USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 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 -157:sc= 0.113 USER MOD Set 1.2: A 105 HIS : no HE2:sc= 0.0966 X(o=0.21,f=-0.12) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -26:sc= 0.877 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= -0.0991 X(o=-0.099,f=-0.26) 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= -0.0759 X(o=-0.076,f=-0.074) 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= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 51 MET CE :methyl 161:sc= -1.19 (180deg=-2.57!) 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=-0.17) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 68 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.1) 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 USER MOD Single : A 77 ASN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0129 (180deg=-0.0129) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 7:sc= 1.19 USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= -0.0769 (180deg=-0.348) 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= -0.31 X(o=-0.31,f=-0.092) USER MOD Single : A 107 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.00019) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 14.703 -22.884 -17.291 1.00 5.14 N ATOM 257 CA ALA A 17 14.774 -21.438 -17.459 1.00 55.22 C ATOM 258 C ALA A 17 14.252 -21.019 -18.830 1.00 10.04 C ATOM 259 O ALA A 17 14.345 -21.774 -19.798 1.00 4.22 O ATOM 260 CB ALA A 17 16.202 -20.952 -17.265 1.00 65.42 C ATOM 0 HA ALA A 17 14.140 -20.978 -16.701 1.00 55.22 H new ATOM 0 HB1 ALA A 17 16.239 -19.870 -17.394 1.00 65.42 H new ATOM 0 HB2 ALA A 17 16.541 -21.210 -16.262 1.00 65.42 H new ATOM 0 HB3 ALA A 17 16.851 -21.427 -18.001 1.00 65.42 H new ATOM 266 N PHE A 18 13.702 -19.812 -18.905 1.00 11.45 N ATOM 267 CA PHE A 18 13.164 -19.293 -20.157 1.00 12.03 C ATOM 268 C PHE A 18 14.225 -18.506 -20.920 1.00 52.30 C ATOM 269 O PHE A 18 15.234 -18.087 -20.351 1.00 72.22 O ATOM 270 CB PHE A 18 11.949 -18.403 -19.885 1.00 4.13 C ATOM 271 CG PHE A 18 10.969 -19.005 -18.919 1.00 2.21 C ATOM 272 CD1 PHE A 18 11.136 -18.846 -17.553 1.00 23.44 C ATOM 273 CD2 PHE A 18 9.881 -19.730 -19.377 1.00 51.33 C ATOM 274 CE1 PHE A 18 10.236 -19.399 -16.661 1.00 51.31 C ATOM 275 CE2 PHE A 18 8.977 -20.284 -18.491 1.00 2.13 C ATOM 276 CZ PHE A 18 9.156 -20.119 -17.131 1.00 35.31 C ATOM 0 H PHE A 18 13.617 -19.175 -18.113 1.00 11.45 H new ATOM 0 HA PHE A 18 12.855 -20.140 -20.769 1.00 12.03 H new ATOM 0 HB2 PHE A 18 12.291 -17.445 -19.494 1.00 4.13 H new ATOM 0 HB3 PHE A 18 11.440 -18.199 -20.827 1.00 4.13 H new ATOM 0 HD1 PHE A 18 11.979 -18.283 -17.180 1.00 23.44 H new ATOM 0 HD2 PHE A 18 9.738 -19.864 -20.439 1.00 51.33 H new ATOM 0 HE1 PHE A 18 10.378 -19.268 -15.598 1.00 51.31 H new ATOM 0 HE2 PHE A 18 8.132 -20.845 -18.861 1.00 2.13 H new ATOM 0 HZ PHE A 18 8.452 -20.553 -16.436 1.00 35.31 H new ATOM 286 N THR A 19 13.990 -18.308 -22.214 1.00 10.45 N ATOM 287 CA THR A 19 14.924 -17.572 -23.056 1.00 42.21 C ATOM 288 C THR A 19 14.194 -16.566 -23.938 1.00 11.50 C ATOM 289 O THR A 19 13.093 -16.832 -24.420 1.00 53.41 O ATOM 290 CB THR A 19 15.743 -18.522 -23.950 1.00 74.24 C ATOM 291 OG1 THR A 19 15.888 -19.794 -23.309 1.00 63.21 O ATOM 292 CG2 THR A 19 17.115 -17.938 -24.247 1.00 44.10 C ATOM 0 H THR A 19 13.161 -18.647 -22.701 1.00 10.45 H new ATOM 0 HA THR A 19 15.601 -17.041 -22.387 1.00 42.21 H new ATOM 0 HB THR A 19 15.209 -18.649 -24.892 1.00 74.24 H new ATOM 0 HG1 THR A 19 16.408 -20.393 -23.884 1.00 63.21 H new ATOM 0 HG21 THR A 19 17.674 -18.627 -24.880 1.00 44.10 H new ATOM 0 HG22 THR A 19 17.001 -16.984 -24.762 1.00 44.10 H new ATOM 0 HG23 THR A 19 17.655 -17.784 -23.313 1.00 44.10 H new ATOM 300 N PHE A 20 14.814 -15.409 -24.146 1.00 51.31 N ATOM 301 CA PHE A 20 14.223 -14.362 -24.972 1.00 33.13 C ATOM 302 C PHE A 20 14.210 -14.771 -26.442 1.00 31.33 C ATOM 303 O PHE A 20 15.228 -15.196 -26.989 1.00 72.14 O ATOM 304 CB PHE A 20 14.995 -13.052 -24.802 1.00 72.01 C ATOM 305 CG PHE A 20 14.771 -12.392 -23.471 1.00 70.44 C ATOM 306 CD1 PHE A 20 13.503 -11.983 -23.091 1.00 22.34 C ATOM 307 CD2 PHE A 20 15.829 -12.181 -22.602 1.00 14.14 C ATOM 308 CE1 PHE A 20 13.294 -11.376 -21.867 1.00 33.25 C ATOM 309 CE2 PHE A 20 15.625 -11.575 -21.376 1.00 41.22 C ATOM 310 CZ PHE A 20 14.356 -11.171 -21.009 1.00 4.12 C ATOM 0 H PHE A 20 15.726 -15.173 -23.754 1.00 51.31 H new ATOM 0 HA PHE A 20 13.194 -14.214 -24.645 1.00 33.13 H new ATOM 0 HB2 PHE A 20 16.060 -13.248 -24.926 1.00 72.01 H new ATOM 0 HB3 PHE A 20 14.703 -12.362 -25.594 1.00 72.01 H new ATOM 0 HD1 PHE A 20 12.669 -12.140 -23.759 1.00 22.34 H new ATOM 0 HD2 PHE A 20 16.823 -12.493 -22.885 1.00 14.14 H new ATOM 0 HE1 PHE A 20 12.301 -11.062 -21.582 1.00 33.25 H new ATOM 0 HE2 PHE A 20 16.457 -11.418 -20.706 1.00 41.22 H new ATOM 0 HZ PHE A 20 14.195 -10.696 -20.053 1.00 4.12 H new ATOM 320 N THR A 21 13.049 -14.641 -27.076 1.00 52.21 N ATOM 321 CA THR A 21 12.901 -14.998 -28.481 1.00 44.34 C ATOM 322 C THR A 21 12.558 -13.776 -29.326 1.00 35.12 C ATOM 323 O THR A 21 13.020 -13.641 -30.459 1.00 4.03 O ATOM 324 CB THR A 21 11.810 -16.067 -28.678 1.00 23.11 C ATOM 325 OG1 THR A 21 10.525 -15.520 -28.361 1.00 24.10 O ATOM 326 CG2 THR A 21 12.080 -17.282 -27.803 1.00 74.10 C ATOM 0 H THR A 21 12.197 -14.291 -26.638 1.00 52.21 H new ATOM 0 HA THR A 21 13.859 -15.404 -28.806 1.00 44.34 H new ATOM 0 HB THR A 21 11.823 -16.380 -29.722 1.00 23.11 H new ATOM 0 HG1 THR A 21 10.631 -14.786 -27.720 1.00 24.10 H new ATOM 0 HG21 THR A 21 11.297 -18.024 -27.959 1.00 74.10 H new ATOM 0 HG22 THR A 21 13.046 -17.713 -28.067 1.00 74.10 H new ATOM 0 HG23 THR A 21 12.091 -16.981 -26.756 1.00 74.10 H new ATOM 334 N LYS A 22 11.743 -12.887 -28.768 1.00 21.04 N ATOM 335 CA LYS A 22 11.337 -11.674 -29.468 1.00 63.54 C ATOM 336 C LYS A 22 11.724 -10.431 -28.673 1.00 74.42 C ATOM 337 O LYS A 22 11.079 -10.094 -27.680 1.00 11.31 O ATOM 338 CB LYS A 22 9.827 -11.685 -29.717 1.00 23.34 C ATOM 339 CG LYS A 22 9.372 -10.662 -30.742 1.00 41.42 C ATOM 340 CD LYS A 22 9.536 -11.182 -32.160 1.00 63.03 C ATOM 341 CE LYS A 22 8.389 -12.099 -32.554 1.00 34.32 C ATOM 342 NZ LYS A 22 8.218 -12.172 -34.031 1.00 50.44 N ATOM 0 H LYS A 22 11.350 -12.984 -27.832 1.00 21.04 H new ATOM 0 HA LYS A 22 11.856 -11.646 -30.426 1.00 63.54 H new ATOM 0 HB2 LYS A 22 9.530 -12.679 -30.051 1.00 23.34 H new ATOM 0 HB3 LYS A 22 9.311 -11.498 -28.775 1.00 23.34 H new ATOM 0 HG2 LYS A 22 8.327 -10.409 -30.565 1.00 41.42 H new ATOM 0 HG3 LYS A 22 9.947 -9.744 -30.621 1.00 41.42 H new ATOM 0 HD2 LYS A 22 9.586 -10.342 -32.853 1.00 63.03 H new ATOM 0 HD3 LYS A 22 10.480 -11.721 -32.244 1.00 63.03 H new ATOM 0 HE2 LYS A 22 8.572 -13.099 -32.160 1.00 34.32 H new ATOM 0 HE3 LYS A 22 7.465 -11.741 -32.099 1.00 34.32 H new ATOM 0 HZ1 LYS A 22 7.426 -12.807 -34.258 1.00 50.44 H new ATOM 0 HZ2 LYS A 22 8.018 -11.222 -34.405 1.00 50.44 H new ATOM 0 HZ3 LYS A 22 9.090 -12.538 -34.464 1.00 50.44 H new ATOM 356 N ILE A 23 12.777 -9.754 -29.117 1.00 62.51 N ATOM 357 CA ILE A 23 13.247 -8.548 -28.448 1.00 12.14 C ATOM 358 C ILE A 23 12.129 -7.519 -28.321 1.00 14.11 C ATOM 359 O ILE A 23 11.404 -7.232 -29.274 1.00 43.12 O ATOM 360 CB ILE A 23 14.432 -7.912 -29.199 1.00 34.24 C ATOM 361 CG1 ILE A 23 15.567 -8.926 -29.356 1.00 11.30 C ATOM 362 CG2 ILE A 23 14.919 -6.672 -28.465 1.00 45.20 C ATOM 363 CD1 ILE A 23 15.639 -9.542 -30.735 1.00 64.53 C ATOM 0 H ILE A 23 13.321 -10.020 -29.938 1.00 62.51 H new ATOM 0 HA ILE A 23 13.577 -8.848 -27.453 1.00 12.14 H new ATOM 0 HB ILE A 23 14.097 -7.614 -30.192 1.00 34.24 H new ATOM 0 HG12 ILE A 23 16.515 -8.435 -29.136 1.00 11.30 H new ATOM 0 HG13 ILE A 23 15.440 -9.719 -28.619 1.00 11.30 H new ATOM 0 HG21 ILE A 23 15.757 -6.234 -29.008 1.00 45.20 H new ATOM 0 HG22 ILE A 23 14.109 -5.946 -28.400 1.00 45.20 H new ATOM 0 HG23 ILE A 23 15.241 -6.947 -27.461 1.00 45.20 H new ATOM 0 HD11 ILE A 23 16.466 -10.251 -30.774 1.00 64.53 H new ATOM 0 HD12 ILE A 23 14.705 -10.062 -30.951 1.00 64.53 H new ATOM 0 HD13 ILE A 23 15.797 -8.758 -31.476 1.00 64.53 H new ATOM 375 N PRO A 24 11.984 -6.948 -27.116 1.00 0.40 N ATOM 376 CA PRO A 24 10.957 -5.939 -26.836 1.00 65.21 C ATOM 377 C PRO A 24 11.239 -4.615 -27.539 1.00 35.43 C ATOM 378 O PRO A 24 12.394 -4.240 -27.737 1.00 74.21 O ATOM 379 CB PRO A 24 11.036 -5.766 -25.317 1.00 54.43 C ATOM 380 CG PRO A 24 12.427 -6.161 -24.962 1.00 3.01 C ATOM 381 CD PRO A 24 12.812 -7.242 -25.934 1.00 51.42 C ATOM 0 HA PRO A 24 9.974 -6.246 -27.193 1.00 65.21 H new ATOM 0 HB2 PRO A 24 10.830 -4.736 -25.025 1.00 54.43 H new ATOM 0 HB3 PRO A 24 10.304 -6.394 -24.809 1.00 54.43 H new ATOM 0 HG2 PRO A 24 13.105 -5.311 -25.036 1.00 3.01 H new ATOM 0 HG3 PRO A 24 12.480 -6.523 -23.935 1.00 3.01 H new ATOM 0 HD2 PRO A 24 13.876 -7.210 -26.170 1.00 51.42 H new ATOM 0 HD3 PRO A 24 12.604 -8.235 -25.534 1.00 51.42 H new ATOM 389 N ALA A 25 10.175 -3.912 -27.913 1.00 11.35 N ATOM 390 CA ALA A 25 10.308 -2.628 -28.591 1.00 72.50 C ATOM 391 C ALA A 25 8.976 -1.886 -28.627 1.00 4.11 C ATOM 392 O ALA A 25 7.988 -2.392 -29.157 1.00 41.44 O ATOM 393 CB ALA A 25 10.840 -2.830 -30.002 1.00 60.21 C ATOM 0 H ALA A 25 9.212 -4.210 -27.758 1.00 11.35 H new ATOM 0 HA ALA A 25 11.018 -2.020 -28.030 1.00 72.50 H new ATOM 0 HB1 ALA A 25 10.935 -1.864 -30.497 1.00 60.21 H new ATOM 0 HB2 ALA A 25 11.817 -3.312 -29.957 1.00 60.21 H new ATOM 0 HB3 ALA A 25 10.150 -3.460 -30.564 1.00 60.21 H new ATOM 399 N GLU A 26 8.959 -0.684 -28.058 1.00 74.34 N ATOM 400 CA GLU A 26 7.747 0.126 -28.024 1.00 73.11 C ATOM 401 C GLU A 26 7.375 0.608 -29.423 1.00 52.03 C ATOM 402 O GLU A 26 8.244 0.844 -30.263 1.00 50.22 O ATOM 403 CB GLU A 26 7.935 1.325 -27.093 1.00 14.24 C ATOM 404 CG GLU A 26 6.799 2.332 -27.160 1.00 53.10 C ATOM 405 