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 Set 1.1: A 765 LYS NZ :NH3+ -160:sc= -0.54 (180deg=-0.96) USER MOD Set 1.2: A 767 LYS NZ :NH3+ 180:sc= -0.164 (180deg=-0.0525) USER MOD Set 2.1: A 735 MET CE :methyl 134:sc= -0.852 (180deg=-3.25) USER MOD Set 2.2: A 754 HIS : no HD1:sc= -5.16! C(o=-6!,f=-13!) 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) USER MOD Single : A 729 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0148) USER MOD Single : A 733 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 LYS NZ :NH3+ -116:sc= -0.478 (180deg=-2.57!) USER MOD Single : A 736 MET CE :methyl -162:sc= -3.06 (180deg=-4.59!) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 746 THR OG1 : rot 180:sc= 0 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 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 766 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 774 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.449 -9.694 -3.304 1.00 0.00 N ATOM 225 CA ILE A 725 9.232 -8.309 -2.906 1.00 0.00 C ATOM 226 C ILE A 725 8.206 -7.632 -3.808 1.00 0.00 C ATOM 227 O ILE A 725 7.220 -7.071 -3.331 1.00 0.00 O ATOM 228 CB ILE A 725 10.543 -7.501 -2.942 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.575 -8.119 -1.996 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.280 -6.049 -2.574 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.006 -7.880 -2.423 1.00 0.00 C ATOM 0 HA ILE A 725 8.855 -8.330 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 725 10.944 -7.531 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.430 -7.710 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.399 -9.193 -1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.216 -5.491 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.576 -5.615 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.859 -5.999 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 725 13.682 -8.346 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.168 -8.313 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.200 -6.808 -2.461 1.00 0.00 H new ATOM 243 N MET A 726 8.444 -7.690 -5.114 1.00 0.00 N ATOM 244 CA MET A 726 7.539 -7.085 -6.084 1.00 0.00 C ATOM 245 C MET A 726 6.139 -7.681 -5.966 1.00 0.00 C ATOM 246 O MET A 726 5.168 -6.963 -5.730 1.00 0.00 O ATOM 247 CB MET A 726 8.072 -7.282 -7.504 1.00 0.00 C ATOM 248 CG MET A 726 9.223 -6.354 -7.855 1.00 0.00 C ATOM 249 SD MET A 726 8.691 -4.648 -8.098 1.00 0.00 S ATOM 250 CE MET A 726 9.712 -4.169 -9.489 1.00 0.00 C ATOM 0 H MET A 726 9.256 -8.150 -5.525 1.00 0.00 H new ATOM 0 HA MET A 726 7.480 -6.018 -5.872 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.400 -8.315 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.260 -7.124 -8.213 1.00 0.00 H new ATOM 0 HG2 MET A 726 9.968 -6.388 -7.060 1.00 0.00 H new ATOM 0 HG3 MET A 726 9.709 -6.712 -8.763 1.00 0.00 H new ATOM 0 HE1 MET A 726 9.498 -3.135 -9.759 1.00 0.00 H new ATOM 0 HE2 MET A 726 10.764 -4.263 -9.218 1.00 0.00 H new ATOM 0 HE3 MET A 726 9.497 -4.817 -10.338 1.00 0.00 H new ATOM 260 N GLN A 727 6.045 -8.996 -6.132 1.00 0.00 N ATOM 261 CA GLN A 727 4.764 -9.687 -6.046 1.00 0.00 C ATOM 262 C GLN A 727 3.977 -9.222 -4.825 1.00 0.00 C ATOM 263 O GLN A 727 2.824 -8.808 -4.939 1.00 0.00 O ATOM 264 CB GLN A 727 4.980 -11.200 -5.982 1.00 0.00 C ATOM 265 CG GLN A 727 3.698 -12.004 -6.129 1.00 0.00 C ATOM 266 CD GLN A 727 3.956 -13.448 -6.511 1.00 0.00 C ATOM 267 OE1 GLN A 727 3.906 -14.344 -5.667 1.00 0.00 O ATOM 268 NE2 GLN A 727 4.233 -13.683 -7.788 1.00 0.00 N ATOM 0 H GLN A 727 6.840 -9.604 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 727 4.189 -9.447 -6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 727 5.675 -11.493 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 727 5.450 -11.452 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 727 3.145 -11.974 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.067 -11.539 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 727 4.264 -12.911 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 727 4.415 -14.636 -8.103 1.00 0.00 H new ATOM 277 N ALA A 728 4.608 -9.294 -3.657 1.00 0.00 N ATOM 278 CA ALA A 728 3.967 -8.880 -2.416 1.00 0.00 C ATOM 279 C ALA A 728 3.513 -7.426 -2.491 1.00 0.00 C ATOM 280 O ALA A 728 2.329 -7.125 -2.340 1.00 0.00 O ATOM 281 CB ALA A 728 4.913 -9.079 -1.241 1.00 0.00 C ATOM 0 H ALA A 728 5.563 -9.635 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 728 3.084 -9.502 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.421 -8.765 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.185 -10.132 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 728 5.812 -8.482 -1.393 1.00 0.00 H new ATOM 287 N LYS A 729 4.463 -6.526 -2.725 1.00 0.00 N ATOM 288 CA LYS A 729 4.162 -5.103 -2.821 1.00 0.00 C ATOM 289 C LYS A 729 2.923 -4.865 -3.679 1.00 0.00 C ATOM 290 O LYS A 729 2.071 -4.045 -3.339 1.00 0.00 O ATOM 291 CB LYS A 729 5.355 -4.347 -3.411 1.00 0.00 C ATOM 292 CG LYS A 729 6.339 -3.853 -2.364 1.00 0.00 C ATOM 293 CD LYS A 729 7.340 -2.875 -2.957 1.00 0.00 C ATOM 294 CE LYS A 729 8.013 -2.042 -1.877 1.00 0.00 C ATOM 295 NZ LYS A 729 8.810 -2.885 -0.943 1.00 0.00 N ATOM 0 H LYS A 729 5.448 -6.758 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 729 3.964 -4.731 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 729 5.878 -4.999 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 729 4.988 -3.495 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.796 -3.371 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.870 -4.702 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.096 -3.423 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.833 -2.217 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.663 -1.301 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 729 7.256 -1.494 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 9.280 -2.277 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 8.180 -3.553 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.527 -3.414 -1.479 1.00 0.00 H new ATOM 309 N GLU A 730 2.830 -5.589 -4.790 1.00 0.00 N ATOM 310 CA GLU A 730 1.694 -5.456 -5.694 1.00 0.00 C ATOM 311 C GLU A 730 0.386 -5.771 -4.974 1.00 0.00 C ATOM 312 O GLU A 730 -0.539 -4.957 -4.960 1.00 0.00 O ATOM 313 CB GLU A 730 1.862 -6.383 -6.899 1.00 0.00 C ATOM 314 CG GLU A 730 0.670 -6.377 -7.843 1.00 0.00 C ATOM 315 CD GLU A 730 0.791 -7.415 -8.942 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.885 -7.528 -9.534 1.00 0.00 O ATOM 317 OE2 GLU A 730 -0.208 -8.114 -9.209 1.00 0.00 O ATOM 0 H GLU A 730 3.527 -6.273 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 730 1.658 -4.424 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 730 2.754 -6.088 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 730 2.028 -7.400 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 730 -0.241 -6.561 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 730 0.571 -5.388 -8.291 1.00 0.00 H new ATOM 324 N ASP A 731 0.316 -6.956 -4.379 1.00 0.00 N ATOM 325 CA ASP A 731 -0.878 -7.379 -3.657 1.00 0.00 C ATOM 326 C ASP A 731 -1.289 -6.333 -2.625 1.00 0.00 C ATOM 327 O ASP A 731 -2.477 -6.090 -2.411 1.00 0.00 O ATOM 328 CB ASP A 731 -0.634 -8.723 -2.969 1.00 0.00 C ATOM 329 CG ASP A 731 -0.020 -9.748 -3.902 1.00 0.00 C ATOM 330 OD1 ASP A 731 -0.434 -9.802 -5.079 1.00 0.00 O ATOM 331 OD2 ASP A 731 0.875 -10.496 -3.455 1.00 0.00 O ATOM 0 H ASP A 731 1.072 -7.641 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.688 -7.490 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.024 -8.575 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.578 -9.107 -2.583 1.00 0.00 H new ATOM 336 N PHE A 732 -0.299 -5.718 -1.988 1.00 0.00 N ATOM 337 CA PHE A 732 -0.557 -4.699 -0.977 1.00 0.00 C ATOM 338 C PHE A 732 -1.112 -3.428 -1.614 1.00 0.00 C ATOM 339 O PHE A 732 -2.246 -3.031 -1.349 1.00 0.00 O ATOM 340 CB PHE A 732 0.726 -4.378 -0.206 1.00 0.00 C ATOM 341 CG PHE A 732 0.496 -3.535 1.015 1.00 0.00 C ATOM 342 CD1 PHE A 732 -0.176 -4.049 2.112 1.00 0.00 C ATOM 343 CD2 PHE A 732 0.953 -2.228 1.067 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.389 -3.276 3.238 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.743 -1.450 2.190 1.00 0.00 C ATOM 346 CZ PHE A 732 0.071 -1.974 3.276 1.00 0.00 C ATOM 0 H PHE A 732 0.690 -5.907 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 732 -1.301 -5.092 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.205 -5.311 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.419 -3.861 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.538 -5.066 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.479 -1.812 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.914 -3.689 4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.104 -0.433 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 732 -0.095 -1.367 4.154 1.00 0.00 H new ATOM 356 N LYS A 733 -0.303 -2.795 -2.457 1.00 0.00 N ATOM 357 CA LYS A 733 -0.710 -1.569 -3.134 1.00 0.00 C ATOM 358 C LYS A 733 -2.067 -1.746 -3.808 1.00 0.00 C ATOM 359 O LYS A 733 -2.908 -0.847 -3.780 1.00 0.00 O ATOM 360 CB LYS A 733 0.338 -1.163 -4.171 1.00 0.00 C ATOM 361 CG LYS A 733 1.539 -0.449 -3.575 1.00 0.00 C ATOM 362 CD LYS A 733 2.251 0.405 -4.611 1.00 0.00 C ATOM 363 CE LYS A 733 3.152 -0.436 -5.503 1.00 0.00 C ATOM 364 NZ LYS A 733 4.064 0.408 -6.323 1.00 0.00 N ATOM 0 H LYS A 733 0.639 -3.111 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.795 -0.781 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.680 -2.054 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -0.129 -0.514 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.215 0.179 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.234 -1.183 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 733 1.515 0.926 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 733 2.845 1.169 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 733 3.741 -1.115 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 733 2.539 -1.053 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 4.661 -0.202 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 3.502 1.038 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 4.667 0.978 -5.696 1.00 0.00 H new ATOM 378 N LYS A 734 -2.274 -2.911 -4.414 1.00 0.00 N ATOM 379 CA LYS A 734 -3.530 -3.207 -5.093 1.00 0.00 C ATOM 380 C LYS A 734 -4.635 -3.511 -4.087 1.00 0.00 C ATOM 381 O LYS A 734 -5.758 -3.027 -4.220 1.00 0.00 O ATOM 382 CB LYS A 734 -3.351 -4.393 -6.044 1.00 0.00 C ATOM 383 CG LYS A 734 -2.859 -3.996 -7.426 1.00 0.00 C ATOM 384 CD LYS A 734 -1.429 -3.485 -7.383 1.00 0.00 C ATOM 385 CE LYS A 734 -0.960 -3.027 -8.755 1.00 0.00 C ATOM 386 NZ LYS A 734 0.526 -2.960 -8.840 1.00 0.00 N ATOM 0 H LYS A 734 -1.588 -3.665 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.819 -2.327 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.644 -5.097 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.302 -4.916 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -2.920 -4.854 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -3.510 -3.224 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -1.358 -2.657 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -0.771 -4.273 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -1.337 -3.712 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -1.381 -2.046 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 0.821 -1.975 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 0.941 -3.309 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 0.855 -3.549 -9.631 1.00 0.00 H new ATOM 400 N MET A 735 -4.307 -4.315 -3.080 1.00 0.00 N ATOM 401 CA MET A 735 -5.272 -4.681 -2.050 1.00 0.00 C ATOM 402 C MET A 735 -5.813 -3.440 -1.346 1.00 0.00 C ATOM 403 O MET A 735 -6.997 -3.368 -1.019 1.00 0.00 O ATOM 404 CB MET A 735 -4.629 -5.621 -1.029 1.00 0.00 C ATOM 405 CG MET A 735 -5.497 -5.880 0.191 1.00 0.00 C ATOM 406 SD MET A 735 -4.603 -6.714 1.516 1.00 0.00 S ATOM 407 CE MET A 735 -3.335 -5.503 1.883 1.00 0.00 C ATOM 0 H MET A 735 -3.381 -4.725 -2.956 1.00 0.00 H new ATOM 0 HA MET A 735 -6.103 -5.195 -2.533 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.405 -6.571 -1.513 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.679 -5.197 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 735 -5.887 -4.932 0.562 1.00 0.00 H new ATOM 0 HG3 MET A 735 -6.355 -6.486 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 735 -3.259 -5.371 2.962 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.378 -5.848 1.492 1.00 0.00 H new ATOM 0 HE3 MET A 735 -3.595 -4.552 1.418 1.00 0.00 H new ATOM 417 N MET A 736 -4.937 -2.467 -1.116 1.00 0.00 N ATOM 418 CA MET A 736 -5.328 -1.229 -0.452 1.00 0.00 C ATOM 419 C MET A 736 -6.195 -0.371 -1.368 1.00 0.00 C ATOM 420 O MET A 736 -7.249 0.117 -0.960 1.00 0.00 O ATOM 421 CB MET A 736 -4.088 -0.444 -0.020 1.00 0.00 C ATOM 422 CG MET A 736 -3.455 -0.963 1.260 1.00 0.00 C ATOM 423 SD MET A 736 -2.194 0.149 1.912 1.00 0.00 S ATOM 424 CE MET A 736 -1.129 0.329 0.484 1.00 0.00 C ATOM 0 H MET A 736 -3.953 -2.512 -1.379 1.00 0.00 H new ATOM 0 HA MET A 736 -5.911 -1.488 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.349 -0.478 -0.821 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.360 0.602 0.118 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.231 -1.107 2.012 1.00 0.00 H new ATOM 0 HG3 MET A 736 -3.010 -1.940 1.070 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.158 0.710 0.800 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.999 -0.640 0.003 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.581 1.027 -0.221 1.00 0.00 H new ATOM 434 N GLU A 737 -5.744 -0.191 -2.605 1.00 0.00 N ATOM 435 CA GLU A 737 -6.479 0.609 -3.577 1.00 0.00 C ATOM 436 C GLU A 737 -7.940 0.174 -3.647 1.00 0.00 C ATOM 437 O GLU A 737 -8.841 1.005 -3.748 1.00 0.00 O ATOM 438 CB GLU A 737 -5.834 0.492 -4.960 1.00 0.00 C ATOM 439 CG GLU A 737 -4.663 1.438 -5.167 1.00 0.00 C ATOM 440 CD GLU A 737 -4.309 1.616 -6.630 1.00 0.00 C ATOM 441 OE1 GLU A 737 -4.503 0.660 -7.409 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.838 2.713 -6.997 1.00 0.00 O ATOM 0 H GLU A 737 -4.873 -0.588 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.443 1.649 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.493 -0.533 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.589 0.689 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -4.904 