USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= 0.608 (180deg=0.456) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.157 K(o=0.16,f=-1.5!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.836 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot -61:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0.313 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.29) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0516 X(o=0.052,f=-0.0035) USER MOD Single : A 83 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00691) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -104:sc= 0.386 USER MOD Single : A 95 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.48) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.901 10.935 7.100 1.00 0.00 N ATOM 272 CA GLU A 21 -6.292 10.009 6.153 1.00 0.00 C ATOM 273 C GLU A 21 -7.358 9.248 5.373 1.00 0.00 C ATOM 274 O GLU A 21 -8.392 8.869 5.923 1.00 0.00 O ATOM 275 CB GLU A 21 -5.379 9.024 6.884 1.00 0.00 C ATOM 276 CG GLU A 21 -3.988 9.572 7.162 1.00 0.00 C ATOM 277 CD GLU A 21 -3.712 9.744 8.643 1.00 0.00 C ATOM 278 OE1 GLU A 21 -3.852 8.753 9.391 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.358 10.868 9.054 1.00 0.00 O ATOM 0 HA GLU A 21 -5.697 10.590 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.845 8.743 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.290 8.115 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.245 8.899 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.874 10.533 6.661 1.00 0.00 H new ATOM 286 N LYS A 22 -7.101 9.029 4.088 1.00 0.00 N ATOM 287 CA LYS A 22 -8.039 8.314 3.231 1.00 0.00 C ATOM 288 C LYS A 22 -7.757 6.815 3.248 1.00 0.00 C ATOM 289 O LYS A 22 -6.610 6.390 3.376 1.00 0.00 O ATOM 290 CB LYS A 22 -7.958 8.844 1.798 1.00 0.00 C ATOM 291 CG LYS A 22 -9.207 8.569 0.976 1.00 0.00 C ATOM 292 CD LYS A 22 -9.398 9.613 -0.112 1.00 0.00 C ATOM 293 CE LYS A 22 -8.692 9.216 -1.399 1.00 0.00 C ATOM 294 NZ LYS A 22 -9.658 8.862 -2.475 1.00 0.00 N ATOM 0 H LYS A 22 -6.250 9.337 3.617 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.045 8.481 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.781 9.919 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.099 8.393 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.136 7.580 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.079 8.559 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.462 9.746 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.014 10.573 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.060 10.038 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.036 8.367 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.182 8.274 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.455 8.333 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.013 9.731 -2.923 1.00 0.00 H new ATOM 308 N LYS A 23 -8.813 6.019 3.118 1.00 0.00 N ATOM 309 CA LYS A 23 -8.680 4.566 3.118 1.00 0.00 C ATOM 310 C LYS A 23 -9.389 3.955 1.914 1.00 0.00 C ATOM 311 O LYS A 23 -10.587 4.155 1.719 1.00 0.00 O ATOM 312 CB LYS A 23 -9.249 3.981 4.411 1.00 0.00 C ATOM 313 CG LYS A 23 -8.473 2.781 4.930 1.00 0.00 C ATOM 314 CD LYS A 23 -8.712 2.563 6.416 1.00 0.00 C ATOM 315 CE LYS A 23 -7.442 2.121 7.124 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.694 3.274 7.697 1.00 0.00 N ATOM 0 H LYS A 23 -9.770 6.355 3.011 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.619 4.323 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.258 4.756 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.285 3.688 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.769 1.889 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.408 2.929 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.079 3.486 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.488 1.810 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.695 1.421 7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.802 1.587 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.835 2.929 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.429 3.930 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.295 3.769 8.387 1.00 0.00 H new ATOM 330 N VAL A 24 -8.639 3.208 1.110 1.00 0.00 N ATOM 331 CA VAL A 24 -9.194 2.566 -0.076 1.00 0.00 C ATOM 332 C VAL A 24 -9.050 1.050 0.003 1.00 0.00 C ATOM 333 O VAL A 24 -8.042 0.489 -0.429 1.00 0.00 O ATOM 334 CB VAL A 24 -8.509 3.070 -1.360 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.231 2.544 -2.592 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.450 4.589 -1.373 1.00 0.00 C ATOM 0 H VAL A 24 -7.645 3.032 1.258 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.252 2.827 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.487 2.691 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.733 2.910 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.213 1.454 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.265 2.890 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.963 4.926 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.462 4.993 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.883 4.939 -0.510 1.00 0.00 H new ATOM 346 N ASN A 25 -10.064 0.393 0.556 1.00 0.00 N ATOM 347 CA ASN A 25 -10.050 -1.060 0.691 1.00 0.00 C ATOM 348 C ASN A 25 -10.468 -1.732 -0.613 1.00 0.00 C ATOM 349 O ASN A 25 -11.511 -1.410 -1.182 1.00 0.00 O ATOM 350 CB ASN A 25 -10.979 -1.496 1.824 1.00 0.00 C ATOM 351 CG ASN A 25 -12.380 -0.935 1.672 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.627 0.234 1.967 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.305 -1.768 1.210 1.00 0.00 N ATOM 0 H ASN A 25 -10.905 0.842 0.918 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.031 -1.368 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.028 -2.585 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.562 -1.171 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.265 -1.447 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.055 -2.729 0.978 1.00 0.00 H new ATOM 360 N LEU A 26 -9.648 -2.667 -1.080 1.00 0.00 N ATOM 361 CA LEU A 26 -9.933 -3.385 -2.317 1.00 0.00 C ATOM 362 C LEU A 26 -9.621 -4.871 -2.167 1.00 0.00 C ATOM 363 O LEU A 26 -8.529 -5.247 -1.742 1.00 0.00 O ATOM 364 CB LEU A 26 -9.120 -2.797 -3.472 1.00 0.00 C ATOM 365 CG LEU A 26 -9.581 -1.420 -3.954 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.722 -0.947 -5.116 1.00 0.00 C ATOM 367 CD2 LEU A 26 -11.048 -1.461 -4.353 1.00 0.00 C ATOM 0 H LEU A 26 -8.781 -2.945 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.995 -3.274 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.077 -2.726 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.157 -3.490 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.468 -0.711 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.064 0.034 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.682 -0.880 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.803 -1.656 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.360 -0.474 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.186 -2.183 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.651 -1.756 -3.494 1.00 0.00 H new ATOM 379 N VAL A 27 -10.588 -5.712 -2.521 1.00 0.00 N ATOM 380 CA VAL A 27 -10.417 -7.156 -2.428 1.00 0.00 C ATOM 381 C VAL A 27 -10.213 -7.774 -3.807 1.00 0.00 C ATOM 382 O VAL A 27 -11.031 -7.587 -4.707 1.00 0.00 O ATOM 383 CB VAL A 27 -11.628 -7.825 -1.751 1.00 0.00 C ATOM 384 CG1 VAL A 27 -11.364 -9.306 -1.522 1.00 0.00 C ATOM 385 CG2 VAL A 27 -11.961 -7.128 -0.439 1.00 0.00 C ATOM 0 H VAL A 27 -11.498 -5.417 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.530 -7.330 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.487 -7.731 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.231 -9.760 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.180 -9.795 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.491 -9.425 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.819 -7.615 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.104 -7.187 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.198 -6.082 -0.633 1.00 0.00 H new ATOM 395 N LEU A 28 -9.119 -8.509 -3.966 1.00 0.00 N ATOM 396 CA LEU A 28 -8.808 -9.153 -5.237 1.00 0.00 C ATOM 397 C LEU A 28 -9.188 -10.630 -5.207 1.00 0.00 C ATOM 398 O LEU A 28 -9.150 -11.270 -4.156 1.00 0.00 O ATOM 399 CB LEU A 28 -7.319 -9.004 -5.557 1.00 0.00 C ATOM 400 CG LEU A 28 -6.816 -7.561 -5.637 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.298 -7.529 -5.718 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.432 -6.848 -6.832 1.00 0.00 C ATOM 0 H LEU A 28 -8.432 -8.674 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.391 -8.663 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.745 -9.531 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.116 -9.497 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.121 -7.038 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.958 -6.495 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.876 -8.002 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.970 -8.068 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.063 -5.823 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.157 -7.370 