USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 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 Single : A 13 LYS NZ :NH3+ -117:sc= -0.146 (180deg=-1.01) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= 0 (180deg=-1.95) USER MOD Single : A 16 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0568) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.289 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 0.918 (180deg=0.597) USER MOD Single : A 32 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.31) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0381 K(o=-0.038,f=-2.4!) USER MOD Single : A 45 THR OG1 : rot 61:sc= 0.392 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -158:sc= 0.482 USER MOD Single : A 55 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1) USER MOD Single : A 56 TYR OH : rot 150:sc= -1.15 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,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= -0.0502 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 73 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.8!) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 0.255 (180deg=0.00555) USER MOD Single : A 80 TYR OH : rot -16:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.813 17.717 6.796 1.00 0.00 N ATOM 174 CA ILE A 11 11.590 16.924 6.776 1.00 0.00 C ATOM 175 C ILE A 11 10.360 17.806 6.954 1.00 0.00 C ATOM 176 O ILE A 11 10.259 18.559 7.923 1.00 0.00 O ATOM 177 CB ILE A 11 11.600 15.846 7.876 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.857 14.982 7.764 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.349 14.986 7.785 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.012 15.483 8.601 1.00 0.00 C ATOM 0 HA ILE A 11 11.546 16.437 5.802 1.00 0.00 H new ATOM 0 HB ILE A 11 11.608 16.340 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.615 13.963 8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.167 14.940 6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.370 14.229 8.569 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.466 15.613 7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.312 14.499 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.869 14.822 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.281 16.491 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.721 15.498 9.651 1.00 0.00 H new ATOM 192 N ALA A 12 9.426 17.707 6.014 1.00 0.00 N ATOM 193 CA ALA A 12 8.200 18.493 6.070 1.00 0.00 C ATOM 194 C ALA A 12 7.012 17.630 6.480 1.00 0.00 C ATOM 195 O ALA A 12 6.590 16.743 5.737 1.00 0.00 O ATOM 196 CB ALA A 12 7.935 19.154 4.725 1.00 0.00 C ATOM 0 H ALA A 12 9.495 17.090 5.205 1.00 0.00 H new ATOM 0 HA ALA A 12 8.330 19.268 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.016 19.738 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.767 19.811 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.831 18.387 3.957 1.00 0.00 H new ATOM 202 N LYS A 13 6.476 17.893 7.667 1.00 0.00 N ATOM 203 CA LYS A 13 5.335 17.141 8.176 1.00 0.00 C ATOM 204 C LYS A 13 4.317 18.072 8.827 1.00 0.00 C ATOM 205 O LYS A 13 4.682 19.061 9.463 1.00 0.00 O ATOM 206 CB LYS A 13 5.802 16.091 9.187 1.00 0.00 C ATOM 207 CG LYS A 13 6.149 16.668 10.548 1.00 0.00 C ATOM 208 CD LYS A 13 6.637 15.592 11.502 1.00 0.00 C ATOM 209 CE LYS A 13 8.007 15.068 11.098 1.00 0.00 C ATOM 210 NZ LYS A 13 7.907 13.833 10.272 1.00 0.00 N ATOM 0 H LYS A 13 6.814 18.622 8.295 1.00 0.00 H new ATOM 0 HA LYS A 13 4.856 16.640 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.019 15.342 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.676 15.577 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.919 17.431 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.272 17.159 10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.684 15.995 12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.922 14.769 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.539 15.837 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.595 14.860 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.355 13.041 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.906 13.611 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.390 13.983 9.363 1.00 0.00 H new ATOM 224 N LYS A 14 3.039 17.748 8.665 1.00 0.00 N ATOM 225 CA LYS A 14 1.966 18.552 9.239 1.00 0.00 C ATOM 226 C LYS A 14 1.455 17.932 10.535 1.00 0.00 C ATOM 227 O LYS A 14 0.964 16.803 10.542 1.00 0.00 O ATOM 228 CB LYS A 14 0.816 18.693 8.240 1.00 0.00 C ATOM 229 CG LYS A 14 0.742 20.063 7.587 1.00 0.00 C ATOM 230 CD LYS A 14 -0.549 20.238 6.805 1.00 0.00 C ATOM 231 CE LYS A 14 -0.387 19.800 5.357 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.019 20.939 4.471 1.00 0.00 N ATOM 0 H LYS A 14 2.720 16.933 8.140 1.00 0.00 H new ATOM 0 HA LYS A 14 2.367 19.540 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.925 17.935 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.125 18.492 8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.813 20.836 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.594 20.196 6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.342 19.657 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.857 21.283 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.381 19.029 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.317 19.353 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.676 20.620 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.869 21.289 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.393 21.704 5.042 1.00 0.00 H new ATOM 246 N ILE A 15 1.572 18.677 11.629 1.00 0.00 N ATOM 247 CA ILE A 15 1.118 18.201 12.930 1.00 0.00 C ATOM 248 C ILE A 15 -0.138 18.940 13.379 1.00 0.00 C ATOM 249 O ILE A 15 -0.616 19.843 12.695 1.00 0.00 O ATOM 250 CB ILE A 15 2.210 18.369 14.003 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.527 19.851 14.212 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.464 17.604 13.606 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.482 20.109 15.356 1.00 0.00 C ATOM 0 H ILE A 15 1.977 19.613 11.640 1.00 0.00 H new ATOM 0 HA ILE A 15 0.891 17.141 12.816 1.00 0.00 H new ATOM 0 HB ILE A 15 1.841 17.960 14.944 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.954 20.256 13.294 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.598 20.391 14.396 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.227 17.732 14.374 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.227 16.545 13.503 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.838 17.986 12.656 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.661 21.180 15.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.048 19.735 16.283 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.426 19.598 15.165 1.00 0.00 H new ATOM 265 N ASN A 16 -0.666 18.550 14.534 1.00 0.00 N ATOM 266 CA ASN A 16 -1.866 19.177 15.076 1.00 0.00 C ATOM 267 C ASN A 16 -1.748 19.363 16.586 1.00 0.00 C ATOM 268 O ASN A 16 -2.739 19.625 17.268 1.00 0.00 O ATOM 269 CB ASN A 16 -3.099 18.332 14.750 1.00 0.00 C ATOM 270 CG ASN A 16 -3.681 18.660 13.388 1.00 0.00 C ATOM 271 OD1 ASN A 16 -3.643 17.840 12.471 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.223 19.864 13.252 1.00 0.00 N ATOM 0 H ASN A 16 -0.282 17.803 15.113 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.973 20.158 14.614 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.831 17.276 14.783 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.859 18.492 15.515 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.631 20.142 12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.232 20.511 14.040 1.00 0.00 H new ATOM 279 N SER A 17 -0.530 19.226 17.100 1.00 0.00 N ATOM 280 CA SER A 17 -0.283 19.376 18.530 1.00 0.00 C ATOM 281 C SER A 17 1.024 20.123 18.779 1.00 0.00 C ATOM 282 O SER A 17 2.069 19.767 18.235 1.00 0.00 O ATOM 283 CB SER A 17 -0.238 18.005 19.207 1.00 0.00 C ATOM 284 OG SER A 17 -1.234 17.144 18.684 1.00 0.00 O ATOM 0 H SER A 17 0.301 19.012 16.548 1.00 0.00 H new ATOM 0 HA SER A 17 -1.100 19.957 18.957 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.746 17.557 19.064 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.382 18.122 20.281 1.00 0.00 H new ATOM 0 HG SER A 17 -1.183 16.274 19.132 1.00 0.00 H new ATOM 290 N VAL A 18 0.956 21.161 19.607 1.00 0.00 N ATOM 291 CA VAL A 18 2.133 21.958 19.931 1.00 0.00 C ATOM 292 C VAL A 18 3.101 21.176 20.811 1.00 0.00 C ATOM 293 O VAL A 18 4.266 21.549 20.953 1.00 0.00 O ATOM 294 CB VAL A 18 1.745 23.265 20.648 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.731 24.045 19.826 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.202 22.968 22.038 1.00 0.00 C ATOM 0 H VAL A 18 0.098 21.469 20.065 1.00 0.00 H new ATOM 0 HA VAL A 18 2.621 22.201 18.987 1.00 0.00 H new ATOM 0 HB VAL A 18 2.639 23.880 20.755 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.469 24.965 20.349 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.161 24.289 18.855 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.165 23.441 19.685 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.933 23.902 22.531 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.319 22.334 21.956 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.964 22.455 22.624 1.00 0.00 H new ATOM 306 N ASP A 19 2.612 20.090 21.399 1.00 0.00 N ATOM 307 CA ASP A 19 3.435 19.254 22.265 1.00 0.00 C ATOM 308 C ASP A 19 4.616 18.671 21.495 1.00 0.00 C ATOM 309 O ASP A 19 5.720 18.554 22.027 1.00 0.00 O ATOM 310 CB ASP A 19 2.596 18.125 22.867 