.757 28.880 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.274 30.063 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.891 30.623 8.392 1.00 0.00 H new ATOM 626 N ALA A 38 8.592 31.348 11.698 1.00 0.00 N ATOM 627 CA ALA A 38 9.248 31.506 12.990 1.00 0.00 C ATOM 628 C ALA A 38 9.936 30.213 13.417 1.00 0.00 C ATOM 629 O ALA A 38 9.350 29.134 13.343 1.00 0.00 O ATOM 630 CB ALA A 38 8.241 31.943 14.044 1.00 0.00 C ATOM 0 H ALA A 38 7.767 30.748 11.714 1.00 0.00 H new ATOM 0 HA ALA A 38 10.011 32.278 12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.745 32.057 15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.798 32.895 13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.458 31.190 14.133 1.00 0.00 H new ATOM 636 N GLU A 39 11.183 30.332 13.864 1.00 0.00 N ATOM 637 CA GLU A 39 11.950 29.171 14.301 1.00 0.00 C ATOM 638 C GLU A 39 11.941 29.055 15.823 1.00 0.00 C ATOM 639 O GLU A 39 12.199 30.028 16.532 1.00 0.00 O ATOM 640 CB GLU A 39 13.391 29.265 13.794 1.00 0.00 C ATOM 641 CG GLU A 39 14.313 28.212 14.387 1.00 0.00 C ATOM 642 CD GLU A 39 15.620 28.089 13.627 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.204 29.135 13.275 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.059 26.945 13.386 1.00 0.00 O ATOM 0 H GLU A 39 11.682 31.219 13.933 1.00 0.00 H new ATOM 0 HA GLU A 39 11.482 28.279 13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.393 29.168 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.786 30.254 14.026 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.523 28.462 15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.805 27.248 14.388 1.00 0.00 H new ATOM 651 N ILE A 40 11.641 27.858 16.317 1.00 0.00 N ATOM 652 CA ILE A 40 11.599 27.614 17.753 1.00 0.00 C ATOM 653 C ILE A 40 12.988 27.727 18.371 1.00 0.00 C ATOM 654 O ILE A 40 13.982 27.310 17.774 1.00 0.00 O ATOM 655 CB ILE A 40 11.020 26.223 18.071 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.631 26.070 17.447 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.957 26.007 19.576 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.592 26.987 18.053 1.00 0.00 C ATOM 0 H ILE A 40 11.424 27.043 15.744 1.00 0.00 H new ATOM 0 HA ILE A 40 10.949 28.376 18.183 1.00 0.00 H new ATOM 0 HB ILE A 40 11.676 25.466 17.642 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.698 26.268 16.377 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.302 25.037 17.560 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.546 25.019 19.785 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.960 26.078 19.996 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.320 26.768 20.026 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.632 26.824 17.562 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.496 26.775 19.118 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.898 28.024 17.916 1.00 0.00 H new ATOM 670 N LEU A 41 13.051 28.292 19.572 1.00 0.00 N ATOM 671 CA LEU A 41 14.320 28.459 20.274 1.00 0.00 C ATOM 672 C LEU A 41 14.316 27.693 21.593 1.00 0.00 C ATOM 673 O LEU A 41 15.355 27.213 22.046 1.00 0.00 O ATOM 674 CB LEU A 41 14.591 29.942 20.532 1.00 0.00 C ATOM 675 CG LEU A 41 15.082 30.753 19.332 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.301 32.206 19.724 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.362 30.152 18.769 1.00 0.00 C ATOM 0 H LEU A 41 12.239 28.642 20.080 1.00 0.00 H new ATOM 0 HA LEU A 41 15.113 28.056 19.644 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.674 30.399 20.903 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.332 30.022 21.327 1.00 0.00 H new ATOM 0 HG LEU A 41 14.317 30.718 18.557 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.650 32.768 18.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.363 32.632 20.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.047 32.260 20.517 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.696 30.742 17.916 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.135 30.156 19.538 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.173 29.127 18.449 1.00 0.00 H new ATOM 689 N SER A 42 13.141 27.582 22.204 1.00 0.00 N ATOM 690 CA SER A 42 13.003 26.875 23.472 1.00 0.00 C ATOM 691 C SER A 42 11.532 26.663 23.818 1.00 0.00 C ATOM 692 O SER A 42 10.652 27.330 23.272 1.00 0.00 O ATOM 693 CB SER A 42 13.694 27.655 24.592 1.00 0.00 C ATOM 694 OG SER A 42 14.549 26.814 25.346 1.00 0.00 O ATOM 0 H SER A 42 12.271 27.972 21.842 1.00 0.00 H new ATOM 0 HA SER A 42 13.479 25.900 23.370 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.270 28.476 24.166 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.944 28.098 25.247 1.00 0.00 H new ATOM 0 HG SER A 42 14.980 27.336 26.054 1.00 0.00 H new ATOM 700 N ILE A 43 11.274 25.729 24.727 1.00 0.00 N ATOM 701 CA ILE A 43 9.911 25.429 25.147 1.00 0.00 C ATOM 702 C ILE A 43 9.751 25.593 26.654 1.00 0.00 C ATOM 703 O ILE A 43 10.586 25.132 27.431 1.00 0.00 O ATOM 704 CB ILE A 43 9.502 23.997 24.751 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.590 23.819 23.234 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.096 23.692 25.246 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.539 22.721 22.808 1.00 0.00 C ATOM 0 H ILE A 43 11.991 25.167 25.187 1.00 0.00 H new ATOM 0 HA ILE A 43 9.260 26.139 24.636 1.00 0.00 H new ATOM 0 HB ILE A 43 10.191 23.295 25.220 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.596 23.600 22.844 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.910 24.759 22.784 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.821 22.677 24.959 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.065 23.783 26.332 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.393 24.397 24.803 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.551 22.652 21.720 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.543 22.948 23.168 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.209 21.771 23.228 1.00 0.00 