USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 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 7 THR OG1 : rot 117:sc= -0.709 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.056 (180deg=-0.428) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1 USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.763 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0865 USER MOD Single : A 25 ASN : amide:sc= -3.39 X(o=-3.4,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -2.34 (180deg=-3.77) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.84 K(o=-2.8,f=-3.6) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.0347 (180deg=-0.141) USER MOD Single : A 40 GLN : amide:sc= -2.01 K(o=-2,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= -6.77 K(o=-6.8,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -39:sc= -0.754 USER MOD Single : A 60 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -1.63 X(o=-1.6,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ -108:sc= -0.501 (180deg=-1.54!) USER MOD Single : A 65 SER OG : rot 137:sc=-0.00434 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.831 K(o=0.83,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.242 -9.103 7.007 1.00 0.00 N ATOM 327 CA GLN A 2 -2.135 -8.176 7.209 1.00 0.00 C ATOM 328 C GLN A 2 -1.641 -7.630 5.874 1.00 0.00 C ATOM 329 O GLN A 2 -1.108 -8.371 5.049 1.00 0.00 O ATOM 330 CB GLN A 2 -0.989 -8.871 7.950 1.00 0.00 C ATOM 331 CG GLN A 2 -0.747 -8.323 9.347 1.00 0.00 C ATOM 332 CD GLN A 2 0.361 -9.056 10.077 1.00 0.00 C ATOM 333 OE1 GLN A 2 1.462 -8.359 10.333 1.00 0.00 O flip ATOM 334 NE2 GLN A 2 0.229 -10.234 10.408 1.00 0.00 N flip ATOM 0 HA GLN A 2 -2.492 -7.342 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.206 -9.937 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.075 -8.769 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.494 -7.265 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.668 -8.395 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.635 -10.731 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.983 -10.713 10.900 1.00 0.00 H new ATOM 343 N ILE A 3 -1.819 -6.328 5.670 1.00 0.00 N ATOM 344 CA ILE A 3 -1.391 -5.684 4.433 1.00 0.00 C ATOM 345 C ILE A 3 -0.109 -4.890 4.648 1.00 0.00 C ATOM 346 O ILE A 3 0.397 -4.806 5.767 1.00 0.00 O ATOM 347 CB ILE A 3 -2.478 -4.744 3.881 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.887 -3.720 4.941 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.685 -5.545 3.417 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.541 -2.487 4.371 1.00 0.00 C ATOM 0 H ILE A 3 -2.256 -5.699 6.344 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.210 -6.478 3.708 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.071 -4.207 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.573 -4.192 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.004 -3.424 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.445 -4.866 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.382 -6.237 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.094 -6.106 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.803 -1.807 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.850 -1.990 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.443 -2.771 3.829 1.00 0.00 H new ATOM 362 N PHE A 4 0.415 -4.308 3.574 1.00 0.00 N ATOM 363 CA PHE A 4 1.638 -3.524 3.662 1.00 0.00 C ATOM 364 C PHE A 4 1.441 -2.126 3.089 1.00 0.00 C ATOM 365 O PHE A 4 1.240 -1.954 1.887 1.00 0.00 O ATOM 366 CB PHE A 4 2.785 -4.239 2.940 1.00 0.00 C ATOM 367 CG PHE A 4 3.802 -4.804 3.887 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.421 -3.984 4.813 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.125 -6.150 3.865 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.346 -4.491 5.704 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.050 -6.667 4.752 1.00 0.00 C ATOM 372 CZ PHE A 4 5.661 -5.837 5.675 1.00 0.00 C ATOM 0 H PHE A 4 0.013 -4.365 2.638 1.00 0.00 H new ATOM 0 HA PHE A 4 1.895 -3.422 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.378 -5.044 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.275 -3.539 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.177 -2.932 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.649 -6.802 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.822 -3.838 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.296 -7.718 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.382 -6.239 6.371 1.00 0.00 H new ATOM 382 N VAL A 5 1.503 -1.127 3.963 1.00 0.00 N ATOM 383 CA VAL A 5 1.341 0.259 3.550 1.00 0.00 C ATOM 384 C VAL A 5 2.685 0.863 3.161 1.00 0.00 C ATOM 385 O VAL A 5 3.529 1.127 4.020 1.00 0.00 O ATOM 386 CB VAL A 5 0.702 1.110 4.666 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.460 2.534 4.183 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.596 0.476 5.148 1.00 0.00 C ATOM 0 H VAL A 5 1.664 -1.253 4.962 1.00 0.00 H new ATOM 0 HA VAL A 5 0.676 0.264 2.686 1.00 0.00 H new ATOM 0 HB VAL A 5 1.395 1.149 5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.009 3.118 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.409 2.986 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.211 2.518 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.031 1.092 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.296 0.403 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.391 -0.521 5.538 1.00 0.00 H new ATOM 398 N LYS A 6 2.881 1.072 1.862 1.00 0.00 N ATOM 399 CA LYS A 6 4.125 1.639 1.356 1.00 0.00 C ATOM 400 C LYS A 6 4.044 3.161 1.301 1.00 0.00 C ATOM 401 O LYS A 6 3.000 3.723 0.976 1.00 0.00 O ATOM 402 CB LYS A 6 4.432 1.085 -0.036 1.00 0.00 C ATOM 403 CG LYS A 6 5.919 0.970 -0.331 1.00 0.00 C ATOM 404 CD LYS A 6 6.170 0.444 -1.734 1.00 0.00 C ATOM 405 CE LYS A 6 6.459 1.575 -2.708 1.00 0.00 C ATOM 406 NZ LYS A 6 5.240 2.374 -3.011 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.193 0.857 1.141 1.00 0.00 H new ATOM 0 HA LYS A 6 4.928 1.358 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.973 0.101 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.970 1.729 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.390 1.947 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.385 0.305 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.011 -0.249 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.300 -0.118 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.225 2.227 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.862 1.163 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.404 2.948 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.437 1.734 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.026 2.999 -2.208 1.00 0.00 H new ATOM 420 N THR A 7 5.152 3.822 1.620 1.00 0.00 N ATOM 421 CA THR A 7 5.201 5.280 1.604 1.00 0.00 C ATOM 422 C THR A 7 5.968 5.783 0.385 1.00 0.00 C ATOM 423 O THR A 7 6.693 5.026 -0.261 1.00 0.00 O ATOM 424 CB THR A 7 5.855 5.804 2.883 1.00 0.00 C ATOM 425 OG1 THR A 7 7.232 5.477 2.913 1.00 0.00 O ATOM 426 CG2 THR A 7 5.224 5.255 4.145 1.00 0.00 C ATOM 0 H THR A 7 6.026 3.373 1.892 1.00 0.00 H new ATOM 0 HA THR A 7 4.178 5.653 1.549 1.00 0.00 H new ATOM 0 HB THR A 7 5.707 6.884 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.764 6.300 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.735 5.666 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.171 5.534 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.312 4.169 4.153 1.00 0.00 H new ATOM 434 N LEU A 8 5.805 7.066 0.075 1.00 0.00 N ATOM 435 CA LEU A 8 6.482 7.670 -1.066 1.00 0.00 C ATOM 436 C LEU A 8 7.996 7.517 -0.943 1.00 0.00 C ATOM 437 O LEU A 8 8.672 7.141 -1.899 1.00 0.00 O ATOM 438 CB LEU A 8 6.112 9.149 -1.183 1.00 0.00 C ATOM 439 CG LEU A 8 5.004 9.459 -2.191 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.049 10.504 -1.645 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.595 9.947 -3.496 1.00 0.00 C ATOM 0 H LEU A 8 5.209 7.707 0.599 1.00 0.00 H new ATOM 0 HA LEU A 8 6.155 7.151 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.802 9.509 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.004 9.710 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 8 4.450 8.537 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.271 10.706 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.592 10.135 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.597 11.423 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.792 10.163 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.174 10.853 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.245 9.177 -3.911 1.00 0.00 H new ATOM 453 N THR A 9 8.519 7.808 0.243 1.00 0.00 N ATOM 454 CA THR A 9 9.952 7.700 0.493 1.00 0.00 C ATOM 455 C THR A 9 10.434 6.270 0.277 1.00 0.00 C ATOM 456 O THR A 9 11.586 6.040 -0.090 1.00 0.00 O ATOM 457 CB THR A 9 10.278 8.152 1.917 1.00 0.00 C ATOM 458 OG1 THR A 9 9.220 7.828 2.801 1.00 0.00 O ATOM 459 CG2 THR A 9 10.533 9.639 