1.00 0.00 C ATOM 311 CG ASP A 19 3.421 17.182 23.721 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.089 17.663 24.660 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.397 15.964 23.450 1.00 0.00 O ATOM 0 H ASP A 19 1.650 19.768 21.292 1.00 0.00 H new ATOM 0 HA ASP A 19 3.822 19.878 23.070 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.797 18.553 23.472 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.121 17.562 22.064 1.00 0.00 H new ATOM 318 N ASP A 20 4.375 18.306 20.241 1.00 0.00 N ATOM 319 CA ASP A 20 5.419 17.735 19.397 1.00 0.00 C ATOM 320 C ASP A 20 6.278 18.833 18.778 1.00 0.00 C ATOM 321 O ASP A 20 6.424 18.906 17.557 1.00 0.00 O ATOM 322 CB ASP A 20 4.799 16.873 18.296 1.00 0.00 C ATOM 323 CG ASP A 20 4.502 15.462 18.764 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.463 14.712 19.038 1.00 0.00 O ATOM 325 OD2 ASP A 20 3.309 15.107 18.857 1.00 0.00 O ATOM 0 H ASP A 20 3.466 18.395 19.786 1.00 0.00 H new ATOM 0 HA ASP A 20 6.056 17.109 20.022 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.877 17.339 17.949 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.477 16.835 17.443 1.00 0.00 H new ATOM 330 N ILE A 21 6.843 19.685 19.627 1.00 0.00 N ATOM 331 CA ILE A 21 7.687 20.778 19.163 1.00 0.00 C ATOM 332 C ILE A 21 9.036 20.772 19.875 1.00 0.00 C ATOM 333 O ILE A 21 9.114 20.510 21.075 1.00 0.00 O ATOM 334 CB ILE A 21 7.010 22.144 19.381 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.728 22.241 18.551 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.966 23.273 19.023 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.921 23.490 18.830 1.00 0.00 C ATOM 0 H ILE A 21 6.731 19.639 20.640 1.00 0.00 H new ATOM 0 HA ILE A 21 7.842 20.625 18.095 1.00 0.00 H new ATOM 0 HB ILE A 21 6.746 22.238 20.434 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.987 22.214 17.493 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.109 21.366 18.750 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.473 24.232 19.182 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.853 23.212 19.653 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.258 23.185 17.976 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.027 23.492 18.207 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.631 23.509 19.881 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.523 24.370 18.604 1.00 0.00 H new ATOM 349 N ILE A 22 10.095 21.065 19.127 1.00 0.00 N ATOM 350 CA ILE A 22 11.440 21.096 19.688 1.00 0.00 C ATOM 351 C ILE A 22 12.157 22.391 19.324 1.00 0.00 C ATOM 352 O ILE A 22 11.586 23.268 18.675 1.00 0.00 O ATOM 353 CB ILE A 22 12.281 19.902 19.200 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.260 19.825 17.672 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.764 18.606 19.808 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.316 18.907 17.099 1.00 0.00 C ATOM 0 H ILE A 22 10.047 21.284 18.132 1.00 0.00 H new ATOM 0 HA ILE A 22 11.332 21.035 20.771 1.00 0.00 H new ATOM 0 HB ILE A 22 13.312 20.047 19.523 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.277 19.483 17.347 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.400 20.826 17.264 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.369 17.771 19.454 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.826 18.664 20.895 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.726 18.454 19.512 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.242 18.901 16.012 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.304 19.260 17.394 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.164 17.896 17.478 1.00 0.00 H new ATOM 368 N ILE A 23 13.413 22.504 19.743 1.00 0.00 N ATOM 369 CA ILE A 23 14.210 23.691 19.458 1.00 0.00 C ATOM 370 C ILE A 23 14.609 23.744 17.988 1.00 0.00 C ATOM 371 O ILE A 23 14.864 24.818 17.441 1.00 0.00 O ATOM 372 CB ILE A 23 15.481 23.737 20.326 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.111 23.850 21.807 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.367 24.900 19.906 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.821 22.518 22.461 1.00 0.00 C ATOM 0 H ILE A 23 13.901 21.788 20.281 1.00 0.00 H new ATOM 0 HA ILE A 23 13.588 24.554 19.694 1.00 0.00 H new ATOM 0 HB ILE A 23 16.036 22.811 20.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.927 24.338 22.341 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.236 24.492 21.906 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.261 24.919 20.529 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.655 24.780 18.862 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.821 25.836 20.026 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.566 22.675 23.509 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.985 22.037 21.953 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.702 21.880 22.394 1.00 0.00 H new ATOM 387 N LYS A 24 14.661 22.579 17.352 1.00 0.00 N ATOM 388 CA LYS A 24 15.027 22.492 15.943 1.00 0.00 C ATOM 389 C LYS A 24 13.785 22.493 15.057 1.00 0.00 C ATOM 390 O LYS A 24 13.879 22.342 13.839 1.00 0.00 O ATOM 391 CB LYS A 24 15.848 21.226 15.685 1.00 0.00 C ATOM 392 CG LYS A 24 17.277 21.315 16.190 1.00 0.00 C ATOM 393 CD LYS A 24 17.407 20.762 17.599 1.00 0.00 C ATOM 394 CE LYS A 24 18.864 20.556 17.985 1.00 0.00 C ATOM 395 NZ LYS A 24 19.453 19.365 17.312 1.00 0.00 N ATOM 0 H LYS A 24 14.454 21.681 17.790 1.00 0.00 H new ATOM 0 HA LYS A 24 15.630 23.366 15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.355 20.379 16.163 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.862 21.024 14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.936 20.763 15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.605 22.354 16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.936 21.446 18.304 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.873 19.814 17.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.439 21.444 17.721 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.940 20.437 19.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.399 19.179 17.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.843 18.538 17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.528 19.545 16.291 1.00 0.00 H new ATOM 409 N CYS A 25 12.622 22.667 15.677 1.00 0.00 N ATOM 410 CA CYS A 25 11.361 22.689 14.944 1.00 0.00 C ATOM 411 C CYS A 25 11.030 24.102 14.475 1.00 0.00 C ATOM 412 O CYS A 25 11.228 25.071 15.207 1.00 0.00 O ATOM 413 CB CYS A 25 10.229 22.151 15.821 1.00 0.00 C ATOM 414 SG CYS A 25 8.573 22.494 15.180 1.00 0.00 S ATOM 0 H CYS A 25 12.527 22.795 16.684 1.00 0.00 H new ATOM 0 HA CYS A 25 11.467 22.050 14.067 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.349 21.073 15.930 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.318 22.584 16.817 1.00 0.00 H new ATOM 0 HG CYS A 25 7.684 21.999 15.988 1.00 0.00 H new ATOM 420 N GLN A 26 10.526 24.209 13.250 1.00 0.00 N ATOM 421 CA GLN A 26 10.170 25.504 12.682 1.00 0.00 C ATOM 422 C GLN A 26 8.713 25.520 12.233 1.00 0.00 C ATOM 423 O GLN A 26 8.249 24.594 11.565 1.00 0.00 O ATOM 424 CB GLN A 26 11.084 25.836 11.501 1.00 0.00 C ATOM 425 CG GLN A 26 12.557 25.897 11.870 1.00 0.00 C ATOM 426 CD GLN A 26 13.464 25.887 10.655 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.724 26.928 10.051 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.951 24.707 10.290 1.00 0.00 N ATOM 0 H GLN A 26 10.355 23.416 12.632 1.00 0.00 H new ATOM 0 HA GLN A 26 10.300 26.260 13.457 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.944 25.087 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.784 26.795 11.078 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.745 26.800 12.451 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.803 25.049 12.509 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.709 23.870 10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.567 24.638 9.480 1.00 0.00 H new ATOM 437 N CYS A 27 7.996 26.574 12.604 1.00 0.00 N ATOM 438 CA CYS A 27 6.589 26.709 12.240 1.00 0.00 C ATOM 439 C CYS A 27 6.261 28.150 11.862 1.00 0.00 C ATOM 440 O CYS A 27 7.121 29.029 11.924 1.00 0.00 O ATOM 441 CB CYS A 27 5.696 26.256 13.396 1.00 0.00 C ATOM 442 SG CYS A 27 6.033 27.094 14.962 1.00 0.00 S ATOM 0 H CYS A 27 8.365 27.348 13.157 1.00 0.00 H new ATOM 0 HA CYS A 27 6.400 26.074 11.375 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.654 26.424 13.123 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.819 25.182 13.537 1.00 0.00 H new ATOM 0 HG CYS A 27 5.226 26.645 15.877 1.00 0.00 H new ATOM 448 N TRP A 28 5.014 28.384 11.470 1.00 0.00 N ATOM 449 CA TRP A 28 4.573 29.718 11.081 1.00 0.00 C ATOM 450 C TRP A 28 3.838 30.405 12.227 1.00 0.00 C ATOM 451 O TRP A 28 3.069 29.772 12.951 1.00 0.00 O ATOM 452 CB TRP A 28 3.666 29.640 9.852 1.00 0.00 C ATOM 453 CG TRP A 28 4.412 29.371 8.580 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.792 28.152 8.094 1.00 0.00 C ATOM 455 CD2 TRP A 28 4.870 30.342 7.633 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.458 28.307 6.903 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.519 29.641 6.597 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.794 31.735 7.558 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.087 30.288 5.503 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.359 32.376 6.472 1.00 0.00 C ATOM 461 CH2 TRP A 28 5.998 31.653 5.456 1.00 0.00 C ATOM 0 H TRP A 28 4.290 27.667 11.413 1.00 0.00 H new ATOM 0 HA TRP A 28 5.456 30.307 10.835 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.926 28.854 10.004 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.119 30.578 9.753 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.597 27.205 8.576 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.845 27.551 6.338 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.302 32.301 8.