H new ATOM 719 N ASN A 44 8.670 26.251 27.061 1.00 0.00 N ATOM 720 CA ASN A 44 8.400 26.476 28.476 1.00 0.00 C ATOM 721 C ASN A 44 7.007 25.976 28.850 1.00 0.00 C ATOM 722 O ASN A 44 6.003 26.632 28.568 1.00 0.00 O ATOM 723 CB ASN A 44 8.528 27.963 28.812 1.00 0.00 C ATOM 724 CG ASN A 44 8.208 28.257 30.265 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.911 27.808 31.170 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.141 29.015 30.494 1.00 0.00 N ATOM 0 H ASN A 44 7.967 26.637 26.431 1.00 0.00 H new ATOM 0 HA ASN A 44 9.135 25.916 29.054 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.542 28.297 28.591 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.857 28.536 28.172 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.876 29.246 31.451 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.587 29.365 29.712 1.00 0.00 H new ATOM 733 N THR A 45 6.953 24.811 29.486 1.00 0.00 N ATOM 734 CA THR A 45 5.685 24.223 29.898 1.00 0.00 C ATOM 735 C THR A 45 5.414 24.478 31.376 1.00 0.00 C ATOM 736 O THR A 45 5.364 23.545 32.178 1.00 0.00 O ATOM 737 CB THR A 45 5.659 22.705 29.638 1.00 0.00 C ATOM 738 OG1 THR A 45 6.749 22.072 30.317 1.00 0.00 O ATOM 739 CG2 THR A 45 5.743 22.409 28.148 1.00 0.00 C ATOM 0 H THR A 45 7.774 24.255 29.727 1.00 0.00 H new ATOM 0 HA THR A 45 4.907 24.700 29.302 1.00 0.00 H new ATOM 0 HB THR A 45 4.717 22.311 30.018 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.651 22.201 31.284 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.723 21.331 27.990 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.895 22.867 27.638 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.671 22.817 27.748 1.00 0.00 H new ATOM 747 N ARG A 46 5.239 25.747 31.730 1.00 0.00 N ATOM 748 CA ARG A 46 4.974 26.125 33.113 1.00 0.00 C ATOM 749 C ARG A 46 3.622 26.821 33.237 1.00 0.00 C ATOM 750 O ARG A 46 3.298 27.392 34.278 1.00 0.00 O ATOM 751 CB ARG A 46 6.081 27.043 33.635 1.00 0.00 C ATOM 752 CG ARG A 46 7.324 26.298 34.094 1.00 0.00 C ATOM 753 CD ARG A 46 7.240 25.930 35.567 1.00 0.00 C ATOM 754 NE ARG A 46 7.684 27.021 36.430 1.00 0.00 N ATOM 755 CZ ARG A 46 7.664 26.964 37.757 1.00 0.00 C ATOM 756 NH1 ARG A 46 7.225 25.874 38.370 1.00 0.00 N ATOM 757 NH2 ARG A 46 8.085 27.999 38.474 1.00 0.00 N ATOM 0 H ARG A 46 5.276 26.531 31.078 1.00 0.00 H new ATOM 0 HA ARG A 46 4.952 25.216 33.713 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.358 27.746 32.850 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.692 27.631 34.467 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.448 25.394 33.498 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.205 26.917 33.922 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.212 25.666 35.817 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.851 25.047 35.755 1.00 0.00 H new ATOM 0 HE ARG A 46 8.029 27.874 35.990 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.902 25.076 37.823 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.211 25.833 39.389 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.424 28.839 38.006 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.069 27.954 39.493 1.00 0.00 H new ATOM 771 N LYS A 47 2.835 26.769 32.167 1.00 0.00 N ATOM 772 CA LYS A 47 1.518 27.393 32.154 1.00 0.00 C ATOM 773 C LYS A 47 0.506 26.512 31.429 1.00 0.00 C ATOM 774 O LYS A 47 0.857 25.464 30.888 1.00 0.00 O ATOM 775 CB LYS A 47 1.587 28.767 31.484 1.00 0.00 C ATOM 776 CG LYS A 47 0.610 29.776 32.062 1.00 0.00 C ATOM 777 CD LYS A 47 1.093 31.201 31.855 1.00 0.00 C ATOM 778 CE LYS A 47 0.681 31.737 30.492 1.00 0.00 C ATOM 779 NZ LYS A 47 0.652 33.226 30.468 1.00 0.00 N ATOM 0 H LYS A 47 3.088 26.300 31.297 1.00 0.00 H new ATOM 0 HA LYS A 47 1.192 27.516 33.187 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.600 29.158 31.580 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.390 28.652 30.418 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.365 29.650 31.592 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.478 29.587 33.127 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.686 31.842 32.637 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.179 31.235 31.948 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.376 31.375 29.734 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.304 31.350 30.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.517 33.555 29.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.132 33.568 31.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.551 33.597 30.837 1.00 0.00 H new ATOM 793 N ALA A 48 -0.751 26.945 31.420 1.00 0.00 N ATOM 794 CA ALA A 48 -1.812 26.198 30.757 1.00 0.00 C ATOM 795 C ALA A 48 -2.772 27.134 30.031 1.00 0.00 C ATOM 796 O ALA A 48 -3.610 27.798 30.640 1.00 0.00 O ATOM 797 CB ALA A 48 -2.567 25.345 31.767 1.00 0.00 C ATOM 0 H ALA A 48 -1.059 27.810 31.865 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.353 25.544 30.015 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.357 24.792 31.258 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.878 24.643 32.238 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.007 25.988 32.529 1.00 0.00 H new ATOM 803 N PRO A 49 -2.648 27.190 28.696 1.00 0.00 N ATOM 804 CA PRO A 49 -1.653 26.405 27.960 1.00 0.00 C ATOM 805 C PRO A 49 -0.229 26.891 28.211 1.00 0.00 C ATOM 806 O PRO A 49 -0.003 27.985 28.727 1.00 0.00 O ATOM 807 CB PRO A 49 -2.042 26.624 26.496 1.00 0.00 C ATOM 808 CG PRO A 49 -2.754 27.932 26.484 1.00 0.00 C ATOM 809 CD PRO A 49 -3.468 28.026 27.804 1.00 0.00 C ATOM 0 HA PRO A 49 -1.653 25.358 28.264 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.163 26.646 25.852 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.683 25.821 26.133 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.053 28.757 26.360 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.459 27.985 25.654 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.525 29.055 28.158 