USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 675 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 92 TYR OH : rot -170:sc= 0.366 USER MOD Set 1.2: A 105 HIS :FLIP no HE2:sc= 0.319 F(o=-0.029,f=0.68) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.0429 K(o=-0.14,f=-1.3) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 141:sc= -0.0963 (180deg=-0.492) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -46:sc= 0.369 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 51 MET CE :methyl -141:sc= -0.337 (180deg=-2.13) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 68 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 77 ASN :FLIP amide:sc=-0.00913 F(o=-0.88,f=-0.0091) USER MOD Single : A 78 SER OG : rot 102:sc= 0.0148 USER MOD Single : A 80 MET CE :methyl 158:sc= -0.241 (180deg=-1.04) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 14:sc= 0.66 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.05) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 15.280 -25.142 -21.502 1.00 11.31 N ATOM 257 CA ALA A 17 15.983 -23.934 -21.915 1.00 1.30 C ATOM 258 C ALA A 17 15.003 -22.850 -22.353 1.00 21.53 C ATOM 259 O ALA A 17 14.006 -23.133 -23.017 1.00 72.20 O ATOM 260 CB ALA A 17 16.960 -24.250 -23.038 1.00 11.50 C ATOM 0 HA ALA A 17 16.541 -23.557 -21.058 1.00 1.30 H new ATOM 0 HB1 ALA A 17 17.478 -23.339 -23.337 1.00 11.50 H new ATOM 0 HB2 ALA A 17 17.687 -24.984 -22.692 1.00 11.50 H new ATOM 0 HB3 ALA A 17 16.415 -24.654 -23.891 1.00 11.50 H new ATOM 266 N PHE A 18 15.293 -21.610 -21.976 1.00 11.52 N ATOM 267 CA PHE A 18 14.436 -20.483 -22.330 1.00 25.55 C ATOM 268 C PHE A 18 15.255 -19.346 -22.933 1.00 23.01 C ATOM 269 O PHE A 18 16.371 -19.067 -22.493 1.00 64.14 O ATOM 270 CB PHE A 18 13.680 -19.984 -21.097 1.00 74.10 C ATOM 271 CG PHE A 18 12.767 -21.014 -20.496 1.00 73.31 C ATOM 272 CD1 PHE A 18 13.171 -21.765 -19.404 1.00 62.11 C ATOM 273 CD2 PHE A 18 11.504 -21.232 -21.023 1.00 61.35 C ATOM 274 CE1 PHE A 18 12.333 -22.714 -18.848 1.00 45.24 C ATOM 275 CE2 PHE A 18 10.662 -22.179 -20.472 1.00 31.02 C ATOM 276 CZ PHE A 18 11.077 -22.922 -19.384 1.00 5.42 C ATOM 0 H PHE A 18 16.114 -21.359 -21.426 1.00 11.52 H new ATOM 0 HA PHE A 18 13.717 -20.824 -23.075 1.00 25.55 H new ATOM 0 HB2 PHE A 18 14.400 -19.665 -20.344 1.00 74.10 H new ATOM 0 HB3 PHE A 18 13.094 -19.106 -21.370 1.00 74.10 H new ATOM 0 HD1 PHE A 18 14.152 -21.607 -18.982 1.00 62.11 H new ATOM 0 HD2 PHE A 18 11.174 -20.655 -21.874 1.00 61.35 H new ATOM 0 HE1 PHE A 18 12.660 -23.292 -17.996 1.00 45.24 H new ATOM 0 HE2 PHE A 18 9.680 -22.338 -20.892 1.00 31.02 H new ATOM 0 HZ PHE A 18 10.421 -23.664 -18.953 1.00 5.42 H new ATOM 286 N THR A 19 14.693 -18.692 -23.944 1.00 53.43 N ATOM 287 CA THR A 19 15.369 -17.586 -24.610 1.00 5.32 C ATOM 288 C THR A 19 14.366 -16.598 -25.194 1.00 34.14 C ATOM 289 O THR A 19 13.263 -16.978 -25.587 1.00 73.33 O ATOM 290 CB THR A 19 16.293 -18.088 -25.736 1.00 13.11 C ATOM 291 OG1 THR A 19 15.662 -19.161 -26.444 1.00 24.20 O ATOM 292 CG2 THR A 19 17.626 -18.558 -25.174 1.00 34.34 C ATOM 0 H THR A 19 13.770 -18.909 -24.320 1.00 53.43 H new ATOM 0 HA THR A 19 15.971 -17.083 -23.853 1.00 5.32 H new ATOM 0 HB THR A 19 16.478 -17.260 -26.421 1.00 13.11 H new ATOM 0 HG1 THR A 19 16.254 -19.474 -27.159 1.00 24.20 H new ATOM 0 HG21 THR A 19 18.261 -18.908 -25.988 1.00 34.34 H new ATOM 0 HG22 THR A 19 18.116 -17.731 -24.661 1.00 34.34 H new ATOM 0 HG23 THR A 19 17.457 -19.373 -24.470 1.00 34.34 H new ATOM 300 N PHE A 20 14.754 -15.329 -25.248 1.00 5.44 N ATOM 301 CA PHE A 20 13.887 -14.286 -25.783 1.00 45.43 C ATOM 302 C PHE A 20 13.947 -14.259 -27.308 1.00 12.22 C ATOM 303 O PHE A 20 15.005 -14.465 -27.904 1.00 34.32 O ATOM 304 CB PHE A 20 14.290 -12.920 -25.222 1.00 32.21 C ATOM 305 CG PHE A 20 13.803 -12.681 -23.821 1.00 54.35 C ATOM 306 CD1 PHE A 20 12.446 -12.656 -23.540 1.00 41.24 C ATOM 307 CD2 PHE A 20 14.701 -12.480 -22.786 1.00 43.21 C ATOM 308 CE1 PHE A 20 11.994 -12.436 -22.253 1.00 24.13 C ATOM 309 CE2 PHE A 20 14.256 -12.260 -21.497 1.00 34.05 C ATOM 310 CZ PHE A 20 12.901 -12.237 -21.230 1.00 15.14 C ATOM 0 H PHE A 20 15.664 -14.997 -24.928 1.00 5.44 H new ATOM 0 HA PHE A 20 12.864 -14.508 -25.480 1.00 45.43 H new ATOM 0 HB2 PHE A 20 15.377 -12.835 -25.240 1.00 32.21 H new ATOM 0 HB3 PHE A 20 13.898 -12.139 -25.873 1.00 32.21 H new ATOM 0 HD1 PHE A 20 11.733 -12.810 -24.337 1.00 41.24 H new ATOM 0 HD2 PHE A 20 15.762 -12.495 -22.989 1.00 43.21 H new ATOM 0 HE1 PHE A 20 10.934 -12.420 -22.047 1.00 24.13 H new ATOM 0 HE2 PHE A 20 14.967 -12.106 -20.699 1.00 34.05 H new ATOM 0 HZ PHE A 20 12.551 -12.064 -20.223 1.00 15.14 H new ATOM 320 N THR A 21 12.802 -14.003 -27.934 1.00 64.23 N ATOM 321 CA THR A 21 12.723 -13.950 -29.389 1.00 14.14 C ATOM 322 C THR A 21 12.298 -12.566 -29.866 1.00 4.45 C ATOM 323 O THR A 21 12.877 -12.016 -30.803 1.00 3.22 O ATOM 324 CB THR A 21 11.732 -14.995 -29.935 1.00 53.35 C ATOM 325 OG1 THR A 21 10.391 -14.620 -29.601 1.00 74.13 O ATOM 326 CG2 THR A 21 12.034 -16.375 -29.371 1.00 12.42 C ATOM 0 H THR A 21 11.918 -13.829 -27.457 1.00 64.23 H new ATOM 0 HA THR A 21 13.720 -14.172 -29.769 1.00 14.14 H new ATOM 0 HB THR A 21 11.839 -15.032 -31.019 1.00 53.35 H new ATOM 0 HG1 THR A 21 10.351 -14.354 -28.659 1.00 74.13 H new ATOM 0 HG21 THR A 21 11.321 -17.096 -29.771 1.00 12.42 H new ATOM 0 HG22 THR A 21 13.045 -16.670 -29.653 1.00 12.42 H new ATOM 0 HG23 THR A 21 11.953 -16.350 -28.284 1.00 12.42 H new ATOM 334 N LYS A 22 11.285 -12.006 -29.214 1.00 55.55 N ATOM 335 CA LYS A 22 10.784 -10.683 -29.570 1.00 35.12 C ATOM 336 C LYS A 22 11.000 -9.695 -28.428 1.00 54.33 C ATOM 337 O LYS A 22 10.324 -9.762 -27.401 1.00 1.41 O ATOM 338 CB LYS A 22 9.296 -10.756 -29.921 1.00 33.15 C ATOM 339 CG LYS A 22 8.761 -9.491 -30.570 1.00 21.33 C ATOM 340 CD LYS A 22 9.371 -9.269 -31.943 1.00 44.33 C ATOM 341 CE LYS A 22 8.398 -8.567 -32.879 1.00 23.44 C ATOM 342 NZ LYS A 22 9.103 -7.865 -33.987 1.00 73.41 N ATOM 0 H LYS A 22 10.795 -12.447 -28.436 1.00 55.55 H new ATOM 0 HA LYS A 22 11.339 -10.333 -30.440 1.00 35.12 H new ATOM 0 HB2 LYS A 22 9.131 -11.597 -30.594 1.00 33.15 H new ATOM 0 HB3 LYS A 22 8.727 -10.957 -29.014 1.00 33.15 H new ATOM 0 HG2 LYS A 22 7.677 -9.557 -30.659 1.00 21.33 H new ATOM 0 HG3 LYS A 22 8.977 -8.634 -29.932 1.00 21.33 H new ATOM 0 HD2 LYS A 22 10.279 -8.673 -31.847 1.00 44.33 H new ATOM 0 HD3 LYS A 22 9.663 -10.228 -32.372 1.00 44.33 H new ATOM 0 HE2 LYS A 22 7.704 -9.297 -33.295 1.00 23.44 H new ATOM 0 HE3 LYS A 22 7.804 -7.849 -32.314 1.00 23.44 H new ATOM 0 HZ1 LYS A 22 8.406 -7.399 -34.602 1.00 73.41 H new ATOM 0 HZ2 LYS A 22 9.747 -7.151 -33.591 1.00 73.41 H new ATOM 0 HZ3 LYS A 22 9.649 -8.554 -34.542 1.00 73.41 H new ATOM 356 N ILE A 23 11.943 -8.778 -28.616 1.00 23.30 N ATOM 357 CA ILE A 23 12.245 -7.775 -27.603 1.00 3.12 C ATOM 358 C ILE A 23 10.995 -6.994 -27.213 1.00 0.30 C ATOM 359 O ILE A 23 10.229 -6.536 -28.061 1.00 42.14 O ATOM 360 CB ILE A 23 13.322 -6.788 -28.091 1.00 61.02 C ATOM 361 CG1 ILE A 23 14.587 -7.543 -28.506 1.00 34.23 C ATOM 362 CG2 ILE A 23 13.638 -5.770 -27.006 1.00 45.30 C ATOM 363 CD1 ILE A 23 15.675 -6.645 -29.051 1.00 71.43 C ATOM 0 H ILE A 23 12.511 -8.709 -29.460 1.00 23.30 H new ATOM 0 HA ILE A 23 12.623 -8.310 -26.732 1.00 3.12 H new ATOM 0 HB ILE A 23 12.938 -6.255 -28.961 1.00 61.02 H new ATOM 0 HG12 ILE A 23 14.974 -8.088 -27.645 1.00 34.23 H new ATOM 0 HG13 ILE A 23 14.327 -8.284 -29.261 1.00 34.23 H new ATOM 0 HG21 ILE A 23 14.401 -5.080 -27.366 1.00 45.30 H new ATOM 0 HG22 ILE A 23 12.735 -5.214 -26.755 1.00 45.30 H new ATOM 0 HG23 ILE A 23 14.005 -6.286 -26.119 1.00 45.30 H new ATOM 0 HD11 ILE A 23 16.541 -7.248 -29.325 1.00 71.43 H new ATOM 0 HD12 ILE A 23 15.306 -6.119 -29.932 1.00 71.43 H new ATOM 0 HD13 ILE A 23 15.963 -5.920 -28.290 1.00 71.43 H new ATOM 375 N PRO A 24 10.782 -6.835 -25.898 1.00 65.02 N ATOM 376 CA PRO A 24 9.627 -6.107 -25.365 1.00 43.43 C ATOM 377 C PRO A 24 9.714 -4.608 -25.632 1.00 11.32 C ATOM 378 O PRO A 24 10.789 -4.014 -25.549 1.00 73.23 O ATOM 379 CB PRO A 24 9.694 -6.387 -23.862 1.00 32.20 C ATOM 380 CG PRO A 24 11.130 -6.677 -23.594 1.00 22.31 C ATOM 381 CD PRO A 24 11.654 -7.354 -24.831 1.00 12.05 C ATOM 0 HA PRO A 24 8.694 -6.425 -25.830 1.00 43.43 H new ATOM 0 HB2 PRO A 24 9.349 -5.530 -23.284 1.00 32.20 H new ATOM 0 HB3 PRO A 24 9.062 -7.232 -23.588 1.00 32.20 H new ATOM 0 HG2 PRO A 24 11.681 -5.760 -23.388 1.00 22.31 H new ATOM 0 HG3 PRO A 24 11.242 -7.319 -22.720 1.00 22.31 H new ATOM 0 HD2 PRO A 24 12.700 -7.108 -25.011 1.00 12.05 H new ATOM 0 HD3 PRO A 24 11.591 -8.439 -24.753 1.00 12.05 H new ATOM 389 N ALA A 25 8.575 -4.001 -25.951 1.00 62.41 N ATOM 390 CA ALA A 25 8.522 -2.571 -26.226 1.00 64.04 C ATOM 391 C ALA A 25 7.091 -2.051 -26.156 1.00 12.24 C ATOM 392 O ALA A 25 6.218 -2.509 -26.892 1.00 13.12 O ATOM 393 CB ALA A 25 9.127 -2.273 -27.590 1.00 64.44 C ATOM 0 H ALA A 25 7.677 -4.478 -26.025 1.00 62.41 H new ATOM 0 HA ALA A 25 9.105 -2.058 -25.462 1.00 64.04 H new ATOM 0 HB1 ALA A 25 9.081 -1.201 -27.782 1.00 64.44 H new ATOM 0 HB2 ALA A 25 10.167 -2.600 -27.606 1.00 64.44 H new ATOM 0 HB3 ALA A 25 8.568 -2.804 -28.360 1.00 64.44 H new ATOM 399 N GLU A 26 6.858 -1.092 -25.265 1.00 33.14 N ATOM 400 CA GLU A 26 5.530 -0.512 -25.097 1.00 44.25 C ATOM 401 C GLU A 26 5.139 0.313 -26.320 1.00 44.32 C ATOM 402 O GLU A 26 5.998 0.842 -27.028 1.00 34.21 O ATOM 403 CB GLU A 26 5.486 0.363 -23.843 1.00 22.01 C ATOM 404 CG GLU A 26 4.087 0.554 -23.283 1.00 33.53 C ATOM 405 CD GLU A 26 4.077 0.692 -21.773 1.00 14.33 C ATOM 406 OE1 GLU A 26 4.548 1.734 -21.270 1.00 55.22 O ATOM 407 OE2 GLU A 26 3.598 -0.240 -21.094 1.00 24.22 O ATOM 0 H GLU A 26 7.571 -0.701 -24.649 1.00 33.14 H new ATOM 0 HA GLU A 26 4.816 -1.328 -24.987 1.00 44.25 H new ATOM 0 HB2 