USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 93 MET CE :methyl 171:sc= -0.0069 (180deg=-0.114) USER MOD Set 1.2: A 97 MET CE :methyl 180:sc=-0.000948 (180deg=0) USER MOD Set 2.1: A 70 LYS NZ :NH3+ -171:sc= -0.0158 (180deg=-0.125) USER MOD Set 2.2: A 74 SER OG : rot 83:sc= 1.23 USER MOD Set 3.1: A 29 GLN : amide:sc= 0.351 K(o=1.5,f=-0.39) USER MOD Set 3.2: A 98 SER OG : rot 4:sc= 1.16 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0549) USER MOD Single : A 31 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.23) USER MOD Single : A 45 THR OG1 : rot -68:sc= 0.494 USER MOD Single : A 47 THR OG1 : rot 104:sc= 0.0211 USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= 0.712 (180deg=-0.171) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc=-0.00838 (180deg=-0.0733) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 2.34 (180deg=2.17) USER MOD Single : A 72 MET CE :methyl 169:sc= 0 (180deg=-0.17) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 0.418 (180deg=0.284) USER MOD Single : A 81 THR OG1 : rot -54:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.12) USER MOD Single : A 84 MET CE :methyl -130:sc= -0.14 (180deg=-0.168) USER MOD Single : A 85 ASN : amide:sc= 0.91 K(o=0.91,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -73:sc= 0.574 USER MOD Single : A 94 THR OG1 : rot -75:sc= 0.46 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.779 (180deg=0.603) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -5.516 -8.003 -26.309 1.00 0.00 N ATOM 384 CA LEU A 25 -5.424 -8.244 -24.846 1.00 0.00 C ATOM 385 C LEU A 25 -6.013 -9.644 -24.522 1.00 0.00 C ATOM 386 O LEU A 25 -7.205 -9.807 -24.242 1.00 0.00 O ATOM 387 CB LEU A 25 -6.283 -7.222 -24.063 1.00 0.00 C ATOM 388 CG LEU A 25 -5.865 -5.749 -24.269 1.00 0.00 C ATOM 389 CD1 LEU A 25 -7.013 -4.801 -23.875 1.00 0.00 C ATOM 390 CD2 LEU A 25 -4.558 -5.409 -23.529 1.00 0.00 C ATOM 0 HA LEU A 25 -4.375 -8.161 -24.561 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.325 -7.337 -24.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.228 -7.458 -23.000 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.661 -5.606 -25.330 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.700 -3.768 -24.027 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.886 -5.010 -24.493 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.266 -4.953 -22.826 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.303 -4.364 -23.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.690 -5.578 -22.460 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.754 -6.045 -23.900 1.00 0.00 H new ATOM 402 N THR A 26 -5.137 -10.654 -24.565 1.00 0.00 N ATOM 403 CA THR A 26 -5.565 -12.085 -24.501 1.00 0.00 C ATOM 404 C THR A 26 -5.662 -12.550 -23.022 1.00 0.00 C ATOM 405 O THR A 26 -6.714 -12.437 -22.392 1.00 0.00 O ATOM 406 CB THR A 26 -4.625 -12.956 -25.329 1.00 0.00 C ATOM 407 OG1 THR A 26 -3.255 -12.651 -25.056 1.00 0.00 O ATOM 408 CG2 THR A 26 -4.908 -12.668 -26.819 1.00 0.00 C ATOM 0 H THR A 26 -4.128 -10.524 -24.643 1.00 0.00 H new ATOM 0 HA THR A 26 -6.560 -12.188 -24.935 1.00 0.00 H new ATOM 0 HB THR A 26 -4.796 -14.003 -25.079 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.677 -13.226 -25.600 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.250 -13.277 -27.439 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.946 -12.910 -27.046 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.728 -11.613 -27.026 1.00 0.00 H new ATOM 416 N GLU A 27 -4.564 -13.082 -22.495 1.00 0.00 N ATOM 417 CA GLU A 27 -4.466 -13.596 -21.104 1.00 0.00 C ATOM 418 C GLU A 27 -3.190 -12.979 -20.461 1.00 0.00 C ATOM 419 O GLU A 27 -3.304 -12.211 -19.504 1.00 0.00 O ATOM 420 CB GLU A 27 -4.350 -15.136 -21.049 1.00 0.00 C ATOM 421 CG GLU A 27 -5.604 -15.843 -21.597 1.00 0.00 C ATOM 422 CD GLU A 27 -5.419 -17.352 -21.489 1.00 0.00 C ATOM 423 OE1 GLU A 27 -4.482 -17.877 -22.147 1.00 0.00 O ATOM 424 OE2 GLU A 27 -6.207 -17.994 -20.746 1.00 0.00 O ATOM 0 H GLU A 27 -3.694 -13.177 -23.019 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.374 -13.317 -20.570 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.479 -15.452 -21.623 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.183 -15.448 -20.018 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.485 -15.532 -21.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.771 -15.559 -22.636 1.00 0.00 H new ATOM 431 N GLU A 28 -2.006 -13.235 -21.052 1.00 0.00 N ATOM 432 CA GLU A 28 -0.732 -12.555 -20.694 1.00 0.00 C ATOM 433 C GLU A 28 -0.768 -10.995 -20.843 1.00 0.00 C ATOM 434 O GLU A 28 -0.518 -10.318 -19.844 1.00 0.00 O ATOM 435 CB GLU A 28 0.423 -13.116 -21.554 1.00 0.00 C ATOM 436 CG GLU A 28 1.830 -12.639 -21.148 1.00 0.00 C ATOM 437 CD GLU A 28 2.849 -13.407 -21.986 1.00 0.00 C ATOM 438 OE1 GLU A 28 2.783 -13.297 -23.239 1.00 0.00 O ATOM 439 OE2 GLU A 28 3.684 -14.137 -21.387 1.00 0.00 O ATOM 0 H GLU A 28 -1.900 -13.923 -21.797 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.576 -12.763 -19.635 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.397 -14.205 -21.504 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.248 -12.840 -22.594 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.931 -11.566 -21.314 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.000 -12.815 -20.086 1.00 0.00 H new ATOM 446 N GLN A 29 -1.117 -10.406 -22.016 1.00 0.00 N ATOM 447 CA GLN A 29 -1.116 -8.910 -22.163 1.00 0.00 C ATOM 448 C GLN A 29 -2.245 -8.199 -21.327 1.00 0.00 C ATOM 449 O GLN A 29 -2.000 -7.153 -20.719 1.00 0.00 O ATOM 450 CB GLN A 29 -1.117 -8.440 -23.636 1.00 0.00 C ATOM 451 CG GLN A 29 -0.735 -6.952 -23.771 1.00 0.00 C ATOM 452 CD GLN A 29 -0.245 -6.597 -25.178 1.00 0.00 C ATOM 453 OE1 GLN A 29 0.829 -6.005 -25.318 1.00 0.00 O ATOM 454 NE2 GLN A 29 -1.042 -6.940 -26.229 1.00 0.00 N ATOM 0 H GLN A 29 -1.396 -10.916 -22.854 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.165 -8.593 -21.734 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.417 -9.047 -24.210 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.105 -8.600 -24.067 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.599 -6.335 -23.524 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.044 -6.713 -23.047 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.922 -7.429 -26.064 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.759 -6.708 -27.181 1.00 0.00 H new ATOM 463 N LYS A 30 -3.454 -8.792 -21.258 1.00 0.00 N ATOM 464 CA LYS A 30 -4.553 -8.372 -20.333 1.00 0.00 C ATOM 465 C LYS A 30 -4.113 -8.332 -18.818 1.00 0.00 C ATOM 466 O LYS A 30 -4.263 -7.300 -18.145 1.00 0.00 O ATOM 467 CB LYS A 30 -5.728 -9.362 -20.501 1.00 0.00 C ATOM 468 CG LYS A 30 -7.011 -9.014 -19.735 1.00 0.00 C ATOM 469 CD LYS A 30 -8.154 -9.976 -20.099 1.00 0.00 C ATOM 470 CE LYS A 30 -9.456 -9.731 -19.326 1.00 0.00 C ATOM 471 NZ LYS A 30 -9.271 -9.971 -17.877 1.00 0.00 N ATOM 0 H LYS A 30 -3.708 -9.586 -21.845 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.840 -7.354 -20.598 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.969 -9.433 -21.562 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.394 -10.350 -20.183 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.821 -9.060 -18.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.307 -7.990 -19.963 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.358 -9.892 -21.166 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.824 -10.999 -19.917 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.791 -8.706 -19.488 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.238 -10.386 -19.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.191 -9.914 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.862 -10.916 -17.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.630 -9.252 -17.485 1.00 0.00 H new ATOM 485 N GLN A 31 -3.522 -9.445 -18.322 1.00 0.00 N ATOM 486 CA GLN A 31 -2.850 -9.508 -16.996 1.00 0.00 C ATOM 487 C GLN A 31 -1.733 -8.434 -16.802 1.00 0.00 C ATOM 488 O GLN A 31 -1.812 -7.725 -15.805 1.00 0.00 O ATOM 489 CB GLN A 31 -2.239 -10.915 -16.746 1.00 0.00 C ATOM 490 CG GLN A 31 -1.442 -11.108 -15.435 1.00 0.00 C ATOM 491 CD GLN A 31 0.070 -10.936 -15.677 1.00 0.00 C ATOM 492 OE1 GLN A 31 0.653 -11.691 -16.463 1.00 0.00 O ATOM 493 NE2 GLN A 31 0.703 -9.942 -14.989 1.00 0.00 N ATOM 0 H GLN A 31 -3.496 -10.329 -18.830 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.636 -9.298 -16.271 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.049 -11.644 -16.761 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.581 -11.152 -17.582 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.779 -10.386 -14.691 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.638 -12.100 -15.029 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.174 -9.346 -14.352 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.705 -9.795 -15.112 1.00 0.00 H new ATOM 502 N GLU A 32 -0.752 -8.275 -17.715 1.00 0.00 N ATOM 503 CA GLU A 32 0.310 -7.218 -17.616 1.00 0.00 C ATOM 504 C GLU A 32 -0.199 -5.758 -17.377 1.00 0.00 C ATOM 505 O GLU A 32 0.246 -5.095 -16.432 1.00 0.00 O ATOM 506 CB GLU A 32 1.187 -7.186 -18.888 1.00 0.00 C ATOM 507 CG GLU A 32 2.103 -8.414 -19.026 1.00 0.00 C ATOM 508 CD GLU A 32 2.894 -8.298 -20.325 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.250 -8.151 -21.399 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.150 -8.340 -20.260 1.00 0.00 O ATOM 0 H GLU A 32 -0.662 -8.865 -18.542 1.00 0.00 H new ATOM 0 HA GLU A 32 0.869 -7.519 -16.730 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.542 -7.122 -19.764 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.799 -6.284 -18.876 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.782 -8.475 -18.176 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.510 -9.328 -19.026 1.00 0.00 H new ATOM 517 N ILE A 33 -1.142 -5.259 -18.200 1.00 0.00 N ATOM 518 CA ILE A 33 -1.681 -3.875 -18.048 1.00 0.00 C ATOM 519 C ILE A 33 -2.529 -3.702 -16.740 1.00 0.00 C ATOM 520 O ILE A 33 -2.273 -2.711 -16.040 1.00 0.00 O ATOM 521 CB ILE A 33 -2.490 -3.405 -19.275 1.00 0.00 C ATOM 522 CG1 ILE A 33 -1.574 -3.050 -20.477 1.00 0.00 C ATOM 523 CG2 ILE A 33 -3.348 -2.160 -18.950 1.00 0.00 C ATOM 524 CD1 ILE A 33 -1.098 -4.230 -21.325 1.00 0.00 C ATOM 0 H ILE A 33 -1.550 -5.782 -18.975 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.802 -3.235 -17.969 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.134 -4.244 -19.541 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.109 -2.355 -21.124 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.698 -2.523 -20.098 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.903 -1.859 -19.838 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.047 -2.399 -18.149 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.699 -1.343 -18.633 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.466 -3.865 -22.135 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.528 -4.919 -20.702 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.961 -4.749 -21.744 1.00 0.00 H new ATOM 536 N ARG A 34 -3.495 -4.598 -16.360 1.00 0.00 N ATOM 537 CA ARG A 34 -4.147 -4.450 -15.026 1.00 0.00 C ATOM 538 C ARG A 34 -3.162 -4.736 -13.845 1.00 0.00 C ATOM 539 O ARG A 34 -3.170 -3.926 -12.919 1.00 0.00 O ATOM 540 CB ARG A 34 -5.452 -5.259 -14.803 1.00 0.00 C ATOM 541 CG ARG A 34 -6.163 -4.780 -13.520 1.00 0.00 C ATOM 542 CD ARG A 34 -7.554 -5.352 -13.224 1.00 0.00 C ATOM 543 NE ARG A 34 -8.002 -4.702 -11.944 1.00 0.00 N ATOM 544 CZ ARG A 34 -9.155 -4.988 -11.271 1.00 0.00 C ATOM 545 NH1 ARG A 34 -10.043 -5.908 -11.740 1.00 0.00 N ATOM 546 NH2 ARG A 34 -9.391 -4.319 -10.103 1.00 0.00 N ATOM 0 H ARG A 34 -3.821 -5.383 -16.923 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.442 -3.401 -15.032 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.114 -5.139 -15.661 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.221 -6.321 -14.725 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.518 -5.010 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.250 -3.695 -13.569 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.247 -5.134 -14.036 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.516 -6.436 -13.119 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.393 -3.987 -11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.854 -6.401 -12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.898 -6.104 -11.219 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.717 -3.633 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.241 -4.505 -9.572 1.00 0.00 H new ATOM 560 N GLU A 35 -2.317 -5.792 -13.853 1.00 0.00 N ATOM 561 CA GLU A 35 -1.265 -6.008 -12.816 1.00 0.00 C ATOM 562 C GLU A 35 -0.426 -4.746 -12.486 1.00 0.00 C ATOM 563 O GLU A 35 -0.467 -4.342 -11.325 1.00 0.00 O ATOM 564 CB GLU A 35 -0.330 -7.189 -13.170 1.00 0.00 C ATOM 565 CG GLU A 35 0.723 -7.559 -12.104 1.00 0.00 C ATOM 566 CD GLU A 35 2.099 -7.032 -12.510 1.00 0.00 C ATOM 567 OE1 GLU A 35 2.609 -7.503 -13.562 1.00 0.00 O ATOM 568 OE2 GLU A 35 2.652 -6.164 -11.785 1.00 0.00 O ATOM 0 H GLU A 35 -2.339 -6.517 -14.570 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.824 -6.256 -11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.945 -8.068 -13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.189 -6.950 -14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.436 -7.140 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.762 -8.642 -11.983 1.00 0.00 H new ATOM 575 N ALA A 36 0.233 -4.078 -13.455 1.00 0.00 N ATOM 576 CA ALA A 36 1.034 -2.867 -13.120 1.00 0.00 C ATOM 577 C ALA A 36 0.203 -1.589 -12.780 1.00 0.00 C ATOM 578 O ALA A 36 0.490 -0.930 -11.769 1.00 0.00 O ATOM 579 CB ALA A 36 1.974 -2.487 -14.277 1.00 0.00 C ATOM 0 H ALA A 36 0.233 -4.338 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 36 1.576 -3.166 -12.223 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.546 -1.600 -14.005 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.657 -3.312 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.386 -2.279 -15.171 1.00 0.00 H new ATOM 585 N PHE A 37 -0.810 -1.211 -13.596 1.00 0.00 N ATOM 586 CA PHE A 37 -1.588 0.032 -13.327 1.00 0.00 C ATOM 587 C PHE A 37 -2.467 -0.058 -12.044 1.00 0.00 C ATOM 588 O PHE A 37 -2.407 0.875 -11.244 1.00 0.00 O ATOM 589 CB PHE A 37 -2.525 0.360 -14.516 1.00 0.00 C ATOM 590 CG PHE A 37 -2.783 1.840 -14.593 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.744 2.463 -13.772 1.00 0.00 C ATOM 592 CD2 PHE A 37 -2.037 2.629 -15.483 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.928 3.851 -13.822 1.00 0.00 C ATOM 594 CE2 PHE A 37 -2.236 4.007 -15.550 1.00 0.00 C ATOM 595 CZ PHE A 37 -3.165 4.620 -14.706 1.00 0.00 C ATOM 0 H PHE A 37 -1.105 -1.729 -14.424 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.843 0.814 -13.184 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.075 0.015 -15.447 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.468 -0.174 -14.401 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.343 1.866 -13.100 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.301 2.163 -16.122 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.656 4.325 -13.180 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.672 4.601 -16.254 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.294 5.692 -14.736 1.00 0.00 H new ATOM 605 N ASP A 38 -3.217 -1.154 -11.807 1.00 0.00 N ATOM 606 CA ASP A 38 -3.896 -1.394 -10.502 1.00 0.00 C ATOM 607 C ASP A 38 -2.885 -1.555 -9.294 1.00 0.00 C ATOM 608 O ASP A 38 -3.182 -1.032 -8.221 1.00 0.00 O ATOM 609 CB ASP A 38 -4.768 -2.680 -10.603 1.00 0.00 C ATOM 610 CG ASP A 38 -5.905 -2.767 -9.584 1.00 0.00 C ATOM 611 OD1 ASP A 38 -5.629 -2.882 -8.364 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.084 -2.783 -10.037 1.00 0.00 O ATOM 0 H ASP A 38 -3.372 -1.890 -12.496 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.508 -0.515 -10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.193 -2.736 -11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.123 -3.550 -10.481 1.00 0.00 H new ATOM 617 N LEU A 39 -1.670 -2.166 -9.439 1.00 0.00 N ATOM 618 CA LEU A 39 -0.592 -2.136 -8.395 1.00 0.00 C ATOM 619 C LEU A 39 -0.333 -0.707 -7.803 1.00 0.00 C ATOM 620 O LEU A 39 -0.401 -0.494 -6.589 1.00 0.00 O ATOM 621 CB LEU A 39 0.785 -2.698 -8.860 1.00 0.00 C ATOM 622 CG LEU A 39 1.275 -3.936 -8.067 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.347 -5.160 -8.200 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.716 -4.300 -8.475 1.00 0.00 C ATOM 0 H LEU A 39 -1.410 -2.689 -10.275 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.002 -2.795 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.718 -2.962 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.532 -1.909 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 39 1.254 -3.654 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.752 -5.989 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.645 -4.906 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.277 -5.452 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.045 -5.171 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.746 -4.527 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.377 -3.459 -8.264 1.00 0.00 H new ATOM 636 N PHE A 40 0.035 0.232 -8.693 1.00 0.00 N ATOM 637 CA PHE A 40 0.371 1.631 -8.321 1.00 0.00 C ATOM 638 C PHE A 40 -0.876 2.562 -8.108 1.00 0.00 C ATOM 639 O PHE A 40 -0.862 3.373 -7.178 1.00 0.00 O ATOM 640 CB PHE A 40 1.425 2.249 -9.254 1.00 0.00 C ATOM 641 CG PHE A 40 2.687 1.438 -9.067 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.477 1.627 -7.918 1.00 0.00 C ATOM 643 CD2 PHE A 40 3.034 0.408 -9.960 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.576 0.799 -7.657 1.00 0.00 C ATOM 645 CE2 PHE A 40 4.114 -0.438 -9.688 1.00 0.00 C ATOM 646 CZ PHE A 40 4.886 -0.244 -8.537 1.00 0.00 C ATOM 0 H PHE A 40 0.110 0.049 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 40 0.828 1.558 -7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.092 2.216 -10.292 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.596 3.297 -9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.233 2.421 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.461 0.269 -10.865 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.183 0.965 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.353 -1.243 -10.368 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.720 -0.898 -8.328 1.00 0.00 H new ATOM 656 N ASP A 41 -1.941 2.436 -8.919 1.00 0.00 N ATOM 657 CA ASP A 41 -3.253 3.099 -8.692 1.00 0.00 C ATOM 658 C ASP A 41 -4.372 2.043 -8.385 1.00 0.00 C ATOM 659 O ASP A 41 -5.128 1.632 -9.270 1.00 0.00 O ATOM 660 CB ASP A 41 -3.655 3.924 -9.950 1.00 0.00 C ATOM 661 