USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=20 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 61 THR OG1 : rot 29:sc= -2.35! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -8.48! C(o=-11!,f=-11!) USER MOD Set 2.1: A 42 MET CE :methyl 179:sc= -2.61! (180deg=-2.73!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.0662 K(o=-2.7,f=-3.5) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -145:sc= 0.568 (180deg=-0.422) USER MOD Set 3.2: A 68 ASN : amide:sc= -0.712 K(o=-0.14,f=-17!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -176:sc= -0.121 (180deg=-0.126) 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 48 LYS NZ :NH3+ -113:sc= 0.987 (180deg=-1.51!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.37) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.28) USER MOD Single : A 80 GLN :FLIP amide:sc= -2.52 F(o=-3.6,f=-2.5) 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=-0.00587 X(o=-0.0059,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00534 USER MOD Single : A 99 CYS SG : rot 136:sc= -5.11! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 148:sc= -0.0028 (180deg=-0.817) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -4.78! C(o=-4.8!,f=-7.5!) USER MOD Single : A 113 GLN :FLIP amide:sc= -1.78 F(o=-2.5,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 0.109 4.410 -12.271 1.00 0.00 N ATOM 299 CA LEU A 24 0.337 4.605 -10.850 1.00 0.00 C ATOM 300 C LEU A 24 -0.987 4.450 -10.099 1.00 0.00 C ATOM 301 O LEU A 24 -1.373 5.326 -9.327 1.00 0.00 O ATOM 302 CB LEU A 24 1.034 5.944 -10.598 1.00 0.00 C ATOM 303 CG LEU A 24 2.177 5.925 -9.582 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.672 5.521 -8.195 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.320 5.027 -10.059 1.00 0.00 C ATOM 0 HA LEU A 24 1.013 3.842 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.424 6.312 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.287 6.662 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 24 2.575 6.936 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.505 5.515 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.919 6.234 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.232 4.525 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.120 5.031 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.953 4.009 -10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.703 5.400 -11.009 1.00 0.00 H new ATOM 317 N VAL A 25 -1.646 3.329 -10.352 1.00 0.00 N ATOM 318 CA VAL A 25 -2.918 3.047 -9.710 1.00 0.00 C ATOM 319 C VAL A 25 -2.673 2.651 -8.253 1.00 0.00 C ATOM 320 O VAL A 25 -2.101 1.596 -7.980 1.00 0.00 O ATOM 321 CB VAL A 25 -3.678 1.980 -10.500 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.129 1.877 -10.026 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.611 2.258 -12.003 1.00 0.00 C ATOM 0 H VAL A 25 -1.322 2.605 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.547 3.937 -9.703 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.196 1.020 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.647 1.111 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.149 1.610 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.627 2.836 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.159 1.485 -12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.056 3.231 -12.213 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.570 2.257 -12.327 1.00 0.00 H new ATOM 333 N VAL A 26 -3.117 3.518 -7.354 1.00 0.00 N ATOM 334 CA VAL A 26 -2.952 3.271 -5.932 1.00 0.00 C ATOM 335 C VAL A 26 -4.273 2.760 -5.351 1.00 0.00 C ATOM 336 O VAL A 26 -5.298 3.433 -5.447 1.00 0.00 O ATOM 337 CB VAL A 26 -2.443 4.536 -5.237 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.395 4.346 -3.720 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.074 4.948 -5.782 1.00 0.00 C ATOM 0 H VAL A 26 -3.591 4.392 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.202 2.499 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.145 5.342 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.030 5.259 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.395 4.122 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.725 3.521 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.735 5.849 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.358 4.144 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.152 5.144 -6.851 1.00 0.00 H new ATOM 349 N PHE A 27 -4.204 1.575 -4.763 1.00 0.00 N ATOM 350 CA PHE A 27 -5.381 0.967 -4.167 1.00 0.00 C ATOM 351 C PHE A 27 -5.205 0.797 -2.656 1.00 0.00 C ATOM 352 O PHE A 27 -4.390 -0.007 -2.209 1.00 0.00 O ATOM 353 CB PHE A 27 -5.544 -0.413 -4.807 1.00 0.00 C ATOM 354 CG PHE A 27 -6.683 -1.244 -4.213 1.00 0.00 C ATOM 355 CD1 PHE A 27 -7.951 -1.091 -4.680 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.427 -2.137 -3.219 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.009 -1.862 -4.129 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.485 -2.908 -2.669 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.753 -2.755 -3.135 1.00 0.00 C ATOM 0 H PHE A 27 -3.352 1.020 -4.687 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.252 1.600 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.718 -0.288 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.610 -0.965 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.154 -0.383 -5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.420 -2.259 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.016 -1.739 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.282 -3.617 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.557 -3.342 -2.716 1.00 0.00 H new ATOM 369 N ILE A 28 -5.984 1.568 -1.912 1.00 0.00 N ATOM 370 CA ILE A 28 -5.925 1.514 -0.461 1.00 0.00 C ATOM 371 C ILE A 28 -6.795 0.358 0.037 1.00 0.00 C ATOM 372 O ILE A 28 -7.888 0.132 -0.478 1.00 0.00 O ATOM 373 CB ILE A 28 -6.300 2.869 0.142 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.163 3.879 -0.031 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.717 2.721 1.606 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.707 5.307 -0.116 1.00 0.00 C ATOM 0 H ILE A 28 -6.660 2.234 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.906 1.314 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.162 3.258 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.470 3.799 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.599 3.646 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.978 3.699 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.580 2.058 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.891 2.301 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.879 6.005 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.381 5.390 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.249 5.545 0.799 1.00 0.00 H new ATOM 388 N LEU A 29 -6.276 -0.344 1.034 1.00 0.00 N ATOM 389 CA LEU A 29 -6.991 -1.471 1.608 1.00 0.00 C ATOM 390 C LEU A 29 -7.803 -0.994 2.814 1.00 0.00 C ATOM 391 O LEU A 29 -7.253 -0.404 3.743 1.00 0.00 O ATOM 392 CB LEU A 29 -6.023 -2.612 1.930 1.00 0.00 C ATOM 393 CG LEU A 29 -6.665 -3.952 2.296 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.217 -4.653 1.053 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.682 -4.838 3.064 1.00 0.00 C ATOM 0 H LEU A 29 -5.368 -0.154 1.459 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.700 -1.879 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.374 -2.766 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.386 -2.299 2.757 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.509 -3.758 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.668 -5.603 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.971 -4.021 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.406 -4.835 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.163 -5.784 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.804 -5.028 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.378 -4.334 3.981 1.00 0.00 H new ATOM 407 N GLU A 30 -9.098 -1.267 2.760 1.00 0.00 N ATOM 408 CA GLU A 30 -9.991 -0.873 3.837 1.00 0.00 C ATOM 409 C GLU A 30 -9.542 -1.504 5.156 1.00 0.00 C ATOM 410 O GLU A 30 -9.434 -0.818 6.171 1.00 0.00 O ATOM 411 CB GLU A 30 -11.439 -1.248 3.513 1.00 0.00 C ATOM 412 CG GLU A 30 -12.363 -0.934 4.691 1.00 0.00 C ATOM 413 CD GLU A 30 -13.679 -1.705 4.577 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.620 -2.861 4.104 1.00 0.00 O ATOM 415 OE2 GLU A 30 -14.714 -1.122 4.965 1.00 0.00 O ATOM 0 H GLU A 30 -9.551 -1.756 1.988 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.946 0.211 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.771 -0.702 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.498 -2.309 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.866 -1.192 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.566 0.136 4.723 1.00 0.00 H new ATOM 422 N LYS A 31 -9.294 -2.804 5.099 1.00 0.00 N ATOM 423 CA LYS A 31 -8.860 -3.536 6.277 1.00 0.00 C ATOM 424 C LYS A 31 -7.874 -2.677 7.071 1.00 0.00 C ATOM 425 O LYS A 31 -6.937 -2.116 6.504 1.00 0.00 O ATOM 426 CB LYS A 31 -8.303 -4.905 5.883 1.00 0.00 C ATOM 427 CG LYS A 31 -9.327 -5.700 5.069 1.00 0.00 C ATOM 428 CD LYS A 31 -9.193 -7.200 5.335 1.00 0.00 C ATOM 429 CE LYS A 31 -7.929 -7.762 4.683 1.00 0.00 C ATOM 430 NZ LYS A 31 -7.446 -8.948 5.425 1.00 0.00 N ATOM 0 H LYS A 31 -9.385 -3.370 4.255 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.707 -3.739 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.391 -4.777 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.033 -5.463 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.334 -5.370 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.186 -5.501 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.163 -7.381 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.069 -7.721 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.137 -8.033 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.152 -6.997 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.587 -9.317 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.229 -8.679 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.182 -9.683 5.422 1.00 0.00 H new ATOM 444 N LYS A 32 -8.118 -2.600 8.371 1.00 0.00 N ATOM 445 CA LYS A 32 -7.263 -1.818 9.248 1.00 0.00 C ATOM 446 C LYS A 32 -7.312 -0.349 8.825 1.00 0.00 C ATOM 447 O LYS A 32 -6.273 0.276 8.619 1.00 0.00 O ATOM 448 CB LYS A 32 -5.849 -2.403 9.278 1.00 0.00 C ATOM 449 CG LYS A 32 -5.746 -3.536 10.301 1.00 0.00 C ATOM 450 CD LYS A 32 -4.334 -4.124 10.328 1.00 0.00 C ATOM 451 CE LYS A 32 -4.377 -5.648 10.452 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.951 -6.252 9.229 1.00 0.00 N ATOM 0 H LYS A 32 -8.896 -3.066 8.838 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.625 -1.866 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.585 -2.776 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.133 -1.619 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.007 -3.162 11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.465 -4.318 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.802 -3.844 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.777 -3.703 11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.371 -6.034 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.974 -5.931 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.507 -7.092 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.567 -5.560 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.183 -6.529 8.585 1.00 0.00 H new ATOM 466 N MET A 33 -8.530 0.160 8.708 1.00 0.00 N ATOM 467 CA MET A 33 -8.728 1.544 8.312 1.00 0.00 C ATOM 468 C MET A 33 -10.215 1.904 8.304 1.00 0.00 C ATOM 469 O MET A 33 -10.676 2.675 9.144 1.00 0.00 O ATOM 470 CB MET A 33 -8.141 1.766 6.917 1.00 0.00 C ATOM 471 CG MET A 33 -7.579 3.182 6.778 1.00 0.00 C ATOM 472 SD MET A 33 -5.801 3.121 6.629 1.00 0.00 S ATOM 473 CE MET A 33 -5.650 2.685 4.904 1.00 0.00 C ATOM 0 H MET A 33 -9.390 -0.361 8.881 1.00 0.00 H new ATOM 0 HA MET A 33 -8.222 2.185 9.034 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.352 1.038 6.730 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.911 1.601 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.009 3.669 5.903 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.859 3.780 7.645 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.599 2.535 4.657 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.203 1.766 4.711 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.056 3.488 4.289 1.00 0.00 H new ATOM 483 N GLY A 34 -10.925 1.328 7.344 1.00 0.00 N ATOM 484 CA GLY A 34 -12.351 1.579 7.215 1.00 0.00 C ATOM 485 C GLY A 34 -12.670 2.255 5.881 1.00 0.00 C ATOM 486 O GLY A 34 -11.871 2.201 4.946 1.00 0.00 O ATOM 0 H GLY A 34 -10.540 0.689 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.898 0.639 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.689 2.211 8.037 1.00 0.00 H new ATOM 490 N THR A 35 -13.839 2.877 5.833 1.00 0.00 N ATOM 491 CA THR A 35 -14.273 3.563 4.628 1.00 0.00 C ATOM 492 C THR A 35 -13.809 5.021 4.648 1.00 0.00 C ATOM 493 O THR A 35 -13.158 5.481 3.711 1.00 0.00 O ATOM 494 CB THR A 35 -15.792 3.411 4.519 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.980 2.035 4.200 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.370 4.156 3.314 1.00 0.00 C ATOM 0 H THR A 35 -14.499 2.920 6.609 1.00 0.00 H new ATOM 0 HA THR A 35 -13.822 3.123 3.738 1.00 0.00 H new ATOM 0 HB THR A 35 -16.261 3.779 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.938 1.847 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.450 4.015 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.145 5.219 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.927 3.765 2.398 1.00 0.00 H new ATOM 504 N THR A 36 -14.161 5.707 5.725 1.00 0.00 N ATOM 505 CA THR A 36 -13.789 7.103 5.879 1.00 0.00 C ATOM 506 C THR A 36 -12.332 7.315 5.461 1.00 0.00 C ATOM 507 O THR A 36 -12.061 7.931 4.432 1.00 0.00 O ATOM 508 CB THR A 36 -14.072 7.511 7.326 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.492 7.610 7.387 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.586 8.927 7.640 1.00 0.00 C ATOM 0 H THR A 36 -14.700 5.322 6.500 1.00 0.00 H new ATOM 0 HA THR A 36 -14.379 7.745 5.225 1.00 0.00 H new ATOM 0 HB THR A 36 -13.593 6.804 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.763 7.869 8.292 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.811 9.167 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.510 8.986 7.479 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.090 9.638 6.986 1.00 0.00 H new ATOM 518 N ARG A 37 -11.433 6.792 6.282 1.00 0.00 N ATOM 519 CA ARG A 37 -10.011 6.917 6.010 1.00 0.00 C ATOM 520 C ARG A 37 -9.695 6.423 4.597 1.00 0.00 C ATOM 521 O ARG A 37 -9.152 7.168 3.782 1.00 0.00 O ATOM 522 CB ARG A 37 -9.186 6.116 7.020 1.00 0.00 C ATOM 523 CG ARG A 37 -8.609 7.029 8.104 1.00 0.00 C ATOM 524 CD ARG A 37 -7.146 6.686 8.389 1.00 0.00 C ATOM 525 NE ARG A 37 -6.611 7.582 9.439 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.331 8.878 9.250 1.00 0.00 C ATOM 527 NH1 ARG A 37 -6.533 9.439 8.049 1.00 0.00 N ATOM 528 NH2 ARG A 37 -5.849 9.614 10.260 1.00 0.00 N ATOM 0 H ARG A 37 -11.661 6.281 7.135 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.748 7.971 6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.811 5.350 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.376 5.600 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.687 8.069 7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.194 6.929 9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.063 5.647 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.556 6.787 7.478 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.445 7.187 10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.900 8.879 7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.320 10.426 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.695 9.187 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.636 10.601 10.115 1.00 0.00 H new ATOM 542 N ARG A 38 -10.048 5.170 4.350 1.00 0.00 N ATOM 543 CA ARG A 38 -9.808 4.568 3.049 1.00 0.00 C ATOM 544 C ARG A 38 -10.167 5.553 1.935 1.00 0.00 C ATOM 545 O ARG A 38 -9.317 5.910 1.120 1.00 0.00 O ATOM 546 CB ARG A 38 -10.630 3.289 2.875 1.00 0.00 C ATOM 547 CG ARG A 38 -10.614 2.822 1.418 1.00 0.00 C ATOM 548 CD ARG A 38 -11.068 1.365 1.304 1.00 0.00 C ATOM 549 NE ARG A 38 -11.516 1.081 -0.077 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.771 1.261 -0.512 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.709 1.726 0.324 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.087 0.977 -1.782 1.00 0.00 N ATOM 0 H ARG A 38 -10.498 4.555 5.028 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.749 4.317 2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.229 2.504 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.657 3.467 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.268 3.458 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.609 2.926 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.249 0.698 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.880 1.173 2.005 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.827 0.726 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.468 1.943 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.664 1.863 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.373 0.624 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.042 1.114 -2.113 1.00 0.00 H new ATOM 566 N ALA A 39 -11.427 5.963 1.934 1.00 0.00 N ATOM 567 CA ALA A 39 -11.908 6.899 0.932 1.00 0.00 C ATOM 568 C ALA A 39 -11.090 8.190 1.012 1.00 0.00 C ATOM 569 O ALA A 39 -10.578 8.667 0.001 1.00 0.00 O ATOM 570 CB ALA A 39 -13.405 7.143 1.139 1.00 0.00 C ATOM 0 H ALA A 39 -12.129 5.664 2.611 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.780 6.489 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.767 7.845 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.944 6.200 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.572 7.558 2.133 1.00 0.00 H new ATOM 576 N LEU A 40 -10.993 8.717 2.223 1.00 0.00 N ATOM 577 CA LEU A 40 -10.246 9.943 2.448 1.00 0.00 C ATOM 578 C LEU A 40 -8.909 9.863 1.708 1.00 0.00 C ATOM 579 O LEU A 40 -8.722 10.519 0.684 1.00 0.00 O ATOM 580 CB LEU A 40 -10.105 10.217 3.946 1.00 0.00 C ATOM 581 CG LEU A 40 -9.498 11.570 4.326 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.664 12.583 3.192 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.084 12.083 5.643 1.00 0.00 C ATOM 0 H LEU A 40 -11.419 8.318 3.059 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.785 10.798 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.092 10.142 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.491 9.430 4.383 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.428 11.433 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.224 13.536 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.162 12.214 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.724 12.723 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.636 13.045 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.163 12.201 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.871 11.369 6.439 1.00 0.00 H new ATOM 595 N LEU A 41 -8.014 9.055 2.256 1.00 0.00 N ATOM 596 CA LEU A 41 -6.700 8.881 1.661 1.00 0.00 C ATOM 597 C LEU A 41 -6.849 8.707 0.148 1.00 0.00 C ATOM 598 O LEU A 41 -6.230 9.434 -0.628 1.00 0.00 O ATOM 599 CB LEU A 41 -5.951 7.734 2.341 1.00 0.00 C ATOM 600 CG LEU A 41 -5.300 8.062 3.687 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.395 9.290 3.573 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.357 8.227 4.781 1.00 0.00 C ATOM 0 H LEU A 41 -8.173 8.513 3.106 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.089 9.769 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.647 6.909 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.176 7.380 1.662 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.668 7.222 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.945 9.502 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.609 9.096 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.985 10.148 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.868 8.460 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.034 9.038 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.923 7.301 4.883 1.00 0.00 H new ATOM 614 N MET A 42 -7.672 7.739 -0.226 1.00 0.00 N ATOM 615 CA MET A 42 -7.910 7.460 -1.632 1.00 0.00 C ATOM 616 C MET A 42 -8.290 8.735 -2.387 1.00 0.00 C ATOM 617 O MET A 42 -7.903 8.916 -3.541 1.00 0.00 O ATOM 618 CB MET A 42 -9.037 6.433 -1.765 1.00 0.00 C ATOM 619 CG MET A 42 -8.542 5.028 -1.414 1.00 0.00 C ATOM 620 SD MET A 42 -9.919 3.893 -1.357 1.00 0.00 S ATOM 621 CE MET A 42 -11.083 4.766 -2.390 1.00 0.00 C ATOM 0 H MET A 42 -8.183 7.138 0.420 1.00 0.00 H new ATOM 0 HA MET A 42 -6.992 7.063 -2.065 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.863 6.706 -1.108 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.424 6.442 -2.784 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.815 4.694 -2.154 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.032 5.043 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.000 4.184 -2.477 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.309 5.735 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.652 4.913 -3.380 1.00 0.00 H new ATOM 631 N GLU A 43 -9.042 9.587 -1.706 1.00 0.00 N ATOM 632 CA GLU A 43 -9.478 10.840 -2.298 1.00 0.00 C ATOM 633 C GLU A 43 -8.336 11.858 -2.286 1.00 0.00 C ATOM 634 O GLU A 43 -8.202 12.657 -3.212 1.00 0.00 O ATOM 635 CB GLU A 43 -10.710 11.389 -1.575 1.00 0.00 C ATOM 636 CG GLU A 43 -10.751 12.917 -1.646 1.00 0.00 C ATOM 637 CD GLU A 43 -12.140 13.445 -1.280 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.430 13.485 -0.064 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.880 13.797 -2.223 1.00 0.00 O ATOM 0 H GLU A 43 -9.361 9.434 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.760 10.651 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.614 10.976 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.697 11.070 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.008 13.336 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.486 13.245 -2.651 1.00 0.00 H new ATOM 646 N LEU A 44 -7.542 11.797 -1.227 1.00 0.00 N ATOM 647 CA LEU A 44 -6.416 12.704 -1.083 1.00 0.00 C ATOM 648 C LEU A 44 -5.421 12.460 -2.219 1.00 0.00 C ATOM 649 O LEU A 44 -4.934 13.406 -2.836 1.00 0.00 O ATOM 650 CB LEU A 44 -5.801 12.576 0.312 