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.580 29.733 4.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.307 33.453 6.405 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.429 32.183 4.619 1.00 0.00 H new ATOM 472 N VAL A 29 4.079 31.702 12.386 1.00 0.00 N ATOM 473 CA VAL A 29 3.438 32.475 13.444 1.00 0.00 C ATOM 474 C VAL A 29 2.657 33.651 12.869 1.00 0.00 C ATOM 475 O VAL A 29 3.138 34.351 11.978 1.00 0.00 O ATOM 476 CB VAL A 29 4.471 33.003 14.457 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.772 33.634 15.652 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.401 31.885 14.902 1.00 0.00 C ATOM 0 H VAL A 29 4.713 32.240 11.796 1.00 0.00 H new ATOM 0 HA VAL A 29 2.750 31.802 13.956 1.00 0.00 H new ATOM 0 HB VAL A 29 5.072 33.771 13.970 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.517 34.001 16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.152 34.464 15.314 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.145 32.889 16.142 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.124 32.276 15.618 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.818 31.092 15.372 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.928 31.484 14.036 1.00 0.00 H new ATOM 488 N GLN A 30 1.451 33.863 13.387 1.00 0.00 N ATOM 489 CA GLN A 30 0.604 34.956 12.924 1.00 0.00 C ATOM 490 C GLN A 30 1.008 36.273 13.579 1.00 0.00 C ATOM 491 O GLN A 30 0.930 36.422 14.799 1.00 0.00 O ATOM 492 CB GLN A 30 -0.865 34.652 13.225 1.00 0.00 C ATOM 493 CG GLN A 30 -1.799 35.814 12.929 1.00 0.00 C ATOM 494 CD GLN A 30 -3.226 35.367 12.679 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.797 34.608 13.462 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.810 35.836 11.583 1.00 0.00 N ATOM 0 H GLN A 30 1.039 33.293 14.126 1.00 0.00 H new ATOM 0 HA GLN A 30 0.735 35.053 11.846 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.176 33.788 12.638 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.963 34.376 14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.782 36.511 13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.434 36.356 12.056 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.299 36.463 10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.769 35.569 11.362 1.00 0.00 H new ATOM 505 N LYS A 31 1.440 37.226 12.761 1.00 0.00 N ATOM 506 CA LYS A 31 1.856 38.532 13.259 1.00 0.00 C ATOM 507 C LYS A 31 1.436 39.640 12.299 1.00 0.00 C ATOM 508 O LYS A 31 1.584 39.511 11.085 1.00 0.00 O ATOM 509 CB LYS A 31 3.373 38.564 13.460 1.00 0.00 C ATOM 510 CG LYS A 31 3.802 39.243 14.749 1.00 0.00 C ATOM 511 CD LYS A 31 3.276 38.506 15.969 1.00 0.00 C ATOM 512 CE LYS A 31 3.962 38.977 17.243 1.00 0.00 C ATOM 513 NZ LYS A 31 3.681 38.071 18.391 1.00 0.00 N ATOM 0 H LYS A 31 1.511 37.119 11.749 1.00 0.00 H new ATOM 0 HA LYS A 31 1.365 38.701 14.217 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.753 37.543 13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.832 39.081 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.890 39.290 14.792 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.438 40.270 14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.201 38.662 16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.434 37.435 15.844 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.038 39.031 17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.626 39.985 17.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.373 38.245 19.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.722 38.253 18.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.752 37.082 18.078 1.00 0.00 H new ATOM 527 N ASN A 32 0.913 40.729 12.852 1.00 0.00 N ATOM 528 CA ASN A 32 0.472 41.861 12.044 1.00 0.00 C ATOM 529 C ASN A 32 -0.473 41.403 10.937 1.00 0.00 C ATOM 530 O ASN A 32 -0.284 41.737 9.768 1.00 0.00 O ATOM 531 CB ASN A 32 1.678 42.580 11.436 1.00 0.00 C ATOM 532 CG ASN A 32 1.298 43.896 10.786 1.00 0.00 C ATOM 533 OD1 ASN A 32 0.787 44.802 11.445 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.546 44.007 9.486 1.00 0.00 N ATOM 0 H ASN A 32 0.784 40.852 13.856 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.065 42.552 12.693 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.419 42.763 12.214 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.147 41.934 10.694 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.312 44.869 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.971 43.230 8.980 1.00 0.00 H new ATOM 541 N ASP A 33 -1.491 40.637 11.315 1.00 0.00 N ATOM 542 CA ASP A 33 -2.467 40.135 10.355 1.00 0.00 C ATOM 543 C ASP A 33 -1.773 39.436 9.190 1.00 0.00 C ATOM 544 O ASP A 33 -2.286 39.419 8.072 1.00 0.00 O ATOM 545 CB ASP A 33 -3.338 41.280 9.835 1.00 0.00 C ATOM 546 CG ASP A 33 -4.730 40.819 9.451 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.419 40.231 10.311 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.132 41.048 8.291 1.00 0.00 O ATOM 0 H ASP A 33 -1.661 40.350 12.279 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.101 39.409 10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.412 42.053 10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.857 41.734 8.969 1.00 0.00 H new ATOM 553 N GLU A 34 -0.605 38.863 9.461 1.00 0.00 N ATOM 554 CA GLU A 34 0.159 38.164 8.434 1.00 0.00 C ATOM 555 C GLU A 34 0.789 36.893 8.995 1.00 0.00 C ATOM 556 O GLU A 34 0.692 36.615 10.189 1.00 0.00 O ATOM 557 CB GLU A 34 1.246 39.079 7.866 1.00 0.00 C ATOM 558 CG GLU A 34 0.739 40.042 6.806 1.00 0.00 C ATOM 559 CD GLU A 34 1.862 40.665 5.999 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.985 40.120 6.027 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.618 41.697 5.340 1.00 0.00 O ATOM 0 H GLU A 34 -0.167 38.869 10.382 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.526 37.885 7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.690 39.650 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.038 38.465 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.063 39.513 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.159 40.831 7.285 1.00 0.00 H new ATOM 568 N GLU A 35 1.436 36.125 8.123 1.00 0.00 N ATOM 569 CA GLU A 35 2.081 34.883 8.531 1.00 0.00 C ATOM 570 C GLU A 35 3.578 34.926 8.238 1.00 0.00 C ATOM 571 O GLU A 35 3.994 35.199 7.112 1.00 0.00 O ATOM 572 CB GLU A 35 1.444 33.692 7.812 1.00 0.00 C ATOM 573 CG GLU A 35 0.460 32.917 8.673 1.00 0.00 C ATOM 574 CD GLU A 35 -0.589 32.193 7.853 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.611 32.379 6.618 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.389 31.439 8.446 1.00 0.00 O ATOM 0 H GLU A 35 1.527 36.341 7.130 1.00 0.00 H new ATOM 0 HA GLU A 35 1.942 34.767 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.930 34.049 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.231 33.017 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.005 32.193 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.033 33.603 9.362 1.00 0.00 H new ATOM 583 N ARG A 36 4.382 34.655 9.261 1.00 0.00 N ATOM 584 CA ARG A 36 5.833 34.664 9.115 1.00 0.00 C ATOM 585 C ARG A 36 6.442 33.375 9.659 1.00 0.00 C ATOM 586 O ARG A 36 6.043 32.885 10.716 1.00 0.00 O ATOM 587 CB ARG A 36 6.432 35.870 9.841 1.00 0.00 C ATOM 588 CG ARG A 36 5.895 37.205 9.351 1.00 0.00 C ATOM 589 CD ARG A 36 6.847 38.344 9.680 1.00 0.00 C ATOM 590 NE ARG A 36 7.871 38.516 8.653 1.00 0.00 N ATOM 591 CZ ARG A 36 7.618 38.981 7.435 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.382 39.318 7.093 1.00 0.00 N ATOM 593 NH2 ARG A 36 8.603 39.109 6.555 1.00 0.00 N ATOM 0 H ARG A 36 4.054 34.427 10.199 1.00 0.00 H new ATOM 0 HA ARG A 36 6.066 34.735 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.231 35.777 10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.515 35.856 9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.737 37.161 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.924 37.398 9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.281 39.270 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.325 38.151 10.640 1.00 0.00 H new ATOM 0 HE ARG A 36 8.832 38.265 8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.622 39.220 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.191 39.675 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.555 38.850 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.408 39.466 5.620 1.00 0.00 H new ATOM 607 N LEU A 37 7.410 32.831 8.930 1.00 0.00 N ATOM 608 CA LEU A 37 8.075 31.598 9.338 1.00 0.00 C ATOM 609 C LEU A 37 8.983 31.842 10.540 1.00 0.00 C ATOM 610 O LEU A 37 10.033 32.473 10.419 1.00 0.00 O ATOM 611 CB LEU A 37 8.890 31.026 8.177 1.00 0.00 C ATOM 612 CG LEU A 37 9.386 29.590 8.349 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.337 28.601 7.866 1.00 0.00 C ATOM 614 CD2 LEU A 37 10.697 29.386 7.603 1.00 0.00 C ATOM 0 H LEU A 37 7.752 33.224 8.053 1.00 0.00 H new ATOM 0 HA LEU A 37 7.308 30.878 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.281 31.073 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.754 31.670 8.013 1.00 0.00 H new ATOM 0 HG LEU A 37 9.562 29.412 9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.708 27.584 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.422 28.730 