CG ASP A 41 -4.854 4.850 -9.747 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.406 4.942 -8.616 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.237 5.522 -10.742 1.00 0.00 O ATOM 0 H ASP A 41 -1.922 1.865 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.153 3.761 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.800 4.522 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.879 3.235 -10.764 1.00 0.00 H new ATOM 668 N ALA A 42 -4.486 1.619 -7.109 1.00 0.00 N ATOM 669 CA ALA A 42 -5.465 0.558 -6.698 1.00 0.00 C ATOM 670 C ALA A 42 -6.934 1.036 -6.439 1.00 0.00 C ATOM 671 O ALA A 42 -7.873 0.285 -6.712 1.00 0.00 O ATOM 672 CB ALA A 42 -5.003 -0.150 -5.411 1.00 0.00 C ATOM 0 H ALA A 42 -3.922 1.984 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.482 -0.101 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.730 -0.914 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.033 -0.617 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.919 0.579 -4.605 1.00 0.00 H new ATOM 678 N ASP A 43 -7.140 2.258 -5.918 1.00 0.00 N ATOM 679 CA ASP A 43 -8.486 2.895 -5.810 1.00 0.00 C ATOM 680 C ASP A 43 -9.160 3.272 -7.186 1.00 0.00 C ATOM 681 O ASP A 43 -10.367 3.079 -7.345 1.00 0.00 O ATOM 682 CB ASP A 43 -8.374 4.185 -4.952 1.00 0.00 C ATOM 683 CG ASP A 43 -9.742 4.725 -4.526 1.00 0.00 C ATOM 684 OD1 ASP A 43 -10.474 3.984 -3.821 1.00 0.00 O ATOM 685 OD2 ASP A 43 -10.056 5.890 -4.887 1.00 0.00 O ATOM 0 H ASP A 43 -6.385 2.841 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.126 2.142 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.777 3.977 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.845 4.951 -5.520 1.00 0.00 H new ATOM 690 N GLY A 44 -8.393 3.798 -8.160 1.00 0.00 N ATOM 691 CA GLY A 44 -8.928 4.287 -9.459 1.00 0.00 C ATOM 692 C GLY A 44 -8.948 5.823 -9.566 1.00 0.00 C ATOM 693 O GLY A 44 -10.018 6.428 -9.671 1.00 0.00 O ATOM 0 H GLY A 44 -7.382 3.899 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.324 3.880 -10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.940 3.906 -9.594 1.00 0.00 H new ATOM 697 N THR A 45 -7.761 6.444 -9.547 1.00 0.00 N ATOM 698 CA THR A 45 -7.606 7.922 -9.425 1.00 0.00 C ATOM 699 C THR A 45 -7.269 8.590 -10.793 1.00 0.00 C ATOM 700 O THR A 45 -7.994 9.502 -11.207 1.00 0.00 O ATOM 701 CB THR A 45 -6.600 8.310 -8.346 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.311 7.735 -8.546 1.00 0.00 O ATOM 703 CG2 THR A 45 -7.140 7.868 -6.968 1.00 0.00 C ATOM 0 H THR A 45 -6.873 5.946 -9.615 1.00 0.00 H new ATOM 0 HA THR A 45 -8.575 8.309 -9.109 1.00 0.00 H new ATOM 0 HB THR A 45 -6.480 9.392 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.363 6.764 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.425 8.142 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.092 8.362 -6.775 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.284 6.788 -6.963 1.00 0.00 H new ATOM 711 N GLY A 46 -6.186 8.186 -11.486 1.00 0.00 N ATOM 712 CA GLY A 46 -5.808 8.816 -12.779 1.00 0.00 C ATOM 713 C GLY A 46 -4.446 8.388 -13.339 1.00 0.00 C ATOM 714 O GLY A 46 -4.413 7.754 -14.396 1.00 0.00 O ATOM 0 H GLY A 46 -5.562 7.438 -11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.576 8.583 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.807 9.898 -12.651 1.00 0.00 H new ATOM 718 N THR A 47 -3.342 8.809 -12.693 1.00 0.00 N ATOM 719 CA THR A 47 -1.971 8.643 -13.262 1.00 0.00 C ATOM 720 C THR A 47 -1.013 7.801 -12.367 1.00 0.00 C ATOM 721 O THR A 47 -0.985 7.884 -11.136 1.00 0.00 O ATOM 722 CB THR A 47 -1.272 9.957 -13.615 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.134 10.822 -12.491 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.082 10.675 -14.715 1.00 0.00 C ATOM 0 H THR A 47 -3.362 9.265 -11.781 1.00 0.00 H new ATOM 0 HA THR A 47 -2.167 8.096 -14.184 1.00 0.00 H new ATOM 0 HB THR A 47 -0.268 9.715 -13.963 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.209 10.794 -12.168 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.592 11.613 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.139 10.039 -15.599 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.089 10.880 -14.350 1.00 0.00 H new ATOM 732 N ILE A 48 -0.188 7.021 -13.076 1.00 0.00 N ATOM 733 CA ILE A 48 0.974 6.283 -12.515 1.00 0.00 C ATOM 734 C ILE A 48 2.178 7.021 -13.196 1.00 0.00 C ATOM 735 O ILE A 48 2.275 7.131 -14.425 1.00 0.00 O ATOM 736 CB ILE A 48 1.000 4.783 -12.866 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.283 4.088 -12.345 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.813 4.533 -14.379 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.424 2.618 -12.761 1.00 0.00 C ATOM 0 H ILE A 48 -0.304 6.875 -14.079 1.00 0.00 H new ATOM 0 HA ILE A 48 0.971 6.290 -11.425 1.00 0.00 H new ATOM 0 HB ILE A 48 0.149 4.335 -12.354 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.152 4.639 -12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.297 4.147 -11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.839 3.461 -14.577 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.147 4.938 -14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.615 5.023 -14.931 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.349 2.212 -12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.577 2.049 -12.377 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.445 2.548 -13.849 1.00 0.00 H new ATOM 751 N ASP A 49 3.083 7.557 -12.376 1.00 0.00 N ATOM 752 CA ASP A 49 4.164 8.481 -12.850 1.00 0.00 C ATOM 753 C ASP A 49 5.522 7.693 -13.016 1.00 0.00 C ATOM 754 O ASP A 49 5.653 6.516 -12.660 1.00 0.00 O ATOM 755 CB ASP A 49 4.383 9.686 -11.899 1.00 0.00 C ATOM 756 CG ASP A 49 3.266 10.725 -12.053 1.00 0.00 C ATOM 757 OD1 ASP A 49 2.064 10.365 -11.924 1.00 0.00 O ATOM 758 OD2 ASP A 49 3.615 11.911 -12.296 1.00 0.00 O ATOM 0 H ASP A 49 3.105 7.378 -11.372 1.00 0.00 H new ATOM 0 HA ASP A 49 3.837 8.876 -13.812 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.418 9.336 -10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.346 10.150 -12.111 1.00 0.00 H new ATOM 763 N VAL A 50 6.543 8.318 -13.637 1.00 0.00 N ATOM 764 CA VAL A 50 7.813 7.624 -14.065 1.00 0.00 C ATOM 765 C VAL A 50 8.612 6.859 -12.958 1.00 0.00 C ATOM 766 O VAL A 50 9.169 5.810 -13.286 1.00 0.00 O ATOM 767 CB VAL A 50 8.786 8.560 -14.781 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.312 8.740 -16.236 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.916 9.907 -14.037 1.00 0.00 C ATOM 0 H VAL A 50 6.528 9.313 -13.863 1.00 0.00 H new ATOM 0 HA VAL A 50 7.417 6.868 -14.742 1.00 0.00 H new ATOM 0 HB VAL A 50 9.784 8.123 -14.788 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.996 9.406 -16.762 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.293 7.771 -16.735 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.311 9.170 -16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.615 10.551 -14.570 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.941 10.391 -13.988 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.284 9.730 -13.026 1.00 0.00 H new ATOM 779 N LYS A 51 8.683 7.314 -11.693 1.00 0.00 N ATOM 780 CA LYS A 51 9.245 6.489 -10.575 1.00 0.00 C ATOM 781 C LYS A 51 8.523 5.100 -10.377 1.00 0.00 C ATOM 782 O LYS A 51 9.145 4.038 -10.516 1.00 0.00 O ATOM 783 CB LYS A 51 9.451 7.253 -9.236 1.00 0.00 C ATOM 784 CG LYS A 51 8.253 7.991 -8.597 1.00 0.00 C ATOM 785 CD LYS A 51 7.837 9.313 -9.272 1.00 0.00 C ATOM 786 CE LYS A 51 6.899 10.190 -8.419 1.00 0.00 C ATOM 787 NZ LYS A 51 5.547 9.606 -8.282 1.00 0.00 N ATOM 0 H LYS A 51 8.364 8.240 -11.408 1.00 0.00 H new ATOM 0 HA LYS A 51 10.252 6.257 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.824 6.537 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.241 7.987 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.395 7.319 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.493 8.198 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.734 9.885 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.344 9.086 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.335 10.326 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.820 11.179 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.840 10.368 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.357 8.978 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.492 9.061 -7.398 1.00 0.00 H new ATOM 801 N GLU A 52 7.208 5.142 -10.116 1.00 0.00 N ATOM 802 CA GLU A 52 6.295 3.964 -10.106 1.00 0.00 C ATOM 803 C GLU A 52 6.341 3.088 -11.403 1.00 0.00 C ATOM 804 O GLU A 52 6.512 1.874 -11.289 1.00 0.00 O ATOM 805 CB GLU A 52 4.818 4.369 -9.902 1.00 0.00 C ATOM 806 CG GLU A 52 4.493 5.039 -8.550 1.00 0.00 C ATOM 807 CD GLU A 52 4.889 6.509 -8.517 1.00 0.00 C ATOM 808 OE1 GLU A 52 5.034 7.127 -9.607 1.00 0.00 O ATOM 809 OE2 GLU A 52 5.080 7.055 -7.397 1.00 0.00 O ATOM 0 H GLU A 52 6.727 6.015 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 52 6.669 3.376 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.532 5.051 -10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.198 3.479 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.425 4.949 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.012 4.508 -7.751 1.00 0.00 H new ATOM 816 N LEU A 53 6.243 3.671 -12.622 1.00 0.00 N ATOM 817 CA LEU A 53 6.413 2.903 -13.895 1.00 0.00 C ATOM 818 C LEU A 53 7.810 2.198 -14.098 1.00 0.00 C ATOM 819 O LEU A 53 7.855 1.079 -14.616 1.00 0.00 O ATOM 820 CB LEU A 53 6.149 3.828 -15.106 1.00 0.00 C ATOM 821 CG LEU A 53 5.859 3.107 -16.444 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.563 2.273 -16.406 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.816 4.123 -17.599 1.00 0.00 C ATOM 0 H LEU A 53 6.049 4.663 -12.758 1.00 0.00 H new ATOM 0 HA LEU A 53 5.684 2.096 -13.821 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.303 4.473 -14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.015 4.475 -15.242 1.00 0.00 H new ATOM 0 HG LEU A 53 6.676 2.405 -16.611 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.412 1.791 -17.372 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.642 1.512 -15.629 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.717 2.925 -16.190 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.611 3.602 -18.