USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 25 ASN : amide:sc= -0.0108 K(o=0.0021,f=-9.7!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 166:sc= 0.0129 (180deg=-0.125) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.728 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.638 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.988 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= -6.26! (180deg=-12.4!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.03 X(o=-1,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= -4.39 K(o=-4.4,f=-9.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.945 K(o=-0.94,f=-2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= -1.16 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.375 (180deg=-1.04) USER MOD Single : A 65 SER OG : rot -120:sc= -0.0963 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.150 -8.426 7.082 1.00 0.00 N ATOM 327 CA GLN A 2 -1.857 -7.766 7.225 1.00 0.00 C ATOM 328 C GLN A 2 -1.415 -7.152 5.901 1.00 0.00 C ATOM 329 O GLN A 2 -0.680 -7.772 5.133 1.00 0.00 O ATOM 330 CB GLN A 2 -0.805 -8.761 7.718 1.00 0.00 C ATOM 331 CG GLN A 2 -0.700 -10.011 6.861 1.00 0.00 C ATOM 332 CD GLN A 2 -1.372 -11.212 7.497 1.00 0.00 C ATOM 333 OE1 GLN A 2 -2.452 -11.628 7.076 1.00 0.00 O ATOM 334 NE2 GLN A 2 -0.736 -11.776 8.517 1.00 0.00 N ATOM 0 HA GLN A 2 -1.961 -6.967 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.166 -8.267 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.043 -9.051 8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.152 -9.819 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.351 -10.239 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.157 -11.398 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.141 -12.587 8.985 1.00 0.00 H new ATOM 343 N ILE A 3 -1.865 -5.930 5.642 1.00 0.00 N ATOM 344 CA ILE A 3 -1.516 -5.231 4.411 1.00 0.00 C ATOM 345 C ILE A 3 -0.269 -4.378 4.603 1.00 0.00 C ATOM 346 O ILE A 3 -0.049 -3.821 5.677 1.00 0.00 O ATOM 347 CB ILE A 3 -2.669 -4.331 3.928 1.00 0.00 C ATOM 348 CG1 ILE A 3 -3.064 -3.340 5.025 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.864 -5.176 3.513 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.539 -2.011 4.496 1.00 0.00 C ATOM 0 H ILE A 3 -2.473 -5.402 6.268 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.322 -5.994 3.657 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.331 -3.767 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.852 -3.781 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.208 -3.176 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.670 -4.525 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.573 -5.845 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.206 -5.765 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.802 -1.360 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.745 -1.548 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.414 -2.163 3.865 1.00 0.00 H new ATOM 362 N PHE A 4 0.549 -4.282 3.561 1.00 0.00 N ATOM 363 CA PHE A 4 1.773 -3.496 3.630 1.00 0.00 C ATOM 364 C PHE A 4 1.571 -2.108 3.033 1.00 0.00 C ATOM 365 O PHE A 4 1.413 -1.956 1.821 1.00 0.00 O ATOM 366 CB PHE A 4 2.917 -4.224 2.918 1.00 0.00 C ATOM 367 CG PHE A 4 3.944 -4.767 3.870 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.605 -3.919 4.740 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.235 -6.121 3.907 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.540 -4.407 5.633 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.168 -6.617 4.798 1.00 0.00 C ATOM 372 CZ PHE A 4 5.821 -5.759 5.664 1.00 0.00 C ATOM 0 H PHE A 4 0.387 -4.737 2.663 1.00 0.00 H new ATOM 0 HA PHE A 4 2.036 -3.374 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.508 -5.043 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.400 -3.538 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.388 -2.861 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.728 -6.796 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.050 -3.733 6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.387 -7.674 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.549 -6.145 6.363 1.00 0.00 H new ATOM 382 N VAL A 5 1.581 -1.096 3.894 1.00 0.00 N ATOM 383 CA VAL A 5 1.404 0.282 3.456 1.00 0.00 C ATOM 384 C VAL A 5 2.734 0.887 3.023 1.00 0.00 C ATOM 385 O VAL A 5 3.616 1.129 3.849 1.00 0.00 O ATOM 386 CB VAL A 5 0.792 1.154 4.571 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.479 2.549 4.049 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.459 0.497 5.137 1.00 0.00 C ATOM 0 H VAL A 5 1.710 -1.205 4.900 1.00 0.00 H new ATOM 0 HA VAL A 5 0.719 0.263 2.608 1.00 0.00 H new ATOM 0 HB VAL A 5 1.522 1.247 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.048 3.149 4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.397 3.020 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.232 2.478 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.877 1.127 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.195 0.371 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.202 -0.478 5.552 1.00 0.00 H new ATOM 398 N LYS A 6 2.872 1.126 1.722 1.00 0.00 N ATOM 399 CA LYS A 6 4.095 1.701 1.173 1.00 0.00 C ATOM 400 C LYS A 6 3.947 3.205 0.972 1.00 0.00 C ATOM 401 O LYS A 6 2.935 3.675 0.454 1.00 0.00 O ATOM 402 CB LYS A 6 4.445 1.029 -0.156 1.00 0.00 C ATOM 403 CG LYS A 6 5.924 1.099 -0.502 1.00 0.00 C ATOM 404 CD LYS A 6 6.141 1.185 -2.004 1.00 0.00 C ATOM 405 CE LYS A 6 7.310 2.094 -2.347 1.00 0.00 C ATOM 406 NZ LYS A 6 7.270 2.539 -3.766 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.151 0.930 1.028 1.00 0.00 H new ATOM 0 HA LYS A 6 4.901 1.526 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.139 -0.016 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.871 1.500 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.371 1.967 -0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.433 0.218 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.325 0.188 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.236 1.558 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.296 2.966 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.246 1.568 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.084 3.157 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.309 1.709 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.389 3.063 -3.941 1.00 0.00 H new ATOM 420 N THR A 7 4.964 3.956 1.383 1.00 0.00 N ATOM 421 CA THR A 7 4.945 5.409 1.245 1.00 0.00 C ATOM 422 C THR A 7 5.778 5.852 0.047 1.00 0.00 C ATOM 423 O THR A 7 6.596 5.090 -0.469 1.00 0.00 O ATOM 424 CB THR A 7 5.466 6.077 2.520 1.00 0.00 C ATOM 425 OG1 THR A 7 6.882 6.057 2.553 1.00 0.00 O ATOM 426 CG2 THR A 7 4.968 5.420 3.790 1.00 0.00 C ATOM 0 H THR A 7 5.810 3.584 1.814 1.00 0.00 H new ATOM 0 HA THR A 7 3.912 5.717 1.082 1.00 0.00 H new ATOM 0 HB THR A 7 5.085 7.098 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.221 6.975 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.376 5.944 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.879 5.464 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.290 4.379 3.811 1.00 0.00 H new ATOM 434 N LEU A 8 5.564 7.088 -0.391 1.00 0.00 N ATOM 435 CA LEU A 8 6.295 7.634 -1.530 1.00 0.00 C ATOM 436 C LEU A 8 7.797 7.636 -1.262 1.00 0.00 C ATOM 437 O LEU A 8 8.594 7.295 -2.134 1.00 0.00 O ATOM 438 CB LEU A 8 5.810 9.056 -1.838 1.00 0.00 C ATOM 439 CG LEU A 8 6.624 9.832 -2.877 1.00 0.00 C ATOM 440 CD1 LEU A 8 7.828 10.462 -2.224 1.00 0.00 C ATOM 441 CD2 LEU A 8 7.076 8.937 -4.017 1.00 0.00 C ATOM 0 H LEU A 8 4.890 7.731 0.025 1.00 0.00 H new ATOM 0 HA LEU A 8 6.103 6.999 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.777 9.000 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.806 9.626 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 8 5.979 10.607 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.401 11.012 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.501 11.146 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.454 9.684 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.651 9.523 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.699 8.133 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.204 8.511 -4.513 1.00 0.00 H new ATOM 453 N THR A 9 8.175 8.024 -0.048 1.00 0.00 N ATOM 454 CA THR A 9 9.582 8.071 0.336 1.00 0.00 C ATOM 455 C THR A 9 10.227 6.695 0.210 1.00 0.00 C ATOM 456 O THR A 9 11.425 6.582 -0.052 1.00 0.00 O ATOM 457 CB THR A 9 9.724 8.584 1.770 1.00 0.00 C ATOM 458 OG1 THR A 9 8.979 7.779 2.667 1.00 0.00 O ATOM 459 CG2 THR A 9 9.261 10.014 1.942 1.00 0.00 C ATOM 0 H THR A 9 7.527 8.310 0.686 1.00 0.00 H new ATOM 0 HA THR A 9 10.094 8.756 -0.340 1.00 0.00 H new ATOM 0 HB THR A 9 10.790 8.536 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.084 8.122 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.389 10.315 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.851 10.667 