USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=6 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 -151:sc= -0.304 (180deg=-1.04) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) 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 160:sc= -4.56! (180deg=-5.29) USER MOD Single : A 736 MET CE :methyl -153:sc= -1.78 (180deg=-4.51!) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.2) USER MOD Single : A 746 THR OG1 : rot 180:sc= 0.00243 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 10.059 -8.662 -3.632 1.00 0.00 N ATOM 225 CA ILE A 725 9.616 -7.326 -3.254 1.00 0.00 C ATOM 226 C ILE A 725 8.470 -6.855 -4.144 1.00 0.00 C ATOM 227 O ILE A 725 7.387 -6.530 -3.658 1.00 0.00 O ATOM 228 CB ILE A 725 10.767 -6.306 -3.337 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.909 -6.717 -2.405 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.267 -4.913 -2.989 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.214 -6.012 -2.702 1.00 0.00 C ATOM 0 HA ILE A 725 9.271 -7.389 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 725 11.145 -6.289 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.619 -6.509 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.061 -7.794 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.092 -4.204 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.484 -4.622 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.866 -4.913 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 725 13.978 -6.352 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.527 -6.240 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.078 -4.936 -2.596 1.00 0.00 H new ATOM 243 N MET A 726 8.716 -6.823 -5.449 1.00 0.00 N ATOM 244 CA MET A 726 7.704 -6.394 -6.407 1.00 0.00 C ATOM 245 C MET A 726 6.413 -7.185 -6.224 1.00 0.00 C ATOM 246 O MET A 726 5.342 -6.608 -6.038 1.00 0.00 O ATOM 247 CB MET A 726 8.220 -6.564 -7.838 1.00 0.00 C ATOM 248 CG MET A 726 9.170 -5.460 -8.275 1.00 0.00 C ATOM 249 SD MET A 726 10.327 -6.004 -9.546 1.00 0.00 S ATOM 250 CE MET A 726 11.274 -7.227 -8.641 1.00 0.00 C ATOM 0 H MET A 726 9.607 -7.089 -5.868 1.00 0.00 H new ATOM 0 HA MET A 726 7.493 -5.340 -6.227 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.729 -7.524 -7.921 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.371 -6.593 -8.521 1.00 0.00 H new ATOM 0 HG2 MET A 726 8.592 -4.616 -8.652 1.00 0.00 H new ATOM 0 HG3 MET A 726 9.728 -5.102 -7.410 1.00 0.00 H new ATOM 0 HE1 MET A 726 12.284 -7.280 -9.048 1.00 0.00 H new ATOM 0 HE2 MET A 726 11.322 -6.945 -7.589 1.00 0.00 H new ATOM 0 HE3 MET A 726 10.794 -8.201 -8.734 1.00 0.00 H new ATOM 260 N GLN A 727 6.522 -8.509 -6.276 1.00 0.00 N ATOM 261 CA GLN A 727 5.362 -9.378 -6.117 1.00 0.00 C ATOM 262 C GLN A 727 4.557 -8.989 -4.881 1.00 0.00 C ATOM 263 O GLN A 727 3.376 -8.654 -4.978 1.00 0.00 O ATOM 264 CB GLN A 727 5.803 -10.839 -6.013 1.00 0.00 C ATOM 265 CG GLN A 727 4.647 -11.814 -5.863 1.00 0.00 C ATOM 266 CD GLN A 727 5.033 -13.236 -6.222 1.00 0.00 C ATOM 267 OE1 GLN A 727 5.708 -13.921 -5.453 1.00 0.00 O ATOM 268 NE2 GLN A 727 4.605 -13.688 -7.395 1.00 0.00 N ATOM 0 H GLN A 727 7.402 -9.003 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 727 4.727 -9.259 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 727 6.375 -11.101 -6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.472 -10.948 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 727 4.286 -11.788 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.822 -11.494 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 727 4.048 -13.086 -8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 727 4.833 -14.637 -7.690 1.00 0.00 H new ATOM 277 N ALA A 728 5.203 -9.036 -3.721 1.00 0.00 N ATOM 278 CA ALA A 728 4.547 -8.687 -2.467 1.00 0.00 C ATOM 279 C ALA A 728 3.964 -7.279 -2.526 1.00 0.00 C ATOM 280 O ALA A 728 2.755 -7.090 -2.385 1.00 0.00 O ATOM 281 CB ALA A 728 5.525 -8.807 -1.308 1.00 0.00 C ATOM 0 H ALA A 728 6.180 -9.312 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 728 3.726 -9.386 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 728 5.021 -8.543 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.890 -9.832 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.365 -8.132 -1.470 1.00 0.00 H new ATOM 287 N LYS A 729 4.830 -6.293 -2.733 1.00 0.00 N ATOM 288 CA LYS A 729 4.402 -4.901 -2.811 1.00 0.00 C ATOM 289 C LYS A 729 3.169 -4.761 -3.698 1.00 0.00 C ATOM 290 O LYS A 729 2.245 -4.014 -3.376 1.00 0.00 O ATOM 291 CB LYS A 729 5.535 -4.027 -3.352 1.00 0.00 C ATOM 292 CG LYS A 729 6.446 -3.473 -2.271 1.00 0.00 C ATOM 293 CD LYS A 729 7.486 -2.528 -2.848 1.00 0.00 C ATOM 294 CE LYS A 729 8.540 -2.161 -1.814 1.00 0.00 C ATOM 295 NZ LYS A 729 9.607 -1.298 -2.393 1.00 0.00 N ATOM 0 H LYS A 729 5.834 -6.432 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 729 4.144 -4.569 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.131 -4.612 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.106 -3.197 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.849 -2.947 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.945 -4.295 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 729 7.966 -2.995 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.997 -1.623 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.066 -1.643 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 729 8.987 -3.070 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 10.306 -1.070 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 10.076 -1.802 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.185 -0.419 -2.754 1.00 0.00 H new ATOM 309 N GLU A 730 3.161 -5.484 -4.813 1.00 0.00 N ATOM 310 CA GLU A 730 2.041 -5.438 -5.745 1.00 0.00 C ATOM 311 C GLU A 730 0.742 -5.844 -5.054 1.00 0.00 C ATOM 312 O GLU A 730 -0.260 -5.132 -5.124 1.00 0.00 O ATOM 313 CB GLU A 730 2.304 -6.357 -6.940 1.00 0.00 C ATOM 314 CG GLU A 730 3.195 -5.735 -8.001 1.00 0.00 C ATOM 315 CD GLU A 730 2.578 -4.501 -8.630 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.804 -4.651 -9.598 1.00 0.00 O ATOM 317 OE2 GLU A 730 2.870 -3.384 -8.153 1.00 0.00 O ATOM 0 H GLU A 730 3.917 -6.108 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 730 1.939 -4.413 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 730 2.765 -7.278 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 730 1.351 -6.632 -7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 730 4.154 -5.470 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 730 3.397 -6.472 -8.778 1.00 0.00 H new ATOM 324 N ASP A 731 0.767 -6.994 -4.388 1.00 0.00 N ATOM 325 CA ASP A 731 -0.407 -7.495 -3.684 1.00 0.00 C ATOM 326 C ASP A 731 -0.877 -6.496 -2.632 1.00 0.00 C ATOM 327 O ASP A 731 -2.062 -6.438 -2.302 1.00 0.00 O ATOM 328 CB ASP A 731 -0.097 -8.840 -3.025 1.00 0.00 C ATOM 329 CG ASP A 731 0.160 -9.936 -4.041 1.00 0.00 C ATOM 330 OD1 ASP A 731 -0.439 -9.884 -5.135 1.00 0.00 O ATOM 331 OD2 ASP A 731 0.961 -10.846 -3.741 1.00 0.00 O ATOM 0 H ASP A 731 1.588 -7.596 -4.321 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.206 -7.631 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.776 -8.733 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -0.931 -9.129 -2.386 1.00 0.00 H new ATOM 336 N PHE A 732 0.059 -5.712 -2.107 1.00 0.00 N ATOM 337 CA PHE A 732 -0.260 -4.716 -1.091 1.00 0.00 C ATOM 338 C PHE A 732 -0.926 -3.494 -1.716 1.00 0.00 C ATOM 339 O PHE A 732 -2.102 -3.222 -1.475 1.00 0.00 O ATOM 340 CB PHE A 732 1.008 -4.294 -0.345 1.00 0.00 C ATOM 341 CG PHE A 732 0.735 -3.633 0.976 1.00 0.00 C ATOM 342 CD1 PHE A 732 0.129 -4.336 2.004 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.085 -2.310 1.189 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.124 -3.732 3.221 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.835 -1.700 2.404 1.00 0.00 C ATOM 346 CZ PHE A 732 0.229 -2.411 3.421 1.00 0.00 C ATOM 0 H PHE A 732 1.044 -5.747 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 732 -0.957 -5.165 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.632 -5.172 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.579 -3.610 -0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.149 -5.369 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.558 -1.749 0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.597 -4.292 4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.113 -0.668 2.558 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.031 -1.936 4.370 1.00 0.00 H new ATOM 356 N LYS A 733 -0.165 -2.759 -2.521 1.00 0.00 N ATOM 357 CA LYS A 733 -0.680 -1.566 -3.182 1.00 0.00 C ATOM 358 C LYS A 733 -2.062 -1.825 -3.773 1.00 0.00 C ATOM 359 O LYS A 733 -2.945 -0.969 -3.710 1.00 0.00 O ATOM 360 CB LYS A 733 0.281 -1.115 -4.285 1.00 0.00 C ATOM 361 CG LYS A 733 1.678 -0.797 -3.781 1.00 0.00 C ATOM 362 CD LYS A 733 2.550 -0.220 -4.883 1.00 0.00 C ATOM 363 CE LYS A 733 3.624 0.699 -4.321 1.00 0.00 C ATOM 364 NZ LYS A 733 4.488 1.264 -5.394 1.00 0.00 N ATOM 0 H LYS A 733 0.811 -2.969 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.765 -0.776 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.346 -1.897 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -0.130 -0.232 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.615 -0.087 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.139 -1.703 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 733 3.019 -1.031 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 733 1.929 0.333 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 733 3.153 1.512 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 733 4.240 0.146 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 5.207 1.885 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 4.957 0.490 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 3.904 1.813 -6.057 1.00 0.00 H new ATOM 378 N LYS A 734 -2.244 -3.010 -4.345 1.00 0.00 N ATOM 379 CA LYS A 734 -3.519 -3.384 -4.944 1.00 0.00 C ATOM 380 C LYS A 734 -4.543 -3.738 -3.870 1.00 0.00 C ATOM 381 O LYS A 734 -5.703 -3.333 -3.947 1.00 0.00 O ATOM 382 CB LYS A 734 -3.332 -4.568 -5.895 1.00 0.00 C ATOM 383 CG LYS A 734 -2.759 -4.179 -7.246 1.00 0.00 C ATOM 384 CD LYS A 734 -3.856 -3.841 -8.242 1.00 0.00 C ATOM 385 CE LYS A 734 -3.374 -2.849 -9.288 1.00 0.00 C ATOM 386 NZ LYS A 734 -4.413 -2.583 -10.321 1.00 0.00 N ATOM 0 H LYS A 734 -1.523 -3.729 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.891 -2.528 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.672 -5.298 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.294 -5.058 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -2.097 -3.321 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -2.153 -4.998 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -4.196 -4.753 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -4.714 -3.425 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -3.098 -1.914 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -2.475 -3.236 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -4.045 -1.902 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -4.658 -3.471 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -5.262 -2.190 -9.866 1.00 0.00 H new ATOM 400 N MET A 735 -4.105 -4.493 -2.868 1.00 0.00 N ATOM 401 CA MET A 735 -4.983 -4.898 -1.777 1.00 0.00 C ATOM 402 C MET A 735 -5.588 -3.681 -1.085 1.00 0.00 C ATOM 403 O MET A 735 -6.777 -3.663 -0.769 1.00 0.00 O ATOM 404 CB MET A 735 -4.213 -5.746 -0.762 1.00 0.00 C ATOM 405 CG MET A 735 -4.985 -6.008 0.521 1.00 0.00 C ATOM 406 SD MET A 735 -3.933 -6.618 1.853 1.00 0.00 S ATOM 407 CE MET A 735 -2.808 -5.239 2.053 1.00 0.00 C ATOM 0 H MET A 735 -3.148 -4.836 -2.789 1.00 0.00 H new ATOM 0 HA MET A 735 -5.793 -5.494 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.953 -6.700 -1.221 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.277 -5.244 -0.517 1.00 0.00 H new ATOM 0 HG2 MET A 735 -5.473 -5.087 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 735 -5.773 -6.735 0.324 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.339 -5.291 3.036 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.039 -5.282 1.282 1.00 0.00 H new ATOM 0 HE3 MET A 735 -3.360 -4.303 1.964 1.00 0.00 H new ATOM 417 N MET A 736 -4.762 -2.666 -0.853 1.00 0.00 N ATOM 418 CA MET A 736 -5.217 -1.445 -0.199 1.00 0.00 C ATOM 419 C MET A 736 -6.135 -0.646 -1.118 1.00 0.00 C ATOM 420 O MET A 736 -7.192 -0.177 -0.699 1.00 0.00 O ATOM 421 CB MET A 736 -4.020 -0.587 0.217 1.00 0.00 C ATOM 422 CG MET A 736 -3.340 -1.068 1.488 1.00 0.00 C ATOM 423 SD MET A 736 -2.098 0.090 2.093 1.00 0.00 S ATOM 424 CE MET A 736 -1.010 0.191 0.673 1.00 0.00 C ATOM 0 H MET A 736 -3.774 -2.665 -1.108 1.00 0.00 H new ATOM 0 HA MET A 736 -5.779 -1.727 0.691 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.291 -0.577 -0.594 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.352 0.441 0.359 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.092 -1.224 2.261 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.870 -2.034 1.301 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.003 0.444 1.004 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.992 -0.770 0.159 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.372 0.960 -0.009 1.00 0.00 H new ATOM 434 N GLU A 737 -5.723 -0.495 -2.373 1.00 0.00 N ATOM 435 CA GLU A 737 -6.509 0.249 -3.350 1.00 0.00 C ATOM 436 C GLU A 737 -7.967 -0.203 -3.333 1.00 0.00 C ATOM 437 O GLU A 737 -8.882 0.619 -3.368 1.00 0.00 O ATOM 438 CB GLU A 737 -5.924 0.068 -4.753 1.00 0.00 C ATOM 439 CG GLU A 737 -4.880 1.110 -5.116 1.00 0.00 C ATOM 440 CD GLU A 737 -4.675 1.234 -6.613 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.670 1.470 -7.330 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.520 1.094 -7.068 1.00 0.00 O ATOM 0 H GLU A 737 -4.850 -0.878 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.470 1.305 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.476 -0.923 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.733 0.107 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -5.182 2.077 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.933 0.850 -4.644 1.00 0.00 H new ATOM 449 N GLU A 738 -8.173 -1.515 -3.279 1.00 0.00 N ATOM 450 CA GLU A 738 -9.519 -2.076 -3.259 1.00 0.00 C ATOM 451 C GLU A 738 -10.182 -1.851 -1.903 1.00 0.00 C ATOM 452 O GLU A 738 -11.369 -1.536 -1.825 1.00 0.00 O ATOM 453 CB GLU A 738 -9.477 -3.572 -3.576 1.00 0.00 C ATOM 454 CG GLU A 738 -8.867 -3.890 -4.931 1.00 0.00 C ATOM 455 CD GLU A 738 -9.810 -3.590 -6.080 1.00 0.00 C ATOM 456 OE1 GLU A 738 -10.619 -4.475 -6.429 1.00 0.00 O ATOM 457 OE2 GLU A 738 -9.739 -2.472 -6.630 1.00 0.00 O ATOM 0 H GLU A 738 -7.426 -2.209 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 738 -10.108 -1.567 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.906 -4.083 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.491 -3.971 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -7.951 -3.313 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.587 -4.943 -4.961 1.00 0.00 H new ATOM 464 N ALA A 739 -9.405 -2.015 -0.837 1.00 0.00 N ATOM 465 CA ALA A 739 -9.915 -1.829 0.516 1.00 0.00 C ATOM 466 C ALA A 739 -10.779 -0.575 0.609 1.00 0.00 C ATOM 467 O ALA A 739 -11.849 -0.590 1.217 1.00 0.00 O ATOM 468 CB ALA A 739 -8.765 -1.755 1.508 1.00 0.00 C ATOM 0 H ALA A 739 -8.420 -2.276 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.539 -2.688 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.161 -1.616 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.190 -2.680 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.118 -0.915 1.253 1.00 0.00 H new ATOM 474 N LYS A 740 -10.307 0.509 0.003 1.00 0.00 N ATOM 475 CA LYS A 740 -11.035 1.772 0.017 1.00 0.00 C ATOM 476 C LYS A 740 -11.299 2.232 1.447 1.00 0.00 C ATOM 477 O LYS A 740 -12.416 2.622 1.788 1.00 0.00 O ATOM 478 CB LYS A 740 -12.359 1.629 -0.737 1.00 0.00 C ATOM 479 CG LYS A 740 -12.188 1.397 -2.228 1.00 0.00 C ATOM 480 CD LYS A 740 -13.434 0.785 -2.844 1.00 0.00 C ATOM 481 CE LYS A 740 -13.114 0.049 -4.136 1.00 0.00 C ATOM 482 NZ LYS A 740 -14.317 -0.614 -4.710 1.00 0.00 N ATOM 0 H LYS A 740 -9.423 0.538 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 740 -10.420 2.523 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.922 0.799 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -12.954 2.530 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -11.965 2.343 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -11.336 0.739 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -13.890 0.095 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -14.165 1.568 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -12.705 0.752 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -12.343 -0.698 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -14.057 -1.104 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -14.693 -1.303 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -15.043 0.102 -4.915 1.00 0.00 H new ATOM 496 N PHE A 741 -10.265 2.185 2.280 1.00 0.00 N ATOM 497 CA PHE A 741 -10.385 2.598 3.673 1.00 0.00 C ATOM 498 C PHE A 741 -10.304 4.116 3.800 1.00 0.00 C ATOM 499 O PHE A 741 -10.047 4.818 2.823 1.00 0.00 O ATOM 500 CB PHE A 741 -9.289 1.945 4.517 1.00 0.00 C ATOM 501 CG PHE A 741 -7.899 2.334 4.099 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.454 3.637 4.254 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.038 1.396 3.552 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.177 3.997 3.869 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.759 1.751 3.166 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.328 3.053 3.326 1.00 0.00 C ATOM 0 H PHE A 741 -9.334 1.865 2.014 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.359 2.272 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.435 2.218 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.389 0.861 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.113 4.379 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.370 0.376 3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.843 5.017 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.098 1.011 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.329 3.333 3.027 1.00 0.00 H new ATOM 516 N ASN A 742 -10.527 4.616 5.011 1.00 0.00 N ATOM 517 CA ASN A 742 -10.481 6.051 5.266 1.00 0.00 C ATOM 518 C ASN A 742 -9.092 6.476 5.732 1.00 0.00 C ATOM 519 O ASN A 742 -8.414 5.764 6.474 1.00 0.00 O ATOM 520 CB ASN A 742 -11.524 6.437 6.317 1.00 0.00 C ATOM 521 CG ASN A 742 -12.941 6.360 5.781 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.176 6.547 4.587 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.893 6.083 6.664 1.00 0.00 N ATOM 0 H ASN A 742 -10.741 4.049 5.831 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.706 6.568 4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.428 5.777 7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.325 7.450 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.865 6.018 6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.652 5.935 7.644 1.00 0.00 H new ATOM 530 N PRO A 743 -8.657 7.665 5.289 1.00 0.00 N ATOM 531 CA PRO A 743 -7.346 8.213 5.649 1.00 0.00 C ATOM 532 C PRO A 743 -7.271 8.622 7.116 1.00 0.00 C ATOM 533 O PRO A 743 -6.191 8.896 7.639 1.00 0.00 O ATOM 534 CB PRO A 743 -7.214 9.440 4.744 1.00 0.00 C ATOM 535 CG PRO A 743 -8.616 9.842 4.442 1.00 0.00 C ATOM 536 CD PRO A 743 -9.413 8.567 4.403 1.00 0.00 C ATOM 0 HA PRO A 743 -6.549 7.482 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.671 10.243 5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.665 9.202 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -9.001 10.519 5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.675 10.368 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.432 8.719 4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.485 8.169 3.391 1.00 0.00 H new ATOM 544 N ARG A 744 -8.425 8.662 7.774 1.00 0.00 N ATOM 545 CA ARG A 744 -8.490 9.038 9.181 1.00 0.00 C ATOM 546 C ARG A 744 -8.228 7.833 10.079 1.00 0.00 C ATOM 547 O ARG A 744 -8.249 7.944 11.305 1.00 0.00 O ATOM 548 CB ARG A 744 -9.857 9.643 9.506 1.00 0.00 C ATOM 549 CG ARG A 744 -10.042 11.054 8.974 1.00 0.00 C ATOM 550 CD ARG A 744 -9.523 12.093 9.956 1.00 0.00 C ATOM 551 NE ARG A 744 -9.583 13.444 9.406 1.00 0.00 N ATOM 552 CZ ARG A 744 -8.779 13.882 8.443 1.00 0.00 C ATOM 553 NH1 ARG A 744 -7.860 13.078 7.926 1.00 0.00 N ATOM 554 NH2 ARG A 744 -8.895 15.126 7.995 1.00 0.00 N ATOM 0 H ARG A 744 -9.328 8.439 7.355 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.717 9.783 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.636 9.003 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -9.993 9.651 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -9.519 11.157 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -11.099 11.234 8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -10.109 12.049 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -8.493 11.856 10.224 1.00 0.00 H new ATOM 0 HE ARG A 744 -10.280 14.087 9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -7.769 12.121 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -7.244 13.416 7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -9.602 15.746 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -8.277 15.462 7.256 1.00 0.00 H new ATOM 568 N ALA A 745 -7.982 6.683 9.460 1.00 0.00 N ATOM 569 CA ALA A 745 -7.714 5.458 10.204 1.00 0.00 C ATOM 570 C ALA A 745 -6.267 5.412 10.683 1.00 0.00 C ATOM 571 O