USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 726 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 733 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 735 MET CE :methyl -109:sc= -2.23 (180deg=-5.49!) USER MOD Single : A 736 MET CE :methyl -161:sc= -2.85 (180deg=-3.88!) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.045) USER MOD Single : A 746 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 754 HIS : no HE2:sc= -2.86 K(o=-2.9,f=-6.7!) USER MOD Single : A 756 LYS NZ :NH3+ -166:sc= -0.0112 (180deg=-0.197) USER MOD Single : A 758 SER OG : rot 180:sc= 0 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 766 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 767 LYS NZ :NH3+ -156:sc= -0.104 (180deg=-0.56) USER MOD Single : A 774 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.883 -9.154 -3.807 1.00 0.00 N ATOM 225 CA ILE A 725 9.622 -7.758 -3.480 1.00 0.00 C ATOM 226 C ILE A 725 8.477 -7.202 -4.319 1.00 0.00 C ATOM 227 O ILE A 725 7.458 -6.766 -3.785 1.00 0.00 O ATOM 228 CB ILE A 725 10.873 -6.886 -3.696 1.00 0.00 C ATOM 229 CG1 ILE A 725 12.026 -7.383 -2.821 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.561 -5.428 -3.391 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.388 -6.947 -3.311 1.00 0.00 C ATOM 0 HA ILE A 725 9.345 -7.727 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 725 11.175 -6.963 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.882 -7.020 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.996 -8.472 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.455 -4.824 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.767 -5.080 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.237 -5.334 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 725 14.157 -7.335 -2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.553 -7.333 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.438 -5.858 -3.327 1.00 0.00 H new ATOM 243 N MET A 726 8.652 -7.222 -5.636 1.00 0.00 N ATOM 244 CA MET A 726 7.632 -6.721 -6.550 1.00 0.00 C ATOM 245 C MET A 726 6.296 -7.416 -6.305 1.00 0.00 C ATOM 246 O MET A 726 5.304 -6.770 -5.968 1.00 0.00 O ATOM 247 CB MET A 726 8.070 -6.930 -8.001 1.00 0.00 C ATOM 248 CG MET A 726 9.221 -6.032 -8.423 1.00 0.00 C ATOM 249 SD MET A 726 8.707 -4.325 -8.695 1.00 0.00 S ATOM 250 CE MET A 726 9.757 -3.871 -10.073 1.00 0.00 C ATOM 0 H MET A 726 9.490 -7.580 -6.094 1.00 0.00 H new ATOM 0 HA MET A 726 7.506 -5.654 -6.366 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.363 -7.971 -8.137 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.219 -6.750 -8.658 1.00 0.00 H new ATOM 0 HG2 MET A 726 9.996 -6.056 -7.656 1.00 0.00 H new ATOM 0 HG3 MET A 726 9.666 -6.424 -9.338 1.00 0.00 H new ATOM 0 HE1 MET A 726 9.556 -2.838 -10.359 1.00 0.00 H new ATOM 0 HE2 MET A 726 10.803 -3.970 -9.782 1.00 0.00 H new ATOM 0 HE3 MET A 726 9.552 -4.528 -10.918 1.00 0.00 H new ATOM 260 N GLN A 727 6.278 -8.733 -6.478 1.00 0.00 N ATOM 261 CA GLN A 727 5.063 -9.514 -6.276 1.00 0.00 C ATOM 262 C GLN A 727 4.329 -9.063 -5.018 1.00 0.00 C ATOM 263 O GLN A 727 3.181 -8.624 -5.081 1.00 0.00 O ATOM 264 CB GLN A 727 5.398 -11.003 -6.180 1.00 0.00 C ATOM 265 CG GLN A 727 4.194 -11.879 -5.873 1.00 0.00 C ATOM 266 CD GLN A 727 4.533 -13.357 -5.871 1.00 0.00 C ATOM 267 OE1 GLN A 727 5.161 -13.863 -6.801 1.00 0.00 O ATOM 268 NE2 GLN A 727 4.117 -14.058 -4.822 1.00 0.00 N ATOM 0 H GLN A 727 7.091 -9.282 -6.758 1.00 0.00 H new ATOM 0 HA GLN A 727 4.410 -9.351 -7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 727 5.843 -11.328 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.150 -11.148 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 727 3.787 -11.602 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.414 -11.690 -6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 727 3.599 -13.597 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 727 4.315 -15.057 -4.765 1.00 0.00 H new ATOM 277 N ALA A 728 4.999 -9.174 -3.876 1.00 0.00 N ATOM 278 CA ALA A 728 4.411 -8.776 -2.603 1.00 0.00 C ATOM 279 C ALA A 728 3.844 -7.363 -2.678 1.00 0.00 C ATOM 280 O ALA A 728 2.646 -7.152 -2.489 1.00 0.00 O ATOM 281 CB ALA A 728 5.444 -8.874 -1.491 1.00 0.00 C ATOM 0 H ALA A 728 5.950 -9.536 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 728 3.590 -9.457 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.991 -8.574 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.798 -9.902 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.284 -8.217 -1.716 1.00 0.00 H new ATOM 287 N LYS A 729 4.713 -6.396 -2.954 1.00 0.00 N ATOM 288 CA LYS A 729 4.300 -5.001 -3.055 1.00 0.00 C ATOM 289 C LYS A 729 3.024 -4.870 -3.881 1.00 0.00 C ATOM 290 O LYS A 729 2.134 -4.089 -3.545 1.00 0.00 O ATOM 291 CB LYS A 729 5.415 -4.161 -3.682 1.00 0.00 C ATOM 292 CG LYS A 729 6.383 -3.581 -2.666 1.00 0.00 C ATOM 293 CD LYS A 729 7.322 -2.571 -3.305 1.00 0.00 C ATOM 294 CE LYS A 729 8.026 -1.723 -2.256 1.00 0.00 C ATOM 295 NZ LYS A 729 9.047 -2.505 -1.505 1.00 0.00 N ATOM 0 H LYS A 729 5.708 -6.553 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 729 4.100 -4.634 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 729 5.970 -4.778 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 729 4.968 -3.346 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.824 -3.102 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.964 -4.385 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.063 -3.094 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.759 -1.925 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.504 -0.871 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 729 7.290 -1.323 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 9.504 -1.892 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 8.587 -3.304 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.764 -2.866 -2.167 1.00 0.00 H new ATOM 309 N GLU A 730 2.943 -5.639 -4.962 1.00 0.00 N ATOM 310 CA GLU A 730 1.775 -5.608 -5.835 1.00 0.00 C ATOM 311 C GLU A 730 0.505 -5.938 -5.057 1.00 0.00 C ATOM 312 O GLU A 730 -0.428 -5.137 -5.002 1.00 0.00 O ATOM 313 CB GLU A 730 1.949 -6.596 -6.992 1.00 0.00 C ATOM 314 CG GLU A 730 1.220 -6.183 -8.259 1.00 0.00 C ATOM 315 CD GLU A 730 1.408 -7.175 -9.390 1.00 0.00 C ATOM 316 OE1 GLU A 730 0.993 -8.343 -9.229 1.00 0.00 O ATOM 317 OE2 GLU A 730 1.969 -6.786 -10.435 1.00 0.00 O ATOM 0 H GLU A 730 3.671 -6.291 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 730 1.681 -4.600 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.011 -6.702 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 730 1.589 -7.576 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 730 0.156 -6.080 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 730 1.578 -5.204 -8.577 1.00 0.00 H new ATOM 324 N ASP A 731 0.477 -7.123 -4.457 1.00 0.00 N ATOM 325 CA ASP A 731 -0.678 -7.560 -3.681 1.00 0.00 C ATOM 326 C ASP A 731 -1.094 -6.490 -2.676 1.00 0.00 C ATOM 327 O ASP A 731 -2.278 -6.323 -2.385 1.00 0.00 O ATOM 328 CB ASP A 731 -0.364 -8.867 -2.952 1.00 0.00 C ATOM 329 CG ASP A 731 0.066 -9.970 -3.899 1.00 0.00 C ATOM 330 OD1 ASP A 731 -0.466 -10.023 -5.028 1.00 0.00 O ATOM 331 OD2 ASP A 731 