USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 504 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 680 THR OG1 : rot 121:sc= 0.778 USER MOD Set 1.2: A 683 LYS NZ :NH3+ 135:sc= 0.83 (180deg=0) USER MOD Single : A 663 MET CE :methyl -134:sc= -0.265 (180deg=-3.11!) USER MOD Single : A 664 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 665 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 669 MET CE :methyl -164:sc= -0.0707 (180deg=-0.769) USER MOD Single : A 676 SER OG : rot 180:sc= 0 USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 686 HIS : no HD1:sc= -6.75! C(o=-6.7!,f=-7.4!) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 694 TYR OH : rot 150:sc= -0.0429 USER MOD Single : A 698 ASN : amide:sc= -0.275 K(o=-0.27,f=-2.6!) USER MOD Single : A 700 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 703 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 704 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.72) USER MOD Single : A 708 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.4) USER MOD Single : A 709 TYR OH : rot 180:sc= 0 USER MOD Single : A 711 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 712 THR OG1 : rot -84:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 184 N PRO A 658 3.209 -16.776 -0.902 1.00 0.00 N ATOM 185 CA PRO A 658 2.729 -16.208 -2.164 1.00 0.00 C ATOM 186 C PRO A 658 2.493 -14.704 -2.070 1.00 0.00 C ATOM 187 O PRO A 658 2.341 -14.156 -0.977 1.00 0.00 O ATOM 188 CB PRO A 658 1.407 -16.942 -2.404 1.00 0.00 C ATOM 189 CG PRO A 658 0.951 -17.353 -1.047 1.00 0.00 C ATOM 190 CD PRO A 658 2.199 -17.632 -0.256 1.00 0.00 C ATOM 0 HA PRO A 658 3.454 -16.333 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 658 0.676 -16.294 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 658 1.546 -17.806 -3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 658 0.361 -16.565 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 658 0.317 -18.238 -1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 658 2.072 -17.380 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 658 2.476 -18.685 -0.301 1.00 0.00 H new ATOM 198 N LEU A 659 2.462 -14.042 -3.221 1.00 0.00 N ATOM 199 CA LEU A 659 2.244 -12.600 -3.268 1.00 0.00 C ATOM 200 C LEU A 659 0.924 -12.227 -2.601 1.00 0.00 C ATOM 201 O LEU A 659 0.866 -11.299 -1.795 1.00 0.00 O ATOM 202 CB LEU A 659 2.252 -12.110 -4.718 1.00 0.00 C ATOM 203 CG LEU A 659 2.120 -10.600 -4.917 1.00 0.00 C ATOM 204 CD1 LEU A 659 3.441 -9.906 -4.622 1.00 0.00 C ATOM 205 CD2 LEU A 659 1.655 -10.287 -6.331 1.00 0.00 C ATOM 0 H LEU A 659 2.585 -14.480 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 659 3.055 -12.117 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 659 3.180 -12.438 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 659 1.436 -12.599 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 659 1.372 -10.225 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 659 3.328 -8.832 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 659 3.733 -10.103 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 659 4.210 -10.286 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 659 1.567 -9.208 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 659 2.379 -10.676 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 659 0.685 -10.753 -6.507 1.00 0.00 H new ATOM 217 N GLU A 660 -0.133 -12.958 -2.942 1.00 0.00 N ATOM 218 CA GLU A 660 -1.452 -12.704 -2.374 1.00 0.00 C ATOM 219 C GLU A 660 -1.408 -12.756 -0.850 1.00 0.00 C ATOM 220 O GLU A 660 -2.152 -12.049 -0.172 1.00 0.00 O ATOM 221 CB GLU A 660 -2.464 -13.724 -2.901 1.00 0.00 C ATOM 222 CG GLU A 660 -2.060 -15.167 -2.651 1.00 0.00 C ATOM 223 CD GLU A 660 -2.974 -16.157 -3.346 1.00 0.00 C ATOM 224 OE1 GLU A 660 -3.991 -16.551 -2.739 1.00 0.00 O ATOM 225 OE2 GLU A 660 -2.672 -16.539 -4.496 1.00 0.00 O ATOM 0 H GLU A 660 -0.102 -13.730 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 660 -1.763 -11.704 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -3.431 -13.540 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -2.595 -13.573 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -1.037 -15.319 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -2.068 -15.362 -1.579 1.00 0.00 H new ATOM 232 N ALA A 661 -0.529 -13.600 -0.318 1.00 0.00 N ATOM 233 CA ALA A 661 -0.386 -13.744 1.125 1.00 0.00 C ATOM 234 C ALA A 661 0.263 -12.508 1.739 1.00 0.00 C ATOM 235 O ALA A 661 -0.371 -11.776 2.500 1.00 0.00 O ATOM 236 CB ALA A 661 0.428 -14.987 1.453 1.00 0.00 C ATOM 0 H ALA A 661 0.094 -14.194 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 661 -1.382 -13.851 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 661 0.527 -15.082 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 661 -0.077 -15.868 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 661 1.418 -14.903 1.004 1.00 0.00 H new ATOM 242 N ARG A 662 1.529 -12.282 1.404 1.00 0.00 N ATOM 243 CA ARG A 662 2.263 -11.135 1.924 1.00 0.00 C ATOM 244 C ARG A 662 1.485 -9.842 1.697 1.00 0.00 C ATOM 245 O ARG A 662 1.316 -9.039 2.614 1.00 0.00 O ATOM 246 CB ARG A 662 3.638 -11.038 1.259 1.00 0.00 C ATOM 247 CG ARG A 662 3.583 -11.070 -0.259 1.00 0.00 C ATOM 248 CD ARG A 662 4.833 -11.703 -0.849 1.00 0.00 C ATOM 249 NE ARG A 662 6.054 -11.088 -0.333 1.00 0.00 N ATOM 250 CZ ARG A 662 7.263 -11.325 -0.830 1.00 0.00 C ATOM 251 NH1 ARG A 662 7.412 -12.159 -1.850 1.00 0.00 N ATOM 252 NH2 ARG A 662 8.325 -10.727 -0.307 1.00 0.00 N ATOM 0 H ARG A 662 2.067 -12.878 0.775 1.00 0.00 H new ATOM 0 HA ARG A 662 2.394 -11.276 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 662 4.122 -10.115 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 662 4.261 -11.861 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 662 2.704 -11.629 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 662 3.473 -10.055 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 662 4.841 -12.769 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 662 4.810 -11.608 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 662 5.974 -10.441 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 662 6.597 -12.620 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 662 8.341 -12.339 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 662 8.214 -10.085 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 662 9.253 -10.910 -0.689 1.00 0.00 H new ATOM 266 N MET A 663 1.013 -9.649 0.470 1.00 0.00 N ATOM 267 CA MET A 663 0.251 -8.455 0.124 1.00 0.00 C ATOM 268 C MET A 663 -0.978 -8.316 1.015 1.00 0.00 C ATOM 269 O MET A 663 -1.239 -7.248 1.569 1.00 0.00 O ATOM 270 CB MET A 663 -0.172 -8.502 -1.346 1.00 0.00 C ATOM 271 CG MET A 663 0.934 -8.107 -2.310 1.00 0.00 C ATOM 272 SD MET A 663 0.310 -7.693 -3.951 1.00 0.00 S ATOM 273 CE MET A 663 1.425 -6.370 -4.413 1.00 0.00 C ATOM 0 H MET A 663 1.145 -10.304 -0.301 1.00 0.00 H new ATOM 0 HA MET A 663 0.892 -7.588 0.283 1.00 0.00 H new ATOM 0 HB2 MET A 663 -0.509 -9.510 -1.586 1.00 0.00 H new ATOM 0 HB3 MET A 663 -1.024 -7.838 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 663 1.475 -7.252 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 663 1.648 -8.926 -2.393 1.00 0.00 H new ATOM 0 HE1 MET A 663 0.853 -5.542 -4.833 1.00 0.00 H new ATOM 0 HE2 MET A 663 1.967 -6.027 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 663 2.134 -6.735 -5.156 1.00 0.00 H new ATOM 283 N LYS A 664 -1.732 -9.402 1.150 1.00 0.00 N ATOM 284 CA LYS A 664 -2.934 -9.403 1.975 1.00 0.00 C ATOM 285 C LYS A 664 -2.638 -8.856 3.368 1.00 0.00 C ATOM 286 O LYS A 664 -3.397 -8.045 3.899 1.00 0.00 O ATOM 287 CB LYS A 664 -3.503 -10.820 2.082 1.00 0.00 C ATOM 288 