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.209 10.091 1.669 1.00 0.00 H new ATOM 467 N GLY A 10 9.427 5.651 0.397 1.00 0.00 N ATOM 468 CA GLY A 10 9.938 4.296 0.300 1.00 0.00 C ATOM 469 C GLY A 10 9.924 3.574 1.633 1.00 0.00 C ATOM 470 O GLY A 10 10.976 3.232 2.173 1.00 0.00 O ATOM 0 H GLY A 10 8.433 5.719 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.340 3.736 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.957 4.322 -0.085 1.00 0.00 H new ATOM 474 N LYS A 11 8.728 3.343 2.165 1.00 0.00 N ATOM 475 CA LYS A 11 8.581 2.659 3.444 1.00 0.00 C ATOM 476 C LYS A 11 7.320 1.801 3.462 1.00 0.00 C ATOM 477 O LYS A 11 6.204 2.320 3.449 1.00 0.00 O ATOM 478 CB LYS A 11 8.534 3.672 4.588 1.00 0.00 C ATOM 479 CG LYS A 11 8.418 3.031 5.962 1.00 0.00 C ATOM 480 CD LYS A 11 9.758 2.545 6.470 1.00 0.00 C ATOM 481 CE LYS A 11 9.742 1.052 6.760 1.00 0.00 C ATOM 482 NZ LYS A 11 11.085 0.436 6.579 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.848 3.619 1.730 1.00 0.00 H new ATOM 0 HA LYS A 11 9.445 2.009 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.435 4.285 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.687 4.341 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.002 3.752 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.722 2.194 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.529 2.764 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.022 3.089 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.401 0.884 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.026 0.562 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.031 -0.582 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.400 0.573 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.763 0.886 7.227 1.00 0.00 H new ATOM 496 N THR A 12 7.509 0.487 3.499 1.00 0.00 N ATOM 497 CA THR A 12 6.390 -0.449 3.524 1.00 0.00 C ATOM 498 C THR A 12 6.279 -1.111 4.894 1.00 0.00 C ATOM 499 O THR A 12 7.173 -1.847 5.309 1.00 0.00 O ATOM 500 CB THR A 12 6.563 -1.514 2.441 1.00 0.00 C ATOM 501 OG1 THR A 12 7.431 -1.055 1.420 1.00 0.00 O ATOM 502 CG2 THR A 12 5.261 -1.922 1.788 1.00 0.00 C ATOM 0 H THR A 12 8.428 0.045 3.512 1.00 0.00 H new ATOM 0 HA THR A 12 5.473 0.107 3.328 1.00 0.00 H new ATOM 0 HB THR A 12 6.980 -2.381 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.530 -1.751 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.456 -2.680 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.587 -2.328 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.800 -1.052 1.321 1.00 0.00 H new ATOM 510 N ILE A 13 5.181 -0.842 5.596 1.00 0.00 N ATOM 511 CA ILE A 13 4.975 -1.416 6.922 1.00 0.00 C ATOM 512 C ILE A 13 3.750 -2.325 6.968 1.00 0.00 C ATOM 513 O ILE A 13 2.718 -2.027 6.367 1.00 0.00 O ATOM 514 CB ILE A 13 4.816 -0.325 7.997 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.086 0.494 8.119 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.485 -0.955 9.327 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.278 -0.330 8.503 1.00 0.00 C ATOM 0 H ILE A 13 4.427 -0.236 5.272 1.00 0.00 H new ATOM 0 HA ILE A 13 5.867 -2.006 7.132 1.00 0.00 H new ATOM 0 HB ILE A 13 4.002 0.336 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.285 0.990 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.937 1.277 8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.374 -0.176 10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.553 -1.514 9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.288 -1.631 9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.156 0.312 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.096 -0.805 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.449 -1.096 7.747 1.00 0.00 H new ATOM 529 N THR A 14 3.875 -3.431 7.697 1.00 0.00 N ATOM 530 CA THR A 14 2.780 -4.380 7.838 1.00 0.00 C ATOM 531 C THR A 14 1.737 -3.836 8.805 1.00 0.00 C ATOM 532 O THR A 14 1.985 -3.723 10.006 1.00 0.00 O ATOM 533 CB THR A 14 3.296 -5.732 8.333 1.00 0.00 C ATOM 534 OG1 THR A 14 4.695 -5.839 8.138 1.00 0.00 O ATOM 535 CG2 THR A 14 2.643 -6.909 7.641 1.00 0.00 C ATOM 0 H THR A 14 4.725 -3.690 8.198 1.00 0.00 H new ATOM 0 HA THR A 14 2.321 -4.522 6.860 1.00 0.00 H new ATOM 0 HB THR A 14 3.044 -5.767 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.912 -5.630 7.205 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.053 -7.838 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.567 -6.883 7.816 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.837 -6.855 6.570 1.00 0.00 H new ATOM 543 N LEU A 15 0.575 -3.492 8.271 1.00 0.00 N ATOM 544 CA LEU A 15 -0.504 -2.947 9.079 1.00 0.00 C ATOM 545 C LEU A 15 -1.787 -3.748 8.879 1.00 0.00 C ATOM 546 O LEU A 15 -2.227 -3.967 7.749 1.00 0.00 O ATOM 547 CB LEU A 15 -0.722 -1.476 8.718 1.00 0.00 C ATOM 548 CG LEU A 15 -1.434 -0.636 9.778 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.763 -1.264 10.154 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.553 -0.470 11.007 1.00 0.00 C ATOM 0 H LEU A 15 0.355 -3.581 7.279 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.229 -3.017 10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.248 -1.023 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.299 -1.428 7.794 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.629 0.351 9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.254 -0.651 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.398 -1.329 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.593 -2.264 10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.076 0.131 11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.325 -1.450 11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.375 0.028 10.725 1.00 0.00 H new ATOM 562 N GLU A 16 -2.377 -4.190 9.984 1.00 0.00 N ATOM 563 CA GLU A 16 -3.605 -4.975 9.936 1.00 0.00 C ATOM 564 C GLU A 16 -4.832 -4.070 9.888 1.00 0.00 C ATOM 565 O GLU A 16 -4.970 -3.150 10.693 1.00 0.00 O ATOM 566 CB GLU A 16 -3.690 -5.903 11.148 1.00 0.00 C ATOM 567 CG GLU A 16 -4.747 -6.980 11.017 1.00 0.00 C ATOM 568 CD GLU A 16 -4.346 -8.080 10.055 1.00 0.00 C ATOM 569 OE1 GLU A 16 -3.140 -8.191 9.747 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -5.238 -8.833 9.609 1.00 0.00 O ATOM 0 H GLU A 16 -2.024 -4.018 10.925 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.585 -5.576 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.720 -6.375 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.899 -5.307 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.941 -7.414 11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.679 -6.529 10.678 1.00 0.00 H new ATOM 577 N VAL A 17 -5.722 -4.343 8.940 1.00 0.00 N ATOM 578 CA VAL A 17 -6.941 -3.560 8.785 1.00 0.00 C ATOM 579 C VAL A 17 -8.059 -4.403 8.183 1.00 0.00 C ATOM 580 O VAL A 17 -7.938 -4.907 7.067 1.00 0.00 O ATOM 581 CB VAL A 17 -6.708 -2.327 7.892 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.942 -1.254 8.650 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.973 -2.720 6.620 1.00 0.00 C ATOM 0 H VAL A 17 -5.621 -5.102 8.266 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.233 -3.227 9.781 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.678 -1.917 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.787 -0.391 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.513 -0.951 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.976 -1.650 8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.817 -1.836 6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.008 -3.157 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.566 -3.449 6.068 1.00 0.00 H new ATOM 593 N GLU A 18 -9.147 -4.554 8.930 1.00 0.00 N ATOM 594 CA GLU A 18 -10.287 -5.338 8.470 1.00 0.00 C ATOM 595 C GLU A 18 -10.858 -4.761 7.175 1.00 0.00 C ATOM 596 O GLU A 18 -10.968 -3.543 7.027 1.00 0.00 O ATOM 597 CB GLU A 18 -11.373 -5.378 9.547 1.00 0.00 C ATOM 598 CG GLU A 18 -10.841 -5.689 10.935 1.00 0.00 C ATOM 599 CD GLU A 18 -11.793 -6.547 11.746 1.00 0.00 C ATOM 600 OE1 GLU A 18 -11.842 -7.771 11.503 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -12.489 -5.995 12.624 1.00 0.00 O ATOM 0 H GLU A 18 -9.264 -4.144 9.857 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.943 -6.353 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.885 -4.416 9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.115 -6.128 9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.883 -6.201 10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.656 -4.756 11.467 1.00 0.00 H new ATOM 608 N PRO A 19 -11.231 -5.627 6.215 1.00 0.00 N ATOM 609 CA PRO A 19 -11.790 -5.187 4.933 1.00 0.00 C ATOM 610 C PRO A 19 -13.003 -4.278 5.112 1.00 0.00 C ATOM 611 O PRO A 19 -13.304 -3.453 4.251 1.00 0.00 O ATOM 612 CB PRO A 19 -12.202 -6.495 4.250 1.00 0.00 C ATOM 613 CG PRO A 19 -11.352 -7.541 4.882 1.00 0.00 C ATOM 614 CD PRO A 19 -11.136 -7.097 6.302 1.00 0.00 C ATOM 0 HA PRO A 19 -11.073 -4.600 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.261 -6.703 