USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 878 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 34 THR OG1 : rot -27:sc= 1.55 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 137:sc= 0.917 (180deg=-0.343) USER MOD Single : A 17 GLN : amide:sc= -0.938 K(o=-0.94,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 32 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.98) USER MOD Single : A 40 ASN : amide:sc= -3.17! C(o=-3.2!,f=-8.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc=-0.000724 X(o=-0.00072,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -132:sc= -0.0167 (180deg=-0.599) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.0676 (180deg=-0.354) USER MOD Single : A 55 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.8) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 63 ASN : amide:sc= -0.452 K(o=-0.45,f=-2.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -81:sc= 0.958 USER MOD Single : A 72 SER OG : rot 180:sc= 0.022 USER MOD Single : A 77 GLN : amide:sc= -1.02 X(o=-1,f=-0.73) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.602 K(o=0.6,f=-6.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.2) USER MOD Single : A 113 CYS SG : rot 59:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.783 5.711 11.327 1.00 64.41 N ATOM 281 CA GLN A 17 -5.179 4.800 10.360 1.00 34.12 C ATOM 282 C GLN A 17 -3.846 5.322 9.821 1.00 43.45 C ATOM 283 O GLN A 17 -2.847 4.603 9.823 1.00 12.10 O ATOM 284 CB GLN A 17 -6.152 4.543 9.204 1.00 71.03 C ATOM 285 CG GLN A 17 -6.785 5.808 8.633 1.00 33.03 C ATOM 286 CD GLN A 17 -7.657 5.546 7.416 1.00 30.14 C ATOM 287 OE1 GLN A 17 -7.803 6.408 6.549 1.00 24.41 O ATOM 288 NE2 GLN A 17 -8.236 4.359 7.339 1.00 33.11 N ATOM 0 HA GLN A 17 -4.971 3.865 10.880 1.00 34.12 H new ATOM 0 HB2 GLN A 17 -5.623 4.022 8.406 1.00 71.03 H new ATOM 0 HB3 GLN A 17 -6.943 3.877 9.550 1.00 71.03 H new ATOM 0 HG2 GLN A 17 -7.386 6.286 9.406 1.00 33.03 H new ATOM 0 HG3 GLN A 17 -5.997 6.510 8.362 1.00 33.03 H new ATOM 0 HE21 GLN A 17 -8.090 3.672 8.078 1.00 33.11 H new ATOM 0 HE22 GLN A 17 -8.828 4.131 6.540 1.00 33.11 H new ATOM 297 N PHE A 18 -3.829 6.578 9.394 1.00 31.21 N ATOM 298 CA PHE A 18 -2.654 7.149 8.747 1.00 60.20 C ATOM 299 C PHE A 18 -1.492 7.293 9.731 1.00 43.34 C ATOM 300 O PHE A 18 -0.339 7.078 9.375 1.00 2.35 O ATOM 301 CB PHE A 18 -3.003 8.507 8.133 1.00 13.14 C ATOM 302 CG PHE A 18 -1.924 9.076 7.258 1.00 73.20 C ATOM 303 CD1 PHE A 18 -1.753 8.614 5.964 1.00 72.15 C ATOM 304 CD2 PHE A 18 -1.084 10.073 7.728 1.00 45.13 C ATOM 305 CE1 PHE A 18 -0.764 9.134 5.153 1.00 3.03 C ATOM 306 CE2 PHE A 18 -0.093 10.597 6.922 1.00 74.52 C ATOM 307 CZ PHE A 18 0.069 10.127 5.633 1.00 32.42 C ATOM 0 H PHE A 18 -4.616 7.221 9.484 1.00 31.21 H new ATOM 0 HA PHE A 18 -2.338 6.469 7.956 1.00 60.20 H new ATOM 0 HB2 PHE A 18 -3.916 8.405 7.547 1.00 13.14 H new ATOM 0 HB3 PHE A 18 -3.216 9.213 8.935 1.00 13.14 H new ATOM 0 HD1 PHE A 18 -2.401 7.838 5.585 1.00 72.15 H new ATOM 0 HD2 PHE A 18 -1.206 10.444 8.735 1.00 45.13 H new ATOM 0 HE1 PHE A 18 -0.641 8.765 4.145 1.00 3.03 H new ATOM 0 HE2 PHE A 18 0.555 11.374 7.299 1.00 74.52 H new ATOM 0 HZ PHE A 18 0.845 10.535 5.002 1.00 32.42 H new ATOM 317 N THR A 19 -1.810 7.641 10.970 1.00 54.42 N ATOM 318 CA THR A 19 -0.792 7.880 11.984 1.00 43.10 C ATOM 319 C THR A 19 -0.095 6.583 12.398 1.00 40.12 C ATOM 320 O THR A 19 1.133 6.529 12.482 1.00 2.14 O ATOM 321 CB THR A 19 -1.410 8.542 13.229 1.00 52.40 C ATOM 322 OG1 THR A 19 -2.207 9.667 12.831 1.00 11.22 O ATOM 323 CG2 THR A 19 -0.330 8.995 14.204 1.00 4.52 C ATOM 0 H THR A 19 -2.768 7.764 11.298 1.00 54.42 H new ATOM 0 HA THR A 19 -0.052 8.548 11.544 1.00 43.10 H new ATOM 0 HB THR A 19 -2.037 7.806 13.733 1.00 52.40 H new ATOM 0 HG1 THR A 19 -2.601 10.086 13.625 1.00 11.22 H new ATOM 0 HG21 THR A 19 -0.796 9.459 15.073 1.00 4.52 H new ATOM 0 HG22 THR A 19 0.257 8.134 14.523 1.00 4.52 H new ATOM 0 HG23 THR A 19 0.323 9.717 13.714 1.00 4.52 H new ATOM 331 N PHE A 20 -0.882 5.538 12.632 1.00 75.34 N ATOM 332 CA PHE A 20 -0.358 4.276 13.144 1.00 71.23 C ATOM 333 C PHE A 20 0.627 3.640 12.161 1.00 5.33 C ATOM 334 O PHE A 20 1.680 3.138 12.557 1.00 74.24 O ATOM 335 CB PHE A 20 -1.513 3.309 13.437 1.00 3.02 C ATOM 336 CG PHE A 20 -1.106 2.098 14.229 1.00 22.14 C ATOM 337 CD1 PHE A 20 -1.027 2.158 15.612 1.00 0.52 C ATOM 338 CD2 PHE A 20 -0.806 0.903 13.597 1.00 62.23 C ATOM 339 CE1 PHE A 20 -0.654 1.050 16.346 1.00 61.34 C ATOM 340 CE2 PHE A 20 -0.433 -0.208 14.328 1.00 41.10 C ATOM 341 CZ PHE A 20 -0.358 -0.136 15.704 1.00 63.12 C ATOM 0 H PHE A 20 -1.890 5.540 12.474 1.00 75.34 H new ATOM 0 HA PHE A 20 0.181 4.484 14.068 1.00 71.23 H new ATOM 0 HB2 PHE A 20 -2.292 3.843 13.982 1.00 3.02 H new ATOM 0 HB3 PHE A 20 -1.950 2.984 12.493 1.00 3.02 H new ATOM 0 HD1 PHE A 20 -1.260 3.082 16.121 1.00 0.52 H new ATOM 0 HD2 PHE A 20 -0.864 0.839 12.520 1.00 62.23 H new ATOM 0 HE1 PHE A 20 -0.594 1.111 17.423 1.00 61.34 H new ATOM 0 HE2 PHE A 20 -0.200 -1.133 13.822 1.00 41.10 H new ATOM 0 HZ PHE A 20 -0.069 -1.005 16.277 1.00 63.12 H new ATOM 351 N VAL A 21 0.289 3.678 10.877 1.00 13.01 N ATOM 352 CA VAL A 21 1.115 3.046 9.854 1.00 3.43 C ATOM 353 C VAL A 21 2.334 3.910 9.513 1.00 3.22 C ATOM 354 O VAL A 21 3.338 3.413 9.008 1.00 32.41 O ATOM 355 CB VAL A 21 0.294 2.750 8.572 1.00 45.15 C ATOM 356 CG1 VAL A 21 -0.146 4.038 7.891 1.00 54.45 C ATOM 357 CG2 VAL A 21 1.081 1.870 7.611 1.00 15.32 C ATOM 0 H VAL A 21 -0.548 4.138 10.520 1.00 13.01 H new ATOM 0 HA VAL A 21 1.468 2.099 10.263 1.00 3.43 H new ATOM 0 HB VAL A 21 -0.602 2.207 8.870 1.00 45.15 H new ATOM 0 HG11 VAL A 21 -0.719 3.799 6.995 1.00 54.45 H new ATOM 0 HG12 VAL A 21 -0.766 4.618 8.575 1.00 54.45 H new ATOM 0 HG13 VAL A 21 0.732 4.622 7.614 1.00 54.45 H new ATOM 0 HG21 VAL A 21 0.482 1.678 6.721 1.00 15.32 H new ATOM 0 HG22 VAL A 21 2.003 2.377 7.326 1.00 15.32 H new ATOM 0 HG23 VAL A 21 1.322 0.925 8.097 1.00 15.32 H new ATOM 367 N PHE A 22 2.251 5.198 9.826 1.00 33.55 N ATOM 368 CA PHE A 22 3.312 6.136 9.488 1.00 52.32 C ATOM 369 C PHE A 22 4.524 5.963 10.401 1.00 60.32 C ATOM 370 O PHE A 22 5.665 6.095 9.958 1.00 20.13 O ATOM 371 CB PHE A 22 2.790 7.573 9.583 1.00 5.33 C ATOM 372 CG PHE A 22 3.818 8.620 9.244 1.00 45.44 C ATOM 373 CD1 PHE A 22 4.148 8.883 7.925 1.00 11.43 C ATOM 374 CD2 PHE A 22 4.449 9.343 10.246 1.00 50.34 C ATOM 375 CE1 PHE A 22 5.090 9.844 7.610 1.00 22.33 C ATOM 376 CE2 PHE A 22 5.392 10.305 9.936 1.00 31.32 C ATOM 377 CZ PHE A 22 5.712 10.556 8.617 1.00 73.21 C ATOM 0 H PHE A 22 1.459 5.616 10.314 1.00 33.55 H new ATOM 0 HA PHE A 22 3.628 5.929 8.466 1.00 52.32 H new ATOM 0 HB2 PHE A 22 1.938 7.684 8.913 1.00 5.33 H new ATOM 0 HB3 PHE A 22 2.425 7.750 10.595 1.00 5.33 H new ATOM 0 HD1 PHE A 22 3.664 8.331 7.133 1.00 11.43 H new ATOM 0 HD2 PHE A 22 4.201 9.152 11.280 1.00 50.34 H new ATOM 0 HE1 PHE A 22 5.340 10.038 6.577 1.00 22.33 H new ATOM 0 HE2 PHE A 22 5.878 10.860 10.725 1.00 31.32 H new ATOM 0 HZ PHE A 22 6.448 11.308 8.373 1.00 73.21 H new ATOM 387 N GLN A 23 4.268 5.662 11.670 1.00 44.04 N ATOM 388 CA GLN A 23 5.328 5.600 12.675 1.00 23.13 C ATOM 389 C GLN A 23 6.368 4.532 12.336 1.00 4.22 C ATOM 390 O GLN A 23 7.552 4.836 12.208 1.00 64.23 O ATOM 391 CB GLN A 23 4.732 5.343 14.062 1.00 52.25 C ATOM 392 CG GLN A 23 3.677 6.363 14.466 1.00 70.01 C ATOM 393 CD GLN A 23 4.222 7.774 14.650 1.00 71.45 C ATOM 394 OE1 GLN A 23 5.211 8.172 14.033 1.00 60.53 O ATOM 395 NE2 GLN A 23 3.558 8.545 15.495 1.00 44.24 N ATOM 0 H GLN A 23 3.336 5.457 12.029 1.00 44.04 H new ATOM 0 HA GLN A 23 5.836 6.564 12.679 1.00 23.13 H new ATOM 0 HB2 GLN A 23 4.289 4.347 14.080 1.00 52.25 H new ATOM 0 HB3 GLN A 23 5.534 5.349 14.800 1.00 52.25 H new ATOM 0 HG2 GLN A 23 2.895 6.382 13.707 1.00 70.01 H new ATOM 0 HG3 GLN A 23 3.211 6.040 15.397 1.00 70.01 H new ATOM 0 HE21 GLN A 23 2.743 8.179 15.987 1.00 44.24 H new ATOM 0 HE22 GLN A 23 3.861 9.506 15.654 1.00 44.24 H new ATOM 404 N GLN A 24 5.928 3.288 12.197 1.00 11.31 N ATOM 405 CA GLN A 24 6.828 2.202 11.816 1.00 3.34 C ATOM 406 C GLN A 24 6.204 1.348 10.718 1.00 23.44 C ATOM 407 O GLN A 24 5.596 0.308 10.990 1.00 41.13 O ATOM 408 CB GLN A 24 7.187 1.323 13.021 1.00 4.41 C ATOM 409 CG GLN A 24 7.978 2.045 14.103 1.00 41.44 C ATOM 410 CD GLN A 24 8.435 1.111 15.209 1.00 21.33 C ATOM 411 OE1 GLN A 24 9.527 0.543 15.148 1.00 25.23 O ATOM 412 NE2 GLN A 24 7.609 0.950 16.231 1.00 61.52 N ATOM 0 H GLN A 24 4.959 3.005 12.341 1.00 11.31 H new ATOM 0 HA GLN A 24 7.745 2.654 11.438 1.00 3.34 H new ATOM 0 HB2 GLN A 24 6.268 0.931 13.458 1.00 4.41 H new ATOM 0 HB3 GLN A 24 7.765 0.467 12.673 1.00 4.41 H new ATOM 0 HG2 GLN A 24 8.848 2.524 13.654 1.00 41.44 H new ATOM 0 HG3 GLN A 24 7.363 2.837 14.531 1.00 41.44 H new ATOM 0 HE21 GLN A 24 6.713 1.438 16.245 1.00 61.52 H new ATOM 0 HE22 GLN A 24 7.868 0.338 17.005 1.00 61.52 H new ATOM 421 N PRO A 25 6.325 1.789 9.461 1.00 33.41 N ATOM 422 CA PRO A 25 5.732 1.099 8.321 1.00 71.00 C ATOM 423 C PRO A 25 6.588 -0.060 7.813 1.00 75.14 C ATOM 424 O PRO A 25 7.820 0.006 7.821 1.00 22.52 O ATOM 425 CB PRO A 25 5.649 2.197 7.266 1.00 73.25 C ATOM 426 CG PRO A 25 6.799 3.100 7.567 1.00 13.10 C ATOM 427 CD PRO A 25 7.043 3.012 9.052 1.00 43.35 C ATOM 0 HA PRO A 25 4.775 0.643 8.576 1.00 71.00 H new ATOM 0 HB2 PRO A 25 5.722 1.785 6.259 1.00 73.25 H new ATOM 0 HB3 PRO