GLU A 26 6.117 -0.085 -23.076 1.00 22.01 H new ATOM 0 HB3 GLU A 26 5.911 1.339 -24.076 1.00 22.01 H new ATOM 0 HG2 GLU A 26 3.640 1.443 -23.728 1.00 33.53 H new ATOM 0 HG3 GLU A 26 3.466 -0.294 -23.571 1.00 33.53 H new ATOM 414 N THR A 27 3.837 0.419 -26.563 1.00 53.35 N ATOM 415 CA THR A 27 3.331 1.178 -27.700 1.00 53.40 C ATOM 416 C THR A 27 2.376 2.277 -27.246 1.00 73.44 C ATOM 417 O THR A 27 2.196 2.501 -26.049 1.00 14.42 O ATOM 418 CB THR A 27 2.605 0.266 -28.707 1.00 12.04 C ATOM 419 OG1 THR A 27 1.425 -0.283 -28.108 1.00 43.23 O ATOM 420 CG2 THR A 27 3.516 -0.861 -29.170 1.00 53.33 C ATOM 0 H THR A 27 3.113 -0.011 -25.987 1.00 53.35 H new ATOM 0 HA THR A 27 4.195 1.629 -28.188 1.00 53.40 H new ATOM 0 HB THR A 27 2.327 0.866 -29.573 1.00 12.04 H new ATOM 0 HG1 THR A 27 0.968 -0.860 -28.755 1.00 43.23 H new ATOM 0 HG21 THR A 27 2.982 -1.492 -29.880 1.00 53.33 H new ATOM 0 HG22 THR A 27 4.399 -0.441 -29.651 1.00 53.33 H new ATOM 0 HG23 THR A 27 3.820 -1.459 -28.311 1.00 53.33 H new ATOM 428 N LEU A 28 1.765 2.958 -28.209 1.00 71.25 N ATOM 429 CA LEU A 28 0.825 4.032 -27.909 1.00 2.43 C ATOM 430 C LEU A 28 -0.270 3.549 -26.964 1.00 55.11 C ATOM 431 O LEU A 28 -0.757 4.305 -26.122 1.00 71.04 O ATOM 432 CB LEU A 28 0.202 4.568 -29.199 1.00 63.12 C ATOM 433 CG LEU A 28 0.955 5.709 -29.885 1.00 31.13 C ATOM 434 CD1 LEU A 28 2.399 5.313 -30.148 1.00 44.13 C ATOM 435 CD2 LEU A 28 0.262 6.101 -31.182 1.00 3.24 C ATOM 0 H LEU A 28 1.904 2.785 -29.205 1.00 71.25 H new ATOM 0 HA LEU A 28 1.375 4.835 -27.418 1.00 2.43 H new ATOM 0 HB2 LEU A 28 0.112 3.743 -29.905 1.00 63.12 H new ATOM 0 HB3 LEU A 28 -0.809 4.909 -28.976 1.00 63.12 H new ATOM 0 HG LEU A 28 0.952 6.573 -29.220 1.00 31.13 H new ATOM 0 HD11 LEU A 28 2.919 6.137 -30.636 1.00 44.13 H new ATOM 0 HD12 LEU A 28 2.891 5.083 -29.203 1.00 44.13 H new ATOM 0 HD13 LEU A 28 2.424 4.435 -30.793 1.00 44.13 H new ATOM 0 HD21 LEU A 28 0.811 6.914 -31.657 1.00 3.24 H new ATOM 0 HD22 LEU A 28 0.233 5.242 -31.853 1.00 3.24 H new ATOM 0 HD23 LEU A 28 -0.755 6.428 -30.967 1.00 3.24 H new ATOM 447 N HIS A 29 -0.653 2.284 -27.108 1.00 12.22 N ATOM 448 CA HIS A 29 -1.689 1.698 -26.264 1.00 42.31 C ATOM 449 C HIS A 29 -1.191 1.527 -24.832 1.00 43.22 C ATOM 450 O HIS A 29 -1.973 1.570 -23.883 1.00 65.43 O ATOM 451 CB HIS A 29 -2.131 0.347 -26.827 1.00 52.54 C ATOM 452 CG HIS A 29 -3.554 0.004 -26.512 1.00 34.05 C ATOM 453 ND1 HIS A 29 -4.570 0.077 -27.441 1.00 14.40 N ATOM 454 CD2 HIS A 29 -4.129 -0.419 -25.361 1.00 42.31 C ATOM 455 CE1 HIS A 29 -5.708 -0.284 -26.875 1.00 54.44 C ATOM 456 NE2 HIS A 29 -5.468 -0.590 -25.613 1.00 63.04 N ATOM 0 H HIS A 29 -0.262 1.645 -27.801 1.00 12.22 H new ATOM 0 HA HIS A 29 -2.542 2.376 -26.255 1.00 42.31 H new ATOM 0 HB2 HIS A 29 -1.998 0.352 -27.909 1.00 52.54 H new ATOM 0 HB3 HIS A 29 -1.481 -0.433 -26.430 1.00 52.54 H new ATOM 0 HD2 HIS A 29 -3.628 -0.590 -24.420 1.00 42.31 H new ATOM 0 HE1 HIS A 29 -6.671 -0.322 -27.362 1.00 54.44 H new ATOM 0 HE2 HIS A 29 -6.164 -0.902 -24.936 1.00 63.04 H new ATOM 464 N GLY A 30 0.116 1.333 -24.684 1.00 64.04 N ATOM 465 CA GLY A 30 0.696 1.160 -23.365 1.00 61.33 C ATOM 466 C GLY A 30 0.760 -0.296 -22.947 1.00 11.23 C ATOM 467 O GLY A 30 0.623 -0.617 -21.766 1.00 22.32 O ATOM 0 H GLY A 30 0.784 1.293 -25.454 1.00 64.04 H new ATOM 0 HA2 GLY A 30 1.701 1.582 -23.355 1.00 61.33 H new ATOM 0 HA3 GLY A 30 0.108 1.719 -22.637 1.00 61.33 H new ATOM 471 N THR A 31 0.967 -1.181 -23.917 1.00 53.32 N ATOM 472 CA THR A 31 1.043 -2.610 -23.645 1.00 35.35 C ATOM 473 C THR A 31 2.324 -3.211 -24.211 1.00 51.01 C ATOM 474 O THR A 31 2.804 -2.794 -25.265 1.00 50.31 O ATOM 475 CB THR A 31 -0.167 -3.360 -24.235 1.00 0.33 C ATOM 476 OG1 THR A 31 -0.260 -3.109 -25.642 1.00 24.25 O ATOM 477 CG2 THR A 31 -1.456 -2.929 -23.552 1.00 13.02 C ATOM 0 H THR A 31 1.085 -0.932 -24.899 1.00 53.32 H new ATOM 0 HA THR A 31 1.039 -2.725 -22.561 1.00 35.35 H new ATOM 0 HB THR A 31 -0.023 -4.427 -24.065 1.00 0.33 H new ATOM 0 HG1 THR A 31 -1.030 -3.590 -26.010 1.00 24.25 H new ATOM 0 HG21 THR A 31 -2.296 -3.472 -23.985 1.00 13.02 H new ATOM 0 HG22 THR A 31 -1.394 -3.148 -22.486 1.00 13.02 H new ATOM 0 HG23 THR A 31 -1.603 -1.858 -23.695 1.00 13.02 H new ATOM 485 N VAL A 32 2.874 -4.194 -23.505 1.00 52.02 N ATOM 486 CA VAL A 32 4.100 -4.853 -23.939 1.00 33.41 C ATOM 487 C VAL A 32 3.864 -6.337 -24.198 1.00 33.24 C ATOM 488 O VAL A 32 3.082 -6.984 -23.500 1.00 21.41 O ATOM 489 CB VAL A 32 5.221 -4.698 -22.894 1.00 53.31 C ATOM 490 CG1 VAL A 32 4.894 -5.490 -21.638 1.00 15.04 C ATOM 491 CG2 VAL A 32 6.556 -5.134 -23.477 1.00 62.30 C ATOM 0 H VAL A 32 2.490 -4.551 -22.630 1.00 52.02 H new ATOM 0 HA VAL A 32 4.408 -4.369 -24.866 1.00 33.41 H new ATOM 0 HB VAL A 32 5.296 -3.645 -22.621 1.00 53.31 H new ATOM 0 HG11 VAL A 32 5.697 -5.368 -20.912 1.00 15.04 H new ATOM 0 HG12 VAL A 32 3.960 -5.125 -21.211 1.00 15.04 H new ATOM 0 HG13 VAL A 32 4.790 -6.545 -21.890 1.00 15.04 H new ATOM 0 HG21 VAL A 32 7.337 -5.018 -22.725 1.00 62.30 H new ATOM 0 HG22 VAL A 32 6.497 -6.179 -23.780 1.00 62.30 H new ATOM 0 HG23 VAL A 32 6.793 -4.518 -24.344 1.00 62.30 H new ATOM 501 N THR A 33 4.545 -6.872 -25.206 1.00 23.41 N ATOM 502 CA THR A 33 4.410 -8.280 -25.558 1.00 31.11 C ATOM 503 C THR A 33 5.723 -9.027 -25.353 1.00 0.22 C ATOM 504 O THR A 33 6.802 -8.485 -25.594 1.00 55.44 O ATOM 505 CB THR A 33 3.957 -8.453 -27.020 1.00 44.41 C ATOM 506 OG1 THR A 33 5.042 -8.155 -27.907 1.00 32.32 O ATOM 507 CG2 THR A 33 2.777 -7.545 -27.332 1.00 2.20 C ATOM 0 H THR A 33 5.196 -6.351 -25.794 1.00 23.41 H new ATOM 0 HA THR A 33 3.650 -8.699 -24.898 1.00 31.11 H new ATOM 0 HB THR A 33 3.646 -9.488 -27.161 1.00 44.41 H new ATOM 0 HG1 THR A 33 4.747 -8.269 -28.835 1.00 32.32 H new ATOM 0 HG21 THR A 33 2.475 -7.685 -28.370 1.00 2.20 H new ATOM 0 HG22 THR A 33 1.943 -7.793 -26.675 1.00 2.20 H new ATOM 0 HG23 THR A 33 3.066 -6.506 -27.175 1.00 2.20 H new ATOM 515 N VAL A 34 5.625 -10.275 -24.906 1.00 62.02 N ATOM 516 CA VAL A 34 6.806 -11.097 -24.670 1.00 31.05 C ATOM 517 C VAL A 34 6.677 -12.454 -25.353 1.00 11.23 C ATOM 518 O VAL A 34 5.646 -13.118 -25.246 1.00 3.43 O ATOM 519 CB VAL A 34 7.046 -11.314 -23.164 1.00 3.44 C ATOM 520 CG1 VAL A 34 5.893 -12.088 -22.545 1.00 20.54 C ATOM 521 CG2 VAL A 34 8.367 -12.033 -22.933 1.00 50.44 C ATOM 0 H VAL A 34 4.740 -10.739 -24.700 1.00 62.02 H new ATOM 0 HA VAL A 34 7.655 -10.560 -25.093 1.00 31.05 H new ATOM 0 HB VAL A 34 7.099 -10.339 -22.679 1.00 3.44 H new ATOM 0 HG11 VAL A 34 6.081 -12.231 -21.481 1.00 20.54 H new ATOM 0 HG12 VAL A 34 4.967 -11.529 -22.678 1.00 20.54 H new ATOM 0 HG13 VAL A 34 5.804 -13.059 -23.032 1.00 20.54 H new ATOM 0 HG21 VAL A 34 8.520 -12.178 -21.864 1.00 50.44 H new ATOM 0 HG22 VAL A 34 8.346 -13.002 -23.431 1.00 50.44 H new ATOM 0 HG23 VAL A 34 9.183 -11.435 -23.339 1.00 50.44 H new ATOM 531 N GLU A 35 7.730 -12.859 -26.055 1.00 25.54 N ATOM 532 CA GLU A 35 7.734 -14.138 -26.756 1.00 51.21 C ATOM 533 C GLU A 35 9.069 -14.854 -26.576 1.00 5.31 C ATOM 534 O GLU A 35 10.130 -14.288 -26.841 1.00 64.42 O ATOM 535 CB GLU A 35 7.452 -13.928 -28.245 1.00 71.34 C ATOM 536 CG GLU A 35 6.800 -15.126 -28.916 1.00 15.34 C ATOM 537 CD GLU A 35 6.891 -15.069 -30.428 1.00 62.42 C ATOM 538 OE1 GLU A 35 5.886 -15.392 -31.095 1.00 53.32 O ATOM 539 OE2 GLU A 35 7.968 -14.704 -30.945 1.00 14.44 O ATOM 0 H GLU A 35 8.591 -12.321 -26.154 1.00 25.54 H new ATOM 0 HA GLU A 35 6.948 -14.760 -26.328 1.00 51.21 H new ATOM 0 HB2 GLU A 35 6.805 -13.059 -28.365 1.00 71.34 H new ATOM 0 HB3 GLU A 35 8.388 -13.701 -28.755 1.00 71.34 H new ATOM 0 HG2 GLU A 35 7.276 -16.040 -28.561 1.00 15.34 H new ATOM 0 HG3 GLU A 35 5.752 -15.177 -28.621 1.00 15.34 H new ATOM 546 N VAL A 36 9.009 -16.102 -26.122 1.00 52.32 N ATOM 547 CA VAL A 36 10.212 -16.896 -25.908 1.00 21.54 C ATOM 548 C VAL A 36 10.079 -18.277 -26.540 1.00 33.44 C ATOM 549 O VAL A 36 9.016 -18.639 -27.044 1.00 30.33 O ATOM 550 CB VAL A 36 10.518 -17.058 -24.407 1.00 35.34 C ATOM 551 CG1 VAL A 36 10.827 -15.709 -23.776 1.00 32.21 C ATOM 552 CG2 VAL A 36 9.354 -17.734 -23.696 1.00 41.15 C ATOM 0 H VAL A 36 8.139 -16.585 -25.895 1.00 52.32 H new ATOM 0 HA VAL A 36 11.034 -16.360 -26.383 1.00 21.54 H new ATOM 0 HB VAL A 36 11.398 -17.692 -24.300 1.00 35.34 H new ATOM 0 HG11 VAL A 36 11.041 -15.844 -22.716 1.00 32.21 H new ATOM 0 HG12 VAL A 36 11.694 -15.267 -24.268 1.00 32.21 H new ATOM 0 HG13 VAL A 36 9.968 -15.048 -23.892 1.00 32.21 H new ATOM 0 HG21 VAL A 36 9.587 -17.841 -22.637 1.00 41.15 H new ATOM 0 HG22 VAL A 36 8.456 -17.127 -23.811 1.00 41.15 H new ATOM 0 HG23 VAL A 36 9.184 -18.719 -24.131 1.00 41.15 H new ATOM 562 N GLN A 37 11.164 -19.044 -26.508 1.00 40.12 N ATOM 563 CA GLN A 37 11.168 -20.386 -27.078 1.00 54.13 C ATOM 564 C GLN A 37 11.112 -21.444 -25.981 1.00 15.40 C ATOM 565 O GLN A 37 11.822 -21.352 -24.980 1.00 11.25 O ATOM 566 CB GLN A 37 12.414 -20.594 -27.940 1.00 43.50 C ATOM 567 CG GLN A 37 12.245 -20.129 -29.377 1.00 75.05 C ATOM 568 CD GLN A 37 13.564 -19.783 -30.039 1.00 21.23 C ATOM 569 OE1 GLN A 37 14.635 -20.049 -29.491 1.00 74.44 O ATOM 570 NE2 GLN A 37 13.495 -19.187 -31.223 1.00 53.40 N ATOM 0 H GLN A 37 12.051 -18.759 -26.093 1.00 40.12 H new ATOM 0 HA GLN A 37 10.281 -20.490 -27.703 1.00 54.13 H new ATOM 0 HB2 GLN A 37 13.250 -20.059 -27.490 1.00 43.50 H new ATOM 0 HB3 GLN A 37 12.674 -21.652 -27.938 1.00 43.50 H new ATOM 0 HG2 GLN A 37 11.749 -20.911 -29.952 1.00 75.05 H new ATOM 0 HG3 GLN A 37 11.593 -19.256 -29.398 1.00 75.05 H new ATOM 0 HE21 GLN A 37 12.586 -18.985 -31.640 1.00 53.40 H new ATOM 0 HE22 GLN A 37 14.351 -18.931 -31.716 1.00 53.40 H new ATOM 579 N TYR A 38 10.263 -22.447 -26.176 1.00 51.31 N ATOM 580 CA TYR A 38 10.112 -23.521 -25.202 1.00 2.24 C ATOM 581 C TYR A 38 10.851 -24.776 -25.656 1.00 31.11 C ATOM 582 O TYR A 38 