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.036 -6.448 3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.841 -8.514 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.403 -7.643 4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.890 -7.510 6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.165 -7.416 6.680 1.00 0.00 H new ATOM 622 N SER A 20 -13.694 -4.436 6.236 1.00 0.00 N ATOM 623 CA SER A 20 -14.875 -3.631 6.527 1.00 0.00 C ATOM 624 C SER A 20 -14.520 -2.442 7.415 1.00 0.00 C ATOM 625 O SER A 20 -15.270 -2.088 8.325 1.00 0.00 O ATOM 626 CB SER A 20 -15.947 -4.486 7.204 1.00 0.00 C ATOM 627 OG SER A 20 -17.244 -4.123 6.763 1.00 0.00 O ATOM 0 H SER A 20 -13.457 -5.114 6.960 1.00 0.00 H new ATOM 0 HA SER A 20 -15.266 -3.251 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.767 -5.539 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.881 -4.368 8.286 1.00 0.00 H new ATOM 0 HG SER A 20 -17.911 -4.685 7.210 1.00 0.00 H new ATOM 633 N ASP A 21 -13.373 -1.827 7.144 1.00 0.00 N ATOM 634 CA ASP A 21 -12.921 -0.677 7.917 1.00 0.00 C ATOM 635 C ASP A 21 -12.536 0.478 6.998 1.00 0.00 C ATOM 636 O ASP A 21 -11.751 0.307 6.066 1.00 0.00 O ATOM 637 CB ASP A 21 -11.730 -1.062 8.797 1.00 0.00 C ATOM 638 CG ASP A 21 -12.146 -1.868 10.012 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.346 -1.850 10.356 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.270 -2.519 10.621 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.740 -2.106 6.395 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.744 -0.353 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.018 -1.640 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.215 -0.158 9.123 1.00 0.00 H new ATOM 645 N THR A 22 -13.094 1.654 7.268 1.00 0.00 N ATOM 646 CA THR A 22 -12.809 2.836 6.464 1.00 0.00 C ATOM 647 C THR A 22 -11.320 3.168 6.492 1.00 0.00 C ATOM 648 O THR A 22 -10.547 2.533 7.210 1.00 0.00 O ATOM 649 CB THR A 22 -13.619 4.031 6.972 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.547 4.121 8.384 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.082 3.968 6.590 1.00 0.00 C ATOM 0 H THR A 22 -13.745 1.813 8.037 1.00 0.00 H new ATOM 0 HA THR A 22 -13.096 2.622 5.434 1.00 0.00 H new ATOM 0 HB THR A 22 -13.174 4.905 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.069 4.892 8.690 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.598 4.845 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.174 3.947 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.529 3.067 7.009 1.00 0.00 H new ATOM 659 N ILE A 23 -10.926 4.165 5.708 1.00 0.00 N ATOM 660 CA ILE A 23 -9.530 4.580 5.643 1.00 0.00 C ATOM 661 C ILE A 23 -9.075 5.185 6.966 1.00 0.00 C ATOM 662 O ILE A 23 -7.908 5.074 7.343 1.00 0.00 O ATOM 663 CB ILE A 23 -9.299 5.606 4.515 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.864 5.078 3.195 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.816 5.920 4.375 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.283 3.746 2.777 1.00 0.00 C ATOM 0 H ILE A 23 -11.554 4.701 5.109 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.944 3.685 5.435 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.821 6.528 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.946 4.981 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.675 5.810 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.672 6.646 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.442 6.334 5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.271 5.006 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.730 3.434 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.204 3.842 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.495 3.000 3.543 1.00 0.00 H new ATOM 678 N GLU A 24 -10.003 5.827 7.668 1.00 0.00 N ATOM 679 CA GLU A 24 -9.695 6.453 8.949 1.00 0.00 C ATOM 680 C GLU A 24 -9.186 5.425 9.954 1.00 0.00 C ATOM 681 O GLU A 24 -8.259 5.699 10.713 1.00 0.00 O ATOM 682 CB GLU A 24 -10.931 7.162 9.506 1.00 0.00 C ATOM 683 CG GLU A 24 -10.612 8.452 10.243 1.00 0.00 C ATOM 684 CD GLU A 24 -11.624 8.770 11.325 1.00 0.00 C ATOM 685 OE1 GLU A 24 -12.189 7.820 11.908 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -11.853 9.969 11.591 1.00 0.00 O ATOM 0 H GLU A 24 -10.974 5.927 7.372 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.908 7.188 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.614 7.382 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.453 6.486 10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.620 8.376 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.578 9.275 9.529 1.00 0.00 H new ATOM 693 N ASN A 25 -9.794 4.242 9.954 1.00 0.00 N ATOM 694 CA ASN A 25 -9.392 3.175 10.868 1.00 0.00 C ATOM 695 C ASN A 25 -7.978 2.702 10.547 1.00 0.00 C ATOM 696 O ASN A 25 -7.226 2.289 11.433 1.00 0.00 O ATOM 697 CB ASN A 25 -10.371 2.002 10.780 1.00 0.00 C ATOM 698 CG ASN A 25 -10.038 0.896 11.762 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.462 -0.127 11.392 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.400 1.097 13.024 1.00 0.00 N ATOM 0 H ASN A 25 -10.565 3.997 9.333 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.406 3.569 11.884 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.382 2.361 10.971 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.362 1.600 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.202 0.388 13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.876 1.960 13.287 1.00 0.00 H new ATOM 707 N VAL A 26 -7.621 2.776 9.273 1.00 0.00 N ATOM 708 CA VAL A 26 -6.298 2.370 8.819 1.00 0.00 C ATOM 709 C VAL A 26 -5.283 3.437 9.179 1.00 0.00 C ATOM 710 O VAL A 26 -4.324 3.175 9.904 1.00 0.00 O ATOM 711 CB VAL A 26 -6.285 2.121 7.303 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.100 1.251 6.907 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.598 1.482 6.878 1.00 0.00 C ATOM 0 H VAL A 26 -8.233 3.116 8.531 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.036 1.436 9.317 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.177 3.076 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.112 1.088 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.172 1.750 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.166 0.291 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.586 1.307 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.726 0.533 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.424 2.148 7.128 1.00 0.00 H new ATOM 723 N LYS A 27 -5.527 4.661 8.715 1.00 0.00 N ATOM 724 CA LYS A 27 -4.652 5.774 9.050 1.00 0.00 C ATOM 725 C LYS A 27 -4.593 5.901 10.566 1.00 0.00 C ATOM 726 O LYS A 27 -3.631 6.416 11.131 1.00 0.00 O ATOM 727 CB LYS A 27 -5.165 7.072 8.425 1.00 0.00 C ATOM 728 CG LYS A 27 -5.321 6.995 6.916 1.00 0.00 C ATOM 729 CD LYS A 27 -4.007 6.638 6.241 1.00 0.00 C ATOM 730 CE LYS A 27 -4.193 5.562 5.185 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.137 4.192 5.768 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.315 4.902 8.113 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.654 5.588 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.127 7.325 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.478 7.881 8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.076 6.250 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.679 7.952 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.580 7.529 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.295 6.293 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.152 5.705 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.420 5.664 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.225 3.751 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.235 4.250 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.911 3.617 5.378 1.00 0.00 H new ATOM 745 N ALA A 28 -5.640 5.388 11.209 1.00 0.00 N ATOM 746 CA ALA A 28 -5.747 5.385 12.653 1.00 0.00 C ATOM 747 C ALA A 28 -4.644 4.521 13.248 1.00 0.00 C ATOM 748 O ALA A 28 -3.792 5.002 13.996 1.00 0.00 O ATOM 749 CB ALA A 28 -7.114 4.854 13.052 1.00 0.00 C ATOM 0 H ALA A 28 -6.437 4.963 10.735 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.635 6.400 13.034 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.200 4.850 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.890 5.492 12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.234 3.839 12.675 1.00 0.00 H new ATOM 755 N LYS A 29 -4.660 3.239 12.889 1.00 0.00 N ATOM 756 CA LYS A 29 -3.652 2.304 13.365 1.00 0.00 C ATOM 757 C LYS A 29 -2.267 2.753 12.914 1.00 0.00 C ATOM 758 O LYS A 29 -1.307 2.714 13.683 1.00 0.00 O ATOM 759 CB LYS A 29 -3.943 0.896 12.845 1.00 0.00 C ATOM 760 CG LYS A 29 -5.292 0.350 13.287 1.00 0.00 C ATOM 761 CD LYS A 29 -5.496 -1.080 12.815 1.00 0.00 C ATOM 762 CE LYS A 29 -6.931 -1.322 12.376 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.908 -0.941 13.433 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.360 2.828 12.