USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 737 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 69 SER OG : rot 110:sc= 0.0611 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0315 USER MOD Set 2.1: A 61 THR OG1 : rot 35:sc= -1.84! USER MOD Set 2.2: A 62 HIS : no HD1:sc= -6.3! C(o=-8.1!,f=-7.6!) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc=-0.000707 (180deg=-0.0747) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -154:sc= -0.0296 (180deg=-2.07) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -161:sc= -1.8 (180deg=-2.34) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000208) USER MOD Single : A 54 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.0033) USER MOD Single : A 57 SER OG : rot 180:sc= -0.238 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.57) USER MOD Single : A 68 ASN : amide:sc= -15.2! C(o=-15!,f=-23!) USER MOD Single : A 78 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.5!) USER MOD Single : A 80 GLN : amide:sc= -5.96! C(o=-6!,f=-6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.6!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 146:sc= -4.23! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -170:sc= 0.00534 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-6!) USER MOD Single : A 113 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.304 4.703 -12.316 1.00 0.00 N ATOM 299 CA LEU A 24 -0.069 4.803 -10.885 1.00 0.00 C ATOM 300 C LEU A 24 -1.375 4.530 -10.137 1.00 0.00 C ATOM 301 O LEU A 24 -1.833 5.363 -9.356 1.00 0.00 O ATOM 302 CB LEU A 24 0.569 6.150 -10.540 1.00 0.00 C ATOM 303 CG LEU A 24 1.708 6.111 -9.519 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.193 5.703 -8.138 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.842 5.203 -9.998 1.00 0.00 C ATOM 0 HA LEU A 24 0.646 4.046 -10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.947 6.597 -11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.210 6.812 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 24 2.117 7.117 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.023 5.683 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.447 6.422 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.742 4.712 -8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.639 5.193 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.463 4.191 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.233 5.578 -10.944 1.00 0.00 H new ATOM 317 N VAL A 25 -1.939 3.361 -10.403 1.00 0.00 N ATOM 318 CA VAL A 25 -3.184 2.969 -9.765 1.00 0.00 C ATOM 319 C VAL A 25 -2.904 2.564 -8.316 1.00 0.00 C ATOM 320 O VAL A 25 -2.227 1.568 -8.065 1.00 0.00 O ATOM 321 CB VAL A 25 -3.861 1.861 -10.574 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.327 1.702 -10.167 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.734 2.124 -12.076 1.00 0.00 C ATOM 0 H VAL A 25 -1.557 2.673 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.880 3.807 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.349 0.924 -10.353 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.784 0.908 -10.757 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.385 1.447 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.857 2.638 -10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.223 1.322 -12.628 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.208 3.075 -12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.680 2.163 -12.351 1.00 0.00 H new ATOM 333 N VAL A 26 -3.439 3.358 -7.400 1.00 0.00 N ATOM 334 CA VAL A 26 -3.256 3.095 -5.982 1.00 0.00 C ATOM 335 C VAL A 26 -4.562 2.557 -5.394 1.00 0.00 C ATOM 336 O VAL A 26 -5.626 3.137 -5.604 1.00 0.00 O ATOM 337 CB VAL A 26 -2.757 4.358 -5.276 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.740 4.166 -3.758 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.377 4.766 -5.794 1.00 0.00 C ATOM 0 H VAL A 26 -3.999 4.184 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.493 2.331 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.452 5.167 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.382 5.078 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.748 3.945 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.078 3.338 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.045 5.666 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.667 3.960 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.434 4.963 -6.864 1.00 0.00 H new ATOM 349 N PHE A 27 -4.437 1.455 -4.669 1.00 0.00 N ATOM 350 CA PHE A 27 -5.595 0.833 -4.049 1.00 0.00 C ATOM 351 C PHE A 27 -5.383 0.659 -2.544 1.00 0.00 C ATOM 352 O PHE A 27 -4.547 -0.137 -2.119 1.00 0.00 O ATOM 353 CB PHE A 27 -5.759 -0.546 -4.692 1.00 0.00 C ATOM 354 CG PHE A 27 -6.857 -1.401 -4.057 1.00 0.00 C ATOM 355 CD1 PHE A 27 -8.147 -1.264 -4.466 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.543 -2.299 -3.085 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.166 -2.058 -3.877 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.563 -3.093 -2.496 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.853 -2.956 -2.904 1.00 0.00 C ATOM 0 H PHE A 27 -3.552 0.977 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.476 1.458 -4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.980 -0.418 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.812 -1.081 -4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.396 -0.552 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.519 -2.408 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.190 -1.949 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.314 -3.806 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.628 -3.560 -2.456 1.00 0.00 H new ATOM 369 N ILE A 28 -6.155 1.416 -1.779 1.00 0.00 N ATOM 370 CA ILE A 28 -6.063 1.356 -0.330 1.00 0.00 C ATOM 371 C ILE A 28 -6.842 0.140 0.176 1.00 0.00 C ATOM 372 O ILE A 28 -7.874 -0.220 -0.389 1.00 0.00 O ATOM 373 CB ILE A 28 -6.516 2.678 0.291 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.675 3.846 -0.231 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.501 2.600 1.819 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.110 5.165 0.411 1.00 0.00 C ATOM 0 H ILE A 28 -6.848 2.075 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.027 1.223 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.547 2.862 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.622 3.664 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.774 3.915 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.827 3.553 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.175 1.810 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.490 2.381 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.497 5.978 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.157 5.356 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.987 5.102 1.492 1.00 0.00 H new ATOM 388 N LEU A 29 -6.319 -0.459 1.236 1.00 0.00 N ATOM 389 CA LEU A 29 -6.953 -1.627 1.824 1.00 0.00 C ATOM 390 C LEU A 29 -7.729 -1.205 3.073 1.00 0.00 C ATOM 391 O LEU A 29 -7.142 -1.007 4.136 1.00 0.00 O ATOM 392 CB LEU A 29 -5.918 -2.724 2.084 1.00 0.00 C ATOM 393 CG LEU A 29 -6.469 -4.058 2.592 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.141 -4.839 1.462 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.375 -4.875 3.282 1.00 0.00 C ATOM 0 H LEU A 29 -5.464 -0.157 1.703 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.674 -2.059 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.372 -2.908 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.197 -2.351 2.811 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.235 -3.850 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.524 -5.783 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.965 -4.253 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.414 -5.038 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.793 -5.818 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.570 -5.076 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.982 -4.314 4.130 1.00 0.00 H new ATOM 407 N GLU A 30 -9.037 -1.080 2.904 1.00 0.00 N ATOM 408 CA GLU A 30 -9.900 -0.686 4.004 1.00 0.00 C ATOM 409 C GLU A 30 -9.504 -1.428 5.282 1.00 0.00 C ATOM 410 O GLU A 30 -9.336 -0.814 6.334 1.00 0.00 O ATOM 411 CB GLU A 30 -11.371 -0.930 3.662 1.00 0.00 C ATOM 412 CG GLU A 30 -12.248 -0.834 4.912 1.00 0.00 C ATOM 413 CD GLU A 30 -12.315 -2.179 5.639 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.582 -3.185 4.948 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.098 -2.170 6.870 1.00 0.00 O ATOM 0 H GLU A 30 -9.520 -1.245 2.021 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.773 0.383 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.702 -0.200 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.484 -1.915 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.849 -0.073 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.253 -0.517 4.632 1.00 0.00 H new ATOM 422 N LYS A 31 -9.367 -2.739 5.148 1.00 0.00 N ATOM 423 CA LYS A 31 -8.994 -3.572 6.279 1.00 0.00 C ATOM 424 C LYS A 31 -7.949 -2.840 7.123 1.00 0.00 C ATOM 425 O LYS A 31 -6.881 -2.485 6.626 1.00 0.00 O ATOM 426 CB LYS A 31 -8.540 -4.953 5.801 1.00 0.00 C ATOM 427 CG LYS A 31 -9.712 -5.743 5.216 1.00 0.00 C ATOM 428 CD LYS A 31 -9.504 -6.009 3.723 1.00 0.00 C ATOM 429 CE LYS A 31 -10.541 -7.001 3.193 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.257 -6.430 2.030 1.00 0.00 N ATOM 0 H LYS A 31 -9.508 -3.245 4.274 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.856 -3.750 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.759 -4.843 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.104 -5.505 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.818 -6.689 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.639 -5.189 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.575 -5.073 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.501 -6.402 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.050 -7.930 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.253 -7.248 3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.871 -7.156 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.836 -5.624 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.567 -6.108 1.322 1.00 0.00 H new ATOM 444 N LYS A 32 -8.294 -2.635 8.386 1.00 0.00 N ATOM 445 CA LYS A 32 -7.399 -1.951 9.304 1.00 0.00 C ATOM 446 C LYS A 32 -7.377 -0.458 8.971 1.00 0.00 C ATOM 447 O LYS A 32 -6.308 0.135 8.831 1.00 0.00 O ATOM 448 CB LYS A 32 -6.016 -2.604 9.291 1.00 0.00 C ATOM 449 CG LYS A 32 -6.128 -4.128 9.365 1.00 0.00 C ATOM 450 CD LYS A 32 -5.579 -4.655 10.692 1.00 0.00 C ATOM 451 CE LYS A 32 -6.423 -5.821 11.212 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.640 -6.647 12.157 1.00 0.00 N ATOM 0 H LYS A 32 -9.181 -2.930 8.795 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.760 -2.044 10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.484 -2.319 8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.429 -2.238 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.171 -4.425 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.580 -4.577 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.547 -4.980 10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.568 -3.852 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.316 -5.439 