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.517 -6.839 -6.731 1.00 0.00 H new ATOM 464 N SER A 33 -5.655 -7.324 -10.215 1.00 0.00 N ATOM 465 CA SER A 33 -4.639 -6.311 -9.956 1.00 0.00 C ATOM 466 C SER A 33 -5.267 -4.926 -9.847 1.00 0.00 C ATOM 467 O SER A 33 -6.307 -4.656 -10.449 1.00 0.00 O ATOM 468 CB SER A 33 -3.585 -6.320 -11.066 1.00 0.00 C ATOM 469 OG SER A 33 -2.607 -7.318 -10.833 1.00 0.00 O ATOM 0 HA SER A 33 -4.159 -6.548 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.067 -6.496 -12.028 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.105 -5.343 -11.124 1.00 0.00 H new ATOM 0 HG SER A 33 -1.947 -7.304 -11.557 1.00 0.00 H new ATOM 475 N LEU A 34 -4.630 -4.051 -9.076 1.00 0.00 N ATOM 476 CA LEU A 34 -5.128 -2.692 -8.889 1.00 0.00 C ATOM 477 C LEU A 34 -5.074 -1.908 -10.197 1.00 0.00 C ATOM 478 O LEU A 34 -6.052 -1.272 -10.590 1.00 0.00 O ATOM 479 CB LEU A 34 -4.311 -1.971 -7.816 1.00 0.00 C ATOM 480 CG LEU A 34 -4.445 -2.545 -6.405 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.196 -2.253 -5.588 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.679 -1.982 -5.716 1.00 0.00 C ATOM 0 H LEU A 34 -3.768 -4.258 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.167 -2.754 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.260 -1.996 -8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.611 -0.923 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.558 -3.626 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.310 -2.669 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.330 -2.705 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.051 -1.175 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.759 -2.401 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.596 -0.897 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.568 -2.244 -6.290 1.00 0.00 H new ATOM 494 N GLY A 35 -3.926 -1.959 -10.864 1.00 0.00 N ATOM 495 CA GLY A 35 -3.767 -1.250 -12.119 1.00 0.00 C ATOM 496 C GLY A 35 -3.283 0.174 -11.923 1.00 0.00 C ATOM 497 O GLY A 35 -3.675 1.077 -12.659 1.00 0.00 O ATOM 0 H GLY A 35 -3.103 -2.479 -10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.059 -1.788 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.719 -1.237 -12.649 1.00 0.00 H new ATOM 501 N LEU A 36 -2.428 0.372 -10.924 1.00 0.00 N ATOM 502 CA LEU A 36 -1.890 1.695 -10.631 1.00 0.00 C ATOM 503 C LEU A 36 -0.396 1.755 -10.938 1.00 0.00 C ATOM 504 O LEU A 36 0.371 0.894 -10.507 1.00 0.00 O ATOM 505 CB LEU A 36 -2.136 2.055 -9.165 1.00 0.00 C ATOM 506 CG LEU A 36 -3.607 2.203 -8.773 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.734 2.525 -7.292 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.275 3.280 -9.615 1.00 0.00 C ATOM 0 H LEU A 36 -2.094 -0.366 -10.305 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.403 2.417 -11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.684 1.287 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.621 2.990 -8.945 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.113 1.256 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.787 2.627 -7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.291 1.720 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.215 3.459 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.321 3.373 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.768 4.232 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.215 3.008 -10.669 1.00 0.00 H new ATOM 520 N THR A 37 0.008 2.778 -11.684 1.00 0.00 N ATOM 521 CA THR A 37 1.409 2.950 -12.048 1.00 0.00 C ATOM 522 C THR A 37 2.131 3.827 -11.030 1.00 0.00 C ATOM 523 O THR A 37 2.264 5.036 -11.220 1.00 0.00 O ATOM 524 CB THR A 37 1.522 3.569 -13.443 1.00 0.00 C ATOM 525 OG1 THR A 37 0.630 2.939 -14.344 1.00 0.00 O ATOM 526 CG2 THR A 37 2.913 3.471 -14.030 1.00 0.00 C ATOM 0 H THR A 37 -0.614 3.500 -12.048 1.00 0.00 H new ATOM 0 HA THR A 37 1.881 1.968 -12.054 1.00 0.00 H new ATOM 0 HB THR A 37 1.274 4.622 -13.313 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.716 3.349 -15.230 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.924 3.929 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.619 3.991 -13.382 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.200 2.423 -14.112 1.00 0.00 H new ATOM 534 N ILE A 38 2.598 3.210 -9.950 1.00 0.00 N ATOM 535 CA ILE A 38 3.306 3.933 -8.901 1.00 0.00 C ATOM 536 C ILE A 38 4.677 4.395 -9.382 1.00 0.00 C ATOM 537 O ILE A 38 5.139 3.994 -10.450 1.00 0.00 O ATOM 538 CB ILE A 38 3.483 3.067 -7.641 1.00 0.00 C ATOM 539 CG1 ILE A 38 4.112 1.721 -8.003 1.00 0.00 C ATOM 540 CG2 ILE A 38 2.143 2.861 -6.947 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.661 0.968 -6.811 1.00 0.00 C ATOM 0 H ILE A 38 2.499 2.209 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 38 2.698 4.803 -8.652 1.00 0.00 H new ATOM 0 HB ILE A 38 4.151 3.586 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.365 1.102 -8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.917 1.887 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.284 2.247 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.730 3.828 -6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.454 2.361 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.091 0.023 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.432 1.567 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.856 0.770 -6.103 1.00 0.00 H new ATOM 553 N ARG A 39 5.323 5.241 -8.587 1.00 0.00 N ATOM 554 CA ARG A 39 6.641 5.758 -8.930 1.00 0.00 C ATOM 555 C ARG A 39 7.532 5.843 -7.695 1.00 0.00 C ATOM 556 O ARG A 39 7.094 5.552 -6.581 1.00 0.00 O ATOM 557 CB ARG A 39 6.518 7.138 -9.580 1.00 0.00 C ATOM 558 CG ARG A 39 6.412 7.089 -11.096 1.00 0.00 C ATOM 559 CD ARG A 39 7.636 7.696 -11.764 1.00 0.00 C ATOM 560 NE ARG A 39 7.841 9.088 -11.370 1.00 0.00 N ATOM 561 CZ ARG A 39 8.610 9.943 -12.039 1.00 0.00 C ATOM 562 NH1 ARG A 39 9.249 9.553 -13.135 1.00 0.00 N ATOM 563 NH2 ARG A 39 8.741 11.191 -11.612 1.00 0.00 N ATOM 0 H ARG A 39 4.954 5.583 -7.700 1.00 0.00 H new ATOM 0 HA ARG A 39 7.099 5.069 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.639 7.642 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.384 7.739 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.296 6.055 -11.420 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.519 7.625 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.518 7.112 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.524 7.638 -12.847 1.00 0.00 H new ATOM 0 HE ARG A 39 7.366 9.424 -10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.152 8.594 -13.468 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.837 10.212 -13.644 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.252 11.496 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.331 11.846 -12.125 1.00 0.00 H new ATOM 577 N GLY A 40 8.783 6.243 -7.899 1.00 0.00 N ATOM 578 CA GLY A 40 9.714 6.358 -6.792 1.00 0.00 C ATOM 579 C GLY A 40 9.974 5.029 -6.111 1.00 0.00 C ATOM 580 O GLY A 40 9.495 3.988 -6.563 1.00 0.00 O ATOM 0 H GLY A 40 9.168 6.489 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.657 6.767 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.320 7.065 -6.062 1.00 0.00 H new ATOM 584 N GLY A 41 10.732 5.063 -5.019 1.00 0.00 N ATOM 585 CA GLY A 41 11.040 3.847 -4.293 1.00 0.00 C ATOM 586 C GLY A 41 12.200 4.022 -3.334 1.00 0.00 C ATOM 587 O GLY A 41 12.775 5.107 -3.236 1.00 0.00 O ATOM 0 H GLY A 41 11.138 5.912 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.159 3.526 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.276 3.054 -5.003 1.00 0.00 H new ATOM 591 N ALA A 42 12.547 2.953 -2.624 1.00 0.00 N ATOM 592 CA ALA A 42 13.646 2.995 -1.667 1.00 0.00 C ATOM 593 C ALA A 42 14.988 3.122 -2.379 1.00 0.00 C ATOM 594 O ALA A 42 15.870 3.858 -1.937 1.00 0.00 O ATOM 595 CB ALA A 42 13.628 1.753 -0.789 1.00 0.00 C ATOM 0 H ALA A 42 12.083 2.047 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 42 13.514 3.874 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.454 1.797 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.684 1.705 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.733 0.865 -1.413 1.00 0.00 H new ATOM 601 N GLU A 43 15.137 2.399 -3.484 1.00 0.00 N ATOM 602 CA GLU A 43 16.372 2.430 -4.258 1.00 0.00 C ATOM 603 C GLU A 43 16.571 3.795 -4.910 1.00 0.00 C ATOM 604 O GLU A 43 17.656 4.372 -4.844 1.00 0.00 O ATOM 605 CB GLU A 43 16.355 1.338 -5.330 1.00 0.00 C ATOM 606 CG GLU A 43 17.632 1.275 -6.154 1.00 0.00 C ATOM 607 CD GLU A 43 17.452 1.835 -7.551 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.364 3.073 -7.688 1.00 0.00 O ATOM 609 OE2 GLU A 43 17.401 1.035 -8.509 1.00 0.00 O ATOM 0 H GLU A 43 14.417 1.784 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 43 17.203 2.248 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.193 0.372 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.510 1.508 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.418 1.830 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.966 0.240 -6.222 1.00 0.00 H new ATOM 616 N TYR A 44 15.517 4.304 -5.538 1.00 0.00 N ATOM 617 CA TYR A 44 15.576 5.602 -6.200 1.00 0.00 C ATOM 618 C TYR A 44 15.651 6.732 -5.179 1.00 0.00 C ATOM 619 O