CG LYS A 664 -4.487 -11.165 0.978 1.00 0.00 C ATOM 289 CD LYS A 664 -5.816 -10.454 1.172 1.00 0.00 C ATOM 290 CE LYS A 664 -6.753 -11.259 2.059 1.00 0.00 C ATOM 291 NZ LYS A 664 -8.159 -10.779 1.959 1.00 0.00 N ATOM 0 H LYS A 664 -1.531 -10.294 0.698 1.00 0.00 H new ATOM 0 HA LYS A 664 -3.672 -8.757 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 664 -2.681 -11.535 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 664 -3.998 -10.932 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 664 -4.063 -10.889 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 664 -4.650 -12.243 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 664 -5.644 -9.474 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 664 -6.285 -10.286 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 664 -6.707 -12.311 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 664 -6.419 -11.193 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 -8.767 -11.353 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 -8.207 -9.783 2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 -8.486 -10.866 0.976 1.00 0.00 H new ATOM 305 N GLN A 665 -1.531 -9.303 3.952 1.00 0.00 N ATOM 306 CA GLN A 665 -1.136 -8.857 5.282 1.00 0.00 C ATOM 307 C GLN A 665 -0.945 -7.344 5.315 1.00 0.00 C ATOM 308 O GLN A 665 -1.626 -6.638 6.059 1.00 0.00 O ATOM 309 CB GLN A 665 0.154 -9.555 5.715 1.00 0.00 C ATOM 310 CG GLN A 665 0.040 -11.071 5.760 1.00 0.00 C ATOM 311 CD GLN A 665 1.271 -11.731 6.349 1.00 0.00 C ATOM 312 OE1 GLN A 665 2.356 -11.677 5.770 1.00 0.00 O ATOM 313 NE2 GLN A 665 1.109 -12.359 7.508 1.00 0.00 N ATOM 0 H GLN A 665 -0.892 -9.974 3.525 1.00 0.00 H new ATOM 0 HA GLN A 665 -1.934 -9.119 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 665 0.955 -9.279 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 665 0.441 -9.191 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 665 -0.834 -11.349 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 665 -0.123 -11.450 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 665 0.192 -12.379 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 665 1.902 -12.821 7.953 1.00 0.00 H new ATOM 322 N PHE A 666 -0.015 -6.853 4.503 1.00 0.00 N ATOM 323 CA PHE A 666 0.267 -5.423 4.440 1.00 0.00 C ATOM 324 C PHE A 666 -1.024 -4.619 4.318 1.00 0.00 C ATOM 325 O PHE A 666 -1.333 -3.786 5.170 1.00 0.00 O ATOM 326 CB PHE A 666 1.186 -5.115 3.256 1.00 0.00 C ATOM 327 CG PHE A 666 1.859 -3.776 3.352 1.00 0.00 C ATOM 328 CD1 PHE A 666 3.029 -3.624 4.078 1.00 0.00 C ATOM 329 CD2 PHE A 666 1.321 -2.668 2.717 1.00 0.00 C ATOM 330 CE1 PHE A 666 3.651 -2.393 4.169 1.00 0.00 C ATOM 331 CE2 PHE A 666 1.939 -1.435 2.804 1.00 0.00 C ATOM 332 CZ PHE A 666 3.105 -1.297 3.532 1.00 0.00 C ATOM 0 H PHE A 666 0.556 -7.424 3.880 1.00 0.00 H new ATOM 0 HA PHE A 666 0.768 -5.136 5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 666 1.948 -5.891 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 666 0.604 -5.155 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 666 3.460 -4.478 4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 666 0.409 -2.769 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 666 4.563 -2.289 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 666 1.511 -0.580 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 666 3.588 -0.334 3.603 1.00 0.00 H new ATOM 342 N LYS A 667 -1.775 -4.875 3.252 1.00 0.00 N ATOM 343 CA LYS A 667 -3.034 -4.177 3.017 1.00 0.00 C ATOM 344 C LYS A 667 -3.875 -4.130 4.288 1.00 0.00 C ATOM 345 O LYS A 667 -4.343 -3.067 4.696 1.00 0.00 O ATOM 346 CB LYS A 667 -3.820 -4.863 1.898 1.00 0.00 C ATOM 347 CG LYS A 667 -4.828 -3.954 1.217 1.00 0.00 C ATOM 348 CD LYS A 667 -5.262 -4.511 -0.129 1.00 0.00 C ATOM 349 CE LYS A 667 -4.169 -4.356 -1.175 1.00 0.00 C ATOM 350 NZ LYS A 667 -4.567 -4.945 -2.484 1.00 0.00 N ATOM 0 H LYS A 667 -1.534 -5.561 2.537 1.00 0.00 H new ATOM 0 HA LYS A 667 -2.803 -3.155 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.120 -5.239 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.342 -5.727 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.700 -3.831 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.392 -2.965 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.518 -5.565 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -6.163 -3.996 -0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.940 -3.299 -1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -3.257 -4.838 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.796 -4.819 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -4.761 -5.960 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -5.422 -4.468 -2.834 1.00 0.00 H new ATOM 364 N ASP A 668 -4.063 -5.289 4.911 1.00 0.00 N ATOM 365 CA ASP A 668 -4.847 -5.379 6.138 1.00 0.00 C ATOM 366 C ASP A 668 -4.404 -4.321 7.144 1.00 0.00 C ATOM 367 O ASP A 668 -5.231 -3.614 7.720 1.00 0.00 O ATOM 368 CB ASP A 668 -4.713 -6.773 6.752 1.00 0.00 C ATOM 369 CG ASP A 668 -5.630 -6.971 7.943 1.00 0.00 C ATOM 370 OD1 ASP A 668 -5.658 -6.086 8.823 1.00 0.00 O ATOM 371 OD2 ASP A 668 -6.318 -8.012 7.996 1.00 0.00 O ATOM 0 H ASP A 668 -3.683 -6.178 4.587 1.00 0.00 H new ATOM 0 HA ASP A 668 -5.893 -5.200 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 668 -4.939 -7.524 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 668 -3.680 -6.933 7.062 1.00 0.00 H new ATOM 376 N MET A 669 -3.095 -4.220 7.352 1.00 0.00 N ATOM 377 CA MET A 669 -2.544 -3.249 8.289 1.00 0.00 C ATOM 378 C MET A 669 -2.990 -1.834 7.932 1.00 0.00 C ATOM 379 O MET A 669 -3.676 -1.173 8.713 1.00 0.00 O ATOM 380 CB MET A 669 -1.016 -3.327 8.297 1.00 0.00 C ATOM 381 CG MET A 669 -0.476 -4.712 7.979 1.00 0.00 C ATOM 382 SD MET A 669 1.267 -4.893 8.403 1.00 0.00 S ATOM 383 CE MET A 669 1.958 -3.437 7.620 1.00 0.00 C ATOM 0 H MET A 669 -2.397 -4.798 6.884 1.00 0.00 H new ATOM 0 HA MET A 669 -2.919 -3.489 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 669 -0.620 -2.616 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 669 -0.650 -3.019 9.277 1.00 0.00 H new ATOM 0 HG2 MET A 669 -1.057 -5.458 8.522 1.00 0.00 H new ATOM 0 HG3 MET A 669 -0.610 -4.915 6.916 1.00 0.00 H new ATOM 0 HE1 MET A 669 3.040 -3.544 7.543 1.00 0.00 H new ATOM 0 HE2 MET A 669 1.532 -3.323 6.623 1.00 0.00 H new ATOM 0 HE3 MET A 669 1.723 -2.556 8.217 1.00 0.00 H new ATOM 393 N LEU A 670 -2.597 -1.376 6.749 1.00 0.00 N ATOM 394 CA LEU A 670 -2.957 -0.039 6.288 1.00 0.00 C ATOM 395 C LEU A 670 -4.407 0.285 6.636 1.00 0.00 C ATOM 396 O LEU A 670 -4.729 1.413 7.010 1.00 0.00 O ATOM 397 CB LEU A 670 -2.745 0.075 4.777 1.00 0.00 C ATOM 398 CG LEU A 670 -1.341 -0.254 4.270 1.00 0.00 C ATOM 399 CD1 LEU A 670 -1.329 -0.342 2.752 1.00 0.00 C ATOM 400 CD2 LEU A 670 -0.341 0.787 4.754 1.00 0.00 C ATOM 0 H LEU A 670 -2.029 -1.910 6.091 1.00 0.00 H new ATOM 0 HA LEU A 670 -2.312 0.679 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 670 -3.454 -0.587 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -2.991 1.092 4.471 1.00 0.00 H new ATOM 0 HG LEU A 670 -1.048 -1.224 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 670 -0.321 -0.577 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 670 -2.014 -1.125 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -1.643 0.613 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 670 0.653 0.537 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -0.630 1.770 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 670 -0.329 0.801 5.844 1.00 0.00 H new ATOM 412 N LEU A 671 -5.276 -0.712 6.512 1.00 0.00 N ATOM 413 CA LEU A 671 -6.692 -0.535 6.816 1.00 0.00 C ATOM 414 C LEU A 671 -6.916 -0.422 8.320 1.00 