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.491 27.656 27.735 1.00 0.00 H new ATOM 817 N PRO A 50 0.755 26.059 27.838 1.00 0.00 N ATOM 818 CA PRO A 50 2.174 26.383 28.012 1.00 0.00 C ATOM 819 C PRO A 50 2.632 27.500 27.081 1.00 0.00 C ATOM 820 O PRO A 50 1.838 28.052 26.319 1.00 0.00 O ATOM 821 CB PRO A 50 2.883 25.072 27.664 1.00 0.00 C ATOM 822 CG PRO A 50 1.939 24.361 26.757 1.00 0.00 C ATOM 823 CD PRO A 50 0.558 24.738 27.217 1.00 0.00 C ATOM 0 HA PRO A 50 2.389 26.745 29.017 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.839 25.257 27.174 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.091 24.485 28.558 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.098 24.655 25.720 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.086 23.282 26.809 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.144 24.786 26.384 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.160 24.015 27.929 1.00 0.00 H new ATOM 831 N LYS A 51 3.917 27.829 27.147 1.00 0.00 N ATOM 832 CA LYS A 51 4.483 28.880 26.308 1.00 0.00 C ATOM 833 C LYS A 51 5.682 28.361 25.521 1.00 0.00 C ATOM 834 O LYS A 51 6.306 27.371 25.903 1.00 0.00 O ATOM 835 CB LYS A 51 4.901 30.076 27.166 1.00 0.00 C ATOM 836 CG LYS A 51 3.759 31.025 27.484 1.00 0.00 C ATOM 837 CD LYS A 51 4.248 32.257 28.228 1.00 0.00 C ATOM 838 CE LYS A 51 3.182 33.341 28.271 1.00 0.00 C ATOM 839 NZ LYS A 51 3.456 34.347 29.335 1.00 0.00 N ATOM 0 H LYS A 51 4.587 27.383 27.773 1.00 0.00 H new ATOM 0 HA LYS A 51 3.717 29.198 25.601 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.329 29.711 28.099 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.687 30.627 26.649 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.269 31.328 26.559 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.012 30.508 28.086 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.530 31.982 29.244 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.144 32.645 27.743 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.133 33.840 27.303 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.207 32.885 28.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.707 35.069 29.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.478 33.875 30.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.374 34.801 29.156 1.00 0.00 H new ATOM 853 N PHE A 52 6.000 29.037 24.423 1.00 0.00 N ATOM 854 CA PHE A 52 7.126 28.645 23.582 1.00 0.00 C ATOM 855 C PHE A 52 7.891 29.870 23.090 1.00 0.00 C ATOM 856 O PHE A 52 7.315 30.943 22.910 1.00 0.00 O ATOM 857 CB PHE A 52 6.636 27.822 22.389 1.00 0.00 C ATOM 858 CG PHE A 52 5.864 26.595 22.782 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.537 26.689 23.169 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.467 25.347 22.766 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.824 25.562 23.531 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.759 24.217 23.127 1.00 0.00 C ATOM 863 CZ PHE A 52 4.436 24.324 23.511 1.00 0.00 C ATOM 0 H PHE A 52 5.494 29.859 24.094 1.00 0.00 H new ATOM 0 HA PHE A 52 7.801 28.035 24.183 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.007 28.450 21.758 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.494 27.524 21.787 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.054 27.655 23.188 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.501 25.257 22.468 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.790 25.649 23.829 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.240 23.250 23.109 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.882 23.442 23.795 1.00 0.00 H new ATOM 873 N TYR A 53 9.191 29.702 22.877 1.00 0.00 N ATOM 874 CA TYR A 53 10.036 30.793 22.409 1.00 0.00 C ATOM 875 C TYR A 53 10.277 30.690 20.906 1.00 0.00 C ATOM 876 O TYR A 53 10.857 29.717 20.423 1.00 0.00 O ATOM 877 CB TYR A 53 11.373 30.786 23.153 1.00 0.00 C ATOM 878 CG TYR A 53 12.032 32.145 23.226 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.319 33.263 23.642 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.367 32.311 22.879 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.917 34.506 23.711 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.973 33.551 22.946 1.00 0.00 C ATOM 883 CZ TYR A 53 13.244 34.645 23.362 1.00 0.00 C ATOM 884 OH TYR A 53 13.844 35.882 23.428 1.00 0.00 O ATOM 0 H TYR A 53 9.683 28.820 23.021 1.00 0.00 H new ATOM 0 HA TYR A 53 9.520 31.731 22.612 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.214 30.414 24.165 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.050 30.089 22.659 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.280 33.158 23.916 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.941 31.457 22.551 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.348 35.365 24.037 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.012 33.663 22.674 1.00 0.00 H new ATOM 0 HH TYR A 53 14.656 35.881 22.880 1.00 0.00 H new ATOM 894 N VAL A 54 9.828 31.703 20.170 1.00 0.00 N ATOM 895 CA VAL A 54 9.996 31.729 18.722 1.00 0.00 C ATOM 896 C VAL A 54 10.892 32.885 18.293 1.00 0.00 C ATOM 897 O VAL A 54 11.007 33.889 18.996 1.00 0.00 O ATOM 898 CB VAL A 54 8.640 31.850 18.002 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.856 30.552 18.116 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.841 33.016 18.566 1.00 0.00 C ATOM 0 H VAL A 54 9.345 32.516 20.553 1.00 0.00 H new ATOM 0 HA VAL A 54 10.465 30.786 18.441 1.00 0.00 H new ATOM 0 HB VAL A 54 8.825 32.042 16.945 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.901 30.657 17.601 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.426 29.742 17.661 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.678 30.325 19.167 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.886 33.088 18.046 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.664 32.855 19.630 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.400 33.941 18.427 1.00 0.00 H new ATOM 910 N HIS A 55 11.526 32.737 