TYR A 44 16.233 7.784 -5.445 1.00 0.00 O ATOM 620 CB TYR A 44 14.354 5.794 -7.101 1.00 0.00 C ATOM 621 CG TYR A 44 14.288 4.813 -8.249 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.397 4.578 -9.053 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.117 4.120 -8.530 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.340 3.682 -10.103 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.052 3.223 -9.579 1.00 0.00 C ATOM 626 CZ TYR A 44 14.166 3.007 -10.362 1.00 0.00 C ATOM 627 OH TYR A 44 14.106 2.115 -11.408 1.00 0.00 O ATOM 0 H TYR A 44 14.612 3.838 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 44 16.478 5.629 -6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.450 5.697 -6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.364 6.808 -7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.319 5.105 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.243 4.285 -7.918 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.211 3.511 -10.718 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.133 2.694 -9.784 1.00 0.00 H new ATOM 0 HH TYR A 44 13.208 1.724 -11.454 1.00 0.00 H new ATOM 637 N GLY A 45 15.058 6.509 -4.011 1.00 0.00 N ATOM 638 CA GLY A 45 15.068 7.517 -2.968 1.00 0.00 C ATOM 639 C GLY A 45 13.847 8.413 -3.018 1.00 0.00 C ATOM 640 O GLY A 45 13.923 9.597 -2.689 1.00 0.00 O ATOM 0 H GLY A 45 14.570 5.647 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.117 7.028 -1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.967 8.126 -3.064 1.00 0.00 H new ATOM 644 N LEU A 46 12.717 7.847 -3.430 1.00 0.00 N ATOM 645 CA LEU A 46 11.473 8.601 -3.523 1.00 0.00 C ATOM 646 C LEU A 46 10.308 7.801 -2.950 1.00 0.00 C ATOM 647 O LEU A 46 10.347 6.571 -2.910 1.00 0.00 O ATOM 648 CB LEU A 46 11.186 8.972 -4.979 1.00 0.00 C ATOM 649 CG LEU A 46 9.929 9.817 -5.196 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.109 11.203 -4.596 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.601 9.913 -6.678 1.00 0.00 C ATOM 0 H LEU A 46 12.638 6.868 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 46 11.585 9.514 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.044 9.516 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.094 8.055 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 46 9.094 9.331 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.206 11.790 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.296 11.115 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.955 11.699 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.704 10.517 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.434 10.377 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.429 8.914 -7.078 1.00 0.00 H new ATOM 663 N GLY A 47 9.272 8.507 -2.509 1.00 0.00 N ATOM 664 CA GLY A 47 8.111 7.846 -1.944 1.00 0.00 C ATOM 665 C GLY A 47 7.381 6.988 -2.959 1.00 0.00 C ATOM 666 O GLY A 47 7.909 6.700 -4.033 1.00 0.00 O ATOM 0 H GLY A 47 9.216 9.525 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.423 7.224 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.427 8.596 -1.548 1.00 0.00 H new ATOM 670 N ILE A 48 6.163 6.579 -2.619 1.00 0.00 N ATOM 671 CA ILE A 48 5.358 5.750 -3.507 1.00 0.00 C ATOM 672 C ILE A 48 4.081 6.470 -3.925 1.00 0.00 C ATOM 673 O ILE A 48 3.046 6.351 -3.269 1.00 0.00 O ATOM 674 CB ILE A 48 4.984 4.411 -2.842 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.224 3.756 -2.230 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.330 3.481 -3.851 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.267 3.364 -3.254 1.00 0.00 C ATOM 0 H ILE A 48 5.712 6.809 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 48 5.966 5.552 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 48 4.269 4.607 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.671 4.443 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.920 2.869 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.072 2.540 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.426 3.947 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.023 3.288 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.118 2.906 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.836 2.652 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.599 4.251 -3.793 1.00 0.00 H new ATOM 689 N TYR A 49 4.162 7.220 -5.019 1.00 0.00 N ATOM 690 CA TYR A 49 3.012 7.962 -5.525 1.00 0.00 C ATOM 691 C TYR A 49 2.212 7.119 -6.513 1.00 0.00 C ATOM 692 O TYR A 49 2.505 5.942 -6.720 1.00 0.00 O ATOM 693 CB TYR A 49 3.472 9.257 -6.197 1.00 0.00 C ATOM 694 CG TYR A 49 4.434 10.067 -5.358 1.00 0.00 C ATOM 695 CD1 TYR A 49 3.997 10.745 -4.227 1.00 0.00 C ATOM 696 CD2 TYR A 49 5.779 10.153 -5.698 1.00 0.00 C ATOM 697 CE1 TYR A 49 4.874 11.487 -3.458 1.00 0.00 C ATOM 698 CE2 TYR A 49 6.661 10.893 -4.933 1.00 0.00 C ATOM 699 CZ TYR A 49 6.203 11.557 -3.815 1.00 0.00 C ATOM 700 OH TYR A 49 7.079 12.295 -3.051 1.00 0.00 O ATOM 0 H TYR A 49 5.012 7.330 -5.572 1.00 0.00 H new ATOM 0 HA TYR A 49 2.368 8.207 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.948 9.014 -7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.599 9.868 -6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.956 10.692 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.140 9.634 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.519 12.009 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.703 10.951 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 49 6.778 12.297 -2.118 1.00 0.00 H new ATOM 710 N ILE A 50 1.198 7.730 -7.118 1.00 0.00 N ATOM 711 CA ILE A 50 0.354 7.037 -8.083 1.00 0.00 C ATOM 712 C ILE A 50 0.170 7.869 -9.348 1.00 0.00 C ATOM 713 O ILE A 50 -0.429 8.944 -9.315 1.00 0.00 O ATOM 714 CB ILE A 50 -1.031 6.713 -7.490 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.880 6.036 -6.127 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.822 5.829 -8.442 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.197 5.808 -5.416 1.00 0.00 C ATOM 0 H ILE A 50 0.942 8.704 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 50 0.860 6.105 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.578 7.646 -7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.377 5.078 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.237 6.649 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.798 5.609 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.955 6.346 -9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.281 4.898 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.014 5.324 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.692 6.765 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.835 5.170 -6.028 1.00 0.00 H new ATOM 729 N THR A 51 0.687 7.363 -10.463 1.00 0.00 N ATOM 730 CA THR A 51 0.578 8.060 -11.739 1.00 0.00 C ATOM 731 C THR A 51 0.117 7.107 -12.839 1.00 0.00 C ATOM 732 O THR A 51 0.696 7.068 -13.925 1.00 0.00 O ATOM 733 CB THR A 51 1.920 8.688 -12.117 1.00 0.00 C ATOM 734 OG1 THR A 51 1.859 9.258 -13.413 1.00 0.00 O ATOM 735 CG2 THR A 51 3.069 7.703 -12.102 1.00 0.00 C ATOM 0 H THR A 51 1.185 6.474 -10.509 1.00 0.00 H new ATOM 0 HA THR A 51 -0.165 8.850 -11.633 1.00 0.00 H new ATOM 0 HB THR A 51 2.106 9.448 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.653 8.559 -14.068 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.991 8.215 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.175 7.282 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.871 6.902 -12.814 1.00 0.00 H new ATOM 743 N GLY A 52 -0.929 6.341 -12.549 1.00 0.00 N ATOM 744 CA GLY A 52 -1.452 5.399 -13.521 1.00 0.00 C ATOM 745 C GLY A 52 -2.808 4.850 -13.125 1.00 0.00 C ATOM 746 O GLY A 52 -3.018 4.467 -11.973 1.00 0.00 O ATOM 0 H GLY A 52 -1.424 6.356 -11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.531 5.889 -14.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.749 4.574 -13.637 1.00 0.00 H new ATOM 750 N VAL A 53 -3.732 4.813 -14.079 1.00 0.00 N ATOM 751 CA VAL A 53 -5.076 4.309 -13.824 1.00 0.00 C ATOM 752 C VAL A 53 -5.613 3.545 -15.029 1.00 0.00 C ATOM 753 O VAL A 53 -6.145 4.140 -15.967 1.00 0.00 O ATOM 754 CB VAL A 53 -6.048 5.452 -13.478 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.388 4.895 -13.024 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.448 6.357 -12.414 1.00 0.00 C ATOM 0 H VAL A 53 -3.574 5.126 -15.037 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.005 3.633 -12.972 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.216 6.047 -14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.061 5.718 -12.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.821 4.293 -13.