1.00 0.00 C ATOM 651 CG LEU A 44 -6.686 13.018 1.479 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.865 13.747 2.544 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.863 13.861 0.985 1.00 0.00 C ATOM 0 H LEU A 44 -7.656 11.134 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.747 13.739 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.520 11.535 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.882 13.161 0.337 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.103 12.127 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.518 14.050 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.091 13.081 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.400 14.630 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.476 14.162 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.487 14.748 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.466 13.274 0.292 1.00 0.00 H new ATOM 665 N ALA A 45 -5.149 11.186 -2.461 1.00 0.00 N ATOM 666 CA ALA A 45 -4.221 10.805 -3.512 1.00 0.00 C ATOM 667 C ALA A 45 -4.725 11.346 -4.852 1.00 0.00 C ATOM 668 O ALA A 45 -3.978 11.992 -5.585 1.00 0.00 O ATOM 669 CB ALA A 45 -4.057 9.284 -3.522 1.00 0.00 C ATOM 0 H ALA A 45 -5.555 10.404 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.237 11.238 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.361 8.998 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.669 8.954 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.024 8.815 -3.704 1.00 0.00 H new ATOM 675 N ARG A 46 -5.989 11.062 -5.131 1.00 0.00 N ATOM 676 CA ARG A 46 -6.601 11.512 -6.370 1.00 0.00 C ATOM 677 C ARG A 46 -6.350 13.007 -6.573 1.00 0.00 C ATOM 678 O ARG A 46 -6.040 13.443 -7.681 1.00 0.00 O ATOM 679 CB ARG A 46 -8.109 11.251 -6.365 1.00 0.00 C ATOM 680 CG ARG A 46 -8.421 9.833 -6.847 1.00 0.00 C ATOM 681 CD ARG A 46 -9.930 9.623 -6.993 1.00 0.00 C ATOM 682 NE ARG A 46 -10.368 10.028 -8.348 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.638 10.300 -8.676 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.603 10.212 -7.751 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.943 10.659 -9.931 1.00 0.00 N ATOM 0 H ARG A 46 -6.606 10.526 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.149 10.950 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.503 11.392 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.609 11.976 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.931 9.654 -7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.016 9.108 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.178 8.576 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.461 10.206 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.659 10.105 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.371 9.938 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.570 10.419 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.208 10.725 -10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.910 10.866 -10.181 1.00 0.00 H new ATOM 699 N ARG A 47 -6.493 13.752 -5.487 1.00 0.00 N ATOM 700 CA ARG A 47 -6.285 15.189 -5.533 1.00 0.00 C ATOM 701 C ARG A 47 -4.867 15.506 -6.012 1.00 0.00 C ATOM 702 O ARG A 47 -4.582 16.632 -6.417 1.00 0.00 O ATOM 703 CB ARG A 47 -6.505 15.822 -4.157 1.00 0.00 C ATOM 704 CG ARG A 47 -7.982 15.774 -3.761 1.00 0.00 C ATOM 705 CD ARG A 47 -8.175 16.218 -2.310 1.00 0.00 C ATOM 706 NE ARG A 47 -9.078 17.390 -2.256 1.00 0.00 N ATOM 707 CZ ARG A 47 -8.683 18.653 -2.465 1.00 0.00 C ATOM 708 NH1 ARG A 47 -7.399 18.916 -2.744 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.572 19.653 -2.396 1.00 0.00 N ATOM 0 H ARG A 47 -6.750 13.387 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.010 15.606 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.908 15.297 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.162 16.856 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.561 16.419 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.364 14.761 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.592 15.400 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.212 16.470 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.063 17.226 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.722 18.155 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.098 19.878 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.549 19.453 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.271 20.615 -2.555 1.00 0.00 H new ATOM 723 N LYS A 48 -4.016 14.493 -5.949 1.00 0.00 N ATOM 724 CA LYS A 48 -2.634 14.649 -6.371 1.00 0.00 C ATOM 725 C LYS A 48 -2.507 14.249 -7.842 1.00 0.00 C ATOM 726 O LYS A 48 -1.451 14.427 -8.448 1.00 0.00 O ATOM 727 CB LYS A 48 -1.699 13.875 -5.440 1.00 0.00 C ATOM 728 CG LYS A 48 -1.791 14.403 -4.007 1.00 0.00 C ATOM 729 CD LYS A 48 -1.304 15.851 -3.924 1.00 0.00 C ATOM 730 CE LYS A 48 -0.742 16.161 -2.535 1.00 0.00 C ATOM 731 NZ LYS A 48 0.452 17.029 -2.641 1.00 0.00 N ATOM 0 H LYS A 48 -4.256 13.561 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.328 15.692 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.957 12.816 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.673 13.960 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.822 14.342 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.193 13.776 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.536 16.024 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.128 16.529 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.504 16.652 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.480 15.233 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.294 16.501 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.574 17.332 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.328 17.865 -2.035 1.00 0.00 H new ATOM 745 N GLY A 49 -3.597 13.716 -8.374 1.00 0.00 N ATOM 746 CA GLY A 49 -3.620 13.289 -9.763 1.00 0.00 C ATOM 747 C GLY A 49 -3.478 11.770 -9.872 1.00 0.00 C ATOM 748 O GLY A 49 -3.589 11.209 -10.962 1.00 0.00 O ATOM 0 H GLY A 49 -4.471 13.570 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.553 13.605 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.811 13.774 -10.310 1.00 0.00 H new ATOM 752 N PHE A 50 -3.235 11.146 -8.729 1.00 0.00 N ATOM 753 CA PHE A 50 -3.077 9.703 -8.682 1.00 0.00 C ATOM 754 C PHE A 50 -4.386 8.996 -9.039 1.00 0.00 C ATOM 755 O PHE A 50 -5.459 9.411 -8.605 1.00 0.00 O ATOM 756 CB PHE A 50 -2.691 9.341 -7.246 1.00 0.00 C ATOM 757 CG PHE A 50 -1.185 9.378 -6.979 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.342 8.622 -7.731 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.690 10.167 -5.988 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.056 8.656 -7.483 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.708 10.201 -5.739 1.00 0.00 C ATOM 762 CZ PHE A 50 1.551 9.444 -6.492 1.00 0.00 C ATOM 0 H PHE A 50 -3.144 11.614 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.318 9.389 -9.399 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.188 10.029 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.065 8.342 -7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.736 7.995 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.360 10.768 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.726 8.056 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.102 10.828 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.614 9.469 -6.302 1.00 0.00 H new ATOM 772 N ARG A 51 -4.254 7.939 -9.828 1.00 0.00 N ATOM 773 CA ARG A 51 -5.414 7.171 -10.249 1.00 0.00 C ATOM 774 C ARG A 51 -5.767 6.122 -9.192 1.00 0.00 C ATOM 775 O ARG A 51 -5.395 4.956 -9.321 1.00 0.00 O ATOM 776 CB ARG A 51 -5.156 6.472 -11.585 1.00 0.00 C ATOM 777 CG ARG A 51 -6.423 5.786 -12.099 1.00 0.00 C ATOM 778 CD ARG A 51 -6.127 4.948 -13.344 1.00 0.00 C ATOM 779 NE ARG A 51 -7.019 5.356 -14.453 1.00 0.00 N ATOM 780 CZ ARG A 51 -7.296 4.588 -15.515 1.00 0.00 C ATOM 781 NH1 ARG A 51 -6.752 3.368 -15.620 1.00 0.00 N ATOM 782 NH2 ARG A 51 -8.116 5.041 -16.473 1.00 0.00 N ATOM 0 H ARG A 51 -3.362 7.597 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.246 7.865 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.809 7.199 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.362 5.735 -11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.838 5.149 -11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.178 6.537 -12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.085 5.075 -13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.269 3.890 -13.123 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.449 6.279 -14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.127 3.024 -14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.963 2.783 -16.429 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.529 5.970 -16.393 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.327 4.457 -17.282 1.00 0.00 H new ATOM 796 N VAL A 52 -6.480 6.573 -8.171 1.00 0.00 N ATOM 797 CA VAL A 52 -6.887 5.688 -7.093 1.00 0.00 C ATOM 798 C VAL A 52 -8.107 4.879 -7.537 1.00 0.00 C ATOM 799 O VAL A 52 -8.935 5.367 -8.305 1.00 0.00 O ATOM 800 CB VAL A 52 -7.138 6.496 -5.819 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.433 5.574 -4.634 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.957 7.420 -5.514 1.00 0.00 C ATOM 0 H VAL A 52 -6.787 7.540 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.093 4.979 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.017 7.119 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.608 6.174 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.319 4.977 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.582 4.913 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.161 7.983 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.055 6.824 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.813 8.112 -6.344 1.00 0.00 H new ATOM 812 N GLU A 53 -8.180 3.654 -7.036 1.00 0.00 N ATOM 813 CA GLU A 53 -9.285 2.773 -7.371 1.00 0.00 C ATOM 814 C GLU A 53 -9.961 2.261 -6.098 1.00 0.00 C ATOM 815 O GLU A 53 -9.305 1.688 -5.229 1.00 0.00 O ATOM 816 CB GLU A 53 -8.812 1.610 -8.246 1.00 0.00 C ATOM 817 CG GLU A 53 -8.130 2.121 -9.516 1.00 0.00 C ATOM 818 CD GLU A 53 -9.163 2.577 -10.548 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.045 3.371 -10.156 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.048 2.120 -11.706 1.00 0.00 O ATOM 0 H GLU A 53 -7.491 3.251 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.017 3.342 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.119 0.985 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.662 0.982 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.467 2.950 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.509 1.333 -9.942 1.00 0.00 H new ATOM 827 N ASN A 54 -11.265 2.487 -6.027 1.00 0.00 N ATOM 828 CA ASN A 54 -12.037 2.056 -4.874 1.00 0.00 C ATOM 829 C ASN A 54 -11.971 0.531 -4.762 1.00 0.00 C ATOM 830 O ASN A 54 -11.803 -0.008 -3.669 1.00 0.00 O ATOM 831 CB ASN A 54 -13.507 2.456 -5.014 1.00 0.00 C ATOM 832 CG ASN A 54 -13.639 3.931 -5.400 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.577 4.304 -6.560 1.00 0.00 O ATOM 834 ND2 ASN A 54 -13.824 4.746 -4.365 1.00 0.00 N ATOM 0 H ASN A 54 -11.806 2.963 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.616 2.534 