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.681 2.286 14.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.903 0.905 11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.158 0.222 13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.363 0.389 14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.088 0.981 12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.820 -1.291 11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.239 -1.770 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.135 -0.750 11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.061 -2.375 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.862 -0.894 13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.892 -1.651 14.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.652 -0.011 13.823 1.00 0.00 H new ATOM 777 N ILE A 30 -2.178 3.196 11.662 1.00 0.00 N ATOM 778 CA ILE A 30 -0.917 3.674 11.110 1.00 0.00 C ATOM 779 C ILE A 30 -0.445 4.914 11.865 1.00 0.00 C ATOM 780 O ILE A 30 0.754 5.178 11.960 1.00 0.00 O ATOM 781 CB ILE A 30 -1.043 4.004 9.605 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.430 2.751 8.819 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.262 4.583 9.071 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.617 2.999 7.338 1.00 0.00 C ATOM 0 H ILE A 30 -2.964 3.233 11.013 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.186 2.874 11.225 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.826 4.752 9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.659 1.993 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.354 2.345 9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.153 4.809 8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.503 5.497 9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.064 3.858 9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.890 2.066 6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.408 3.734 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.687 3.376 6.912 1.00 0.00 H new ATOM 796 N GLN A 31 -1.401 5.665 12.402 1.00 0.00 N ATOM 797 CA GLN A 31 -1.095 6.875 13.154 1.00 0.00 C ATOM 798 C GLN A 31 -0.523 6.524 14.523 1.00 0.00 C ATOM 799 O GLN A 31 0.390 7.183 15.014 1.00 0.00 O ATOM 800 CB GLN A 31 -2.356 7.730 13.313 1.00 0.00 C ATOM 801 CG GLN A 31 -2.150 8.971 14.168 1.00 0.00 C ATOM 802 CD GLN A 31 -3.174 9.091 15.281 1.00 0.00 C ATOM 803 OE1 GLN A 31 -4.377 8.987 15.046 1.00 0.00 O ATOM 804 NE2 GLN A 31 -2.698 9.313 16.500 1.00 0.00 N ATOM 0 H GLN A 31 -2.397 5.455 12.330 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.348 7.446 12.603 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.705 8.034 12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.144 7.121 13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.150 8.947 14.601 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.202 9.857 13.535 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.692 9.392 16.648 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.338 9.404 17.289 1.00 0.00 H new ATOM 813 N ASP A 32 -1.067 5.476 15.132 1.00 0.00 N ATOM 814 CA ASP A 32 -0.610 5.034 16.445 1.00 0.00 C ATOM 815 C ASP A 32 0.613 4.123 16.327 1.00 0.00 C ATOM 816 O ASP A 32 1.295 3.859 17.318 1.00 0.00 O ATOM 817 CB ASP A 32 -1.734 4.301 17.178 1.00 0.00 C ATOM 818 CG ASP A 32 -1.735 4.587 18.667 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.566 5.765 19.046 1.00 0.00 O ATOM 820 OD2 ASP A 32 -1.905 3.633 19.455 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.824 4.917 14.738 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.325 5.918 17.015 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.694 4.596 16.753 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.630 3.228 17.017 1.00 0.00 H new ATOM 825 N LYS A 33 0.885 3.642 15.116 1.00 0.00 N ATOM 826 CA LYS A 33 2.022 2.759 14.884 1.00 0.00 C ATOM 827 C LYS A 33 3.229 3.535 14.361 1.00 0.00 C ATOM 828 O LYS A 33 4.374 3.141 14.585 1.00 0.00 O ATOM 829 CB LYS A 33 1.643 1.657 13.890 1.00 0.00 C ATOM 830 CG LYS A 33 1.294 0.334 14.553 1.00 0.00 C ATOM 831 CD LYS A 33 1.816 -0.845 13.753 1.00 0.00 C ATOM 832 CE LYS A 33 3.118 -1.378 14.326 1.00 0.00 C ATOM 833 NZ LYS A 33 4.278 -0.516 13.966 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.334 3.849 14.283 1.00 0.00 H new ATOM 0 HA LYS A 33 2.294 2.307 15.838 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.793 1.992 13.296 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.472 1.501 13.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.715 0.308 15.558 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.212 0.253 14.658 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.069 -1.639 13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.971 -0.543 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.037 -1.443 15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.289 -2.390 13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.147 -0.914 14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.371 -0.474 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.127 0.443 14.339 1.00 0.00 H new ATOM 847 N GLU A 34 2.968 4.635 13.660 1.00 0.00 N ATOM 848 CA GLU A 34 4.040 5.454 13.104 1.00 0.00 C ATOM 849 C GLU A 34 4.028 6.862 13.692 1.00 0.00 C ATOM 850 O GLU A 34 5.081 7.454 13.930 1.00 0.00 O ATOM 851 CB GLU A 34 3.915 5.525 11.579 1.00 0.00 C ATOM 852 CG GLU A 34 4.743 4.479 10.853 1.00 0.00 C ATOM 853 CD GLU A 34 6.048 5.036 10.318 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.931 5.368 11.135 1.00 0.00 O ATOM 855 OE2 GLU A 34 6.186 5.141 9.080 1.00 0.00 O1- ATOM 0 H GLU A 34 2.028 4.978 13.464 1.00 0.00 H new ATOM 0 HA GLU A 34 4.988 4.985 13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.868 5.404 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.221 6.516 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.956 3.654 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.161 4.070 10.027 1.00 0.00 H new ATOM 862 N GLY A 35 2.833 7.397 13.921 1.00 0.00 N ATOM 863 CA GLY A 35 2.714 8.734 14.476 1.00 0.00 C ATOM 864 C GLY A 35 2.361 9.764 13.421 1.00 0.00 C ATOM 865 O GLY A 35 2.733 10.932 13.534 1.00 0.00 O ATOM 0 H GLY A 35 1.946 6.930 13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.950 8.736 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.654 9.012 14.953 1.00 0.00 H new ATOM 869 N ILE A 36 1.644 9.328 12.390 1.00 0.00 N ATOM 870 CA ILE A 36 1.241 10.216 11.307 1.00 0.00 C ATOM 871 C ILE A 36 -0.275 10.412 11.288 1.00 0.00 C ATOM 872 O ILE A 36 -1.022 9.480 10.987 1.00 0.00 O ATOM 873 CB ILE A 36 1.691 9.664 9.940 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.170 9.279 9.984 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.435 10.686 8.843 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.628 8.501 8.770 1.00 0.00 C ATOM 0 H ILE A 36 1.330 8.363 12.282 1.00 0.00 H new ATOM 0 HA ILE A 36 1.725 11.176 11.486 1.00 0.00 H new ATOM 0 HB ILE A 36 1.109 8.770 9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.770 10.184 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.356 8.684 10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.759 10.280 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.370 10.914 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.993 11.598 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.687 8.262 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.053 7.578 8.691 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.474 9.102 7.874 1.00 0.00 H new ATOM 888 N PRO A 37 -0.754 11.629 11.610 1.00 0.00 N ATOM 889 CA PRO A 37 -2.190 11.929 11.626 1.00 0.00 C ATOM 890 C PRO A 37 -2.883 11.524 10.326 1.00 0.00 C ATOM 891 O PRO A 37 -2.258 11.487 9.266 1.00 0.00 O ATOM 892 CB PRO A 37 -2.233 13.448 11.804 1.00 0.00 C ATOM 893 CG PRO A 37 -0.959 13.782 12.497 1.00 0.00 C ATOM 894 CD PRO A 37 0.060 12.802 11.984 1.00 0.00 C ATOM 0 HA PRO A 37 -2.712 11.379 12.409 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.307 13.958 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.097 13.754 12.394 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.656 14.807 12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.070 13.700 13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.607 13.201 11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.798 12.553 12.747 1.00 0.00 H new ATOM 902 N PRO A 38 -4.189 11.210 10.391 1.00 0.00 N ATOM 903 CA PRO A 38 -4.964 10.803 9.214 1.00 0.00 C ATOM 904 C PRO A 38 -4.885 11.823 8.082 1.00 0.00 C ATOM 905 O PRO A 38 -4.630 11.468 6.932 1.00 0.00 O ATOM 906 CB PRO A 38 -6.398 10.705 9.743 1.00 0.00 C ATOM 907 CG PRO A 38 -6.251 10.483 11.207 1.00 0.00 C ATOM 908 CD PRO A 38 -5.011 11.225 11.616 1.00 0.00 C ATOM 0 HA PRO A 38 -4.589 9.873 8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.959 11.616 9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.938 9.884 9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.123 10.852 