A 25 4.701 2.731 7.324 1.00 73.25 H new ATOM 0 HG2 PRO A 25 7.686 2.796 7.011 1.00 13.10 H new ATOM 0 HG3 PRO A 25 6.574 4.125 7.272 1.00 13.10 H new ATOM 0 HD2 PRO A 25 8.107 2.944 9.278 1.00 43.35 H new ATOM 0 HD3 PRO A 25 6.662 3.891 9.572 1.00 43.35 H new ATOM 435 N GLN A 26 5.924 -1.121 7.373 1.00 0.25 N ATOM 436 CA GLN A 26 6.608 -2.251 6.762 1.00 25.10 C ATOM 437 C GLN A 26 6.831 -1.962 5.284 1.00 72.33 C ATOM 438 O GLN A 26 5.896 -1.600 4.569 1.00 5.04 O ATOM 439 CB GLN A 26 5.787 -3.529 6.947 1.00 55.15 C ATOM 440 CG GLN A 26 5.651 -3.945 8.402 1.00 73.42 C ATOM 441 CD GLN A 26 4.666 -5.079 8.603 1.00 54.24 C ATOM 442 OE1 GLN A 26 3.476 -4.857 8.827 1.00 35.35 O ATOM 443 NE2 GLN A 26 5.156 -6.304 8.528 1.00 62.35 N ATOM 0 H GLN A 26 4.911 -1.222 7.428 1.00 0.25 H new ATOM 0 HA GLN A 26 7.574 -2.398 7.245 1.00 25.10 H new ATOM 0 HB2 GLN A 26 4.794 -3.380 6.524 1.00 55.15 H new ATOM 0 HB3 GLN A 26 6.254 -4.338 6.386 1.00 55.15 H new ATOM 0 HG2 GLN A 26 6.627 -4.247 8.781 1.00 73.42 H new ATOM 0 HG3 GLN A 26 5.333 -3.085 8.992 1.00 73.42 H new ATOM 0 HE21 GLN A 26 6.149 -6.446 8.340 1.00 62.35 H new ATOM 0 HE22 GLN A 26 4.542 -7.108 8.658 1.00 62.35 H new ATOM 452 N ARG A 27 8.070 -2.104 4.835 1.00 10.22 N ATOM 453 CA ARG A 27 8.427 -1.759 3.466 1.00 1.53 C ATOM 454 C ARG A 27 8.148 -2.936 2.541 1.00 24.44 C ATOM 455 O ARG A 27 8.977 -3.833 2.392 1.00 34.12 O ATOM 456 CB ARG A 27 9.907 -1.353 3.395 1.00 43.25 C ATOM 457 CG ARG A 27 10.277 -0.473 2.201 1.00 42.31 C ATOM 458 CD ARG A 27 10.245 -1.225 0.877 1.00 13.11 C ATOM 459 NE ARG A 27 11.125 -2.393 0.888 1.00 73.34 N ATOM 460 CZ ARG A 27 12.306 -2.443 0.273 1.00 50.34 C ATOM 461 NH1 ARG A 27 12.775 -1.378 -0.375 1.00 13.03 N ATOM 462 NH2 ARG A 27 13.022 -3.560 0.310 1.00 4.45 N ATOM 0 H ARG A 27 8.844 -2.455 5.398 1.00 10.22 H new ATOM 0 HA ARG A 27 7.820 -0.914 3.141 1.00 1.53 H new ATOM 0 HB2 ARG A 27 10.168 -0.824 4.312 1.00 43.25 H new ATOM 0 HB3 ARG A 27 10.515 -2.257 3.364 1.00 43.25 H new ATOM 0 HG2 ARG A 27 9.588 0.370 2.151 1.00 42.31 H new ATOM 0 HG3 ARG A 27 11.274 -0.061 2.355 1.00 42.31 H new ATOM 0 HD2 ARG A 27 9.224 -1.543 0.665 1.00 13.11 H new ATOM 0 HD3 ARG A 27 10.544 -0.554 0.072 1.00 13.11 H new ATOM 0 HE ARG A 27 10.816 -3.220 1.398 1.00 73.34 H new ATOM 0 HH11 ARG A 27 12.229 -0.517 -0.403 1.00 13.03 H new ATOM 0 HH12 ARG A 27 13.680 -1.424 -0.843 1.00 13.03 H new ATOM 0 HH21 ARG A 27 12.668 -4.377 0.808 1.00 4.45 H new ATOM 0 HH22 ARG A 27 13.926 -3.602 -0.160 1.00 4.45 H new ATOM 476 N ALA A 28 6.971 -2.935 1.940 1.00 64.41 N ATOM 477 CA ALA A 28 6.580 -3.995 1.030 1.00 53.42 C ATOM 478 C ALA A 28 6.398 -3.455 -0.383 1.00 61.45 C ATOM 479 O ALA A 28 6.389 -2.242 -0.601 1.00 0.43 O ATOM 480 CB ALA A 28 5.299 -4.660 1.513 1.00 21.52 C ATOM 0 H ALA A 28 6.267 -2.208 2.067 1.00 64.41 H new ATOM 0 HA ALA A 28 7.375 -4.740 1.010 1.00 53.42 H new ATOM 0 HB1 ALA A 28 5.017 -5.453 0.821 1.00 21.52 H new ATOM 0 HB2 ALA A 28 5.460 -5.084 2.504 1.00 21.52 H new ATOM 0 HB3 ALA A 28 4.500 -3.920 1.561 1.00 21.52 H new ATOM 486 N GLY A 29 6.269 -4.359 -1.340 1.00 72.42 N ATOM 487 CA GLY A 29 6.046 -3.961 -2.710 1.00 43.42 C ATOM 488 C GLY A 29 7.339 -3.777 -3.472 1.00 53.44 C ATOM 489 O GLY A 29 8.105 -4.724 -3.649 1.00 42.55 O ATOM 0 H GLY A 29 6.315 -5.367 -1.190 1.00 72.42 H new ATOM 0 HA2 GLY A 29 5.436 -4.714 -3.210 1.00 43.42 H new ATOM 0 HA3 GLY A 29 5.481 -3.029 -2.728 1.00 43.42 H new ATOM 493 N THR A 30 7.583 -2.559 -3.919 1.00 71.13 N ATOM 494 CA THR A 30 8.763 -2.243 -4.705 1.00 43.43 C ATOM 495 C THR A 30 9.248 -0.839 -4.346 1.00 21.33 C ATOM 496 O THR A 30 8.455 -0.008 -3.914 1.00 70.01 O ATOM 497 CB THR A 30 8.416 -2.306 -6.212 1.00 14.41 C ATOM 498 OG1 THR A 30 7.570 -3.434 -6.465 1.00 2.42 O ATOM 499 CG2 THR A 30 9.656 -2.421 -7.088 1.00 15.34 C ATOM 0 H THR A 30 6.970 -1.762 -3.748 1.00 71.13 H new ATOM 0 HA THR A 30 9.550 -2.966 -4.489 1.00 43.43 H new ATOM 0 HB THR A 30 7.908 -1.375 -6.463 1.00 14.41 H new ATOM 0 HG1 THR A 30 7.351 -3.471 -7.419 1.00 2.42 H new ATOM 0 HG21 THR A 30 9.359 -2.462 -8.136 1.00 15.34 H new ATOM 0 HG22 THR A 30 10.297 -1.555 -6.926 1.00 15.34 H new ATOM 0 HG23 THR A 30 10.201 -3.329 -6.830 1.00 15.34 H new ATOM 507 N PRO A 31 10.552 -0.554 -4.468 1.00 62.23 N ATOM 508 CA PRO A 31 11.075 0.809 -4.292 1.00 44.34 C ATOM 509 C PRO A 31 10.380 1.825 -5.200 1.00 11.14 C ATOM 510 O PRO A 31 10.269 2.998 -4.855 1.00 34.51 O ATOM 511 CB PRO A 31 12.547 0.670 -4.675 1.00 74.41 C ATOM 512 CG PRO A 31 12.869 -0.747 -4.373 1.00 14.44 C ATOM 513 CD PRO A 31 11.635 -1.525 -4.714 1.00 72.05 C ATOM 0 HA PRO A 31 10.914 1.180 -3.280 1.00 44.34 H new ATOM 0 HB2 PRO A 31 12.708 0.899 -5.728 1.00 74.41 H new ATOM 0 HB3 PRO A 31 13.174 1.352 -4.101 1.00 74.41 H new ATOM 0 HG2 PRO A 31 13.722 -1.088 -4.960 1.00 14.44 H new ATOM 0 HG3 PRO A 31 13.134 -0.873 -3.323 1.00 14.44 H new ATOM 0 HD2 PRO A 31 11.645 -1.864 -5.750 1.00 72.05 H new ATOM 0 HD3 PRO A 31 11.532 -2.412 -4.089 1.00 72.05 H new ATOM 521 N GLN A 32 9.909 1.359 -6.357 1.00 13.04 N ATOM 522 CA GLN A 32 9.221 2.223 -7.317 1.00 11.42 C ATOM 523 C GLN A 32 7.771 2.464 -6.889 1.00 13.40 C ATOM 524 O GLN A 32 7.246 3.566 -7.022 1.00 0.11 O ATOM 525 CB GLN A 32 9.263 1.602 -8.716 1.00 52.23 C ATOM 526 CG GLN A 32 8.834 2.557 -9.819 1.00 54.01 C ATOM 527 CD GLN A 32 9.791 3.725 -9.961 1.00 2.41 C ATOM 528 OE1 GLN A 32 9.635 4.757 -9.314 1.00 51.20 O ATOM 529 NE2 GLN A 32 10.781 3.570 -10.829 1.00 71.33 N ATOM 0 H GLN A 32 9.992 0.386 -6.653 1.00 13.04 H new ATOM 0 HA GLN A 32 9.736 3.183 -7.342 1.00 11.42 H new ATOM 0 HB2 GLN A 32 10.276 1.256 -8.920 1.00 52.23 H new ATOM 0 HB3 GLN A 32 8.616 0.725 -8.735 1.00 52.23 H new ATOM 0 HG2 GLN A 32 8.777 2.017 -10.764 1.00 54.01 H new ATOM 0 HG3 GLN A 32 7.833 2.932 -9.605 1.00 54.01 H new ATOM 0 HE21 GLN A 32 10.874 2.696 -11.346 1.00 71.33 H new ATOM 0 HE22 GLN A 32 11.450 4.325 -10.980 1.00 71.33 H new ATOM 538 N ILE A 33 7.127 1.422 -6.385 1.00 21.03 N ATOM 539 CA ILE A 33 5.784 1.542 -5.835 1.00 41.33 C ATOM 540 C ILE A 33 5.740 0.866 -4.464 1.00 5.32 C ATOM 541 O ILE A 33 5.629 -0.357 -4.343 1.00 0.40 O ATOM 542 CB ILE A 33 4.708 0.963 -6.791 1.00 54.43 C ATOM 543 CG1 ILE A 33 3.319 1.034 -6.145 1.00 72.30 C ATOM 544 CG2 ILE A 33 5.048 -0.466 -7.210 1.00 4.35 C ATOM 545 CD1 ILE A 33 2.193 0.628 -7.073 1.00 24.20 C ATOM 0 H ILE A 33 7.515 0.479 -6.345 1.00 21.03 H new ATOM 0 HA ILE A 33 5.548 2.600 -5.720 1.00 41.33 H new ATOM 0 HB ILE A 33 4.696 1.574 -7.694 1.00 54.43 H new ATOM 0 HG12 ILE A 33 3.304 0.389 -5.266 1.00 72.30 H new ATOM 0 HG13 ILE A 33 3.142 2.052 -5.797 1.00 72.30 H new ATOM 0 HG21 ILE A 33 4.275 -0.843 -7.879 1.00 4.35 H new ATOM 0 HG22 ILE A 33 6.009 -0.476 -7.724 1.00 4.35 H new ATOM 0 HG23 ILE A 33 5.103 -1.101 -6.326 1.00 4.35 H new ATOM 0 HD11 ILE A 33 1.242 0.704 -6.546 1.00 24.20 H new ATOM 0 HD12 ILE A 33 2.181 1.288 -7.940 1.00 24.20 H new ATOM 0 HD13 ILE A 33 2.345 -0.400 -7.401 1.00 24.20 H new ATOM 557 N THR A 34 5.879 1.676 -3.430 1.00 3.12 N ATOM 558 CA THR A 34 6.113 1.166 -2.092 1.00 11.40 C ATOM 559 C THR A 34 4.821 1.040 -1.295 1.00 22.21 C ATOM 560 O THR A 34 4.090 2.015 -1.108 1.00 71.21 O ATOM 561 CB THR A 34 7.102 2.077 -1.343 1.00 13.22 C ATOM 562 OG1 THR A 34 8.248 2.320 -2.175 1.00 63.45 O ATOM 563 CG2 THR A 34 7.548 1.442 -0.034 1.00 23.34 C ATOM 0 H THR A 34 5.834 2.693 -3.492 1.00 3.12 H new ATOM 0 HA THR A 34 6.539 0.168 -2.194 1.00 11.40 H new ATOM 0 HB THR A 34 6.601 3.017 -1.113 1.00 13.22 H new ATOM 0 HG1 THR A 34 8.364 1.573 -2.798 1.00 63.45 H new ATOM 0 HG21 THR A 34 8.246 2.107 0.474 1.00 23.34 H new ATOM 0 HG22 THR A 34 6.680 1.273 0.603 1.00 23.34 H new ATOM 0 HG23 THR A 34 8.038 0.490 -0.240 1.00 23.34 H new ATOM 571 N ILE A 35 4.552 -0.167 -0.827 1.00 61.22 N ATOM 572 CA ILE A 35 3.382 -0.431 -0.012 1.00 31.14 C ATOM 573 C ILE A 35 3.763 -0.407 1.460 1.00 24.45 C ATOM 574 O ILE A 35 4.540 -1.245 1.922 1.00 61.23 O ATOM 575 CB ILE A 35 2.756 -1.802 -0.340 1.00 61.44 C ATOM 576 CG1 ILE A 35 2.491 -1.929 -1.840 1.00 40.30 C ATOM 577 CG2 ILE A 35 1.466 -1.997 0.447 1.00 24.52 C ATOM 578 CD1 ILE A 35 1.979 -3.294 -2.248 1.00 34.34 C ATOM 0 H ILE A 35 5.135 -0.986 -1.001 1.00 61.22 H new ATOM 0 HA ILE A 35 2.649 0.346 -0.229 1.00 31.14 H new ATOM 0 HB ILE A 35 3.462 -2.581 -0.050 1.00 61.44 H new ATOM 0 HG12 ILE A 35 1.765 -1.173 -2.138 1.00 40.30 H new ATOM 0 HG13 ILE A 35 3.412 -1.718 -2.383 1.00 40.30 H new ATOM 0 HG21 ILE A 35 1.036 -2.969 0.205 1.00 24.52 H new ATOM 0 HG22 ILE A 35 1.681 -1.951 1.515 1.00 24.52 H new ATOM 0 HG23 ILE A 35 0.758 -1.211 0.185 1.00 24.52 H new ATOM 0 HD11 ILE A 35 1.813 -3.313 -3.325 1.00 34.34 H new ATOM 0 HD12 ILE A 35 2.714 -4.053 -1.981 1.00 34.34 H new ATOM 0 HD13 ILE A 35 1.041 -3.500 -1.732 1.00 34.34 H new ATOM 590 N LEU A 36 3.234 0.559 2.185 1.00 44.11 N ATOM 591 CA LEU A 36 3.471 0.651 3.613 1.00 11.33 C ATOM 592 C LEU A 36 2.272 0.092 4.361 1.00 61.34 C ATOM 593 O LEU A 36 1.222 0.734 4.440 1.00 24.32 O ATOM 594 CB LEU A 36 3.729 2.101 4.026 1.00 54.24 C ATOM 595 CG LEU A 36 4.912 2.777 3.324 1.00 12.15 C ATOM 596 CD1 LEU A 36 5.058 4.216 3.791 1.00 50.32 C ATOM 597 CD2 LEU A 36 6.200 2.002 3.570 1.00 65.50 C ATOM 0 H LEU A 36 2.635 1.294 1.808 1.00 44.11 H new ATOM 0 HA LEU A 36 4.357 0.067 3.864 1.00 11.33 H new ATOM 0 HB2 LEU A 36 2.829 2.684 3.830 1.00 54.24 