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.986 1.834 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.028 2.274 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.924 5.750 -4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.866 4.367 -3.419 1.00 0.00 H new ATOM 841 N GLU A 55 -12.107 -0.121 -5.907 1.00 0.00 N ATOM 842 CA GLU A 55 -12.065 -1.572 -5.952 1.00 0.00 C ATOM 843 C GLU A 55 -10.846 -2.044 -6.747 1.00 0.00 C ATOM 844 O GLU A 55 -10.416 -1.376 -7.686 1.00 0.00 O ATOM 845 CB GLU A 55 -13.358 -2.141 -6.542 1.00 0.00 C ATOM 846 CG GLU A 55 -14.547 -1.873 -5.617 1.00 0.00 C ATOM 847 CD GLU A 55 -15.446 -0.772 -6.184 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.960 -0.981 -7.304 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.597 0.253 -5.485 1.00 0.00 O ATOM 0 H GLU A 55 -12.246 0.330 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.975 -1.944 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.544 -1.694 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.249 -3.214 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.125 -2.788 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.186 -1.581 -4.631 1.00 0.00 H new ATOM 856 N LEU A 56 -10.323 -3.192 -6.341 1.00 0.00 N ATOM 857 CA LEU A 56 -9.161 -3.760 -7.004 1.00 0.00 C ATOM 858 C LEU A 56 -9.476 -3.968 -8.487 1.00 0.00 C ATOM 859 O LEU A 56 -10.638 -4.112 -8.864 1.00 0.00 O ATOM 860 CB LEU A 56 -8.706 -5.033 -6.288 1.00 0.00 C ATOM 861 CG LEU A 56 -7.663 -5.879 -7.022 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.268 -5.267 -6.888 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.700 -7.332 -6.542 1.00 0.00 C ATOM 0 H LEU A 56 -10.682 -3.744 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.317 -3.072 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.300 -4.754 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.582 -5.654 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.912 -5.883 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.546 -5.888 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.268 -4.264 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.994 -5.212 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.949 -7.912 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.490 -7.368 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.688 -7.753 -6.732 1.00 0.00 H new ATOM 875 N SER A 57 -8.421 -3.978 -9.287 1.00 0.00 N ATOM 876 CA SER A 57 -8.570 -4.166 -10.720 1.00 0.00 C ATOM 877 C SER A 57 -7.227 -4.554 -11.340 1.00 0.00 C ATOM 878 O SER A 57 -6.217 -4.635 -10.642 1.00 0.00 O ATOM 879 CB SER A 57 -9.118 -2.902 -11.387 1.00 0.00 C ATOM 880 OG SER A 57 -10.055 -3.205 -12.417 1.00 0.00 O ATOM 0 H SER A 57 -7.459 -3.859 -8.970 1.00 0.00 H new ATOM 0 HA SER A 57 -9.285 -4.972 -10.887 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.596 -2.274 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.293 -2.326 -11.806 1.00 0.00 H new ATOM 0 HG SER A 57 -10.383 -2.372 -12.817 1.00 0.00 H new ATOM 886 N ASP A 58 -7.257 -4.783 -12.645 1.00 0.00 N ATOM 887 CA ASP A 58 -6.054 -5.160 -13.367 1.00 0.00 C ATOM 888 C ASP A 58 -5.201 -3.914 -13.615 1.00 0.00 C ATOM 889 O ASP A 58 -4.132 -3.999 -14.217 1.00 0.00 O ATOM 890 CB ASP A 58 -6.397 -5.777 -14.724 1.00 0.00 C ATOM 891 CG ASP A 58 -6.619 -4.770 -15.855 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.568 -3.968 -15.721 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.835 -4.826 -16.826 1.00 0.00 O ATOM 0 H ASP A 58 -8.096 -4.715 -13.221 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.514 -5.891 -12.765 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.592 -6.453 -15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.297 -6.382 -14.614 1.00 0.00 H new ATOM 898 N SER A 59 -5.707 -2.786 -13.139 1.00 0.00 N ATOM 899 CA SER A 59 -5.005 -1.524 -13.303 1.00 0.00 C ATOM 900 C SER A 59 -4.232 -1.187 -12.026 1.00 0.00 C ATOM 901 O SER A 59 -3.348 -0.331 -12.040 1.00 0.00 O ATOM 902 CB SER A 59 -5.977 -0.394 -13.648 1.00 0.00 C ATOM 903 OG SER A 59 -6.611 -0.602 -14.908 1.00 0.00 O ATOM 0 H SER A 59 -6.594 -2.719 -12.640 1.00 0.00 H new ATOM 0 HA SER A 59 -4.302 -1.628 -14.130 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.735 -0.317 -12.869 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.440 0.554 -13.664 1.00 0.00 H new ATOM 0 HG SER A 59 -7.225 0.139 -15.092 1.00 0.00 H new ATOM 909 N VAL A 60 -4.593 -1.876 -10.954 1.00 0.00 N ATOM 910 CA VAL A 60 -3.943 -1.660 -9.672 1.00 0.00 C ATOM 911 C VAL A 60 -2.481 -2.101 -9.765 1.00 0.00 C ATOM 912 O VAL A 60 -2.195 -3.286 -9.923 1.00 0.00 O ATOM 913 CB VAL A 60 -4.716 -2.382 -8.566 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.956 -2.325 -7.240 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.125 -1.806 -8.416 1.00 0.00 C ATOM 0 H VAL A 60 -5.327 -2.584 -10.946 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.947 -0.601 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.812 -3.429 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.527 -2.845 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.984 -2.804 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.815 -1.285 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.653 -2.337 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.060 -0.748 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.667 -1.922 -9.354 1.00 0.00 H new ATOM 925 N THR A 61 -1.594 -1.122 -9.664 1.00 0.00 N ATOM 926 CA THR A 61 -0.168 -1.393 -9.735 1.00 0.00 C ATOM 927 C THR A 61 0.496 -1.114 -8.385 1.00 0.00 C ATOM 928 O THR A 61 1.667 -1.435 -8.187 1.00 0.00 O ATOM 929 CB THR A 61 0.414 -0.565 -10.882 1.00 0.00 C ATOM 930 OG1 THR A 61 0.438 0.765 -10.372 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.528 -0.487 -12.085 1.00 0.00 C ATOM 0 H THR A 61 -1.835 -0.140 -9.534 1.00 0.00 H new ATOM 0 HA THR A 61 0.025 -2.445 -9.945 1.00 0.00 H new ATOM 0 HB THR A 61 1.365 -0.996 -11.194 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.545 0.740 -9.398 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.067 0.112 -12.870 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.722 -1.492 -12.461 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.468 -0.026 -11.782 1.00 0.00 H new ATOM 939 N HIS A 62 -0.281 -0.519 -7.492 1.00 0.00 N ATOM 940 CA HIS A 62 0.217 -0.192 -6.166 1.00 0.00 C ATOM 941 C HIS A 62 -0.920 -0.302 -5.149 1.00 0.00 C ATOM 942 O HIS A 62 -1.938 0.377 -5.275 1.00 0.00 O ATOM 943 CB HIS A 62 0.886 1.183 -6.161 1.00 0.00 C ATOM 944 CG HIS A 62 1.837 1.408 -7.312 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.471 2.076 -8.468 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.143 1.048 -7.473 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.517 2.109 -9.281 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.552 1.472 -8.663 1.00 0.00 N ATOM 0 H HIS A 62 -1.252 -0.255 -7.660 1.00 0.00 H new ATOM 0 HA HIS A 62 0.987 -0.907 -5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.113 1.952 -6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.430 1.308 -5.224 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.743 0.509 -6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.545 2.561 -10.261 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.486 1.342 -9.051 1.00 0.00 H new ATOM 956 N ILE A 63 -0.710 -1.163 -4.165 1.00 0.00 N ATOM 957 CA ILE A 63 -1.704 -1.371 -3.126 1.00 0.00 C ATOM 958 C ILE A 63 -1.200 -0.767 -1.814 1.00 0.00 C ATOM 959 O ILE A 63 -0.038 -0.946 -1.451 1.00 0.00 O ATOM 960 CB ILE A 63 -2.068 -2.854 -3.021 1.00 0.00 C ATOM 961 CG1 ILE A 63 -2.958 -3.284 -4.189 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.708 -3.167 -1.667 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.206 -4.793 -4.162 1.00 0.00 C ATOM 0 H ILE A 63 0.135 -1.726 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.631 -0.856 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.149 -3.437 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.909 -2.754 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.487 -3.006 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.957 -4.227 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.008 -2.922 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.616 -2.575 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.841 -5.072 -5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.254 -5.319 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.699 -5.064 -3.229 1.00 0.00 H new ATOM 975 N VAL A 64 -2.098 -0.065 -1.139 1.00 0.00 N ATOM 976 CA VAL A 64 -1.758 0.566 0.125 1.00 0.00 C ATOM 977 C VAL A 64 -2.503 -0.141 1.259 1.00 0.00 C ATOM 978 O VAL A 64 -3.676 -0.482 1.118 1.00 0.00 O ATOM 979 CB VAL A 64 -2.055 2.065 0.058 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.796 2.736 1.408 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.242 2.736 -1.052 1.00 0.00 C ATOM 0 H VAL A 64 -3.061 0.081 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.691 0.468 0.326 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.112 2.187 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.015 3.801 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.437 2.287 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.751 2.599 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.472 3.801 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.178 2.599 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.496 2.286 -2.012 1.00 0.00 H new ATOM 991 N ALA A 65 -1.791 -0.339 2.359 1.00 0.00 N ATOM 992 CA ALA A 65 -2.370 -0.999 3.517 1.00 0.00 C ATOM 993 C ALA A 65 -1.809 -0.367 4.792 1.00 0.00 C ATOM 994 O ALA A 65 -0.710 0.186 4.784 1.00 0.00 O ATOM 995 CB ALA A 65 -2.093 -2.502 3.440 1.00 0.00 C ATOM 0 H ALA A 65 -0.818 -0.054 2.473 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.452 -0.868 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.527 -2.997 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.537 -2.908 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.017 -2.673 3.425 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.589 -0.470 5.858 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.183 0.085 7.138 1.00 0.00 C ATOM 1003 C GLU A 66 -2.183 -1.005 8.213 1.00 0.00 C ATOM 1004 O GLU A 66 -3.162 -1.735 8.362 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.087 1.252 7.541 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.688 1.807 8.910 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.920 2.255 9.700 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.652 1.356 10.167 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.101 3.486 9.819 1.00 0.00 O ATOM 0 H GLU A 66 -3.500 -0.929 5.862 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.169 0.471 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.024 2.041 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.125 0.920 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.148 1.045 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.008 2.649 8.781 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.075 -1.080 8.934 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.934 -2.068 9.990 1.00 0.00 C ATOM 1018 C ASN A 67 -1.061 -3.470 9.391 1.00 0.00 C ATOM 1019 O ASN A 67 -1.547 -4.389 10.049 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.029 -1.904 11.046 