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.030 4.854 -17.411 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.777 4.633 -17.671 1.00 0.00 H new ATOM 835 N LYS A 54 8.935 2.805 -13.672 1.00 0.00 N ATOM 836 CA LYS A 54 10.273 2.136 -13.619 1.00 0.00 C ATOM 837 C LYS A 54 10.335 0.863 -12.706 1.00 0.00 C ATOM 838 O LYS A 54 10.706 -0.216 -13.187 1.00 0.00 O ATOM 839 CB LYS A 54 11.395 3.089 -13.140 1.00 0.00 C ATOM 840 CG LYS A 54 11.743 4.171 -14.173 1.00 0.00 C ATOM 841 CD LYS A 54 12.524 5.352 -13.574 1.00 0.00 C ATOM 842 CE LYS A 54 12.702 6.498 -14.579 1.00 0.00 C ATOM 843 NZ LYS A 54 13.333 7.688 -13.957 1.00 0.00 N ATOM 0 H LYS A 54 8.954 3.773 -13.352 1.00 0.00 H new ATOM 0 HA LYS A 54 10.430 1.833 -14.654 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.086 3.567 -12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.289 2.506 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.332 3.724 -14.974 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.823 4.543 -14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.000 5.722 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.503 5.007 -13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.315 6.157 -15.413 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.731 6.775 -14.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.435 8.439 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.736 8.030 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.271 7.431 -13.588 1.00 0.00 H new ATOM 857 N VAL A 55 9.948 0.962 -11.414 1.00 0.00 N ATOM 858 CA VAL A 55 9.780 -0.252 -10.539 1.00 0.00 C ATOM 859 C VAL A 55 8.673 -1.263 -11.016 1.00 0.00 C ATOM 860 O VAL A 55 8.833 -2.473 -10.817 1.00 0.00 O ATOM 861 CB VAL A 55 9.613 0.080 -9.061 1.00 0.00 C ATOM 862 CG1 VAL A 55 10.900 0.778 -8.571 1.00 0.00 C ATOM 863 CG2 VAL A 55 8.369 0.954 -8.815 1.00 0.00 C ATOM 0 H VAL A 55 9.746 1.847 -10.948 1.00 0.00 H new ATOM 0 HA VAL A 55 10.732 -0.770 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 55 9.458 -0.839 -8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.800 1.024 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.751 0.111 -8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.058 1.692 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.282 1.171 -7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.465 1.888 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.479 0.423 -9.151 1.00 0.00 H new ATOM 873 N ALA A 56 7.608 -0.784 -11.681 1.00 0.00 N ATOM 874 CA ALA A 56 6.610 -1.652 -12.371 1.00 0.00 C ATOM 875 C ALA A 56 7.201 -2.572 -13.486 1.00 0.00 C ATOM 876 O ALA A 56 6.960 -3.780 -13.464 1.00 0.00 O ATOM 877 CB ALA A 56 5.483 -0.841 -13.037 1.00 0.00 C ATOM 0 H ALA A 56 7.406 0.212 -11.761 1.00 0.00 H new ATOM 0 HA ALA A 56 6.234 -2.271 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.785 -1.521 -13.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.956 -0.261 -12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.910 -0.166 -13.779 1.00 0.00 H new ATOM 883 N MET A 57 8.016 -2.020 -14.405 1.00 0.00 N ATOM 884 CA MET A 57 8.797 -2.836 -15.384 1.00 0.00 C ATOM 885 C MET A 57 9.915 -3.734 -14.745 1.00 0.00 C ATOM 886 O MET A 57 10.206 -4.783 -15.324 1.00 0.00 O ATOM 887 CB MET A 57 9.381 -2.003 -16.540 1.00 0.00 C ATOM 888 CG MET A 57 8.375 -1.684 -17.672 1.00 0.00 C ATOM 889 SD MET A 57 6.966 -0.612 -17.242 1.00 0.00 S ATOM 890 CE MET A 57 6.271 -0.543 -18.920 1.00 0.00 C ATOM 0 H MET A 57 8.158 -1.014 -14.498 1.00 0.00 H new ATOM 0 HA MET A 57 8.048 -3.514 -15.794 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.765 -1.066 -16.138 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.229 -2.539 -16.965 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.922 -1.214 -18.490 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.981 -2.627 -18.052 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.373 0.075 -18.917 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.005 -0.112 -19.600 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.018 -1.550 -19.251 1.00 0.00 H new ATOM 900 N ARG A 58 10.539 -3.385 -13.594 1.00 0.00 N ATOM 901 CA ARG A 58 11.435 -4.339 -12.862 1.00 0.00 C ATOM 902 C ARG A 58 10.668 -5.629 -12.366 1.00 0.00 C ATOM 903 O ARG A 58 11.150 -6.732 -12.635 1.00 0.00 O ATOM 904 CB ARG A 58 12.104 -3.707 -11.620 1.00 0.00 C ATOM 905 CG ARG A 58 13.011 -2.515 -11.962 1.00 0.00 C ATOM 906 CD ARG A 58 13.602 -1.853 -10.713 1.00 0.00 C ATOM 907 NE ARG A 58 14.307 -0.592 -11.123 1.00 0.00 N ATOM 908 CZ ARG A 58 14.845 0.286 -10.222 1.00 0.00 C ATOM 909 NH1 ARG A 58 14.779 0.038 -8.880 1.00 0.00 N ATOM 910 NH2 ARG A 58 15.456 1.423 -10.669 1.00 0.00 N ATOM 0 H ARG A 58 10.447 -2.470 -13.152 1.00 0.00 H new ATOM 0 HA ARG A 58 12.194 -4.606 -13.597 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.330 -3.379 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.692 -4.467 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.821 -2.852 -12.609 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.440 -1.777 -12.525 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.813 -1.628 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.298 -2.531 -10.219 1.00 0.00 H new ATOM 0 HE ARG A 58 14.388 -0.381 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.325 -0.810 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.184 0.700 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.509 1.614 -11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.859 2.081 -10.002 1.00 0.00 H new ATOM 924 N ALA A 59 9.495 -5.517 -11.691 1.00 0.00 N ATOM 925 CA ALA A 59 8.625 -6.695 -11.395 1.00 0.00 C ATOM 926 C ALA A 59 7.949 -7.407 -12.623 1.00 0.00 C ATOM 927 O ALA A 59 8.000 -8.638 -12.707 1.00 0.00 O ATOM 928 CB ALA A 59 7.476 -6.291 -10.450 1.00 0.00 C ATOM 0 H ALA A 59 9.128 -4.632 -11.342 1.00 0.00 H new ATOM 0 HA ALA A 59 9.329 -7.405 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.851 -7.160 -10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.890 -5.912 -9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.873 -5.515 -10.921 1.00 0.00 H new ATOM 934 N LEU A 60 7.319 -6.670 -13.558 1.00 0.00 N ATOM 935 CA LEU A 60 6.586 -7.248 -14.725 1.00 0.00 C ATOM 936 C LEU A 60 7.463 -7.711 -15.924 1.00 0.00 C ATOM 937 O LEU A 60 7.107 -8.709 -16.544 1.00 0.00 O ATOM 938 CB LEU A 60 5.650 -6.116 -15.233 1.00 0.00 C ATOM 939 CG LEU A 60 4.646 -6.398 -16.377 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.473 -5.410 -16.250 1.00 0.00 C ATOM 941 CD2 LEU A 60 5.239 -6.289 -17.798 1.00 0.00 C ATOM 0 H LEU A 60 7.298 -5.650 -13.534 1.00 0.00 H new ATOM 0 HA LEU A 60 6.087 -8.152 -14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.075 -5.762 -14.377 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.285 -5.290 -15.555 1.00 0.00 H new ATOM 0 HG LEU A 60 4.332 -7.436 -16.262 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.754 -5.594 -17.049 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.985 -5.546 -15.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.847 -4.389 -16.326 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.463 -6.503 -18.533 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.621 -5.281 -17.956 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.052 -7.007 -17.909 1.00 0.00 H new ATOM 953 N GLY A 61 8.552 -6.998 -16.267 1.00 0.00 N ATOM 954 CA GLY A 61 9.349 -7.193 -17.511 1.00 0.00 C ATOM 955 C GLY A 61 9.638 -8.617 -18.039 1.00 0.00 C ATOM 956 O GLY A 61 9.502 -8.831 -19.244 1.00 0.00 O ATOM 0 H GLY A 61 8.918 -6.250 -15.678 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.840 -6.651 -18.308 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.311 -6.705 -17.357 1.00 0.00 H new ATOM 960 N PHE A 62 10.043 -9.554 -17.160 1.00 0.00 N ATOM 961 CA PHE A 62 10.224 -11.002 -17.486 1.00 0.00 C ATOM 962 C PHE A 62 11.544 -11.213 -18.281 1.00 0.00 C ATOM 963 O PHE A 62 11.719 -10.617 -19.349 1.00 0.00 O ATOM 964 CB PHE A 62 9.095 -11.726 -18.283 1.00 0.00 C ATOM 965 CG PHE A 62 7.728 -11.611 -17.656 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.497 -11.981 -16.318 1.00 0.00 C ATOM 967 CD2 PHE A 62 6.639 -11.174 -18.433 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.211 -11.897 -15.766 1.00 0.00 C ATOM 969 CE2 PHE A 62 5.353 -11.090 -17.885 1.00 0.00 C ATOM 970 CZ PHE A 62 5.139 -11.451 -16.551 1.00 0.00 C ATOM 0 H PHE A 62 10.259 -9.334 -16.188 1.00 0.00 H new ATOM 0 HA PHE A 62 10.219 -11.456 -16.495 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.056 -11.315 -19.292 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.352 -12.781 -18.379 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.318 -12.333 -15.711 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.797 -10.900 -19.466 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.046 -12.176 -14.736 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.528 -10.747 -18.492 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.148 -11.386 -16.126 1.00 0.00 H new ATOM 980 N GLU A 63 12.403 -12.149 -17.849 1.00 0.00 N ATOM 981 CA GLU A 63 13.717 -12.366 -18.571 1.00 0.00 C ATOM 982 C GLU A 63 13.615 -12.715 -20.124 1.00 0.00 C ATOM 983 O GLU A 63 14.562 -12.236 -20.760 1.00 0.00 O ATOM 984 CB GLU A 63 14.557 -13.477 -17.904 1.00 0.00 C ATOM 985 CG GLU A 63 14.812 -13.220 -16.407 1.00 0.00 C ATOM 986 CD GLU A 63 15.705 -14.327 -15.856 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.864 -14.440 -16.332 1.00 0.00 O ATOM 988 OE2 GLU A 63 15.236 -15.072 -14.955 1.00 0.00 O ATOM 0 H GLU A 63 12.246 -12.755 -17.044 1.00 0.00 H new ATOM 0 HA GLU A 63 14.193 -11.389 -18.491 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.045 -14.432 -18.