H new ATOM 0 HB3 LEU A 36 3.900 2.131 5.102 1.00 54.24 H new ATOM 0 HG LEU A 36 4.716 2.781 2.252 1.00 12.15 H new ATOM 0 HD11 LEU A 36 5.903 4.680 3.282 1.00 50.32 H new ATOM 0 HD12 LEU A 36 4.147 4.768 3.559 1.00 50.32 H new ATOM 0 HD13 LEU A 36 5.229 4.234 4.867 1.00 50.32 H new ATOM 0 HD21 LEU A 36 7.027 2.500 3.063 1.00 65.50 H new ATOM 0 HD22 LEU A 36 6.402 1.963 4.640 1.00 65.50 H new ATOM 0 HD23 LEU A 36 6.094 0.988 3.183 1.00 65.50 H new ATOM 609 N GLY A 37 2.422 -1.116 4.881 1.00 12.52 N ATOM 610 CA GLY A 37 1.318 -1.776 5.544 1.00 35.31 C ATOM 611 C GLY A 37 1.575 -2.015 7.013 1.00 34.03 C ATOM 612 O GLY A 37 2.721 -2.192 7.429 1.00 54.02 O ATOM 0 H GLY A 37 3.290 -1.652 4.856 1.00 12.52 H new ATOM 0 HA2 GLY A 37 0.418 -1.171 5.431 1.00 35.31 H new ATOM 0 HA3 GLY A 37 1.124 -2.730 5.054 1.00 35.31 H new ATOM 616 N ARG A 38 0.502 -1.994 7.791 1.00 62.55 N ATOM 617 CA ARG A 38 0.545 -2.292 9.215 1.00 64.11 C ATOM 618 C ARG A 38 -0.839 -2.703 9.692 1.00 24.10 C ATOM 619 O ARG A 38 -1.844 -2.217 9.175 1.00 23.35 O ATOM 620 CB ARG A 38 1.022 -1.079 10.024 1.00 40.11 C ATOM 621 CG ARG A 38 2.526 -1.027 10.247 1.00 4.20 C ATOM 622 CD ARG A 38 3.011 -2.260 10.991 1.00 45.05 C ATOM 623 NE ARG A 38 4.423 -2.170 11.358 1.00 44.23 N ATOM 624 CZ ARG A 38 5.078 -3.124 12.020 1.00 40.23 C ATOM 625 NH1 ARG A 38 4.461 -4.254 12.339 1.00 72.15 N ATOM 626 NH2 ARG A 38 6.352 -2.957 12.347 1.00 52.15 N ATOM 0 H ARG A 38 -0.431 -1.767 7.448 1.00 62.55 H new ATOM 0 HA ARG A 38 1.252 -3.107 9.369 1.00 64.11 H new ATOM 0 HB2 ARG A 38 0.711 -0.169 9.510 1.00 40.11 H new ATOM 0 HB3 ARG A 38 0.523 -1.084 10.993 1.00 40.11 H new ATOM 0 HG2 ARG A 38 3.037 -0.953 9.287 1.00 4.20 H new ATOM 0 HG3 ARG A 38 2.782 -0.132 10.814 1.00 4.20 H new ATOM 0 HD2 ARG A 38 2.412 -2.396 11.892 1.00 45.05 H new ATOM 0 HD3 ARG A 38 2.856 -3.141 10.368 1.00 45.05 H new ATOM 0 HE ARG A 38 4.936 -1.330 11.093 1.00 44.23 H new ATOM 0 HH11 ARG A 38 3.485 -4.393 12.078 1.00 72.15 H new ATOM 0 HH12 ARG A 38 4.963 -4.984 12.845 1.00 72.15 H new ATOM 0 HH21 ARG A 38 6.835 -2.096 12.092 1.00 52.15 H new ATOM 0 HH22 ARG A 38 6.849 -3.690 12.854 1.00 52.15 H new ATOM 640 N LEU A 39 -0.892 -3.606 10.661 1.00 45.22 N ATOM 641 CA LEU A 39 -2.159 -4.006 11.253 1.00 11.13 C ATOM 642 C LEU A 39 -2.747 -2.832 12.031 1.00 32.02 C ATOM 643 O LEU A 39 -2.279 -2.485 13.115 1.00 11.32 O ATOM 644 CB LEU A 39 -2.003 -5.244 12.156 1.00 41.25 C ATOM 645 CG LEU A 39 -1.073 -5.099 13.372 1.00 0.12 C ATOM 646 CD1 LEU A 39 -1.339 -6.211 14.372 1.00 1.22 C ATOM 647 CD2 LEU A 39 0.390 -5.122 12.954 1.00 45.23 C ATOM 0 H LEU A 39 -0.075 -4.074 11.052 1.00 45.22 H new ATOM 0 HA LEU A 39 -2.842 -4.286 10.451 1.00 11.13 H new ATOM 0 HB2 LEU A 39 -2.992 -5.529 12.516 1.00 41.25 H new ATOM 0 HB3 LEU A 39 -1.636 -6.068 11.544 1.00 41.25 H new ATOM 0 HG LEU A 39 -1.281 -4.136 13.838 1.00 0.12 H new ATOM 0 HD11 LEU A 39 -0.674 -6.097 15.228 1.00 1.22 H new ATOM 0 HD12 LEU A 39 -2.375 -6.159 14.707 1.00 1.22 H new ATOM 0 HD13 LEU A 39 -1.159 -7.176 13.899 1.00 1.22 H new ATOM 0 HD21 LEU A 39 1.022 -5.017 13.836 1.00 45.23 H new ATOM 0 HD22 LEU A 39 0.612 -6.067 12.458 1.00 45.23 H new ATOM 0 HD23 LEU A 39 0.585 -4.298 12.268 1.00 45.23 H new ATOM 659 N ASN A 40 -3.758 -2.205 11.455 1.00 42.43 N ATOM 660 CA ASN A 40 -4.293 -0.971 12.005 1.00 11.40 C ATOM 661 C ASN A 40 -5.413 -1.250 13.000 1.00 43.41 C ATOM 662 O ASN A 40 -6.018 -2.323 12.984 1.00 14.30 O ATOM 663 CB ASN A 40 -4.808 -0.076 10.883 1.00 71.30 C ATOM 664 CG ASN A 40 -4.749 1.388 11.259 1.00 62.41 C ATOM 665 OD1 ASN A 40 -5.664 1.923 11.884 1.00 0.12 O ATOM 666 ND2 ASN A 40 -3.668 2.046 10.870 1.00 52.41 N ATOM 0 H ASN A 40 -4.225 -2.529 10.608 1.00 42.43 H new ATOM 0 HA ASN A 40 -3.487 -0.461 12.533 1.00 11.40 H new ATOM 0 HB2 ASN A 40 -4.216 -0.244 9.983 1.00 71.30 H new ATOM 0 HB3 ASN A 40 -5.836 -0.348 10.644 1.00 71.30 H new ATOM 0 HD21 ASN A 40 -3.569 3.038 11.087 1.00 52.41 H new ATOM 0 HD22 ASN A 40 -2.934 1.561 10.354 1.00 52.41 H new ATOM 673 N SER A 41 -5.682 -0.276 13.860 1.00 71.21 N ATOM 674 CA SER A 41 -6.703 -0.417 14.886 1.00 0.51 C ATOM 675 C SER A 41 -8.062 0.050 14.370 1.00 33.24 C ATOM 676 O SER A 41 -9.098 -0.308 14.933 1.00 41.32 O ATOM 677 CB SER A 41 -6.311 0.369 16.140 1.00 32.34 C ATOM 678 OG SER A 41 -7.249 0.170 17.188 1.00 52.31 O ATOM 0 H SER A 41 -5.203 0.625 13.866 1.00 71.21 H new ATOM 0 HA SER A 41 -6.781 -1.473 15.145 1.00 0.51 H new ATOM 0 HB2 SER A 41 -5.320 0.058 16.472 1.00 32.34 H new ATOM 0 HB3 SER A 41 -6.249 1.431 15.902 1.00 32.34 H new ATOM 0 HG SER A 41 -6.972 0.682 17.976 1.00 52.31 H new ATOM 684 N LEU A 42 -8.054 0.854 13.311 1.00 55.31 N ATOM 685 CA LEU A 42 -9.294 1.319 12.705 1.00 25.25 C ATOM 686 C LEU A 42 -9.938 0.160 11.949 1.00 23.21 C ATOM 687 O LEU A 42 -11.027 -0.298 12.305 1.00 51.02 O ATOM 688 CB LEU A 42 -9.018 2.511 11.773 1.00 72.05 C ATOM 689 CG LEU A 42 -10.205 3.452 11.513 1.00 24.35 C ATOM 690 CD1 LEU A 42 -9.723 4.747 10.881 1.00 34.11 C ATOM 691 CD2 LEU A 42 -11.246 2.792 10.620 1.00 14.02 C ATOM 0 H LEU A 42 -7.206 1.195 12.858 1.00 55.31 H new ATOM 0 HA LEU A 42 -9.981 1.662 13.478 1.00 25.25 H new ATOM 0 HB2 LEU A 42 -8.202 3.096 12.196 1.00 72.05 H new ATOM 0 HB3 LEU A 42 -8.670 2.125 10.815 1.00 72.05 H new ATOM 0 HG LEU A 42 -10.672 3.675 12.472 1.00 24.35 H new ATOM 0 HD11 LEU A 42 -10.574 5.404 10.703 1.00 34.11 H new ATOM 0 HD12 LEU A 42 -9.019 5.239 11.552 1.00 34.11 H new ATOM 0 HD13 LEU A 42 -9.229 4.528 9.934 1.00 34.11 H new ATOM 0 HD21 LEU A 42 -12.073 3.482 10.454 1.00 14.02 H new ATOM 0 HD22 LEU A 42 -10.793 2.532 9.663 1.00 14.02 H new ATOM 0 HD23 LEU A 42 -11.619 1.888 11.102 1.00 14.02 H new ATOM 703 N GLY A 43 -9.259 -0.314 10.913 1.00 61.20 N ATOM 704 CA GLY A 43 -9.675 -1.532 10.252 1.00 31.45 C ATOM 705 C GLY A 43 -10.864 -1.339 9.340 1.00 20.51 C ATOM 706 O GLY A 43 -11.818 -2.119 9.379 1.00 2.10 O ATOM 0 H GLY A 43 -8.427 0.125 10.519 1.00 61.20 H new ATOM 0 HA2 GLY A 43 -8.841 -1.926 9.672 1.00 31.45 H new ATOM 0 HA3 GLY A 43 -9.921 -2.281 11.005 1.00 31.45 H new ATOM 710 N HIS A 44 -10.817 -0.305 8.524 1.00 15.03 N ATOM 711 CA HIS A 44 -11.857 -0.074 7.537 1.00 53.24 C ATOM 712 C HIS A 44 -11.199 0.201 6.195 1.00 2.53 C ATOM 713 O HIS A 44 -11.005 1.355 5.828 1.00 55.02 O ATOM 714 CB HIS A 44 -12.765 1.092 7.953 1.00 13.01 C ATOM 715 CG HIS A 44 -13.998 1.235 7.110 1.00 42.13 C ATOM 716 ND1 HIS A 44 -15.238 0.784 7.513 1.00 33.55 N ATOM 717 CD2 HIS A 44 -14.183 1.788 5.886 1.00 34.33 C ATOM 718 CE1 HIS A 44 -16.129 1.051 6.574 1.00 52.24 C ATOM 719 NE2 HIS A 44 -15.516 1.659 5.580 1.00 2.04 N ATOM 0 H HIS A 44 -10.070 0.390 8.524 1.00 15.03 H new ATOM 0 HA HIS A 44 -12.489 -0.959 7.461 1.00 53.24 H new ATOM 0 HB2 HIS A 44 -13.062 0.955 8.993 1.00 13.01 H new ATOM 0 HB3 HIS A 44 -12.194 2.019 7.904 1.00 13.01 H new ATOM 0 HD2 HIS A 44 -13.424 2.244 5.267 1.00 34.33 H new ATOM 0 HE1 HIS A 44 -17.181 0.811 6.615 1.00 52.24 H new ATOM 0 HE2 HIS A 44 -15.960 1.982 4.720 1.00 2.04 H new ATOM 728 N PRO A 45 -10.857 -0.882 5.465 1.00 73.43 N ATOM 729 CA PRO A 45 -10.008 -0.852 4.268 1.00 53.35 C ATOM 730 C PRO A 45 -10.111 0.418 3.426 1.00 4.53 C ATOM 731 O PRO A 45 -11.048 0.595 2.639 1.00 43.23 O ATOM 732 CB PRO A 45 -10.507 -2.057 3.486 1.00 73.02 C ATOM 733 CG PRO A 45 -10.889 -3.049 4.533 1.00 60.14 C ATOM 734 CD PRO A 45 -11.294 -2.261 5.758 1.00 73.24 C ATOM 0 HA PRO A 45 -8.952 -0.872 4.539 1.00 53.35 H new ATOM 0 HB2 PRO A 45 -11.358 -1.797 2.856 1.00 73.02 H new ATOM 0 HB3 PRO A 45 -9.733 -2.452 2.828 1.00 73.02 H new ATOM 0 HG2 PRO A 45 -11.711 -3.677 4.189 1.00 60.14 H new ATOM 0 HG3 PRO A 45 -10.054 -3.712 4.759 1.00 60.14 H new ATOM 0 HD2 PRO A 45 -12.370 -2.310 5.925 1.00 73.24 H new ATOM 0 HD3 PRO A 45 -10.814 -2.648 6.657 1.00 73.24 H new ATOM 742 N ARG A 46 -9.151 1.306 3.627 1.00 34.25 N ATOM 743 CA ARG A 46 -8.984 2.474 2.780 1.00 31.30 C ATOM 744 C ARG A 46 -7.642 2.383 2.071 1.00 4.24 C ATOM 745 O ARG A 46 -6.594 2.461 2.710 1.00 4.03 O ATOM 746 CB ARG A 46 -9.048 3.771 3.599 1.00 31.43 C ATOM 747 CG ARG A 46 -10.368 3.992 4.324 1.00 74.41 C ATOM 748 CD ARG A 46 -11.545 4.045 3.364 1.00 1.23 C ATOM 749 NE ARG A 46 -11.471 5.181 2.444 1.00 41.34 N ATOM 750 CZ ARG A 46 -12.511 5.642 1.746 1.00 75.21 C ATOM 751 NH1 ARG A 46 -13.712 5.100 1.902 1.00 72.31 N ATOM 752 NH2 ARG A 46 -12.358 6.648 0.894 1.00 44.24 N ATOM 0 H ARG A 46 -8.467 1.237 4.381 1.00 34.25 H new ATOM 0 HA ARG A 46 -9.796 2.495 2.053 1.00 31.30 H new ATOM 0 HB2 ARG A 46 -8.241 3.764 4.332 1.00 31.43 H new ATOM 0 HB3 ARG A 46 -8.867 4.616 2.934 1.00 31.43 H new ATOM 0 HG2 ARG A 46 -10.524 3.189 5.045 1.00 74.41 H new ATOM 0 HG3 ARG A 46 -10.319 4.923 4.889 1.00 74.41 H new ATOM 0 HD2 ARG A 46 -11.583 3.119 2.790 1.00 1.23 H new ATOM 0 HD3 ARG A 46 -12.472 4.104 3.934 1.00 1.23 H new ATOM 0 HE ARG A 46 -10.571 5.648 2.330 1.00 41.34 H new ATOM 0 HH11 ARG A 46 -13.842 4.329 2.557 1.00 72.31 H new ATOM 0 HH12 ARG A 46 -14.505 5.455 1.367 1.00 72.31 H new ATOM 0 HH21 ARG A 46 -11.440 7.075 0.769 1.00 44.24 H new ATOM 0 HH22 ARG A 46 -13.158 6.994 0.365 1.00 44.24 H new ATOM 766 N ILE A 47 -7.674 2.183 0.760 1.00 62.12 N ATOM 767 CA ILE A 47 -6.447 2.092 -0.014 1.00 11.21 C ATOM 768 C ILE A 47 -5.763 3.462 -0.082 1.00 14.43 C ATOM 769 O ILE A 47 -6.165 4.347 -0.842 1.00 12.53 O ATOM 770 CB ILE A 47 -6.698 1.517 -1.439 1.00 15.12 C ATOM 771 CG1 ILE A 47 -5.377 1.419 -2.215 1.00 12.22 C ATOM 772 CG2 ILE A 47 -7.729 2.341 -2.208 1.00 34.42 C ATOM 773 CD1 ILE A 47 -5.535 0.924 -3.636 1.00 45.24 C ATOM 0 H ILE A 47 -8.530 2.082 0.215 1.00 62.12 H new ATOM 0 HA ILE A 47 -5.782 1.394 0.494 1.00 11.21 H new ATOM 0 HB ILE A 47 -7.110 0.514 -1.328 1.00 15.12 H new ATOM 0 HG12 ILE A 47 -4.904 2.401 -2.233 1.00 12.22 H new ATOM 0 HG13 ILE A 47 -4.702 0.750 -1.681 1.00 12.22 H new ATOM 0 HG21 ILE A 47 -7.876 1.908 -3.197 1.00 34.42 H new ATOM 0 HG22 ILE A 47 -8.675 2.338 -1.666 1.00 34.42 H new ATOM 0 HG23 ILE A 47 -7.373 3.366 -2.310 1.00 34.42 H new ATOM 0 HD11 ILE A 47 -4.558 0.882 -4.118 1.00 45.24 H new ATOM 0 HD12 ILE A 47 -5.978 -0.072 -3.627 1.00 45.24 H new ATOM 0 HD13 ILE A 47 -6.183 1.604 -4.188 1.00 45.24 H new ATOM 785 N GLY A 48 -4.750 3.641 0.756 1.00 44.02 N ATOM 786 CA GLY A 48 -4.065 4.916 0.840 1.00 11.02 C ATOM 787 C GLY A 48 -3.107 5.147 -0.310 1.00 33.35 C ATOM 788 O GLY A 48 -1.895 5.244 -0.109 1.00 45.34 O ATOM 0 H GLY A 48 -4.389 2.921 1.382 1.00 44.02 H new ATOM 0 HA2 GLY A 48 -4.802 5.718 0.859 1.00 11.02 H new ATOM 0 HA3 GLY A 48 -3.515 4.966 1.780 1.00 11.02 H new ATOM 792 N LEU A 49 -3.645 5.225 -1.516 1.00 61.34 N ATOM 793 CA LEU A 49 -2.835 5.483 -2.695 1.00 42.04 C ATOM 794 C LEU A 49 -2.254 6.889 -2.639 1.00 50.15 C ATOM 795 O LEU A 49 -2.984 7.879 -2.704 1.00 3.34 O ATOM 796 CB LEU A 49 -3.664 5.311 -3.968 1.00 74.20 C ATOM 797 CG LEU A 49 -2.916 5.609 -5.271 1.00 14.30 C ATOM 798 CD1 LEU A 49 -1.809 4.593 -5.504 1.00 61.41 C ATOM 799 CD2 LEU A 49 -3.875 5.633 -6.449 1.00 72.21 C ATOM 0 H LEU A 49 -4.641 5.113 -1.704 1.00 61.34 H new ATOM 0 HA LEU A 49 -2.018 4.762 -2.712 1.00 42.04 H new ATOM 0 HB2 LEU A 49 -4.036 4.287 -4.006 1.00 74.20 H new ATOM 0 HB3 LEU A 49 -4.534 5.965 -3.908 1.00 74.20 H new ATOM 0 HG LEU A 49 -2.460 6.595 -5.180 1.00 14.30 H new ATOM 0 HD11 LEU A 49 -1.292 4.825 -6.435 1.00 61.41 H new ATOM 0 HD12 LEU A 49 -1.101 4.631 -4.676 1.00 61.41 H new ATOM 0 HD13 LEU A 49 -2.240 3.594 -5.568 1.00 61.41 H new ATOM 0 HD21 LEU A 49 -3.322 5.846 -7.364 1.00 72.21 H new ATOM 0 HD22 LEU A 49 -4.365 4.664 -6.539 1.00 72.21 H new ATOM 0 HD23 LEU A 49 -4.627 6.406 -6.291 1.00 72.21 H new ATOM 811 N THR A 50 -0.945 6.970 -2.506 1.00 12.24 N ATOM 812 CA THR A 50 -0.261 8.242 -2.461 1.00 2.05 C ATOM 813 C THR A 50 0.501 8.470 -3.762 1.00 53.32 C ATOM 814 O THR A 50 1.623 7.991 -3.937 1.00 53.10 O ATOM 815 CB THR A 50 0.699 8.308 -1.257 1.00 72.53 C ATOM 816 OG1 THR A 50 -0.025 8.018 -0.050 1.00 31.44 O ATOM 817 CG2 THR A 50 1.344 9.680 -1.144 1.00 22.54 C ATOM 0 H THR A 50 -0.331 6.160 -2.427 1.00 12.24 H new ATOM 0 HA THR A 50 -1.005 9.030 -2.343 1.00 2.05 H new ATOM 0 HB THR A 50 1.487 7.570 -1.406 1.00 72.53 H new ATOM 0 HG1 THR A 50 0.586 8.058 0.715 1.00 31.44 H new ATOM 0 HG21 THR A 50 2.016 9.697 -0.286 1.00 22.54 H new ATOM 0 HG22 THR A 50 1.909 9.892 -2.052 1.00 22.54 H new ATOM 0 HG23 THR A 50 0.570 10.436 -1.013 1.00 22.54 H new ATOM 825 N VAL A 51 -0.140 9.162 -4.690 1.00 61.31 N ATOM 826 CA VAL A 51 0.476 9.471 -5.968 1.00 61.24 C ATOM 827 C VAL A 51 0.922 10.935 -6.003 1.00 42.32 C ATOM 828 O VAL A 51 0.155 11.839 -6.355 1.00 23.42 O ATOM 829 CB VAL A 51 -0.471 9.133 -7.153 1.00 24.13 C ATOM 830 CG1 VAL A 51 -1.842 9.777 -6.979 1.00 62.45 C ATOM 831 CG2 VAL A 51 0.153 9.543 -8.480 1.00 24.00 C ATOM 0 H VAL A 51 -1.089 9.521 -4.581 1.00 61.31 H new ATOM 0 HA VAL A 51 1.361 8.844 -6.081 1.00 61.24 H new ATOM 0 HB VAL A 51 -0.614 8.052 -7.159 1.00 24.13 H new ATOM 0 HG11 VAL A 51 -2.476 9.518 -7.827 1.00 62.45 H new ATOM 0 HG12 VAL A 51 -2.300 9.414 -6.059 1.00 62.45 H new ATOM 0 HG13 VAL A 51 -1.731 10.860 -6.926 1.00 62.45 H new ATOM 0 HG21 VAL A 51 -0.528 9.296 -9.294 1.00 24.00 H new ATOM 0 HG22 VAL A 51 0.341 10.617 -8.477 1.00 24.00 H new ATOM 0 HG23 VAL A 51 1.093 9.010 -8.620 1.00 24.00 H new ATOM 841 N ALA A 52 2.164 11.158 -5.596 1.00 23.44 N ATOM 842 CA ALA A 52 2.724 12.500 -5.510 1.00 62.30 C ATOM 843 C ALA A 52 2.814 13.143 -6.886 1.00 13.41 C ATOM 844 O ALA A 52 3.184 12.493 -7.867 1.00 62.11 O ATOM 845 CB ALA A 52 4.092 12.458 -4.849 1.00 72.53 C ATOM 0 H ALA A 52 2.809 10.418 -5.317 1.00 23.44 H new ATOM 0 HA ALA A 52 2.059 13.109 -4.898 1.00 62.30 H new ATOM 0 HB1 ALA A 52 4.499 13.467 -4.791 1.00 72.53 H new ATOM 0 HB2 ALA A 52 3.998 12.046 -3.844 1.00 72.53 H new ATOM 0 HB3 ALA A 52 4.761 11.830 -5.437 1.00 72.53 H new ATOM 851 N LYS A 53 2.490 14.427 -6.951 1.00 71.24 N ATOM 852 CA LYS A 53 2.444 15.140 -8.219 1.00 75.43 C ATOM 853 C LYS A 53 3.843 15.558 -8.666 1.00 74.41 C ATOM 854 O LYS A 53 4.023 16.081 -9.766 1.00 21.11 O ATOM 855 CB LYS A 53 1.518 16.356 -8.115 1.00 43.12 C ATOM 856 CG LYS A 53 0.112 15.994 -7.661 1.00 70.24 C ATOM 857 CD LYS A 53 -0.856 17.170 -7.721 1.00 31.05 C ATOM 858 CE LYS A 53 -0.443 18.320 -6.812 1.00 21.53 C ATOM 859 NZ LYS A 53 0.413 19.312 -7.518 1.00 30.22 N ATOM 0 H LYS A 53 2.255 14.997 -6.138 1.00 71.24 H new ATOM 0 HA LYS A 53 2.043 14.465 -8.975 1.00 75.43 H new ATOM 0 HB2 LYS A 53 1.947 17.074 -7.415 1.00 43.12 H new ATOM 0 HB3 LYS A 53 1.465 16.850 -9.085 1.00 43.12 H new ATOM 0 HG2 LYS A 53 -0.268 15.186 -8.285 1.00 70.24 H new ATOM 0 HG3 LYS A 53 0.152 15.616 -6.640 1.00 70.24 H new ATOM 0 HD2 LYS A 53 -0.921 17.530 -8.748 1.00 31.05 H new ATOM 0 HD3 LYS A 53 -1.852 16.830 -7.439 1.00 31.05 H new ATOM 0 HE2 LYS A 53 -1.334 18.818 -6.430 1.00 21.53 H new ATOM 0 HE3 LYS A 53 0.096 17.925 -5.950 1.00 21.53 H new ATOM 0 HZ1 LYS A 53 1.246 19.529 -6.934 1.00 30.22 H new ATOM 0 HZ2 LYS A 53 0.722 18.918 -8.429 1.00 30.22 H new ATOM 0 HZ3 LYS A 53 -0.130 20.183 -7.684 1.00 30.22 H new ATOM 873 N LYS A 54 4.832 15.342 -7.804 1.00 74.44 N ATOM 874 CA LYS A 54 6.226 15.531 -8.190 1.00 21.14 C ATOM 875 C LYS A 54 6.750 14.257 -8.835 1.00 2.44 C ATOM 876 O LYS A 54 7.672 14.289 -9.649 1.00 41.40 O ATOM 877 CB LYS A 54 7.103 15.891 -6.981 1.00 71.23 C ATOM 878 CG LYS A 54 7.356 14.723 -6.035 1.00 55.43 C ATOM 879 CD LYS A 54 8.418 15.050 -4.998 1.00 1.34 C ATOM 880 CE LYS A 54 7.946 16.103 -4.015 1.00 10.33 C ATOM 881 NZ LYS A 54 6.746 15.658 -3.260 1.00 4.34 N ATOM 0 H LYS A 54 4.696 15.038 -6.840 1.00 74.44 H new ATOM 0 HA LYS A 54 6.271 16.358 -8.898 1.00 21.14 H new ATOM 0 HB2 LYS A 54 8.060 16.271 -7.338 1.00 71.23 H new ATOM 0 HB3 LYS A 54 6.627 16.699 -6.426 1.00 71.23 H new ATOM 0 HG2 LYS A 54 6.427 14.457 -5.531 1.00 55.43 H new ATOM 0 HG3 LYS A 54 7.667 13.851 -6.610 1.00 55.43 H new ATOM 0 HD2 LYS A 54 8.687 14.143 -4.456 1.00 1.34 H new ATOM 0 HD3 LYS A 54 9.319 15.401 -5.500 1.00 1.34 H new ATOM 0 HE2 LYS A 54 8.750 16.333 -3.316 1.00 10.33 H new ATOM 0 HE3 LYS A 54 7.717 17.024 -4.552 1.00 10.33 H new ATOM 0 HZ1 LYS A 54 6.605 16.277 -2.436 1.00 4.34 H new ATOM 0 HZ2 LYS A 54 5.910 15.706 -3.877 1.00 4.34 H new ATOM 0 HZ3 LYS A 54 6.882 14.679 -2.938 1.00 4.34 H new ATOM 895 N ASN A 55 6.142 13.135 -8.467 1.00 43.02 N ATOM 896 CA ASN A 55 6.562 11.839 -8.973 1.00 41.44 C ATOM 897 C ASN A 55 5.903 11.570 -10.313 1.00 35.42 C ATOM 898 O ASN A 55 6.468 10.906 -11.182 1.00 63.55 O ATOM 899 CB ASN A 55 6.214 10.723 -7.981 1.00 33.02 C ATOM 900 CG ASN A 55 6.981 10.839 -6.674 1.00 31.40 C ATOM 901 OD1 ASN A 55 8.048 11.450 -6.614 1.00 11.44 O ATOM 902 ND2 ASN A 55 6.468 10.212 -5.628 1.00 64.30 N ATOM 0 H ASN A 55 5.355 13.100 -7.819 1.00 43.02 H new ATOM 0 HA ASN A 55 7.644 11.854 -9.101 1.00 41.44 H new ATOM 0 HB2 ASN A 55 5.144 10.748 -7.773 1.00 33.02 H new ATOM 0 HB3 ASN A 55 6.427 9.757 -8.438 1.00 33.02 H new ATOM 0 HD21 ASN A 55 6.959 10.225 -4.734 1.00 64.30 H new ATOM 0 HD22 ASN A 55 5.581 9.716 -5.715 1.00 64.30 H new ATOM 909 N VAL A 56 4.693 12.087 -10.464 1.00 32.23 N ATOM 910 CA VAL A 56 3.984 12.014 -11.727 1.00 63.25 C ATOM 911 C VAL A 56 3.680 13.420 -12.228 1.00 34.21 C ATOM 912 O VAL A 56 2.739 14.065 -11.767 1.00 42.33 O ATOM 913 CB VAL A 56 2.668 11.215 -11.611 1.00 13.24 C ATOM 914 CG1 VAL A 56 2.018 11.045 -12.979 1.00 21.41 C ATOM 915 CG2 VAL A 56 2.915 9.862 -10.959 1.00 71.44 C ATOM 0 H VAL A 56 4.181 12.564 -9.721 1.00 32.23 H new ATOM 0 HA VAL A 56 4.629 11.492 -12.434 1.00 63.25 H new ATOM 0 HB VAL A 56 1.983 11.778 -10.977 1.00 13.24 H new ATOM 0 HG11 VAL A 56 1.092 10.479 -12.874 1.00 21.41 H new ATOM 0 HG12 VAL A 56 1.798 12.025 -13.402 1.00 21.41 H new ATOM 0 HG13 VAL A 56 2.698 10.509 -13.641 1.00 21.41 H new ATOM 0 HG21 VAL A 56 1.975 9.316 -10.887 1.00 71.44 H new ATOM 0 HG22 VAL A 56 3.621 9.291 -11.562 1.00 71.44 H new ATOM 0 HG23 VAL A 56 3.326 10.009 -9.960 1.00 71.44 H new ATOM 925 N ARG A 57 4.498 13.894 -13.162 1.00 52.23 N ATOM 926 CA ARG A 57 4.336 15.234 -13.725 1.00 60.50 C ATOM 927 C ARG A 57 3.185 15.257 -14.728 1.00 11.54 C ATOM 928 O ARG A 57 2.788 16.316 -15.212 1.00 3.41 O ATOM 929 CB ARG A 57 5.624 15.681 -14.427 1.00 44.14 C ATOM 930 CG ARG A 57 6.873 15.628 -13.558 1.00 55.21 C ATOM 931 CD ARG A 57 6.854 16.675 -12.452 1.00 23.11 C ATOM 932 NE ARG A 57 8.129 16.709 -11.730 1.00 41.00 N ATOM 933 CZ ARG A 57 8.474 17.652 -10.849 1.00 73.23 C ATOM 934 NH1 ARG A 57 7.647 18.653 -10.577 1.00 4.21 N ATOM 935 NH2 ARG A 57 9.656 17.592 -10.243 1.00 75.41 N ATOM 0 H ARG A 57 5.283 13.369 -13.548 1.00 52.23 H new ATOM 0 HA ARG A 57 4.115 15.918 -12.906 1.00 60.50 H new ATOM 0 HB2 ARG A 57 5.781 15.053 -15.304 