USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 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 679 SER OG : rot 53:sc= -0.41 USER MOD Set 1.2: A 683 LYS NZ :NH3+ -125:sc= -0.139 (180deg=-1.55!) USER MOD Set 1.3: A 687 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Single : A 663 MET CE :methyl -114:sc= -1.05 (180deg=-4.46!) USER MOD Single : A 664 LYS NZ :NH3+ 151:sc= -0.349 (180deg=-1.5!) USER MOD Single : A 665 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 669 MET CE :methyl -165:sc= -3.63 (180deg=-4.55!) USER MOD Single : A 676 SER OG : rot 180:sc= 0 USER MOD Single : A 680 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 686 HIS : no HD1:sc= -8.24! C(o=-8.2!,f=-9.3!) USER MOD Single : A 694 TYR OH : rot 180:sc= -0.398 USER MOD Single : A 698 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 700 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 703 LYS NZ :NH3+ -159:sc= -0.0606 (180deg=-0.405) USER MOD Single : A 704 GLN :FLIP amide:sc= -0.488 F(o=-1.1,f=-0.49) USER MOD Single : A 708 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.1!) USER MOD Single : A 709 TYR OH : rot 15:sc= -0.449 USER MOD Single : A 711 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 712 THR OG1 : rot 8:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 184 N PRO A 658 2.775 -16.696 -0.773 1.00 0.00 N ATOM 185 CA PRO A 658 2.283 -16.184 -2.056 1.00 0.00 C ATOM 186 C PRO A 658 2.062 -14.676 -2.032 1.00 0.00 C ATOM 187 O PRO A 658 1.790 -14.094 -0.981 1.00 0.00 O ATOM 188 CB PRO A 658 0.952 -16.917 -2.243 1.00 0.00 C ATOM 189 CG PRO A 658 0.509 -17.256 -0.862 1.00 0.00 C ATOM 190 CD PRO A 658 1.765 -17.509 -0.074 1.00 0.00 C ATOM 0 HA PRO A 658 2.996 -16.353 -2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 658 0.221 -16.287 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 658 1.076 -17.814 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 658 -0.068 -16.440 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 658 -0.134 -18.136 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 658 1.655 -17.205 0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 658 2.032 -18.566 -0.071 1.00 0.00 H new ATOM 198 N LEU A 659 2.180 -14.047 -3.196 1.00 0.00 N ATOM 199 CA LEU A 659 1.993 -12.605 -3.309 1.00 0.00 C ATOM 200 C LEU A 659 0.701 -12.168 -2.627 1.00 0.00 C ATOM 201 O LEU A 659 0.677 -11.176 -1.900 1.00 0.00 O ATOM 202 CB LEU A 659 1.973 -12.187 -4.781 1.00 0.00 C ATOM 203 CG LEU A 659 1.540 -10.748 -5.064 1.00 0.00 C ATOM 204 CD1 LEU A 659 2.686 -9.784 -4.796 1.00 0.00 C ATOM 205 CD2 LEU A 659 1.050 -10.611 -6.498 1.00 0.00 C ATOM 0 H LEU A 659 2.404 -14.513 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 659 2.829 -12.115 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 659 2.972 -12.332 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 659 1.305 -12.859 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 659 0.717 -10.498 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 659 2.360 -8.765 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 659 2.991 -9.863 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 659 3.529 -10.033 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 659 0.746 -9.581 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 659 1.853 -10.880 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 659 0.200 -11.274 -6.657 1.00 0.00 H new ATOM 217 N GLU A 660 -0.371 -12.918 -2.866 1.00 0.00 N ATOM 218 CA GLU A 660 -1.666 -12.608 -2.272 1.00 0.00 C ATOM 219 C GLU A 660 -1.581 -12.609 -0.749 1.00 0.00 C ATOM 220 O GLU A 660 -2.144 -11.739 -0.085 1.00 0.00 O ATOM 221 CB GLU A 660 -2.719 -13.618 -2.735 1.00 0.00 C ATOM 222 CG GLU A 660 -3.281 -13.322 -4.115 1.00 0.00 C ATOM 223 CD GLU A 660 -4.580 -14.055 -4.386 1.00 0.00 C ATOM 224 OE1 GLU A 660 -4.575 -15.304 -4.348 1.00 0.00 O ATOM 225 OE2 GLU A 660 -5.602 -13.382 -4.636 1.00 0.00 O ATOM 0 H GLU A 660 -0.368 -13.743 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 660 -1.958 -11.611 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -2.278 -14.615 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -3.537 -13.634 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -3.446 -12.249 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -2.546 -13.602 -4.870 1.00 0.00 H new ATOM 232 N ALA A 661 -0.873 -13.591 -0.202 1.00 0.00 N ATOM 233 CA ALA A 661 -0.712 -13.705 1.243 1.00 0.00 C ATOM 234 C ALA A 661 -0.013 -12.477 1.815 1.00 0.00 C ATOM 235 O ALA A 661 -0.601 -11.721 2.590 1.00 0.00 O ATOM 236 CB ALA A 661 0.065 -14.966 1.590 1.00 0.00 C ATOM 0 H ALA A 661 -0.401 -14.320 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 661 -1.704 -13.768 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 661 0.178 -15.038 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 661 -0.475 -15.839 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 661 1.050 -14.926 1.125 1.00 0.00 H new ATOM 242 N ARG A 662 1.244 -12.284 1.430 1.00 0.00 N ATOM 243 CA ARG A 662 2.023 -11.148 1.907 1.00 0.00 C ATOM 244 C ARG A 662 1.280 -9.838 1.664 1.00 0.00 C ATOM 245 O ARG A 662 1.067 -9.052 2.588 1.00 0.00 O ATOM 246 CB ARG A 662 3.386 -11.109 1.214 1.00 0.00 C ATOM 247 CG ARG A 662 3.302 -11.216 -0.300 1.00 0.00 C ATOM 248 CD ARG A 662 4.622 -11.675 -0.900 1.00 0.00 C ATOM 249 NE ARG A 662 4.826 -11.144 -2.245 1.00 0.00 N ATOM 250 CZ ARG A 662 5.718 -11.631 -3.101 1.00 0.00 C ATOM 251 NH1 ARG A 662 6.484 -12.656 -2.752 1.00 0.00 N ATOM 252 NH2 ARG A 662 5.844 -11.094 -4.307 1.00 0.00 N ATOM 0 H ARG A 662 1.745 -12.900 0.789 1.00 0.00 H new ATOM 0 HA ARG A 662 2.172 -11.268 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 662 3.891 -10.180 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 662 4.001 -11.925 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 662 2.514 -11.917 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 662 3.027 -10.248 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 662 5.443 -11.357 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 662 4.646 -12.764 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 662 4.252 -10.356 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 662 6.389 -13.072 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 662 7.168 -13.029 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 662 5.256 -10.306 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 662 6.529 -11.469 -4.963 1.00 0.00 H new ATOM 266 N MET A 663 0.887 -9.609 0.415 1.00 0.00 N ATOM 267 CA MET A 663 0.167 -8.394 0.051 1.00 0.00 C ATOM 268 C MET A 663 -1.031 -8.177 0.970 1.00 0.00 C ATOM 269 O MET A 663 -1.258 -7.070 1.460 1.00 0.00 O ATOM 270 CB MET A 663 -0.298 -8.469 -1.405 1.00 0.00 C ATOM 271 CG MET A 663 0.800 -8.161 -2.410 1.00 0.00 C ATOM 272 SD MET A 663 0.158 -7.858 -4.068 1.00 0.00 S ATOM 273 CE MET A 663 0.949 -6.299 -4.457 1.00 0.00 C ATOM 0 H MET A 663 1.055 -10.249 -0.362 1.00 0.00 H new ATOM 0 HA MET A 663 0.847 -7.550 0.164 1.00 0.00 H new ATOM 0 HB2 MET A 663 -0.690 -9.467 -1.602 1.00 0.00 H new ATOM 0 HB3 MET A 663 -1.120 -7.769 -1.552 1.00 0.00 H new ATOM 0 HG2 MET A 663 1.359 -7.287 -2.075 1.00 0.00 H new ATOM 0 HG3 MET A 663 1.502 -8.995 -2.443 1.00 0.00 H new ATOM 0 HE1 MET A 663 0.193 -5.519 -4.543 1.00 0.00 H new ATOM 0 HE2 MET A 663 1.650 -6.039 -3.664 1.00 0.00 H new ATOM 0 HE3 MET A 663 1.486 -6.389 -5.401 1.00 0.00 H new ATOM 283 N LYS A 664 -1.796 -9.239 1.198 1.00 0.00 N ATOM 284 CA LYS A 664 -2.971 -9.165 2.059 1.00 0.00 C ATOM 285 C LYS A 664 -2.606 -8.607 3.431 1.00 0.00 C ATOM 286 O LYS A 664 -3.320 -7.767 3.979 1.00 0.00 O ATOM 287 CB LYS A 664 -3.604 -10.549 