USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 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 Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 16:sc= -0.297! USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.0518 (180deg=-0.34) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0577 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 37 GLN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 38 TYR OH : rot -172:sc= -0.586 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 147:sc= -1.31 (180deg=-3.45!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 171:sc= -0.336 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 66 THR OG1 : rot 140:sc= -0.626 USER MOD Single : A 68 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.9!) USER MOD Single : A 78 SER OG : rot 160:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -132:sc= -0.298 (180deg=-1.61!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.146 (180deg=-0.431) 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 :FLIP no HD1:sc= -0.498 F(o=-2,f=-0.5) USER MOD Single : A 105 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-1.8!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 13.183 -22.233 -13.509 1.00 62.55 N ATOM 257 CA ALA A 17 13.317 -20.802 -13.269 1.00 24.21 C ATOM 258 C ALA A 17 12.953 -20.000 -14.513 1.00 44.25 C ATOM 259 O ALA A 17 13.101 -20.478 -15.638 1.00 62.42 O ATOM 260 CB ALA A 17 14.734 -20.473 -12.822 1.00 11.32 C ATOM 0 HA ALA A 17 12.623 -20.525 -12.475 1.00 24.21 H new ATOM 0 HB1 ALA A 17 14.820 -19.401 -12.646 1.00 11.32 H new ATOM 0 HB2 ALA A 17 14.959 -21.011 -11.901 1.00 11.32 H new ATOM 0 HB3 ALA A 17 15.439 -20.771 -13.598 1.00 11.32 H new ATOM 266 N PHE A 18 12.476 -18.777 -14.305 1.00 21.20 N ATOM 267 CA PHE A 18 12.088 -17.909 -15.411 1.00 5.04 C ATOM 268 C PHE A 18 13.199 -16.915 -15.737 1.00 2.34 C ATOM 269 O PHE A 18 13.928 -16.468 -14.851 1.00 5.53 O ATOM 270 CB PHE A 18 10.800 -17.158 -15.069 1.00 50.45 C ATOM 271 CG PHE A 18 9.706 -18.048 -14.554 1.00 55.11 C ATOM 272 CD1 PHE A 18 9.434 -18.120 -13.197 1.00 41.03 C ATOM 273 CD2 PHE A 18 8.948 -18.813 -15.427 1.00 24.15 C ATOM 274 CE1 PHE A 18 8.427 -18.938 -12.720 1.00 4.12 C ATOM 275 CE2 PHE A 18 7.940 -19.632 -14.955 1.00 23.41 C ATOM 276 CZ PHE A 18 7.680 -19.696 -13.600 1.00 2.12 C ATOM 0 H PHE A 18 12.349 -18.365 -13.381 1.00 21.20 H new ATOM 0 HA PHE A 18 11.915 -18.533 -16.288 1.00 5.04 H new ATOM 0 HB2 PHE A 18 11.021 -16.397 -14.321 1.00 50.45 H new ATOM 0 HB3 PHE A 18 10.445 -16.637 -15.959 1.00 50.45 H new ATOM 0 HD1 PHE A 18 10.016 -17.530 -12.504 1.00 41.03 H new ATOM 0 HD2 PHE A 18 9.147 -18.768 -16.487 1.00 24.15 H new ATOM 0 HE1 PHE A 18 8.225 -18.984 -11.660 1.00 4.12 H new ATOM 0 HE2 PHE A 18 7.356 -20.222 -15.646 1.00 23.41 H new ATOM 0 HZ PHE A 18 6.894 -20.338 -13.229 1.00 2.12 H new ATOM 286 N THR A 19 13.323 -16.573 -17.015 1.00 53.34 N ATOM 287 CA THR A 19 14.343 -15.632 -17.460 1.00 23.12 C ATOM 288 C THR A 19 13.930 -14.944 -18.756 1.00 12.35 C ATOM 289 O THR A 19 13.588 -15.602 -19.738 1.00 50.13 O ATOM 290 CB THR A 19 15.698 -16.333 -17.674 1.00 2.00 C ATOM 291 OG1 THR A 19 15.489 -17.671 -18.139 1.00 44.03 O ATOM 292 CG2 THR A 19 16.504 -16.359 -16.384 1.00 32.22 C ATOM 0 H THR A 19 12.729 -16.934 -17.761 1.00 53.34 H new ATOM 0 HA THR A 19 14.448 -14.885 -16.673 1.00 23.12 H new ATOM 0 HB THR A 19 16.258 -15.772 -18.422 1.00 2.00 H new ATOM 0 HG1 THR A 19 16.355 -18.109 -18.274 1.00 44.03 H new ATOM 0 HG21 THR A 19 17.456 -16.859 -16.560 1.00 32.22 H new ATOM 0 HG22 THR A 19 16.687 -15.338 -16.048 1.00 32.22 H new ATOM 0 HG23 THR A 19 15.947 -16.899 -15.618 1.00 32.22 H new ATOM 300 N PHE A 20 13.964 -13.615 -18.751 1.00 74.21 N ATOM 301 CA PHE A 20 13.593 -12.837 -19.928 1.00 30.25 C ATOM 302 C PHE A 20 14.409 -13.267 -21.143 1.00 42.10 C ATOM 303 O PHE A 20 15.603 -13.550 -21.036 1.00 50.11 O ATOM 304 CB PHE A 20 13.798 -11.344 -19.663 1.00 63.21 C ATOM 305 CG PHE A 20 12.690 -10.719 -18.866 1.00 55.51 C ATOM 306 CD1 PHE A 20 11.447 -10.498 -19.437 1.00 73.24 C ATOM 307 CD2 PHE A 20 12.890 -10.350 -17.545 1.00 64.25 C ATOM 308 CE1 PHE A 20 10.424 -9.923 -18.707 1.00 21.04 C ATOM 309 CE2 PHE A 20 11.872 -9.775 -16.810 1.00 34.13 C ATOM 310 CZ PHE A 20 10.637 -9.560 -17.391 1.00 64.13 C ATOM 0 H PHE A 20 14.244 -13.055 -17.946 1.00 74.21 H new ATOM 0 HA PHE A 20 12.539 -13.020 -20.137 1.00 30.25 H new ATOM 0 HB2 PHE A 20 14.740 -11.203 -19.133 1.00 63.21 H new ATOM 0 HB3 PHE A 20 13.888 -10.823 -20.616 1.00 63.21 H new ATOM 0 HD1 PHE A 20 11.275 -10.779 -20.466 1.00 73.24 H new ATOM 0 HD2 PHE A 20 13.853 -10.514 -17.085 1.00 64.25 H new ATOM 0 HE1 PHE A 20 9.460 -9.758 -19.164 1.00 21.04 H new ATOM 0 HE2 PHE A 20 12.041 -9.493 -15.781 1.00 34.13 H new ATOM 0 HZ PHE A 20 9.840 -9.109 -16.818 1.00 64.13 H new ATOM 320 N THR A 21 13.756 -13.314 -22.300 1.00 63.12 N ATOM 321 CA THR A 21 14.420 -13.709 -23.537 1.00 13.55 C ATOM 322 C THR A 21 14.378 -12.585 -24.566 1.00 11.34 C ATOM 323 O THR A 21 15.378 -12.291 -25.221 1.00 30.11 O ATOM 324 CB THR A 21 13.774 -14.969 -24.143 1.00 4.10 C ATOM 325 OG1 THR A 21 12.359 -14.946 -23.928 1.00 31.42 O ATOM 326 CG2 THR A 21 14.366 -16.229 -23.529 1.00 11.42 C ATOM 0 H THR A 21 12.768 -13.084 -22.407 1.00 63.12 H new ATOM 0 HA THR A 21 15.457 -13.928 -23.284 1.00 13.55 H new ATOM 0 HB THR A 21 13.978 -14.976 -25.214 1.00 4.10 H new ATOM 0 HG1 THR A 21 12.081 -14.040 -23.678 1.00 31.42 H new ATOM 0 HG21 THR A 21 13.894 -17.106 -23.972 1.00 11.42 H new ATOM 0 HG22 THR A 21 15.439 -16.258 -23.721 1.00 11.42 H new ATOM 0 HG23 THR A 21 14.190 -16.227 -22.453 1.00 11.42 H new ATOM 334 N LYS A 22 13.215 -11.958 -24.703 1.00 54.40 N ATOM 335 CA LYS A 22 13.042 -10.864 -25.652 1.00 34.11 C ATOM 336 C LYS A 22 12.869 -9.535 -24.924 1.00 41.44 C ATOM 337 O LYS A 22 11.811 -9.260 -24.358 1.00 10.52 O ATOM 338 CB LYS A 22 11.831 -11.127 -26.550 1.00 34.33 C ATOM 339 CG LYS A 22 11.915 -10.441 -27.902 1.00 0.52 C ATOM 340 CD LYS A 22 11.063 -11.149 -28.942 1.00 25.54 C ATOM 341 CE LYS A 22 11.590 -10.912 -30.349 1.00 34.22 C ATOM 342 NZ LYS A 22 12.900 -11.583 -30.571 1.00 63.24 N ATOM 0 H LYS A 22 12.377 -12.189 -24.169 1.00 54.40 H new ATOM 0 HA LYS A 22 13.939 -10.806 -26.269 1.00 34.11 H new ATOM 0 HB2 LYS A 22 11.729 -12.201 -26.703 1.00 34.33 H new ATOM 0 HB3 LYS A 22 10.930 -10.791 -26.037 1.00 34.33 H new ATOM 0 HG2 LYS A 22 11.588 -9.406 -27.806 1.00 0.52 H new ATOM 0 HG3 LYS A 22 12.953 -10.418 -28.235 1.00 0.52 H new ATOM 0 HD2 LYS A 22 11.047 -12.219 -28.734 1.00 25.54 H new ATOM 0 HD3 LYS A 22 10.034 -10.795 -28.873 1.00 25.54 H new ATOM 0 HE2 LYS A 22 10.865 -11.281 -31.075 1.00 34.22 H new ATOM 0 HE3 LYS A 22 11.697 -9.841 -30.521 1.00 34.22 H new ATOM 0 HZ1 LYS A 22 13.049 -11.724 -31.590 1.00 63.24 H new ATOM 0 HZ2 LYS A 22 13.663 -10.990 -30.188 1.00 63.24 H new ATOM 0 HZ3 LYS A 22 12.904 -12.505 -30.090 1.00 63.24 H new ATOM 356 N ILE A 23 13.914 -8.714 -24.946 1.00 12.14 N ATOM 357 CA ILE A 23 13.876 -7.412 -24.290 1.00 75.53 C ATOM 358 C ILE A 23 12.695 -6.583 -24.783 1.00 74.23 C ATOM 359 O ILE A 23 12.440 -6.472 -25.983 1.00 33.33 O ATOM 360 CB ILE A 23 15.177 -6.624 -24.528 1.00 51.00 C ATOM 361 CG1 ILE A 23 16.385 -7.436 -24.056 1.00 34.22 C ATOM 362 CG2 ILE A 23 15.122 -5.282 -23.813 1.00 34.42 C ATOM 363 CD1 ILE A 23 16.321 -7.818 -22.594 1.00 23.25 C ATOM 0 H ILE A 23 14.797 -8.927 -25.411 1.00 12.14 H new ATOM 0 HA ILE A 23 13.765 -7.599 -23.222 1.00 75.53 H new ATOM 0 HB ILE A 23 15.282 -6.440 -25.597 1.00 51.00 H new ATOM 0 HG12 ILE A 23 16.461 -8.342 -24.657 1.00 34.22 H new ATOM 0 HG13 ILE A 23 17.292 -6.859 -24.233 1.00 34.22 H new ATOM 0 HG21 ILE A 23 16.049 -4.737 -23.991 1.00 34.42 H new ATOM 0 HG22 ILE A 23 14.281 -4.702 -24.193 1.00 34.42 H new ATOM 0 HG23 ILE A 23 14.997 -5.445 -22.743 1.00 34.42 H new ATOM 0 HD11 ILE A 23 17.209 -8.392 -22.329 1.00 23.25 H new ATOM 0 HD12 ILE A 23 16.276 -6.916 -21.984 1.00 23.25 H new ATOM 0 HD13 ILE A 23 15.432 -8.422 -22.414 1.00 23.25 H new ATOM 375 N PRO A 24 11.956 -5.984 -23.837 1.00 62.32 N ATOM 376 CA PRO A 24 10.791 -5.152 -24.151 1.00 41.13 C ATOM 377 C PRO A 24 11.181 -3.837 -24.818 1.00 12.01 C ATOM 378 O PRO A 24 11.950 -3.053 -24.263 1.00 23.20 O ATOM 379 CB PRO A 24 10.162 -4.891 -22.781 1.00 11.45 C ATOM 380 CG PRO A 24 11.288 -5.025 -21.815 1.00 23.51 C ATOM 381 CD PRO A 24 12.202 -6.073 -22.388 1.00 60.11 C ATOM 0 HA PRO A 24 10.119 -5.640 -24.857 1.00 41.13 H new ATOM 0 HB2 PRO A 24 9.716 -3.898 -22.733 1.00 11.45 H new ATOM 0 HB3 PRO A 24 9.369 -5.608 -22.567 1.00 11.45 H new ATOM 0 HG2 PRO A 24 11.811 -4.077 -21.691 1.00 23.51 H new ATOM 0 HG3 PRO A 24 10.925 -5.320 -20.831 1.00 23.51 H new ATOM 0 HD2 PRO A 24 13.245 -5.873 -22.144 1.00 60.11 H new ATOM 0 HD3 PRO A 24 11.969 -7.065 -22.001 1.00 60.11 H new ATOM 389 N ALA A 25 10.644 -3.602 -26.011 1.00 3.22 N ATOM 390 CA ALA A 25 10.935 -2.381 -26.752 1.00 12.43 C ATOM 391 C ALA A 25 9.673 -1.816 -27.395 1.00 41.43 C ATOM 392 O ALA A 25 8.876 -2.554 -27.973 1.00 22.55 O ATOM 393 CB ALA A 25 11.996 -2.645 -27.809 1.00 41.05 C ATOM 0 H ALA A 25 10.005 -4.241 -26.485 1.00 3.22 H new ATOM 0 HA ALA A 25 11.316 -1.640 -26.049 1.00 12.43 H new ATOM 0 HB1 ALA A 25 12.203 -1.724 -28.354 1.00 41.05 H new ATOM 0 HB2 ALA A 25 12.909 -2.995 -27.328 1.00 41.05 H new ATOM 0 HB3 ALA A 25 11.637 -3.405 -28.503 1.00 41.05 H new ATOM 399 N GLU A 26 9.498 -0.502 -27.291 1.00 3.11 N ATOM 400 CA GLU A 26 8.332 0.161 -27.863 1.00 30.34 C ATOM 401 C GLU A 26 8.565 0.500 -29.332 1.00 11.10 C ATOM 402 O GLU A 26 9.702 0.690 -29.765 1.00 60.43 O ATOM 403 CB GLU A 26 8.006 1.434 -27.079 1.00 60.01 C ATOM 404 CG GLU A 26 6.544 1.841 -27.159 1.00 62.45 C ATOM 405 CD GLU A 26 6.256 3.132 -26.418 1.00 