0.00 C ATOM 415 O LEU A 671 -7.625 0.470 8.786 1.00 0.00 O ATOM 416 CB LEU A 671 -7.504 -1.702 6.254 1.00 0.00 C ATOM 417 CG LEU A 671 -9.019 -1.502 6.201 1.00 0.00 C ATOM 418 CD1 LEU A 671 -9.376 -0.375 5.243 1.00 0.00 C ATOM 419 CD2 LEU A 671 -9.714 -2.792 5.791 1.00 0.00 C ATOM 0 H LEU A 671 -5.025 -1.651 6.203 1.00 0.00 H new ATOM 0 HA LEU A 671 -7.026 0.391 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 671 -7.150 -1.912 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 671 -7.295 -2.587 6.856 1.00 0.00 H new ATOM 0 HG LEU A 671 -9.364 -1.228 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 671 -10.458 -0.247 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 671 -8.909 0.551 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 671 -9.017 -0.620 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 671 -10.791 -2.630 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 671 -9.363 -3.097 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 671 -9.486 -3.574 6.515 1.00 0.00 H new ATOM 431 N GLU A 672 -6.306 -1.330 9.074 1.00 0.00 N ATOM 432 CA GLU A 672 -6.439 -1.331 10.526 1.00 0.00 C ATOM 433 C GLU A 672 -5.674 -0.163 11.143 1.00 0.00 C ATOM 434 O GLU A 672 -6.270 0.748 11.719 1.00 0.00 O ATOM 435 CB GLU A 672 -5.929 -2.652 11.107 1.00 0.00 C ATOM 436 CG GLU A 672 -7.002 -3.722 11.218 1.00 0.00 C ATOM 437 CD GLU A 672 -8.266 -3.215 11.884 1.00 0.00 C ATOM 438 OE1 GLU A 672 -8.280 -3.117 13.129 1.00 0.00 O ATOM 439 OE2 GLU A 672 -9.239 -2.917 11.162 1.00 0.00 O ATOM 0 H GLU A 672 -5.715 -2.074 8.704 1.00 0.00 H new ATOM 0 HA GLU A 672 -7.496 -1.220 10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -5.118 -3.026 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -5.509 -2.466 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.244 -4.093 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -6.610 -4.566 11.786 1.00 0.00 H new ATOM 446 N ARG A 673 -4.352 -0.198 11.019 1.00 0.00 N ATOM 447 CA ARG A 673 -3.505 0.856 11.565 1.00 0.00 C ATOM 448 C ARG A 673 -4.179 2.219 11.432 1.00 0.00 C ATOM 449 O ARG A 673 -4.095 3.055 12.330 1.00 0.00 O ATOM 450 CB ARG A 673 -2.151 0.873 10.853 1.00 0.00 C ATOM 451 CG ARG A 673 -1.181 -0.179 11.365 1.00 0.00 C ATOM 452 CD ARG A 673 -0.477 0.282 12.632 1.00 0.00 C ATOM 453 NE ARG A 673 0.055 -0.839 13.402 1.00 0.00 N ATOM 454 CZ ARG A 673 -0.708 -1.719 14.041 1.00 0.00 C ATOM 455 NH1 ARG A 673 -2.028 -1.609 14.003 1.00 0.00 N ATOM 456 NH2 ARG A 673 -0.149 -2.713 14.721 1.00 0.00 N ATOM 0 H ARG A 673 -3.844 -0.945 10.545 1.00 0.00 H new ATOM 0 HA ARG A 673 -3.348 0.649 12.624 1.00 0.00 H new ATOM 0 HB2 ARG A 673 -2.309 0.720 9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 673 -1.700 1.859 10.971 1.00 0.00 H new ATOM 0 HG2 ARG A 673 -1.719 -1.106 11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 673 -0.441 -0.398 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 673 0.336 0.959 12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 673 -1.175 0.847 13.250 1.00 0.00 H new ATOM 0 HE ARG A 673 1.067 -0.953 13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 673 -2.461 -0.847 13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 673 -2.611 -2.287 14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 673 0.867 -2.801 14.753 1.00 0.00 H new ATOM 0 HH22 ARG A 673 -0.735 -3.388 15.211 1.00 0.00 H new ATOM 470 N GLY A 674 -4.847 2.435 10.302 1.00 0.00 N ATOM 471 CA GLY A 674 -5.524 3.697 10.071 1.00 0.00 C ATOM 472 C GLY A 674 -4.726 4.630 9.182 1.00 0.00 C ATOM 473 O GLY A 674 -4.825 5.851 9.303 1.00 0.00 O ATOM 0 H GLY A 674 -4.931 1.758 9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 674 -6.495 3.506 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 674 -5.713 4.185 11.027 1.00 0.00 H new ATOM 477 N VAL A 675 -3.929 4.054 8.288 1.00 0.00 N ATOM 478 CA VAL A 675 -3.109 4.842 7.375 1.00 0.00 C ATOM 479 C VAL A 675 -3.972 5.749 6.505 1.00 0.00 C ATOM 480 O VAL A 675 -4.364 5.377 5.399 1.00 0.00 O ATOM 481 CB VAL A 675 -2.255 3.938 6.466 1.00 0.00 C ATOM 482 CG1 VAL A 675 -1.747 4.718 5.263 1.00 0.00 C ATOM 483 CG2 VAL A 675 -1.097 3.338 7.249 1.00 0.00 C ATOM 0 H VAL A 675 -3.834 3.045 8.176 1.00 0.00 H new ATOM 0 HA VAL A 675 -2.449 5.454 7.990 1.00 0.00 H new ATOM 0 HB VAL A 675 -2.880 3.122 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -1.146 4.063 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -2.594 5.096 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -1.137 5.555 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -0.504 2.702 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -0.470 4.138 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -1.486 2.743 8.075 1.00 0.00 H new ATOM 493 N SER A 676 -4.264 6.943 7.012 1.00 0.00 N ATOM 494 CA SER A 676 -5.084 7.903 6.283 1.00 0.00 C ATOM 495 C SER A 676 -4.782 7.851 4.788 1.00 0.00 C ATOM 496 O SER A 676 -3.693 7.451 4.378 1.00 0.00 O ATOM 497 CB SER A 676 -4.843 9.318 6.814 1.00 0.00 C ATOM 498 OG SER A 676 -5.142 9.401 8.197 1.00 0.00 O ATOM 0 H SER A 676 -3.945 7.268 7.925 1.00 0.00 H new ATOM 0 HA SER A 676 -6.131 7.638 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 676 -3.804 9.601 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 676 -5.460 10.027 6.262 1.00 0.00 H new ATOM 0 HG SER A 676 -4.978 10.314 8.513 1.00 0.00 H new ATOM 504 N ALA A 677 -5.755 8.258 3.980 1.00 0.00 N ATOM 505 CA ALA A 677 -5.594 8.259 2.531 1.00 0.00 C ATOM 506 C ALA A 677 -5.265 9.657 2.017 1.00 0.00 C ATOM 507 O ALA A 677 -5.007 9.847 0.829 1.00 0.00 O ATOM 508 CB ALA A 677 -6.853 7.730 1.860 1.00 0.00 C ATOM 0 H ALA A 677 -6.663 8.591 4.304 1.00 0.00 H new ATOM 0 HA ALA A 677 -4.760 7.603 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 677 -6.719 7.736 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 677 -7.044 6.711 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 677 -7.700 8.363 2.124 1.00 0.00 H new ATOM 514 N PHE A 678 -5.278 10.632 2.919 1.00 0.00 N ATOM 515 CA PHE A 678 -4.983 12.013 2.556 1.00 0.00 C ATOM 516 C PHE A 678 -3.729 12.508 3.272 1.00 0.00 C ATOM 517 O PHE A 678 -3.643 13.671 3.666 1.00 0.00 O ATOM 518 CB PHE A 678 -6.168 12.918 2.899 1.00 0.00 C ATOM 519 CG PHE A 678 -7.430 12.554 2.169 1.00 0.00 C ATOM 520 CD1 PHE A 678 -8.297 11.606 2.688 1.00 0.00 C ATOM 521 CD2 PHE A 678 -7.749 13.160 0.964 1.00 0.00 C ATOM 522 CE1 PHE A 678 -9.458 11.269 2.018 1.00 0.00 C ATOM 523 CE2 PHE A 678 -8.908 12.827 0.290 1.00 0.00 C ATOM 524 CZ PHE A 678 -9.765 11.881 0.819 1.00 0.00 C ATOM 0 H PHE A 678 -5.490 10.492 3.907 1.00 0.00 H new ATOM 0 HA PHE A 678 -4.806 12.049 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -6.352 12.871 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -5.907 13.950 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -8.063 11.125 3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -7.084 13.901 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -10.125 10.527 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -9.144 13.305 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 678 -10.673 11.621 0.296 1.00 0.00 H new ATOM 534 N SER A 679 -2.758 11.615 3.436 1.00 0.00 N ATOM 535 CA SER A 679 -1.510 11.958 4.108 1.00 0.00 C ATOM 536 C SER A 679 -0.310 11.636 3.222 1.00 0.00 C ATOM 537 O SER A 679 -0.464 11.202 2.080 1.00 0.00 O ATOM 538 CB SER A 679 -1.396 11.204 5.434 1.00 0.00 C ATOM 539 OG SER A 679 -1.984 11.941 6.492 1.00 0.00 O ATOM 0 H SER A 679 -2.812 10.649 3.113 1.00 0.00 H new ATOM 0 HA SER A 679 -1.516 13.030 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 679 -1.885 10.234 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 679 -0.347 11.014 5.659 1.00 0.00 H new ATOM 0 HG SER A 679 -1.900 11.437 7.328 1.00 0.00 H new ATOM 545 N THR A 680 0.888 11.851 3.757 1.00 0.00 N ATOM 546 CA THR A 680 2.115 11.585 3.017 1.00 0.00 C ATOM 547 C THR A 680 2.648 10.189 3.319 1.00 0.00 C ATOM 548 O THR A 680 2.396 9.637 4.390 1.00 0.00 O ATOM 549 CB THR A 680 3.206 12.621 3.348 1.00 0.00 C ATOM 550 OG1 THR A 680 3.180 12.931 4.745 1.00 0.00 O ATOM 551 CG2 THR A 680 3.007 13.893 2.537 1.00 0.00 C ATOM 0 H THR A 680 1.034 12.209 4.701 1.00 0.00 H new ATOM 0 HA THR A 680 1.867 11.655 1.958 1.00 0.00 H new ATOM 0 HB THR A 680 4.174 12.192 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 680 4.049 12.717 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 680 3.789 14.610 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 680 3.057 13.658 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 680 2.033 14.323 2.768 1.00 0.00 H new ATOM 559 N TRP A 681 3.386 9.625 2.370 1.00 0.00 N ATOM 560 CA TRP A 681 3.955 8.292 2.535 1.00 0.00 C ATOM 561 C TRP A 681 4.947 8.264 3.693 1.00 0.00 C ATOM 562 O TRP A 681 5.112 7.240 4.355 1.00 0.00 O ATOM 563 CB TRP A 681 4.645 7.846 1.245 1.00 0.00 C ATOM 564 CG TRP A 681 5.616 6.723 1.449 1.00 0.00 C ATOM 565 CD1 TRP A 681 6.971 6.772 1.285 1.00 0.00 C ATOM 566 CD2 TRP A 681 5.306 5.385 1.852 1.00 0.00 C ATOM 567 NE1 TRP A 681 7.522 5.544 1.562 1.00 0.00 N ATOM 568 CE2 TRP A 681 6.522 4.676 1.913 1.00 0.00 C ATOM 569 CE3 TRP A 681 4.121 4.717 2.169 1.00 0.00 C ATOM 570 CZ2 TRP A 681 6.583 3.334 2.277 1.00 0.00 C ATOM 571 CZ3 TRP A 681 4.183 3.384 2.530 1.00 0.00 C ATOM 572 CH2 TRP A 681 5.407 2.704 2.582 1.00 0.00 C ATOM 0 H TRP A 681 3.605 10.070 1.478 1.00 0.00 H new ATOM 0 HA TRP A 681 3.142 7.602 2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 681 3.888 7.536 0.525 1.00 0.00 H new ATOM 0 HB3 TRP A 681 5.170 8.696 0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 681 7.527 7.647 0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 681 8.515 5.316 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 681 3.173 5.233 2.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 681 7.525 2.808 2.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 681 3.273 2.858 2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 681 5.423 1.663 2.868 1.00 0.00 H new ATOM 583 N GLU A 682 5.604 9.395 3.931 1.00 0.00 N ATOM 584 CA GLU A 682 6.581 9.498 5.009 1.00 0.00 C ATOM 585 C GLU A 682 5.930 9.219 6.361 1.00 0.00 C ATOM 586 O GLU A 682 6.351 8.324 7.094 1.00 0.00 O ATOM 587 CB GLU A 682 7.222 10.887 5.016 1.00 0.00 C ATOM 588 CG GLU A 682 8.322 11.055 3.982 1.00 0.00 C ATOM 589 CD GLU A 682 9.179 12.280 4.236 1.00 0.00 C ATOM 590 OE1 GLU A 682 8.657 13.264 4.800 1.00 0.00 O ATOM 591 OE2 GLU A 682 10.373 12.254 3.870 1.00 0.00 O ATOM 0 H GLU A 682 5.478 10.252 3.392 1.00 0.00 H new ATOM 0 HA GLU A 682 7.355 8.750 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 682 6.450 11.635 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 682 7.633 11.083 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 682 8.954 10.167 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 682 7.875 11.128 2.990 1.00 0.00 H new ATOM 598 N LYS A 683 4.899 9.993 6.686 1.00 0.00 N ATOM 599 CA LYS A 683 4.188 9.831 7.948 1.00 0.00 C ATOM 600 C LYS A 683 3.667 8.405 8.100 1.00 0.00 C ATOM 601 O LYS A 683 4.014 7.706 9.051 1.00 0.00 O ATOM 602 CB LYS A 683 3.025 10.822 8.033 1.00 0.00 C ATOM 603 CG LYS A 683 3.411 12.163 8.631 1.00 0.00 C ATOM 604 CD LYS A 683 2.457 13.263 8.196 1.00 0.00 C ATOM 605 CE LYS A 683 3.151 14.616 8.150 1.00 0.00 C ATOM 606 NZ LYS A 683 3.799 14.862 6.832 1.00 0.00 N ATOM 0 H LYS A 683 4.538 10.739 6.092 1.00 0.00 H new ATOM 0 HA LYS A 683 4.888 10.032 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 683 2.621 10.982 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 683 2.227 10.383 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 683 3.412 12.090 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 683 4.426 12.419 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 683 2.052 13.027 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 683 1.614 13.309 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 683 2.425 15.404 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 683 3.902 14.666 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 683 3.586 15.829 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 683 4.828 14.747 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 683 3.436 14.182 6.134 1.00 0.00 H new ATOM 620 N GLU A 684 2.832 7.981 7.156 1.00 0.00 N ATOM 621 CA GLU A 684 2.265 6.638 7.186 1.00 0.00 C ATOM 622 C GLU A 684 3.365 5.584 7.256 1.00 0.00 C ATOM 623 O GLU A 684 3.271 4.621 8.018 1.00 0.00 O ATOM 624 CB GLU A 684 1.394 6.401 5.950 1.00 0.00 C ATOM 625 CG GLU A 684 0.346 7.478 5.728 1.00 0.00 C ATOM 626 CD GLU A 684 -0.007 7.657 4.264 1.00 0.00 C ATOM 627 OE1 GLU A 684 0.917 7.882 3.455 1.00 0.00 O ATOM 628 OE2 GLU A 684 -1.207 7.571 3.929 1.00 0.00 O ATOM 0 H GLU A 684 2.534 8.548 6.362 1.00 0.00 H new ATOM 0 HA GLU A 684 1.647 6.552 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 684 2.035 6.343 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 684 0.896 5.436 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 684 -0.555 7.223 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 684 0.712 8.424 6.128 1.00 0.00 H new ATOM 635 N LEU A 685 4.409 5.772 6.455 1.00 0.00 N ATOM 636 CA LEU A 685 5.528 4.838 6.425 1.00 0.00 C ATOM 637 C LEU A 685 5.992 4.496 7.837 1.00 0.00 C ATOM 638 O LEU A 685 5.938 3.340 8.257 1.00 0.00 O ATOM 639 CB LEU A 685 6.690 5.429 5.623 1.00 0.00 C ATOM 640 CG LEU A 685 8.064 4.806 5.874 1.00 0.00 C ATOM 641 CD1 LEU A 685 8.221 3.522 5.074 1.00 0.00 C ATOM 642 CD2 LEU A 685 9.168 5.792 5.525 1.00 0.00 C ATOM 0 H LEU A 685 4.503 6.563 5.818 1.00 0.00 H new ATOM 0 HA LEU A 685 5.190 3.921 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 685 6.458 5.334 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 685 6.751 6.495 5.842 1.00 0.00 H new ATOM 0 HG LEU A 685 8.144 4.562 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 685 9.204 3.092 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 685 7.450 2.811 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 685 8.121 3.741 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 685 10.139 5.332 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 685 9.091 6.067 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 685 9.067 6.685 6.142 1.00 0.00 H new ATOM 654 N HIS A 686 6.445 5.511 8.567 1.00 0.00 N ATOM 655 CA HIS A 686 6.915 5.319 9.934 1.00 0.00 C ATOM 656 C HIS A 686 5.833 4.673 10.795 1.00 0.00 C ATOM 657 O HIS A 686 6.127 3.869 11.680 1.00 0.00 O ATOM 658 CB HIS A 686 7.336 6.657 10.544 1.00 0.00 C ATOM 659 CG HIS A 686 6.200 7.425 11.146 1.00 0.00 C ATOM 660 ND1 HIS A 686 5.797 8.659 10.683 1.00 0.00 N ATOM 661 CD2 HIS A 686 5.379 7.126 12.180 1.00 0.00 C ATOM 662 CE1 HIS A 686 4.779 9.088 11.407 1.00 0.00 C ATOM 663 NE2 HIS A 686 4.505 8.175 12.322 1.00 0.00 N ATOM 0 H HIS A 686 6.496 6.474 8.235 1.00 0.00 H new ATOM 0 HA HIS A 686 7.778 4.653 9.905 1.00 0.00 H new ATOM 0 HB2 HIS A 686 8.089 6.476 11.312 1.00 0.00 H new ATOM 0 HB3 HIS A 686 7.807 7.266 9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 686 5.407 6.229 12.781 1.00 0.00 H new ATOM 0 HE1 HIS A 686 4.259 10.025 11.274 1.00 0.00 H new ATOM 0 HE2 HIS A 686 3.764 8.239 13.020 1.00 0.00 H new ATOM 671 N LYS A 687 4.581 5.029 10.530 1.00 0.00 N ATOM 672 CA LYS A 687 3.455 4.485 11.279 1.00 0.00 C ATOM 673 C LYS A 687 3.339 2.978 11.068 1.00 0.00 C ATOM 