1.00 44.14 H new ATOM 0 HB3 ARG A 57 5.491 16.701 -14.786 1.00 44.14 H new ATOM 0 HG2 ARG A 57 6.962 14.636 -13.115 1.00 55.21 H new ATOM 0 HG3 ARG A 57 7.754 15.779 -14.182 1.00 55.21 H new ATOM 0 HD2 ARG A 57 6.650 17.656 -12.880 1.00 23.11 H new ATOM 0 HD3 ARG A 57 6.045 16.457 -11.755 1.00 23.11 H new ATOM 0 HE ARG A 57 8.799 15.962 -11.913 1.00 41.00 H new ATOM 0 HH11 ARG A 57 6.741 18.706 -11.042 1.00 4.21 H new ATOM 0 HH12 ARG A 57 7.918 19.369 -9.903 1.00 4.21 H new ATOM 0 HH21 ARG A 57 10.298 16.827 -10.451 1.00 75.41 H new ATOM 0 HH22 ARG A 57 9.921 18.311 -9.570 1.00 75.41 H new ATOM 949 N ARG A 58 2.666 14.077 -15.039 1.00 51.20 N ATOM 950 CA ARG A 58 1.602 13.928 -16.024 1.00 10.50 C ATOM 951 C ARG A 58 0.235 14.219 -15.403 1.00 23.22 C ATOM 952 O ARG A 58 0.141 14.574 -14.226 1.00 2.05 O ATOM 953 CB ARG A 58 1.624 12.514 -16.602 1.00 12.11 C ATOM 954 CG ARG A 58 2.869 12.187 -17.411 1.00 55.03 C ATOM 955 CD ARG A 58 2.972 13.047 -18.661 1.00 51.45 C ATOM 956 NE ARG A 58 1.817 12.886 -19.548 1.00 63.22 N ATOM 957 CZ ARG A 58 1.829 13.185 -20.847 1.00 55.32 C ATOM 958 NH1 ARG A 58 2.949 13.610 -21.426 1.00 51.10 N ATOM 959 NH2 ARG A 58 0.723 13.059 -21.568 1.00 25.12 N ATOM 0 H ARG A 58 2.969 13.199 -14.618 1.00 51.20 H new ATOM 0 HA ARG A 58 1.772 14.648 -16.824 1.00 10.50 H new ATOM 0 HB2 ARG A 58 1.538 11.799 -15.784 1.00 12.11 H new ATOM 0 HB3 ARG A 58 0.748 12.380 -17.236 1.00 12.11 H new ATOM 0 HG2 ARG A 58 3.754 12.337 -16.793 1.00 55.03 H new ATOM 0 HG3 ARG A 58 2.853 11.135 -17.694 1.00 55.03 H new ATOM 0 HD2 ARG A 58 3.061 14.094 -18.372 1.00 51.45 H new ATOM 0 HD3 ARG A 58 3.881 12.788 -19.203 1.00 51.45 H new ATOM 0 HE ARG A 58 0.952 12.523 -19.148 1.00 63.22 H new ATOM 0 HH11 ARG A 58 3.802 13.708 -20.876 1.00 51.10 H new ATOM 0 HH12 ARG A 58 2.954 13.838 -22.420 1.00 51.10 H new ATOM 0 HH21 ARG A 58 -0.138 12.733 -21.129 1.00 25.12 H new ATOM 0 HH22 ARG A 58 0.733 13.288 -22.562 1.00 25.12 H new ATOM 973 N ALA A 59 -0.819 14.056 -16.193 1.00 21.22 N ATOM 974 CA ALA A 59 -2.172 14.327 -15.722 1.00 40.10 C ATOM 975 C ALA A 59 -3.023 13.064 -15.736 1.00 53.14 C ATOM 976 O ALA A 59 -3.250 12.450 -14.697 1.00 13.44 O ATOM 977 CB ALA A 59 -2.822 15.416 -16.564 1.00 61.42 C ATOM 0 H ALA A 59 -0.764 13.738 -17.161 1.00 21.22 H new ATOM 0 HA ALA A 59 -2.105 14.676 -14.692 1.00 40.10 H new ATOM 0 HB1 ALA A 59 -3.831 15.605 -16.198 1.00 61.42 H new ATOM 0 HB2 ALA A 59 -2.233 16.331 -16.494 1.00 61.42 H new ATOM 0 HB3 ALA A 59 -2.868 15.093 -17.604 1.00 61.42 H new ATOM 983 N HIS A 60 -3.470 12.662 -16.926 1.00 13.20 N ATOM 984 CA HIS A 60 -4.331 11.488 -17.073 1.00 51.32 C ATOM 985 C HIS A 60 -3.590 10.222 -16.655 1.00 14.03 C ATOM 986 O HIS A 60 -4.199 9.228 -16.260 1.00 13.23 O ATOM 987 CB HIS A 60 -4.823 11.359 -18.524 1.00 42.22 C ATOM 988 CG HIS A 60 -5.674 10.147 -18.774 1.00 0.00 C ATOM 989 ND1 HIS A 60 -5.427 9.252 -19.791 1.00 55.34 N ATOM 990 CD2 HIS A 60 -6.769 9.682 -18.125 1.00 42.22 C ATOM 991 CE1 HIS A 60 -6.329 8.288 -19.757 1.00 24.21 C ATOM 992 NE2 HIS A 60 -7.154 8.527 -18.757 1.00 4.14 N ATOM 0 H HIS A 60 -3.250 13.133 -17.804 1.00 13.20 H new ATOM 0 HA HIS A 60 -5.195 11.616 -16.421 1.00 51.32 H new ATOM 0 HB2 HIS A 60 -5.393 12.251 -18.784 1.00 42.22 H new ATOM 0 HB3 HIS A 60 -3.959 11.328 -19.188 1.00 42.22 H new ATOM 0 HD2 HIS A 60 -7.249 10.136 -17.270 1.00 42.22 H new ATOM 0 HE1 HIS A 60 -6.382 7.447 -20.433 1.00 24.21 H new ATOM 0 HE2 HIS A 60 -7.951 7.946 -18.495 1.00 4.14 H new ATOM 1001 N GLU A 61 -2.273 10.277 -16.735 1.00 43.02 N ATOM 1002 CA GLU A 61 -1.427 9.147 -16.393 1.00 24.03 C ATOM 1003 C GLU A 61 -1.514 8.830 -14.897 1.00 0.43 C ATOM 1004 O GLU A 61 -1.197 7.721 -14.469 1.00 13.43 O ATOM 1005 CB GLU A 61 0.022 9.429 -16.803 1.00 53.15 C ATOM 1006 CG GLU A 61 0.239 9.525 -18.316 1.00 1.54 C ATOM 1007 CD GLU A 61 -0.575 10.625 -18.981 1.00 23.50 C ATOM 1008 OE1 GLU A 61 -0.479 11.797 -18.549 1.00 12.31 O ATOM 1009 OE2 GLU A 61 -1.327 10.319 -19.926 1.00 24.31 O ATOM 0 H GLU A 61 -1.760 11.105 -17.038 1.00 43.02 H new ATOM 0 HA GLU A 61 -1.781 8.274 -16.941 1.00 24.03 H new ATOM 0 HB2 GLU A 61 0.343 10.363 -16.341 1.00 53.15 H new ATOM 0 HB3 GLU A 61 0.660 8.640 -16.405 1.00 53.15 H new ATOM 0 HG2 GLU A 61 1.297 9.699 -18.512 1.00 1.54 H new ATOM 0 HG3 GLU A 61 -0.017 8.569 -18.772 1.00 1.54 H new ATOM 1016 N ARG A 62 -1.967 9.803 -14.108 1.00 22.22 N ATOM 1017 CA ARG A 62 -2.148 9.599 -12.673 1.00 15.52 C ATOM 1018 C ARG A 62 -3.376 8.729 -12.428 1.00 51.03 C ATOM 1019 O ARG A 62 -3.414 7.930 -11.492 1.00 4.22 O ATOM 1020 CB ARG A 62 -2.302 10.940 -11.949 1.00 34.42 C ATOM 1021 CG ARG A 62 -1.137 11.890 -12.167 1.00 32.40 C ATOM 1022 CD ARG A 62 -1.306 13.178 -11.378 1.00 43.41 C ATOM 1023 NE ARG A 62 -1.256 12.950 -9.932 1.00 53.11 N ATOM 1024 CZ ARG A 62 -2.112 13.493 -9.070 1.00 14.14 C ATOM 1025 NH1 ARG A 62 -3.101 14.260 -9.506 1.00 70.14 N ATOM 1026 NH2 ARG A 62 -1.975 13.278 -7.768 1.00 74.11 N ATOM 0 H ARG A 62 -2.214 10.736 -14.437 1.00 22.22 H new ATOM 0 HA ARG A 62 -1.265 9.097 -12.279 1.00 15.52 H new ATOM 0 HB2 ARG A 62 -3.220 11.422 -12.286 1.00 34.42 H new ATOM 0 HB3 ARG A 62 -2.413 10.755 -10.881 1.00 34.42 H new ATOM 0 HG2 ARG A 62 -0.209 11.401 -11.871 1.00 32.40 H new ATOM 0 HG3 ARG A 62 -1.051 12.122 -13.228 1.00 32.40 H new ATOM 0 HD2 ARG A 62 -0.523 13.881 -11.661 1.00 43.41 H new ATOM 0 HD3 ARG A 62 -2.258 13.640 -11.639 1.00 43.41 H new ATOM 0 HE ARG A 62 -0.524 12.341 -9.565 1.00 53.11 H new ATOM 0 HH11 ARG A 62 -3.208 14.436 -10.505 1.00 70.14 H new ATOM 0 HH12 ARG A 62 -3.755 14.675 -8.842 1.00 70.14 H new ATOM 0 HH21 ARG A 62 -1.212 12.695 -7.425 1.00 74.11 H new ATOM 0 HH22 ARG A 62 -2.633 13.696 -7.110 1.00 74.11 H new ATOM 1040 N ASN A 63 -4.371 8.881 -13.294 1.00 55.31 N ATOM 1041 CA ASN A 63 -5.588 8.087 -13.221 1.00 62.12 C ATOM 1042 C ASN A 63 -5.283 6.637 -13.571 1.00 1.41 C ATOM 1043 O ASN A 63 -5.890 5.720 -13.029 1.00 20.12 O ATOM 1044 CB ASN A 63 -6.650 8.647 -14.172 1.00 20.12 C ATOM 1045 CG ASN A 63 -6.953 10.109 -13.903 1.00 65.34 C ATOM 1046 OD1 ASN A 63 -6.305 11.000 -14.451 1.00 12.41 O ATOM 1047 ND2 ASN A 63 -7.945 10.364 -13.063 1.00 62.24 N ATOM 0 H ASN A 63 -4.356 9.554 -14.061 1.00 55.31 H new ATOM 0 HA ASN A 63 -5.976 8.133 -12.203 1.00 62.12 H new ATOM 0 HB2 ASN A 63 -6.309 8.533 -15.201 1.00 20.12 H new ATOM 0 HB3 ASN A 63 -7.566 8.065 -14.073 1.00 20.12 H new ATOM 0 HD21 ASN A 63 -8.197 11.329 -12.849 1.00 62.24 H new ATOM 0 HD22 ASN A 63 -8.457 9.595 -12.630 1.00 62.24 H new ATOM 1054 N ARG A 64 -4.320 6.447 -14.467 1.00 31.12 N ATOM 1055 CA ARG A 64 -3.871 5.113 -14.863 1.00 72.32 C ATOM 1056 C ARG A 64 -3.379 4.332 -13.644 1.00 31.25 C ATOM 1057 O ARG A 64 -3.729 3.165 -13.457 1.00 61.12 O ATOM 1058 CB ARG A 64 -2.755 5.243 -15.908 1.00 1.05 C ATOM 1059 CG ARG A 64 -2.122 3.927 -16.344 1.00 3.44 C ATOM 1060 CD ARG A 64 -3.113 3.010 -17.046 1.00 14.10 C ATOM 1061 NE ARG A 64 -2.440 1.892 -17.706 1.00 64.01 N ATOM 1062 CZ ARG A 64 -2.832 0.621 -17.624 1.00 5.23 C ATOM 1063 NH1 ARG A 64 -3.916 0.287 -16.935 1.00 74.24 N ATOM 1064 NH2 ARG A 64 -2.146 -0.323 -18.253 1.00 51.05 N ATOM 0 H ARG A 64 -3.830 7.208 -14.938 1.00 31.12 H new ATOM 0 HA ARG A 64 -4.707 4.565 -15.299 1.00 72.32 H new ATOM 0 HB2 ARG A 64 -3.159 5.743 -16.788 1.00 1.05 H new ATOM 0 HB3 ARG A 64 -1.974 5.888 -15.505 1.00 1.05 H new ATOM 0 HG2 ARG A 64 -1.286 4.133 -17.012 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -1.714 3.417 -15.471 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -3.831 2.626 -16.321 1.00 14.10 H new ATOM 0 HD3 ARG A 64 -3.678 3.581 -17.783 1.00 14.10 H new ATOM 0 HE ARG A 64 -1.614 2.099 -18.268 1.00 64.01 H new ATOM 0 HH11 ARG A 64 -4.460 1.007 -16.460 1.00 74.24 H new ATOM 0 HH12 ARG A 64 -4.205 -0.690 -16.880 1.00 74.24 H new ATOM 0 HH21 ARG A 64 -1.320 -0.076 -18.798 1.00 51.05 H new ATOM 0 HH22 ARG A 64 -2.444 -1.297 -18.192 1.00 51.05 H new ATOM 1078 N ILE A 65 -2.585 4.993 -12.811 1.00 61.35 N ATOM 1079 CA ILE A 65 -2.070 4.385 -11.587 1.00 42.33 C ATOM 1080 C ILE A 65 -3.209 4.134 -10.599 1.00 34.23 C ATOM 1081 O ILE A 65 -3.261 3.095 -9.932 1.00 25.20 O ATOM 1082 CB ILE A 65 -1.006 5.286 -10.915 1.00 4.11 C ATOM 1083 CG1 ILE A 65 0.120 5.624 -11.902 1.00 54.11 C ATOM 1084 CG2 ILE A 65 -0.437 4.613 -9.670 1.00 30.12 C ATOM 1085 CD1 ILE A 65 0.883 4.415 -12.408 1.00 33.01 C ATOM 0 H ILE A 65 -2.281 5.955 -12.961 1.00 61.35 H new ATOM 0 HA ILE A 65 -1.605 3.439 -11.862 1.00 42.33 H new ATOM 0 HB ILE A 65 -1.491 6.215 -10.613 1.00 4.11 H new ATOM 0 HG12 ILE A 65 -0.305 6.155 -12.754 1.00 54.11 H new ATOM 0 HG13 ILE A 65 0.820 6.306 -11.419 1.00 54.11 H new ATOM 0 HG21 ILE A 65 0.309 5.264 -9.213 1.00 30.12 H new ATOM 0 HG22 ILE A 65 -1.241 4.427 -8.958 1.00 30.12 H new ATOM 0 HG23 ILE A 65 0.028 3.667 -9.948 1.00 30.12 H new ATOM 0 HD11 ILE A 65 1.661 4.739 -13.100 1.00 33.01 H new ATOM 0 HD12 ILE A 65 1.340 3.895 -11.566 1.00 33.01 H new ATOM 0 HD13 ILE A 65 0.198 3.741 -12.922 1.00 33.01 H new ATOM 1097 N LYS A 66 -4.127 5.089 -10.527 1.00 30.41 N ATOM 1098 CA LYS A 66 -5.252 5.013 -9.607 1.00 41.42 C ATOM 1099 C LYS A 66 -6.175 3.845 -9.950 1.00 41.14 C ATOM 1100 O LYS A 66 -6.616 3.115 -9.064 1.00 43.41 O ATOM 1101 CB LYS A 66 -6.023 6.340 -9.612 1.00 62.14 C ATOM 1102 CG LYS A 66 -7.290 6.320 -8.775 1.00 30.32 C ATOM 1103 CD LYS A 66 -7.882 7.711 -8.608 1.00 11.41 C ATOM 1104 CE LYS A 66 -6.937 8.625 -7.846 1.00 71.32 C ATOM 1105 NZ LYS A 66 -7.514 9.976 -7.629 1.00 15.45 N ATOM 0 H LYS A 66 -4.113 5.932 -11.101 1.00 30.41 H new ATOM 0 HA LYS A 66 -4.863 4.835 -8.604 1.00 41.42 H new ATOM 0 HB2 LYS A 66 -5.369 7.130 -9.244 1.00 62.14 H new ATOM 0 HB3 LYS A 66 -6.282 6.594 -10.640 1.00 62.14 H new ATOM 0 HG2 LYS A 66 -8.025 5.667 -9.245 1.00 30.32 H new ATOM 0 HG3 LYS A 66 -7.070 5.899 -7.794 1.00 30.32 H new ATOM 0 HD2 LYS A 66 -8.094 8.139 -9.588 1.00 11.41 H new ATOM 0 HD3 LYS A 66 -8.832 7.643 -8.078 1.00 11.41 H new ATOM 0 HE2 LYS A 66 -6.698 8.175 -6.882 1.00 71.32 H new ATOM 0 HE3 LYS A 66 -6.001 8.716 -8.396 1.00 71.32 H new ATOM 0 HZ1 LYS A 66 -6.834 10.564 -7.106 1.00 15.45 H new ATOM 0 HZ2 LYS A 66 -7.718 10.418 -8.548 1.00 15.45 H new ATOM 0 HZ3 LYS A 66 -8.394 9.894 -7.081 1.00 15.45 H new ATOM 1119 N ARG A 67 -6.449 3.661 -11.237 1.00 13.10 N ATOM 1120 CA ARG A 67 -7.330 2.587 -11.683 1.00 55.31 C ATOM 1121 C ARG A 67 -6.682 1.223 -11.456 1.00 11.11 C ATOM 1122 O ARG A 67 -7.357 0.256 -11.105 1.00 75.23 O ATOM 1123 CB ARG A 67 -7.678 2.757 -13.165 1.00 4.13 C ATOM 1124 CG ARG A 67 -8.410 4.050 -13.482 1.00 71.44 C ATOM 1125 CD ARG A 67 -8.732 4.156 -14.965 1.00 44.25 C ATOM 1126 NE ARG A 67 -9.696 3.139 -15.394 1.00 2.45 N ATOM 1127 CZ ARG A 67 -9.832 2.713 -16.652 1.00 12.41 C ATOM 1128 NH1 ARG A 67 -9.029 3.173 -17.607 1.00 25.14 N ATOM 1129 NH2 ARG A 67 -10.766 1.817 -16.947 1.00 53.00 N ATOM 0 H ARG A 67 -6.075 4.240 -11.989 1.00 13.10 H new ATOM 0 HA ARG A 67 -8.247 2.640 -11.096 1.00 55.31 H new ATOM 0 HB2 ARG A 67 -6.759 2.718 -13.750 1.00 4.13 H new ATOM 0 HB3 ARG A 67 -8.294 1.915 -13.482 1.00 4.13 H new ATOM 0 HG2 ARG A 67 -9.332 4.099 -12.903 1.00 71.44 H new ATOM 0 HG3 ARG A 67 -7.798 4.900 -13.179 1.00 71.44 H new ATOM 0 HD2 ARG A 67 -9.132 5.147 -15.179 1.00 44.25 H new ATOM 0 HD3 ARG A 67 -7.814 4.051 -15.543 1.00 44.25 H new ATOM 0 HE ARG A 67 -10.303 2.729 -14.684 1.00 2.45 H new ATOM 0 HH11 ARG A 67 -8.305 3.855 -17.380 1.00 25.14 H new ATOM 0 HH12 ARG A 67 -9.137 2.844 -18.566 1.00 25.14 H new ATOM 0 HH21 ARG A 67 -11.377 1.457 -16.214 1.00 53.00 H new ATOM 0 HH22 ARG A 67 -10.873 1.489 -17.907 1.00 53.00 H new ATOM 1143 N LEU A 68 -5.370 1.164 -11.644 1.00 32.31 N ATOM 1144 CA LEU A 68 -4.630 -0.086 -11.525 1.00 44.12 C ATOM 1145 C LEU A 68 -4.622 -0.572 -10.075 1.00 2.15 C ATOM 1146 O LEU A 68 -4.921 -1.736 -9.797 1.00 15.01 O ATOM 1147 CB LEU A 68 -3.198 0.127 -12.046 1.00 44.31 C ATOM 1148 CG LEU A 68 -2.382 -1.137 -12.381 1.00 62.41 C ATOM 1149 CD1 LEU A 68 -1.913 -1.851 -11.122 1.00 13.13 C ATOM 1150 CD2 LEU A 68 -3.193 -2.082 -13.259 1.00 45.12 C ATOM 0 H LEU A 68 -4.794 1.972 -11.881 1.00 32.31 H new ATOM 0 HA LEU A 68 -5.116 -0.856 -12.124 1.00 44.12 H new ATOM 0 HB2 LEU A 68 -3.252 0.744 -12.943 1.00 44.31 H new ATOM 0 HB3 LEU A 68 -2.647 0.698 -11.299 1.00 44.31 H new ATOM 0 HG LEU A 68 -1.496 -0.820 -12.932 1.00 62.41 H new ATOM 0 HD11 LEU A 68 -1.341 -2.737 -11.398 1.00 13.13 H new ATOM 0 HD12 LEU A 68 -1.284 -1.181 -10.537 1.00 13.13 H new ATOM 0 HD13 LEU A 68 -2.778 -2.147 -10.528 1.00 13.13 H new ATOM 0 HD21 LEU A 68 -2.600 -2.968 -13.485 1.00 45.12 H new ATOM 0 HD22 LEU A 68 -4.101 -2.377 -12.734 1.00 45.12 H new ATOM 0 HD23 LEU A 68 -3.459 -1.577 -14.188 1.00 45.12 H new ATOM 1162 N THR A 69 -4.304 0.334 -9.158 1.00 10.22 N ATOM 1163 CA THR A 69 -4.135 -0.017 -7.754 1.00 22.43 C ATOM 1164 C THR A 69 -5.469 -0.295 -7.060 1.00 71.33 C ATOM 1165 O THR A 69 -5.564 -1.194 -6.224 1.00 33.41 O ATOM 1166 CB THR A 69 -3.388 1.097 -6.998 1.00 0.13 C ATOM 1167 OG1 THR A 69 -3.935 2.376 -7.350 1.00 32.21 O ATOM 1168 CG2 THR A 69 -1.901 1.069 -7.317 1.00 23.44 C ATOM 0 H THR A 69 -4.157 1.322 -9.364 1.00 10.22 H new ATOM 0 HA THR A 69 -3.546 -0.934 -7.732 1.00 22.43 H new ATOM 0 HB THR A 69 -3.514 0.928 -5.929 1.00 0.13 H new ATOM 0 HG1 THR A 69 -3.562 2.666 -8.209 1.00 32.21 H new ATOM 0 HG21 THR A 69 -1.397 1.866 -6.770 1.00 23.44 H new ATOM 0 HG22 THR A 69 -1.484 0.106 -7.022 1.00 23.44 H new ATOM 0 HG23 THR A 69 -1.756 1.215 -8.387 1.00 23.44 H new ATOM 1176 N ARG A 70 -6.505 0.456 -7.429 1.00 2.54 N ATOM 1177 CA ARG A 70 -7.813 0.339 -6.778 1.00 34.12 C ATOM 1178 C ARG A 70 -8.497 -0.979 -7.140 1.00 2.13 C ATOM 1179 O ARG A 70 -9.580 -1.284 -6.640 1.00 23.12 O ATOM 1180 CB ARG A 70 -8.721 1.510 -7.181 1.00 3.25 C ATOM 1181 CG ARG A 70 -9.299 1.386 -8.585 1.00 62.25 C ATOM 1182 CD ARG A 70 -10.036 2.646 -9.016 1.00 23.14 C ATOM 1183 NE ARG A 70 -11.028 3.083 -8.031 1.00 11.34 N ATOM 1184 CZ ARG A 70 -12.250 3.525 -8.344 1.00 41.51 C ATOM 1185 NH1 ARG A 70 -12.686 3.465 -9.601 1.00 72.41 N ATOM 1186 NH2 ARG A 70 -13.048 3.998 -7.391 1.00 2.12 N ATOM 0 H ARG A 70 -6.467 1.152 -8.174 1.00 2.54 H new ATOM 0 HA ARG A 70 -7.646 0.362 -5.701 1.00 34.12 H new ATOM 0 HB2 ARG A 70 -9.541 1.585 -6.466 1.00 3.25 H new ATOM 0 HB3 ARG A 70 -8.153 2.438 -7.113 1.00 3.25 H new ATOM 0 HG2 ARG A 70 -8.494 1.178 -9.290 1.00 62.25 H new ATOM 0 HG3 ARG A 70 -9.982 0.537 -8.621 1.00 62.25 H new ATOM 0 HD2 ARG A 70 -9.315 3.447 -9.179 1.00 23.14 H new ATOM 0 HD3 ARG A 70 -10.532 2.464 -9.970 1.00 23.14 H new ATOM 0 HE ARG A 70 -10.770 3.048 -7.045 1.00 11.34 H new ATOM 0 HH11 ARG A 70 -12.086 3.080 -10.331 1.00 72.41 H new ATOM 0 HH12 ARG A 70 -13.620 3.804 -9.834 1.00 72.41 H new ATOM 0 HH21 ARG A 70 -12.727 4.023 -6.423 1.00 2.12 H new ATOM 0 HH22 ARG A 70 -13.981 4.336 -7.628 1.00 2.12 H new ATOM 1200 N GLU A 71 -7.860 -1.747 -8.009 1.00 52.22 N ATOM 1201 CA GLU A 71 -8.438 -2.976 -8.514 1.00 21.30 C ATOM 1202 C GLU A 71 -7.878 -4.188 -7.772 1.00 70.33 C ATOM 1203 O GLU A 71 -8.601 -4.886 -7.059 1.00 62.11 O ATOM 1204 CB GLU A 71 -8.135 -3.102 -10.009 1.00 5.21 C ATOM 1205 CG GLU A 71 -9.102 -3.995 -10.758 1.00 62.31 C ATOM 1206 CD GLU A 71 -10.448 -3.337 -10.967 1.00 34.22 C ATOM 1207 OE1 GLU A 71 -10.535 -2.414 -11.808 1.00 41.21 O ATOM 1208 OE2 GLU A 71 -11.426 -3.742 -10.306 1.00 3.35 O ATOM 0 H GLU A 71 -6.934 -1.536 -8.381 1.00 52.22 H new ATOM 0 HA GLU A 71 -9.516 -2.945 -8.355 1.00 21.30 H new ATOM 0 HB2 GLU A 71 -8.151 -2.109 -10.458 1.00 5.21 H new ATOM 0 HB3 GLU A 71 -7.125 -3.492 -10.133 1.00 5.21 H new ATOM 0 HG2 GLU A 71 -8.675 -4.258 -11.726 1.00 62.31 H new ATOM 0 HG3 GLU A 71 -9.237 -4.925 -10.205 1.00 62.31 H new ATOM 1215 N SER A 72 -6.577 -4.409 -7.921 1.00 3.33 N ATOM 1216 CA SER A 72 -5.925 -5.620 -7.431 1.00 44.30 C ATOM 1217 C SER A 72 -6.051 -5.790 -5.914 1.00 54.21 C ATOM 1218 O SER A 72 -6.276 -6.902 -5.426 1.00 14.21 O ATOM 1219 CB SER A 72 -4.454 -5.597 -7.844 1.00 2.13 C ATOM 1220 OG SER A 72 -3.886 -4.315 -7.619 1.00 61.15 O ATOM 0 H SER A 72 -5.945 -3.756 -8.384 1.00 3.33 H new ATOM 0 HA SER A 72 -6.431 -6.475 -7.879 1.00 44.30 H new ATOM 0 HB2 SER A 72 -3.902 -6.348 -7.280 1.00 2.13 H new ATOM 0 HB3 SER A 72 -4.364 -5.860 -8.898 1.00 2.13 H new ATOM 0 HG SER A 72 -2.944 -4.323 -7.888 1.00 61.15 H new ATOM 1226 N PHE A 73 -5.910 -4.696 -5.175 1.00 30.21 N ATOM 1227 CA PHE A 73 -5.971 -4.746 -3.716 1.00 54.41 C ATOM 1228 C PHE A 73 -7.397 -4.983 -3.225 1.00 62.04 C ATOM 1229 O PHE A 73 -7.615 -5.664 -2.225 1.00 2.13 O ATOM 1230 CB PHE A 73 -5.421 -3.452 -3.111 1.00 5.04 C ATOM 1231 CG PHE A 73 -3.949 -3.262 -3.332 1.00 13.43 C ATOM 1232 CD1 PHE A 73 -3.028 -3.920 -2.535 1.00 35.24 C ATOM 1233 CD2 PHE A 73 -3.487 -2.426 -4.333 1.00 24.24 C ATOM 1234 CE1 PHE A 73 -1.673 -3.747 -2.734 1.00 12.31 C ATOM 1235 CE2 PHE A 73 -2.135 -2.249 -4.537 1.00 33.15 C ATOM 1236 CZ PHE A 73 -1.225 -2.910 -3.736 1.00 5.52 C ATOM 0 H PHE A 73 -5.753 -3.764 -5.559 1.00 30.21 H new ATOM 0 HA PHE A 73 -5.355 -5.584 -3.390 1.00 54.41 H new ATOM 0 HB2 PHE A 73 -5.956 -2.605 -3.539 1.00 5.04 H new ATOM 0 HB3 PHE A 73 -5.622 -3.448 -2.040 1.00 5.04 H new ATOM 0 HD1 PHE A 73 -3.373 -4.576 -1.749 1.00 35.24 H new ATOM 0 HD2 PHE A 73 -4.194 -1.906 -4.962 1.00 24.24 H new ATOM 0 HE1 PHE A 73 -0.964 -4.266 -2.106 1.00 12.31 H new ATOM 0 HE2 PHE A 73 -1.788 -1.594 -5.323 1.00 33.15 H new ATOM 0 HZ PHE A 73 -0.165 -2.772 -3.893 1.00 5.52 H new ATOM 1246 N ARG A 74 -8.358 -4.443 -3.955 1.00 43.50 N ATOM 1247 CA ARG A 74 -9.755 -4.467 -3.537 1.00 4.12 C ATOM 1248 C ARG A 74 -10.434 -5.797 -3.886 1.00 60.23 C ATOM 1249 O ARG A 74 -11.374 -6.219 -3.211 1.00 74.41 O ATOM 1250 CB ARG A 74 -10.485 -3.271 -4.169 1.00 4.32 C ATOM 1251 CG ARG A 74 -12.001 -3.386 -4.210 1.00 15.20 C ATOM 1252 CD ARG A 74 -12.482 -3.645 -5.629 1.00 32.21 C ATOM 1253 NE ARG A 74 -13.930 -3.802 -5.720 1.00 63.42 N ATOM 1254 CZ ARG A 74 -14.608 -3.796 -6.869 1.00 61.24 C ATOM 1255 NH1 ARG A 74 -13.974 -3.615 -8.026 1.00 61.31 N ATOM 1256 NH2 ARG A 74 -15.923 -3.971 -6.857 1.00 52.35 N ATOM 0 H ARG A 74 -8.197 -3.978 -4.848 1.00 43.50 H new ATOM 0 HA ARG A 74 -9.802 -4.382 -2.451 1.00 4.12 H new ATOM 0 HB2 ARG A 74 -10.220 -2.370 -3.616 1.00 4.32 H new ATOM 0 HB3 ARG A 74 -10.119 -3.139 -5.187 1.00 4.32 H new ATOM 0 HG2 ARG A 74 -12.327 -4.195 -3.557 1.00 15.20 H new ATOM 0 HG3 ARG A 74 -12.451 -2.469 -3.830 1.00 15.20 H new ATOM 0 HD2 ARG A 74 -12.171 -2.819 -6.269 1.00 32.21 H new ATOM 0 HD3 ARG A 74 -12.000 -4.544 -6.012 1.00 32.21 H new ATOM 0 HE ARG A 74 -14.455 -3.924 -4.854 1.00 63.42 H new ATOM 0 HH11 ARG A 74 -12.963 -3.480 -8.038 1.00 61.31 H new ATOM 0 HH12 ARG A 74 -14.499 -3.612 -8.900 1.00 