62.41 C ATOM 406 OE1 GLU A 26 5.859 3.060 -25.236 1.00 54.33 O ATOM 407 OE2 GLU A 26 6.428 4.213 -27.019 1.00 71.41 O ATOM 0 H GLU A 26 10.149 0.124 -26.816 1.00 3.11 H new ATOM 0 HA GLU A 26 7.487 -0.524 -27.796 1.00 30.34 H new ATOM 0 HB2 GLU A 26 8.276 1.286 -26.034 1.00 60.01 H new ATOM 0 HB3 GLU A 26 8.623 2.250 -27.455 1.00 60.01 H new ATOM 0 HG2 GLU A 26 6.259 1.956 -28.205 1.00 62.45 H new ATOM 0 HG3 GLU A 26 5.926 1.044 -26.746 1.00 62.45 H new ATOM 414 N THR A 27 7.479 0.575 -30.095 1.00 70.14 N ATOM 415 CA THR A 27 7.563 0.892 -31.515 1.00 64.35 C ATOM 416 C THR A 27 6.716 2.111 -31.858 1.00 53.41 C ATOM 417 O THR A 27 6.083 2.706 -30.984 1.00 74.44 O ATOM 418 CB THR A 27 7.108 -0.296 -32.384 1.00 61.11 C ATOM 419 OG1 THR A 27 7.411 -0.041 -33.760 1.00 70.32 O ATOM 420 CG2 THR A 27 5.615 -0.542 -32.225 1.00 42.22 C ATOM 0 H THR A 27 6.531 0.420 -29.753 1.00 70.14 H new ATOM 0 HA THR A 27 8.610 1.109 -31.728 1.00 64.35 H new ATOM 0 HB THR A 27 7.644 -1.186 -32.054 1.00 61.11 H new ATOM 0 HG1 THR A 27 7.120 -0.802 -34.305 1.00 70.32 H new ATOM 0 HG21 THR A 27 5.317 -1.385 -32.848 1.00 42.22 H new ATOM 0 HG22 THR A 27 5.392 -0.765 -31.182 1.00 42.22 H new ATOM 0 HG23 THR A 27 5.065 0.348 -32.531 1.00 42.22 H new ATOM 428 N LEU A 28 6.707 2.480 -33.134 1.00 52.22 N ATOM 429 CA LEU A 28 5.936 3.631 -33.593 1.00 31.32 C ATOM 430 C LEU A 28 4.463 3.481 -33.225 1.00 61.35 C ATOM 431 O LEU A 28 3.762 4.470 -33.010 1.00 4.15 O ATOM 432 CB LEU A 28 6.081 3.796 -35.107 1.00 5.45 C ATOM 433 CG LEU A 28 7.251 4.662 -35.578 1.00 33.23 C ATOM 434 CD1 LEU A 28 8.564 4.134 -35.021 1.00 72.11 C ATOM 435 CD2 LEU A 28 7.296 4.715 -37.098 1.00 25.32 C ATOM 0 H LEU A 28 7.225 1.999 -33.870 1.00 52.22 H new ATOM 0 HA LEU A 28 6.327 4.520 -33.098 1.00 31.32 H new ATOM 0 HB2 LEU A 28 6.185 2.806 -35.552 1.00 5.45 H new ATOM 0 HB3 LEU A 28 5.158 4.225 -35.496 1.00 5.45 H new ATOM 0 HG LEU A 28 7.103 5.675 -35.203 1.00 33.23 H new ATOM 0 HD11 LEU A 28 9.385 4.762 -35.367 1.00 72.11 H new ATOM 0 HD12 LEU A 28 8.529 4.149 -33.932 1.00 72.11 H new ATOM 0 HD13 LEU A 28 8.720 3.112 -35.365 1.00 72.11 H new ATOM 0 HD21 LEU A 28 8.134 5.335 -37.416 1.00 25.32 H new ATOM 0 HD22 LEU A 28 7.420 3.707 -37.494 1.00 25.32 H new ATOM 0 HD23 LEU A 28 6.366 5.141 -37.475 1.00 25.32 H new ATOM 447 N HIS A 29 4.000 2.237 -33.154 1.00 71.22 N ATOM 448 CA HIS A 29 2.611 1.957 -32.808 1.00 71.11 C ATOM 449 C HIS A 29 2.338 2.289 -31.344 1.00 41.43 C ATOM 450 O HIS A 29 1.217 2.638 -30.975 1.00 25.41 O ATOM 451 CB HIS A 29 2.281 0.489 -33.080 1.00 25.33 C ATOM 452 CG HIS A 29 0.858 0.259 -33.484 1.00 12.20 C ATOM 453 ND1 HIS A 29 0.396 0.472 -34.766 1.00 14.25 N ATOM 454 CD2 HIS A 29 -0.208 -0.169 -32.768 1.00 21.23 C ATOM 455 CE1 HIS A 29 -0.893 0.187 -34.820 1.00 30.43 C ATOM 456 NE2 HIS A 29 -1.284 -0.206 -33.620 1.00 44.44 N ATOM 0 H HIS A 29 4.566 1.407 -33.331 1.00 71.22 H new ATOM 0 HA HIS A 29 1.974 2.586 -33.430 1.00 71.11 H new ATOM 0 HB2 HIS A 29 2.938 0.117 -33.867 1.00 25.33 H new ATOM 0 HB3 HIS A 29 2.494 -0.095 -32.184 1.00 25.33 H new ATOM 0 HD2 HIS A 29 -0.211 -0.433 -31.721 1.00 21.23 H new ATOM 0 HE1 HIS A 29 -1.521 0.262 -35.696 1.00 30.43 H new ATOM 0 HE2 HIS A 29 -2.231 -0.490 -33.368 1.00 44.44 H new ATOM 464 N GLY A 30 3.371 2.179 -30.515 1.00 22.45 N ATOM 465 CA GLY A 30 3.221 2.469 -29.101 1.00 24.45 C ATOM 466 C GLY A 30 2.860 1.239 -28.292 1.00 21.35 C ATOM 467 O GLY A 30 1.928 1.266 -27.487 1.00 54.25 O ATOM 0 H GLY A 30 4.309 1.894 -30.797 1.00 22.45 H new ATOM 0 HA2 GLY A 30 4.151 2.891 -28.719 1.00 24.45 H new ATOM 0 HA3 GLY A 30 2.449 3.227 -28.969 1.00 24.45 H new ATOM 471 N THR A 31 3.599 0.154 -28.505 1.00 34.04 N ATOM 472 CA THR A 31 3.349 -1.093 -27.792 1.00 2.41 C ATOM 473 C THR A 31 4.645 -1.862 -27.559 1.00 54.25 C ATOM 474 O THR A 31 5.549 -1.841 -28.394 1.00 61.14 O ATOM 475 CB THR A 31 2.363 -1.992 -28.561 1.00 14.53 C ATOM 476 OG1 THR A 31 2.910 -2.341 -29.837 1.00 3.32 O ATOM 477 CG2 THR A 31 1.027 -1.289 -28.752 1.00 33.44 C ATOM 0 H THR A 31 4.375 0.114 -29.165 1.00 34.04 H new ATOM 0 HA THR A 31 2.911 -0.825 -26.831 1.00 2.41 H new ATOM 0 HB THR A 31 2.200 -2.898 -27.977 1.00 14.53 H new ATOM 0 HG1 THR A 31 2.277 -2.914 -30.318 1.00 3.32 H new ATOM 0 HG21 THR A 31 0.347 -1.943 -29.298 1.00 33.44 H new ATOM 0 HG22 THR A 31 0.599 -1.051 -27.778 1.00 33.44 H new ATOM 0 HG23 THR A 31 1.177 -0.369 -29.317 1.00 33.44 H new ATOM 485 N VAL A 32 4.728 -2.541 -26.420 1.00 31.01 N ATOM 486 CA VAL A 32 5.913 -3.319 -26.079 1.00 33.25 C ATOM 487 C VAL A 32 5.562 -4.786 -25.859 1.00 30.51 C ATOM 488 O VAL A 32 4.535 -5.109 -25.260 1.00 3.31 O ATOM 489 CB VAL A 32 6.598 -2.772 -24.813 1.00 3.43 C ATOM 490 CG1 VAL A 32 5.717 -2.988 -23.592 1.00 1.11 C ATOM 491 CG2 VAL A 32 7.959 -3.423 -24.620 1.00 64.22 C ATOM 0 H VAL A 32 3.989 -2.568 -25.718 1.00 31.01 H new ATOM 0 HA VAL A 32 6.600 -3.235 -26.921 1.00 33.25 H new ATOM 0 HB VAL A 32 6.748 -1.700 -24.938 1.00 3.43 H new ATOM 0 HG11 VAL A 32 6.218 -2.595 -22.708 1.00 1.11 H new ATOM 0 HG12 VAL A 32 4.768 -2.470 -23.732 1.00 1.11 H new ATOM 0 HG13 VAL A 32 5.532 -4.054 -23.461 1.00 1.11 H new ATOM 0 HG21 VAL A 32 8.429 -3.025 -23.721 1.00 64.22 H new ATOM 0 HG22 VAL A 32 7.835 -4.501 -24.518 1.00 64.22 H new ATOM 0 HG23 VAL A 32 8.590 -3.211 -25.483 1.00 64.22 H new ATOM 501 N THR A 33 6.422 -5.675 -26.348 1.00 3.54 N ATOM 502 CA THR A 33 6.204 -7.108 -26.206 1.00 31.54 C ATOM 503 C THR A 33 7.241 -7.733 -25.279 1.00 73.52 C ATOM 504 O THR A 33 8.391 -7.297 -25.233 1.00 53.54 O ATOM 505 CB THR A 33 6.254 -7.822 -27.570 1.00 23.23 C ATOM 506 OG1 THR A 33 7.605 -7.886 -28.040 1.00 4.42 O ATOM 507 CG2 THR A 33 5.390 -7.099 -28.591 1.00 40.43 C ATOM 0 H THR A 33 7.277 -5.426 -26.846 1.00 3.54 H new ATOM 0 HA THR A 33 5.211 -7.235 -25.774 1.00 31.54 H new ATOM 0 HB THR A 33 5.867 -8.833 -27.441 1.00 23.23 H new ATOM 0 HG1 THR A 33 7.629 -8.343 -28.907 1.00 4.42 H new ATOM 0 HG21 THR A 33 5.441 -7.622 -29.546 1.00 40.43 H new ATOM 0 HG22 THR A 33 4.357 -7.078 -28.244 1.00 40.43 H new ATOM 0 HG23 THR A 33 5.752 -6.078 -28.716 1.00 40.43 H new ATOM 515 N VAL A 34 6.827 -8.759 -24.542 1.00 70.41 N ATOM 516 CA VAL A 34 7.721 -9.447 -23.618 1.00 43.23 C ATOM 517 C VAL A 34 7.744 -10.947 -23.889 1.00 51.11 C ATOM 518 O VAL A 34 6.709 -11.553 -24.163 1.00 71.34 O ATOM 519 CB VAL A 34 7.308 -9.207 -22.154 1.00 43.20 C ATOM 520 CG1 VAL A 34 7.212 -7.717 -21.864 1.00 12.14 C ATOM 521 CG2 VAL A 34 5.990 -9.904 -21.852 1.00 3.24 C ATOM 0 H VAL A 34 5.878 -9.132 -24.567 1.00 70.41 H new ATOM 0 HA VAL A 34 8.718 -9.037 -23.778 1.00 43.23 H new ATOM 0 HB VAL A 34 8.074 -9.630 -21.504 1.00 43.20 H new ATOM 0 HG11 VAL A 34 6.919 -7.567 -20.825 1.00 12.14 H new ATOM 0 HG12 VAL A 34 8.181 -7.249 -22.039 1.00 12.14 H new ATOM 0 HG13 VAL A 34 6.467 -7.266 -22.520 1.00 12.14 H new ATOM 0 HG21 VAL A 34 5.713 -9.724 -20.813 1.00 3.24 H new ATOM 0 HG22 VAL A 34 5.213 -9.512 -22.508 1.00 3.24 H new ATOM 0 HG23 VAL A 34 6.099 -10.976 -22.018 1.00 3.24 H new ATOM 531 N GLU A 35 8.931 -11.539 -23.810 1.00 24.34 N ATOM 532 CA GLU A 35 9.088 -12.970 -24.045 1.00 51.23 C ATOM 533 C GLU A 35 9.954 -13.608 -22.963 1.00 45.23 C ATOM 534 O GLU A 35 11.022 -13.096 -22.625 1.00 13.02 O ATOM 535 CB GLU A 35 9.707 -13.218 -25.422 1.00 45.43 C ATOM 536 CG GLU A 35 9.210 -14.486 -26.094 1.00 61.41 C ATOM 537 CD GLU A 35 10.125 -14.953 -27.210 1.00 52.31 C ATOM 538 OE1 GLU A 35 9.605 -15.376 -28.264 1.00 24.41 O ATOM 539 OE2 GLU A 35 11.359 -14.894 -27.030 1.00 30.21 O ATOM 0 H GLU A 35 9.798 -11.051 -23.585 1.00 24.34 H new ATOM 0 HA GLU A 35 8.100 -13.428 -24.011 1.00 51.23 H new ATOM 0 HB2 GLU A 35 9.490 -12.366 -26.067 1.00 45.43 H new ATOM 0 HB3 GLU A 35 10.791 -13.272 -25.319 1.00 45.43 H new ATOM 0 HG2 GLU A 35 9.120 -15.276 -25.349 1.00 61.41 H new ATOM 0 HG3 GLU A 35 8.212 -14.312 -26.496 1.00 61.41 H new ATOM 546 N VAL A 36 9.487 -14.729 -22.424 1.00 31.04 N ATOM 547 CA VAL A 36 10.219 -15.439 -21.381 1.00 54.22 C ATOM 548 C VAL A 36 10.593 -16.846 -21.834 1.00 5.45 C ATOM 549 O VAL A 36 10.187 -17.291 -22.906 1.00 64.43 O ATOM 550 CB VAL A 36 9.396 -15.531 -20.082 1.00 25.10 C ATOM 551 CG1 VAL A 36 9.079 -14.142 -19.551 1.00 12.40 C ATOM 552 CG2 VAL A 36 8.121 -16.326 -20.315 1.00 32.54 C ATOM 0 H VAL A 36 8.605 -15.166 -22.692 1.00 31.04 H new ATOM 0 HA VAL A 36 11.128 -14.869 -21.187 1.00 54.22 H new ATOM 0 HB VAL A 36 9.990 -16.053 -19.332 1.00 25.10 H new ATOM 0 HG11 VAL A 36 8.497 -14.227 -18.633 1.00 12.40 H new ATOM 0 HG12 VAL A 36 10.008 -13.611 -19.344 1.00 12.40 H new ATOM 0 HG13 VAL A 36 8.504 -13.591 -20.295 1.00 12.40 H new ATOM 0 HG21 VAL A 36 7.552 -16.381 -19.387 1.00 32.54 H new ATOM 0 HG22 VAL A 36 7.520 -15.834 -21.080 1.00 32.54 H new ATOM 0 HG23 VAL A 36 8.375 -17.333 -20.645 1.00 32.54 H new ATOM 562 N GLN A 37 11.370 -17.539 -21.008 1.00 21.53 N ATOM 563 CA GLN A 37 11.800 -18.896 -21.324 1.00 25.31 C ATOM 564 C GLN A 37 11.315 -19.882 -20.266 1.00 3.21 C ATOM 565 O GLN A 37 11.894 -19.981 -19.184 1.00 0.13 O ATOM 566 CB GLN A 37 13.325 -18.958 -21.434 1.00 51.32 C ATOM 567 CG GLN A 37 13.822 -20.013 -22.409 1.00 24.14 C ATOM 568 CD GLN A 37 15.086 -19.591 -23.131 1.00 45.11 C ATOM 569 OE1 GLN A 37 15.203 -19.750 -24.347 1.00 2.15 O ATOM 570 NE2 GLN A 37 16.042 -19.049 -22.385 1.00 50.22 N ATOM 0 H GLN A 37 11.714 -17.184 -20.116 1.00 21.53 H new ATOM 0 HA GLN A 37 11.361 -19.175 -22.282 1.00 25.31 H new ATOM 0 HB2 GLN A 37 13.698 -17.983 -21.746 1.00 51.32 H new ATOM 0 HB3 GLN A 37 13.744 -19.160 -20.448 1.00 51.32 H new ATOM 0 HG2 GLN A 37 14.009 -20.941 -21.869 1.00 24.14 H new ATOM 0 HG3 GLN A 37 13.042 -20.222 -23.141 1.00 24.14 H new ATOM 0 HE21 GLN A 37 15.903 -18.936 -21.381 1.00 50.22 H new ATOM 0 HE22 GLN A 37 16.915 -18.746 -22.816 1.00 50.22 H new ATOM 579 N TYR A 38 10.250 -20.608 -20.585 1.00 60.05 N ATOM 580 CA TYR A 38 9.685 -21.584 -19.661 1.00 63.23 C ATOM 581 C TYR A 38 10.340 -22.950 -19.844 1.00 43.10 C ATOM 582 O TYR A 38 9.983 -23.706 -20.747 1.00 22.23 O ATOM 583 CB TYR A 38 8.174 -21.699 -19.869 1.00 21.15 C ATOM 584 CG TYR A 38 7.372 -20.735 -19.024 1.00 20.45 C ATOM 585 CD1 TYR A 38 6.212 -21.146 -18.378 1.00 71.34 C ATOM 586 CD2 TYR A 38 7.773 -19.414 -18.871 1.00 24.10 C ATOM 587 CE1 TYR A 38 5.475 -20.269 -17.606 1.00 23.31 C ATOM 588 CE2 TYR A 38 7.044 -18.531 -18.099 1.00 51.42 C ATOM 589 CZ TYR A 38 5.896 -18.963 -17.469 1.00 13.31 C ATOM 590 OH TYR A 38 5.166 -18.085 -16.700 1.00 75.35 O ATOM 0 H TYR A 38 9.760 -20.539 -21.477 1.00 60.05 H new ATOM 0 HA TYR A 38 9.880 -21.240 -18.645 1.00 63.23 H new ATOM 0 HB2 TYR A 38 7.946 -21.524 -20.920 1.00 21.15 H new ATOM 0 HB3 TYR A 38 7.861 -22.718 -19.640 1.00 21.15 H new ATOM 0 HD1 TYR A 38 5.881 -22.169 -18.481 1.00 71.34 H new ATOM 0 HD2 TYR A 38 8.671 -19.071 -19.364 1.00 24.10 H new ATOM 0 HE1 TYR A 38 4.575 -20.604 -17.113 1.00 23.31 H new ATOM 0 HE2 TYR A 38 7.371 -17.508 -17.989 1.00 51.42 H new ATOM 0 HH TYR A 38 5.524 -17.179 -16.808 1.00 75.35 H new ATOM 600 N ALA A 39 11.301 -23.258 -18.979 1.00 61.42 N ATOM 601 CA ALA A 39 12.004 -24.534 -19.041 1.00 42.34 C ATOM 602 C ALA A 39 11.162 -25.655 -18.442 1.00 1.33 C ATOM 603 O ALA A 39 10.593 -26.472 -19.164 1.00 41.45 O ATOM 604 CB ALA A 39 13.342 -24.434 -18.324 1.00 21.32 C ATOM 0 H ALA A 39 11.610 -22.642 -18.227 1.00 61.42 H new ATOM 0 HA ALA A 39 12.183 -24.772 -20.090 1.00 42.34 H new ATOM 0 HB1 ALA A 39 13.856 -25.394 -18.378 1.00 21.32 H new ATOM 0 HB2 ALA A 39 13.953 -23.667 -18.800 1.00 21.32 H new ATOM 0 HB3 ALA A 39 13.176 -24.169 -17.280 1.00 21.32 H new ATOM 675 N LYS A 46 -0.627 -21.503 -17.325 1.00 20.13 N ATOM 676 CA LYS A 46 -0.856 -20.086 -17.582 1.00 71.42 C ATOM 677 C LYS A 46 0.418 -19.279 -17.353 1.00 55.23 C ATOM 678 O LYS A 46 1.170 -19.540 -16.414 1.00 53.13 O ATOM 679 CB LYS A 46 -1.976 -19.558 -16.683 1.00 71.10 C ATOM 680 CG LYS A 46 -2.616 -18.279 -17.196 1.00 25.34 C ATOM 681 CD LYS A 46 -3.648 -17.742 -16.219 1.00 10.21 C ATOM 682 CE LYS A 46 -2.991 -16.988 -15.072 1.00 74.33 C ATOM 683 NZ LYS A 46 -3.975 -16.615 -14.019 1.00 12.33 N ATOM 0 HA LYS A 46 -1.153 -19.975 -18.625 1.00 71.42 H new ATOM 0 HB2 LYS A 46 -2.744 -20.325 -16.585 1.00 71.10 H new ATOM 0 HB3 LYS A 46 -1.576 -19.379 -15.685 1.00 71.10 H new ATOM 0 HG2 LYS A 46 -1.845 -17.527 -17.363 1.00 25.34 H new ATOM 0 HG3 LYS A 46 -3.090 -18.469 -18.159 1.00 25.34 H new ATOM 0 HD2 LYS A 46 -4.337 -17.080 -16.743 1.00 10.21 H new ATOM 0 HD3 LYS A 46 -4.239 -18.567 -15.822 1.00 10.21 H new ATOM 0 HE2 LYS A 46 -2.206 -17.605 -14.634 1.00 74.33 H new ATOM 0 HE3 LYS A 46 -2.511 -16.088 -15.456 1.00 74.33 H new ATOM 0 HZ1 LYS A 46 -3.489 -16.103 -13.255 1.00 12.33 H new ATOM 0 HZ2 LYS A 46 -4.710 -16.006 -14.431 1.00 12.33 H new ATOM 0 HZ3 LYS A 46 -4.414 -17.475 -13.634 1.00 12.33 H new ATOM 697 N VAL A 47 0.653 -18.296 -18.217 1.00 11.24 N ATOM 698 CA VAL A 47 1.835 -17.449 -18.107 1.00 54.22 C ATOM 699 C VAL A 47 1.465 -16.050 -17.628 1.00 3.52 C ATOM 700 O VAL A 47 1.138 -15.162 -18.416 1.00 62.42 O ATOM 701 CB VAL A 47 2.574 -17.340 -19.454 1.00 55.32 C ATOM 702 CG1 VAL A 47 3.826 -16.488 -19.309 1.00 74.21 C ATOM 703 CG2 VAL A 47 2.918 -18.723 -19.986 1.00 0.30 C ATOM 0 H VAL A 47 0.041 -18.067 -19.000 1.00 11.24 H new ATOM 0 HA VAL A 47 2.494 -17.918 -17.376 1.00 54.22 H new ATOM 0 HB VAL A 47 1.914 -16.853 -20.173 1.00 55.32 H new ATOM 0 HG11 VAL A 47 4.335 -16.422 -20.271 1.00 74.21 H new ATOM 0 HG12 VAL A 47 3.549 -15.488 -18.976 1.00 74.21 H new ATOM 0 HG13 VAL A 47 4.493 -16.943 -18.576 1.00 74.21 H new ATOM 0 HG21 VAL A 47 3.440 -18.627 -20.938 1.00 0.30 H new ATOM 0 HG22 VAL A 47 3.559 -19.239 -19.271 1.00 0.30 H new ATOM 0 HG23 VAL A 47 2.002 -19.296 -20.130 1.00 0.30 H new ATOM 713 N PRO A 48 1.518 -15.845 -16.303 1.00 45.33 N ATOM 714 CA PRO A 48 1.194 -14.554 -15.688 1.00 63.22 C ATOM 715 C PRO A 48 2.240 -13.487 -15.994 1.00 31.30 C ATOM 716 O PRO A 48 3.437 -13.771 -16.034 1.00 74.21 O ATOM 717 CB PRO A 48 1.175 -14.870 -14.191 1.00 33.05 C ATOM 718 CG PRO A 48 2.063 -16.056 -14.042 1.00 24.41 C ATOM 719 CD PRO A 48 1.900 -16.857 -15.304 1.00 72.12 C ATOM 0 HA PRO A 48 0.255 -14.147 -16.064 1.00 63.22 H new ATOM 0 HB2 PRO A 48 1.539 -14.027 -13.604 1.00 33.05 H new ATOM 0 HB3 PRO A 48 0.164 -15.086 -13.845 1.00 33.05 H new ATOM 0 HG2 PRO A 48 3.101 -15.752 -13.904 1.00 24.41 H new ATOM 0 HG3 PRO A 48 1.785 -16.644 -13.168 1.00 24.41 H new ATOM 0 HD2 PRO A 48 2.824 -17.365 -15.580 1.00 72.12 H new ATOM 0 HD3 PRO A 48 1.134 -17.625 -15.197 1.00 72.12 H new ATOM 727 N ALA A 49 1.780 -12.259 -16.209 1.00 1.05 N ATOM 728 CA ALA A 49 2.676 -11.149 -16.508 1.00 63.34 C ATOM 729 C ALA A 49 2.027 -9.812 -16.168 1.00 24.01 C ATOM 730 O ALA A 49 0.964 -9.478 -16.689 1.00 34.31 O ATOM 731 CB ALA A 49 3.085 -11.182 -17.974 1.00 11.04 C ATOM 0 H ALA A 49 0.792 -12.008 -16.182 1.00 1.05 H new ATOM 0 HA ALA A 49 3.567 -11.257 -15.890 1.00 63.34 H new ATOM 0 HB1 ALA A 49 3.754 -10.348 -18.184 1.00 11.04 H new ATOM 0 HB2 ALA A 49 3.597 -12.120 -18.188 1.00 11.04 H new ATOM 0 HB3 ALA A 49 2.197 -11.102 -18.601 1.00 11.04 H new ATOM 737 N GLN A 50 2.675 -9.052 -15.291 1.00 14.25 N ATOM 738 CA GLN A 50 2.159 -7.751 -14.881 1.00 11.11 C ATOM 739 C GLN A 50 3.272 -6.708 -14.854 1.00 33.34 C ATOM 740 O GLN A 50 4.454 -7.048 -14.861 1.00 23.50 O ATOM 741 CB GLN A 50 1.503 -7.850 -13.503 1.00 14.22 C ATOM 742 CG GLN A 50 0.576 -6.687 -13.185 1.00 71.34 C ATOM 743 CD GLN A 50 -0.178 -6.880 -11.884 1.00 65.01 C ATOM 744 OE1 GLN A 50 -0.898 -7.863 -11.710 1.00 61.42 O ATOM 745 NE2 GLN A 50 -0.015 -5.940 -10.961 1.00 0.33 N ATOM 0 H GLN A 50 3.557 -9.314 -14.851 1.00 14.25 H new ATOM 0 HA GLN A 50 1.411 -7.439 -15.610 1.00 11.11 H new ATOM 0 HB2 GLN A 50 0.938 -8.780 -13.445 1.00 14.22 H new ATOM 0 HB3 GLN A 50 2.282 -7.902 -12.742 1.00 14.22 H new ATOM 0 HG2 GLN A 50 1.159 -5.768 -13.130 1.00 71.34 H new ATOM 0 HG3 GLN A 50 -0.138 -6.563 -13.999 1.00 71.34 H new ATOM 0 HE21 GLN A 50 0.592 -5.142 -11.148 1.00 0.33 H new ATOM 0 HE22 GLN A 50 -0.496 -6.016 -10.065 1.00 0.33 H new ATOM 754 N MET A 51 2.884 -5.437 -14.822 1.00 63.44 N ATOM 755 CA MET A 51 3.850 -4.345 -14.793 1.00 21.03 C ATOM 756 C MET A 51 3.401 -3.248 -13.832 1.00 60.25 C ATOM 757 O MET A 51 2.227 -2.882 -13.800 1.00 12.41 O ATOM 758 CB MET A 51 4.039 -3.765 -16.196 1.00 1.23 C ATOM 759 CG MET A 51 2.870 -2.913 -16.664 1.00 22.24 C ATOM 760 SD MET A 51 2.521 -3.118 -18.421 1.00 3.12 S ATOM 761 CE MET A 51 1.634 -4.674 -18.411 1.00 11.33 C ATOM 0 H MET A 51 1.909 -5.138 -14.816 1.00 63.44 H new ATOM 0 HA MET A 51 4.802 -4.744 -14.442 1.00 21.03 H new ATOM 0 HB2 MET A 51 4.947 -3.162 -16.212 1.00 1.23 H new ATOM 0 HB3 MET A 51 4.187 -4.583 -16.901 1.00 1.23 H new ATOM 0 HG2 MET A 51 1.982 -3.174 -16.088 1.00 22.24 H new ATOM 0 HG3 MET A 51 3.085 -1.864 -16.460 1.00 22.24 H new ATOM 0 HE1 MET A 51 0.883 -4.670 -19.201 1.00 11.33 H new ATOM 0 HE2 MET A 51 2.334 -5.493 -18.579 1.00 11.33 H new ATOM 0 HE3 MET A 51 1.144 -4.808 -17.446 1.00 11.33 H new ATOM 771 N ALA A 52 4.343 -2.729 -13.052 1.00 41.11 N ATOM 772 CA ALA A 52 4.044 -1.673 -12.093 1.00 21.02 C ATOM 773 C ALA A 52 5.318 -0.971 -11.634 1.00 72.21 C ATOM 774 O ALA A 52 6.329 -1.617 -11.357 1.00 12.44 O ATOM 775 CB ALA A 52 3.293 -2.242 -10.898 1.00 64.51 C ATOM 0 H ALA A 52 5.320 -3.023 -13.065 1.00 41.11 H new ATOM 0 HA ALA A 52 3.412 -0.936 -12.588 1.00 21.02 H new ATOM 0 HB1 ALA A 52 3.076 -1.442 -10.190 1.00 64.51 H new ATOM 0 HB2 ALA A 52 2.359 -2.691 -11.235 1.00 64.51 H new ATOM 0 HB3 ALA A 52 3.905 -3.001 -10.411 1.00 64.51 H new ATOM 781 N VAL A 53 5.263 0.355 -11.557 1.00 75.30 N ATOM 782 CA VAL A 53 6.412 1.144 -11.131 1.00 51.43 C ATOM 783 C VAL A 53 6.853 0.758 -9.724 1.00 63.12 C ATOM 784 O VAL A 53 8.045 0.755 -9.415 1.00 60.12 O ATOM 785 CB VAL A 53 6.100 2.652 -11.164 1.00 11.33 C ATOM 786 CG1 VAL A 53 5.922 3.130 -12.597 1.00 12.33 C ATOM 787 CG2 VAL A 53 4.862 2.958 -10.333 1.00 64.24 C ATOM 0 H VAL A 53 4.435 0.905 -11.784 1.00 75.30 H new ATOM 0 HA VAL A 53 7.219 0.932 -11.832 1.00 51.43 H new ATOM 0 HB VAL A 53 6.943 3.189 -10.730 1.00 11.33 H new ATOM 0 HG11 VAL A 53 5.702 4.198 -12.600 1.00 12.33 H new ATOM 0 HG12 VAL A 53 6.838 2.947 -13.158 1.00 12.33 H new ATOM 0 HG13 VAL A 53 5.098 2.589 -13.061 1.00 12.33 H new ATOM 0 HG21 VAL A 53 4.656 4.028 -10.367 1.00 64.24 H new ATOM 0 HG22 VAL A 53 4.009 2.411 -10.736 1.00 64.24 H new ATOM 0 HG23 VAL A 53 5.033 2.654 -9.300 1.00 64.24 H new ATOM 797 N ASP A 54 5.885 0.432 -8.875 1.00 41.01 N ATOM 798 CA ASP A 54 6.173 0.041 -7.500 1.00 4.40 C ATOM 799 C ASP A 54 6.365 -1.468 -7.393 1.00 35.24 C ATOM 800 O ASP A 54 5.736 -2.236 -8.120 1.00 32.41 O ATOM 801 CB ASP A 54 5.045 0.492 -6.572 1.00 14.42 C ATOM 802 CG ASP A 54 5.006 1.998 -6.396 1.00 61.20 C ATOM 803 OD1 ASP A 54 6.018 2.659 -6.713 1.00 33.54 O ATOM 804 OD2 ASP A 54 3.964 2.515 -5.943 1.00 1.33 O ATOM 0 H ASP A 54 4.894 0.431 -9.115 1.00 41.01 H new ATOM 0 HA ASP A 54 7.099 0.529 -7.196 1.00 4.40 H new ATOM 0 HB2 ASP A 54 4.090 0.151 -6.973 1.00 14.42 H new ATOM 0 HB3 ASP A 54 5.169 0.019 -5.598 1.00 14.42 H new ATOM 809 N MET A 55 7.237 -1.886 -6.481 1.00 42.34 N ATOM 810 CA MET A 55 7.512 -3.304 -6.280 1.00 52.30 C ATOM 811 C MET A 55 6.783 -3.829 -5.047 1.00 5.32 C ATOM 812 O MET A 55 6.310 -4.964 -5.032 1.00 72.42 O ATOM 813 CB MET A 55 9.017 -3.538 -6.136 1.00 73.33 C ATOM 814 CG MET A 55 9.748 -3.627 -7.466 1.00 53.01 C ATOM 815 SD MET A 55 11.484 -4.074 -7.276 1.00 1.12 S ATOM 816 CE MET A 55 12.227 -2.459 -7.055 1.00 61.14 