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.243 4.275 -12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.148 7.159 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.249 5.777 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.516 6.785 -12.783 1.00 0.00 H new ATOM 766 N ASP A 54 -5.470 2.224 -15.000 1.00 0.00 N ATOM 767 CA ASP A 54 -5.940 1.378 -16.090 1.00 0.00 C ATOM 768 C ASP A 54 -7.456 1.479 -16.245 1.00 0.00 C ATOM 769 O ASP A 54 -8.176 1.677 -15.268 1.00 0.00 O ATOM 770 CB ASP A 54 -5.536 -0.077 -15.844 1.00 0.00 C ATOM 771 CG ASP A 54 -4.218 -0.432 -16.504 1.00 0.00 C ATOM 772 OD1 ASP A 54 -4.225 -0.742 -17.714 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.180 -0.399 -15.811 1.00 0.00 O ATOM 0 H ASP A 54 -5.032 1.716 -14.232 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.476 1.726 -17.013 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.461 -0.254 -14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.317 -0.737 -16.222 1.00 0.00 H new ATOM 778 N PRO A 55 -7.960 1.341 -17.485 1.00 0.00 N ATOM 779 CA PRO A 55 -9.398 1.416 -17.764 1.00 0.00 C ATOM 780 C PRO A 55 -10.152 0.196 -17.246 1.00 0.00 C ATOM 781 O PRO A 55 -9.852 -0.937 -17.622 1.00 0.00 O ATOM 782 CB PRO A 55 -9.459 1.474 -19.291 1.00 0.00 C ATOM 783 CG PRO A 55 -8.216 0.791 -19.745 1.00 0.00 C ATOM 784 CD PRO A 55 -7.171 1.099 -18.708 1.00 0.00 C ATOM 0 HA PRO A 55 -9.866 2.269 -17.273 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.348 0.972 -19.671 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.498 2.503 -19.647 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.372 -0.284 -19.834 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.909 1.151 -20.727 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.476 0.269 -18.580 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.578 1.972 -18.982 1.00 0.00 H new ATOM 792 N GLY A 56 -11.132 0.436 -16.382 1.00 0.00 N ATOM 793 CA GLY A 56 -11.914 -0.654 -15.827 1.00 0.00 C ATOM 794 C GLY A 56 -11.171 -1.406 -14.741 1.00 0.00 C ATOM 795 O GLY A 56 -11.329 -2.618 -14.597 1.00 0.00 O ATOM 0 H GLY A 56 -11.399 1.365 -16.056 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.844 -0.259 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.184 -1.346 -16.624 1.00 0.00 H new ATOM 799 N SER A 57 -10.360 -0.685 -13.974 1.00 0.00 N ATOM 800 CA SER A 57 -9.589 -1.292 -12.895 1.00 0.00 C ATOM 801 C SER A 57 -10.316 -1.152 -11.562 1.00 0.00 C ATOM 802 O SER A 57 -11.215 -0.324 -11.418 1.00 0.00 O ATOM 803 CB SER A 57 -8.204 -0.648 -12.804 1.00 0.00 C ATOM 804 OG SER A 57 -8.260 0.582 -12.102 1.00 0.00 O ATOM 0 H SER A 57 -10.220 0.320 -14.079 1.00 0.00 H new ATOM 0 HA SER A 57 -9.474 -2.353 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.516 -1.327 -12.300 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.810 -0.481 -13.807 1.00 0.00 H new ATOM 0 HG SER A 57 -7.363 0.973 -12.056 1.00 0.00 H new ATOM 810 N GLU A 58 -9.922 -1.968 -10.590 1.00 0.00 N ATOM 811 CA GLU A 58 -10.536 -1.934 -9.268 1.00 0.00 C ATOM 812 C GLU A 58 -10.188 -0.640 -8.539 1.00 0.00 C ATOM 813 O GLU A 58 -10.981 -0.130 -7.748 1.00 0.00 O ATOM 814 CB GLU A 58 -10.081 -3.138 -8.440 1.00 0.00 C ATOM 815 CG GLU A 58 -10.890 -4.397 -8.702 1.00 0.00 C ATOM 816 CD GLU A 58 -12.267 -4.347 -8.071 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.864 -3.250 -8.036 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.750 -5.404 -7.613 1.00 0.00 O ATOM 0 H GLU A 58 -9.180 -2.661 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.618 -1.978 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.031 -3.340 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.148 -2.887 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.992 -4.541 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.348 -5.260 -8.315 1.00 0.00 H new ATOM 825 N ALA A 59 -8.999 -0.114 -8.812 1.00 0.00 N ATOM 826 CA ALA A 59 -8.546 1.120 -8.184 1.00 0.00 C ATOM 827 C ALA A 59 -9.334 2.320 -8.701 1.00 0.00 C ATOM 828 O ALA A 59 -9.659 3.234 -7.944 1.00 0.00 O ATOM 829 CB ALA A 59 -7.058 1.321 -8.425 1.00 0.00 C ATOM 0 H ALA A 59 -8.331 -0.524 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.721 1.037 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.734 2.247 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.504 0.483 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.867 1.377 -9.497 1.00 0.00 H new ATOM 835 N GLU A 60 -9.636 2.309 -9.995 1.00 0.00 N ATOM 836 CA GLU A 60 -10.385 3.396 -10.615 1.00 0.00 C ATOM 837 C GLU A 60 -11.832 3.403 -10.133 1.00 0.00 C ATOM 838 O GLU A 60 -12.459 4.458 -10.035 1.00 0.00 O ATOM 839 CB GLU A 60 -10.344 3.267 -12.137 1.00 0.00 C ATOM 840 CG GLU A 60 -10.824 4.511 -12.867 1.00 0.00 C ATOM 841 CD GLU A 60 -11.034 4.274 -14.350 1.00 0.00 C ATOM 842 OE1 GLU A 60 -10.198 3.577 -14.962 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.033 4.785 -14.897 1.00 0.00 O ATOM 0 H GLU A 60 -9.374 1.559 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.919 4.338 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.323 3.046 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.959 2.419 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.759 4.851 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.096 5.311 -12.730 1.00 0.00 H new ATOM 850 N GLY A 61 -12.357 2.220 -9.832 1.00 0.00 N ATOM 851 CA GLY A 61 -13.727 2.113 -9.364 1.00 0.00 C ATOM 852 C GLY A 61 -13.893 2.600 -7.937 1.00 0.00 C ATOM 853 O GLY A 61 -14.907 3.209 -7.597 1.00 0.00 O ATOM 0 H GLY A 61 -11.858 1.333 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.378 2.691 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.050 1.074 -9.430 1.00 0.00 H new ATOM 857 N SER A 62 -12.895 2.329 -7.102 1.00 0.00 N ATOM 858 CA SER A 62 -12.937 2.744 -5.704 1.00 0.00 C ATOM 859 C SER A 62 -12.800 4.258 -5.581 1.00 0.00 C ATOM 860 O SER A 62 -13.748 4.950 -5.208 1.00 0.00 O ATOM 861 CB SER A 62 -11.825 2.053 -4.912 1.00 0.00 C ATOM 862 OG SER A 62 -12.276 1.671 -3.624 1.00 0.00 O ATOM 0 H SER A 62 -12.049 1.825 -7.368 1.00 0.00 H new ATOM 0 HA SER A 62 -13.903 2.451 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.480 1.173 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.971 2.724 -4.817 1.00 0.00 H new ATOM 0 HG SER A 62 -11.547 1.230 -3.140 1.00 0.00 H new ATOM 868 N GLY A 63 -11.613 4.767 -5.896 1.00 0.00 N ATOM 869 CA GLY A 63 -11.374 6.196 -5.815 1.00 0.00 C ATOM 870 C GLY A 63 -9.899 6.533 -5.716 1.00 0.00 C ATOM 871 O GLY A 63 -9.500 7.374 -4.911 1.00 0.00 O ATOM 0 H GLY A 63 -10.813 4.215 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.796 6.682 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.895 6.600 -4.947 1.00 0.00 H new ATOM 875 N LEU A 64 -9.088 5.873 -6.536 1.00 0.00 N ATOM 876 CA LEU A 64 -7.647 6.105 -6.538 1.00 0.00 C ATOM 877 C LEU A 64 -7.214 6.828 -7.809 1.00 0.00 C ATOM 878 O LEU A 64 -7.089 6.217 -8.870 1.00 0.00 O ATOM 879 CB LEU A 64 -6.898 4.778 -6.412 1.00 0.00 C ATOM 880 CG LEU A 64 -6.955 4.130 -5.027 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.539 2.670 -5.105 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.072 4.887 -4.048 1.00 0.00 C ATOM 0 H LEU A 64 -9.403 5.173 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.403 6.736 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.306 4.078 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.853 4.941 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.983 4.175 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.585 2.225 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.213 2.135 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.520 2.602 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.125 4.412 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.041 4.874 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.416 5.918 -3.970 1.00 0.00 H new ATOM 894 N LYS A 65 -6.988 8.133 -7.693 1.00 0.00 N ATOM 895 CA LYS A 65 -6.569 8.940 -8.834 1.00 0.00 C ATOM 896 C LYS A 65 -5.055 9.123 -8.844 1.00 0.00 C ATOM 897 O LYS A 65 -4.342 8.513 -8.047 1.00 0.00 O ATOM 898 CB LYS A 65 -7.259 10.305 -8.802 1.00 0.00 C ATOM 899 CG LYS A 65 -8.768 10.218 -8.642 1.00 0.00 C ATOM 900 CD LYS A 65 -9.454 9.953 -9.972 1.00 0.00 C ATOM 901 CE LYS A 65 -10.751 10.737 -10.097 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.946 9.870 -9.900 1.00 0.00 N ATOM 0 H LYS A 65 -7.088 8.654 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.860 8.415 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.848 10.892 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.030 10.841 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.015 9.423 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.144 11.148 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.784 10.224 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.661 8.887 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.761 11.541 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.800 11.204 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.809 10.442 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.951 9.117 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.914 9.444 -8.952 1.00 0.00 H new ATOM 916 N VAL A 66 -4.571 9.965 -9.750 1.00 0.00 N ATOM 917 CA VAL A 66 -3.141 10.227 -9.863 1.00 0.00 C ATOM 918 C VAL A 66 -2.701 11.307 -8.880 1.00 0.00 C ATOM 919 O VAL A 66 -3.459 12.227 -8.573 1.00 0.00 O ATOM 920 CB VAL A 66 -2.761 10.665 -11.289 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.851 9.490 -12.251 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.649 11.810 -11.752 1.00 0.00 C ATOM 0 H VAL A 66 -5.148 10.478 -10.417 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.630 9.293 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.730 11.018 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.579 