2.212 1.00 0.00 C ATOM 288 CG LYS A 664 -4.539 -10.920 1.073 1.00 0.00 C ATOM 289 CD LYS A 664 -5.965 -10.479 1.356 1.00 0.00 C ATOM 290 CE LYS A 664 -6.225 -9.070 0.845 1.00 0.00 C ATOM 291 NZ LYS A 664 -5.800 -8.908 -0.573 1.00 0.00 N ATOM 0 H LYS A 664 -1.624 -10.162 0.799 1.00 0.00 H new ATOM 0 HA LYS A 664 -3.691 -8.492 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 664 -2.813 -11.296 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 664 -4.157 -10.585 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 664 -4.191 -10.457 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 664 -4.515 -11.999 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 664 -6.662 -11.172 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 664 -6.153 -10.518 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 664 -7.287 -8.841 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 664 -5.691 -8.353 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 -6.390 -8.184 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 -4.803 -8.614 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 -5.910 -9.813 -1.074 1.00 0.00 H new ATOM 305 N GLN A 665 -1.490 -9.077 3.979 1.00 0.00 N ATOM 306 CA GLN A 665 -1.032 -8.624 5.286 1.00 0.00 C ATOM 307 C GLN A 665 -0.791 -7.118 5.286 1.00 0.00 C ATOM 308 O GLN A 665 -1.397 -6.382 6.066 1.00 0.00 O ATOM 309 CB GLN A 665 0.251 -9.357 5.683 1.00 0.00 C ATOM 310 CG GLN A 665 0.032 -10.822 6.026 1.00 0.00 C ATOM 311 CD GLN A 665 -0.266 -11.039 7.497 1.00 0.00 C ATOM 312 OE1 GLN A 665 -1.091 -10.338 8.084 1.00 0.00 O ATOM 313 NE2 GLN A 665 0.405 -12.012 8.100 1.00 0.00 N ATOM 0 H GLN A 665 -0.887 -9.771 3.538 1.00 0.00 H new ATOM 0 HA GLN A 665 -1.811 -8.850 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 665 0.968 -9.287 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 665 0.697 -8.854 6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 665 -0.794 -11.211 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 665 0.919 -11.392 5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 665 1.079 -12.568 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 665 0.246 -12.204 9.089 1.00 0.00 H new ATOM 322 N PHE A 666 0.097 -6.665 4.408 1.00 0.00 N ATOM 323 CA PHE A 666 0.419 -5.247 4.307 1.00 0.00 C ATOM 324 C PHE A 666 -0.850 -4.408 4.188 1.00 0.00 C ATOM 325 O PHE A 666 -1.044 -3.444 4.929 1.00 0.00 O ATOM 326 CB PHE A 666 1.328 -4.992 3.102 1.00 0.00 C ATOM 327 CG PHE A 666 2.048 -3.676 3.163 1.00 0.00 C ATOM 328 CD1 PHE A 666 3.223 -3.547 3.887 1.00 0.00 C ATOM 329 CD2 PHE A 666 1.551 -2.568 2.496 1.00 0.00 C ATOM 330 CE1 PHE A 666 3.889 -2.337 3.944 1.00 0.00 C ATOM 331 CE2 PHE A 666 2.213 -1.356 2.549 1.00 0.00 C ATOM 332 CZ PHE A 666 3.383 -1.240 3.275 1.00 0.00 C ATOM 0 H PHE A 666 0.607 -7.260 3.755 1.00 0.00 H new ATOM 0 HA PHE A 666 0.943 -4.954 5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 666 2.061 -5.796 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 666 0.730 -5.028 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 666 3.623 -4.402 4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 666 0.636 -2.652 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 666 4.804 -2.250 4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 666 1.816 -0.500 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 666 3.901 -0.293 3.319 1.00 0.00 H new ATOM 342 N LYS A 667 -1.712 -4.781 3.248 1.00 0.00 N ATOM 343 CA LYS A 667 -2.964 -4.066 3.030 1.00 0.00 C ATOM 344 C LYS A 667 -3.839 -4.107 4.278 1.00 0.00 C ATOM 345 O LYS A 667 -4.543 -3.145 4.587 1.00 0.00 O ATOM 346 CB LYS A 667 -3.720 -4.669 1.844 1.00 0.00 C ATOM 347 CG LYS A 667 -4.768 -3.741 1.255 1.00 0.00 C ATOM 348 CD LYS A 667 -5.629 -4.454 0.225 1.00 0.00 C ATOM 349 CE LYS A 667 -6.983 -3.780 0.069 1.00 0.00 C ATOM 350 NZ LYS A 667 -8.022 -4.730 -0.419 1.00 0.00 N ATOM 0 H LYS A 667 -1.566 -5.575 2.625 1.00 0.00 H new ATOM 0 HA LYS A 667 -2.725 -3.026 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.005 -4.936 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.203 -5.592 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.401 -3.352 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.278 -2.885 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.114 -4.466 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -5.771 -5.493 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -7.294 -3.363 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -6.896 -2.947 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -8.931 -4.233 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.738 -5.109 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -8.123 -5.512 0.259 1.00 0.00 H new ATOM 364 N ASP A 668 -3.789 -5.226 4.994 1.00 0.00 N ATOM 365 CA ASP A 668 -4.576 -5.391 6.210 1.00 0.00 C ATOM 366 C ASP A 668 -4.177 -4.358 7.260 1.00 0.00 C ATOM 367 O ASP A 668 -5.013 -3.595 7.743 1.00 0.00 O ATOM 368 CB ASP A 668 -4.395 -6.802 6.772 1.00 0.00 C ATOM 369 CG ASP A 668 -5.070 -6.980 8.118 1.00 0.00 C ATOM 370 OD1 ASP A 668 -4.580 -6.400 9.108 1.00 0.00 O ATOM 371 OD2 ASP A 668 -6.089 -7.701 8.180 1.00 0.00 O ATOM 0 H ASP A 668 -3.212 -6.032 4.753 1.00 0.00 H new ATOM 0 HA ASP A 668 -5.626 -5.240 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 668 -4.802 -7.526 6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 668 -3.331 -7.017 6.871 1.00 0.00 H new ATOM 376 N MET A 669 -2.895 -4.340 7.608 1.00 0.00 N ATOM 377 CA MET A 669 -2.386 -3.400 8.600 1.00 0.00 C ATOM 378 C MET A 669 -2.622 -1.960 8.156 1.00 0.00 C ATOM 379 O MET A 669 -2.906 -1.086 8.976 1.00 0.00 O ATOM 380 CB MET A 669 -0.892 -3.635 8.837 1.00 0.00 C ATOM 381 CG MET A 669 -0.090 -3.783 7.554 1.00 0.00 C ATOM 382 SD MET A 669 1.685 -3.885 7.854 1.00 0.00 S ATOM 383 CE MET A 669 2.290 -2.613 6.748 1.00 0.00 C ATOM 0 H MET A 669 -2.190 -4.965 7.218 1.00 0.00 H new ATOM 0 HA MET A 669 -2.925 -3.567 9.532 1.00 0.00 H new ATOM 0 HB2 MET A 669 -0.489 -2.803 9.414 1.00 0.00 H new ATOM 0 HB3 MET A 669 -0.765 -4.533 9.441 1.00 0.00 H new ATOM 0 HG2 MET A 669 -0.418 -4.679 7.026 1.00 0.00 H new ATOM 0 HG3 MET A 669 -0.296 -2.935 6.901 1.00 0.00 H new ATOM 0 HE1 MET A 669 3.366 -2.728 6.615 1.00 0.00 H new ATOM 0 HE2 MET A 669 1.793 -2.704 5.782 1.00 0.00 H new ATOM 0 HE3 MET A 669 2.080 -1.631 7.173 1.00 0.00 H new ATOM 393 N LEU A 670 -2.503 -1.720 6.855 1.00 0.00 N ATOM 394 CA LEU A 670 -2.703 -0.385 6.303 1.00 0.00 C ATOM 395 C LEU A 670 -4.086 0.150 6.660 1.00 0.00 C ATOM 396 O LEU A 670 -4.225 1.282 7.127 1.00 0.00 O ATOM 397 CB LEU A 670 -2.530 -0.409 4.783 1.00 0.00 C ATOM 398 CG LEU A 670 -1.089 -0.412 4.272 1.00 0.00 C ATOM 399 CD1 LEU A 670 -1.057 -0.627 2.767 1.00 0.00 C ATOM 400 CD2 LEU A 670 -0.389 0.888 4.641 1.00 0.00 C ATOM 0 H LEU A 670 -2.269 -2.432 6.163 1.00 0.00 H new ATOM 0 HA LEU A 670 -1.954 0.277 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 670 -3.034 -1.294 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -3.041 0.459 4.365 1.00 0.00 H new ATOM 0 HG LEU A 670 -0.557 -1.236 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 670 -0.023 -0.626 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 670 -1.519 -1.584 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -1.605 0.175 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 670 0.635 0.868 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -0.921 1.727 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 670 -0.379 1.001 5.725 1.00 0.00 H new ATOM 412 N LEU A 671 -5.107 -0.670 6.439 1.00 0.00 N ATOM 413 CA LEU A 671 -6.481 -0.281 6.739 1.00 0.00 C ATOM 414 C LEU A 671 -6.718 -0.240 8.246 