2.409 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.794 1.057 -4.630 1.00 0.00 H new ATOM 449 N GLU A 738 -8.165 -1.135 -3.592 1.00 0.00 N ATOM 450 CA GLU A 738 -9.515 -1.681 -3.651 1.00 0.00 C ATOM 451 C GLU A 738 -10.214 -1.551 -2.300 1.00 0.00 C ATOM 452 O GLU A 738 -11.379 -1.162 -2.227 1.00 0.00 O ATOM 453 CB GLU A 738 -9.478 -3.150 -4.078 1.00 0.00 C ATOM 454 CG GLU A 738 -9.300 -3.344 -5.574 1.00 0.00 C ATOM 455 CD GLU A 738 -9.882 -4.656 -6.066 1.00 0.00 C ATOM 456 OE1 GLU A 738 -9.816 -5.651 -5.314 1.00 0.00 O ATOM 457 OE2 GLU A 738 -10.402 -4.687 -7.200 1.00 0.00 O ATOM 0 H GLU A 738 -7.430 -1.837 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 738 -10.078 -1.110 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.663 -3.651 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.403 -3.634 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -9.776 -2.519 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.238 -3.308 -5.817 1.00 0.00 H new ATOM 464 N ALA A 739 -9.492 -1.879 -1.233 1.00 0.00 N ATOM 465 CA ALA A 739 -10.041 -1.797 0.114 1.00 0.00 C ATOM 466 C ALA A 739 -11.007 -0.625 0.244 1.00 0.00 C ATOM 467 O ALA A 739 -12.058 -0.739 0.875 1.00 0.00 O ATOM 468 CB ALA A 739 -8.919 -1.675 1.135 1.00 0.00 C ATOM 0 H ALA A 739 -8.526 -2.204 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.597 -2.714 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.344 -1.615 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.270 -2.548 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.339 -0.775 0.932 1.00 0.00 H new ATOM 474 N LYS A 740 -10.644 0.504 -0.357 1.00 0.00 N ATOM 475 CA LYS A 740 -11.479 1.699 -0.310 1.00 0.00 C ATOM 476 C LYS A 740 -11.665 2.176 1.127 1.00 0.00 C ATOM 477 O LYS A 740 -12.761 2.573 1.522 1.00 0.00 O ATOM 478 CB LYS A 740 -12.842 1.419 -0.947 1.00 0.00 C ATOM 479 CG LYS A 740 -12.852 1.580 -2.457 1.00 0.00 C ATOM 480 CD LYS A 740 -14.260 1.802 -2.985 1.00 0.00 C ATOM 481 CE LYS A 740 -14.651 3.271 -2.928 1.00 0.00 C ATOM 482 NZ LYS A 740 -14.105 4.035 -4.084 1.00 0.00 N ATOM 0 H LYS A 740 -9.777 0.616 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 740 -10.977 2.486 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -13.149 0.404 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -13.582 2.092 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -12.220 2.422 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -12.424 0.692 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -14.324 1.447 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -14.966 1.213 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -15.737 3.358 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -14.286 3.708 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -14.393 5.031 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -13.067 3.974 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -14.473 3.634 -4.970 1.00 0.00 H new ATOM 496 N PHE A 741 -10.587 2.136 1.903 1.00 0.00 N ATOM 497 CA PHE A 741 -10.632 2.565 3.296 1.00 0.00 C ATOM 498 C PHE A 741 -10.477 4.079 3.404 1.00 0.00 C ATOM 499 O PHE A 741 -10.197 4.757 2.417 1.00 0.00 O ATOM 500 CB PHE A 741 -9.533 1.869 4.102 1.00 0.00 C ATOM 501 CG PHE A 741 -8.145 2.257 3.681 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.678 3.545 3.891 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.306 1.334 3.077 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.401 3.905 3.504 1.00 0.00 C ATOM 505 CE2 PHE A 741 -6.028 1.688 2.688 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.574 2.975 2.903 1.00 0.00 C ATOM 0 H PHE A 741 -9.672 1.811 1.591 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.604 2.287 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.663 2.105 5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.647 0.790 4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.319 4.275 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.655 0.326 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -6.050 4.912 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.385 0.960 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.575 3.254 2.602 1.00 0.00 H new ATOM 516 N ASN A 742 -10.662 4.602 4.612 1.00 0.00 N ATOM 517 CA ASN A 742 -10.544 6.036 4.850 1.00 0.00 C ATOM 518 C ASN A 742 -9.154 6.388 5.373 1.00 0.00 C ATOM 519 O ASN A 742 -8.544 5.641 6.139 1.00 0.00 O ATOM 520 CB ASN A 742 -11.608 6.498 5.848 1.00 0.00 C ATOM 521 CG ASN A 742 -12.970 6.666 5.203 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.146 7.488 4.303 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.942 5.887 5.662 1.00 0.00 N ATOM 0 H ASN A 742 -10.894 4.054 5.441 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.697 6.550 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.680 5.774 6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.300 7.445 6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.880 5.956 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.751 5.220 6.409 1.00 0.00 H new ATOM 530 N PRO A 743 -8.641 7.553 4.951 1.00 0.00 N ATOM 531 CA PRO A 743 -7.318 8.031 5.364 1.00 0.00 C ATOM 532 C PRO A 743 -7.282 8.435 6.834 1.00 0.00 C ATOM 533 O PRO A 743 -6.256 8.895 7.336 1.00 0.00 O ATOM 534 CB PRO A 743 -7.086 9.250 4.469 1.00 0.00 C ATOM 535 CG PRO A 743 -8.453 9.725 4.112 1.00 0.00 C ATOM 536 CD PRO A 743 -9.312 8.493 4.038 1.00 0.00 C ATOM 0 HA PRO A 743 -6.555 7.259 5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.522 10.023 4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.514 8.985 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -8.832 10.421 4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.446 10.254 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.335 8.697 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.363 8.099 3.023 1.00 0.00 H new ATOM 544 N ARG A 744 -8.407 8.260 7.519 1.00 0.00 N ATOM 545 CA ARG A 744 -8.503 8.608 8.932 1.00 0.00 C ATOM 546 C ARG A 744 -8.093 7.430 9.811 1.00 0.00 C ATOM 547 O ARG A 744 -7.444 7.608 10.841 1.00 0.00 O ATOM 548 CB ARG A 744 -9.929 9.043 9.277 1.00 0.00 C ATOM 549 CG ARG A 744 -10.381 10.290 8.534 1.00 0.00 C ATOM 550 CD ARG A 744 -11.385 11.090 9.350 1.00 0.00 C ATOM 551 NE ARG A 744 -11.796 12.312 8.665 1.00 0.00 N ATOM 552 CZ ARG A 744 -12.316 13.364 9.287 1.00 0.00 C ATOM 553 NH1 ARG A 744 -12.486 13.343 10.602 1.00 0.00 N ATOM 554 NH2 ARG A 744 -12.666 14.440 8.595 1.00 0.00 N ATOM 0 H ARG A 744 -9.265 7.879 7.119 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.821 9.437 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.614 8.226 9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -9.995 9.225 10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -9.516 10.913 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.828 10.006 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.262 10.474 9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -10.947 11.345 10.315 1.00 0.00 H new ATOM 0 HE ARG A 744 -11.677 12.361 7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -12.217 12.518 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -12.886 14.152 11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -12.536 