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.128 28.778 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.035 28.358 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.546 29.584 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.449 30.070 7.996 1.00 0.00 H new ATOM 626 N ALA A 38 8.572 31.335 11.697 1.00 0.00 N ATOM 627 CA ALA A 38 9.351 31.493 12.920 1.00 0.00 C ATOM 628 C ALA A 38 9.979 30.171 13.346 1.00 0.00 C ATOM 629 O ALA A 38 9.341 29.121 13.281 1.00 0.00 O ATOM 630 CB ALA A 38 8.476 32.047 14.034 1.00 0.00 C ATOM 0 H ALA A 38 7.704 30.811 11.814 1.00 0.00 H new ATOM 0 HA ALA A 38 10.157 32.199 12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.070 32.160 14.941 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.080 33.018 13.737 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.651 31.361 14.224 1.00 0.00 H new ATOM 636 N GLU A 39 11.234 30.230 13.780 1.00 0.00 N ATOM 637 CA GLU A 39 11.948 29.035 14.215 1.00 0.00 C ATOM 638 C GLU A 39 11.957 28.930 15.737 1.00 0.00 C ATOM 639 O GLU A 39 12.294 29.888 16.434 1.00 0.00 O ATOM 640 CB GLU A 39 13.384 29.052 13.686 1.00 0.00 C ATOM 641 CG GLU A 39 14.262 27.959 14.273 1.00 0.00 C ATOM 642 CD GLU A 39 15.606 27.854 13.579 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.076 28.878 13.041 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.186 26.749 13.573 1.00 0.00 O ATOM 0 H GLU A 39 11.777 31.091 13.840 1.00 0.00 H new ATOM 0 HA GLU A 39 11.429 28.166 13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.364 28.947 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.831 30.022 13.904 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.419 28.155 15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.744 27.003 14.199 1.00 0.00 H new ATOM 651 N ILE A 40 11.582 27.761 16.246 1.00 0.00 N ATOM 652 CA ILE A 40 11.547 27.531 17.684 1.00 0.00 C ATOM 653 C ILE A 40 12.941 27.635 18.293 1.00 0.00 C ATOM 654 O ILE A 40 13.926 27.204 17.692 1.00 0.00 O ATOM 655 CB ILE A 40 10.955 26.148 18.019 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.560 26.005 17.407 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.903 25.945 19.525 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.534 26.932 18.020 1.00 0.00 C ATOM 0 H ILE A 40 11.298 26.959 15.683 1.00 0.00 H new ATOM 0 HA ILE A 40 10.908 28.304 18.111 1.00 0.00 H new ATOM 0 HB ILE A 40 11.599 25.380 17.591 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.620 26.200 16.336 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.224 24.975 17.525 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.483 24.964 19.746 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.911 26.009 19.936 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.278 26.717 19.975 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.569 26.776 17.538 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.445 26.723 19.086 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.847 27.966 17.878 1.00 0.00 H new ATOM 670 N LEU A 41 13.017 28.209 19.488 1.00 0.00 N ATOM 671 CA LEU A 41 14.292 28.369 20.180 1.00 0.00 C ATOM 672 C LEU A 41 14.292 27.609 21.502 1.00 0.00 C ATOM 673 O LEU A 41 15.310 27.046 21.905 1.00 0.00 O ATOM 674 CB LEU A 41 14.575 29.851 20.431 1.00 0.00 C ATOM 675 CG LEU A 41 15.060 30.656 19.224 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.302 32.106 19.612 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.324 30.038 18.645 1.00 0.00 C ATOM 0 H LEU A 41 12.212 28.571 19.998 1.00 0.00 H new ATOM 0 HA LEU A 41 15.077 27.958 19.545 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.664 30.315 20.810 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.324 29.929 21.219 1.00 0.00 H new ATOM 0 HG LEU A 41 14.284 30.631 18.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.647 32.663 18.741 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.374 32.544 19.979 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.059 32.152 20.395 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.655 30.623 17.787 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.106 30.032 19.404 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.117 29.016 18.329 1.00 0.00 H new ATOM 689 N SER A 42 13.144 27.595 22.172 1.00 0.00 N ATOM 690 CA SER A 42 13.013 26.904 23.449 1.00 0.00 C ATOM 691 C SER A 42 11.545 26.662 23.788 1.00 0.00 C ATOM 692 O SER A 42 10.649 27.155 23.101 1.00 0.00 O ATOM 693 CB SER A 42 13.678 27.716 24.563 1.00 0.00 C ATOM 694 OG SER A 42 14.562 26.910 25.323 1.00 0.00 O ATOM 0 H SER A 42 12.292 28.054 21.852 1.00 0.00 H new ATOM 0 HA SER A 42 13.512 25.939 23.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.225 28.553 24.130 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.914 28.138 25.216 1.00 0.00 H new ATOM 0 HG SER A 42 14.975 27.452 26.027 1.00 0.00 H new ATOM 700 N ILE A 43 11.307 25.901 24.850 1.00 0.00 N ATOM 701 CA ILE A 43 9.949 25.594 25.281 1.00 0.00 C ATOM 702 C ILE A 43 9.759 25.903 26.762 1.00 0.00 C ATOM 703 O ILE A 43 10.656 25.679 27.573 1.00 0.00 O ATOM 704 CB ILE A 43 9.598 24.116 25.027 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.822 23.762 23.556 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.158 23.837 25.431 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.759 22.277 23.275 1.00 0.00 C ATOM 0 H ILE A 43 12.037 25.485 25.428 1.00 0.00 H new ATOM 0 HA ILE A 43 9.282 26.224 24.693 1.00 0.00 H new ATOM 0 HB ILE A 43 10.253 23.492 25.635 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.072 24.270 22.950 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.795 24.142 23.243 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.925 22.789 25.246 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.029 24.056 26.491 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.488 24.467 24.846 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.927 22.100 22.213 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.527 21.764 23.854 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.778 21.895 23.556 1.00 0.00 H new ATOM 719 N ASN A 44 8.583 26.417 27.108 1.00 0.00 N ATOM 720 CA ASN A 44 8.274 26.755 28.492 1.00 0.00 C ATOM 721 C ASN A 44 6.893 26.238 28.884 1.00 0.00 C ATOM 722 O ASN A 44 5.874 26.852 28.568 1.00 0.00 O ATOM 723 CB ASN A 44 8.339 28.271 28.696 1.00 0.00 C ATOM 724 CG ASN A 44 7.833 28.693 30.061 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.001 27.975 31.047 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.209 29.863 30.125 1.00 0.00 N ATOM 0 H ASN A 44 7.829 26.608 26.449 1.00 0.00 H new ATOM 0 HA ASN A 44 9.017 26.276 29.130 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.368 28.607 28.573 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.748 28.764 27.924 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.846 30.199 31.017 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.092 30.425 29.282 1.00 0.00 H new ATOM 733 N THR A 45 6.867 25.102 29.575 1.00 0.00 N ATOM 734 CA THR A 45 5.613 24.500 30.009 1.00 0.00 C ATOM 735 C THR A 45 5.330 24.817 31.473 1.00 0.00 C ATOM 736 O THR A 45 5.300 23.921 32.317 1.00 0.00 O ATOM 737 CB THR A 45 5.628 22.972 29.820 1.00 0.00 C ATOM 738 OG1 THR A 45 6.723 22.399 30.543 1.00 0.00 O ATOM 739 CG2 THR A 45 5.742 22.610 28.346 1.00 0.00 C ATOM 0 H THR A 45 7.701 24.581 29.846 1.00 0.00 H new ATOM 0 HA THR A 45 4.825 24.927 29.388 1.00 0.00 H new ATOM 0 HB THR A 45 4.690 22.572 30.205 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.618 22.588 31.499 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.751 21.525 28.237 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.891 23.022 27.803 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.666 23.023 27.940 1.00 0.00 H new ATOM 747 N ARG A 46 5.121 26.096 31.768 1.00 0.00 N ATOM 748 CA ARG A 46 4.840 26.530 33.131 1.00 0.00 C ATOM 749 C ARG A 46 3.468 27.192 33.219 1.00 0.00 C ATOM 750 O ARG A 46 3.111 27.772 34.245 1.00 0.00 O ATOM 751 CB ARG A 46 5.919 27.502 33.612 1.00 0.00 C ATOM 752 CG ARG A 46 7.169 26.813 34.136 1.00 0.00 C ATOM 753 CD ARG A 46 6.952 26.251 35.532 1.00 0.00 C ATOM 754 NE ARG A 46 8.197 26.176 36.292 1.00 0.00 N ATOM 755 CZ ARG A 46 8.245 26.027 37.611 1.00 0.00 C ATOM 756 NH1 ARG A 46 7.123 25.936 38.312 1.00 0.00 N ATOM 757 NH2 ARG A 46 9.416 25.968 38.231 1.00 0.00 N ATOM 0 H ARG A 46 5.141 26.850 31.081 1.00 0.00 H new ATOM 0 HA ARG A 46 4.841 25.649 33.773 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.195 28.161 32.789 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.504 28.132 34.399 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.453 26.008 33.459 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.997 27.522 34.153 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.238 26.876 36.067 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.512 25.256 35.458 1.00 0.00 H new ATOM 0 HE ARG A 46 9.078 26.242 35.782 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.221 25.980 37.838 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.162 25.822 39.325 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.281 26.037 37.695 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.452 25.854 39.244 1.00 0.00 H new ATOM 771 N LYS A 47 2.703 27.101 32.137 1.00 0.00 N ATOM 772 CA LYS A 47 1.370 27.690 32.090 1.00 0.00 C ATOM 773 C LYS A 47 0.394 26.770 31.364 1.00 0.00 C ATOM 774 O LYS A 47 0.777 25.713 30.865 1.00 0.00 O ATOM 775 CB LYS A 47 1.416 29.053 31.395 1.00 0.00 C ATOM 776 CG LYS A 47 0.602 30.123 32.101 1.00 0.00 C ATOM 777 CD LYS A 47 1.307 30.628 33.349 1.00 0.00 C ATOM 778 CE LYS A 47 2.088 31.903 33.070 1.00 0.00 C ATOM 779 NZ LYS A 47 3.546 31.638 32.919 1.00 0.00 N ATOM 0 H LYS A 47 2.983 26.624 31.280 1.00 0.00 H new ATOM 0 HA LYS A 47 1.023 27.823 33.115 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.453 29.382 31.328 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.049 28.944 30.