10.514 -25.372 -26.679 1.00 4.13 O ATOM 583 CB TYR A 38 8.631 -23.837 -24.985 1.00 65.31 C ATOM 584 CG TYR A 38 8.388 -24.928 -23.967 1.00 21.22 C ATOM 585 CD1 TYR A 38 8.417 -26.268 -24.335 1.00 5.13 C ATOM 586 CD2 TYR A 38 8.128 -24.620 -22.637 1.00 53.34 C ATOM 587 CE1 TYR A 38 8.195 -27.268 -23.408 1.00 70.11 C ATOM 588 CE2 TYR A 38 7.906 -25.613 -21.704 1.00 34.22 C ATOM 589 CZ TYR A 38 7.940 -26.936 -22.094 1.00 0.21 C ATOM 590 OH TYR A 38 7.718 -27.928 -21.167 1.00 72.42 O ATOM 0 H TYR A 38 9.669 -22.538 -27.000 1.00 51.31 H new ATOM 0 HA TYR A 38 10.547 -23.187 -24.260 1.00 2.24 H new ATOM 0 HB2 TYR A 38 8.118 -22.931 -24.663 1.00 65.31 H new ATOM 0 HB3 TYR A 38 8.188 -24.134 -25.936 1.00 65.31 H new ATOM 0 HD1 TYR A 38 8.616 -26.532 -25.363 1.00 5.13 H new ATOM 0 HD2 TYR A 38 8.099 -23.586 -22.328 1.00 53.34 H new ATOM 0 HE1 TYR A 38 8.221 -28.304 -23.711 1.00 70.11 H new ATOM 0 HE2 TYR A 38 7.707 -25.356 -20.674 1.00 34.22 H new ATOM 0 HH TYR A 38 7.555 -27.525 -20.289 1.00 72.42 H new ATOM 600 N ALA A 39 11.860 -25.172 -24.887 1.00 12.14 N ATOM 601 CA ALA A 39 12.646 -26.356 -25.208 1.00 22.42 C ATOM 602 C ALA A 39 12.629 -27.356 -24.056 1.00 3.51 C ATOM 603 O ALA A 39 13.561 -27.410 -23.254 1.00 41.54 O ATOM 604 CB ALA A 39 14.076 -25.964 -25.548 1.00 24.12 C ATOM 0 H ALA A 39 12.152 -24.690 -24.037 1.00 12.14 H new ATOM 0 HA ALA A 39 12.196 -26.836 -26.077 1.00 22.42 H new ATOM 0 HB1 ALA A 39 14.652 -26.858 -25.786 1.00 24.12 H new ATOM 0 HB2 ALA A 39 14.075 -25.294 -26.408 1.00 24.12 H new ATOM 0 HB3 ALA A 39 14.527 -25.458 -24.694 1.00 24.12 H new ATOM 675 N LYS A 46 2.995 -24.923 -19.355 1.00 40.53 N ATOM 676 CA LYS A 46 2.654 -23.515 -19.190 1.00 40.40 C ATOM 677 C LYS A 46 3.892 -22.635 -19.333 1.00 12.43 C ATOM 678 O LYS A 46 4.972 -22.983 -18.855 1.00 53.22 O ATOM 679 CB LYS A 46 2.005 -23.283 -17.824 1.00 2.34 C ATOM 680 CG LYS A 46 1.308 -21.939 -17.702 1.00 12.14 C ATOM 681 CD LYS A 46 0.809 -21.696 -16.287 1.00 2.21 C ATOM 682 CE LYS A 46 1.866 -21.011 -15.434 1.00 31.25 C ATOM 683 NZ LYS A 46 1.274 -20.370 -14.227 1.00 2.21 N ATOM 0 HA LYS A 46 1.945 -23.244 -19.973 1.00 40.40 H new ATOM 0 HB2 LYS A 46 1.282 -24.076 -17.635 1.00 2.34 H new ATOM 0 HB3 LYS A 46 2.769 -23.358 -17.051 1.00 2.34 H new ATOM 0 HG2 LYS A 46 1.997 -21.144 -17.988 1.00 12.14 H new ATOM 0 HG3 LYS A 46 0.469 -21.899 -18.397 1.00 12.14 H new ATOM 0 HD2 LYS A 46 -0.090 -21.081 -16.318 1.00 2.21 H new ATOM 0 HD3 LYS A 46 0.530 -22.646 -15.830 1.00 2.21 H new ATOM 0 HE2 LYS A 46 2.615 -21.741 -15.127 1.00 31.25 H new ATOM 0 HE3 LYS A 46 2.381 -20.258 -16.030 1.00 31.25 H new ATOM 0 HZ1 LYS A 46 2.026 -19.914 -13.672 1.00 2.21 H new ATOM 0 HZ2 LYS A 46 0.578 -19.655 -14.520 1.00 2.21 H new ATOM 0 HZ3 LYS A 46 0.804 -21.093 -13.645 1.00 2.21 H new ATOM 697 N VAL A 47 3.727 -21.492 -19.992 1.00 3.13 N ATOM 698 CA VAL A 47 4.830 -20.560 -20.193 1.00 42.11 C ATOM 699 C VAL A 47 4.661 -19.314 -19.331 1.00 3.02 C ATOM 700 O VAL A 47 4.021 -18.339 -19.724 1.00 43.42 O ATOM 701 CB VAL A 47 4.945 -20.137 -21.670 1.00 24.23 C ATOM 702 CG1 VAL A 47 6.208 -19.319 -21.894 1.00 53.31 C ATOM 703 CG2 VAL A 47 4.924 -21.358 -22.576 1.00 73.53 C ATOM 0 H VAL A 47 2.840 -21.190 -20.395 1.00 3.13 H new ATOM 0 HA VAL A 47 5.742 -21.080 -19.899 1.00 42.11 H new ATOM 0 HB VAL A 47 4.087 -19.513 -21.919 1.00 24.23 H new ATOM 0 HG11 VAL A 47 6.272 -19.029 -22.943 1.00 53.31 H new ATOM 0 HG12 VAL A 47 6.177 -18.425 -21.272 1.00 53.31 H new ATOM 0 HG13 VAL A 47 7.080 -19.916 -21.628 1.00 53.31 H new ATOM 0 HG21 VAL A 47 5.006 -21.041 -23.616 1.00 73.53 H new ATOM 0 HG22 VAL A 47 5.762 -22.010 -22.328 1.00 73.53 H new ATOM 0 HG23 VAL A 47 3.989 -21.900 -22.435 1.00 73.53 H new ATOM 713 N PRO A 48 5.249 -19.345 -18.125 1.00 51.55 N ATOM 714 CA PRO A 48 5.179 -18.225 -17.182 1.00 40.42 C ATOM 715 C PRO A 48 5.985 -17.019 -17.653 1.00 40.11 C ATOM 716 O PRO A 48 7.039 -17.168 -18.270 1.00 43.11 O ATOM 717 CB PRO A 48 5.782 -18.803 -15.900 1.00 20.04 C ATOM 718 CG PRO A 48 6.678 -19.900 -16.363 1.00 53.51 C ATOM 719 CD PRO A 48 6.027 -20.475 -17.591 1.00 1.51 C ATOM 0 HA PRO A 48 4.160 -17.856 -17.062 1.00 40.42 H new ATOM 0 HB2 PRO A 48 6.337 -18.045 -15.347 1.00 20.04 H new ATOM 0 HB3 PRO A 48 5.007 -19.180 -15.233 1.00 20.04 H new ATOM 0 HG2 PRO A 48 7.674 -19.521 -16.591 1.00 53.51 H new ATOM 0 HG3 PRO A 48 6.795 -20.660 -15.591 1.00 53.51 H new ATOM 0 HD2 PRO A 48 6.766 -20.829 -18.309 1.00 1.51 H new ATOM 0 HD3 PRO A 48 5.388 -21.323 -17.347 1.00 1.51 H new ATOM 727 N ALA A 49 5.482 -15.825 -17.358 1.00 0.32 N ATOM 728 CA ALA A 49 6.157 -14.593 -17.750 1.00 35.52 C ATOM 729 C ALA A 49 5.737 -13.430 -16.858 1.00 2.10 C ATOM 730 O ALA A 49 4.548 -13.158 -16.696 1.00 71.03 O ATOM 731 CB ALA A 49 5.866 -14.274 -19.209 1.00 20.12 C ATOM 0 H ALA A 49 4.609 -15.684 -16.849 1.00 0.32 H new ATOM 0 HA ALA A 49 7.230 -14.740 -17.629 1.00 35.52 H new ATOM 0 HB1 ALA A 49 6.376 -13.352 -19.489 1.00 20.12 H new ATOM 0 HB2 ALA A 49 6.222 -15.090 -19.838 1.00 20.12 H new ATOM 0 HB3 ALA A 49 4.792 -14.151 -19.347 1.00 20.12 H new ATOM 737 N GLN A 50 6.721 -12.748 -16.281 1.00 44.45 N ATOM 738 CA GLN A 50 6.453 -11.613 -15.406 1.00 11.01 C ATOM 739 C GLN A 50 7.752 -10.950 -14.960 1.00 20.10 C ATOM 740 O GLN A 50 8.809 -11.581 -14.946 1.00 53.41 O ATOM 741 CB GLN A 50 5.651 -12.063 -14.184 1.00 33.52 C ATOM 742 CG GLN A 50 6.265 -13.249 -13.456 1.00 55.23 C ATOM 743 CD GLN A 50 5.962 -13.242 -11.971 1.00 32.41 C ATOM 744 OE1 GLN A 50 5.194 -14.069 -11.478 1.00 71.45 O ATOM 745 NE2 GLN A 50 6.565 -12.307 -11.248 1.00 5.45 N ATOM 0 H GLN A 50 7.711 -12.962 -16.404 1.00 44.45 H new ATOM 0 HA GLN A 50 5.869 -10.884 -15.967 1.00 11.01 H new ATOM 0 HB2 GLN A 50 5.563 -11.227 -13.490 1.00 33.52 H new ATOM 0 HB3 GLN A 50 4.641 -12.324 -14.499 1.00 33.52 H new ATOM 0 HG2 GLN A 50 5.890 -14.174 -13.895 1.00 55.23 H new ATOM 0 HG3 GLN A 50 7.345 -13.241 -13.603 1.00 55.23 H new ATOM 0 HE21 GLN A 50 7.194 -11.641 -11.697 1.00 5.45 H new ATOM 0 HE22 GLN A 50 6.400 -12.254 -10.243 1.00 5.45 H new ATOM 754 N MET A 51 7.665 -9.675 -14.597 1.00 3.34 N ATOM 755 CA MET A 51 8.835 -8.927 -14.149 1.00 14.11 C ATOM 756 C MET A 51 8.752 -8.633 -12.654 1.00 45.04 C ATOM 757 O MET A 51 7.725 -8.874 -12.021 1.00 5.24 O ATOM 758 CB MET A 51 8.960 -7.618 -14.932 1.00 21.53 C ATOM 759 CG MET A 51 7.846 -6.626 -14.639 1.00 64.14 C ATOM 760 SD MET A 51 7.551 -5.490 -16.008 1.00 61.32 S ATOM 761 CE MET A 51 6.699 -6.564 -17.161 1.00 51.21 C ATOM 0 H MET A 51 6.798 -9.138 -14.604 1.00 3.34 H new ATOM 0 HA MET A 51 9.719 -9.538 -14.333 1.00 14.11 H new ATOM 0 HB2 MET A 51 9.919 -7.155 -14.699 1.00 21.53 H new ATOM 0 HB3 MET A 51 8.965 -7.841 -15.999 1.00 21.53 H new ATOM 0 HG2 MET A 51 6.928 -7.171 -14.420 1.00 64.14 H new ATOM 0 HG3 MET A 51 8.099 -6.055 -13.746 1.00 64.14 H new ATOM 0 HE1 MET A 51 7.033 -6.346 -18.176 1.00 51.21 H new ATOM 0 HE2 MET A 51 6.921 -7.604 -16.921 1.00 51.21 H new ATOM 0 HE3 MET A 51 5.624 -6.396 -17.089 1.00 51.21 H new ATOM 771 N ALA A 52 9.841 -8.112 -12.098 1.00 12.33 N ATOM 772 CA ALA A 52 9.891 -7.784 -10.678 1.00 54.02 C ATOM 773 C ALA A 52 11.056 -6.850 -10.371 1.00 51.41 C ATOM 774 O ALA A 52 11.860 -6.534 -11.248 1.00 53.05 O ATOM 775 CB ALA A 52 9.997 -9.054 -9.847 1.00 15.22 C ATOM 0 H ALA A 52 10.700 -7.908 -12.609 1.00 12.33 H new ATOM 0 HA ALA A 52 8.967 -7.268 -10.417 1.00 54.02 H new ATOM 0 HB1 ALA A 52 10.033 -8.795 -8.789 1.00 15.22 H new ATOM 0 HB2 ALA A 52 9.129 -9.686 -10.036 1.00 15.22 H new ATOM 0 HB3 ALA A 52 10.904 -9.593 -10.120 1.00 15.22 H new ATOM 781 N VAL A 53 11.141 -6.409 -9.120 1.00 24.12 N ATOM 782 CA VAL A 53 12.209 -5.511 -8.697 1.00 12.52 C ATOM 783 C VAL A 53 13.407 -6.291 -8.169 1.00 65.04 C ATOM 784 O VAL A 53 14.556 -5.896 -8.371 1.00 71.11 O ATOM 785 CB VAL A 53 11.724 -4.537 -7.606 1.00 72.02 C ATOM 786 CG1 VAL A 53 12.820 -3.545 -7.249 1.00 65.34 C ATOM 787 CG2 VAL A 53 10.466 -3.813 -8.061 1.00 13.44 C ATOM 0 H VAL A 53 10.483 -6.659 -8.382 1.00 24.12 H new ATOM 0 HA VAL A 53 12.509 -4.941 -9.576 1.00 12.52 H new ATOM 0 HB VAL A 53 11.483 -5.111 -6.712 1.00 72.02 H new ATOM 0 HG11 VAL A 53 12.459 -2.866 -6.477 1.00 65.34 H new ATOM 0 HG12 VAL A 53 13.692 -4.084 -6.879 1.00 65.34 H new ATOM 0 HG13 VAL A 53 13.096 -2.973 -8.135 1.00 65.34 H new ATOM 0 HG21 VAL A 53 10.137 -3.129 -7.279 1.00 13.44 H new ATOM 0 HG22 VAL A 53 10.679 -3.250 -8.970 1.00 13.44 H new ATOM 0 HG23 VAL A 53 9.680 -4.541 -8.261 1.00 13.44 H new ATOM 797 N ASP A 54 13.132 -7.401 -7.493 1.00 45.03 N ATOM 798 CA ASP A 54 14.189 -8.240 -6.939 1.00 14.13 C ATOM 799 C ASP A 54 13.984 -9.700 -7.329 1.00 32.31 C ATOM 800 O ASP A 54 12.939 -10.069 -7.864 1.00 33.23 O ATOM 801 CB ASP A 54 14.228 -8.107 -5.416 1.00 11.35 C ATOM 802 CG ASP A 54 14.941 -6.848 -4.963 1.00 14.44 C ATOM 803 OD1 ASP A 54 15.763 -6.935 -4.027 1.00 65.00 O ATOM 804 OD2 ASP A 54 14.676 -5.775 -5.544 1.00 41.13 O ATOM 0 H ASP A 54 12.187 -7.741 -7.315 1.00 45.03 H new ATOM 0 HA ASP A 54 15.140 -7.903 -7.350 1.00 14.13 H new ATOM 0 HB2 ASP A 54 13.209 -8.104 -5.028 1.00 11.35 H new ATOM 0 HB3 ASP A 54 14.728 -8.977 -4.991 1.00 11.35 H new ATOM 809 N MET A 55 14.989 -10.526 -7.059 1.00 23.34 N ATOM 810 CA MET A 55 14.920 -11.946 -7.384 1.00 32.24 C ATOM 811 C MET A 55 14.704 -12.782 -6.126 1.00 11.12 C ATOM 812 O MET A 55 14.943 -13.989 -6.124 1.00 74.13 O ATOM 813 CB MET A 55 16.200 -12.392 -8.093 1.00 31.22 C ATOM 814 CG MET A 55 17.462 -12.139 -7.285 1.00 22.14 C ATOM 815 SD MET A 55 18.856 -13.139 -7.841 1.00 55.13 S ATOM 816 CE MET A 55 19.089 -14.213 -6.427 1.00 15.53 C ATOM 0 H MET A 55 15.861 -10.237 -6.616 1.00 23.34 H new ATOM 0 HA MET A 55 14.072 -12.099 -8.051 1.00 32.24 H new ATOM 0 HB2 MET A 55 16.129 -13.456 -8.317 1.00 31.22 H new ATOM 0 HB3 MET A 55 