1.00 0.00 C ATOM 415 O LEU A 671 -7.314 0.703 8.764 1.00 0.00 O ATOM 416 CB LEU A 671 -7.463 -1.253 6.083 1.00 0.00 C ATOM 417 CG LEU A 671 -8.932 -0.830 6.091 1.00 0.00 C ATOM 418 CD1 LEU A 671 -9.145 0.380 5.195 1.00 0.00 C ATOM 419 CD2 LEU A 671 -9.821 -1.984 5.652 1.00 0.00 C ATOM 0 H LEU A 671 -5.010 -1.609 6.053 1.00 0.00 H new ATOM 0 HA LEU A 671 -6.646 0.718 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 671 -7.155 -1.406 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 671 -7.380 -2.216 6.586 1.00 0.00 H new ATOM 0 HG LEU A 671 -9.205 -0.554 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 671 -10.197 0.666 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 671 -8.537 1.210 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 671 -8.855 0.132 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 671 -10.863 -1.665 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 671 -9.547 -2.291 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 671 -9.691 -2.824 6.335 1.00 0.00 H new ATOM 431 N GLU A 672 -6.246 -1.269 8.942 1.00 0.00 N ATOM 432 CA GLU A 672 -6.406 -1.350 10.389 1.00 0.00 C ATOM 433 C GLU A 672 -5.704 -0.184 11.080 1.00 0.00 C ATOM 434 O GLU A 672 -6.348 0.669 11.691 1.00 0.00 O ATOM 435 CB GLU A 672 -5.851 -2.676 10.913 1.00 0.00 C ATOM 436 CG GLU A 672 -6.865 -3.808 10.898 1.00 0.00 C ATOM 437 CD GLU A 672 -6.409 -5.010 11.702 1.00 0.00 C ATOM 438 OE1 GLU A 672 -5.195 -5.306 11.690 1.00 0.00 O ATOM 439 OE2 GLU A 672 -7.265 -5.655 12.343 1.00 0.00 O ATOM 0 H GLU A 672 -5.750 -2.058 8.528 1.00 0.00 H new ATOM 0 HA GLU A 672 -7.471 -1.296 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.989 -2.963 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -5.493 -2.533 11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.813 -3.447 11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.048 -4.113 9.868 1.00 0.00 H new ATOM 446 N ARG A 673 -4.379 -0.155 10.978 1.00 0.00 N ATOM 447 CA ARG A 673 -3.589 0.905 11.594 1.00 0.00 C ATOM 448 C ARG A 673 -4.260 2.262 11.407 1.00 0.00 C ATOM 449 O ARG A 673 -4.032 3.191 12.181 1.00 0.00 O ATOM 450 CB ARG A 673 -2.181 0.933 10.996 1.00 0.00 C ATOM 451 CG ARG A 673 -1.256 -0.132 11.563 1.00 0.00 C ATOM 452 CD ARG A 673 -0.718 0.268 12.928 1.00 0.00 C ATOM 453 NE ARG A 673 -1.590 -0.177 14.011 1.00 0.00 N ATOM 454 CZ ARG A 673 -1.225 -0.194 15.288 1.00 0.00 C ATOM 455 NH1 ARG A 673 -0.011 0.207 15.640 1.00 0.00 N ATOM 456 NH2 ARG A 673 -2.076 -0.612 16.217 1.00 0.00 N ATOM 0 H ARG A 673 -3.830 -0.853 10.475 1.00 0.00 H new ATOM 0 HA ARG A 673 -3.519 0.698 12.662 1.00 0.00 H new ATOM 0 HB2 ARG A 673 -2.252 0.803 9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 673 -1.741 1.915 11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 673 -1.794 -1.077 11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 673 -0.425 -0.297 10.877 1.00 0.00 H new ATOM 0 HD2 ARG A 673 0.276 -0.158 13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 673 -0.610 1.352 12.972 1.00 0.00 H new ATOM 0 HE ARG A 673 -2.531 -0.492 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 673 0.646 0.530 14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 673 0.266 0.193 16.622 1.00 0.00 H new ATOM 0 HH21 ARG A 673 -3.011 -0.920 15.950 1.00 0.00 H new ATOM 0 HH22 ARG A 673 -1.795 -0.625 17.197 1.00 0.00 H new ATOM 470 N GLY A 674 -5.089 2.370 10.373 1.00 0.00 N ATOM 471 CA GLY A 674 -5.780 3.617 10.103 1.00 0.00 C ATOM 472 C GLY A 674 -4.957 4.562 9.250 1.00 0.00 C ATOM 473 O GLY A 674 -4.844 5.749 9.558 1.00 0.00 O ATOM 0 H GLY A 674 -5.294 1.616 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 674 -6.723 3.405 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 674 -6.026 4.104 11.046 1.00 0.00 H new ATOM 477 N VAL A 675 -4.380 4.036 8.175 1.00 0.00 N ATOM 478 CA VAL A 675 -3.563 4.841 7.274 1.00 0.00 C ATOM 479 C VAL A 675 -4.426 5.788 6.448 1.00 0.00 C ATOM 480 O VAL A 675 -5.119 5.365 5.523 1.00 0.00 O ATOM 481 CB VAL A 675 -2.737 3.955 6.323 1.00 0.00 C ATOM 482 CG1 VAL A 675 -2.213 4.772 5.152 1.00 0.00 C ATOM 483 CG2 VAL A 675 -1.593 3.291 7.074 1.00 0.00 C ATOM 0 H VAL A 675 -4.463 3.056 7.906 1.00 0.00 H new ATOM 0 HA VAL A 675 -2.884 5.423 7.897 1.00 0.00 H new ATOM 0 HB VAL A 675 -3.385 3.173 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -1.632 4.129 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -3.052 5.196 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -1.579 5.577 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -1.020 2.669 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -0.943 4.057 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -1.995 2.671 7.876 1.00 0.00 H new ATOM 493 N SER A 676 -4.378 7.072 6.788 1.00 0.00 N ATOM 494 CA SER A 676 -5.158 8.080 6.080 1.00 0.00 C ATOM 495 C SER A 676 -4.683 8.220 4.637 1.00 0.00 C ATOM 496 O SER A 676 -3.484 8.184 4.361 1.00 0.00 O ATOM 497 CB SER A 676 -5.058 9.429 6.795 1.00 0.00 C ATOM 498 OG SER A 676 -6.028 10.339 6.306 1.00 0.00 O ATOM 0 H SER A 676 -3.807 7.439 7.550 1.00 0.00 H new ATOM 0 HA SER A 676 -6.199 7.758 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 676 -5.196 9.287 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 676 -4.061 9.846 6.654 1.00 0.00 H new ATOM 0 HG SER A 676 -5.944 11.193 6.780 1.00 0.00 H new ATOM 504 N ALA A 677 -5.632 8.379 3.720 1.00 0.00 N ATOM 505 CA ALA A 677 -5.312 8.526 2.306 1.00 0.00 C ATOM 506 C ALA A 677 -4.845 9.944 1.994 1.00 0.00 C ATOM 507 O ALA A 677 -3.869 10.142 1.270 1.00 0.00 O ATOM 508 CB ALA A 677 -6.517 8.165 1.451 1.00 0.00 C ATOM 0 H ALA A 677 -6.629 8.409 3.932 1.00 0.00 H new ATOM 0 HA ALA A 677 -4.496 7.842 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 677 -6.263 8.280 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 677 -6.804 7.131 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 677 -7.349 8.825 1.697 1.00 0.00 H new ATOM 514 N PHE A 678 -5.549 10.928 2.543 1.00 0.00 N ATOM 515 CA PHE A 678 -5.207 12.328 2.321 1.00 0.00 C ATOM 516 C PHE A 678 -3.832 12.651 2.898 1.00 0.00 C ATOM 517 O PHE A 678 -3.196 13.628 2.505 1.00 0.00 O ATOM 518 CB PHE A 678 -6.263 13.239 2.951 1.00 0.00 C ATOM 519 CG PHE A 678 -7.635 13.060 2.367 1.00 0.00 C ATOM 520 CD1 PHE A 678 -7.988 13.694 1.187 1.00 0.00 C ATOM 521 CD2 PHE A 678 -8.572 12.257 2.997 1.00 0.00 C ATOM 522 CE1 PHE A 678 -9.250 13.532 0.646 1.00 0.00 C ATOM 523 CE2 PHE A 678 -9.835 12.090 2.461 1.00 0.00 C ATOM 524 CZ PHE A 678 -10.174 12.729 1.284 1.00 0.00 C ATOM 0 H PHE A 678 -6.360 10.782 3.145 1.00 0.00 H new ATOM 0 HA PHE A 678 -5.180 12.503 1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -6.305 13.046 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -5.956 14.278 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -7.269 14.323 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -8.312 11.756 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -9.512 14.033 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -10.556 11.461 2.962 1.00 0.00 H new ATOM 0 HZ PHE A 678 -11.160 12.600 0.864 1.00 0.00 H new ATOM 534 N SER A 679 -3.380 11.822 3.834 1.00 0.00 N ATOM 535 CA SER A 679 -2.083 12.020 4.469 1.00 0.00 C ATOM 536 C SER A 679 -0.949 11.762 3.481 1.00 0.00 C ATOM 537 O SER A 679 -1.184 11.514 2.298 1.00 0.00 O ATOM 538 CB SER A 679 -1.938 11.098 5.681 1.00 0.00 C ATOM 539 OG SER A 679 -2.583 11.645 6.818 1.00 0.00 O ATOM 0 H SER A 679 -3.893 11.007 4.169 1.00 0.00 H new ATOM 0 HA SER A 679 -2.024 13.056 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 679 -2.364 10.121 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 679 -0.881 10.942 5.899 