61.31 H new ATOM 0 HH21 ARG A 74 -16.411 -4.109 -5.972 1.00 52.35 H new ATOM 0 HH22 ARG A 74 -16.446 -3.967 -7.733 1.00 52.35 H new ATOM 1270 N LEU A 75 -9.940 -6.472 -4.918 1.00 31.33 N ATOM 1271 CA LEU A 75 -10.556 -7.722 -5.377 1.00 12.11 C ATOM 1272 C LEU A 75 -10.153 -8.922 -4.521 1.00 24.30 C ATOM 1273 O LEU A 75 -10.543 -10.053 -4.817 1.00 34.32 O ATOM 1274 CB LEU A 75 -10.206 -8.001 -6.842 1.00 53.22 C ATOM 1275 CG LEU A 75 -11.258 -7.561 -7.868 1.00 32.21 C ATOM 1276 CD1 LEU A 75 -12.592 -8.245 -7.604 1.00 22.33 C ATOM 1277 CD2 LEU A 75 -11.429 -6.053 -7.859 1.00 11.04 C ATOM 0 H LEU A 75 -9.121 -6.182 -5.452 1.00 31.33 H new ATOM 0 HA LEU A 75 -11.633 -7.586 -5.279 1.00 12.11 H new ATOM 0 HB2 LEU A 75 -9.266 -7.501 -7.074 1.00 53.22 H new ATOM 0 HB3 LEU A 75 -10.035 -9.071 -6.959 1.00 53.22 H new ATOM 0 HG LEU A 75 -10.905 -7.861 -8.855 1.00 32.21 H new ATOM 0 HD11 LEU A 75 -13.322 -7.917 -8.344 1.00 22.33 H new ATOM 0 HD12 LEU A 75 -12.467 -9.326 -7.672 1.00 22.33 H new ATOM 0 HD13 LEU A 75 -12.944 -7.983 -6.606 1.00 22.33 H new ATOM 0 HD21 LEU A 75 -12.180 -5.768 -8.595 1.00 11.04 H new ATOM 0 HD22 LEU A 75 -11.750 -5.729 -6.869 1.00 11.04 H new ATOM 0 HD23 LEU A 75 -10.480 -5.578 -8.106 1.00 11.04 H new ATOM 1289 N ARG A 76 -9.390 -8.694 -3.461 1.00 55.43 N ATOM 1290 CA ARG A 76 -8.949 -9.785 -2.598 1.00 2.35 C ATOM 1291 C ARG A 76 -9.204 -9.450 -1.135 1.00 55.32 C ATOM 1292 O ARG A 76 -8.579 -10.020 -0.243 1.00 52.12 O ATOM 1293 CB ARG A 76 -7.462 -10.083 -2.813 1.00 55.20 C ATOM 1294 CG ARG A 76 -7.157 -10.783 -4.127 1.00 21.23 C ATOM 1295 CD ARG A 76 -7.931 -12.088 -4.252 1.00 62.14 C ATOM 1296 NE ARG A 76 -7.611 -12.805 -5.484 1.00 31.03 N ATOM 1297 CZ ARG A 76 -8.319 -12.710 -6.607 1.00 71.14 C ATOM 1298 NH1 ARG A 76 -9.411 -11.959 -6.648 1.00 13.35 N ATOM 1299 NH2 ARG A 76 -7.947 -13.390 -7.685 1.00 41.21 N ATOM 0 H ARG A 76 -9.064 -7.770 -3.178 1.00 55.43 H new ATOM 0 HA ARG A 76 -9.524 -10.673 -2.861 1.00 2.35 H new ATOM 0 HB2 ARG A 76 -6.905 -9.147 -2.774 1.00 55.20 H new ATOM 0 HB3 ARG A 76 -7.103 -10.702 -1.991 1.00 55.20 H new ATOM 0 HG2 ARG A 76 -7.411 -10.126 -4.959 1.00 21.23 H new ATOM 0 HG3 ARG A 76 -6.088 -10.984 -4.195 1.00 21.23 H new ATOM 0 HD2 ARG A 76 -7.708 -12.724 -3.395 1.00 62.14 H new ATOM 0 HD3 ARG A 76 -9.000 -11.878 -4.223 1.00 62.14 H new ATOM 0 HE ARG A 76 -6.794 -13.416 -5.483 1.00 31.03 H new ATOM 0 HH11 ARG A 76 -9.712 -11.451 -5.816 1.00 13.35 H new ATOM 0 HH12 ARG A 76 -9.950 -11.890 -7.511 1.00 13.35 H new ATOM 0 HH21 ARG A 76 -7.119 -13.985 -7.652 1.00 41.21 H new ATOM 0 HH22 ARG A 76 -8.489 -13.318 -8.546 1.00 41.21 H new ATOM 1313 N GLN A 77 -10.173 -8.574 -0.897 1.00 40.41 N ATOM 1314 CA GLN A 77 -10.412 -8.036 0.439 1.00 23.53 C ATOM 1315 C GLN A 77 -11.005 -9.089 1.383 1.00 74.12 C ATOM 1316 O GLN A 77 -11.224 -8.820 2.563 1.00 14.14 O ATOM 1317 CB GLN A 77 -11.342 -6.822 0.364 1.00 43.21 C ATOM 1318 CG GLN A 77 -11.172 -5.856 1.527 1.00 64.35 C ATOM 1319 CD GLN A 77 -9.783 -5.252 1.566 1.00 52.24 C ATOM 1320 OE1 GLN A 77 -9.533 -4.202 0.979 1.00 44.12 O ATOM 1321 NE2 GLN A 77 -8.867 -5.918 2.251 1.00 1.04 N ATOM 0 H GLN A 77 -10.808 -8.220 -1.613 1.00 40.41 H new ATOM 0 HA GLN A 77 -9.447 -7.731 0.844 1.00 23.53 H new ATOM 0 HB2 GLN A 77 -11.158 -6.290 -0.570 1.00 43.21 H new ATOM 0 HB3 GLN A 77 -12.376 -7.167 0.336 1.00 43.21 H new ATOM 0 HG2 GLN A 77 -11.911 -5.059 1.447 1.00 64.35 H new ATOM 0 HG3 GLN A 77 -11.366 -6.379 2.464 1.00 64.35 H new ATOM 0 HE21 GLN A 77 -9.116 -6.787 2.724 1.00 1.04 H new ATOM 0 HE22 GLN A 77 -7.912 -5.563 2.305 1.00 1.04 H new ATOM 1330 N HIS A 78 -11.268 -10.285 0.867 1.00 54.11 N ATOM 1331 CA HIS A 78 -11.781 -11.366 1.698 1.00 53.50 C ATOM 1332 C HIS A 78 -10.652 -12.148 2.356 1.00 33.31 C ATOM 1333 O HIS A 78 -10.834 -12.715 3.435 1.00 41.31 O ATOM 1334 CB HIS A 78 -12.673 -12.309 0.892 1.00 3.53 C ATOM 1335 CG HIS A 78 -14.118 -11.919 0.909 1.00 53.44 C ATOM 1336 ND1 HIS A 78 -14.746 -11.275 -0.136 1.00 60.44 N ATOM 1337 CD2 HIS A 78 -15.061 -12.090 1.864 1.00 64.45 C ATOM 1338 CE1 HIS A 78 -16.011 -11.067 0.177 1.00 34.10 C ATOM 1339 NE2 HIS A 78 -16.228 -11.552 1.385 1.00 21.30 N ATOM 0 H HIS A 78 -11.136 -10.528 -0.115 1.00 54.11 H new ATOM 0 HA HIS A 78 -12.382 -10.908 2.483 1.00 53.50 H new ATOM 0 HB2 HIS A 78 -12.323 -12.335 -0.140 1.00 3.53 H new ATOM 0 HB3 HIS A 78 -12.572 -13.320 1.288 1.00 3.53 H new ATOM 0 HD2 HIS A 78 -14.921 -12.562 2.825 1.00 64.45 H new ATOM 0 HE1 HIS A 78 -16.745 -10.582 -0.450 1.00 34.10 H new ATOM 0 HE2 HIS A 78 -17.119 -11.530 1.882 1.00 21.30 H new ATOM 1348 N GLU A 79 -9.492 -12.183 1.715 1.00 10.25 N ATOM 1349 CA GLU A 79 -8.347 -12.892 2.272 1.00 34.35 C ATOM 1350 C GLU A 79 -7.299 -11.907 2.782 1.00 61.23 C ATOM 1351 O GLU A 79 -6.515 -12.225 3.677 1.00 72.41 O ATOM 1352 CB GLU A 79 -7.750 -13.852 1.239 1.00 21.04 C ATOM 1353 CG GLU A 79 -6.577 -14.660 1.771 1.00 22.22 C ATOM 1354 CD GLU A 79 -6.334 -15.930 0.988 1.00 32.53 C ATOM 1355 OE1 GLU A 79 -5.867 -15.846 -0.166 1.00 32.05 O ATOM 1356 OE2 GLU A 79 -6.615 -17.020 1.530 1.00 33.13 O ATOM 0 H GLU A 79 -9.319 -11.733 0.816 1.00 10.25 H new ATOM 0 HA GLU A 79 -8.689 -13.485 3.120 1.00 34.35 H new ATOM 0 HB2 GLU A 79 -8.527 -14.536 0.898 1.00 21.04 H new ATOM 0 HB3 GLU A 79 -7.424 -13.281 0.370 1.00 21.04 H new ATOM 0 HG2 GLU A 79 -5.677 -14.045 1.745 1.00 22.22 H new ATOM 0 HG3 GLU A 79 -6.760 -14.913 2.815 1.00 22.22 H new ATOM 1363 N LEU A 80 -7.296 -10.706 2.222 1.00 24.52 N ATOM 1364 CA LEU A 80 -6.426 -9.651 2.711 1.00 32.23 C ATOM 1365 C LEU A 80 -6.995 -9.094 4.011 1.00 34.43 C ATOM 1366 O LEU A 80 -8.157 -8.685 4.053 1.00 0.55 O ATOM 1367 CB LEU A 80 -6.280 -8.537 1.668 1.00 53.01 C ATOM 1368 CG LEU A 80 -5.683 -8.969 0.326 1.00 12.02 C ATOM 1369 CD1 LEU A 80 -5.601 -7.784 -0.624 1.00 52.24 C ATOM 1370 CD2 LEU A 80 -4.309 -9.596 0.523 1.00 71.55 C ATOM 0 H LEU A 80 -7.884 -10.440 1.432 1.00 24.52 H new ATOM 0 HA LEU A 80 -5.435 -10.064 2.897 1.00 32.23 H new ATOM 0 HB2 LEU A 80 -7.263 -8.102 1.486 1.00 53.01 H new ATOM 0 HB3 LEU A 80 -5.655 -7.749 2.088 1.00 53.01 H new ATOM 0 HG LEU A 80 -6.338 -9.720 -0.115 1.00 12.02 H new ATOM 0 HD11 LEU A 80 -5.174 -8.108 -1.573 1.00 52.24 H new ATOM 0 HD12 LEU A 80 -6.600 -7.383 -0.793 1.00 52.24 H new ATOM 0 HD13 LEU A 80 -4.969 -7.011 -0.187 1.00 52.24 H new ATOM 0 HD21 LEU A 80 -3.904 -9.895 -0.444 1.00 71.55 H new ATOM 0 HD22 LEU A 80 -3.641 -8.870 0.987 1.00 71.55 H new ATOM 0 HD23 LEU A 80 -4.397 -10.471 1.166 1.00 71.55 H new ATOM 1382 N PRO A 81 -6.184 -9.094 5.084 1.00 2.11 N ATOM 1383 CA PRO A 81 -6.621 -8.680 6.423 1.00 55.21 C ATOM 1384 C PRO A 81 -7.234 -7.285 6.448 1.00 23.13 C ATOM 1385 O PRO A 81 -6.839 -6.400 5.679 1.00 2.03 O ATOM 1386 CB PRO A 81 -5.328 -8.703 7.247 1.00 72.31 C ATOM 1387 CG PRO A 81 -4.441 -9.655 6.529 1.00 13.11 C ATOM 1388 CD PRO A 81 -4.770 -9.499 5.073 1.00 42.21 C ATOM 0 HA PRO A 81 -7.404 -9.336 6.803 1.00 55.21 H new ATOM 0 HB2 PRO A 81 -4.879 -7.712 7.307 1.00 72.31 H new ATOM 0 HB3 PRO A 81 -5.516 -9.031 8.270 1.00 72.31 H new ATOM 0 HG2 PRO A 81 -3.391 -9.431 6.719 1.00 13.11 H new ATOM 0 HG3 PRO A 81 -4.614 -10.678 6.862 1.00 13.11 H new ATOM 0 HD2 PRO A 81 -4.140 -8.747 4.597 1.00 42.21 H new ATOM 0 HD3 PRO A 81 -4.623 -10.430 4.526 1.00 42.21 H new ATOM 1396 N ALA A 82 -8.194 -7.093 7.347 1.00 33.14 N ATOM 1397 CA ALA A 82 -8.863 -5.810 7.499 1.00 31.11 C ATOM 1398 C ALA A 82 -7.966 -4.822 8.234 1.00 44.54 C ATOM 1399 O ALA A 82 -8.179 -4.513 9.409 1.00 4.25 O ATOM 1400 CB ALA A 82 -10.189 -5.980 8.229 1.00 42.42 C ATOM 0 H ALA A 82 -8.526 -7.817 7.984 1.00 33.14 H new ATOM 0 HA ALA A 82 -9.069 -5.410 6.506 1.00 31.11 H new ATOM 0 HB1 ALA A 82 -10.674 -5.009 8.333 1.00 42.42 H new ATOM 0 HB2 ALA A 82 -10.834 -6.649 7.660 1.00 42.42 H new ATOM 0 HB3 ALA A 82 -10.009 -6.403 9.217 1.00 42.42 H new ATOM 1406 N MET A 83 -6.941 -4.361 7.541 1.00 40.32 N ATOM 1407 CA MET A 83 -6.018 -3.386 8.086 1.00 11.32 C ATOM 1408 C MET A 83 -5.753 -2.303 7.052 1.00 35.24 C ATOM 1409 O MET A 83 -5.660 -2.587 5.857 1.00 43.33 O ATOM 1410 CB MET A 83 -4.705 -4.053 8.515 1.00 14.20 C ATOM 1411 CG MET A 83 -3.939 -4.705 7.375 1.00 62.45 C ATOM 1412 SD MET A 83 -2.422 -5.507 7.932 1.00 60.30 S ATOM 1413 CE MET A 83 -1.752 -6.100 6.379 1.00 62.01 C ATOM 0 H MET A 83 -6.726 -4.652 6.587 1.00 40.32 H new ATOM 0 HA MET A 83 -6.466 -2.935 8.971 1.00 11.32 H new ATOM 0 HB2 MET A 83 -4.067 -3.305 8.986 1.00 14.20 H new ATOM 0 HB3 MET A 83 -4.923 -4.808 9.270 1.00 14.20 H new ATOM 0 HG2 MET A 83 -4.577 -5.441 6.887 1.00 62.45 H new ATOM 0 HG3 MET A 83 -3.694 -3.950 6.628 1.00 62.45 H new ATOM 0 HE1 MET A 83 -0.811 -6.619 6.563 1.00 62.01 H new ATOM 0 HE2 MET A 83 -2.460 -6.787 5.916 1.00 62.01 H new ATOM 0 HE3 MET A 83 -1.576 -5.256 5.712 1.00 62.01 H new ATOM 1423 N ASP A 84 -5.656 -1.070 7.515 1.00 63.21 N ATOM 1424 CA ASP A 84 -5.465 0.070 6.634 1.00 24.44 C ATOM 1425 C ASP A 84 -4.000 0.204 6.241 1.00 45.11 C ATOM 1426 O ASP A 84 -3.113 0.176 7.095 1.00 1.45 O ATOM 1427 CB ASP A 84 -5.953 1.349 7.318 1.00 42.20 C ATOM 1428 CG ASP A 84 -7.392 1.240 7.784 1.00 60.41 C ATOM 1429 OD1 ASP A 84 -8.302 1.460 6.962 1.00 0.01 O ATOM 1430 OD2 ASP A 84 -7.617 0.928 8.977 1.00 42.31 O ATOM 0 H ASP A 84 -5.707 -0.830 8.505 1.00 63.21 H new ATOM 0 HA ASP A 84 -6.049 -0.089 5.727 1.00 24.44 H new ATOM 0 HB2 ASP A 