674 O LYS A 687 2.803 2.264 11.916 1.00 0.00 O ATOM 675 CB LYS A 687 2.154 5.171 10.855 1.00 0.00 C ATOM 676 CG LYS A 687 1.828 6.411 11.668 1.00 0.00 C ATOM 677 CD LYS A 687 0.368 6.806 11.522 1.00 0.00 C ATOM 678 CE LYS A 687 0.167 7.777 10.368 1.00 0.00 C ATOM 679 NZ LYS A 687 -1.180 7.630 9.748 1.00 0.00 N ATOM 0 H LYS A 687 4.320 5.693 9.801 1.00 0.00 H new ATOM 0 HA LYS A 687 3.630 4.674 12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 687 2.224 5.445 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 687 1.332 4.461 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 687 2.053 6.228 12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 687 2.463 7.236 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -0.237 5.914 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 687 0.019 7.262 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 687 0.292 8.799 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 687 0.935 7.608 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -1.278 8.309 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -1.290 6.662 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -1.913 7.816 10.462 1.00 0.00 H new ATOM 693 N ILE A 688 3.846 2.503 9.936 1.00 0.00 N ATOM 694 CA ILE A 688 3.801 1.082 9.617 1.00 0.00 C ATOM 695 C ILE A 688 5.204 0.520 9.409 1.00 0.00 C ATOM 696 O ILE A 688 5.371 -0.599 8.925 1.00 0.00 O ATOM 697 CB ILE A 688 2.961 0.814 8.354 1.00 0.00 C ATOM 698 CG1 ILE A 688 3.595 1.496 7.139 1.00 0.00 C ATOM 699 CG2 ILE A 688 1.533 1.299 8.555 1.00 0.00 C ATOM 700 CD1 ILE A 688 3.210 0.862 5.821 1.00 0.00 C ATOM 0 H ILE A 688 4.293 3.081 9.224 1.00 0.00 H new ATOM 0 HA ILE A 688 3.334 0.583 10.466 1.00 0.00 H new ATOM 0 HB ILE A 688 2.937 -0.261 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 688 3.301 2.546 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 688 4.680 1.469 7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 688 0.952 1.103 7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 688 1.085 0.772 9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 688 1.538 2.370 8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 688 3.696 1.397 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 688 3.528 -0.181 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 688 2.128 0.912 5.695 1.00 0.00 H new ATOM 712 N VAL A 689 6.210 1.305 9.780 1.00 0.00 N ATOM 713 CA VAL A 689 7.599 0.886 9.637 1.00 0.00 C ATOM 714 C VAL A 689 8.013 -0.041 10.775 1.00 0.00 C ATOM 715 O VAL A 689 8.804 -0.964 10.581 1.00 0.00 O ATOM 716 CB VAL A 689 8.551 2.097 9.605 1.00 0.00 C ATOM 717 CG1 VAL A 689 8.809 2.612 11.013 1.00 0.00 C ATOM 718 CG2 VAL A 689 9.856 1.731 8.915 1.00 0.00 C ATOM 0 H VAL A 689 6.089 2.235 10.182 1.00 0.00 H new ATOM 0 HA VAL A 689 7.672 0.351 8.690 1.00 0.00 H new ATOM 0 HB VAL A 689 8.076 2.895 9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 689 9.483 3.467 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 689 7.866 2.916 11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 689 9.263 1.822 11.612 1.00 0.00 H new ATOM 0 HG21 VAL A 689 10.516 2.598 8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 689 10.338 0.917 9.456 1.00 0.00 H new ATOM 0 HG23 VAL A 689 9.651 1.415 7.892 1.00 0.00 H new ATOM 728 N PHE A 690 7.473 0.211 11.962 1.00 0.00 N ATOM 729 CA PHE A 690 7.786 -0.601 13.132 1.00 0.00 C ATOM 730 C PHE A 690 7.238 -2.016 12.975 1.00 0.00 C ATOM 731 O PHE A 690 7.915 -2.994 13.291 1.00 0.00 O ATOM 732 CB PHE A 690 7.210 0.043 14.395 1.00 0.00 C ATOM 733 CG PHE A 690 5.745 -0.223 14.589 1.00 0.00 C ATOM 734 CD1 PHE A 690 4.809 0.308 13.716 1.00 0.00 C ATOM 735 CD2 PHE A 690 5.303 -1.004 15.645 1.00 0.00 C ATOM 736 CE1 PHE A 690 3.460 0.065 13.893 1.00 0.00 C ATOM 737 CE2 PHE A 690 3.955 -1.251 15.826 1.00 0.00 C ATOM 738 CZ PHE A 690 3.032 -0.716 14.948 1.00 0.00 C ATOM 0 H PHE A 690 6.816 0.971 12.140 1.00 0.00 H new ATOM 0 HA PHE A 690 8.871 -0.658 13.223 1.00 0.00 H new ATOM 0 HB2 PHE A 690 7.756 -0.326 15.263 1.00 0.00 H new ATOM 0 HB3 PHE A 690 7.373 1.120 14.351 1.00 0.00 H new ATOM 0 HD1 PHE A 690 5.137 0.919 12.888 1.00 0.00 H new ATOM 0 HD2 PHE A 690 6.020 -1.425 16.335 1.00 0.00 H new ATOM 0 HE1 PHE A 690 2.741 0.486 13.206 1.00 0.00 H new ATOM 0 HE2 PHE A 690 3.624 -1.862 16.653 1.00 0.00 H new ATOM 0 HZ PHE A 690 1.978 -0.908 15.087 1.00 0.00 H new ATOM 748 N ASP A 691 6.007 -2.117 12.484 1.00 0.00 N ATOM 749 CA ASP A 691 5.367 -3.411 12.284 1.00 0.00 C ATOM 750 C ASP A 691 6.316 -4.385 11.592 1.00 0.00 C ATOM 751 O ASP A 691 7.054 -4.024 10.675 1.00 0.00 O ATOM 752 CB ASP A 691 4.090 -3.250 11.458 1.00 0.00 C ATOM 753 CG ASP A 691 3.158 -4.438 11.596 1.00 0.00 C ATOM 754 OD1 ASP A 691 3.385 -5.453 10.905 1.00 0.00 O ATOM 755 OD2 ASP A 691 2.201 -4.353 12.394 1.00 0.00 O ATOM 0 H ASP A 691 5.433 -1.317 12.217 1.00 0.00 H new ATOM 0 HA ASP A 691 5.109 -3.816 13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 691 3.569 -2.345 11.772 1.00 0.00 H new ATOM 0 HB3 ASP A 691 4.354 -3.119 10.409 1.00 0.00 H new ATOM 760 N PRO A 692 6.298 -5.649 12.040 1.00 0.00 N ATOM 761 CA PRO A 692 7.151 -6.701 11.478 1.00 0.00 C ATOM 762 C PRO A 692 6.733 -7.092 10.064 1.00 0.00 C ATOM 763 O PRO A 692 7.577 -7.288 9.190 1.00 0.00 O ATOM 764 CB PRO A 692 6.948 -7.874 12.440 1.00 0.00 C ATOM 765 CG PRO A 692 5.605 -7.642 13.042 1.00 0.00 C ATOM 766 CD PRO A 692 5.443 -6.149 13.129 1.00 0.00 C ATOM 0 HA PRO A 692 8.189 -6.380 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 692 6.987 -8.828 11.915 1.00 0.00 H new ATOM 0 HB3 PRO A 692 7.725 -7.899 13.204 1.00 0.00 H new ATOM 0 HG2 PRO A 692 4.820 -8.085 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 692 5.535 -8.100 14.028 1.00 0.00 H new ATOM 0 HD2 PRO A 692 4.404 -5.849 12.994 1.00 0.00 H new ATOM 0 HD3 PRO A 692 5.762 -5.766 14.098 1.00 0.00 H new ATOM 774 N ARG A 693 5.427 -7.204 9.848 1.00 0.00 N ATOM 775 CA ARG A 693 4.898 -7.573 8.540 1.00 0.00 C ATOM 776 C ARG A 693 5.381 -6.604 7.465 1.00 0.00 C ATOM 777 O ARG A 693 5.426 -6.945 6.283 1.00 0.00 O ATOM 778 CB ARG A 693 3.368 -7.594 8.573 1.00 0.00 C ATOM 779 CG ARG A 693 2.791 -8.792 9.308 1.00 0.00 C ATOM 780 CD ARG A 693 1.326 -8.580 9.654 1.00 0.00 C ATOM 781 NE ARG A 693 1.159 -7.882 10.926 1.00 0.00 N ATOM 782 CZ ARG A 693 1.497 -8.404 12.100 1.00 0.00 C ATOM 783 NH1 ARG A 693 2.018 -9.621 12.164 1.00 0.00 N ATOM 784 NH2 ARG A 693 1.314 -7.706 13.215 1.00 0.00 N ATOM 0 H ARG A 693 4.716 -7.045 10.561 1.00 0.00 H new ATOM 0 HA ARG A 693 5.263 -8.570 8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 693 3.011 -6.680 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 693 2.991 -7.590 7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 693 2.895 -9.684 8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 693 3.360 -8.969 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 693 0.845 -8.007 8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 693 0.821 -9.545 9.701 1.00 0.00 H new ATOM 0 HE ARG A 693 0.761 -6.943 10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 693 2.161 -10.160 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 693 2.276 -10.018 13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 693 0.914 -6.769 13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 693 1.574 -8.107 14.116 1.00 0.00 H new ATOM 798 N TYR A 694 5.741 -5.396 7.884 1.00 0.00 N ATOM 799 CA TYR A 694 6.218 -4.376 6.957 1.00 0.00 C ATOM 800 C TYR A 694 7.546 -4.789 6.329 1.00 0.00 C ATOM 801 O TYR A 694 7.852 -4.420 5.195 1.00 0.00 O ATOM 802 CB TYR A 694 6.376 -3.036 7.677 1.00 0.00 C ATOM 803 CG TYR A 694 7.250 -2.050 6.936 1.00 0.00 C