1.00 0.00 H new ATOM 0 HG SER A 679 -3.510 11.869 6.592 1.00 0.00 H new ATOM 545 N THR A 680 0.284 11.823 3.976 1.00 0.00 N ATOM 546 CA THR A 680 1.455 11.597 3.138 1.00 0.00 C ATOM 547 C THR A 680 2.088 10.242 3.432 1.00 0.00 C ATOM 548 O THR A 680 1.763 9.597 4.429 1.00 0.00 O ATOM 549 CB THR A 680 2.511 12.700 3.341 1.00 0.00 C ATOM 550 OG1 THR A 680 3.587 12.524 2.412 1.00 0.00 O ATOM 551 CG2 THR A 680 3.053 12.675 4.763 1.00 0.00 C ATOM 0 H THR A 680 0.497 12.027 4.952 1.00 0.00 H new ATOM 0 HA THR A 680 1.113 11.618 2.103 1.00 0.00 H new ATOM 0 HB THR A 680 2.035 13.665 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 680 4.254 13.230 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 680 3.797 13.463 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 680 2.236 12.837 5.467 1.00 0.00 H new ATOM 0 HG23 THR A 680 3.514 11.707 4.960 1.00 0.00 H new ATOM 559 N TRP A 681 2.993 9.816 2.559 1.00 0.00 N ATOM 560 CA TRP A 681 3.673 8.536 2.725 1.00 0.00 C ATOM 561 C TRP A 681 4.625 8.577 3.916 1.00 0.00 C ATOM 562 O TRP A 681 4.913 7.548 4.526 1.00 0.00 O ATOM 563 CB TRP A 681 4.442 8.174 1.454 1.00 0.00 C ATOM 564 CG TRP A 681 5.478 7.112 1.668 1.00 0.00 C ATOM 565 CD1 TRP A 681 6.829 7.291 1.754 1.00 0.00 C ATOM 566 CD2 TRP A 681 5.246 5.708 1.821 1.00 0.00 C ATOM 567 NE1 TRP A 681 7.451 6.082 1.952 1.00 0.00 N ATOM 568 CE2 TRP A 681 6.502 5.095 1.997 1.00 0.00 C ATOM 569 CE3 TRP A 681 4.100 4.908 1.828 1.00 0.00 C ATOM 570 CZ2 TRP A 681 6.642 3.722 2.177 1.00 0.00 C ATOM 571 CZ3 TRP A 681 4.240 3.545 2.006 1.00 0.00 C ATOM 572 CH2 TRP A 681 5.503 2.963 2.179 1.00 0.00 C ATOM 0 H TRP A 681 3.273 10.338 1.729 1.00 0.00 H new ATOM 0 HA TRP A 681 2.918 7.773 2.913 1.00 0.00 H new ATOM 0 HB2 TRP A 681 3.736 7.835 0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 681 4.925 9.069 1.063 1.00 0.00 H new ATOM 0 HD1 TRP A 681 7.334 8.243 1.678 1.00 0.00 H new ATOM 0 HE1 TRP A 681 8.457 5.942 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 681 3.122 5.347 1.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 681 7.615 3.272 2.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 681 3.361 2.917 2.012 1.00 0.00 H new ATOM 0 HH2 TRP A 681 5.579 1.895 2.317 1.00 0.00 H new ATOM 583 N GLU A 682 5.110 9.771 4.240 1.00 0.00 N ATOM 584 CA GLU A 682 6.031 9.943 5.358 1.00 0.00 C ATOM 585 C GLU A 682 5.379 9.517 6.670 1.00 0.00 C ATOM 586 O GLU A 682 5.829 8.575 7.323 1.00 0.00 O ATOM 587 CB GLU A 682 6.486 11.401 5.453 1.00 0.00 C ATOM 588 CG GLU A 682 7.161 11.911 4.190 1.00 0.00 C ATOM 589 CD GLU A 682 8.029 13.128 4.444 1.00 0.00 C ATOM 590 OE1 GLU A 682 7.471 14.201 4.756 1.00 0.00 O ATOM 591 OE2 GLU A 682 9.267 13.007 4.331 1.00 0.00 O ATOM 0 H GLU A 682 4.881 10.633 3.745 1.00 0.00 H new ATOM 0 HA GLU A 682 6.900 9.309 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 682 5.622 12.029 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 682 7.176 11.504 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 682 7.772 11.116 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 682 6.400 12.160 3.451 1.00 0.00 H new ATOM 598 N LYS A 683 4.316 10.217 7.051 1.00 0.00 N ATOM 599 CA LYS A 683 3.600 9.912 8.284 1.00 0.00 C ATOM 600 C LYS A 683 3.210 8.438 8.337 1.00 0.00 C ATOM 601 O LYS A 683 3.604 7.716 9.252 1.00 0.00 O ATOM 602 CB LYS A 683 2.349 10.785 8.401 1.00 0.00 C ATOM 603 CG LYS A 683 2.591 12.102 9.118 1.00 0.00 C ATOM 604 CD LYS A 683 1.525 13.129 8.774 1.00 0.00 C ATOM 605 CE LYS A 683 0.243 12.883 9.555 1.00 0.00 C ATOM 606 NZ LYS A 683 -0.580 11.803 8.943 1.00 0.00 N ATOM 0 H LYS A 683 3.931 11.000 6.523 1.00 0.00 H new ATOM 0 HA LYS A 683 4.264 10.125 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 683 1.965 10.990 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 683 1.576 10.229 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 683 2.602 11.934 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 683 3.573 12.490 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 683 1.899 14.130 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 683 1.314 13.092 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 683 0.489 12.614 10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 683 -0.339 13.804 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 683 -1.537 12.162 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 683 -0.142 11.495 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 683 -0.636 10.997 9.597 1.00 0.00 H new ATOM 620 N GLU A 684 2.436 7.999 7.349 1.00 0.00 N ATOM 621 CA GLU A 684 1.995 6.611 7.284 1.00 0.00 C ATOM 622 C GLU A 684 3.188 5.659 7.315 1.00 0.00 C ATOM 623 O GLU A 684 3.175 4.653 8.026 1.00 0.00 O ATOM 624 CB GLU A 684 1.171 6.373 6.017 1.00 0.00 C ATOM 625 CG GLU A 684 0.035 7.365 5.834 1.00 0.00 C ATOM 626 CD GLU A 684 -0.960 7.330 6.978 1.00 0.00 C ATOM 627 OE1 GLU A 684 -0.833 6.444 7.848 1.00 0.00 O ATOM 628 OE2 GLU A 684 -1.866 8.190 7.002 1.00 0.00 O ATOM 0 H GLU A 684 2.102 8.584 6.583 1.00 0.00 H new ATOM 0 HA GLU A 684 1.372 6.413 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 684 1.830 6.424 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 684 0.760 5.364 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 684 0.446 8.371 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 684 -0.483 7.150 4.900 1.00 0.00 H new ATOM 635 N LEU A 685 4.216 5.984 6.539 1.00 0.00 N ATOM 636 CA LEU A 685 5.417 5.158 6.476 1.00 0.00 C ATOM 637 C LEU A 685 5.903 4.796 7.876 1.00 0.00 C ATOM 638 O LEU A 685 6.055 3.620 8.207 1.00 0.00 O ATOM 639 CB LEU A 685 6.523 5.890 5.714 1.00 0.00 C ATOM 640 CG LEU A 685 7.946 5.376 5.937 1.00 0.00 C ATOM 641 CD1 LEU A 685 8.219 4.164 5.059 1.00 0.00 C ATOM 642 CD2 LEU A 685 8.960 6.476 5.662 1.00 0.00 C ATOM 0 H LEU A 685 4.242 6.813 5.945 1.00 0.00 H new ATOM 0 HA LEU A 685 5.168 4.237 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 685 6.301 5.834 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 685 6.491 6.944 5.991 1.00 0.00 H new ATOM 0 HG LEU A 685 8.043 5.073 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 685 9.236 3.812 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 685 7.514 3.370 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 685 8.103 4.440 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 685 9.967 6.092 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 685 8.863 6.811 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 685 8.778 7.315 6.334 1.00 0.00 H new ATOM 654 N HIS A 686 6.144 5.815 8.695 1.00 0.00 N ATOM 655 CA HIS A 686 6.610 5.604 10.061 1.00 0.00 C ATOM 656 C HIS A 686 5.581 4.821 10.872 1.00 0.00 C ATOM 657 O HIS A 686 5.933 4.057 11.770 1.00 0.00 O ATOM 658 CB HIS A 686 6.896 6.944 10.738 1.00 0.00 C ATOM 659 CG HIS A 686 5.679 7.595 11.319 1.00 0.00 C ATOM 660 ND1 HIS A 686 5.213 8.825 10.906 1.00 0.00 N ATOM 661 CD2 HIS A 686 4.829 7.177 12.286 1.00 0.00 C ATOM 662 CE1 HIS A 686 4.130 9.137 11.595 1.00 0.00 C ATOM 663 NE2 HIS A 686 3.875 8.153 12.439 1.00 0.00 N ATOM 0 H HIS A 686 6.024 6.794 8.437 1.00 0.00 H new ATOM 0 HA HIS A 686 7.531 5.023 10.018 1.00 0.00 H new ATOM 0 HB2 HIS A 686 7.629 6.792 11.530 1.00 0.00 H new ATOM 0 HB3 HIS A 686 7.347 7.620 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 686 4.890 6.249 12.835 1.00 0.00 H new ATOM 0 HE1 HIS A 686 3.551 10.042 11.487 1.00 0.00 H new ATOM 0 HE2 HIS A 686 3.096 8.123 13.097 1.00 0.00 H new ATOM 671 N LYS A 687 4.307 5.018 10.549 1.00 0.00 N ATOM 672 CA LYS A 687 3.226 4.331 11.245 1.00 0.00 C ATOM 673 C LYS A 687 3.267 2.831 10.969 1.00 0.00 C ATOM 674 O LYS A 687 2.778 2.030 11.767 1.00 0.00 O ATOM 675 