16.278 -11.870 -9.047 1.00 31.22 H new ATOM 0 HG2 MET A 55 17.727 -11.084 -7.353 1.00 22.14 H new ATOM 0 HG3 MET A 55 17.264 -12.351 -6.234 1.00 22.14 H new ATOM 0 HE1 MET A 55 19.919 -14.892 -6.619 1.00 15.53 H new ATOM 0 HE2 MET A 55 19.309 -13.611 -5.545 1.00 15.53 H new ATOM 0 HE3 MET A 55 18.180 -14.790 -6.255 1.00 15.53 H new ATOM 826 N GLN A 56 14.252 -12.131 -5.059 1.00 32.22 N ATOM 827 CA GLN A 56 14.006 -12.815 -3.795 1.00 23.33 C ATOM 828 C GLN A 56 12.591 -13.383 -3.749 1.00 5.02 C ATOM 829 O GLN A 56 12.396 -14.573 -3.499 1.00 53.03 O ATOM 830 CB GLN A 56 14.223 -11.858 -2.622 1.00 14.42 C ATOM 831 CG GLN A 56 13.906 -12.472 -1.268 1.00 61.40 C ATOM 832 CD GLN A 56 14.756 -13.691 -0.967 1.00 43.13 C ATOM 833 OE1 GLN A 56 14.650 -14.717 -1.639 1.00 64.33 O ATOM 834 NE2 GLN A 56 15.607 -13.584 0.047 1.00 34.11 N ATOM 0 H GLN A 56 14.049 -11.132 -5.045 1.00 32.22 H new ATOM 0 HA GLN A 56 14.712 -13.642 -3.715 1.00 23.33 H new ATOM 0 HB2 GLN A 56 15.260 -11.522 -2.625 1.00 14.42 H new ATOM 0 HB3 GLN A 56 13.601 -10.974 -2.765 1.00 14.42 H new ATOM 0 HG2 GLN A 56 14.060 -11.725 -0.489 1.00 61.40 H new ATOM 0 HG3 GLN A 56 12.853 -12.751 -1.238 1.00 61.40 H new ATOM 0 HE21 GLN A 56 15.662 -12.714 0.577 1.00 34.11 H new ATOM 0 HE22 GLN A 56 16.206 -14.371 0.296 1.00 34.11 H new ATOM 843 N THR A 57 11.606 -12.524 -3.991 1.00 1.11 N ATOM 844 CA THR A 57 10.209 -12.939 -3.976 1.00 2.05 C ATOM 845 C THR A 57 9.597 -12.861 -5.369 1.00 62.45 C ATOM 846 O THR A 57 8.769 -13.694 -5.742 1.00 42.44 O ATOM 847 CB THR A 57 9.376 -12.072 -3.013 1.00 21.25 C ATOM 848 OG1 THR A 57 9.489 -10.691 -3.375 1.00 35.34 O ATOM 849 CG2 THR A 57 9.837 -12.264 -1.576 1.00 20.05 C ATOM 0 H THR A 57 11.750 -11.536 -4.200 1.00 1.11 H new ATOM 0 HA THR A 57 10.190 -13.973 -3.631 1.00 2.05 H new ATOM 0 HB THR A 57 8.334 -12.383 -3.088 1.00 21.25 H new ATOM 0 HG1 THR A 57 8.955 -10.147 -2.759 1.00 35.34 H new ATOM 0 HG21 THR A 57 9.234 -11.642 -0.914 1.00 20.05 H new ATOM 0 HG22 THR A 57 9.723 -13.311 -1.294 1.00 20.05 H new ATOM 0 HG23 THR A 57 10.885 -11.977 -1.489 1.00 20.05 H new ATOM 857 N LEU A 58 10.009 -11.858 -6.136 1.00 65.24 N ATOM 858 CA LEU A 58 9.501 -11.672 -7.491 1.00 41.30 C ATOM 859 C LEU A 58 7.983 -11.527 -7.488 1.00 33.23 C ATOM 860 O LEU A 58 7.288 -12.131 -8.306 1.00 43.13 O ATOM 861 CB LEU A 58 9.911 -12.849 -8.377 1.00 71.23 C ATOM 862 CG LEU A 58 11.409 -12.997 -8.647 1.00 53.10 C ATOM 863 CD1 LEU A 58 12.059 -13.869 -7.584 1.00 41.31 C ATOM 864 CD2 LEU A 58 11.646 -13.577 -10.034 1.00 2.23 C ATOM 0 H LEU A 58 10.693 -11.161 -5.843 1.00 65.24 H new ATOM 0 HA LEU A 58 9.934 -10.756 -7.892 1.00 41.30 H new ATOM 0 HB2 LEU A 58 9.553 -13.768 -7.914 1.00 71.23 H new ATOM 0 HB3 LEU A 58 9.398 -12.754 -9.334 1.00 71.23 H new ATOM 0 HG LEU A 58 11.866 -12.008 -8.606 1.00 53.10 H new ATOM 0 HD11 LEU A 58 13.125 -13.963 -7.792 1.00 41.31 H new ATOM 0 HD12 LEU A 58 11.920 -13.413 -6.604 1.00 41.31 H new ATOM 0 HD13 LEU A 58 11.599 -14.857 -7.593 1.00 41.31 H new ATOM 0 HD21 LEU A 58 12.717 -13.675 -10.209 1.00 2.23 H new ATOM 0 HD22 LEU A 58 11.175 -14.558 -10.104 1.00 2.23 H new ATOM 0 HD23 LEU A 58 11.215 -12.914 -10.784 1.00 2.23 H new ATOM 876 N THR A 59 7.472 -10.721 -6.562 1.00 51.01 N ATOM 877 CA THR A 59 6.036 -10.497 -6.452 1.00 1.31 C ATOM 878 C THR A 59 5.436 -10.105 -7.797 1.00 50.03 C ATOM 879 O THR A 59 6.062 -9.423 -8.609 1.00 23.13 O ATOM 880 CB THR A 59 5.717 -9.398 -5.421 1.00 13.04 C ATOM 881 OG1 THR A 59 4.357 -8.973 -5.563 1.00 51.54 O ATOM 882 CG2 THR A 59 6.647 -8.207 -5.593 1.00 51.34 C ATOM 0 H THR A 59 8.032 -10.213 -5.877 1.00 51.01 H new ATOM 0 HA THR A 59 5.594 -11.436 -6.120 1.00 1.31 H new ATOM 0 HB THR A 59 5.865 -9.812 -4.424 1.00 13.04 H new ATOM 0 HG1 THR A 59 4.162 -8.276 -4.903 1.00 51.54 H new ATOM 0 HG21 THR A 59 6.402 -7.444 -4.854 1.00 51.34 H new ATOM 0 HG22 THR A 59 7.679 -8.528 -5.454 1.00 51.34 H new ATOM 0 HG23 THR A 59 6.527 -7.793 -6.594 1.00 51.34 H new ATOM 890 N PRO A 60 4.192 -10.544 -8.042 1.00 25.32 N ATOM 891 CA PRO A 60 3.480 -10.250 -9.288 1.00 53.35 C ATOM 892 C PRO A 60 3.087 -8.780 -9.399 1.00 25.33 C ATOM 893 O PRO A 60 2.064 -8.358 -8.860 1.00 23.35 O ATOM 894 CB PRO A 60 2.231 -11.131 -9.200 1.00 64.21 C ATOM 895 CG PRO A 60 2.017 -11.339 -7.741 1.00 11.04 C ATOM 896 CD PRO A 60 3.386 -11.362 -7.120 1.00 23.01 C ATOM 0 HA PRO A 60 4.097 -10.447 -10.165 1.00 53.35 H new ATOM 0 HB2 PRO A 60 1.371 -10.646 -9.661 1.00 64.21 H new ATOM 0 HB3 PRO A 60 2.378 -12.079 -9.718 1.00 64.21 H new ATOM 0 HG2 PRO A 60 1.410 -10.539 -7.318 1.00 11.04 H new ATOM 0 HG3 PRO A 60 1.488 -12.273 -7.554 1.00 11.04 H new ATOM 0 HD2 PRO A 60 3.378 -10.943 -6.114 1.00 23.01 H new ATOM 0 HD3 PRO A 60 3.774 -12.377 -7.040 1.00 23.01 H new ATOM 904 N VAL A 61 3.907 -8.005 -10.101 1.00 43.31 N ATOM 905 CA VAL A 61 3.645 -6.582 -10.284 1.00 33.23 C ATOM 906 C VAL A 61 2.701 -6.344 -11.457 1.00 43.13 C ATOM 907 O VAL A 61 2.745 -7.059 -12.458 1.00 12.25 O ATOM 908 CB VAL A 61 4.948 -5.797 -10.519 1.00 43.54 C ATOM 909 CG1 VAL A 61 5.908 -5.993 -9.356 1.00 22.11 C ATOM 910 CG2 VAL A 61 5.594 -6.217 -11.831 1.00 31.51 C ATOM 0 H VAL A 61 4.759 -8.338 -10.553 1.00 43.31 H new ATOM 0 HA VAL A 61 3.176 -6.226 -9.367 1.00 33.23 H new ATOM 0 HB VAL A 61 4.705 -4.736 -10.583 1.00 43.54 H new ATOM 0 HG11 VAL A 61 6.823 -5.430 -9.541 1.00 22.11 H new ATOM 0 HG12 VAL A 61 5.443 -5.638 -8.436 1.00 22.11 H new ATOM 0 HG13 VAL A 61 6.147 -7.052 -9.256 1.00 22.11 H new ATOM 0 HG21 VAL A 61 6.514 -5.652 -11.981 1.00 31.51 H new ATOM 0 HG22 VAL A 61 5.824 -7.282 -11.799 1.00 31.51 H new ATOM 0 HG23 VAL A 61 4.908 -6.018 -12.654 1.00 31.51 H new ATOM 920 N GLY A 62 1.848 -5.332 -11.328 1.00 20.31 N ATOM 921 CA GLY A 62 0.907 -5.016 -12.386 1.00 54.11 C ATOM 922 C GLY A 62 -0.249 -5.994 -12.445 1.00 75.53 C ATOM 923 O GLY A 62 -0.559 -6.660 -11.457 1.00 15.21 O ATOM 0 H GLY A 62 1.792 -4.726 -10.510 1.00 20.31 H new ATOM 0 HA2 GLY A 62 0.519 -4.009 -12.234 1.00 54.11 H new ATOM 0 HA3 GLY A 62 1.428 -5.016 -13.343 1.00 54.11 H new ATOM 927 N ARG A 63 -0.890 -6.082 -13.606 1.00 40.35 N ATOM 928 CA ARG A 63 -2.020 -6.985 -13.790 1.00 3.20 C ATOM 929 C ARG A 63 -1.846 -7.823 -15.053 1.00 54.44 C ATOM 930 O ARG A 63 -1.489 -7.303 -16.112 1.00 24.35 O ATOM 931 CB ARG A 63 -3.326 -6.193 -13.866 1.00 12.43 C ATOM 932 CG ARG A 63 -4.552 -6.999 -13.469 1.00 24.35 C ATOM 933 CD ARG A 63 -5.626 -6.115 -12.856 1.00 54.12 C ATOM 934 NE ARG A 63 -6.674 -6.897 -12.206 1.00 75.35 N ATOM 935 CZ ARG A 63 -7.770 -6.363 -11.678 1.00 3.11 C ATOM 936 NH1 ARG A 63 -7.959 -5.051 -11.722 1.00 74.54 N ATOM 937 NH2 ARG A 63 -8.678 -7.141 -11.104 1.00 33.04 N ATOM 0 H ARG A 63 -0.646 -5.539 -14.434 1.00 40.35 H new ATOM 0 HA ARG A 63 -2.060 -7.656 -12.932 1.00 3.20 H new ATOM 0 HB2 ARG A 63 -3.250 -5.320 -13.217 1.00 12.43 H new ATOM 0 HB3 ARG A 63 -3.458 -5.824 -14.883 1.00 12.43 H new ATOM 0 HG2 ARG A 63 -4.954 -7.507 -14.346 1.00 24.35 H new ATOM 0 HG3 ARG A 63 -4.265 -7.772 -12.756 1.00 24.35 H new ATOM 0 HD2 ARG A 63 -5.171 -5.443 -12.128 1.00 54.12 H new ATOM 0 HD3 ARG A 63 -6.068 -5.491 -13.632 1.00 54.12 H new ATOM 0 HE ARG A 63 -6.558 -7.909 -12.154 1.00 75.35 H new ATOM 0 HH11 ARG A 63 -7.262 -4.450 -12.162 1.00 74.54 H new ATOM 0 HH12 ARG A 63 -8.801 -4.643 -11.316 1.00 74.54 H new ATOM 0 HH21 ARG A 63 -8.535 -8.150 -11.068 1.00 33.04 H new ATOM 0 HH22 ARG A 63 -9.519 -6.730 -10.699 1.00 33.04 H new ATOM 951 N LEU A 64 -2.102 -9.121 -14.936 1.00 4.14 N ATOM 952 CA LEU A 64 -1.974 -10.032 -16.068 1.00 4.31 C ATOM 953 C LEU A 64 -2.985 -9.691 -17.158 1.00 32.34 C ATOM 954 O LEU A 64 -4.051 -9.141 -16.879 1.00 2.22 O ATOM 955 CB LEU A 64 -2.168 -11.478 -15.609 1.00 55.11 C ATOM 956 CG LEU A 64 -3.616 -11.937 -15.434 1.00 34.14 C ATOM 957 CD1 LEU A 64 -3.673 -13.431 -15.157 1.00 63.53 C ATOM 958 CD2 LEU A 64 -4.290 -11.160 -14.312 1.00 53.34 C ATOM 0 H LEU A 64 -2.400 -9.567 -14.068 1.00 4.14 H new ATOM 0 HA LEU A 64 -0.971 -9.921 -16.481 1.00 4.31 H new ATOM 0 HB2 LEU A 64 -1.684 -12.136 -16.331 1.00 55.11 H new ATOM 0 HB3 LEU A 64 -1.649 -11.610 -14.660 1.00 55.11 H new ATOM 0 HG LEU A 64 -4.154 -11.739 -16.361 1.00 34.14 H new ATOM 0 HD11 LEU A 64 -4.711 -13.739 -15.035 1.00 63.53 H new ATOM 0 HD12 LEU A 64 -3.229 -13.973 -15.992 1.00 63.53 H new ATOM 0 HD13 LEU A 64 -3.119 -13.653 -14.245 1.00 63.53 H new ATOM 0 HD21 LEU A 64 -5.320 -11.500 -14.202 1.00 53.34 H new ATOM 0 HD22 LEU A 64 -3.751 -11.326 -13.379 1.00 53.34 H new ATOM 0 HD23 LEU A 64 -4.283 -10.096 -14.550 1.00 53.34 H new ATOM 970 N ILE A 65 -2.645 -10.024 -18.398 1.00 71.22 N ATOM 971 CA ILE A 65 -3.525 -9.756 -19.529 1.00 31.31 C ATOM 972 C ILE A 65 -3.991 -11.053 -20.182 1.00 34.11 C ATOM 973 O ILE A 65 -5.156 -11.189 -20.558 1.00 51.54 O ATOM 974 CB ILE A 65 -2.829 -8.882 -20.589 1.00 34.20 C ATOM 975 CG1 ILE A 65 -2.317 -7.587 -19.957 1.00 3.43 C ATOM 976 CG2 ILE A 65 -3.784 -8.578 -21.734 1.00 1.32 C ATOM 977 CD1 ILE A 65 -3.418 -6.701 -19.416 1.00 24.54 C ATOM 0 H ILE A 65 -1.767 -10.480 -18.645 1.00 71.22 H new ATOM 0 HA ILE A 65 -4.388 -9.219 -19.137 1.00 31.31 H new ATOM 0 HB ILE A 65 -1.976 -9.431 -20.989 1.00 34.20 H new ATOM 0 HG12 ILE A 65 -1.630 -7.834 -19.148 1.00 3.43 H new ATOM 0 HG13 ILE A 65 -1.746 -7.030 -20.700 1.00 3.43 H new ATOM 0 HG21 ILE A 65 -3.278 -7.960 -22.475 1.00 1.32 H new ATOM 0 HG22 ILE A 65 -4.105 -9.511 -22.198 1.00 1.32 H new ATOM 0 HG23 ILE A 65 -4.654 -8.046 -21.350 1.00 1.32 H new ATOM 0 HD11 ILE A 65 -2.981 -5.801 -18.983 1.00 24.54 H new ATOM 0 HD12 ILE A 65 -4.093 -6.423 -20.226 1.00 24.54 H new ATOM 0 HD13 ILE A 65 -3.975 -7.240 -18.649 1.00 24.54 H new ATOM 989 N THR A 66 -3.074 -12.007 -20.312 1.00 54.10 N ATOM 990 CA THR A 66 -3.390 -13.293 -20.920 1.00 35.22 C ATOM 991 C THR A 66 -4.236 -14.150 -19.985 1.00 15.12 C ATOM 992 O THR A 66 -4.224 -13.957 -18.769 1.00 62.25 O ATOM 993 CB THR A 66 -2.112 -14.068 -21.292 1.00 33.12 C ATOM 994 OG1 THR A 66 -0.963 -13.234 -21.108 1.00 22.23 O ATOM 995 CG2 THR A 66 -2.171 -14.548 -22.734 1.00 70.30 C ATOM 0 H THR A 66 -2.106 -11.913 -20.004 1.00 54.10 H new ATOM 0 HA THR A 66 -3.956 -13.083 -21.828 1.00 35.22 H new ATOM 0 HB THR A 66 -2.038 -14.938 -20.639 1.00 33.12 H new ATOM 0 HG1 THR A 66 -0.154 -13.734 -21.345 1.00 22.23 H new ATOM 0 HG21 THR A 66 -1.258 -15.093 -22.974 1.00 70.30 H new ATOM 0 HG22 THR A 66 -3.030 -15.206 -22.864 1.00 70.30 H new ATOM 0 HG23 THR A 66 -2.267 -13.690 -23.399 1.00 70.30 H new ATOM 1003 N ALA A 67 -4.970 -15.097 -20.560 1.00 34.14 N ATOM 1004 CA ALA A 67 -5.821 -15.985 -19.777 1.00 23.23 C ATOM 1005 C ALA A 67 -5.027 -17.171 -19.238 1.00 53.10 C ATOM 1006 O ALA A 67 -4.968 -17.393 -18.029 1.00 55.44 O ATOM 1007 CB ALA A 67 -6.993 -16.470 -20.617 1.00 2.01 C ATOM 0 H ALA A 67 -4.993 -15.269 -21.565 1.00 34.14 H new ATOM 0 HA ALA A 67 -6.207 -15.422 -18.927 1.00 23.23 H new ATOM 0 HB1 ALA A 67 -7.620 -17.132 -20.019 1.00 2.01 H new ATOM 0 HB2 ALA A 67 -7.582 -15.615 -20.949 1.00 2.01 H new ATOM 0 HB3 ALA A 67 -6.619 -17.011 -21.486 1.00 2.01 H new ATOM 1013 N ASN A 68 -4.419 -17.930 -20.143 1.00 71.44 N ATOM 1014 CA ASN A 68 -3.629 -19.094 -19.758 1.00 73.44 C ATOM 1015 C ASN A 68 -2.951 -19.718 -20.974 1.00 71.14 C ATOM 1016 O ASN A 68 -3.340 -20.782 -21.456 1.00 35.33 O ATOM 1017 CB ASN A 68 -4.516 -20.132 -19.067 1.00 22.12 C ATOM 1018 CG ASN A 68 -3.765 -21.408 -18.740 1.00 23.24 C ATOM 1019 OD1 ASN A 68 -2.719 -21.377 -18.091 1.00 64.13 O ATOM 1020 ND2 ASN A 68 -4.297 -22.539 -19.188 1.00 64.25 N ATOM 0 H ASN A 68 -4.458 -17.760 -21.148 1.00 71.44 H new ATOM 0 HA ASN A 68 -2.857 -18.764 -19.063 1.00 73.44 H new ATOM 0 HB2 ASN A 68 -4.921 -19.706 -18.149 1.00 22.12 H new ATOM 0 HB3 ASN A 68 -5.364 -20.367 -19.710 1.00 22.12 H new ATOM 0 HD21 ASN A 68 -3.837 -23.429 -18.998 1.00 64.25 H new ATOM 0 HD22 ASN A 68 -5.166 -22.518 -19.722 1.00 64.25 H new ATOM 1027 N PRO A 69 -1.911 -19.041 -21.484 1.00 32.31 N ATOM 1028 CA PRO A 69 -1.156 -19.511 -22.649 1.00 45.40 C ATOM 1029 C PRO A 69 -0.323 -20.750 -22.339 1.00 60.02 C ATOM 1030 O PRO A 69 0.442 -20.771 -21.374 1.00 75.45 O ATOM 1031 CB PRO A 69 -0.246 -18.325 -22.983 1.00 32.40 C ATOM 1032 CG PRO A 69 -0.092 -17.592 -21.696 1.00 0.34 C ATOM 1033 CD PRO A 69 -1.393 -17.766 -20.961 1.00 44.03 C ATOM 0 HA PRO A 69 -1.812 -19.807 -23.468 1.00 45.40 H new ATOM 0 HB2 PRO A 69 0.718 -18.661 -23.365 1.00 32.40 H new ATOM 0 HB3 PRO A 69 -0.689 -17.690 -23.750 1.00 32.40 H new ATOM 0 HG2 PRO A 69 0.740 -17.992 -21.116 1.00 0.34 H new ATOM 0 HG3 PRO A 69 0.119 -16.537 -21.871 1.00 0.34 H new ATOM 0 HD2 PRO A 69 -1.243 -17.805 -19.882 1.00 44.03 H new ATOM 0 HD3 PRO A 69 -2.079 -16.942 -21.158 1.00 44.03 H new ATOM 1041 N VAL A 70 -0.476 -21.781 -23.164 1.00 21.43 N ATOM 1042 CA VAL A 70 0.265 -23.024 -22.979 1.00 54.24 C ATOM 1043 C VAL A 70 0.726 -23.592 -24.317 1.00 1.13 C ATOM 1044 O VAL A 70 0.014 -23.507 -25.318 1.00 32.24 O ATOM 1045 CB VAL A 70 -0.586 -24.081 -22.251 1.00 21.31 C ATOM 1046 CG1 VAL A 70 -1.080 -23.543 -20.917 1.00 10.11 C ATOM 1047 CG2 VAL A 70 -1.752 -24.520 -23.123 1.00 54.44 C ATOM 0 H VAL A 70 -1.106 -21.781 -23.966 1.00 21.43 H new ATOM 0 HA VAL A 70 1.136 -22.786 -22.368 1.00 54.24 H new ATOM 0 HB VAL A 70 0.039 -24.952 -22.055 1.00 21.31 H new ATOM 0 HG11 VAL A 70 -1.679 -24.304 -20.417 1.00 10.11 H new ATOM 0 HG12 VAL A 70 -0.226 -23.284 -20.290 1.00 10.11 H new ATOM 0 HG13 VAL A 70 -1.689 -22.655 -21.086 1.00 10.11 H new ATOM 0 HG21 VAL A 70 -2.342 -25.267 -22.592 1.00 54.44 H new ATOM 0 HG22 VAL A 70 -2.379 -23.659 -23.353 1.00 54.44 H new ATOM 0 HG23 VAL A 70 -1.372 -24.950 -24.050 1.00 54.44 H new ATOM 1057 N ILE A 71 1.922 -24.171 -24.326 1.00 72.30 N ATOM 1058 CA ILE A 71 2.478 -24.755 -25.540 1.00 72.24 C ATOM 1059 C ILE A 71 1.682 -25.981 -25.975 1.00 53.03 C ATOM 1060 O ILE A 71 1.505 -26.926 -25.206 1.00 30.13 O ATOM 1061 CB ILE A 71 3.952 -25.156 -25.348 1.00 63.32 C ATOM 1062 CG1 ILE A 71 4.745 -23.995 -24.745 1.00 10.11 C ATOM 1063 CG2 ILE A 71 4.561 -25.588 -26.674 1.00 51.11 C ATOM 1064 CD1 ILE A 71 4.695 -22.732 -25.577 1.00 32.52 C ATOM 0 H ILE A 71 2.524 -24.248 -23.506 1.00 72.30 H new ATOM 0 HA ILE A 71 2.416 -23.991 -26.315 1.00 72.24 H new ATOM 0 HB ILE A 71 3.997 -25.999 -24.658 1.00 63.32 H new ATOM 0 HG12 ILE A 71 4.358 -23.780 -23.749 1.00 10.11 H new ATOM 0 HG13 ILE A 71 5.785 -24.300 -24.624 1.00 10.11 H new ATOM 0 HG21 ILE A 71 5.603 -25.868 -26.522 1.00 51.11 H new ATOM 0 HG22 ILE A 71 4.009 -26.442 -27.067 1.00 51.11 H new ATOM 0 HG23 ILE A 71 4.507 -24.763 -27.385 1.00 51.11 H new ATOM 0 HD11 ILE A 71 5.279 -21.951 -25.089 1.00 32.52 H new ATOM 0 HD12 ILE A 71 5.109 -22.931 -26.565 1.00 32.52 H new ATOM 0 HD13 ILE A 71 3.661 -22.403 -25.677 1.00 32.52 H new ATOM 1076 N THR A 72 1.204 -25.960 -27.216 1.00 33.03 N ATOM 1077 CA THR A 72 0.427 -27.070 -27.754 1.00 44.44 C ATOM 1078 C THR A 72 1.190 -27.787 -28.863 1.00 13.04 C ATOM 1079 O THR A 72 1.105 -29.007 -28.996 1.00 71.25 O ATOM 1080 CB THR A 72 -0.929 -26.591 -28.307 1.00 5.35 C ATOM 1081 OG1 THR A 72 -0.722 -25.622 -29.341 1.00 21.22 O ATOM 1082 CG2 THR A 72 -1.780 -25.985 -27.201 1.00 23.34 C ATOM 0 H THR A 72 1.341 -25.187 -27.867 1.00 33.03 H new ATOM 0 HA THR A 72 0.251 -27.762 -26.930 1.00 44.44 H new ATOM 0 HB THR A 72 -1.454 -27.453 -28.718 1.00 5.35 H new ATOM 0 HG1 THR A 72 -1.589 -25.324 -29.688 1.00 21.22 H new ATOM 0 HG21 THR A 72 -2.732 -25.654 -27.615 1.00 23.34 H new ATOM 0 HG22 THR A 72 -1.960 -26.733 -26.429 1.00 23.34 H new ATOM 0 HG23 THR A 72 -1.258 -25.133 -26.766 1.00 23.34 H new ATOM 1090 N GLU A 73 1.934 -27.021 -29.654 1.00 63.20 N ATOM 1091 CA GLU A 73 2.712 -27.586 -30.751 1.00 2.15 C ATOM 1092 C GLU A 73 3.600 -28.725 -30.258 1.00 34.43 C ATOM 1093 O GLU A 73 3.912 -28.814 -29.070 1.00 42.14 O ATOM 1094 CB GLU A 73 3.571 -26.503 -31.406 1.00 44.14 C ATOM 1095 CG GLU A 73 2.777 -25.530 -32.261 1.00 74.12 C ATOM 1096 CD GLU A 73 1.963 -26.227 -33.335 1.00 5.21 C ATOM 1097 OE1 GLU A 73 2.573 -26.844 -34.233 1.00 43.03 O ATOM 1098 OE2 GLU A 73 0.718 -26.155 -33.277 1.00 42.23 O ATOM 0 H GLU A 73 2.015 -26.009 -29.556 1.00 63.20 H new ATOM 0 HA GLU A 73 2.016 -27.984 -31.489 1.00 2.15 H new ATOM 0 HB2 GLU A 73 4.094 -25.947 -30.628 1.00 44.14 H new ATOM 0 HB3 GLU A 73 4.332 -26.979 -32.024 1.00 44.14 H new ATOM 0 HG2 GLU A 73 2.109 -24.952 -31.622 1.00 74.12 H new ATOM 0 HG3 GLU A 73 3.461 -24.823 -32.730 1.00 74.12 H new ATOM 1105 N SER A 74 4.001 -29.596 -31.179 1.00 3.54 N ATOM 1106 CA SER A 74 4.849 -30.732 -30.838 1.00 73.32 C ATOM 1107 C SER A 74 6.282 -30.500 -31.306 1.00 23.52 C ATOM 1108 O SER A 74 7.238 -30.885 -30.631 1.00 45.42 O ATOM 1109 CB SER A 74 4.296 -32.013 -31.466 1.00 64.41 C ATOM 1110 OG SER A 74 4.068 -31.843 -32.854 1.00 73.52 O ATOM 0 H SER A 74 3.752 -29.537 -32.166 1.00 3.54 H new ATOM 0 HA SER A 74 4.853 -30.839 -29.753 1.00 73.32 H new ATOM 0 HB2 SER A 74 4.998 -32.832 -31.307 1.00 64.41 H new ATOM 0 HB3 SER A 74 3.365 -32.291 -30.973 1.00 64.41 H new ATOM 0 HG SER A 74 3.716 -32.676 -33.232 1.00 73.52 H new ATOM 1116 N THR A 75 6.425 -29.869 -32.467 1.00 13.31 N ATOM 1117 CA THR A 75 7.740 -29.586 -33.027 1.00 1.53 C ATOM 1118 C THR A 75 8.509 -28.600 -32.154 1.00 55.21 C ATOM 1119 O THR A 75 7.937 -27.967 -31.267 1.00 42.30 O ATOM 1120 CB THR A 75 7.632 -29.015 -34.453 1.00 45.04 C ATOM 1121 OG1 THR A 75 6.547 -28.084 -34.528 1.00 71.12 O ATOM 1122 CG2 THR A 75 7.422 -30.129 -35.467 1.00 64.35 C ATOM 0 H THR A 75 5.645 -29.544 -33.038 1.00 13.31 H new ATOM 0 HA THR A 75 8.279 -30.533 -33.062 1.00 1.53 H new ATOM 0 HB THR A 75 8.565 -28.503 -34.687 1.00 45.04 H new ATOM 0 HG1 THR A 75 6.487 -27.725 -35.438 1.00 71.12 H new ATOM 0 HG21 THR A 75 7.349 -29.702 -36.467 1.00 64.35 H new ATOM 0 HG22 THR A 75 8.264 -30.820 -35.428 1.00 64.35 H new ATOM 0 HG23 THR A 75 6.502 -30.665 -35.233 1.00 64.35 H new ATOM 1130 N GLU A 76 9.807 -28.475 -32.413 1.00 15.45 N ATOM 1131 CA GLU A 76 10.653 -27.566 -31.648 1.00 31.22 C ATOM 1132 C GLU A 76 10.563 -26.146 -32.198 1.00 50.21 C ATOM 1133 O GLU A 76 9.819 -25.880 -33.142 1.00 24.45 O ATOM 1134 CB GLU A 76 12.106 -28.044 -31.674 1.00 62.00 C ATOM 1135 CG GLU A 76 12.293 -29.454 -31.138 1.00 43.44 C ATOM 1136 CD GLU A 76 11.843 -29.595 -29.697 1.00 54.34 C ATOM 1137 OE1 GLU A 76 12.715 -29.619 -28.803 1.00 55.25 O ATOM 1138 OE2 GLU A 76 10.619 -29.681 -29.464 1.00 21.34 O ATOM 0 H GLU A 76 10.295 -28.991 -33.145 1.00 15.45 H new ATOM 0 HA GLU A 76 10.298 -27.560 -30.617 1.00 31.22 H new ATOM 0 HB2 GLU A 76 12.475 -28.002 -32.699 1.00 62.00 H new ATOM 0 HB3 GLU A 76 12.716 -27.357 -31.087 1.00 62.00 H new ATOM 0 HG2 GLU A 76 11.733 -30.152 -31.760 1.00 43.44 H new ATOM 0 HG3 GLU A 76 13.344 -29.732 -31.215 1.00 43.44 H new ATOM 1145 N ASN A 77 11.326 -25.236 -31.600 1.00 61.53 N ATOM 1146 CA ASN A 77 11.332 -23.843 -32.029 1.00 43.42 C ATOM 1147 C ASN A 77 9.926 -23.253 -31.984 1.00 32.22 C ATOM 1148 O ASN A 77 9.484 -22.601 -32.930 1.00 21.02 O ATOM 1149 CB ASN A 77 11.901 -23.725 -33.445 1.00 21.33 C ATOM 1150 CG ASN A 77 13.179 -24.522 -33.622 1.00 71.42 C ATOM 1151 OD1 ASN A 77 13.038 -25.793 -33.980 1.00 22.35 O flip ATOM 1152 ND2 ASN A 77 14.279 -24.001 -33.440 1.00 63.44 N flip ATOM 0 H ASN A 77 11.948 -25.439 -30.817 1.00 61.53 H new ATOM 0 HA ASN A 77 11.965 -23.281 -31.342 1.00 43.42 H new ATOM 0 HB2 ASN A 77 11.157 -24.072 -34.163 1.00 21.33 H new ATOM 0 HB3 ASN A 77 12.096 -22.676 -33.669 1.00 21.33 H new ATOM 0 HD21 ASN A 77 14.340 -23.021 -33.165 1.00 63.44 H new ATOM 0 HD22 ASN A 77 15.130 -24.550 -33.564 1.00 63.44 H new ATOM 1159 N SER A 78 