USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 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 25 CYS SG : rot 118:sc= -0.157 USER MOD Set 1.2: A 80 TYR OH : rot -25:sc= 1.12 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -124:sc= -0.395 (180deg=-1.85!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 45 THR OG1 : rot 61:sc= 0.33 USER MOD Single : A 53 TYR OH : rot -148:sc= 1.16 USER MOD Single : A 55 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.7) USER MOD Single : A 56 TYR OH : rot 15:sc= -1.18 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.41) 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+ -166:sc= 0 (180deg=-0.137) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00456 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 73 ASN : amide:sc= -0.218 K(o=-0.22,f=-5.7!) USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= 0.233 (180deg=-0.0737) USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.810 17.635 6.813 1.00 0.00 N ATOM 174 CA ILE A 11 11.538 16.925 6.758 1.00 0.00 C ATOM 175 C ILE A 11 10.364 17.890 6.875 1.00 0.00 C ATOM 176 O ILE A 11 10.416 18.857 7.634 1.00 0.00 O ATOM 177 CB ILE A 11 11.434 15.869 7.874 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.573 14.854 7.755 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.085 15.168 7.816 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.202 14.494 9.083 1.00 0.00 C ATOM 0 HA ILE A 11 11.498 16.424 5.791 1.00 0.00 H new ATOM 0 HB ILE A 11 11.520 16.371 8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.193 13.947 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.341 15.258 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.027 14.425 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.288 15.901 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.972 14.676 6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.001 13.771 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.612 15.391 9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.446 14.060 9.738 1.00 0.00 H new ATOM 192 N ALA A 12 9.305 17.620 6.119 1.00 0.00 N ATOM 193 CA ALA A 12 8.115 18.462 6.141 1.00 0.00 C ATOM 194 C ALA A 12 6.877 17.654 6.515 1.00 0.00 C ATOM 195 O ALA A 12 6.449 16.773 5.770 1.00 0.00 O ATOM 196 CB ALA A 12 7.920 19.135 4.790 1.00 0.00 C ATOM 0 H ALA A 12 9.247 16.824 5.483 1.00 0.00 H new ATOM 0 HA ALA A 12 8.258 19.230 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.028 19.761 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.789 19.753 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.803 18.374 4.018 1.00 0.00 H new ATOM 202 N LYS A 13 6.306 17.960 7.675 1.00 0.00 N ATOM 203 CA LYS A 13 5.116 17.263 8.150 1.00 0.00 C ATOM 204 C LYS A 13 4.136 18.237 8.795 1.00 0.00 C ATOM 205 O LYS A 13 4.540 19.215 9.424 1.00 0.00 O ATOM 206 CB LYS A 13 5.503 16.174 9.152 1.00 0.00 C ATOM 207 CG LYS A 13 5.886 16.714 10.519 1.00 0.00 C ATOM 208 CD LYS A 13 6.477 15.628 11.403 1.00 0.00 C ATOM 209 CE LYS A 13 7.813 15.138 10.864 1.00 0.00 C ATOM 210 NZ LYS A 13 7.661 13.908 10.039 1.00 0.00 N ATOM 0 H LYS A 13 6.648 18.686 8.304 1.00 0.00 H new ATOM 0 HA LYS A 13 4.629 16.801 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.668 15.482 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.339 15.602 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.608 17.522 10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.007 17.139 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.610 16.012 12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.781 14.792 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.272 15.923 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.488 14.936 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.267 13.155 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.669 13.598 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.941 14.111 9.058 1.00 0.00 H new ATOM 224 N LYS A 14 2.845 17.964 8.635 1.00 0.00 N ATOM 225 CA LYS A 14 1.806 18.814 9.204 1.00 0.00 C ATOM 226 C LYS A 14 1.274 18.225 10.506 1.00 0.00 C ATOM 227 O LYS A 14 0.701 17.135 10.517 1.00 0.00 O ATOM 228 CB LYS A 14 0.660 18.992 8.206 1.00 0.00 C ATOM 229 CG LYS A 14 1.118 19.432 6.826 1.00 0.00 C ATOM 230 CD LYS A 14 -0.057 19.607 5.878 1.00 0.00 C ATOM 231 CE LYS A 14 0.323 19.250 4.449 1.00 0.00 C ATOM 232 NZ LYS A 14 0.205 17.788 4.192 1.00 0.00 N ATOM 0 H LYS A 14 2.493 17.160 8.115 1.00 0.00 H new ATOM 0 HA LYS A 14 2.246 19.788 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.118 18.051 8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.042 19.728 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.665 20.371 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.809 18.694 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.885 18.978 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.406 20.639 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.319 19.793 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.346 19.571 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.473 17.586 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.837 17.270 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.777 17.485 4.353 1.00 0.00 H new ATOM 246 N ILE A 15 1.465 18.953 11.601 1.00 0.00 N ATOM 247 CA ILE A 15 1.000 18.503 12.908 1.00 0.00 C ATOM 248 C ILE A 15 -0.213 19.305 13.366 1.00 0.00 C ATOM 249 O ILE A 15 -0.646 20.237 12.690 1.00 0.00 O ATOM 250 CB ILE A 15 2.110 18.619 13.970 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.589 20.068 14.081 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.269 17.696 13.628 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.275 20.378 15.394 1.00 0.00 C ATOM 0 H ILE A 15 1.938 19.857 11.610 1.00 0.00 H new ATOM 0 HA ILE A 15 0.719 17.455 12.800 1.00 0.00 H new ATOM 0 HB ILE A 15 1.703 18.316 14.935 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.277 20.279 13.262 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.735 20.735 13.960 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.045 17.790 14.388 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.916 16.665 13.595 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.678 17.971 12.656 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.588 21.422 15.403 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.583 20.199 16.217 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.149 19.736 15.509 1.00 0.00 H new ATOM 265 N ASN A 16 -0.757 18.936 14.522 1.00 0.00 N ATOM 266 CA ASN A 16 -1.920 19.622 15.072 1.00 0.00 C ATOM 267 C ASN A 16 -1.789 19.788 16.583 1.00 0.00 C ATOM 268 O ASN A 16 -2.768 20.073 17.274 1.00 0.00 O ATOM 269 CB ASN A 16 -3.198 18.849 14.741 1.00 0.00 C ATOM 270 CG ASN A 16 -3.728 19.173 13.358 1.00 0.00 C ATOM 271 OD1 ASN A 16 -4.549 20.075 13.191 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.259 18.436 12.357 1.00 0.00 N ATOM 0 H ASN A 16 -0.411 18.166 15.095 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.975 20.612 14.619 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.000 17.779 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.962 19.081 15.483 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.579 18.608 11.404 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.579 17.698 12.542 1.00 0.00 H new ATOM 279 N SER A 17 -0.574 19.607 17.090 1.00 0.00 N ATOM 280 CA SER A 17 -0.315 19.733 18.520 1.00 0.00 C ATOM 281 C SER A 17 1.015 20.435 18.771 1.00 0.00 C ATOM 282 O SER A 17 2.036 20.087 18.178 1.00 0.00 O ATOM 283 CB SER A 17 -0.311 18.354 19.182 1.00 0.00 C ATOM 284 OG SER A 17 -1.350 17.538 18.670 1.00 0.00 O ATOM 0 H SER A 17 0.247 19.373 16.532 1.00 0.00 H new ATOM 0 HA SER A 17 -1.111 20.335 18.957 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.651 17.870 19.015 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.429 18.465 20.260 1.00 0.00 H new ATOM 0 HG SER A 17 -1.324 16.662 19.109 1.00 0.00 H new ATOM 290 N VAL A 18 0.996 21.427 19.656 1.00 0.00 N ATOM 291 CA VAL A 18 2.200 22.179 19.988 1.00 0.00 C ATOM 292 C VAL A 18 3.148 21.348 20.846 1.00 0.00 C ATOM 293 O VAL A 18 4.328 21.672 20.978 1.00 0.00 O ATOM 294 CB VAL A 18 1.860 23.482 20.734 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.885 24.323 19.924 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.295 23.175 22.112 1.00 0.00 C ATOM 0 H VAL A 18 0.160 21.728 20.156 1.00 0.00 H new ATOM 0 HA VAL A 18 2.689 22.426 19.045 1.00 0.00 H new ATOM 0 HB VAL A 18 2.778 24.056 20.863 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.657 25.240 20.468 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.332 24.573 18.962 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.034 23.759 19.