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.760 -6.435 10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.228 -7.433 12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.801 -7.027 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.340 -6.062 12.963 1.00 0.00 H new ATOM 466 N MET A 33 -8.569 0.107 8.854 1.00 0.00 N ATOM 467 CA MET A 33 -8.700 1.520 8.540 1.00 0.00 C ATOM 468 C MET A 33 -10.172 1.935 8.481 1.00 0.00 C ATOM 469 O MET A 33 -10.646 2.678 9.339 1.00 0.00 O ATOM 470 CB MET A 33 -8.035 1.807 7.192 1.00 0.00 C ATOM 471 CG MET A 33 -7.772 3.305 7.019 1.00 0.00 C ATOM 472 SD MET A 33 -7.399 3.665 5.311 1.00 0.00 S ATOM 473 CE MET A 33 -5.869 2.764 5.131 1.00 0.00 C ATOM 0 H MET A 33 -9.453 -0.388 8.971 1.00 0.00 H new ATOM 0 HA MET A 33 -8.211 2.094 9.327 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.096 1.259 7.122 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.674 1.450 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.645 3.875 7.337 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.941 3.613 7.654 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.271 3.217 4.341 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.315 2.796 6.069 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.085 1.727 4.873 1.00 0.00 H new ATOM 483 N GLY A 34 -10.854 1.436 7.460 1.00 0.00 N ATOM 484 CA GLY A 34 -12.262 1.745 7.278 1.00 0.00 C ATOM 485 C GLY A 34 -12.515 2.355 5.898 1.00 0.00 C ATOM 486 O GLY A 34 -11.649 2.309 5.026 1.00 0.00 O ATOM 0 H GLY A 34 -10.457 0.820 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.855 0.838 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.589 2.439 8.052 1.00 0.00 H new ATOM 490 N THR A 35 -13.707 2.913 5.743 1.00 0.00 N ATOM 491 CA THR A 35 -14.086 3.532 4.484 1.00 0.00 C ATOM 492 C THR A 35 -13.702 5.013 4.481 1.00 0.00 C ATOM 493 O THR A 35 -13.058 5.489 3.548 1.00 0.00 O ATOM 494 CB THR A 35 -15.581 3.291 4.269 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.664 1.912 3.917 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.122 4.023 3.040 1.00 0.00 C ATOM 0 H THR A 35 -14.423 2.949 6.469 1.00 0.00 H new ATOM 0 HA THR A 35 -13.548 3.087 3.647 1.00 0.00 H new ATOM 0 HB THR A 35 -16.131 3.613 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.601 1.670 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.187 3.818 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.969 5.096 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.596 3.678 2.150 1.00 0.00 H new ATOM 504 N THR A 36 -14.115 5.700 5.536 1.00 0.00 N ATOM 505 CA THR A 36 -13.823 7.117 5.667 1.00 0.00 C ATOM 506 C THR A 36 -12.363 7.397 5.303 1.00 0.00 C ATOM 507 O THR A 36 -12.083 8.007 4.272 1.00 0.00 O ATOM 508 CB THR A 36 -14.187 7.546 7.090 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.611 7.591 7.085 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.770 8.986 7.393 1.00 0.00 C ATOM 0 H THR A 36 -14.649 5.301 6.308 1.00 0.00 H new ATOM 0 HA THR A 36 -14.418 7.709 4.971 1.00 0.00 H new ATOM 0 HB THR A 36 -13.712 6.873 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.933 7.859 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.052 9.239 8.415 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.690 9.084 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.270 9.663 6.701 1.00 0.00 H new ATOM 518 N ARG A 37 -11.472 6.937 6.169 1.00 0.00 N ATOM 519 CA ARG A 37 -10.049 7.130 5.951 1.00 0.00 C ATOM 520 C ARG A 37 -9.648 6.610 4.569 1.00 0.00 C ATOM 521 O ARG A 37 -9.126 7.362 3.747 1.00 0.00 O ATOM 522 CB ARG A 37 -9.226 6.407 7.019 1.00 0.00 C ATOM 523 CG ARG A 37 -8.735 7.385 8.089 1.00 0.00 C ATOM 524 CD ARG A 37 -7.306 7.051 8.523 1.00 0.00 C ATOM 525 NE ARG A 37 -6.814 8.074 9.472 1.00 0.00 N ATOM 526 CZ ARG A 37 -7.175 8.139 10.761 1.00 0.00 C ATOM 527 NH1 ARG A 37 -8.035 7.242 11.262 1.00 0.00 N ATOM 528 NH2 ARG A 37 -6.678 9.103 11.548 1.00 0.00 N ATOM 0 H ARG A 37 -11.708 6.431 7.023 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.846 8.199 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.831 5.628 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.373 5.913 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.772 8.403 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.399 7.348 8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.280 6.067 8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.653 7.008 7.651 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.159 8.774 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.415 6.510 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.310 7.292 12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.025 9.787 11.166 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.953 9.153 12.529 1.00 0.00 H new ATOM 542 N ARG A 38 -9.907 5.328 4.356 1.00 0.00 N ATOM 543 CA ARG A 38 -9.579 4.700 3.088 1.00 0.00 C ATOM 544 C ARG A 38 -9.969 5.615 1.925 1.00 0.00 C ATOM 545 O ARG A 38 -9.122 5.992 1.117 1.00 0.00 O ATOM 546 CB ARG A 38 -10.300 3.358 2.936 1.00 0.00 C ATOM 547 CG ARG A 38 -10.209 2.847 1.497 1.00 0.00 C ATOM 548 CD ARG A 38 -10.675 1.393 1.401 1.00 0.00 C ATOM 549 NE ARG A 38 -10.410 0.865 0.044 1.00 0.00 N ATOM 550 CZ ARG A 38 -11.083 -0.152 -0.511 1.00 0.00 C ATOM 551 NH1 ARG A 38 -12.063 -0.758 0.172 1.00 0.00 N ATOM 552 NH2 ARG A 38 -10.774 -0.564 -1.748 1.00 0.00 N ATOM 0 H ARG A 38 -10.340 4.708 5.040 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.503 4.526 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.861 2.626 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.346 3.469 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.820 3.472 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.181 2.927 1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.157 0.787 2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.740 1.328 1.624 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.669 1.303 -0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.297 -0.445 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.576 -1.532 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.026 -0.103 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.286 -1.338 -2.171 1.00 0.00 H new ATOM 566 N ALA A 39 -11.251 5.946 1.879 1.00 0.00 N ATOM 567 CA ALA A 39 -11.763 6.810 0.829 1.00 0.00 C ATOM 568 C ALA A 39 -11.000 8.136 0.848 1.00 0.00 C ATOM 569 O ALA A 39 -10.404 8.528 -0.154 1.00 0.00 O ATOM 570 CB ALA A 39 -13.269 7.001 1.014 1.00 0.00 C ATOM 0 H ALA A 39 -11.950 5.632 2.552 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.610 6.356 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.653 7.649 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.768 6.033 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.461 7.457 1.985 1.00 0.00 H new ATOM 576 N LEU A 40 -11.044 8.790 2.000 1.00 0.00 N ATOM 577 CA LEU A 40 -10.365 10.064 2.163 1.00 0.00 C ATOM 578 C LEU A 40 -8.984 9.989 1.508 1.00 0.00 C ATOM 579 O LEU A 40 -8.756 10.591 0.460 1.00 0.00 O ATOM 580 CB LEU A 40 -10.325 10.465 3.639 1.00 0.00 C ATOM 581 CG LEU A 40 -9.351 11.588 4.003 1.00 0.00 C ATOM 582 CD1 LEU A 40 -7.917 11.062 4.093 1.00 0.00 C ATOM 583 CD2 LEU A 40 -9.472 12.757 3.024 1.00 0.00 C ATOM 0 H LEU A 40 -11.539 8.461 2.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.916 10.857 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.328 10.769 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.069 9.584 4.228 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.618 11.966 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.245 11.880 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.861 10.289 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.622 10.642 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.769 13.541 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.246 12.412 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.487 13.152 3.053 1.00 0.00 H new ATOM 595 N LEU A 41 -8.098 9.244 2.154 1.00 0.00 N ATOM 596 CA LEU A 41 -6.746 9.082 1.648 1.00 0.00 C ATOM 597 C LEU A 41 -6.792 8.916 0.127 1.00 0.00 C ATOM 598 O LEU A 41 -6.164 9.681 -0.603 1.00 0.00 O ATOM 599 CB LEU A 41 -6.037 7.935 2.371 1.00 0.00 C ATOM 600 CG LEU A 41 -5.185 8.328 3.579 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.773 9.799 3.503 1.00 0.00 C ATOM 602 CD2 LEU A 41 -5.907 8.002 4.888 1.00 0.00 C ATOM 0 H LEU A 41 -8.291 8.746 3.023 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.153 9.973 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.790 7.219 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.399 7.419 1.654 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.270 7.736 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.168 10.053 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.192 9.968 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.664 10.426 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.280 8.291 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.848 8.550 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.108 6.932 4.936 1.00 0.00 H new ATOM 614 N MET A 42 -7.541 7.912 -0.304 1.00 0.00 N ATOM 615 CA MET A 42 -7.677 7.635 -1.724 1.00 0.00 C ATOM 616 C MET A 42 -8.001 8.912 -2.502 1.00 0.00 C ATOM 617 O MET A 42 -7.380 9.194 -3.526 1.00 0.00 O ATOM 618 CB MET A 42 -8.790 6.609 -1.940 1.00 0.00 C ATOM 619 CG MET A 42 -8.281 5.187 -1.691 1.00 0.00 C ATOM 620 SD MET A 42 -9.246 4.019 -2.635 1.00 0.00 S ATOM 621 CE MET A 42 -10.892 4.579 -2.230 1.00 0.00 C ATOM 0 H MET A 42 -8.060 7.280 0.305 1.00 0.00 H new ATOM 0 HA MET A 42 -6.730 7.239 -2.090 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.622 6.824 -1.270 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.171 6.690 -2.958 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.230 5.114 -1.971 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.345 4.950 -0.629 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.609 3.787 -2.445 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.939 4.834 -1.171 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.134 5.459 -2.826 1.00 0.00 H new ATOM 631 N GLU A 43 -8.973 9.650 -1.987 1.00 0.00 N ATOM 632 CA GLU A 43 -9.388 10.890 -2.621 1.00 0.00 C ATOM 633 C GLU A 43 -8.241 11.904 -2.605 1.00 0.00 C ATOM 634 O GLU A 43 -7.983 12.570 -3.606 1.00 0.00 O ATOM 635 CB GLU A 43 -10.634 11.463 -1.943 1.00 0.00 C ATOM 636 CG GLU A 43 -10.633 12.992 -1.994 1.00 0.00 C ATOM 637 CD GLU A 43 -12.036 13.550 -1.746 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.399 13.665 -0.555 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.714 13.848 -2.752 1.00 0.00 O ATOM 0 H GLU A 43 -9.486 9.413 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.645 10.676 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.528 11.080 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.673 11.130 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.944 13.384 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.271 13.327 -2.966 1.00 0.00 H new ATOM 646 N LEU A 44 -7.585 11.988 -1.457 1.00 0.00 N ATOM 647 CA LEU A 44 -6.472 12.909 -1.298 1.00 0.00 C ATOM 648 C LEU A 44 -5.412 12.610 -2.359 1.00 0.00 C ATOM 649 O LEU A 44 -4.846 13.527 -2.952 1.00 0.00 O ATOM 650 CB LEU A 44 -5.938 12.861 0.135 1.00 0.00 C ATOM 651 CG LEU A 44 -6.933 13.239 1.235 