14.460 7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -13.065 15.247 9.074 1.00 0.00 H new ATOM 568 N ALA A 745 -8.476 6.227 9.396 1.00 0.00 N ATOM 569 CA ALA A 745 -8.147 5.020 10.144 1.00 0.00 C ATOM 570 C ALA A 745 -6.694 5.039 10.605 1.00 0.00 C ATOM 571 O ALA A 745 -5.829 5.617 9.945 1.00 0.00 O ATOM 572 CB ALA A 745 -8.419 3.785 9.298 1.00 0.00 C ATOM 0 H ALA A 745 -9.015 6.062 8.546 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.781 4.987 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -8.169 2.891 9.869 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.473 3.757 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.810 3.821 8.395 1.00 0.00 H new ATOM 578 N THR A 746 -6.430 4.403 11.742 1.00 0.00 N ATOM 579 CA THR A 746 -5.081 4.349 12.292 1.00 0.00 C ATOM 580 C THR A 746 -4.344 3.102 11.818 1.00 0.00 C ATOM 581 O THR A 746 -4.924 2.018 11.738 1.00 0.00 O ATOM 582 CB THR A 746 -5.102 4.365 13.832 1.00 0.00 C ATOM 583 OG1 THR A 746 -3.764 4.431 14.339 1.00 0.00 O ATOM 584 CG2 THR A 746 -5.796 3.126 14.377 1.00 0.00 C ATOM 0 H THR A 746 -7.133 3.918 12.300 1.00 0.00 H new ATOM 0 HA THR A 746 -4.557 5.235 11.934 1.00 0.00 H new ATOM 0 HB THR A 746 -5.657 5.245 14.157 1.00 0.00 H new ATOM 0 HG1 THR A 746 -3.786 4.443 15.319 1.00 0.00 H new ATOM 0 HG21 THR A 746 -5.798 3.160 15.466 1.00 0.00 H new ATOM 0 HG22 THR A 746 -6.823 3.094 14.013 1.00 0.00 H new ATOM 0 HG23 THR A 746 -5.265 2.235 14.043 1.00 0.00 H new ATOM 592 N PHE A 747 -3.062 3.261 11.505 1.00 0.00 N ATOM 593 CA PHE A 747 -2.245 2.147 11.038 1.00 0.00 C ATOM 594 C PHE A 747 -2.504 0.896 11.872 1.00 0.00 C ATOM 595 O PHE A 747 -2.697 -0.194 11.333 1.00 0.00 O ATOM 596 CB PHE A 747 -0.762 2.515 11.096 1.00 0.00 C ATOM 597 CG PHE A 747 0.151 1.396 10.682 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.043 0.826 9.424 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.116 0.914 11.552 1.00 0.00 C ATOM 600 CE1 PHE A 747 0.881 -0.203 9.040 1.00 0.00 C ATOM 601 CE2 PHE A 747 1.957 -0.116 11.173 1.00 0.00 C ATOM 602 CZ PHE A 747 1.839 -0.676 9.916 1.00 0.00 C ATOM 0 H PHE A 747 -2.567 4.151 11.566 1.00 0.00 H new ATOM 0 HA PHE A 747 -2.519 1.936 10.004 1.00 0.00 H new ATOM 0 HB2 PHE A 747 -0.584 3.376 10.451 1.00 0.00 H new ATOM 0 HB3 PHE A 747 -0.511 2.821 12.112 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.705 1.190 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 747 1.212 1.347 12.537 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.787 -0.637 8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 747 2.706 -0.482 11.860 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.494 -1.482 9.619 1.00 0.00 H new ATOM 612 N SER A 748 -2.505 1.061 13.191 1.00 0.00 N ATOM 613 CA SER A 748 -2.736 -0.055 14.101 1.00 0.00 C ATOM 614 C SER A 748 -3.957 -0.862 13.673 1.00 0.00 C ATOM 615 O SER A 748 -3.956 -2.091 13.737 1.00 0.00 O ATOM 616 CB SER A 748 -2.923 0.456 15.531 1.00 0.00 C ATOM 617 OG SER A 748 -2.797 -0.598 16.470 1.00 0.00 O ATOM 0 H SER A 748 -2.348 1.957 13.653 1.00 0.00 H new ATOM 0 HA SER A 748 -1.863 -0.706 14.067 1.00 0.00 H new ATOM 0 HB2 SER A 748 -2.183 1.228 15.744 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.905 0.919 15.629 1.00 0.00 H new ATOM 0 HG SER A 748 -2.919 -0.245 17.376 1.00 0.00 H new ATOM 623 N GLU A 749 -4.999 -0.161 13.236 1.00 0.00 N ATOM 624 CA GLU A 749 -6.228 -0.812 12.798 1.00 0.00 C ATOM 625 C GLU A 749 -6.047 -1.446 11.422 1.00 0.00 C ATOM 626 O GLU A 749 -6.130 -2.665 11.272 1.00 0.00 O ATOM 627 CB GLU A 749 -7.379 0.195 12.761 1.00 0.00 C ATOM 628 CG GLU A 749 -8.147 0.291 14.069 1.00 0.00 C ATOM 629 CD GLU A 749 -9.602 0.665 13.865 1.00 0.00 C ATOM 630 OE1 GLU A 749 -10.422 -0.247 13.629 1.00 0.00 O ATOM 631 OE2 GLU A 749 -9.921 1.870 13.941 1.00 0.00 O ATOM 0 H GLU A 749 -5.016 0.857 13.176 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.467 -1.599 13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.982 1.179 12.510 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -8.069 -0.084 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -8.091 -0.665 14.590 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -7.672 1.032 14.711 1.00 0.00 H new ATOM 638 N PHE A 750 -5.800 -0.609 10.419 1.00 0.00 N ATOM 639 CA PHE A 750 -5.609 -1.086 9.055 1.00 0.00 C ATOM 640 C PHE A 750 -4.721 -2.327 9.032 1.00 0.00 C ATOM 641 O PHE A 750 -5.015 -3.300 8.338 1.00 0.00 O ATOM 642 CB PHE A 750 -4.990 0.014 8.190 1.00 0.00 C ATOM 643 CG PHE A 750 -4.457 -0.485 6.877 1.00 0.00 C ATOM 644 CD1 PHE A 750 -3.174 -1.002 6.787 1.00 0.00 C ATOM 645 CD2 PHE A 750 -5.237 -0.437 5.733 1.00 0.00 C ATOM 646 CE1 PHE A 750 -2.681 -1.461 5.580 1.00 0.00 C ATOM 647 CE2 PHE A 750 -4.750 -0.894 4.524 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.470 -1.408 4.448 1.00 0.00 C ATOM 0 H PHE A 750 -5.728 0.403 10.526 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.585 -1.352 8.649 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.740 0.782 8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -4.181 0.489 8.745 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -2.553 -1.047 7.669 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -6.239 -0.037 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -1.679 -1.861 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -5.369 -0.850 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 750 -3.087 -1.768 3.505 1.00 0.00 H new ATOM 658 N ALA A 751 -3.634 -2.284 9.795 1.00 0.00 N ATOM 659 CA ALA A 751 -2.704 -3.404 9.864 1.00 0.00 C ATOM 660 C ALA A 751 -3.332 -4.595 10.579 1.00 0.00 C ATOM 661 O ALA A 751 -3.319 -5.715 10.069 1.00 0.00 O ATOM 662 CB ALA A 751 -1.421 -2.982 10.564 1.00 0.00 C ATOM 0 H ALA A 751 -3.376 -1.485 10.374 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.465 -3.710 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.736 -3.828 10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.956 -2.167 10.010 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.651 -2.648 11.576 1.00 0.00 H new ATOM 668 N ALA A 752 -3.880 -4.347 11.764 1.00 0.00 N ATOM 669 CA ALA A 752 -4.514 -5.399 12.548 1.00 0.00 C ATOM 670 C ALA A 752 -5.580 -6.125 11.734 1.00 0.00 C ATOM 671 O ALA A 752 -5.774 -7.332 11.881 1.00 0.00 O ATOM 672 CB ALA A 752 -5.121 -4.819 13.817 1.00 0.00 C ATOM 0 H ALA A 752 -3.897 -3.426 12.202 1.00 0.00 H new ATOM 0 HA ALA A 752 -3.748 -6.124 12.823 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.591 -5.616 14.393 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.338 -4.353 14.415 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.870 -4.072 13.554 1.00 0.00 H new ATOM 678 N LYS A 753 -6.269 -5.382 10.875 1.00 0.00 N ATOM 679 CA LYS A 753 -7.316 -5.954 10.036 1.00 0.00 C ATOM 680 C LYS A 753 -6.716 -6.656 8.822 1.00 0.00 C ATOM 681 O LYS A 753 -6.850 -7.871 8.666 1.00 0.00 O ATOM 682 CB LYS A 753 -8.285 -4.861 9.579 1.00 0.00 C ATOM 683 CG LYS A 753 -9.144 -4.303 10.700 1.00 0.00 C ATOM 684 CD LYS A 753 -10.412 -5.119 10.890 1.00 0.00 C ATOM 685 CE LYS A 753 -11.022 -4.889 12.265 1.00 0.00 C ATOM 686 NZ LYS A 753 -11.855 -3.655 12.302 1.00 0.00 N ATOM 0 H LYS A 753 -6.121 -4.382 10.741 1.00 0.00 H new