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.060 24.108 22.625 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.388 22.579 22.009 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.031 22.618 22.691 1.00 0.00 H new ATOM 306 N ASP A 19 2.624 20.274 21.426 1.00 0.00 N ATOM 307 CA ASP A 19 3.423 19.394 22.271 1.00 0.00 C ATOM 308 C ASP A 19 4.559 18.761 21.473 1.00 0.00 C ATOM 309 O ASP A 19 5.668 18.593 21.981 1.00 0.00 O ATOM 310 CB ASP A 19 2.544 18.303 22.884 1.00 0.00 C ATOM 311 CG ASP A 19 3.351 17.266 23.640 1.00 0.00 C ATOM 312 OD1 ASP A 19 3.692 17.520 24.814 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.640 16.200 23.058 1.00 0.00 O ATOM 0 H ASP A 19 1.649 19.992 21.326 1.00 0.00 H new ATOM 0 HA ASP A 19 3.855 19.994 23.072 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.821 18.760 23.560 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.976 17.812 22.094 1.00 0.00 H new ATOM 318 N ASP A 20 4.275 18.411 20.224 1.00 0.00 N ATOM 319 CA ASP A 20 5.272 17.796 19.356 1.00 0.00 C ATOM 320 C ASP A 20 6.164 18.856 18.716 1.00 0.00 C ATOM 321 O ASP A 20 6.286 18.921 17.493 1.00 0.00 O ATOM 322 CB ASP A 20 4.591 16.962 18.270 1.00 0.00 C ATOM 323 CG ASP A 20 4.239 15.566 18.748 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.399 15.446 19.664 1.00 0.00 O ATOM 325 OD2 ASP A 20 4.803 14.594 18.204 1.00 0.00 O ATOM 0 H ASP A 20 3.362 18.543 19.789 1.00 0.00 H new ATOM 0 HA ASP A 20 5.895 17.143 19.967 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.684 17.470 17.941 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.249 16.891 17.404 1.00 0.00 H new ATOM 330 N ILE A 21 6.783 19.683 19.551 1.00 0.00 N ATOM 331 CA ILE A 21 7.662 20.740 19.066 1.00 0.00 C ATOM 332 C ILE A 21 9.029 20.669 19.738 1.00 0.00 C ATOM 333 O ILE A 21 9.133 20.360 20.926 1.00 0.00 O ATOM 334 CB ILE A 21 7.055 22.134 19.310 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.745 22.287 18.534 1.00 0.00 C ATOM 336 CG2 ILE A 21 8.043 23.220 18.911 1.00 0.00 C ATOM 337 CD1 ILE A 21 5.020 23.583 18.822 1.00 0.00 C ATOM 0 H ILE A 21 6.692 19.642 20.566 1.00 0.00 H new ATOM 0 HA ILE A 21 7.778 20.586 17.993 1.00 0.00 H new ATOM 0 HB ILE A 21 6.840 22.239 20.373 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.956 22.227 17.466 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.089 21.451 18.777 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.599 24.199 19.089 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.952 23.120 19.504 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.287 23.119 17.853 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.101 23.623 18.238 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.778 23.636 19.883 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.658 24.425 18.553 1.00 0.00 H new ATOM 349 N ILE A 22 10.075 20.958 18.971 1.00 0.00 N ATOM 350 CA ILE A 22 11.436 20.929 19.493 1.00 0.00 C ATOM 351 C ILE A 22 12.179 22.218 19.161 1.00 0.00 C ATOM 352 O ILE A 22 11.617 23.133 18.559 1.00 0.00 O ATOM 353 CB ILE A 22 12.229 19.733 18.933 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.102 19.679 17.410 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.740 18.435 19.558 1.00 0.00 C ATOM 356 CD1 ILE A 22 12.995 18.641 16.766 1.00 0.00 C ATOM 0 H ILE A 22 10.006 21.215 17.986 1.00 0.00 H new ATOM 0 HA ILE A 22 11.357 20.826 20.575 1.00 0.00 H new ATOM 0 HB ILE A 22 13.281 19.861 19.187 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.065 19.468 17.147 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.342 20.659 16.998 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.310 17.599 19.153 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.877 18.477 20.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.683 18.298 19.331 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.853 18.659 15.685 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.037 18.862 16.999 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.740 17.653 17.149 1.00 0.00 H new ATOM 368 N ILE A 23 13.446 22.283 19.556 1.00 0.00 N ATOM 369 CA ILE A 23 14.268 23.459 19.297 1.00 0.00 C ATOM 370 C ILE A 23 14.647 23.551 17.823 1.00 0.00 C ATOM 371 O ILE A 23 14.900 24.637 17.302 1.00 0.00 O ATOM 372 CB ILE A 23 15.552 23.446 20.147 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.207 23.536 21.635 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.467 24.591 19.740 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.860 22.201 22.256 1.00 0.00 C ATOM 0 H ILE A 23 13.926 21.535 20.057 1.00 0.00 H new ATOM 0 HA ILE A 23 13.670 24.329 19.570 1.00 0.00 H new ATOM 0 HB ILE A 23 16.076 22.507 19.972 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.053 23.968 22.170 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.366 24.217 21.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.370 24.569 20.349 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.736 24.486 18.689 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.951 25.540 19.890 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.626 22.340 23.312 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.995 21.776 21.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.708 21.523 22.158 1.00 0.00 H new ATOM 387 N LYS A 24 14.683 22.403 17.155 1.00 0.00 N ATOM 388 CA LYS A 24 15.028 22.352 15.739 1.00 0.00 C ATOM 389 C LYS A 24 13.775 22.395 14.871 1.00 0.00 C ATOM 390 O LYS A 24 13.851 22.279 13.648 1.00 0.00 O ATOM 391 CB LYS A 24 15.830 21.085 15.433 1.00 0.00 C ATOM 392 CG LYS A 24 17.090 20.945 16.270 1.00 0.00 C ATOM 393 CD LYS A 24 18.013 22.138 16.090 1.00 0.00 C ATOM 394 CE LYS A 24 18.540 22.226 14.666 1.00 0.00 C ATOM 395 NZ LYS A 24 19.686 23.170 14.556 1.00 0.00 N ATOM 0 H LYS A 24 14.477 21.495 17.572 1.00 0.00 H new ATOM 0 HA LYS A 24 15.638 23.225 15.509 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.195 20.215 15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.103 21.084 14.378 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.821 20.847 17.322 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.615 20.032 15.989 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.477 23.054 16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.850 22.060 16.784 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.852 21.236 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.739 22.549 14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.016 23.202 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.382 24.120 14.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.461 22.848 15.171 1.00 0.00 H new ATOM 409 N CYS A 25 12.623 22.564 15.512 1.00 0.00 N ATOM 410 CA CYS A 25 11.353 22.624 14.798 1.00 0.00 C ATOM 411 C CYS A 25 11.060 24.044 14.327 1.00 0.00 C ATOM 412 O CYS A 25 11.307 25.010 15.048 1.00 0.00 O ATOM 413 CB CYS A 25 10.217 22.126 15.693 1.00 0.00 C ATOM 414 SG CYS A 25 8.563 22.498 15.064 1.00 0.00 S ATOM 0 H CYS A 25 12.543 22.662 16.524 1.00 0.00 H new ATOM 0 HA CYS A 25 11.426 21.979 13.923 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.313 21.047 15.817 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.326 22.571 16.682 1.00 0.00 H new ATOM 0 HG CYS A 25 7.927 21.388 14.832 1.00 0.00 H new ATOM 420 N GLN A 26 10.533 24.163 13.112 1.00 0.00 N ATOM 421 CA GLN A 26 10.209 25.466 12.544 1.00 0.00 C ATOM 422 C GLN A 26 8.744 25.528 12.123 1.00 0.00 C ATOM 423 O GLN A 26 8.264 24.666 11.385 1.00 0.00 O ATOM 424 CB GLN A 26 11.110 25.761 11.344 1.00 0.00 C ATOM 425 CG GLN A 26 12.587 25.841 11.697 1.00 0.00 C ATOM 426 CD GLN A 26 13.480 25.835 10.473 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.449 25.078 10.400 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.160 26.682 9.501 1.00 0.00 N ATOM 0 H GLN A 26 10.322 23.373 12.503 1.00 0.00 H new ATOM 0 HA GLN A 26 10.379 26.221 13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.966 24.985 10.593 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.802 26.703 10.892 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.771 26.749 12.272 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.850 24.999 12.338 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.349 27.292 9.602 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.726 26.723 8.653 1.00 0.00 H new ATOM 437 N CYS A 27 8.040 26.549 12.596 1.00 0.00 N ATOM 438 CA CYS A 27 6.629 26.722 12.270 1.00 0.00 C ATOM 439 C CYS A 27 6.347 28.151 11.817 1.00 0.00 C ATOM 440 O CYS A 27 7.269 28.939 11.607 1.00 0.00 O ATOM 441 CB CYS A 27 5.758 26.376 13.478 1.00 0.00 C ATOM 442 SG CYS A 27 5.960 27.499 14.880 1.00 0.00 S ATOM 0 H CYS A 27 8.423 27.270 13.207 1.00 0.00 H new ATOM 0 HA CYS A 27 6.386 26.045 11.451 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.712 26.380 13.171 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.991 25.362 13.802 1.00 0.00 H new ATOM 0 HG CYS A 27 5.181 27.125 15.851 1.00 0.00 H new ATOM 448 N TRP A 28 5.068 28.477 11.667 1.00 0.00 N ATOM 449 CA TRP A 28 4.665 29.811 11.237 1.00 0.00 C ATOM 450 C TRP A 28 3.847 30.507 12.319 1.00 0.00 C ATOM 451 O TRP A 28 3.060 29.873 13.021 1.00 0.00 O ATOM 452 CB TRP A 28 3.855 29.729 9.942 1.00 0.00 C ATOM 453 CG TRP A 28 4.673 29.320 8.755 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.125 28.064 8.465 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.136 30.169 7.700 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.843 28.082 7.293 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.863 29.362 6.804 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.007 31.533 7.424 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.458 29.875 5.654 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.597 32.041 6.283 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.315 31.214 5.409 1.00 0.00 C ATOM 0 H TRP A 28 4.293 27.836 11.837 1.00 0.00 H new ATOM 0 HA TRP A 28 5.567 30.396 11.057 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.041 29.017 10.076 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.401 30.700 9.744 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.945 27.186 9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.288 27.274 6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.456 32.179 8.