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.513 -13.562 -18.421 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.287 -12.249 -16.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.867 -13.193 -15.864 1.00 0.00 H new ATOM 995 N PRO A 64 12.631 -13.360 -20.853 1.00 0.00 N ATOM 996 CA PRO A 64 12.615 -13.379 -22.360 1.00 0.00 C ATOM 997 C PRO A 64 12.497 -11.966 -23.079 1.00 0.00 C ATOM 998 O PRO A 64 11.482 -11.631 -23.699 1.00 0.00 O ATOM 999 CB PRO A 64 11.379 -14.240 -22.665 1.00 0.00 C ATOM 1000 CG PRO A 64 11.265 -15.184 -21.459 1.00 0.00 C ATOM 1001 CD PRO A 64 11.667 -14.292 -20.282 1.00 0.00 C ATOM 0 HA PRO A 64 13.565 -13.752 -22.742 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.485 -13.627 -22.776 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.501 -14.796 -23.595 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.253 -15.571 -21.344 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.926 -16.045 -21.557 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.806 -13.769 -19.866 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.107 -14.875 -19.473 1.00 0.00 H new ATOM 1009 N LYS A 65 13.550 -11.131 -23.030 1.00 0.00 N ATOM 1010 CA LYS A 65 13.484 -9.705 -23.468 1.00 0.00 C ATOM 1011 C LYS A 65 14.842 -9.117 -23.977 1.00 0.00 C ATOM 1012 O LYS A 65 15.926 -9.580 -23.609 1.00 0.00 O ATOM 1013 CB LYS A 65 12.965 -8.769 -22.348 1.00 0.00 C ATOM 1014 CG LYS A 65 13.851 -8.718 -21.086 1.00 0.00 C ATOM 1015 CD LYS A 65 13.235 -7.896 -19.941 1.00 0.00 C ATOM 1016 CE LYS A 65 13.211 -6.393 -20.220 1.00 0.00 C ATOM 1017 NZ LYS A 65 12.356 -5.675 -19.248 1.00 0.00 N ATOM 0 H LYS A 65 14.469 -11.413 -22.690 1.00 0.00 H new ATOM 0 HA LYS A 65 12.786 -9.735 -24.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.872 -7.760 -22.751 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.964 -9.091 -22.060 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.032 -9.735 -20.737 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.820 -8.293 -21.348 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.217 -8.242 -19.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.799 -8.080 -19.027 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.226 -5.997 -20.176 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.843 -6.215 -21.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.375 -4.656 -19.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.379 -6.025 -19.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.712 -5.839 -18.285 1.00 0.00 H new ATOM 1031 N LYS A 66 14.764 -8.037 -24.780 1.00 0.00 N ATOM 1032 CA LYS A 66 15.951 -7.225 -25.170 1.00 0.00 C ATOM 1033 C LYS A 66 15.856 -5.794 -24.546 1.00 0.00 C ATOM 1034 O LYS A 66 16.541 -5.538 -23.552 1.00 0.00 O ATOM 1035 CB LYS A 66 16.109 -7.125 -26.709 1.00 0.00 C ATOM 1036 CG LYS A 66 17.409 -6.453 -27.195 1.00 0.00 C ATOM 1037 CD LYS A 66 18.689 -7.203 -26.786 1.00 0.00 C ATOM 1038 CE LYS A 66 19.965 -6.575 -27.368 1.00 0.00 C ATOM 1039 NZ LYS A 66 21.172 -7.327 -26.946 1.00 0.00 N ATOM 0 H LYS A 66 13.888 -7.699 -25.177 1.00 0.00 H new ATOM 0 HA LYS A 66 16.834 -7.733 -24.782 1.00 0.00 H new ATOM 0 HB2 LYS A 66 16.060 -8.130 -27.129 1.00 0.00 H new ATOM 0 HB3 LYS A 66 15.261 -6.570 -27.110 1.00 0.00 H new ATOM 0 HG2 LYS A 66 17.380 -6.370 -28.281 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.452 -5.438 -26.799 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.762 -7.219 -25.699 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.617 -8.239 -27.116 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.903 -6.561 -28.456 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.046 -5.539 -27.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.019 -6.881 -27.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.241 -7.318 -25.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.103 -8.309 -27.280 1.00 0.00 H new ATOM 1053 N GLU A 67 15.040 -4.869 -25.099 1.00 0.00 N ATOM 1054 CA GLU A 67 14.913 -3.479 -24.570 1.00 0.00 C ATOM 1055 C GLU A 67 13.483 -2.908 -24.854 1.00 0.00 C ATOM 1056 O GLU A 67 13.062 -2.758 -26.009 1.00 0.00 O ATOM 1057 CB GLU A 67 16.015 -2.541 -25.128 1.00 0.00 C ATOM 1058 CG GLU A 67 16.183 -1.202 -24.381 1.00 0.00 C ATOM 1059 CD GLU A 67 15.209 -0.163 -24.917 1.00 0.00 C ATOM 1060 OE1 GLU A 67 15.385 0.255 -26.092 1.00 0.00 O ATOM 1061 OE2 GLU A 67 14.271 0.224 -24.173 1.00 0.00 O ATOM 0 H GLU A 67 14.455 -5.054 -25.914 1.00 0.00 H new ATOM 0 HA GLU A 67 15.055 -3.525 -23.490 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.966 -3.072 -25.105 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.793 -2.329 -26.174 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.014 -1.351 -23.315 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.206 -0.842 -24.494 1.00 0.00 H new ATOM 1068 N GLU A 68 12.770 -2.551 -23.777 1.00 0.00 N ATOM 1069 CA GLU A 68 11.464 -1.831 -23.815 1.00 0.00 C ATOM 1070 C GLU A 68 11.404 -0.615 -22.822 1.00 0.00 C ATOM 1071 O GLU A 68 10.923 0.454 -23.216 1.00 0.00 O ATOM 1072 CB GLU A 68 10.233 -2.753 -23.577 1.00 0.00 C ATOM 1073 CG GLU A 68 10.493 -4.113 -22.894 1.00 0.00 C ATOM 1074 CD GLU A 68 10.993 -3.957 -21.465 1.00 0.00 C ATOM 1075 OE1 GLU A 68 12.205 -3.651 -21.283 1.00 0.00 O ATOM 1076 OE2 GLU A 68 10.203 -4.184 -20.513 1.00 0.00 O ATOM 0 H GLU A 68 13.082 -2.754 -22.827 1.00 0.00 H new ATOM 0 HA GLU A 68 11.406 -1.452 -24.835 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.511 -2.204 -22.973 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.762 -2.944 -24.541 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.573 -4.698 -22.893 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.226 -4.674 -23.474 1.00 0.00 H new ATOM 1083 N ILE A 69 11.872 -0.730 -21.560 1.00 0.00 N ATOM 1084 CA ILE A 69 11.731 0.362 -20.535 1.00 0.00 C ATOM 1085 C ILE A 69 12.586 1.649 -20.824 1.00 0.00 C ATOM 1086 O ILE A 69 12.155 2.735 -20.421 1.00 0.00 O ATOM 1087 CB ILE A 69 12.028 -0.100 -19.085 1.00 0.00 C ATOM 1088 CG1 ILE A 69 13.416 0.238 -18.459 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.845 -1.624 -18.993 1.00 0.00 C ATOM 1090 CD1 ILE A 69 13.461 1.535 -17.638 1.00 0.00 C ATOM 0 H ILE A 69 12.352 -1.561 -21.214 1.00 0.00 H new ATOM 0 HA ILE A 69 10.676 0.623 -20.624 1.00 0.00 H new ATOM 0 HB ILE A 69 11.316 0.485 -18.503 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.720 -0.590 -17.819 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.152 0.308 -19.260 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.053 -1.955 -17.975 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.820 -1.884 -19.257 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.533 -2.115 -19.681 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.467 1.682 -17.245 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.193 2.378 -18.275 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.755 1.467 -16.811 1.00 0.00 H new ATOM 1102 N LYS A 70 13.747 1.583 -21.505 1.00 0.00 N ATOM 1103 CA LYS A 70 14.469 2.802 -21.987 1.00 0.00 C ATOM 1104 C LYS A 70 13.631 3.581 -23.062 1.00 0.00 C ATOM 1105 O LYS A 70 13.543 4.809 -22.966 1.00 0.00 O ATOM 1106 CB LYS A 70 15.898 2.571 -22.537 1.00 0.00 C ATOM 1107 CG LYS A 70 16.685 3.887 -22.685 1.00 0.00 C ATOM 1108 CD LYS A 70 18.048 3.739 -23.376 1.00 0.00 C ATOM 1109 CE LYS A 70 18.813 5.070 -23.498 1.00 0.00 C ATOM 1110 NZ LYS A 70 18.041 6.091 -24.252 1.00 0.00 N ATOM 0 H LYS A 70 14.213 0.706 -21.739 1.00 0.00 H new ATOM 0 HA LYS A 70 14.587 3.393 -21.079 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.438 1.900 -21.869 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.837 2.075 -23.506 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.080 4.596 -23.251 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.838 4.317 -21.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.656 3.028 -22.817 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.900 3.320 -24.371 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.040 5.450 -22.502 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.766 4.895 -23.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.648 6.914 -24.