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.425 30.955 31.420 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.374 29.720 32.371 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.573 30.814 34.133 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.984 29.859 33.722 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.708 32.370 32.162 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.930 32.611 33.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.043 32.532 32.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.915 31.215 33.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.699 30.982 32.127 1.00 0.00 H new ATOM 793 N ALA A 48 -0.869 27.180 31.309 1.00 0.00 N ATOM 794 CA ALA A 48 -1.899 26.394 30.641 1.00 0.00 C ATOM 795 C ALA A 48 -2.858 27.291 29.866 1.00 0.00 C ATOM 796 O ALA A 48 -3.710 27.971 30.438 1.00 0.00 O ATOM 797 CB ALA A 48 -2.663 25.554 31.655 1.00 0.00 C ATOM 0 H ALA A 48 -1.203 28.052 31.719 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.409 25.729 29.930 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.429 24.972 31.142 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.973 24.879 32.162 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.135 26.208 32.388 1.00 0.00 H new ATOM 803 N PRO A 49 -2.717 27.296 28.532 1.00 0.00 N ATOM 804 CA PRO A 49 -1.705 26.492 27.840 1.00 0.00 C ATOM 805 C PRO A 49 -0.289 27.001 28.090 1.00 0.00 C ATOM 806 O PRO A 49 -0.080 28.116 28.568 1.00 0.00 O ATOM 807 CB PRO A 49 -2.076 26.648 26.363 1.00 0.00 C ATOM 808 CG PRO A 49 -2.801 27.948 26.291 1.00 0.00 C ATOM 809 CD PRO A 49 -3.533 28.088 27.596 1.00 0.00 C ATOM 0 HA PRO A 49 -1.700 25.458 28.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.189 26.654 25.730 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.704 25.825 26.023 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.106 28.775 26.143 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.495 27.961 25.451 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.604 29.130 27.907 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.552 27.706 27.528 1.00 0.00 H new ATOM 817 N PRO A 50 0.707 26.166 27.760 1.00 0.00 N ATOM 818 CA PRO A 50 2.121 26.511 27.939 1.00 0.00 C ATOM 819 C PRO A 50 2.579 27.598 26.972 1.00 0.00 C ATOM 820 O PRO A 50 1.794 28.100 26.168 1.00 0.00 O ATOM 821 CB PRO A 50 2.847 25.196 27.647 1.00 0.00 C ATOM 822 CG PRO A 50 1.921 24.442 26.756 1.00 0.00 C ATOM 823 CD PRO A 50 0.531 24.822 27.185 1.00 0.00 C ATOM 0 HA PRO A 50 2.320 26.912 28.933 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.807 25.373 27.162 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.051 24.644 28.565 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.090 24.699 25.710 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.078 23.367 26.850 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.161 24.833 26.343 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.131 24.121 27.917 1.00 0.00 H new ATOM 831 N LYS A 51 3.856 27.957 27.056 1.00 0.00 N ATOM 832 CA LYS A 51 4.421 28.983 26.187 1.00 0.00 C ATOM 833 C LYS A 51 5.620 28.443 25.416 1.00 0.00 C ATOM 834 O LYS A 51 6.241 27.461 25.822 1.00 0.00 O ATOM 835 CB LYS A 51 4.838 30.204 27.011 1.00 0.00 C ATOM 836 CG LYS A 51 3.684 31.131 27.352 1.00 0.00 C ATOM 837 CD LYS A 51 4.146 32.314 28.186 1.00 0.00 C ATOM 838 CE LYS A 51 3.157 33.467 28.115 1.00 0.00 C ATOM 839 NZ LYS A 51 3.560 34.598 28.995 1.00 0.00 N ATOM 0 H LYS A 51 4.519 27.553 27.717 1.00 0.00 H new ATOM 0 HA LYS A 51 3.655 29.280 25.470 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.306 29.865 27.935 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.592 30.764 26.458 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.222 31.491 26.433 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.920 30.577 27.897 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.270 32.003 29.223 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.122 32.649 27.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.081 33.817 27.086 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.167 33.115 28.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.861 35.364 28.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.608 34.271 29.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.493 34.951 28.701 1.00 0.00 H new ATOM 853 N PHE A 52 5.943 29.093 24.302 1.00 0.00 N ATOM 854 CA PHE A 52 7.069 28.677 23.474 1.00 0.00 C ATOM 855 C PHE A 52 7.851 29.888 22.973 1.00 0.00 C ATOM 856 O PHE A 52 7.289 30.966 22.776 1.00 0.00 O ATOM 857 CB PHE A 52 6.577 27.847 22.286 1.00 0.00 C ATOM 858 CG PHE A 52 5.829 26.609 22.690 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.512 26.687 23.115 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.442 25.367 22.645 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.820 25.549 23.486 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.755 24.226 23.015 1.00 0.00 C ATOM 863 CZ PHE A 52 4.443 24.318 23.437 1.00 0.00 C ATOM 0 H PHE A 52 5.441 29.909 23.952 1.00 0.00 H new ATOM 0 HA PHE A 52 7.732 28.065 24.086 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.931 28.466 21.663 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.432 27.562 21.673 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.021 27.648 23.157 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.468 25.290 22.317 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.794 25.623 23.814 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.244 23.264 22.974 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.905 23.428 23.728 1.00 0.00 H new ATOM 873 N TYR A 53 9.150 29.702 22.769 1.00 0.00 N ATOM 874 CA TYR A 53 10.011 30.779 22.293 1.00 0.00 C ATOM 875 C TYR A 53 10.261 30.655 20.794 1.00 0.00 C ATOM 876 O TYR A 53 10.857 29.682 20.330 1.00 0.00 O ATOM 877 CB TYR A 53 11.342 30.766 23.047 1.00 0.00 C ATOM 878 CG TYR A 53 12.043 32.105 23.060 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.357 33.268 23.390 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.393 32.208 22.744 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.994 34.494 23.403 1.00 0.00 C ATOM 882 CE2 TYR A 53 14.038 33.430 22.756 1.00 0.00 C ATOM 883 CZ TYR A 53 13.334 34.570 23.086 1.00 0.00 C ATOM 884 OH TYR A 53 13.972 35.789 23.099 1.00 0.00 O ATOM 0 H TYR A 53 9.630 28.816 22.926 1.00 0.00 H new ATOM 0 HA TYR A 53 9.504 31.725 22.480 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.165 30.448 24.074 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.000 30.025 22.593 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.308 33.212 23.641 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.947 31.318 22.485 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.445 35.388 23.660 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.087 33.493 22.508 1.00 0.00 H new ATOM 0 HH TYR A 53 14.774 35.744 22.538 1.00 0.00 H new ATOM 894 N VAL A 54 9.802 31.648 20.039 1.00 0.00 N ATOM 895 CA VAL A 54 9.977 31.653 18.592 1.00 0.00 C ATOM 896 C VAL A 54 10.908 32.779 18.154 1.00 0.00 C ATOM 897 O VAL A 54 11.074 33.772 18.863 1.00 0.00 O ATOM 898 CB VAL A 54 8.628 31.805 17.864 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.809 30.529 17.984 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.858 32.996 18.415 1.00 0.00 C ATOM 0 H VAL A 54 9.306 32.460 20.406 1.00 0.00 H new ATOM 0 HA VAL A 54 10.420 30.694 18.324 1.00 0.00 H new ATOM 0 HB VAL A 54 8.823 31.984 16.807 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.860 30.656 17.464 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.359 29.700 17.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.620 30.315 19.036 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.907 33.089 17.890 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.672 32.848 19.479 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.442 33.905 18.272 1.00 0.00 H new ATOM 910 N HIS A 55 11.512 32.617 16.982 1.00 0.00 N ATOM 911 CA HIS A 55 12.427 33.621 16.448 1.00 0.00 C ATOM 912 C HIS A 55 12.216 33.804 14.948 1.00 0.00 C ATOM 913 O HIS A 55 12.423 32.877 14.165 1.00 0.00 O ATOM 914 CB HIS A 55 13.876 33.221 16.727 1.00 0.00 C ATOM 915 CG HIS A 55 14.867 33.903 15.836 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.808 35.247 15.533 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.949 33.419 15.181 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.809 35.560 14.730 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.516 34.468 14.501 1.00 0.00 N ATOM 0 H HIS A 55 11.385 31.801 16.383 1.00 0.00 H new ATOM 0 HA HIS A 55 12.218 34.569 16.945 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.114 33.451 17.765 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.976 32.142 16.609 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.300 32.398 15.192 1.00 0.00 H new ATOM 0 HE1 HIS A 55 16.014 36.542 14.329 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.348 34.413 13.914 1.00 0.00 H new ATOM 927 N TYR A 56 11.805 35.005 14.556 1.00 0.00 N ATOM 928 CA TYR A 56 11.563 