0.934 -10.779 -3.512 1.00 0.00 O ATOM 0 H ASP A 731 1.241 -7.798 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.506 -7.727 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.426 -8.691 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.245 -9.191 -2.398 1.00 0.00 H new ATOM 336 N PHE A 732 -0.111 -5.767 -2.149 1.00 0.00 N ATOM 337 CA PHE A 732 -0.375 -4.714 -1.175 1.00 0.00 C ATOM 338 C PHE A 732 -1.001 -3.496 -1.847 1.00 0.00 C ATOM 339 O PHE A 732 -2.152 -3.148 -1.580 1.00 0.00 O ATOM 340 CB PHE A 732 0.920 -4.310 -0.466 1.00 0.00 C ATOM 341 CG PHE A 732 0.696 -3.473 0.761 1.00 0.00 C ATOM 342 CD1 PHE A 732 0.161 -4.033 1.909 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.020 -2.126 0.765 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.047 -3.266 3.040 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.815 -1.354 1.893 1.00 0.00 C ATOM 346 CZ PHE A 732 0.280 -1.924 3.032 1.00 0.00 C ATOM 0 H PHE A 732 0.875 -5.891 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 732 -1.079 -5.102 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.468 -5.210 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.549 -3.757 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.097 -5.082 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.437 -1.674 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.465 -3.715 3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.073 -0.305 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.118 -1.322 3.914 1.00 0.00 H new ATOM 356 N LYS A 733 -0.236 -2.850 -2.720 1.00 0.00 N ATOM 357 CA LYS A 733 -0.714 -1.671 -3.432 1.00 0.00 C ATOM 358 C LYS A 733 -2.119 -1.899 -3.979 1.00 0.00 C ATOM 359 O LYS A 733 -2.981 -1.024 -3.889 1.00 0.00 O ATOM 360 CB LYS A 733 0.240 -1.320 -4.577 1.00 0.00 C ATOM 361 CG LYS A 733 1.445 -0.508 -4.137 1.00 0.00 C ATOM 362 CD LYS A 733 2.045 0.272 -5.295 1.00 0.00 C ATOM 363 CE LYS A 733 1.190 1.476 -5.658 1.00 0.00 C ATOM 364 NZ LYS A 733 1.335 1.846 -7.093 1.00 0.00 N ATOM 0 H LYS A 733 0.719 -3.124 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.748 -0.840 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.585 -2.241 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -0.307 -0.761 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.151 0.182 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.199 -1.173 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 733 3.049 0.604 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 733 2.143 -0.381 -6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 733 0.144 1.257 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 733 1.473 2.324 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 0.737 2.671 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 2.329 2.080 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 1.041 1.046 -7.689 1.00 0.00 H new ATOM 378 N LYS A 734 -2.345 -3.079 -4.545 1.00 0.00 N ATOM 379 CA LYS A 734 -3.647 -3.423 -5.104 1.00 0.00 C ATOM 380 C LYS A 734 -4.656 -3.712 -3.997 1.00 0.00 C ATOM 381 O LYS A 734 -5.821 -3.325 -4.090 1.00 0.00 O ATOM 382 CB LYS A 734 -3.524 -4.639 -6.026 1.00 0.00 C ATOM 383 CG LYS A 734 -3.234 -4.278 -7.473 1.00 0.00 C ATOM 384 CD LYS A 734 -1.755 -4.008 -7.694 1.00 0.00 C ATOM 385 CE LYS A 734 -1.418 -2.542 -7.474 1.00 0.00 C ATOM 386 NZ LYS A 734 -0.175 -2.145 -8.192 1.00 0.00 N ATOM 0 H LYS A 734 -1.643 -3.814 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 734 -4.003 -2.570 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.729 -5.287 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.450 -5.213 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -3.558 -5.090 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -3.811 -3.397 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -1.166 -4.624 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -1.478 -4.298 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -2.248 -1.923 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -1.297 -2.353 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 0.021 -1.139 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 0.622 -2.718 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -0.299 -2.301 -9.213 1.00 0.00 H new ATOM 400 N MET A 735 -4.200 -4.392 -2.950 1.00 0.00 N ATOM 401 CA MET A 735 -5.063 -4.729 -1.824 1.00 0.00 C ATOM 402 C MET A 735 -5.631 -3.469 -1.178 1.00 0.00 C ATOM 403 O MET A 735 -6.825 -3.392 -0.891 1.00 0.00 O ATOM 404 CB MET A 735 -4.288 -5.543 -0.786 1.00 0.00 C ATOM 405 CG MET A 735 -5.016 -5.687 0.541 1.00 0.00 C ATOM 406 SD MET A 735 -4.053 -6.592 1.767 1.00 0.00 S ATOM 407 CE MET A 735 -2.588 -5.568 1.870 1.00 0.00 C ATOM 0 H MET A 735 -3.239 -4.720 -2.858 1.00 0.00 H new ATOM 0 HA MET A 735 -5.892 -5.328 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.087 -6.535 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.322 -5.069 -0.612 1.00 0.00 H new ATOM 0 HG2 MET A 735 -5.253 -4.697 0.930 1.00 0.00 H new ATOM 0 HG3 MET A 735 -5.963 -6.201 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 735 -1.748 -6.088 1.410 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.764 -4.628 1.347 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.360 -5.364 2.916 1.00 0.00 H new ATOM 417 N MET A 736 -4.767 -2.485 -0.952 1.00 0.00 N ATOM 418 CA MET A 736 -5.185 -1.228 -0.340 1.00 0.00 C ATOM 419 C MET A 736 -6.082 -0.436 -1.285 1.00 0.00 C ATOM 420 O MET A 736 -7.085 0.140 -0.865 1.00 0.00 O ATOM 421 CB MET A 736 -3.962 -0.392 0.043 1.00 0.00 C ATOM 422 CG MET A 736 -3.307 -0.832 1.342 1.00 0.00 C ATOM 423 SD MET A 736 -2.232 0.435 2.041 1.00 0.00 S ATOM 424 CE MET A 736 -1.172 0.790 0.642 1.00 0.00 C ATOM 0 H MET A 736 -3.775 -2.533 -1.183 1.00 0.00 H new ATOM 0 HA MET A 736 -5.753 -1.461 0.561 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.228 -0.447 -0.761 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.260 0.653 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.081 -1.087 2.066 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.727 -1.737 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.264 1.283 0.989 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.909 -0.141 0.139 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.696 1.444 -0.055 1.00 0.00 H new ATOM 434 N GLU A 737 -5.714 -0.410 -2.562 1.00 0.00 N ATOM 435 CA GLU A 737 -6.487 0.313 -3.565 1.00 0.00 C ATOM 436 C GLU A 737 -7.954 -0.103 -3.526 1.00 0.00 C ATOM 437 O GLU A 737 -8.850 0.739 -3.571 1.00 0.00 O ATOM 438 CB GLU A 737 -5.912 0.065 -4.961 1.00 0.00 C ATOM 439 CG GLU A 737 -4.815 1.042 -5.350 1.00 0.00 C ATOM 440 CD GLU A 737 -4.675 1.194 -6.852 1.00 0.00 C ATOM 441 OE1 GLU A 737 -4.406 0.180 -7.529 1.00 0.00 O ATOM 442 OE2 GLU A 737 -4.836 2.328 -7.351 1.00 0.00 O ATOM 0 H GLU A 737 -4.886 -0.881 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.423 1.377 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.516 -0.950 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.718 0.126 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -5.027 2.016 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.867 0.703 -4.933 1.00 0.00 H new ATOM 449 N GLU A 738 -8.191 -1.409 -3.443 1.00 0.00 