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.162 9.420 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.238 12.242 11.936 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.504 10.735 12.447 1.00 0.00 H new ATOM 916 N ASP A 39 -5.109 13.089 8.416 1.00 0.00 N ATOM 917 CA ASP A 39 -5.068 14.160 7.425 1.00 0.00 C ATOM 918 C ASP A 39 -3.632 14.478 7.017 1.00 0.00 C ATOM 919 O ASP A 39 -3.379 14.906 5.891 1.00 0.00 O ATOM 920 CB ASP A 39 -5.742 15.417 7.976 1.00 0.00 C ATOM 921 CG ASP A 39 -6.499 16.182 6.908 1.00 0.00 C ATOM 922 OD1 ASP A 39 -6.970 15.546 5.943 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -6.619 17.419 7.037 1.00 0.00 O ATOM 0 H ASP A 39 -5.321 13.399 9.364 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.608 13.820 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.429 15.137 8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.987 16.067 8.418 1.00 0.00 H new ATOM 928 N GLN A 40 -2.697 14.266 7.937 1.00 0.00 N ATOM 929 CA GLN A 40 -1.288 14.534 7.670 1.00 0.00 C ATOM 930 C GLN A 40 -0.788 13.713 6.485 1.00 0.00 C ATOM 931 O GLN A 40 0.107 14.140 5.755 1.00 0.00 O ATOM 932 CB GLN A 40 -0.445 14.228 8.910 1.00 0.00 C ATOM 933 CG GLN A 40 -0.256 15.424 9.828 1.00 0.00 C ATOM 934 CD GLN A 40 0.316 16.629 9.109 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.531 16.754 8.953 1.00 0.00 O ATOM 936 NE2 GLN A 40 -0.558 17.526 8.666 1.00 0.00 N ATOM 0 H GLN A 40 -2.889 13.910 8.873 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.188 15.591 7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.918 13.422 9.471 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.533 13.865 8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.215 15.692 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.407 15.147 10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.557 17.383 8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.231 18.358 8.175 1.00 0.00 H new ATOM 945 N GLN A 41 -1.366 12.530 6.303 1.00 0.00 N ATOM 946 CA GLN A 41 -0.974 11.650 5.208 1.00 0.00 C ATOM 947 C GLN A 41 -2.188 11.198 4.403 1.00 0.00 C ATOM 948 O GLN A 41 -3.331 11.386 4.823 1.00 0.00 O ATOM 949 CB GLN A 41 -0.228 10.431 5.755 1.00 0.00 C ATOM 950 CG GLN A 41 -1.091 9.526 6.618 1.00 0.00 C ATOM 951 CD GLN A 41 -0.270 8.572 7.465 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.862 8.234 7.120 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.840 8.133 8.581 1.00 0.00 N ATOM 0 H GLN A 41 -2.106 12.159 6.899 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.314 12.209 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.168 9.853 4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.626 10.771 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.716 10.138 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.762 8.953 5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.781 8.440 8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.337 7.489 9.191 1.00 0.00 H new ATOM 962 N ARG A 42 -1.932 10.597 3.245 1.00 0.00 N ATOM 963 CA ARG A 42 -3.002 10.113 2.380 1.00 0.00 C ATOM 964 C ARG A 42 -2.704 8.698 1.895 1.00 0.00 C ATOM 965 O ARG A 42 -1.578 8.215 2.020 1.00 0.00 O ATOM 966 CB ARG A 42 -3.183 11.049 1.183 1.00 0.00 C ATOM 967 CG ARG A 42 -4.166 12.180 1.438 1.00 0.00 C ATOM 968 CD ARG A 42 -4.003 13.300 0.424 1.00 0.00 C ATOM 969 NE ARG A 42 -2.605 13.700 0.270 1.00 0.00 N ATOM 970 CZ ARG A 42 -1.960 14.488 1.128 1.00 0.00 C ATOM 971 NH1 ARG A 42 -2.581 14.963 2.199 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -0.689 14.801 0.913 1.00 0.00 N ATOM 0 H ARG A 42 -0.992 10.434 2.884 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.926 10.095 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.215 11.473 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.525 10.468 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.185 11.794 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.016 12.574 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.396 12.976 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.594 14.161 0.736 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.094 13.355 -0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.558 14.725 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.082 15.566 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.206 14.438 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.194 15.405 1.570 1.00 0.00 H new ATOM 986 N LEU A 43 -3.716 8.037 1.342 1.00 0.00 N ATOM 987 CA LEU A 43 -3.553 6.676 0.842 1.00 0.00 C ATOM 988 C LEU A 43 -4.152 6.527 -0.553 1.00 0.00 C ATOM 989 O LEU A 43 -5.151 7.166 -0.882 1.00 0.00 O ATOM 990 CB LEU A 43 -4.204 5.676 1.800 1.00 0.00 C ATOM 991 CG LEU A 43 -3.428 4.380 2.007 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.050 4.692 2.545 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.180 3.446 2.945 1.00 0.00 C ATOM 0 H LEU A 43 -4.655 8.420 1.229 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.485 6.467 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.339 6.159 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.197 5.431 1.425 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.323 3.872 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.498 3.764 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.516 5.323 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.141 5.215 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.609 2.527 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.316 3.933 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.154 3.208 2.518 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.534 5.674 -1.365 1.00 0.00 N ATOM 1006 CA ILE A 44 -4.003 5.432 -2.724 1.00 0.00 C ATOM 1007 C ILE A 44 -3.854 3.961 -3.099 1.00 0.00 C ATOM 1008 O ILE A 44 -2.944 3.279 -2.624 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.234 6.289 -3.748 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.203 7.754 -3.303 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.866 6.163 -5.126 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.939 8.134 -2.565 1.00 0.00 C ATOM 0 H ILE A 44 -2.706 5.139 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.057 5.710 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.208 5.925 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.309 8.394 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.062 7.948 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.311 6.774 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.840 5.121 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.901 6.503 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.986 9.185 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.841 7.519 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.077 7.972 -3.212 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.749 3.478 -3.954 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.714 2.087 -4.391 1.00 0.00 C ATOM 1026 C PHE A 45 -5.525 1.895 -5.668 1.00 0.00 C ATOM 1027 O PHE A 45 -6.679 2.319 -5.754 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.253 1.171 -3.290 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.789 -0.252 -3.413 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.440 -0.547 -3.535 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.701 -1.295 -3.408 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.010 -1.855 -3.650 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.277 -2.606 -3.522 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.930 -2.886 -3.643 1.00 0.00 C ATOM 0 H PHE A 45 -5.507 4.028 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.677 1.825 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.946 1.562 -2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.343 1.193 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.717 0.255 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.755 -1.081 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.956 -2.071 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.998 -3.410 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.596 -3.909 -3.732 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.915 1.252 -6.660 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.579 1.002 -7.934 1.00 0.00 C ATOM 1046 C ALA A 46 -6.065 2.301 -8.567 1.00 0.00 C ATOM 1047 O ALA A 46 -7.158 2.357 -9.134 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.742 0.039 -7.741 1.00 0.00 C ATOM 0 H ALA A 46 -3.961 0.895 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.854 0.550 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.229 -0.139 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.371 -0.905 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.460 0.471 -7.044 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.249 3.344 -8.466 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.615 4.628 -9.033 1.00 0.00 C ATOM 1056 C GLY A 47 -6.829 5.236 -8.359 1.00 0.00 C ATOM 1057 O GLY