CD GLU A 26 7.072 3.455 -28.142 1.00 72.21 C ATOM 406 OE1 GLU A 26 8.037 3.335 -28.926 1.00 30.13 O ATOM 407 OE2 GLU A 26 6.321 4.453 -28.127 1.00 64.40 O ATOM 0 H GLU A 26 9.769 -0.251 -27.615 1.00 74.34 H new ATOM 0 HA GLU A 26 6.936 -0.496 -27.645 1.00 73.11 H new ATOM 0 HB2 GLU A 26 8.032 0.967 -26.068 1.00 14.24 H new ATOM 0 HB3 GLU A 26 8.869 1.827 -27.345 1.00 14.24 H new ATOM 0 HG2 GLU A 26 5.881 1.819 -27.446 1.00 53.10 H new ATOM 0 HG3 GLU A 26 6.633 2.754 -26.169 1.00 53.10 H new ATOM 414 N THR A 27 6.076 0.752 -29.668 1.00 31.34 N ATOM 415 CA THR A 27 5.588 1.205 -30.964 1.00 15.23 C ATOM 416 C THR A 27 4.807 2.508 -30.832 1.00 42.11 C ATOM 417 O THR A 27 4.743 3.099 -29.753 1.00 50.12 O ATOM 418 CB THR A 27 4.687 0.146 -31.627 1.00 24.30 C ATOM 419 OG1 THR A 27 3.474 -0.002 -30.881 1.00 72.25 O ATOM 420 CG2 THR A 27 5.402 -1.194 -31.713 1.00 62.41 C ATOM 0 H THR A 27 5.343 0.561 -28.985 1.00 31.34 H new ATOM 0 HA THR A 27 6.464 1.370 -31.591 1.00 15.23 H new ATOM 0 HB THR A 27 4.453 0.481 -32.637 1.00 24.30 H new ATOM 0 HG1 THR A 27 2.906 -0.676 -31.310 1.00 72.25 H new ATOM 0 HG21 THR A 27 4.747 -1.926 -32.185 1.00 62.41 H new ATOM 0 HG22 THR A 27 6.310 -1.085 -32.306 1.00 62.41 H new ATOM 0 HG23 THR A 27 5.662 -1.533 -30.710 1.00 62.41 H new ATOM 428 N LEU A 28 4.215 2.951 -31.935 1.00 54.23 N ATOM 429 CA LEU A 28 3.437 4.186 -31.943 1.00 61.41 C ATOM 430 C LEU A 28 2.362 4.159 -30.861 1.00 4.00 C ATOM 431 O LEU A 28 2.032 5.190 -30.274 1.00 21.12 O ATOM 432 CB LEU A 28 2.792 4.396 -33.314 1.00 14.32 C ATOM 433 CG LEU A 28 3.610 5.200 -34.325 1.00 22.12 C ATOM 434 CD1 LEU A 28 4.664 4.320 -34.978 1.00 65.21 C ATOM 435 CD2 LEU A 28 2.701 5.817 -35.377 1.00 72.25 C ATOM 0 H LEU A 28 4.258 2.474 -32.836 1.00 54.23 H new ATOM 0 HA LEU A 28 4.114 5.015 -31.736 1.00 61.41 H new ATOM 0 HB2 LEU A 28 2.578 3.418 -33.746 1.00 14.32 H new ATOM 0 HB3 LEU A 28 1.835 4.898 -33.170 1.00 14.32 H new ATOM 0 HG LEU A 28 4.117 6.006 -33.795 1.00 22.12 H new ATOM 0 HD11 LEU A 28 5.237 4.909 -35.695 1.00 65.21 H new ATOM 0 HD12 LEU A 28 5.334 3.927 -34.214 1.00 65.21 H new ATOM 0 HD13 LEU A 28 4.178 3.492 -35.495 1.00 65.21 H new ATOM 0 HD21 LEU A 28 3.301 6.385 -36.088 1.00 72.25 H new ATOM 0 HD22 LEU A 28 2.166 5.027 -35.904 1.00 72.25 H new ATOM 0 HD23 LEU A 28 1.984 6.481 -34.894 1.00 72.25 H new ATOM 447 N HIS A 29 1.821 2.973 -30.600 1.00 43.14 N ATOM 448 CA HIS A 29 0.785 2.812 -29.587 1.00 73.20 C ATOM 449 C HIS A 29 1.358 3.009 -28.187 1.00 41.10 C ATOM 450 O HIS A 29 0.656 3.438 -27.272 1.00 73.35 O ATOM 451 CB HIS A 29 0.144 1.428 -29.698 1.00 62.12 C ATOM 452 CG HIS A 29 -1.291 1.396 -29.271 1.00 1.02 C ATOM 453 ND1 HIS A 29 -2.211 2.350 -29.651 1.00 61.04 N ATOM 454 CD2 HIS A 29 -1.963 0.517 -28.492 1.00 33.40 C ATOM 455 CE1 HIS A 29 -3.387 2.060 -29.124 1.00 23.22 C ATOM 456 NE2 HIS A 29 -3.264 0.951 -28.416 1.00 4.40 N ATOM 0 H HIS A 29 2.083 2.110 -31.076 1.00 43.14 H new ATOM 0 HA HIS A 29 0.023 3.572 -29.759 1.00 73.20 H new ATOM 0 HB2 HIS A 29 0.215 1.086 -30.730 1.00 62.12 H new ATOM 0 HB3 HIS A 29 0.711 0.724 -29.089 1.00 62.12 H new ATOM 0 HD2 HIS A 29 -1.553 -0.362 -28.018 1.00 33.40 H new ATOM 0 HE1 HIS A 29 -4.294 2.632 -29.250 1.00 23.22 H new ATOM 0 HE2 HIS A 29 -4.013 0.492 -27.898 1.00 4.40 H new ATOM 464 N GLY A 30 2.640 2.692 -28.027 1.00 54.33 N ATOM 465 CA GLY A 30 3.285 2.840 -26.736 1.00 11.31 C ATOM 466 C GLY A 30 3.207 1.578 -25.901 1.00 33.14 C ATOM 467 O GLY A 30 3.118 1.640 -24.674 1.00 25.22 O ATOM 0 H GLY A 30 3.243 2.335 -28.769 1.00 54.33 H new ATOM 0 HA2 GLY A 30 4.331 3.110 -26.885 1.00 11.31 H new ATOM 0 HA3 GLY A 30 2.818 3.661 -26.192 1.00 11.31 H new ATOM 471 N THR A 31 3.237 0.427 -26.566 1.00 4.14 N ATOM 472 CA THR A 31 3.168 -0.856 -25.877 1.00 43.41 C ATOM 473 C THR A 31 4.335 -1.755 -26.271 1.00 53.50 C ATOM 474 O THR A 31 4.791 -1.732 -27.414 1.00 55.14 O ATOM 475 CB THR A 31 1.847 -1.586 -26.181 1.00 53.11 C ATOM 476 OG1 THR A 31 1.690 -1.746 -27.595 1.00 73.44 O ATOM 477 CG2 THR A 31 0.661 -0.816 -25.618 1.00 63.43 C ATOM 0 H THR A 31 3.309 0.357 -27.581 1.00 4.14 H new ATOM 0 HA THR A 31 3.220 -0.645 -24.809 1.00 43.41 H new ATOM 0 HB THR A 31 1.882 -2.567 -25.706 1.00 53.11 H new ATOM 0 HG1 THR A 31 0.848 -2.213 -27.780 1.00 73.44 H new ATOM 0 HG21 THR A 31 -0.261 -1.351 -25.845 1.00 63.43 H new ATOM 0 HG22 THR A 31 0.769 -0.721 -24.537 1.00 63.43 H new ATOM 0 HG23 THR A 31 0.625 0.176 -26.068 1.00 63.43 H new ATOM 485 N VAL A 32 4.814 -2.546 -25.317 1.00 20.50 N ATOM 486 CA VAL A 32 5.925 -3.457 -25.566 1.00 4.22 C ATOM 487 C VAL A 32 5.502 -4.908 -25.369 1.00 73.03 C ATOM 488 O VAL A 32 4.746 -5.228 -24.451 1.00 10.41 O ATOM 489 CB VAL A 32 7.118 -3.152 -24.640 1.00 64.04 C ATOM 490 CG1 VAL A 32 6.778 -3.497 -23.199 1.00 30.33 C ATOM 491 CG2 VAL A 32 8.356 -3.908 -25.100 1.00 73.15 C ATOM 0 H VAL A 32 4.450 -2.575 -24.364 1.00 20.50 H new ATOM 0 HA VAL A 32 6.230 -3.308 -26.602 1.00 4.22 H new ATOM 0 HB VAL A 32 7.332 -2.084 -24.692 1.00 64.04 H new ATOM 0 HG11 VAL A 32 7.633 -3.275 -22.560 1.00 30.33 H new ATOM 0 HG12 VAL A 32 5.921 -2.907 -22.876 1.00 30.33 H new ATOM 0 HG13 VAL A 32 6.537 -4.557 -23.126 1.00 30.33 H new ATOM 0 HG21 VAL A 32 9.189 -3.681 -24.435 1.00 73.15 H new ATOM 0 HG22 VAL A 32 8.157 -4.979 -25.079 1.00 73.15 H new ATOM 0 HG23 VAL A 32 8.610 -3.606 -26.116 1.00 73.15 H new ATOM 501 N THR A 33 5.994 -5.785 -26.238 1.00 71.45 N ATOM 502 CA THR A 33 5.666 -7.203 -26.162 1.00 31.41 C ATOM 503 C THR A 33 6.897 -8.035 -25.821 1.00 43.13 C ATOM 504 O THR A 33 8.020 -7.674 -26.175 1.00 71.12 O ATOM 505 CB THR A 33 5.066 -7.714 -27.486 1.00 1.43 C ATOM 506 OG1 THR A 33 6.093 -7.825 -28.478 1.00 34.42 O ATOM 507 CG2 THR A 33 3.974 -6.777 -27.982 1.00 24.35 C ATOM 0 H THR A 33 6.622 -5.538 -27.003 1.00 71.45 H new ATOM 0 HA THR A 33 4.925 -7.313 -25.370 1.00 31.41 H new ATOM 0 HB THR A 33 4.627 -8.695 -27.306 1.00 1.43 H new ATOM 0 HG1 THR A 33 5.704 -8.152 -29.316 1.00 34.42 H new ATOM 0 HG21 THR A 33 3.565 -7.158 -28.918 1.00 24.35 H new ATOM 0 HG22 THR A 33 3.180 -6.717 -27.237 1.00 24.35 H new ATOM 0 HG23 THR A 33 4.393 -5.784 -28.147 1.00 24.35 H new ATOM 515 N VAL A 34 6.680 -9.151 -25.132 1.00 42.15 N ATOM 516 CA VAL A 34 7.773 -10.034 -24.744 1.00 70.40 C ATOM 517 C VAL A 34 7.422 -11.493 -25.014 1.00 24.43 C ATOM 518 O VAL A 34 6.384 -11.984 -24.573 1.00 14.44 O ATOM 519 CB VAL A 34 8.125 -9.870 -23.254 1.00 4.52 C ATOM 520 CG1 VAL A 34 6.911 -10.154 -22.383 1.00 41.10 C ATOM 521 CG2 VAL A 34 9.286 -10.778 -22.878 1.00 21.15 C ATOM 0 H VAL A 34 5.757 -9.465 -24.831 1.00 42.15 H new ATOM 0 HA VAL A 34 8.637 -9.753 -25.347 1.00 70.40 H new ATOM 0 HB VAL A 34 8.431 -8.838 -23.083 1.00 4.52 H new ATOM 0 HG11 VAL A 34 7.180 -10.033 -21.334 1.00 41.10 H new ATOM 0 HG12 VAL A 34 6.111 -9.458 -22.635 1.00 41.10 H new ATOM 0 HG13 VAL A 34 6.571 -11.175 -22.555 1.00 41.10 H new ATOM 0 HG21 VAL A 34 9.521 -10.649 -21.822 1.00 21.15 H new ATOM 0 HG22 VAL A 34 9.011 -11.816 -23.065 1.00 21.15 H new ATOM 0 HG23 VAL A 34 10.159 -10.520 -23.478 1.00 21.15 H new ATOM 531 N GLU A 35 8.297 -12.182 -25.741 1.00 10.14 N ATOM 532 CA GLU A 35 8.079 -13.586 -26.069 1.00 1.14 C ATOM 533 C GLU A 35 9.309 -14.422 -25.727 1.00 2.30 C ATOM 534 O GLU A 35 10.423 -14.108 -26.146 1.00 42.44 O ATOM 535 CB GLU A 35 7.741 -13.739 -27.553 1.00 70.30 C ATOM 536 CG GLU A 35 6.840 -14.925 -27.853 1.00 31.53 C ATOM 537 CD GLU A 35 6.818 -15.284 -29.326 1.00 24.32 C ATOM 538 OE1 GLU A 35 5.711 -15.446 -29.880 1.00 50.12 O ATOM 539 OE2 GLU A 35 7.908 -15.404 -29.924 1.00 11.21 O ATOM 0 H GLU A 35 9.162 -11.791 -26.113 1.00 10.14 H new ATOM 0 HA GLU A 35 7.240 -13.946 -25.474 1.00 1.14 H new ATOM 0 HB2 GLU A 35 7.256 -12.828 -27.902 1.00 70.30 H new ATOM 0 HB3 GLU A 35 8.667 -13.844 -28.119 1.00 70.30 H new ATOM 0 HG2 GLU A 35 7.177 -15.787 -27.278 1.00 31.53 H new ATOM 0 HG3 GLU A 35 5.826 -14.699 -27.523 1.00 31.53 H new ATOM 546 N VAL A 36 9.099 -15.488 -24.962 1.00 30.13 N ATOM 547 CA VAL A 36 10.189 -16.370 -24.564 1.00 23.53 C ATOM 548 C VAL A 36 9.798 -17.835 -24.724 1.00 75.12 C ATOM 549 O VAL A 36 8.646 -18.150 -25.021 1.00 54.04 O ATOM 550 CB VAL A 36 10.610 -16.120 -23.103 1.00 55.12 C ATOM 551 CG1 VAL A 36 11.119 -14.697 -22.931 1.00 30.24 C ATOM 552 CG2 VAL A 36 9.449 -16.397 -22.160 1.00 74.42 C ATOM 0 H VAL A 36 8.183 -15.762 -24.605 1.00 30.13 H new ATOM 0 HA VAL A 36 11.030 -16.147 -25.220 1.00 23.53 H new ATOM 0 HB VAL A 36 11.422 -16.804 -22.854 1.00 55.12 H new ATOM 0 HG11 VAL A 36 11.412 -14.538 -21.893 1.00 30.24 H new ATOM 0 HG12 VAL A 36 11.981 -14.538 -23.580 1.00 30.24 H new ATOM 0 HG13 VAL A 36 10.330 -13.994 -23.197 1.00 30.24 H new ATOM 0 HG21 VAL A 36 9.764 -16.215 -21.132 1.00 74.42 H new ATOM 0 HG22 VAL A 36 8.616 -15.739 -22.406 1.00 74.42 H new ATOM 0 HG23 VAL A 36 9.135 -17.435 -22.265 1.00 74.42 H new ATOM 562 N GLN A 37 10.764 -18.726 -24.525 1.00 12.41 N ATOM 563 CA GLN A 37 10.519 -20.158 -24.648 1.00 2.23 C ATOM 564 C GLN A 37 10.598 -20.842 -23.287 1.00 62.20 C ATOM 565 O GLN A 37 11.187 -20.309 -22.346 1.00 54.01 O ATOM 566 CB GLN A 37 11.529 -20.789 -25.608 1.00 54.54 C ATOM 567 CG GLN A 37 11.070 -20.791 -27.058 1.00 33.14 C ATOM 568 CD GLN A 37 12.217 -20.966 -28.033 1.00 1.01 C ATOM 569 OE1 GLN A 37 13.149 -21.731 -27.782 1.00 50.22 O ATOM 570 NE2 GLN A 37 12.155 -20.256 -29.153 1.00 64.14 N ATOM 0 H GLN A 37 11.723 -18.482 -24.278 1.00 12.41 H new ATOM 0 HA GLN A 37 9.514 -20.296 -25.047 1.00 2.23 H new ATOM 0 HB2 GLN A 37 12.473 -20.250 -25.535 1.00 54.54 H new ATOM 0 HB3 GLN A 37 11.723 -21.815 -25.295 1.00 54.54 H new ATOM 0 HG2 GLN A 37 10.347 -21.594 -27.205 1.00 33.14 H new ATOM 0 HG3 GLN A 37 10.555 -19.855 -27.273 1.00 33.14 H new ATOM 0 HE21 GLN A 37 11.364 -19.634 -29.320 1.00 64.14 H new ATOM 0 HE22 GLN A 37 