N ATOM 450 CA GLU A 738 -9.549 -1.937 -3.399 1.00 0.00 C ATOM 451 C GLU A 738 -10.226 -1.591 -2.076 1.00 0.00 C ATOM 452 O GLU A 738 -11.383 -1.173 -2.048 1.00 0.00 O ATOM 453 CB GLU A 738 -9.537 -3.454 -3.597 1.00 0.00 C ATOM 454 CG GLU A 738 -9.056 -3.885 -4.972 1.00 0.00 C ATOM 455 CD GLU A 738 -9.552 -5.265 -5.358 1.00 0.00 C ATOM 456 OE1 GLU A 738 -10.778 -5.431 -5.524 1.00 0.00 O ATOM 457 OE2 GLU A 738 -8.712 -6.180 -5.493 1.00 0.00 O ATOM 0 H GLU A 738 -7.460 -2.120 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 738 -10.116 -1.477 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.897 -3.906 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.543 -3.841 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -9.393 -3.161 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -7.966 -3.876 -4.991 1.00 0.00 H new ATOM 464 N ALA A 739 -9.494 -1.768 -0.980 1.00 0.00 N ATOM 465 CA ALA A 739 -10.022 -1.474 0.346 1.00 0.00 C ATOM 466 C ALA A 739 -10.693 -0.105 0.379 1.00 0.00 C ATOM 467 O ALA A 739 -11.684 0.096 1.081 1.00 0.00 O ATOM 468 CB ALA A 739 -8.911 -1.545 1.384 1.00 0.00 C ATOM 0 H ALA A 739 -8.534 -2.113 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.776 -2.224 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.319 -1.323 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.479 -2.546 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.138 -0.817 1.140 1.00 0.00 H new ATOM 474 N LYS A 740 -10.146 0.835 -0.384 1.00 0.00 N ATOM 475 CA LYS A 740 -10.691 2.186 -0.444 1.00 0.00 C ATOM 476 C LYS A 740 -11.102 2.668 0.943 1.00 0.00 C ATOM 477 O LYS A 740 -12.124 3.337 1.101 1.00 0.00 O ATOM 478 CB LYS A 740 -11.894 2.231 -1.389 1.00 0.00 C ATOM 479 CG LYS A 740 -13.064 1.381 -0.925 1.00 0.00 C ATOM 480 CD LYS A 740 -14.267 1.542 -1.839 1.00 0.00 C ATOM 481 CE LYS A 740 -14.172 0.632 -3.053 1.00 0.00 C ATOM 482 NZ LYS A 740 -15.493 0.448 -3.714 1.00 0.00 N ATOM 0 H LYS A 740 -9.325 0.686 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 740 -9.913 2.849 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.225 3.264 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -11.581 1.895 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -12.765 0.333 -0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -13.338 1.662 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -15.178 1.317 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -14.340 2.579 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -13.464 1.053 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -13.780 -0.339 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -15.385 -0.179 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -16.162 0.023 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -15.856 1.371 -4.027 1.00 0.00 H new ATOM 496 N PHE A 741 -10.300 2.326 1.946 1.00 0.00 N ATOM 497 CA PHE A 741 -10.581 2.725 3.320 1.00 0.00 C ATOM 498 C PHE A 741 -10.456 4.237 3.484 1.00 0.00 C ATOM 499 O PHE A 741 -10.187 4.956 2.523 1.00 0.00 O ATOM 500 CB PHE A 741 -9.628 2.016 4.284 1.00 0.00 C ATOM 501 CG PHE A 741 -8.177 2.279 3.996 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.651 3.554 4.132 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.340 1.253 3.590 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.317 3.799 3.866 1.00 0.00 C ATOM 505 CE2 PHE A 741 -6.005 1.492 3.324 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.493 2.767 3.463 1.00 0.00 C ATOM 0 H PHE A 741 -9.450 1.773 1.833 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.606 2.435 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.851 2.334 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.810 0.942 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.290 4.365 4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.735 0.254 3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.919 4.797 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.363 0.683 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.450 2.957 3.257 1.00 0.00 H new ATOM 516 N ASN A 742 -10.654 4.712 4.710 1.00 0.00 N ATOM 517 CA ASN A 742 -10.564 6.138 5.000 1.00 0.00 C ATOM 518 C ASN A 742 -9.179 6.500 5.527 1.00 0.00 C ATOM 519 O ASN A 742 -8.547 5.737 6.258 1.00 0.00 O ATOM 520 CB ASN A 742 -11.632 6.539 6.021 1.00 0.00 C ATOM 521 CG ASN A 742 -13.009 6.025 5.649 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.495 6.263 4.543 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.645 5.317 6.575 1.00 0.00 N ATOM 0 H ASN A 742 -10.878 4.130 5.518 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.734 6.684 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.356 6.153 7.002 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.663 7.625 6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.575 4.945 6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.203 5.145 7.478 1.00 0.00 H new ATOM 530 N PRO A 743 -8.696 7.693 5.150 1.00 0.00 N ATOM 531 CA PRO A 743 -7.381 8.184 5.574 1.00 0.00 C ATOM 532 C PRO A 743 -7.342 8.529 7.059 1.00 0.00 C ATOM 533 O PRO A 743 -6.296 8.897 7.593 1.00 0.00 O ATOM 534 CB PRO A 743 -7.184 9.445 4.728 1.00 0.00 C ATOM 535 CG PRO A 743 -8.564 9.901 4.401 1.00 0.00 C ATOM 536 CD PRO A 743 -9.395 8.654 4.281 1.00 0.00 C ATOM 0 HA PRO A 743 -6.602 7.434 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.635 10.209 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.613 9.230 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -8.953 10.556 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.577 10.470 3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.420 8.821 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.445 8.302 3.251 1.00 0.00 H new ATOM 544 N ARG A 744 -8.489 8.406 7.721 1.00 0.00 N ATOM 545 CA ARG A 744 -8.585 8.704 9.144 1.00 0.00 C ATOM 546 C ARG A 744 -8.018 7.560 9.980 1.00 0.00 C ATOM 547 O ARG A 744 -7.434 7.783 11.040 1.00 0.00 O ATOM 548 CB ARG A 744 -10.041 8.963 9.536 1.00 0.00 C ATOM 549 CG ARG A 744 -10.650 10.175 8.851 1.00 0.00 C ATOM 550 CD ARG A 744 -12.138 10.292 9.144 1.00 0.00 C ATOM 551 NE ARG A 744 -12.905 9.221 8.514 1.00 0.00 N ATOM 552 CZ ARG A 744 -14.210 9.293 8.278 1.00 0.00 C ATOM 553 NH1 ARG A 744 -14.890 10.380 8.618 1.00 0.00 N ATOM 554 NH2 ARG A 744 -14.839 8.277 7.701 1.00 0.00 N ATOM 0 H ARG A 744 -9.364 8.102 7.294 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.997 9.601 9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.636 8.082 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -10.099 9.099 10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -10.140 11.078 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.495 10.102 7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.298 10.267 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -12.503 11.256 8.790 1.00 0.00 H new ATOM 0 HE ARG A 744 -12.412 8.371 8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -14.411 11.163 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -15.892 10.433 8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -14.320 7.439 7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -15.841 8.334 7.520 1.00 0.00 H new ATOM 568 N ALA A 745 -8.195 6.336 9.494 1.00 