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.012 29.239 4.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.503 33.094 6.061 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.764 31.641 4.525 1.00 0.00 H new ATOM 472 N VAL A 29 4.039 31.816 12.450 1.00 0.00 N ATOM 473 CA VAL A 29 3.318 32.599 13.446 1.00 0.00 C ATOM 474 C VAL A 29 2.509 33.712 12.790 1.00 0.00 C ATOM 475 O VAL A 29 2.932 34.294 11.792 1.00 0.00 O ATOM 476 CB VAL A 29 4.281 33.219 14.477 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.506 33.980 15.542 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.151 32.142 15.107 1.00 0.00 C ATOM 0 H VAL A 29 4.688 32.356 11.878 1.00 0.00 H new ATOM 0 HA VAL A 29 2.641 31.914 13.957 1.00 0.00 H new ATOM 0 HB VAL A 29 4.932 33.925 13.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.203 34.411 16.261 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.930 34.777 15.073 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.829 33.298 16.057 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.825 32.597 15.833 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.518 31.410 15.609 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.734 31.646 14.331 1.00 0.00 H new ATOM 488 N GLN A 30 1.344 34.003 13.360 1.00 0.00 N ATOM 489 CA GLN A 30 0.474 35.047 12.829 1.00 0.00 C ATOM 490 C GLN A 30 0.874 36.415 13.370 1.00 0.00 C ATOM 491 O GLN A 30 0.800 36.665 14.574 1.00 0.00 O ATOM 492 CB GLN A 30 -0.985 34.752 13.182 1.00 0.00 C ATOM 493 CG GLN A 30 -1.967 35.752 12.592 1.00 0.00 C ATOM 494 CD GLN A 30 -3.289 35.778 13.333 1.00 0.00 C ATOM 495 OE1 GLN A 30 -4.336 35.459 12.769 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.247 36.160 14.604 1.00 0.00 N ATOM 0 H GLN A 30 0.981 33.531 14.188 1.00 0.00 H new ATOM 0 HA GLN A 30 0.583 35.060 11.744 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.241 33.753 12.830 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.094 34.745 14.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.523 36.747 12.613 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.146 35.505 11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.356 36.416 15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.105 36.198 15.154 1.00 0.00 H new ATOM 505 N LYS A 31 1.300 37.299 12.474 1.00 0.00 N ATOM 506 CA LYS A 31 1.712 38.643 12.860 1.00 0.00 C ATOM 507 C LYS A 31 1.292 39.664 11.808 1.00 0.00 C ATOM 508 O LYS A 31 1.439 39.431 10.609 1.00 0.00 O ATOM 509 CB LYS A 31 3.228 38.697 13.062 1.00 0.00 C ATOM 510 CG LYS A 31 3.723 37.813 14.193 1.00 0.00 C ATOM 511 CD LYS A 31 3.299 38.353 15.549 1.00 0.00 C ATOM 512 CE LYS A 31 4.225 39.463 16.021 1.00 0.00 C ATOM 513 NZ LYS A 31 4.219 39.597 17.504 1.00 0.00 N ATOM 0 H LYS A 31 1.369 37.108 11.474 1.00 0.00 H new ATOM 0 HA LYS A 31 1.218 38.891 13.799 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.720 38.398 12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.523 39.727 13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.333 36.803 14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.810 37.743 14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.278 38.730 15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.297 37.544 16.280 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.240 39.260 15.679 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.920 40.407 15.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.862 40.364 17.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.256 39.816 17.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.535 38.704 17.934 1.00 0.00 H new ATOM 527 N ASN A 32 0.769 40.798 12.265 1.00 0.00 N ATOM 528 CA ASN A 32 0.328 41.855 11.362 1.00 0.00 C ATOM 529 C ASN A 32 -0.632 41.307 10.311 1.00 0.00 C ATOM 530 O ASN A 32 -0.453 41.534 9.114 1.00 0.00 O ATOM 531 CB ASN A 32 1.533 42.506 10.679 1.00 0.00 C ATOM 532 CG ASN A 32 2.250 43.489 11.585 1.00 0.00 C ATOM 533 OD1 ASN A 32 2.025 43.512 12.795 1.00 0.00 O ATOM 534 ND2 ASN A 32 3.117 44.307 11.000 1.00 0.00 N ATOM 0 H ASN A 32 0.640 41.008 13.255 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.197 42.607 11.951 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.231 41.731 10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.202 43.022 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.629 44.991 11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.271 44.252 9.993 1.00 0.00 H new ATOM 541 N ASP A 33 -1.650 40.587 10.766 1.00 0.00 N ATOM 542 CA ASP A 33 -2.641 40.008 9.865 1.00 0.00 C ATOM 543 C ASP A 33 -1.965 39.195 8.765 1.00 0.00 C ATOM 544 O ASP A 33 -2.503 39.050 7.669 1.00 0.00 O ATOM 545 CB ASP A 33 -3.503 41.108 9.246 1.00 0.00 C ATOM 546 CG ASP A 33 -4.767 40.564 8.610 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.313 39.570 9.132 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.210 41.132 7.589 1.00 0.00 O ATOM 0 H ASP A 33 -1.812 40.390 11.754 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.279 39.341 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.770 41.833 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.922 41.641 8.494 1.00 0.00 H new ATOM 553 N GLU A 34 -0.783 38.667 9.068 1.00 0.00 N ATOM 554 CA GLU A 34 -0.033 37.871 8.103 1.00 0.00 C ATOM 555 C GLU A 34 0.629 36.675 8.782 1.00 0.00 C ATOM 556 O GLU A 34 0.490 36.479 9.989 1.00 0.00 O ATOM 557 CB GLU A 34 1.027 38.730 7.412 1.00 0.00 C ATOM 558 CG GLU A 34 0.481 39.566 6.267 1.00 0.00 C ATOM 559 CD GLU A 34 1.246 40.862 6.074 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.422 40.925 6.489 1.00 0.00 O ATOM 561 OE2 GLU A 34 0.667 41.813 5.507 1.00 0.00 O ATOM 0 H GLU A 34 -0.325 38.776 9.973 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.733 37.501 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.483 39.392 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.817 38.082 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.521 38.984 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.568 39.793 6.456 1.00 0.00 H new ATOM 568 N GLU A 35 1.348 35.880 7.997 1.00 0.00 N ATOM 569 CA GLU A 35 2.030 34.703 8.523 1.00 0.00 C ATOM 570 C GLU A 35 3.512 34.725 8.159 1.00 0.00 C ATOM 571 O GLU A 35 3.873 34.846 6.988 1.00 0.00 O ATOM 572 CB GLU A 35 1.381 33.426 7.983 1.00 0.00 C ATOM 573 CG GLU A 35 1.151 33.448 6.482 1.00 0.00 C ATOM 574 CD GLU A 35 -0.318 33.363 6.116 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.064 32.649 6.819 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.723 34.009 5.127 1.00 0.00 O ATOM 0 H GLU A 35 1.474 36.029 6.996 1.00 0.00 H new ATOM 0 HA GLU A 35 1.939 34.718 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.013 32.574 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.426 33.273 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.573 34.363 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.685 32.615 6.024 1.00 0.00 H new ATOM 583 N ARG A 36 4.366 34.610 9.171 1.00 0.00 N ATOM 584 CA ARG A 36 5.808 34.619 8.960 1.00 0.00 C ATOM 585 C ARG A 36 6.443 33.337 9.490 1.00 0.00 C ATOM 586 O ARG A 36 5.963 32.748 10.460 1.00 0.00 O ATOM 587 CB ARG A 36 6.438 35.834 9.643 1.00 0.00 C ATOM 588 CG ARG A 36 5.679 37.129 9.403 1.00 0.00 C ATOM 589 CD ARG A 36 6.612 38.249 8.970 1.00 0.00 C ATOM 590 NE ARG A 36 6.575 38.465 7.526 1.00 0.00 N ATOM 591 CZ ARG A 36 7.539 39.081 6.850 1.00 0.00 C ATOM 592 NH1 ARG A 36 8.610 39.537 7.484 1.00 0.00 N ATOM 593 NH2 ARG A 36 7.433 39.239 5.537 1.00 0.00 N ATOM 0 H ARG A 36 4.083 34.509 10.146 1.00 0.00 H new ATOM 0 HA ARG A 36 5.992 34.679 7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.494 35.649 10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.461 35.951 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.919 36.970 8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.157 37.421 10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.334 39.170 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.631 38.010 9.275 1.00 0.00 H new ATOM 0 HE ARG A 36 5.765 38.124 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.696 39.415 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.349 40.009 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.611 38.888 5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.173 39.712 5.019 1.00 0.00 H new ATOM 607 N LEU A 37 7.525 32.910 8.849 1.00 0.00 N ATOM 608 CA LEU A 37 8.227 31.697 9.256 1.00 0.00 C ATOM 609 C LEU A 37 9.026 31.933 10.533 1.00 0.00 C ATOM 610 O LEU A 37 10.030 32.645 10.527 1.00 0.00 O ATOM 611 CB LEU A 37 9.158 31.224 8.138 1.00 0.00 C ATOM 612 CG LEU A 37 9.794 29.847 8.333 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.939 28.768 7.687 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.205 29.826 7.761 1.00 0.00 C ATOM 0 H LEU A 37 7.936 33.385 8.045 1.00 0.00 H new ATOM 0 HA LEU A 37 7.483 30.925 9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.596 31.214 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.956 31.958 8.022 1.00 0.00 H new ATOM 0 HG LEU A 37 9.853 29.643 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.407 27.795 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.949 28.768 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.847 28.967 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.643 28.839 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.169 30.052 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.815 