ATOM 804 CD1 TYR A 694 8.621 -2.251 6.828 1.00 0.00 C ATOM 805 CD2 TYR A 694 6.706 -0.917 6.344 1.00 0.00 C ATOM 806 CE1 TYR A 694 9.424 -1.353 6.152 1.00 0.00 C ATOM 807 CE2 TYR A 694 7.501 -0.014 5.665 1.00 0.00 C ATOM 808 CZ TYR A 694 8.859 -0.236 5.572 1.00 0.00 C ATOM 809 OH TYR A 694 9.655 0.662 4.898 1.00 0.00 O ATOM 0 H TYR A 694 5.712 -5.099 8.859 1.00 0.00 H new ATOM 0 HA TYR A 694 5.479 -4.269 6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 694 5.391 -2.595 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 694 6.799 -3.212 8.666 1.00 0.00 H new ATOM 0 HD1 TYR A 694 9.066 -3.125 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 694 5.643 -0.739 6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 694 10.488 -1.524 6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 694 7.061 0.861 5.209 1.00 0.00 H new ATOM 0 HH TYR A 694 9.136 1.087 4.183 1.00 0.00 H new ATOM 819 N LEU A 695 8.331 -5.558 7.075 1.00 0.00 N ATOM 820 CA LEU A 695 9.627 -6.023 6.594 1.00 0.00 C ATOM 821 C LEU A 695 9.462 -7.201 5.639 1.00 0.00 C ATOM 822 O LEU A 695 10.430 -7.661 5.031 1.00 0.00 O ATOM 823 CB LEU A 695 10.516 -6.428 7.772 1.00 0.00 C ATOM 824 CG LEU A 695 10.735 -5.360 8.844 1.00 0.00 C ATOM 825 CD1 LEU A 695 11.369 -5.971 10.084 1.00 0.00 C ATOM 826 CD2 LEU A 695 11.600 -4.230 8.303 1.00 0.00 C ATOM 0 H LEU A 695 8.093 -5.873 8.015 1.00 0.00 H new ATOM 0 HA LEU A 695 10.101 -5.204 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 695 10.079 -7.307 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 695 11.489 -6.728 7.382 1.00 0.00 H new ATOM 0 HG LEU A 695 9.765 -4.947 9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 695 11.517 -5.196 10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 695 10.714 -6.744 10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 695 12.331 -6.411 9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 695 11.745 -3.479 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 695 12.568 -4.627 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 695 11.107 -3.773 7.445 1.00 0.00 H new ATOM 838 N LEU A 696 8.232 -7.684 5.510 1.00 0.00 N ATOM 839 CA LEU A 696 7.939 -8.807 4.627 1.00 0.00 C ATOM 840 C LEU A 696 7.953 -8.369 3.166 1.00 0.00 C ATOM 841 O LEU A 696 8.642 -8.963 2.335 1.00 0.00 O ATOM 842 CB LEU A 696 6.579 -9.415 4.975 1.00 0.00 C ATOM 843 CG LEU A 696 6.472 -10.078 6.349 1.00 0.00 C ATOM 844 CD1 LEU A 696 5.072 -10.630 6.568 1.00 0.00 C ATOM 845 CD2 LEU A 696 7.511 -11.181 6.490 1.00 0.00 C ATOM 0 H LEU A 696 7.421 -7.315 6.006 1.00 0.00 H new ATOM 0 HA LEU A 696 8.714 -9.560 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 696 5.826 -8.630 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.330 -10.156 4.216 1.00 0.00 H new ATOM 0 HG LEU A 696 6.666 -9.324 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 696 5.015 -11.098 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 696 4.347 -9.818 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 696 4.849 -11.371 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 696 7.421 -11.642 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 696 7.348 -11.935 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 696 8.509 -10.757 6.378 1.00 0.00 H new ATOM 857 N LEU A 697 7.191 -7.326 2.859 1.00 0.00 N ATOM 858 CA LEU A 697 7.117 -6.805 1.498 1.00 0.00 C ATOM 859 C LEU A 697 8.342 -5.957 1.172 1.00 0.00 C ATOM 860 O LEU A 697 8.998 -5.427 2.068 1.00 0.00 O ATOM 861 CB LEU A 697 5.845 -5.976 1.316 1.00 0.00 C ATOM 862 CG LEU A 697 4.560 -6.765 1.062 1.00 0.00 C ATOM 863 CD1 LEU A 697 3.450 -5.840 0.589 1.00 0.00 C ATOM 864 CD2 LEU A 697 4.805 -7.871 0.046 1.00 0.00 C ATOM 0 H LEU A 697 6.615 -6.824 3.534 1.00 0.00 H new ATOM 0 HA LEU A 697 7.092 -7.652 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 697 5.702 -5.366 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 697 5.998 -5.291 0.482 1.00 0.00 H new ATOM 0 HG LEU A 697 4.247 -7.224 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 697 2.544 -6.419 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 697 3.256 -5.085 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 697 3.753 -5.351 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 697 3.880 -8.422 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 697 5.143 -7.434 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 697 5.568 -8.551 0.425 1.00 0.00 H new ATOM 876 N ASN A 698 8.642 -5.830 -0.116 1.00 0.00 N ATOM 877 CA ASN A 698 9.788 -5.044 -0.560 1.00 0.00 C ATOM 878 C ASN A 698 9.559 -3.557 -0.304 1.00 0.00 C ATOM 879 O ASN A 698 8.438 -3.108 -0.064 1.00 0.00 O ATOM 880 CB ASN A 698 10.050 -5.282 -2.049 1.00 0.00 C ATOM 881 CG ASN A 698 11.076 -6.372 -2.288 1.00 0.00 C ATOM 882 OD1 ASN A 698 11.777 -6.793 -1.367 1.00 0.00 O ATOM 883 ND2 ASN A 698 11.168 -6.836 -3.529 1.00 0.00 N ATOM 0 H ASN A 698 8.108 -6.261 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 698 10.660 -5.363 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 698 9.116 -5.552 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 698 10.395 -4.355 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 698 11.840 -7.571 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 698 10.567 -6.458 -4.261 1.00 0.00 H new ATOM 890 N PRO A 699 10.646 -2.773 -0.356 1.00 0.00 N ATOM 891 CA PRO A 699 10.590 -1.326 -0.134 1.00 0.00 C ATOM 892 C PRO A 699 9.886 -0.591 -1.270 1.00 0.00 C ATOM 893 O PRO A 699 9.186 0.396 -1.045 1.00 0.00 O ATOM 894 CB PRO A 699 12.065 -0.919 -0.068 1.00 0.00 C ATOM 895 CG PRO A 699 12.781 -1.965 -0.851 1.00 0.00 C ATOM 896 CD PRO A 699 12.014 -3.241 -0.637 1.00 0.00 C ATOM 0 HA PRO A 699 10.023 -1.074 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 699 12.222 0.072 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 699 12.420 -0.883 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 699 12.817 -1.704 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 699 13.812 -2.068 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 699 12.046 -3.882 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 699 12.419 -3.819 0.193 1.00 0.00 H new ATOM 904 N LYS A 700 10.075 -1.080 -2.491 1.00 0.00 N ATOM 905 CA LYS A 700 9.457 -0.472 -3.663 1.00 0.00 C ATOM 906 C LYS A 700 7.958 -0.753 -3.695 1.00 0.00 C ATOM 907 O LYS A 700 7.155 0.146 -3.943 1.00 0.00 O ATOM 908 CB LYS A 700 10.113 -0.998 -4.942 1.00 0.00 C ATOM 909 CG LYS A 700 11.573 -0.604 -5.084 1.00 0.00 C ATOM 910 CD LYS A 700 12.219 -1.280 -6.281 1.00 0.00 C ATOM 911 CE LYS A 700 11.856 -0.578 -7.581 1.00 0.00 C ATOM 912 NZ LYS A 700 12.701 0.625 -7.816 1.00 0.00 N ATOM 0 H LYS A 700 10.652 -1.896 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 700 9.606 0.606 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 700 10.036 -2.085 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 700 9.559 -0.625 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 700 11.650 0.478 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 700 12.114 -0.874 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 700 13.302 -1.283 -6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 700 11.901 -2.321 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 700 11.973 -1.272 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 700 10.806 -0.285 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 700 12.423 1.075 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 700 12.571 1.299 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 700 13.701 0.343 -7.867 1.00 0.00 H new ATOM 926 N GLU A 701 7.590 -2.005 -3.442 1.00 0.00 N ATOM 927 CA GLU A 701 6.187 -2.402 -3.442 1.00 0.00 C