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.205 13.738 2.485 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.956 14.255 0.723 1.00 0.00 C ATOM 0 H LEU A 44 -7.802 11.434 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.802 13.936 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.574 11.853 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.079 13.529 0.204 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.484 12.343 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.935 14.000 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.549 12.953 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.611 14.617 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.651 14.507 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.440 15.157 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.507 13.826 -0.114 1.00 0.00 H new ATOM 665 N ALA A 45 -5.175 11.323 -2.566 1.00 0.00 N ATOM 666 CA ALA A 45 -4.192 10.891 -3.546 1.00 0.00 C ATOM 667 C ALA A 45 -4.550 11.478 -4.913 1.00 0.00 C ATOM 668 O ALA A 45 -3.681 11.988 -5.620 1.00 0.00 O ATOM 669 CB ALA A 45 -4.129 9.362 -3.566 1.00 0.00 C ATOM 0 H ALA A 45 -5.646 10.565 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.199 11.255 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.392 9.038 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.843 8.997 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.107 8.961 -3.832 1.00 0.00 H new ATOM 675 N ARG A 46 -5.829 11.386 -5.245 1.00 0.00 N ATOM 676 CA ARG A 46 -6.312 11.902 -6.514 1.00 0.00 C ATOM 677 C ARG A 46 -5.961 13.385 -6.653 1.00 0.00 C ATOM 678 O ARG A 46 -5.504 13.822 -7.707 1.00 0.00 O ATOM 679 CB ARG A 46 -7.827 11.730 -6.638 1.00 0.00 C ATOM 680 CG ARG A 46 -8.178 10.346 -7.188 1.00 0.00 C ATOM 681 CD ARG A 46 -9.675 10.238 -7.487 1.00 0.00 C ATOM 682 NE ARG A 46 -9.890 10.062 -8.940 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.090 10.109 -9.534 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.191 10.327 -8.802 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.190 9.939 -10.859 1.00 0.00 N ATOM 0 H ARG A 46 -6.546 10.961 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.827 11.334 -7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.293 11.867 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.232 12.500 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.607 10.157 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.891 9.581 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.103 9.396 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.189 11.135 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.073 9.894 -9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.115 10.457 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.105 10.363 -9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.352 9.774 -11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.104 9.975 -11.310 1.00 0.00 H new ATOM 699 N ARG A 47 -6.189 14.117 -5.573 1.00 0.00 N ATOM 700 CA ARG A 47 -5.903 15.542 -5.561 1.00 0.00 C ATOM 701 C ARG A 47 -4.460 15.797 -6.002 1.00 0.00 C ATOM 702 O ARG A 47 -4.118 16.909 -6.402 1.00 0.00 O ATOM 703 CB ARG A 47 -6.114 16.134 -4.166 1.00 0.00 C ATOM 704 CG ARG A 47 -7.547 16.646 -3.999 1.00 0.00 C ATOM 705 CD ARG A 47 -8.560 15.604 -4.475 1.00 0.00 C ATOM 706 NE ARG A 47 -8.832 15.784 -5.919 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.525 14.916 -6.668 1.00 0.00 C ATOM 708 NH1 ARG A 47 -10.021 13.801 -6.114 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.722 15.162 -7.970 1.00 0.00 N ATOM 0 H ARG A 47 -6.568 13.751 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.590 16.024 -6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.904 15.377 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.411 16.951 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.732 16.886 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.676 17.569 -4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.175 14.601 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.486 15.699 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.469 16.622 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.871 13.614 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.549 13.140 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.344 16.011 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.250 14.501 -8.540 1.00 0.00 H new ATOM 723 N LYS A 48 -3.654 14.750 -5.915 1.00 0.00 N ATOM 724 CA LYS A 48 -2.257 14.846 -6.300 1.00 0.00 C ATOM 725 C LYS A 48 -2.118 14.511 -7.787 1.00 0.00 C ATOM 726 O LYS A 48 -1.175 14.955 -8.441 1.00 0.00 O ATOM 727 CB LYS A 48 -1.388 13.976 -5.390 1.00 0.00 C ATOM 728 CG LYS A 48 -1.804 14.129 -3.925 1.00 0.00 C ATOM 729 CD LYS A 48 -1.417 15.508 -3.387 1.00 0.00 C ATOM 730 CE LYS A 48 -2.170 15.822 -2.093 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.835 17.142 -2.187 1.00 0.00 N ATOM 0 H LYS A 48 -3.942 13.830 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.895 15.865 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.474 12.931 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.341 14.255 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.881 13.987 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.328 13.354 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.343 15.543 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.638 16.269 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.912 15.047 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.477 15.816 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.355 17.332 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.119 17.882 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.498 17.140 -2.988 1.00 0.00 H new ATOM 745 N GLY A 49 -3.070 13.731 -8.276 1.00 0.00 N ATOM 746 CA GLY A 49 -3.066 13.331 -9.673 1.00 0.00 C ATOM 747 C GLY A 49 -2.897 11.817 -9.809 1.00 0.00 C ATOM 748 O GLY A 49 -2.493 11.326 -10.862 1.00 0.00 O ATOM 0 H GLY A 49 -3.850 13.365 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.998 13.640 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.258 13.839 -10.198 1.00 0.00 H new ATOM 752 N PHE A 50 -3.217 11.118 -8.729 1.00 0.00 N ATOM 753 CA PHE A 50 -3.106 9.670 -8.715 1.00 0.00 C ATOM 754 C PHE A 50 -4.434 9.014 -9.099 1.00 0.00 C ATOM 755 O PHE A 50 -5.501 9.509 -8.740 1.00 0.00 O ATOM 756 CB PHE A 50 -2.744 9.263 -7.285 1.00 0.00 C ATOM 757 CG PHE A 50 -1.266 9.453 -6.939 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.314 8.764 -7.623 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.905 10.310 -5.947 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.058 8.940 -7.301 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.467 10.487 -5.626 1.00 0.00 C ATOM 762 CZ PHE A 50 1.419 9.798 -6.309 1.00 0.00 C ATOM 0 H PHE A 50 -3.553 11.528 -7.858 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.352 9.348 -9.433 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.347 9.845 -6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.009 8.216 -7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.601 8.083 -8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.662 10.856 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.815 8.393 -7.844 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.754 11.169 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.462 9.932 -6.064 1.00 0.00 H new ATOM 772 N ARG A 51 -4.325 7.911 -9.824 1.00 0.00 N ATOM 773 CA ARG A 51 -5.504 7.182 -10.261 1.00 0.00 C ATOM 774 C ARG A 51 -5.925 6.168 -9.196 1.00 0.00 C ATOM 775 O ARG A 51 -5.615 4.983 -9.305 1.00 0.00 O ATOM 776 CB ARG A 51 -5.242 6.450 -11.578 1.00 0.00 C ATOM 777 CG ARG A 51 -6.483 5.677 -12.031 1.00 0.00 C ATOM 778 CD ARG A 51 -6.165 4.789 -13.236 1.00 0.00 C ATOM 779 NE ARG A 51 -6.531 5.486 -14.489 1.00 0.00 N ATOM 780 CZ ARG A 51 -6.501 4.916 -15.702 1.00 0.00 C ATOM 781 NH1 ARG A 51 -6.123 3.637 -15.832 1.00 0.00 N ATOM 782 NH2 ARG A 51 -6.850 5.625 -16.784 1.00 0.00 N ATOM 0 H ARG A 51 -3.438 7.504 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.304 7.906 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.955 7.168 -12.347 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.405 5.762 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.854 5.063 -11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.278 6.377 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.104 4.541 -13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.712 3.849 -13.160 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.824 6.461 -14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.858 3.097 -15.008 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.100 3.203 -16.755 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.138 6.598 -16.685 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.827 5.191 -17.707 1.00 0.00 H new ATOM 796 N VAL A 52 -6.627 6.670 -8.190 1.00 0.00 N ATOM 797 CA VAL A 52 -7.094 5.822 -7.107 1.00 0.00 C ATOM 798 C VAL A 52 -8.353 5.077 -7.555 1.00 0.00 C ATOM 799 O VAL A 52 -9.098 5.564 -8.405 1.00 0.00 O ATOM 800 CB VAL A 52 -7.311 6.658 -5.844 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.646 5.766 -4.647 1.00 0.00 C ATOM 802 CG2 VAL A 52 -6.092 7.535 -5.551 1.00 0.00 C ATOM 0 H VAL A 52 -6.883 7.653 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.344 5.072 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.162 7.316 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.795 6.385 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.557 5.205 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.825 5.072 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.272 8.119 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.216 6.903 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.918 8.209 -6.390 1.00 0.00 H new ATOM 812 N GLU A 53 -8.554 3.909 -6.963 1.00 0.00 N ATOM 813 CA GLU A 53 -9.710 3.092 -7.290 1.00 0.00 C ATOM 814 C GLU A 53 -10.429 2.653 -6.012 1.00 0.00 C ATOM 815 O GLU A 53 -9.790 2.408 -4.990 1.00 0.00 O ATOM 816 CB GLU A 53 -9.306 1.883 -8.135 1.00 0.00 C ATOM 817 CG GLU A 53 -8.588 2.321 -9.413 1.00 0.00 C ATOM 818 CD GLU A 53 -9.568 2.955 -10.402 1.00 0.00 C ATOM 819 OE1 GLU A 53 -9.844 4.163 -10.233 1.00 0.00 O ATOM 820 OE2 GLU A 53 -10.020 2.218 -11.305 1.00 0.00 O ATOM 0 H GLU A 53 -7.935 3.509 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.399 3.693 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.655 1.230 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.192 1.303 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.802 3.035 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.104 1.461 -9.876 1.00 0.00 H new ATOM 827 N ASN A 54 -11.747 2.568 -6.113 1.00 0.00 N ATOM 828 CA ASN A 54 -12.559 2.163 -4.978 1.00 0.00 C ATOM 829 C ASN A 54 -12.523 0.639 -4.848 1.00 0.00 C ATOM 830 O ASN A 54 -12.553 0.106 -3.740 1.00 0.00 O ATOM 831 CB ASN A 54 -14.017 2.587 -5.165 1.00 0.00 C ATOM 832 CG ASN A 54 -14.409 3.664 -4.152 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.409 3.453 -2.951 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.744 4.828 -4.702 1.00 0.00 N ATOM 0 H ASN A 54 -12.273 2.773 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.155 2.643 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.163 