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.715 5.685 -25.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.219 6.390 -23.690 1.00 0.00 H new ATOM 1124 N LYS A 71 12.999 2.878 -24.031 1.00 0.00 N ATOM 1125 CA LYS A 71 11.996 3.472 -24.965 1.00 0.00 C ATOM 1126 C LYS A 71 10.779 4.111 -24.217 1.00 0.00 C ATOM 1127 O LYS A 71 10.434 5.249 -24.515 1.00 0.00 O ATOM 1128 CB LYS A 71 11.379 2.450 -25.953 1.00 0.00 C ATOM 1129 CG LYS A 71 12.407 1.736 -26.840 1.00 0.00 C ATOM 1130 CD LYS A 71 11.763 0.693 -27.767 1.00 0.00 C ATOM 1131 CE LYS A 71 12.759 -0.026 -28.689 1.00 0.00 C ATOM 1132 NZ LYS A 71 13.737 -0.835 -27.931 1.00 0.00 N ATOM 0 H LYS A 71 13.165 1.885 -24.192 1.00 0.00 H new ATOM 0 HA LYS A 71 12.578 4.221 -25.502 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.823 1.703 -25.386 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.661 2.966 -26.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.937 2.474 -27.442 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.149 1.247 -26.209 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.247 -0.049 -27.158 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.007 1.184 -28.379 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.213 -0.670 -29.378 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.289 0.710 -29.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.346 -1.355 -28.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.322 -0.209 -27.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.232 -1.510 -27.323 1.00 0.00 H new ATOM 1146 N MET A 72 10.148 3.403 -23.253 1.00 0.00 N ATOM 1147 CA MET A 72 8.981 3.928 -22.489 1.00 0.00 C ATOM 1148 C MET A 72 9.274 5.254 -21.700 1.00 0.00 C ATOM 1149 O MET A 72 8.589 6.255 -21.932 1.00 0.00 O ATOM 1150 CB MET A 72 8.444 2.858 -21.509 1.00 0.00 C ATOM 1151 CG MET A 72 6.993 3.099 -21.057 1.00 0.00 C ATOM 1152 SD MET A 72 5.766 3.078 -22.406 1.00 0.00 S ATOM 1153 CE MET A 72 5.819 1.306 -22.813 1.00 0.00 C ATOM 0 H MET A 72 10.426 2.460 -22.981 1.00 0.00 H new ATOM 0 HA MET A 72 8.230 4.169 -23.241 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.508 1.879 -21.984 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.088 2.829 -20.630 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.723 2.338 -20.325 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.939 4.062 -20.549 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.995 1.062 -23.484 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.765 1.073 -23.301 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.728 0.720 -21.899 1.00 0.00 H new ATOM 1163 N ILE A 73 10.317 5.299 -20.834 1.00 0.00 N ATOM 1164 CA ILE A 73 10.711 6.543 -20.091 1.00 0.00 C ATOM 1165 C ILE A 73 11.194 7.696 -21.043 1.00 0.00 C ATOM 1166 O ILE A 73 10.738 8.829 -20.900 1.00 0.00 O ATOM 1167 CB ILE A 73 11.748 6.261 -19.006 1.00 0.00 C ATOM 1168 CG1 ILE A 73 11.301 5.094 -18.080 1.00 0.00 C ATOM 1169 CG2 ILE A 73 12.039 7.546 -18.195 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.983 5.315 -17.325 1.00 0.00 C ATOM 0 H ILE A 73 10.906 4.493 -20.627 1.00 0.00 H new ATOM 0 HA ILE A 73 9.802 6.894 -19.601 1.00 0.00 H new ATOM 0 HB ILE A 73 12.672 5.947 -19.492 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.207 4.191 -18.683 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.090 4.909 -17.351 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.780 7.330 -17.425 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.423 8.318 -18.862 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.120 7.896 -17.726 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.765 4.442 -16.710 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.072 6.195 -16.688 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.175 5.465 -18.041 1.00 0.00 H new ATOM 1182 N SER A 74 12.049 7.404 -22.042 1.00 0.00 N ATOM 1183 CA SER A 74 12.472 8.388 -23.089 1.00 0.00 C ATOM 1184 C SER A 74 11.350 8.954 -24.034 1.00 0.00 C ATOM 1185 O SER A 74 11.505 10.056 -24.572 1.00 0.00 O ATOM 1186 CB SER A 74 13.560 7.822 -24.036 1.00 0.00 C ATOM 1187 OG SER A 74 14.645 7.258 -23.306 1.00 0.00 O ATOM 0 H SER A 74 12.473 6.483 -22.157 1.00 0.00 H new ATOM 0 HA SER A 74 12.833 9.201 -22.459 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.121 7.062 -24.683 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.930 8.617 -24.683 1.00 0.00 H new ATOM 0 HG SER A 74 14.422 6.340 -23.046 1.00 0.00 H new ATOM 1193 N GLU A 75 10.307 8.168 -24.360 1.00 0.00 N ATOM 1194 CA GLU A 75 9.164 8.599 -25.202 1.00 0.00 C ATOM 1195 C GLU A 75 8.109 9.428 -24.405 1.00 0.00 C ATOM 1196 O GLU A 75 7.520 10.368 -24.946 1.00 0.00 O ATOM 1197 CB GLU A 75 8.468 7.352 -25.797 1.00 0.00 C ATOM 1198 CG GLU A 75 7.382 7.619 -26.849 1.00 0.00 C ATOM 1199 CD GLU A 75 6.964 6.272 -27.425 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.443 5.424 -26.653 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.197 6.037 -28.641 1.00 0.00 O ATOM 0 H GLU A 75 10.229 7.201 -24.044 1.00 0.00 H new ATOM 0 HA GLU A 75 9.566 9.239 -25.987 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.231 6.716 -26.246 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.021 6.786 -24.979 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.528 8.126 -26.399 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.762 8.271 -27.635 1.00 0.00 H new ATOM 1208 N ILE A 76 7.851 9.022 -23.151 1.00 0.00 N ATOM 1209 CA ILE A 76 6.913 9.673 -22.221 1.00 0.00 C ATOM 1210 C ILE A 76 7.414 10.956 -21.442 1.00 0.00 C ATOM 1211 O ILE A 76 6.578 11.678 -20.890 1.00 0.00 O ATOM 1212 CB ILE A 76 6.179 8.752 -21.252 1.00 0.00 C ATOM 1213 CG1 ILE A 76 7.049 8.309 -20.049 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.559 7.596 -22.075 1.00 0.00 C ATOM 1215 CD1 ILE A 76 6.390 7.242 -19.171 1.00 0.00 C ATOM 0 H ILE A 76 8.305 8.205 -22.743 1.00 0.00 H new ATOM 0 HA ILE A 76 6.202 10.027 -22.968 1.00 0.00 H new ATOM 0 HB ILE A 76 5.370 9.292 -20.760 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.999 7.925 -20.421 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.276 9.181 -19.436 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.026 6.919 -21.407 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.864 8.004 -22.809 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.350 7.050 -22.589 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.058 6.983 -18.350 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.454 7.629 -18.768 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.188 6.353 -19.769 1.00 0.00 H new ATOM 1227 N ASP A 77 8.723 11.196 -21.317 1.00 0.00 N ATOM 1228 CA ASP A 77 9.308 12.288 -20.477 1.00 0.00 C ATOM 1229 C ASP A 77 9.865 13.427 -21.399 1.00 0.00 C ATOM 1230 O ASP A 77 10.980 13.337 -21.926 1.00 0.00 O ATOM 1231 CB ASP A 77 10.438 11.702 -19.588 1.00 0.00 C ATOM 1232 CG ASP A 77 10.687 12.552 -18.351 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.294 13.646 -18.478 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.236 12.123 -17.254 1.00 0.00 O ATOM 0 H ASP A 77 9.430 10.639 -21.796 1.00 0.00 H new ATOM 0 HA ASP A 77 8.537 12.712 -19.834 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.173 10.689 -19.285 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.357 11.630 -20.170 1.00 0.00 H new ATOM 1239 N LYS A 78 9.052 14.475 -21.652 1.00 0.00 N ATOM 1240 CA LYS A 78 9.367 15.518 -22.680 1.00 0.00 C ATOM 1241 C LYS A 78 8.970 16.975 -22.294 1.00 0.00 C ATOM 1242 O LYS A 78 9.801 17.876 -22.425 1.00 0.00 O ATOM 1243 CB LYS A 78 8.646 15.222 -24.018 1.00 0.00 C ATOM 1244 CG LYS A 78 9.247 14.031 -24.781 1.00 0.00 C ATOM 1245 CD LYS A 78 8.371 13.554 -25.946 1.00 0.00 C ATOM 1246 CE LYS A 78 9.054 12.459 -26.775 1.00 0.00 C ATOM 1247 NZ LYS A 78 8.059 11.668 -27.534 1.00 0.00 N ATOM 0 H LYS A 78 8.170 14.631 -21.164 1.00 0.00 H new ATOM 0 HA LYS A 78 10.453 15.463 -22.761 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.593 15.023 -23.819 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.689 16.109 -24.650 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.228 14.311 -25.164 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.400 13.204 -24.088 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.426 13.176 -25.556 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.134 14.401 -26.590 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.766 12.912 -27.465 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.621 11.801 -26.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.541 11.127 -28.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.572 11.012 -26.