17.134 1.00 0.00 N ATOM 911 CA HIS A 55 12.413 33.770 16.610 1.00 0.00 C ATOM 912 C HIS A 55 12.200 33.959 15.111 1.00 0.00 C ATOM 913 O HIS A 55 12.368 33.024 14.328 1.00 0.00 O ATOM 914 CB HIS A 55 13.872 33.408 16.889 1.00 0.00 C ATOM 915 CG HIS A 55 14.847 34.146 16.024 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.742 35.494 15.752 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.951 33.717 15.369 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.739 35.861 14.967 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.487 34.801 14.720 1.00 0.00 N ATOM 0 H HIS A 55 11.442 31.912 16.540 1.00 0.00 H new ATOM 0 HA HIS A 55 12.177 34.708 17.113 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.096 33.617 17.935 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.007 32.336 16.742 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.338 32.709 15.359 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.913 36.858 14.591 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.327 34.790 14.141 1.00 0.00 H new ATOM 927 N TYR A 56 11.829 35.173 14.720 1.00 0.00 N ATOM 928 CA TYR A 56 11.590 35.483 13.315 1.00 0.00 C ATOM 929 C TYR A 56 12.894 35.458 12.523 1.00 0.00 C ATOM 930 O TYR A 56 13.734 36.348 12.658 1.00 0.00 O ATOM 931 CB TYR A 56 10.925 36.853 13.180 1.00 0.00 C ATOM 932 CG TYR A 56 9.624 36.972 13.942 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.613 37.331 15.285 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.406 36.727 13.319 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.427 37.440 15.985 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.216 36.836 14.011 1.00 0.00 C ATOM 937 CZ TYR A 56 7.231 37.191 15.344 1.00 0.00 C ATOM 938 OH TYR A 56 6.047 37.300 16.037 1.00 0.00 O ATOM 0 H TYR A 56 11.687 35.958 15.355 1.00 0.00 H new ATOM 0 HA TYR A 56 10.924 34.722 12.909 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.615 37.619 13.534 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.738 37.055 12.125 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.547 37.528 15.790 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.390 36.447 12.276 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.436 37.719 17.028 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.278 36.644 13.511 1.00 0.00 H new ATOM 0 HH TYR A 56 6.232 37.320 16.999 1.00 0.00 H new ATOM 948 N VAL A 57 13.055 34.432 11.694 1.00 0.00 N ATOM 949 CA VAL A 57 14.254 34.290 10.877 1.00 0.00 C ATOM 950 C VAL A 57 14.414 35.470 9.925 1.00 0.00 C ATOM 951 O VAL A 57 15.529 35.841 9.561 1.00 0.00 O ATOM 952 CB VAL A 57 14.225 32.985 10.059 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.523 32.811 9.285 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.973 31.792 10.968 1.00 0.00 C ATOM 0 H VAL A 57 12.370 33.687 11.570 1.00 0.00 H new ATOM 0 HA VAL A 57 15.102 34.262 11.562 1.00 0.00 H new ATOM 0 HB VAL A 57 13.407 33.045 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.484 31.884 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.656 33.652 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.360 32.772 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.956 30.879 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.768 31.726 11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.014 31.915 11.472 1.00 0.00 H new ATOM 964 N ASN A 58 13.290 36.057 9.526 1.00 0.00 N ATOM 965 CA ASN A 58 13.305 37.196 8.615 1.00 0.00 C ATOM 966 C ASN A 58 13.799 38.453 9.325 1.00 0.00 C ATOM 967 O ASN A 58 14.301 39.381 8.689 1.00 0.00 O ATOM 968 CB ASN A 58 11.906 37.437 8.044 1.00 0.00 C ATOM 969 CG ASN A 58 11.361 36.221 7.319 1.00 0.00 C ATOM 970 OD1 ASN A 58 10.242 35.779 7.580 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.152 35.675 6.403 1.00 0.00 N ATOM 0 H ASN A 58 12.358 35.763 9.819 1.00 0.00 H new ATOM 0 HA ASN A 58 13.990 36.968 7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.228 37.709 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.937 38.283 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.840 34.855 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.072 36.075 6.220 1.00 0.00 H new ATOM 978 N TYR A 59 13.655 38.476 10.645 1.00 0.00 N ATOM 979 CA TYR A 59 14.085 39.619 11.441 1.00 0.00 C ATOM 980 C TYR A 59 15.289 39.258 12.306 1.00 0.00 C ATOM 981 O TYR A 59 15.821 38.153 12.219 1.00 0.00 O ATOM 982 CB TYR A 59 12.938 40.113 12.324 1.00 0.00 C ATOM 983 CG TYR A 59 11.801 40.738 11.547 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.030 41.792 10.671 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.499 40.276 11.689 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.995 42.367 9.960 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.458 40.844 10.981 1.00 0.00 C ATOM 988 CZ TYR A 59 9.711 41.889 10.118 1.00 0.00 C ATOM 989 OH TYR A 59 8.677 42.458 9.411 1.00 0.00 O ATOM 0 H TYR A 59 13.244 37.716 11.187 1.00 0.00 H new ATOM 0 HA TYR A 59 14.377 40.416 10.758 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.552 39.276 12.906 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.326 40.843 13.034 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.034 42.168 10.544 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.297 39.458 12.365 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.190 43.186 9.284 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.452 40.472 11.103 1.00 0.00 H new ATOM 0 HH TYR A 59 9.015 42.803 8.558 1.00 0.00 H new ATOM 999 N ASN A 60 15.712 40.201 13.142 1.00 0.00 N ATOM 1000 CA ASN A 60 16.853 39.984 14.024 1.00 0.00 C ATOM 1001 C ASN A 60 16.440 39.197 15.264 1.00 0.00 C ATOM 1002 O ASN A 60 15.256 38.942 15.486 1.00 0.00 O ATOM 1003 CB ASN A 60 17.467 41.323 14.437 1.00 0.00 C ATOM 1004 CG ASN A 60 18.410 41.876 13.386 1.00 0.00 C ATOM 1005 OD1 ASN A 60 17.980 41.843 12.130 1.00 0.00 O flip ATOM 1006 ND2 ASN A 60 19.511 42.328 13.700 1.00 0.00 N flip ATOM 0 H ASN A 60 