35.308 13.151 1.00 0.00 C ATOM 929 C TYR A 56 12.851 35.196 12.340 1.00 0.00 C ATOM 930 O TYR A 56 13.734 36.049 12.433 1.00 0.00 O ATOM 931 CB TYR A 56 10.977 36.713 13.004 1.00 0.00 C ATOM 932 CG TYR A 56 9.624 36.876 13.660 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.456 36.564 12.975 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.514 37.341 14.965 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.218 36.712 13.570 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.280 37.490 15.568 1.00 0.00 C ATOM 937 CZ TYR A 56 7.135 37.175 14.866 1.00 0.00 C ATOM 938 OH TYR A 56 5.904 37.322 15.463 1.00 0.00 O ATOM 0 H TYR A 56 11.633 35.784 15.191 1.00 0.00 H new ATOM 0 HA TYR A 56 10.848 34.581 12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.671 37.434 13.437 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.889 36.952 11.944 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.517 36.200 11.960 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.408 37.590 15.517 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.320 36.466 13.023 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.212 37.851 16.584 1.00 0.00 H new ATOM 0 HH TYR A 56 5.990 37.183 16.429 1.00 0.00 H new ATOM 948 N VAL A 57 12.951 34.136 11.544 1.00 0.00 N ATOM 949 CA VAL A 57 14.129 33.911 10.715 1.00 0.00 C ATOM 950 C VAL A 57 14.328 35.050 9.722 1.00 0.00 C ATOM 951 O VAL A 57 15.450 35.337 9.308 1.00 0.00 O ATOM 952 CB VAL A 57 14.025 32.583 9.941 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.244 32.386 9.053 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.863 31.417 10.905 1.00 0.00 C ATOM 0 H VAL A 57 12.230 33.420 11.456 1.00 0.00 H new ATOM 0 HA VAL A 57 14.985 33.865 11.388 1.00 0.00 H new ATOM 0 HB VAL A 57 13.143 32.622 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.153 31.443 8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.311 33.207 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.143 32.367 9.669 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.791 30.487 10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.725 31.373 11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.957 31.555 11.494 1.00 0.00 H new ATOM 964 N ASN A 58 13.230 35.698 9.344 1.00 0.00 N ATOM 965 CA ASN A 58 13.284 36.807 8.399 1.00 0.00 C ATOM 966 C ASN A 58 13.820 38.068 9.070 1.00 0.00 C ATOM 967 O ASN A 58 14.352 38.959 8.407 1.00 0.00 O ATOM 968 CB ASN A 58 11.895 37.077 7.817 1.00 0.00 C ATOM 969 CG ASN A 58 11.273 35.836 7.207 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.613 35.442 6.091 1.00 0.00 O ATOM 971 ND2 ASN A 58 10.356 35.213 7.938 1.00 0.00 N ATOM 0 H ASN A 58 12.293 35.474 9.678 1.00 0.00 H new ATOM 0 HA ASN A 58 13.962 36.530 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.243 37.458 8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.967 37.855 7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.903 34.373 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.105 35.575 8.858 1.00 0.00 H new ATOM 978 N TYR A 59 13.677 38.136 10.389 1.00 0.00 N ATOM 979 CA TYR A 59 14.145 39.288 11.151 1.00 0.00 C ATOM 980 C TYR A 59 15.348 38.919 12.013 1.00 0.00 C ATOM 981 O TYR A 59 15.856 37.801 11.943 1.00 0.00 O ATOM 982 CB TYR A 59 13.020 39.834 12.032 1.00 0.00 C ATOM 983 CG TYR A 59 11.861 40.407 11.248 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.049 41.459 10.360 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.577 39.896 11.395 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.993 41.986 9.642 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.515 40.416 10.680 1.00 0.00 C ATOM 988 CZ TYR A 59 9.728 41.461 9.806 1.00 0.00 C ATOM 989 OH TYR A 59 8.673 41.982 9.092 1.00 0.00 O ATOM 0 H TYR A 59 13.241 37.407 10.953 1.00 0.00 H new ATOM 0 HA TYR A 59 14.451 40.059 10.444 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.653 39.034 12.675 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.424 40.608 12.685 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.038 41.872 10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.406 39.078 12.080 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.157 42.804 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.524 40.006 10.805 1.00 0.00 H new ATOM 0 HH TYR A 59 7.852 41.499 9.323 1.00 0.00 H new ATOM 999 N ASN A 60 15.798 39.868 12.827 1.00 0.00 N ATOM 1000 CA ASN A 60 16.941 39.644 13.704 1.00 0.00 C ATOM 1001 C ASN A 60 16.521 38.897 14.966 1.00 0.00 C ATOM 1002 O ASN A 60 15.333 38.679 15.206 1.00 0.00 O ATOM 1003 CB ASN A 60 17.591 40.978 14.080 1.00 0.00 C ATOM 1004 CG ASN A 60 18.325 41.612 12.915 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.488 41.301 12.656 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.648 42.508 12.206 1.00 0.00 N ATOM 0 H ASN A 60 15.389 40.800 12.898 1.00 0.00 H new ATOM 0 HA ASN A 60 17.666 39.033 13.166 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.824 41.664 14.439 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.288 40.820 14.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.090 42.969 11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.686 42.735 12.457 1.00 0.00 H new ATOM 1013 N LYS A 61 17.503 38.507 15.771 1.00 0.00 N ATOM 1014 CA LYS A 61 17.237 37.785 17.010 1.00 0.00 C ATOM 1015 C LYS A 61 16.542 38.686 18.025 1.00 0.00 C ATOM 1016 O LYS A 61 16.035 38.214 19.043 1.00 0.00 O ATOM 1017 CB LYS A 61 18.542 37.245 17.600 1.00 0.00 C ATOM 1018 CG LYS A 61 18.333 36.247 18.725 1.00 0.00 C ATOM 1019 CD LYS A 61 19.441 35.208 18.762 1.00 0.00 C ATOM 1020 CE LYS A 61 19.627 34.639 20.160 1.00 0.00 C ATOM 1021 NZ LYS A 61 20.257 33.291 20.132 1.00 0.00 N ATOM 0 H LYS A 61 18.492 38.679 15.588 1.00 0.00 H new ATOM 0 HA LYS A 61 16.576 36.949 16.780 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.120 36.770 16.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.136 38.080 17.972 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.296 36.774 19.678 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.371 35.750 18.598 1.00 0.00 H new ATOM 0 HD2 LYS A 61 19.207 34.401 18.068 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.374 35.658 18.424 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.246 35.317 20.748 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.660 34.577 20.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 20.366 32.939 21.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 19.654 32.637 19.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.191 33.354 19.680 1.00 0.00 H new ATOM 1035 N ARG A 62 16.521 39.984 17.742 1.00 0.00 N ATOM 1036 CA ARG A 62 15.888 40.951 18.631 1.00 0.00 C ATOM 1037 C ARG A 62 14.377 40.976 18.418 1.00 0.00 C ATOM 1038 O ARG A 62 13.659 41.727 19.080 1.00 0.00 O ATOM 1039 CB ARG A 62 16.470 42.346 18.399 1.00 0.00 C ATOM 1040 CG ARG A 62 16.262 42.866 16.986 1.00 0.00 C ATOM 1041 CD ARG A 62 17.397 43.784 16.558 1.00 0.00 C ATOM 1042 NE ARG A 62 17.466 44.990 17.380 1.00 0.00 N ATOM 1043 CZ ARG A 62 18.368 45.948 17.204 1.00 0.00 C ATOM 1044 NH1 ARG A 62 19.273 45.843 16.240 1.00 0.00 N ATOM 1045 NH2 ARG A 62 18.366 47.016 17.992 1.00 0.00 N ATOM 0 H ARG A 62 16.935 40.391 16.903 1.00 0.00 H new ATOM 0 HA ARG A 62 16.088 40.648 19.659 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.015 43.042 19.104 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.538 42.325 18.616 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.191 42.026 16.295 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.316 43.405 16.931 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.343 43.246 16.624 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.262 44.065 15.513 1.00 0.00 H new ATOM 0 HE ARG A 62 16.784 45.102 18.130 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.277 45.024 15.631 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.965 46.581 16.107 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.671 47.101 18.734 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.060 47.751 17.856 1.00 0.00 H new ATOM 1059 N LEU A 63 13.901 40.153 17.490 1.00 0.00 N ATOM 1060 CA LEU A 63 12.476 40.081 17.189 1.00 0.00 C ATOM 1061 C LEU A 63 11.832 38.885 17.883 1.00 0.00 C ATOM 1062 O LEU A 63 10.625 38.870 18.123 1.00 0.00 O ATOM 1063 CB LEU A 63 12.258 39.986 15.678 1.00 0.00 C ATOM 1064 CG LEU A 63 11.931 41.298 14.963 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.667 41.918 15.539 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.098 42.268 15.068 1.00 0.00 C ATOM 0 H LEU A 63 14.482 39.526 16.933 1.00 0.00 H new ATOM 0 HA LEU A 63 12.005 40.991 17.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.156 39.564 15.227 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.447 39.282 15.492 1.00 0.00 H new ATOM 0 HG LEU A 63 11.758 41.082 13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.449 42.851 15.019 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.833 41.228 15.412 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.812 42.120 16.