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.889 -0.569 11.779 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.806 -0.141 12.143 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.042 0.065 11.975 1.00 0.00 N ATOM 0 H ASN A 67 -0.266 -0.472 8.808 1.00 0.00 H new ATOM 0 HA ASN A 67 0.041 -1.927 10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.008 -1.961 10.571 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.974 -2.724 11.762 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.054 0.965 12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.914 -0.349 11.645 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.616 -3.591 8.149 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.673 -4.866 7.454 1.00 0.00 C ATOM 1032 C ASN A 68 0.681 -5.146 6.800 1.00 0.00 C ATOM 1033 O ASN A 68 1.376 -4.222 6.382 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.735 -4.845 6.353 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.114 -5.199 6.914 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.391 -6.328 7.284 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.960 -4.174 6.955 1.00 0.00 N ATOM 0 H ASN A 68 -0.214 -2.827 7.606 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.924 -5.637 8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.768 -3.857 5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.465 -5.552 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.906 -4.307 7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.663 -3.254 6.629 1.00 0.00 H new ATOM 1044 N SER A 69 1.015 -6.427 6.732 1.00 0.00 N ATOM 1045 CA SER A 69 2.274 -6.841 6.136 1.00 0.00 C ATOM 1046 C SER A 69 2.033 -7.374 4.722 1.00 0.00 C ATOM 1047 O SER A 69 0.955 -7.887 4.423 1.00 0.00 O ATOM 1048 CB SER A 69 2.966 -7.903 6.992 1.00 0.00 C ATOM 1049 OG SER A 69 2.032 -8.796 7.593 1.00 0.00 O ATOM 0 H SER A 69 0.436 -7.191 7.080 1.00 0.00 H new ATOM 0 HA SER A 69 2.930 -5.972 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.663 -8.469 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.554 -7.415 7.770 1.00 0.00 H new ATOM 0 HG SER A 69 2.513 -9.460 8.130 1.00 0.00 H new ATOM 1055 N GLY A 70 3.054 -7.234 3.889 1.00 0.00 N ATOM 1056 CA GLY A 70 2.966 -7.695 2.514 1.00 0.00 C ATOM 1057 C GLY A 70 2.248 -9.043 2.432 1.00 0.00 C ATOM 1058 O GLY A 70 1.539 -9.315 1.464 1.00 0.00 O ATOM 0 H GLY A 70 3.946 -6.808 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.433 -6.958 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.967 -7.786 2.093 1.00 0.00 H new ATOM 1062 N SER A 71 2.455 -9.851 3.461 1.00 0.00 N ATOM 1063 CA SER A 71 1.836 -11.165 3.518 1.00 0.00 C ATOM 1064 C SER A 71 0.323 -11.023 3.699 1.00 0.00 C ATOM 1065 O SER A 71 -0.453 -11.677 3.005 1.00 0.00 O ATOM 1066 CB SER A 71 2.429 -12.005 4.650 1.00 0.00 C ATOM 1067 OG SER A 71 3.851 -11.921 4.688 1.00 0.00 O ATOM 0 H SER A 71 3.043 -9.621 4.262 1.00 0.00 H new ATOM 0 HA SER A 71 2.037 -11.679 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.020 -11.669 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.130 -13.046 4.524 1.00 0.00 H new ATOM 0 HG SER A 71 4.192 -12.470 5.425 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.050 -10.163 4.636 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.456 -9.927 4.917 1.00 0.00 C ATOM 1075 C ASP A 72 -2.164 -9.496 3.630 1.00 0.00 C ATOM 1076 O ASP A 72 -3.221 -10.026 3.292 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.632 -8.811 5.949 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.418 -9.236 7.403 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.869 -10.353 7.740 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -0.810 -8.435 8.145 1.00 0.00 O ATOM 0 H ASP A 72 0.597 -9.622 5.210 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.881 -10.851 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.935 -8.007 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.637 -8.400 5.850 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.552 -8.539 2.949 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.110 -8.031 1.707 1.00 0.00 C ATOM 1087 C VAL A 73 -2.075 -9.135 0.648 1.00 0.00 C ATOM 1088 O VAL A 73 -3.039 -9.319 -0.094 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.365 -6.766 1.277 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -2.038 -6.118 0.065 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.252 -5.775 2.437 1.00 0.00 C ATOM 0 H VAL A 73 -0.675 -8.102 3.233 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.153 -7.746 1.845 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.356 -7.055 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.488 -5.221 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.042 -6.821 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.064 -5.850 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.718 -4.885 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.250 -5.495 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.707 -6.238 3.260 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.955 -9.840 0.612 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.781 -10.921 -0.344 1.00 0.00 C ATOM 1103 C LEU A 74 -1.927 -11.923 -0.187 1.00 0.00 C ATOM 1104 O LEU A 74 -2.695 -12.145 -1.122 1.00 0.00 O ATOM 1105 CB LEU A 74 0.607 -11.547 -0.200 1.00 0.00 C ATOM 1106 CG LEU A 74 1.694 -10.988 -1.120 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.079 -11.479 -0.694 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.395 -11.316 -2.584 1.00 0.00 C ATOM 0 H LEU A 74 -0.158 -9.684 1.229 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.828 -10.539 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.934 -11.424 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.521 -12.618 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 74 1.695 -9.902 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.833 -11.067 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.283 -11.153 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.109 -12.568 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.183 -10.907 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.350 -12.397 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.438 -10.877 -2.867 1.00 0.00 H new ATOM 1120 N GLU A 75 -2.005 -12.503 1.002 1.00 0.00 N ATOM 1121 CA GLU A 75 -3.044 -13.476 1.293 1.00 0.00 C ATOM 1122 C GLU A 75 -4.397 -12.978 0.781 1.00 0.00 C ATOM 1123 O GLU A 75 -5.175 -13.748 0.221 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.103 -13.783 2.790 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.777 -14.363 3.284 1.00 0.00 C ATOM 1126 CD GLU A 75 -2.006 -15.632 4.109 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.686 -15.516 5.151 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.496 -16.689 3.678 1.00 0.00 O ATOM 0 H GLU A 75 -1.366 -12.318 1.775 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.801 -14.404 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.334 -12.872 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.909 -14.489 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.135 -14.590 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.254 -13.622 3.888 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.636 -11.692 0.992 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.881 -11.081 0.559 1.00 0.00 C ATOM 1137 C TRP A 76 -5.896 -11.071 -0.971 1.00 0.00 C ATOM 1138 O TRP A 76 -6.928 -11.330 -1.588 1.00 0.00 O ATOM 1139 CB TRP A 76 -6.050 -9.688 1.168 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.178 -8.867 0.539 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.431 -8.708 0.986 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.102 -8.092 -0.676 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.166 -7.892 0.150 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.332 -7.505 -0.892 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -6.030 -7.894 -1.564 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.606 -6.681 -1.991 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.320 -7.068 -2.656 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.553 -6.470 -2.888 1.00 0.00 C ATOM 0 H TRP A 76 -3.988 -11.056 1.457 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.736 -11.658 0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.241 -9.790 2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.113 -9.140 1.063 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.817 -9.161 1.887 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.142 -7.623 0.274 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.059 -8.344 -1.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.578 -6.233 -2.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.530 -6.882 -3.369 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.698 -5.845 -3.757 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.738 -10.768 -1.540 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.605 -10.720 -2.986 1.00 0.00 C ATOM 1161 C LEU A 77 -5.102 -12.037 -3.584 1.00 0.00 C ATOM 1162 O LEU A 77 -5.914 -12.037 -4.508 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.168 -10.369 -3.380 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.012 -9.286 -4.450 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.089 -9.421 -5.528 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.002 -7.891 -3.821 1.00 0.00 C ATOM 0 H LEU A 77 -3.884 -10.553 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.228 -9.927 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.635 -10.047 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.678 -11.276 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.048 -9.426 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.955 -8.639 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.006 -10.398 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.074 -9.322 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.890 -7.140 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.939 -7.725 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.170 -7.813 -3.121 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.593 -13.130 -3.032 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.975 -14.451 -3.500 1.00 0.00 C ATOM 1180 C GLN A 78 -6.477 -14.669 -3.305 1.00 0.00 C ATOM 1181 O GLN A 78 -7.114 -15.368 -4.092 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.167 -15.539 -2.789 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.685 -15.453 -3.162 1.00 0.00 C ATOM 1184 CD GLN A 78 -2.056 -16.845 -3.233 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.579 -17.761 -3.846 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.906 -16.953 -2.573 1.00 0.00 N ATOM 0 H GLN A 78 -3.920 -13.127 -2.266 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.753 -14.516 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.281 -15.435 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.557 -16.521 -3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.577 -14.952 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.156 -14.848 -2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.523 -16.146 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.407 -17.843 -2.560 1.00 0.00 H new ATOM 1195 N ALA A 79 -7.000 -14.058 -2.252 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.415 -14.177 -1.944 1.00 0.00 C ATOM 1197 C ALA A 79 -9.233 -13.548 -3.074 1.00 0.00 C ATOM 1198 O ALA A 79 -10.291 -14.058 -3.438 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.699 -13.528 -0.588 1.00 0.00 C ATOM 0 H ALA A 79 -6.469 -13.479 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.705 -15.225 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.761 -13.617 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.116 -14.029 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.423 -12.474 -0.624 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.711 -12.448 -3.598 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.379 -11.744 -4.679 1.00 0.00 C ATOM 1207 C GLN A 80 -9.611 -12.686 -5.862 1.00 0.00 C ATOM 1208 O GLN A 80 -8.740 -13.482 -6.206 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.580 -10.512 -5.107 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.414 -9.534 -3.942 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.742 -9.317 -3.214 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -9.773 -9.823 -1.984 1.00 0.00 O flip ATOM 1213 NE2 GLN A 80 -10.676 -8.730 -3.734 1.00 0.00 N flip ATOM 0 H GLN A 80 -7.833 -12.027 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.348 -11.400 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.600 -10.819 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.087 -10.015 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.671 -9.918 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.039 -8.580 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.585 -8.366 -4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.548 -8.603 -3.220 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.791 -12.563 -6.452 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.149 -13.393 -7.590 1.00 0.00 C ATOM 1224 C LYS A 81 -10.946 -12.597 -8.881 1.00 0.00 C ATOM 1225 O LYS A 81 -11.290 -13.067 -9.964 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.566 -13.947 -7.425 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.029 -14.656 -8.699 1.00 0.00 C ATOM 1228 CD LYS A 81 -13.969 -15.818 -8.369 1.00 0.00 C ATOM 1229 CE LYS A 81 -14.320 -16.613 -9.628 1.00 0.00 C ATOM 1230 NZ LYS A 81 -15.080 -17.833 -9.275 1.00 0.00 N ATOM 0 H LYS A 81 -11.511 -11.901 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.496 -14.264 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.593 -14.643 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.253 -13.135 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.538 -13.946 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.164 -15.028 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.498 -16.476 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.881 -15.434 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.909 -15.993 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.408 -16.886 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.310 -18.361 -10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.505 -18.431 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.959 -17.566 -8.788 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.389 -11.406 -8.722 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.137 -10.540 -9.861 1.00 0.00 C ATOM 1246 C VAL A 82 -8.734 -10.816 -10.406 1.00 0.00 C ATOM 1247 O VAL A 82 -7.744 -10.645 -9.696 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.346 -9.077 -9.463 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.538 -8.729 -8.212 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.997 -8.139 -10.620 1.00 0.00 C ATOM 0 H VAL A 82 -10.105 -11.020 -7.822 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.845 -10.749 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.402 -8.941 -9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.704 -7.684 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.855 -9.365 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.478 -8.890 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.154 -7.106 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.953 -8.279 -10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.635 -8.363 -11.475 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.694 -11.240 -11.660 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.428 -11.542 -12.308 1.00 0.00 C ATOM 1262 C GLN A 83 -6.725 -10.250 -12.728 1.00 0.00 C ATOM 1263 O GLN A 83 -7.028 -9.687 -13.779 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.634 -12.469 -13.508 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.275 -13.789 -13.077 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.958 -14.479 -14.260 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -8.335 -15.162 -15.057 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.268 -14.263 -14.329 1.00 0.00 N ATOM 0 H GLN A 83 -9.517 -11.382 -12.245 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.791 -12.063 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.267 -11.978 -14.247 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.676 -12.666 -13.989 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.514 -14.447 -12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.005 -13.603 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.726 -13.681 -13.628 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.815 -14.680 -15.083 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.799 -9.817 -11.884 1.00 0.00 N ATOM 1278 CA VAL A 84 -5.051 -8.601 -12.155 1.00 0.00 C ATOM 1279 C VAL A 84 -4.077 -8.853 -13.308 1.00 0.00 C ATOM 1280 O VAL A 84 -3.642 -9.983 -13.522 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.355 -8.120 -10.879 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.299 -9.126 -10.419 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.742 -6.733 -11.079 1.00 0.00 C ATOM 0 H VAL A 84 -5.550 -10.286 -11.013 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.722 -7.800 -12.465 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.108 -8.043 -10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.819 -8.761 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.774 -10.086 -10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.549 -9.250 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.254 -6.415 -10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.008 -6.772 -11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.527 -6.022 -11.338 1.00 0.00 H new ATOM 1293 N SER A 85 -3.763 -7.780 -14.020 1.00 0.00 N ATOM 1294 CA SER A 85 -2.849 -7.871 -15.146 1.00 0.00 C ATOM 1295 C SER A 85 -1.436 -8.181 -14.648 1.00 0.00 C ATOM 1296 O SER A 85 -0.535 -8.435 -15.447 1.00 0.00 O ATOM 1297 CB SER A 85 -2.852 -6.577 -15.963 1.00 0.00 C ATOM 1298 OG SER A 85 -2.496 -6.805 -17.324 1.00 0.00 O ATOM 0 H SER A 85 -4.125 -6.844 -13.839 1.00 0.00 H new ATOM 0 HA SER A 85 -3.184 -8.680 -15.795 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.842 -6.122 -15.918 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.154 -5.867 -15.520 1.00 0.00 H new ATOM 0 HG SER A 85 -2.511 -5.956 -17.813 1.00 0.00 H new ATOM 1304 N SER A 86 -1.286 -8.151 -13.332 1.00 0.00 N ATOM 1305 CA SER A 86 0.002 -8.426 -12.719 1.00 0.00 C ATOM 1306 C SER A 86 -0.029 -8.038 -11.240 1.00 0.00 C ATOM 1307 O SER A 86 -0.721 -7.096 -10.855 1.00 0.00 O ATOM 1308 CB SER A 86 1.126 -7.679 -13.440 1.00 0.00 C ATOM 1309 OG SER A 86 2.289 -7.549 -12.627 1.00 0.00 O ATOM 0 H SER A 86 -2.036 -7.940 -12.673 1.00 0.00 H new ATOM 0 HA SER A 86 0.200 -9.495 -12.804 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.383 -8.209 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.775 -6.689 -13.731 1.00 0.00 H new ATOM 0 HG SER A 86 2.983 -7.068 -13.124 1.00 0.00 H new ATOM 1315 N GLN A 87 0.730 -8.783 -10.449 1.00 0.00 N ATOM 1316 CA GLN A 87 0.798 -8.529 -9.020 1.00 0.00 C ATOM 1317 C GLN A 87 1.181 -7.071 -8.758 1.00 0.00 C ATOM 1318 O GLN A 87 2.224 -6.608 -9.216 1.00 0.00 O ATOM 1319 CB GLN A 87 1.780 -9.485 -8.340 1.00 0.00 C ATOM 1320 CG GLN A 87 1.138 -10.154 -7.122 1.00 0.00 C ATOM 1321 CD GLN A 87 2.141 -11.058 -6.402 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.217 -10.643 -6.005 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.729 -12.315 -6.256 1.00 0.00 N ATOM 0 H GLN A 87 1.303 -9.563 -10.771 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.188 -8.708 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.103 -10.247 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.671 -8.938 -8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.771 -9.392 -6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.275 -10.741 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.816 -12.597 -6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.327 -12.996 -5.788 1.00 0.00 H new ATOM 1332 N PRO A 88 0.293 -6.371 -8.002 1.00 0.00 N ATOM 1333 CA PRO A 88 0.528 -4.975 -7.674 1.00 0.00 C ATOM 1334 C PRO A 88 1.605 -4.839 -6.596 1.00 0.00 C ATOM 1335 O PRO A 88 2.016 -5.831 -5.995 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.826 -4.443 -7.231 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.661 -5.664 -6.884 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.953 -6.887 -7.443 1.00 0.00 C ATOM 0 HA PRO A 88 0.910 -4.402 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.723 -3.783 -6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.296 -3.861 -8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.779 -5.752 -5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.661 -5.575 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.762 -7.625 -6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.556 -7.379 -8.206 1.00 0.00 H new ATOM 1346 N GLU A 89 2.032 -3.603 -6.384 1.00 0.00 N ATOM 1347 CA GLU A 89 3.054 -3.325 -5.390 1.00 0.00 C ATOM 1348 C GLU A 89 2.411 -3.068 -4.025 1.00 0.00 C ATOM 1349 O GLU A 89 1.585 -2.167 -3.884 1.00 0.00 O ATOM 1350 CB GLU A 89 3.927 -2.142 -5.816 1.00 0.00 C ATOM 1351 CG GLU A 89 5.066 -2.602 -6.728 1.00 0.00 C ATOM 1352 CD GLU A 89 5.041 -1.847 -8.059 1.00 0.00 C ATOM 1353 OE1 GLU A 89 4.006 -1.953 -8.752 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.057 -1.182 -8.354 1.00 0.00 O ATOM 0 H GLU A 89 1.689 -2.783 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 89 3.700 -4.199 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.316 -1.403 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.338 -1.652 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.023 -2.440 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.980 -3.673 -6.912 1.00 0.00 H new ATOM 1361 N LEU A 90 2.815 -3.875 -3.055 1.00 0.00 N ATOM 1362 CA LEU A 90 2.288 -3.746 -1.707 1.00 0.00 C ATOM 1363 C LEU A 90 3.147 -2.753 -0.921 1.00 0.00 C ATOM 1364 O LEU A 90 4.314 -3.022 -0.641 1.00 0.00 O ATOM 1365 CB LEU A 90 2.174 -5.120 -1.043 1.00 0.00 C ATOM 1366 CG LEU A 90 0.994 -5.985 -1.491 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.616 -5.688 -2.943 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.287 -7.470 -1.268 1.00 0.00 C ATOM 0 H LEU A 90 3.501 -4.620 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 90 1.275 -3.343 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.095 -5.671 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.105 -4.976 0.035 1.00 0.00 H new ATOM 0 HG LEU A 90 0.131 -5.730 