12.899 -20.332 -29.847 1.00 64.14 H new ATOM 579 N TYR A 38 10.002 -22.025 -23.190 1.00 32.10 N ATOM 580 CA TYR A 38 10.003 -22.781 -21.943 1.00 74.54 C ATOM 581 C TYR A 38 10.149 -24.276 -22.213 1.00 51.01 C ATOM 582 O TYR A 38 9.448 -24.838 -23.055 1.00 4.34 O ATOM 583 CB TYR A 38 8.715 -22.517 -21.161 1.00 2.30 C ATOM 584 CG TYR A 38 8.622 -23.294 -19.867 1.00 43.23 C ATOM 585 CD1 TYR A 38 7.436 -23.912 -19.489 1.00 45.31 C ATOM 586 CD2 TYR A 38 9.719 -23.409 -19.023 1.00 24.52 C ATOM 587 CE1 TYR A 38 7.346 -24.622 -18.308 1.00 25.23 C ATOM 588 CE2 TYR A 38 9.639 -24.119 -17.840 1.00 70.24 C ATOM 589 CZ TYR A 38 8.450 -24.723 -17.487 1.00 65.51 C ATOM 590 OH TYR A 38 8.366 -25.430 -16.309 1.00 71.14 O ATOM 0 H TYR A 38 9.512 -22.481 -23.960 1.00 32.10 H new ATOM 0 HA TYR A 38 10.855 -22.452 -21.349 1.00 74.54 H new ATOM 0 HB2 TYR A 38 8.645 -21.452 -20.941 1.00 2.30 H new ATOM 0 HB3 TYR A 38 7.860 -22.769 -21.789 1.00 2.30 H new ATOM 0 HD1 TYR A 38 6.570 -23.836 -20.130 1.00 45.31 H new ATOM 0 HD2 TYR A 38 10.651 -22.935 -19.296 1.00 24.52 H new ATOM 0 HE1 TYR A 38 6.416 -25.096 -18.029 1.00 25.23 H new ATOM 0 HE2 TYR A 38 10.502 -24.200 -17.196 1.00 70.24 H new ATOM 0 HH TYR A 38 9.231 -25.404 -15.850 1.00 71.14 H new ATOM 600 N ALA A 39 11.065 -24.914 -21.491 1.00 54.14 N ATOM 601 CA ALA A 39 11.303 -26.343 -21.650 1.00 70.15 C ATOM 602 C ALA A 39 11.337 -27.048 -20.299 1.00 1.35 C ATOM 603 O ALA A 39 12.376 -27.555 -19.878 1.00 1.31 O ATOM 604 CB ALA A 39 12.603 -26.581 -22.405 1.00 11.44 C ATOM 0 H ALA A 39 11.654 -24.464 -20.791 1.00 54.14 H new ATOM 0 HA ALA A 39 10.478 -26.761 -22.227 1.00 70.15 H new ATOM 0 HB1 ALA A 39 12.768 -27.653 -22.516 1.00 11.44 H new ATOM 0 HB2 ALA A 39 12.541 -26.119 -23.390 1.00 11.44 H new ATOM 0 HB3 ALA A 39 13.432 -26.142 -21.850 1.00 11.44 H new ATOM 675 N LYS A 46 2.773 -22.119 -16.304 1.00 2.05 N ATOM 676 CA LYS A 46 2.608 -20.686 -16.520 1.00 23.52 C ATOM 677 C LYS A 46 3.946 -20.027 -16.840 1.00 72.03 C ATOM 678 O LYS A 46 4.991 -20.448 -16.345 1.00 4.10 O ATOM 679 CB LYS A 46 1.988 -20.031 -15.284 1.00 33.32 C ATOM 680 CG LYS A 46 1.445 -18.636 -15.543 1.00 21.55 C ATOM 681 CD LYS A 46 1.173 -17.894 -14.245 1.00 20.42 C ATOM 682 CE LYS A 46 2.419 -17.187 -13.736 1.00 3.44 C ATOM 683 NZ LYS A 46 2.342 -16.910 -12.274 1.00 63.33 N ATOM 0 HA LYS A 46 1.941 -20.546 -17.371 1.00 23.52 H new ATOM 0 HB2 LYS A 46 1.181 -20.663 -14.914 1.00 33.32 H new ATOM 0 HB3 LYS A 46 2.739 -19.979 -14.495 1.00 33.32 H new ATOM 0 HG2 LYS A 46 2.159 -18.072 -16.143 1.00 21.55 H new ATOM 0 HG3 LYS A 46 0.525 -18.705 -16.124 1.00 21.55 H new ATOM 0 HD2 LYS A 46 0.378 -17.165 -14.401 1.00 20.42 H new ATOM 0 HD3 LYS A 46 0.818 -18.596 -13.491 1.00 20.42 H new ATOM 0 HE2 LYS A 46 3.295 -17.801 -13.944 1.00 3.44 H new ATOM 0 HE3 LYS A 46 2.551 -16.250 -14.277 1.00 3.44 H new ATOM 0 HZ1 LYS A 46 3.210 -16.427 -11.966 1.00 63.33 H new ATOM 0 HZ2 LYS A 46 1.520 -16.303 -12.078 1.00 63.33 H new ATOM 0 HZ3 LYS A 46 2.242 -17.806 -11.756 1.00 63.33 H new ATOM 697 N VAL A 47 3.905 -18.990 -17.671 1.00 3.22 N ATOM 698 CA VAL A 47 5.114 -18.271 -18.055 1.00 51.33 C ATOM 699 C VAL A 47 5.139 -16.874 -17.446 1.00 5.42 C ATOM 700 O VAL A 47 4.619 -15.912 -18.012 1.00 73.52 O ATOM 701 CB VAL A 47 5.234 -18.153 -19.586 1.00 71.14 C ATOM 702 CG1 VAL A 47 6.586 -17.573 -19.973 1.00 54.32 C ATOM 703 CG2 VAL A 47 5.019 -19.508 -20.243 1.00 32.51 C ATOM 0 H VAL A 47 3.048 -18.629 -18.091 1.00 3.22 H new ATOM 0 HA VAL A 47 5.958 -18.846 -17.675 1.00 51.33 H new ATOM 0 HB VAL A 47 4.459 -17.474 -19.942 1.00 71.14 H new ATOM 0 HG11 VAL A 47 6.652 -17.497 -21.058 1.00 54.32 H new ATOM 0 HG12 VAL A 47 6.696 -16.582 -19.533 1.00 54.32 H new ATOM 0 HG13 VAL A 47 7.380 -18.224 -19.606 1.00 54.32 H new ATOM 0 HG21 VAL A 47 5.107 -19.406 -21.325 1.00 32.51 H new ATOM 0 HG22 VAL A 47 5.770 -20.211 -19.882 1.00 32.51 H new ATOM 0 HG23 VAL A 47 4.025 -19.880 -19.994 1.00 32.51 H new ATOM 713 N PRO A 48 5.760 -16.756 -16.263 1.00 2.54 N ATOM 714 CA PRO A 48 5.870 -15.479 -15.550 1.00 34.21 C ATOM 715 C PRO A 48 6.808 -14.503 -16.250 1.00 41.43 C ATOM 716 O PRO A 48 7.820 -14.903 -16.824 1.00 24.21 O ATOM 717 CB PRO A 48 6.437 -15.882 -14.187 1.00 2.25 C ATOM 718 CG PRO A 48 7.166 -17.156 -14.441 1.00 1.11 C ATOM 719 CD PRO A 48 6.404 -17.859 -15.530 1.00 13.12 C ATOM 0 HA PRO A 48 4.913 -14.960 -15.492 1.00 34.21 H new ATOM 0 HB2 PRO A 48 7.105 -15.115 -13.794 1.00 2.25 H new ATOM 0 HB3 PRO A 48 5.643 -16.020 -13.453 1.00 2.25 H new ATOM 0 HG2 PRO A 48 8.194 -16.963 -14.746 1.00 1.11 H new ATOM 0 HG3 PRO A 48 7.211 -17.767 -13.539 1.00 1.11 H new ATOM 0 HD2 PRO A 48 7.066 -18.437 -16.175 1.00 13.12 H new ATOM 0 HD3 PRO A 48 5.669 -18.553 -15.122 1.00 13.12 H new ATOM 727 N ALA A 49 6.465 -13.220 -16.199 1.00 41.32 N ATOM 728 CA ALA A 49 7.279 -12.186 -16.827 1.00 54.11 C ATOM 729 C ALA A 49 7.022 -10.824 -16.191 1.00 43.10 C ATOM 730 O ALA A 49 5.882 -10.367 -16.121 1.00 32.03 O ATOM 731 CB ALA A 49 7.002 -12.133 -18.322 1.00 44.34 C ATOM 0 H ALA A 49 5.629 -12.872 -15.729 1.00 41.32 H new ATOM 0 HA ALA A 49 8.328 -12.439 -16.671 1.00 54.11 H new ATOM 0 HB1 ALA A 49 7.616 -11.357 -18.779 1.00 44.34 H new ATOM 0 HB2 ALA A 49 7.242 -13.097 -18.771 1.00 44.34 H new ATOM 0 HB3 ALA A 49 5.949 -11.907 -18.489 1.00 44.34 H new ATOM 737 N GLN A 50 8.090 -10.181 -15.729 1.00 61.40 N ATOM 738 CA GLN A 50 7.979 -8.872 -15.098 1.00 42.50 C ATOM 739 C GLN A 50 9.329 -8.163 -15.074 1.00 5.05 C ATOM 740 O GLN A 50 10.377 -8.798 -15.191 1.00 32.41 O ATOM 741 CB GLN A 50 7.438 -9.012 -13.674 1.00 73.13 C ATOM 742 CG GLN A 50 8.186 -10.036 -12.837 1.00 65.30 C ATOM 743 CD GLN A 50 8.172 -9.704 -11.358 1.00 11.00 C ATOM 744 OE1 GLN A 50 7.641 -10.461 -10.545 1.00 73.00 O ATOM 745 NE2 GLN A 50 8.757 -8.567 -11.001 1.00 1.23 N ATOM 0 H GLN A 50 9.041 -10.546 -15.780 1.00 61.40 H new ATOM 0 HA GLN A 50 7.284 -8.272 -15.685 1.00 42.50 H new ATOM 0 HB2 GLN A 50 7.489 -8.043 -13.178 1.00 73.13 H new ATOM 0 HB3 GLN A 50 6.385 -9.292 -13.720 1.00 73.13 H new ATOM 0 HG2 GLN A 50 7.740 -11.019 -12.989 1.00 65.30 H new ATOM 0 HG3 GLN A 50 9.218 -10.097 -13.182 1.00 65.30 H new ATOM 0 HE21 GLN A 50 9.185 -7.970 -11.708 1.00 1.23 H new ATOM 0 HE22 GLN A 50 8.779 -8.291 -10.019 1.00 1.23 H new ATOM 754 N MET A 51 9.297 -6.843 -14.921 1.00 31.23 N ATOM 755 CA MET A 51 10.519 -6.048 -14.882 1.00 20.41 C ATOM 756 C MET A 51 10.615 -5.262 -13.579 1.00 14.44 C ATOM 757 O MET A 51 9.760 -5.388 -12.703 1.00 15.44 O ATOM 758 CB MET A 51 10.568 -5.091 -16.074 1.00 42.10 C ATOM 759 CG MET A 51 9.446 -4.065 -16.076 1.00 64.13 C ATOM 760 SD MET A 51 7.972 -4.650 -16.933 1.00 33.42 S ATOM 761 CE MET A 51 6.685 -3.855 -15.973 1.00 70.34 C ATOM 0 H MET A 51 8.438 -6.302 -14.822 1.00 31.23 H new ATOM 0 HA MET A 51 11.368 -6.729 -14.937 1.00 20.41 H new ATOM 0 HB2 MET A 51 11.526 -4.570 -16.072 1.00 42.10 H new ATOM 0 HB3 MET A 51 10.522 -5.670 -16.996 1.00 42.10 H new ATOM 0 HG2 MET A 51 9.188 -3.813 -15.048 1.00 64.13 H new ATOM 0 HG3 MET A 51 9.798 -3.149 -16.550 1.00 64.13 H new ATOM 0 HE1 MET A 51 5.761 -3.832 -16.551 1.00 70.34 H new ATOM 0 HE2 MET A 51 6.522 -4.413 -15.051 1.00 70.34 H new ATOM 0 HE3 MET A 51 6.988 -2.836 -15.732 1.00 70.34 H new ATOM 771 N ALA A 52 11.660 -4.450 -13.458 1.00 23.44 N ATOM 772 CA ALA A 52 11.867 -3.644 -12.261 1.00 24.31 C ATOM 773 C ALA A 52 13.036 -2.682 -12.443 1.00 2.12 C ATOM 774 O ALA A 52 13.657 -2.637 -13.505 1.00 53.41 O ATOM 775 CB ALA A 52 12.103 -4.541 -11.055 1.00 35.24 C ATOM 0 H ALA A 52 12.377 -4.333 -14.174 1.00 23.44 H new ATOM 0 HA ALA A 52 10.967 -3.053 -12.090 1.00 24.31 H new ATOM 0 HB1 ALA A 52 12.256 -3.926 -10.168 1.00 35.24 H new ATOM 0 HB2 ALA A 52 11.236 -5.184 -10.905 1.00 35.24 H new ATOM 0 HB3 ALA A 52 12.986 -5.156 -11.226 1.00 35.24 H new ATOM 781 N VAL A 53 13.331 -1.913 -11.400 1.00 3.44 N ATOM 782 CA VAL A 53 14.425 -0.949 -11.445 1.00 71.50 C ATOM 783 C VAL A 53 15.583 -1.390 -10.557 1.00 33.34 C ATOM 784 O VAL A 53 16.749 -1.177 -10.888 1.00 61.11 O ATOM 785 CB VAL A 53 13.958 0.451 -11.004 1.00 63.33 C ATOM 786 CG1 VAL A 53 12.939 1.008 -11.986 1.00 61.24 C ATOM 787 CG2 VAL A 53 13.383 0.402 -9.597 1.00 21.42 C ATOM 0 H VAL A 53 12.828 -1.938 -10.513 1.00 3.44 H new ATOM 0 HA VAL A 53 14.763 -0.902 -12.480 1.00 71.50 H new ATOM 0 HB VAL A 53 14.821 1.117 -10.996 1.00 63.33 H new ATOM 0 HG11 VAL A 53 12.621 1.998 -11.658 1.00 61.24 H new ATOM 0 HG12 VAL A 53 13.390 1.081 -12.976 1.00 61.24 H new ATOM 0 HG13 VAL A 53 12.075 0.345 -12.029 1.00 61.24 H new ATOM 0 HG21 VAL A 53 13.058 1.400 -9.302 1.00 21.42 H new ATOM 0 HG22 VAL A 53 12.531 -0.278 -9.575 1.00 21.42 H new ATOM 0 HG23 VAL A 53 14.147 0.049 -8.904 1.00 21.42 H new ATOM 797 N ASP A 54 15.253 -2.007 -9.427 1.00 11.50 N ATOM 798 CA ASP A 54 16.266 -2.481 -8.491 1.00 15.42 C ATOM 799 C ASP A 54 16.161 -3.990 -8.295 1.00 53.12 C ATOM 800 O ASP A 54 15.264 -4.475 -7.606 1.00 70.43 O ATOM 801 CB ASP A 54 16.120 -1.768 -7.145 1.00 62.22 C ATOM 802 CG ASP A 54 16.846 -0.438 -7.113 1.00 44.21 C ATOM 803 OD1 ASP A 54 17.285 -0.027 -6.018 1.00 64.31 O ATOM 804 OD2 ASP A 54 16.977 0.193 -8.183 1.00 74.50 O ATOM 0 H ASP A 54 14.292 -2.190 -9.137 1.00 11.50 H new ATOM 0 HA ASP A 54 17.247 -2.255 -8.909 1.00 15.42 H new ATOM 0 HB2 ASP A 54 15.063 -1.607 -6.935 1.00 62.22 H new ATOM 0 HB3 ASP A 54 16.508 -2.409 -6.353 1.00 62.22 H new ATOM 809 N MET A 55 17.083 -4.726 -8.907 1.00 75.21 N ATOM 810 CA MET A 55 17.093 -6.181 -8.800 1.00 52.44 C ATOM 811 C MET A 55 17.026 -6.619 -7.341 1.00 70.20 C ATOM 812 O MET A 55 16.475 -7.674 -7.026 1.00 2.42 O ATOM 813 CB MET A 55 18.349 -6.753 -9.460 1.00 41.20 C ATOM 814 CG MET A 55 19.588 -6.669 -8.583 1.00 32.10 C ATOM 815 SD MET A 55 20.209 -4.984 -8.417 1.00 34.42 S ATOM 816 CE MET A 55 21.948 -5.292 -8.122 1.00 64.34 C ATOM 0 H MET A 55 17.832 -4.340 -9.482 1.00 75.21 H new ATOM 0 HA MET A 55 16.213 -6.565 -9.316 1.00 52.44 H new ATOM 0 HB2 MET A 55 18.169 -7.796 -9.722 1.00 41.20 H new ATOM 0 HB3 MET A 55 18.536 -6.218 -10.391 1.00 41.20 H new ATOM 0 HG2 MET A 55 19.356 -7.066 -7.595 1.00 32.10 H new ATOM 0 HG3 MET A 55 20.370 -7.300 -9.004 1.00 32.10 H new ATOM 0 HE1 MET A 55 22.470 -4.343 -7.998 1.00 64.34 H new ATOM 0 HE2 MET A 55 22.063 -5.890 -7.218 1.00 64.34 H new ATOM 0 HE3 MET A 55 22.371 -5.831 -8.970 1.00 64.34 H new ATOM 826 N GLN A 56 17.590 -5.804 -6.456 1.00 42.42 N ATOM 827 CA GLN A 56 17.594 -6.109 -5.030 1.00 63.24 C ATOM 828 C GLN A 56 16.171 -6.217 -4.493 1.00 2.44 C ATOM 829 O GLN A 56 15.882 -7.047 -3.630 1.00 64.13 O ATOM 830 CB GLN A 56 18.364 -5.035 -4.259 1.00 71.44 C ATOM 831 CG GLN A 56 18.548 -5.359 -2.786 1.00 0.15 C ATOM 832 CD GLN A 56 19.067 -4.178 -1.989 1.00 54.11 C ATOM 833 OE1 GLN A 56 18.534 -3.071 -2.080 1.00 30.45 O ATOM 834 NE2 GLN A 56 20.112 -4.407 -1.202 1.00 74.04 N ATOM 0 H GLN A 56 18.050 -4.927 -6.701 1.00 42.42 H new ATOM 0 HA GLN A 56 18.089 -7.070 -4.891 1.00 63.24 H new ATOM 0 HB2 GLN A 56 19.343 -4.902 -4.718 1.00 71.44 H new ATOM 0 HB3 GLN A 56 17.837 -4.085 -4.351 1.00 71.44 H new ATOM 0 HG2 GLN A 56 17.595 -5.684 -2.368 1.00 0.15 H new ATOM 0 HG3 GLN A 56 19.242 -6.194 -2.685 1.00 0.15 H new ATOM 0 HE21 GLN A 56 20.522 -5.340 -1.157 1.00 74.04 H new ATOM 0 HE22 GLN A 56 20.504 -3.650 -0.642 1.00 74.04 H new ATOM 843 N THR A 57 15.284 -5.371 -5.007 1.00 11.51 N ATOM 844 CA THR A 57 13.892 -5.368 -4.576 1.00 74.14 C ATOM 845 C THR A 57 13.032 -6.233 -5.491 1.00 52.21 C ATOM 846 O THR A 57 12.331 -7.135 -5.031 1.00 34.00 O ATOM 847 CB THR A 57 13.315 -3.940 -4.548 1.00 31.13 C ATOM 848 OG1 THR A 57 13.543 -3.294 -5.805 1.00 64.11 O ATOM 849 CG2 THR A 57 13.947 -3.124 -3.430 1.00 54.33 C ATOM 0 H THR A 57 15.505 -4.679 -5.723 1.00 11.51 H new ATOM 0 HA THR A 57 13.873 -5.779 -3.567 1.00 74.14 H new ATOM 0 HB THR A 57 12.243 -4.008 -4.366 1.00 31.13 H new ATOM 0 HG1 THR A 57 13.172 -2.387 -5.779 1.00 64.11 H new ATOM 0 HG21 THR A 57 13.524 -2.119 -3.429 1.00 54.33 H new ATOM 0 HG22 THR A 57 13.746 -3.603 -2.472 1.00 54.33 H new ATOM 0 HG23 THR A 57 15.024 -3.065 -3.587 1.00 54.33 H new ATOM 857 N LEU A 58 13.090 -5.953 -6.788 1.00 62.14 N ATOM 858 CA LEU A 58 12.315 -6.706 -7.769 1.00 45.30 C ATOM 859 C LEU A 58 10.825 -6.639 -7.453 1.00 32.03 C ATOM 860 O LEU A 58 10.169 -7.667 -7.280 1.00 15.31 O ATOM 861 CB LEU A 58 12.777 -8.164 -7.802 1.00 54.12 C ATOM 862 CG LEU A 58 14.031 -8.452 -8.627 1.00 62.54 C ATOM 863 CD1 LEU A 58 14.720 -9.713 -8.128 1.00 42.12 C ATOM 864 CD2 LEU A 58 13.681 -8.583 -10.103 1.00 11.54 C ATOM 0 H LEU A 58 13.665 -5.210 -7.185 1.00 62.14 H new ATOM 0 HA LEU A 58 12.480 -6.257 -8.749 1.00 45.30 H new ATOM 0 HB2 LEU A 58 12.957 -8.490 -6.778 1.00 54.12 H new ATOM 0 HB3 LEU A 58 11.962 -8.774 -8.192 1.00 54.12 H new ATOM 0 HG LEU A 58 14.719 -7.615 -8.510 1.00 62.54 H new ATOM 0 HD11 LEU A 58 15.611 -9.902 -8.727 1.00 42.12 H new ATOM 0 HD12 LEU A 58 15.006 -9.583 -7.084 1.00 42.12 H new ATOM 0 HD13 LEU A 58 14.038 -10.559 -8.215 1.00 42.12 H new ATOM 0 HD21 LEU A 58 14.586 -8.788 -10.675 1.00 11.54 H new ATOM 0 HD22 LEU A 58 12.974 -9.401 -10.238 1.00 11.54 H new ATOM 0 HD23 LEU A 58 13.232 -7.654 -10.454 1.00 11.54 H new ATOM 876 N THR A 59 10.294 -5.422 -7.380 1.00 63.10 N ATOM 877 CA THR A 59 8.881 -5.221 -7.086 1.00 2.24 C ATOM 878 C THR A 59 8.043 -5.260 -8.359 1.00 4.35 C ATOM 879 O THR A 59 8.515 -4.942 -9.451 1.00 32.23 O ATOM 880 CB THR A 59 8.642 -3.879 -6.368 1.00 45.44 C ATOM 881 OG1 THR A 59 9.382 -2.838 -7.017 1.00 61.21 O ATOM 882 CG2 THR A 59 9.055 -3.965 -4.907 1.00 31.43 C ATOM 0 H THR A 59 10.822 -4.561 -7.521 1.00 63.10 H new ATOM 0 HA THR A 59 8.576 -6.036 -6.429 1.00 2.24 H new ATOM 0 HB THR A 59 7.577 -3.652 -6.415 1.00 45.44 H new ATOM 0 HG1 THR A 59 9.224 -1.988 -6.556 1.00 61.21 H new ATOM 0 HG21 THR A 59 8.877 -3.006 -4.421 1.00 31.43 H new ATOM 0 HG22 THR A 59 8.470 -4.738 -4.409 1.00 31.43 H new ATOM 0 HG23 THR A 59 10.114 -4.213 -4.842 1.00 31.43 H new ATOM 890 N PRO A 60 6.770 -5.657 -8.218 1.00 22.51 N ATOM 891 CA PRO A 60 5.839 -5.746 -9.347 1.00 2.12 C ATOM 892 C PRO A 60 5.454 -4.374 -9.889 1.00 15.20 C ATOM 893 O PRO A 60 4.500 -3.754 -9.417 1.00 24.02 O ATOM 894 CB PRO A 60 4.618 -6.446 -8.745 1.00 51.25 C ATOM 895 CG PRO A 60 4.680 -6.132 -7.290 1.00 53.15 C ATOM 896 CD PRO A 60 6.141 -6.051 -6.946 1.00 22.00 C ATOM 0 HA PRO A 60 6.275 -6.274 -10.195 1.00 2.12 H new ATOM 0 HB2 PRO A 60 3.693 -6.080 -9.190 1.00 51.25 H new ATOM 0 HB3 PRO A 60 4.652 -7.521 -8.920 1.00 51.25 H new ATOM 0 HG2 PRO A 60 4.175 -5.191 -7.072 1.00 53.15 H new ATOM 0 HG3 PRO A 60 4.183 -6.904 -6.703 1.00 53.15 H new ATOM 0 HD2 PRO A 60 6.329 -5.318 -6.161 1.00 22.00 H new ATOM 0 HD3 PRO A 60 6.523 -7.007 -6.588 1.00 22.00 H new ATOM 904 N VAL A 61 6.200 -3.904 -10.884 1.00 31.42 N ATOM 905 CA VAL A 61 5.935 -2.606 -11.492 1.00 11.15 C ATOM 906 C VAL A 61 5.105 -2.753 -12.762 1.00 12.22 C ATOM 907 O VAL A 61 4.914 -3.858 -13.267 1.00 64.21 O ATOM 908 CB VAL A 61 7.243 -1.867 -11.829 1.00 2.40 C ATOM 909 CG1 VAL A 61 7.994 -1.502 -10.557 1.00 51.23 C ATOM 910 CG2 VAL A 61 8.112 -2.714 -12.746 1.00 40.24 C ATOM 0 H VAL A 61 6.993 -4.404 -11.286 1.00 31.42 H new ATOM 0 HA VAL A 61 5.375 -2.023 -10.761 1.00 11.15 H new ATOM 0 HB VAL A 61 6.994 -0.944 -12.352 1.00 2.40 H new ATOM 0 HG11 VAL A 61 8.916 -0.981 -10.816 1.00 51.23 H new ATOM 0 HG12 VAL A 61 7.371 -0.854 -9.940 1.00 51.23 H new ATOM 0 HG13 VAL A 61 8.234 -2.410 -10.003 1.00 51.23 H new ATOM 0 HG21 VAL A 61 9.032 -2.176 -12.974 1.00 40.24 H new ATOM 0 HG22 VAL A 61 8.354 -3.655 -12.251 1.00 40.24 H new ATOM 0 HG23 VAL A 61 7.573 -2.919 -13.671 1.00 40.24 H new ATOM 920 N GLY A 62 4.613 -1.629 -13.274 1.00 54.21 N ATOM 921 CA GLY A 62 3.808 -1.654 -14.481 1.00 73.04 C ATOM 922 C GLY A 62 2.490 -2.377 -14.285 1.00 21.23 C ATOM 923 O GLY A 62 2.086 -2.648 -13.154 1.00 30.41 O ATOM 0 H GLY A 62 4.758 -0.702 -12.874 1.00 54.21 H new ATOM 0 HA2 GLY A 62 3.613 -0.632 -14.805 1.00 73.04 H new ATOM 0 HA3 GLY A 62 4.370 -2.140 -15.279 1.00 73.04 H new ATOM 927 N ARG A 63 1.818 -2.689 -15.388 1.00 15.22 N ATOM 928 CA ARG A 63 0.537 -3.383 -15.331 1.00 72.03 C ATOM 929 C ARG A 63 0.383 -4.336 -16.513 1.00 35.32 C ATOM 930 O ARG A 63 0.669 -3.977 -17.656 1.00 21.23 O ATOM 931 CB ARG A 63 -0.614 -2.375 -15.322 1.00 21.11 C ATOM 932 CG ARG A 63 -0.788 -1.637 -16.639 1.00 42.02 C ATOM 933 CD ARG A 63 -1.948 -0.656 -16.579 1.00 74.23 C ATOM 934 NE ARG A 63 -1.735 0.384 -15.577 1.00 4.21 N ATOM 935 CZ ARG A 63 -2.504 1.461 -15.459 1.00 61.34 C ATOM 936 NH1 ARG A 63 -3.532 1.637 -16.277 1.00 55.03 N ATOM 937 NH2 ARG A 63 -2.245 2.363 -14.522 1.00 13.32 N ATOM 0 H ARG A 63 2.139 -2.472 -16.332 1.00 15.22 H new ATOM 0 HA ARG A 63 0.508 -3.965 -14.410 1.00 72.03 H new ATOM 0 HB2 ARG A 63 -1.541 -2.897 -15.082 1.00 21.11 H new ATOM 0 HB3 ARG A 63 -0.443 -1.648 -14.528 1.00 21.11 H new ATOM 0 HG2 ARG A 63 0.130 -1.102 -16.882 1.00 42.02 H new ATOM 0 HG3 ARG A 63 -0.959 -2.356 -17.440 1.00 42.02 H new ATOM 0 HD2 ARG A 63 -2.083 -0.194 -17.557 1.00 74.23 H new ATOM 0 HD3 ARG A 63 -2.867 -1.196 -16.351 1.00 74.23 H new ATOM 0 HE ARG A 63 -0.952 0.278 -14.932 1.00 4.21 H new ATOM 0 HH11 ARG A 63 -3.734 0.945 -16.999 1.00 55.03 H new ATOM 0 HH12 ARG A 63 -4.121 2.464 -16.185 1.00 55.03 H new ATOM 0 HH21 ARG A 63 -1.455 2.230 -13.891 1.00 13.32 H new ATOM 0 HH22 ARG A 63 -2.836 3.189 -14.432 1.00 13.32 H new ATOM 951 N LEU A 64 -0.071 -5.552 -16.230 1.00 32.34 N ATOM 952 CA LEU A 64 -0.263 -6.558 -17.268 1.00 71.45 C ATOM 953 C LEU A 64 -1.471 -6.221 -18.137 1.00 30.03 C ATOM 954 O LEU A 64 -2.384 -5.518 -17.701 1.00 65.15 O ATOM 955 CB LEU A 64 -0.443 -7.941 -16.640 1.00 21.23 C ATOM 956 CG LEU A 64 -0.239 -9.135 -17.573 1.00 43.24 C ATOM 957 CD1 LEU A 64 1.237 -9.314 -17.895 1.00 73.34 C ATOM 958 CD2 LEU A 64 -0.809 -10.402 -16.952 1.00 40.53 C ATOM 0 H LEU A 64 -0.313 -5.865 -15.290 1.00 32.34 H new ATOM 0 HA LEU A 64 0.625 -6.566 -17.900 1.00 71.45 H new ATOM 0 HB2 LEU A 64 0.254 -8.033 -15.807 1.00 21.23 H new ATOM 0 HB3 LEU A 64 -1.448 -8.000 -16.222 1.00 21.23 H new ATOM 0 HG LEU A 64 -0.772 -8.940 -18.503 1.00 43.24 H new ATOM 0 HD11 LEU A 64 1.363 -10.168 -18.560 1.00 73.34 H new ATOM 0 HD12 LEU A 64 1.615 -8.415 -18.383 1.00 73.34 H new ATOM 0 HD13 LEU A 64 1.792 -9.487 -16.973 1.00 73.34 H new ATOM 0 HD21 LEU A 64 -0.655 -11.241 -17.630 1.00 40.53 H new ATOM 0 HD22 LEU A 64 -0.305 -10.602 -16.007 1.00 40.53 H new ATOM 0 HD23 LEU A 64 -1.876 -10.271 -16.774 1.00 40.53 H new ATOM 970 N ILE A 65 -1.470 -6.728 -19.365 1.00 35.22 N ATOM 971 CA ILE A 65 -2.569 -6.485 -20.292 1.00 20.35 C ATOM 972 C ILE A 65 -3.286 -7.784 -20.647 1.00 1.54 C ATOM 973 O ILE A 65 -4.508 -7.811 -20.797 1.00 0.42 O ATOM 974 CB ILE A 65 -2.075 -5.814 -21.587 1.00 20.13 C ATOM 975 CG1 ILE A 65 -1.327 -4.520 -21.263 1.00 5.55 C ATOM 976 CG2 ILE A 65 -3.245 -5.537 -22.519 1.00 2.20 C ATOM 977 CD1 ILE A 65 -2.176 -3.493 -20.546 1.00 74.35 C ATOM 0 H ILE A 65 -0.721 -7.309 -19.741 1.00 35.22 H new ATOM 0 HA ILE A 65 -3.265 -5.815 -19.788 1.00 20.35 H new ATOM 0 HB ILE A 65 -1.387 -6.493 -22.091 1.00 20.13 H new ATOM 0 HG12 ILE A 65 -0.460 -4.756 -20.647 1.00 5.55 H new ATOM 0 HG13 ILE A 65 -0.951 -4.086 -22.189 1.00 5.55 H new ATOM 0 HG21 ILE A 65 -2.880 -5.063 -23.430 1.00 2.20 H new ATOM 0 HG22 ILE A 65 -3.739 -6.475 -22.771 1.00 2.20 H new ATOM 0 HG23 ILE A 65 -3.955 -4.874 -22.024 1.00 2.20 H new ATOM 0 HD11 ILE A 65 -1.580 -2.602 -20.349 1.00 74.35 H new ATOM 0 HD12 ILE A 65 -3.030 -3.228 -21.169 1.00 74.35 H new ATOM 0 HD13 ILE A 65 -2.531 -3.909 -19.603 1.00 74.35 H new ATOM 989 N THR A 66 -2.518 -8.861 -20.778 1.00 42.41 N ATOM 990 CA THR A 66 -3.079 -10.163 -21.113 1.00 61.24 C ATOM 991 C THR A 66 -4.060 -10.631 -20.044 1.00 63.14 C ATOM 992 O THR A 66 -4.118 -10.067 -18.952 1.00 51.45 O ATOM 993 CB THR A 66 -1.975 -11.224 -21.281 1.00 21.32 C ATOM 994 OG1 THR A 66 -0.769 -10.607 -21.744 1.00 63.34 O ATOM 995 CG2 THR A 66 -2.407 -12.305 -22.261 1.00 2.25 C ATOM 0 H THR A 66 -1.505 -8.857 -20.657 1.00 42.41 H new ATOM 0 HA THR A 66 -3.607 -10.046 -22.060 1.00 61.24 H new ATOM 0 HB THR A 66 -1.796 -11.687 -20.311 1.00 21.32 H new ATOM 0 HG1 THR A 66 -0.072 -11.288 -21.847 1.00 63.34 H new ATOM 0 HG21 THR A 66 -1.611 -13.043 -22.363 1.00 2.25 H new ATOM 0 HG22 THR A 66 -3.309 -12.793 -21.890 1.00 2.25 H new ATOM 0 HG23 THR A 66 -2.611 -11.855 -23.232 1.00 2.25 H new ATOM 1003 N ALA A 67 -4.828 -11.667 -20.366 1.00 14.54 N ATOM 1004 CA ALA A 67 -5.805 -12.212 -19.431 1.00 54.53 C ATOM 1005 C ALA A 67 -5.172 -13.262 -18.525 1.00 71.14 C ATOM 1006 O ALA A 67 -5.191 -13.133 -17.302 1.00 41.12 O ATOM 1007 CB ALA A 67 -6.985 -12.806 -20.187 1.00 44.55 C ATOM 0 H ALA A 67 -4.793 -12.145 -21.266 1.00 14.54 H new ATOM 0 HA ALA A 67 -6.163 -11.397 -18.803 1.00 54.53 H new ATOM 0 HB1 ALA A 67 -7.707 -13.209 -19.476 1.00 44.55 H new ATOM 0 HB2 ALA A 67 -7.461 -12.030 -20.787 1.00 44.55 H new ATOM 0 HB3 ALA A 67 -6.634 -13.605 -20.840 1.00 44.55 H new ATOM 1013 N ASN A 68 -4.613 -14.302 -19.135 1.00 24.44 N ATOM 1014 CA ASN A 68 -3.974 -15.376 -18.382 1.00 74.30 C ATOM 1015 C ASN A 68 -3.289 -16.365 -19.320 1.00 75.52 C ATOM 1016 O ASN A 68 -3.757 -17.485 -19.532 1.00 12.45 O ATOM 1017 CB ASN A 68 -5.006 -16.105 -17.519 1.00 73.51 C ATOM 1018 CG ASN A 68 -6.348 -16.242 -18.213 1.00 64.12 C ATOM 1019 OD1 ASN A 68 -7.216 -15.379 -18.085 1.00 50.14 O ATOM 1020 ND2 ASN A 68 -6.523 -17.331 -18.953 1.00 45.11 N ATOM 0 H ASN A 68 -4.589 -14.424 -20.147 1.00 24.44 H new ATOM 0 HA ASN A 68 -3.217 -14.933 -17.735 1.00 74.30 H new ATOM 0 HB2 ASN A 68 -4.629 -17.096 -17.265 1.00 73.51 H new ATOM 0 HB3 ASN A 68 -5.138 -15.565 -16.582 1.00 73.51 H new ATOM 0 HD21 ASN A 68 -7.405 -17.478 -19.444 1.00 45.11 H new ATOM 0 HD22 ASN A 68 -5.775 -18.020 -19.031 1.00 45.11 H new ATOM 1027 N PRO A 69 -2.154 -15.945 -19.897 1.00 2.14 N ATOM 1028 CA PRO A 69 -1.381 -16.777 -20.823 1.00 23.50 C ATOM 1029 C PRO A 69 -0.706 -17.951 -20.122 1.00 25.21 C ATOM 1030 O PRO A 69 -0.028 -17.776 -19.109 1.00 33.12 O ATOM 1031 CB PRO A 69 -0.332 -15.811 -21.378 1.00 3.32 C ATOM 1032 CG PRO A 69 -0.181 -14.769 -20.323 1.00 53.04 C ATOM 1033 CD PRO A 69 -1.536 -14.624 -19.688 1.00 35.30 C ATOM 0 HA PRO A 69 -2.012 -17.228 -21.589 1.00 23.50 H new ATOM 0 HB2 PRO A 69 0.613 -16.320 -21.570 1.00 3.32 H new ATOM 0 HB3 PRO A 69 -0.656 -15.374 -22.322 1.00 3.32 H new ATOM 0 HG2 PRO A 69 0.566 -15.065 -19.586 1.00 53.04 H new ATOM 0 HG3 PRO A 69 0.152 -13.824 -20.752 1.00 53.04 H new ATOM 0 HD2 PRO A 69 -1.459 -14.379 -18.629 1.00 35.30 H new ATOM 0 HD3 PRO A 69 -2.117 -13.830 -20.157 1.00 35.30 H new ATOM 1041 N VAL A 70 -0.894 -19.149 -20.668 1.00 2.42 N ATOM 1042 CA VAL A 70 -0.300 -20.351 -20.096 1.00 73.31 C ATOM 1043 C VAL A 70 0.009 -21.379 -21.179 1.00 32.45 C ATOM 1044 O VAL A 70 -0.695 -21.466 -22.185 1.00 60.32 O ATOM 1045 CB VAL A 70 -1.228 -20.991 -19.046 1.00 54.32 C ATOM 1046 CG1 VAL A 70 -1.543 -19.999 -17.937 1.00 11.22 C ATOM 1047 CG2 VAL A 70 -2.506 -21.494 -19.701 1.00 41.10 C ATOM 0 H VAL A 70 -1.453 -19.312 -21.505 1.00 2.42 H new ATOM 0 HA VAL A 70 0.628 -20.046 -19.612 1.00 73.31 H new ATOM 0 HB VAL A 70 -0.714 -21.844 -18.603 1.00 54.32 H new ATOM 0 HG11 VAL A 70 -2.200 -20.469 -17.205 1.00 11.22 H new ATOM 0 HG12 VAL A 70 -0.617 -19.691 -17.450 1.00 11.22 H new ATOM 0 HG13 VAL A 70 -2.038 -19.125 -18.360 1.00 11.22 H new ATOM 0 HG21 VAL A 70 -3.150 -21.943 -18.945 1.00 41.10 H new ATOM 0 HG22 VAL A 70 -3.026 -20.660 -20.172 1.00 41.10 H new ATOM 0 HG23 VAL A 70 -2.259 -22.240 -20.456 1.00 41.10 H new ATOM 1057 N ILE A 71 1.065 -22.157 -20.964 1.00 40.43 N ATOM 1058 CA ILE A 71 1.466 -23.180 -21.921 1.00 65.13 C ATOM 1059 C ILE A 71 0.404 -24.267 -22.041 1.00 61.43 C ATOM 1060 O ILE A 71 0.052 -24.919 -21.057 1.00 55.33 O ATOM 1061 CB ILE A 71 2.806 -23.828 -21.524 1.00 32.33 C ATOM 1062 CG1 ILE A 71 3.877 -22.755 -21.324 1.00 4.34 C ATOM 1063 CG2 ILE A 71 3.243 -24.831 -22.581 1.00 45.20 C ATOM 1064 CD1 ILE A 71 4.104 -21.892 -22.545 1.00 54.32 C ATOM 0 H ILE A 71 1.658 -22.098 -20.136 1.00 40.43 H new ATOM 0 HA ILE A 71 1.584 -22.683 -22.884 1.00 65.13 H new ATOM 0 HB ILE A 71 2.671 -24.359 -20.582 1.00 32.33 H new ATOM 0 HG12 ILE A 71 3.590 -22.118 -20.487 1.00 4.34 H new ATOM 0 HG13 ILE A 71 4.816 -23.237 -21.050 1.00 4.34 H new ATOM 0 HG21 ILE A 71 4.191 -25.280 -22.286 1.00 45.20 H new ATOM 0 HG22 ILE A 71 2.487 -25.610 -22.678 1.00 45.20 H new ATOM 0 HG23 ILE A 71 3.364 -24.322 -23.537 1.00 45.20 H new ATOM 0 HD11 ILE A 71 4.876 -21.154 -22.330 1.00 54.32 H new ATOM 0 HD12 ILE A 71 4.422 -22.518 -23.379 1.00 54.32 H new ATOM 0 HD13 ILE A 71 3.177 -21.382 -22.807 1.00 54.32 H new ATOM 1076 N THR A 72 -0.103 -24.461 -23.255 1.00 43.32 N ATOM 1077 CA THR A 72 -1.125 -25.468 -23.505 1.00 34.52 C ATOM 1078 C THR A 72 -0.681 -26.447 -24.585 1.00 65.43 C ATOM 1079 O THR A 72 -0.988 -27.637 -24.522 1.00 33.01 O ATOM 1080 CB THR A 72 -2.458 -24.823 -23.930 1.00 30.33 C ATOM 1081 OG1 THR A 72 -2.224 -23.837 -24.941 1.00 12.42 O ATOM 1082 CG2 THR A 72 -3.153 -24.181 -22.738 1.00 64.23 C ATOM 0 H THR A 72 0.179 -23.933 -24.081 1.00 43.32 H new ATOM 0 HA THR A 72 -1.272 -26.007 -22.569 1.00 34.52 H new ATOM 0 HB THR A 72 -3.104 -25.605 -24.329 1.00 30.33 H new ATOM 0 HG1 THR A 72 -3.076 -23.433 -25.207 1.00 12.42 H new ATOM 0 HG21 THR A 72 -4.092 -23.732 -23.063 1.00 64.23 H new ATOM 0 HG22 THR A 72 -3.356 -24.940 -21.983 1.00 64.23 H new ATOM 0 HG23 THR A 72 -2.510 -23.410 -22.314 1.00 64.23 H new ATOM 1090 N GLU A 73 0.046 -25.939 -25.576 1.00 13.42 N ATOM 1091 CA GLU A 73 0.532 -26.770 -26.671 1.00 1.14 C ATOM 1092 C GLU A 73 1.280 -27.989 -26.138 1.00 13.25 C ATOM 1093 O GLU A 73 1.802 -27.972 -25.023 1.00 12.51 O ATOM 1094 CB GLU A 73 1.448 -25.958 -27.589 1.00 53.11 C ATOM 1095 CG GLU A 73 0.706 -25.226 -28.695 1.00 62.33 C ATOM 1096 CD GLU A 73 -0.113 -24.060 -28.177 1.00 22.35 C ATOM 1097 OE1 GLU A 73 -1.351 -24.088 -28.337 1.00 50.13 O ATOM 1098 OE2 GLU A 73 0.484 -23.121 -27.610 1.00 52.24 O ATOM 0 H GLU A 73 0.311 -24.956 -25.643 1.00 13.42 H new ATOM 0 HA GLU A 73 -0.330 -27.115 -27.242 1.00 1.14 H new ATOM 0 HB2 GLU A 73 1.998 -25.232 -26.990 1.00 53.11 H new ATOM 0 HB3 GLU A 73 2.184 -26.626 -28.037 1.00 53.11 H new ATOM 0 HG2 GLU A 73 1.424 -24.862 -29.430 1.00 62.33 H new ATOM 0 HG3 GLU A 73 0.049 -25.926 -29.211 1.00 62.33 H new ATOM 1105 N SER A 74 1.326 -29.046 -26.942 1.00 51.20 N ATOM 1106 CA SER A 74 2.005 -30.275 -26.551 1.00 21.35 C ATOM 1107 C SER A 74 3.431 -30.304 -27.092 1.00 60.54 C ATOM 1108 O SER A 74 4.348 -30.798 -26.435 1.00 63.03 O ATOM 1109 CB SER A 74 1.230 -31.494 -27.056 1.00 25.02 C ATOM 1110 OG SER A 74 -0.125 -31.443 -26.645 1.00 22.10 O ATOM 0 H SER A 74 0.901 -29.076 -27.869 1.00 51.20 H new ATOM 0 HA SER A 74 2.048 -30.307 -25.462 1.00 21.35 H new ATOM 0 HB2 SER A 74 1.282 -31.537 -28.144 1.00 25.02 H new ATOM 0 HB3 SER A 74 1.694 -32.405 -26.679 1.00 25.02 H new ATOM 0 HG SER A 74 -0.599 -32.232 -26.982 1.00 22.10 H new ATOM 1116 N THR A 75 3.611 -29.772 -28.297 1.00 54.41 N ATOM 1117 CA THR A 75 4.923 -29.735 -28.929 1.00 25.51 C ATOM 1118 C THR A 75 5.957 -29.092 -28.012 1.00 3.10 C ATOM 1119 O THR A 75 5.617 -28.557 -26.957 1.00 71.33 O ATOM 1120 CB THR A 75 4.885 -28.964 -30.261 1.00 53.24 C ATOM 1121 OG1 THR A 75 4.558 -27.590 -30.023 1.00 34.32 O ATOM 1122 CG2 THR A 75 3.866 -29.575 -31.211 1.00 70.34 C ATOM 0 H THR A 75 2.863 -29.360 -28.855 1.00 54.41 H new ATOM 0 HA THR A 75 5.208 -30.769 -29.125 1.00 25.51 H new ATOM 0 HB THR A 75 5.871 -29.028 -30.720 1.00 53.24 H new ATOM 0 HG1 THR A 75 4.538 -27.106 -30.875 1.00 34.32 H new ATOM 0 HG21 THR A 75 3.857 -29.013 -32.145 1.00 70.34 H new ATOM 0 HG22 THR A 75 4.133 -30.612 -31.414 1.00 70.34 H new ATOM 0 HG23 THR A 75 2.876 -29.538 -30.756 1.00 70.34 H new ATOM 1130 N GLU A 76 7.221 -29.147 -28.422 1.00 12.23 N ATOM 1131 CA GLU A 76 8.304 -28.567 -27.636 1.00 52.32 C ATOM 1132 C GLU A 76 8.529 -27.106 -28.016 1.00 64.01 C ATOM 1133 O GLU A 76 7.927 -26.600 -28.962 1.00 10.44 O ATOM 1134 CB GLU A 76 9.594 -29.363 -27.839 1.00 63.15 C ATOM 1135 CG GLU A 76 10.109 -29.334 -29.269 1.00 33.21 C ATOM 1136 CD GLU A 76 9.576 -30.482 -30.104 1.00 74.11 C ATOM 1137 OE1 GLU A 76 9.659 -31.640 -29.643 1.00 4.45 O ATOM 1138 OE2 GLU A 76 9.075 -30.223 -31.218 1.00 63.55 O ATOM 0 H GLU A 76 7.520 -29.587 -29.293 1.00 12.23 H new ATOM 0 HA GLU A 76 8.020 -28.612 -26.584 1.00 52.32 H new ATOM 0 HB2 GLU A 76 10.364 -28.967 -27.177 1.00 63.15 H new ATOM 0 HB3 GLU A 76 9.422 -30.398 -27.545 1.00 63.15 H new ATOM 0 HG2 GLU A 76 9.826 -28.390 -29.734 1.00 33.21 H new ATOM 0 HG3 GLU A 76 11.198 -29.371 -29.260 1.00 33.21 H new ATOM 1145 N ASN A 77 9.402 -26.435 -27.271 1.00 14.11 N ATOM 1146 CA ASN A 77 9.706 -25.032 -27.527 1.00 54.32 C ATOM 1147 C ASN A 77 8.428 -24.201 -27.589 1.00 54.24 C ATOM 1148 O ASN A 77 8.235 -23.408 -28.511 1.00 74.11 O ATOM 1149 CB ASN A 77 10.485 -24.888 -28.836 1.00 72.11 C ATOM 1150 CG ASN A 77 11.867 -25.507 -28.757 1.00 2.42 C ATOM 1151 OD1 ASN A 77 12.773 -24.952 -28.134 1.00 13.10 O ATOM 1152 ND2 ASN A 77 12.036 -26.662 -29.390 1.00 15.31 N ATOM 0 H ASN A 77 9.911 -26.840 -26.486 1.00 14.11 H new ATOM 0 HA ASN A 77 10.319 -24.663 -26.705 1.00 54.32 H new ATOM 0 HB2 ASN A 77 9.924 -25.359 -29.643 1.00 72.11 H new ATOM 0 HB3 ASN A 77 10.577 -23.831 -29.087 1.00 72.11 H new ATOM 0 HD21 ASN A 77 12.945 -27.125 -29.372 1.00 