9.227 -23.487 -30.877 1.00 64.23 N ATOM 1160 CA SER A 78 7.870 -22.983 -30.709 1.00 53.43 C ATOM 1161 C SER A 78 7.865 -21.701 -29.882 1.00 11.04 C ATOM 1162 O SER A 78 8.677 -21.532 -28.972 1.00 23.01 O ATOM 1163 CB SER A 78 6.990 -24.039 -30.039 1.00 75.30 C ATOM 1164 OG SER A 78 6.551 -25.007 -30.977 1.00 20.14 O ATOM 0 H SER A 78 9.579 -24.023 -30.084 1.00 64.23 H new ATOM 0 HA SER A 78 7.467 -22.759 -31.697 1.00 53.43 H new ATOM 0 HB2 SER A 78 7.548 -24.528 -29.241 1.00 75.30 H new ATOM 0 HB3 SER A 78 6.128 -23.558 -29.577 1.00 75.30 H new ATOM 0 HG SER A 78 7.091 -25.820 -30.885 1.00 20.14 H new ATOM 1170 N LYS A 79 6.943 -20.800 -30.204 1.00 4.43 N ATOM 1171 CA LYS A 79 6.829 -19.533 -29.491 1.00 3.14 C ATOM 1172 C LYS A 79 5.379 -19.249 -29.114 1.00 74.31 C ATOM 1173 O LYS A 79 4.461 -19.911 -29.599 1.00 42.10 O ATOM 1174 CB LYS A 79 7.377 -18.390 -30.348 1.00 65.12 C ATOM 1175 CG LYS A 79 8.895 -18.326 -30.379 1.00 33.24 C ATOM 1176 CD LYS A 79 9.468 -19.200 -31.482 1.00 14.11 C ATOM 1177 CE LYS A 79 9.578 -18.439 -32.794 1.00 71.35 C ATOM 1178 NZ LYS A 79 10.586 -17.346 -32.719 1.00 13.42 N ATOM 0 H LYS A 79 6.263 -20.924 -30.955 1.00 4.43 H new ATOM 0 HA LYS A 79 7.416 -19.607 -28.576 1.00 3.14 H new ATOM 0 HB2 LYS A 79 7.006 -18.501 -31.367 1.00 65.12 H new ATOM 0 HB3 LYS A 79 6.990 -17.445 -29.968 1.00 65.12 H new ATOM 0 HG2 LYS A 79 9.213 -17.294 -30.529 1.00 33.24 H new ATOM 0 HG3 LYS A 79 9.293 -18.646 -29.416 1.00 33.24 H new ATOM 0 HD2 LYS A 79 10.453 -19.562 -31.186 1.00 14.11 H new ATOM 0 HD3 LYS A 79 8.834 -20.076 -31.620 1.00 14.11 H new ATOM 0 HE2 LYS A 79 9.850 -19.129 -33.592 1.00 71.35 H new ATOM 0 HE3 LYS A 79 8.606 -18.019 -33.053 1.00 71.35 H new ATOM 0 HZ1 LYS A 79 11.111 -17.296 -33.615 1.00 13.42 H new ATOM 0 HZ2 LYS A 79 10.104 -16.440 -32.549 1.00 13.42 H new ATOM 0 HZ3 LYS A 79 11.248 -17.537 -31.940 1.00 13.42 H new ATOM 1192 N MET A 80 5.179 -18.261 -28.248 1.00 61.21 N ATOM 1193 CA MET A 80 3.839 -17.889 -27.809 1.00 21.30 C ATOM 1194 C MET A 80 3.772 -16.405 -27.465 1.00 42.41 C ATOM 1195 O MET A 80 4.520 -15.921 -26.616 1.00 40.41 O ATOM 1196 CB MET A 80 3.427 -18.725 -26.596 1.00 14.24 C ATOM 1197 CG MET A 80 1.939 -18.660 -26.291 1.00 32.32 C ATOM 1198 SD MET A 80 0.937 -19.480 -27.545 1.00 74.45 S ATOM 1199 CE MET A 80 1.552 -21.158 -27.427 1.00 64.14 C ATOM 0 H MET A 80 5.928 -17.704 -27.836 1.00 61.21 H new ATOM 0 HA MET A 80 3.147 -18.085 -28.628 1.00 21.30 H new ATOM 0 HB2 MET A 80 3.709 -19.764 -26.768 1.00 14.24 H new ATOM 0 HB3 MET A 80 3.984 -18.383 -25.723 1.00 14.24 H new ATOM 0 HG2 MET A 80 1.750 -19.121 -25.322 1.00 32.32 H new ATOM 0 HG3 MET A 80 1.633 -17.617 -26.212 1.00 32.32 H new ATOM 0 HE1 MET A 80 0.807 -21.847 -27.825 1.00 64.14 H new ATOM 0 HE2 MET A 80 2.474 -21.249 -28.001 1.00 64.14 H new ATOM 0 HE3 MET A 80 1.750 -21.400 -26.383 1.00 64.14 H new ATOM 1209 N MET A 81 2.872 -15.688 -28.130 1.00 43.33 N ATOM 1210 CA MET A 81 2.709 -14.258 -27.894 1.00 54.00 C ATOM 1211 C MET A 81 1.875 -14.006 -26.641 1.00 43.25 C ATOM 1212 O MET A 81 0.764 -14.520 -26.509 1.00 21.52 O ATOM 1213 CB MET A 81 2.048 -13.592 -29.103 1.00 4.13 C ATOM 1214 CG MET A 81 2.291 -12.093 -29.178 1.00 74.12 C ATOM 1215 SD MET A 81 1.456 -11.324 -30.580 1.00 21.54 S ATOM 1216 CE MET A 81 2.751 -11.377 -31.815 1.00 65.15 C ATOM 0 H MET A 81 2.245 -16.073 -28.836 1.00 43.33 H new ATOM 0 HA MET A 81 3.698 -13.824 -27.745 1.00 54.00 H new ATOM 0 HB2 MET A 81 2.422 -14.059 -30.014 1.00 4.13 H new ATOM 0 HB3 MET A 81 0.974 -13.777 -29.068 1.00 4.13 H new ATOM 0 HG2 MET A 81 1.947 -11.626 -28.255 1.00 74.12 H new ATOM 0 HG3 MET A 81 3.362 -11.906 -29.250 1.00 74.12 H new ATOM 0 HE1 MET A 81 2.387 -10.936 -32.743 1.00 65.15 H new ATOM 0 HE2 MET A 81 3.615 -10.815 -31.460 1.00 65.15 H new ATOM 0 HE3 MET A 81 3.040 -12.412 -31.995 1.00 65.15 H new ATOM 1226 N LEU A 82 2.418 -13.212 -25.725 1.00 42.12 N ATOM 1227 CA LEU A 82 1.724 -12.891 -24.483 1.00 0.21 C ATOM 1228 C LEU A 82 1.527 -11.385 -24.343 1.00 3.33 C ATOM 1229 O LEU A 82 2.200 -10.597 -25.007 1.00 70.32 O ATOM 1230 CB LEU A 82 2.508 -13.428 -23.284 1.00 73.12 C ATOM 1231 CG LEU A 82 3.112 -14.823 -23.448 1.00 62.01 C ATOM 1232 CD1 LEU A 82 3.863 -15.231 -22.190 1.00 11.31 C ATOM 1233 CD2 LEU A 82 2.028 -15.839 -23.777 1.00 40.22 C ATOM 0 H LEU A 82 3.337 -12.779 -25.819 1.00 42.12 H new ATOM 0 HA LEU A 82 0.743 -13.366 -24.510 1.00 0.21 H new ATOM 0 HB2 LEU A 82 3.314 -12.729 -23.060 1.00 73.12 H new ATOM 0 HB3 LEU A 82 1.846 -13.440 -22.418 1.00 73.12 H new ATOM 0 HG LEU A 82 3.820 -14.796 -24.276 1.00 62.01 H new ATOM 0 HD11 LEU A 82 4.286 -16.226 -22.325 1.00 11.31 H new ATOM 0 HD12 LEU A 82 4.666 -14.519 -21.998 1.00 11.31 H new ATOM 0 HD13 LEU A 82 3.176 -15.241 -21.343 1.00 11.31 H new ATOM 0 HD21 LEU A 82 2.477 -16.826 -23.890 1.00 40.22 H new ATOM 0 HD22 LEU A 82 1.295 -15.864 -22.970 1.00 40.22 H new ATOM 0 HD23 LEU A 82 1.534 -15.556 -24.707 1.00 40.22 H new ATOM 1245 N GLU A 83 0.602 -10.992 -23.472 1.00 64.41 N ATOM 1246 CA GLU A 83 0.320 -9.580 -23.243 1.00 72.24 C ATOM 1247 C GLU A 83 0.526 -9.215 -21.776 1.00 53.22 C ATOM 1248 O GLU A 83 0.203 -9.995 -20.879 1.00 50.31 O ATOM 1249 CB GLU A 83 -1.113 -9.249 -23.667 1.00 1.03 C ATOM 1250 CG GLU A 83 -1.285 -9.100 -25.169 1.00 23.20 C ATOM 1251 CD GLU A 83 -0.870 -7.731 -25.671 1.00 10.32 C ATOM 1252 OE1 GLU A 83 -0.869 -6.779 -24.862 1.00 53.45 O ATOM 1253 OE2 GLU A 83 -0.547 -7.611 -26.871 1.00 3.31 O ATOM 0 H GLU A 83 0.036 -11.631 -22.914 1.00 64.41 H new ATOM 0 HA GLU A 83 1.014 -8.994 -23.845 1.00 72.24 H new ATOM 0 HB2 GLU A 83 -1.779 -10.034 -23.310 1.00 1.03 H new ATOM 0 HB3 GLU A 83 -1.422 -8.324 -23.181 1.00 1.03 H new ATOM 0 HG2 GLU A 83 -0.694 -9.863 -25.676 1.00 23.20 H new ATOM 0 HG3 GLU A 83 -2.328 -9.278 -25.431 1.00 23.20 H new ATOM 1260 N LEU A 84 1.066 -8.024 -21.539 1.00 75.35 N ATOM 1261 CA LEU A 84 1.316 -7.554 -20.181 1.00 71.24 C ATOM 1262 C LEU A 84 1.131 -6.043 -20.085 1.00 74.24 C ATOM 1263 O LEU A 84 1.318 -5.321 -21.065 1.00 32.30 O ATOM 1264 CB LEU A 84 2.731 -7.935 -19.741 1.00 54.05 C ATOM 1265 CG LEU A 84 3.076 -9.423 -19.808 1.00 4.03 C ATOM 1266 CD1 LEU A 84 3.588 -9.791 -21.192 1.00 33.11 C ATOM 1267 CD2 LEU A 84 4.106 -9.779 -18.745 1.00 35.22 C ATOM 0 H LEU A 84 1.339 -7.367 -22.270 1.00 75.35 H new ATOM 0 HA LEU A 84 0.595 -8.033 -19.519 1.00 71.24 H new ATOM 0 HB2 LEU A 84 3.442 -7.389 -20.361 1.00 54.05 H new ATOM 0 HB3 LEU A 84 2.875 -7.595 -18.716 1.00 54.05 H new ATOM 0 HG LEU A 84 2.169 -9.996 -19.615 1.00 4.03 H new ATOM 0 HD11 LEU A 84 3.828 -10.854 -21.220 1.00 33.11 H new ATOM 0 HD12 LEU A 84 2.820 -9.573 -21.934 1.00 33.11 H new ATOM 0 HD13 LEU A 84 4.483 -9.211 -21.415 1.00 33.11 H new ATOM 0 HD21 LEU A 84 4.340 -10.842 -18.807 1.00 35.22 H new ATOM 0 HD22 LEU A 84 5.013 -9.197 -18.908 1.00 35.22 H new ATOM 0 HD23 LEU A 84 3.703 -9.553 -17.758 1.00 35.22 H new ATOM 1279 N ASP A 85 0.764 -5.572 -18.899 1.00 1.32 N ATOM 1280 CA ASP A 85 0.555 -4.146 -18.674 1.00 24.02 C ATOM 1281 C ASP A 85 1.019 -3.743 -17.277 1.00 53.35 C ATOM 1282 O ASP A 85 0.216 -3.466 -16.386 1.00 52.32 O ATOM 1283 CB ASP A 85 -0.921 -3.790 -18.858 1.00 4.43 C ATOM 1284 CG ASP A 85 -1.120 -2.347 -19.278 1.00 43.31 C ATOM 1285 OD1 ASP A 85 -0.375 -1.475 -18.781 1.00 73.42 O ATOM 1286 OD2 ASP A 85 -2.019 -2.089 -20.105 1.00 13.34 O ATOM 0 H ASP A 85 0.605 -6.156 -18.078 1.00 1.32 H new ATOM 0 HA ASP A 85 1.147 -3.597 -19.406 1.00 24.02 H new ATOM 0 HB2 ASP A 85 -1.360 -4.448 -19.608 1.00 4.43 H new ATOM 0 HB3 ASP A 85 -1.455 -3.971 -17.925 1.00 4.43 H new ATOM 1291 N PRO A 86 2.345 -3.709 -17.080 1.00 60.44 N ATOM 1292 CA PRO A 86 2.945 -3.343 -15.794 1.00 62.11 C ATOM 1293 C PRO A 86 2.761 -1.865 -15.469 1.00 0.25 C ATOM 1294 O PRO A 86 2.372 -1.062 -16.316 1.00 54.54 O ATOM 1295 CB PRO A 86 4.428 -3.667 -15.990 1.00 5.32 C ATOM 1296 CG PRO A 86 4.646 -3.574 -17.461 1.00 34.13 C ATOM 1297 CD PRO A 86 3.361 -4.026 -18.098 1.00 71.32 C ATOM 0 HA PRO A 86 2.484 -3.876 -14.962 1.00 62.11 H new ATOM 0 HB2 PRO A 86 5.062 -2.963 -15.451 1.00 5.32 H new ATOM 0 HB3 PRO A 86 4.668 -4.662 -15.617 1.00 5.32 H new ATOM 0 HG2 PRO A 86 4.890 -2.553 -17.756 1.00 34.13 H new ATOM 0 HG3 PRO A 86 5.479 -4.204 -17.773 1.00 34.13 H new ATOM 0 HD2 PRO A 86 3.170 -3.501 -19.034 1.00 71.32 H new ATOM 0 HD3 PRO A 86 3.380 -5.091 -18.329 1.00 71.32 H new ATOM 1305 N PRO A 87 3.047 -1.495 -14.211 1.00 43.34 N ATOM 1306 CA PRO A 87 2.922 -0.110 -13.746 1.00 31.42 C ATOM 1307 C PRO A 87 3.975 0.805 -14.359 1.00 45.34 C ATOM 1308 O PRO A 87 4.752 0.387 -15.218 1.00 61.32 O ATOM 1309 CB PRO A 87 3.128 -0.225 -12.233 1.00 44.14 C ATOM 1310 CG PRO A 87 3.943 -1.459 -12.055 1.00 30.44 C ATOM 1311 CD PRO A 87 3.516 -2.399 -13.148 1.00 60.11 C ATOM 0 HA PRO A 87 1.966 0.330 -14.028 1.00 31.42 H new ATOM 0 HB2 PRO A 87 3.642 0.650 -11.836 1.00 44.14 H new ATOM 0 HB3 PRO A 87 2.176 -0.300 -11.708 1.00 44.14 H new ATOM 0 HG2 PRO A 87 5.008 -1.237 -12.125 1.00 30.44 H new ATOM 0 HG3 PRO A 87 3.774 -1.900 -11.073 1.00 30.44 H new ATOM 0 HD2 PRO A 87 4.343 -3.023 -13.487 1.00 60.11 H new ATOM 0 HD3 PRO A 87 2.725 -3.071 -12.814 1.00 60.11 H new ATOM 1319 N PHE A 88 3.997 2.057 -13.913 1.00 61.13 N ATOM 1320 CA PHE A 88 4.955 3.033 -14.420 1.00 61.31 C ATOM 1321 C PHE A 88 6.252 2.988 -13.618 1.00 4.30 C ATOM 1322 O PHE A 88 6.322 3.497 -12.500 1.00 35.31 O ATOM 1323 CB PHE A 88 4.358 4.440 -14.368 1.00 14.35 C ATOM 1324 CG PHE A 88 3.212 4.641 -15.318 1.00 42.21 C ATOM 1325 CD1 PHE A 88 3.407 5.277 -16.534 1.00 12.03 C ATOM 1326 CD2 PHE A 88 1.941 4.195 -14.996 1.00 32.42 C ATOM 1327 CE1 PHE A 88 2.355 5.463 -17.411 1.00 11.20 C ATOM 1328 CE2 PHE A 88 0.885 4.378 -15.869 1.00 63.42 C ATOM 1329 CZ PHE A 88 1.092 5.014 -17.078 1.00 24.34 C ATOM 0 H PHE A 88 3.362 2.420 -13.202 1.00 61.13 H new ATOM 0 HA PHE A 88 5.180 2.780 -15.456 1.00 61.31 H new ATOM 0 HB2 PHE A 88 4.018 4.644 -13.353 1.00 14.35 H new ATOM 0 HB3 PHE A 88 5.139 5.166 -14.595 1.00 14.35 H new ATOM 0 HD1 PHE A 88 4.392 5.631 -16.799 1.00 12.03 H new ATOM 0 HD2 PHE A 88 1.773 3.698 -14.052 1.00 32.42 H new ATOM 0 HE1 PHE A 88 2.520 5.959 -18.356 1.00 11.20 H new ATOM 0 HE2 PHE A 88 -0.101 4.024 -15.606 1.00 63.42 H new ATOM 0 HZ PHE A 88 0.268 5.160 -17.761 1.00 24.34 H new ATOM 1339 N GLY A 89 7.280 2.375 -14.199 1.00 14.25 N ATOM 1340 CA GLY A 89 8.560 2.273 -13.524 1.00 5.52 C ATOM 1341 C GLY A 89 9.516 1.334 -14.232 1.00 41.25 C ATOM 1342 O GLY A 89 9.367 1.070 -15.426 1.00 2.42 O ATOM 0 H GLY A 89 7.248 1.948 -15.125 1.00 14.25 H new ATOM 0 HA2 GLY A 89 9.011 3.263 -13.456 1.00 5.52 H new ATOM 0 HA3 GLY A 89 8.402 1.924 -12.503 1.00 5.52 H new ATOM 1346 N ASP A 90 10.501 0.829 -13.497 1.00 52.54 N ATOM 1347 CA ASP A 90 11.485 -0.086 -14.063 1.00 20.11 C ATOM 1348 C ASP A 90 11.408 -1.452 -13.388 1.00 14.23 C ATOM 1349 O ASP A 90 11.144 -1.549 -12.189 1.00 42.22 O ATOM 1350 CB ASP A 90 12.894 0.491 -13.915 1.00 32.23 C ATOM 1351 CG ASP A 90 13.385 0.457 -12.481 1.00 24.00 C ATOM 1352 OD1 ASP A 90 14.010 -0.552 -12.091 1.00 34.20 O ATOM 1353 OD2 ASP A 90 13.147 1.440 -11.749 1.00 52.11 O ATOM 0 H ASP A 90 10.639 1.038 -12.508 1.00 52.54 H new ATOM 0 HA ASP A 90 11.261 -0.211 -15.122 1.00 20.11 H new ATOM 0 HB2 ASP A 90 13.582 -0.072 -14.545 1.00 32.23 H new ATOM 0 HB3 ASP A 90 12.902 1.520 -14.275 1.00 32.23 H new ATOM 1358 N SER A 91 11.638 -2.505 -14.166 1.00 12.23 N ATOM 1359 CA SER A 91 11.589 -3.866 -13.644 1.00 54.33 C ATOM 1360 C SER A 91 12.441 -4.804 -14.493 1.00 41.23 C ATOM 1361 O SER A 91 13.074 -4.381 -15.461 1.00 52.21 O ATOM 1362 CB SER A 91 10.144 -4.367 -13.604 1.00 72.11 C ATOM 1363 OG SER A 91 9.442 -3.812 -12.506 1.00 14.24 O ATOM 0 H SER A 91 11.860 -2.442 -15.160 1.00 12.23 H new ATOM 0 HA SER A 91 11.991 -3.855 -12.631 1.00 54.33 H new ATOM 0 HB2 SER A 91 9.639 -4.104 -14.533 1.00 72.11 H new ATOM 0 HB3 SER A 91 10.135 -5.455 -13.533 1.00 72.11 H new ATOM 0 HG SER A 91 9.950 -3.058 -12.140 1.00 14.24 H new ATOM 1369 N TYR A 92 12.453 -6.080 -14.124 1.00 14.45 N ATOM 1370 CA TYR A 92 13.228 -7.079 -14.849 1.00 53.23 C ATOM 1371 C TYR A 92 12.331 -8.209 -15.346 1.00 10.30 C ATOM 1372 O TYR A 92 11.971 -9.109 -14.587 1.00 62.44 O ATOM 1373 CB TYR A 92 14.333 -7.645 -13.956 1.00 51.11 C ATOM 1374 CG TYR A 92 15.604 -6.826 -13.973 1.00 31.13 C ATOM 1375 CD1 TYR A 92 15.861 -5.886 -12.982 1.00 20.51 C ATOM 1376 CD2 TYR A 92 16.547 -6.991 -14.979 1.00 60.14 C ATOM 1377 CE1 TYR A 92 17.021 -5.135 -12.993 1.00 75.52 C ATOM 1378 CE2 TYR A 92 17.710 -6.246 -14.998 1.00 11.30 C ATOM 1379 CZ TYR A 92 17.942 -5.319 -14.003 1.00 30.10 C ATOM 1380 OH TYR A 92 19.099 -4.574 -14.019 1.00 15.43 O ATOM 0 H TYR A 92 11.934 -6.447 -13.326 1.00 14.45 H new ATOM 0 HA TYR A 92 13.682 -6.593 -15.713 1.00 53.23 H new ATOM 0 HB2 TYR A 92 13.965 -7.708 -12.932 1.00 51.11 H new ATOM 0 HB3 TYR A 92 14.562 -8.662 -14.275 1.00 51.11 H new ATOM 0 HD1 TYR A 92 15.142 -5.740 -12.190 1.00 20.51 H new ATOM 0 HD2 TYR A 92 16.368 -7.715 -15.760 1.00 60.14 H new ATOM 0 HE1 TYR A 92 17.205 -4.408 -12.215 1.00 75.52 H new ATOM 0 HE2 TYR A 92 18.433 -6.388 -15.787 1.00 11.30 H new ATOM 0 HH TYR A 92 19.562 -4.708 -14.872 1.00 15.43 H new ATOM 1390 N ILE A 93 11.975 -8.154 -16.625 1.00 13.42 N ATOM 1391 CA ILE A 93 11.121 -9.172 -17.224 1.00 11.20 C ATOM 1392 C ILE A 93 11.799 -10.538 -17.206 1.00 14.31 C ATOM 1393 O ILE A 93 12.689 -10.812 -18.011 1.00 0.24 O ATOM 1394 CB ILE A 93 10.752 -8.814 -18.676 1.00 15.24 C ATOM 1395 CG1 ILE A 93 10.059 -7.451 -18.727 1.00 55.42 C ATOM 1396 CG2 ILE A 93 9.860 -9.890 -19.276 1.00 71.32 C ATOM 1397 CD1 ILE A 93 9.985 -6.863 -20.119 1.00 14.41 C ATOM 0 H ILE A 93 12.265 -7.415 -17.266 1.00 13.42 H new ATOM 0 HA ILE A 93 10.211 -9.212 -16.626 1.00 11.20 H new ATOM 0 HB ILE A 93 11.667 -8.758 -19.265 1.00 15.24 H new ATOM 0 HG12 ILE A 93 9.049 -7.551 -18.329 1.00 55.42 H new ATOM 0 HG13 ILE A 93 10.591 -6.757 -18.076 1.00 55.42 H new ATOM 0 HG21 ILE A 93 9.608 -9.623 -20.302 1.00 71.32 H new ATOM 0 HG22 ILE A 93 10.386 -10.845 -19.268 1.00 71.32 H new ATOM 0 HG23 ILE A 93 8.946 -9.975 -18.688 1.00 71.32 H new ATOM 0 HD11 ILE A 93 9.481 -5.897 -20.080 1.00 14.41 H new ATOM 0 HD12 ILE A 93 10.993 -6.731 -20.512 1.00 14.41 H new ATOM 0 HD13 ILE A 93 9.427 -7.537 -20.769 1.00 14.41 H new ATOM 1409 N VAL A 94 11.370 -11.393 -16.283 1.00 13.10 N ATOM 1410 CA VAL A 94 11.930 -12.734 -16.164 1.00 3.44 C ATOM 1411 C VAL A 94 10.922 -13.791 -16.598 1.00 62.44 C ATOM 1412 O VAL A 94 9.736 -13.701 -16.280 1.00 2.00 O ATOM 1413 CB VAL A 94 12.377 -13.029 -14.719 1.00 52.43 C ATOM 1414 CG1 VAL A 94 13.001 -14.413 -14.625 1.00 53.43 C ATOM 1415 CG2 VAL A 94 13.348 -11.963 -14.234 1.00 51.12 C ATOM 0 H VAL A 94 10.636 -11.181 -15.607 1.00 13.10 H new ATOM 0 HA VAL A 94 12.799 -12.774 -16.821 1.00 3.44 H new ATOM 0 HB VAL A 94 11.499 -13.008 -14.074 1.00 52.43 H new ATOM 0 HG11 VAL A 94 13.311 -14.604 -13.597 1.00 53.43 H new ATOM 0 HG12 VAL A 94 12.271 -15.163 -14.929 1.00 53.43 H new ATOM 0 HG13 VAL A 94 13.870 -14.466 -15.281 1.00 53.43 H new ATOM 0 HG21 VAL A 94 13.653 -12.187 -13.212 1.00 51.12 H new ATOM 0 HG22 VAL A 94 14.226 -11.949 -14.880 1.00 51.12 H new ATOM 0 HG23 VAL A 94 12.862 -10.988 -14.262 1.00 51.12 H new ATOM 1425 N ILE A 95 11.402 -14.794 -17.327 1.00 11.31 N ATOM 1426 CA ILE A 95 10.543 -15.870 -17.804 1.00 53.03 C ATOM 1427 C ILE A 95 10.811 -17.165 -17.046 1.00 65.41 C ATOM 1428 O ILE A 95 11.880 -17.762 -17.174 1.00 10.40 O ATOM 1429 CB ILE A 95 10.738 -16.120 -19.311 1.00 64.23 C ATOM 1430 CG1 ILE A 95 10.443 -14.846 -20.105 1.00 14.12 C ATOM 1431 CG2 ILE A 95 9.847 -17.261 -19.779 1.00 11.11 C ATOM 1432 CD1 ILE A 95 9.016 -14.364 -19.964 1.00 34.00 C ATOM 0 H ILE A 95 12.381 -14.883 -17.600 1.00 11.31 H new ATOM 0 HA ILE A 95 9.515 -15.555 -17.627 1.00 53.03 H new ATOM 0 HB ILE A 95 11.777 -16.401 -19.485 1.00 64.23 H new ATOM 0 HG12 ILE A 95 11.119 -14.057 -19.775 1.00 14.12 H new ATOM 0 HG13 ILE A 95 10.655 -15.027 -21.159 1.00 14.12 H new ATOM 0 HG21 ILE A 95 9.997 -17.425 -20.846 1.00 11.11 H new ATOM 0 HG22 ILE A 95 10.102 -18.169 -19.233 1.00 11.11 H new ATOM 0 HG23 ILE A 95 8.803 -17.007 -19.594 1.00 11.11 H new ATOM 0 HD11 ILE A 95 8.878 -13.457 -20.553 1.00 34.00 H new ATOM 0 HD12 ILE A 95 8.334 -15.136 -20.321 1.00 34.00 H new ATOM 0 HD13 ILE A 95 8.806 -14.151 -18.916 1.00 34.00 H new ATOM 1444 N GLY A 96 9.832 -17.597 -16.257 1.00 4.04 N ATOM 1445 CA GLY A 96 9.982 -18.820 -15.489 1.00 45.44 C ATOM 1446 C GLY A 96 11.209 -18.798 -14.599 1.00 31.42 C ATOM 1447 O GLY A 96 11.763 -17.736 -14.319 1.00 4.54 O ATOM 0 H GLY A 96 8.938 -17.122 -16.136 1.00 4.04 H new ATOM 0 HA2 GLY A 96 9.094 -18.971 -14.875 1.00 45.44 H new ATOM 0 HA3 GLY A 96 10.046 -19.668 -16.171 1.00 45.44 H new ATOM 1451 N VAL A 97 11.633 -19.976 -14.151 1.00 4.45 N ATOM 1452 CA VAL A 97 12.802 -20.088 -13.285 1.00 75.24 C ATOM 1453 C VAL A 97 13.674 -21.271 -13.691 1.00 42.44 C ATOM 1454 O VAL A 97 13.213 -22.197 -14.357 1.00 14.33 O ATOM 1455 CB VAL A 97 12.393 -20.249 -11.809 1.00 1.20 C ATOM 1456 CG1 VAL A 97 11.689 -18.996 -11.310 1.00 44.02 C ATOM 1457 CG2 VAL A 97 11.509 -21.474 -11.631 1.00 54.45 C ATOM 0 H VAL A 97 11.185 -20.865 -14.373 1.00 4.45 H new ATOM 0 HA VAL A 97 13.370 -19.165 -13.398 1.00 75.24 H new ATOM 0 HB VAL A 97 13.295 -20.391 -11.214 1.00 1.20 H new ATOM 0 HG11 VAL A 97 11.407 -19.128 -10.265 1.00 44.02 H new ATOM 0 HG12 VAL A 97 12.360 -18.142 -11.400 1.00 44.02 H new ATOM 0 HG13 VAL A 97 10.794 -18.819 -11.907 1.00 44.02 H new ATOM 0 HG21 VAL A 97 11.230 -21.572 -10.582 1.00 54.45 H new ATOM 0 HG22 VAL A 97 10.610 -21.365 -12.237 1.00 54.45 H new ATOM 0 HG23 VAL A 97 12.053 -22.364 -11.946 1.00 54.45 H new ATOM 1467 N GLY A 98 14.940 -21.232 -13.285 1.00 73.23 N ATOM 1468 CA GLY A 98 15.858 -22.307 -13.616 1.00 13.52 C ATOM 1469 C GLY A 98 17.301 -21.846 -13.649 1.00 44.10 C ATOM 1470 O GLY A 98 17.638 -20.798 -13.098 1.00 75.12 O ATOM 0 H GLY A 98 15.346 -20.476 -12.733 1.00 73.23 H new ATOM 0 HA2 GLY A 98 15.752 -23.109 -12.885 1.00 13.52 H new ATOM 0 HA3 GLY A 98 15.590 -22.723 -14.587 1.00 13.52 H new ATOM 1474 N GLU A 99 18.157 -22.632 -14.295 1.00 41.54 N ATOM 1475 CA GLU A 99 19.573 -22.299 -14.395 1.00 42.42 C ATOM 1476 C GLU A 99 19.826 -21.336 -15.552 1.00 54.10 C ATOM 1477 O GLU A 99 20.680 -20.454 -15.466 1.00 1.42 O ATOM 1478 CB GLU A 99 20.406 -23.568 -14.583 1.00 25.13 C ATOM 1479 CG GLU A 99 21.893 -23.302 -14.746 1.00 5.34 C ATOM 1480 CD GLU A 99 22.746 -24.496 -14.362 1.00 14.25 C ATOM 1481 OE1 GLU A 99 23.476 -24.402 -13.353 1.00 24.40 O ATOM 1482 OE2 GLU A 99 22.682 -25.523 -15.069 1.00 1.22 O ATOM 0 H GLU A 99 17.895 -23.503 -14.756 1.00 41.54 H new ATOM 0 HA GLU A 99 19.871 -21.811 -13.467 1.00 42.42 H new ATOM 0 HB2 GLU A 99 20.255 -24.222 -13.724 1.00 25.13 H new ATOM 0 HB3 GLU A 99 20.043 -24.104 -15.460 1.00 25.13 H new ATOM 0 HG2 GLU A 99 22.098 -23.032 -15.782 1.00 5.34 H new ATOM 0 HG3 GLU A 99 22.175 -22.447 -14.132 1.00 5.34 H new ATOM 1489 N LYS A 100 19.076 -21.512 -16.635 1.00 24.50 N ATOM 1490 CA LYS A 100 19.216 -20.660 -17.810 1.00 30.32 C ATOM 1491 C LYS A 100 18.196 -19.526 -17.784 1.00 31.51 C ATOM 1492 O LYS A 100 17.698 -19.101 -18.827 1.00 31.35 O ATOM 1493 CB LYS A 100 19.045 -21.486 -19.087 1.00 53.52 C ATOM 1494 CG LYS A 100 19.773 -20.907 -20.288 1.00 4.34 C ATOM 1495 CD LYS A 100 21.261 -21.212 -20.237 1.00 41.30 C ATOM 1496 CE LYS A 100 21.552 -22.640 -20.670 1.00 63.25 C ATOM 1497 NZ LYS A 100 21.438 -22.806 -22.146 1.00 24.30 N ATOM 0 H LYS A 100 18.365 -22.238 -16.723 1.00 24.50 H new ATOM 0 HA LYS