ALA A 745 -5.428 6.193 10.234 1.00 0.00 O ATOM 572 CB ALA A 745 -8.027 4.241 9.346 1.00 0.00 C ATOM 0 H ALA A 745 -7.963 6.574 8.446 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.360 5.446 11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.822 3.333 9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.078 4.260 9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.405 4.257 8.451 1.00 0.00 H new ATOM 578 N THR A 746 -5.981 4.492 11.599 1.00 0.00 N ATOM 579 CA THR A 746 -4.636 4.345 12.141 1.00 0.00 C ATOM 580 C THR A 746 -3.968 3.078 11.619 1.00 0.00 C ATOM 581 O THR A 746 -4.559 1.998 11.641 1.00 0.00 O ATOM 582 CB THR A 746 -4.652 4.306 13.681 1.00 0.00 C ATOM 583 OG1 THR A 746 -3.357 3.949 14.175 1.00 0.00 O ATOM 584 CG2 THR A 746 -5.685 3.310 14.186 1.00 0.00 C ATOM 0 H THR A 746 -6.663 3.837 11.981 1.00 0.00 H new ATOM 0 HA THR A 746 -4.066 5.214 11.813 1.00 0.00 H new ATOM 0 HB THR A 746 -4.919 5.298 14.045 1.00 0.00 H new ATOM 0 HG1 THR A 746 -3.375 3.928 15.155 1.00 0.00 H new ATOM 0 HG21 THR A 746 -5.678 3.300 15.276 1.00 0.00 H new ATOM 0 HG22 THR A 746 -6.674 3.601 13.832 1.00 0.00 H new ATOM 0 HG23 THR A 746 -5.444 2.315 13.812 1.00 0.00 H new ATOM 592 N PHE A 747 -2.733 3.217 11.149 1.00 0.00 N ATOM 593 CA PHE A 747 -1.984 2.083 10.621 1.00 0.00 C ATOM 594 C PHE A 747 -2.243 0.827 11.448 1.00 0.00 C ATOM 595 O PHE A 747 -2.179 -0.291 10.937 1.00 0.00 O ATOM 596 CB PHE A 747 -0.486 2.396 10.604 1.00 0.00 C ATOM 597 CG PHE A 747 0.372 1.204 10.292 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.155 0.459 9.144 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.396 0.828 11.146 1.00 0.00 C ATOM 600 CE1 PHE A 747 0.944 -0.638 8.853 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.188 -0.268 10.861 1.00 0.00 C ATOM 602 CZ PHE A 747 1.961 -1.003 9.714 1.00 0.00 C ATOM 0 H PHE A 747 -2.230 4.104 11.123 1.00 0.00 H new ATOM 0 HA PHE A 747 -2.321 1.901 9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 747 -0.294 3.175 9.866 1.00 0.00 H new ATOM 0 HB3 PHE A 747 -0.196 2.798 11.575 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.640 0.739 8.469 1.00 0.00 H new ATOM 0 HD2 PHE A 747 1.577 1.398 12.045 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.766 -1.209 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 747 2.984 -0.550 11.535 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.577 -1.861 9.491 1.00 0.00 H new ATOM 612 N SER A 748 -2.535 1.020 12.731 1.00 0.00 N ATOM 613 CA SER A 748 -2.799 -0.096 13.631 1.00 0.00 C ATOM 614 C SER A 748 -4.073 -0.830 13.226 1.00 0.00 C ATOM 615 O SER A 748 -4.044 -2.021 12.919 1.00 0.00 O ATOM 616 CB SER A 748 -2.920 0.402 15.073 1.00 0.00 C ATOM 617 OG SER A 748 -1.645 0.684 15.623 1.00 0.00 O ATOM 0 H SER A 748 -2.595 1.939 13.170 1.00 0.00 H new ATOM 0 HA SER A 748 -1.962 -0.791 13.563 1.00 0.00 H new ATOM 0 HB2 SER A 748 -3.538 1.299 15.101 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.423 -0.351 15.680 1.00 0.00 H new ATOM 0 HG SER A 748 -1.749 1.002 16.544 1.00 0.00 H new ATOM 623 N GLU A 749 -5.191 -0.110 13.230 1.00 0.00 N ATOM 624 CA GLU A 749 -6.476 -0.694 12.864 1.00 0.00 C ATOM 625 C GLU A 749 -6.407 -1.339 11.483 1.00 0.00 C ATOM 626 O GLU A 749 -6.904 -2.446 11.277 1.00 0.00 O ATOM 627 CB GLU A 749 -7.571 0.375 12.886 1.00 0.00 C ATOM 628 CG GLU A 749 -8.133 0.642 14.272 1.00 0.00 C ATOM 629 CD GLU A 749 -9.161 -0.390 14.694 1.00 0.00 C ATOM 630 OE1 GLU A 749 -9.899 -0.886 13.817 1.00 0.00 O ATOM 631 OE2 GLU A 749 -9.226 -0.702 15.901 1.00 0.00 O ATOM 0 H GLU A 749 -5.233 0.877 13.482 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.717 -1.466 13.595 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -7.169 1.304 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -8.383 0.065 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -7.317 0.653 14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -8.589 1.632 14.291 1.00 0.00 H new ATOM 638 N PHE A 750 -5.788 -0.637 10.539 1.00 0.00 N ATOM 639 CA PHE A 750 -5.655 -1.140 9.176 1.00 0.00 C ATOM 640 C PHE A 750 -4.886 -2.457 9.155 1.00 0.00 C ATOM 641 O PHE A 750 -5.348 -3.449 8.591 1.00 0.00 O ATOM 642 CB PHE A 750 -4.946 -0.108 8.296 1.00 0.00 C ATOM 643 CG PHE A 750 -4.364 -0.690 7.040 1.00 0.00 C ATOM 644 CD1 PHE A 750 -5.171 -0.961 5.947 1.00 0.00 C ATOM 645 CD2 PHE A 750 -3.009 -0.968 6.953 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.638 -1.497 4.790 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.470 -1.503 5.799 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.286 -1.769 4.716 1.00 0.00 C ATOM 0 H PHE A 750 -5.371 0.281 10.693 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.655 -1.318 8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.653 0.677 8.029 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -4.149 0.363 8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -6.229 -0.751 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.367 -0.764 7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.278 -1.703 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.412 -1.713 5.743 1.00 0.00 H new ATOM 0 HZ PHE A 750 -2.867 -2.189 3.813 1.00 0.00 H new ATOM 658 N ALA A 751 -3.710 -2.459 9.773 1.00 0.00 N ATOM 659 CA ALA A 751 -2.877 -3.654 9.827 1.00 0.00 C ATOM 660 C ALA A 751 -3.668 -4.852 10.342 1.00 0.00 C ATOM 661 O ALA A 751 -3.825 -5.851 9.641 1.00 0.00 O ATOM 662 CB ALA A 751 -1.658 -3.408 10.704 1.00 0.00 C ATOM 0 H ALA A 751 -3.312 -1.646 10.244 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.543 -3.880 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.045 -4.309 10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -1.074 -2.585 10.292 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.981 -3.154 11.713 1.00 0.00 H new ATOM 668 N ALA A 752 -4.162 -4.745 11.571 1.00 0.00 N ATOM 669 CA ALA A 752 -4.938 -5.819 12.178 1.00 0.00 C ATOM 670 C ALA A 752 -6.150 -6.173 11.322 1.00 0.00 C ATOM 671 O ALA A 752 -6.339 -7.329 10.943 1.00 0.00 O ATOM 672 CB ALA A 752 -5.377 -5.425 13.580 1.00 0.00 C ATOM 0 H ALA A 752 -4.039 -3.926 12.166 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.302 -6.702 12.243 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.956 -6.236 14.022 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.498 -5.229 14.195 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.992 -4.526 13.530 1.00 0.00 H new ATOM 678 N LYS A 753 -6.969 -5.171 11.021 1.00 0.00 N ATOM 679 CA LYS A 753 -8.163 -5.375 10.210 1.00 0.00 C ATOM 680 C LYS A 753 -7.829 -6.142 8.934 1.00 0.00 C ATOM 681 O LYS A 753 -8.605 -6.986 8.484 1.00 0.00 O ATOM 682 CB LYS A 753 -8.800 -4.030 9.856 1.00 0.00 C ATOM 683 CG LYS A 753 -9.623 -3.432 10.984 1.00 0.00 C ATOM 684 CD LYS A 753 -10.472 -2.269 10.499 1.00 0.00 C ATOM 685 CE LYS A 753 -11.711 -2.752 9.761 1.00 0.00 C ATOM 686 NZ LYS A 753 -12.333 -1.669 8.951 1.00 0.00 N ATOM 0 H LYS A 753 -6.827 -4.208 11.327 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.871 -5.964 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -8.014 -3.327 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.437 -4.158 8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -10.267 -4.200 11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.959 -3.092 11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.770 -1.655 11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -9.879 -1.634 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.444 -3.584 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -12.437 -3.130 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -13.174 -2.039 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -12.611 -0.885 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -11.649 -1.325 8.247 1.00 0.00 H new ATOM 700 N HIS A 754 -6.669 -5.846 8.357 1.00 0.00 N ATOM 701 CA HIS A 754 -6.231 -6.510 7.134 1.00 0.00 C ATOM 702 C HIS A 754 -5.002 -7.375 7.396 1.00 0.00 C ATOM 703 O HIS A 754 -4.202 -7.622 6.494 1.00 0.00 O ATOM 704 CB HIS A 754 -5.921 -5.476 6.051 1.00 0.00 C ATOM 705 CG HIS A 754 -7.141 -4.944 5.364 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.801 -5.628 4.366 1.00 0.00 N ATOM 707 CD2 HIS A 754 -7.821 -3.786 5.538 1.00 0.00 C ATOM 708 CE1 HIS A 754 -8.834 -4.914 3.954 1.00 0.00 C ATOM 709 NE2 HIS A 754 -8.868 -3.792 4.650 1.00 0.00 N ATOM 0 H HIS A 754 -6.015 -5.151 8.716 1.00 0.00 H new ATOM 0 HA HIS A 754 -7.040 -7.154 6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -5.375 -4.646 6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -5.263 -5.926 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -7.584 -3.004 6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -9.531 -5.199 3.180 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -9.560 -3.050 4.545 1.00 0.00 H new ATOM 717 N ALA A 755 -4.858 -7.831 8.635 1.00 0.00 N ATOM 718 CA ALA A 755 -3.728 -8.669 9.015 1.00 0.00 C ATOM 719 C ALA A 755 -3.961 -10.121 8.612 1.00 0.00 C ATOM 720 O ALA A 755 -3.026 -10.833 8.246 1.00 0.00 O ATOM 721 CB ALA A 755 -3.475 -8.568 10.512 1.00 0.00 C ATOM 0 H ALA A 755 -5.511 -7.634 9.394 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.846 -8.309 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.628 -9.199 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.254 -7.533 10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.361 -8.899 11.054 1.00 0.00 H new ATOM 727 N LYS A 756 -5.215 -10.556 8.684 1.00 0.00 N ATOM 728 CA LYS A 756 -5.573 -11.923 8.326 1.00 0.00 C ATOM 729 C LYS A 756 -5.436 -12.147 6.824 1.00 0.00 C ATOM 730 O LYS A 756 -5.286 -13.280 6.366 1.00 0.00 O ATOM 731 CB LYS A 756 -7.005 -12.230 8.770 1.00 0.00 C ATOM 732 CG LYS A 756 -7.295 -11.832 10.207 1.00 0.00 C ATOM 733 CD LYS A 756 -6.993 -12.967 11.172 1.00 0.00 C ATOM 734 CE LYS A 756 -5.555 -12.911 11.665 1.00 0.00 C ATOM 735 NZ LYS A 756 -5.110 -14.217 12.225 1.00 0.00 N ATOM 0 H LYS A 756 -6.001 -9.981 8.987 1.00 0.00 H new ATOM 0 HA LYS A 756 -4.887 -12.597 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.700 -11.710 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.192 -13.297 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -6.697 -10.960 10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -8.341 -11.542 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -7.673 -12.914 12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -7.173 -13.923 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -4.900 -12.626 10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -5.462 -12.138 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -4.125 -14.138 12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -5.719 -14.477 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -5.174 -14.950 11.490 1.00 0.00 H new ATOM 749 N ASP A 757 -5.488 -11.060 6.062 1.00 0.00 N ATOM 750 CA ASP A 757 -5.367 -11.137 4.610 1.00 0.00 C ATOM 751 C ASP A 757 -4.015 -11.717 4.208 1.00 0.00 C ATOM 752 O ASP A 757 -2.987 -11.047 4.304 1.00 0.00 O ATOM 753 CB ASP A 757 -5.547 -9.752 3.988 1.00 0.00 C ATOM 754 CG ASP A 757 -5.810 -9.817 2.496 1.00 0.00 C ATOM 755 OD1 ASP A 757 -4.882 -10.183 1.745 1.00 0.00 O ATOM 756 OD2 ASP A 757 -6.944 -9.503 2.080 1.00 0.00 O ATOM 0 H ASP A 757 -5.613 -10.115 6.425 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.151 -11.798 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.376 -9.242 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.653 -9.156 4.171 1.00 0.00 H new ATOM 761 N SER A 758 -4.024 -12.968 3.758 1.00 0.00 N ATOM 762 CA SER A 758 -2.797 -13.640 3.345 1.00 0.00 C ATOM 763 C SER A 758 -1.831 -12.656 2.693 1.00 0.00 C ATOM 764 O SER A 758 -0.709 -12.468 3.163 1.00 0.00 O ATOM 765 CB SER A 758 -3.117 -14.779 2.374 1.00 0.00 C ATOM 766 OG SER A 758 -1.947 -15.228 1.713 1.00 0.00 O ATOM 0 H SER A 758 -4.866 -13.536 3.670 1.00 0.00 H new ATOM 0 HA SER A 758 -2.321 -14.053 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.572 -15.607 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 758 -3.847 -14.440 1.639 1.00 0.00 H new ATOM 0 HG SER A 758 -2.177 -15.957 1.099 1.00 0.00 H new ATOM 772 N ARG A 759 -2.276 -12.031 1.608 1.00 0.00 N ATOM 773 CA ARG A 759 -1.451 -11.067 0.889 1.00 0.00 C ATOM 774 C ARG A 759 -0.781 -10.097 1.858 1.00 0.00 C ATOM 775 O ARG A 759 0.438 -9.922 1.834 1.00 0.00 O ATOM 776 CB ARG A 759 -2.298 -10.292 -0.122 1.00 0.00 C ATOM 777 CG ARG A 759 -2.911 -11.169 -1.202 1.00 0.00 C ATOM 778 CD ARG A 759 -3.615 -10.337 -2.262 1.00 0.00 C ATOM 779 NE ARG A 759 -4.214 -11.169 -3.303 1.00 0.00 N ATOM 780 CZ ARG A 759 -4.600 -10.702 -4.484 1.00 0.00 C ATOM 781 NH1 ARG A 759 -4.452 -9.417 -4.774 1.00 0.00 N ATOM 782 NH2 ARG A 759 -5.136 -11.521 -5.380 1.00 0.00 N ATOM 0 H ARG A 759 -3.203 -12.175 1.207 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.675 -11.616 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.096 -9.772 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -1.678 -9.529 -0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.132 -11.771 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.621 -11.861 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.390 -9.731 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -2.902 -9.648 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 759 -4.343 -12.163 -3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -4.040 -8.784 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -4.750 -9.062 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -5.252 -12.511 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -5.432 -11.161 -6.287 1.00 0.00 H new ATOM 796 N PHE A 760 -1.586 -9.467 2.707 1.00 0.00 N ATOM 797 CA PHE A 760 -1.071 -8.513 3.683 1.00 0.00 C ATOM 798 C PHE A 760 0.065 -9.125 4.496 1.00 0.00 C ATOM 799 O PHE A 760 1.074 -8.473 4.765 1.00 0.00 O ATOM 800 CB PHE A 760 -2.192 -8.052 4.617 1.00 0.00 C ATOM 801 CG PHE A 760 -1.695 -7.363 5.855 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.127 -8.090 6.889 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.795 -5.987 5.986 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.668 -7.459 8.030 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.337 -5.350 7.124 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.774 -6.087 8.148 1.00 0.00 C ATOM 0 H PHE A 760 -2.597 -9.600 2.739 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.682 -7.651 3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.851 -7.375 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.791 -8.915 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.042 -9.163 6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.236 -5.406 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.227 -8.038 8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.419 -4.277 7.213 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.418 -5.591 9.039 1.00 0.00 H new ATOM 816 N LYS A 761 -0.106 -10.384 4.885 1.00 0.00 N ATOM 817 CA LYS A 761 0.904 -11.088 5.667 1.00 0.00 C ATOM 818 C LYS A 761 2.224 -11.166 4.907 1.00 0.00 C ATOM 819 O LYS A 761 3.298 -11.076 5.500 1.00 0.00 O ATOM 820 CB LYS A 761 0.419 -12.497 6.015 1.00 0.00 C ATOM 821 CG LYS A 761 -0.958 -12.526 6.656 1.00 0.00 C ATOM 822 CD LYS A 761 -1.106 -13.702 7.607 1.00 0.00 C ATOM 823 CE LYS A 761 -2.552 -14.160 7.706 1.00 0.00 C ATOM 824 NZ LYS A 761 -2.679 -15.437 8.462 1.00 0.00 N ATOM 0 H LYS A 761 -0.935 -10.938 4.671 1.00 0.00 H new ATOM 0 HA LYS A 761 1.068 -10.529 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.401 -13.100 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.136 -12.962 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -1.128 -11.595 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.721 -12.587 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -0.484 -14.529 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -0.744 -13.420 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -3.145 -13.388 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -2.962 -14.289 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -3.680 -15.716 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -2.134 -16.181 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -2.312 -15.308 9.426 1.00 0.00 H new ATOM 838 N ALA A 762 2.135 -11.331 3.592 1.00 0.00 N ATOM 839 CA ALA A 762 3.322 -11.418 2.751 1.00 0.00 C ATOM 840 C ALA A 762 4.343 -10.350 3.131 1.00 0.00 C ATOM 841 O ALA A 762 5.548 -10.548 2.977 1.00 0.00 O ATOM 842 CB ALA A 762 2.941 -11.288 1.284 1.00 0.00 C ATOM 0 H ALA A 762 1.253 -11.407 3.086 1.00 0.00 H new ATOM 0 HA ALA A 762 3.779 -12.395 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.838 -11.355 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.255 -12.090 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.457 -10.325 1.118 1.00 0.00 H new ATOM 848 N ILE A 763 3.852 -9.219 3.626 1.00 0.00 N ATOM 849 CA ILE A 763 4.722 -8.121 4.028 1.00 0.00 C ATOM 850 C ILE A 763 5.164 -8.272 5.480 1.00 0.00 C ATOM 851 O ILE A 763 4.361 -8.606 6.351 1.00 0.00 O ATOM 852 CB ILE A 763 4.026 -6.758 3.854 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.382 -6.663 2.470 1.00 0.00 C ATOM 854 CG2 ILE A 763 5.020 -5.625 4.062 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.382 -6.480 1.350 1.00 0.00 C ATOM 0 H ILE A 763 2.857 -9.039 3.758 1.00 0.00 H new ATOM 0 HA ILE A 763 5.597 -8.158 3.379 1.00 0.00 H new ATOM 0 HB ILE A 763 3.241 -6.668 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.803 -7.568 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.681 -5.828 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.513 -4.668 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.435 -5.686 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.825 -5.708 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 763 3.855 -6.421 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 763 4.945 -5.561 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.068 -7.327 1.333 1.00 0.00 H new ATOM 867 N GLU A 764 6.445 -8.023 5.732 1.00 0.00 N ATOM 868 CA GLU A 764 6.992 -8.130 7.079 1.00 0.00 C ATOM 869 C GLU A 764 7.659 -6.824 7.502 1.00 0.00 C ATOM 870 O GLU A 764 7.269 -6.206 8.493 1.00 0.00 O ATOM 871 CB GLU A 764 8.002 -9.278 7.153 1.00 0.00 C ATOM 872 CG GLU A 764 7.547 -10.536 6.432 1.00 0.00 C ATOM 873 CD GLU A 764 6.738 -11.459 7.322 1.00 0.00 C ATOM 874 OE1 GLU A 764 7.324 -12.042 8.258 1.00 0.00 O ATOM 875 OE2 GLU A 764 5.521 -11.599 7.082 1.00 0.00 O ATOM 0 H GLU A 764 7.123 -7.746 5.022 1.00 0.00 H new ATOM 0 HA GLU A 764 6.168 -8.335 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 764 8.948 -8.946 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.191 -9.517 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 764 6.948 -10.257 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 764 8.420 -11.071 6.058 1.00 0.00 H new ATOM 882 N LYS A 765 8.668 -6.410 6.743 1.00 0.00 N ATOM 883 CA LYS A 765 9.390 -5.177 7.036 1.00 0.00 C ATOM 884 C LYS A 765 8.434 -4.084 7.504 1.00 0.00 C ATOM 885 O LYS A 765 7.579 -3.629 6.745 1.00 0.00 O ATOM 886 CB LYS A 765 10.156 -4.704 5.798 1.00 0.00 C ATOM 887 CG LYS A 765 11.154 -5.722 5.275 1.00 0.00 C ATOM 888 CD LYS A 765 12.451 -5.690 6.067 1.00 0.00 C ATOM 889 CE LYS A 765 13.352 -6.862 5.708 1.00 0.00 C ATOM 890 NZ LYS A 765 13.929 -6.720 4.342 1.00 0.00 N ATOM 0 H LYS A 765 9.004 -6.910 5.920 1.00 0.00 H new ATOM 0 HA LYS A 765 10.099 -5.382 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 765 9.443 -4.468 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.683 -3.781 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 765 10.719 -6.720 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 765 11.363 -5.521 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 765 12.975 -4.754 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 765 12.228 -5.714 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 765 14.159 -6.936 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 765 12.782 -7.789 5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.537 -7.538 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 13.160 -6.674 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 14.494 -5.848 4.293 1.00 0.00 H new ATOM 904 N MET A 766 8.586 -3.668 8.756 1.00 0.00 N ATOM 905 CA MET A 766 7.738 -2.626 9.323 1.00 0.00 C ATOM 906 C MET A 766 7.789 -1.361 8.473 1.00 0.00 C ATOM 907 O MET A 766 6.753 -0.816 8.089 1.00 0.00 O ATOM 908 CB MET A 766 8.171 -2.310 10.756 1.00 0.00 C ATOM 909 CG MET A 766 7.108 -1.585 11.566 1.00 0.00 C ATOM 910 SD MET A 766 7.786 -0.754 13.015 1.00 0.00 S ATOM 911 CE MET A 766 6.283 -0.247 13.849 1.00 0.00 C ATOM 0 H MET A 766 9.288 -4.036 9.398 1.00 0.00 H new ATOM 0 HA MET A 766 6.712 -2.993 9.334 1.00 0.00 H new ATOM 0 HB2 MET A 766 8.430 -3.240 11.262 1.00 0.00 H new ATOM 0 HB3 MET A 766 9.074 -1.700 10.728 1.00 0.00 H new ATOM 0 HG2 MET A 766 6.610 -0.852 10.931 1.00 0.00 H new ATOM 0 HG3 MET A 766 6.349 -2.299 11.884 1.00 0.00 H new ATOM 0 HE1 MET A 766 6.537 0.282 14.767 1.00 0.00 H new ATOM 0 HE2 MET A 766 5.710 0.412 13.197 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.686 -1.127 14.091 1.00 0.00 H new ATOM 921 N LYS A 767 8.999 -0.897 8.182 1.00 0.00 N ATOM 922 CA LYS A 767 9.186 0.304 7.376 1.00 0.00 C ATOM 923 C LYS A 767 8.340 0.245 6.109 1.00 0.00 C ATOM 924 O LYS A 767 7.823 1.264 5.649 1.00 0.00 O ATOM 925 CB LYS A 767 10.662 0.472 7.009 1.00 0.00 C ATOM 926 CG LYS A 767 11.528 0.935 8.168 1.00 0.00 C ATOM 927 CD LYS A 767 11.990 -0.234 9.021 1.00 0.00 C ATOM 928 CE LYS A 767 13.157 