A 47 -7.535 6.051 -8.954 1.00 0.00 O ATOM 0 H GLY A 47 -4.341 3.323 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.773 5.314 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.817 4.507 -10.097 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.074 4.839 -7.114 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.212 5.351 -6.358 1.00 0.00 C ATOM 1063 C LYS A 48 -7.748 6.034 -5.076 1.00 0.00 C ATOM 1064 O LYS A 48 -7.045 5.436 -4.261 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.180 4.214 -6.022 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.610 3.403 -7.234 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.231 4.287 -8.304 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.587 3.488 -9.548 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.642 4.161 -10.356 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.500 4.165 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.727 6.087 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.709 3.549 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.065 4.631 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.748 2.880 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.328 2.642 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.127 4.765 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.536 5.084 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.695 3.350 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.931 2.496 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.857 3.585 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.502 4.270 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.305 5.098 -10.656 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.145 7.290 -4.903 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.768 8.055 -3.720 1.00 0.00 C ATOM 1085 C GLN A 49 -8.505 7.548 -2.486 1.00 0.00 C ATOM 1086 O GLN A 49 -9.685 7.840 -2.290 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.066 9.540 -3.933 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.021 10.463 -3.327 1.00 0.00 C ATOM 1089 CD GLN A 49 -7.178 10.616 -1.826 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -8.097 11.284 -1.353 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.279 9.997 -1.071 1.00 0.00 N ATOM 0 H GLN A 49 -8.728 7.800 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.698 7.925 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.137 9.738 -5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.039 9.773 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.027 10.074 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.091 11.444 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.534 9.454 -1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.333 10.064 -0.055 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.801 6.786 -1.654 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.387 6.238 -0.436 1.00 0.00 C ATOM 1102 C LEU A 50 -8.759 7.357 0.534 1.00 0.00 C ATOM 1103 O LEU A 50 -8.029 7.635 1.485 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.410 5.267 0.232 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.693 3.785 -0.022 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.607 3.468 -1.506 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.733 2.917 0.770 1.00 0.00 C ATOM 0 H LEU A 50 -6.824 6.534 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.294 5.698 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.402 5.493 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.424 5.445 1.307 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.707 3.567 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.812 2.409 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.341 4.064 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.607 3.703 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.949 1.866 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.709 3.138 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.850 3.122 1.834 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.898 7.995 0.286 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.367 9.084 1.134 1.00 0.00 C ATOM 1121 C GLU A 51 -10.872 8.556 2.474 1.00 0.00 C ATOM 1122 O GLU A 51 -11.229 7.384 2.595 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.479 9.864 0.431 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.180 10.169 -1.028 1.00 0.00 C ATOM 1125 CD GLU A 51 -11.906 11.403 -1.527 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -12.146 12.319 -0.714 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -12.234 11.451 -2.731 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.514 7.776 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.525 9.751 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.406 9.293 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.646 10.801 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.106 10.308 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.464 9.313 -1.640 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.901 9.429 3.474 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.364 9.053 4.806 1.00 0.00 C ATOM 1136 C ASP A 52 -12.836 8.652 4.775 1.00 0.00 C ATOM 1137 O ASP A 52 -13.709 9.480 4.517 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.158 10.208 5.786 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.704 10.621 5.896 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.824 9.780 5.614 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -9.442 11.786 6.265 1.00 0.00 O1- ATOM 0 H ASP A 52 -10.609 10.403 3.389 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.779 8.196 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.752 11.063 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.525 9.916 6.770 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.102 7.378 5.038 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.468 6.889 5.035 1.00 0.00 C ATOM 1148 C GLY A 53 -14.733 5.908 3.908 1.00 0.00 C ATOM 1149 O GLY A 53 -15.883 5.696 3.520 1.00 0.00 O ATOM 0 H GLY A 53 -12.396 6.674 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.680 6.407 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.152 7.733 4.946 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.670 5.306 3.384 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.794 4.342 2.298 1.00 0.00 C ATOM 1155 C ARG A 54 -13.325 2.961 2.742 1.00 0.00 C ATOM 1156 O ARG A 54 -12.274 2.823 3.367 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.986 4.802 1.083 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.409 6.160 0.549 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.707 6.069 -0.237 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.863 5.876 0.636 1.00 0.00 N ATOM 1161 CZ ARG A 54 -17.048 5.439 0.213 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.236 5.148 -1.068 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -18.046 5.293 1.074 1.00 0.00 N ATOM 0 H ARG A 54 -12.712 5.469 3.695 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.846 4.278 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.930 4.840 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.086 4.062 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.533 6.856 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.623 6.562 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.842 6.979 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.645 5.242 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.756 6.089 1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.471 5.259 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.145 4.814 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.906 5.515 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.954 4.958 0.751 1.00 0.00 H new ATOM 1177 N THR A 55 -14.112 1.941 2.418 1.00 0.00 N ATOM 1178 CA THR A 55 -13.778 0.570 2.787 1.00 0.00 C ATOM 1179 C THR A 55 -12.618 0.046 1.946 1.00 0.00 C ATOM 1180 O THR A 55 -12.189 0.692 0.990 1.00 0.00 O ATOM 1181 CB THR A 55 -14.996 -0.337 2.618 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.738 0.027 1.468 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.938 -0.299 3.803 1.00 0.00 C ATOM 0 H THR A 55 -14.986 2.037 1.901 1.00 0.00 H new ATOM 0 HA THR A 55 -13.474 0.567 3.834 1.00 0.00 H new ATOM 0 HB THR A 55 -14.594 -1.346 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.512 -0.567 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.781 -0.965 3.619 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.409 -0.623 4.699 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.303 0.718 3.945 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.114 -1.128 2.311 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.004 -1.741 1.593 1.00 0.00 C ATOM 1193 C LEU A 56 -11.502 -2.634 0.463 1.00 0.00 C ATOM 1194 O LEU A 56 -10.892 -2.700 -0.604 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.136 -2.547 2.551 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.717 -1.821 3.831 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.325 -2.234 4.229 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.731 -0.324 3.644 1.00 0.00 C ATOM 0 H LEU A 56 -12.458 -1.674 3.101 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.407 -0.941 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.676 -3.453 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.237 -2.861 2.022 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.432 -2.092 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.037 -1.711 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.301 -3.310 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.628 -1.981 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.428 0.161 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.038 -0.050 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.737 -0.000 3.376 1.00 0.00 H new ATOM 1210 N SER A 57 -12.614 -3.319 0.704 1.00 0.00 N ATOM 1211 CA SER A 57 -13.196 -4.210 -0.294 1.00 0.00 C ATOM 1212 C SER A 57 -13.513 -3.455 -1.582 1.00 0.00 C ATOM 1213 O SER A 57 -13.488 -4.030 -2.671 1.00 0.00 O ATOM 1214 CB SER A 57 -14.466 -4.863 0.254 1.00 0.00 C ATOM 1215 OG SER A 57 -14.983 -5.818 -0.657 1.00 0.00 O ATOM 0 H SER A 57 -13.131 -3.275 1.582 1.00 0.00 H new ATOM 0 HA SER A 57 -12.465 -4.986 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.248 -5.346 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.217 -4.098 0.449 1.00 0.00 H new ATOM 0 HG SER A 57 -15.794 -6.222 -0.283 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.810 -2.167 -1.450 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.131 -1.335 -2.604 1.00 0.00 C ATOM 1223 C ASP A 58 -12.936 -1.225 -3.545 1.00 0.00 C ATOM 1224 O ASP A 58 -13.101 -1.094 -4.758 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.566 0.058 -2.148 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.369 0.789 -3.207 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.168 0.131 -3.904 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -15.197 2.019 -3.339 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.835 -1.676 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.952 -1.806 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.163 -0.030 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.684 0.646 -1.894 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.735 -1.278 -2.978 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.513 -1.182 -3.770 1.00 0.00 C ATOM 1235 C TYR A 59 -9.877 -2.557 -3.982 1.00 0.00 C ATOM 1236 O TYR A 59 -8.753 -2.658 -4.473 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.513 -0.248 -3.088 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.112 1.075 -2.663 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.368 2.073 -3.594 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.420 1.325 -1.331 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.915 3.283 -3.211 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.967 2.532 -0.940 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.212 3.507 -1.883 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.757 4.711 -1.497 1.00 0.00 O ATOM 0 H TYR A 59 -11.581 -1.387 -1.975 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.780 -0.776 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.100 -0.748 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.682 -0.059 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.136 1.901 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.229 0.563 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.109 4.049 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.201 2.711 0.099 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.676 4.776 -1.830 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.600 -3.612 -3.612 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.100 -4.975 -3.768 1.00 0.00 C ATOM 1256 C ASN A 60 -8.755 -5.149 -3.066 1.00 0.00 C ATOM 1257 O ASN A 60 -7.834 -5.760 -3.609 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.964 -5.323 -5.251 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.303 -5.599 -5.905 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.821 -4.774 -6.657 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.871 -6.765 -5.621 1.00 0.00 N ATOM 0 H ASN A 60 -11.532 -3.549 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.818 -5.653 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.472 -4.501 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.323 -6.198 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.773 -7.007 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.406 -7.419 -4.992 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.648 -4.608 -1.857 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.417 -4.706 -1.083 1.00 0.00 C ATOM 1270 C ILE A 61 -7.287 -6.076 -0.425 1.00 0.00 C ATOM 1271 O ILE A 61 -8.078 -6.435 0.447 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.348 -3.617 0.005 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.670 -2.246 -0.594 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.975 -3.608 0.661 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.627 -1.117 0.414 1.00 0.00 C ATOM 0 H ILE A 61 -9.399 -4.097 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.593 -4.563 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.091 -3.841 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.962 -2.034 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.661 -2.280 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.943 -2.833 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.784 -4.579 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.213 -3.406 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.865 -0.177 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.355 -1.306 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.629 -1.055 0.849 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.284 -6.837 -0.850 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.048 -8.170 -0.303 1.00 0.00 C ATOM 1289 C GLN A 62 -5.032 -8.118 0.834 1.00 0.00 C ATOM 1290 O GLN A 62 -4.682 -7.042 1.317 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.557 -9.114 -1.402 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.396 -9.064 -2.668 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.336 -10.247 -2.791 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.440 -10.863 -3.851 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -8.028 -10.568 -1.704 1.00 0.00 N ATOM 0 H GLN A 62 -5.621 -6.554 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.990 -8.547 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.525 -8.864 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.554 -10.134 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.976 -8.141 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.737 -9.037 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.910 -10.029 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.678 -11.354 -1.727 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.563 -9.287 1.258 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.588 -9.371 2.340 1.00 0.00 C ATOM 1306 C LYS A 63 -2.171 -9.169 1.813 1.00 0.00 C ATOM 1307 O LYS A 63 -1.863 -9.523 0.674 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.696 -10.723 3.051 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.283 -11.905 2.186 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.488 -12.663 1.663 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.969 -13.705 2.660 1.00 0.00 C ATOM 1312 NZ LYS A 63 -5.838 -13.108 3.711 1.00 0.00 N1+ ATOM 0 H LYS A 63 -4.842 -10.188 0.870 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.806 -8.577 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.073 -10.704 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.724 -10.868 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.683 -11.551 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.653 -12.579 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.295 -11.962 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.232 -13.150 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.520 -14.484 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.109 -14.183 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.433 -13.850 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.245 -12.679 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.444 -12.377 3.286 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.311 -8.596 2.649 1.00 0.00 N ATOM 1327 CA GLU A 64 0.076 -8.344 2.273 1.00 0.00 C ATOM 1328 C GLU A 64 0.156 -7.515 0.993 1.00 0.00 C ATOM 1329 O GLU A 64 1.142 -7.585 0.259 1.00 0.00 O ATOM 1330 CB GLU A 64 0.826 -9.664 2.085 1.00 0.00 C ATOM 1331 CG GLU A 64 1.174 -10.356 3.393 1.00 0.00 C ATOM 1332 CD GLU A 64 2.005 -11.607 3.186 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.248 -11.495 3.147 