15.282 41.122 13.227 1.00 0.00 H new ATOM 0 HA ASN A 60 17.597 39.404 13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.670 42.043 14.621 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.007 41.198 15.376 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.800 42.333 14.678 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.134 42.697 12.982 1.00 0.00 H new ATOM 1013 N LYS A 61 17.425 38.814 16.070 1.00 0.00 N ATOM 1014 CA LYS A 61 17.166 38.058 17.290 1.00 0.00 C ATOM 1015 C LYS A 61 16.433 38.916 18.317 1.00 0.00 C ATOM 1016 O LYS A 61 15.933 38.407 19.320 1.00 0.00 O ATOM 1017 CB LYS A 61 18.479 37.543 17.883 1.00 0.00 C ATOM 1018 CG LYS A 61 19.348 38.636 18.479 1.00 0.00 C ATOM 1019 CD LYS A 61 19.301 38.621 19.998 1.00 0.00 C ATOM 1020 CE LYS A 61 19.504 40.012 20.576 1.00 0.00 C ATOM 1021 NZ LYS A 61 19.686 39.978 22.054 1.00 0.00 N ATOM 0 H LYS A 61 18.410 39.015 15.900 1.00 0.00 H new ATOM 0 HA LYS A 61 16.532 37.209 17.034 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.255 36.807 18.655 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.042 37.027 17.105 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.377 38.506 18.145 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.014 39.607 18.113 1.00 0.00 H new ATOM 0 HD2 LYS A 61 18.341 38.225 20.329 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.071 37.951 20.380 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.376 40.474 20.113 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.645 40.636 20.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.821 40.946 22.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.843 39.561 22.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 20.521 39.403 22.288 1.00 0.00 H new ATOM 1035 N ARG A 62 16.373 40.218 18.058 1.00 0.00 N ATOM 1036 CA ARG A 62 15.701 41.145 18.960 1.00 0.00 C ATOM 1037 C ARG A 62 14.192 41.130 18.732 1.00 0.00 C ATOM 1038 O ARG A 62 13.445 41.849 19.397 1.00 0.00 O ATOM 1039 CB ARG A 62 16.242 42.563 18.765 1.00 0.00 C ATOM 1040 CG ARG A 62 15.800 43.210 17.463 1.00 0.00 C ATOM 1041 CD ARG A 62 16.780 44.281 17.011 1.00 0.00 C ATOM 1042 NE ARG A 62 16.613 45.525 17.759 1.00 0.00 N ATOM 1043 CZ ARG A 62 17.461 46.545 17.686 1.00 0.00 C ATOM 1044 NH1 ARG A 62 18.528 46.470 16.903 1.00 0.00 N ATOM 1045 NH2 ARG A 62 17.241 47.644 18.396 1.00 0.00 N ATOM 0 H ARG A 62 16.781 40.654 17.231 1.00 0.00 H new ATOM 0 HA ARG A 62 15.900 40.824 19.983 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.916 43.185 19.599 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.331 42.535 18.795 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.710 42.448 16.689 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.812 43.651 17.592 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.799 43.916 17.137 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.640 44.475 15.948 1.00 0.00 H new ATOM 0 HE ARG A 62 15.801 45.615 18.370 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.700 45.627 16.354 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.177 47.255 16.849 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.420 47.706 18.998 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.893 48.427 18.339 1.00 0.00 H new ATOM 1059 N LEU A 63 13.751 40.306 17.788 1.00 0.00 N ATOM 1060 CA LEU A 63 12.331 40.197 17.470 1.00 0.00 C ATOM 1061 C LEU A 63 11.714 38.978 18.149 1.00 0.00 C ATOM 1062 O LEU A 63 10.507 38.933 18.387 1.00 0.00 O ATOM 1063 CB LEU A 63 12.132 40.107 15.956 1.00 0.00 C ATOM 1064 CG LEU A 63 11.648 41.383 15.266 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.326 41.843 15.861 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.696 42.481 15.379 1.00 0.00 C ATOM 0 H LEU A 63 14.356 39.704 17.229 1.00 0.00 H new ATOM 0 HA LEU A 63 11.831 41.091 17.843 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.077 39.809 15.502 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.415 39.312 15.750 1.00 0.00 H new ATOM 0 HG LEU A 63 11.491 41.165 14.210 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.997 42.752 15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.576 41.063 15.728 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.456 42.044 16.924 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.335 43.381 14.882 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.884 42.697 16.431 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.621 42.152 14.905 1.00 0.00 H new ATOM 1078 N ASP A 64 12.550 37.994 18.459 1.00 0.00 N ATOM 1079 CA ASP A 64 12.088 36.776 19.114 1.00 0.00 C ATOM 1080 C ASP A 64 11.299 37.104 20.378 1.00 0.00 C ATOM 1081 O ASP A 64 11.405 38.204 20.919 1.00 0.00 O ATOM 1082 CB ASP A 64 13.274 35.874 19.458 1.00 0.00 C ATOM 1083 CG ASP A 64 14.146 36.458 20.552 1.00 0.00 C ATOM 1084 OD1 ASP A 64 13.988 37.657 20.861 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.987 35.715 21.100 1.00 0.00 O ATOM 0 H ASP A 64 13.552 38.016 18.267 1.00 0.00 H new ATOM 0 HA ASP A 64 11.430 36.249 18.423 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.905 34.898 19.773 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.876 35.714 18.564 1.00 0.00 H new ATOM 1090 N GLU A 65 10.506 36.142 20.841 1.00 0.00 N ATOM 1091 CA GLU A 65 9.698 36.330 22.040 1.00 0.00 C ATOM 1092 C GLU A 65 8.992 35.035 22.430 1.00 0.00 C ATOM 1093 O GLU A 65 9.161 34.004 21.779 1.00 0.00 O ATOM 1094 CB GLU A 65 8.667 37.439 21.818 1.00 0.00 C ATOM 1095 CG GLU A 65 7.898 37.302 20.515 1.00 0.00 C ATOM 1096 CD GLU A 65 6.989 38.486 20.248 1.00 0.00 C ATOM 1097 OE1 GLU A 65 7.366 39.619 20.613 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.899 38.279 19.673 1.00 0.00 O ATOM 0 H GLU A 65 10.406 35.226 20.404 1.00 0.00 H new ATOM 0 HA GLU A 65 10.363 36.619 22.853 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.961 37.439 22.649 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.175 38.404 21.831 