0.156 9.916 1.00 0.00 C ATOM 929 NZ LYS A 767 12.714 0.961 11.087 1.00 0.00 N ATOM 0 H LYS A 767 9.866 -1.335 8.493 1.00 0.00 H new ATOM 0 HA LYS A 767 8.865 1.162 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 767 11.046 -0.478 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.746 1.191 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 767 12.396 1.471 7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 767 10.967 1.637 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 767 11.162 -0.588 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 767 12.285 -1.062 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 767 13.663 -0.744 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 767 13.883 0.726 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 13.538 1.206 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 12.253 1.832 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 12.040 0.408 11.654 1.00 0.00 H new ATOM 943 N ASP A 768 8.202 -0.952 5.549 1.00 0.00 N ATOM 944 CA ASP A 768 7.415 -1.143 4.336 1.00 0.00 C ATOM 945 C ASP A 768 5.930 -0.934 4.613 1.00 0.00 C ATOM 946 O ASP A 768 5.262 -0.162 3.924 1.00 0.00 O ATOM 947 CB ASP A 768 7.649 -2.543 3.767 1.00 0.00 C ATOM 948 CG ASP A 768 8.939 -2.638 2.975 1.00 0.00 C ATOM 949 OD1 ASP A 768 9.940 -2.022 3.396 1.00 0.00 O ATOM 950 OD2 ASP A 768 8.947 -3.328 1.934 1.00 0.00 O ATOM 0 H ASP A 768 8.625 -1.805 5.916 1.00 0.00 H new ATOM 0 HA ASP A 768 7.736 -0.403 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.673 -3.265 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 768 6.811 -2.816 3.125 1.00 0.00 H new ATOM 955 N ARG A 769 5.418 -1.628 5.624 1.00 0.00 N ATOM 956 CA ARG A 769 4.011 -1.520 5.991 1.00 0.00 C ATOM 957 C ARG A 769 3.610 -0.061 6.183 1.00 0.00 C ATOM 958 O ARG A 769 2.620 0.400 5.615 1.00 0.00 O ATOM 959 CB ARG A 769 3.734 -2.310 7.271 1.00 0.00 C ATOM 960 CG ARG A 769 4.057 -3.791 7.156 1.00 0.00 C ATOM 961 CD ARG A 769 4.299 -4.416 8.521 1.00 0.00 C ATOM 962 NE ARG A 769 3.054 -4.842 9.155 1.00 0.00 N ATOM 963 CZ ARG A 769 2.931 -5.061 10.460 1.00 0.00 C ATOM 964 NH1 ARG A 769 3.972 -4.893 11.264 1.00 0.00 N ATOM 965 NH2 ARG A 769 1.766 -5.448 10.962 1.00 0.00 N ATOM 0 H ARG A 769 5.957 -2.271 6.204 1.00 0.00 H new ATOM 0 HA ARG A 769 3.416 -1.938 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.318 -1.882 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.683 -2.196 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 769 3.235 -4.306 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.940 -3.924 6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 769 4.964 -5.273 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 769 4.806 -3.697 9.164 1.00 0.00 H new ATOM 0 HE ARG A 769 2.234 -4.979 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 769 4.869 -4.595 10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 769 3.875 -5.062 12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 769 0.963 -5.578 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 769 1.673 -5.616 11.964 1.00 0.00 H new ATOM 979 N GLU A 770 4.385 0.660 6.987 1.00 0.00 N ATOM 980 CA GLU A 770 4.108 2.066 7.255 1.00 0.00 C ATOM 981 C GLU A 770 4.389 2.920 6.022 1.00 0.00 C ATOM 982 O GLU A 770 3.519 3.650 5.548 1.00 0.00 O ATOM 983 CB GLU A 770 4.950 2.560 8.433 1.00 0.00 C ATOM 984 CG GLU A 770 4.295 3.680 9.223 1.00 0.00 C ATOM 985 CD GLU A 770 4.716 3.690 10.679 1.00 0.00 C ATOM 986 OE1 GLU A 770 4.390 2.722 11.398 1.00 0.00 O ATOM 987 OE2 GLU A 770 5.372 4.666 11.101 1.00 0.00 O ATOM 0 H GLU A 770 5.209 0.294 7.464 1.00 0.00 H new ATOM 0 HA GLU A 770 3.052 2.160 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.149 1.723 9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 770 5.914 2.906 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.550 4.637 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.212 3.577 9.163 1.00 0.00 H new ATOM 994 N ALA A 771 5.611 2.823 5.508 1.00 0.00 N ATOM 995 CA ALA A 771 6.007 3.585 4.330 1.00 0.00 C ATOM 996 C ALA A 771 4.932 3.524 3.250 1.00 0.00 C ATOM 997 O ALA A 771 4.489 4.554 2.741 1.00 0.00 O ATOM 998 CB ALA A 771 7.331 3.069 3.788 1.00 0.00 C ATOM 0 H ALA A 771 6.344 2.224 5.889 1.00 0.00 H new ATOM 0 HA ALA A 771 6.129 4.627 4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.614 3.647 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.101 3.170 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.228 2.019 3.514 1.00 0.00 H new ATOM 1004 N LEU A 772 4.516 2.311 2.904 1.00 0.00 N ATOM 1005 CA LEU A 772 3.492 2.115 1.883 1.00 0.00 C ATOM 1006 C LEU A 772 2.193 2.812 2.273 1.00 0.00 C ATOM 1007 O LEU A 772 1.697 3.674 1.548 1.00 0.00 O ATOM 1008 CB LEU A 772 3.238 0.622 1.667 1.00 0.00 C ATOM 1009 CG LEU A 772 4.422 -0.191 1.142 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.194 -1.677 1.375 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.649 0.090 -0.336 1.00 0.00 C ATOM 0 H LEU A 772 4.872 1.448 3.315 1.00 0.00 H new ATOM 0 HA LEU A 772 3.853 2.554 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 772 2.916 0.188 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.409 0.512 0.968 1.00 0.00 H new ATOM 0 HG LEU A 772 5.315 0.109 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.047 -2.240 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.082 -1.865 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.290 -1.992 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.495 -0.497 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.756 -0.182 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.858 1.150 -0.477 1.00 0.00 H new ATOM 1023 N PHE A 773 1.649 2.435 3.425 1.00 0.00 N ATOM 1024 CA PHE A 773 0.408 3.025 3.913 1.00 0.00 C ATOM 1025 C PHE A 773 0.491 4.549 3.907 1.00 0.00 C ATOM 1026 O PHE A 773 -0.501 5.234 3.660 1.00 0.00 O ATOM 1027 CB PHE A 773 0.102 2.526 5.327 1.00 0.00 C ATOM 1028 CG PHE A 773 -1.148 3.117 5.914 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.396 2.679 5.504 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -1.073 4.110 6.877 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.548 3.222 6.043 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -2.221 4.657 7.420 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.460 4.211 7.003 1.00 0.00 C ATOM 0 H PHE A 773 2.048 1.724 4.038 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.397 2.719 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.007 1.440 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 773 0.945 2.761 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.471 1.905 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -0.107 4.461 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.516 2.873 5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -2.149 5.432 8.169 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.358 4.635 7.427 1.00 0.00 H new ATOM 1043 N ASN A 774 1.681 5.072 4.182 1.00 0.00 N ATOM 1044 CA ASN A 774 1.894 6.514 4.209 1.00 0.00 C ATOM 1045 C ASN A 774 1.611 7.132 2.844 1.00 0.00 C ATOM 1046 O ASN A 774 0.773 8.025 2.718 1.00 0.00 O ATOM 1047 CB ASN A 774 3.329 6.831 4.637 1.00 0.00 C ATOM 1048 