C ATOM 0 H MET A 55 7.765 -1.263 -5.870 1.00 42.34 H new ATOM 0 HA MET A 55 7.150 -3.847 -7.153 1.00 52.30 H new ATOM 0 HB2 MET A 55 9.448 -2.728 -5.547 1.00 73.33 H new ATOM 0 HB3 MET A 55 9.181 -4.460 -5.578 1.00 73.33 H new ATOM 0 HG2 MET A 55 9.254 -4.364 -8.099 1.00 53.01 H new ATOM 0 HG3 MET A 55 9.678 -2.668 -7.980 1.00 53.01 H new ATOM 0 HE1 MET A 55 13.304 -2.569 -6.924 1.00 61.14 H new ATOM 0 HE2 MET A 55 12.029 -1.844 -7.933 1.00 61.14 H new ATOM 0 HE3 MET A 55 11.801 -1.980 -6.173 1.00 61.14 H new ATOM 826 N GLN A 56 6.699 -2.995 -4.015 1.00 52.13 N ATOM 827 CA GLN A 56 6.028 -3.377 -2.778 1.00 52.53 C ATOM 828 C GLN A 56 4.518 -3.459 -2.981 1.00 4.32 C ATOM 829 O GLN A 56 3.867 -4.390 -2.507 1.00 31.22 O ATOM 830 CB GLN A 56 6.352 -2.375 -1.668 1.00 35.51 C ATOM 831 CG GLN A 56 6.078 -2.907 -0.270 1.00 74.44 C ATOM 832 CD GLN A 56 6.390 -1.893 0.812 1.00 51.32 C ATOM 833 OE1 GLN A 56 7.485 -1.885 1.374 1.00 44.31 O ATOM 834 NE2 GLN A 56 5.426 -1.029 1.110 1.00 62.11 N ATOM 0 H GLN A 56 7.087 -2.052 -4.011 1.00 52.13 H new ATOM 0 HA GLN A 56 6.391 -4.362 -2.486 1.00 52.53 H new ATOM 0 HB2 GLN A 56 7.402 -2.092 -1.741 1.00 35.51 H new ATOM 0 HB3 GLN A 56 5.766 -1.469 -1.825 1.00 35.51 H new ATOM 0 HG2 GLN A 56 5.031 -3.201 -0.196 1.00 74.44 H new ATOM 0 HG3 GLN A 56 6.674 -3.805 -0.104 1.00 74.44 H new ATOM 0 HE21 GLN A 56 4.533 -1.072 0.619 1.00 62.11 H new ATOM 0 HE22 GLN A 56 5.579 -0.323 1.830 1.00 62.11 H new ATOM 843 N THR A 57 3.967 -2.477 -3.688 1.00 33.40 N ATOM 844 CA THR A 57 2.534 -2.438 -3.953 1.00 21.21 C ATOM 845 C THR A 57 2.205 -3.083 -5.295 1.00 2.24 C ATOM 846 O THR A 57 1.256 -3.859 -5.406 1.00 34.42 O ATOM 847 CB THR A 57 2.001 -0.993 -3.946 1.00 32.20 C ATOM 848 OG1 THR A 57 2.920 -0.129 -4.623 1.00 54.34 O ATOM 849 CG2 THR A 57 1.789 -0.501 -2.522 1.00 64.21 C ATOM 0 H THR A 57 4.491 -1.698 -4.087 1.00 33.40 H new ATOM 0 HA THR A 57 2.049 -3.000 -3.155 1.00 21.21 H new ATOM 0 HB THR A 57 1.042 -0.980 -4.464 1.00 32.20 H new ATOM 0 HG1 THR A 57 2.511 0.753 -4.744 1.00 54.34 H new ATOM 0 HG21 THR A 57 1.412 0.522 -2.543 1.00 64.21 H new ATOM 0 HG22 THR A 57 1.067 -1.144 -2.019 1.00 64.21 H new ATOM 0 HG23 THR A 57 2.736 -0.528 -1.983 1.00 64.21 H new ATOM 857 N LEU A 58 2.995 -2.757 -6.311 1.00 65.15 N ATOM 858 CA LEU A 58 2.788 -3.305 -7.647 1.00 64.34 C ATOM 859 C LEU A 58 1.369 -3.032 -8.134 1.00 51.12 C ATOM 860 O LEU A 58 0.702 -3.919 -8.667 1.00 74.14 O ATOM 861 CB LEU A 58 3.060 -4.811 -7.650 1.00 54.31 C ATOM 862 CG LEU A 58 4.529 -5.228 -7.588 1.00 24.14 C ATOM 863 CD1 LEU A 58 4.671 -6.583 -6.912 1.00 3.14 C ATOM 864 CD2 LEU A 58 5.134 -5.261 -8.984 1.00 3.44 C ATOM 0 H LEU A 58 3.785 -2.116 -6.236 1.00 65.15 H new ATOM 0 HA LEU A 58 3.486 -2.815 -8.326 1.00 64.34 H new ATOM 0 HB2 LEU A 58 2.541 -5.255 -6.801 1.00 54.31 H new ATOM 0 HB3 LEU A 58 2.620 -5.238 -8.551 1.00 54.31 H new ATOM 0 HG LEU A 58 5.071 -4.491 -6.996 1.00 24.14 H new ATOM 0 HD11 LEU A 58 5.724 -6.864 -6.877 1.00 3.14 H new ATOM 0 HD12 LEU A 58 4.276 -6.527 -5.897 1.00 3.14 H new ATOM 0 HD13 LEU A 58 4.115 -7.331 -7.477 1.00 3.14 H new ATOM 0 HD21 LEU A 58 6.180 -5.560 -8.920 1.00 3.44 H new ATOM 0 HD22 LEU A 58 4.589 -5.977 -9.600 1.00 3.44 H new ATOM 0 HD23 LEU A 58 5.067 -4.270 -9.433 1.00 3.44 H new ATOM 876 N THR A 59 0.913 -1.797 -7.949 1.00 52.12 N ATOM 877 CA THR A 59 -0.426 -1.406 -8.371 1.00 13.42 C ATOM 878 C THR A 59 -0.678 -1.785 -9.826 1.00 24.34 C ATOM 879 O THR A 59 0.222 -1.751 -10.666 1.00 31.55 O ATOM 880 CB THR A 59 -0.648 0.109 -8.202 1.00 11.31 C ATOM 881 OG1 THR A 59 -1.823 0.515 -8.913 1.00 61.33 O ATOM 882 CG2 THR A 59 0.554 0.892 -8.709 1.00 55.13 C ATOM 0 H THR A 59 1.452 -1.050 -7.510 1.00 52.12 H new ATOM 0 HA THR A 59 -1.127 -1.943 -7.732 1.00 13.42 H new ATOM 0 HB THR A 59 -0.776 0.319 -7.140 1.00 11.31 H new ATOM 0 HG1 THR A 59 -1.958 1.479 -8.799 1.00 61.33 H new ATOM 0 HG21 THR A 59 0.374 1.959 -8.579 1.00 55.13 H new ATOM 0 HG22 THR A 59 1.441 0.602 -8.145 1.00 55.13 H new ATOM 0 HG23 THR A 59 0.709 0.676 -9.766 1.00 55.13 H new ATOM 890 N PRO A 60 -1.930 -2.156 -10.134 1.00 5.55 N ATOM 891 CA PRO A 60 -2.328 -2.548 -11.488 1.00 54.25 C ATOM 892 C PRO A 60 -2.335 -1.369 -12.455 1.00 43.52 C ATOM 893 O PRO A 60 -3.286 -0.587 -12.491 1.00 65.31 O ATOM 894 CB PRO A 60 -3.747 -3.090 -11.298 1.00 21.44 C ATOM 895 CG PRO A 60 -4.250 -2.411 -10.071 1.00 33.32 C ATOM 896 CD PRO A 60 -3.052 -2.219 -9.183 1.00 32.13 C ATOM 0 HA PRO A 60 -1.636 -3.269 -11.923 1.00 54.25 H new ATOM 0 HB2 PRO A 60 -4.375 -2.866 -12.160 1.00 21.44 H new ATOM 0 HB3 PRO A 60 -3.744 -4.173 -11.178 1.00 21.44 H new ATOM 0 HG2 PRO A 60 -4.712 -1.454 -10.316 1.00 33.32 H new ATOM 0 HG3 PRO A 60 -5.011 -3.014 -9.575 1.00 33.32 H new ATOM 0 HD2 PRO A 60 -3.131 -1.306 -8.593 1.00 32.13 H new ATOM 0 HD3 PRO A 60 -2.937 -3.044 -8.479 1.00 32.13 H new ATOM 904 N VAL A 61 -1.268 -1.245 -13.238 1.00 62.54 N ATOM 905 CA VAL A 61 -1.152 -0.163 -14.208 1.00 71.13 C ATOM 906 C VAL A 61 -0.952 -0.708 -15.618 1.00 51.52 C ATOM 907 O VAL A 61 -0.308 -1.738 -15.812 1.00 3.54 O ATOM 908 CB VAL A 61 0.017 0.778 -13.863 1.00 22.05 C ATOM 909 CG1 VAL A 61 1.335 0.018 -13.870 1.00 73.13 C ATOM 910 CG2 VAL A 61 0.062 1.949 -14.832 1.00 3.52 C ATOM 0 H VAL A 61 -0.471 -1.881 -13.219 1.00 62.54 H new ATOM 0 HA VAL A 61 -2.085 0.399 -14.167 1.00 71.13 H new ATOM 0 HB VAL A 61 -0.141 1.173 -12.859 1.00 22.05 H new ATOM 0 HG11 VAL A 61 2.149 0.700 -13.624 1.00 73.13 H new ATOM 0 HG12 VAL A 61 1.297 -0.783 -13.132 1.00 73.13 H new ATOM 0 HG13 VAL A 61 1.504 -0.408 -14.859 1.00 73.13 H new ATOM 0 HG21 VAL A 61 0.894 2.604 -14.573 1.00 3.52 H new ATOM 0 HG22 VAL A 61 0.196 1.576 -15.847 1.00 3.52 H new ATOM 0 HG23 VAL A 61 -0.872 2.508 -14.771 1.00 3.52 H new ATOM 920 N GLY A 62 -1.509 -0.008 -16.602 1.00 12.51 N ATOM 921 CA GLY A 62 -1.381 -0.437 -17.982 1.00 55.53 C ATOM 922 C GLY A 62 -2.638 -1.109 -18.499 1.00 23.40 C ATOM 923 O GLY A 62 -3.732 -0.874 -17.986 1.00 42.43 O ATOM 0 H GLY A 62 -2.046 0.848 -16.468 1.00 12.51 H new ATOM 0 HA2 GLY A 62 -1.150 0.425 -18.607 1.00 55.53 H new ATOM 0 HA3 GLY A 62 -0.542 -1.127 -18.068 1.00 55.53 H new ATOM 927 N ARG A 63 -2.481 -1.948 -19.518 1.00 35.10 N ATOM 928 CA ARG A 63 -3.613 -2.654 -20.107 1.00 51.31 C ATOM 929 C ARG A 63 -3.148 -3.904 -20.848 1.00 52.24 C ATOM 930 O ARG A 63 -2.502 -3.815 -21.894 1.00 14.35 O ATOM 931 CB ARG A 63 -4.373 -1.733 -21.064 1.00 32.41 C ATOM 932 CG ARG A 63 -5.592 -2.385 -21.696 1.00 71.12 C ATOM 933 CD ARG A 63 -6.753 -2.463 -20.717 1.00 51.32 C ATOM 934 NE ARG A 63 -7.334 -1.149 -20.452 1.00 74.43 N ATOM 935 CZ ARG A 63 -8.250 -0.926 -19.516 1.00 22.31 C ATOM 936 NH1 ARG A 63 -8.685 -1.924 -18.759 1.00 13.22 N ATOM 937 NH2 ARG A 63 -8.731 0.297 -19.335 1.00 1.01 N ATOM 0 H ARG A 63 -1.582 -2.155 -19.953 1.00 35.10 H new ATOM 0 HA ARG A 63 -4.280 -2.958 -19.300 1.00 51.31 H new ATOM 0 HB2 ARG A 63 -4.688 -0.841 -20.523 1.00 32.41 H new ATOM 0 HB3 ARG A 63 -3.697 -1.405 -21.853 1.00 32.41 H new ATOM 0 HG2 ARG A 63 -5.894 -1.817 -22.576 1.00 71.12 H new ATOM 0 HG3 ARG A 63 -5.334 -3.388 -22.037 1.00 71.12 H new ATOM 0 HD2 ARG A 63 -7.521 -3.125 -21.117 1.00 51.32 H new ATOM 0 HD3 ARG A 63 -6.409 -2.903 -19.781 1.00 51.32 H new ATOM 0 HE ARG A 63 -7.019 -0.360 -21.016 1.00 74.43 H new ATOM 0 HH11 ARG A 63 -8.316 -2.865 -18.895 1.00 13.22 H new ATOM 0 HH12 ARG A 63 -9.388 -1.750 -18.041 1.00 13.22 H new ATOM 0 HH21 ARG A 63 -8.398 1.067 -19.915 1.00 1.01 H new ATOM 0 HH22 ARG A 63 -9.434 0.467 -18.616 1.00 1.01 H new ATOM 951 N LEU A 64 -3.480 -5.068 -20.301 1.00 11.42 N ATOM 952 CA LEU A 64 -3.097 -6.337 -20.910 1.00 5.35 C ATOM 953 C LEU A 64 -3.809 -6.538 -22.243 1.00 71.40 C ATOM 954 O LEU A 64 -5.037 -6.610 -22.297 1.00 12.30 O ATOM 955 CB LEU A 64 -3.419 -7.496 -19.965 1.00 74.03 C ATOM 956 CG LEU A 64 -2.357 -7.822 -18.915 1.00 13.34 C ATOM 957 CD1 LEU A 64 -2.360 -6.776 -17.811 1.00 10.42 C ATOM 958 CD2 LEU A 64 -2.587 -9.210 -18.336 1.00 72.44 C ATOM 0 H LEU A 64 -4.014 -5.159 -19.437 1.00 11.42 H new ATOM 0 HA LEU A 64 -2.023 -6.315 -21.094 1.00 5.35 H new ATOM 0 HB2 LEU A 64 -4.353 -7.270 -19.450 1.00 74.03 H new ATOM 0 HB3 LEU A 64 -3.594 -8.389 -20.565 1.00 74.03 H new ATOM 0 HG LEU A 64 -1.380 -7.809 -19.398 1.00 13.34 H new ATOM 0 HD11 LEU A 64 -1.598 -7.024 -17.072 1.00 10.42 H new ATOM 0 HD12 LEU A 64 -2.146 -5.796 -18.238 1.00 10.42 H new ATOM 0 HD13 LEU A 64 -3.338 -6.757 -17.330 1.00 10.42 H new ATOM 0 HD21 LEU A 64 -1.821 -9.425 -17.590 1.00 72.44 H new ATOM 0 HD22 LEU A 64 -3.571 -9.251 -17.868 1.00 72.44 H new ATOM 0 HD23 LEU A 64 -2.534 -9.951 -19.134 1.00 72.44 H new ATOM 970 N ILE A 65 -3.031 -6.632 -23.316 1.00 4.43 N ATOM 971 CA ILE A 65 -3.587 -6.830 -24.648 1.00 74.11 C ATOM 972 C ILE A 65 -4.114 -8.251 -24.818 1.00 24.21 C ATOM 973 O ILE A 65 -5.280 -8.458 -25.153 1.00 54.22 O ATOM 974 CB ILE A 65 -2.542 -6.548 -25.743 1.00 43.40 C ATOM 975 CG1 ILE A 65 -1.987 -5.129 -25.596 1.00 33.14 C ATOM 976 CG2 ILE A 65 -3.153 -6.742 -27.122 1.00 73.43 C ATOM 977 CD1 ILE A 65 -3.044 -4.052 -25.712 1.00 25.54 C ATOM 0 H ILE A 65 -2.013 -6.574 -23.288 1.00 4.43 H new ATOM 0 HA ILE A 65 -4.411 -6.124 -24.754 1.00 74.11 H new ATOM 0 HB ILE A 65 -1.719 -7.254 -25.629 1.00 43.40 H new ATOM 0 HG12 ILE A 65 -1.493 -5.039 -24.629 1.00 33.14 H new ATOM 0 HG13 ILE A 65 -1.226 -4.964 -26.359 1.00 33.14 H new ATOM 0 HG21 ILE A 65 -2.401 -6.539 -27.885 1.00 73.43 H new ATOM 0 HG22 ILE A 65 -3.504 -7.769 -27.223 1.00 73.43 H new ATOM 0 HG23 ILE A 65 -3.992 -6.058 -27.248 1.00 73.43 H new ATOM 0 HD11 ILE A 65 -2.579 -3.073 -25.598 1.00 25.54 H new ATOM 0 HD12 ILE A 65 -3.522 -4.115 -26.689 1.00 25.54 H new ATOM 0 HD13 ILE A 65 -3.793 -4.191 -24.932 1.00 25.54 H new ATOM 989 N THR A 66 -3.245 -9.230 -24.582 1.00 73.14 N ATOM 990 CA THR A 66 -3.622 -10.632 -24.707 1.00 71.43 C ATOM 991 C THR A 66 -4.886 -10.935 -23.911 1.00 54.12 C ATOM 992 O THR A 66 -5.248 -10.194 -22.997 1.00 62.33 O ATOM 993 CB THR A 66 -2.492 -11.563 -24.227 1.00 50.44 C ATOM 994 OG1 THR A 66 -2.837 -12.928 -24.489 1.00 44.44 O ATOM 995 CG2 THR A 66 -2.233 -11.376 -22.740 1.00 64.31 C ATOM 0 H THR A 66 -2.276 -9.077 -24.303 1.00 73.14 H new ATOM 0 HA THR A 66 -3.809 -10.815 -25.765 1.00 71.43 H new ATOM 0 HB THR A 66 -1.584 -11.308 -24.773 1.00 50.44 H new ATOM 0 HG1 THR A 66 -2.044 -13.411 -24.802 1.00 44.44 H new ATOM 0 HG21 THR A 66 -1.431 -12.043 -22.424 1.00 64.31 H new ATOM 0 HG22 THR A 66 -1.942 -10.343 -22.548 1.00 64.31 H new ATOM 0 HG23 THR A 66 -3.140 -11.607 -22.181 1.00 64.31 H new ATOM 1003 N ALA A 67 -5.555 -12.028 -24.264 1.00 23.22 N ATOM 1004 CA ALA A 67 -6.778 -12.429 -23.581 1.00 32.34 C ATOM 1005 C ALA A 67 -6.513 -13.571 -22.605 1.00 10.44 C ATOM 1006 O ALA A 67 -6.767 -13.447 -21.407 1.00 71.33 O ATOM 1007 CB ALA A 67 -7.840 -12.834 -24.593 1.00 3.22 C ATOM 0 H ALA A 67 -5.270 -12.651 -25.019 1.00 23.22 H new ATOM 0 HA ALA A 67 -7.142 -11.575 -23.010 1.00 32.34 H new ATOM 0 HB1 ALA A 67 -8.748 -13.131 -24.068 1.00 3.22 H new ATOM 0 HB2 ALA A 67 -8.059 -11.991 -25.248 1.00 3.22 H new ATOM 0 HB3 ALA A 67 -7.475 -13.671 -25.189 1.00 3.22 H new ATOM 1013 N ASN A 68 -6.001 -14.681 -23.125 1.00 73.31 N ATOM 1014 CA ASN A 68 -5.702 -15.845 -22.299 1.00 32.32 C ATOM 1015 C ASN A 68 -4.452 -16.562 -22.800 1.00 50.43 C ATOM 1016 O ASN A 68 -4.519 -17.637 -23.396 1.00 33.35 O ATOM 1017 CB ASN A 68 -6.889 -16.811 -22.293 1.00 10.13 C ATOM 1018 CG ASN A 68 -6.587 -18.094 -21.543 1.00 3.24 C ATOM 1019 OD1 ASN A 68 -6.049 -18.067 -20.436 1.00 2.44 O ATOM 1020 ND2 ASN A 68 -6.932 -19.226 -22.144 1.00 71.13 N ATOM 0 H ASN A 68 -5.784 -14.799 -24.115 1.00 73.31 H new ATOM 0 HA ASN A 68 -5.518 -15.499 -21.282 1.00 32.32 H new ATOM 0 HB2 ASN A 68 -7.750 -16.321 -21.838 1.00 10.13 H new ATOM 0 HB3 ASN A 68 -7.164 -17.050 -23.320 1.00 10.13 H new ATOM 0 HD21 ASN A 68 -6.753 -20.121 -21.688 1.00 71.13 H new ATOM 0 HD22 ASN A 68 -7.376 -19.201 -23.062 1.00 71.13 H new ATOM 1027 N PRO A 69 -3.282 -15.953 -22.555 1.00 14.34 N ATOM 1028 CA PRO A 69 -1.994 -16.515 -22.971 1.00 33.23 C ATOM 1029 C PRO A 69 -1.623 -17.763 -22.177 1.00 32.21 C ATOM 1030 O PRO A 69 -1.558 -17.733 -20.948 1.00 31.01 O ATOM 1031 CB PRO A 69 -1.004 -15.384 -22.683 1.00 22.32 C ATOM 1032 CG PRO A 69 -1.647 -14.583 -21.604 1.00 23.12 C ATOM 1033 CD PRO A 69 -3.127 -14.668 -21.851 1.00 75.41 C ATOM 0 HA PRO A 69 -2.006 -16.834 -24.013 1.00 33.23 H new ATOM 0 HB2 PRO A 69 -0.038 -15.775 -22.363 1.00 22.32 H new ATOM 0 HB3 PRO A 69 -0.825 -14.779 -23.572 1.00 22.32 H new ATOM 0 HG2 PRO A 69 -1.392 -14.978 -20.620 1.00 23.12 H new ATOM 0 HG3 PRO A 69 -1.306 -13.548 -21.630 1.00 23.12 H new ATOM 0 HD2 PRO A 69 -3.692 -14.650 -20.919 1.00 75.41 H new ATOM 0 HD3 PRO A 69 -3.482 -13.833 -22.455 1.00 75.41 H new ATOM 1041 N VAL A 70 -1.380 -18.860 -22.887 1.00 71.22 N ATOM 1042 CA VAL A 70 -1.013 -20.119 -22.249 1.00 11.42 C ATOM 1043 C VAL A 70 -0.081 -20.934 -23.137 1.00 64.24 C ATOM 1044 O VAL A 70 -0.131 -20.835 -24.364 1.00 35.13 O ATOM 1045 CB VAL A 70 -2.257 -20.964 -21.917 1.00 55.42 C ATOM 1046 CG1 VAL A 70 -3.225 -20.172 -21.051 1.00 55.23 C ATOM 1047 CG2 VAL A 70 -2.936 -21.436 -23.194 1.00 63.41 C ATOM 0 H VAL A 70 -1.431 -18.902 -23.905 1.00 71.22 H new ATOM 0 HA VAL A 70 -0.498 -19.865 -21.323 1.00 11.42 H new ATOM 0 HB VAL A 70 -1.939 -21.842 -21.355 1.00 55.42 H new ATOM 0 HG11 VAL A 70 -4.098 -20.785 -20.827 1.00 55.23 H new ATOM 0 HG12 VAL A 70 -2.732 -19.888 -20.121 1.00 55.23 H new ATOM 0 HG13 VAL A 70 -3.539 -19.275 -21.584 1.00 55.23 H new ATOM 0 HG21 VAL A 70 -3.813 -22.032 -22.941 1.00 63.41 H new ATOM 0 HG22 VAL A 70 -3.242 -20.572 -23.784 1.00 63.41 H new ATOM 0 HG23 VAL A 70 -2.240 -22.043 -23.773 1.00 63.41 H new ATOM 1057 N ILE A 71 0.770 -21.740 -22.511 1.00 32.22 N ATOM 1058 CA ILE A 71 1.714 -22.573 -23.245 1.00 72.40 C ATOM 1059 C ILE A 71 1.041 -23.839 -23.765 1.00 71.03 C ATOM 1060 O ILE A 71 0.295 -24.501 -23.043 1.00 60.41 O ATOM 1061 CB ILE A 71 2.917 -22.968 -22.368 1.00 34.41 C ATOM 1062 CG1 ILE A 71 3.493 -21.735 -21.669 1.00 70.23 C ATOM 1063 CG2 ILE A 71 3.983 -23.654 -23.209 1.00 32.21 C ATOM 1064 CD1 ILE A 71 3.939 -20.652 -22.626 1.00 40.12 C ATOM 0 H ILE A 71 0.825 -21.834 -21.497 1.00 32.22 H new ATOM 0 HA ILE A 71 2.069 -21.980 -24.088 1.00 72.40 H new ATOM 0 HB ILE A 71 2.577 -23.669 -21.605 1.00 34.41 H new ATOM 0 HG12 ILE A 71 2.741 -21.325 -20.994 1.00 70.23 H new ATOM 0 HG13 ILE A 71 4.341 -22.038 -21.055 1.00 70.23 H new ATOM 0 HG21 ILE A 71 4.827 -23.927 -22.575 1.00 32.21 H new ATOM 0 HG22 ILE A 71 3.565 -24.552 -23.664 1.00 32.21 H new ATOM 0 HG23 ILE A 71 4.322 -22.975 -23.991 1.00 32.21 H new ATOM 0 HD11 ILE A 71 4.336 -19.809 -22.061 1.00 40.12 H new ATOM 0 HD12 ILE A 71 4.714 -21.045 -23.285 1.00 40.12 H new ATOM 0 HD13 ILE A 71 3.089 -20.321 -23.223 1.00 40.12 H new ATOM 1076 N THR A 72 1.311 -24.172 -25.024 1.00 15.41 N ATOM 1077 CA THR A 72 0.734 -25.359 -25.641 1.00 31.41 C ATOM 1078 C THR A 72 1.815 -26.374 -25.997 1.00 53.42 C ATOM 1079 O THR A 72 1.619 -27.580 -25.851 1.00 55.42 O ATOM 1080 CB THR A 72 -0.059 -25.003 -26.913 1.00 31.25 C ATOM 1081 OG1 THR A 72 0.567 -23.908 -27.590 1.00 1.24 O ATOM 1082 CG2 THR A 72 -1.496 -24.640 -26.570 1.00 50.41 C ATOM 0 H THR A 72 1.926 -23.635 -25.636 1.00 15.41 H new ATOM 0 HA THR A 72 0.055 -25.797 -24.909 1.00 31.41 H new ATOM 0 HB THR A 72 -0.067 -25.876 -27.566 1.00 31.25 H new ATOM 0 HG1 THR A 72 0.058 -23.689 -28.398 1.00 1.24 H new ATOM 0 HG21 THR A 72 -2.037 -24.392 -27.483 1.00 50.41 H new ATOM 0 HG22 THR A 72 -1.978 -25.486 -26.081 1.00 50.41 H new ATOM 0 HG23 THR A 72 -1.504 -23.781 -25.899 1.00 50.41 H new ATOM 1090 N GLU A 73 2.956 -25.876 -26.464 1.00 74.44 N ATOM 1091 CA GLU A 73 4.067 -26.741 -26.843 1.00 20.45 C ATOM 1092 C GLU A 73 4.426 -27.695 -25.706 1.00 53.41 C ATOM 1093 O GLU A 73 4.518 -27.289 -24.547 1.00 73.34 O ATOM 1094 CB GLU A 73 5.288 -25.902 -27.224 1.00 25.32 C ATOM 1095 CG GLU A 73 5.232 -25.353 -28.639 1.00 54.32 C ATOM 1096 CD GLU A 73 4.405 -24.085 -28.740 1.00 64.21 C ATOM 1097 OE1 GLU A 73 3.675 -23.932 -29.741 1.00 73.24 O ATOM 1098 OE2 GLU A 73 4.490 -23.247 -27.819 1.00 15.42 O ATOM 0 H GLU A 73 3.135 -24.880 -26.589 1.00 74.44 H new ATOM 0 HA GLU A 73 3.757 -27.331 -27.705 1.00 20.45 H new ATOM 0 HB2 GLU A 73 5.380 -25.071 -26.524 1.00 25.32 H new ATOM 0 HB3 GLU A 73 6.185 -26.511 -27.115 1.00 25.32 H new ATOM 0 HG2 GLU A 73 6.245 -25.150 -28.987 1.00 54.32 H new ATOM 0 HG3 GLU A 73 4.813 -26.110 -29.302 1.00 54.32 H new ATOM 1105 N SER A 74 4.626 -28.963 -26.047 1.00 64.51 N ATOM 1106 CA SER A 74 4.972 -29.976 -25.056 1.00 40.20 C ATOM 1107 C SER A 74 6.455 -29.907 -24.703 1.00 53.22 C ATOM 1108 O SER A 74 6.843 -30.117 -23.553 1.00 54.04 O ATOM 1109 CB SER A 74 4.625 -31.371 -25.579 1.00 30.11 C ATOM 1110 OG SER A 74 5.042 -31.530 -26.924 1.00 24.23 O ATOM 0 H SER A 74 4.555 -29.314 -27.002 1.00 64.51 H new ATOM 0 HA SER A 74 4.392 -29.779 -24.154 1.00 40.20 H new ATOM 0 HB2 SER A 74 5.103 -32.126 -24.955 1.00 30.11 H new ATOM 0 HB3 SER A 74 3.549 -31.533 -25.507 1.00 30.11 H new ATOM 0 HG SER A 74 4.810 -32.430 -27.234 1.00 24.23 H new ATOM 1116 N THR A 75 7.281 -29.610 -25.702 1.00 21.53 N ATOM 1117 CA THR A 75 8.721 -29.514 -25.499 1.00 1.31 C ATOM 1118 C THR A 75 9.060 -28.443 -24.469 1.00 4.43 C ATOM 1119 O THR A 75 8.177 -27.746 -23.971 1.00 12.11 O ATOM 1120 CB THR A 75 9.454 -29.194 -26.816 1.00 14.24 C ATOM 1121 OG1 THR A 75 9.062 -27.902 -27.293 1.00 11.33 O ATOM 1122 CG2 THR A 75 9.149 -30.244 -27.873 1.00 63.11 C ATOM 0 H THR A 75 6.977 -29.432 -26.659 1.00 21.53 H new ATOM 0 HA THR A 75 9.054 -30.485 -25.133 1.00 1.31 H new ATOM 0 HB THR A 75 10.526 -29.199 -26.620 1.00 14.24 H new ATOM 0 HG1 THR A 75 9.533 -27.705 -28.129 1.00 11.33 H new ATOM 0 HG21 THR A 75 9.677 -29.997 -28.794 1.00 63.11 H new ATOM 0 HG22 THR A 75 9.475 -31.222 -27.519 1.00 63.11 H new ATOM 0 HG23 THR A 75 8.076 -30.266 -28.065 1.00 63.11 H new ATOM 1130 N GLU A 76 10.346 -28.317 -24.154 1.00 51.31 N ATOM 1131 CA GLU A 76 10.801 -27.330 -23.182 1.00 14.23 C ATOM 1132 C GLU A 76 11.448 -26.137 -23.879 1.00 53.32 C ATOM 1133 O GLU A 76 11.510 -26.081 -25.107 1.00 10.04 O ATOM 1134 CB GLU A 76 11.793 -27.963 -22.205 1.00 23.42 C ATOM 1135 CG GLU A 76 13.151 -28.257 -22.821 1.00 52.41 C ATOM 1136 CD GLU A 76 13.939 -29.285 -22.033 1.00 44.44 C ATOM 1137 OE1 GLU A 76 15.162 -29.094 -21.868 1.00 5.54 O ATOM 1138 OE2 GLU A 76 13.334 -30.280 -21.583 1.00 43.30 O ATOM 0 H GLU A 76 11.090 -28.886 -24.558 1.00 51.31 H new ATOM 0 HA GLU A 76 9.931 -26.977 -22.628 1.00 14.23 H new ATOM 0 HB2 GLU A 76 11.927 -27.296 -21.353 1.00 23.42 H new ATOM 0 HB3 GLU A 76 11.369 -28.891 -21.820 1.00 23.42 H new ATOM 0 HG2 GLU A 76 13.013 -28.615 -23.841 1.00 52.41 H new ATOM 0 HG3 GLU A 76 13.726 -27.333 -22.882 1.00 52.41 H new ATOM 1145 N ASN A 77 11.928 -25.184 -23.086 1.00 75.13 N ATOM 1146 CA ASN A 77 12.568 -23.990 -23.627 1.00 30.51 C ATOM 1147 C ASN A 77 11.677 -23.319 -24.668 1.00 21.13 C ATOM 1148 O ASN A 77 12.163 -22.791 -25.668 1.00 31.21 O ATOM 1149 CB ASN A 77 13.919 -24.349 -24.250 1.00 55.12 C ATOM 1150 CG ASN A 77 15.009 -24.518 -23.210 1.00 11.42 C ATOM 1151 OD1 ASN A 77 14.815 -24.205 -22.035 1.00 32.52 O ATOM 1152 ND2 ASN A 77 16.164 -25.014 -23.638 1.00 52.54 N ATOM 0 H ASN A 77 11.886 -25.215 -22.067 1.00 75.13 H new ATOM 0 HA ASN A 77 12.728 -23.290 -22.807 1.00 30.51 H new ATOM 0 HB2 ASN A 77 13.819 -25.272 -24.821 1.00 55.12 H new ATOM 0 HB3 ASN A 77 14.210 -23.569 -24.954 1.00 55.12 H new