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.363 12.309 -27.966 1.00 0.00 H new ATOM 1261 N GLU A 79 7.713 17.226 -21.889 1.00 0.00 N ATOM 1262 CA GLU A 79 7.173 18.608 -21.708 1.00 0.00 C ATOM 1263 C GLU A 79 7.353 19.097 -20.237 1.00 0.00 C ATOM 1264 O GLU A 79 7.975 20.133 -19.988 1.00 0.00 O ATOM 1265 CB GLU A 79 5.665 18.684 -22.058 1.00 0.00 C ATOM 1266 CG GLU A 79 5.296 18.056 -23.419 1.00 0.00 C ATOM 1267 CD GLU A 79 6.083 18.715 -24.549 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.948 19.956 -24.715 1.00 0.00 O ATOM 1269 OE2 GLU A 79 6.826 17.984 -25.257 1.00 0.00 O ATOM 0 H GLU A 79 7.038 16.491 -21.676 1.00 0.00 H new ATOM 0 HA GLU A 79 7.738 19.248 -22.386 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.096 18.184 -21.274 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.356 19.729 -22.058 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.504 16.986 -23.400 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.227 18.169 -23.599 1.00 0.00 H new ATOM 1276 N GLY A 80 6.817 18.333 -19.270 1.00 0.00 N ATOM 1277 CA GLY A 80 7.083 18.535 -17.826 1.00 0.00 C ATOM 1278 C GLY A 80 7.370 17.248 -17.010 1.00 0.00 C ATOM 1279 O GLY A 80 6.939 17.153 -15.860 1.00 0.00 O ATOM 0 H GLY A 80 6.185 17.556 -19.463 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.935 19.207 -17.723 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.224 19.040 -17.384 1.00 0.00 H new ATOM 1283 N THR A 81 8.086 16.276 -17.605 1.00 0.00 N ATOM 1284 CA THR A 81 8.366 14.916 -17.048 1.00 0.00 C ATOM 1285 C THR A 81 7.107 13.992 -17.150 1.00 0.00 C ATOM 1286 O THR A 81 5.950 14.433 -17.155 1.00 0.00 O ATOM 1287 CB THR A 81 9.079 14.823 -15.694 1.00 0.00 C ATOM 1288 OG1 THR A 81 8.257 15.218 -14.602 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.362 15.681 -15.720 1.00 0.00 C ATOM 0 H THR A 81 8.507 16.410 -18.524 1.00 0.00 H new ATOM 0 HA THR A 81 9.145 14.534 -17.708 1.00 0.00 H new ATOM 0 HB THR A 81 9.328 13.773 -15.538 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.893 16.111 -14.773 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.865 15.612 -14.756 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.027 15.317 -16.503 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.101 16.720 -15.919 1.00 0.00 H new ATOM 1297 N GLY A 82 7.366 12.685 -17.276 1.00 0.00 N ATOM 1298 CA GLY A 82 6.340 11.674 -17.606 1.00 0.00 C ATOM 1299 C GLY A 82 5.334 11.282 -16.507 1.00 0.00 C ATOM 1300 O GLY A 82 5.651 10.768 -15.432 1.00 0.00 O ATOM 0 H GLY A 82 8.299 12.291 -17.152 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.774 12.040 -18.463 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.854 10.768 -17.927 1.00 0.00 H new ATOM 1304 N LYS A 83 4.086 11.498 -16.898 1.00 0.00 N ATOM 1305 CA LYS A 83 2.879 11.023 -16.165 1.00 0.00 C ATOM 1306 C LYS A 83 2.004 10.200 -17.156 1.00 0.00 C ATOM 1307 O LYS A 83 1.667 10.649 -18.255 1.00 0.00 O ATOM 1308 CB LYS A 83 1.999 12.071 -15.431 1.00 0.00 C ATOM 1309 CG LYS A 83 1.540 13.315 -16.217 1.00 0.00 C ATOM 1310 CD LYS A 83 2.606 14.405 -16.437 1.00 0.00 C ATOM 1311 CE LYS A 83 3.250 14.924 -15.139 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.287 15.935 -15.433 1.00 0.00 N ATOM 0 H LYS A 83 3.860 12.016 -17.747 1.00 0.00 H new ATOM 0 HA LYS A 83 3.280 10.437 -15.338 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.108 11.560 -15.066 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.551 12.415 -14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.174 12.990 -17.191 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.695 13.761 -15.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.388 14.008 -17.085 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.150 15.243 -16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.484 15.359 -14.497 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.692 14.093 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.765 16.208 -14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.983 15.536 -16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.844 16.773 -15.860 1.00 0.00 H new ATOM 1326 N MET A 84 1.693 8.963 -16.749 1.00 0.00 N ATOM 1327 CA MET A 84 0.949 7.988 -17.583 1.00 0.00 C ATOM 1328 C MET A 84 -0.479 7.767 -17.025 1.00 0.00 C ATOM 1329 O MET A 84 -0.621 7.328 -15.882 1.00 0.00 O ATOM 1330 CB MET A 84 1.716 6.650 -17.650 1.00 0.00 C ATOM 1331 CG MET A 84 1.110 5.593 -18.580 1.00 0.00 C ATOM 1332 SD MET A 84 2.211 4.175 -18.833 1.00 0.00 S ATOM 1333 CE MET A 84 3.240 4.951 -20.110 1.00 0.00 C ATOM 0 H MET A 84 1.948 8.601 -15.830 1.00 0.00 H new ATOM 0 HA MET A 84 0.861 8.392 -18.592 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.737 6.852 -17.973 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.776 6.234 -16.644 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.165 5.245 -18.162 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.883 6.049 -19.544 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.326 4.281 -20.965 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.781 5.887 -20.428 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.232 5.152 -19.705 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.517 7.936 -17.857 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.900 7.528 -17.480 1.00 0.00 C ATOM 1345 C ASN A 85 -3.201 6.133 -18.133 1.00 0.00 C ATOM 1346 O ASN A 85 -2.419 5.597 -18.929 1.00 0.00 O ATOM 1347 CB ASN A 85 -4.025 8.579 -17.775 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.784 8.443 -19.113 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.887 7.881 -19.136 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -4.198 8.957 -20.228 1.00 0.00 N ATOM 0 H ASN A 85 -1.439 8.347 -18.787 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.923 7.458 -16.393 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.754 8.529 -16.966 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.577 9.572 -17.740 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.669 8.887 -21.130 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.287 9.412 -20.162 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.327 5.492 -17.768 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.622 4.120 -18.302 1.00 0.00 C ATOM 1359 C PHE A 86 -4.907 4.094 -19.843 1.00 0.00 C ATOM 1360 O PHE A 86 -4.503 3.126 -20.493 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.871 3.544 -17.572 1.00 0.00 C ATOM 1362 CG PHE A 86 -6.106 2.074 -17.839 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -5.522 1.103 -17.010 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.929 1.651 -18.900 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.746 -0.260 -17.232 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.147 0.287 -19.134 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.557 -0.669 -18.299 1.00 0.00 C ATOM 0 H PHE A 86 -5.030 5.870 -17.133 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.729 3.522 -18.122 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.756 3.696 -16.499 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.753 4.106 -17.880 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.891 1.412 -16.190 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.397 2.385 -19.540 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.295 -0.995 -16.582 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.770 -0.027 -19.958 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.727 -1.721 -18.477 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.546 5.125 -20.436 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.633 5.255 -21.919 1.00 0.00 C ATOM 1379 C GLY A 87 -4.238 5.347 -22.625 1.00 0.00 C ATOM 1380 O GLY A 87 -4.019 4.654 -23.622 1.00 0.00 O ATOM 0 H GLY A 87 -6.007 5.876 -19.923 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.177 4.399 -22.319 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.214 6.144 -22.164 1.00 0.00 H new ATOM 1384 N ASP A 88 -3.284 6.134 -22.062 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.854 6.139 -22.493 1.00 0.00 C ATOM 1386 C ASP A 88 -1.192 4.722 -22.356 1.00 0.00 C ATOM 1387 O ASP A 88 -0.672 4.205 -23.347 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.915 7.059 -21.661 1.00 0.00 C ATOM 1389 CG ASP A 88 -1.370 8.512 -21.636 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.653 9.077 -22.723 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.444 9.073 -20.507 1.00 0.00 O ATOM 0 H ASP A 88 -3.480 6.782 -21.299 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.930 6.494 -23.521 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.861 6.684 -20.639 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.093 7.007 -22.073 1.00 0.00 H new ATOM 1396 N PHE A 89 -1.262 4.087 -21.157 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.718 2.721 -20.913 1.00 0.00 C ATOM 1398 C PHE A 89 -1.264 1.608 -21.859 1.00 0.00 C ATOM 1399 O PHE A 89 -0.474 0.865 -22.439 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.961 2.277 -19.443 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.075 1.143 -18.955 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.257 0.957 -19.383 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.577 0.292 -17.957 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.066 -0.025 -18.799 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.228 -0.692 -17.375 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.553 -0.850 -17.793 1.00 0.00 C ATOM 0 H PHE A 89 -1.695 4.504 -20.333 1.00 0.00 H new ATOM 0 HA PHE A 89 0.346 2.822 -21.127 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.814 3.138 -18.791 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.003 1.973 -19.339 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.657 1.579 -20.170 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.602 0.399 -17.634 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.088 -0.146 -19.126 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.174 -1.330 -16.602 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.178 -1.606 -17.341 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.594 