30.573 8.269 1.00 0.00 H new ATOM 626 N ALA A 38 8.575 31.329 11.628 1.00 0.00 N ATOM 627 CA ALA A 38 9.251 31.470 12.912 1.00 0.00 C ATOM 628 C ALA A 38 9.898 30.157 13.338 1.00 0.00 C ATOM 629 O ALA A 38 9.294 29.091 13.225 1.00 0.00 O ATOM 630 CB ALA A 38 8.271 31.947 13.974 1.00 0.00 C ATOM 0 H ALA A 38 7.744 30.737 11.651 1.00 0.00 H new ATOM 0 HA ALA A 38 10.040 32.214 12.800 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.789 32.048 14.928 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.858 32.912 13.681 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.463 31.223 14.075 1.00 0.00 H new ATOM 636 N GLU A 39 11.131 30.242 13.828 1.00 0.00 N ATOM 637 CA GLU A 39 11.860 29.059 14.270 1.00 0.00 C ATOM 638 C GLU A 39 11.794 28.914 15.788 1.00 0.00 C ATOM 639 O GLU A 39 11.820 29.905 16.518 1.00 0.00 O ATOM 640 CB GLU A 39 13.320 29.134 13.817 1.00 0.00 C ATOM 641 CG GLU A 39 14.201 28.053 14.422 1.00 0.00 C ATOM 642 CD GLU A 39 15.494 27.858 13.654 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.050 28.861 13.161 1.00 0.00 O ATOM 644 OE2 GLU A 39 15.950 26.700 13.546 1.00 0.00 O ATOM 0 H GLU A 39 11.645 31.117 13.929 1.00 0.00 H new ATOM 0 HA GLU A 39 11.391 28.185 13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.359 29.057 12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.724 30.111 14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.432 28.313 15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.651 27.112 14.446 1.00 0.00 H new ATOM 651 N ILE A 40 11.708 27.673 16.254 1.00 0.00 N ATOM 652 CA ILE A 40 11.638 27.398 17.684 1.00 0.00 C ATOM 653 C ILE A 40 13.023 27.449 18.322 1.00 0.00 C ATOM 654 O ILE A 40 14.009 27.012 17.726 1.00 0.00 O ATOM 655 CB ILE A 40 11.007 26.021 17.963 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.635 25.920 17.293 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.890 25.786 19.461 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.602 26.850 17.889 1.00 0.00 C ATOM 0 H ILE A 40 11.685 26.842 15.663 1.00 0.00 H new ATOM 0 HA ILE A 40 11.009 28.172 18.124 1.00 0.00 H new ATOM 0 HB ILE A 40 11.653 25.250 17.544 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.741 26.141 16.231 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.276 24.894 17.371 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.442 24.809 19.642 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.881 25.820 19.913 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.263 26.560 19.903 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.654 26.725 17.365 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.467 26.615 18.945 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.939 27.882 17.787 1.00 0.00 H new ATOM 670 N LEU A 41 13.090 27.983 19.536 1.00 0.00 N ATOM 671 CA LEU A 41 14.353 28.089 20.257 1.00 0.00 C ATOM 672 C LEU A 41 14.339 27.221 21.512 1.00 0.00 C ATOM 673 O LEU A 41 15.251 26.427 21.740 1.00 0.00 O ATOM 674 CB LEU A 41 14.628 29.545 20.633 1.00 0.00 C ATOM 675 CG LEU A 41 14.909 30.498 19.471 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.915 29.885 18.510 1.00 0.00 C ATOM 677 CD2 LEU A 41 13.618 30.846 18.743 1.00 0.00 C ATOM 0 H LEU A 41 12.284 28.350 20.042 1.00 0.00 H new ATOM 0 HA LEU A 41 15.148 27.734 19.601 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.770 29.924 21.188 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.481 29.569 21.311 1.00 0.00 H new ATOM 0 HG LEU A 41 15.335 31.417 19.874 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.103 30.577 17.689 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.848 29.686 19.038 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.517 28.951 18.113 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.837 31.525 17.919 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.164 29.935 18.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.928 31.327 19.436 1.00 0.00 H new ATOM 689 N SER A 42 13.296 27.378 22.321 1.00 0.00 N ATOM 690 CA SER A 42 13.164 26.610 23.554 1.00 0.00 C ATOM 691 C SER A 42 11.695 26.409 23.913 1.00 0.00 C ATOM 692 O SER A 42 10.810 27.027 23.320 1.00 0.00 O ATOM 693 CB SER A 42 13.889 27.316 24.700 1.00 0.00 C ATOM 694 OG SER A 42 14.740 26.421 25.394 1.00 0.00 O ATOM 0 H SER A 42 12.531 28.029 22.145 1.00 0.00 H new ATOM 0 HA SER A 42 13.619 25.632 23.395 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.474 28.148 24.307 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.159 27.738 25.391 1.00 0.00 H new ATOM 0 HG SER A 42 15.193 26.898 26.121 1.00 0.00 H new ATOM 700 N ILE A 43 11.444 25.542 24.888 1.00 0.00 N ATOM 701 CA ILE A 43 10.083 25.260 25.327 1.00 0.00 C ATOM 702 C ILE A 43 9.917 25.541 26.817 1.00 0.00 C ATOM 703 O ILE A 43 10.831 25.310 27.608 1.00 0.00 O ATOM 704 CB ILE A 43 9.692 23.797 25.046 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.905 23.465 23.567 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.245 23.549 25.447 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.680 22.006 23.238 1.00 0.00 C ATOM 0 H ILE A 43 12.165 25.023 25.389 1.00 0.00 H new ATOM 0 HA ILE A 43 9.426 25.919 24.759 1.00 0.00 H new ATOM 0 HB ILE A 43 10.330 23.145 25.642 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.230 24.073 22.965 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.921 23.741 23.283 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.984 22.511 25.242 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.123 23.751 26.511 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.591 24.207 24.875 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.848 21.843 22.173 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.373 21.392 23.813 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.656 21.730 23.490 1.00 0.00 H new ATOM 719 N ASN A 44 8.744 26.039 27.193 1.00 0.00 N ATOM 720 CA ASN A 44 8.457 26.351 28.588 1.00 0.00 C ATOM 721 C ASN A 44 7.048 25.904 28.967 1.00 0.00 C ATOM 722 O ASN A 44 6.065 26.576 28.651 1.00 0.00 O ATOM 723 CB ASN A 44 8.614 27.852 28.840 1.00 0.00 C ATOM 724 CG ASN A 44 8.545 28.201 30.314 1.00 0.00 C ATOM 725 OD1 ASN A 44 9.073 27.479 31.160 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.892 29.314 30.629 1.00 0.00 N ATOM 0 H ASN A 44 7.976 26.235 26.551 1.00 0.00 H new ATOM 0 HA ASN A 44 9.170 25.809 29.209 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.568 28.188 28.434 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.832 28.391 28.305 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.813 29.600 31.605 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.470 29.883 29.895 1.00 0.00 H new ATOM 733 N THR A 45 6.957 24.766 29.647 1.00 0.00 N ATOM 734 CA THR A 45 5.669 24.229 30.069 1.00 0.00 C ATOM 735 C THR A 45 5.393 24.550 31.533 1.00 0.00 C ATOM 736 O THR A 45 5.309 23.652 32.371 1.00 0.00 O ATOM 737 CB THR A 45 5.604 22.703 29.869 1.00 0.00 C ATOM 738 OG1 THR A 45 6.680 22.070 30.572 1.00 0.00 O ATOM 739 CG2 THR A 45 5.678 22.347 28.392 1.00 0.00 C ATOM 0 H THR A 45 7.760 24.198 29.918 1.00 0.00 H new ATOM 0 HA THR A 45 4.910 24.702 29.446 1.00 0.00 H new ATOM 0 HB THR A 45 4.653 22.347 30.265 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.603 22.262 31.530 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.630 21.264 28.276 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.841 22.806 27.865 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.615 22.716 27.975 1.00 0.00 H new ATOM 747 N ARG A 46 5.251 25.837 31.835 1.00 0.00 N ATOM 748 CA ARG A 46 4.984 26.276 33.199 1.00 0.00 C ATOM 749 C ARG A 46 3.630 26.974 33.290 1.00 0.00 C ATOM 750 O ARG A 46 3.288 27.558 34.319 1.00 0.00 O ATOM 751 CB ARG A 46 6.088 27.219 33.680 1.00 0.00 C ATOM 752 CG ARG A 46 7.313 26.498 34.219 1.00 0.00 C ATOM 753 CD ARG A 46 8.065 27.354 35.226 1.00 0.00 C ATOM 754 NE ARG A 46 9.495 27.056 35.238 1.00 0.00 N ATOM 755 CZ ARG A 46 10.018 25.988 35.831 1.00 0.00 C ATOM 756 NH1 ARG A 46 9.233 25.122 36.456 1.00 0.00 N ATOM 757 NH2 ARG A 46 11.329 25.785 35.798 1.00 0.00 N ATOM 0 H ARG A 46 5.316 26.593 31.153 1.00 0.00 H new ATOM 0 HA ARG A 46 4.964 25.394 33.840 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.390 27.863 32.854 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.687 27.867 34.459 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.009 25.563 34.690 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.976 26.238 33.394 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.916 28.407 34.989 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.652 27.190 36.221 1.00 0.00 H new ATOM 0 HE ARG A 46 10.126 27.703 34.765 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.225 25.275 36.483 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.637 24.303 36.910 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.936 26.449 35.317 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.730 24.965 36.253 1.00 0.00 H new ATOM 771 N LYS A 47 2.863 26.909 32.207 1.00 0.00 N ATOM 772 CA LYS A 47 1.546 27.533 32.164 1.00 0.00 C ATOM 773 C LYS A 47 0.546 26.643 31.431 1.00 0.00 C ATOM 774 O LYS A 47 0.905 25.586 30.914 1.00 0.00 O ATOM 775 CB LYS A 47 1.628 28.898 31.477 1.00 0.00 C ATOM 776 CG LYS A 47 1.422 30.068 32.423 1.00 0.00 C ATOM 777 CD LYS A 47 1.838 31.382 31.784 1.00 0.00 C ATOM 778 CE LYS A 47 0.649 32.105 31.169 1.00 0.00 C ATOM 779 NZ LYS A 47 0.791 33.584 31.260 1.00 0.00 N ATOM 0 H LYS A 47 3.131 26.430 31.347 1.00 0.00 H new ATOM 0 HA LYS A 47 1.202 27.669 33.189 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.602 28.996 30.998 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.878 28.944 30.687 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.373 30.120 32.