ATOM 0 HD21 ASN A 77 16.935 -25.149 -22.984 1.00 52.54 H new ATOM 0 HD22 ASN A 77 16.280 -25.260 -24.621 1.00 52.54 H new ATOM 1159 N SER A 78 10.371 -23.343 -24.424 1.00 54.02 N ATOM 1160 CA SER A 78 9.411 -22.738 -25.340 1.00 41.53 C ATOM 1161 C SER A 78 9.266 -21.244 -25.066 1.00 13.25 C ATOM 1162 O SER A 78 9.565 -20.770 -23.969 1.00 40.13 O ATOM 1163 CB SER A 78 8.050 -23.425 -25.215 1.00 64.52 C ATOM 1164 OG SER A 78 8.078 -24.720 -25.791 1.00 44.25 O ATOM 0 H SER A 78 9.953 -23.775 -23.600 1.00 54.02 H new ATOM 0 HA SER A 78 9.784 -22.870 -26.356 1.00 41.53 H new ATOM 0 HB2 SER A 78 7.771 -23.497 -24.164 1.00 64.52 H new ATOM 0 HB3 SER A 78 7.288 -22.821 -25.707 1.00 64.52 H new ATOM 0 HG SER A 78 7.338 -25.254 -25.433 1.00 44.25 H new ATOM 1170 N LYS A 79 8.804 -20.506 -26.070 1.00 32.34 N ATOM 1171 CA LYS A 79 8.619 -19.066 -25.939 1.00 55.14 C ATOM 1172 C LYS A 79 7.167 -18.678 -26.202 1.00 32.21 C ATOM 1173 O LYS A 79 6.329 -19.533 -26.488 1.00 14.43 O ATOM 1174 CB LYS A 79 9.539 -18.323 -26.910 1.00 4.32 C ATOM 1175 CG LYS A 79 10.916 -18.029 -26.338 1.00 54.20 C ATOM 1176 CD LYS A 79 11.818 -19.250 -26.400 1.00 53.02 C ATOM 1177 CE LYS A 79 12.496 -19.374 -27.756 1.00 54.42 C ATOM 1178 NZ LYS A 79 11.676 -20.163 -28.716 1.00 73.23 N ATOM 0 H LYS A 79 8.551 -20.882 -26.984 1.00 32.34 H new ATOM 0 HA LYS A 79 8.874 -18.784 -24.917 1.00 55.14 H new ATOM 0 HB2 LYS A 79 9.651 -18.916 -27.818 1.00 4.32 H new ATOM 0 HB3 LYS A 79 9.067 -17.384 -27.199 1.00 4.32 H new ATOM 0 HG2 LYS A 79 11.373 -17.209 -26.892 1.00 54.20 H new ATOM 0 HG3 LYS A 79 10.819 -17.700 -25.304 1.00 54.20 H new ATOM 0 HD2 LYS A 79 12.575 -19.185 -25.618 1.00 53.02 H new ATOM 0 HD3 LYS A 79 11.232 -20.147 -26.202 1.00 53.02 H new ATOM 0 HE2 LYS A 79 12.676 -18.380 -28.164 1.00 54.42 H new ATOM 0 HE3 LYS A 79 13.469 -19.849 -27.633 1.00 54.42 H new ATOM 0 HZ1 LYS A 79 12.274 -20.876 -29.179 1.00 73.23 H new ATOM 0 HZ2 LYS A 79 10.904 -20.638 -28.205 1.00 73.23 H new ATOM 0 HZ3 LYS A 79 11.276 -19.527 -29.435 1.00 73.23 H new ATOM 1192 N MET A 80 6.878 -17.385 -26.104 1.00 54.31 N ATOM 1193 CA MET A 80 5.527 -16.885 -26.332 1.00 13.32 C ATOM 1194 C MET A 80 5.519 -15.362 -26.423 1.00 33.11 C ATOM 1195 O MET A 80 5.885 -14.672 -25.472 1.00 22.52 O ATOM 1196 CB MET A 80 4.594 -17.345 -25.210 1.00 72.11 C ATOM 1197 CG MET A 80 3.163 -17.578 -25.667 1.00 71.41 C ATOM 1198 SD MET A 80 2.190 -16.061 -25.704 1.00 74.03 S ATOM 1199 CE MET A 80 0.958 -16.479 -26.936 1.00 10.12 C ATOM 0 H MET A 80 7.561 -16.665 -25.868 1.00 54.31 H new ATOM 0 HA MET A 80 5.172 -17.290 -27.280 1.00 13.32 H new ATOM 0 HB2 MET A 80 4.984 -18.267 -24.779 1.00 72.11 H new ATOM 0 HB3 MET A 80 4.596 -16.597 -24.417 1.00 72.11 H new ATOM 0 HG2 MET A 80 3.171 -18.024 -26.662 1.00 71.41 H new ATOM 0 HG3 MET A 80 2.685 -18.295 -25.000 1.00 71.41 H new ATOM 0 HE1 MET A 80 0.279 -15.637 -27.072 1.00 10.12 H new ATOM 0 HE2 MET A 80 1.451 -16.704 -27.882 1.00 10.12 H new ATOM 0 HE3 MET A 80 0.394 -17.351 -26.605 1.00 10.12 H new ATOM 1209 N MET A 81 5.099 -14.845 -27.573 1.00 10.32 N ATOM 1210 CA MET A 81 5.044 -13.403 -27.787 1.00 20.20 C ATOM 1211 C MET A 81 3.766 -12.814 -27.198 1.00 21.51 C ATOM 1212 O MET A 81 2.700 -13.427 -27.266 1.00 34.04 O ATOM 1213 CB MET A 81 5.125 -13.085 -29.281 1.00 53.41 C ATOM 1214 CG MET A 81 5.505 -11.643 -29.575 1.00 45.33 C ATOM 1215 SD MET A 81 5.116 -11.153 -31.266 1.00 51.42 S ATOM 1216 CE MET A 81 6.399 -12.013 -32.172 1.00 60.23 C ATOM 0 H MET A 81 4.792 -15.402 -28.370 1.00 10.32 H new ATOM 0 HA MET A 81 5.897 -12.952 -27.280 1.00 20.20 H new ATOM 0 HB2 MET A 81 5.856 -13.747 -29.746 1.00 53.41 H new ATOM 0 HB3 MET A 81 4.161 -13.300 -29.743 1.00 53.41 H new ATOM 0 HG2 MET A 81 4.982 -10.985 -28.881 1.00 45.33 H new ATOM 0 HG3 MET A 81 6.572 -11.509 -29.399 1.00 45.33 H new ATOM 0 HE1 MET A 81 6.292 -11.808 -33.237 1.00 60.23 H new ATOM 0 HE2 MET A 81 7.376 -11.670 -31.833 1.00 60.23 H new ATOM 0 HE3 MET A 81 6.311 -13.085 -31.998 1.00 60.23 H new ATOM 1226 N LEU A 82 3.880 -11.624 -26.620 1.00 43.21 N ATOM 1227 CA LEU A 82 2.734 -10.953 -26.018 1.00 13.53 C ATOM 1228 C LEU A 82 2.799 -9.447 -26.253 1.00 13.22 C ATOM 1229 O LEU A 82 3.867 -8.897 -26.520 1.00 14.24 O ATOM 1230 CB LEU A 82 2.678 -11.244 -24.517 1.00 54.11 C ATOM 1231 CG LEU A 82 2.248 -12.658 -24.123 1.00 45.24 C ATOM 1232 CD1 LEU A 82 2.702 -12.979 -22.708 1.00 3.31 C ATOM 1233 CD2 LEU A 82 0.740 -12.812 -24.250 1.00 12.34 C ATOM 0 H LEU A 82 4.755 -11.104 -26.555 1.00 43.21 H new ATOM 0 HA LEU A 82 1.830 -11.337 -26.491 1.00 13.53 H new ATOM 0 HB2 LEU A 82 3.664 -11.054 -24.093 1.00 54.11 H new ATOM 0 HB3 LEU A 82 1.991 -10.535 -24.055 1.00 54.11 H new ATOM 0 HG LEU A 82 2.723 -13.365 -24.804 1.00 45.24 H new ATOM 0 HD11 LEU A 82 2.387 -13.989 -22.445 1.00 3.31 H new ATOM 0 HD12 LEU A 82 3.788 -12.911 -22.650 1.00 3.31 H new ATOM 0 HD13 LEU A 82 2.256 -12.268 -22.013 1.00 3.31 H new ATOM 0 HD21 LEU A 82 0.452 -13.824 -23.966 1.00 12.34 H new ATOM 0 HD22 LEU A 82 0.245 -12.096 -23.594 1.00 12.34 H new ATOM 0 HD23 LEU A 82 0.441 -12.626 -25.282 1.00 12.34 H new ATOM 1245 N GLU A 83 1.649 -8.787 -26.150 1.00 5.32 N ATOM 1246 CA GLU A 83 1.577 -7.344 -26.352 1.00 20.42 C ATOM 1247 C GLU A 83 1.212 -6.631 -25.053 1.00 54.34 C ATOM 1248 O GLU A 83 0.230 -6.978 -24.396 1.00 30.35 O ATOM 1249 CB GLU A 83 0.551 -7.010 -27.437 1.00 0.14 C ATOM 1250 CG GLU A 83 0.947 -7.498 -28.820 1.00 40.41 C ATOM 1251 CD GLU A 83 -0.104 -7.192 -29.869 1.00 50.25 C ATOM 1252 OE1 GLU A 83 -0.884 -6.238 -29.666 1.00 74.12 O ATOM 1253 OE2 GLU A 83 -0.147 -7.906 -30.893 1.00 45.30 O ATOM 0 H GLU A 83 0.756 -9.228 -25.928 1.00 5.32 H new ATOM 0 HA GLU A 83 2.559 -6.997 -26.672 1.00 20.42 H new ATOM 0 HB2 GLU A 83 -0.408 -7.451 -27.166 1.00 0.14 H new ATOM 0 HB3 GLU A 83 0.407 -5.930 -27.469 1.00 0.14 H new ATOM 0 HG2 GLU A 83 1.890 -7.033 -29.109 1.00 40.41 H new ATOM 0 HG3 GLU A 83 1.119 -8.574 -28.786 1.00 40.41 H new ATOM 1260 N LEU A 84 2.008 -5.632 -24.690 1.00 43.31 N ATOM 1261 CA LEU A 84 1.770 -4.868 -23.470 1.00 51.24 C ATOM 1262 C LEU A 84 1.368 -3.433 -23.796 1.00 42.14 C ATOM 1263 O LEU A 84 1.729 -2.900 -24.846 1.00 53.01 O ATOM 1264 CB LEU A 84 3.021 -4.872 -22.590 1.00 13.21 C ATOM 1265 CG LEU A 84 3.384 -6.210 -21.946 1.00 62.43 C ATOM 1266 CD1 LEU A 84 2.175 -6.812 -21.247 1.00 62.10 C ATOM 1267 CD2 LEU A 84 3.933 -7.172 -22.990 1.00 33.51 C ATOM 0 H LEU A 84 2.824 -5.332 -25.223 1.00 43.31 H new ATOM 0 HA LEU A 84 0.951 -5.341 -22.928 1.00 51.24 H new ATOM 0 HB2 LEU A 84 3.866 -4.541 -23.193 1.00 13.21 H new ATOM 0 HB3 LEU A 84 2.886 -4.135 -21.798 1.00 13.21 H new ATOM 0 HG LEU A 84 4.158 -6.034 -21.199 1.00 62.43 H new ATOM 0 HD11 LEU A 84 2.453 -7.764 -20.795 1.00 62.10 H new ATOM 0 HD12 LEU A 84 1.826 -6.130 -20.472 1.00 62.10 H new ATOM 0 HD13 LEU A 84 1.378 -6.974 -21.973 1.00 62.10 H new ATOM 0 HD21 LEU A 84 4.186 -8.119 -22.514 1.00 33.51 H new ATOM 0 HD22 LEU A 84 3.180 -7.342 -23.760 1.00 33.51 H new ATOM 0 HD23 LEU A 84 4.826 -6.744 -23.445 1.00 33.51 H new ATOM 1279 N ASP A 85 0.622 -2.812 -22.889 1.00 72.53 N ATOM 1280 CA ASP A 85 0.174 -1.438 -23.079 1.00 12.34 C ATOM 1281 C ASP A 85 0.393 -0.616 -21.812 1.00 54.32 C ATOM 1282 O ASP A 85 -0.552 -0.203 -21.140 1.00 15.51 O ATOM 1283 CB ASP A 85 -1.304 -1.410 -23.471 1.00 14.25 C ATOM 1284 CG ASP A 85 -1.747 -0.046 -23.964 1.00 20.34 C ATOM 1285 OD1 ASP A 85 -1.116 0.478 -24.906 1.00 34.30 O ATOM 1286 OD2 ASP A 85 -2.724 0.497 -23.408 1.00 34.41 O ATOM 0 H ASP A 85 0.315 -3.239 -22.015 1.00 72.53 H new ATOM 0 HA ASP A 85 0.763 -0.997 -23.883 1.00 12.34 H new ATOM 0 HB2 ASP A 85 -1.484 -2.151 -24.250 1.00 14.25 H new ATOM 0 HB3 ASP A 85 -1.910 -1.697 -22.612 1.00 14.25 H new ATOM 1291 N PRO A 86 1.668 -0.373 -21.477 1.00 44.31 N ATOM 1292 CA PRO A 86 2.041 0.401 -20.289 1.00 42.44 C ATOM 1293 C PRO A 86 1.694 1.880 -20.428 1.00 73.44 C ATOM 1294 O PRO A 86 1.369 2.367 -21.512 1.00 24.34 O ATOM 1295 CB PRO A 86 3.558 0.214 -20.206 1.00 2.41 C ATOM 1296 CG PRO A 86 3.982 -0.076 -21.604 1.00 54.14 C ATOM 1297 CD PRO A 86 2.845 -0.835 -22.232 1.00 42.41 C ATOM 0 HA PRO A 86 1.507 0.066 -19.400 1.00 42.44 H new ATOM 0 HB2 PRO A 86 4.047 1.109 -19.822 1.00 2.41 H new ATOM 0 HB3 PRO A 86 3.820 -0.604 -19.535 1.00 2.41 H new ATOM 0 HG2 PRO A 86 4.185 0.846 -22.150 1.00 54.14 H new ATOM 0 HG3 PRO A 86 4.900 -0.664 -21.620 1.00 54.14 H new ATOM 0 HD2 PRO A 86 2.753 -0.613 -23.295 1.00 42.41 H new ATOM 0 HD3 PRO A 86 2.983 -1.912 -22.142 1.00 42.41 H new ATOM 1305 N PRO A 87 1.762 2.612 -19.307 1.00 45.51 N ATOM 1306 CA PRO A 87 1.460 4.046 -19.279 1.00 15.52 C ATOM 1307 C PRO A 87 2.514 4.876 -20.003 1.00 5.25 C ATOM 1308 O PRO A 87 3.396 4.333 -20.669 1.00 54.35 O ATOM 1309 CB PRO A 87 1.451 4.378 -17.784 1.00 63.24 C ATOM 1310 CG PRO A 87 2.327 3.346 -17.163 1.00 24.24 C ATOM 1311 CD PRO A 87 2.142 2.098 -17.981 1.00 32.34 C ATOM 0 HA PRO A 87 0.523 4.274 -19.786 1.00 15.52 H new ATOM 0 HB2 PRO A 87 1.830 5.383 -17.599 1.00 63.24 H new ATOM 0 HB3 PRO A 87 0.441 4.338 -17.375 1.00 63.24 H new ATOM 0 HG2 PRO A 87 3.369 3.665 -17.168 1.00 24.24 H new ATOM 0 HG3 PRO A 87 2.051 3.175 -16.122 1.00 24.24 H new ATOM 0 HD2 PRO A 87 3.057 1.508 -18.026 1.00 32.34 H new ATOM 0 HD3 PRO A 87 1.368 1.454 -17.563 1.00 32.34 H new ATOM 1319 N PHE A 88 2.420 6.195 -19.866 1.00 75.34 N ATOM 1320 CA PHE A 88 3.365 7.100 -20.509 1.00 24.32 C ATOM 1321 C PHE A 88 4.509 7.453 -19.562 1.00 61.44 C ATOM 1322 O PHE A 88 4.406 8.386 -18.767 1.00 72.50 O ATOM 1323 CB PHE A 88 2.654 8.375 -20.965 1.00 51.21 C ATOM 1324 CG PHE A 88 1.502 8.119 -21.894 1.00 52.32 C ATOM 1325 CD1 PHE A 88 1.705 8.027 -23.262 1.00 14.43 C ATOM 1326 CD2 PHE A 88 0.216 7.971 -21.400 1.00 11.20 C ATOM 1327 CE1 PHE A 88 0.647 