CB LYS A 687 1.872 4.902 10.818 1.00 0.00 C ATOM 676 CG LYS A 687 1.625 6.316 11.314 1.00 0.00 C ATOM 677 CD LYS A 687 0.278 6.843 10.847 1.00 0.00 C ATOM 678 CE LYS A 687 -0.143 8.074 11.636 1.00 0.00 C ATOM 679 NZ LYS A 687 -1.280 8.785 10.989 1.00 0.00 N ATOM 0 H LYS A 687 3.998 5.648 9.809 1.00 0.00 H new ATOM 0 HA LYS A 687 3.359 4.489 12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 687 1.809 4.891 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 687 1.080 4.252 11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 687 1.666 6.333 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 687 2.418 6.972 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 687 0.330 7.090 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -0.476 6.064 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -0.427 7.778 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 687 0.704 8.753 11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -1.526 9.627 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -1.007 9.075 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -2.103 8.151 10.939 1.00 0.00 H new ATOM 693 N ILE A 688 3.854 2.458 9.837 1.00 0.00 N ATOM 694 CA ILE A 688 3.960 1.055 9.458 1.00 0.00 C ATOM 695 C ILE A 688 5.418 0.641 9.287 1.00 0.00 C ATOM 696 O ILE A 688 5.711 -0.456 8.812 1.00 0.00 O ATOM 697 CB ILE A 688 3.199 0.765 8.151 1.00 0.00 C ATOM 698 CG1 ILE A 688 3.716 1.663 7.025 1.00 0.00 C ATOM 699 CG2 ILE A 688 1.705 0.966 8.353 1.00 0.00 C ATOM 700 CD1 ILE A 688 3.375 1.154 5.642 1.00 0.00 C ATOM 0 H ILE A 688 4.264 3.108 9.166 1.00 0.00 H new ATOM 0 HA ILE A 688 3.512 0.476 10.265 1.00 0.00 H new ATOM 0 HB ILE A 688 3.371 -0.274 7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 688 3.300 2.663 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 688 4.799 1.755 7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 688 1.180 0.757 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 688 1.348 0.289 9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 688 1.514 1.996 8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 688 3.772 1.840 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 688 3.814 0.167 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 688 2.292 1.088 5.535 1.00 0.00 H new ATOM 712 N VAL A 689 6.329 1.526 9.679 1.00 0.00 N ATOM 713 CA VAL A 689 7.757 1.252 9.573 1.00 0.00 C ATOM 714 C VAL A 689 8.212 0.276 10.652 1.00 0.00 C ATOM 715 O VAL A 689 9.192 -0.448 10.477 1.00 0.00 O ATOM 716 CB VAL A 689 8.586 2.545 9.682 1.00 0.00 C ATOM 717 CG1 VAL A 689 8.706 2.982 11.134 1.00 0.00 C ATOM 718 CG2 VAL A 689 9.961 2.350 9.061 1.00 0.00 C ATOM 0 H VAL A 689 6.103 2.439 10.073 1.00 0.00 H new ATOM 0 HA VAL A 689 7.921 0.806 8.592 1.00 0.00 H new ATOM 0 HB VAL A 689 8.072 3.333 9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 689 9.295 3.897 11.191 1.00 0.00 H new ATOM 0 HG12 VAL A 689 7.712 3.164 11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 689 9.197 2.198 11.711 1.00 0.00 H new ATOM 0 HG21 VAL A 689 10.533 3.274 9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 689 10.485 1.549 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 689 9.851 2.088 8.009 1.00 0.00 H new ATOM 728 N PHE A 690 7.493 0.263 11.770 1.00 0.00 N ATOM 729 CA PHE A 690 7.823 -0.624 12.880 1.00 0.00 C ATOM 730 C PHE A 690 7.209 -2.006 12.673 1.00 0.00 C ATOM 731 O PHE A 690 7.830 -3.024 12.978 1.00 0.00 O ATOM 732 CB PHE A 690 7.330 -0.028 14.200 1.00 0.00 C ATOM 733 CG PHE A 690 5.865 -0.247 14.447 1.00 0.00 C ATOM 734 CD1 PHE A 690 4.924 0.636 13.943 1.00 0.00 C ATOM 735 CD2 PHE A 690 5.429 -1.336 15.184 1.00 0.00 C ATOM 736 CE1 PHE A 690 3.575 0.437 14.170 1.00 0.00 C ATOM 737 CE2 PHE A 690 4.081 -1.541 15.414 1.00 0.00 C ATOM 738 CZ PHE A 690 3.153 -0.653 14.905 1.00 0.00 C ATOM 0 H PHE A 690 6.679 0.856 11.931 1.00 0.00 H new ATOM 0 HA PHE A 690 8.907 -0.729 12.919 1.00 0.00 H new ATOM 0 HB2 PHE A 690 7.898 -0.465 15.021 1.00 0.00 H new ATOM 0 HB3 PHE A 690 7.535 1.043 14.205 1.00 0.00 H new ATOM 0 HD1 PHE A 690 5.248 1.490 13.366 1.00 0.00 H new ATOM 0 HD2 PHE A 690 6.151 -2.033 15.584 1.00 0.00 H new ATOM 0 HE1 PHE A 690 2.852 1.134 13.773 1.00 0.00 H new ATOM 0 HE2 PHE A 690 3.754 -2.394 15.991 1.00 0.00 H new ATOM 0 HZ PHE A 690 2.099 -0.811 15.082 1.00 0.00 H new ATOM 748 N ASP A 691 5.987 -2.032 12.153 1.00 0.00 N ATOM 749 CA ASP A 691 5.289 -3.288 11.904 1.00 0.00 C ATOM 750 C ASP A 691 6.225 -4.314 11.274 1.00 0.00 C ATOM 751 O ASP A 691 7.045 -3.997 10.411 1.00 0.00 O ATOM 752 CB ASP A 691 4.082 -3.054 10.994 1.00 0.00 C ATOM 753 CG ASP A 691 3.080 -4.189 11.058 1.00 0.00 C ATOM 754 OD1 ASP A 691 2.285 -4.226 12.020 1.00 0.00 O ATOM 755 OD2 ASP A 691 3.090 -5.041 10.144 1.00 0.00 O ATOM 0 H ASP A 691 5.459 -1.198 11.896 1.00 0.00 H new ATOM 0 HA ASP A 691 4.942 -3.678 12.861 1.00 0.00 H new ATOM 0 HB2 ASP A 691 3.591 -2.123 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 691 4.424 -2.933 9.966 1.00 0.00 H new ATOM 760 N PRO A 692 6.103 -5.576 11.714 1.00 0.00 N ATOM 761 CA PRO A 692 6.931 -6.674 11.206 1.00 0.00 C ATOM 762 C PRO A 692 6.589 -7.040 9.766 1.00 0.00 C ATOM 763 O PRO A 692 7.470 -7.383 8.977 1.00 0.00 O ATOM 764 CB PRO A 692 6.595 -7.835 12.147 1.00 0.00 C ATOM 765 CG PRO A 692 5.230 -7.525 12.657 1.00 0.00 C ATOM 766 CD PRO A 692 5.148 -6.026 12.740 1.00 0.00 C ATOM 0 HA PRO A 692 7.989 -6.413 11.189 1.00 0.00 H new ATOM 0 HB2 PRO A 692 6.614 -8.789 11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 692 7.316 -7.906 12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 692 4.465 -7.921 11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 692 5.066 -7.979 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 692 4.139 -5.667 12.536 1.00 0.00 H new ATOM 0 HD3 PRO A 692 5.421 -5.663 13.731 1.00 0.00 H new ATOM 774 N ARG A 693 5.306 -6.964 9.429 1.00 0.00 N ATOM 775 CA ARG A 693 4.848 -7.288 8.084 1.00 0.00 C ATOM 776 C ARG A 693 5.407 -6.297 7.066 1.00 0.00 C ATOM 777 O ARG A 693 5.455 -6.581 5.869 1.00 0.00 O ATOM 778 CB ARG A 693 3.320 -7.286 8.027 1.00 0.00 C ATOM 779 CG ARG A 693 2.675 -8.323 8.932 1.00 0.00 C ATOM 780 CD ARG A 693 1.210 -8.006 9.188 1.00 0.00 C ATOM 781 NE ARG A 693 1.034 -7.115 10.331 1.00 0.00 N ATOM 782 CZ ARG A 693 -0.152 -6.702 10.766 1.00 0.00 C ATOM 783 NH1 ARG A 693 -1.260 -7.100 10.156 1.00 0.00 N ATOM 784 NH2 ARG A 693 -0.230 -5.891 11.813 1.00 0.00 N ATOM 0 H ARG A 693 4.565 -6.681 10.070 1.00 0.00 H new ATOM 0 HA ARG A 693 5.212 -8.285 7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 693 2.956 -6.297 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 693 3.003 -7.465 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 693 2.760 -9.309 8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 693 3.211 -8.363 9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 693 0.778 -7.545 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 693 0.664 -8.933 9.364 1.00 0.00 H new ATOM 0 HE ARG A 693 1.867 -6.792 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 693 -1.203 -7.724 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 693 -2.169 -6.782 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 693 0.621 -5.584 12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 693 -1.141 -5.574 12.146 1.00 0.00 H new ATOM 798 N TYR A 694 5.827 -5.134 7.551 1.00 0.00 N ATOM 799 CA TYR A 694 6.379 -4.100 6.684 1.00 0.00 C ATOM 800 C TYR A 694 7.697 -4.555 6.064 1.00 0.00 C ATOM 801 O TYR A 694 8.126 -4.032 5.035 1.00 0.00 O ATOM 802 CB TYR A 694 6.593 -2.806 7.471 1.00 0.00 C ATOM 803 CG TYR A 694 7.506 -1.819 6.778 1.00 0.00 C ATOM 804 CD1 TYR