15.31 H new ATOM 0 HD22 ASN A 77 11.257 -27.086 -29.894 1.00 15.31 H new ATOM 1159 N SER A 78 7.558 -24.388 -26.602 1.00 10.23 N ATOM 1160 CA SER A 78 6.297 -23.658 -26.545 1.00 73.23 C ATOM 1161 C SER A 78 6.518 -22.227 -26.065 1.00 50.05 C ATOM 1162 O SER A 78 7.179 -21.994 -25.053 1.00 53.21 O ATOM 1163 CB SER A 78 5.311 -24.372 -25.618 1.00 61.33 C ATOM 1164 OG SER A 78 5.232 -25.754 -25.925 1.00 10.43 O ATOM 0 H SER A 78 7.703 -25.039 -25.830 1.00 10.23 H new ATOM 0 HA SER A 78 5.880 -23.625 -27.551 1.00 73.23 H new ATOM 0 HB2 SER A 78 5.623 -24.244 -24.582 1.00 61.33 H new ATOM 0 HB3 SER A 78 4.324 -23.918 -25.712 1.00 61.33 H new ATOM 0 HG SER A 78 4.597 -26.188 -25.318 1.00 10.43 H new ATOM 1170 N LYS A 79 5.960 -21.271 -26.800 1.00 43.42 N ATOM 1171 CA LYS A 79 6.094 -19.861 -26.451 1.00 74.22 C ATOM 1172 C LYS A 79 4.743 -19.156 -26.512 1.00 14.43 C ATOM 1173 O LYS A 79 3.752 -19.729 -26.965 1.00 5.20 O ATOM 1174 CB LYS A 79 7.083 -19.173 -27.394 1.00 2.41 C ATOM 1175 CG LYS A 79 6.645 -19.182 -28.848 1.00 64.52 C ATOM 1176 CD LYS A 79 7.185 -20.397 -29.585 1.00 30.13 C ATOM 1177 CE LYS A 79 8.557 -20.123 -30.182 1.00 12.12 C ATOM 1178 NZ LYS A 79 9.011 -21.235 -31.061 1.00 63.33 N ATOM 0 H LYS A 79 5.411 -21.447 -27.641 1.00 43.42 H new ATOM 0 HA LYS A 79 6.472 -19.799 -25.430 1.00 74.22 H new ATOM 0 HB2 LYS A 79 7.221 -18.141 -27.072 1.00 2.41 H new ATOM 0 HB3 LYS A 79 8.052 -19.665 -27.312 1.00 2.41 H new ATOM 0 HG2 LYS A 79 5.556 -19.177 -28.901 1.00 64.52 H new ATOM 0 HG3 LYS A 79 6.992 -18.273 -29.339 1.00 64.52 H new ATOM 0 HD2 LYS A 79 7.248 -21.242 -28.899 1.00 30.13 H new ATOM 0 HD3 LYS A 79 6.492 -20.681 -30.377 1.00 30.13 H new ATOM 0 HE2 LYS A 79 8.525 -19.197 -30.755 1.00 12.12 H new ATOM 0 HE3 LYS A 79 9.280 -19.976 -29.379 1.00 12.12 H new ATOM 0 HZ1 LYS A 79 9.950 -21.010 -31.448 1.00 63.33 H new ATOM 0 HZ2 LYS A 79 9.066 -22.114 -30.508 1.00 63.33 H new ATOM 0 HZ3 LYS A 79 8.335 -21.359 -31.842 1.00 63.33 H new ATOM 1192 N MET A 80 4.710 -17.909 -26.053 1.00 44.43 N ATOM 1193 CA MET A 80 3.481 -17.125 -26.058 1.00 13.32 C ATOM 1194 C MET A 80 3.787 -15.632 -25.997 1.00 44.32 C ATOM 1195 O MET A 80 4.671 -15.200 -25.257 1.00 51.12 O ATOM 1196 CB MET A 80 2.592 -17.523 -24.878 1.00 24.04 C ATOM 1197 CG MET A 80 1.711 -18.729 -25.160 1.00 41.11 C ATOM 1198 SD MET A 80 0.384 -18.917 -23.955 1.00 15.34 S ATOM 1199 CE MET A 80 -0.750 -19.967 -24.860 1.00 51.02 C ATOM 0 H MET A 80 5.521 -17.420 -25.673 1.00 44.43 H new ATOM 0 HA MET A 80 2.952 -17.332 -26.989 1.00 13.32 H new ATOM 0 HB2 MET A 80 3.222 -17.738 -24.015 1.00 24.04 H new ATOM 0 HB3 MET A 80 1.960 -16.677 -24.608 1.00 24.04 H new ATOM 0 HG2 MET A 80 1.280 -18.634 -26.157 1.00 41.11 H new ATOM 0 HG3 MET A 80 2.325 -19.630 -25.162 1.00 41.11 H new ATOM 0 HE1 MET A 80 -1.625 -20.173 -24.244 1.00 51.02 H new ATOM 0 HE2 MET A 80 -1.061 -19.463 -25.775 1.00 51.02 H new ATOM 0 HE3 MET A 80 -0.255 -20.905 -25.112 1.00 51.02 H new ATOM 1209 N MET A 81 3.052 -14.849 -26.780 1.00 44.22 N ATOM 1210 CA MET A 81 3.246 -13.404 -26.814 1.00 1.24 C ATOM 1211 C MET A 81 2.420 -12.719 -25.729 1.00 62.41 C ATOM 1212 O MET A 81 1.227 -12.987 -25.581 1.00 71.15 O ATOM 1213 CB MET A 81 2.866 -12.848 -28.187 1.00 72.45 C ATOM 1214 CG MET A 81 3.304 -11.409 -28.404 1.00 20.04 C ATOM 1215 SD MET A 81 2.368 -10.586 -29.706 1.00 72.15 S ATOM 1216 CE MET A 81 3.445 -10.847 -31.114 1.00 12.13 C ATOM 0 H MET A 81 2.317 -15.191 -27.399 1.00 44.22 H new ATOM 0 HA MET A 81 4.300 -13.200 -26.627 1.00 1.24 H new ATOM 0 HB2 MET A 81 3.312 -13.475 -28.959 1.00 72.45 H new ATOM 0 HB3 MET A 81 1.785 -12.912 -28.309 1.00 72.45 H new ATOM 0 HG2 MET A 81 3.189 -10.854 -27.473 1.00 20.04 H new ATOM 0 HG3 MET A 81 4.364 -11.390 -28.657 1.00 20.04 H new ATOM 0 HE1 MET A 81 3.001 -10.393 -32.000 1.00 12.13 H new ATOM 0 HE2 MET A 81 4.415 -10.390 -30.919 1.00 12.13 H new ATOM 0 HE3 MET A 81 3.574 -11.917 -31.280 1.00 12.13 H new ATOM 1226 N LEU A 82 3.062 -11.836 -24.972 1.00 54.25 N ATOM 1227 CA LEU A 82 2.386 -11.114 -23.900 1.00 2.41 C ATOM 1228 C LEU A 82 2.596 -9.609 -24.040 1.00 74.33 C ATOM 1229 O LEU A 82 3.681 -9.156 -24.400 1.00 42.50 O ATOM 1230 CB LEU A 82 2.899 -11.587 -22.538 1.00 52.54 C ATOM 1231 CG LEU A 82 2.355 -12.928 -22.046 1.00 22.14 C ATOM 1232 CD1 LEU A 82 2.970 -14.075 -22.833 1.00 55.23 C ATOM 1233 CD2 LEU A 82 2.622 -13.098 -20.557 1.00 45.52 C ATOM 0 H LEU A 82 4.049 -11.603 -25.081 1.00 54.25 H new ATOM 0 HA LEU A 82 1.318 -11.322 -23.972 1.00 2.41 H new ATOM 0 HB2 LEU A 82 3.986 -11.653 -22.584 1.00 52.54 H new ATOM 0 HB3 LEU A 82 2.658 -10.825 -21.797 1.00 52.54 H new ATOM 0 HG LEU A 82 1.277 -12.941 -22.206 1.00 22.14 H new ATOM 0 HD11 LEU A 82 2.571 -15.022 -22.469 1.00 55.23 H new ATOM 0 HD12 LEU A 82 2.728 -13.962 -23.890 1.00 55.23 H new ATOM 0 HD13 LEU A 82 4.052 -14.065 -22.705 1.00 55.23 H new ATOM 0 HD21 LEU A 82 2.228 -14.058 -20.224 1.00 45.52 H new ATOM 0 HD22 LEU A 82 3.696 -13.063 -20.374 1.00 45.52 H new ATOM 0 HD23 LEU A 82 2.134 -12.294 -20.006 1.00 45.52 H new ATOM 1245 N GLU A 83 1.549 -8.842 -23.752 1.00 1.23 N ATOM 1246 CA GLU A 83 1.619 -7.388 -23.847 1.00 24.44 C ATOM 1247 C GLU A 83 1.928 -6.769 -22.487 1.00 3.33 C ATOM 1248 O GLU A 83 1.401 -7.200 -21.461 1.00 32.33 O ATOM 1249 CB GLU A 83 0.303 -6.826 -24.388 1.00 64.34 C ATOM 1250 CG GLU A 83 0.018 -7.224 -25.827 1.00 1.11 C ATOM 1251 CD GLU A 83 -1.452 -7.111 -26.183 1.00 24.43 C ATOM 1252 OE1 GLU A 83 -2.266 -6.864 -25.268 1.00 65.51 O ATOM 1253 OE2 GLU A 83 -1.788 -7.270 -27.375 1.00 20.54 O ATOM 0 H GLU A 83 0.643 -9.202 -23.451 1.00 1.23 H new ATOM 0 HA GLU A 83 2.425 -7.133 -24.535 1.00 24.44 H new ATOM 0 HB2 GLU A 83 -0.516 -7.169 -23.756 1.00 64.34 H new ATOM 0 HB3 GLU A 83 0.326 -5.738 -24.318 1.00 64.34 H new ATOM 0 HG2 GLU A 83 0.600 -6.591 -26.497 1.00 1.11 H new ATOM 0 HG3 GLU A 83 0.349 -8.250 -25.989 1.00 1.11 H new ATOM 1260 N LEU A 84 2.787 -5.755 -22.487 1.00 14.14 N ATOM 1261 CA LEU A 84 3.167 -5.075 -21.253 1.00 43.25 C ATOM 1262 C LEU A 84 3.053 -3.562 -21.409 1.00 2.45 C ATOM 1263 O LEU A 84 3.328 -3.015 -22.477 1.00 0.44 O ATOM 1264 CB LEU A 84 4.597 -5.452 -20.860 1.00 35.20 C ATOM 1265 CG LEU A 84 4.757 -6.763 -20.089 1.00 75.01 C ATOM 1266 CD1 LEU A 84 4.416 -7.950 -20.977 1.00 44.44 C ATOM 1267 CD2 LEU A 84 6.171 -6.891 -19.543 1.00 61.41 C ATOM 0 H LEU A 84 3.233 -5.386 -23.327 1.00 14.14 H new ATOM 0 HA LEU A 84 2.484 -5.394 -20.466 1.00 43.25 H new ATOM 0 HB2 LEU A 84 5.198 -5.511 -21.767 1.00 35.20 H new ATOM 0 HB3 LEU A 84 5.011 -4.645 -20.255 1.00 35.20 H new ATOM 0 HG LEU A 84 4.064 -6.755 -19.248 1.00 75.01 H new ATOM 0 HD11 LEU A 84 4.536 -8.874 -20.411 1.00 44.44 H new ATOM 0 HD12 LEU A 84 3.384 -7.865 -21.318 1.00 44.44 H new ATOM 0 HD13 LEU A 84 5.083 -7.963 -21.839 1.00 44.44 H new ATOM 0 HD21 LEU A 84 6.267 -7.830 -18.997 1.00 61.41 H new ATOM 0 HD22 LEU A 84 6.882 -6.877 -20.369 1.00 61.41 H new ATOM 0 HD23 LEU A 84 6.378 -6.058 -18.871 1.00 61.41 H new ATOM 1279 N ASP A 85 2.648 -2.891 -20.336 1.00 22.24 N ATOM 1280 CA ASP A 85 2.501 -1.440 -20.351 1.00 24.41 C ATOM 1281 C ASP A 85 3.153 -0.815 -19.122 1.00 24.24 C ATOM 1282 O ASP A 85 2.484 -0.281 -18.237 1.00 74.23 O ATOM 1283 CB ASP A 85 1.022 -1.057 -20.410 1.00 0.43 C ATOM 1284 CG ASP A 85 0.818 0.428 -20.638 1.00 13.11 C ATOM 1285 OD1 ASP A 85 0.725 0.841 -21.813 1.00 72.11 O ATOM 1286 OD2 ASP A 85 0.750 1.177 -19.641 1.00 53.34 O ATOM 0 H ASP A 85 2.416 -3.329 -19.445 1.00 22.24 H new ATOM 0 HA ASP A 85 3.003 -1.058 -21.240 1.00 24.41 H new ATOM 0 HB2 ASP A 85 0.537 -1.615 -21.211 1.00 0.43 H new ATOM 0 HB3 ASP A 85 0.536 -1.349 -19.479 1.00 0.43 H new ATOM 1291 N PRO A 86 4.492 -0.883 -19.062 1.00 73.11 N ATOM 1292 CA PRO A 86 5.263 -0.331 -17.945 1.00 4.30 C ATOM 1293 C PRO A 86 5.242 1.194 -17.923 1.00 70.14 C ATOM 1294 O PRO A 86 4.826 1.846 -18.881 1.00 11.51 O ATOM 1295 CB PRO A 86 6.682 -0.842 -18.207 1.00 3.11 C ATOM 1296 CG PRO A 86 6.737 -1.071 -19.678 1.00 11.20 C ATOM 1297 CD PRO A 86 5.354 -1.504 -20.081 1.00 45.12 C ATOM 0 HA PRO A 86 4.857 -0.635 -16.980 1.00 4.30 H new ATOM 0 HB2 PRO A 86 7.429 -0.114 -17.892 1.00 3.11 H new ATOM 0 HB3 PRO A 86 6.880 -1.761 -17.656 1.00 3.11 H new ATOM 0 HG2 PRO A 86 7.030 -0.162 -20.204 1.00 11.20 H new ATOM 0 HG3 PRO A 86 7.473 -1.835 -19.927 1.00 11.20 H new ATOM 0 HD2 PRO A 86 5.102 -1.161 -21.084 1.00 45.12 H new ATOM 0 HD3 PRO A 86 5.257 -2.590 -20.082 1.00 45.12 H new ATOM 1305 N PRO A 87 5.701 1.777 -16.806 1.00 41.22 N ATOM 1306 CA PRO A 87 5.745 3.232 -16.634 1.00 13.35 C ATOM 1307 C PRO A 87 6.792 3.891 -17.525 1.00 21.31 C ATOM 1308 O PRO A 87 7.535 3.211 -18.233 1.00 61.22 O ATOM 1309 CB PRO A 87 6.114 3.403 -15.158 1.00 4.40 C ATOM 1310 CG PRO A 87 6.840 2.152 -14.802 1.00 33.14 C ATOM 1311 CD PRO A 87 6.213 1.061 -15.626 1.00 4.22 C ATOM 0 HA PRO A 87 4.802 3.703 -16.910 1.00 13.35 H new ATOM 0 HB2 PRO A 87 6.741 4.282 -15.006 1.00 4.40 H new ATOM 0 HB3 PRO A 87 5.226 3.535 -14.540 1.00 4.40 H new ATOM 0 HG2 PRO A 87 7.904 2.243 -15.020 1.00 33.14 H new ATOM 0 HG3 PRO A 87 6.750 1.938 -13.737 1.00 33.14 H new ATOM 0 HD2 PRO A 87 6.941 0.298 -15.903 1.00 4.22 H new ATOM 0 HD3 PRO A 87 5.413 0.557 -15.084 1.00 4.22 H new ATOM 1319 N PHE A 88 6.847 5.218 -17.485 1.00 34.10 N ATOM 1320 CA PHE A 88 7.803 5.968 -18.291 1.00 12.45 C ATOM 1321 C PHE A 88 9.203 5.886 -17.690 1.00 21.31 C ATOM 1322 O PHE A 88 9.391 6.102 -16.494 1.00 1.44 O ATOM 1323 CB PHE A 88 7.369 7.431 -18.403 1.00 45.52 C ATOM 1324 CG PHE A 88 7.446 8.181 -17.104 1.00 0.11 C ATOM 1325 CD1 PHE A 88 6.374 8.185 -16.227 1.00 35.12 C ATOM 1326 CD2 PHE A 88 8.590 8.882 -16.760 1.00 5.50 C ATOM 1327 CE1 PHE A 88 6.441 8.873 -15.030 1.00 52.41 C ATOM 1328 CE2 PHE A 88 8.664 9.572 -15.565 1.00 13.43 C ATOM 1329 CZ PHE A 88 7.587 9.569 -14.699 