A 100 20.216 -20.226 -17.797 1.00 30.32 H new ATOM 0 HB2 LYS A 100 19.407 -22.498 -18.906 1.00 53.52 H new ATOM 0 HB3 LYS A 100 17.983 -21.564 -19.320 1.00 53.52 H new ATOM 0 HG2 LYS A 100 19.348 -21.316 -21.205 1.00 4.34 H new ATOM 0 HG3 LYS A 100 19.623 -19.828 -20.321 1.00 4.34 H new ATOM 0 HD2 LYS A 100 21.798 -20.518 -20.884 1.00 41.30 H new ATOM 0 HD3 LYS A 100 21.631 -21.055 -19.224 1.00 41.30 H new ATOM 0 HE2 LYS A 100 22.556 -22.919 -20.350 1.00 63.25 H new ATOM 0 HE3 LYS A 100 20.858 -23.319 -20.173 1.00 63.25 H new ATOM 0 HZ1 LYS A 100 21.805 -23.740 -22.420 1.00 24.30 H new ATOM 0 HZ2 LYS A 100 20.440 -22.730 -22.428 1.00 24.30 H new ATOM 0 HZ3 LYS A 100 21.990 -22.064 -22.622 1.00 24.30 H new ATOM 1511 N LYS A 101 17.890 -19.039 -16.586 1.00 71.42 N ATOM 1512 CA LYS A 101 16.933 -17.952 -16.424 1.00 14.32 C ATOM 1513 C LYS A 101 17.288 -16.775 -17.326 1.00 41.44 C ATOM 1514 O LYS A 101 18.459 -16.422 -17.469 1.00 42.40 O ATOM 1515 CB LYS A 101 16.892 -17.494 -14.964 1.00 33.41 C ATOM 1516 CG LYS A 101 16.011 -18.360 -14.080 1.00 22.43 C ATOM 1517 CD LYS A 101 16.245 -18.071 -12.606 1.00 75.23 C ATOM 1518 CE LYS A 101 14.951 -17.696 -11.900 1.00 53.44 C ATOM 1519 NZ LYS A 101 15.202 -16.894 -10.671 1.00 23.55 N ATOM 0 H LYS A 101 18.292 -19.381 -15.713 1.00 71.42 H new ATOM 0 HA LYS A 101 15.949 -18.323 -16.710 1.00 14.32 H new ATOM 0 HB2 LYS A 101 17.906 -17.493 -14.563 1.00 33.41 H new ATOM 0 HB3 LYS A 101 16.533 -16.466 -14.924 1.00 33.41 H new ATOM 0 HG2 LYS A 101 14.963 -18.184 -14.325 1.00 22.43 H new ATOM 0 HG3 LYS A 101 16.213 -19.412 -14.282 1.00 22.43 H new ATOM 0 HD2 LYS A 101 16.681 -18.947 -12.127 1.00 75.23 H new ATOM 0 HD3 LYS A 101 16.965 -17.260 -12.503 1.00 75.23 H new ATOM 0 HE2 LYS A 101 14.317 -17.128 -12.581 1.00 53.44 H new ATOM 0 HE3 LYS A 101 14.405 -18.602 -11.637 1.00 53.44 H new ATOM 0 HZ1 LYS A 101 14.295 -16.659 -10.219 1.00 23.55 H new ATOM 0 HZ2 LYS A 101 15.786 -17.445 -10.010 1.00 23.55 H new ATOM 0 HZ3 LYS A 101 15.700 -16.017 -10.924 1.00 23.55 H new ATOM 1533 N ILE A 102 16.271 -16.171 -17.932 1.00 1.01 N ATOM 1534 CA ILE A 102 16.477 -15.031 -18.817 1.00 1.04 C ATOM 1535 C ILE A 102 15.871 -13.762 -18.228 1.00 12.31 C ATOM 1536 O ILE A 102 14.834 -13.804 -17.565 1.00 75.44 O ATOM 1537 CB ILE A 102 15.866 -15.281 -20.208 1.00 41.41 C ATOM 1538 CG1 ILE A 102 14.342 -15.371 -20.111 1.00 53.21 C ATOM 1539 CG2 ILE A 102 16.439 -16.551 -20.818 1.00 45.12 C ATOM 1540 CD1 ILE A 102 13.664 -15.594 -21.445 1.00 15.42 C ATOM 0 H ILE A 102 15.296 -16.452 -17.826 1.00 1.01 H new ATOM 0 HA ILE A 102 17.554 -14.902 -18.921 1.00 1.04 H new ATOM 0 HB ILE A 102 16.121 -14.443 -20.856 1.00 41.41 H new ATOM 0 HG12 ILE A 102 14.076 -16.185 -19.437 1.00 53.21 H new ATOM 0 HG13 ILE A 102 13.959 -14.452 -19.667 1.00 53.21 H new ATOM 0 HG21 ILE A 102 15.997 -16.714 -21.801 1.00 45.12 H new ATOM 0 HG22 ILE A 102 17.520 -16.451 -20.918 1.00 45.12 H new ATOM 0 HG23 ILE A 102 16.211 -17.399 -20.173 1.00 45.12 H new ATOM 0 HD11 ILE A 102 12.585 -15.648 -21.300 1.00 15.42 H new ATOM 0 HD12 ILE A 102 13.900 -14.768 -22.116 1.00 15.42 H new ATOM 0 HD13 ILE A 102 14.018 -16.528 -21.882 1.00 15.42 H new ATOM 1552 N THR A 103 16.524 -12.630 -18.475 1.00 61.42 N ATOM 1553 CA THR A 103 16.050 -11.348 -17.970 1.00 63.11 C ATOM 1554 C THR A 103 16.310 -10.231 -18.975 1.00 20.52 C ATOM 1555 O THR A 103 17.208 -10.332 -19.812 1.00 11.05 O ATOM 1556 CB THR A 103 16.724 -10.987 -16.633 1.00 25.21 C ATOM 1557 OG1 THR A 103 18.121 -10.748 -16.838 1.00 4.05 O ATOM 1558 CG2 THR A 103 16.540 -12.103 -15.615 1.00 55.32 C ATOM 0 H THR A 103 17.383 -12.576 -19.022 1.00 61.42 H new ATOM 0 HA THR A 103 14.976 -11.448 -17.812 1.00 63.11 H new ATOM 0 HB THR A 103 16.253 -10.083 -16.247 1.00 25.21 H new ATOM 0 HG1 THR A 103 18.542 -10.517 -15.984 1.00 4.05 H new ATOM 0 HG21 THR A 103 17.024 -11.825 -14.679 1.00 55.32 H new ATOM 0 HG22 THR A 103 15.476 -12.264 -15.439 1.00 55.32 H new ATOM 0 HG23 THR A 103 16.987 -13.021 -15.997 1.00 55.32 H new ATOM 1566 N HIS A 104 15.519 -9.167 -18.887 1.00 2.43 N ATOM 1567 CA HIS A 104 15.666 -8.029 -19.787 1.00 42.42 C ATOM 1568 C HIS A 104 15.401 -6.717 -19.053 1.00 64.44 C ATOM 1569 O HIS A 104 14.527 -6.643 -18.189 1.00 71.35 O ATOM 1570 CB HIS A 104 14.712 -8.164 -20.974 1.00 41.02 C ATOM 1571 CG HIS A 104 14.918 -7.122 -22.030 1.00 65.44 C ATOM 1572 ND1 HIS A 104 15.998 -7.125 -22.889 1.00 14.52 N ATOM 1573 CD2 HIS A 104 14.175 -6.042 -22.366 1.00 2.15 C ATOM 1574 CE1 HIS A 104 15.910 -6.089 -23.705 1.00 61.50 C ATOM 1575 NE2 HIS A 104 14.813 -5.417 -23.409 1.00 12.33 N ATOM 0 H HIS A 104 14.770 -9.069 -18.202 1.00 2.43 H new ATOM 0 HA HIS A 104 16.692 -8.018 -20.154 1.00 42.42 H new ATOM 0 HB2 HIS A 104 14.837 -9.151 -21.420 1.00 41.02 H new ATOM 0 HB3 HIS A 104 13.685 -8.105 -20.613 1.00 41.02 H new ATOM 0 HD2 HIS A 104 13.252 -5.730 -21.900 1.00 2.15 H new ATOM 0 HE1 HIS A 104 16.616 -5.835 -24.482 1.00 61.50 H new ATOM 0 HE2 HIS A 104 14.491 -4.571 -23.879 1.00 12.33 H new ATOM 1583 N HIS A 105 16.163 -5.685 -19.402 1.00 73.25 N ATOM 1584 CA HIS A 105 16.011 -4.377 -18.775 1.00 43.05 C ATOM 1585 C HIS A 105 14.799 -3.642 -19.338 1.00 55.12 C ATOM 1586 O HIS A 105 14.713 -3.397 -20.542 1.00 13.05 O ATOM 1587 CB HIS A 105 17.273 -3.539 -18.985 1.00 13.43 C ATOM 1588 CG HIS A 105 18.508 -4.163 -18.414 1.00 25.05 C ATOM 1589 ND1 HIS A 105 19.272 -5.187 -18.863 1.00 23.31 N flip ATOM 1590 CD2 HIS A 105 19.091 -3.739 -17.238 1.00 13.25 C flip ATOM 1591 CE1 HIS A 105 20.292 -5.360 -17.960 1.00 75.33 C flip ATOM 1592 NE2 HIS A 105 20.161 -4.474 -16.989 1.00 31.41 N flip ATOM 0 H HIS A 105 16.891 -5.729 -20.115 1.00 73.25 H new ATOM 0 HA HIS A 105 15.857 -4.529 -17.707 1.00 43.05 H new ATOM 0 HB2 HIS A 105 17.418 -3.377 -20.053 1.00 13.43 H new ATOM 0 HB3 HIS A 105 17.128 -2.559 -18.531 1.00 13.43 H new ATOM 0 HD1 HIS A 105 19.118 -5.729 -19.713 1.00 23.31 H new ATOM 0 HD2 HIS A 105 18.730 -2.932 -16.617 1.00 13.25 H new ATOM 0 HE1 HIS A 105 21.075 -6.101 -18.032 1.00 75.33 H new ATOM 1600 N TRP A 106 13.864 -3.294 -18.461 1.00 5.03 N ATOM 1601 CA TRP A 106 12.657 -2.587 -18.871 1.00 15.44 C ATOM 1602 C TRP A 106 12.401 -1.381 -17.973 1.00 51.22 C ATOM 1603 O TRP A 106 12.138 -1.528 -16.779 1.00 52.12 O ATOM 1604 CB TRP A 106 11.452 -3.529 -18.835 1.00 42.21 C ATOM 1605 CG TRP A 106 10.152 -2.841 -19.122 1.00 34.51 C ATOM 1606 CD1 TRP A 106 9.011 -2.899 -18.373 1.00 23.34 C ATOM 1607 CD2 TRP A 106 9.858 -1.995 -20.238 1.00 52.44 C ATOM 1608 NE1 TRP A 106 8.026 -2.139 -18.956 1.00 63.40 N ATOM 1609 CE2 TRP A 106 8.521 -1.573 -20.101 1.00 73.42 C ATOM 1610 CE3 TRP A 106 10.595 -1.550 -21.339 1.00 54.52 C ATOM 1611 CZ2 TRP A 106 7.908 -0.731 -21.025 1.00 13.45 C ATOM 1612 CZ3 TRP A 106 9.985 -0.713 -22.255 1.00 34.42 C ATOM 1613 CH2 TRP A 106 8.652 -0.310 -22.093 1.00 24.22 C ATOM 0 H TRP A 106 13.919 -3.490 -17.462 1.00 5.03 H new ATOM 0 HA TRP A 106 12.803 -2.233 -19.892 1.00 15.44 H new ATOM 0 HB2 TRP A 106 11.601 -4.326 -19.563 1.00 42.21 H new ATOM 0 HB3 TRP A 106 11.397 -4.000 -17.853 1.00 42.21 H new ATOM 0 HD1 TRP A 106 8.900 -3.460 -17.457 1.00 23.34 H new ATOM 0 HE1 TRP A 106 7.080 -2.016 -18.595 1.00 63.40 H new ATOM 0 HE3 TRP A 106 11.623 -1.854 -21.472 1.00 54.52 H new ATOM 0 HZ2 TRP A 106 6.881 -0.421 -20.903 1.00 13.45 H new ATOM 0 HZ3 TRP A 106 10.545 -0.364 -23.110 1.00 34.42 H new ATOM 0 HH2 TRP A 106 8.204 0.345 -22.825 1.00 24.22 H new ATOM 1624 N HIS A 107 12.479 -0.188 -18.555 1.00 24.20 N ATOM 1625 CA HIS A 107 12.256 1.044 -17.807 1.00 33.33 C ATOM 1626 C HIS A 107 11.540 2.080 -18.668 1.00 11.03 C ATOM 1627 O HIS A 107 11.779 2.173 -19.872 1.00 22.13 O ATOM 1628 CB HIS A 107 13.585 1.610 -17.306 1.00 71.22 C ATOM 1629 CG HIS A 107 14.516 2.015 -18.407 1.00 61.42 C ATOM 1630 ND1 HIS A 107 15.278 1.112 -19.118 1.00 64.11 N ATOM 1631 CD2 HIS A 107 14.804 3.234 -18.919 1.00 63.15 C ATOM 1632 CE1 HIS A 107 15.997 1.759 -20.019 1.00 35.41 C ATOM 1633 NE2 HIS A 107 15.727 3.048 -19.919 1.00 71.24 N ATOM 0 H HIS A 107 12.695 -0.049 -19.542 1.00 24.20 H new ATOM 0 HA HIS A 107 11.624 0.810 -16.950 1.00 33.33 H new ATOM 0 HB2 HIS A 107 13.387 2.475 -16.673 1.00 71.22 H new ATOM 0 HB3 HIS A 107 14.076 0.864 -16.682 1.00 71.22 H new ATOM 0 HD2 HIS A 107 14.386 4.178 -18.601 1.00 63.15 H new ATOM 0 HE1 HIS A 107 16.687 1.310 -20.718 1.00 35.41 H new ATOM 0 HE2 HIS A 107 16.137 3.786 -20.492 1.00 71.24 H new ATOM 1641 N ARG A 108 10.661 2.856 -18.043 1.00 14.25 N ATOM 1642 CA ARG A 108 9.908 3.884 -18.752 1.00 61.42 C ATOM 1643 C ARG A 108 10.713 5.176 -18.852 1.00 64.21 C ATOM 1644 O ARG A 108 11.540 5.472 -17.989 1.00 54.41 O ATOM 1645 CB ARG A 108 8.578 4.152 -18.045 1.00 5.10 C ATOM 1646 CG ARG A 108 8.733 4.526 -16.580 1.00 34.53 C ATOM 1647 CD ARG A 108 7.595 5.419 -16.110 1.00 21.21 C ATOM 1648 NE ARG A 108 7.873 6.020 -14.808 1.00 43.24 N ATOM 1649 CZ ARG A 108 7.181 7.036 -14.305 1.00 51.02 C ATOM 1650 NH1 ARG A 108 6.174 7.561 -14.990 1.00 64.35 N ATOM 1651 NH2 ARG A 108 7.494 7.529 -13.114 1.00 25.23 N ATOM 0 H ARG A 108 10.452 2.793 -17.047 1.00 14.25 H new ATOM 0 HA ARG A 108 9.708 3.522 -19.760 1.00 61.42 H new ATOM 0 HB2 ARG A 108 8.056 4.956 -18.563 1.00 5.10 H new ATOM 0 HB3 ARG A 108 7.950 3.264 -18.120 1.00 5.10 H new ATOM 0 HG2 ARG A 108 8.761 3.621 -15.973 1.00 34.53 H new ATOM 0 HG3 ARG A 108 9.684 5.038 -16.433 1.00 34.53 H new ATOM 0 HD2 ARG A 108 7.425 6.207 -16.844 1.00 21.21 H new ATOM 0 HD3 ARG A 108 6.677 4.835 -16.051 1.00 21.21 H new ATOM 0 HE ARG A 108 8.640 5.639 -14.255 1.00 43.24 H new ATOM 0 HH11 ARG A 108 5.929 7.185 -15.906 1.00 64.35 H new ATOM 0 HH12 ARG A 108 5.644 8.341 -14.601 1.00 64.35 H new ATOM 0 HH21 ARG A 108 8.267 7.128 -12.583 1.00 25.23 H new ATOM 0 HH22 ARG A 108 6.962 8.309 -12.729 1.00 25.23 H new