A 694 8.855 -2.099 6.600 1.00 0.00 C ATOM 805 CD2 TYR A 694 7.020 -0.608 6.303 1.00 0.00 C ATOM 806 CE1 TYR A 694 9.694 -1.201 5.968 1.00 0.00 C ATOM 807 CE2 TYR A 694 7.850 0.296 5.669 1.00 0.00 C ATOM 808 CZ TYR A 694 9.186 -0.005 5.504 1.00 0.00 C ATOM 809 OH TYR A 694 10.017 0.893 4.874 1.00 0.00 O ATOM 0 H TYR A 694 5.796 -4.884 8.539 1.00 0.00 H new ATOM 0 HA TYR A 694 5.665 -3.916 5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 694 5.627 -2.333 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 694 7.010 -3.050 8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 694 9.255 -3.035 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 694 5.975 -0.369 6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 694 10.741 -1.434 5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 694 7.455 1.233 5.305 1.00 0.00 H new ATOM 0 HH TYR A 694 9.503 1.683 4.608 1.00 0.00 H new ATOM 819 N LEU A 695 8.334 -5.533 6.698 1.00 0.00 N ATOM 820 CA LEU A 695 9.604 -6.061 6.210 1.00 0.00 C ATOM 821 C LEU A 695 9.381 -7.281 5.322 1.00 0.00 C ATOM 822 O LEU A 695 10.287 -7.719 4.611 1.00 0.00 O ATOM 823 CB LEU A 695 10.510 -6.431 7.385 1.00 0.00 C ATOM 824 CG LEU A 695 10.825 -5.304 8.371 1.00 0.00 C ATOM 825 CD1 LEU A 695 11.507 -5.856 9.612 1.00 0.00 C ATOM 826 CD2 LEU A 695 11.694 -4.244 7.709 1.00 0.00 C ATOM 0 H LEU A 695 7.993 -5.977 7.551 1.00 0.00 H new ATOM 0 HA LEU A 695 10.088 -5.285 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 695 10.043 -7.248 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 695 11.451 -6.812 6.987 1.00 0.00 H new ATOM 0 HG LEU A 695 9.887 -4.839 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 695 11.723 -5.040 10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 695 10.850 -6.577 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 695 12.438 -6.347 9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 695 11.908 -3.450 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 695 12.629 -4.695 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 695 11.168 -3.826 6.851 1.00 0.00 H new ATOM 838 N LEU A 696 8.169 -7.824 5.365 1.00 0.00 N ATOM 839 CA LEU A 696 7.825 -8.992 4.562 1.00 0.00 C ATOM 840 C LEU A 696 7.814 -8.648 3.076 1.00 0.00 C ATOM 841 O LEU A 696 8.456 -9.319 2.267 1.00 0.00 O ATOM 842 CB LEU A 696 6.460 -9.540 4.981 1.00 0.00 C ATOM 843 CG LEU A 696 6.408 -10.248 6.335 1.00 0.00 C ATOM 844 CD1 LEU A 696 4.967 -10.422 6.791 1.00 0.00 C ATOM 845 CD2 LEU A 696 7.112 -11.594 6.261 1.00 0.00 C ATOM 0 H LEU A 696 7.408 -7.474 5.947 1.00 0.00 H new ATOM 0 HA LEU A 696 8.584 -9.756 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 696 5.749 -8.714 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.120 -10.238 4.215 1.00 0.00 H new ATOM 0 HG LEU A 696 6.927 -9.629 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 696 4.949 -10.928 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 696 4.494 -9.444 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 696 4.423 -11.019 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 696 7.065 -12.083 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 696 6.622 -12.220 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 696 8.155 -11.444 5.980 1.00 0.00 H new ATOM 857 N LEU A 697 7.082 -7.596 2.724 1.00 0.00 N ATOM 858 CA LEU A 697 6.988 -7.160 1.335 1.00 0.00 C ATOM 859 C LEU A 697 8.217 -6.352 0.934 1.00 0.00 C ATOM 860 O LEU A 697 8.798 -5.640 1.752 1.00 0.00 O ATOM 861 CB LEU A 697 5.724 -6.325 1.126 1.00 0.00 C ATOM 862 CG LEU A 697 4.420 -7.108 0.968 1.00 0.00 C ATOM 863 CD1 LEU A 697 3.228 -6.164 0.958 1.00 0.00 C ATOM 864 CD2 LEU A 697 4.451 -7.945 -0.303 1.00 0.00 C ATOM 0 H LEU A 697 6.545 -7.030 3.381 1.00 0.00 H new ATOM 0 HA LEU A 697 6.938 -8.047 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 697 5.617 -5.647 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 697 5.863 -5.708 0.239 1.00 0.00 H new ATOM 0 HG LEU A 697 4.317 -7.781 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 697 2.309 -6.739 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 697 3.195 -5.609 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 697 3.324 -5.466 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 697 3.515 -8.495 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 697 4.578 -7.291 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 697 5.282 -8.648 -0.255 1.00 0.00 H new ATOM 876 N ASN A 698 8.607 -6.465 -0.332 1.00 0.00 N ATOM 877 CA ASN A 698 9.767 -5.743 -0.842 1.00 0.00 C ATOM 878 C ASN A 698 9.672 -4.257 -0.510 1.00 0.00 C ATOM 879 O ASN A 698 8.605 -3.735 -0.183 1.00 0.00 O ATOM 880 CB ASN A 698 9.886 -5.932 -2.356 1.00 0.00 C ATOM 881 CG ASN A 698 10.758 -7.117 -2.724 1.00 0.00 C ATOM 882 OD1 ASN A 698 10.605 -8.208 -2.176 1.00 0.00 O ATOM 883 ND2 ASN A 698 11.679 -6.906 -3.657 1.00 0.00 N ATOM 0 H ASN A 698 8.137 -7.050 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 698 10.657 -6.149 -0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 698 8.892 -6.070 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 698 10.300 -5.027 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 698 12.295 -7.666 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 698 11.770 -5.984 -4.085 1.00 0.00 H new ATOM 890 N PRO A 699 10.813 -3.558 -0.595 1.00 0.00 N ATOM 891 CA PRO A 699 10.885 -2.122 -0.308 1.00 0.00 C ATOM 892 C PRO A 699 10.177 -1.283 -1.367 1.00 0.00 C ATOM 893 O PRO A 699 9.554 -0.268 -1.056 1.00 0.00 O ATOM 894 CB PRO A 699 12.388 -1.834 -0.315 1.00 0.00 C ATOM 895 CG PRO A 699 12.973 -2.893 -1.184 1.00 0.00 C ATOM 896 CD PRO A 699 12.121 -4.114 -0.978 1.00 0.00 C ATOM 0 HA PRO A 699 10.393 -1.869 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 699 12.599 -0.839 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 699 12.803 -1.874 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 699 12.969 -2.586 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 699 14.010 -3.091 -0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 699 12.052 -4.714 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 699 12.526 -4.760 -0.199 1.00 0.00 H new ATOM 904 N LYS A 700 10.277 -1.714 -2.620 1.00 0.00 N ATOM 905 CA LYS A 700 9.646 -1.004 -3.726 1.00 0.00 C ATOM 906 C LYS A 700 8.131 -1.184 -3.694 1.00 0.00 C ATOM 907 O LYS A 700 7.380 -0.237 -3.925 1.00 0.00 O ATOM 908 CB LYS A 700 10.201 -1.502 -5.063 1.00 0.00 C ATOM 909 CG LYS A 700 11.487 -0.812 -5.482 1.00 0.00 C ATOM 910 CD LYS A 700 12.623 -1.117 -4.520 1.00 0.00 C ATOM 911 CE LYS A 700 13.944 -0.551 -5.019 1.00 0.00 C ATOM 912 NZ LYS A 700 15.099 -1.057 -4.228 1.00 0.00 N ATOM 0 H LYS A 700 10.789 -2.552 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 700 9.871 0.057 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 700 10.380 -2.575 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 700 9.449 -1.352 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 700 11.763 -1.134 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 700 11.325 0.265 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 700 12.394 -0.698 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 700 12.713 -2.196 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 700 14.079 -0.815 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 700 13.916 0.537 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 700 15.980 -0.648 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 700 14.984 -0.783 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 700 15.141 -2.094 -4.300 1.00 0.00 H new ATOM 926 N GLU A 701 7.691 -2.405 -3.405 1.00 0.00 N ATOM 927 CA GLU A 701 6.266 -2.707 -3.343 1.00 0.00 C ATOM 928 C GLU A 701 5.569 -1.832 -2.305 1.00 0.00 C ATOM 929 O GLU A 701 4.558 -1.193 -2.595 1.00 0.00 O ATOM 930 CB GLU A 701 6.049 -4.184 -3.008 1.00 0.00 C ATOM 931 CG GLU A 701 6.174 -5.105 -4.210 1.00 0.00 C ATOM 932 CD GLU A 701 5.438 -6.417 -4.019 1.00 0.00 C ATOM 933 OE1 GLU A 701 4.199 -6.431 -4.174 1.00 0.00 O ATOM 934 OE2 GLU A 701 6.102 -7.430 -3.714 1.00 0.00 O ATOM 0 H GLU A 701 8.300 -3.200 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 701 5.833 -2.496 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 701 6.773 -4.487 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 701 5.059 -4.307 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 701 5.783 -4.599 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 701 7.228 -5.308 -4.399 1.00 0.00 H new ATOM 941 N ARG A 702 6.117 -1.809 -1.094 1.00 0.00 N ATOM 942 CA ARG A 702 5.549 -1.015 -0.012 1.00 0.00 C ATOM 943 C ARG A 702 4.938 0.277 -0.549 1.00 0.00 C ATOM 944 O ARG A 702 3.790 0.605 -0.250 1.00 0.00 O ATOM 945 CB ARG A 702 6.621 -0.691 1.029 1.00 0.00 C ATOM 946 CG ARG A 702 6.975 -1.866 1.925 1.00 0.00 C ATOM 947 CD ARG A 702 7.866 -1.438 3.081 1.00 0.00 C ATOM 948 NE ARG A 702 9.245 -1.215 2.656 1.00 0.00 N ATOM 949 CZ ARG A 702 9.681 -0.067 2.149 1.00 0.00 C ATOM 950 NH1 ARG A 702 8.851 0.957 2.006 1.00 0.00 N ATOM 951 NH2 ARG A 702 10.951 0.059 1.786 1.00 0.00 N ATOM 0 H ARG A 702 6.955 -2.332 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 702 4.760 -1.601 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 702 7.521 -0.351 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 702 6.275 0.136 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 702 6.062 -2.315 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 702 7.482 -2.632 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 702 7.471 -0.524 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 702 7.845 -2.203 3.857 1.00 0.00 H new ATOM 0 HE ARG A 702 9.910 -1.982 2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 702 7.874 0.865 2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 702 9.189 1.837 1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 702 11.593 -0.726 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 702 11.285 0.941 1.397 1.00 0.00 H new ATOM 965 N LYS A 703 5.715 1.006 -1.343 1.00 0.00 N ATOM 966 CA LYS A 703 5.252 2.262 -1.923 1.00 0.00 C ATOM 967 C LYS A 703 4.194 2.010 -2.991 1.00 0.00 C ATOM 968 O LYS A 703 3.155 2.670 -3.016 1.00 0.00 O ATOM 969 CB LYS A 703 6.429 3.032 -2.526 1.00 0.00 C ATOM 970 CG LYS A 703 6.083 4.457 -2.923 1.00 0.00 C ATOM 971 CD LYS A 703 6.205 5.409 -1.744 1.00 0.00 C ATOM 972 CE LYS A 703 6.296 6.856 -2.204 1.00 0.00 C ATOM 973 NZ LYS A 703 7.563 7.126 -2.939 1.00 0.00 N ATOM 0 H LYS A 703 6.668 0.749 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 703 4.805 2.859 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 703 7.246 3.053 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 703 6.791 2.497 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 703 6.745 4.783 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 703 5.066 4.490 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 703 5.344 5.288 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 703 7.090 5.155 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 703 5.447 7.087 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 703 6.230 7.517 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 703 7.762 8.147 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 703 8.345 6.615 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 703 7.468 6.805 -3.924 1.00 0.00 H new ATOM 987 N GLN A 704 4.464 1.051 -3.871 1.00 0.00 N ATOM 988 CA GLN A 704 3.533 0.713 -4.941 1.00 0.00 C ATOM 989 C GLN A 704 2.158 0.368 -4.378 1.00 0.00 C ATOM 990 O GLN A 704 1.167 1.032 -4.682 1.00 0.00 O ATOM 991 CB GLN A 704 4.070 -0.461 -5.761 1.00 0.00 C ATOM 992 CG GLN A 704 4.939 -0.037 -6.935 1.00 0.00 C ATOM 993 CD GLN A 704 4.161 0.721 -7.992 1.00 0.00 C ATOM 994 OE1 GLN A 704 4.052 2.033 -7.821 1.00 0.00 O flip ATOM 995 NE2 GLN A 704 3.663 0.134 -8.953 1.00 0.00 N flip ATOM 0 H GLN A 704 5.319 0.495 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 704 3.432 1.584 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 704 4.649 -1.114 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 704 3.230 -1.047 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 704 5.755 0.588 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 704 5.391 -0.921 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 704 3.771 -0.876 -9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 704 3.142 0.658 -9.657 1.00 0.00 H new ATOM 1004 N VAL A 705 2.105 -0.675 -3.556 1.00 0.00 N ATOM 1005 CA VAL A 705 0.852 -1.108 -2.950 1.00 0.00 C ATOM 1006 C VAL A 705 0.170 0.043 -2.218 1.00 0.00 C ATOM 1007 O VAL A 705 -1.037 0.247 -2.349 1.00 0.00 O ATOM 1008 CB VAL A 705 1.078 -2.268 -1.962 1.00 0.00 C ATOM 1009 CG1 VAL A 705 -0.197 -2.565 -1.187 1.00 0.00 C ATOM 1010 CG2 VAL A 705 1.565 -3.507 -2.698 1.00 0.00 C ATOM 0 H VAL A 705 2.916 -1.236 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 705 0.210 -1.451 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 705 1.847 -1.971 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 705 -0.018 -3.387 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 705 -0.498 -1.679 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 705 -0.989 -2.842 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 705 1.720 -4.317 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 705 0.820 -3.809 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 705 2.505 -3.284 -3.203 1.00 0.00 H new ATOM 1020 N PHE A 706 0.950 0.792 -1.447 1.00 0.00 N ATOM 1021 CA PHE A 706 0.421 1.923 -0.693 1.00 0.00 C ATOM 1022 C PHE A 706 -0.291 2.907 -1.617 1.00 0.00 C ATOM 1023 O PHE A 706 -1.441 3.278 -1.378 1.00 0.00 O ATOM 1024 CB PHE A 706 1.548 2.635 0.057 1.00 0.00 C ATOM 1025 CG PHE A 706 1.145 3.968 0.621 1.00 0.00 C ATOM 1026 CD1 PHE A 706 0.407 4.045 1.790 1.00 0.00 C ATOM 1027 CD2 PHE A 706 1.505 5.143 -0.019 1.00 0.00 C ATOM 1028 CE1 PHE A 706 0.034 5.270 2.311 1.00 0.00 C ATOM 1029 CE2 PHE A 706 1.135 6.371 0.496 1.00 0.00 C ATOM 1030 CZ PHE A 706 0.399 6.435 1.664 1.00 0.00 C ATOM 0 H PHE A 706 1.951 0.637 -1.327 1.00 0.00 H new ATOM 0 HA PHE A 706 -0.301 1.541 0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 706 1.894 1.995 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 706 2.391 2.776 -0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 706 0.119 3.138 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 706 2.082 5.099 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 706 -0.542 5.316 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 706 1.421 7.279 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 706 0.110 7.393 2.070 1.00 0.00 H new ATOM 1040 N ASP A 707 0.400 3.326 -2.671 1.00 0.00 N ATOM 1041 CA ASP A 707 -0.166 4.266 -3.631 1.00 0.00 C ATOM 1042 C ASP A 707 -1.533 3.793 -4.115 1.00 0.00 C ATOM 1043 O ASP A 707 -2.489 4.566 -4.155 1.00 0.00 O ATOM 1044 CB ASP A 707 0.778 4.441 -4.822 1.00 0.00 C ATOM 1045 CG ASP A 707 0.520 5.728 -5.581 1.00 0.00 C ATOM 1046 OD1 ASP A 707 0.350 6.778 -4.927 1.00 0.00 O ATOM 1047 OD2 ASP A 707 0.487 5.685 -6.829 1.00 0.00 O ATOM 0 H ASP A 707 1.353 3.030 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 707 -0.291 5.227 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 707 1.809 4.431 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 707 0.665 3.594 -5.499 1.00 0.00 H new ATOM 1052 N