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.999 29.907 33.334 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.305 32.020 32.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.587 31.193 31.015 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.548 31.814 30.124 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.265 31.796 31.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.085 34.039 30.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.641 33.887 32.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.746 33.861 30.954 1.00 0.00 H new ATOM 793 N ALA A 48 -0.709 27.079 31.391 1.00 0.00 N ATOM 794 CA ALA A 48 -1.759 26.324 30.719 1.00 0.00 C ATOM 795 C ALA A 48 -2.703 27.251 29.961 1.00 0.00 C ATOM 796 O ALA A 48 -3.540 27.938 30.547 1.00 0.00 O ATOM 797 CB ALA A 48 -2.534 25.487 31.726 1.00 0.00 C ATOM 0 H ALA A 48 -1.023 27.951 31.816 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.288 25.658 29.996 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.315 24.928 31.210 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.856 24.791 32.219 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.987 26.141 32.471 1.00 0.00 H new ATOM 803 N PRO A 49 -2.566 27.273 28.627 1.00 0.00 N ATOM 804 CA PRO A 49 -1.573 26.461 27.919 1.00 0.00 C ATOM 805 C PRO A 49 -0.147 26.939 28.171 1.00 0.00 C ATOM 806 O PRO A 49 0.085 28.039 28.674 1.00 0.00 O ATOM 807 CB PRO A 49 -1.946 26.647 26.446 1.00 0.00 C ATOM 808 CG PRO A 49 -2.646 27.961 26.396 1.00 0.00 C ATOM 809 CD PRO A 49 -3.371 28.094 27.707 1.00 0.00 C ATOM 0 HA PRO A 49 -1.587 25.422 28.249 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.061 26.646 25.810 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.591 25.841 26.096 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.936 28.776 26.258 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.343 28.000 25.559 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.422 29.132 28.035 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.397 27.731 27.638 1.00 0.00 H new ATOM 817 N PRO A 50 0.833 26.095 27.814 1.00 0.00 N ATOM 818 CA PRO A 50 2.253 26.411 27.992 1.00 0.00 C ATOM 819 C PRO A 50 2.725 27.513 27.048 1.00 0.00 C ATOM 820 O PRO A 50 1.933 28.082 26.296 1.00 0.00 O ATOM 821 CB PRO A 50 2.954 25.091 27.664 1.00 0.00 C ATOM 822 CG PRO A 50 2.010 24.375 26.761 1.00 0.00 C ATOM 823 CD PRO A 50 0.630 24.768 27.209 1.00 0.00 C ATOM 0 HA PRO A 50 2.464 26.785 28.994 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.914 25.263 27.177 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.153 24.514 28.567 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.177 24.655 25.721 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.149 23.296 26.827 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.067 24.810 26.372 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.223 24.057 27.928 1.00 0.00 H new ATOM 831 N LYS A 51 4.019 27.809 27.092 1.00 0.00 N ATOM 832 CA LYS A 51 4.597 28.842 26.240 1.00 0.00 C ATOM 833 C LYS A 51 5.798 28.302 25.469 1.00 0.00 C ATOM 834 O LYS A 51 6.409 27.311 25.868 1.00 0.00 O ATOM 835 CB LYS A 51 5.019 30.049 27.081 1.00 0.00 C ATOM 836 CG LYS A 51 3.908 31.064 27.288 1.00 0.00 C ATOM 837 CD LYS A 51 4.462 32.428 27.663 1.00 0.00 C ATOM 838 CE LYS A 51 3.485 33.541 27.316 1.00 0.00 C ATOM 839 NZ LYS A 51 2.393 33.655 28.323 1.00 0.00 N ATOM 0 H LYS A 51 4.688 27.348 27.709 1.00 0.00 H new ATOM 0 HA LYS A 51 3.837 29.154 25.523 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.367 29.700 28.053 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.863 30.541 26.598 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.317 31.149 26.376 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.236 30.715 28.072 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.679 32.453 28.731 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.405 32.595 27.142 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.021 34.488 27.253 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.054 33.352 26.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.749 34.424 28.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.865 32.760 28.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.802 33.860 29.257 1.00 0.00 H new ATOM 853 N PHE A 52 6.131 28.961 24.364 1.00 0.00 N ATOM 854 CA PHE A 52 7.259 28.547 23.538 1.00 0.00 C ATOM 855 C PHE A 52 8.037 29.759 23.034 1.00 0.00 C ATOM 856 O PHE A 52 7.476 30.840 22.853 1.00 0.00 O ATOM 857 CB PHE A 52 6.770 27.712 22.352 1.00 0.00 C ATOM 858 CG PHE A 52 5.993 26.493 22.758 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.666 26.597 23.142 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.590 25.242 22.755 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.949 25.476 23.516 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.878 24.118 23.128 1.00 0.00 C ATOM 863 CZ PHE A 52 4.555 24.235 23.508 1.00 0.00 C ATOM 0 H PHE A 52 5.636 29.784 24.020 1.00 0.00 H new ATOM 0 HA PHE A 52 7.924 27.940 24.152 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.145 28.335 21.712 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.629 27.404 21.756 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.186 27.565 23.149 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.624 25.145 22.458 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.915 25.571 23.814 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.355 23.149 23.122 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.996 23.358 23.798 1.00 0.00 H new ATOM 873 N TYR A 53 9.333 29.571 22.811 1.00 0.00 N ATOM 874 CA TYR A 53 10.190 30.648 22.331 1.00 0.00 C ATOM 875 C TYR A 53 10.418 30.535 20.827 1.00 0.00 C ATOM 876 O TYR A 53 10.949 29.536 20.341 1.00 0.00 O ATOM 877 CB TYR A 53 11.533 30.625 23.064 1.00 0.00 C ATOM 878 CG TYR A 53 12.181 31.985 23.185 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.452 33.089 23.612 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.522 32.168 22.872 1.00 0.00 C ATOM 881 CE1 TYR A 53 12.041 34.334 23.723 1.00 0.00 C ATOM 882 CE2 TYR A 53 14.119 33.409 22.981 1.00 0.00 C ATOM 883 CZ TYR A 53 13.374 34.489 23.406 1.00 0.00 C ATOM 884 OH TYR A 53 13.964 35.727 23.516 1.00 0.00 O ATOM 0 H TYR A 53 9.813 28.683 22.955 1.00 0.00 H new ATOM 0 HA TYR A 53 9.688 31.594 22.534 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.385 30.212 24.062 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.212 29.954 22.539 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.408 32.972 23.861 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.108 31.325 22.537 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.460 35.181 24.056 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.163 33.533 22.735 1.00 0.00 H new ATOM 0 HH TYR A 53 14.660 35.820 22.832 1.00 0.00 H new ATOM 894 N VAL A 54 10.012 31.567 20.094 1.00 0.00 N ATOM 895 CA VAL A 54 10.172 31.586 18.645 1.00 0.00 C ATOM 896 C VAL A 54 11.005 32.783 18.200 1.00 0.00 C ATOM 897 O VAL A 54 11.094 33.788 18.906 1.00 0.00 O ATOM 898 CB VAL A 54 8.808 31.630 17.931 1.00 0.00 C ATOM 899 CG1 VAL A 54 8.058 30.321 18.130 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.983 32.807 18.428 1.00 0.00 C ATOM 0 H VAL A 54 9.570 32.401 20.480 1.00 0.00 H new ATOM 0 HA VAL A 54 10.688 30.666 18.371 1.00 0.00 H new ATOM 0 HB VAL A 54 8.982 31.763 16.863 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.097 30.371 17.618 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.645 29.499 17.720 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.894 30.154 19.195 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.023 32.822 17.912 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.817 32.708 19.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.517 33.736 18.228 1.00 0.00 H new ATOM 910 N HIS A 55 11.614 32.669 17.024 1.00 0.00 N ATOM 911 CA HIS A 55 12.439 33.742 16.483 1.00 0.00 C ATOM 912 C HIS A 55 12.160 33.947 14.997 1.00 0.00 C ATOM 913 O HIS A 55 12.200 32.999 14.212 1.00 0.00 O ATOM 914 CB HIS A 55 13.921 33.432 16.698 1.00 0.00 C ATOM 915 CG HIS A 55 14.833 34.217 15.806 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.652 35.558 15.537 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.939 33.844 15.120 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.606 35.974 14.724 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.400 34.954 14.456 1.00 0.00 N ATOM 0 H HIS A 55 11.551 31.844 16.428 1.00 0.00 H new ATOM 0 HA HIS A 55 12.187 34.662 17.011 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.179 33.635 17.737 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.089 32.368 16.530 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.377 32.857 15.099 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.718 36.978 14.343 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.222 34.985 13.853 1.00 0.00 H new ATOM 927 N TYR A 56 11.877 35.188 14.619 1.00 0.00 N ATOM 928 CA TYR A 56 11.588 35.515 13.228 1.00 0.00 C ATOM 929 C TYR A 56 12.868 35.555 12.399 1.00 0.00 C ATOM 930 O TYR A 56 13.687 36.463 12.543 1.00 0.00 O ATOM 931 CB TYR A 56 10.868 