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.847 43.196 14.554 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.303 42.479 16.118 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.982 41.825 14.608 1.00 0.00 H new ATOM 1078 N ASP A 64 12.647 37.887 18.206 1.00 0.00 N ATOM 1079 CA ASP A 64 12.158 36.687 18.876 1.00 0.00 C ATOM 1080 C ASP A 64 11.352 37.050 20.119 1.00 0.00 C ATOM 1081 O ASP A 64 11.465 38.158 20.642 1.00 0.00 O ATOM 1082 CB ASP A 64 13.327 35.778 19.259 1.00 0.00 C ATOM 1083 CG ASP A 64 14.242 36.414 20.287 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.046 37.607 20.598 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.153 35.718 20.782 1.00 0.00 O ATOM 0 H ASP A 64 13.649 37.885 18.015 1.00 0.00 H new ATOM 0 HA ASP A 64 11.506 36.154 18.184 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.939 34.839 19.654 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.902 35.535 18.366 1.00 0.00 H new ATOM 1090 N GLU A 65 10.537 36.109 20.586 1.00 0.00 N ATOM 1091 CA GLU A 65 9.711 36.331 21.767 1.00 0.00 C ATOM 1092 C GLU A 65 9.016 35.042 22.195 1.00 0.00 C ATOM 1093 O GLU A 65 9.197 33.993 21.578 1.00 0.00 O ATOM 1094 CB GLU A 65 8.669 37.417 21.490 1.00 0.00 C ATOM 1095 CG GLU A 65 7.801 37.133 20.276 1.00 0.00 C ATOM 1096 CD GLU A 65 6.658 38.119 20.132 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.901 39.243 19.646 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.520 37.766 20.506 1.00 0.00 O ATOM 0 H GLU A 65 10.431 35.186 20.165 1.00 0.00 H new ATOM 0 HA GLU A 65 10.362 36.659 22.578 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.029 37.527 22.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.179 38.370 21.347 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.418 37.164 19.378 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.397 36.123 20.351 1.00 0.00 H new ATOM 1105 N TRP A 66 8.222 35.130 23.256 1.00 0.00 N ATOM 1106 CA TRP A 66 7.500 33.971 23.768 1.00 0.00 C ATOM 1107 C TRP A 66 6.038 34.006 23.338 1.00 0.00 C ATOM 1108 O TRP A 66 5.245 34.785 23.866 1.00 0.00 O ATOM 1109 CB TRP A 66 7.594 33.919 25.294 1.00 0.00 C ATOM 1110 CG TRP A 66 9.002 33.822 25.799 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.885 34.850 25.968 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.689 32.631 26.199 1.00 0.00 C ATOM 1113 NE1 TRP A 66 11.079 34.370 26.449 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.984 33.012 26.600 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.335 31.281 26.260 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.925 32.091 27.053 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.270 30.367 26.710 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.551 30.775 27.102 1.00 0.00 C ATOM 0 H TRP A 66 8.062 35.991 23.778 1.00 0.00 H new ATOM 0 HA TRP A 66 7.960 33.075 23.351 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.127 34.811 25.710 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.025 33.063 25.657 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.675 35.888 25.755 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.903 34.934 26.660 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.349 30.957 25.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.914 32.403 27.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.008 29.320 26.760 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.258 30.037 27.450 1.00 0.00 H new ATOM 1129 N ILE A 67 5.688 33.157 22.377 1.00 0.00 N ATOM 1130 CA ILE A 67 4.320 33.091 21.878 1.00 0.00 C ATOM 1131 C ILE A 67 3.564 31.922 22.499 1.00 0.00 C ATOM 1132 O ILE A 67 4.162 31.027 23.097 1.00 0.00 O ATOM 1133 CB ILE A 67 4.287 32.953 20.344 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.028 31.687 19.908 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.896 34.183 19.688 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.732 31.274 18.484 1.00 0.00 C ATOM 0 H ILE A 67 6.333 32.506 21.929 1.00 0.00 H new ATOM 0 HA ILE A 67 3.835 34.025 22.161 1.00 0.00 H new ATOM 0 HB ILE A 67 3.248 32.872 20.023 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.101 31.848 20.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.760 30.870 20.578 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.865 34.070 18.604 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.329 35.068 19.977 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.931 34.293 20.012 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.291 30.370 18.244 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.665 31.080 18.376 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.026 32.074 17.805 1.00 0.00 H new ATOM 1148 N THR A 68 2.242 31.935 22.353 1.00 0.00 N ATOM 1149 CA THR A 68 1.403 30.876 22.899 1.00 0.00 C ATOM 1150 C THR A 68 0.834 29.998 21.790 1.00 0.00 C ATOM 1151 O THR A 68 1.012 30.283 20.605 1.00 0.00 O ATOM 1152 CB THR A 68 0.240 31.452 23.729 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.119 32.747 23.236 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.622 31.551 25.199 1.00 0.00 C ATOM 0 H THR A 68 1.730 32.667 21.861 1.00 0.00 H new ATOM 0 HA THR A 68 2.038 30.272 23.547 1.00 0.00 H new ATOM 0 HB THR A 68 -0.613 30.779 23.636 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.860 33.106 23.768 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.214 31.960 25.766 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.867 30.559 25.579 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.488 32.205 25.307 1.00 0.00 H new ATOM 1162 N THR A 69 0.148 28.929 22.181 1.00 0.00 N ATOM 1163 CA THR A 69 -0.447 28.009 21.220 1.00 0.00 C ATOM 1164 C THR A 69 -1.375 28.743 20.258 1.00 0.00 C ATOM 1165 O THR A 69 -1.383 28.468 19.058 1.00 0.00 O ATOM 1166 CB THR A 69 -1.239 26.893 21.926 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.378 27.447 22.594 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.362 26.160 22.931 1.00 0.00 C ATOM 0 H THR A 69 -0.009 28.679 23.157 1.00 0.00 H new ATOM 0 HA THR A 69 0.375 27.563 20.660 1.00 0.00 H new ATOM 0 HB THR A 69 -1.572 26.181 21.171 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.877 26.730 23.039 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.943 25.376 23.417 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.488 25.714 22.415 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.002 26.864 23.682 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.153 29.678 20.791 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.083 30.453 19.979 1.00 0.00 C ATOM 1178 C ASP A 70 -2.333 31.358 19.007 1.00 0.00 C ATOM 1179 O ASP A 70 -2.920 31.909 18.077 1.00 0.00 O ATOM 1180 CB ASP A 70 -3.998 31.292 20.873 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.134 30.480 21.463 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.000 29.241 21.541 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.157 31.084 21.847 1.00 0.00 O ATOM 0 H ASP A 70 -2.158 29.918 21.782 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.691 29.755 19.403 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.411 31.730 21.680 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.409 32.119 20.293 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.031 31.507 19.231 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.200 32.347 18.376 1.00 0.00 C ATOM 1190 C ARG A 71 0.567 31.502 17.364 1.00 0.00 C ATOM 1191 O ARG A 71 1.325 32.028 16.548 1.00 0.00 O ATOM 1192 CB ARG A 71 0.779 33.162 19.223 1.00 0.00 C ATOM 1193 CG ARG A 71 0.111 34.244 20.055 1.00 0.00 C ATOM 1194 CD ARG A 71 1.070 35.384 20.360 1.00 0.00 C ATOM 1195 NE ARG A 71 0.397 36.506 21.009 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.301 37.425 20.351 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.418 37.355 19.033 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -0.884 38.416 21.013 1.00 0.00 N ATOM 0 H ARG A 71 -0.529 31.057 19.997 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.854 33.029 17.832 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.320 32.488 19.887 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.517 33.624 18.567 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.757 34.631 19.522 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.253 33.814 20.988 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.872 35.021 21.003 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.533 35.725 19.434 1.00 0.00 H new ATOM 0 HE ARG A 71 0.467 36.589 22.023 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.028 36.594 18.521 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.955 38.062 18.530 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.796 38.473 22.028 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.420 39.121 20.507 1.00 0.00 H new ATOM 1212 N ILE A 72 0.365 30.190 17.422 1.00 0.00 N ATOM 1213 CA ILE A 72 1.037 29.273 16.510 1.00 0.00 C ATOM 1214 C ILE A 72 0.116 28.862 15.366 1.00 0.00 C ATOM 1215 O ILE A 72 -1.083 28.671 15.559 1.00 0.00 O ATOM 1216 CB ILE A 72 1.524 28.008 17.241 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.495 28.383 18.362 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.184 27.050 16.260 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.628 27.318 19.429 1.00 0.00 C ATOM 0 H ILE A 72 -0.259 29.738 18.091 1.00 0.00 H new ATOM 0 HA ILE A 72 1.899 29.805 16.107 1.00 0.00 H new ATOM 0 HB ILE A 72 0.663 27.508 17.684 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.477 28.578 17.931 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.160 29.311 18.826 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.523 26.161 16.792 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.465 26.762 15.493 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.038 27.540 15.791 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.332 27.652 20.191 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.655 27.139 19.887 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.992 