ATOM 0 HA LYS A 753 -7.861 -6.690 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.716 -4.047 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -8.934 -5.264 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -8.573 -4.295 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -9.406 -3.268 10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -11.136 -4.852 10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -10.187 -6.178 10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.634 -5.749 12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -10.227 -4.813 13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -12.253 -3.533 13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -11.266 -2.831 12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -12.629 -3.738 11.612 1.00 0.00 H new ATOM 700 N HIS A 754 -6.054 -5.886 7.965 1.00 0.00 N ATOM 701 CA HIS A 754 -5.432 -6.436 6.765 1.00 0.00 C ATOM 702 C HIS A 754 -4.533 -7.618 7.113 1.00 0.00 C ATOM 703 O HIS A 754 -4.365 -8.538 6.313 1.00 0.00 O ATOM 704 CB HIS A 754 -4.621 -5.358 6.046 1.00 0.00 C ATOM 705 CG HIS A 754 -5.464 -4.386 5.279 1.00 0.00 C ATOM 706 ND1 HIS A 754 -5.487 -4.334 3.901 1.00 0.00 N ATOM 707 CD2 HIS A 754 -6.318 -3.426 5.704 1.00 0.00 C ATOM 708 CE1 HIS A 754 -6.318 -3.383 3.512 1.00 0.00 C ATOM 709 NE2 HIS A 754 -6.836 -2.817 4.588 1.00 0.00 N ATOM 0 H HIS A 754 -5.934 -4.879 8.079 1.00 0.00 H new ATOM 0 HA HIS A 754 -6.224 -6.787 6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -4.027 -4.812 6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -3.921 -5.837 5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -6.549 -3.184 6.731 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -6.537 -3.114 2.489 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -7.511 -2.052 4.589 1.00 0.00 H new ATOM 717 N ALA A 755 -3.958 -7.586 8.311 1.00 0.00 N ATOM 718 CA ALA A 755 -3.078 -8.656 8.764 1.00 0.00 C ATOM 719 C ALA A 755 -3.624 -10.022 8.366 1.00 0.00 C ATOM 720 O ALA A 755 -3.035 -10.722 7.541 1.00 0.00 O ATOM 721 CB ALA A 755 -2.888 -8.580 10.272 1.00 0.00 C ATOM 0 H ALA A 755 -4.086 -6.831 8.985 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.110 -8.526 8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.229 -9.385 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -2.445 -7.620 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -3.854 -8.681 10.766 1.00 0.00 H new ATOM 727 N LYS A 756 -4.753 -10.398 8.957 1.00 0.00 N ATOM 728 CA LYS A 756 -5.380 -11.682 8.664 1.00 0.00 C ATOM 729 C LYS A 756 -5.320 -11.988 7.171 1.00 0.00 C ATOM 730 O LYS A 756 -5.265 -13.150 6.768 1.00 0.00 O ATOM 731 CB LYS A 756 -6.835 -11.682 9.138 1.00 0.00 C ATOM 732 CG LYS A 756 -7.405 -13.073 9.352 1.00 0.00 C ATOM 733 CD LYS A 756 -8.702 -13.029 10.142 1.00 0.00 C ATOM 734 CE LYS A 756 -9.358 -14.399 10.215 1.00 0.00 C ATOM 735 NZ LYS A 756 -8.573 -15.346 11.055 1.00 0.00 N ATOM 0 H LYS A 756 -5.253 -9.832 9.642 1.00 0.00 H new ATOM 0 HA LYS A 756 -4.831 -12.457 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -6.904 -11.123 10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.447 -11.156 8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -7.582 -13.547 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -6.677 -13.688 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -8.503 -12.666 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -9.388 -12.320 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -10.364 -14.299 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -9.462 -14.806 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -9.053 -16.268 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -7.622 -15.462 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -8.495 -14.970 12.022 1.00 0.00 H new ATOM 749 N ASP A 757 -5.331 -10.940 6.356 1.00 0.00 N ATOM 750 CA ASP A 757 -5.275 -11.097 4.907 1.00 0.00 C ATOM 751 C ASP A 757 -3.896 -11.576 4.465 1.00 0.00 C ATOM 752 O ASP A 757 -2.942 -10.798 4.422 1.00 0.00 O ATOM 753 CB ASP A 757 -5.616 -9.776 4.216 1.00 0.00 C ATOM 754 CG ASP A 757 -6.046 -9.971 2.775 1.00 0.00 C ATOM 755 OD1 ASP A 757 -5.279 -10.585 2.004 1.00 0.00 O ATOM 756 OD2 ASP A 757 -7.150 -9.509 2.419 1.00 0.00 O ATOM 0 H ASP A 757 -5.378 -9.972 6.674 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.010 -11.849 4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.414 -9.277 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.748 -9.118 4.247 1.00 0.00 H new ATOM 761 N SER A 758 -3.797 -12.860 4.138 1.00 0.00 N ATOM 762 CA SER A 758 -2.533 -13.444 3.704 1.00 0.00 C ATOM 763 C SER A 758 -1.720 -12.438 2.895 1.00 0.00 C ATOM 764 O SER A 758 -0.610 -12.069 3.279 1.00 0.00 O ATOM 765 CB SER A 758 -2.788 -14.701 2.870 1.00 0.00 C ATOM 766 OG SER A 758 -3.129 -15.801 3.695 1.00 0.00 O ATOM 0 H SER A 758 -4.577 -13.516 4.165 1.00 0.00 H new ATOM 0 HA SER A 758 -1.962 -13.716 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.593 -14.512 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 758 -1.898 -14.941 2.288 1.00 0.00 H new ATOM 0 HG SER A 758 -3.289 -16.591 3.137 1.00 0.00 H new ATOM 772 N ARG A 759 -2.281 -12.000 1.773 1.00 0.00 N ATOM 773 CA ARG A 759 -1.609 -11.038 0.908 1.00 0.00 C ATOM 774 C ARG A 759 -0.874 -9.985 1.733 1.00 0.00 C ATOM 775 O ARG A 759 0.318 -9.748 1.537 1.00 0.00 O ATOM 776 CB ARG A 759 -2.619 -10.361 -0.020 1.00 0.00 C ATOM 777 CG ARG A 759 -3.407 -11.337 -0.878 1.00 0.00 C ATOM 778 CD ARG A 759 -4.505 -10.631 -1.659 1.00 0.00 C ATOM 779 NE ARG A 759 -5.461 -9.965 -0.778 1.00 0.00 N ATOM 780 CZ ARG A 759 -6.701 -9.655 -1.140 1.00 0.00 C ATOM 781 NH1 ARG A 759 -7.133 -9.950 -2.358 1.00 0.00 N ATOM 782 NH2 ARG A 759 -7.512 -9.050 -0.282 1.00 0.00 N ATOM 0 H ARG A 759 -3.199 -12.296 1.442 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.878 -11.578 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.315 -9.774 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.091 -9.663 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.733 -11.841 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.847 -12.107 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.058 -9.897 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -5.030 -11.355 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 759 -5.160 -9.725 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -6.513 -10.416 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -8.086 -9.711 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -7.184 -8.822 0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -8.464 -8.812 -0.561 1.00 0.00 H new ATOM 796 N PHE A 760 -1.595 -9.356 2.656 1.00 0.00 N ATOM 797 CA PHE A 760 -1.013 -8.327 3.510 1.00 0.00 C ATOM 798 C PHE A 760 0.243 -8.845 4.206 1.00 0.00 C ATOM 799 O PHE A 760 1.289 -8.197 4.188 1.00 0.00 O ATOM 800 CB PHE A 760 -2.032 -7.862 4.552 1.00 0.00 C ATOM 801 CG PHE A 760 -1.451 -6.949 5.593 1.00 0.00 C ATOM 802 CD1 PHE A 760 -0.747 -7.464 6.670 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.610 -5.576 5.496 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.211 -6.627 7.630 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.076 -4.734 6.453 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.376 -5.260 7.522 1.00 0.00 C ATOM 0 H PHE A 760 -2.583 -9.541 2.831 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.736 -7.481 2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.849 -7.349 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.460 -8.735 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -0.616 -8.532 6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.157 -5.159 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 760 0.336 -7.041 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.206 -3.665 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 760 0.041 -4.604 8.271 1.00 0.00 H new ATOM 816 N LYS A 761 0.130 -10.017 4.821 1.00 0.00 N ATOM 817 CA LYS A 761 1.254 -10.624 5.524 1.00 0.00 C ATOM 818 C LYS A 761 2.533 -10.515 4.701 1.00 0.00 C ATOM 819 O LYS A 761 3.616 -10.299 5.244 1.00 0.00 O ATOM 820 CB LYS A 761 0.956 -12.093 5.832 1.00 0.00 C ATOM 821 CG LYS A 761 -0.250 -12.294 6.733 1.00 0.00 C ATOM 822 CD LYS A 761 -0.410 -13.751 7.135 1.00 0.00 C ATOM 823 CE LYS A 761 0.594 -14.146 8.206 1.00 0.00 C ATOM 824 NZ LYS A 761 0.676 -15.624 8.371 1.00 0.00 N ATOM 0 H LYS A 761 -0.729 -10.566 4.847 1.00 0.00 H new ATOM 0 HA LYS A 761 1.399 -10.085 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.792 -12.626 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.830 -12.541 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.144 -11.679 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.150 -11.957 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -1.422 -13.919 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -0.280 -14.388 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 761 1.577 -13.755 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.311 -13.690 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 1.371 -15.853 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -0.256 -15.995 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 0.970 -16.058 7.473 1.00 0.00 H new ATOM 838 N ALA A 762 2.401 -10.665 3.387 1.00 0.00 N ATOM 839 CA ALA A 762 3.545 -10.580 2.488 1.00 0.00 C ATOM 840 C ALA A 762 4.532 -9.516 2.956 1.00 0.00 C ATOM 841 O ALA A 762 5.745 -9.728 2.936 1.00 0.00 O ATOM 842 CB ALA A 762 3.082 -10.286 1.069 1.00 0.00 C ATOM 0 H ALA A 762 1.512 -10.846 2.921 1.00 0.00 H new ATOM 0 HA ALA A 762 4.056 -11.543 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.947 -10.225 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.422 -11.084 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.545 -9.338 1.051 1.00 0.00 H new ATOM 848 N ILE A 763 4.005 -8.370 3.375 1.00 0.00 N ATOM 849 CA ILE A 763 4.840 -7.273 3.847 1.00 0.00 C ATOM 850 C ILE A 763 5.238 -7.473 5.306 1.00 0.00 C ATOM 851 O ILE A 763 4.513 -7.076 6.217 1.00 0.00 O ATOM 852 CB ILE A 763 4.123 -5.917 3.704 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.699 -5.691 2.252 1.00 0.00 C ATOM 854 CG2 ILE A 763 5.024 -4.788 4.182 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.846 -5.774 1.268 1.00 0.00 C ATOM 0 H ILE A 763 3.004 -8.178 3.397 1.00 0.00 H new ATOM 0 HA ILE A 763 5.735 -7.269 3.225 1.00 0.00 H new ATOM 0 HB ILE A 763 3.228 -5.928 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.945 -6.431 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 763 3.228 -4.711 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.503 -3.837 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.280 -4.945 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.936 -4.772 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.472 -5.604 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.590 -5.016 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.303 -6.762 1.324 1.00 0.00 H new ATOM 867 N GLU A 764 6.396 -8.091 5.518 1.00 0.00 N ATOM 868 CA GLU A 764 6.890 -8.343 6.866 1.00 0.00 C ATOM 869 C GLU A 764 7.591 -7.110 7.428 1.00 0.00 C ATOM 870 O GLU A 764 7.249 -6.624 8.507 1.00 0.00 O ATOM 871 CB GLU A 764 7.851 -9.534 6.867 1.00 0.00 C ATOM 872 CG GLU A 764 7.389 -10.690 5.995 1.00 0.00 C ATOM 873 CD GLU A 764 7.920 -12.028 6.471 1.00 0.00 C ATOM 874 OE1 GLU A 764 9.082 -12.353 6.147 1.00 0.00 O ATOM 875 OE2 GLU A 764 7.175 -12.750 7.165 1.00 0.00 O ATOM 0 H GLU A 764 7.008 -8.426 4.774 1.00 0.00 H new ATOM 0 HA GLU A 764 6.035 -8.575 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 764 8.830 -9.200 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 764 7.975 -9.889 7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 764 6.299 -10.719 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.714 -10.519 4.969 1.00 0.00 H new ATOM 882 N LYS A 765 8.575 -6.608 6.689 1.00 0.00 N ATOM 883 CA LYS A 765 9.325 -5.431 7.111 1.00 0.00 C ATOM 884 C LYS A 765 8.384 -4.329 7.590 1.00 0.00 C ATOM 885 O LYS A 765 7.697 -3.696 6.789 1.00 0.00 O ATOM 886 CB LYS A 765 10.190 -4.913 5.960 1.00 0.00 C ATOM 887 CG LYS A 765 11.189 -5.933 5.444 1.00 0.00 C ATOM 888 CD LYS A 765 11.900 -5.436 4.196 1.00 0.00 C ATOM 889 CE LYS A 765 13.170 -4.674 4.545 1.00 0.00 C ATOM 890 NZ LYS A 765 12.892 -3.243 4.849 1.00 0.00 N ATOM 0 H LYS A 765 8.872 -6.998 5.795 1.00 0.00 H new ATOM 0 HA LYS A 765 9.970 -5.720 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 765 9.542 -4.604 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.728 -4.025 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.923 -6.149 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.674 -6.868 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 765 12.147 -6.282 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.231 -4.790 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 765 13.649 -5.142 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 765 13.873 -4.739 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 13.767 -2.690 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 12.176 -2.880 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 12.539 -3.157 5.823 1.00 0.00 H new ATOM 904 N MET A 766 8.361 -4.104 8.899 1.00 0.00 N ATOM 905 CA MET A 766 7.507 -3.077 9.483 1.00 0.00 C ATOM 906 C MET A 766 7.693 -1.743 8.766 1.00 0.00 C ATOM 907 O MET A 766 6.723 -1.114 8.343 1.00 0.00 O ATOM 908 CB MET A 766 7.813 -2.915 10.973 1.00 0.00 C ATOM 909 CG MET A 766 6.742 -2.151 11.735 1.00 0.00 C ATOM 910 SD MET A 766 7.251 -1.724 13.411 1.00 0.00 S ATOM 911 CE MET A 766 5.756 -2.095 14.324 1.00 0.00 C ATOM 0 H MET A 766 8.924 -4.619 9.576 1.00 0.00 H new ATOM 0 HA MET A 766 6.470 -3.392 9.365 1.00 0.00 H new ATOM 0 HB2 MET A 766 7.931 -3.902 11.420 1.00 0.00 H new ATOM 0 HB3 MET A 766 8.766 -2.398 11.086 1.00 0.00 H new ATOM 0 HG2 MET A 766 6.496 -1.239 11.191 1.00 0.00 H new ATOM 0 HG3 MET A 766 5.834 -2.752 11.778 1.00 0.00 H new ATOM 0 HE1 MET A 766 5.913 -1.882 15.381 1.00 0.00 H new ATOM 0 HE2 MET A 766 4.938 -1.481 13.947 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.506 -3.149 14.200 1.00 0.00 H new ATOM 921 N LYS A 767 8.945 -1.318 8.633 1.00 0.00 N ATOM 922 CA LYS A 767 9.259 -0.059 7.966 1.00 0.00 C ATOM 923 C LYS A 767 8.492 0.067 6.654 1.00 0.00 C ATOM 924 O LYS A 767 7.995 1.141 6.315 1.00 0.00 O ATOM 925 CB LYS A 767 10.763 0.040 7.702 1.00 0.00 C ATOM 926 CG LYS A 767 11.268 -0.962 6.678 