9.819 -13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.168 8.703 -11.929 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.870 9.104 -12.260 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.365 12.105 -12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.690 11.488 -11.748 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.529 12.659 -11.079 1.00 0.00 H new ATOM 932 N GLY A 67 -1.472 11.187 -8.388 1.00 0.00 N ATOM 933 CA GLY A 67 -0.953 12.159 -7.444 1.00 0.00 C ATOM 934 C GLY A 67 -1.045 11.679 -6.008 1.00 0.00 C ATOM 935 O GLY A 67 -0.234 12.063 -5.166 1.00 0.00 O ATOM 0 H GLY A 67 -0.827 10.434 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.088 12.376 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.506 13.093 -7.548 1.00 0.00 H new ATOM 939 N ASP A 68 -2.037 10.838 -5.731 1.00 0.00 N ATOM 940 CA ASP A 68 -2.236 10.304 -4.387 1.00 0.00 C ATOM 941 C ASP A 68 -0.974 9.611 -3.880 1.00 0.00 C ATOM 942 O ASP A 68 -0.504 8.641 -4.476 1.00 0.00 O ATOM 943 CB ASP A 68 -3.410 9.324 -4.374 1.00 0.00 C ATOM 944 CG ASP A 68 -4.726 10.004 -4.052 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.854 10.554 -2.939 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.630 9.987 -4.915 1.00 0.00 O ATOM 0 H ASP A 68 -2.716 10.511 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.460 11.139 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.484 8.837 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.219 8.542 -3.639 1.00 0.00 H new ATOM 951 N GLN A 69 -0.432 10.116 -2.777 1.00 0.00 N ATOM 952 CA GLN A 69 0.775 9.547 -2.189 1.00 0.00 C ATOM 953 C GLN A 69 0.428 8.449 -1.190 1.00 0.00 C ATOM 954 O GLN A 69 -0.165 8.712 -0.144 1.00 0.00 O ATOM 955 CB GLN A 69 1.593 10.641 -1.498 1.00 0.00 C ATOM 956 CG GLN A 69 2.891 10.137 -0.888 1.00 0.00 C ATOM 957 CD GLN A 69 3.744 11.256 -0.327 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.234 12.309 0.058 1.00 0.00 O ATOM 959 NE2 GLN A 69 5.053 11.036 -0.277 1.00 0.00 N ATOM 0 H GLN A 69 -0.809 10.918 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 69 1.369 9.109 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.821 11.424 -2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.987 11.097 -0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.663 9.426 -0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.459 9.597 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.434 10.149 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.677 11.754 0.091 1.00 0.00 H new ATOM 968 N ILE A 70 0.802 7.216 -1.518 1.00 0.00 N ATOM 969 CA ILE A 70 0.531 6.078 -0.649 1.00 0.00 C ATOM 970 C ILE A 70 1.441 6.093 0.574 1.00 0.00 C ATOM 971 O ILE A 70 2.656 5.932 0.458 1.00 0.00 O ATOM 972 CB ILE A 70 0.715 4.743 -1.395 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.055 4.760 -2.717 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.256 3.581 -0.526 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.242 3.570 -3.605 1.00 0.00 C ATOM 0 H ILE A 70 1.294 6.980 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.507 6.165 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 70 1.775 4.612 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.124 4.787 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.186 5.675 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.393 2.645 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.844 3.558 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.798 3.706 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.338 3.648 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.305 3.553 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.026 2.651 -3.084 1.00 0.00 H new ATOM 987 N LEU A 71 0.845 6.285 1.747 1.00 0.00 N ATOM 988 CA LEU A 71 1.604 6.321 2.992 1.00 0.00 C ATOM 989 C LEU A 71 1.848 4.911 3.519 1.00 0.00 C ATOM 990 O LEU A 71 2.933 4.601 4.014 1.00 0.00 O ATOM 991 CB LEU A 71 0.861 7.149 4.042 1.00 0.00 C ATOM 992 CG LEU A 71 0.540 8.585 3.626 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.564 9.160 4.500 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.788 9.453 3.701 1.00 0.00 C ATOM 0 H LEU A 71 -0.160 6.418 1.861 1.00 0.00 H new ATOM 0 HA LEU A 71 2.569 6.786 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.071 6.642 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.460 7.176 4.952 1.00 0.00 H new ATOM 0 HG LEU A 71 0.190 8.574 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.779 10.182 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.463 8.553 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.242 9.157 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.541 10.472 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.168 9.457 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.550 9.053 3.032 1.00 0.00 H new ATOM 1006 N GLU A 72 0.834 4.059 3.410 1.00 0.00 N ATOM 1007 CA GLU A 72 0.939 2.682 3.876 1.00 0.00 C ATOM 1008 C GLU A 72 -0.136 1.807 3.239 1.00 0.00 C ATOM 1009 O GLU A 72 -1.157 2.307 2.765 1.00 0.00 O ATOM 1010 CB GLU A 72 0.820 2.627 5.400 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.495 3.175 5.928 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.367 4.593 6.451 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.586 5.290 6.048 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.221 5.004 7.265 1.00 0.00 O ATOM 0 H GLU A 72 -0.070 4.298 3.003 1.00 0.00 H new ATOM 0 HA GLU A 72 1.916 2.299 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.931 1.593 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.642 3.191 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.240 3.151 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.860 2.529 6.726 1.00 0.00 H new ATOM 1021 N VAL A 73 0.100 0.500 3.231 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.848 -0.445 2.653 1.00 0.00 C ATOM 1023 C VAL A 73 -0.842 -1.765 3.415 1.00 0.00 C ATOM 1024 O VAL A 73 0.211 -2.365 3.630 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.533 -0.721 1.171 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.647 -1.535 0.530 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.316 0.583 0.418 1.00 0.00 C ATOM 0 H VAL A 73 0.940 0.071 3.618 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.835 0.011 2.729 1.00 0.00 H new ATOM 0 HB VAL A 73 0.388 -1.302 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.406 -1.720 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.749 -2.486 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.585 -0.983 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.095 0.367 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.217 1.193 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.520 1.125 0.861 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.025 -2.214 3.822 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.157 -3.463 4.561 1.00 0.00 C ATOM 1039 C ASN A 74 -1.376 -3.407 5.871 1.00 0.00 C ATOM 1040 O ASN A 74 -0.879 -4.425 6.353 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.667 -4.637 3.712 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.758 -5.199 2.820 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.845 -5.535 3.289 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.473 -5.303 1.528 1.00 0.00 N ATOM 0 H ASN A 74 -2.907 -1.730 3.652 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.212 -3.607 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.829 -4.312 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.294 -5.425 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.169 -5.674 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.558 -5.012 1.182 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.271 -2.211 6.441 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.551 -2.045 7.689 1.00 0.00 C ATOM 1053 C GLY A 75 0.952 -2.025 7.496 1.00 0.00 C ATOM 1054 O GLY A 75 1.706 -2.397 8.396 1.00 0.00 O ATOM 0 H GLY A 75 -1.672 -1.354 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.865 -1.116 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.816 -2.856 8.368 1.00 0.00 H new ATOM 1058 N ARG A 76 1.390 -1.593 6.319 1.00 0.00 N ATOM 1059 CA ARG A 76 2.815 -1.527 6.010 1.00 0.00 C ATOM 1060 C ARG A 76 3.191 -0.152 5.471 1.00 0.00 C ATOM 1061 O ARG A 76 2.482 0.417 4.640 1.00 0.00 O ATOM 1062 CB ARG A 76 3.189 -2.607 4.993 1.00 0.00 C ATOM 1063 CG ARG A 76 4.664 -2.614 4.629 1.00 0.00 C ATOM 1064 CD ARG A 76 5.075 -3.934 3.995 1.00 0.00 C ATOM 1065 NE ARG A 76 5.338 -4.964 4.997 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.052 -6.063 4.763 1.00 0.00 C ATOM 1067 NH1 ARG A 76 6.575 -6.279 3.562 1.00 0.00 N ATOM 1068 NH2 ARG A 76 6.243 -6.948 5.731 1.00 0.00 N ATOM 0 H ARG A 76 0.780 -1.283 5.563 1.00 0.00 H new ATOM 0 HA ARG A 76 3.370 -1.700 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.918 -3.583 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.600 -2.461 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.873 -1.797 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.261 -2.437 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.287 -4.274 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.968 -3.782 3.388 1.00 0.00 H new ATOM 0 HE ARG A 