0.00 N ATOM 569 CA ALA A 745 -7.700 5.158 10.195 1.00 0.00 C ATOM 570 C ALA A 745 -6.190 5.234 10.398 1.00 0.00 C ATOM 571 O ALA A 745 -5.502 6.011 9.736 1.00 0.00 O ATOM 572 CB ALA A 745 -8.068 3.895 9.430 1.00 0.00 C ATOM 0 H ALA A 745 -8.677 6.134 8.618 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.172 5.126 11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.692 3.023 9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.152 3.826 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.624 3.930 8.435 1.00 0.00 H new ATOM 578 N THR A 746 -5.680 4.422 11.319 1.00 0.00 N ATOM 579 CA THR A 746 -4.252 4.399 11.611 1.00 0.00 C ATOM 580 C THR A 746 -3.635 3.059 11.230 1.00 0.00 C ATOM 581 O THR A 746 -4.345 2.080 10.999 1.00 0.00 O ATOM 582 CB THR A 746 -3.979 4.671 13.103 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.569 4.756 13.335 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.576 3.574 13.971 1.00 0.00 C ATOM 0 H THR A 746 -6.235 3.772 11.875 1.00 0.00 H new ATOM 0 HA THR A 746 -3.795 5.189 11.015 1.00 0.00 H new ATOM 0 HB THR A 746 -4.448 5.618 13.369 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.404 4.931 14.285 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.371 3.788 15.020 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.654 3.532 13.814 1.00 0.00 H new ATOM 0 HG23 THR A 746 -4.132 2.615 13.702 1.00 0.00 H new ATOM 592 N PHE A 747 -2.308 3.020 11.166 1.00 0.00 N ATOM 593 CA PHE A 747 -1.594 1.799 10.812 1.00 0.00 C ATOM 594 C PHE A 747 -1.967 0.659 11.755 1.00 0.00 C ATOM 595 O PHE A 747 -2.045 -0.500 11.345 1.00 0.00 O ATOM 596 CB PHE A 747 -0.083 2.036 10.852 1.00 0.00 C ATOM 597 CG PHE A 747 0.722 0.848 10.407 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.329 0.100 9.309 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.871 0.480 11.087 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.067 -0.993 8.896 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.614 -0.612 10.679 1.00 0.00 C ATOM 602 CZ PHE A 747 2.211 -1.350 9.583 1.00 0.00 C ATOM 0 H PHE A 747 -1.705 3.821 11.355 1.00 0.00 H new ATOM 0 HA PHE A 747 -1.883 1.519 9.799 1.00 0.00 H new ATOM 0 HB2 PHE A 747 0.160 2.888 10.217 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.208 2.302 11.868 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.565 0.375 8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 747 2.190 1.052 11.945 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.750 -1.567 8.038 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.509 -0.888 11.217 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.789 -2.204 9.264 1.00 0.00 H new ATOM 612 N SER A 748 -2.195 0.996 13.020 1.00 0.00 N ATOM 613 CA SER A 748 -2.555 0.001 14.023 1.00 0.00 C ATOM 614 C SER A 748 -3.785 -0.790 13.587 1.00 0.00 C ATOM 615 O SER A 748 -3.769 -2.020 13.568 1.00 0.00 O ATOM 616 CB SER A 748 -2.820 0.676 15.370 1.00 0.00 C ATOM 617 OG SER A 748 -2.775 -0.264 16.430 1.00 0.00 O ATOM 0 H SER A 748 -2.137 1.951 13.375 1.00 0.00 H new ATOM 0 HA SER A 748 -1.719 -0.690 14.129 1.00 0.00 H new ATOM 0 HB2 SER A 748 -2.079 1.457 15.541 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.796 1.161 15.351 1.00 0.00 H new ATOM 0 HG SER A 748 -2.946 0.193 17.280 1.00 0.00 H new ATOM 623 N GLU A 749 -4.848 -0.073 13.238 1.00 0.00 N ATOM 624 CA GLU A 749 -6.087 -0.708 12.803 1.00 0.00 C ATOM 625 C GLU A 749 -5.913 -1.359 11.434 1.00 0.00 C ATOM 626 O GLU A 749 -6.167 -2.552 11.265 1.00 0.00 O ATOM 627 CB GLU A 749 -7.221 0.318 12.751 1.00 0.00 C ATOM 628 CG GLU A 749 -7.991 0.441 14.056 1.00 0.00 C ATOM 629 CD GLU A 749 -9.306 1.177 13.890 1.00 0.00 C ATOM 630 OE1 GLU A 749 -10.098 0.783 13.008 1.00 0.00 O ATOM 631 OE2 GLU A 749 -9.544 2.146 14.641 1.00 0.00 O ATOM 0 H GLU A 749 -4.877 0.947 13.248 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.341 -1.483 13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.807 1.292 12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.913 0.042 11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -8.184 -0.555 14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -7.376 0.964 14.788 1.00 0.00 H new ATOM 638 N PHE A 750 -5.479 -0.567 10.459 1.00 0.00 N ATOM 639 CA PHE A 750 -5.272 -1.065 9.104 1.00 0.00 C ATOM 640 C PHE A 750 -4.542 -2.405 9.123 1.00 0.00 C ATOM 641 O PHE A 750 -4.908 -3.333 8.402 1.00 0.00 O ATOM 642 CB PHE A 750 -4.478 -0.050 8.281 1.00 0.00 C ATOM 643 CG PHE A 750 -3.962 -0.602 6.983 1.00 0.00 C ATOM 644 CD1 PHE A 750 -4.796 -0.713 5.882 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.644 -1.012 6.864 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.325 -1.221 4.686 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.167 -1.520 5.671 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.009 -1.626 4.580 1.00 0.00 C ATOM 0 H PHE A 750 -5.264 0.422 10.582 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.249 -1.210 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.112 0.812 8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.637 0.308 8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -5.826 -0.399 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -1.982 -0.934 7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -4.985 -1.301 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.137 -1.834 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 750 -2.639 -2.025 3.647 1.00 0.00 H new ATOM 658 N ALA A 751 -3.507 -2.497 9.952 1.00 0.00 N ATOM 659 CA ALA A 751 -2.726 -3.722 10.066 1.00 0.00 C ATOM 660 C ALA A 751 -3.537 -4.830 10.730 1.00 0.00 C ATOM 661 O ALA A 751 -3.666 -5.927 10.188 1.00 0.00 O ATOM 662 CB ALA A 751 -1.446 -3.461 10.846 1.00 0.00 C ATOM 0 H ALA A 751 -3.190 -1.737 10.554 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.464 -4.052 9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.872 -4.385 10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.852 -2.707 10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.695 -3.104 11.845 1.00 0.00 H new ATOM 668 N ALA A 752 -4.080 -4.535 11.907 1.00 0.00 N ATOM 669 CA ALA A 752 -4.878 -5.506 12.644 1.00 0.00 C ATOM 670 C ALA A 752 -5.981 -6.089 11.767 1.00 0.00 C ATOM 671 O ALA A 752 -6.378 -7.243 11.934 1.00 0.00 O ATOM 672 CB ALA A 752 -5.475 -4.864 13.888 1.00 0.00 C ATOM 0 H ALA A 752 -3.981 -3.631 12.370 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.222 -6.322 12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -6.069 -5.601 14.429 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.673 -4.502 14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -6.112 -4.029 13.596 1.00 0.00 H new ATOM 678 N LYS A 753 -6.474 -5.284 10.831 1.00 0.00 N ATOM 679 CA LYS A 753 -7.532 -5.719 9.927 1.00 0.00 C ATOM 680 C LYS A 753 -6.953 -6.489 8.744 1.00 0.00 C ATOM 681 O LYS A 753 -7.235 -7.674 8.564 1.00 0.00 O ATOM 682 CB LYS A 753 -8.329 -4.513 9.423 1.00 0.00 C ATOM 683 CG LYS A 753 -9.168 -3.847 10.500 1.00 0.00 C ATOM 684 CD LYS A 753 -10.451 -4.616 10.762 1.00 0.00 C ATOM 685 CE LYS A 753 -11.007 -4.317 12.146 1.00 0.00 C ATOM 686 NZ LYS A 753 -12.383 -4.859 12.320 1.00 0.00 N ATOM 0 H LYS A 753 -6.157 -4.326 10.679 