2.031 1.00 0.00 C ATOM 0 H THR A 9 7.973 8.120 1.046 1.00 0.00 H new ATOM 0 HA THR A 9 10.470 8.349 -0.213 1.00 0.00 H new ATOM 0 HB THR A 9 11.192 7.622 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.449 8.124 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.758 9.891 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.378 9.913 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.647 10.186 1.709 1.00 0.00 H new ATOM 467 N GLY A 10 9.542 5.309 0.507 1.00 0.00 N ATOM 468 CA GLY A 10 9.893 3.912 0.332 1.00 0.00 C ATOM 469 C GLY A 10 9.868 3.141 1.637 1.00 0.00 C ATOM 470 O GLY A 10 10.877 2.565 2.045 1.00 0.00 O ATOM 0 H GLY A 10 8.583 5.474 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.200 3.452 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.888 3.843 -0.109 1.00 0.00 H new ATOM 474 N LYS A 11 8.712 3.128 2.293 1.00 0.00 N ATOM 475 CA LYS A 11 8.562 2.421 3.559 1.00 0.00 C ATOM 476 C LYS A 11 7.264 1.621 3.589 1.00 0.00 C ATOM 477 O LYS A 11 6.173 2.188 3.630 1.00 0.00 O ATOM 478 CB LYS A 11 8.591 3.407 4.728 1.00 0.00 C ATOM 479 CG LYS A 11 8.438 2.744 6.089 1.00 0.00 C ATOM 480 CD LYS A 11 9.757 2.212 6.606 1.00 0.00 C ATOM 481 CE LYS A 11 9.644 0.760 7.043 1.00 0.00 C ATOM 482 NZ LYS A 11 10.974 0.092 7.101 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.867 3.598 1.969 1.00 0.00 H new ATOM 0 HA LYS A 11 9.398 1.728 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.532 3.957 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.792 4.137 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.032 3.463 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.720 1.927 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.515 2.300 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.091 2.820 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.171 0.712 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.997 0.222 6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.853 -0.896 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.415 0.115 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.583 0.590 7.781 1.00 0.00 H new ATOM 496 N THR A 12 7.395 0.300 3.580 1.00 0.00 N ATOM 497 CA THR A 12 6.236 -0.588 3.616 1.00 0.00 C ATOM 498 C THR A 12 6.119 -1.248 4.985 1.00 0.00 C ATOM 499 O THR A 12 6.998 -2.008 5.392 1.00 0.00 O ATOM 500 CB THR A 12 6.348 -1.656 2.526 1.00 0.00 C ATOM 501 OG1 THR A 12 7.353 -1.314 1.587 1.00 0.00 O ATOM 502 CG2 THR A 12 5.060 -1.867 1.760 1.00 0.00 C ATOM 0 H THR A 12 8.293 -0.182 3.548 1.00 0.00 H new ATOM 0 HA THR A 12 5.340 0.005 3.433 1.00 0.00 H new ATOM 0 HB THR A 12 6.596 -2.578 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.409 -2.011 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.209 -2.637 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.275 -2.181 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.767 -0.935 1.277 1.00 0.00 H new ATOM 510 N ILE A 13 5.039 -0.948 5.700 1.00 0.00 N ATOM 511 CA ILE A 13 4.836 -1.515 7.030 1.00 0.00 C ATOM 512 C ILE A 13 3.634 -2.453 7.080 1.00 0.00 C ATOM 513 O ILE A 13 2.603 -2.196 6.459 1.00 0.00 O ATOM 514 CB ILE A 13 4.636 -0.417 8.089 1.00 0.00 C ATOM 515 CG1 ILE A 13 5.915 0.371 8.291 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.210 -1.036 9.396 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.070 -0.493 8.698 1.00 0.00 C ATOM 0 H ILE A 13 4.298 -0.322 5.386 1.00 0.00 H new ATOM 0 HA ILE A 13 5.741 -2.081 7.251 1.00 0.00 H new ATOM 0 HB ILE A 13 3.859 0.262 7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.165 0.893 7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.751 1.133 9.053 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.070 -0.253 10.141 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.273 -1.574 9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.979 -1.729 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.958 0.125 8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.836 -0.995 9.637 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.257 -1.239 7.925 1.00 0.00 H new ATOM 529 N THR A 14 3.774 -3.533 7.846 1.00 0.00 N ATOM 530 CA THR A 14 2.694 -4.496 7.999 1.00 0.00 C ATOM 531 C THR A 14 1.585 -3.887 8.838 1.00 0.00 C ATOM 532 O THR A 14 1.782 -3.568 10.010 1.00 0.00 O ATOM 533 CB THR A 14 3.192 -5.790 8.647 1.00 0.00 C ATOM 534 OG1 THR A 14 4.598 -5.770 8.814 1.00 0.00 O ATOM 535 CG2 THR A 14 2.836 -7.024 7.845 1.00 0.00 C ATOM 0 H THR A 14 4.621 -3.760 8.367 1.00 0.00 H new ATOM 0 HA THR A 14 2.311 -4.743 7.009 1.00 0.00 H new ATOM 0 HB THR A 14 2.691 -5.842 9.614 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.031 -5.724 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.215 -7.910 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.753 -7.096 7.750 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.284 -6.955 6.854 1.00 0.00 H new ATOM 543 N LEU A 15 0.427 -3.709 8.227 1.00 0.00 N ATOM 544 CA LEU A 15 -0.706 -3.114 8.913 1.00 0.00 C ATOM 545 C LEU A 15 -1.960 -3.965 8.733 1.00 0.00 C ATOM 546 O LEU A 15 -2.480 -4.103 7.625 1.00 0.00 O ATOM 547 CB LEU A 15 -0.919 -1.691 8.390 1.00 0.00 C ATOM 548 CG LEU A 15 -2.261 -1.043 8.745 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.603 -1.270 10.212 1.00 0.00 C ATOM 550 CD2 LEU A 15 -2.228 0.443 8.427 1.00 0.00 C ATOM 0 H LEU A 15 0.247 -3.968 7.257 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.499 -3.071 9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.119 -1.059 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.820 -1.705 7.305 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.039 -1.512 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.560 -0.800 10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.668 -2.340 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.826 -0.832 10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.188 0.891 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.437 0.921 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.035 0.583 7.363 1.00 0.00 H new ATOM 562 N GLU A 16 -2.431 -4.543 9.834 1.00 0.00 N ATOM 563 CA GLU A 16 -3.616 -5.391 9.814 1.00 0.00 C ATOM 564 C GLU A 16 -4.891 -4.556 9.863 1.00 0.00 C ATOM 565 O GLU A 16 -5.129 -3.820 10.821 1.00 0.00 O ATOM 566 CB GLU A 16 -3.584 -6.369 10.993 1.00 0.00 C ATOM 567 CG GLU A 16 -4.840 -7.207 11.135 1.00 0.00 C ATOM 568 CD GLU A 16 -4.984 -8.235 10.030 1.00 0.00 C ATOM 569 OE1 GLU A 16 -4.019 -8.989 9.791 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -6.064 -8.285 9.405 1.00 0.00 O ATOM 0 H GLU A 16 -2.007 -4.438 10.756 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.614 -5.953 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.728 -7.033 10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.429 -5.807 11.914 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.826 -7.715 12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.711 -6.552 11.133 1.00 0.00 H new ATOM 577 N VAL A 17 -5.709 -4.679 8.823 1.00 0.00 N ATOM 578 CA VAL A 17 -6.963 -3.941 8.742 1.00 0.00 C ATOM 579 C VAL A 17 -8.050 -4.788 8.091 1.00 0.00 C ATOM 580 O VAL A 17 -7.912 -5.218 6.946 1.00 0.00 O ATOM 581 CB VAL A 17 -6.799 -2.638 7.939 1.00 0.00 C ATOM 582 CG1 VAL A 17 -6.028 -1.602 8.736 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.108 -2.913 6.615 1.00 0.00 C ATOM 0 H VAL A 17 -5.525 -5.284 8.023 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.253 -3.694 9.763 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.792 -2.238 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.926 -0.691 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.565 -1.379 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.039 -1.991 8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.000 -1.981 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.123 -3.341 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.704 -3.615 6.032 1.00 0.00 H new ATOM 593 N GLU A 18 -9.132 -5.025 8.825 1.00 0.00 N ATOM 594 CA GLU A 18 -10.242 -5.821 8.315 1.00 0.00 C ATOM 595 C GLU A 18 -10.800 -5.216 7.028 1.00 0.00 C ATOM 596 O GLU A 18 -10.661 -4.017 6.786 1.00 0.00 O ATOM 597 CB GLU A 18 -11.350 -5.923 9.365 1.00 0.00 C ATOM 598 CG GLU A 18 -11.181 -7.097 10.316 1.00 0.00 C ATOM 599 CD GLU A 18 -12.508 -7.677 10.766 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.449 -7.715 9.945 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -12.606 -8.095 11.939 1.00 0.00 O ATOM 0 H GLU A 18 -9.264 -4.677 9.775 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.867 -6.820 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.378 -4.999 9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.311 -6.011 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.596 -7.875 9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.615 -6.774 11.190 1.00 0.00 H new ATOM 608 N PRO A 19 -11.441 -6.040 6.182 1.00 0.00 N ATOM 609 CA PRO A 19 -12.020 -5.577 4.916 1.00 0.00 C ATOM 610 C PRO A 19 -13.065 -4.488 5.129 1.00 0.00 C