1.00 62.12 C ATOM 0 H PHE A 88 6.241 5.796 -16.903 1.00 34.10 H new ATOM 0 HA PHE A 88 7.828 5.526 -19.287 1.00 12.45 H new ATOM 0 HB2 PHE A 88 7.996 7.932 -19.140 1.00 45.52 H new ATOM 0 HB3 PHE A 88 6.345 7.470 -18.776 1.00 45.52 H new ATOM 0 HD1 PHE A 88 5.475 7.644 -16.482 1.00 35.12 H new ATOM 0 HD2 PHE A 88 9.434 8.889 -17.434 1.00 5.50 H new ATOM 0 HE1 PHE A 88 5.598 8.866 -14.355 1.00 52.41 H new ATOM 0 HE2 PHE A 88 9.563 10.113 -15.308 1.00 13.43 H new ATOM 0 HZ PHE A 88 7.641 10.110 -13.766 1.00 62.12 H new ATOM 1339 N GLY A 89 10.184 5.570 -18.531 1.00 34.24 N ATOM 1340 CA GLY A 89 11.554 5.465 -18.066 1.00 23.33 C ATOM 1341 C GLY A 89 12.236 4.201 -18.551 1.00 33.52 C ATOM 1342 O GLY A 89 11.996 3.748 -19.670 1.00 54.34 O ATOM 0 H GLY A 89 10.054 5.385 -19.526 1.00 34.24 H new ATOM 0 HA2 GLY A 89 12.118 6.333 -18.408 1.00 23.33 H new ATOM 0 HA3 GLY A 89 11.567 5.486 -16.976 1.00 23.33 H new ATOM 1346 N ASP A 90 13.089 3.630 -17.708 1.00 31.43 N ATOM 1347 CA ASP A 90 13.808 2.410 -18.057 1.00 32.34 C ATOM 1348 C ASP A 90 13.628 1.346 -16.978 1.00 61.22 C ATOM 1349 O ASP A 90 13.226 1.648 -15.855 1.00 3.24 O ATOM 1350 CB ASP A 90 15.295 2.707 -18.254 1.00 10.40 C ATOM 1351 CG ASP A 90 15.854 3.609 -17.171 1.00 33.34 C ATOM 1352 OD1 ASP A 90 15.394 3.503 -16.014 1.00 73.52 O ATOM 1353 OD2 ASP A 90 16.752 4.420 -17.479 1.00 33.32 O ATOM 0 H ASP A 90 13.300 3.992 -16.778 1.00 31.43 H new ATOM 0 HA ASP A 90 13.395 2.029 -18.991 1.00 32.34 H new ATOM 0 HB2 ASP A 90 15.851 1.770 -18.265 1.00 10.40 H new ATOM 0 HB3 ASP A 90 15.443 3.177 -19.226 1.00 10.40 H new ATOM 1358 N SER A 91 13.927 0.099 -17.328 1.00 64.04 N ATOM 1359 CA SER A 91 13.795 -1.011 -16.392 1.00 15.11 C ATOM 1360 C SER A 91 14.523 -2.248 -16.909 1.00 0.25 C ATOM 1361 O SER A 91 15.147 -2.217 -17.969 1.00 44.53 O ATOM 1362 CB SER A 91 12.318 -1.335 -16.159 1.00 33.13 C ATOM 1363 OG SER A 91 11.721 -0.395 -15.282 1.00 43.34 O ATOM 0 H SER A 91 14.262 -0.168 -18.254 1.00 64.04 H new ATOM 0 HA SER A 91 14.249 -0.713 -15.447 1.00 15.11 H new ATOM 0 HB2 SER A 91 11.788 -1.336 -17.112 1.00 33.13 H new ATOM 0 HB3 SER A 91 12.224 -2.337 -15.741 1.00 33.13 H new ATOM 0 HG SER A 91 12.357 0.327 -15.095 1.00 43.34 H new ATOM 1369 N TYR A 92 14.438 -3.336 -16.151 1.00 45.30 N ATOM 1370 CA TYR A 92 15.092 -4.583 -16.529 1.00 74.24 C ATOM 1371 C TYR A 92 14.072 -5.708 -16.679 1.00 61.24 C ATOM 1372 O TYR A 92 13.598 -6.267 -15.690 1.00 13.22 O ATOM 1373 CB TYR A 92 16.144 -4.969 -15.488 1.00 53.32 C ATOM 1374 CG TYR A 92 17.457 -4.238 -15.655 1.00 12.11 C ATOM 1375 CD1 TYR A 92 17.747 -3.109 -14.899 1.00 14.34 C ATOM 1376 CD2 TYR A 92 18.407 -4.676 -16.569 1.00 41.50 C ATOM 1377 CE1 TYR A 92 18.945 -2.437 -15.048 1.00 33.21 C ATOM 1378 CE2 TYR A 92 19.608 -4.011 -16.724 1.00 23.21 C ATOM 1379 CZ TYR A 92 19.872 -2.893 -15.961 1.00 44.43 C ATOM 1380 OH TYR A 92 21.067 -2.227 -16.114 1.00 22.33 O ATOM 0 H TYR A 92 13.923 -3.379 -15.272 1.00 45.30 H new ATOM 0 HA TYR A 92 15.582 -4.430 -17.490 1.00 74.24 H new ATOM 0 HB2 TYR A 92 15.749 -4.767 -14.492 1.00 53.32 H new ATOM 0 HB3 TYR A 92 16.325 -6.042 -15.547 1.00 53.32 H new ATOM 0 HD1 TYR A 92 17.023 -2.750 -14.182 1.00 14.34 H new ATOM 0 HD2 TYR A 92 18.203 -5.551 -17.168 1.00 41.50 H new ATOM 0 HE1 TYR A 92 19.154 -1.560 -14.453 1.00 33.21 H new ATOM 0 HE2 TYR A 92 20.336 -4.365 -17.439 1.00 23.21 H new ATOM 0 HH TYR A 92 21.440 -2.424 -16.999 1.00 22.33 H new ATOM 1390 N ILE A 93 13.741 -6.035 -17.924 1.00 35.22 N ATOM 1391 CA ILE A 93 12.777 -7.092 -18.204 1.00 61.44 C ATOM 1392 C ILE A 93 13.328 -8.458 -17.806 1.00 53.34 C ATOM 1393 O ILE A 93 14.333 -8.916 -18.350 1.00 33.32 O ATOM 1394 CB ILE A 93 12.392 -7.122 -19.695 1.00 54.42 C ATOM 1395 CG1 ILE A 93 11.806 -5.773 -20.120 1.00 23.15 C ATOM 1396 CG2 ILE A 93 11.400 -8.244 -19.964 1.00 1.20 C ATOM 1397 CD1 ILE A 93 11.795 -5.564 -21.618 1.00 4.44 C ATOM 0 H ILE A 93 14.126 -5.584 -18.754 1.00 35.22 H new ATOM 0 HA ILE A 93 11.888 -6.874 -17.611 1.00 61.44 H new ATOM 0 HB ILE A 93 13.290 -7.309 -20.283 1.00 54.42 H new ATOM 0 HG12 ILE A 93 10.786 -5.694 -19.743 1.00 23.15 H new ATOM 0 HG13 ILE A 93 12.381 -4.973 -19.654 1.00 23.15 H new ATOM 0 HG21 ILE A 93 11.138 -8.252 -21.022 1.00 1.20 H new ATOM 0 HG22 ILE A 93 11.850 -9.200 -19.694 1.00 1.20 H new ATOM 0 HG23 ILE A 93 10.501 -8.085 -19.369 1.00 1.20 H new ATOM 0 HD11 ILE A 93 11.367 -4.588 -21.846 1.00 4.44 H new ATOM 0 HD12 ILE A 93 12.815 -5.611 -21.999 1.00 4.44 H new ATOM 0 HD13 ILE A 93 11.195 -6.343 -22.090 1.00 4.44 H new ATOM 1409 N VAL A 94 12.661 -9.104 -16.855 1.00 62.01 N ATOM 1410 CA VAL A 94 13.081 -10.420 -16.387 1.00 14.41 C ATOM 1411 C VAL A 94 11.975 -11.451 -16.583 1.00 63.05 C ATOM 1412 O VAL A 94 10.791 -11.140 -16.449 1.00 24.12 O ATOM 1413 CB VAL A 94 13.477 -10.386 -14.899 1.00 2.41 C ATOM 1414 CG1 VAL A 94 13.967 -11.753 -14.445 1.00 55.53 C ATOM 1415 CG2 VAL A 94 14.538 -9.323 -14.655 1.00 14.42 C ATOM 0 H VAL A 94 11.828 -8.738 -16.394 1.00 62.01 H new ATOM 0 HA VAL A 94 13.950 -10.705 -16.981 1.00 14.41 H new ATOM 0 HB VAL A 94 12.595 -10.129 -14.312 1.00 2.41 H new ATOM 0 HG11 VAL A 94 14.242 -11.709 -13.391 1.00 55.53 H new ATOM 0 HG12 VAL A 94 13.174 -12.488 -14.583 1.00 55.53 H new ATOM 0 HG13 VAL A 94 14.836 -12.042 -15.035 1.00 55.53 H new ATOM 0 HG21 VAL A 94 14.806 -9.312 -13.599 1.00 14.42 H new ATOM 0 HG22 VAL A 94 15.422 -9.548 -15.252 1.00 14.42 H new ATOM 0 HG23 VAL A 94 14.147 -8.346 -14.940 1.00 14.42 H new ATOM 1425 N ILE A 95 12.370 -12.679 -16.902 1.00 73.21 N ATOM 1426 CA ILE A 95 11.412 -13.757 -17.115 1.00 21.31 C ATOM 1427 C ILE A 95 11.598 -14.868 -16.087 1.00 71.41 C ATOM 1428 O ILE A 95 12.642 -15.518 -16.041 1.00 52.32 O ATOM 1429 CB ILE A 95 11.541 -14.354 -18.529 1.00 25.33 C ATOM 1430 CG1 ILE A 95 11.363 -13.262 -19.585 1.00 61.24 C ATOM 1431 CG2 ILE A 95 10.522 -15.465 -18.730 1.00 33.31 C ATOM 1432 CD1 ILE A 95 10.000 -12.607 -19.553 1.00 1.22 C ATOM 0 H ILE A 95 13.346 -12.952 -17.019 1.00 73.21 H new ATOM 0 HA ILE A 95 10.418 -13.323 -17.002 1.00 21.31 H new ATOM 0 HB ILE A 95 12.539 -14.779 -18.638 1.00 25.33 H new ATOM 0 HG12 ILE A 95 12.127 -12.499 -19.439 1.00 61.24 H new ATOM 0 HG13 ILE A 95 11.527 -13.693 -20.573 1.00 61.24 H new ATOM 0 HG21 ILE A 95 10.626 -15.877 -19.734 1.00 33.31 H new ATOM 0 HG22 ILE A 95 10.692 -16.252 -17.996 1.00 33.31 H new ATOM 0 HG23 ILE A 95 9.516 -15.063 -18.605 1.00 33.31 H new ATOM 0 HD11 ILE A 95 9.945 -11.843 -20.329 1.00 1.22 H new ATOM 0 HD12 ILE A 95 9.231 -13.359 -19.729 1.00 1.22 H new ATOM 0 HD13 ILE A 95 9.841 -12.146 -18.578 1.00 1.22 H new ATOM 1444 N GLY A 96 10.576 -15.083 -15.264 1.00 11.10 N ATOM 1445 CA GLY A 96 10.646 -16.117 -14.248 1.00 72.24 C ATOM 1446 C GLY A 96 11.860 -15.970 -13.353 1.00 41.42 C ATOM 1447 O GLY A 96 12.508 -14.923 -13.341 1.00 10.20 O ATOM 0 H GLY A 96 9.701 -14.559 -15.283 1.00 11.10 H new ATOM 0 HA2 GLY A 96 9.743 -16.084 -13.638 1.00 72.24 H new ATOM 0 HA3 GLY A 96 10.670 -17.094 -14.730 1.00 72.24 H new ATOM 1451 N VAL A 97 12.169 -17.020 -12.600 1.00 23.21 N ATOM 1452 CA VAL A 97 13.313 -17.003 -11.696 1.00 43.22 C ATOM 1453 C VAL A 97 14.156 -18.264 -11.852 1.00 42.54 C ATOM 1454 O VAL A 97 13.660 -19.306 -12.276 1.00 33.54 O ATOM 1455 CB VAL A 97 12.867 -16.876 -10.228 1.00 13.14 C ATOM 1456 CG1 VAL A 97 12.112 -15.573 -10.009 1.00 61.35 C ATOM 1457 CG2 VAL A 97 12.014 -18.070 -9.826 1.00 14.54 C ATOM 0 H VAL A 97 11.643 -17.894 -12.598 1.00 23.21 H new ATOM 0 HA VAL A 97 13.913 -16.133 -11.962 1.00 43.22 H new ATOM 0 HB VAL A 97 13.755 -16.863 -9.596 1.00 13.14 H new ATOM 0 HG11 VAL A 97 11.805 -15.501 -8.966 1.00 61.35 H new ATOM 0 HG12 VAL A 97 12.760 -14.731 -10.255 1.00 61.35 H new ATOM 0 HG13 VAL A 97 11.230 -15.552 -10.649 1.00 61.35 H new ATOM 0 HG21 VAL A 97 11.707 -17.964 -8.785 1.00 14.54 H new ATOM 0 HG22 VAL A 97 11.130 -18.116 -10.462 1.00 14.54 H new ATOM 0 HG23 VAL A 97 12.593 -18.986 -9.942 1.00 14.54 H new ATOM 1467 N GLY A 98 15.436 -18.160 -11.507 1.00 1.11 N ATOM 1468 CA GLY A 98 16.329 -19.299 -11.617 1.00 52.32 C ATOM 1469 C GLY A 98 17.786 -18.888 -11.686 1.00 63.33 C ATOM 1470 O GLY A 98 18.125 -17.734 -11.428 1.00 51.25 O ATOM 0 H GLY A 98 15.870 -17.308 -11.153 1.00 1.11 H new ATOM 0 HA2 GLY A 98 16.180 -19.957 -10.761 1.00 52.32 H new ATOM 0 HA3 GLY A 98 16.074 -19.872 -12.508 1.00 52.32 H new ATOM 1474 N GLU A 99 18.651 -19.837 -12.034 1.00 11.44 N ATOM 1475 CA GLU A 99 20.081 -19.568 -12.130 1.00 53.53 C ATOM 1476 C GLU A 99 20.431 -18.967 -13.489 1.00 33.31 C ATOM 1477 O GLU A 99 21.300 -18.102 -13.593 1.00 50.31 O ATOM 1478 CB GLU A 99 20.880 -20.853 -11.907 1.00 3.20 C ATOM 1479 CG GLU A 99 20.481 -21.608 -10.650 1.00 52.33 C ATOM 1480 CD GLU A 99 21.597 -22.485 -10.117 1.00 52.10 C ATOM 1481 OE1 GLU A 99 21.756 -23.615 -10.624 1.00 42.15 O ATOM 1482 OE2 GLU A 99 22.310 -22.042 -9.193 1.00 22.12 O ATOM 0 H GLU A 99 18.386 -20.797 -12.254 1.00 11.44 H new ATOM 0 HA GLU A 99 20.342 -18.847 -11.355 1.00 53.53 H new ATOM 0 HB2 GLU A 99 20.749 -21.506 -12.770 1.00 3.20 H new ATOM 0 HB3 GLU A 99 21.940 -20.606 -11.851 1.00 3.20 H new ATOM 0 HG2 GLU A 99 20.186 -20.895 -9.881 1.00 52.33 H new ATOM 0 HG3 GLU A 99 19.609 -22.226 -10.863 1.00 52.33 H new ATOM 1489 N LYS A 100 19.748 -19.434 -14.529 1.00 12.02 N ATOM 1490 CA LYS A 100 19.985 -18.945 -15.882 1.00 31.40 C ATOM 1491 C LYS A 100 18.990 -17.849 -16.247 1.00 13.54 C ATOM 1492 O LYS A 100 18.575 -17.731 -17.400 1.00 14.53 O ATOM 1493 CB LYS A 100 19.883 -20.095 -16.887 1.00 23.44 C ATOM 1494 CG LYS A 100 21.077 -21.034 -16.859 1.00 31.41 C ATOM 1495 CD LYS A 100 20.663 -22.453 -16.504 1.00 54.40 C ATOM 1496 CE LYS A 100 21.489 -23.481 -17.261 1.00 52.34 C ATOM 1497 NZ LYS A 100 21.208 -23.450 -18.724 1.00 3.44 N ATOM 0 H LYS A 100 19.026 -20.151 -14.460 