36.862 13.138 1.00 0.00 C ATOM 932 CG TYR A 56 9.562 36.903 13.899 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.535 37.190 15.258 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.354 36.654 13.258 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.344 37.227 15.957 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.158 36.690 13.949 1.00 0.00 C ATOM 937 CZ TYR A 56 7.158 36.977 15.298 1.00 0.00 C ATOM 938 OH TYR A 56 5.970 37.014 15.990 1.00 0.00 O ATOM 0 H TYR A 56 11.841 35.984 15.256 1.00 0.00 H new ATOM 0 HA TYR A 56 10.941 34.736 12.826 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.526 37.642 13.520 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.676 37.092 12.090 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.461 37.388 15.777 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.350 36.429 12.202 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.341 37.450 17.014 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.228 36.494 13.436 1.00 0.00 H new ATOM 0 HH TYR A 56 6.108 37.455 16.854 1.00 0.00 H new ATOM 948 N VAL A 57 13.035 34.562 11.532 1.00 0.00 N ATOM 949 CA VAL A 57 14.214 34.482 10.678 1.00 0.00 C ATOM 950 C VAL A 57 14.316 35.699 9.767 1.00 0.00 C ATOM 951 O VAL A 57 15.388 36.282 9.611 1.00 0.00 O ATOM 952 CB VAL A 57 14.196 33.207 9.814 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.416 33.159 8.907 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.127 31.968 10.694 1.00 0.00 C ATOM 0 H VAL A 57 12.368 33.801 11.402 1.00 0.00 H new ATOM 0 HA VAL A 57 15.081 34.452 11.338 1.00 0.00 H new ATOM 0 HB VAL A 57 13.306 33.228 9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.386 32.251 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.417 34.030 8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.321 33.161 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.115 31.077 10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.997 31.939 11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.219 32.000 11.297 1.00 0.00 H new ATOM 964 N ASN A 58 13.193 36.078 9.166 1.00 0.00 N ATOM 965 CA ASN A 58 13.156 37.228 8.269 1.00 0.00 C ATOM 966 C ASN A 58 13.581 38.499 8.997 1.00 0.00 C ATOM 967 O ASN A 58 14.003 39.473 8.372 1.00 0.00 O ATOM 968 CB ASN A 58 11.750 37.404 7.690 1.00 0.00 C ATOM 969 CG ASN A 58 11.768 38.029 6.309 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.438 39.204 6.143 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.156 37.246 5.310 1.00 0.00 N ATOM 0 H ASN A 58 12.297 35.606 9.284 1.00 0.00 H new ATOM 0 HA ASN A 58 13.857 37.045 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.256 36.433 7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.159 38.028 8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.190 37.612 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.421 36.278 5.494 1.00 0.00 H new ATOM 978 N TYR A 59 13.467 38.484 10.320 1.00 0.00 N ATOM 979 CA TYR A 59 13.838 39.636 11.133 1.00 0.00 C ATOM 980 C TYR A 59 15.071 39.331 11.978 1.00 0.00 C ATOM 981 O TYR A 59 15.659 38.256 11.874 1.00 0.00 O ATOM 982 CB TYR A 59 12.674 40.044 12.037 1.00 0.00 C ATOM 983 CG TYR A 59 11.574 40.784 11.311 1.00 0.00 C ATOM 984 CD1 TYR A 59 11.794 42.049 10.779 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.315 40.218 11.156 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.791 42.729 10.115 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.306 40.890 10.492 1.00 0.00 C ATOM 988 CZ TYR A 59 9.549 42.145 9.974 1.00 0.00 C ATOM 989 OH TYR A 59 8.548 42.819 9.312 1.00 0.00 O ATOM 0 H TYR A 59 13.120 37.686 10.853 1.00 0.00 H new ATOM 0 HA TYR A 59 14.075 40.462 10.462 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.255 39.151 12.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.054 40.673 12.842 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.766 42.508 10.886 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.121 39.236 11.561 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.978 43.712 9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.333 40.435 10.379 1.00 0.00 H new ATOM 0 HH TYR A 59 7.737 42.269 9.299 1.00 0.00 H new ATOM 999 N ASN A 60 15.457 40.288 12.817 1.00 0.00 N ATOM 1000 CA ASN A 60 16.620 40.124 13.681 1.00 0.00 C ATOM 1001 C ASN A 60 16.258 39.336 14.937 1.00 0.00 C ATOM 1002 O ASN A 60 15.088 39.038 15.180 1.00 0.00 O ATOM 1003 CB ASN A 60 17.190 41.490 14.069 1.00 0.00 C ATOM 1004 CG ASN A 60 17.897 42.170 12.913 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.066 41.897 12.638 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.190 43.063 12.230 1.00 0.00 N ATOM 0 H ASN A 60 14.981 41.185 12.916 1.00 0.00 H new ATOM 0 HA ASN A 60 17.376 39.566 13.129 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.383 42.130 14.425 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.888 41.368 14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.613 43.554 11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.224 43.258 12.493 1.00 0.00 H new ATOM 1013 N LYS A 61 17.269 39.003 15.732 1.00 0.00 N ATOM 1014 CA LYS A 61 17.059 38.252 16.964 1.00 0.00 C ATOM 1015 C LYS A 61 16.310 39.093 17.993 1.00 0.00 C ATOM 1016 O LYS A 61 15.853 38.579 19.014 1.00 0.00 O ATOM 1017 CB LYS A 61 18.400 37.795 17.542 1.00 0.00 C ATOM 1018 CG LYS A 61 19.388 38.929 17.757 1.00 0.00 C ATOM 1019 CD LYS A 61 20.477 38.928 16.697 1.00 0.00 C ATOM 1020 CE LYS A 61 21.816 39.362 17.273 1.00 0.00 C ATOM 1021 NZ LYS A 61 21.716 40.664 17.990 1.00 0.00 N ATOM 0 H LYS A 61 18.243 39.242 15.545 1.00 0.00 H new ATOM 0 HA LYS A 61 16.455 37.376 16.727 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.224 37.293 18.493 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.844 37.060 16.871 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.860 39.882 17.736 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.840 38.837 18.745 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.570 37.929 16.270 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.195 39.597 15.884 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.182 38.597 17.958 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.547 39.445 16.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 22.670 41.041 18.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 21.175 41.338 17.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.233 40.523 18.900 1.00 0.00 H new ATOM 1035 N ARG A 62 16.187 40.387 17.716 1.00 0.00 N ATOM 1036 CA ARG A 62 15.493 41.299 18.618 1.00 0.00 C ATOM 1037 C ARG A 62 13.981 41.192 18.442 1.00 0.00 C ATOM 1038 O ARG A 62 13.216 41.880 19.120 1.00 0.00 O ATOM 1039 CB ARG A 62 15.946 42.739 18.370 1.00 0.00 C ATOM 1040 CG ARG A 62 15.748 43.200 16.935 1.00 0.00 C ATOM 1041 CD ARG A 62 15.590 44.710 16.852 1.00 0.00 C ATOM 1042 NE ARG A 62 15.068 45.136 15.557 1.00 0.00 N ATOM 1043 CZ ARG A 62 14.526 46.329 15.339 1.00 0.00 C ATOM 1044 NH1 ARG A 62 14.437 47.211 16.326 1.00 0.00 N ATOM 1045 NH2 ARG A 62 14.072 46.643 14.132 1.00 0.00 N ATOM 0 H ARG A 62 16.559 40.828 16.874 1.00 0.00 H new ATOM 0 HA ARG A 62 15.743 41.018 19.641 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.396 43.404 19.036 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.001 42.829 18.630 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.600 42.888 16.331 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.866 42.717 16.515 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.919 45.048 17.642 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.555 45.185 17.028 1.00 0.00 H new ATOM 0 HE ARG A 62 15.122 44.482 14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.785 46.974 17.255 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.020 48.126 16.156 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.139 45.968 13.370 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.656 47.559 13.966 1.00 0.00 H new ATOM 1059 N LEU A 63 13.557 40.326 17.528 1.00 0.00 N ATOM 1060 CA LEU A 63 12.136 40.129 17.263 1.00 0.00 C ATOM 1061 C LEU A 63 11.615 38.888 17.981 1.00 0.00 C ATOM 1062 O LEU A 63 10.425 38.786 18.279 1.00 0.00 O ATOM 1063 CB LEU A 63 11.892 40.002 15.758 1.00 0.00 C ATOM 1064 CG LEU A 63 11.470 41.282 15.036 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.177 41.825 15.625 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.574 42.326 15.113 1.00 0.00 C ATOM 0 H LEU A 63 14.176 39.749 16.958 1.00 0.00 H new ATOM 0 HA LEU A 63 11.597 40.997 17.641 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.805 39.630 15.292 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.122 39.247 15.597 1.00 0.00 H new ATOM 0 HG LEU A 63 11.295 41.044 13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.892 42.736 15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.387 41.081 15.517 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.324 42.047 16.682 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.256 43.230 14.594 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.781 42.561 16.157 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.477 41.936 14.643 1.00 0.00 H new ATOM 1078 N ASP A 64 12.513 37.950 18.257 1.00 0.00 N ATOM 1079 CA ASP A 64 12.145 36.717 18.943 1.00 0.00 C ATOM 1080 C ASP A 64 11.436 37.019 20.260 1.00 0.00 C ATOM 1081 O ASP A 64 11.599 38.098 20.830 1.00 0.00 O ATOM 1082 CB ASP A 64 13.386 35.862 19.203 1.00 0.00 C ATOM 1083 CG ASP A 64 14.173 36.334 20.410 