ATOM 611 O PRO A 19 -13.295 -3.654 4.253 1.00 0.00 O ATOM 612 CB PRO A 19 -12.668 -6.835 4.324 1.00 0.00 C ATOM 613 CG PRO A 19 -12.799 -7.786 5.466 1.00 0.00 C ATOM 614 CD PRO A 19 -11.656 -7.481 6.390 1.00 0.00 C ATOM 0 HA PRO A 19 -11.267 -5.132 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.641 -6.608 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.053 -7.257 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.756 -7.658 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.757 -8.819 5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.904 -7.707 7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.768 -8.062 6.140 1.00 0.00 H new ATOM 622 N SER A 20 -13.695 -4.499 6.300 1.00 0.00 N ATOM 623 CA SER A 20 -14.714 -3.509 6.628 1.00 0.00 C ATOM 624 C SER A 20 -14.119 -2.375 7.458 1.00 0.00 C ATOM 625 O SER A 20 -14.823 -1.725 8.232 1.00 0.00 O ATOM 626 CB SER A 20 -15.866 -4.165 7.391 1.00 0.00 C ATOM 627 OG SER A 20 -16.467 -5.193 6.623 1.00 0.00 O ATOM 0 H SER A 20 -13.518 -5.182 7.036 1.00 0.00 H new ATOM 0 HA SER A 20 -15.097 -3.093 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.496 -4.577 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.613 -3.413 7.645 1.00 0.00 H new ATOM 0 HG SER A 20 -17.199 -5.597 7.134 1.00 0.00 H new ATOM 633 N ASP A 21 -12.821 -2.142 7.292 1.00 0.00 N ATOM 634 CA ASP A 21 -12.132 -1.087 8.023 1.00 0.00 C ATOM 635 C ASP A 21 -11.968 0.155 7.156 1.00 0.00 C ATOM 636 O ASP A 21 -11.193 0.158 6.198 1.00 0.00 O ATOM 637 CB ASP A 21 -10.763 -1.576 8.497 1.00 0.00 C ATOM 638 CG ASP A 21 -10.355 -0.963 9.822 1.00 0.00 C ATOM 639 OD1 ASP A 21 -11.241 -0.756 10.678 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -9.150 -0.689 10.003 1.00 0.00 O ATOM 0 H ASP A 21 -12.225 -2.672 6.656 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.737 -0.826 8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.782 -2.662 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.014 -1.335 7.743 1.00 0.00 H new ATOM 645 N THR A 22 -12.700 1.211 7.496 1.00 0.00 N ATOM 646 CA THR A 22 -12.633 2.460 6.746 1.00 0.00 C ATOM 647 C THR A 22 -11.208 3.004 6.721 1.00 0.00 C ATOM 648 O THR A 22 -10.378 2.636 7.553 1.00 0.00 O ATOM 649 CB THR A 22 -13.578 3.496 7.355 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.743 3.271 8.743 1.00 0.00 O ATOM 651 CG2 THR A 22 -14.953 3.494 6.723 1.00 0.00 C ATOM 0 H THR A 22 -13.346 1.227 8.285 1.00 0.00 H new ATOM 0 HA THR A 22 -12.942 2.257 5.721 1.00 0.00 H new ATOM 0 HB THR A 22 -13.109 4.462 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.350 3.945 9.114 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.574 4.252 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.865 3.715 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.412 2.514 6.853 1.00 0.00 H new ATOM 659 N ILE A 23 -10.930 3.881 5.762 1.00 0.00 N ATOM 660 CA ILE A 23 -9.604 4.473 5.628 1.00 0.00 C ATOM 661 C ILE A 23 -9.175 5.160 6.921 1.00 0.00 C ATOM 662 O ILE A 23 -8.004 5.123 7.294 1.00 0.00 O ATOM 663 CB ILE A 23 -9.560 5.493 4.471 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.936 4.811 3.153 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.179 6.131 4.369 1.00 0.00 C ATOM 666 CD1 ILE A 23 -8.963 3.734 2.731 1.00 0.00 C ATOM 0 H ILE A 23 -11.605 4.197 5.066 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.912 3.659 5.409 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.284 6.282 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.930 4.374 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.995 5.564 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.169 6.847 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.946 6.645 5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.433 5.357 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.292 3.295 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.972 4.169 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.922 2.960 3.498 1.00 0.00 H new ATOM 678 N GLU A 24 -10.128 5.790 7.599 1.00 0.00 N ATOM 679 CA GLU A 24 -9.842 6.486 8.848 1.00 0.00 C ATOM 680 C GLU A 24 -9.283 5.528 9.895 1.00 0.00 C ATOM 681 O GLU A 24 -8.345 5.864 10.615 1.00 0.00 O ATOM 682 CB GLU A 24 -11.105 7.165 9.381 1.00 0.00 C ATOM 683 CG GLU A 24 -10.822 8.361 10.274 1.00 0.00 C ATOM 684 CD GLU A 24 -12.084 9.089 10.692 1.00 0.00 C ATOM 685 OE1 GLU A 24 -12.800 9.595 9.801 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -12.358 9.152 11.908 1.00 0.00 O ATOM 0 H GLU A 24 -11.104 5.833 7.305 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.089 7.247 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.717 7.488 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.691 6.436 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.288 8.027 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.164 9.054 9.749 1.00 0.00 H new ATOM 693 N ASN A 25 -9.861 4.331 9.971 1.00 0.00 N ATOM 694 CA ASN A 25 -9.411 3.324 10.930 1.00 0.00 C ATOM 695 C ASN A 25 -8.007 2.844 10.580 1.00 0.00 C ATOM 696 O ASN A 25 -7.205 2.513 11.458 1.00 0.00 O ATOM 697 CB ASN A 25 -10.379 2.139 10.951 1.00 0.00 C ATOM 698 CG ASN A 25 -10.233 1.295 12.202 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.430 0.362 12.245 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.010 1.619 13.228 1.00 0.00 N ATOM 0 H ASN A 25 -10.640 4.035 9.382 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.389 3.779 11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.402 2.508 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.205 1.516 10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.956 1.087 14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.661 2.400 13.148 1.00 0.00 H new ATOM 707 N VAL A 26 -7.714 2.825 9.289 1.00 0.00 N ATOM 708 CA VAL A 26 -6.408 2.404 8.804 1.00 0.00 C ATOM 709 C VAL A 26 -5.390 3.496 9.071 1.00 0.00 C ATOM 710 O VAL A 26 -4.388 3.271 9.751 1.00 0.00 O ATOM 711 CB VAL A 26 -6.454 2.077 7.304 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.284 1.187 6.907 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.782 1.418 6.965 1.00 0.00 C ATOM 0 H VAL A 26 -8.367 3.098 8.554 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.117 1.498 9.336 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.368 3.004 6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.338 0.969 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.347 1.699 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.328 0.255 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.812 1.187 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.889 0.498 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.598 2.096 7.212 1.00 0.00 H new ATOM 723 N LYS A 27 -5.679 4.699 8.583 1.00 0.00 N ATOM 724 CA LYS A 27 -4.806 5.835 8.835 1.00 0.00 C ATOM 725 C LYS A 27 -4.681 6.016 10.340 1.00 0.00 C ATOM 726 O LYS A 27 -3.688 6.536 10.846 1.00 0.00 O ATOM 727 CB LYS A 27 -5.368 7.104 8.192 1.00 0.00 C ATOM 728 CG LYS A 27 -5.544 6.994 6.688 1.00 0.00 C ATOM 729 CD LYS A 27 -4.225 6.701 5.995 1.00 0.00 C ATOM 730 CE LYS A 27 -4.379 5.622 4.935 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.956 4.370 5.493 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.502 4.909 8.018 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.825 5.649 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.331 7.336 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.702 7.939 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.259 6.204 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.962 7.923 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.844 7.613 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.488 6.385 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.019 5.990 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.406 5.407 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.573 3.552 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.709 4.292 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.991 4.389 5.391 1.00 0.00 H new ATOM 745 N ALA A 28 -5.706 5.540 11.043 1.00 0.00 N ATOM 746 CA ALA A 28 -5.751 5.589 12.489 1.00 0.00 C ATOM 747 C ALA A 28 -4.601 4.778 13.066 1.00 0.00 C ATOM 748 O ALA A 28 -3.763 5.298 13.804 1.00 0.00 O ATOM 749 CB ALA A 28 -7.086 5.039 12.967 1.00 0.00 C ATOM 0 H ALA A 28 -6.527 5.110 10.618 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.650 6.620 12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.125 5.074 14.056 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.896 5.641 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.195 4.007 12.633 1.00 0.00 H new ATOM 755 N LYS A 29 -4.558 3.498 12.702 1.00 0.00 N ATOM 756 CA LYS A 29 -3.501 2.610 13.162 1.00 0.00 C ATOM 757 C LYS A 29 -2.142 3.130 12.705 1.00 0.00 C ATOM 758 O LYS A 29 -1.160 3.071 13.446 1.00 0.00 O ATOM 759 CB LYS A 29 -3.725 1.192 12.633 1.00 0.00 C ATOM 760 CG LYS A 29 -4.975 0.528 13.183 1.00 0.00 C ATOM 761 CD LYS A 29 -5.188 -0.849 12.576 1.00 0.00 C ATOM 762 CE LYS A 29 -6.664 -1.201 12.497 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.101 -2.033 13.651 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.244 3.056 12.090 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.522 2.582 14.