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.225 -6.316 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.336 -4.639 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.468 -5.897 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.432 -8.063 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.168 -7.757 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.469 -7.650 -0.209 1.00 0.00 H new ATOM 1380 N LEU A 91 2.536 -1.625 -0.589 1.00 0.00 N ATOM 1381 CA LEU A 91 3.230 -0.591 0.159 1.00 0.00 C ATOM 1382 C LEU A 91 2.352 -0.136 1.327 1.00 0.00 C ATOM 1383 O LEU A 91 1.130 -0.268 1.278 1.00 0.00 O ATOM 1384 CB LEU A 91 3.655 0.548 -0.770 1.00 0.00 C ATOM 1385 CG LEU A 91 4.078 0.139 -2.182 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.602 1.161 -3.216 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.589 -0.090 -2.257 1.00 0.00 C ATOM 0 H LEU A 91 1.568 -1.405 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 91 4.152 -0.984 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.828 1.253 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.484 1.081 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 91 3.596 -0.809 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.916 0.845 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.515 1.231 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.035 2.135 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.863 -0.380 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.110 0.829 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.872 -0.883 -1.564 1.00 0.00 H new ATOM 1399 N ASP A 92 3.010 0.390 2.350 1.00 0.00 N ATOM 1400 CA ASP A 92 2.305 0.865 3.529 1.00 0.00 C ATOM 1401 C ASP A 92 1.770 2.273 3.264 1.00 0.00 C ATOM 1402 O ASP A 92 2.306 2.998 2.427 1.00 0.00 O ATOM 1403 CB ASP A 92 3.239 0.933 4.739 1.00 0.00 C ATOM 1404 CG ASP A 92 2.901 -0.039 5.871 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.693 -0.310 6.045 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.858 -0.488 6.538 1.00 0.00 O ATOM 0 H ASP A 92 4.024 0.498 2.387 1.00 0.00 H new ATOM 0 HA ASP A 92 1.493 0.170 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.258 0.737 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.223 1.948 5.135 1.00 0.00 H new ATOM 1411 N VAL A 93 0.719 2.619 3.993 1.00 0.00 N ATOM 1412 CA VAL A 93 0.106 3.928 3.848 1.00 0.00 C ATOM 1413 C VAL A 93 1.194 5.003 3.876 1.00 0.00 C ATOM 1414 O VAL A 93 1.008 6.094 3.339 1.00 0.00 O ATOM 1415 CB VAL A 93 -0.960 4.129 4.928 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.328 4.175 6.320 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.783 5.390 4.657 1.00 0.00 C ATOM 0 H VAL A 93 0.277 2.015 4.686 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.403 4.006 2.888 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.636 3.274 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.107 4.319 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.193 3.238 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.381 5.002 6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.533 5.510 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.125 6.259 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.278 5.301 3.690 1.00 0.00 H new ATOM 1427 N SER A 94 2.307 4.657 4.507 1.00 0.00 N ATOM 1428 CA SER A 94 3.425 5.578 4.611 1.00 0.00 C ATOM 1429 C SER A 94 3.815 6.088 3.223 1.00 0.00 C ATOM 1430 O SER A 94 4.109 7.270 3.052 1.00 0.00 O ATOM 1431 CB SER A 94 4.625 4.913 5.288 1.00 0.00 C ATOM 1432 OG SER A 94 4.239 4.144 6.424 1.00 0.00 O ATOM 0 H SER A 94 2.458 3.751 4.951 1.00 0.00 H new ATOM 0 HA SER A 94 3.116 6.422 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.135 4.270 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.339 5.678 5.594 1.00 0.00 H new ATOM 0 HG SER A 94 5.033 3.735 6.827 1.00 0.00 H new ATOM 1438 N TRP A 95 3.803 5.172 2.266 1.00 0.00 N ATOM 1439 CA TRP A 95 4.151 5.514 0.897 1.00 0.00 C ATOM 1440 C TRP A 95 3.091 6.481 0.367 1.00 0.00 C ATOM 1441 O TRP A 95 3.413 7.593 -0.050 1.00 0.00 O ATOM 1442 CB TRP A 95 4.297 4.257 0.038 1.00 0.00 C ATOM 1443 CG TRP A 95 4.718 4.536 -1.407 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.929 4.884 -1.860 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.873 4.474 -2.575 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.928 5.052 -3.230 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.638 4.794 -3.679 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.508 4.159 -2.696 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.127 4.830 -4.982 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.013 4.199 -4.005 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.769 4.520 -5.126 1.00 0.00 C ATOM 0 H TRP A 95 3.558 4.193 2.411 1.00 0.00 H new ATOM 0 HA TRP A 95 5.122 6.007 0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.032 3.598 0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.348 3.721 0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.798 5.017 -1.232 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.727 5.317 -3.807 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.891 3.906 -1.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.746 5.083 -5.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.970 3.964 -4.154 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.311 4.530 -6.104 1.00 0.00 H new ATOM 1462 N LEU A 96 1.848 6.024 0.402 1.00 0.00 N ATOM 1463 CA LEU A 96 0.739 6.834 -0.070 1.00 0.00 C ATOM 1464 C LEU A 96 0.802 8.213 0.592 1.00 0.00 C ATOM 1465 O LEU A 96 0.651 9.234 -0.077 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.589 6.107 0.152 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.754 6.553 -0.734 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.624 7.586 -0.016 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.251 7.066 -2.085 1.00 0.00 C ATOM 0 H LEU A 96 1.585 5.102 0.750 1.00 0.00 H new ATOM 0 HA LEU A 96 0.814 6.992 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.427 5.040 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.881 6.236 1.194 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.383 5.685 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.445 7.886 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.027 7.150 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.021 8.459 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.099 7.376 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.587 7.916 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.708 6.271 -2.597 1.00 0.00 H new ATOM 1481 N ILE A 97 1.026 8.197 1.898 1.00 0.00 N ATOM 1482 CA ILE A 97 1.112 9.433 2.657 1.00 0.00 C ATOM 1483 C ILE A 97 2.156 10.349 2.016 1.00 0.00 C ATOM 1484 O ILE A 97 1.895 11.529 1.786 1.00 0.00 O ATOM 1485 CB ILE A 97 1.378 9.137 4.134 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.148 8.514 4.799 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.851 10.392 4.869 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.500 7.933 6.170 1.00 0.00 C ATOM 0 H ILE A 97 1.150 7.348 2.449 1.00 0.00 H new ATOM 0 HA ILE A 97 0.161 9.964 2.628 1.00 0.00 H new ATOM 0 HB ILE A 97 2.183 8.405 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.631 9.268 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.256 7.729 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.033 10.153 5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.773 10.754 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.085 11.164 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.392 7.497 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.262 7.162 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.881 8.726 6.814 1.00 0.00 H new ATOM 1500 N GLU A 98 3.318 9.771 1.746 1.00 0.00 N ATOM 1501 CA GLU A 98 4.402 10.521 1.136 1.00 0.00 C ATOM 1502 C GLU A 98 4.046 10.893 -0.305 1.00 0.00 C ATOM 1503 O GLU A 98 4.289 12.019 -0.737 1.00 0.00 O ATOM 1504 CB GLU A 98 5.712 9.733 1.190 1.00 0.00 C ATOM 1505 CG GLU A 98 6.244 9.651 2.623 1.00 0.00 C ATOM 1506 CD GLU A 98 7.628 10.294 2.731 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.668 11.514 3.000 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.616 9.551 2.543 1.00 0.00 O ATOM 0 H GLU A 98 3.532 8.792 1.939 1.00 0.00 H new ATOM 0 HA GLU A 98 4.545 11.441 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.552 8.728 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.454 10.210 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.553 10.152 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.298 8.608 2.936 1.00 0.00 H new ATOM 1515 N CYS A 99 3.476 9.926 -1.008 1.00 0.00 N ATOM 1516 CA CYS A 99 3.084 10.138 -2.391 1.00 0.00 C ATOM 1517 C CYS A 99 2.235 11.409 -2.461 1.00 0.00 C ATOM 1518 O CYS A 99 2.187 12.072 -3.496 1.00 0.00 O ATOM 1519 CB CYS A 99 2.344 8.927 -2.962 1.00 0.00 C ATOM 1520 SG CYS A 99 3.530 7.579 -3.316 1.00 0.00 S ATOM 0 H CYS A 99 3.276 8.994 -0.646 1.00 0.00 H new ATOM 0 HA CYS A 99 3.974 10.262 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.591 8.583 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.818 9.209 -3.874 1.00 0.00 H new ATOM 0 HG CYS A 99 3.038 6.449 -2.904 1.00 0.00 H new ATOM 1526 N ILE A 100 1.587 11.712 -1.345 1.00 0.00 N ATOM 1527 CA ILE A 100 0.743 12.892 -1.266 1.00 0.00 C ATOM 1528 C ILE A 100 1.607 14.110 -0.935 1.00 0.00 C ATOM 1529 O ILE A 100 1.714 15.037 -1.737 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.404 12.665 -0.280 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.364 11.590 -0.793 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.126 13.977 0.033 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.380 11.202 0.284 1.00 0.00 C ATOM 0 H ILE A 100 1.630 11.160 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 100 0.271 13.088 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 100 0.018 12.299 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.887 11.956 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.799 10.709 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.937 13.787 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.422 14.684 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.534 14.396 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.050 10.436 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.855 10.813 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.960 12.080 0.570 1.00 0.00 H new ATOM 1545 N GLY A 101 2.202 14.070 0.248 1.00 0.00 N ATOM 1546 CA GLY A 101 3.054 15.159 0.695 1.00 0.00 C ATOM 1547 C GLY A 101 4.167 15.436 -0.318 1.00 0.00 C ATOM 1548 O GLY A 101 4.786 16.498 -0.290 1.00 0.00 O ATOM 0 H GLY A 101 2.111 13.300 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.455 16.059 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.491 14.910 1.662 1.00 0.00 H new ATOM 1552 N ALA A 102 4.388 14.461 -1.187 1.00 0.00 N ATOM 1553 CA ALA A 102 5.416 14.586 -2.207 1.00 0.00 C ATOM 1554 C ALA A 102 4.768 14.996 -3.531 1.00 0.00 C ATOM 1555 O ALA A 102 5.449 15.469 -4.439 1.00 0.00 O ATOM 1556 CB ALA A 102 6.187 13.270 -2.318 1.00 0.00 C ATOM 0 H ALA A 102 3.873 13.581 -1.206 1.00 0.00 H new ATOM 0 HA ALA A 102 6.132 15.362 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.958 13.363 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.652 13.039 