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.150 37.550 20.693 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.812 35.489 21.070 1.00 0.00 O ATOM 0 H ASP A 64 13.502 38.020 18.016 1.00 0.00 H new ATOM 0 HA ASP A 64 11.460 36.164 18.300 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.084 34.825 19.353 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.029 35.883 18.323 1.00 0.00 H new ATOM 1090 N GLU A 65 10.649 36.060 20.737 1.00 0.00 N ATOM 1091 CA GLU A 65 9.914 36.225 21.985 1.00 0.00 C ATOM 1092 C GLU A 65 9.177 34.942 22.357 1.00 0.00 C ATOM 1093 O GLU A 65 9.334 33.911 21.702 1.00 0.00 O ATOM 1094 CB GLU A 65 8.919 37.382 21.868 1.00 0.00 C ATOM 1095 CG GLU A 65 7.911 37.206 20.744 1.00 0.00 C ATOM 1096 CD GLU A 65 6.590 37.893 21.032 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.057 37.711 22.147 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.090 38.612 20.143 1.00 0.00 O ATOM 0 H GLU A 65 10.504 35.161 20.278 1.00 0.00 H new ATOM 0 HA GLU A 65 10.633 36.452 22.772 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.384 37.487 22.812 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.470 38.309 21.709 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.330 37.605 19.820 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.735 36.143 20.582 1.00 0.00 H new ATOM 1105 N TRP A 66 8.374 35.012 23.412 1.00 0.00 N ATOM 1106 CA TRP A 66 7.613 33.856 23.873 1.00 0.00 C ATOM 1107 C TRP A 66 6.168 33.929 23.392 1.00 0.00 C ATOM 1108 O TRP A 66 5.429 34.845 23.757 1.00 0.00 O ATOM 1109 CB TRP A 66 7.653 33.769 25.399 1.00 0.00 C ATOM 1110 CG TRP A 66 9.042 33.658 25.952 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.909 34.683 26.201 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.723 32.454 26.322 1.00 0.00 C ATOM 1113 NE1 TRP A 66 11.088 34.189 26.704 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.999 32.824 26.788 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.378 31.100 26.307 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.930 31.889 27.233 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.303 30.172 26.748 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.566 30.570 27.207 1.00 0.00 C ATOM 0 H TRP A 66 8.233 35.857 23.965 1.00 0.00 H new ATOM 0 HA TRP A 66 8.070 32.960 23.454 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.172 34.653 25.819 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.071 32.906 25.722 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.699 35.728 26.028 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.898 34.748 26.972 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.406 30.784 25.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.904 32.194 27.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.048 29.123 26.739 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.266 29.821 27.547 1.00 0.00 H new ATOM 1129 N ILE A 67 5.771 32.961 22.574 1.00 0.00 N ATOM 1130 CA ILE A 67 4.413 32.916 22.046 1.00 0.00 C ATOM 1131 C ILE A 67 3.648 31.719 22.598 1.00 0.00 C ATOM 1132 O ILE A 67 4.243 30.718 22.999 1.00 0.00 O ATOM 1133 CB ILE A 67 4.410 32.848 20.507 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.171 31.610 20.028 1.00 0.00 C ATOM 1135 CG2 ILE A 67 5.020 34.112 19.920 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.845 31.215 18.604 1.00 0.00 C ATOM 0 H ILE A 67 6.370 32.197 22.262 1.00 0.00 H new ATOM 0 HA ILE A 67 3.921 33.836 22.362 1.00 0.00 H new ATOM 0 HB ILE A 67 3.378 32.772 20.163 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.242 31.798 20.109 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.943 30.774 20.690 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.011 34.049 18.832 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.439 34.978 20.238 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.047 34.216 20.269 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.420 30.330 18.331 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.780 30.996 18.522 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.099 32.034 17.932 1.00 0.00 H new ATOM 1148 N THR A 68 2.323 31.827 22.615 1.00 0.00 N ATOM 1149 CA THR A 68 1.475 30.753 23.117 1.00 0.00 C ATOM 1150 C THR A 68 0.894 29.930 21.973 1.00 0.00 C ATOM 1151 O THR A 68 1.078 30.260 20.801 1.00 0.00 O ATOM 1152 CB THR A 68 0.321 31.304 23.976 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.048 32.610 23.521 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.719 31.366 25.443 1.00 0.00 C ATOM 0 H THR A 68 1.814 32.648 22.287 1.00 0.00 H new ATOM 0 HA THR A 68 2.106 30.115 23.735 1.00 0.00 H new ATOM 0 HB THR A 68 -0.530 30.631 23.876 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.783 32.952 24.071 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.112 31.758 26.029 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.971 30.365 25.794 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.584 32.019 25.558 1.00 0.00 H new ATOM 1162 N THR A 69 0.191 28.856 22.320 1.00 0.00 N ATOM 1163 CA THR A 69 -0.416 27.985 21.322 1.00 0.00 C ATOM 1164 C THR A 69 -1.315 28.775 20.377 1.00 0.00 C ATOM 1165 O THR A 69 -1.287 28.570 19.163 1.00 0.00 O ATOM 1166 CB THR A 69 -1.243 26.865 21.982 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.350 27.428 22.694 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.383 26.047 22.934 1.00 0.00 C ATOM 0 H THR A 69 0.028 28.569 23.285 1.00 0.00 H new ATOM 0 HA THR A 69 0.400 27.538 20.754 1.00 0.00 H new ATOM 0 HB THR A 69 -1.615 26.207 21.197 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.871 26.710 23.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.988 25.262 23.388 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.442 25.596 22.383 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.014 26.696 23.714 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.109 29.678 20.941 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.016 30.500 20.147 1.00 0.00 C ATOM 1178 C ASP A 70 -2.237 31.410 19.202 1.00 0.00 C ATOM 1179 O ASP A 70 -2.799 31.971 18.261 1.00 0.00 O ATOM 1180 CB ASP A 70 -3.910 31.339 21.062 1.00 0.00 C ATOM 1181 CG ASP A 70 -4.571 30.510 22.145 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.010 29.381 21.842 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -4.650 30.990 23.295 1.00 0.00 O ATOM 0 H ASP A 70 -2.143 29.860 21.944 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.641 29.836 19.550 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.315 32.127 21.524 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.678 31.829 20.464 1.00 0.00 H new ATOM 1188 N ARG A 71 -0.941 31.553 19.460 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.086 32.397 18.634 1.00 0.00 C ATOM 1190 C ARG A 71 0.703 31.557 17.634 1.00 0.00 C ATOM 1191 O ARG A 71 1.669 32.032 17.036 1.00 0.00 O ATOM 1192 CB ARG A 71 0.874 33.201 19.512 1.00 0.00 C ATOM 1193 CG ARG A 71 0.183 34.242 20.377 1.00 0.00 C ATOM 1194 CD ARG A 71 1.122 35.383 20.733 1.00 0.00 C ATOM 1195 NE ARG A 71 0.564 36.248 21.770 1.00 0.00 N ATOM 1196 CZ ARG A 71 1.044 37.452 22.059 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.085 37.932 21.393 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.482 38.179 23.016 1.00 0.00 N ATOM 0 H ARG A 71 -0.460 31.095 20.234 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.723 33.086 18.080 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.425 32.515 20.155 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.605 33.698 18.875 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.686 34.636 19.850 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.183 33.773 21.290 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.074 34.976 21.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.329 35.974 19.841 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.238 35.909 22.301 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.519 37.376 20.656 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.451 38.857 21.617 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.319 37.813 23.530 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.851 39.104 23.237 1.00 0.00 H new ATOM 1212 N ILE A 72 0.287 30.307 17.459 1.00 0.00 N ATOM 1213 CA ILE A 72 0.954 29.403 16.532 1.00 0.00 C ATOM 1214 C ILE A 72 0.034 29.021 15.378 1.00 0.00 C ATOM 1215 O ILE A 72 -1.169 28.842 15.563 1.00 0.00 O ATOM 1216 CB ILE A 72 1.429 28.120 17.241 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.387 28.467 18.383 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.099 27.183 16.247 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.576 27.342 19.376 1.00 0.00 C ATOM 0 H ILE A 72 -0.509 29.898 17.948 1.00 0.00 H new ATOM 0 HA ILE A 72 1.821 29.935 16.141 1.00 0.00 H new ATOM 0 HB ILE A 72 0.561 27.612 17.662 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.356 28.737 17.964 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.011 29.345 18.908 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.429 26.281 16.763 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.389 26.914 15.465 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.959 27.681 15.800 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.267 27.659 20.157 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.615 27.086 19.823 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.982 26.469 18.864 1.00 0.00 H new ATOM 1231 N ASN A 73 0.610 