1.00 0.00 C ATOM 927 CD LYS A 767 11.212 -0.396 5.269 1.00 0.00 C ATOM 928 CE LYS A 767 12.395 0.518 4.988 1.00 0.00 C ATOM 929 NZ LYS A 767 13.650 -0.253 4.765 1.00 0.00 N ATOM 0 H LYS A 767 9.759 -1.827 8.978 1.00 0.00 H new ATOM 0 HA LYS A 767 8.957 0.757 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 767 10.998 1.047 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 767 11.299 -0.110 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 767 12.294 -1.243 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 767 10.668 -1.871 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 767 11.203 -1.213 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 767 10.283 0.158 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 767 12.182 1.128 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 767 12.533 1.202 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 14.433 0.405 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 13.867 -0.816 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 13.528 -0.887 3.950 1.00 0.00 H new ATOM 943 N ASP A 768 8.398 -1.036 5.920 1.00 0.00 N ATOM 944 CA ASP A 768 7.689 -1.049 4.646 1.00 0.00 C ATOM 945 C ASP A 768 6.194 -0.827 4.853 1.00 0.00 C ATOM 946 O ASP A 768 5.579 -0.005 4.175 1.00 0.00 O ATOM 947 CB ASP A 768 7.925 -2.375 3.920 1.00 0.00 C ATOM 948 CG ASP A 768 9.152 -2.337 3.030 1.00 0.00 C ATOM 949 OD1 ASP A 768 9.520 -1.235 2.572 1.00 0.00 O ATOM 950 OD2 ASP A 768 9.745 -3.410 2.792 1.00 0.00 O ATOM 0 H ASP A 768 8.804 -1.933 6.186 1.00 0.00 H new ATOM 0 HA ASP A 768 8.077 -0.235 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 768 8.037 -3.173 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.050 -2.617 3.317 1.00 0.00 H new ATOM 955 N ARG A 769 5.617 -1.568 5.794 1.00 0.00 N ATOM 956 CA ARG A 769 4.193 -1.454 6.089 1.00 0.00 C ATOM 957 C ARG A 769 3.791 0.007 6.270 1.00 0.00 C ATOM 958 O ARG A 769 2.894 0.502 5.589 1.00 0.00 O ATOM 959 CB ARG A 769 3.847 -2.249 7.348 1.00 0.00 C ATOM 960 CG ARG A 769 4.161 -3.732 7.238 1.00 0.00 C ATOM 961 CD ARG A 769 4.157 -4.406 8.602 1.00 0.00 C ATOM 962 NE ARG A 769 2.824 -4.867 8.980 1.00 0.00 N ATOM 963 CZ ARG A 769 2.470 -5.148 10.229 1.00 0.00 C ATOM 964 NH1 ARG A 769 3.346 -5.014 11.215 1.00 0.00 N ATOM 965 NH2 ARG A 769 1.238 -5.563 10.494 1.00 0.00 N ATOM 0 H ARG A 769 6.113 -2.253 6.365 1.00 0.00 H new ATOM 0 HA ARG A 769 3.638 -1.864 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.395 -1.832 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.786 -2.126 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 769 3.427 -4.213 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 769 5.136 -3.865 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 769 4.844 -5.252 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 769 4.525 -3.707 9.353 1.00 0.00 H new ATOM 0 HE ARG A 769 2.126 -4.979 8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 769 4.294 -4.695 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 769 3.072 -5.230 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 769 0.561 -5.667 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 769 0.968 -5.778 11.454 1.00 0.00 H new ATOM 979 N GLU A 770 4.462 0.690 7.192 1.00 0.00 N ATOM 980 CA GLU A 770 4.172 2.093 7.463 1.00 0.00 C ATOM 981 C GLU A 770 4.448 2.953 6.233 1.00 0.00 C ATOM 982 O GLU A 770 3.663 3.837 5.891 1.00 0.00 O ATOM 983 CB GLU A 770 5.008 2.591 8.644 1.00 0.00 C ATOM 984 CG GLU A 770 4.334 3.692 9.446 1.00 0.00 C ATOM 985 CD GLU A 770 5.300 4.422 10.360 1.00 0.00 C ATOM 986 OE1 GLU A 770 6.164 5.160 9.842 1.00 0.00 O ATOM 987 OE2 GLU A 770 5.190 4.256 11.593 1.00 0.00 O ATOM 0 H GLU A 770 5.209 0.295 7.763 1.00 0.00 H new ATOM 0 HA GLU A 770 3.115 2.177 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.224 1.752 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 770 5.965 2.958 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 770 3.876 4.407 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.530 3.262 10.043 1.00 0.00 H new ATOM 994 N ALA A 771 5.570 2.687 5.572 1.00 0.00 N ATOM 995 CA ALA A 771 5.950 3.435 4.380 1.00 0.00 C ATOM 996 C ALA A 771 4.854 3.373 3.321 1.00 0.00 C ATOM 997 O ALA A 771 4.235 4.386 2.994 1.00 0.00 O ATOM 998 CB ALA A 771 7.260 2.902 3.818 1.00 0.00 C ATOM 0 H ALA A 771 6.232 1.959 5.842 1.00 0.00 H new ATOM 0 HA ALA A 771 6.087 4.479 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.532 3.470 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.045 3.003 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.142 1.851 3.556 1.00 0.00 H new ATOM 1004 N LEU A 772 4.619 2.178 2.788 1.00 0.00 N ATOM 1005 CA LEU A 772 3.598 1.984 1.765 1.00 0.00 C ATOM 1006 C LEU A 772 2.301 2.689 2.150 1.00 0.00 C ATOM 1007 O LEU A 772 1.813 3.555 1.423 1.00 0.00 O ATOM 1008 CB LEU A 772 3.337 0.492 1.554 1.00 0.00 C ATOM 1009 CG LEU A 772 4.442 -0.288 0.839 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.297 -1.779 1.100 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.415 -0.001 -0.655 1.00 0.00 C ATOM 0 H LEU A 772 5.122 1.330 3.048 1.00 0.00 H new ATOM 0 HA LEU A 772 3.964 2.418 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.167 0.032 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.415 0.382 0.984 1.00 0.00 H new ATOM 0 HG LEU A 772 5.404 0.037 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.091 -2.318 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.366 -1.969 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.329 -2.120 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.208 -0.564 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.450 -0.298 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.568 1.065 -0.824 1.00 0.00 H new ATOM 1023 N PHE A 773 1.748 2.314 3.299 1.00 0.00 N ATOM 1024 CA PHE A 773 0.508 2.911 3.781 1.00 0.00 C ATOM 1025 C PHE A 773 0.612 4.433 3.809 1.00 0.00 C ATOM 1026 O PHE A 773 -0.133 5.129 3.121 1.00 0.00 O ATOM 1027 CB PHE A 773 0.174 2.385 5.179 1.00 0.00 C ATOM 1028 CG PHE A 773 -1.104 2.941 5.739 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.320 2.660 5.137 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -1.089 3.744 6.868 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.497 3.172 5.650 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -2.263 4.258 7.386 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.468 3.970 6.777 1.00 0.00 C ATOM 0 H PHE A 773 2.139 1.600 3.913 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.291 2.632 3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.103 1.298 5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 773 0.994 2.628 5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.348 2.034 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -0.149 3.971 7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.438 2.948 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -2.238 4.884 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.387 4.368 7.181 1.00 0.00 H new ATOM 1043 N ASN A 774 1.542 4.942 4.611 1.00 0.00 N ATOM 1044 CA ASN A 774 1.743 6.381 4.731 1.00 0.00 C ATOM 1045 C ASN A 774 1.609 7.064 3.373 1.00 0.00 C ATOM 1046 O ASN A 774 0.982 8.116 3.257 1.00 0.00 