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.790 1.225 11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.859 0.579 12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.895 0.441 14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.842 1.156 12.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.752 -0.879 11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.666 -1.596 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.254 -0.285 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.860 -1.737 11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.114 -2.251 13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.556 -2.919 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.939 -1.512 14.536 1.00 0.00 H new ATOM 777 N ILE A 30 -2.098 3.653 11.481 1.00 0.00 N ATOM 778 CA ILE A 30 -0.865 4.199 10.927 1.00 0.00 C ATOM 779 C ILE A 30 -0.436 5.440 11.702 1.00 0.00 C ATOM 780 O ILE A 30 0.754 5.732 11.822 1.00 0.00 O ATOM 781 CB ILE A 30 -1.027 4.559 9.432 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.415 3.318 8.629 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.259 5.164 8.884 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.829 3.622 7.205 1.00 0.00 C ATOM 0 H ILE A 30 -2.902 3.709 10.856 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.099 3.429 11.017 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.822 5.299 9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.572 2.627 8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.235 2.809 9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.125 5.411 7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.501 6.069 9.441 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.072 4.446 8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.090 2.694 6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.692 4.288 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.003 4.103 6.681 1.00 0.00 H new ATOM 796 N GLN A 31 -1.418 6.164 12.227 1.00 0.00 N ATOM 797 CA GLN A 31 -1.156 7.373 12.996 1.00 0.00 C ATOM 798 C GLN A 31 -0.552 7.031 14.354 1.00 0.00 C ATOM 799 O GLN A 31 0.360 7.707 14.827 1.00 0.00 O ATOM 800 CB GLN A 31 -2.451 8.170 13.181 1.00 0.00 C ATOM 801 CG GLN A 31 -2.296 9.393 14.072 1.00 0.00 C ATOM 802 CD GLN A 31 -3.626 10.033 14.419 1.00 0.00 C ATOM 803 OE1 GLN A 31 -4.652 9.358 14.494 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.613 11.345 14.633 1.00 0.00 N ATOM 0 H GLN A 31 -2.407 5.933 12.133 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.439 7.982 12.445 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.814 8.488 12.204 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.212 7.516 13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.784 9.106 14.991 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.664 10.126 13.570 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.739 11.865 14.560 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.477 11.832 14.870 1.00 0.00 H new ATOM 813 N ASP A 32 -1.069 5.978 14.977 1.00 0.00 N ATOM 814 CA ASP A 32 -0.582 5.548 16.284 1.00 0.00 C ATOM 815 C ASP A 32 0.619 4.613 16.152 1.00 0.00 C ATOM 816 O ASP A 32 1.337 4.375 17.126 1.00 0.00 O ATOM 817 CB ASP A 32 -1.700 4.849 17.060 1.00 0.00 C ATOM 818 CG ASP A 32 -1.567 5.037 18.559 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.482 4.738 19.101 1.00 0.00 O ATOM 820 OD2 ASP A 32 -2.547 5.484 19.192 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.825 5.406 14.599 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.263 6.437 16.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.664 5.237 16.732 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.689 3.784 16.828 1.00 0.00 H new ATOM 825 N LYS A 33 0.835 4.082 14.952 1.00 0.00 N ATOM 826 CA LYS A 33 1.950 3.171 14.712 1.00 0.00 C ATOM 827 C LYS A 33 3.189 3.926 14.237 1.00 0.00 C ATOM 828 O LYS A 33 4.316 3.555 14.567 1.00 0.00 O ATOM 829 CB LYS A 33 1.559 2.114 13.676 1.00 0.00 C ATOM 830 CG LYS A 33 0.786 0.945 14.264 1.00 0.00 C ATOM 831 CD LYS A 33 0.977 -0.319 13.446 1.00 0.00 C ATOM 832 CE LYS A 33 -0.250 -0.631 12.604 1.00 0.00 C ATOM 833 NZ LYS A 33 -1.207 -1.515 13.325 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.255 4.266 14.133 1.00 0.00 H new ATOM 0 HA LYS A 33 2.188 2.680 15.656 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.956 2.584 12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.462 1.737 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.114 0.769 15.288 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.274 1.194 14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.845 -0.205 12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.184 -1.156 14.112 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.749 0.299 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.059 -1.111 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.805 -2.014 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.679 -2.209 13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.806 -0.940 13.952 1.00 0.00 H new ATOM 847 N GLU A 34 2.976 4.980 13.456 1.00 0.00 N ATOM 848 CA GLU A 34 4.081 5.775 12.933 1.00 0.00 C ATOM 849 C GLU A 34 4.091 7.178 13.537 1.00 0.00 C ATOM 850 O GLU A 34 5.144 7.806 13.645 1.00 0.00 O ATOM 851 CB GLU A 34 3.993 5.863 11.407 1.00 0.00 C ATOM 852 CG GLU A 34 4.840 4.825 10.689 1.00 0.00 C ATOM 853 CD GLU A 34 6.076 5.424 10.045 1.00 0.00 C ATOM 854 OE1 GLU A 34 5.953 6.488 9.402 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 7.166 4.829 10.184 1.00 0.00 O ATOM 0 H GLU A 34 2.051 5.303 13.172 1.00 0.00 H new ATOM 0 HA GLU A 34 5.011 5.280 13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.953 5.744 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.306 6.858 11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.142 4.054 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.237 4.336 9.924 1.00 0.00 H new ATOM 862 N GLY A 35 2.918 7.665 13.925 1.00 0.00 N ATOM 863 CA GLY A 35 2.825 8.991 14.509 1.00 0.00 C ATOM 864 C GLY A 35 2.458 10.048 13.485 1.00 0.00 C ATOM 865 O GLY A 35 2.864 11.203 13.603 1.00 0.00 O ATOM 0 H GLY A 35 2.031 7.167 13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.079 8.984 15.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.778 9.250 14.969 1.00 0.00 H new ATOM 869 N ILE A 36 1.690 9.647 12.477 1.00 0.00 N ATOM 870 CA ILE A 36 1.269 10.566 11.424 1.00 0.00 C ATOM 871 C ILE A 36 -0.253 10.613 11.308 1.00 0.00 C ATOM 872 O ILE A 36 -0.876 9.657 10.843 1.00 0.00 O ATOM 873 CB ILE A 36 1.861 10.159 10.061 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.358 9.878 10.192 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.610 11.247 9.029 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.972 9.280 8.946 1.00 0.00 C ATOM 0 H ILE A 36 1.347 8.693 12.367 1.00 0.00 H new ATOM 0 HA ILE A 36 1.640 11.554 11.698 1.00 0.00 H new ATOM 0 HB ILE A 36 1.368 9.246 9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.874 10.808 10.431 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.520 9.199 11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.034 10.945 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.537 11.402 8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.079 12.175 9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.035 9.107 9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.482 8.334 8.717 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.842 9.968 8.110 1.00 0.00 H new ATOM 888 N PRO A 37 -0.880 11.726 11.731 1.00 0.00 N ATOM 889 CA PRO A 37 -2.337 11.884 11.667 1.00 0.00 C ATOM 890 C PRO A 37 -2.893 11.579 10.277 1.00 0.00 C ATOM 891 O PRO A 37 -2.194 11.730 9.275 1.00 0.00 O ATOM 892 CB PRO A 37 -2.554 13.357 12.019 1.00 0.00 C ATOM 893 CG PRO A 37 -1.368 13.727 12.841 1.00 0.00 C ATOM 894 CD PRO A 37 -0.221 12.918 12.301 1.00 0.00 C ATOM 0 HA PRO A 37 -2.850 11.194 12.337 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.622 13.973 11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.481 13.499 12.574 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.161 14.795 12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.539 13.506 13.895 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.338 13.469 11.