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.603 37.197 19.690 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.302 36.390 20.543 1.00 0.00 H new ATOM 1105 N TRP A 66 8.202 35.096 23.495 1.00 0.00 N ATOM 1106 CA TRP A 66 7.470 33.928 23.972 1.00 0.00 C ATOM 1107 C TRP A 66 6.018 33.968 23.509 1.00 0.00 C ATOM 1108 O TRP A 66 5.219 34.758 24.012 1.00 0.00 O ATOM 1109 CB TRP A 66 7.530 33.852 25.499 1.00 0.00 C ATOM 1110 CG TRP A 66 8.927 33.774 26.036 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.784 34.817 26.245 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.629 32.590 26.429 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.976 34.353 26.745 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.907 32.990 26.868 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.303 31.232 26.456 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.855 32.079 27.326 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.245 30.329 26.910 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.508 30.755 27.341 1.00 0.00 C ATOM 0 H TRP A 66 8.051 35.942 24.045 1.00 0.00 H new ATOM 0 HA TRP A 66 7.940 33.039 23.552 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.036 34.728 25.919 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.970 32.979 25.834 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.557 35.854 26.046 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.782 34.930 26.986 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.331 30.894 26.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.830 32.405 27.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.003 29.277 26.933 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.222 30.025 27.692 1.00 0.00 H new ATOM 1129 N ILE A 67 5.684 33.113 22.549 1.00 0.00 N ATOM 1130 CA ILE A 67 4.327 33.051 22.020 1.00 0.00 C ATOM 1131 C ILE A 67 3.558 31.876 22.614 1.00 0.00 C ATOM 1132 O ILE A 67 4.151 30.940 23.152 1.00 0.00 O ATOM 1133 CB ILE A 67 4.327 32.926 20.485 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.074 31.662 20.054 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.954 34.160 19.853 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.779 31.242 18.631 1.00 0.00 C ATOM 0 H ILE A 67 6.334 32.454 22.121 1.00 0.00 H new ATOM 0 HA ILE A 67 3.836 33.983 22.301 1.00 0.00 H new ATOM 0 HB ILE A 67 3.295 32.850 20.142 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.146 31.829 20.160 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.810 30.846 20.727 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.947 34.057 18.768 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.383 35.044 20.137 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.982 34.264 20.201 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.342 30.340 18.394 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.713 31.043 18.524 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.069 32.041 17.948 1.00 0.00 H new ATOM 1148 N THR A 68 2.234 31.931 22.514 1.00 0.00 N ATOM 1149 CA THR A 68 1.383 30.872 23.041 1.00 0.00 C ATOM 1150 C THR A 68 0.800 30.024 21.916 1.00 0.00 C ATOM 1151 O THR A 68 0.991 30.322 20.736 1.00 0.00 O ATOM 1152 CB THR A 68 0.230 31.445 23.886 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.123 32.750 23.413 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.622 31.522 25.354 1.00 0.00 C ATOM 0 H THR A 68 1.727 32.698 22.072 1.00 0.00 H new ATOM 0 HA THR A 68 2.013 30.248 23.675 1.00 0.00 H new ATOM 0 HB THR A 68 -0.628 30.779 23.789 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.858 33.106 23.954 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.208 31.930 25.931 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.862 30.524 25.719 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.493 32.168 25.465 1.00 0.00 H new ATOM 1162 N THR A 69 0.086 28.966 22.287 1.00 0.00 N ATOM 1163 CA THR A 69 -0.526 28.075 21.309 1.00 0.00 C ATOM 1164 C THR A 69 -1.408 28.849 20.336 1.00 0.00 C ATOM 1165 O THR A 69 -1.363 28.621 19.127 1.00 0.00 O ATOM 1166 CB THR A 69 -1.370 26.984 21.994 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.453 27.583 22.714 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.518 26.157 22.945 1.00 0.00 C ATOM 0 H THR A 69 -0.083 28.705 23.259 1.00 0.00 H new ATOM 0 HA THR A 69 0.288 27.602 20.759 1.00 0.00 H new ATOM 0 HB THR A 69 -1.767 26.325 21.222 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.986 26.883 23.145 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.136 25.393 23.417 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.288 25.679 22.389 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.095 26.806 23.712 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.209 29.764 20.871 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.101 30.573 20.049 1.00 0.00 C ATOM 1178 C ASP A 70 -2.307 31.449 19.085 1.00 0.00 C ATOM 1179 O ASP A 70 -2.854 31.979 18.117 1.00 0.00 O ATOM 1180 CB ASP A 70 -3.993 31.446 20.933 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.096 30.652 21.605 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.716 29.805 20.927 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.339 30.877 22.809 1.00 0.00 O ATOM 0 H ASP A 70 -2.259 29.964 21.870 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.728 29.899 19.466 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.382 31.930 21.695 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.436 32.238 20.328 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.014 31.597 19.356 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.145 32.411 18.515 1.00 0.00 C ATOM 1190 C ARG A 71 0.657 31.536 17.555 1.00 0.00 C ATOM 1191 O ARG A 71 1.652 31.979 16.981 1.00 0.00 O ATOM 1192 CB ARG A 71 0.805 33.243 19.379 1.00 0.00 C ATOM 1193 CG ARG A 71 0.102 34.306 20.207 1.00 0.00 C ATOM 1194 CD ARG A 71 1.042 35.446 20.563 1.00 0.00 C ATOM 1195 NE ARG A 71 0.408 36.423 