2.964 -6.177 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.669 1.721 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.022 5.611 -4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.723 4.938 -5.716 1.00 0.00 H new ATOM 841 N GLU A 55 -12.458 -0.019 -5.996 1.00 0.00 N ATOM 842 CA GLU A 55 -12.417 -1.471 -6.025 1.00 0.00 C ATOM 843 C GLU A 55 -11.153 -1.953 -6.740 1.00 0.00 C ATOM 844 O GLU A 55 -10.632 -1.266 -7.617 1.00 0.00 O ATOM 845 CB GLU A 55 -13.673 -2.042 -6.687 1.00 0.00 C ATOM 846 CG GLU A 55 -13.881 -1.441 -8.078 1.00 0.00 C ATOM 847 CD GLU A 55 -15.161 -1.978 -8.721 1.00 0.00 C ATOM 848 OE1 GLU A 55 -16.230 -1.401 -8.426 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.042 -2.953 -9.495 1.00 0.00 O ATOM 0 H GLU A 55 -12.433 0.427 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.390 -1.834 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.587 -3.126 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.543 -1.835 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.935 -0.355 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.025 -1.676 -8.711 1.00 0.00 H new ATOM 856 N LEU A 56 -10.697 -3.130 -6.339 1.00 0.00 N ATOM 857 CA LEU A 56 -9.504 -3.711 -6.930 1.00 0.00 C ATOM 858 C LEU A 56 -9.721 -3.891 -8.434 1.00 0.00 C ATOM 859 O LEU A 56 -10.858 -3.993 -8.893 1.00 0.00 O ATOM 860 CB LEU A 56 -9.121 -5.003 -6.206 1.00 0.00 C ATOM 861 CG LEU A 56 -7.940 -5.778 -6.794 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.643 -4.976 -6.670 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.821 -7.163 -6.156 1.00 0.00 C ATOM 0 H LEU A 56 -11.132 -3.697 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.654 -3.040 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.890 -4.760 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.991 -5.660 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.125 -5.929 -7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.819 -5.549 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.745 -4.033 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.440 -4.774 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.974 -7.693 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.669 -7.057 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.735 -7.728 -6.339 1.00 0.00 H new ATOM 875 N SER A 57 -8.613 -3.924 -9.160 1.00 0.00 N ATOM 876 CA SER A 57 -8.668 -4.090 -10.603 1.00 0.00 C ATOM 877 C SER A 57 -7.268 -4.369 -11.151 1.00 0.00 C ATOM 878 O SER A 57 -6.270 -4.006 -10.530 1.00 0.00 O ATOM 879 CB SER A 57 -9.265 -2.853 -11.277 1.00 0.00 C ATOM 880 OG SER A 57 -8.715 -1.645 -10.759 1.00 0.00 O ATOM 0 H SER A 57 -7.672 -3.839 -8.776 1.00 0.00 H new ATOM 0 HA SER A 57 -9.314 -4.939 -10.825 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.084 -2.902 -12.351 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.346 -2.849 -11.136 1.00 0.00 H new ATOM 0 HG SER A 57 -9.120 -0.879 -11.216 1.00 0.00 H new ATOM 886 N ASP A 58 -7.238 -5.012 -12.309 1.00 0.00 N ATOM 887 CA ASP A 58 -5.976 -5.345 -12.949 1.00 0.00 C ATOM 888 C ASP A 58 -5.154 -4.068 -13.139 1.00 0.00 C ATOM 889 O ASP A 58 -3.940 -4.130 -13.323 1.00 0.00 O ATOM 890 CB ASP A 58 -6.205 -5.970 -14.326 1.00 0.00 C ATOM 891 CG ASP A 58 -5.071 -5.753 -15.331 1.00 0.00 C ATOM 892 OD1 ASP A 58 -3.910 -5.998 -14.937 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.391 -5.348 -16.469 1.00 0.00 O ATOM 0 H ASP A 58 -8.068 -5.312 -12.821 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.452 -6.058 -12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.359 -7.042 -14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.125 -5.562 -14.745 1.00 0.00 H new ATOM 898 N SER A 59 -5.850 -2.942 -13.088 1.00 0.00 N ATOM 899 CA SER A 59 -5.199 -1.653 -13.253 1.00 0.00 C ATOM 900 C SER A 59 -4.417 -1.296 -11.987 1.00 0.00 C ATOM 901 O SER A 59 -3.500 -0.477 -12.030 1.00 0.00 O ATOM 902 CB SER A 59 -6.219 -0.558 -13.573 1.00 0.00 C ATOM 903 OG SER A 59 -7.182 -0.989 -14.531 1.00 0.00 O ATOM 0 H SER A 59 -6.857 -2.895 -12.935 1.00 0.00 H new ATOM 0 HA SER A 59 -4.507 -1.724 -14.092 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.728 -0.258 -12.657 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.699 0.322 -13.952 1.00 0.00 H new ATOM 0 HG SER A 59 -7.816 -0.263 -14.707 1.00 0.00 H new ATOM 909 N VAL A 60 -4.808 -1.928 -10.890 1.00 0.00 N ATOM 910 CA VAL A 60 -4.156 -1.687 -9.615 1.00 0.00 C ATOM 911 C VAL A 60 -2.691 -2.119 -9.707 1.00 0.00 C ATOM 912 O VAL A 60 -2.398 -3.301 -9.887 1.00 0.00 O ATOM 913 CB VAL A 60 -4.919 -2.396 -8.494 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.120 -2.377 -7.189 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.304 -1.777 -8.298 1.00 0.00 C ATOM 0 H VAL A 60 -5.569 -2.607 -10.858 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.167 -0.624 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.055 -3.437 -8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.685 -2.887 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.167 -2.885 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.938 -1.345 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.826 -2.299 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.198 -0.724 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.876 -1.866 -9.221 1.00 0.00 H new ATOM 925 N THR A 61 -1.809 -1.139 -9.579 1.00 0.00 N ATOM 926 CA THR A 61 -0.381 -1.403 -9.646 1.00 0.00 C ATOM 927 C THR A 61 0.261 -1.211 -8.271 1.00 0.00 C ATOM 928 O THR A 61 1.374 -1.677 -8.031 1.00 0.00 O ATOM 929 CB THR A 61 0.217 -0.502 -10.728 1.00 0.00 C ATOM 930 OG1 THR A 61 0.121 0.810 -10.178 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.651 -0.442 -11.986 1.00 0.00 C ATOM 0 H THR A 61 -2.055 -0.161 -9.429 1.00 0.00 H new ATOM 0 HA THR A 61 -0.183 -2.439 -9.921 1.00 0.00 H new ATOM 0 HB THR A 61 1.212 -0.861 -10.990 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.261 0.769 -9.209 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.181 0.211 -12.722 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.756 -1.443 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.636 -0.051 -11.730 1.00 0.00 H new ATOM 939 N HIS A 62 -0.467 -0.524 -7.404 1.00 0.00 N ATOM 940 CA HIS A 62 0.018 -0.264 -6.059 1.00 0.00 C ATOM 941 C HIS A 62 -1.132 -0.414 -5.061 1.00 0.00 C ATOM 942 O HIS A 62 -2.147 0.272 -5.169 1.00 0.00 O ATOM 943 CB HIS A 62 0.696 1.106 -5.981 1.00 0.00 C ATOM 944 CG HIS A 62 1.598 1.412 -7.152 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.177 2.135 -8.254 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.903 1.086 -7.381 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.190 2.233 -9.102 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.259 1.582 -8.560 1.00 0.00 N ATOM 0 H HIS A 62 -1.390 -0.139 -7.606 1.00 0.00 H new ATOM 0 HA HIS A 62 0.780 -0.997 -5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.072 1.877 -5.916 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.280 1.159 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.539 0.520 -6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.172 2.740 -10.056 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.180 1.491 -8.989 1.00 0.00 H new ATOM 956 N ILE A 63 -0.934 -1.316 -4.110 1.00 0.00 N ATOM 957 CA ILE A 63 -1.942 -1.565 -3.094 1.00 0.00 C ATOM 958 C ILE A 63 -1.447 -1.027 -1.749 1.00 0.00 C ATOM 959 O ILE A 63 -0.409 -1.457 -1.248 1.00 0.00 O ATOM 960 CB ILE A 63 -2.316 -3.048 -3.062 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.204 -3.415 -4.253 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.964 -3.422 -1.727 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.427 -4.927 -4.325 1.00 0.00 C ATOM 0 H ILE A 63 -0.091 -1.883 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.863 -1.033 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.401 -3.633 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.164 -2.906 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.741 -3.068 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.220 -4.481 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.266 -3.220 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.868 -2.831 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.061 -5.161 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.467 -5.431 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.912 -5.267 -3.410 1.00 0.00 H new ATOM 975 N VAL A 64 -2.214 -0.094 -1.203 1.00 0.00 N ATOM 976 CA VAL A 64 -1.867 0.507 0.073 1.00 0.00 C ATOM 977 C VAL A 64 -2.602 -0.229 1.195 1.00 0.00 C ATOM 978 O VAL A 64 -3.735 -0.671 1.015 1.00 0.00 O ATOM 979 CB VAL A 64 -2.169 2.007 0.044 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.725 2.680 1.344 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.519 2.674 -1.169 1.00 0.00 C ATOM 0 H VAL A 64 -3.074 0.260 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.799 0.408 0.264 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.248 2.130 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.951 3.745 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.255 2.233 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.652 2.542 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.749 3.739 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.439 2.536 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.905 2.222 -2.083 1.00 0.00 H new ATOM 991 N ALA A 65 -1.925 -0.339 2.329 1.00 0.00 N ATOM 992 CA ALA A 65 -2.500 -1.014 3.481 1.00 0.00 C ATOM 993 C ALA A 65 -1.740 -0.598 4.742 1.00 0.00 C ATOM 994 O ALA A 65 -0.511 -0.559 4.746 1.00 0.00 O ATOM 995 CB ALA A 65 -2.468 -2.527 3.254 1.00 0.00 C ATOM 0 H ALA A 65 -0.984 0.028 2.475 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.543 -0.726 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.899 -3.034 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.045 -2.774 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.437 -2.853 3.120 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.504 -0.297 5.782 1.00 0.00 N ATOM 1002 CA GLU A 66 -1.919 0.116 7.046 1.00 0.00 C ATOM 1003 C GLU A 66 -2.047 -1.004 8.081 1.00 0.00 C ATOM 1004 O GLU A 66 -3.075 -1.677 8.148 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.563 1.408 7.553 1.00 0.00 C ATOM 1006 CG GLU A 66 -1.764 1.998 8.717 1.00 0.00 C ATOM 1007 CD GLU A 66 -2.400 3.298 9.214 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.112 3.928 8.403 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -2.159 3.632 10.394 1.00 0.00 O ATOM 0 H GLU A 66 -3.523 -0.331 5.775 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.860 0.317 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.620 2.133 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.585 1.208 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.716 1.277 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.739 2.188 8.400 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.990 -1.169 8.862 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.972 -2.195 9.891 1.00 0.00 C ATOM 1018 C ASN A 67 -1.135 -3.569 9.237 1.00 0.00 C ATOM 1019 O ASN A 67 -1.784 -4.453 9.794 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.123 -2.004 10.880 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.874 -0.795 11.784 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.102 -0.842 12.728 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -2.568 0.288 11.444 1.00 0.00 N ATOM 0 H ASN A 67 -0.139 -0.609 8.803 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.023 -2.122 10.423 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.057 -1.869 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.237 -2.901 11.489 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.471 1.147 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.197 0.259 10.642 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.534 -3.705 8.064 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.604 -4.957 7.328 1.00 0.00 C ATOM 1032 C ASN A 68 0.786 -5.307 6.794 1.00 0.00 C ATOM 1033 O ASN A 68 1.580 -4.419 6.489 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.554 -4.841 6.135 1.00 0.00 C ATOM 1035 CG ASN A 68 -2.644 -3.801 6.400 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -2.718 -2.765 5.760 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.483 -4.134 7.377 1.00 0.00 N ATOM 0 H ASN A 68 0.003 -2.970 7.605 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.970 -5.728 8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.991 -4.564 5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.012 -5.810 5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.246 -3.506 7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.364 -5.018 7.873 1.00 0.00 H new ATOM 1044 N SER A 69 1.038 -6.604 6.697 1.00 0.00 N ATOM 1045 CA SER A 69 2.318 -7.084 6.204 1.00 0.00 C ATOM 1046 C SER A 69 2.170 -7.594 4.769 1.00 0.00 C ATOM 1047 O SER A 69 1.137 -8.159 4.412 1.00 0.00 O ATOM 1048 CB SER A 69 2.877 -8.187 7.105 1.00 0.00 C ATOM 1049 OG SER A 69 1.842 -8.963 7.703 1.00 0.00 O ATOM 0 H SER A 69 0.377 -7.338 6.952 1.00 0.00 H new ATOM 0 HA SER A 69 3.022 -6.252 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.527 -8.838 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.493 -7.740 7.886 1.00 0.00 H new ATOM 0 HG SER A 69 1.834 -9.859 7.306 1.00 0.00 H new ATOM 1055 N GLY A 70 3.216 -7.375 3.986 1.00 0.00 N ATOM 1056 CA GLY A 70 3.214 -7.806 2.598 1.00 0.00 C ATOM 1057 C GLY A 70 2.604 -9.202 2.458 1.00 0.00 C ATOM 1058 O GLY A 70 2.050 -9.538 1.413 1.00 0.00 O ATOM 0 H GLY A 70 4.070 -6.905 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.649 -7.096 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.234 -7.811 2.214 1.00 0.00 H new ATOM 1062 N SER A 71 2.725 -9.976 3.526 1.00 0.00 N ATOM 1063 CA SER A 71 2.192 -11.328 3.535 1.00 0.00 C ATOM 1064 C SER A 71 0.666 -11.288 3.639 1.00 0.00 C ATOM 1065 O SER A 71 -0.028 -12.000 2.915 1.00 0.00 O ATOM 1066 CB SER A 71 2.782 -12.145 4.686 1.00 0.00 C ATOM 1067 OG SER A 71 2.463 -11.584 5.957 1.00 0.00 O ATOM 0 H SER A 71 3.184 -9.693 4.392 1.00 0.00 H new ATOM 0 HA SER A 71 2.473 -11.813 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.405 -13.167 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.865 -12.199 4.575 1.00 0.00 H new ATOM 0 HG SER A 71 2.856 -12.135 6.666 1.00 0.00 H new ATOM 1073 N ASP A 72 0.189 -10.448 4.546 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.242 -10.306 4.755 1.00 0.00 C ATOM 1075 C ASP A 72 -1.900 -9.849 3.451 1.00 0.00 C ATOM 1076 O ASP A 72 -2.857 -10.465 2.986 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.541 -9.258 5.828 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.213 -9.799 7.092 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.463 -10.239 7.989 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -3.462 -9.761 7.131 1.00 0.00 O ATOM 0 H ASP A 72 0.768 -9.859 5.144 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.633 -11.271 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.607 -8.773 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.181 -8.489 5.395 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.360 -8.772 2.899 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.883 -8.225 1.659 1.00 0.00 C ATOM 1087 C VAL A 73 -1.816 -9.294 0.567 1.00 0.00 C ATOM 1088 O VAL A 73 -2.679 -9.349 -0.308 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.127 -6.947 1.291 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.728 -6.293 0.045 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.101 -5.967 2.466 1.00 0.00 C ATOM 0 H VAL A 73 -0.566 -8.264 3.288 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.930 -7.945 1.777 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.098 -7.222 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.172 -5.387 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.670 -6.987 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.771 -6.039 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.558 -5.067 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.122 -5.702 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.605 -6.433 3.318 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.782 -10.119 0.653 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.591 -11.184 -0.317 1.00 0.00 C ATOM 1103 C LEU A 74 -1.761 -12.165 -0.227 1.00 0.00 C ATOM 1104 O LEU A 74 -2.507 -12.337 -1.190 1.00 0.00 O ATOM 1105 CB LEU A 74 0.778 -11.840 -0.129 1.00 0.00 C ATOM 1106 CG LEU A 74 1.905 -11.308 -1.017 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.275 -11.674 -0.442 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.741 -11.791 -2.459 1.00 0.00 C ATOM 0 H LEU A 74 -0.068 -10.071 1.380 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.589 -10.782 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.076 -11.720 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.674 -12.910 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 74 1.843 -10.220 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.058 -11.284 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.380 -11.241 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.364 -12.758 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.555 -11.399 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.763 -12.881 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.789 -11.438 -2.855 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.886 -12.784 0.938 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.953 -13.743 1.165 1.00 0.00 C ATOM 1122 C GLU A 75 -4.284 -13.188 0.655 1.00 0.00 C ATOM 1123 O GLU A 75 -5.085 -13.920 0.077 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.046 -14.118 2.646 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.738 -14.743 3.137 1.00 0.00 C ATOM 1126 CD GLU A 75 -2.004 -16.040 3.904 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.544 -15.935 5.026 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.661 -17.106 3.350 1.00 0.00 O ATOM 0 H GLU A 75 -1.266 -12.640 1.735 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.724 -14.651 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.273 -13.230 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.867 -14.819 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.086 -14.946 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.212 -14.037 3.780 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.478 -11.898 0.888 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.699 -11.236 0.459 1.00 0.00 C ATOM 1137 C TRP A 76 -5.695 -11.181 -1.070 1.00 0.00 C ATOM 1138 O TRP A 76 -6.723 -11.410 -1.706 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.830 -9.856 1.106 1.00 0.00 C ATOM 1140 CG TRP A 76 -6.948 -8.995 0.515 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.199 -8.839 0.971 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.866 -8.173 -0.669 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -8.925 -7.981 0.171 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.089 -7.562 -0.857 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.793 -7.953 -1.550 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.355 -6.691 -1.921 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.075 -7.080 -2.608 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.301 -6.457 -2.812 1.00 0.00 C ATOM 0 H TRP A 76 -3.811 -11.294 1.368 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.576 -11.795 0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.009 -9.982 2.174 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.883 -9.326 1.002 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.589 -9.324 1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.897 -7.705 0.309 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.828 -8.420 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.321 -6.225 -2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.285 -6.876 -3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.440 -5.795 -3.654 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.527 -10.877 -1.616 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.376 -10.789 -3.059 1.00 0.00 C ATOM 1161 C LEU A 77 -4.894 -12.078 -3.701 1.00 0.00 C ATOM 1162 O LEU A 77 -5.736 -12.034 -4.597 1.00 0.00 O ATOM 1163 CB LEU A 77 -2.928 -10.459 -3.427 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.735 -9.349 -4.462 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -3.810 -9.420 -5.549 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.690 -7.975 -3.790 1.00 0.00 C ATOM 0 H LEU A 77 -3.676 -10.689 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.977 -9.970 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.398 -10.176 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.454 -11.366 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.772 -9.501 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.650 -8.620 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.752 -10.384 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.794 -9.307 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.552 -7.204 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.625 -7.799 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.860 -7.942 -3.084 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.370 -13.195 -3.218 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.770 -14.493 -3.734 1.00 0.00 C ATOM 1180 C GLN A 78 -6.243 -14.759 -3.417 1.00 0.00 C ATOM 1181 O GLN A 78 -6.928 -15.452 -4.169 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.879 -15.603 -3.173 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.445 -15.468 -3.688 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.828 -16.842 -3.960 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.441 -17.877 -3.758 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.584 -16.793 -4.428 1.00 0.00 N ATOM 0 H GLN A 78 -3.672 -13.228 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.648 -14.486 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.883 -15.562 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.281 -16.575 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.438 -14.875 -4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.841 -14.933 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.129 -15.892 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.085 -17.657 -4.641 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.687 -14.195 -2.304 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.066 -14.363 -1.878 1.00 0.00 C ATOM 1197 C ALA A 79 -8.994 -13.693 -2.894 1.00 0.00 C ATOM 1198 O ALA A 79 -10.101 -14.171 -3.139 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.239 -13.795 -0.468 1.00 0.00 C ATOM 0 H ALA A 79 -6.116 -13.621 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.329 -15.420 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.274 -13.921 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.580 -14.324 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.987 -12.735 -0.469 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.508 -12.598 -3.459 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.279 -11.857 -4.443 1.00 0.00 C ATOM 1207 C GLN A 80 -9.771 -12.796 -5.547 1.00 0.00 C ATOM 1208 O GLN A 80 -9.200 -13.864 -5.759 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.461 -10.705 -5.027 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.004 -9.744 -3.928 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.106 -9.539 -2.887 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.113 -8.894 -3.129 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -8.860 -10.121 -1.716 1.00 0.00 N ATOM 0 H GLN A 80 -7.589 -12.206 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.148 -11.425 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.592 -11.101 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.059 -10.165 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.110 -10.138 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.732 -8.785 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.997 -10.647 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.535 -10.041 -0.955 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.826 -12.362 -6.221 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.401 -13.150 -7.298 1.00 0.00 C ATOM 1224 C LYS A 81 -11.129 -12.456 -8.634 1.00 0.00 C ATOM 1225 O LYS A 81 -11.452 -12.991 -9.693 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.885 -13.416 -7.034 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.100 -13.969 -5.624 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.240 -14.990 -5.604 1.00 0.00 C ATOM 1229 CE LYS A 81 -13.806 -16.283 -4.911 1.00 0.00 C ATOM 1230 NZ LYS A 81 -14.979 -16.984 -4.341 1.00 0.00 N ATOM 0 H LYS A 81 -11.297 -11.475 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.928 -14.131 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.451 -12.493 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.268 -14.124 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.182 -14.437 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.327 -13.152 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.102 -14.568 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.555 -15.208 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.298 -16.932 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.091 -16.057 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.667 -17.860 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.447 -16.369 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.648 -17.217 -5.102 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.538 -11.274 -8.540 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.219 -10.500 -9.728 1.00 0.00 C ATOM 1246 C VAL A 82 -8.922 -11.030 -10.343 1.00 0.00 C ATOM 1247 O VAL A 82 -8.172 -11.756 -9.691 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.151 -9.012 -9.381 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.134 -8.754 -8.268 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.832 -8.174 -10.621 1.00 0.00 C ATOM 0 H VAL A 82 -10.272 -10.833 -7.660 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.003 -10.610 -10.477 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.132 -8.708 -9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.106 -7.688 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.424 -9.308 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.147 -9.082 -8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.789 -7.120 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.870 -8.482 -11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.609 -8.323 -11.370 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.696 -10.646 -11.591 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.502 -11.073 -12.301 1.00 0.00 C ATOM 1262 C GLN A 83 -6.579 -9.880 -12.553 1.00 0.00 C ATOM 1263 O GLN A 83 -7.017 -8.847 -13.058 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.865 -11.773 -13.612 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.504 -10.792 -14.598 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.333 -11.533 -15.649 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -8.816 -12.104 -16.595 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.645 -11.492 -15.431 1.00 0.00 N ATOM 0 H GLN A 83 -9.319 -10.044 -12.129 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.970 -11.793 -11.678 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.970 -12.209 -14.056 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.554 -12.594 -13.412 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.139 -10.090 -14.058 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.727 -10.206 -15.089 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.012 -10.996 -14.619 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.284 -11.957 -16.076 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.318 -10.061 -12.190 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.329 -9.012 -12.371 1.00 0.00 C ATOM 1279 C VAL A 84 -3.242 -9.501 -13.331 1.00 0.00 C ATOM 1280 O VAL A 84 -2.668 -10.570 -13.131 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.774 -8.576 -11.013 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.479 -7.313 -10.513 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.883 -9.706 -9.988 1.00 0.00 C ATOM 0 H VAL A 84 -4.958 -10.919 -11.771 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.786 -8.130 -12.819 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.717 -8.342 -11.142 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.066 -7.024 -9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.328 -6.505 -11.228 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.546 -7.509 -10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.482 -9.370 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.929 -9.985 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.316 -10.569 -10.336 1.00 0.00 H new ATOM 1293 N SER A 85 -2.994 -8.695 -14.353 1.00 0.00 N ATOM 1294 CA SER A 85 -1.986 -9.032 -15.344 1.00 0.00 C ATOM 1295 C SER A 85 -0.606 -9.092 -14.688 1.00 0.00 C ATOM 1296 O SER A 85 0.275 -9.816 -15.150 1.00 0.00 O ATOM 1297 CB SER A 85 -1.984 -8.021 -16.493 1.00 0.00 C ATOM 1298 OG SER A 85 -2.666 -8.518 -17.642 1.00 0.00 O ATOM 0 H SER A 85 -3.474 -7.810 -14.516 1.00 0.00 H new ATOM 0 HA SER A 85 -2.227 -10.011 -15.757 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.456 -7.096 -16.163 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.956 -7.776 -16.759 1.00 0.00 H new ATOM 0 HG SER A 85 -2.644 -7.843 -18.353 1.00 0.00 H new ATOM 1304 N SER A 86 -0.459 -8.321 -13.620 1.00 0.00 N ATOM 1305 CA SER A 86 0.800 -8.278 -12.896 1.00 0.00 C ATOM 1306 C SER A 86 0.552 -7.879 -11.439 1.00 0.00 C ATOM 1307 O SER A 86 -0.056 -6.844 -11.170 1.00 0.00 O ATOM 1308 CB SER A 86 1.780 -7.305 -13.553 1.00 0.00 C ATOM 1309 OG SER A 86 3.022 -7.246 -12.857 1.00 0.00 O ATOM 0 H SER A 86 -1.191 -7.721 -13.239 1.00 0.00 H new ATOM 0 HA SER A 86 1.245 -9.273 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.957 -7.610 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.336 -6.310 -13.586 1.00 0.00 H new ATOM 0 HG SER A 86 3.621 -6.615 -13.309 1.00 0.00 H new ATOM 1315 N GLN A 87 1.036 -8.721 -10.538 1.00 0.00 N ATOM 1316 CA GLN A 87 0.875 -8.469 -9.116 1.00 0.00 C ATOM 1317 C GLN A 87 1.180 -7.004 -8.799 1.00 0.00 C ATOM 1318 O GLN A 87 2.209 -6.476 -9.216 1.00 0.00 O ATOM 1319 CB GLN A 87 1.760 -9.405 -8.290 1.00 0.00 C ATOM 1320 CG GLN A 87 1.636 -9.099 -6.796 1.00 0.00 C ATOM 1321 CD GLN A 87 2.979 -9.282 -6.086 1.00 0.00 C ATOM 1322 OE1 GLN A 87 4.036 -9.286 -6.694 1.00 0.00 O ATOM 1323 NE2 GLN A 87 2.878 -9.433 -4.768 1.00 0.00 N ATOM 0 H GLN A 87 1.540 -9.578 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.162 -8.670 -8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.475 -10.440 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.799 -9.298 -8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.284 -8.077 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.891 -9.756 -6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.961 -9.420 -4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.718 -9.562 -4.204 1.00 0.00 H new ATOM 1332 N PRO A 88 0.242 -6.372 -8.043 1.00 0.00 N ATOM 1333 CA PRO A 88 0.400 -4.978 -7.665 1.00 0.00 C ATOM 1334 C PRO A 88 1.444 -4.826 -6.558 1.00 0.00 C ATOM 1335 O PRO A 88 1.826 -5.806 -5.921 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.988 -4.526 -7.240 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.770 -5.797 -6.953 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.990 -6.966 -7.532 1.00 0.00 C ATOM 0 HA PRO A 88 0.772 -4.360 -8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.938 -3.890 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.466 -3.942 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.909 -5.925 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.763 -5.743 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.781 -7.718 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.550 -7.461 -8.325 1.00 0.00 H new ATOM 1346 N GLU A 89 1.876 -3.589 -6.362 1.00 0.00 N ATOM 1347 CA GLU A 89 2.869 -3.295 -5.342 1.00 0.00 C ATOM 1348 C GLU A 89 2.206 -3.205 -3.966 1.00 0.00 C ATOM 1349 O GLU A 89 1.132 -2.622 -3.828 1.00 0.00 O ATOM 1350 CB GLU A 89 3.628 -2.008 -5.670 1.00 0.00 C ATOM 1351 CG GLU A 89 5.032 -2.318 -6.195 1.00 0.00 C ATOM 1352 CD GLU A 89 5.771 -3.271 -5.254 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.454 -3.235 -4.045 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.636 -4.015 -5.764 1.00 0.00 O ATOM 0 H GLU A 89 1.557 -2.778 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 89 3.593 -4.110 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.075 -1.436 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.699 -1.386 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.963 -2.762 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.598 -1.392 -6.299 1.00 0.00 H new ATOM 1361 N LEU A 90 2.874 -3.791 -2.983 1.00 0.00 N ATOM 1362 CA LEU A 90 2.362 -3.785 -1.623 1.00 0.00 C ATOM 1363 C LEU A 90 3.160 -2.781 -0.788 1.00 0.00 C ATOM 1364 O LEU A 90 4.309 -3.039 -0.432 1.00 0.00 O ATOM 1365 CB LEU A 90 2.359 -5.201 -1.045 1.00 0.00 C ATOM 1366 CG LEU A 90 1.899 -6.311 -1.992 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.553 -7.585 -1.217 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.735 -5.839 -2.865 1.00 0.00 C ATOM 0 H LEU A 90 3.765 -4.273 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 90 1.322 -3.458 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.368 -5.435 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.716 -5.212 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 90 2.725 -6.554 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.229 -8.358 