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.486 12.649 13.086 1.00 0.00 H new ATOM 902 N PRO A 38 -4.162 11.146 10.199 1.00 0.00 N ATOM 903 CA PRO A 38 -4.809 10.822 8.923 1.00 0.00 C ATOM 904 C PRO A 38 -4.708 11.963 7.916 1.00 0.00 C ATOM 905 O PRO A 38 -4.230 11.775 6.797 1.00 0.00 O ATOM 906 CB PRO A 38 -6.270 10.582 9.312 1.00 0.00 C ATOM 907 CG PRO A 38 -6.220 10.183 10.747 1.00 0.00 C ATOM 908 CD PRO A 38 -5.067 10.939 11.346 1.00 0.00 C ATOM 0 HA PRO A 38 -4.339 9.968 8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.870 11.481 9.172 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.719 9.801 8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.153 10.429 11.253 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.076 9.107 10.848 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.389 11.886 11.780 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.584 10.372 12.142 1.00 0.00 H new ATOM 916 N ASP A 39 -5.161 13.145 8.320 1.00 0.00 N ATOM 917 CA ASP A 39 -5.122 14.316 7.453 1.00 0.00 C ATOM 918 C ASP A 39 -3.690 14.642 7.038 1.00 0.00 C ATOM 919 O ASP A 39 -3.454 15.180 5.956 1.00 0.00 O ATOM 920 CB ASP A 39 -5.746 15.521 8.159 1.00 0.00 C ATOM 921 CG ASP A 39 -7.146 15.232 8.665 1.00 0.00 C ATOM 922 OD1 ASP A 39 -7.332 14.199 9.341 1.00 0.00 O ATOM 923 OD2 ASP A 39 -8.057 16.040 8.384 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.560 13.317 9.243 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.698 14.090 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.113 15.816 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.778 16.366 7.471 1.00 0.00 H new ATOM 928 N GLN A 40 -2.738 14.313 7.906 1.00 0.00 N ATOM 929 CA GLN A 40 -1.329 14.571 7.629 1.00 0.00 C ATOM 930 C GLN A 40 -0.880 13.847 6.364 1.00 0.00 C ATOM 931 O GLN A 40 -0.341 14.461 5.443 1.00 0.00 O ATOM 932 CB GLN A 40 -0.467 14.135 8.814 1.00 0.00 C ATOM 933 CG GLN A 40 0.727 15.043 9.066 1.00 0.00 C ATOM 934 CD GLN A 40 2.006 14.504 8.459 1.00 0.00 C ATOM 935 OE1 GLN A 40 2.080 14.255 7.256 1.00 0.00 O ATOM 936 NE2 GLN A 40 3.025 14.320 9.291 1.00 0.00 N ATOM 0 H GLN A 40 -2.916 13.868 8.806 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.206 15.643 7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.086 14.105 9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.110 13.120 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.521 16.031 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.863 15.168 10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.921 14.540 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.912 13.959 8.939 1.00 0.00 H new ATOM 945 N GLN A 41 -1.102 12.537 6.327 1.00 0.00 N ATOM 946 CA GLN A 41 -0.717 11.731 5.176 1.00 0.00 C ATOM 947 C GLN A 41 -1.927 11.032 4.563 1.00 0.00 C ATOM 948 O GLN A 41 -2.758 10.467 5.275 1.00 0.00 O ATOM 949 CB GLN A 41 0.336 10.699 5.583 1.00 0.00 C ATOM 950 CG GLN A 41 -0.106 9.778 6.710 1.00 0.00 C ATOM 951 CD GLN A 41 -0.847 8.551 6.215 1.00 0.00 C ATOM 952 OE1 GLN A 41 -1.205 8.457 5.042 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.082 7.602 7.115 1.00 0.00 N ATOM 0 H GLN A 41 -1.546 12.012 7.080 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.293 12.397 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.593 10.095 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.243 11.221 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.769 9.463 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.748 10.332 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.767 7.723 8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.578 6.753 6.843 1.00 0.00 H new ATOM 962 N ARG A 42 -2.014 11.070 3.237 1.00 0.00 N ATOM 963 CA ARG A 42 -3.117 10.439 2.521 1.00 0.00 C ATOM 964 C ARG A 42 -2.702 9.070 1.991 1.00 0.00 C ATOM 965 O ARG A 42 -1.583 8.617 2.231 1.00 0.00 O ATOM 966 CB ARG A 42 -3.577 11.329 1.365 1.00 0.00 C ATOM 967 CG ARG A 42 -4.418 12.515 1.808 1.00 0.00 C ATOM 968 CD ARG A 42 -4.156 13.738 0.944 1.00 0.00 C ATOM 969 NE ARG A 42 -5.049 13.793 -0.212 1.00 0.00 N ATOM 970 CZ ARG A 42 -6.315 14.196 -0.152 1.00 0.00 C ATOM 971 NH1 ARG A 42 -6.843 14.580 1.004 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -7.058 14.216 -1.251 1.00 0.00 N ATOM 0 H ARG A 42 -1.332 11.532 2.636 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.945 10.306 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.702 11.695 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.153 10.728 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.475 12.252 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.198 12.750 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.283 14.639 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.121 13.726 0.602 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.679 13.505 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.277 14.567 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.815 14.888 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.658 13.922 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.029 14.525 -1.205 1.00 0.00 H new ATOM 986 N LEU A 43 -3.608 8.415 1.272 1.00 0.00 N ATOM 987 CA LEU A 43 -3.325 7.097 0.714 1.00 0.00 C ATOM 988 C LEU A 43 -4.001 6.916 -0.642 1.00 0.00 C ATOM 989 O LEU A 43 -5.017 7.548 -0.931 1.00 0.00 O ATOM 990 CB LEU A 43 -3.785 6.003 1.679 1.00 0.00 C ATOM 991 CG LEU A 43 -2.931 4.739 1.679 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.775 4.892 2.645 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.773 3.527 2.042 1.00 0.00 C ATOM 0 H LEU A 43 -4.540 8.773 1.063 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.247 7.017 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.799 6.413 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.811 5.730 1.432 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.530 4.588 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.172 3.984 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.159 5.739 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.161 5.063 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.147 2.635 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.200 3.665 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.576 3.411 1.314 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.427 6.046 -1.468 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.966 5.774 -2.794 1.00 0.00 C ATOM 1007 C ILE A 44 -3.754 4.314 -3.181 1.00 0.00 C ATOM 1008 O ILE A 44 -2.814 3.667 -2.715 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.318 6.674 -3.863 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.344 8.136 -3.417 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -4.030 6.509 -5.198 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.188 8.515 -2.517 1.00 0.00 C ATOM 0 H ILE A 44 -2.586 5.516 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.034 5.988 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.278 6.371 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.332 8.777 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.280 8.331 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.560 7.152 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.962 5.470 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.078 6.787 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.272 9.566 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.210 7.900 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.248 8.352 -3.044 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.634 3.801 -4.035 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.545 2.418 -4.487 1.00 0.00 C ATOM 1026 C PHE A 45 -5.357 2.208 -5.761 1.00 0.00 C ATOM 1027 O PHE A 45 -6.477 2.703 -5.885 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.040 1.471 -3.392 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.573 0.054 -3.568 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.222 -0.246 -3.589 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.488 -0.977 -3.713 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -2.789 -1.549 -3.751 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.062 -2.282 -3.875 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.710 -2.568 -3.894 1.00 0.00 C ATOM 0 H PHE A 45 -5.417 4.323 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.500 2.199 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.701 1.839 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.130 1.486 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.497 0.547 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.546 -0.758 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.732 -1.770 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.785 -3.077 -3.987 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.374 -3.587 -4.020 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.782 1.471 -6.707 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.452 1.194 -7.973 1.00 0.00 C ATOM 1046 C ALA A 46 -5.826 2.487 -8.692 1.00 0.00 C ATOM 1047 O ALA A 46 -6.862 2.565 -9.352 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.690 0.342 -7.740 1.00 0.00 C ATOM 0 H ALA A 46 -3.855 1.055 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.759 0.643 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.180 0.143 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.401 -0.601 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.378 0.873 -7.082 