26.395 18.978 1.00 0.00 H new ATOM 1231 N ASN A 73 0.687 28.726 14.173 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.082 28.336 12.997 1.00 0.00 C ATOM 1233 C ASN A 73 0.091 26.849 12.703 1.00 0.00 C ATOM 1234 O ASN A 73 1.132 26.421 12.202 1.00 0.00 O ATOM 1235 CB ASN A 73 0.349 29.162 11.784 1.00 0.00 C ATOM 1236 CG ASN A 73 0.156 30.650 11.999 1.00 0.00 C ATOM 1237 OD1 ASN A 73 0.614 31.209 12.995 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.526 31.300 11.063 1.00 0.00 N ATOM 0 H ASN A 73 1.680 28.880 13.996 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.135 28.527 13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.398 28.962 11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.223 28.847 10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.688 32.303 11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.888 30.796 10.253 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.936 26.066 13.015 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.898 24.627 12.783 1.00 0.00 C ATOM 1247 C LEU A 74 -1.529 24.275 11.440 1.00 0.00 C ATOM 1248 O LEU A 74 -1.930 23.134 11.211 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.626 23.890 13.909 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.849 23.725 15.216 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.709 23.041 16.266 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.432 22.938 14.978 1.00 0.00 C ATOM 0 H LEU A 74 -1.805 26.404 13.429 1.00 0.00 H new ATOM 0 HA LEU A 74 0.146 24.314 12.767 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.552 24.422 14.125 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.904 22.900 13.548 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.581 24.715 15.585 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.139 22.932 17.189 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.598 23.643 16.457 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.008 22.056 15.906 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.973 22.830 15.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.185 21.951 14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.057 23.468 14.259 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.610 25.262 10.554 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.189 25.056 9.231 1.00 0.00 C ATOM 1266 C ASP A 75 -1.096 24.870 8.184 1.00 0.00 C ATOM 1267 O ASP A 75 -1.332 24.300 7.118 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.080 26.239 8.852 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.101 25.878 7.790 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.755 24.823 7.931 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -4.246 26.649 6.819 1.00 0.00 O ATOM 0 H ASP A 75 -1.282 26.212 10.728 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.795 24.151 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.597 26.600 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.458 27.058 8.490 1.00 0.00 H new ATOM 1276 N LYS A 76 0.102 25.356 8.492 1.00 0.00 N ATOM 1277 CA LYS A 76 1.232 25.244 7.579 1.00 0.00 C ATOM 1278 C LYS A 76 2.146 24.091 7.983 1.00 0.00 C ATOM 1279 O LYS A 76 2.339 23.827 9.169 1.00 0.00 O ATOM 1280 CB LYS A 76 2.026 26.552 7.553 1.00 0.00 C ATOM 1281 CG LYS A 76 1.508 27.558 6.540 1.00 0.00 C ATOM 1282 CD LYS A 76 0.288 28.298 7.062 1.00 0.00 C ATOM 1283 CE LYS A 76 -0.064 29.485 6.179 1.00 0.00 C ATOM 1284 NZ LYS A 76 -1.525 29.771 6.190 1.00 0.00 N ATOM 0 H LYS A 76 0.315 25.832 9.369 1.00 0.00 H new ATOM 0 HA LYS A 76 0.841 25.043 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.001 27.002 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.070 26.329 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.295 28.274 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.254 27.044 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.560 27.615 7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.478 28.643 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.481 30.365 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.259 29.286 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.745 30.483 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.051 28.897 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.801 30.133 7.125 1.00 0.00 H new ATOM 1298 N GLU A 77 2.706 23.409 6.988 1.00 0.00 N ATOM 1299 CA GLU A 77 3.599 22.285 7.242 1.00 0.00 C ATOM 1300 C GLU A 77 4.702 22.677 8.221 1.00 0.00 C ATOM 1301 O GLU A 77 5.150 23.823 8.242 1.00 0.00 O ATOM 1302 CB GLU A 77 4.217 21.790 5.932 1.00 0.00 C ATOM 1303 CG GLU A 77 3.190 21.399 4.884 1.00 0.00 C ATOM 1304 CD GLU A 77 3.819 21.078 3.542 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.190 22.026 2.820 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.939 19.879 3.214 1.00 0.00 O ATOM 0 H GLU A 77 2.557 23.615 6.000 1.00 0.00 H new ATOM 0 HA GLU A 77 3.012 21.481 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.859 22.571 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.854 20.931 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.630 20.532 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.475 22.212 4.761 1.00 0.00 H new ATOM 1313 N VAL A 78 5.134 21.716 9.032 1.00 0.00 N ATOM 1314 CA VAL A 78 6.184 21.959 10.014 1.00 0.00 C ATOM 1315 C VAL A 78 7.519 21.392 9.543 1.00 0.00 C ATOM 1316 O VAL A 78 7.568 20.340 8.906 1.00 0.00 O ATOM 1317 CB VAL A 78 5.829 21.341 11.380 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.965 21.547 12.370 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.533 21.934 11.911 1.00 0.00 C ATOM 0 H VAL A 78 4.773 20.762 9.028 1.00 0.00 H new ATOM 0 HA VAL A 78 6.270 23.040 10.124 1.00 0.00 H new ATOM 0 HB VAL A 78 5.684 20.269 11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.697 21.104 13.329 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.869 21.071 11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.145 22.614 12.501 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.297 21.487 12.876 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.647 23.012 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.725 21.729 11.209 1.00 0.00 H new ATOM 1329 N LEU A 79 8.599 22.096 9.862 1.00 0.00 N ATOM 1330 CA LEU A 79 9.937 21.663 9.472 1.00 0.00 C ATOM 1331 C LEU A 79 10.680 21.058 10.658 1.00 0.00 C ATOM 1332 O LEU A 79 10.774 21.669 11.723 1.00 0.00 O ATOM 1333 CB LEU A 79 10.731 22.842 8.905 1.00 0.00 C ATOM 1334 CG LEU A 79 10.870 22.887 7.383 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.772 21.764 6.896 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.503 22.802 6.720 1.00 0.00 C ATOM 0 H LEU A 79 8.575 22.969 10.389 1.00 0.00 H new ATOM 0 HA LEU A 79 9.835 20.898 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.256 23.766 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.730 22.825 9.341 1.00 0.00 H new ATOM 0 HG LEU A 79 11.327 23.837 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.859 21.812 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.760 21.870 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.345 20.803 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.621 22.835 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.019 21.868 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.889 23.642 7.044 1.00 0.00 H new ATOM 1348 N TYR A 80 11.209 19.855 10.466 1.00 0.00 N ATOM 1349 CA TYR A 80 11.944 19.166 11.520 1.00 0.00 C ATOM 1350 C TYR A 80 13.368 18.849 11.073 1.00 0.00 C ATOM 1351 O TYR A 80 13.667 18.760 9.882 1.00 0.00 O ATOM 1352 CB TYR A 80 11.223 17.877 11.916 1.00 0.00 C ATOM 1353 CG TYR A 80 9.969 18.109 12.728 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.023 18.207 14.113 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.730 18.233 12.111 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.880 18.418 14.859 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.582 18.446 12.849 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.662 18.538 14.223 1.00 0.00 C ATOM 1359 OH TYR A 80 6.521 18.750 14.962 1.00 0.00 O ATOM 0 H TYR A 80 11.143 19.337 9.590 1.00 0.00 H new ATOM 0 HA TYR A 80 11.992 19.827 12.385 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.964 17.324 11.013 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.906 17.250 12.489 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.975 18.117 14.615 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.664 18.162 11.035 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.940 18.489 15.935 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.627 18.540 12.353 1.00 0.00 H new ATOM 0 HH TYR A 80 6.696 18.537 15.902 1.00 0.00 H new ATOM 1369 N PRO A 81 14.269 18.672 12.051 1.00 0.00 N ATOM 1370 CA PRO A 81 15.676 18.361 11.784 1.00 0.00 C ATOM 1371 C PRO A 81 15.863 16.954 11.225 1.00 0.00 C ATOM 1372 O PRO A 81 14.987 16.099 11.362 1.00 0.00 O ATOM 1373 CB PRO A 81 16.333 18.480 13.162 1.00 0.00 C ATOM 1374 CG PRO A 81 15.231 18.220 14.131 1.00 0.00 C ATOM 1375 CD PRO A 81 13.983 18.763 13.493 1.00 0.00 C ATOM 0 HA PRO A 81 16.105 19.025 11.033 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.141 17.758 13.279 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.765 19.470 13.310 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.133 17.154 14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.426 18.710 15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.105 18.178 13.766 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.789 19.791 13.800 1.00 0.00 H new