CG ASN A 774 3.467 6.970 6.141 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.538 7.403 6.823 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.631 6.603 6.665 1.00 0.00 N ATOM 0 H ASN A 774 2.513 4.519 4.389 1.00 0.00 H new ATOM 0 HA ASN A 774 1.202 6.944 4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.993 6.041 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.652 7.755 4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.783 6.675 7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.373 6.250 6.061 1.00 0.00 H new ATOM 1057 N GLU A 775 2.315 6.650 1.824 1.00 0.00 N ATOM 1058 CA GLU A 775 2.139 7.156 0.468 1.00 0.00 C ATOM 1059 C GLU A 775 0.699 6.964 -0.001 1.00 0.00 C ATOM 1060 O GLU A 775 0.144 7.811 -0.701 1.00 0.00 O ATOM 1061 CB GLU A 775 3.098 6.450 -0.492 1.00 0.00 C ATOM 1062 CG GLU A 775 2.958 6.903 -1.936 1.00 0.00 C ATOM 1063 CD GLU A 775 3.048 8.409 -2.086 1.00 0.00 C ATOM 1064 OE1 GLU A 775 2.110 9.107 -1.646 1.00 0.00 O ATOM 1065 OE2 GLU A 775 4.057 8.890 -2.643 1.00 0.00 O ATOM 0 H GLU A 775 3.012 5.910 1.911 1.00 0.00 H new ATOM 0 HA GLU A 775 2.362 8.223 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 775 4.122 6.625 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.926 5.375 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 775 3.737 6.435 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 775 2.002 6.559 -2.330 1.00 0.00 H new ATOM 1072 N PHE A 776 0.101 5.843 0.388 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.273 5.538 0.007 1.00 0.00 C ATOM 1074 C PHE A 776 -2.232 6.604 0.528 1.00 0.00 C ATOM 1075 O PHE A 776 -2.929 7.260 -0.246 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.680 4.164 0.543 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.066 3.749 0.138 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.171 4.196 0.844 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.263 2.912 -0.949 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.447 3.815 0.474 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.537 2.528 -1.324 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.630 2.981 -0.612 1.00 0.00 C ATOM 0 H PHE A 776 0.546 5.131 0.967 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.327 5.527 -1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -0.968 3.419 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.616 4.174 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -4.034 4.849 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.411 2.556 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.300 4.169 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.677 1.875 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.626 2.684 -0.904 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.262 6.771 1.847 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.134 7.757 2.473 1.00 0.00 C ATOM 1094 C VAL A 777 -2.758 9.172 2.048 1.00 0.00 C ATOM 1095 O VAL A 777 -3.626 10.005 1.791 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.077 7.662 4.009 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.405 6.250 4.470 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.710 8.094 4.519 1.00 0.00 C ATOM 0 H VAL A 777 -1.692 6.236 2.502 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.149 7.538 2.140 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.825 8.337 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.360 6.203 5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.408 5.982 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.683 5.552 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.687 8.021 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.942 7.446 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.520 9.125 4.221 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.458 9.436 1.976 1.00 0.00 N ATOM 1109 CA ALA A 778 -0.966 10.750 1.580 1.00 0.00 C ATOM 1110 C ALA A 778 -1.592 11.196 0.263 1.00 0.00 C ATOM 1111 O ALA A 778 -1.953 12.362 0.100 1.00 0.00 O ATOM 1112 CB ALA A 778 0.551 10.733 1.466 1.00 0.00 C ATOM 0 H ALA A 778 -0.726 8.757 2.187 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.254 11.466 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.905 11.721 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.985 10.466 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.851 10.000 0.717 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.718 10.262 -0.673 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.302 10.559 -1.975 1.00 0.00 C ATOM 1120 C ALA A 779 -3.826 10.520 -1.916 1.00 0.00 C ATOM 1121 O ALA A 779 -4.500 11.413 -2.427 1.00 0.00 O ATOM 1122 CB ALA A 779 -1.788 9.581 -3.021 1.00 0.00 C ATOM 0 H ALA A 779 -1.423 9.293 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.001 11.568 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.233 9.815 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.703 9.661 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.059 8.565 -2.734 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.362 9.478 -1.289 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.805 9.323 -1.162 1.00 0.00 C ATOM 1130 C ALA A 780 -6.465 10.636 -0.755 1.00 0.00 C ATOM 1131 O ALA A 780 -7.513 11.005 -1.284 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.132 8.231 -0.154 1.00 0.00 C ATOM 0 H ALA A 780 -3.818 8.729 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.201 9.034 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.214 8.126 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.701 7.287 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.716 8.497 0.818 1.00 0.00 H new ATOM 1138 N ARG A 781 -5.844 11.337 0.188 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.372 12.609 0.668 1.00 0.00 C ATOM 1140 C ARG A 781 -6.076 13.729 -0.325 1.00 0.00 C ATOM 1141 O ARG A 781 -4.982 14.293 -0.334 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.774 12.952 2.033 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.262 13.111 2.013 1.00 0.00 C ATOM 1144 CD ARG A 781 -3.661 12.888 3.392 1.00 0.00 C ATOM 1145 NE ARG A 781 -2.421 13.638 3.576 1.00 0.00 N ATOM 1146 CZ ARG A 781 -2.373 14.961 3.689 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -3.488 15.675 3.637 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -1.206 15.572 3.854 1.00 0.00 N ATOM 0 H ARG A 781 -4.975 11.046 0.635 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.453 12.511 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -6.223 13.877 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.039 12.169 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -3.830 12.402 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.005 14.109 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -4.381 13.186 4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -3.467 11.825 3.535 1.00 0.00 H new ATOM 0 HE ARG A 781 -1.545 13.118 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -4.386 15.209 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -3.448 16.690 3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -0.346 15.026 3.894 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -1.170 16.588 3.941 1.00 0.00 H new