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.198 -6.382 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.638 -3.780 9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -8.982 -4.833 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -8.590 -3.777 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -9.409 -2.828 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -11.193 -4.356 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -10.261 -5.685 10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -10.349 -4.746 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -11.018 -3.239 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -12.726 -4.634 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -13.016 -4.431 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -12.369 -5.891 12.191 1.00 0.00 H new ATOM 700 N HIS A 754 -6.141 -5.808 7.941 1.00 0.00 N ATOM 701 CA HIS A 754 -5.521 -6.430 6.776 1.00 0.00 C ATOM 702 C HIS A 754 -4.670 -7.627 7.187 1.00 0.00 C ATOM 703 O HIS A 754 -4.314 -8.463 6.357 1.00 0.00 O ATOM 704 CB HIS A 754 -4.662 -5.412 6.025 1.00 0.00 C ATOM 705 CG HIS A 754 -5.458 -4.442 5.207 1.00 0.00 C ATOM 706 ND1 HIS A 754 -5.437 -4.425 3.829 1.00 0.00 N ATOM 707 CD2 HIS A 754 -6.305 -3.454 5.581 1.00 0.00 C ATOM 708 CE1 HIS A 754 -6.234 -3.468 3.390 1.00 0.00 C ATOM 709 NE2 HIS A 754 -6.773 -2.863 4.433 1.00 0.00 N ATOM 0 H HIS A 754 -5.897 -4.827 8.075 1.00 0.00 H new ATOM 0 HA HIS A 754 -6.315 -6.781 6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -4.058 -4.858 6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -3.971 -5.944 5.371 1.00 0.00 H new ATOM 0 HD1 HIS A 754 -4.891 -5.054 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -6.564 -3.181 6.593 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -6.414 -3.222 2.354 1.00 0.00 H new ATOM 717 N ALA A 755 -4.345 -7.702 8.474 1.00 0.00 N ATOM 718 CA ALA A 755 -3.537 -8.797 8.995 1.00 0.00 C ATOM 719 C ALA A 755 -4.058 -10.145 8.508 1.00 0.00 C ATOM 720 O ALA A 755 -3.343 -10.896 7.845 1.00 0.00 O ATOM 721 CB ALA A 755 -3.512 -8.757 10.516 1.00 0.00 C ATOM 0 H ALA A 755 -4.629 -7.017 9.174 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.520 -8.674 8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.905 -9.581 10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.085 -7.811 10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.528 -8.851 10.899 1.00 0.00 H new ATOM 727 N LYS A 756 -5.308 -10.446 8.842 1.00 0.00 N ATOM 728 CA LYS A 756 -5.927 -11.703 8.438 1.00 0.00 C ATOM 729 C LYS A 756 -5.721 -11.957 6.948 1.00 0.00 C ATOM 730 O LYS A 756 -5.751 -13.101 6.494 1.00 0.00 O ATOM 731 CB LYS A 756 -7.423 -11.686 8.762 1.00 0.00 C ATOM 732 CG LYS A 756 -8.171 -12.900 8.239 1.00 0.00 C ATOM 733 CD LYS A 756 -7.887 -14.135 9.079 1.00 0.00 C ATOM 734 CE LYS A 756 -8.806 -15.287 8.704 1.00 0.00 C ATOM 735 NZ LYS A 756 -10.215 -15.027 9.110 1.00 0.00 N ATOM 0 H LYS A 756 -5.913 -9.836 9.392 1.00 0.00 H new ATOM 0 HA LYS A 756 -5.450 -12.510 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.552 -11.628 9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.868 -10.785 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -9.242 -12.697 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -7.883 -13.088 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.849 -14.438 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -8.014 -13.895 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -8.763 -15.451 7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -8.454 -16.202 9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -10.760 -15.911 9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -10.234 -14.665 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -10.636 -14.323 8.471 1.00 0.00 H new ATOM 749 N ASP A 757 -5.511 -10.884 6.194 1.00 0.00 N ATOM 750 CA ASP A 757 -5.297 -10.991 4.755 1.00 0.00 C ATOM 751 C ASP A 757 -3.930 -11.596 4.452 1.00 0.00 C ATOM 752 O ASP A 757 -2.905 -10.921 4.552 1.00 0.00 O ATOM 753 CB ASP A 757 -5.417 -9.616 4.096 1.00 0.00 C ATOM 754 CG ASP A 757 -5.687 -9.709 2.607 1.00 0.00 C ATOM 755 OD1 ASP A 757 -5.038 -10.539 1.937 1.00 0.00 O ATOM 756 OD2 ASP A 757 -6.549 -8.952 2.113 1.00 0.00 O ATOM 0 H ASP A 757 -5.484 -9.930 6.555 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.064 -11.649 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.221 -9.056 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.497 -9.056 4.261 1.00 0.00 H new ATOM 761 N SER A 758 -3.922 -12.873 4.084 1.00 0.00 N ATOM 762 CA SER A 758 -2.680 -13.571 3.771 1.00 0.00 C ATOM 763 C SER A 758 -1.721 -12.660 3.011 1.00 0.00 C ATOM 764 O SER A 758 -0.604 -12.403 3.460 1.00 0.00 O ATOM 765 CB SER A 758 -2.970 -14.827 2.947 1.00 0.00 C ATOM 766 OG SER A 758 -3.854 -15.696 3.634 1.00 0.00 O ATOM 0 H SER A 758 -4.761 -13.446 3.995 1.00 0.00 H new ATOM 0 HA SER A 758 -2.209 -13.862 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.405 -14.544 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 758 -2.037 -15.348 2.732 1.00 0.00 H new ATOM 0 HG SER A 758 -4.024 -16.490 3.085 1.00 0.00 H new ATOM 772 N ARG A 759 -2.166 -12.175 1.857 1.00 0.00 N ATOM 773 CA ARG A 759 -1.348 -11.293 1.033 1.00 0.00 C ATOM 774 C ARG A 759 -0.598 -10.283 1.896 1.00 0.00 C ATOM 775 O ARG A 759 0.618 -10.131 1.776 1.00 0.00 O ATOM 776 CB ARG A 759 -2.221 -10.559 0.012 1.00 0.00 C ATOM 777 CG ARG A 759 -2.809 -11.469 -1.053 1.00 0.00 C ATOM 778 CD ARG A 759 -3.607 -10.682 -2.080 1.00 0.00 C ATOM 779 NE ARG A 759 -3.612 -11.334 -3.387 1.00 0.00 N ATOM 780 CZ ARG A 759 -4.307 -12.433 -3.657 1.00 0.00 C ATOM 781 NH1 ARG A 759 -5.050 -13.000 -2.716 1.00 0.00 N ATOM 782 NH2 ARG A 759 -4.261 -12.967 -4.871 1.00 0.00 N ATOM 0 H ARG A 759 -3.088 -12.378 1.471 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.618 -11.905 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.033 -10.056 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -1.626 -9.785 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.007 -12.012 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.452 -12.213 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.632 -10.565 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -3.187 -9.681 -2.176 1.00 0.00 H new ATOM 0 HE ARG A 759 -3.051 -10.923 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -5.089 -12.592 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -5.583 -13.844 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -3.691 -12.533 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -4.795 -13.811 -5.077 1.00 0.00 H new ATOM 796 N PHE A 760 -1.330 -9.596 2.766 1.00 0.00 N ATOM 797 CA PHE A 760 -0.734 -8.600 3.648 1.00 0.00 C ATOM 798 C PHE A 760 0.413 -9.203 4.453 1.00 0.00 C ATOM 799 O PHE A 760 1.498 -8.627 4.538 1.00 0.00 O ATOM 800 CB PHE A 760 -1.792 -8.028 4.595 1.00 0.00 C ATOM 801 CG PHE A 760 -1.213 -7.229 5.728 1.00 0.00 C ATOM 802 CD1 PHE A 760 -0.731 -7.860 6.863 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.152 -5.847 5.657 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.198 -7.127 7.907 1.00 0.00 C ATOM 805 CE2 PHE A 760 -0.619 -5.109 6.697 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.143 -5.750 7.824 1.00 0.00 C ATOM 0 H PHE A 760 -2.337 -9.711 2.879 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.336 -7.795 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.474 -7.396 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.383 -8.847 5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -0.772 -8.937 6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -1.525 -5.340 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 760 0.175 -7.631 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -0.575 -4.032 6.628 1.00 0.00 H new ATOM 0 HZ PHE A 760 0.271 -5.175 8.639 1.00 0.00 H new ATOM 816 N LYS A 761 0.165 -10.367 5.044 1.00 0.00 N ATOM 817 CA LYS A 761 1.176 -11.051 5.842 1.00 0.00 C ATOM 818 C LYS A 761 2.522 -11.057 5.126 1.00 0.00 C ATOM 819 O LYS A 761 3.574 -11.003 5.762 1.00 0.00 O ATOM 820 CB LYS A 761 0.736 -12.487 6.137 1.00 0.00 C ATOM 821 CG LYS A 761 -0.576 -12.578 6.896 1.00 0.00 C ATOM 822 CD LYS A 761 -0.925 -14.017 7.237 1.00 0.00 C ATOM 823 CE LYS A 761 -0.074 -14.540 8.383 1.00 0.00 C ATOM 824 NZ LYS A 761 -0.697 -15.722 9.042 1.00 0.00 N ATOM 0 H LYS A 761 -0.728 -10.857 4.985 1.00 0.00 H new ATOM 0 HA LYS A 761 1.288 -10.511 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.640 -13.029 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.515 -12.985 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.508 -11.992 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.375 -12.141 6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -1.979 -14.083 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -0.780 -14.646 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 761 0.913 -14.811 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.071 -13.749 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -0.086 -16.049 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -1.628 -15.457 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -0.812 -16.487 8.347 1.00 0.00 H new ATOM 838 N ALA A 762 2.482 -11.123 3.799 1.00 0.00 N ATOM 839 CA ALA A 762 3.698 -11.132 2.997 1.00 0.00 C ATOM 840 C ALA A 762 4.661 -10.038 3.446 1.00 0.00 C ATOM 841 O ALA A 762 5.853 -10.285 3.633 1.00 0.00 O ATOM 842 CB ALA A 762 3.360 -10.968 1.522 1.00 0.00 C ATOM 0 H ALA A 762 1.619 -11.171 3.257 1.00 0.00 H new ATOM 0 HA ALA A 762 4.190 -12.094 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 762 4.278 -10.977 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.718 -11.789 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.842 -10.021 1.371 1.00 0.00 H new ATOM 848 N ILE A 763 4.136 -8.829 3.617 1.00 0.00 N ATOM 849 CA ILE A 763 4.950 -7.698 4.044 1.00 0.00 C ATOM 850 C ILE A 763 5.253 -7.772 5.537 1.00 0.00 C ATOM 851 O ILE A 763 4.481 -7.285 6.362 1.00 0.00 O ATOM 852 CB ILE A 763 4.255 -6.358 3.739 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.753 -6.336 2.294 1.00 0.00 C ATOM 854 CG2 ILE A 763 5.206 -5.198 3.992 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.864 -6.277 1.269 1.00 0.00 C ATOM 0 H ILE A 763 3.152 -8.608 3.466 1.00 0.00 H new ATOM 0 HA ILE A 763 5.883 -7.750 3.483 1.00 0.00 H new ATOM 0 HB ILE A 763 3.398 -6.251 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 763 3.150 -7.226 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 763 3.098 -5.475 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.700 -4.258 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.519 -5.206 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 763 6.081 -5.298 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.435 -6.264 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.453 -5.373 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.506 -7.151 1.377 1.00 0.00 H new ATOM 867 N GLU A 764 6.384 -8.383 5.875 1.00 0.00 N ATOM 868 CA GLU A 764 6.790 -8.519 7.269 1.00 0.00 C ATOM 869 C GLU A 764 7.488 -7.254 7.759 1.00 0.00 C ATOM 870 O GLU A 764 7.458 -6.935 8.948 1.00 0.00 O ATOM 871 CB GLU A 764 7.719 -9.724 7.438 1.00 0.00 C ATOM 872 CG GLU A 764 9.001 -9.622 6.629 1.00 0.00 C ATOM 873 CD GLU A 764 9.874 -10.854 6.763 1.00 0.00 C ATOM 874 OE1 GLU A 764 10.048 -11.337 7.901 1.00 0.00 O ATOM 875 OE2 GLU A 764 10.385 -11.335 5.730 1.00 0.00 O ATOM 0 H GLU A 764 7.035 -8.791 5.204 1.00 0.00 H new ATOM 0 HA GLU A 764 5.892 -8.674 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 764 7.972 -9.832 8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 764 7.185 -10.628 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.752 -9.470 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.563 -8.746 6.954 1.00 0.00 H new ATOM 882 N LYS A 765 8.116 -6.536 6.835 1.00 0.00 N ATOM 883 CA LYS A 765 8.821 -5.304 7.170 1.00 0.00 C ATOM 884 C LYS A 765 7.849 -4.238 7.664 1.00 0.00 C ATOM 885 O LYS A 765 7.237 -3.526 6.869 1.00 0.00 O ATOM 886 CB LYS A 765 9.589 -4.785 5.952 1.00 0.00 C ATOM 887 CG LYS A 765 10.935 -5.457 5.749 1.00 0.00 C ATOM 888 CD LYS A 765 11.474 -5.216 4.349 1.00 0.00 C ATOM 889 CE LYS A 765 12.502 -6.267 3.958 1.00 0.00 C ATOM 890 NZ LYS A 765 13.841 -5.976 4.540 1.00 0.00 N ATOM 0 H LYS A 765 8.151 -6.786 5.847 1.00 0.00 H new ATOM 0 HA LYS A 765 9.527 -5.525 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 765 8.981 -4.933 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 765 9.741 -3.711 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.646 -5.079 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.837 -6.529 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 765 10.651 -5.227 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.927 -4.226 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 765 12.165 -7.247 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 765 12.580 -6.312 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.513 -6.715 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 14.174 -5.052 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 13.772 -5.958 5.578 1.00 0.00 H new ATOM 904 N MET A 766 7.714 -4.133 8.982 1.00 0.00 N ATOM 905 CA MET A 766 6.818 -3.151 9.582 1.00 0.00 C ATOM 906 C MET A 766 7.041 -1.770 8.975 1.00 0.00 C ATOM 907 O MET A 766 6.088 -1.044 8.692 1.00 0.00 O ATOM 908 CB MET A 766 7.028 -3.096 11.096 1.00 0.00 C ATOM 909 CG MET A 766 5.798 -2.638 11.864 1.00 0.00 C ATOM 910 SD MET A 766 6.207 -1.920 13.467 1.00 0.00 S ATOM 911 CE MET A 766 6.129 -0.172 13.085 1.00 0.00 C ATOM 0 H MET A 766 8.213 -4.715 9.654 1.00 0.00 H new ATOM 0 HA MET A 766 5.792 -3.457 9.376 1.00 0.00 H new ATOM 0 HB2 MET A 766 7.320 -4.085 11.450 1.00 0.00 H new ATOM 0 HB3 MET A 766 7.855 -2.421 11.316 1.00 0.00 H new ATOM 0 HG2 MET A 766 5.256 -1.903 11.269 1.00 0.00 H new ATOM 0 HG3 MET A 766 5.129 -3.486 12.010 1.00 0.00 H new ATOM 0 HE1 MET A 766 6.359 0.407 13.980 1.00 0.00 H new ATOM 0 HE2 MET A 766 6.853 0.063 12.305 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.127 0.080 12.738 1.00 0.00 H new ATOM 921 N LYS A 767 8.305 -1.412 8.779 1.00 0.00 N ATOM 922 CA LYS A 767 8.654 -0.118 8.204 1.00 0.00 C ATOM 923 C LYS A 767 8.060 0.036 6.808 1.00 0.00 C ATOM 924 O LYS A 767 7.471 1.067 6.483 1.00 0.00 O ATOM 925 CB LYS A 767 10.175 0.043 8.144 1.00 0.00 C ATOM 926 CG LYS A 767 10.842 0.032 9.509 1.00 0.00 