28.896 14.186 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.159 28.534 13.001 1.00 0.00 C ATOM 1233 C ASN A 73 -0.001 27.051 12.682 1.00 0.00 C ATOM 1234 O ASN A 73 1.045 26.617 12.195 1.00 0.00 O ATOM 1235 CB ASN A 73 0.287 29.375 11.802 1.00 0.00 C ATOM 1236 CG ASN A 73 0.032 30.856 12.008 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -0.167 31.312 13.134 1.00 0.00 O ATOM 1238 ND2 ASN A 73 0.036 31.614 10.918 1.00 0.00 N ATOM 0 H ASN A 73 1.605 29.040 14.016 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.211 28.733 13.206 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.350 29.213 11.624 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.241 29.039 10.909 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.130 32.617 10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.206 31.193 10.005 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.045 26.277 12.959 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.023 24.842 12.701 1.00 0.00 C ATOM 1247 C LEU A 74 -1.623 24.524 11.336 1.00 0.00 C ATOM 1248 O LEU A 74 -2.038 23.394 11.076 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.790 24.096 13.794 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.994 23.740 15.050 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.025 22.652 14.745 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.305 24.975 15.613 1.00 0.00 C ATOM 0 H LEU A 74 -1.917 26.620 13.362 1.00 0.00 H new ATOM 0 HA LEU A 74 0.016 24.513 12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.644 24.705 14.090 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.187 23.175 13.367 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.687 23.361 15.801 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.582 22.411 15.650 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.491 21.760 14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.714 23.004 13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.257 24.703 16.507 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.376 25.384 14.867 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.054 25.724 15.870 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.664 25.527 10.466 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.211 25.354 9.125 1.00 0.00 C ATOM 1266 C ASP A 75 -1.094 25.171 8.102 1.00 0.00 C ATOM 1267 O ASP A 75 -1.313 24.632 7.017 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.075 26.557 8.744 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.530 26.370 9.129 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -5.078 25.281 8.862 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.120 27.313 9.697 1.00 0.00 O ATOM 0 H ASP A 75 -1.325 26.468 10.665 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.830 24.457 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.685 27.450 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.005 26.725 7.669 1.00 0.00 H new ATOM 1276 N LYS A 76 0.104 25.625 8.455 1.00 0.00 N ATOM 1277 CA LYS A 76 1.257 25.511 7.569 1.00 0.00 C ATOM 1278 C LYS A 76 2.135 24.329 7.967 1.00 0.00 C ATOM 1279 O LYS A 76 2.296 24.035 9.151 1.00 0.00 O ATOM 1280 CB LYS A 76 2.078 26.803 7.599 1.00 0.00 C ATOM 1281 CG LYS A 76 1.603 27.849 6.605 1.00 0.00 C ATOM 1282 CD LYS A 76 0.742 28.905 7.276 1.00 0.00 C ATOM 1283 CE LYS A 76 0.706 30.192 6.466 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.358 30.161 5.424 1.00 0.00 N ATOM 0 H LYS A 76 0.302 26.075 9.349 1.00 0.00 H new ATOM 0 HA LYS A 76 0.890 25.343 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.040 27.225 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.122 26.565 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.465 28.325 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.034 27.366 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.272 28.524 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.130 29.112 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.536 31.037 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.675 30.350 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.062 30.356 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.805 29.222 5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.075 30.883 5.638 1.00 0.00 H new ATOM 1298 N GLU A 77 2.701 23.656 6.970 1.00 0.00 N ATOM 1299 CA GLU A 77 3.563 22.506 7.217 1.00 0.00 C ATOM 1300 C GLU A 77 4.655 22.852 8.226 1.00 0.00 C ATOM 1301 O GLU A 77 5.040 24.013 8.367 1.00 0.00 O ATOM 1302 CB GLU A 77 4.195 22.024 5.910 1.00 0.00 C ATOM 1303 CG GLU A 77 3.188 21.795 4.795 1.00 0.00 C ATOM 1304 CD GLU A 77 3.803 21.124 3.583 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.290 19.982 3.719 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.797 21.741 2.497 1.00 0.00 O ATOM 0 H GLU A 77 2.578 23.887 5.984 1.00 0.00 H new ATOM 0 HA GLU A 77 2.949 21.706 7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.930 22.758 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.734 21.095 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.370 21.180 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.758 22.751 4.497 1.00 0.00 H new ATOM 1313 N VAL A 78 5.149 21.836 8.926 1.00 0.00 N ATOM 1314 CA VAL A 78 6.197 22.031 9.921 1.00 0.00 C ATOM 1315 C VAL A 78 7.521 21.443 9.447 1.00 0.00 C ATOM 1316 O VAL A 78 7.551 20.398 8.795 1.00 0.00 O ATOM 1317 CB VAL A 78 5.816 21.392 11.269 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.958 21.526 12.265 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.544 22.020 11.816 1.00 0.00 C ATOM 0 H VAL A 78 4.840 20.869 8.823 1.00 0.00 H new ATOM 0 HA VAL A 78 6.309 23.107 10.057 1.00 0.00 H new ATOM 0 HB VAL A 78 5.629 20.330 11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.671 21.069 13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.843 21.024 11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.180 22.581 12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.290 21.556 12.769 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.700 23.089 11.963 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.729 21.866 11.109 1.00 0.00 H new ATOM 1329 N LEU A 79 8.615 22.119 9.780 1.00 0.00 N ATOM 1330 CA LEU A 79 9.945 21.663 9.389 1.00 0.00 C ATOM 1331 C LEU A 79 10.666 21.015 10.567 1.00 0.00 C ATOM 1332 O LEU A 79 10.760 21.597 11.647 1.00 0.00 O ATOM 1333 CB LEU A 79 10.770 22.834 8.853 1.00 0.00 C ATOM 1334 CG LEU A 79 10.919 22.911 7.333 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.827 21.800 6.829 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.556 22.835 6.660 1.00 0.00 C ATOM 0 H LEU A 79 8.608 22.985 10.320 1.00 0.00 H new ATOM 0 HA LEU A 79 9.830 20.918 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.315 23.762 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.766 22.782 9.293 1.00 0.00 H new ATOM 0 HG LEU A 79 11.375 23.868 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.921 21.871 5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.812 21.899 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.400 20.833 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.681 22.891 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.073 21.893 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.937 23.666 6.998 1.00 0.00 H new ATOM 1348 N TYR A 80 11.175 19.807 10.349 1.00 0.00 N ATOM 1349 CA TYR A 80 11.887 19.079 11.392 1.00 0.00 C ATOM 1350 C TYR A 80 13.252 18.612 10.895 1.00 0.00 C ATOM 1351 O TYR A 80 13.485 18.456 9.696 1.00 0.00 O ATOM 1352 CB TYR A 80 11.064 17.878 11.859 1.00 0.00 C ATOM 1353 CG TYR A 80 9.851 18.257 12.678 1.00 0.00 C ATOM 1354 CD1 TYR A 80 9.988 18.782 13.957 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.567 18.090 12.172 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.882 19.128 14.709 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.456 18.436 12.917 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.618 18.954 14.185 1.00 0.00 C ATOM 1359 OH TYR A 80 6.515 19.299 14.930 1.00 0.00 O ATOM 0 H TYR A 80 11.108 19.312 9.460 1.00 0.00 H new ATOM 0 HA TYR A 80 12.038 19.756 12.233 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.740 17.309 10.987 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.700 17.220 12.451 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.976 18.922 14.370 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.436 17.683 11.180 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.006 19.533 15.702 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.465 18.301 12.508 1.00 0.00 H new ATOM 0 HH TYR A 80 6.741 19.269 15.883 1.00 0.00 H new ATOM 1369 N PRO A 81 14.177 18.382 11.839 1.00 0.00 N ATOM 1370 CA PRO A 81 15.535 17.928 11.523 1.00 0.00 C ATOM 1371 C PRO A 81 15.561 16.493 11.009 1.00 0.00 C ATOM 1372 O PRO A 81 14.649 15.710 11.275 1.00 0.00 O ATOM 1373 CB PRO A 81 16.264 18.029 12.865 1.00 0.00 C ATOM 1374 CG PRO A 81 15.190 17.909 13.890 1.00 0.00 C ATOM 1375 CD PRO A 81 13.969 18.547 13.287 1.00 0.00 C ATOM 0 HA PRO A 81 15.989 18.522 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.005 17.237 12.974 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.795 18.977 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.002 16.864 14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.476 18.410 14.815 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.054 18.057 13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.887 19.598 13.564 1.00 0.00 H new