7.792 -24.119 1.00 73.45 C ATOM 1328 CE2 PHE A 88 -0.846 7.735 -22.253 1.00 22.13 C ATOM 1329 CZ PHE A 88 -0.630 7.646 -23.614 1.00 53.22 C ATOM 0 H PHE A 88 1.699 6.660 -19.315 1.00 75.34 H new ATOM 0 HA PHE A 88 3.780 6.593 -21.380 1.00 24.32 H new ATOM 0 HB2 PHE A 88 2.291 8.912 -20.089 1.00 51.21 H new ATOM 0 HB3 PHE A 88 3.374 9.025 -21.462 1.00 51.21 H new ATOM 0 HD1 PHE A 88 2.702 8.140 -23.663 1.00 14.43 H new ATOM 0 HD2 PHE A 88 0.041 8.041 -20.337 1.00 11.20 H new ATOM 0 HE1 PHE A 88 0.819 7.723 -25.183 1.00 73.45 H new ATOM 0 HE2 PHE A 88 -1.844 7.620 -21.855 1.00 22.13 H new ATOM 0 HZ PHE A 88 -1.458 7.463 -24.282 1.00 53.22 H new ATOM 1339 N GLY A 89 5.600 6.698 -19.655 1.00 1.23 N ATOM 1340 CA GLY A 89 6.747 6.945 -18.800 1.00 61.04 C ATOM 1341 C GLY A 89 7.608 5.711 -18.616 1.00 4.44 C ATOM 1342 O GLY A 89 8.126 5.156 -19.585 1.00 52.41 O ATOM 0 H GLY A 89 5.710 5.921 -20.306 1.00 1.23 H new ATOM 0 HA2 GLY A 89 7.351 7.745 -19.229 1.00 61.04 H new ATOM 0 HA3 GLY A 89 6.402 7.293 -17.826 1.00 61.04 H new ATOM 1346 N ASP A 90 7.764 5.282 -17.368 1.00 42.21 N ATOM 1347 CA ASP A 90 8.570 4.107 -17.059 1.00 31.30 C ATOM 1348 C ASP A 90 7.802 3.143 -16.159 1.00 44.21 C ATOM 1349 O ASP A 90 6.745 3.483 -15.629 1.00 34.42 O ATOM 1350 CB ASP A 90 9.878 4.522 -16.384 1.00 62.22 C ATOM 1351 CG ASP A 90 9.689 5.666 -15.408 1.00 55.55 C ATOM 1352 OD1 ASP A 90 9.376 5.396 -14.230 1.00 11.23 O ATOM 1353 OD2 ASP A 90 9.854 6.833 -15.823 1.00 74.42 O ATOM 0 H ASP A 90 7.343 5.730 -16.554 1.00 42.21 H new ATOM 0 HA ASP A 90 8.799 3.598 -17.995 1.00 31.30 H new ATOM 0 HB2 ASP A 90 10.299 3.665 -15.858 1.00 62.22 H new ATOM 0 HB3 ASP A 90 10.600 4.814 -17.146 1.00 62.22 H new ATOM 1358 N SER A 91 8.342 1.940 -15.993 1.00 20.15 N ATOM 1359 CA SER A 91 7.705 0.925 -15.163 1.00 35.54 C ATOM 1360 C SER A 91 8.582 -0.319 -15.056 1.00 32.12 C ATOM 1361 O SER A 91 9.632 -0.408 -15.692 1.00 3.01 O ATOM 1362 CB SER A 91 6.337 0.550 -15.738 1.00 2.12 C ATOM 1363 OG SER A 91 5.474 0.064 -14.725 1.00 33.31 O ATOM 0 H SER A 91 9.219 1.645 -16.422 1.00 20.15 H new ATOM 0 HA SER A 91 7.570 1.340 -14.164 1.00 35.54 H new ATOM 0 HB2 SER A 91 5.888 1.421 -16.215 1.00 2.12 H new ATOM 0 HB3 SER A 91 6.459 -0.209 -16.511 1.00 2.12 H new ATOM 0 HG SER A 91 4.606 -0.167 -15.118 1.00 33.31 H new ATOM 1369 N TYR A 92 8.143 -1.277 -14.247 1.00 30.00 N ATOM 1370 CA TYR A 92 8.888 -2.516 -14.055 1.00 12.34 C ATOM 1371 C TYR A 92 8.059 -3.722 -14.486 1.00 65.11 C ATOM 1372 O TYR A 92 7.013 -4.010 -13.905 1.00 73.01 O ATOM 1373 CB TYR A 92 9.301 -2.665 -12.589 1.00 41.45 C ATOM 1374 CG TYR A 92 10.641 -2.039 -12.272 1.00 34.34 C ATOM 1375 CD1 TYR A 92 10.736 -0.955 -11.407 1.00 74.42 C ATOM 1376 CD2 TYR A 92 11.811 -2.531 -12.836 1.00 72.32 C ATOM 1377 CE1 TYR A 92 11.957 -0.380 -11.114 1.00 61.34 C ATOM 1378 CE2 TYR A 92 13.037 -1.963 -12.548 1.00 34.51 C ATOM 1379 CZ TYR A 92 13.105 -0.888 -11.687 1.00 34.23 C ATOM 1380 OH TYR A 92 14.324 -0.319 -11.398 1.00 53.11 O ATOM 0 H TYR A 92 7.275 -1.220 -13.714 1.00 30.00 H new ATOM 0 HA TYR A 92 9.783 -2.472 -14.676 1.00 12.34 H new ATOM 0 HB2 TYR A 92 8.538 -2.210 -11.957 1.00 41.45 H new ATOM 0 HB3 TYR A 92 9.335 -3.725 -12.335 1.00 41.45 H new ATOM 0 HD1 TYR A 92 9.839 -0.556 -10.956 1.00 74.42 H new ATOM 0 HD2 TYR A 92 11.762 -3.372 -13.511 1.00 72.32 H new ATOM 0 HE1 TYR A 92 12.013 0.462 -10.440 1.00 61.34 H new ATOM 0 HE2 TYR A 92 13.937 -2.359 -12.995 1.00 34.51 H new ATOM 0 HH TYR A 92 15.030 -0.796 -11.882 1.00 53.11 H new ATOM 1390 N ILE A 93 8.537 -4.424 -15.509 1.00 14.33 N ATOM 1391 CA ILE A 93 7.843 -5.601 -16.017 1.00 12.51 C ATOM 1392 C ILE A 93 8.268 -6.857 -15.264 1.00 53.12 C ATOM 1393 O ILE A 93 9.444 -7.219 -15.253 1.00 62.13 O ATOM 1394 CB ILE A 93 8.105 -5.803 -17.521 1.00 24.22 C ATOM 1395 CG1 ILE A 93 7.862 -4.499 -18.284 1.00 21.35 C ATOM 1396 CG2 ILE A 93 7.223 -6.915 -18.067 1.00 60.54 C ATOM 1397 CD1 ILE A 93 8.142 -4.605 -19.766 1.00 61.32 C ATOM 0 H ILE A 93 9.401 -4.198 -16.002 1.00 14.33 H new ATOM 0 HA ILE A 93 6.777 -5.431 -15.862 1.00 12.51 H new ATOM 0 HB ILE A 93 9.147 -6.092 -17.657 1.00 24.22 H new ATOM 0 HG12 ILE A 93 6.827 -4.190 -18.139 1.00 21.35 H new ATOM 0 HG13 ILE A 93 8.490 -3.716 -17.859 1.00 21.35 H new ATOM 0 HG21 ILE A 93 7.420 -7.046 -19.131 1.00 60.54 H new ATOM 0 HG22 ILE A 93 7.441 -7.844 -17.541 1.00 60.54 H new ATOM 0 HG23 ILE A 93 6.175 -6.653 -17.921 1.00 60.54 H new ATOM 0 HD11 ILE A 93 7.948 -3.644 -20.243 1.00 61.32 H new ATOM 0 HD12 ILE A 93 9.185 -4.883 -19.920 1.00 61.32 H new ATOM 0 HD13 ILE A 93 7.495 -5.364 -20.205 1.00 61.32 H new ATOM 1409 N VAL A 94 7.301 -7.519 -14.637 1.00 22.44 N ATOM 1410 CA VAL A 94 7.574 -8.738 -13.884 1.00 11.24 C ATOM 1411 C VAL A 94 6.811 -9.924 -14.462 1.00 50.05 C ATOM 1412 O VAL A 94 5.740 -9.760 -15.048 1.00 20.13 O ATOM 1413 CB VAL A 94 7.199 -8.576 -12.399 1.00 10.44 C ATOM 1414 CG1 VAL A 94 5.693 -8.434 -12.240 1.00 52.24 C ATOM 1415 CG2 VAL A 94 7.720 -9.751 -11.586 1.00 63.43 C ATOM 0 H VAL A 94 6.322 -7.232 -14.635 1.00 22.44 H new ATOM 0 HA VAL A 94 8.645 -8.925 -13.963 1.00 11.24 H new ATOM 0 HB VAL A 94 7.667 -7.667 -12.022 1.00 10.44 H new ATOM 0 HG11 VAL A 94 5.448 -8.321 -11.184 1.00 52.24 H new ATOM 0 HG12 VAL A 94 5.350 -7.556 -12.788 1.00 52.24 H new ATOM 0 HG13 VAL A 94 5.200 -9.323 -12.634 1.00 52.24 H new ATOM 0 HG21 VAL A 94 7.446 -9.619 -10.539 1.00 63.43 H new ATOM 0 HG22 VAL A 94 7.283 -10.676 -11.962 1.00 63.43 H new ATOM 0 HG23 VAL A 94 8.805 -9.801 -11.673 1.00 63.43 H new ATOM 1425 N ILE A 95 7.369 -11.118 -14.295 1.00 20.13 N ATOM 1426 CA ILE A 95 6.739 -12.333 -14.798 1.00 2.43 C ATOM 1427 C ILE A 95 6.543 -13.353 -13.682 1.00 2.15 C ATOM 1428 O ILE A 95 7.509 -13.841 -13.096 1.00 74.40 O ATOM 1429 CB ILE A 95 7.572 -12.974 -15.924 1.00 12.34 C ATOM 1430 CG1 ILE A 95 7.869 -11.945 -17.017 1.00 20.23 C ATOM 1431 CG2 ILE A 95 6.841 -14.175 -16.504 1.00 23.51 C ATOM 1432 CD1 ILE A 95 6.631 -11.440 -17.724 1.00 70.21 C ATOM 0 H ILE A 95 8.256 -11.270 -13.815 1.00 20.13 H new ATOM 0 HA ILE A 95 5.767 -12.043 -15.196 1.00 2.43 H new ATOM 0 HB ILE A 95 8.519 -13.316 -15.507 1.00 12.34 H new ATOM 0 HG12 ILE A 95 8.396 -11.099 -16.575 1.00 20.23 H new ATOM 0 HG13 ILE A 95 8.541 -12.390 -17.751 1.00 20.23 H new ATOM 0 HG21 ILE A 95 7.442 -14.618 -17.299 1.00 23.51 H new ATOM 0 HG22 ILE A 95 6.675 -14.914 -15.720 1.00 23.51 H new ATOM 0 HG23 ILE A 95 5.881 -13.856 -16.910 1.00 23.51 H new ATOM 0 HD11 ILE A 95 6.917 -10.714 -18.485 1.00 70.21 H new ATOM 0 HD12 ILE A 95 6.115 -12.276 -18.196 1.00 70.21 H new ATOM 0 HD13 ILE A 95 5.968 -10.965 -17.001 1.00 70.21 H new ATOM 1444 N GLY A 96 5.285 -13.672 -13.393 1.00 20.02 N ATOM 1445 CA GLY A 96 4.985 -14.634 -12.348 1.00 54.25 C ATOM 1446 C GLY A 96 5.544 -14.221 -11.002 1.00 13.35 C ATOM 1447 O GLY A 96 5.902 -13.060 -10.799 1.00 72.31 O ATOM 0 H GLY A 96 4.469 -13.282 -13.864 1.00 20.02 H new ATOM 0 HA2 GLY A 96 3.905 -14.754 -12.268 1.00 54.25 H new ATOM 0 HA3 GLY A 96 5.394 -15.606 -12.625 1.00 54.25 H new ATOM 1451 N VAL A 97 5.618 -15.172 -10.076 1.00 72.22 N ATOM 1452 CA VAL A 97 6.138 -14.901 -8.741 1.00 73.42 C ATOM 1453 C VAL A 97 7.102 -15.995 -8.295 1.00 13.23 C ATOM 1454 O VAL A 97 7.135 -17.081 -8.871 1.00 32.20 O ATOM 1455 CB VAL A 97 5.000 -14.782 -7.709 1.00 63.44 C ATOM 1456 CG1 VAL A 97 4.165 -13.540 -7.977 1.00 13.24 C ATOM 1457 CG2 VAL A 97 4.133 -16.032 -7.727 1.00 20.04 C ATOM 0 H VAL A 97 5.324 -16.137 -10.226 1.00 72.22 H new ATOM 0 HA VAL A 97 6.670 -13.951 -8.795 1.00 73.42 H new ATOM 0 HB VAL A 97 5.440 -14.687 -6.716 1.00 63.44 H new ATOM 0 HG11 VAL A 97 3.366 -13.472 -7.239 1.00 13.24 H new ATOM 0 HG12 VAL A 97 4.797 -12.655 -7.910 1.00 13.24 H new ATOM 0 HG13 VAL A 97 3.732 -13.601 -8.975 1.00 13.24 H new ATOM 0 HG21 VAL A 97 3.334 -15.931 -6.992 1.00 20.04 H new ATOM 0 HG22 VAL A 97 3.700 -16.160 -8.719 1.00 20.04 H new ATOM 0 HG23 VAL A 97 4.743 -16.902 -7.483 1.00 20.04 H new ATOM 1467 N GLY A 98 7.886 -15.699 -7.262 1.00 61.53 N ATOM 1468 CA GLY A 98 8.840 -16.668 -6.754 1.00 71.14 C ATOM 1469 C GLY A 98 10.105 -16.017 -6.232 1.00 0.12 C ATOM 1470 O GLY A 98 10.170 -14.796 -6.093 1.00 32.11 O ATOM 0 H GLY A 98 7.877 -14.806 -6.769 1.00 61.53 H new ATOM 0 HA2 GLY A 98 8.376 -17.246 -5.955 1.00 71.14 H new ATOM 0 HA3 GLY A 98 9.097 -17.370 -7.547 1.00 71.14 H new ATOM 1474 N GLU A 99 11.112 -16.834 -5.940 1.00 43.00 N ATOM 1475 CA GLU A 99 12.381 -16.329 -5.428 1.00 12.01 C ATOM 1476 C GLU A 99 13.277 -15.854 -6.568 1.00 1.53 C ATOM 1477 O GLU A 99 14.005 -14.870 -6.432 1.00 12.31 O ATOM 1478 CB GLU A 99 13.097 -17.412 -4.619 1.00 22.31 C ATOM 1479 CG GLU A 99 13.500 -18.622 -5.445 1.00 23.20 C ATOM 1480 CD GLU A 99 13.736 -19.856 -4.596 1.00 22.13 C ATOM 1481 OE1 GLU A 99 14.782 -19.916 -3.916 1.00 21.33 O ATOM 1482 OE2 GLU A 99 12.876 -20.761 -4.611 1.00 50.00 O ATOM 0 H GLU A 99 11.074 -17.847 -6.049 1.00 43.00 H new ATOM 0 HA GLU A 99 12.169 -15.480 -4.778 1.00 12.01 H new ATOM 0 HB2 GLU A 99 13.988 -16.982 -4.161 1.00 22.31 H new ATOM 0 HB3 GLU A 99 12.446 -17.737 -3.807 1.00 22.31 H new ATOM 0 HG2 GLU A 99 12.721 -18.833 -6.177 1.00 23.20 H new ATOM 0 HG3 GLU A 99 14.407 -18.390 -6.003 1.00 23.20 H new ATOM 1489 N LYS A 100 13.220 -16.560 -7.692 1.00 15.23 N ATOM 1490 CA LYS A 100 14.025 -16.212 -8.857 1.00 14.15 C ATOM 1491 C LYS A 100 13.224 -15.360 -9.837 1.00 21.25 C ATOM 1492 O LYS A 100 13.397 -15.464 -11.051 1.00 44.00 O ATOM 1493 CB LYS A 100 14.523 -17.479 -9.555 1.00 33.42 C ATOM 1494 CG LYS A 100 15.626 -18.198 -8.797 1.00 14.21 C ATOM 1495 CD LYS A 100 16.809 -18.510 -9.697 1.00 42.33 C ATOM 1496 CE LYS A 100 17.790 -17.349 -9.750 1.00 43.43 C ATOM 1497 NZ LYS A 100 17.297 -16.245 -10.620 1.00 0.35 N ATOM 0 H LYS A 100 12.624 -17.378 -7.821 1.00 15.23 H new ATOM 0 HA LYS A 100 14.882 -15.632 -8.515 1.00 14.15 H new ATOM 0 HB2 LYS A 100 13.684 -18.161 -9.693 1.00 33.42 H new ATOM 0 HB3 LYS A 100 14.887 -17.217 -10.548 1.00 33.42 H new ATOM 0 HG2 LYS A 100 15.956 -17.581 -7.961 1.00 14.21 H new ATOM 0 HG3 LYS A 100 15.235 -19.124 -8.375 1.00 14.21 H new ATOM 0 HD2 LYS A 100 17.319 -19.402 -9.333 1.00 42.33 H new ATOM 0 HD3 LYS A 100 16.453 -18.734 -10.703 1.00 42.33 H new ATOM 0 HE2 LYS A 100 17.958 -16.970 -8.742 1.00 43.43 H new ATOM 0 HE3 LYS A 100 18.752 -17.703 -10.122 1.00 43.43 H new ATOM 0 HZ1 LYS A 100 18.073 -15.579 -10.808 1.00 0.35 H new ATOM 0 HZ2 LYS A 100 16.953 -16.639 -11.519 1.00 0.35 H new ATOM 0 HZ3 LYS A 100 16.521 -15.746 -10.141 1.00 0.35 H new ATOM 1511 N LYS A 101 12.348 -14.517 -9.301 1.00 52.35 N ATOM 1512 CA LYS A 101 11.522 -13.645 -10.128 1.00 12.51 C ATOM 1513 C LYS A 101 12.383 -12.829 -11.087 1.00 54.22 C ATOM 1514 O LYS A 101 13.555 -12.570 -10.816 1.00 45.10 O ATOM 1515 CB LYS A 101 10.693 -12.707 -9.246 1.00 63.24 C ATOM 1516 CG LYS A 101 9.381 -13.313 -8.779 1.00 25.31 C ATOM 1517 CD LYS A 101 8.676 -12.412 -7.780 1.00 35.12 C ATOM 1518 CE LYS A 101 8.301 -11.076 -8.402 1.00 52.22 C ATOM 1519 NZ LYS A 101 7.617 -10.182 -7.427 1.00 4.21 N ATOM 0 H LYS A 101 12.192 -14.419 -8.298 1.00 52.35 H new ATOM 0 HA LYS A 101 10.850 -14.271 -10.714 1.00 12.51 H new ATOM 0 HB2 LYS A 101 11.284 -12.425 -8.375 1.00 63.24 H new ATOM 0 HB3 LYS A 101 10.484 -11.792 -9.800 1.00 63.24 H new ATOM 0 HG2 LYS A 101 8.732 -13.484 -9.638 1.00 25.31 H new ATOM 0 HG3 LYS A 101 9.570 -14.285 -8.324 1.00 25.31 H new ATOM 0 HD2 LYS A 101 7.778 -12.908 -7.412 1.00 35.12 H new ATOM 0 HD3 LYS A 101 9.323 -12.245 -6.919 1.00 35.12 H new ATOM 0 HE2 LYS A 101 9.199 -10.585 -8.777 1.00 52.22 H new ATOM 0 HE3 LYS A 101 7.649 -11.245 -9.259 1.00 52.22 H new ATOM 0 HZ1 LYS A 101 7.378 -9.282 -7.890 1.00 4.21 H new ATOM 0 HZ2 LYS A 101 6.746 -10.639 -7.088 1.00 4.21 H new ATOM 0 HZ3 LYS A 101 8.248 -10.000 -6.621 1.00 4.21 H new ATOM 1533 N ILE A 102 11.793 -12.426 -12.207 1.00 55.15 N ATOM 1534 CA ILE A 102 12.505 -11.637 -13.205 1.00 3.14 C ATOM 1535 C ILE A 102 11.892 -10.248 -13.348 1.00 32.22 C ATOM 1536 O ILE A 102 10.670 -10.091 -13.330 1.00 64.42 O ATOM 1537 CB ILE A 102 12.502 -12.331 -14.579 1.00 64.42 C ATOM 1538 CG1 ILE A 102 11.081 -12.390 -15.142 1.00 51.24 C ATOM 1539 CG2 ILE A 102 13.092 -13.730 -14.467 1.00 55.44 C ATOM 1540 CD1 ILE A 102 10.997 -13.044 -16.504 1.00 12.13 C ATOM 0 H ILE A 102 10.823 -12.633 -12.446 1.00 55.15 H new ATOM 0 HA ILE A 102 13.534 -11.543 -12.857 1.00 3.14 H new ATOM 0 HB ILE A 102 13.120 -11.751 -15.264 1.00 64.42 H new ATOM 0 HG12 ILE A 102 10.445 -12.937 -14.446 1.00 51.24 H new ATOM 0 HG13 ILE A 102 10.683 -11.377 -15.209 1.00 51.24 H new ATOM 0 HG21 ILE A 102 13.083 -14.208 -15.447 1.00 55.44 H new ATOM 0 HG22 ILE A 102 14.118 -13.664 -14.105 1.00 55.44 H new ATOM 0 HG23 ILE A 102 12.498 -14.321 -13.770 1.00 55.44 H new ATOM 0 HD11 ILE A 102 9.960 -13.051 -16.841 1.00 12.13 H new ATOM 0 HD12 ILE A 102 11.606 -12.485 -17.214 1.00 12.13 H new ATOM 0 HD13 ILE A 102 11.364 -14.068 -16.439 1.00 12.13 H new ATOM 1552 N THR A 103 12.748 -9.241 -13.492 1.00 34.03 N ATOM 1553 CA THR A 103 12.291 -7.865 -13.638 1.00 53.11 C ATOM 1554 C THR A 103 13.157 -7.101 -14.633 1.00 0.21 C ATOM 1555 O THR A 103 14.364 -7.330 -14.725 1.00 14.33 O ATOM 1556 CB THR A 103 12.302 -7.122 -12.289 1.00 23.55 C ATOM 1557 OG1 THR A 103 13.403 -7.573 -11.491 1.00 31.10 O ATOM 1558 CG2 THR A 103 10.999 -7.347 -11.536 1.00 41.34 C ATOM 0 H THR A 103 13.762 -9.353 -13.511 1.00 34.03 H new ATOM 0 HA THR A 103 11.268 -7.910 -14.010 1.00 53.11 H new ATOM 0 HB THR A 103 12.409 -6.056 -12.488 1.00 23.55 H new ATOM 0 HG1 THR A 103 13.404 -7.095 -10.636 1.00 31.10 H new ATOM 0 HG21 THR A 103 11.030 -6.813 -10.587 1.00 41.34 H new ATOM 0 HG22 THR A 103 10.165 -6.977 -12.133 1.00 41.34 H new ATOM 0 HG23 THR A 103 10.867 -8.413 -11.348 1.00 41.34 H new ATOM 1566 N HIS A 104 12.535 -6.191 -15.376 1.00 73.43 N ATOM 1567 CA HIS A 104 13.250 -5.393 -16.365 1.00 41.40 C ATOM 1568 C HIS A 104 12.836 -3.927 -16.282 1.00 14.40 C ATOM 1569 O HIS A 104 11.647 -3.605 -16.293 1.00 32.33 O ATOM 1570 CB HIS A 104 12.988 -5.930 -17.772 1.00 52.12 C ATOM 1571 CG HIS A 104 13.642 -5.125 -18.852 1.00 52.54 C ATOM 1572 ND1 HIS A 104 13.218 -4.023 -19.516 1.00 23.34 N flip ATOM 1573 CD2 HIS A 104 14.884 -5.426 -19.369 1.00 32.43 C flip ATOM 1574 CE1 HIS A 104 14.202 -3.683 -20.410 1.00 41.34 C flip ATOM 1575 NE2 HIS A 104 15.197 -4.545 -20.301 1.00 42.34 N flip ATOM 0 H HIS A 104 11.537 -5.988 -15.312 1.00 73.43 H new ATOM 0 HA HIS A 104 14.316 -5.464 -16.150 1.00 41.40 H new ATOM 0 HB2 HIS A 104 13.343 -6.959 -17.831 1.00 52.12 H new ATOM 0 HB3 HIS A 104 11.913 -5.954 -17.949 1.00 52.12 H new ATOM 0 HD2 HIS A 104 15.505 -6.254 -19.060 1.00 32.43 H new ATOM 0 HE1 HIS A 104 14.168 -2.846 -21.092 1.00 41.34 H new ATOM 0 HE2 HIS A 104 16.060 -4.532 -20.844 1.00 42.34 H new ATOM 1583 N HIS A 105 13.823 -3.041 -16.198 1.00 65.14 N ATOM 1584 CA HIS A 105 13.561 -1.609 -16.113 1.00 41.25 C ATOM 1585 C HIS A 105 13.091 -1.062 -17.458 1.00 34.01 C ATOM 1586 O HIS A 105 13.842 -1.056 -18.433 1.00 53.52 O ATOM 1587 CB HIS A 105 14.817 -0.865 -15.659 1.00 1.14 C ATOM 1588 CG HIS A 105 16.016 -1.134 -16.515 1.00 52.03 C ATOM 1589 ND1 HIS A 105 16.793 -2.265 -16.387 1.00 64.55 N ATOM 1590 CD2 HIS A 105 16.568 -0.411 -17.517 1.00 41.15 C ATOM 1591 CE1 HIS A 105 17.773 -2.226 -17.273 1.00 22.02 C ATOM 1592 NE2 HIS A 105 17.659 -1.111 -17.971 1.00 52.14 N ATOM 0 H HIS A 105 14.812 -3.290 -16.187 1.00 65.14 H new ATOM 0 HA HIS A 105 12.770 -1.453 -15.380 1.00 41.25 H new ATOM 0 HB2 HIS A 105 14.614 0.206 -15.658 1.00 1.14 H new ATOM 0 HB3 HIS A 105 15.044 -1.147 -14.631 1.00 1.14 H new ATOM 0 HD2 HIS A 105 16.216 0.539 -17.890 1.00 41.15 H new ATOM 0 HE1 HIS A 105 18.537 -2.978 -17.404 1.00 22.02 H new ATOM 0 HE2 HIS A 105 18.280 -0.817 -18.725 1.00 52.14 H new ATOM 1600 N TRP A 106 11.844 -0.606 -17.502 1.00 2.43 N ATOM 1601 CA TRP A 106 11.273 -0.058 -18.727 1.00 65.33 C ATOM 1602 C TRP A 106 11.268 1.466 -18.692 1.00 61.10 C ATOM 1603 O TRP A 106 10.818 2.073 -17.719 1.00 71.54 O ATOM 1604 CB TRP A 106 9.850 -0.581 -18.929 1.00 63.23 C ATOM 1605 CG TRP A 106 9.155 0.029 -20.109 1.00 23.32 C ATOM 1606 CD1 TRP A 106 7.915 0.600 -20.124 1.00 10.11 C ATOM 1607 CD2 TRP A 106 9.660 0.126 -21.445 1.00 22.20 C ATOM 1608 NE1 TRP A 106 7.618 1.047 -21.389 1.00 64.41 N ATOM 1609 CE2 TRP A 106 8.673 0.768 -22.218 1.00 2.43 C ATOM 1610 CE3 TRP A 106 10.851 -0.265 -22.063 1.00 73.45 C ATOM 1611 CZ2 TRP A 106 8.842 1.026 -23.576 1.00 31.15 C ATOM 1612 CZ3 TRP A 106 11.016 -0.009 -23.411 1.00 64.53 C ATOM 1613 CH2 TRP A 106 10.017 0.632 -24.155 1.00 61.23 C ATOM 0 H TRP A 106 11.209 -0.605 -16.704 1.00 2.43 H new ATOM 0 HA TRP A 106 11.893 -0.381 -19.563 1.00 65.33 H new ATOM 0 HB2 TRP A 106 9.883 -1.663 -19.055 1.00 63.23 H new ATOM 0 HB3 TRP A 106 9.266 -0.382 -18.030 1.00 63.23 H new ATOM 0 HD1 TRP A 106 7.263 0.688 -19.267 1.00 10.11 H new ATOM 0 HE1 TRP A 106 6.753 1.511 -21.666 1.00 64.41 H new ATOM 0 HE3 TRP A 106 11.628 -0.758 -21.498 1.00 73.45 H new ATOM 0 HZ2 TRP A 106 8.073 1.520 -24.151 1.00 31.15 H new ATOM 0 HZ3 TRP A 106 11.931 -0.308 -23.900 1.00 64.53 H new ATOM 0 HH2 TRP A 106 10.178 0.819 -25.207 1.00 61.23 H new ATOM 1624 N HIS A 107 11.771 2.080 -19.758 1.00 52.23 N ATOM 1625 CA HIS A 107 11.823 3.535 -19.849 1.00 12.02 C ATOM 1626 C HIS A 107 11.447 4.006 -21.251 1.00 20.15 C ATOM 1627 O HIS A 107 11.888 3.433 -22.247 1.00 54.01 O ATOM 1628 CB HIS A 107 13.220 4.040 -19.486 1.00 15.12 C ATOM 1629 CG HIS A 107 13.390 5.516 -19.673 1.00 41.23 C ATOM 1630 ND1 HIS A 107 14.381 6.066 -20.459 1.00 61.51 N ATOM 1631 CD2 HIS A 107 12.688 6.559 -19.173 1.00 14.34 C ATOM 1632 CE1 HIS A 107 14.282 7.383 -20.432 1.00 70.43 C ATOM 1633 NE2 HIS A 107 13.262 7.708 -19.659 1.00 32.10 N ATOM 0 H HIS A 107 12.148 1.593 -20.571 1.00 52.23 H new ATOM 0 HA HIS A 107 11.102 3.945 -19.142 1.00 12.02 H new ATOM 0 HB2 HIS A 107 13.430 3.787 -18.447 1.00 15.12 H new ATOM 0 HB3 HIS A 107 13.956 3.517 -20.097 1.00 15.12 H new ATOM 0 HD2 HIS A 107 11.835 6.499 -18.514 1.00 14.34 H new ATOM 0 HE1 HIS A 107 14.926 8.076 -20.953 1.00 70.43 H new ATOM 0 HE2 HIS A 107 12.951 8.658 -19.456 1.00 32.10 H new ATOM 1641 N ARG A 108 10.630 5.052 -21.319 1.00 30.11 N ATOM 1642 CA ARG A 108 10.194 5.598 -22.598 1.00 53.23 C ATOM 1643 C ARG A 108 11.195 6.624 -23.121 1.00 13.40 C ATOM 1644 O ARG A 108 11.463 7.633 -22.469 1.00 14.25 O ATOM 1645 CB ARG A 108 8.813 6.242 -22.458 1.00 2.21 C ATOM 1646 CG ARG A 108 8.309 6.887 -23.739 1.00 11.15 C ATOM 1647 CD ARG A 108 6.981 7.595 -23.520 1.00 72.12 C ATOM 1648 NE ARG A 108 7.162 8.970 -23.064 1.00 42.41 N ATOM 1649 CZ ARG A 108 7.459 9.980 -23.874 1.00 42.25 C ATOM 1650 NH1 ARG A 108 7.607 9.769 -25.175 1.00 40.41 N ATOM 1651 NH2 ARG A 108 7.608 11.204 -23.384 1.00 44.11 N ATOM 0 H ARG A 108 10.257 5.538 -20.503 1.00 30.11 H new ATOM 0 HA ARG A 108 10.134 4.778 -23.313 1.00 53.23 H new ATOM 0 HB2 ARG A 108 8.099 5.484 -22.138 1.00 2.21 H new ATOM 0 HB3 ARG A 108 8.851 6.996 -21.672 1.00 2.21 H new ATOM 0 HG2 ARG A 108 9.048 7.601 -24.103 1.00 11.15 H new ATOM 0 HG3 ARG A 108 8.194 6.126 -24.510 1.00 11.15 H new ATOM 0 HD2 ARG A 108 6.412 7.593 -24.450 1.00 72.12 H new ATOM 0 HD3 ARG A 108 6.393 7.044 -22.786 1.00 72.12 H new ATOM 0 HE ARG A 108 7.054 9.166 -22.069 1.00 42.41 H new ATOM 0 HH11 ARG A 108 7.493 8.830 -25.556 1.00 40.41 H new ATOM 0 HH12 ARG A 108 7.835 10.546 -25.795 1.00 40.41 H new ATOM 0 HH21 ARG A 108 7.495 11.370 -22.384 1.00 44.11 H new ATOM 0 HH22 ARG A 108 7.836 11.979 -24.007 1.00 44.11 H new