C ATOM 927 CD LYS A 767 10.865 1.419 10.129 1.00 0.00 C ATOM 928 CE LYS A 767 12.011 2.256 9.582 1.00 0.00 C ATOM 929 NZ LYS A 767 13.338 1.683 9.943 1.00 0.00 N ATOM 0 H LYS A 767 9.106 -2.000 9.010 1.00 0.00 H new ATOM 0 HA LYS A 767 8.237 0.660 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 767 10.593 -0.761 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.413 0.980 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 767 10.311 -0.654 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 767 11.861 -0.342 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 767 9.919 1.923 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 767 10.960 1.333 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 767 11.927 2.322 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 767 11.936 3.272 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 14.056 2.435 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 13.290 1.269 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 13.595 0.945 9.257 1.00 0.00 H new ATOM 943 N ASP A 768 8.218 -0.996 5.986 1.00 0.00 N ATOM 944 CA ASP A 768 7.695 -0.977 4.625 1.00 0.00 C ATOM 945 C ASP A 768 6.200 -0.677 4.622 1.00 0.00 C ATOM 946 O ASP A 768 5.725 0.157 3.850 1.00 0.00 O ATOM 947 CB ASP A 768 7.961 -2.315 3.934 1.00 0.00 C ATOM 948 CG ASP A 768 7.974 -2.194 2.423 1.00 0.00 C ATOM 949 OD1 ASP A 768 8.868 -1.504 1.891 1.00 0.00 O ATOM 950 OD2 ASP A 768 7.089 -2.789 1.773 1.00 0.00 O ATOM 0 H ASP A 768 8.704 -1.856 6.239 1.00 0.00 H new ATOM 0 HA ASP A 768 8.207 -0.186 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 768 8.919 -2.711 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.196 -3.033 4.232 1.00 0.00 H new ATOM 955 N ARG A 769 5.462 -1.363 5.489 1.00 0.00 N ATOM 956 CA ARG A 769 4.020 -1.172 5.584 1.00 0.00 C ATOM 957 C ARG A 769 3.682 0.292 5.852 1.00 0.00 C ATOM 958 O ARG A 769 2.893 0.899 5.128 1.00 0.00 O ATOM 959 CB ARG A 769 3.439 -2.051 6.693 1.00 0.00 C ATOM 960 CG ARG A 769 3.200 -3.490 6.266 1.00 0.00 C ATOM 961 CD ARG A 769 2.879 -4.379 7.458 1.00 0.00 C ATOM 962 NE ARG A 769 4.082 -4.775 8.185 1.00 0.00 N ATOM 963 CZ ARG A 769 4.089 -5.678 9.159 1.00 0.00 C ATOM 964 NH1 ARG A 769 2.962 -6.277 9.520 1.00 0.00 N ATOM 965 NH2 ARG A 769 5.224 -5.986 9.773 1.00 0.00 N ATOM 0 H ARG A 769 5.839 -2.056 6.136 1.00 0.00 H new ATOM 0 HA ARG A 769 3.577 -1.461 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.118 -2.042 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.497 -1.620 7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 769 2.378 -3.527 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.084 -3.871 5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 769 2.205 -3.851 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 769 2.353 -5.270 7.115 1.00 0.00 H new ATOM 0 HE ARG A 769 4.966 -4.334 7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 769 2.087 -6.045 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 769 2.970 -6.970 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 769 6.093 -5.529 9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 769 5.227 -6.680 10.521 1.00 0.00 H new ATOM 979 N GLU A 770 4.284 0.851 6.897 1.00 0.00 N ATOM 980 CA GLU A 770 4.045 2.243 7.261 1.00 0.00 C ATOM 981 C GLU A 770 4.408 3.176 6.109 1.00 0.00 C ATOM 982 O GLU A 770 3.822 4.248 5.956 1.00 0.00 O ATOM 983 CB GLU A 770 4.852 2.614 8.506 1.00 0.00 C ATOM 984 CG GLU A 770 4.213 3.709 9.343 1.00 0.00 C ATOM 985 CD GLU A 770 5.106 4.174 10.476 1.00 0.00 C ATOM 986 OE1 GLU A 770 6.259 4.566 10.202 1.00 0.00 O ATOM 987 OE2 GLU A 770 4.650 4.147 11.639 1.00 0.00 O ATOM 0 H GLU A 770 4.940 0.362 7.506 1.00 0.00 H new ATOM 0 HA GLU A 770 2.983 2.358 7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 770 4.980 1.725 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 770 5.847 2.936 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 770 3.974 4.558 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.272 3.344 9.754 1.00 0.00 H new ATOM 994 N ALA A 771 5.379 2.761 5.302 1.00 0.00 N ATOM 995 CA ALA A 771 5.819 3.557 4.164 1.00 0.00 C ATOM 996 C ALA A 771 4.785 3.534 3.044 1.00 0.00 C ATOM 997 O ALA A 771 4.322 4.582 2.591 1.00 0.00 O ATOM 998 CB ALA A 771 7.162 3.053 3.655 1.00 0.00 C ATOM 0 H ALA A 771 5.876 1.877 5.416 1.00 0.00 H new ATOM 0 HA ALA A 771 5.932 4.589 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.479 3.657 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 771 7.904 3.128 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.066 2.012 3.345 1.00 0.00 H new ATOM 1004 N LEU A 772 4.426 2.334 2.601 1.00 0.00 N ATOM 1005 CA LEU A 772 3.445 2.175 1.533 1.00 0.00 C ATOM 1006 C LEU A 772 2.082 2.708 1.961 1.00 0.00 C ATOM 1007 O LEU A 772 1.323 3.229 1.143 1.00 0.00 O ATOM 1008 CB LEU A 772 3.328 0.702 1.137 1.00 0.00 C ATOM 1009 CG LEU A 772 4.599 0.051 0.590 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.497 -1.465 0.664 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.854 0.500 -0.842 1.00 0.00 C ATOM 0 H LEU A 772 4.799 1.457 2.965 1.00 0.00 H new ATOM 0 HA LEU A 772 3.785 2.751 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.001 0.137 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.544 0.610 0.385 1.00 0.00 H new ATOM 0 HG LEU A 772 5.441 0.369 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.410 -1.911 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.362 -1.770 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.645 -1.802 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.762 0.027 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 772 4.011 0.212 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.972 1.583 -0.868 1.00 0.00 H new ATOM 1023 N PHE A 773 1.778 2.577 3.248 1.00 0.00 N ATOM 1024 CA PHE A 773 0.507 3.046 3.785 1.00 0.00 C ATOM 1025 C PHE A 773 0.513 4.563 3.950 1.00 0.00 C ATOM 1026 O PHE A 773 -0.497 5.227 3.725 1.00 0.00 O ATOM 1027 CB PHE A 773 0.219 2.377 5.130 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.916 3.009 5.884 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -0.696 4.101 6.707 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -2.204 2.511 5.769 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -1.738 4.685 7.402 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -3.251 3.091 6.460 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.017 4.179 7.279 1.00 0.00 C ATOM 0 H PHE A 773 2.395 2.150 3.938 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.278 2.778 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -0.009 1.324 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.118 2.414 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 773 0.302 4.501 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -2.392 1.659 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -1.552 5.536 8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -4.251 2.694 6.360 1.00 0.00 H new ATOM 0 HZ PHE A 773 -3.833 4.633 7.822 1.00 0.00 H new ATOM 1043 N ASN A 774 1.661 5.104 4.347 1.00 0.00 N ATOM 1044 CA ASN A 774 1.800 6.543 4.544 1.00 0.00 C ATOM 1045 C ASN A 774 1.581 7.295 3.234 1.00 0.00 C ATOM 1046 O ASN A 774 0.838 8.274 3.187 