21.446 1.00 0.00 N ATOM 1196 CZ ARG A 71 1.041 37.476 21.950 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.317 37.689 21.661 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.396 38.320 22.746 1.00 0.00 N ATOM 0 H ARG A 71 -0.545 31.164 20.152 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.773 33.082 17.929 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.352 32.577 20.047 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.541 33.724 18.735 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.751 34.696 19.652 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.290 33.858 21.120 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.932 35.044 21.047 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.372 35.942 19.650 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.574 36.289 21.688 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.816 37.043 21.050 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.800 38.499 22.050 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.586 38.160 22.971 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.882 39.129 23.133 1.00 0.00 H new ATOM 1212 N ILE A 72 0.217 30.294 17.388 1.00 0.00 N ATOM 1213 CA ILE A 72 0.893 29.358 16.498 1.00 0.00 C ATOM 1214 C ILE A 72 -0.003 28.965 15.329 1.00 0.00 C ATOM 1215 O ILE A 72 -1.200 28.736 15.502 1.00 0.00 O ATOM 1216 CB ILE A 72 1.330 28.085 17.247 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.295 28.439 18.381 1.00 0.00 C ATOM 1218 CG2 ILE A 72 1.975 27.099 16.284 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.465 27.332 19.397 1.00 0.00 C ATOM 0 H ILE A 72 -0.604 29.912 17.857 1.00 0.00 H new ATOM 0 HA ILE A 72 1.778 29.868 16.118 1.00 0.00 H new ATOM 0 HB ILE A 72 0.447 27.615 17.680 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.268 28.684 17.956 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.935 29.334 18.888 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.279 26.205 16.828 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.259 26.827 15.509 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.850 27.559 15.825 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.162 27.653 20.171 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.500 27.102 19.850 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.855 26.442 18.903 1.00 0.00 H new ATOM 1231 N ASN A 73 0.584 28.886 14.140 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.161 28.519 12.942 1.00 0.00 C ATOM 1233 C ASN A 73 0.056 27.049 12.595 1.00 0.00 C ATOM 1234 O ASN A 73 1.123 26.664 12.116 1.00 0.00 O ATOM 1235 CB ASN A 73 0.259 29.400 11.764 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.813 29.487 10.695 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.869 28.864 10.807 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.546 30.262 9.651 1.00 0.00 N ATOM 0 H ASN A 73 1.574 29.071 13.980 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.221 28.674 13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.488 30.402 12.127 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.174 29.003 11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.229 30.359 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.343 30.760 9.600 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.963 26.232 12.840 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.884 24.804 12.553 1.00 0.00 C ATOM 1247 C LEU A 74 -1.483 24.489 11.186 1.00 0.00 C ATOM 1248 O LEU A 74 -1.927 23.368 10.935 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.611 24.006 13.637 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.851 23.811 14.950 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.773 23.249 16.022 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.347 22.896 14.742 1.00 0.00 C ATOM 0 H LEU A 74 -1.853 26.534 13.236 1.00 0.00 H new ATOM 0 HA LEU A 74 0.168 24.518 12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.554 24.506 13.857 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.857 23.024 13.234 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.487 24.783 15.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.215 23.117 16.949 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.599 23.940 16.191 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.167 22.287 15.695 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.876 22.769 15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.005 21.925 14.384 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.019 23.338 14.007 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.492 25.484 10.306 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.033 25.313 8.963 1.00 0.00 C ATOM 1266 C ASP A 75 -0.914 25.088 7.951 1.00 0.00 C ATOM 1267 O ASP A 75 -1.138 24.534 6.875 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.860 26.536 8.564 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.587 26.339 7.248 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.198 25.265 7.064 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -3.545 27.257 6.403 1.00 0.00 O ATOM 0 H ASP A 75 -1.130 26.418 10.499 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.677 24.434 8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.586 26.752 9.348 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.206 27.404 8.488 1.00 0.00 H new ATOM 1276 N LYS A 76 0.291 25.522 8.303 1.00 0.00 N ATOM 1277 CA LYS A 76 1.446 25.368 7.426 1.00 0.00 C ATOM 1278 C LYS A 76 2.297 24.175 7.851 1.00 0.00 C ATOM 1279 O LYS A 76 2.334 23.816 9.028 1.00 0.00 O ATOM 1280 CB LYS A 76 2.294 26.642 7.438 1.00 0.00 C ATOM 1281 CG LYS A 76 1.885 27.655 6.382 1.00 0.00 C ATOM 1282 CD LYS A 76 0.951 28.709 6.953 1.00 0.00 C ATOM 1283 CE LYS A 76 0.875 29.932 6.053 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.116 29.753 4.956 1.00 0.00 N ATOM 0 H LYS A 76 0.494 25.983 9.190 1.00 0.00 H new ATOM 0 HA LYS A 76 1.081 25.190 