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.412 -12.700 3.065 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.551 -8.297 3.594 1.00 0.00 H new ATOM 0 HA GLU A 64 0.544 -7.779 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.218 -10.335 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.744 -9.475 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.720 -9.663 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.255 -10.617 3.918 1.00 0.00 H new ATOM 1341 N SER A 65 -0.885 -6.731 0.733 1.00 0.00 N ATOM 1342 CA SER A 65 -0.927 -5.889 -0.456 1.00 0.00 C ATOM 1343 C SER A 65 -0.019 -4.675 -0.291 1.00 0.00 C ATOM 1344 O SER A 65 0.687 -4.549 0.709 1.00 0.00 O ATOM 1345 CB SER A 65 -2.362 -5.435 -0.735 1.00 0.00 C ATOM 1346 OG SER A 65 -3.211 -6.544 -0.972 1.00 0.00 O ATOM 0 H SER A 65 -1.710 -6.661 1.329 1.00 0.00 H new ATOM 0 HA SER A 65 -0.570 -6.476 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.736 -4.861 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.375 -4.772 -1.600 1.00 0.00 H new ATOM 0 HG SER A 65 -3.601 -6.472 -1.868 1.00 0.00 H new ATOM 1352 N THR A 66 -0.043 -3.784 -1.276 1.00 0.00 N ATOM 1353 CA THR A 66 0.779 -2.581 -1.235 1.00 0.00 C ATOM 1354 C THR A 66 -0.079 -1.328 -1.381 1.00 0.00 C ATOM 1355 O THR A 66 -0.461 -0.952 -2.489 1.00 0.00 O ATOM 1356 CB THR A 66 1.844 -2.622 -2.334 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.685 -3.771 -3.149 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.257 -2.635 -1.793 1.00 0.00 C ATOM 0 H THR A 66 -0.622 -3.872 -2.111 1.00 0.00 H new ATOM 0 HA THR A 66 1.275 -2.546 -0.265 1.00 0.00 H new ATOM 0 HB THR A 66 1.699 -1.709 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.375 -3.776 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.964 -2.664 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.428 -1.736 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.398 -3.515 -1.165 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.377 -0.686 -0.256 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.189 0.525 -0.262 1.00 0.00 C ATOM 1368 C LEU A 67 -0.308 1.766 -0.352 1.00 0.00 C ATOM 1369 O LEU A 67 0.520 2.017 0.525 1.00 0.00 O ATOM 1370 CB LEU A 67 -2.061 0.593 0.996 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.357 -0.216 0.943 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.256 0.136 2.119 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -4.088 0.014 -0.373 1.00 0.00 C ATOM 0 H LEU A 67 -0.069 -0.984 0.670 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.836 0.493 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.471 0.247 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.312 1.636 1.187 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.098 -1.273 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.173 -0.450 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.739 -0.087 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.501 1.198 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.007 -0.572 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.331 1.072 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.450 -0.292 -1.202 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.492 2.540 -1.416 1.00 0.00 N ATOM 1386 CA HIS A 68 0.287 3.756 -1.619 1.00 0.00 C ATOM 1387 C HIS A 68 -0.042 4.795 -0.554 1.00 0.00 C ATOM 1388 O HIS A 68 -1.204 4.979 -0.191 1.00 0.00 O ATOM 1389 CB HIS A 68 0.018 4.332 -3.010 1.00 0.00 C ATOM 1390 CG HIS A 68 0.671 3.561 -4.114 1.00 0.00 C ATOM 1391 ND1 HIS A 68 -0.019 3.074 -5.205 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.962 3.191 -4.294 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.818 2.439 -6.007 1.00 0.00 C ATOM 1394 NE2 HIS A 68 2.026 2.496 -5.476 1.00 0.00 N ATOM 0 H HIS A 68 -1.173 2.347 -2.150 1.00 0.00 H new ATOM 0 HA HIS A 68 1.343 3.500 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.058 4.356 -3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.369 5.363 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.787 3.403 -3.631 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.558 1.956 -6.937 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.870 2.089 -5.879 1.00 0.00 H new ATOM 1403 N LEU A 69 0.987 5.470 -0.053 1.00 0.00 N ATOM 1404 CA LEU A 69 0.807 6.491 0.972 1.00 0.00 C ATOM 1405 C LEU A 69 1.470 7.801 0.561 1.00 0.00 C ATOM 1406 O LEU A 69 2.481 7.803 -0.142 1.00 0.00 O ATOM 1407 CB LEU A 69 1.385 6.013 2.306 1.00 0.00 C ATOM 1408 CG LEU A 69 0.791 6.678 3.544 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.736 5.698 4.707 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.609 7.897 3.914 1.00 0.00 C ATOM 0 H LEU A 69 1.955 5.328 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.263 6.666 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.235 4.936 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.461 6.186 2.301 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.228 6.991 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.309 6.193 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.116 4.844 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.744 5.354 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.180 8.368 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.635 7.596 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.601 8.606 3.086 1.00 0.00 H new ATOM 1422 N VAL A 70 0.895 8.913 1.005 1.00 0.00 N ATOM 1423 CA VAL A 70 1.431 10.232 0.685 1.00 0.00 C ATOM 1424 C VAL A 70 1.604 11.071 1.945 1.00 0.00 C ATOM 1425 O VAL A 70 0.649 11.669 2.441 1.00 0.00 O ATOM 1426 CB VAL A 70 0.521 10.986 -0.301 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.190 12.267 -0.775 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.157 10.097 -1.481 1.00 0.00 C ATOM 0 H VAL A 70 0.058 8.928 1.588 1.00 0.00 H new ATOM 0 HA VAL A 70 2.403 10.075 0.218 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.399 11.255 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.531 12.786 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.392 12.910 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.127 12.024 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.487 10.648 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.065 9.793 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.369 9.212 -1.122 1.00 0.00 H new ATOM 1438 N LEU A 71 2.829 11.111 2.461 1.00 0.00 N ATOM 1439 CA LEU A 71 3.128 11.877 3.665 1.00 0.00 C ATOM 1440 C LEU A 71 3.317 13.355 3.338 1.00 0.00 C ATOM 1441 O LEU A 71 4.234 13.726 2.605 1.00 0.00 O ATOM 1442 CB LEU A 71 4.384 11.330 4.346 1.00 0.00 C ATOM 1443 CG LEU A 71 4.385 9.818 4.582 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.785 9.334 4.927 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.404 9.452 5.686 1.00 0.00 C ATOM 0 H LEU A 71 3.631 10.621 2.063 1.00 0.00 H new ATOM 0 HA LEU A 71 2.282 11.779 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.251 11.588 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.507 11.832 5.305 1.00 0.00 H new ATOM 0 HG LEU A 71 4.068 9.324 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.767 8.257 5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.463 9.564 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.130 9.834 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.417 8.373 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.691 9.955 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.400 9.765 5.399 1.00 0.00 H new ATOM 1457 N ARG A 72 2.443 14.194 3.884 1.00 0.00 N ATOM 1458 CA ARG A 72 2.515 15.632 3.650 1.00 0.00 C ATOM 1459 C ARG A 72 3.652 16.257 4.452 1.00 0.00 C ATOM 1460 O ARG A 72 3.501 16.549 5.638 1.00 0.00 O ATOM 1461 CB ARG A 72 1.188 16.297 4.021 1.00 0.00 C ATOM 1462 CG ARG A 72 1.163 17.793 3.755 1.00 0.00 C ATOM 1463 CD ARG A 72 0.162 18.501 4.653 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.100 18.767 3.964 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.276 19.760 3.096 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -0.275 20.584 2.808 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -2.455 19.931 2.515 1.00 0.00 N ATOM 0 H ARG A 72 1.677 13.903 4.491 1.00 0.00 H new ATOM 0 HA ARG A 72 2.711 15.793 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.384 15.823 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.985 16.121 5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.157 18.209 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.908 17.974 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.029 17.890 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.590 19.441 5.002 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.892 18.155 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.634 20.457 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.415 21.344 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.227 19.301 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.590 20.692 1.850 1.00 0.00 H new