76 4.951 -4.833 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.431 -5.601 2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.121 -7.123 3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.843 -6.787 6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.790 -7.790 5.552 1.00 0.00 H new ATOM 1082 N SER A 77 4.314 0.379 5.947 1.00 0.00 N ATOM 1083 CA SER A 77 4.785 1.688 5.511 1.00 0.00 C ATOM 1084 C SER A 77 5.202 1.655 4.045 1.00 0.00 C ATOM 1085 O SER A 77 6.128 0.936 3.667 1.00 0.00 O ATOM 1086 CB SER A 77 5.960 2.144 6.377 1.00 0.00 C ATOM 1087 OG SER A 77 5.703 1.911 7.751 1.00 0.00 O ATOM 0 H SER A 77 4.914 -0.078 6.634 1.00 0.00 H new ATOM 0 HA SER A 77 3.965 2.397 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.864 1.613 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.145 3.206 6.214 1.00 0.00 H new ATOM 0 HG SER A 77 6.470 2.210 8.283 1.00 0.00 H new ATOM 1093 N PHE A 78 4.512 2.437 3.220 1.00 0.00 N ATOM 1094 CA PHE A 78 4.809 2.498 1.794 1.00 0.00 C ATOM 1095 C PHE A 78 5.565 3.777 1.449 1.00 0.00 C ATOM 1096 O PHE A 78 5.441 4.304 0.343 1.00 0.00 O ATOM 1097 CB PHE A 78 3.516 2.414 0.979 1.00 0.00 C ATOM 1098 CG PHE A 78 3.278 1.062 0.368 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.043 -0.043 1.168 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.288 0.899 -1.008 1.00 0.00 C ATOM 1101 CE1 PHE A 78 2.824 -1.288 0.608 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.070 -0.342 -1.574 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.837 -1.437 -0.766 1.00 0.00 C ATOM 0 H PHE A 78 3.743 3.038 3.516 1.00 0.00 H new ATOM 0 HA PHE A 78 5.443 1.648 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.673 2.666 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.547 3.162 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.031 0.069 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.468 1.752 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.643 -2.143 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.082 -0.456 -2.648 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.665 -2.408 -1.207 1.00 0.00 H new ATOM 1113 N LEU A 79 6.346 4.275 2.402 1.00 0.00 N ATOM 1114 CA LEU A 79 7.120 5.494 2.196 1.00 0.00 C ATOM 1115 C LEU A 79 8.586 5.169 1.925 1.00 0.00 C ATOM 1116 O LEU A 79 9.269 5.895 1.202 1.00 0.00 O ATOM 1117 CB LEU A 79 7.004 6.408 3.416 1.00 0.00 C ATOM 1118 CG LEU A 79 5.669 7.140 3.552 1.00 0.00 C ATOM 1119 CD1 LEU A 79 5.636 7.961 4.833 1.00 0.00 C ATOM 1120 CD2 LEU A 79 5.424 8.028 2.341 1.00 0.00 C ATOM 0 H LEU A 79 6.460 3.854 3.324 1.00 0.00 H new ATOM 0 HA LEU A 79 6.715 6.010 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.167 5.812 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.804 7.147 3.374 1.00 0.00 H new ATOM 0 HG LEU A 79 4.873 6.397 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.678 8.474 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.766 7.302 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.441 8.696 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.469 8.542 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.225 8.763 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.402 7.416 1.439 1.00 0.00 H new ATOM 1132 N ASN A 80 9.062 4.074 2.509 1.00 0.00 N ATOM 1133 CA ASN A 80 10.447 3.653 2.330 1.00 0.00 C ATOM 1134 C ASN A 80 10.516 2.237 1.765 1.00 0.00 C ATOM 1135 O ASN A 80 11.428 1.475 2.083 1.00 0.00 O ATOM 1136 CB ASN A 80 11.199 3.721 3.660 1.00 0.00 C ATOM 1137 CG ASN A 80 10.511 2.928 4.754 1.00 0.00 C ATOM 1138 OD1 ASN A 80 9.648 3.446 5.462 1.00 0.00 O ATOM 1139 ND2 ASN A 80 10.892 1.664 4.898 1.00 0.00 N ATOM 0 H ASN A 80 8.509 3.462 3.110 1.00 0.00 H new ATOM 0 HA ASN A 80 10.918 4.332 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.211 3.341 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.289 4.762 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.465 1.082 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.612 1.276 4.288 1.00 0.00 H new ATOM 1146 N ILE A 81 9.546 1.894 0.924 1.00 0.00 N ATOM 1147 CA ILE A 81 9.495 0.571 0.315 1.00 0.00 C ATOM 1148 C ILE A 81 10.089 0.593 -1.091 1.00 0.00 C ATOM 1149 O ILE A 81 10.095 1.627 -1.758 1.00 0.00 O ATOM 1150 CB ILE A 81 8.049 0.039 0.248 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.030 -1.391 -0.298 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.184 0.951 -0.610 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.781 -2.162 0.071 1.00 0.00 C ATOM 0 H ILE A 81 8.785 2.514 0.649 1.00 0.00 H new ATOM 0 HA ILE A 81 10.086 -0.094 0.945 1.00 0.00 H new ATOM 0 HB ILE A 81 7.638 0.027 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.119 -1.358 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.902 -1.926 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.167 0.560 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.173 1.952 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.592 0.995 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.836 -3.166 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.700 -2.226 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.906 -1.649 -0.328 1.00 0.00 H new ATOM 1165 N LEU A 82 10.588 -0.557 -1.534 1.00 0.00 N ATOM 1166 CA LEU A 82 11.184 -0.671 -2.859 1.00 0.00 C ATOM 1167 C LEU A 82 10.120 -0.556 -3.946 1.00 0.00 C ATOM 1168 O LEU A 82 8.944 -0.831 -3.709 1.00 0.00 O ATOM 1169 CB LEU A 82 11.930 -2.002 -2.994 1.00 0.00 C ATOM 1170 CG LEU A 82 13.441 -1.921 -2.781 1.00 0.00 C ATOM 1171 CD1 LEU A 82 14.030 -3.312 -2.601 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.107 -1.206 -3.948 1.00 0.00 C ATOM 0 H LEU A 82 10.591 -1.422 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 82 11.893 0.148 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.514 -2.708 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.740 -2.409 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 82 13.630 -1.348 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.107 -3.234 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.576 -3.790 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.830 -3.910 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.183 -1.158 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.909 -1.752 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.707 -0.195 -4.032 1.00 0.00 H new ATOM 1184 N HIS A 83 10.541 -0.147 -5.139 1.00 0.00 N ATOM 1185 CA HIS A 83 9.625 0.003 -6.262 1.00 0.00 C ATOM 1186 C HIS A 83 9.016 -1.341 -6.651 1.00 0.00 C ATOM 1187 O HIS A 83 7.795 -1.490 -6.697 1.00 0.00 O ATOM 1188 CB HIS A 83 10.352 0.613 -7.463 1.00 0.00 C ATOM 1189 CG HIS A 83 9.453 0.896 -8.626 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.094 1.093 -8.498 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.726 1.017 -9.947 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.569 1.322 -9.688 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.539 1.281 -10.584 1.00 0.00 N ATOM 0 H HIS A 83 11.511 0.086 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 83 8.820 0.671 -5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.834 1.540 -7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.143 -0.066 -7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.696 0.923 -10.412 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.526 1.510 -9.893 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.424 1.423 -11.588 1.00 0.00 H new ATOM 1202 N ASP A 84 9.875 -2.315 -6.931 1.00 0.00 N ATOM 1203 CA ASP A 84 9.423 -3.647 -7.315 1.00 0.00 C ATOM 1204 C ASP A 84 8.611 -4.291 -6.195 1.00 0.00 C ATOM 1205 O ASP A 84 7.592 -4.935 -6.445 1.00 0.00 O ATOM 1206 CB ASP A 84 10.619 -4.533 -7.668 1.00 0.00 C ATOM 1207 CG ASP A 84 10.933 -4.516 -9.152 1.00 0.00 C ATOM 1208 OD1 ASP A 84 11.729 -3.653 -9.579 1.00 0.00 O ATOM 1209 OD2 ASP A 84 10.384 -5.364 -9.884 1.00 0.00 O ATOM 0 H ASP A 84 10.889 -2.207 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 84 8.783 -3.547 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.493 -4.197 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.415 -5.557 -7.354 1.00 0.00 H new ATOM 1214 N GLU A 85 9.071 -4.114 -4.961 1.00 0.00 N ATOM 1215 CA GLU A 85 8.387 -4.679 -3.803 1.00 0.00 C ATOM 1216 C GLU A 85 6.963 -4.145 -3.696 1.00 0.00 C ATOM 1217 O GLU A 85 6.058 -4.850 -3.249 1.00 0.00 O ATOM 1218 CB GLU A 85 9.161 -4.359 -2.522 1.00 0.00 C ATOM 1219 CG GLU A 85 8.860 -5.311 -1.376 1.00 0.00 C ATOM 1220 CD GLU A 85 9.405 -4.817 -0.050 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.621 -4.539 0.026 1.00 0.00 O ATOM 1222 OE2 GLU A 85 8.617 -4.708 0.913 1.00 0.00 O ATOM 0 H GLU A 85 9.914 -3.585 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 85 8.341 -5.760 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.229 -4.388 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.926 -3.342 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.781 -5.446 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.287 -6.289 -1.599 1.00 0.00 H new ATOM 1229 N ALA A 86 6.772 -2.897 -4.110 1.00 0.00 N ATOM 1230 CA ALA A 86 5.458 -2.269 -4.062 1.00 0.00 C ATOM 1231 C ALA A 86 4.553 -2.803 -5.166 1.00 0.00 C ATOM 1232 O ALA A 86 3.341 -2.925 -4.986 1.00 0.00 O