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.223 27.106 8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.340 26.374 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.774 28.137 5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.394 27.142 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.045 28.285 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.297 29.005 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.604 30.804 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.858 30.130 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.416 30.684 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.318 29.213 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.944 29.237 5.317 1.00 0.00 H new ATOM 1298 N GLU A 77 2.979 23.567 6.886 1.00 0.00 N ATOM 1299 CA GLU A 77 3.829 22.415 7.162 1.00 0.00 C ATOM 1300 C GLU A 77 4.930 22.777 8.155 1.00 0.00 C ATOM 1301 O GLU A 77 5.437 23.899 8.155 1.00 0.00 O ATOM 1302 CB GLU A 77 4.449 21.888 5.866 1.00 0.00 C ATOM 1303 CG GLU A 77 3.423 21.490 4.818 1.00 0.00 C ATOM 1304 CD GLU A 77 3.964 21.588 3.405 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.793 22.486 3.149 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.558 20.768 2.555 1.00 0.00 O ATOM 0 H GLU A 77 2.960 23.853 5.907 1.00 0.00 H new ATOM 0 HA GLU A 77 3.208 21.635 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.104 22.653 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.074 21.025 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.094 20.468 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.546 22.130 4.912 1.00 0.00 H new ATOM 1313 N VAL A 78 5.295 21.818 9.000 1.00 0.00 N ATOM 1314 CA VAL A 78 6.336 22.034 9.998 1.00 0.00 C ATOM 1315 C VAL A 78 7.666 21.447 9.541 1.00 0.00 C ATOM 1316 O VAL A 78 7.712 20.356 8.971 1.00 0.00 O ATOM 1317 CB VAL A 78 5.951 21.413 11.354 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.093 21.553 12.349 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.682 22.055 11.893 1.00 0.00 C ATOM 0 H VAL A 78 4.885 20.884 9.013 1.00 0.00 H new ATOM 0 HA VAL A 78 6.441 23.112 10.118 1.00 0.00 H new ATOM 0 HB VAL A 78 5.758 20.350 11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.803 21.109 13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.976 21.042 11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.320 22.609 12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.425 21.604 12.851 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.844 23.125 12.027 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.866 21.897 11.187 1.00 0.00 H new ATOM 1329 N LEU A 79 8.747 22.176 9.795 1.00 0.00 N ATOM 1330 CA LEU A 79 10.081 21.727 9.410 1.00 0.00 C ATOM 1331 C LEU A 79 10.817 21.123 10.601 1.00 0.00 C ATOM 1332 O LEU A 79 10.950 21.757 11.648 1.00 0.00 O ATOM 1333 CB LEU A 79 10.887 22.893 8.836 1.00 0.00 C ATOM 1334 CG LEU A 79 10.418 23.432 7.484 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.339 24.544 7.004 1.00 0.00 C ATOM 1336 CD2 LEU A 79 10.353 22.311 6.457 1.00 0.00 C ATOM 0 H LEU A 79 8.726 23.081 10.266 1.00 0.00 H new ATOM 0 HA LEU A 79 9.972 20.958 8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.869 23.711 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.926 22.577 8.738 1.00 0.00 H new ATOM 0 HG LEU A 79 9.417 23.845 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.990 24.915 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.336 25.358 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.352 24.157 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.017 22.713 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.342 21.869 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.653 21.547 6.796 1.00 0.00 H new ATOM 1348 N TYR A 80 11.294 19.894 10.434 1.00 0.00 N ATOM 1349 CA TYR A 80 12.017 19.204 11.496 1.00 0.00 C ATOM 1350 C TYR A 80 13.491 19.047 11.138 1.00 0.00 C ATOM 1351 O TYR A 80 13.885 19.121 9.974 1.00 0.00 O ATOM 1352 CB TYR A 80 11.394 17.831 11.756 1.00 0.00 C ATOM 1353 CG TYR A 80 10.191 17.876 12.671 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.912 18.064 12.160 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.332 17.731 14.045 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.810 18.106 12.991 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.235 17.770 14.884 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.976 17.958 14.352 1.00 0.00 C ATOM 1359 OH TYR A 80 6.881 17.999 15.185 1.00 0.00 O ATOM 0 H TYR A 80 11.193 19.355 9.574 1.00 0.00 H new ATOM 0 HA TYR A 80 11.944 19.806 12.402 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.100 17.389 10.804 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.148 17.176 12.193 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.778 18.179 11.095 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.316 17.585 14.465 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.823 18.254 12.577 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.362 17.654 15.950 1.00 0.00 H new ATOM 0 HH TYR A 80 7.157 18.308 16.073 1.00 0.00 H new ATOM 1369 N PRO A 81 14.327 18.823 12.162 1.00 0.00 N ATOM 1370 CA PRO A 81 15.772 18.649 11.982 1.00 0.00 C ATOM 1371 C PRO A 81 16.115 17.335 11.288 1.00 0.00 C ATOM 1372 O PRO A 81 15.508 16.299 11.561 1.00 0.00 O ATOM 1373 CB PRO A 81 16.311 18.653 13.415 1.00 0.00 C ATOM 1374 CG PRO A 81 15.165 18.202 14.253 1.00 0.00 C ATOM 1375 CD PRO A 81 13.927 18.723 13.576 1.00 0.00 C ATOM 0 HA PRO A 81 16.200 19.426 11.349 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.165 17.983 13.519 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.648 19.647 13.708 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.141 17.115 14.328 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.247 18.590 15.268 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.082 18.047 13.708 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.626 19.691 13.978 1.00 0.00 H new