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.433 -7.931 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.751 -7.374 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.427 -6.647 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.103 -5.552 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.050 -4.981 -3.459 1.00 0.00 H new ATOM 1380 N LEU A 91 2.519 -1.658 -0.500 1.00 0.00 N ATOM 1381 CA LEU A 91 3.155 -0.615 0.287 1.00 0.00 C ATOM 1382 C LEU A 91 2.256 -0.255 1.471 1.00 0.00 C ATOM 1383 O LEU A 91 1.095 -0.660 1.519 1.00 0.00 O ATOM 1384 CB LEU A 91 3.513 0.581 -0.598 1.00 0.00 C ATOM 1385 CG LEU A 91 3.929 0.252 -2.034 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.473 1.346 -3.001 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.435 -0.001 -2.123 1.00 0.00 C ATOM 0 H LEU A 91 1.566 -1.447 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 91 4.099 -0.972 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.654 1.251 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.326 1.130 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 91 3.429 -0.670 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.781 1.088 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.387 1.435 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.925 2.296 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.705 -0.233 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.973 0.889 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.702 -0.840 -1.481 1.00 0.00 H new ATOM 1399 N ASP A 92 2.826 0.500 2.398 1.00 0.00 N ATOM 1400 CA ASP A 92 2.090 0.919 3.579 1.00 0.00 C ATOM 1401 C ASP A 92 1.482 2.301 3.333 1.00 0.00 C ATOM 1402 O ASP A 92 1.905 3.016 2.426 1.00 0.00 O ATOM 1403 CB ASP A 92 3.012 1.017 4.796 1.00 0.00 C ATOM 1404 CG ASP A 92 2.395 0.546 6.115 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.556 -0.379 6.051 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.776 1.121 7.157 1.00 0.00 O ATOM 0 H ASP A 92 3.789 0.833 2.355 1.00 0.00 H new ATOM 0 HA ASP A 92 1.314 0.178 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.909 0.429 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.329 2.054 4.910 1.00 0.00 H new ATOM 1411 N VAL A 93 0.501 2.636 4.158 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.169 3.920 4.041 1.00 0.00 C ATOM 1413 C VAL A 93 0.877 5.035 4.010 1.00 0.00 C ATOM 1414 O VAL A 93 0.637 6.101 3.445 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.185 4.085 5.173 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.495 4.048 6.538 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.993 5.373 5.001 1.00 0.00 C ATOM 0 H VAL A 93 0.154 2.041 4.910 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.730 3.974 3.108 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.879 3.246 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.239 4.167 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.015 3.093 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.232 4.858 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.708 5.466 5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.319 6.229 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.529 5.342 4.052 1.00 0.00 H new ATOM 1427 N SER A 94 2.016 4.752 4.624 1.00 0.00 N ATOM 1428 CA SER A 94 3.101 5.718 4.674 1.00 0.00 C ATOM 1429 C SER A 94 3.428 6.210 3.262 1.00 0.00 C ATOM 1430 O SER A 94 3.382 7.409 2.993 1.00 0.00 O ATOM 1431 CB SER A 94 4.346 5.115 5.328 1.00 0.00 C ATOM 1432 OG SER A 94 4.044 4.485 6.570 1.00 0.00 O ATOM 0 H SER A 94 2.212 3.867 5.092 1.00 0.00 H new ATOM 0 HA SER A 94 2.779 6.564 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.794 4.387 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.086 5.898 5.489 1.00 0.00 H new ATOM 0 HG SER A 94 4.864 4.111 6.955 1.00 0.00 H new ATOM 1438 N TRP A 95 3.751 5.259 2.399 1.00 0.00 N ATOM 1439 CA TRP A 95 4.086 5.580 1.022 1.00 0.00 C ATOM 1440 C TRP A 95 3.067 6.601 0.513 1.00 0.00 C ATOM 1441 O TRP A 95 3.438 7.609 -0.087 1.00 0.00 O ATOM 1442 CB TRP A 95 4.146 4.316 0.162 1.00 0.00 C ATOM 1443 CG TRP A 95 4.544 4.571 -1.293 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.738 4.955 -1.766 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.694 4.443 -2.452 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.719 5.083 -3.140 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.437 4.763 -3.570 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.342 4.071 -2.552 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.914 4.742 -4.869 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.835 4.055 -3.857 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.569 4.374 -4.993 1.00 0.00 C ATOM 0 H TRP A 95 3.788 4.265 2.626 1.00 0.00 H new ATOM 0 HA TRP A 95 5.081 6.021 0.961 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.858 3.620 0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.171 3.829 0.181 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.605 5.141 -1.150 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.502 5.361 -3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.742 3.818 -1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.516 4.996 -5.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.800 3.775 -3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.104 4.338 -5.967 1.00 0.00 H new ATOM 1462 N LEU A 96 1.802 6.306 0.772 1.00 0.00 N ATOM 1463 CA LEU A 96 0.726 7.186 0.348 1.00 0.00 C ATOM 1464 C LEU A 96 0.952 8.580 0.935 1.00 0.00 C ATOM 1465 O LEU A 96 1.117 9.550 0.196 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.633 6.581 0.706 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.820 7.051 -0.138 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.444 7.122 -1.620 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.046 6.168 0.100 1.00 0.00 C ATOM 0 H LEU A 96 1.498 5.470 1.270 1.00 0.00 H new ATOM 0 HA LEU A 96 0.726 7.293 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.559 5.497 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.844 6.806 1.751 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.085 8.060 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.305 7.458 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.621 7.824 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.139 6.134 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.875 6.524 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.811 5.139 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.327 6.211 1.152 1.00 0.00 H new ATOM 1481 N ILE A 97 0.953 8.638 2.259 1.00 0.00 N ATOM 1482 CA ILE A 97 1.156 9.897 2.954 1.00 0.00 C ATOM 1483 C ILE A 97 2.281 10.677 2.269 1.00 0.00 C ATOM 1484 O ILE A 97 2.196 11.895 2.120 1.00 0.00 O ATOM 1485 CB ILE A 97 1.396 9.654 4.445 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.129 9.135 5.127 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.938 10.913 5.125 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.474 8.262 6.335 1.00 0.00 C ATOM 0 H ILE A 97 0.816 7.832 2.869 1.00 0.00 H new ATOM 0 HA ILE A 97 0.259 10.513 2.896 1.00 0.00 H new ATOM 0 HB ILE A 97 2.156 8.880 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.487 9.976 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.462 8.559 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.100 10.713 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.882 11.199 4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.219 11.724 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.445 7.906 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.069 7.409 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.044 8.848 7.056 1.00 0.00 H new ATOM 1500 N GLU A 98 3.309 9.942 1.870 1.00 0.00 N ATOM 1501 CA GLU A 98 4.449 10.549 1.205 1.00 0.00 C ATOM 1502 C GLU A 98 4.080 10.941 -0.228 1.00 0.00 C ATOM 1503 O GLU A 98 4.277 12.086 -0.632 1.00 0.00 O ATOM 1504 CB GLU A 98 5.657 9.611 1.223 1.00 0.00 C ATOM 1505 CG GLU A 98 6.041 9.239 2.656 1.00 0.00 C ATOM 1506 CD GLU A 98 7.200 8.240 2.672 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.123 7.269 1.887 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.136 8.469 3.468 1.00 0.00 O ATOM 0 H GLU A 98 3.376 8.932 1.995 1.00 0.00 H new ATOM 0 HA GLU A 98 4.724 11.453 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.429 8.707 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.502 10.091 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.323 10.137 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.179 8.810 3.167 1.00 0.00 H new ATOM 1515 N CYS A 99 3.553 9.968 -0.957 1.00 0.00 N ATOM 1516 CA CYS A 99 3.156 10.197 -2.335 1.00 0.00 C ATOM 1517 C CYS A 99 2.238 11.421 -2.374 1.00 0.00 C ATOM 1518 O CYS A 99 2.144 12.099 -3.396 1.00 0.00 O ATOM 1519 CB CYS A 99 2.487 8.963 -2.944 1.00 0.00 C ATOM 1520 SG CYS A 99 3.723 7.635 -3.183 1.00 0.00 S ATOM 0 H CYS A 99 3.392 9.019 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 99 4.040 10.387 -2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.687 8.613 -2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.029 9.221 -3.899 1.00 0.00 H new ATOM 0 HG CYS A 99 3.162 6.479 -2.984 1.00 0.00 H new ATOM 1526 N ILE A 100 1.585 11.667 -1.247 1.00 0.00 N ATOM 1527 CA ILE A 100 0.678 12.797 -1.139 1.00 0.00 C ATOM 1528 C ILE A 100 1.487 14.071 -0.885 1.00 0.00 C ATOM 1529 O ILE A 100 1.465 14.996 -1.695 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.392 12.526 -0.080 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.312 11.381 -0.511 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.176 13.799 0.245 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.237 10.962 0.633 1.00 0.00 C ATOM 0 H ILE A 100 1.666 11.103 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 100 0.137 12.943 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 100 0.106 12.211 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.907 11.691 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.713 10.528 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.930 13.579 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.494 14.560 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.663 14.167 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.880 10.147 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.639 10.629 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.852 11.810 0.933 1.00 0.00 H new ATOM 1545 N GLY A 101 2.180 14.078 0.244 1.00 0.00 N ATOM 1546 CA GLY A 101 2.993 15.223 0.616 1.00 0.00 C ATOM 1547 C GLY A 101 4.083 15.483 -0.427 1.00 0.00 C ATOM 1548 O GLY A 101 4.680 16.558 -0.451 1.00 0.00 O ATOM 0 H GLY A 101 2.195 13.309 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.361 16.106 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.451 15.048 1.590 1.00 0.00 H new ATOM 1552 N ALA A 102 4.310 14.480 -1.262 1.00 0.00 N ATOM 1553 CA ALA A 102 5.317 14.586 -2.303 1.00 0.00 C ATOM 1554 C ALA A 102 4.639 14.934 -3.629 1.00 0.00 C ATOM 1555 O ALA A 102 5.252 15.545 -4.503 1.00 0.00 O ATOM 1556 CB ALA A 102 6.112 13.281 -2.380 1.00 0.00 C ATOM 0 H ALA A 102 3.813 13.589 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 102 6.023 15.385 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.868 13.361 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.598 13.094 