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.501 12.468 -2.591 1.00 0.00 H new ATOM 1562 N GLY A 103 3.459 14.800 -3.598 1.00 0.00 N ATOM 1563 CA GLY A 103 2.712 15.143 -4.796 1.00 0.00 C ATOM 1564 C GLY A 103 3.228 14.363 -6.007 1.00 0.00 C ATOM 1565 O GLY A 103 3.158 14.846 -7.136 1.00 0.00 O ATOM 0 H GLY A 103 2.897 14.408 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.655 14.927 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.795 16.213 -4.986 1.00 0.00 H new ATOM 1569 N LYS A 104 3.734 13.171 -5.730 1.00 0.00 N ATOM 1570 CA LYS A 104 4.262 12.319 -6.783 1.00 0.00 C ATOM 1571 C LYS A 104 4.584 10.940 -6.204 1.00 0.00 C ATOM 1572 O LYS A 104 4.614 10.765 -4.987 1.00 0.00 O ATOM 1573 CB LYS A 104 5.452 12.991 -7.469 1.00 0.00 C ATOM 1574 CG LYS A 104 6.757 12.681 -6.732 1.00 0.00 C ATOM 1575 CD LYS A 104 7.543 11.581 -7.448 1.00 0.00 C ATOM 1576 CE LYS A 104 8.925 11.397 -6.819 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.951 12.128 -7.596 1.00 0.00 N ATOM 0 H LYS A 104 3.790 12.774 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 104 3.516 12.171 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.523 12.648 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.296 14.069 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.365 13.583 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.537 12.370 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.990 10.643 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.650 11.834 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.914 11.758 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.176 10.337 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.883 11.992 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.973 11.765 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.719 13.142 -7.610 1.00 0.00 H new ATOM 1591 N PRO A 105 4.823 9.971 -7.127 1.00 0.00 N ATOM 1592 CA PRO A 105 5.141 8.612 -6.721 1.00 0.00 C ATOM 1593 C PRO A 105 6.577 8.518 -6.200 1.00 0.00 C ATOM 1594 O PRO A 105 7.505 8.271 -6.969 1.00 0.00 O ATOM 1595 CB PRO A 105 4.903 7.765 -7.960 1.00 0.00 C ATOM 1596 CG PRO A 105 4.909 8.731 -9.133 1.00 0.00 C ATOM 1597 CD PRO A 105 4.796 10.141 -8.577 1.00 0.00 C ATOM 0 HA PRO A 105 4.523 8.265 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.681 7.010 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.952 7.236 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.826 8.622 -9.713 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.079 8.519 -9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.620 10.768 -8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.874 10.622 -8.902 1.00 0.00 H new ATOM 1605 N VAL A 106 6.715 8.721 -4.898 1.00 0.00 N ATOM 1606 CA VAL A 106 8.021 8.662 -4.265 1.00 0.00 C ATOM 1607 C VAL A 106 8.732 7.376 -4.692 1.00 0.00 C ATOM 1608 O VAL A 106 8.130 6.510 -5.325 1.00 0.00 O ATOM 1609 CB VAL A 106 7.874 8.789 -2.748 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.525 10.224 -2.348 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.834 7.802 -2.214 1.00 0.00 C ATOM 0 H VAL A 106 5.943 8.927 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 106 8.640 9.499 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 106 8.835 8.541 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.426 10.286 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.316 10.897 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.584 10.513 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.749 7.913 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.868 8.005 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.143 6.784 -2.451 1.00 0.00 H new ATOM 1621 N GLU A 107 10.004 7.293 -4.329 1.00 0.00 N ATOM 1622 CA GLU A 107 10.803 6.127 -4.666 1.00 0.00 C ATOM 1623 C GLU A 107 10.572 5.011 -3.646 1.00 0.00 C ATOM 1624 O GLU A 107 10.179 5.275 -2.510 1.00 0.00 O ATOM 1625 CB GLU A 107 12.287 6.488 -4.757 1.00 0.00 C ATOM 1626 CG GLU A 107 12.911 6.597 -3.365 1.00 0.00 C ATOM 1627 CD GLU A 107 14.014 7.658 -3.339 1.00 0.00 C ATOM 1628 OE1 GLU A 107 15.009 7.460 -4.070 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.836 8.643 -2.590 1.00 0.00 O ATOM 0 H GLU A 107 10.501 8.014 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 107 10.489 5.767 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.814 5.731 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.403 7.434 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.141 6.850 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.323 5.632 -3.071 1.00 0.00 H new ATOM 1636 N MET A 108 10.825 3.788 -4.087 1.00 0.00 N ATOM 1637 CA MET A 108 10.649 2.631 -3.225 1.00 0.00 C ATOM 1638 C MET A 108 11.975 2.219 -2.583 1.00 0.00 C ATOM 1639 O MET A 108 12.724 1.425 -3.150 1.00 0.00 O ATOM 1640 CB MET A 108 10.094 1.464 -4.045 1.00 0.00 C ATOM 1641 CG MET A 108 8.565 1.441 -4.001 1.00 0.00 C ATOM 1642 SD MET A 108 7.942 0.176 -5.096 1.00 0.00 S ATOM 1643 CE MET A 108 7.471 1.181 -6.494 1.00 0.00 C ATOM 0 H MET A 108 11.150 3.573 -5.029 1.00 0.00 H new ATOM 0 HA MET A 108 9.950 2.895 -2.432 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.430 1.549 -5.078 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.487 0.524 -3.658 1.00 0.00 H new ATOM 0 HG2 MET A 108 8.225 1.252 -2.983 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.170 2.414 -4.294 1.00 0.00 H new ATOM 0 HE1 MET A 108 7.604 0.611 -7.413 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.425 1.473 -6.397 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.095 2.074 -6.527 1.00 0.00 H new ATOM 1653 N THR A 109 12.225 2.778 -1.408 1.00 0.00 N ATOM 1654 CA THR A 109 13.448 2.478 -0.682 1.00 0.00 C ATOM 1655 C THR A 109 13.274 1.209 0.154 1.00 0.00 C ATOM 1656 O THR A 109 14.120 0.890 0.989 1.00 0.00 O ATOM 1657 CB THR A 109 13.816 3.708 0.150 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.587 4.100 0.754 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.205 4.907 -0.717 1.00 0.00 C ATOM 0 H THR A 109 11.602 3.437 -0.941 1.00 0.00 H new ATOM 0 HA THR A 109 14.272 2.269 -1.364 1.00 0.00 H new ATOM 0 HB THR A 109 14.641 3.460 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.735 4.891 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.457 5.753 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 109 15.067 4.647 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.368 5.176 -1.362 1.00 0.00 H new ATOM 1667 N GLY A 110 12.172 0.518 -0.099 1.00 0.00 N ATOM 1668 CA GLY A 110 11.878 -0.710 0.620 1.00 0.00 C ATOM 1669 C GLY A 110 10.997 -0.433 1.840 1.00 0.00 C ATOM 1670 O GLY A 110 9.936 -1.035 1.994 1.00 0.00 O ATOM 0 H GLY A 110 11.472 0.785 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.375 -1.413 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.808 -1.181 0.938 1.00 0.00 H new ATOM 1674 N LYS A 111 11.470 0.480 2.677 1.00 0.00 N ATOM 1675 CA LYS A 111 10.740 0.844 3.878 1.00 0.00 C ATOM 1676 C LYS A 111 9.269 1.075 3.525 1.00 0.00 C ATOM 1677 O LYS A 111 8.390 0.906 4.370 1.00 0.00 O ATOM 1678 CB LYS A 111 11.402 2.039 4.567 1.00 0.00 C ATOM 1679 CG LYS A 111 11.749 3.132 3.554 1.00 0.00 C ATOM 1680 CD LYS A 111 11.913 4.487 4.244 1.00 0.00 C ATOM 1681 CE LYS A 111 10.666 5.353 4.055 1.00 0.00 C ATOM 1682 NZ LYS A 111 10.075 5.704 5.366 1.00 0.00 N ATOM 0 H LYS A 111 12.350 0.978 2.546 1.00 0.00 H new ATOM 0 HA LYS A 111 10.771 0.031 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.733 2.442 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.307 1.713 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.670 2.871 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.964 3.196 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.098 4.337 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.783 5.003 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.926 6.261 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.933 4.819 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.230 6.292 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 9.809 4.835 5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.771 6.233 5.930 1.00 0.00 H new ATOM 1696 N HIS A 112 9.046 1.458 2.277 1.00 0.00 N ATOM 1697 CA HIS A 112 7.697 1.714 1.802 1.00 0.00 C ATOM 1698 C HIS A 112 6.939 0.391 1.673 1.00 0.00 C ATOM 1699 O HIS A 112 5.784 0.291 2.086 1.00 0.00 O ATOM 1700 CB HIS A 112 7.723 2.511 0.496 1.00 0.00 C ATOM 1701 CG HIS A 112 8.298 3.900 0.637 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.904 4.571 -0.412 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.353 4.738 1.712 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.302 5.757 0.024 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.960 5.858 1.341 1.00 0.00 N ATOM 0 H HIS A 112 9.777 1.597 1.580 1.00 0.00 H new ATOM 0 HA HIS A 112 7.164 2.330 2.526 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.306 1.961 -0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.707 2.587 0.108 1.00 0.00 H new ATOM 0 HD1 HIS A 112 9.024 4.213 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.968 4.526 2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.808 6.511 -0.560 1.00 0.00 H new ATOM 1713 N GLN A 113 7.619 -0.591 1.100 1.00 0.00 N ATOM 1714 CA GLN A 113 7.023 -1.903 0.912 1.00 0.00 C ATOM 1715 C GLN A 113 6.895 -2.625 2.256 1.00 0.00 C ATOM 1716 O GLN A 113 7.872 -2.754 2.991 1.00 0.00 O ATOM 1717 CB GLN A 113 7.835 -2.736 -0.082 1.00 0.00 C ATOM 1718 CG GLN A 113 8.203 -1.911 -1.317 1.00 0.00 C ATOM 1719 CD GLN A 113 7.641 -2.548 -2.589 1.00 0.00 C ATOM 1720 OE1 GLN A 113 8.413 -2.388 -3.660 1.00 0.00 O flip ATOM 1721 NE2 GLN A 113 6.578 -3.146 -2.598 1.00 0.00 N flip ATOM 0 H GLN A 113 8.577 -0.505 0.760 1.00 0.00 H new ATOM 0 HA GLN A 113 6.024 -1.771 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.742 -3.101 0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.260 -3.612 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.815 -0.898 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.287 -1.830 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.034 -3.232 -1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 113 6.233 -3.560 -3.464 1.00 0.00 H new ATOM 1730 N LEU A 114 5.681 -3.075 2.535 1.00 0.00 N ATOM 1731 CA LEU A 114 5.412 -3.780 3.777 1.00 0.00 C ATOM 1732 C LEU A 114 6.572 -4.730 4.080 1.00 0.00 C ATOM 1733 O LEU A 114 7.274 -4.560 5.076 1.00 0.00 O ATOM 1734 CB LEU A 114 4.049 -4.474 3.715 1.00 0.00 C ATOM 1735 CG LEU A 114 2.855 -3.578 3.381 1.00 0.00 C ATOM 1736 CD1 LEU A 114 3.023 -2.188 3.998 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.626 -3.510 1.869 1.00 0.00 C ATOM 0 H LEU A 114 4.873 -2.965 1.923 1.00 0.00 H new ATOM 0 HA LEU A 114 5.349 -3.077 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.101 -5.268 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.862 -4.951 4.677 1.00 0.00 H new ATOM 0 HG LEU A 114 1.962 -4.021 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.161 -1.571 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.100 -2.278 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.928 -1.723 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.771 -2.867 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.514 -3.104 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.429 -4.511 1.485 1.00 0.00 H new