1.00 0.00 O ATOM 1047 CB ASN A 774 3.184 6.870 5.108 1.00 0.00 C ATOM 1048 CG ASN A 774 3.243 6.724 6.616 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.227 6.837 7.302 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.437 6.471 7.140 1.00 0.00 N ATOM 0 H ASN A 774 2.508 4.568 4.538 1.00 0.00 H new ATOM 0 HA ASN A 774 1.040 6.862 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.924 6.211 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.453 7.890 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.538 6.362 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.252 6.385 6.533 1.00 0.00 H new ATOM 1057 N GLU A 775 2.234 6.829 2.174 1.00 0.00 N ATOM 1058 CA GLU A 775 2.111 7.458 0.865 1.00 0.00 C ATOM 1059 C GLU A 775 0.712 7.250 0.290 1.00 0.00 C ATOM 1060 O GLU A 775 0.086 8.188 -0.203 1.00 0.00 O ATOM 1061 CB GLU A 775 3.158 6.893 -0.098 1.00 0.00 C ATOM 1062 CG GLU A 775 3.055 5.390 -0.296 1.00 0.00 C ATOM 1063 CD GLU A 775 4.130 4.849 -1.218 1.00 0.00 C ATOM 1064 OE1 GLU A 775 5.325 5.067 -0.928 1.00 0.00 O ATOM 1065 OE2 GLU A 775 3.777 4.207 -2.229 1.00 0.00 O ATOM 0 H GLU A 775 2.853 6.019 2.196 1.00 0.00 H new ATOM 0 HA GLU A 775 2.280 8.528 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 775 3.054 7.386 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 775 4.152 7.134 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 775 3.128 4.894 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 775 2.074 5.147 -0.705 1.00 0.00 H new ATOM 1072 N PHE A 776 0.229 6.014 0.359 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.094 5.681 -0.155 1.00 0.00 C ATOM 1074 C PHE A 776 -2.156 6.602 0.439 1.00 0.00 C ATOM 1075 O PHE A 776 -2.901 7.259 -0.288 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.435 4.222 0.159 1.00 0.00 C ATOM 1077 CG PHE A 776 -2.832 3.835 -0.234 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -3.908 4.159 0.575 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.068 3.147 -1.414 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.195 3.803 0.217 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.352 2.789 -1.778 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.417 3.118 -0.962 1.00 0.00 C ATOM 0 H PHE A 776 0.734 5.227 0.766 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.081 5.819 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -0.728 3.573 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.305 4.049 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -3.740 4.696 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.239 2.888 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.025 4.060 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.523 2.252 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.421 2.840 -1.245 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.219 6.644 1.766 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.188 7.484 2.460 1.00 0.00 C ATOM 1094 C VAL A 777 -2.953 8.959 2.157 1.00 0.00 C ATOM 1095 O VAL A 777 -3.898 9.721 1.956 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.129 7.268 3.983 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.233 5.788 4.318 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.852 7.865 4.556 1.00 0.00 C ATOM 0 H VAL A 777 -1.610 6.106 2.382 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.175 7.195 2.098 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.978 7.778 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.189 5.656 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.178 5.395 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.406 5.251 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.826 7.703 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.988 7.385 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.826 8.935 4.349 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.685 9.356 2.125 1.00 0.00 N ATOM 1109 CA ALA A 778 -1.325 10.740 1.844 1.00 0.00 C ATOM 1110 C ALA A 778 -1.951 11.216 0.537 1.00 0.00 C ATOM 1111 O ALA A 778 -2.337 12.377 0.410 1.00 0.00 O ATOM 1112 CB ALA A 778 0.189 10.892 1.792 1.00 0.00 C ATOM 0 H ALA A 778 -0.890 8.739 2.290 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.714 11.361 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.443 11.931 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.617 10.601 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.592 10.253 1.006 1.00 0.00 H new ATOM 1118 N ALA A 779 -2.047 10.311 -0.431 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.627 10.638 -1.728 1.00 0.00 C ATOM 1120 C ALA A 779 -4.147 10.520 -1.694 1.00 0.00 C ATOM 1121 O ALA A 779 -4.858 11.377 -2.220 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.050 9.736 -2.808 1.00 0.00 C ATOM 0 H ALA A 779 -1.731 9.345 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.373 11.672 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.493 9.992 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.970 9.873 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.274 8.696 -2.571 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.640 9.453 -1.074 1.00 0.00 N ATOM 1129 CA ALA A 780 -6.076 9.224 -0.971 1.00 0.00 C ATOM 1130 C ALA A 780 -6.799 10.478 -0.492 1.00 0.00 C ATOM 1131 O ALA A 780 -7.880 10.807 -0.980 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.359 8.059 -0.034 1.00 0.00 C ATOM 0 H ALA A 780 -4.066 8.733 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.451 8.977 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.435 7.899 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.882 7.158 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.963 8.284 0.956 1.00 0.00 H new ATOM 1138 N ARG A 781 -6.195 11.174 0.466 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.783 12.391 1.012 1.00 0.00 C ATOM 1140 C ARG A 781 -6.590 13.565 0.056 1.00 0.00 C ATOM 1141 O ARG A 781 -5.654 14.351 0.202 1.00 0.00 O ATOM 1142 CB ARG A 781 -6.161 12.719 2.371 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.652 12.899 2.322 1.00 0.00 C ATOM 1144 CD ARG A 781 -4.023 12.703 3.692 1.00 0.00 C ATOM 1145 NE ARG A 781 -4.359 11.404 4.268 1.00 0.00 N ATOM 1146 CZ ARG A 781 -3.856 10.954 5.412 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -2.999 11.696 6.100 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -4.210 9.761 5.871 1.00 0.00 N ATOM 0 H ARG A 781 -5.299 10.916 0.880 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.852 12.221 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -6.615 13.631 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.401 11.921 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -4.222 12.187 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.415 13.896 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -2.940 12.794 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -4.359 13.494 4.362 1.00 0.00 H new ATOM 0 HE ARG A 781 -5.017 10.809 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.725 12.614 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -2.614 11.348 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -4.870 9.187 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -3.823 9.417 6.750 1.00 0.00 H new