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.974 3.499 -8.559 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.234 4.775 -9.200 1.00 0.00 C ATOM 1056 C GLY A 47 -6.458 5.469 -8.636 1.00 0.00 C ATOM 1057 O GLY A 47 -7.103 6.261 -9.323 1.00 0.00 O ATOM 0 H GLY A 47 -4.109 3.458 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.365 5.422 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.369 4.619 -10.270 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.779 5.173 -7.380 1.00 0.00 N ATOM 1062 CA LYS A 48 -7.934 5.775 -6.723 1.00 0.00 C ATOM 1063 C LYS A 48 -7.540 6.385 -5.382 1.00 0.00 C ATOM 1064 O LYS A 48 -6.969 5.710 -4.525 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.031 4.730 -6.518 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.297 3.877 -7.747 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.768 3.512 -7.866 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.966 2.264 -8.711 1.00 0.00 C ATOM 1069 NZ LYS A 48 -12.261 2.292 -9.446 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.255 4.520 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.314 6.569 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.752 4.080 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.953 5.235 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.982 4.416 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.699 2.967 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.185 3.350 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.316 4.344 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.146 2.174 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.931 1.382 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.359 1.424 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.045 2.353 -8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.285 3.119 -10.076 1.00 0.00 H new ATOM 1083 N GLN A 49 -7.848 7.666 -5.208 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.525 8.369 -3.972 1.00 0.00 C ATOM 1085 C GLN A 49 -8.367 7.845 -2.813 1.00 0.00 C ATOM 1086 O GLN A 49 -9.576 8.069 -2.760 1.00 0.00 O ATOM 1087 CB GLN A 49 -7.749 9.872 -4.141 1.00 0.00 C ATOM 1088 CG GLN A 49 -6.541 10.613 -4.642 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.834 11.471 -5.858 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -7.691 12.354 -5.817 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.121 11.215 -6.949 1.00 0.00 N ATOM 0 H GLN A 49 -8.321 8.238 -5.907 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.474 8.189 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.575 10.031 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.052 10.295 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.152 11.245 -3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.759 9.896 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.421 10.473 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.274 11.760 -7.798 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.718 7.148 -1.884 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.406 6.593 -0.726 1.00 0.00 C ATOM 1102 C LEU A 50 -8.979 7.705 0.150 1.00 0.00 C ATOM 1103 O LEU A 50 -8.235 8.485 0.745 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.449 5.723 0.093 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.545 4.220 -0.178 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.347 3.924 -1.656 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.532 3.465 0.661 1.00 0.00 C ATOM 0 H LEU A 50 -6.717 6.955 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.230 5.976 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.428 6.048 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.639 5.898 1.152 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.543 3.884 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.419 2.850 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.116 4.435 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.364 4.275 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.613 2.397 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.527 3.806 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.726 3.648 1.718 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.304 7.771 0.222 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.976 8.787 1.025 1.00 0.00 C ATOM 1121 C GLU A 51 -10.778 8.521 2.515 1.00 0.00 C ATOM 1122 O GLU A 51 -9.932 7.717 2.905 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.470 8.822 0.689 1.00 0.00 C ATOM 1124 CG GLU A 51 -12.926 10.141 0.086 1.00 0.00 C ATOM 1125 CD GLU A 51 -14.217 10.008 -0.697 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -14.178 9.462 -1.819 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -15.269 10.450 -0.187 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.934 7.134 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.536 9.756 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.696 8.015 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.043 8.629 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.062 10.873 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.145 10.526 -0.570 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.563 9.204 3.343 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.473 9.041 4.790 1.00 0.00 C ATOM 1136 C ASP A 52 -12.662 8.248 5.322 1.00 0.00 C ATOM 1137 O ASP A 52 -13.094 8.444 6.458 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.408 10.408 5.475 1.00 0.00 C ATOM 1139 CG ASP A 52 -10.492 10.406 6.682 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -10.828 9.738 7.682 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -9.438 11.074 6.628 1.00 0.00 O ATOM 0 H ASP A 52 -12.268 9.875 3.037 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.561 8.487 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.061 11.154 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.410 10.705 5.783 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.187 7.351 4.494 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.321 6.540 4.899 1.00 0.00 C ATOM 1148 C GLY A 53 -14.596 5.405 3.932 1.00 0.00 C ATOM 1149 O GLY A 53 -15.745 5.007 3.743 1.00 0.00 O ATOM 0 H GLY A 53 -12.847 7.171 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.135 6.130 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.206 7.171 4.975 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.539 4.885 3.318 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.669 3.790 2.364 1.00 0.00 C ATOM 1155 C ARG A 54 -13.098 2.497 2.939 1.00 0.00 C ATOM 1156 O ARG A 54 -12.113 2.515 3.675 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.957 4.138 1.055 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.720 5.131 0.193 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.122 4.635 -0.120 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.761 5.426 -1.167 1.00 0.00 N ATOM 1161 CZ ARG A 54 -17.074 5.438 -1.391 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.888 4.704 -0.643 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -17.574 6.187 -2.365 1.00 0.00 N ATOM 0 H ARG A 54 -12.581 5.205 3.464 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.730 3.640 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.974 4.549 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.795 3.223 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.779 6.091 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.177 5.300 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.076 3.591 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.730 4.672 0.784 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.167 6.004 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.509 4.127 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.893 4.717 -0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.953 6.754 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.579 6.196 -2.536 1.00 0.00 H new ATOM 1177 N THR A 55 -13.726 1.376 2.597 1.00 0.00 N ATOM 1178 CA THR A 55 -13.281 0.074 3.080 1.00 0.00 C ATOM 1179 C THR A 55 -12.519 -0.680 1.995 1.00 0.00 C ATOM 1180 O THR A 55 -12.812 -0.545 0.807 1.00 0.00 O ATOM 1181 CB THR A 55 -14.477 -0.754 3.548 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.627 -0.455 2.777 1.00 0.00 O ATOM 1183 CG2 THR A 55 -14.829 -0.529 5.002 1.00 0.00 C ATOM 0 H THR A 55 -14.544 1.343 1.988 1.00 0.00 H new ATOM 0 HA THR A 55 -12.608 0.238 3.922 1.00 0.00 H new ATOM 0 HB THR A 55 -14.175 -1.794 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.381 -0.996 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.686 -1.147 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.979 -0.799 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.076 0.521 5.158 1.00 0.00 H new ATOM 1191 N LEU A 56 -11.537 -1.477 2.412 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.731 -2.256 1.479 1.00 0.00 C ATOM 1193 C LEU A 56 -11.609 -3.154 0.615 1.00 0.00 C ATOM 1194 O LEU A 56 -11.301 -3.404 -0.550 1.00 0.00 O ATOM 1195 