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.437 12.457 -2.611 1.00 0.00 H new ATOM 1562 N GLY A 103 3.381 14.530 -3.738 1.00 0.00 N ATOM 1563 CA GLY A 103 2.613 14.791 -4.943 1.00 0.00 C ATOM 1564 C GLY A 103 3.119 13.943 -6.112 1.00 0.00 C ATOM 1565 O GLY A 103 2.800 14.218 -7.267 1.00 0.00 O ATOM 0 H GLY A 103 2.875 14.024 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.560 14.574 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.681 15.848 -5.200 1.00 0.00 H new ATOM 1569 N LYS A 104 3.901 12.929 -5.770 1.00 0.00 N ATOM 1570 CA LYS A 104 4.455 12.039 -6.776 1.00 0.00 C ATOM 1571 C LYS A 104 4.751 10.680 -6.141 1.00 0.00 C ATOM 1572 O LYS A 104 4.794 10.558 -4.917 1.00 0.00 O ATOM 1573 CB LYS A 104 5.669 12.682 -7.450 1.00 0.00 C ATOM 1574 CG LYS A 104 6.946 12.407 -6.654 1.00 0.00 C ATOM 1575 CD LYS A 104 7.789 11.321 -7.326 1.00 0.00 C ATOM 1576 CE LYS A 104 9.075 11.060 -6.540 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.214 11.778 -7.155 1.00 0.00 N ATOM 0 H LYS A 104 4.164 12.704 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 104 3.732 11.867 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.776 12.293 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.514 13.758 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.529 13.324 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.688 12.097 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.210 10.400 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.036 11.625 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.949 11.384 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.282 9.990 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.079 11.590 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.344 11.450 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.021 12.800 -7.156 1.00 0.00 H new ATOM 1591 N PRO A 105 4.954 9.665 -7.023 1.00 0.00 N ATOM 1592 CA PRO A 105 5.246 8.318 -6.561 1.00 0.00 C ATOM 1593 C PRO A 105 6.686 8.212 -6.055 1.00 0.00 C ATOM 1594 O PRO A 105 7.581 7.813 -6.798 1.00 0.00 O ATOM 1595 CB PRO A 105 4.969 7.423 -7.757 1.00 0.00 C ATOM 1596 CG PRO A 105 4.982 8.336 -8.973 1.00 0.00 C ATOM 1597 CD PRO A 105 4.911 9.771 -8.478 1.00 0.00 C ATOM 0 HA PRO A 105 4.633 8.023 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.726 6.644 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.006 6.922 -7.655 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.887 8.179 -9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.137 8.115 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.745 10.362 -8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.996 10.260 -8.812 1.00 0.00 H new ATOM 1605 N VAL A 106 6.864 8.577 -4.793 1.00 0.00 N ATOM 1606 CA VAL A 106 8.180 8.528 -4.179 1.00 0.00 C ATOM 1607 C VAL A 106 8.821 7.168 -4.463 1.00 0.00 C ATOM 1608 O VAL A 106 8.130 6.217 -4.826 1.00 0.00 O ATOM 1609 CB VAL A 106 8.072 8.838 -2.685 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.601 10.275 -2.455 1.00 0.00 C ATOM 1611 CG2 VAL A 106 7.150 7.839 -1.983 1.00 0.00 C ATOM 0 H VAL A 106 6.119 8.908 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 106 8.831 9.290 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 106 9.066 8.739 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.533 10.469 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.313 10.968 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.621 10.414 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.091 8.082 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.154 7.891 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.547 6.831 -2.103 1.00 0.00 H new ATOM 1621 N GLU A 107 10.133 7.119 -4.288 1.00 0.00 N ATOM 1622 CA GLU A 107 10.874 5.891 -4.520 1.00 0.00 C ATOM 1623 C GLU A 107 10.424 4.806 -3.540 1.00 0.00 C ATOM 1624 O GLU A 107 9.956 5.109 -2.444 1.00 0.00 O ATOM 1625 CB GLU A 107 12.381 6.132 -4.417 1.00 0.00 C ATOM 1626 CG GLU A 107 12.847 6.078 -2.961 1.00 0.00 C ATOM 1627 CD GLU A 107 14.015 7.037 -2.723 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.856 7.146 -3.641 1.00 0.00 O ATOM 1629 OE2 GLU A 107 14.041 7.639 -1.627 1.00 0.00 O ATOM 0 H GLU A 107 10.702 7.910 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 107 10.663 5.548 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.914 5.381 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.628 7.103 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.019 6.337 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.150 5.061 -2.710 1.00 0.00 H new ATOM 1636 N MET A 108 10.581 3.562 -3.971 1.00 0.00 N ATOM 1637 CA MET A 108 10.197 2.430 -3.145 1.00 0.00 C ATOM 1638 C MET A 108 11.420 1.798 -2.478 1.00 0.00 C ATOM 1639 O MET A 108 11.698 0.616 -2.677 1.00 0.00 O ATOM 1640 CB MET A 108 9.489 1.385 -4.009 1.00 0.00 C ATOM 1641 CG MET A 108 7.979 1.633 -4.042 1.00 0.00 C ATOM 1642 SD MET A 108 7.179 0.396 -5.051 1.00 0.00 S ATOM 1643 CE MET A 108 7.135 1.254 -6.616 1.00 0.00 C ATOM 0 H MET A 108 10.969 3.314 -4.881 1.00 0.00 H new ATOM 0 HA MET A 108 9.524 2.785 -2.364 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.888 1.415 -5.023 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.689 0.388 -3.617 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.575 1.605 -3.030 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.774 2.627 -4.440 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.663 0.619 -7.366 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.564 2.176 -6.509 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.152 1.491 -6.929 1.00 0.00 H new ATOM 1653 N THR A 109 12.119 2.613 -1.701 1.00 0.00 N ATOM 1654 CA THR A 109 13.306 2.147 -1.004 1.00 0.00 C ATOM 1655 C THR A 109 13.099 0.720 -0.493 1.00 0.00 C ATOM 1656 O THR A 109 13.786 -0.203 -0.926 1.00 0.00 O ATOM 1657 CB THR A 109 13.625 3.150 0.106 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.402 3.272 0.827 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.881 4.559 -0.433 1.00 0.00 C ATOM 0 H THR A 109 11.886 3.593 -1.539 1.00 0.00 H new ATOM 0 HA THR A 109 14.165 2.097 -1.674 1.00 0.00 H new ATOM 0 HB THR A 109 14.499 2.809 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.470 4.015 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.103 5.231 0.396 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.728 4.538 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.995 4.913 -0.960 1.00 0.00 H new ATOM 1667 N GLY A 110 12.149 0.585 0.421 1.00 0.00 N ATOM 1668 CA GLY A 110 11.844 -0.714 0.996 1.00 0.00 C ATOM 1669 C GLY A 110 10.927 -0.573 2.212 1.00 0.00 C ATOM 1670 O GLY A 110 10.038 -1.397 2.423 1.00 0.00 O ATOM 0 H GLY A 110 11.581 1.353 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.366 -1.344 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.768 -1.212 1.289 1.00 0.00 H new ATOM 1674 N LYS A 111 11.175 0.476 2.982 1.00 0.00 N ATOM 1675 CA LYS A 111 10.382 0.736 4.172 1.00 0.00 C ATOM 1676 C LYS A 111 8.937 1.027 3.763 1.00 0.00 C ATOM 1677 O LYS A 111 8.040 1.038 4.606 1.00 0.00 O ATOM 1678 CB LYS A 111 11.021 1.846 5.009 1.00 0.00 C ATOM 1679 CG LYS A 111 11.033 3.171 4.245 1.00 0.00 C ATOM 1680 CD LYS A 111 12.422 3.813 4.282 1.00 0.00 C ATOM 1681 CE LYS A 111 12.325 5.335 4.170 1.00 0.00 C ATOM 1682 NZ LYS A 111 13.674 5.943 4.192 1.00 0.00 N ATOM 0 H LYS A 111 11.914 1.156 2.805 1.00 0.00 H new ATOM 0 HA LYS A 111 10.360 -0.144 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.471 1.965 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.040 1.566 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.734 3.001 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.302 3.852 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.926 3.544 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.029 3.423 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.813 5.606 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.729 5.729 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.590 6.977 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.150 5.700 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.231 5.580 3.392 1.00 0.00 H new ATOM 1696 N HIS A 112 8.756 1.257 2.471 1.00 0.00 N ATOM 1697 CA HIS A 112 7.434 1.548 1.941 1.00 0.00 C ATOM 1698 C HIS A 112 6.663 0.242 1.741 1.00 0.00 C ATOM 1699 O HIS A 112 5.442 0.209 1.892 1.00 0.00 O ATOM 1700 CB HIS A 112 7.534 2.380 0.661 1.00 0.00 C ATOM 1701 CG HIS A 112 8.228 3.709 0.845 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.768 4.425 -0.210 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.463 4.443 1.970 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.302 5.538 0.271 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.113 5.547 1.622 1.00 0.00 N ATOM 0 H HIS A 112 9.502 1.248 1.776 1.00 0.00 H new ATOM 0 HA HIS A 112 6.876 2.153 2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.069 1.804 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.530 2.556 0.275 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.757 4.144 -1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.170 4.172 2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.800 6.304 -0.305 1.00 0.00 H new ATOM 1713 N GLN A 113 7.406 -0.801 1.404 1.00 0.00 N ATOM 1714 CA GLN A 113 6.807 -2.106 1.181 1.00 0.00 C ATOM 1715 C GLN A 113 6.534 -2.800 2.517 1.00 0.00 C ATOM 1716 O GLN A 113 7.431 -2.925 3.350 1.00 0.00 O ATOM 1717 CB GLN A 113 7.696 -2.972 0.285 1.00 0.00 C ATOM 1718 CG GLN A 113 8.365 -2.128 -0.802 1.00 0.00 C ATOM 1719 CD GLN A 113 8.316 -2.840 -2.156 1.00 0.00 C ATOM 1720 OE1 GLN A 113 8.292 -4.056 -2.246 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.303 -2.016 -3.200 1.00 0.00 N ATOM 0 H GLN A 113 8.418 -0.769 1.280 1.00 0.00 H new ATOM 0 HA GLN A 113 5.857 -1.965 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.458 -3.464 0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.098 -3.758 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.865 -1.162 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.401 -1.931 -0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.325 -1.007 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.271 -2.393 -4.147 1.00 0.00 H new ATOM 1730 N LEU A 114 5.293 -3.233 2.680 1.00 0.00 N ATOM 1731 CA LEU A 114 4.891 -3.911 3.900 1.00 0.00 C ATOM 1732 C LEU A 114 6.011 -4.852 4.349 1.00 0.00 C ATOM 1733 O LEU A 114 6.531 -4.721 5.456 1.00 0.00 O ATOM 1734 CB LEU A 114 3.543 -4.608 3.707 1.00 0.00 C ATOM 1735 CG LEU A 114 2.361 -3.699 3.365 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.459 -2.368 4.113 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.241 -3.500 1.853 1.00 0.00 C ATOM 0 H LEU A 114 4.552 -3.127 1.987 1.00 0.00 H new ATOM 0 HA LEU A 114 4.739 -3.190 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.649 -5.347 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.304 -5.153 4.620 1.00 0.00 H new ATOM 0 HG LEU A 114 1.446 -4.189 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.607 -1.740 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.458 -2.553 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.382 -1.861 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.393 -2.850 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.154 -3.043 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.090 -4.465 1.370 1.00 0.00 H new