GLN A 708 -1.616 2.518 -4.482 1.00 0.00 N ATOM 1053 CA GLN A 708 -2.866 1.943 -4.965 1.00 0.00 C ATOM 1054 C GLN A 708 -3.934 1.969 -3.876 1.00 0.00 C ATOM 1055 O GLN A 708 -5.103 2.243 -4.146 1.00 0.00 O ATOM 1056 CB GLN A 708 -2.641 0.506 -5.441 1.00 0.00 C ATOM 1057 CG GLN A 708 -1.629 0.391 -6.569 1.00 0.00 C ATOM 1058 CD GLN A 708 -1.912 -0.779 -7.490 1.00 0.00 C ATOM 1059 OE1 GLN A 708 -2.878 -1.518 -7.294 1.00 0.00 O ATOM 1060 NE2 GLN A 708 -1.071 -0.954 -8.502 1.00 0.00 N ATOM 0 H GLN A 708 -0.833 1.864 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 708 -3.214 2.546 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 708 -2.304 -0.098 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 708 -3.592 0.089 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 708 -1.631 1.314 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 708 -0.630 0.282 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 708 -0.284 -0.318 -8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 708 -1.212 -1.725 -9.155 1.00 0.00 H new ATOM 1069 N TYR A 709 -3.524 1.682 -2.646 1.00 0.00 N ATOM 1070 CA TYR A 709 -4.446 1.670 -1.516 1.00 0.00 C ATOM 1071 C TYR A 709 -5.025 3.059 -1.271 1.00 0.00 C ATOM 1072 O TYR A 709 -6.238 3.226 -1.143 1.00 0.00 O ATOM 1073 CB TYR A 709 -3.736 1.171 -0.257 1.00 0.00 C ATOM 1074 CG TYR A 709 -4.491 1.464 1.020 1.00 0.00 C ATOM 1075 CD1 TYR A 709 -4.304 2.660 1.702 1.00 0.00 C ATOM 1076 CD2 TYR A 709 -5.392 0.544 1.544 1.00 0.00 C ATOM 1077 CE1 TYR A 709 -4.992 2.931 2.870 1.00 0.00 C ATOM 1078 CE2 TYR A 709 -6.084 0.808 2.709 1.00 0.00 C ATOM 1079 CZ TYR A 709 -5.881 2.002 3.369 1.00 0.00 C ATOM 1080 OH TYR A 709 -6.568 2.268 4.531 1.00 0.00 O ATOM 0 H TYR A 709 -2.559 1.454 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 709 -5.265 0.992 -1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 709 -3.582 0.095 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 709 -2.750 1.631 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 709 -3.610 3.390 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 709 -5.553 -0.393 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 709 -4.834 3.865 3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 709 -6.781 0.083 3.102 1.00 0.00 H new ATOM 0 HH TYR A 709 -6.499 3.223 4.741 1.00 0.00 H new ATOM 1090 N VAL A 710 -4.148 4.056 -1.207 1.00 0.00 N ATOM 1091 CA VAL A 710 -4.570 5.433 -0.979 1.00 0.00 C ATOM 1092 C VAL A 710 -5.588 5.876 -2.024 1.00 0.00 C ATOM 1093 O VAL A 710 -6.581 6.529 -1.702 1.00 0.00 O ATOM 1094 CB VAL A 710 -3.371 6.399 -1.004 1.00 0.00 C ATOM 1095 CG1 VAL A 710 -3.844 7.841 -0.895 1.00 0.00 C ATOM 1096 CG2 VAL A 710 -2.394 6.065 0.113 1.00 0.00 C ATOM 0 H VAL A 710 -3.140 3.936 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 710 -5.031 5.463 0.008 1.00 0.00 H new ATOM 0 HB VAL A 710 -2.853 6.282 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -2.983 8.509 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -4.502 8.073 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -4.387 7.976 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -1.553 6.758 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.898 6.152 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -2.030 5.046 -0.015 1.00 0.00 H new ATOM 1106 N LYS A 711 -5.335 5.516 -3.278 1.00 0.00 N ATOM 1107 CA LYS A 711 -6.229 5.874 -4.372 1.00 0.00 C ATOM 1108 C LYS A 711 -7.620 5.290 -4.151 1.00 0.00 C ATOM 1109 O LYS A 711 -8.628 5.979 -4.313 1.00 0.00 O ATOM 1110 CB LYS A 711 -5.662 5.379 -5.704 1.00 0.00 C ATOM 1111 CG LYS A 711 -6.653 5.452 -6.852 1.00 0.00 C ATOM 1112 CD LYS A 711 -5.948 5.590 -8.191 1.00 0.00 C ATOM 1113 CE LYS A 711 -6.922 5.459 -9.351 1.00 0.00 C ATOM 1114 NZ LYS A 711 -7.818 6.643 -9.460 1.00 0.00 N ATOM 0 H LYS A 711 -4.517 4.976 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 711 -6.311 6.961 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 711 -4.782 5.970 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 711 -5.330 4.347 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 711 -7.272 4.555 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 711 -7.322 6.300 -6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 711 -5.448 6.557 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 711 -5.175 4.827 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 711 -6.366 5.338 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 711 -7.523 4.559 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 711 -8.467 6.515 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 711 -8.368 6.744 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 711 -7.246 7.498 -9.610 1.00 0.00 H new ATOM 1128 N THR A 712 -7.670 4.014 -3.779 1.00 0.00 N ATOM 1129 CA THR A 712 -8.937 3.337 -3.536 1.00 0.00 C ATOM 1130 C THR A 712 -9.656 3.933 -2.331 1.00 0.00 C ATOM 1131 O THR A 712 -10.881 4.053 -2.325 1.00 0.00 O ATOM 1132 CB THR A 712 -8.732 1.828 -3.303 1.00 0.00 C ATOM 1133 OG1 THR A 712 -7.653 1.616 -2.385 1.00 0.00 O ATOM 1134 CG2 THR A 712 -8.439 1.113 -4.613 1.00 0.00 C ATOM 0 H THR A 712 -6.846 3.429 -3.640 1.00 0.00 H new ATOM 0 HA THR A 712 -9.548 3.480 -4.427 1.00 0.00 H new ATOM 0 HB THR A 712 -9.651 1.419 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 712 -7.364 2.476 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 712 -8.298 0.049 -4.423 1.00 0.00 H new ATOM 0 HG22 THR A 712 -9.275 1.252 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 712 -7.533 1.525 -5.058 1.00 0.00 H new ATOM 1142 N ARG A 713 -8.887 4.306 -1.314 1.00 0.00 N ATOM 1143 CA ARG A 713 -9.452 4.890 -0.103 1.00 0.00 C ATOM 1144 C ARG A 713 -10.060 6.259 -0.392 1.00 0.00 C ATOM 1145 O ARG A 713 -11.000 6.685 0.278 1.00 0.00 O ATOM 1146 CB ARG A 713 -8.376 5.015 0.978 1.00 0.00 C ATOM 1147 CG ARG A 713 -8.087 3.711 1.703 1.00 0.00 C ATOM 1148 CD ARG A 713 -8.982 3.540 2.920 1.00 0.00 C ATOM 1149 NE ARG A 713 -8.732 4.564 3.932 1.00 0.00 N ATOM 1150 CZ ARG A 713 -9.624 4.926 4.847 1.00 0.00 C ATOM 1151 NH1 ARG A 713 -10.817 4.349 4.879 1.00 0.00 N ATOM 1152 NH2 ARG A 713 -9.322 5.865 5.734 1.00 0.00 N ATOM 0 H ARG A 713 -7.871 4.214 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 713 -10.242 4.230 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 713 -7.455 5.379 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 713 -8.689 5.764 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 713 -8.235 2.874 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 713 -7.042 3.689 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 713 -10.026 3.583 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 713 -8.819 2.554 3.354 1.00 0.00 H new ATOM 0 HE ARG A 713 -7.823 5.026 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 713 -11.052 3.625 4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 713 -11.500 4.629 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 713 -8.404 6.310 5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 713 -10.008 6.142 6.436 1.00 0.00 H new ATOM 1166 N ALA A 714 -9.515 6.943 -1.393 1.00 0.00 N ATOM 1167 CA ALA A 714 -10.004 8.263 -1.771 1.00 0.00 C ATOM 1168 C ALA A 714 -11.214 8.157 -2.693 1.00 0.00 C ATOM 1169 O ALA A 714 -12.220 8.836 -2.492 1.00 0.00 O ATOM 1170 CB ALA A 714 -8.897 9.065 -2.440 1.00 0.00 C ATOM 0 H ALA A 714 -8.735 6.605 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 714 -10.315 8.781 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 714 -9.277 10.049 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 714 -8.062 9.180 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 714 -8.558 8.542 -3.334 1.00 0.00 H new