1.00 12.02 H new ATOM 0 HA LYS A 100 20.990 -18.526 -15.918 1.00 31.40 H new ATOM 0 HB2 LYS A 100 18.977 -20.666 -16.683 1.00 23.44 H new ATOM 0 HB3 LYS A 100 19.780 -19.682 -17.890 1.00 23.44 H new ATOM 0 HG2 LYS A 100 21.567 -21.030 -17.833 1.00 31.41 H new ATOM 0 HG3 LYS A 100 21.807 -20.675 -16.133 1.00 31.41 H new ATOM 0 HD2 LYS A 100 20.780 -22.609 -15.432 1.00 54.40 H new ATOM 0 HD3 LYS A 100 19.607 -22.593 -16.734 1.00 54.40 H new ATOM 0 HE2 LYS A 100 22.549 -23.292 -17.091 1.00 52.34 H new ATOM 0 HE3 LYS A 100 21.276 -24.476 -16.871 1.00 52.34 H new ATOM 0 HZ1 LYS A 100 21.445 -24.372 -19.143 1.00 3.44 H new ATOM 0 HZ2 LYS A 100 20.200 -23.248 -18.880 1.00 3.44 H new ATOM 0 HZ3 LYS A 100 21.783 -22.708 -19.172 1.00 3.44 H new ATOM 1511 N LYS A 101 18.611 -17.047 -15.257 1.00 42.41 N ATOM 1512 CA LYS A 101 17.667 -15.957 -15.473 1.00 73.03 C ATOM 1513 C LYS A 101 18.119 -15.066 -16.626 1.00 11.45 C ATOM 1514 O LYS A 101 19.316 -14.869 -16.838 1.00 31.43 O ATOM 1515 CB LYS A 101 17.517 -15.124 -14.198 1.00 50.14 C ATOM 1516 CG LYS A 101 16.384 -15.587 -13.299 1.00 25.25 C ATOM 1517 CD LYS A 101 16.458 -14.934 -11.929 1.00 13.23 C ATOM 1518 CE LYS A 101 16.326 -13.422 -12.025 1.00 4.52 C ATOM 1519 NZ LYS A 101 16.467 -12.767 -10.695 1.00 13.04 N ATOM 0 H LYS A 101 18.944 -17.132 -14.297 1.00 42.41 H new ATOM 0 HA LYS A 101 16.701 -16.392 -15.731 1.00 73.03 H new ATOM 0 HB2 LYS A 101 18.452 -15.160 -13.638 1.00 50.14 H new ATOM 0 HB3 LYS A 101 17.350 -14.082 -14.472 1.00 50.14 H new ATOM 0 HG2 LYS A 101 15.428 -15.349 -13.765 1.00 25.25 H new ATOM 0 HG3 LYS A 101 16.425 -16.671 -13.189 1.00 25.25 H new ATOM 0 HD2 LYS A 101 15.666 -15.330 -11.293 1.00 13.23 H new ATOM 0 HD3 LYS A 101 17.406 -15.188 -11.454 1.00 13.23 H new ATOM 0 HE2 LYS A 101 17.086 -13.034 -12.703 1.00 4.52 H new ATOM 0 HE3 LYS A 101 15.356 -13.169 -12.454 1.00 4.52 H new ATOM 0 HZ1 LYS A 101 16.371 -11.737 -10.803 1.00 13.04 H new ATOM 0 HZ2 LYS A 101 15.727 -13.118 -10.055 1.00 13.04 H new ATOM 0 HZ3 LYS A 101 17.402 -12.987 -10.297 1.00 13.04 H new ATOM 1533 N ILE A 102 17.155 -14.528 -17.365 1.00 12.20 N ATOM 1534 CA ILE A 102 17.455 -13.655 -18.493 1.00 11.31 C ATOM 1535 C ILE A 102 17.081 -12.209 -18.184 1.00 33.01 C ATOM 1536 O ILE A 102 16.092 -11.944 -17.500 1.00 35.13 O ATOM 1537 CB ILE A 102 16.713 -14.104 -19.766 1.00 23.23 C ATOM 1538 CG1 ILE A 102 15.202 -13.947 -19.584 1.00 62.21 C ATOM 1539 CG2 ILE A 102 17.065 -15.546 -20.102 1.00 51.43 C ATOM 1540 CD1 ILE A 102 14.402 -14.348 -20.804 1.00 2.22 C ATOM 0 H ILE A 102 16.160 -14.681 -17.203 1.00 12.20 H new ATOM 0 HA ILE A 102 18.529 -13.721 -18.666 1.00 11.31 H new ATOM 0 HB ILE A 102 17.027 -13.471 -20.595 1.00 23.23 H new ATOM 0 HG12 ILE A 102 14.882 -14.551 -18.735 1.00 62.21 H new ATOM 0 HG13 ILE A 102 14.980 -12.908 -19.339 1.00 62.21 H new ATOM 0 HG21 ILE A 102 16.533 -15.850 -21.004 1.00 51.43 H new ATOM 0 HG22 ILE A 102 18.139 -15.629 -20.269 1.00 51.43 H new ATOM 0 HG23 ILE A 102 16.775 -16.194 -19.275 1.00 51.43 H new ATOM 0 HD11 ILE A 102 13.339 -14.211 -20.603 1.00 2.22 H new ATOM 0 HD12 ILE A 102 14.694 -13.727 -21.651 1.00 2.22 H new ATOM 0 HD13 ILE A 102 14.595 -15.395 -21.038 1.00 2.22 H new ATOM 1552 N THR A 103 17.877 -11.275 -18.694 1.00 65.12 N ATOM 1553 CA THR A 103 17.631 -9.856 -18.473 1.00 1.14 C ATOM 1554 C THR A 103 17.791 -9.062 -19.764 1.00 4.21 C ATOM 1555 O THR A 103 18.502 -9.481 -20.678 1.00 72.13 O ATOM 1556 CB THR A 103 18.583 -9.280 -17.408 1.00 4.14 C ATOM 1557 OG1 THR A 103 19.886 -9.856 -17.553 1.00 3.14 O ATOM 1558 CG2 THR A 103 18.056 -9.552 -16.007 1.00 3.43 C ATOM 0 H THR A 103 18.699 -11.476 -19.264 1.00 65.12 H new ATOM 0 HA THR A 103 16.604 -9.765 -18.119 1.00 1.14 H new ATOM 0 HB THR A 103 18.645 -8.201 -17.553 1.00 4.14 H new ATOM 0 HG1 THR A 103 20.486 -9.483 -16.873 1.00 3.14 H new ATOM 0 HG21 THR A 103 18.745 -9.136 -15.272 1.00 3.43 H new ATOM 0 HG22 THR A 103 17.077 -9.088 -15.890 1.00 3.43 H new ATOM 0 HG23 THR A 103 17.968 -10.628 -15.854 1.00 3.43 H new ATOM 1566 N HIS A 104 17.128 -7.912 -19.833 1.00 35.23 N ATOM 1567 CA HIS A 104 17.197 -7.058 -21.013 1.00 64.42 C ATOM 1568 C HIS A 104 17.136 -5.585 -20.622 1.00 41.14 C ATOM 1569 O HIS A 104 16.481 -5.218 -19.647 1.00 13.44 O ATOM 1570 CB HIS A 104 16.058 -7.390 -21.977 1.00 33.41 C ATOM 1571 CG HIS A 104 16.261 -6.843 -23.356 1.00 70.11 C ATOM 1572 ND1 HIS A 104 17.001 -7.492 -24.322 1.00 4.23 N ATOM 1573 CD2 HIS A 104 15.814 -5.702 -23.930 1.00 40.24 C ATOM 1574 CE1 HIS A 104 17.003 -6.772 -25.430 1.00 34.43 C ATOM 1575 NE2 HIS A 104 16.289 -5.681 -25.219 1.00 33.32 N ATOM 0 H HIS A 104 16.537 -7.550 -19.085 1.00 35.23 H new ATOM 0 HA HIS A 104 18.149 -7.244 -21.510 1.00 64.42 H new ATOM 0 HB2 HIS A 104 15.948 -8.473 -22.037 1.00 33.41 H new ATOM 0 HB3 HIS A 104 15.125 -6.997 -21.573 1.00 33.41 H new ATOM 0 HD2 HIS A 104 15.198 -4.948 -23.462 1.00 40.24 H new ATOM 0 HE1 HIS A 104 17.503 -7.031 -26.351 1.00 34.43 H new ATOM 0 HE2 HIS A 104 16.118 -4.943 -25.902 1.00 33.32 H new ATOM 1583 N HIS A 105 17.824 -4.745 -21.390 1.00 15.13 N ATOM 1584 CA HIS A 105 17.848 -3.311 -21.123 1.00 22.24 C ATOM 1585 C HIS A 105 16.710 -2.603 -21.852 1.00 24.11 C ATOM 1586 O HIS A 105 16.632 -2.636 -23.080 1.00 3.20 O ATOM 1587 CB HIS A 105 19.191 -2.715 -21.547 1.00 14.01 C ATOM 1588 CG HIS A 105 20.322 -3.080 -20.636 1.00 45.53 C ATOM 1589 ND1 HIS A 105 20.817 -4.362 -20.527 1.00 21.03 N ATOM 1590 CD2 HIS A 105 21.058 -2.321 -19.791 1.00 44.50 C ATOM 1591 CE1 HIS A 105 21.807 -4.376 -19.652 1.00 61.51 C ATOM 1592 NE2 HIS A 105 21.974 -3.150 -19.191 1.00 50.13 N ATOM 0 H HIS A 105 18.372 -5.032 -22.201 1.00 15.13 H new ATOM 0 HA HIS A 105 17.716 -3.163 -20.051 1.00 22.24 H new ATOM 0 HB2 HIS A 105 19.426 -3.051 -22.557 1.00 14.01 H new ATOM 0 HB3 HIS A 105 19.102 -1.629 -21.585 1.00 14.01 H new ATOM 0 HD1 HIS A 105 20.473 -5.173 -21.041 1.00 21.03 H new ATOM 0 HD2 HIS A 105 20.946 -1.260 -19.620 1.00 44.50 H new ATOM 0 HE1 HIS A 105 22.382 -5.243 -19.363 1.00 61.51 H new ATOM 1600 N TRP A 106 15.831 -1.965 -21.088 1.00 22.22 N ATOM 1601 CA TRP A 106 14.696 -1.251 -21.662 1.00 21.52 C ATOM 1602 C TRP A 106 14.736 0.226 -21.286 1.00 74.32 C ATOM 1603 O TRP A 106 14.775 0.575 -20.106 1.00 40.41 O ATOM 1604 CB TRP A 106 13.382 -1.876 -21.188 1.00 45.24 C ATOM 1605 CG TRP A 106 12.171 -1.096 -21.602 1.00 61.21 C ATOM 1606 CD1 TRP A 106 11.140 -0.697 -20.800 1.00 44.43 C ATOM 1607 CD2 TRP A 106 11.864 -0.624 -22.919 1.00 23.15 C ATOM 1608 NE1 TRP A 106 10.211 -0.004 -21.539 1.00 22.50 N ATOM 1609 CE2 TRP A 106 10.632 0.055 -22.841 1.00 64.41 C ATOM 1610 CE3 TRP A 106 12.511 -0.707 -24.154 1.00 41.35 C ATOM 1611 CZ2 TRP A 106 10.037 0.644 -23.953 1.00 14.43 C ATOM 1612 CZ3 TRP A 106 11.918 -0.121 -25.257 1.00 24.11 C ATOM 1613 CH2 TRP A 106 10.692 0.548 -25.150 1.00 51.12 C ATOM 0 H TRP A 106 15.882 -1.927 -20.070 1.00 22.22 H new ATOM 0 HA TRP A 106 14.758 -1.332 -22.747 1.00 21.52 H new ATOM 0 HB2 TRP A 106 13.306 -2.889 -21.584 1.00 45.24 H new ATOM 0 HB3 TRP A 106 13.398 -1.959 -20.101 1.00 45.24 H new ATOM 0 HD1 TRP A 106 11.066 -0.897 -19.741 1.00 44.43 H new ATOM 0 HE1 TRP A 106 9.348 0.401 -21.176 1.00 22.50 H new ATOM 0 HE3 TRP A 106 13.457 -1.220 -24.246 1.00 41.35 H new ATOM 0 HZ2 TRP A 106 9.091 1.159 -23.873 1.00 14.43 H new ATOM 0 HZ3 TRP A 106 12.408 -0.180 -26.217 1.00 24.11 H new ATOM 0 HH2 TRP A 106 10.255 0.997 -26.030 1.00 51.12 H new ATOM 1624 N HIS A 107 14.725 1.089 -22.297 1.00 15.44 N ATOM 1625 CA HIS A 107 14.760 2.530 -22.071 1.00 42.13 C ATOM 1626 C HIS A 107 13.779 3.249 -22.993 1.00 31.54 C ATOM 1627 O HIS A 107 13.558 2.828 -24.129 1.00 10.55 O ATOM 1628 CB HIS A 107 16.174 3.068 -22.294 1.00 61.42 C ATOM 1629 CG HIS A 107 16.686 2.848 -23.684 1.00 61.24 C ATOM 1630 ND1 HIS A 107 16.867 3.871 -24.590 1.00 41.44 N ATOM 1631 CD2 HIS A 107 17.058 1.713 -24.322 1.00 2.13 C ATOM 1632 CE1 HIS A 107 17.327 3.376 -25.725 1.00 74.34 C ATOM 1633 NE2 HIS A 107 17.452 2.068 -25.589 1.00 11.05 N ATOM 0 H HIS A 107 14.692 0.816 -23.279 1.00 15.44 H new ATOM 0 HA HIS A 107 14.466 2.718 -21.038 1.00 42.13 H new ATOM 0 HB2 HIS A 107 16.186 4.136 -22.076 1.00 61.42 H new ATOM 0 HB3 HIS A 107 16.851 2.590 -21.586 1.00 61.42 H new ATOM 0 HD2 HIS A 107 17.047 0.714 -23.911 1.00 2.13 H new ATOM 0 HE1 HIS A 107 17.561 3.944 -26.613 1.00 74.34 H new ATOM 0 HE2 HIS A 107 17.787 1.426 -26.308 1.00 11.05 H new ATOM 1641 N ARG A 108 13.193 4.333 -22.495 1.00 70.31 N ATOM 1642 CA ARG A 108 12.233 5.107 -23.272 1.00 72.03 C ATOM 1643 C ARG A 108 12.946 6.116 -24.168 1.00 11.03 C ATOM 1644 O ARG A 108 13.900 6.770 -23.746 1.00 14.10 O ATOM 1645 CB ARG A 108 11.259 5.833 -22.342 1.00 50.04 C ATOM 1646 CG ARG A 108 11.945 6.707 -21.305 1.00 15.10 C ATOM 1647 CD ARG A 108 10.982 7.720 -20.706 1.00 54.32 C ATOM 1648 NE ARG A 108 10.739 8.844 -21.607 1.00 71.33 N ATOM 1649 CZ ARG A 108 10.172 9.983 -21.226 1.00 21.24 C ATOM 1650 NH1 ARG A 108 9.792 10.149 -19.966 1.00 71.43 N ATOM 1651 NH2 ARG A 108 9.985 10.959 -22.104 1.00 51.24 N ATOM 0 H ARG A 108 13.366 4.695 -21.557 1.00 70.31 H new ATOM 0 HA ARG A 108 11.675 4.417 -23.904 1.00 72.03 H new ATOM 0 HB2 ARG A 108 10.590 6.451 -22.941 1.00 50.04 H new ATOM 0 HB3 ARG A 108 10.640 5.096 -21.831 1.00 50.04 H new ATOM 0 HG2 ARG A 108 12.355 6.080 -20.513 1.00 15.10 H new ATOM 0 HG3 ARG A 108 12.784 7.229 -21.765 1.00 15.10 H new ATOM 0 HD2 ARG A 108 10.036 7.229 -20.476 1.00 54.32 H new ATOM 0 HD3 ARG A 108 11.386 8.091 -19.764 1.00 54.32 H new ATOM 0 HE ARG A 108 11.020 8.749 -22.583 1.00 71.33 H new ATOM 0 HH11 ARG A 108 9.935 9.401 -19.287 1.00 71.43 H new ATOM 0 HH12 ARG A 108 9.357 11.025 -19.676 1.00 71.43 H new ATOM 0 HH21 ARG A 108 10.277 10.836 -23.074 1.00 51.24 H new ATOM 0 HH22 ARG A 108 9.549 11.833 -21.810 1.00 51.24 H new