ATOM 1233 CB ALA A 86 5.591 -0.757 -4.170 1.00 0.00 C ATOM 0 H ALA A 86 7.511 -2.301 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 86 5.001 -2.515 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.602 -0.301 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.194 -0.385 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.073 -0.501 -5.113 1.00 0.00 H new ATOM 1239 N VAL A 87 5.150 -3.121 -6.311 1.00 0.00 N ATOM 1240 CA VAL A 87 4.397 -3.642 -7.445 1.00 0.00 C ATOM 1241 C VAL A 87 4.103 -5.129 -7.273 1.00 0.00 C ATOM 1242 O VAL A 87 3.095 -5.634 -7.767 1.00 0.00 O ATOM 1243 CB VAL A 87 5.157 -3.432 -8.769 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.271 -3.780 -9.956 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.662 -1.999 -8.873 1.00 0.00 C ATOM 0 H VAL A 87 6.152 -3.027 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 87 3.458 -3.089 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 87 6.019 -4.099 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.825 -3.625 -10.882 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.964 -4.824 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.388 -3.141 -9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.196 -1.869 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.817 -1.312 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.335 -1.789 -8.042 1.00 0.00 H new ATOM 1255 N ARG A 88 4.990 -5.826 -6.570 1.00 0.00 N ATOM 1256 CA ARG A 88 4.824 -7.256 -6.333 1.00 0.00 C ATOM 1257 C ARG A 88 3.968 -7.506 -5.095 1.00 0.00 C ATOM 1258 O ARG A 88 3.241 -8.497 -5.021 1.00 0.00 O ATOM 1259 CB ARG A 88 6.190 -7.929 -6.174 1.00 0.00 C ATOM 1260 CG ARG A 88 6.451 -9.022 -7.198 1.00 0.00 C ATOM 1261 CD ARG A 88 7.793 -8.835 -7.886 1.00 0.00 C ATOM 1262 NE ARG A 88 8.426 -10.112 -8.209 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.062 -10.870 -7.320 1.00 0.00 C ATOM 1264 NH1 ARG A 88 9.155 -10.484 -6.054 1.00 0.00 N ATOM 1265 NH2 ARG A 88 9.610 -12.018 -7.697 1.00 0.00 N ATOM 0 H ARG A 88 5.831 -5.424 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 88 4.315 -7.687 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.970 -7.172 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.262 -8.355 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.426 -9.995 -6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.656 -9.020 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.654 -8.258 -8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.454 -8.256 -7.241 1.00 0.00 H new ATOM 0 HE ARG A 88 8.377 -10.442 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.738 -9.602 -5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.644 -11.070 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.544 -12.320 -8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.098 -12.599 -7.015 1.00 0.00 H new ATOM 1279 N LEU A 89 4.060 -6.603 -4.125 1.00 0.00 N ATOM 1280 CA LEU A 89 3.294 -6.726 -2.890 1.00 0.00 C ATOM 1281 C LEU A 89 1.839 -6.328 -3.109 1.00 0.00 C ATOM 1282 O LEU A 89 0.931 -6.895 -2.500 1.00 0.00 O ATOM 1283 CB LEU A 89 3.913 -5.858 -1.793 1.00 0.00 C ATOM 1284 CG LEU A 89 3.188 -5.902 -0.446 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.328 -7.276 0.191 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.726 -4.824 0.483 1.00 0.00 C ATOM 0 H LEU A 89 4.658 -5.778 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 89 3.322 -7.770 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.946 -6.171 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.940 -4.825 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 89 2.129 -5.711 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.806 -7.288 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.895 -8.028 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.383 -7.497 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.200 -4.869 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.791 -4.985 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.573 -3.844 0.030 1.00 0.00 H new ATOM 1298 N LEU A 90 1.623 -5.348 -3.982 1.00 0.00 N ATOM 1299 CA LEU A 90 0.277 -4.873 -4.281 1.00 0.00 C ATOM 1300 C LEU A 90 -0.449 -5.841 -5.210 1.00 0.00 C ATOM 1301 O LEU A 90 -1.670 -5.978 -5.149 1.00 0.00 O ATOM 1302 CB LEU A 90 0.334 -3.484 -4.917 1.00 0.00 C ATOM 1303 CG LEU A 90 0.404 -2.320 -3.927 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.723 -1.021 -4.652 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.903 -2.197 -3.158 1.00 0.00 C ATOM 0 H LEU A 90 2.363 -4.868 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.277 -4.814 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.204 -3.437 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.546 -3.353 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 90 1.205 -2.520 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.769 -0.204 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.684 -1.113 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.055 -0.814 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.836 -1.364 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.721 -2.019 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.090 -3.119 -2.608 1.00 0.00 H new ATOM 1317 N LYS A 91 0.313 -6.509 -6.071 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.259 -7.463 -7.015 1.00 0.00 C ATOM 1319 C LYS A 91 -0.015 -8.897 -6.555 1.00 0.00 C ATOM 1320 O LYS A 91 0.333 -9.766 -7.354 1.00 0.00 O ATOM 1321 CB LYS A 91 0.338 -7.254 -8.409 1.00 0.00 C ATOM 1322 CG LYS A 91 0.462 -5.791 -8.805 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.894 -5.185 -9.132 1.00 0.00 C ATOM 1324 CE LYS A 91 -0.816 -4.262 -10.337 1.00 0.00 C ATOM 1325 NZ LYS A 91 0.042 -3.075 -10.073 1.00 0.00 N ATOM 0 H LYS A 91 1.326 -6.408 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.335 -7.292 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.324 -7.717 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.283 -7.769 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.925 -5.231 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.120 -5.702 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.612 -5.981 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.263 -4.629 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.421 -4.813 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.819 -3.932 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.028 -2.446 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.319 -2.563 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.018 -3.386 -9.891 1.00 0.00 H new ATOM 1339 N SER A 92 -0.200 -9.137 -5.260 1.00 0.00 N ATOM 1340 CA SER A 92 -0.003 -10.466 -4.694 1.00 0.00 C ATOM 1341 C SER A 92 -1.053 -10.767 -3.629 1.00 0.00 C ATOM 1342 O SER A 92 -1.703 -11.811 -3.662 1.00 0.00 O ATOM 1343 CB SER A 92 1.399 -10.581 -4.090 1.00 0.00 C ATOM 1344 OG SER A 92 1.591 -11.848 -3.486 1.00 0.00 O ATOM 0 H SER A 92 -0.486 -8.429 -4.584 1.00 0.00 H new ATOM 0 HA SER A 92 -0.108 -11.195 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.147 -10.428 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.545 -9.795 -3.349 1.00 0.00 H new ATOM 0 HG SER A 92 2.494 -11.897 -3.109 1.00 0.00 H new ATOM 1350 N SER A 93 -1.212 -9.843 -2.686 1.00 0.00 N ATOM 1351 CA SER A 93 -2.183 -10.010 -1.610 1.00 0.00 C ATOM 1352 C SER A 93 -3.600 -9.741 -2.109 1.00 0.00 C ATOM 1353 O SER A 93 -3.827 -8.825 -2.899 1.00 0.00 O ATOM 1354 CB SER A 93 -1.854 -9.071 -0.448 1.00 0.00 C ATOM 1355 OG SER A 93 -2.854 -9.130 0.554 1.00 0.00 O ATOM 0 H SER A 93 -0.682 -8.972 -2.645 1.00 0.00 H new ATOM 0 HA SER A 93 -2.128 -11.042 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.889 -9.342 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.764 -8.049 -0.816 1.00 0.00 H new ATOM 0 HG SER A 93 -3.418 -8.330 0.501 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.548 -10.546 -1.641 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.943 -10.394 -2.039 1.00 0.00 C ATOM 1363 C ARG A 94 -6.522 -9.086 -1.507 1.00 0.00 C ATOM 1364 O ARG A 94 -7.052 -8.276 -2.266 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.771 -11.575 -1.531 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.460 -12.884 -2.240 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.160 -13.491 -1.741 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.123 -14.940 -1.933 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.856 -15.527 -3.097 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -4.600 -14.795 -4.174 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -4.843 -16.850 -3.184 1.00 0.00 N ATOM 0 H ARG A 94 -4.376 -11.309 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.984 -10.372 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.595 -11.699 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.830 -11.346 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.277 -13.588 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.393 -12.711 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.321 -13.034 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.036 -13.262 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.313 -15.536 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.607 -13.777 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.396 -15.251 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.038 -17.417 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.638 -17.300 -4.076 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.413 -8.888 -0.197 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.925 -7.678 0.436 1.00 0.00 C ATOM 1387 C HIS A 95 -5.916 -6.540 0.327 1.00 0.00 C ATOM 1388 O HIS A 95 -4.721 -6.732 0.556 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.251 -7.946 1.907 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.477 -7.233 2.388 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.387 -7.799 3.256 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.941 -5.989 2.119 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.357 -6.936 3.499 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.110 -5.830 2.821 1.00 0.00 N ATOM 0 H HIS A 95 -5.976 -9.548 0.446 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.837 -7.383 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.384 -9.018 2.052 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.401 -7.645 2.520 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.478 -5.258 1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.207 -7.106 4.143 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.693 -4.993 2.819 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.403 -5.354 -0.024 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.543 -4.186 -0.163 1.00 0.00 C ATOM 1405 C LEU A 96 -6.197 -2.953 0.451 1.00 0.00 C ATOM 1406 O LEU A 96 -7.299 -2.563 0.062 1.00 0.00 O ATOM 1407 CB LEU A 96 -5.231 -3.932 -1.639 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.637 -5.126 -2.389 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.769 -4.932 -3.891 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.179 -5.326 -2.000 1.00 0.00 C ATOM 0 H LEU A 96 -7.389 -5.177 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.613 -4.384 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.149 -3.627 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.536 -3.096 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.193 -6.021 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.341 -5.791 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.822 -4.838 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.238 -4.028 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.771 -6.179 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.609 -4.431 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.111 -5.511 -0.928 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.511 -2.341 1.410 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.023 -1.151 2.077 1.00 0.00 C ATOM 1424 C ILE A 97 -4.979 -0.040 2.097 1.00 0.00 C ATOM 1425 O ILE A 97 -4.264 0.138 3.084 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.456 -1.459 3.524 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.348 -2.702 3.560 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.179 -0.264 4.126 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.573 -4.002 3.534 1.00 0.00 C ATOM 0 H ILE A 97 -4.598 -2.650 1.743 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.892 -0.820 1.508 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.565 -1.658 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.963 -2.673 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.028 -2.676 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.478 -0.497 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.514 0.599 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.064 -0.037 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.268 -4.841 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.979 -4.053 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.913 -4.049 4.400 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.893 0.705 1.000 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.934 1.799 0.890 1.00 0.00 C ATOM 1443 C LEU A 98 -4.392 3.009 1.697 1.00 0.00 C ATOM 1444 O LEU A 98 -5.588 3.220 1.897 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.743 2.192 -0.576 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.187 1.088 -1.476 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.299 0.152 -1.922 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.478 1.688 -2.681 1.00 0.00 C ATOM 0 H LEU A 98 -5.476 0.571 0.174 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.982 1.455 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.703 2.517 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.071 3.049 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.462 0.510 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.884 -0.627 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.763 -0.305 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.049 0.716 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.089 0.887 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.182 2.291 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.654 2.317 -2.343 1.00 0.00 H new ATOM 1460 N THR A 99 -3.430 3.804 2.157 1.00 0.00 N ATOM 1461 CA THR A 99 -3.732 4.995 2.941 1.00 0.00 C ATOM 1462 C THR A 99 -3.056 6.224 2.343 1.00 0.00 C ATOM 1463 O THR A 99 -1.937 6.575 2.720 1.00 0.00 O ATOM 1464 CB THR A 99 -3.281 4.805 4.390 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.792 3.595 4.920 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.719 5.928 5.306 1.00 0.00 C ATOM 0 H THR A 99 -2.435 3.644 2.000 1.00 0.00 H new ATOM 0 HA THR A 99 -4.811 5.149 2.921 1.00 0.00 H new ATOM 0 HB THR A 99 -2.192 4.792 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.491 3.491 5.847 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.366 5.730 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.300 6.870 4.953 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.807 5.993 5.307 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.740 6.876 1.408 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.205 8.064 0.758 1.00 0.00 C ATOM 1476 C VAL A 100 -3.798 9.334 1.358 1.00 0.00 C ATOM 1477 O VAL A 100 -4.863 9.303 1.976 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.481 8.049 -0.757 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.722 6.917 -1.428 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -4.975 7.932 -1.026 1.00 0.00 C ATOM 0 H VAL A 100 -4.667 6.600 1.084 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.128 8.056 0.924 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.131 8.990 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.930 6.923 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.652 7.050 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.038 5.965 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.151 7.923 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.352 7.008 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.493 8.782 -0.581 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.102 10.451 1.174 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.559 11.733 1.697 1.00 0.00 C ATOM 1492 C LYS A 101 -3.992 12.660 0.566 1.00 0.00 C ATOM 1493 O LYS A 101 -3.649 12.439 -0.597 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.452 12.396 2.519 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.143 12.552 1.761 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.553 13.941 1.942 1.00 0.00 C ATOM 1497 CE LYS A 101 0.200 14.393 0.701 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.368 15.251 1.042 1.00 0.00 N ATOM 0 H LYS A 101 -2.219 10.494 0.666 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.419 11.548 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.792 13.378 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.274 11.805 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.429 11.805 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.311 12.363 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.351 14.650 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.121 13.942 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.541 13.520 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.476 14.943 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.855 15.538 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.041 16.097 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.026 14.718 1.646 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.746 13.697 0.913 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.226 14.658 -0.074 1.00 0.00 C ATOM 1514 C ASP A 102 -4.078 15.509 -0.608 1.00 0.00 C ATOM 1515 O ASP A 102 -3.706 16.515 -0.004 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.301 15.558 0.540 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.424 14.763 1.177 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.838 13.742 0.588 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -7.888 15.161 2.267 1.00 0.00 O ATOM 0 H ASP A 102 -5.038 13.894 1.870 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.659 14.102 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.845 16.204 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.712 16.208 -0.233 1.00 0.00 H new