1.514 -22.016 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.240 0.540 -22.933 1.00 0.00 C ATOM 1418 C LEU A 90 -2.858 0.724 -24.442 1.00 0.00 C ATOM 1419 O LEU A 90 -2.409 -0.242 -25.066 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.780 0.632 -22.804 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.546 -0.637 -23.243 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -5.305 -1.800 -22.262 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -7.051 -0.349 -23.393 1.00 0.00 C ATOM 0 H LEU A 90 -3.257 2.106 -21.516 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.869 -0.438 -22.625 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.031 0.849 -21.766 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.130 1.475 -23.400 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.161 -0.936 -24.218 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.856 -2.679 -22.597 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.240 -2.031 -22.227 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.647 -1.514 -21.267 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.566 -1.258 -23.703 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.454 -0.011 -22.438 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.200 0.426 -24.145 1.00 0.00 H new ATOM 1435 N THR A 91 -2.950 1.949 -25.005 1.00 0.00 N ATOM 1436 CA THR A 91 -2.483 2.243 -26.396 1.00 0.00 C ATOM 1437 C THR A 91 -0.944 2.014 -26.603 1.00 0.00 C ATOM 1438 O THR A 91 -0.565 1.245 -27.493 1.00 0.00 O ATOM 1439 CB THR A 91 -2.890 3.617 -26.914 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.399 4.674 -26.097 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.431 3.686 -26.958 1.00 0.00 C ATOM 0 H THR A 91 -3.343 2.758 -24.524 1.00 0.00 H new ATOM 0 HA THR A 91 -3.012 1.505 -26.999 1.00 0.00 H new ATOM 0 HB THR A 91 -2.457 3.745 -27.906 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.910 4.706 -25.262 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.741 4.664 -27.327 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.811 2.910 -27.623 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.831 3.533 -25.956 1.00 0.00 H new ATOM 1449 N VAL A 92 -0.068 2.635 -25.785 1.00 0.00 N ATOM 1450 CA VAL A 92 1.415 2.500 -25.938 1.00 0.00 C ATOM 1451 C VAL A 92 1.969 1.067 -25.633 1.00 0.00 C ATOM 1452 O VAL A 92 2.754 0.561 -26.438 1.00 0.00 O ATOM 1453 CB VAL A 92 2.197 3.586 -25.189 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.332 3.314 -23.674 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.578 3.777 -25.850 1.00 0.00 C ATOM 0 H VAL A 92 -0.351 3.236 -25.011 1.00 0.00 H new ATOM 0 HA VAL A 92 1.587 2.658 -27.003 1.00 0.00 H new ATOM 0 HB VAL A 92 1.623 4.509 -25.266 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.896 4.122 -23.208 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.341 3.258 -23.225 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.855 2.370 -23.519 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.133 4.549 -25.317 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.133 2.839 -25.811 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.445 4.078 -26.889 1.00 0.00 H new ATOM 1465 N MET A 93 1.580 0.401 -24.524 1.00 0.00 N ATOM 1466 CA MET A 93 2.013 -0.999 -24.229 1.00 0.00 C ATOM 1467 C MET A 93 1.476 -2.077 -25.231 1.00 0.00 C ATOM 1468 O MET A 93 2.286 -2.922 -25.624 1.00 0.00 O ATOM 1469 CB MET A 93 1.657 -1.429 -22.789 1.00 0.00 C ATOM 1470 CG MET A 93 2.420 -2.670 -22.286 1.00 0.00 C ATOM 1471 SD MET A 93 2.148 -2.984 -20.517 1.00 0.00 S ATOM 1472 CE MET A 93 3.348 -4.320 -20.314 1.00 0.00 C ATOM 0 H MET A 93 0.968 0.802 -23.814 1.00 0.00 H new ATOM 0 HA MET A 93 3.096 -0.961 -24.349 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.858 -0.597 -22.115 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.587 -1.630 -22.737 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.106 -3.542 -22.859 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.486 -2.536 -22.468 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.456 -4.554 -19.255 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.001 -5.205 -20.848 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.312 -4.008 -20.717 1.00 0.00 H new ATOM 1482 N THR A 94 0.197 -2.056 -25.695 1.00 0.00 N ATOM 1483 CA THR A 94 -0.249 -2.949 -26.819 1.00 0.00 C ATOM 1484 C THR A 94 0.577 -2.698 -28.135 1.00 0.00 C ATOM 1485 O THR A 94 1.215 -3.641 -28.609 1.00 0.00 O ATOM 1486 CB THR A 94 -1.742 -3.039 -27.098 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.304 -1.831 -27.594 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.476 -3.471 -25.811 1.00 0.00 C ATOM 0 H THR A 94 -0.534 -1.449 -25.324 1.00 0.00 H new ATOM 0 HA THR A 94 -0.021 -3.941 -26.431 1.00 0.00 H new ATOM 0 HB THR A 94 -1.872 -3.781 -27.886 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.390 -1.185 -26.862 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.546 -3.537 -26.007 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.106 -4.445 -25.490 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.295 -2.737 -25.025 1.00 0.00 H new ATOM 1496 N GLN A 95 0.653 -1.450 -28.670 1.00 0.00 N ATOM 1497 CA GLN A 95 1.533 -1.111 -29.829 1.00 0.00 C ATOM 1498 C GLN A 95 3.067 -1.421 -29.675 1.00 0.00 C ATOM 1499 O GLN A 95 3.699 -1.813 -30.658 1.00 0.00 O ATOM 1500 CB GLN A 95 1.400 0.400 -30.146 1.00 0.00 C ATOM 1501 CG GLN A 95 1.994 0.833 -31.499 1.00 0.00 C ATOM 1502 CD GLN A 95 1.793 2.339 -31.694 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.399 3.059 -30.771 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.085 2.822 -32.939 1.00 0.00 N ATOM 0 H GLN A 95 0.115 -0.658 -28.318 1.00 0.00 H new ATOM 0 HA GLN A 95 1.176 -1.766 -30.624 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.344 0.669 -30.127 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.888 0.967 -29.353 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.056 0.591 -31.535 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.514 0.285 -32.310 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.408 2.187 -33.670 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.980 3.817 -33.137 1.00 0.00 H new ATOM 1513 N LYS A 96 3.673 -1.245 -28.482 1.00 0.00 N ATOM 1514 CA LYS A 96 5.080 -1.663 -28.220 1.00 0.00 C ATOM 1515 C LYS A 96 5.311 -3.213 -28.142 1.00 0.00 C ATOM 1516 O LYS A 96 6.236 -3.699 -28.795 1.00 0.00 O ATOM 1517 CB LYS A 96 5.617 -1.044 -26.898 1.00 0.00 C ATOM 1518 CG LYS A 96 7.099 -0.619 -26.939 1.00 0.00 C ATOM 1519 CD LYS A 96 7.369 0.654 -27.769 1.00 0.00 C ATOM 1520 CE LYS A 96 6.799 1.939 -27.140 1.00 0.00 C ATOM 1521 NZ LYS A 96 6.998 3.119 -28.010 1.00 0.00 N ATOM 0 H LYS A 96 3.214 -0.816 -27.678 1.00 0.00 H new ATOM 0 HA LYS A 96 5.622 -1.291 -29.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.011 -0.173 -26.648 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.483 -1.767 -26.094 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.447 -0.455 -25.919 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.689 -1.439 -27.349 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.445 0.770 -27.899 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.940 0.526 -28.763 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.734 1.807 -26.947 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.278 2.114 -26.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.443 3.918 -27.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.006 3.374 -28.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.685 2.895 -28.976 1.00 0.00 H new ATOM 1535 N MET A 97 4.546 -3.966 -27.325 1.00 0.00 N ATOM 1536 CA MET A 97 4.734 -5.443 -27.178 1.00 0.00 C ATOM 1537 C MET A 97 4.101 -6.331 -28.306 1.00 0.00 C ATOM 1538 O MET A 97 4.845 -7.094 -28.930 1.00 0.00 O ATOM 1539 CB MET A 97 4.269 -5.963 -25.804 1.00 0.00 C ATOM 1540 CG MET A 97 5.117 -5.393 -24.655 1.00 0.00 C ATOM 1541 SD MET A 97 4.811 -6.204 -23.059 1.00 0.00 S ATOM 1542 CE MET A 97 6.252 -5.510 -22.198 1.00 0.00 C ATOM 0 H MET A 97 3.791 -3.586 -26.754 1.00 0.00 H new ATOM 0 HA MET A 97 5.814 -5.552 -27.275 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.224 -5.696 -25.650 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.325 -7.051 -25.790 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.172 -5.493 -24.908 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.913 -4.327 -24.557 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.274 -5.877 -21.172 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.164 -5.814 -22.712 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.184 -4.422 -22.193 1.00 0.00 H new ATOM 1552 N SER A 98 2.773 -6.300 -28.532 1.00 0.00 N ATOM 1553 CA SER A 98 2.111 -7.044 -29.640 1.00 0.00 C ATOM 1554 C SER A 98 2.203 -6.332 -31.017 1.00 0.00 C ATOM 1555 O SER A 98 1.547 -5.267 -31.167 1.00 0.00 O ATOM 1556 CB SER A 98 0.625 -7.363 -29.344 1.00 0.00 C ATOM 1557 OG SER A 98 -0.086 -6.189 -28.976 1.00 0.00 O ATOM 1558 OXT SER A 98 2.892 -6.870 -31.922 1.00 0.00 O ATOM 0 H SER A 98 2.124 -5.762 -27.958 1.00 0.00 H new ATOM 0 HA SER A 98 2.675 -7.975 -29.700 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.163 -7.811 -30.224 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.560 -8.098 -28.542 1.00 0.00 H new ATOM 0 HG SER A 98 0.508 -5.412 -29.042 1.00 0.00 H new