O ATOM 1047 CB ASN A 774 3.121 6.676 5.329 1.00 0.00 C ATOM 1048 CG ASN A 774 3.131 6.560 6.841 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.098 6.707 7.493 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.304 6.296 7.405 1.00 0.00 N ATOM 0 H ASN A 774 2.168 4.379 5.187 1.00 0.00 H new ATOM 0 HA ASN A 774 0.974 6.776 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.852 5.985 4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.431 7.681 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.374 6.207 8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.135 6.182 6.824 1.00 0.00 H new ATOM 1057 N GLU A 775 2.202 6.456 2.350 1.00 0.00 N ATOM 1058 CA GLU A 775 2.148 7.006 1.001 1.00 0.00 C ATOM 1059 C GLU A 775 0.735 6.913 0.431 1.00 0.00 C ATOM 1060 O GLU A 775 0.139 7.921 0.053 1.00 0.00 O ATOM 1061 CB GLU A 775 3.128 6.269 0.086 1.00 0.00 C ATOM 1062 CG GLU A 775 2.961 6.609 -1.385 1.00 0.00 C ATOM 1063 CD GLU A 775 1.980 5.691 -2.088 1.00 0.00 C ATOM 1064 OE1 GLU A 775 2.302 4.497 -2.260 1.00 0.00 O ATOM 1065 OE2 GLU A 775 0.889 6.167 -2.466 1.00 0.00 O ATOM 0 H GLU A 775 2.725 5.584 2.430 1.00 0.00 H new ATOM 0 HA GLU A 775 2.431 8.057 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 775 4.147 6.507 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.998 5.195 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 775 2.620 7.640 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 775 3.930 6.547 -1.881 1.00 0.00 H new ATOM 1072 N PHE A 776 0.207 5.695 0.373 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.135 5.468 -0.152 1.00 0.00 C ATOM 1074 C PHE A 776 -2.113 6.507 0.389 1.00 0.00 C ATOM 1075 O PHE A 776 -2.830 7.157 -0.372 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.616 4.061 0.209 1.00 0.00 C ATOM 1077 CG PHE A 776 -2.993 3.749 -0.303 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.101 4.407 0.205 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.179 2.797 -1.293 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.369 4.120 -0.264 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.444 2.507 -1.766 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.541 3.170 -1.251 1.00 0.00 C ATOM 0 H PHE A 776 0.687 4.850 0.683 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.095 5.563 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -0.913 3.331 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.606 3.949 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -3.973 5.152 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.325 2.276 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.225 4.639 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.575 1.763 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.531 2.946 -1.620 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.137 6.657 1.710 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.026 7.616 2.354 1.00 0.00 C ATOM 1094 C VAL A 777 -2.619 9.048 2.028 1.00 0.00 C ATOM 1095 O VAL A 777 -3.464 9.936 1.925 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.037 7.432 3.883 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.480 6.024 4.249 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.664 7.735 4.465 1.00 0.00 C ATOM 0 H VAL A 777 -1.551 6.126 2.354 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.027 7.429 1.966 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.752 8.135 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.481 5.913 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.485 5.847 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.792 5.301 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.689 7.600 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.928 7.058 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.390 8.764 4.234 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.318 9.265 1.867 1.00 0.00 N ATOM 1109 CA ALA A 778 -0.798 10.589 1.549 1.00 0.00 C ATOM 1110 C ALA A 778 -1.444 11.145 0.285 1.00 0.00 C ATOM 1111 O ALA A 778 -1.720 12.340 0.192 1.00 0.00 O ATOM 1112 CB ALA A 778 0.715 10.539 1.393 1.00 0.00 C ATOM 0 H ALA A 778 -0.605 8.541 1.952 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.045 11.256 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 778 1.089 11.535 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 778 1.166 10.194 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.975 9.852 0.588 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.683 10.269 -0.686 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.298 10.672 -1.944 1.00 0.00 C ATOM 1120 C ALA A 779 -3.819 10.611 -1.856 1.00 0.00 C ATOM 1121 O ALA A 779 -4.515 11.502 -2.341 1.00 0.00 O ATOM 1122 CB ALA A 779 -1.798 9.794 -3.081 1.00 0.00 C ATOM 0 H ALA A 779 -1.460 9.276 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.013 11.705 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.266 10.106 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.716 9.891 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.054 8.754 -2.877 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.329 9.553 -1.234 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.768 9.376 -1.081 1.00 0.00 C ATOM 1130 C ALA A 780 -6.392 10.561 -0.351 1.00 0.00 C ATOM 1131 O ALA A 780 -7.356 11.159 -0.829 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.065 8.081 -0.340 1.00 0.00 C ATOM 0 H ALA A 780 -3.767 8.805 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.210 9.322 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.143 7.962 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.661 7.239 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.604 8.113 0.647 1.00 0.00 H new ATOM 1138 N ARG A 781 -5.837 10.893 0.810 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.340 12.005 1.607 1.00 0.00 C ATOM 1140 C ARG A 781 -6.820 13.143 0.711 1.00 0.00 C ATOM 1141 O ARG A 781 -7.910 13.683 0.904 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.254 12.513 2.557 1.00 0.00 C ATOM 1143 CG ARG A 781 -3.988 12.966 1.848 1.00 0.00 C ATOM 1144 CD ARG A 781 -2.832 13.130 2.822 1.00 0.00 C ATOM 1145 NE ARG A 781 -2.981 14.324 3.651 1.00 0.00 N ATOM 1146 CZ ARG A 781 -2.409 14.468 4.841 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -1.654 13.499 5.339 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -2.592 15.584 5.535 1.00 0.00 N ATOM 0 H ARG A 781 -5.039 10.408 1.220 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.186 11.645 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -5.652 13.344 3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -5.002 11.722 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -3.719 12.239 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.173 13.912 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -2.769 12.250 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -1.896 13.188 2.267 1.00 0.00 H new ATOM 0 HE ARG A 781 -3.556 15.089 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -1.511 12.640 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -1.216 13.612 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -3.172 16.332 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -2.153 15.694 6.449 1.00 0.00 H new