ATOM 928 C GLU A 701 5.401 -1.624 -2.390 1.00 0.00 C ATOM 929 O GLU A 701 4.381 -1.005 -2.693 1.00 0.00 O ATOM 930 CB GLU A 701 6.059 -3.904 -3.182 1.00 0.00 C ATOM 931 CG GLU A 701 6.584 -4.766 -4.318 1.00 0.00 C ATOM 932 CD GLU A 701 7.838 -4.195 -4.952 1.00 0.00 C ATOM 933 OE1 GLU A 701 7.714 -3.260 -5.771 1.00 0.00 O ATOM 934 OE2 GLU A 701 8.941 -4.682 -4.630 1.00 0.00 O ATOM 0 H GLU A 701 8.243 -2.761 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 701 5.772 -2.174 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 701 6.599 -4.153 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 701 5.010 -4.146 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 701 6.795 -5.767 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 701 5.811 -4.868 -5.079 1.00 0.00 H new ATOM 941 N ARG A 702 5.884 -1.661 -1.152 1.00 0.00 N ATOM 942 CA ARG A 702 5.227 -0.962 -0.055 1.00 0.00 C ATOM 943 C ARG A 702 4.598 0.341 -0.539 1.00 0.00 C ATOM 944 O ARG A 702 3.448 0.644 -0.221 1.00 0.00 O ATOM 945 CB ARG A 702 6.228 -0.672 1.065 1.00 0.00 C ATOM 946 CG ARG A 702 6.572 -1.892 1.905 1.00 0.00 C ATOM 947 CD ARG A 702 7.843 -1.672 2.711 1.00 0.00 C ATOM 948 NE ARG A 702 8.404 -2.928 3.202 1.00 0.00 N ATOM 949 CZ ARG A 702 9.681 -3.083 3.534 1.00 0.00 C ATOM 950 NH1 ARG A 702 10.524 -2.065 3.429 1.00 0.00 N ATOM 951 NH2 ARG A 702 10.116 -4.257 3.972 1.00 0.00 N ATOM 0 H ARG A 702 6.728 -2.168 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 702 4.436 -1.606 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 702 7.143 -0.272 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 702 5.820 0.102 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 702 5.746 -2.115 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 702 6.697 -2.759 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 702 8.581 -1.163 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 702 7.628 -1.016 3.555 1.00 0.00 H new ATOM 0 HE ARG A 702 7.781 -3.730 3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 702 10.192 -1.161 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 702 11.504 -2.186 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 702 9.470 -5.042 4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 702 11.097 -4.375 4.227 1.00 0.00 H new ATOM 965 N LYS A 703 5.361 1.109 -1.310 1.00 0.00 N ATOM 966 CA LYS A 703 4.880 2.380 -1.839 1.00 0.00 C ATOM 967 C LYS A 703 3.845 2.154 -2.938 1.00 0.00 C ATOM 968 O LYS A 703 2.793 2.792 -2.950 1.00 0.00 O ATOM 969 CB LYS A 703 6.048 3.203 -2.386 1.00 0.00 C ATOM 970 CG LYS A 703 5.670 4.628 -2.752 1.00 0.00 C ATOM 971 CD LYS A 703 5.125 4.713 -4.168 1.00 0.00 C ATOM 972 CE LYS A 703 5.197 6.133 -4.709 1.00 0.00 C ATOM 973 NZ LYS A 703 4.010 6.939 -4.311 1.00 0.00 N ATOM 0 H LYS A 703 6.315 0.873 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 703 4.407 2.929 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 703 6.844 3.227 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 703 6.451 2.705 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 703 4.923 4.999 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 703 6.544 5.273 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 703 5.692 4.046 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 703 4.091 4.369 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 703 6.103 6.616 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 703 5.268 6.104 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 703 4.097 7.900 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 703 3.147 6.493 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 703 3.956 6.988 -3.274 1.00 0.00 H new ATOM 987 N GLN A 704 4.152 1.244 -3.856 1.00 0.00 N ATOM 988 CA GLN A 704 3.248 0.935 -4.957 1.00 0.00 C ATOM 989 C GLN A 704 1.878 0.514 -4.435 1.00 0.00 C ATOM 990 O GLN A 704 0.858 1.103 -4.793 1.00 0.00 O ATOM 991 CB GLN A 704 3.836 -0.173 -5.832 1.00 0.00 C ATOM 992 CG GLN A 704 4.703 0.344 -6.968 1.00 0.00 C ATOM 993 CD GLN A 704 4.047 1.476 -7.734 1.00 0.00 C ATOM 994 OE1 GLN A 704 4.408 2.642 -7.571 1.00 0.00 O ATOM 995 NE2 GLN A 704 3.077 1.138 -8.576 1.00 0.00 N ATOM 0 H GLN A 704 5.020 0.708 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 704 3.126 1.836 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 704 4.430 -0.841 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 704 3.022 -0.766 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 704 5.656 0.687 -6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 704 4.923 -0.474 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 704 2.810 0.159 -8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 704 2.599 1.857 -9.119 1.00 0.00 H new ATOM 1004 N VAL A 705 1.862 -0.509 -3.586 1.00 0.00 N ATOM 1005 CA VAL A 705 0.618 -1.008 -3.014 1.00 0.00 C ATOM 1006 C VAL A 705 -0.134 0.098 -2.283 1.00 0.00 C ATOM 1007 O VAL A 705 -1.334 0.285 -2.484 1.00 0.00 O ATOM 1008 CB VAL A 705 0.877 -2.170 -2.036 1.00 0.00 C ATOM 1009 CG1 VAL A 705 -0.390 -2.513 -1.266 1.00 0.00 C ATOM 1010 CG2 VAL A 705 1.402 -3.387 -2.783 1.00 0.00 C ATOM 0 H VAL A 705 2.697 -1.008 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 705 0.011 -1.369 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 705 1.636 -1.856 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 705 -0.188 -3.336 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 705 -0.719 -1.642 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 705 -1.172 -2.808 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 705 1.580 -4.198 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 705 0.668 -3.704 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 705 2.335 -3.131 -3.284 1.00 0.00 H new ATOM 1020 N PHE A 706 0.580 0.830 -1.434 1.00 0.00 N ATOM 1021 CA PHE A 706 -0.020 1.919 -0.672 1.00 0.00 C ATOM 1022 C PHE A 706 -0.698 2.923 -1.599 1.00 0.00 C ATOM 1023 O PHE A 706 -1.823 3.355 -1.348 1.00 0.00 O ATOM 1024 CB PHE A 706 1.043 2.625 0.172 1.00 0.00 C ATOM 1025 CG PHE A 706 0.647 4.009 0.601 1.00 0.00 C ATOM 1026 CD1 PHE A 706 -0.198 4.197 1.684 1.00 0.00 C ATOM 1027 CD2 PHE A 706 1.118 5.121 -0.077 1.00 0.00 C ATOM 1028 CE1 PHE A 706 -0.565 5.469 2.080 1.00 0.00 C ATOM 1029 CE2 PHE A 706 0.755 6.396 0.315 1.00 0.00 C ATOM 1030 CZ PHE A 706 -0.087 6.570 1.396 1.00 0.00 C ATOM 0 H PHE A 706 1.574 0.689 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 706 -0.775 1.493 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 706 1.250 2.024 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 706 1.970 2.682 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 706 -0.573 3.340 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 706 1.777 4.990 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 706 -1.225 5.602 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 706 1.129 7.254 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 706 -0.371 7.565 1.706 1.00 0.00 H new ATOM 1040 N ASP A 707 -0.006 3.289 -2.672 1.00 0.00 N ATOM 1041 CA ASP A 707 -0.540 4.242 -3.638 1.00 0.00 C ATOM 1042 C ASP A 707 -1.890 3.774 -4.173 1.00 0.00 C ATOM 1043 O ASP A 707 -2.848 4.545 -4.225 1.00 0.00 O ATOM 1044 CB ASP A 707 0.442 4.433 -4.795 1.00 0.00 C ATOM 1045 CG ASP A 707 0.200 5.723 -5.553 1.00 0.00 C ATOM 1046 OD1 ASP A 707 -0.133 6.738 -4.906 1.00 0.00 O ATOM 1047 OD2 ASP A 707 0.343 5.719 -6.794 1.00 0.00 O ATOM 0 H ASP A 707 0.926 2.940 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 707 -0.681 5.196 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 707 1.461 4.428 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 707 0.358 3.590 -5.482 1.00 0.00 H new ATOM 1052 N GLN A 708 -1.958 2.507 -4.569 1.00 0.00 N ATOM 1053 CA GLN A 708 -3.190 1.938 -5.101 1.00 0.00 C ATOM 1054 C GLN A 708 -4.282 1.912 -4.036 1.00 0.00 C ATOM 1055 O GLN A 708 -5.444 2.202 -4.317 1.00 0.00 O ATOM 1056 CB GLN A 708 -2.939 0.524 -5.625 1.00 0.00 C ATOM 1057 CG GLN A 708 -1.808 0.442 -6.638 1.00 0.00 C ATOM 1058 CD GLN A 708 -1.995 -0.686 -7.633 1.00 0.00 C ATOM 1059 OE1 GLN A 708 -3.077 -0.859 -8.196 1.00 0.00 O ATOM 1060 NE2 GLN A 708 -0.940 -1.460 -7.856 1.00 0.00 N ATOM 0 H GLN A 708 -1.174 1.855 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 708 -3.526 2.569 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 708 -2.711 -0.131 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 708 -3.854 0.148 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 708 -1.738 1.388 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 708 -0.864 0.304 -6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 708 -0.063 -1.280 -7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 708 -1.006 -2.235 -8.516 1.00 0.00 H new ATOM 1069 N TYR A 709 -3.899 1.562 -2.813 1.00 0.00 N ATOM 1070 CA TYR A 709 -4.846 1.494 -1.706 1.00 0.00 C ATOM 1071 C TYR A 709 -5.425 2.872 -1.400 1.00 0.00 C ATOM 1072 O TYR A 709 -6.634 3.027 -1.226 1.00 0.00 O ATOM 1073 CB TYR A 709 -4.166 0.926 -0.459 1.00 0.00 C ATOM 1074 CG TYR A 709 -4.895 1.245 0.827 1.00 0.00 C ATOM 1075 CD1 TYR A 709 -5.885 0.401 1.315 1.00 0.00 C ATOM 1076 CD2 TYR A 709 -4.594 2.391 1.553 1.00 0.00 C ATOM 1077 CE1 TYR A 709 -6.553 0.689 2.489 1.00 0.00 C ATOM 1078 CE2 TYR A 709 -5.256 2.686 2.728 1.00 0.00 C ATOM 1079 CZ TYR A 709 -6.235 1.832 3.192 1.00 0.00 C ATOM 1080 OH TYR A 709 -6.899 2.123 4.362 1.00 0.00 O ATOM 0 H TYR A 709 -2.940 1.321 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 709 -5.662 0.833 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 709 -4.084 -0.156 -0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 709 -3.151 1.318 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 709 -6.136 -0.495 0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 709 -3.829 3.062 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 709 -7.320 0.023 2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 709 -5.009 3.580 3.281 1.00 0.00 H new ATOM 0 HH TYR A 709 -6.555 2.962 4.733 1.00 0.00 H new ATOM 1090 N VAL A 710 -4.552 3.872 -1.335 1.00 0.00 N ATOM 1091 CA VAL A 710 -4.974 5.239 -1.051 1.00 0.00 C ATOM 1092 C VAL A 710 -5.882 5.773 -2.153 1.00 0.00 C ATOM 1093 O VAL A 710 -6.951 6.320 -1.881 1.00 0.00 O ATOM 1094 CB VAL A 710 -3.764 6.180 -0.898 1.00 0.00 C ATOM 1095 CG1 VAL A 710 -4.224 7.623 -0.762 1.00 0.00 C ATOM 1096 CG2 VAL A 710 -2.917 5.767 0.297 1.00 0.00 C ATOM 0 H VAL A 710 -3.548 3.761 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 710 -5.525 5.212 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.149 6.103 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -3.356 8.273 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -4.786 7.911 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -4.861 7.721 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.066 6.442 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -3.520 5.815 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -2.557 4.748 0.153 1.00 0.00 H new ATOM 1106 N LYS A 711 -5.451 5.611 -3.399 1.00 0.00 N ATOM 1107 CA LYS A 711 -6.225 6.075 -4.544 1.00 0.00 C ATOM 1108 C LYS A 711 -7.657 5.555 -4.479 1.00 0.00 C ATOM 1109 O LYS A 711 -8.611 6.303 -4.697 1.00 0.00 O ATOM 1110 CB LYS A 711 -5.566 5.622 -5.849 1.00 0.00 C ATOM 1111 CG LYS A 711 -4.325 6.419 -6.213 1.00 0.00 C ATOM 1112 CD LYS A 711 -3.748 5.975 -7.546 1.00 0.00 C ATOM 1113 CE LYS A 711 -2.872 7.055 -8.162 1.00 0.00 C ATOM 1114 NZ LYS A 711 -1.939 6.499 -9.180 1.00 0.00 N ATOM 0 H LYS A 711 -4.568 5.161 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 711 -6.251 7.164 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 711 -5.299 4.569 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 711 -6.290 5.703 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 711 -4.573 7.479 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 711 -3.573 6.300 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 711 -3.162 5.066 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 711 -4.559 5.729 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 711 -3.503 7.814 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 711 -2.300 7.550 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 711 -1.360 7.267 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 711 -1.320 5.793 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 711 -2.485 6.049 -9.942 1.00 0.00 H new ATOM 1128 N THR A 712 -7.802 4.269 -4.175 1.00 0.00 N ATOM 1129 CA THR A 712 -9.118 3.649 -4.080 1.00 0.00 C ATOM 1130 C THR A 712 -9.860 4.122 -2.836 1.00 0.00 C ATOM 1131 O THR A 712 -11.062 4.384 -2.880 1.00 0.00 O ATOM 1132 CB THR A 712 -9.015 2.113 -4.050 1.00 0.00 C ATOM 1133 OG1 THR A 712 -7.801 1.716 -3.402 1.00 0.00 O ATOM 1134 CG2 THR A 712 -9.055 1.540 -5.458 1.00 0.00 C ATOM 0 H THR A 712 -7.024 3.636 -3.990 1.00 0.00 H new ATOM 0 HA THR A 712 -9.674 3.951 -4.968 1.00 0.00 H new ATOM 0 HB THR A 712 -9.868 1.725 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 712 -7.065 1.728 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 712 -8.981 0.454 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 712 -9.993 1.819 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 712 -8.220 1.936 -6.036 1.00 0.00 H new ATOM 1142 N ARG A 713 -9.137 4.230 -1.726 1.00 0.00 N ATOM 1143 CA ARG A 713 -9.728 4.672 -0.469 1.00 0.00 C ATOM 1144 C ARG A 713 -10.333 6.065 -0.612 1.00 0.00 C ATOM 1145 O ARG A 713 -11.340 6.383 0.021 1.00 0.00 O ATOM 1146 CB ARG A 713 -8.675 4.673 0.641 1.00 0.00 C ATOM 1147 CG ARG A 713 -8.416 3.299 1.238 1.00 0.00 C ATOM 1148 CD ARG A 713 -9.539 2.878 2.172 1.00 0.00 C ATOM 1149 NE ARG A 713 -10.596 2.156 1.468 1.00 0.00 N ATOM 1150 CZ ARG A 713 -11.743 1.797 2.033 1.00 0.00 C ATOM 1151 NH1 ARG A 713 -11.980 2.090 3.304 1.00 0.00 N ATOM 1152 NH2 ARG A 713 -12.656 1.142 1.326 1.00 0.00 N ATOM 0 H ARG A 713 -8.141 4.017 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 713 -10.524 3.975 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 713 -7.741 5.069 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 713 -8.996 5.349 1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 713 -8.313 2.567 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 713 -7.472 3.310 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 713 -9.135 2.247 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 713 -9.961 3.761 2.652 1.00 0.00 H new ATOM 0 HE ARG A 713 -10.445 1.914 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 713 -11.281 2.592 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 713 -12.862 1.813 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 713 -12.477 0.914 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 713 -13.537 0.867 1.761 1.00 0.00 H new ATOM 1166 N ALA A 714 -9.712 6.891 -1.447 1.00 0.00 N ATOM 1167 CA ALA A 714 -10.190 8.249 -1.674 1.00 0.00 C ATOM 1168 C ALA A 714 -11.334 8.267 -2.684 1.00 0.00 C ATOM 1169 O ALA A 714 -12.414 8.785 -2.402 1.00 0.00 O ATOM 1170 CB ALA A 714 -9.050 9.138 -2.150 1.00 0.00 C ATOM 0 H ALA A 714 -8.877 6.644 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 714 -10.568 8.637 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 714 -9.422 10.149 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 714 -8.265 9.159 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 714 -8.645 8.743 -3.082 1.00 0.00 H new