CB LEU A 56 -9.709 -3.099 2.242 1.00 0.00 C ATOM 1196 CG LEU A 56 -8.592 -2.298 2.914 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.988 -1.907 4.321 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -7.299 -3.089 2.958 1.00 0.00 C ATOM 0 H LEU A 56 -11.281 -1.599 3.392 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.204 -1.562 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.232 -3.677 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.260 -3.814 1.552 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.433 -1.398 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.180 -1.338 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.890 -1.296 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.180 -2.805 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.524 -2.493 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.454 -4.009 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.988 -3.334 1.943 1.00 0.00 H new ATOM 1210 N SER A 57 -12.705 -3.635 1.192 1.00 0.00 N ATOM 1211 CA SER A 57 -13.630 -4.502 0.471 1.00 0.00 C ATOM 1212 C SER A 57 -14.145 -3.813 -0.790 1.00 0.00 C ATOM 1213 O SER A 57 -14.493 -4.471 -1.771 1.00 0.00 O ATOM 1214 CB SER A 57 -14.802 -4.895 1.370 1.00 0.00 C ATOM 1215 OG SER A 57 -15.841 -5.500 0.621 1.00 0.00 O ATOM 0 H SER A 57 -12.974 -3.439 2.156 1.00 0.00 H new ATOM 0 HA SER A 57 -13.093 -5.404 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.457 -5.584 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.185 -4.011 1.880 1.00 0.00 H new ATOM 0 HG SER A 57 -16.577 -5.743 1.220 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.187 -2.484 -0.756 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.654 -1.704 -1.895 1.00 0.00 C ATOM 1223 C ASP A 58 -13.496 -1.360 -2.827 1.00 0.00 C ATOM 1224 O ASP A 58 -13.628 -1.428 -4.049 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.338 -0.423 -1.417 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.822 -0.615 -1.174 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -17.584 -0.659 -2.161 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -17.221 -0.723 0.005 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.903 -1.926 0.049 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.375 -2.307 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.863 -0.083 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.193 0.362 -2.160 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.359 -0.993 -2.241 1.00 0.00 N ATOM 1234 CA TYR A 59 -11.177 -0.641 -3.020 1.00 0.00 C ATOM 1235 C TYR A 59 -10.491 -1.888 -3.576 1.00 0.00 C ATOM 1236 O TYR A 59 -9.606 -1.790 -4.426 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.196 0.157 -2.160 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.396 1.654 -2.246 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.495 2.291 -3.476 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.489 2.429 -1.097 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.679 3.658 -3.559 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.674 3.796 -1.171 1.00 0.00 C ATOM 1243 CZ TYR A 59 -10.768 4.405 -2.404 1.00 0.00 C ATOM 1244 OH TYR A 59 -10.953 5.767 -2.484 1.00 0.00 O ATOM 0 H TYR A 59 -12.232 -0.932 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.499 -0.026 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.299 -0.156 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.178 -0.084 -2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.427 1.708 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.415 1.955 -0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.753 4.138 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.745 4.384 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.422 6.126 -3.225 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.905 -3.059 -3.096 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.331 -4.323 -3.549 1.00 0.00 C ATOM 1256 C ASN A 60 -8.895 -4.483 -3.061 1.00 0.00 C ATOM 1257 O ASN A 60 -8.033 -4.975 -3.790 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.377 -4.415 -5.078 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.730 -4.025 -5.640 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.972 -2.858 -5.953 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -12.621 -5.000 -5.773 1.00 0.00 N ATOM 0 H ASN A 60 -11.637 -3.158 -2.392 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.928 -5.130 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.610 -3.766 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.139 -5.433 -5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.548 -4.796 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.379 -5.953 -5.501 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.643 -4.069 -1.823 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.309 -4.176 -1.243 1.00 0.00 C ATOM 1270 C ILE A 61 -7.110 -5.541 -0.589 1.00 0.00 C ATOM 1271 O ILE A 61 -7.556 -5.773 0.534 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.050 -3.069 -0.202 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.348 -1.694 -0.800 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.611 -3.135 0.291 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.407 -0.588 0.231 1.00 0.00 C ATOM 0 H ILE A 61 -9.342 -3.658 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.597 -4.057 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.715 -3.227 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.582 -1.453 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.299 -1.736 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.442 -2.348 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.428 -4.106 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.932 -2.998 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.622 0.359 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.193 -0.806 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.449 -0.519 0.746 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.442 -6.441 -1.305 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.187 -7.787 -0.802 1.00 0.00 C ATOM 1289 C GLN A 62 -5.222 -7.759 0.380 1.00 0.00 C ATOM 1290 O GLN A 62 -4.894 -6.694 0.904 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.624 -8.670 -1.919 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.622 -9.687 -2.451 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.118 -10.633 -1.376 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -8.021 -10.299 -0.609 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -6.530 -11.822 -1.315 1.00 0.00 N ATOM 0 H GLN A 62 -6.067 -6.262 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.133 -8.204 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.292 -8.035 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.745 -9.196 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.471 -9.163 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.157 -10.263 -3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.785 -12.057 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.823 -12.500 -0.612 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.771 -8.940 0.796 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.844 -9.055 1.917 1.00 0.00 C ATOM 1306 C LYS A 63 -2.407 -8.817 1.464 1.00 0.00 C ATOM 1307 O LYS A 63 -2.071 -9.013 0.297 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.968 -10.436 2.568 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.473 -11.573 1.688 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.221 -12.864 1.973 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.707 -12.725 1.686 1.00 0.00 C ATOM 1312 NZ LYS A 63 -6.501 -12.551 2.933 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.033 -9.830 0.373 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.103 -8.291 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.406 -10.440 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.012 -10.615 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.597 -11.303 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.406 -11.725 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.806 -13.667 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.076 -13.146 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.871 -11.871 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.058 -13.609 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.040 -13.420 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.860 -12.357 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.159 -11.754 2.817 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.563 -8.391 2.400 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.157 -8.121 2.109 1.00 0.00 C ATOM 1328 C GLU A 64 -0.007 -7.260 0.857 1.00 0.00 C ATOM 1329 O GLU A 64 1.006 -7.331 0.161 1.00 0.00 O ATOM 1330 CB GLU A 64 0.614 -9.431 1.937 1.00 0.00 C ATOM 1331 CG GLU A 64 0.945 -10.118 3.250 1.00 0.00 C ATOM 1332 CD GLU A 64 1.764 -11.380 3.057 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.953 -11.266 2.690 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.217 -12.482 3.273 1.00 0.00 O ATOM 0 H GLU A 64 -1.829 -8.225 3.370 1.00 0.00 H new ATOM 0 HA GLU A 64 0.258 -7.571 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.027 -10.110 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.540 -9.230 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.494 -9.427 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.019 -10.366 3.770 1.00 0.00 H new ATOM 1341 N SER A 65 -1.020 -6.447 0.578 1.00 0.00 N ATOM 1342 CA SER A 65 -0.997 -5.572 -0.588 1.00 0.00 C ATOM 1343 C SER A 65 -0.064 -4.390 -0.352 1.00 0.00 C ATOM 1344 O SER A 65 0.562 -4.282 0.703 1.00 0.00 O ATOM 1345 CB SER A 65 -2.407 -5.070 -0.906 1.00 0.00 C ATOM 1346 OG SER A 65 -3.332 -6.142 -0.953 1.00 0.00 O ATOM 0 H SER A 65 -1.866 -6.376 1.143 1.00 0.00 H new ATOM 0 HA SER A 65 -0.627 -6.145 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.719 -4.349 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.403 -4.547 -1.862 1.00 0.00 H new ATOM 0 HG SER A 65 -4.157 -5.883 -0.492 1.00 0.00 H new ATOM 1352 N THR A 66 0.025 -3.504 -1.338 1.00 0.00 N ATOM 1353 CA THR A 66 0.884 -2.331 -1.230 1.00 0.00 C ATOM 1354 C THR A 66 0.080 -1.048 -1.394 1.00 0.00 C ATOM 1355 O THR A 66 -0.236 -0.638 -2.512 1.00 0.00 O ATOM 1356 CB THR A 66 2.006 -2.390 -2.270 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.793 -3.452 -3.183 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.373 -2.582 -1.652 1.00 0.00 C ATOM 0 H THR A 66 -0.485 -3.575 -2.218 1.00 0.00 H new ATOM 0 HA THR A 66 1.328 -2.330 -0.235 1.00 0.00 H new ATOM 0 HB THR A 66 1.982 -1.427 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.521 -3.470 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.127 -2.616 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.588 -1.752 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.391 -3.517 -1.092 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.245 -0.415 -0.273 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.011 0.827 -0.290 1.00 0.00 C ATOM 1368 C LEU A 67 -0.076 2.030 -0.371 1.00 0.00 C ATOM 1369 O LEU A 67 0.842 2.170 0.437 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.895 0.925 0.958 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.242 0.208 0.861 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.116 0.537 2.062 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.956 0.567 -0.434 1.00 0.00 C ATOM 0 H LEU A 67 0.010 -0.741 0.659 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.651 0.825 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.345 0.517 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.077 1.978 1.173 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.052 -0.865 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.069 0.016 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.614 0.219 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.292 1.612 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.912 0.045 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.129 1.643 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.340 0.271 -1.283 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.313 2.894 -1.354 1.00 0.00 N ATOM 1386 CA HIS A 68 0.515 4.081 -1.541 1.00 0.00 C ATOM 1387 C HIS A 68 0.163 5.159 -0.522 1.00 0.00 C ATOM 1388 O HIS A 68 -0.963 5.647 -0.488 1.00 0.00 O ATOM 1389 CB HIS A 68 0.345 4.628 -2.960 1.00 0.00 C ATOM 1390 CG HIS A 68 0.408 3.573 -4.021 1.00 0.00 C ATOM 1391 ND1 HIS A 68 -0.657 2.757 -4.335 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.419 3.204 -4.842 1.00 0.00 C ATOM 1393 CE1 HIS A 68 -0.304 1.930 -5.304 1.00 0.00 C ATOM 1394 NE2 HIS A 68 0.949 2.181 -5.629 1.00 0.00 N ATOM 0 H HIS A 68 -1.069 2.795 -2.031 1.00 0.00 H new ATOM 0 HA HIS A 68 1.556 3.794 -1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.613 5.144 -3.029 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.121 5.369 -3.150 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.574 2.786 -3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.409 3.633 -4.873 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.935 1.177 -5.753 1.00 0.00 H new ATOM 1403 N LEU A 69 1.137 5.526 0.304 1.00 0.00 N ATOM 1404 CA LEU A 69 0.930 6.548 1.323 1.00 0.00 C ATOM 1405 C LEU A 69 1.573 7.867 0.908 1.00 0.00 C ATOM 1406 O LEU A 69 2.707 7.894 0.431 1.00 0.00 O ATOM 1407 CB LEU A 69 1.506 6.085 2.664 1.00 0.00 C ATOM 1408 CG LEU A 69 0.981 6.834 3.886 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.955 5.923 5.104 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.841 8.049 4.148 1.00 0.00 C ATOM 0 H LEU A 69 2.077 5.131 0.288 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.143 6.706 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.291 5.024 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.591 6.189 2.631 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.040 7.160 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.578 6.476 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.305 5.071 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.964 5.568 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.463 8.581 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.869 7.735 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.813 8.709 3.281 1.00 0.00 H new ATOM 1422 N VAL A 70 0.840 8.961 1.094 1.00 0.00 N ATOM 1423 CA VAL A 70 1.336 10.285 0.739 1.00 0.00 C ATOM 1424 C VAL A 70 1.466 11.171 1.973 1.00 0.00 C ATOM 1425 O VAL A 70 0.482 11.729 2.455 1.00 0.00 O ATOM 1426 CB VAL A 70 0.409 10.976 -0.280 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.001 12.302 -0.735 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.152 10.064 -1.470 1.00 0.00 C ATOM 0 H VAL A 70 -0.100 8.956 1.489 1.00 0.00 H new ATOM 0 HA VAL A 70 2.319 10.146 0.289 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.544 11.181 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.330 12.772 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.128 12.958 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.969 12.126 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.504 10.568 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.098 9.826 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.322 9.144 -1.128 1.00 0.00 H new ATOM 1438 N LEU A 71 2.690 11.296 2.479 1.00 0.00 N ATOM 1439 CA LEU A 71 2.948 12.115 3.657 1.00 0.00 C ATOM 1440 C LEU A 71 3.043 13.591 3.285 1.00 0.00 C ATOM 1441 O LEU A 71 3.976 14.009 2.597 1.00 0.00 O ATOM 1442 CB LEU A 71 4.240 11.667 4.345 1.00 0.00 C ATOM 1443 CG LEU A 71 4.428 10.151 4.446 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.905 9.794 4.421 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.771 9.617 5.711 1.00 0.00 C ATOM 0 H LEU A 71 3.517 10.841 2.092 1.00 0.00 H new ATOM 0 HA LEU A 71 2.114 11.985 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.087 12.088 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.264 12.089 5.350 1.00 0.00 H new ATOM 0 HG LEU A 71 3.948 9.686 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.019 8.712 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.348 10.144 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.409 10.269 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.914 8.538 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.223 10.089 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.705 9.841 5.690 1.00 0.00 H new ATOM 1457 N ARG A 72 2.073 14.377 3.741 1.00 0.00 N ATOM 1458 CA ARG A 72 2.050 15.807 3.454 1.00 0.00 C ATOM 1459 C ARG A 72 3.128 16.538 4.247 1.00 0.00 C ATOM 1460 O ARG A 72 2.907 16.944 5.386 1.00 0.00 O ATOM 1461 CB ARG A 72 0.675 16.392 3.782 1.00 0.00 C ATOM 1462 CG ARG A 72 0.377 17.692 3.051 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.460 18.631 3.905 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.386 19.423 3.100 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.005 20.384 2.262 1.00 0.00 C ATOM 1466 NH1 ARG A 72 0.282 20.675 2.116 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -1.913 21.056 1.566 1.00 0.00 N ATOM 0 H ARG A 72 1.293 14.048 4.310 1.00 0.00 H new ATOM 0 HA ARG A 72 2.251 15.942 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.092 15.659 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.610 16.566 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.313 18.181 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.150 17.476 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.021 18.051 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.198 19.298 4.462 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.384 19.228 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.985 20.161 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.568 21.413 1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.903 20.836 1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.621 21.793 0.924 1.00 0.00 H new