84 -5.313 1.568 8.172 1.00 42.20 H new ATOM 0 HB3 ASP A 84 -5.860 2.186 6.626 1.00 42.20 H new ATOM 1435 N PHE A 85 -3.750 0.335 4.944 1.00 63.32 N ATOM 1436 CA PHE A 85 -2.393 0.437 4.427 1.00 52.34 C ATOM 1437 C PHE A 85 -2.318 1.477 3.316 1.00 53.34 C ATOM 1438 O PHE A 85 -3.310 1.748 2.634 1.00 62.21 O ATOM 1439 CB PHE A 85 -1.900 -0.928 3.921 1.00 54.21 C ATOM 1440 CG PHE A 85 -2.790 -1.570 2.885 1.00 44.32 C ATOM 1441 CD1 PHE A 85 -2.620 -1.300 1.535 1.00 21.10 C ATOM 1442 CD2 PHE A 85 -3.793 -2.450 3.265 1.00 31.31 C ATOM 1443 CE1 PHE A 85 -3.435 -1.893 0.588 1.00 42.43 C ATOM 1444 CE2 PHE A 85 -4.610 -3.046 2.322 1.00 20.51 C ATOM 1445 CZ PHE A 85 -4.430 -2.767 0.981 1.00 41.13 C ATOM 0 H PHE A 85 -4.475 0.373 4.228 1.00 63.32 H new ATOM 0 HA PHE A 85 -1.742 0.756 5.241 1.00 52.34 H new ATOM 0 HB2 PHE A 85 -0.902 -0.806 3.499 1.00 54.21 H new ATOM 0 HB3 PHE A 85 -1.807 -1.604 4.771 1.00 54.21 H new ATOM 0 HD1 PHE A 85 -1.843 -0.619 1.220 1.00 21.10 H new ATOM 0 HD2 PHE A 85 -3.938 -2.673 4.312 1.00 31.31 H new ATOM 0 HE1 PHE A 85 -3.293 -1.673 -0.460 1.00 42.43 H new ATOM 0 HE2 PHE A 85 -5.387 -3.728 2.633 1.00 20.51 H new ATOM 0 HZ PHE A 85 -5.066 -3.231 0.242 1.00 41.13 H new ATOM 1455 N VAL A 86 -1.138 2.054 3.132 1.00 33.20 N ATOM 1456 CA VAL A 86 -0.941 3.084 2.125 1.00 63.34 C ATOM 1457 C VAL A 86 0.031 2.613 1.048 1.00 22.33 C ATOM 1458 O VAL A 86 0.981 1.882 1.326 1.00 24.20 O ATOM 1459 CB VAL A 86 -0.433 4.408 2.744 1.00 32.40 C ATOM 1460 CG1 VAL A 86 -1.492 5.011 3.657 1.00 23.35 C ATOM 1461 CG2 VAL A 86 0.870 4.193 3.507 1.00 53.14 C ATOM 0 H VAL A 86 -0.302 1.824 3.669 1.00 33.20 H new ATOM 0 HA VAL A 86 -1.914 3.273 1.672 1.00 63.34 H new ATOM 0 HB VAL A 86 -0.236 5.106 1.930 1.00 32.40 H new ATOM 0 HG11 VAL A 86 -1.118 5.942 4.084 1.00 23.35 H new ATOM 0 HG12 VAL A 86 -2.396 5.213 3.082 1.00 23.35 H new ATOM 0 HG13 VAL A 86 -1.722 4.311 4.460 1.00 23.35 H new ATOM 0 HG21 VAL A 86 1.204 5.140 3.931 1.00 53.14 H new ATOM 0 HG22 VAL A 86 0.707 3.473 4.309 1.00 53.14 H new ATOM 0 HG23 VAL A 86 1.631 3.812 2.827 1.00 53.14 H new ATOM 1471 N VAL A 87 -0.225 3.021 -0.184 1.00 44.21 N ATOM 1472 CA VAL A 87 0.621 2.650 -1.312 1.00 24.21 C ATOM 1473 C VAL A 87 1.189 3.907 -1.954 1.00 41.14 C ATOM 1474 O VAL A 87 0.458 4.690 -2.555 1.00 75.43 O ATOM 1475 CB VAL A 87 -0.161 1.846 -2.377 1.00 10.22 C ATOM 1476 CG1 VAL A 87 0.757 1.402 -3.506 1.00 34.12 C ATOM 1477 CG2 VAL A 87 -0.850 0.645 -1.748 1.00 43.42 C ATOM 0 H VAL A 87 -1.017 3.614 -0.432 1.00 44.21 H new ATOM 0 HA VAL A 87 1.424 2.018 -0.932 1.00 24.21 H new ATOM 0 HB VAL A 87 -0.925 2.500 -2.796 1.00 10.22 H new ATOM 0 HG11 VAL A 87 0.183 0.839 -4.242 1.00 34.12 H new ATOM 0 HG12 VAL A 87 1.197 2.278 -3.983 1.00 34.12 H new ATOM 0 HG13 VAL A 87 1.549 0.771 -3.104 1.00 34.12 H new ATOM 0 HG21 VAL A 87 -1.394 0.094 -2.516 1.00 43.42 H new ATOM 0 HG22 VAL A 87 -0.103 -0.007 -1.294 1.00 43.42 H new ATOM 0 HG23 VAL A 87 -1.548 0.985 -0.983 1.00 43.42 H new ATOM 1487 N VAL A 88 2.488 4.106 -1.813 1.00 71.30 N ATOM 1488 CA VAL A 88 3.124 5.319 -2.297 1.00 23.10 C ATOM 1489 C VAL A 88 3.814 5.080 -3.639 1.00 3.12 C ATOM 1490 O VAL A 88 4.768 4.303 -3.732 1.00 22.34 O ATOM 1491 CB VAL A 88 4.156 5.858 -1.282 1.00 62.14 C ATOM 1492 CG1 VAL A 88 4.719 7.197 -1.741 1.00 64.13 C ATOM 1493 CG2 VAL A 88 3.535 5.986 0.101 1.00 75.44 C ATOM 0 H VAL A 88 3.123 3.444 -1.367 1.00 71.30 H new ATOM 0 HA VAL A 88 2.336 6.061 -2.426 1.00 23.10 H new ATOM 0 HB VAL A 88 4.978 5.144 -1.225 1.00 62.14 H new ATOM 0 HG11 VAL A 88 5.443 7.557 -1.010 1.00 64.13 H new ATOM 0 HG12 VAL A 88 5.208 7.074 -2.707 1.00 64.13 H new ATOM 0 HG13 VAL A 88 3.908 7.920 -1.834 1.00 64.13 H new ATOM 0 HG21 VAL A 88 4.279 6.367 0.800 1.00 75.44 H new ATOM 0 HG22 VAL A 88 2.691 6.674 0.059 1.00 75.44 H new ATOM 0 HG23 VAL A 88 3.189 5.008 0.437 1.00 75.44 H new ATOM 1503 N ALA A 89 3.321 5.747 -4.673 1.00 4.01 N ATOM 1504 CA ALA A 89 3.911 5.651 -5.998 1.00 13.35 C ATOM 1505 C ALA A 89 5.041 6.661 -6.140 1.00 2.33 C ATOM 1506 O ALA A 89 4.845 7.859 -5.918 1.00 41.30 O ATOM 1507 CB ALA A 89 2.850 5.873 -7.067 1.00 21.20 C ATOM 0 H ALA A 89 2.510 6.363 -4.618 1.00 4.01 H new ATOM 0 HA ALA A 89 4.323 4.651 -6.131 1.00 13.35 H new ATOM 0 HB1 ALA A 89 3.307 5.798 -8.054 1.00 21.20 H new ATOM 0 HB2 ALA A 89 2.071 5.117 -6.969 1.00 21.20 H new ATOM 0 HB3 ALA A 89 2.411 6.863 -6.944 1.00 21.20 H new ATOM 1513 N LYS A 90 6.221 6.175 -6.494 1.00 45.31 N ATOM 1514 CA LYS A 90 7.403 7.018 -6.567 1.00 12.33 C ATOM 1515 C LYS A 90 7.599 7.569 -7.975 1.00 61.44 C ATOM 1516 O LYS A 90 6.854 7.235 -8.901 1.00 22.31 O ATOM 1517 CB LYS A 90 8.640 6.230 -6.136 1.00 4.41 C ATOM 1518 CG LYS A 90 8.507 5.580 -4.767 1.00 35.03 C ATOM 1519 CD LYS A 90 8.389 6.611 -3.657 1.00 3.53 C ATOM 1520 CE LYS A 90 8.195 5.944 -2.304 1.00 31.10 C ATOM 1521 NZ LYS A 90 9.303 5.002 -1.986 1.00 64.04 N ATOM 0 H LYS A 90 6.385 5.198 -6.736 1.00 45.31 H new ATOM 0 HA LYS A 90 7.260 7.859 -5.889 1.00 12.33 H new ATOM 0 HB2 LYS A 90 8.843 5.457 -6.877 1.00 4.41 H new ATOM 0 HB3 LYS A 90 9.501 6.898 -6.129 1.00 4.41 H new ATOM 0 HG2 LYS A 90 7.629 4.934 -4.756 1.00 35.03 H new ATOM 0 HG3 LYS A 90 9.373 4.945 -4.581 1.00 35.03 H new ATOM 0 HD2 LYS A 90 9.286 7.230 -3.635 1.00 3.53 H new ATOM 0 HD3 LYS A 90 7.549 7.275 -3.862 1.00 3.53 H new ATOM 0 HE2 LYS A 90 8.133 6.707 -1.528 1.00 31.10 H new ATOM 0 HE3 LYS A 90 7.247 5.406 -2.297 1.00 31.10 H new ATOM 0 HZ1 LYS A 90 9.587 5.122 -0.993 1.00 64.04 H new ATOM 0 HZ2 LYS A 90 8.982 4.025 -2.138 1.00 64.04 H new ATOM 0 HZ3 LYS A 90 10.115 5.200 -2.604 1.00 64.04 H new ATOM 1535 N LYS A 91 8.608 8.418 -8.120 1.00 32.45 N ATOM 1536 CA LYS A 91 8.916 9.049 -9.395 1.00 13.22 C ATOM 1537 C LYS A 91 9.538 8.054 -10.363 1.00 55.43 C ATOM 1538 O LYS A 91 10.703 7.674 -10.228 1.00 13.42 O ATOM 1539 CB LYS A 91 9.843 10.252 -9.183 1.00 65.32 C ATOM 1540 CG LYS A 91 10.841 10.062 -8.051 1.00 40.13 C ATOM 1541 CD LYS A 91 11.704 11.295 -7.850 1.00 14.23 C ATOM 1542 CE LYS A 91 12.509 11.197 -6.567 1.00 41.45 C ATOM 1543 NZ LYS A 91 13.501 12.295 -6.447 1.00 35.02 N ATOM 0 H LYS A 91 9.233 8.687 -7.360 1.00 32.45 H new ATOM 0 HA LYS A 91 7.983 9.402 -9.835 1.00 13.22 H new ATOM 0 HB2 LYS A 91 10.388 10.447 -10.107 1.00 65.32 H new ATOM 0 HB3 LYS A 91 9.237 11.135 -8.977 1.00 65.32 H new ATOM 0 HG2 LYS A 91 10.306 9.838 -7.128 1.00 40.13 H new ATOM 0 HG3 LYS A 91 11.477 9.204 -8.267 1.00 40.13 H new ATOM 0 HD2 LYS A 91 12.379 11.412 -8.698 1.00 14.23 H new ATOM 0 HD3 LYS A 91 11.073 12.183 -7.820 1.00 14.23 H new ATOM 0 HE2 LYS A 91 11.833 11.224 -5.712 1.00 41.45 H new ATOM 0 HE3 LYS A 91 13.025 10.237 -6.535 1.00 41.45 H new ATOM 0 HZ1 LYS A 91 14.029 12.190 -5.557 1.00 35.02 H new ATOM 0 HZ2 LYS A 91 14.162 12.255 -7.249 1.00 35.02 H new ATOM 0 HZ3 LYS A 91 13.008 13.211 -6.451 1.00 35.02 H new ATOM 1557 N GLY A 92 8.743 7.634 -11.334 1.00 74.52 N ATOM 1558 CA GLY A 92 9.200 6.665 -12.305 1.00 62.15 C ATOM 1559 C GLY A 92 8.057 5.841 -12.858 1.00 30.12 C ATOM 1560 O GLY A 92 8.094 5.416 -14.011 1.00 11.14 O ATOM 0 H GLY A 92 7.782 7.950 -11.467 1.00 74.52 H new ATOM 0 HA2 GLY A 92 9.705 7.180 -13.122 1.00 62.15 H new ATOM 0 HA3 GLY A 92 9.933 6.005 -11.842 1.00 62.15 H new ATOM 1564 N VAL A 93 7.028 5.633 -12.040 1.00 33.10 N ATOM 1565 CA VAL A 93 5.867 4.833 -12.441 1.00 54.11 C ATOM 1566 C VAL A 93 5.143 5.443 -13.643 1.00 43.24 C ATOM 1567 O VAL A 93 4.497 4.736 -14.411 1.00 75.24 O ATOM 1568 CB VAL A 93 4.858 4.660 -11.281 1.00 42.12 C ATOM 1569 CG1 VAL A 93 5.477 3.860 -10.144 1.00 2.45 C ATOM 1570 CG2 VAL A 93 4.370 6.012 -10.774 1.00 50.23 C ATOM 0 H VAL A 93 6.972 6.007 -11.093 1.00 33.10 H new ATOM 0 HA VAL A 93 6.259 3.855 -12.720 1.00 54.11 H new ATOM 0 HB VAL A 93 3.999 4.110 -11.665 1.00 42.12 H new ATOM 0 HG11 VAL A 93 4.751 3.750 -9.339 1.00 2.45 H new ATOM 0 HG12 VAL A 93 5.767 2.874 -10.508 1.00 2.45 H new ATOM 0 HG13 VAL A 93 6.358 4.382 -9.769 1.00 2.45 H new ATOM 0 HG21 VAL A 93 3.662 5.861 -9.959 1.00 50.23 H new ATOM 0 HG22 VAL A 93 5.219 6.594 -10.414 1.00 50.23 H new ATOM 0 HG23 VAL A 93 3.880 6.550 -11.586 1.00 50.23 H new ATOM 1580 N ALA A 94 5.273 6.753 -13.808 1.00 45.13 N ATOM 1581 CA ALA A 94 4.583 7.465 -14.876 1.00 63.05 C ATOM 1582 C ALA A 94 5.246 7.235 -16.229 1.00 23.25 C ATOM 1583 O ALA A 94 4.641 7.460 -17.277 1.00 31.34 O ATOM 1584 CB ALA A 94 4.538 8.950 -14.565 1.00 64.24 C ATOM 0 H ALA A 94 5.852 7.346 -13.214 1.00 45.13 H new ATOM 0 HA ALA A 94 3.567 7.073 -14.934 1.00 63.05 H new ATOM 0 HB1 ALA A 94 4.021 9.474 -15.368 1.00 64.24 H new ATOM 0 HB2 ALA A 94 4.007 9.109 -13.627 1.00 64.24 H new ATOM 0 HB3 ALA A 94 5.554 9.334 -14.476 1.00 64.24 H new ATOM 1590 N ASP A 95 6.488 6.781 -16.206 1.00 41.54 N ATOM 1591 CA ASP A 95 7.251 6.608 -17.435 1.00 72.13 C ATOM 1592 C ASP A 95 7.512 5.127 -17.687 1.00 32.04 C ATOM 1593 O ASP A 95 8.435 4.745 -18.406 1.00 71.11 O ATOM 1594 CB ASP A 95 8.566 7.392 -17.347 1.00 43.03 C ATOM 1595 CG ASP A 95 9.266 7.518 -18.686 1.00 1.45 C ATOM 1596 OD1 ASP A 95 8.626 7.976 -19.656 1.00 61.14 O ATOM 1597 OD2 ASP A 95 10.468 7.188 -18.768 1.00 12.04 O ATOM 0 H ASP A 95 6.989 6.526 -15.355 1.00 41.54 H new ATOM 0 HA ASP A 95 6.675 6.997 -18.274 1.00 72.13 H new ATOM 0 HB2 ASP A 95 8.364 8.388 -16.953 1.00 43.03 H new ATOM 0 HB3 ASP A 95 9.232 6.898 -16.639 1.00 43.03 H new ATOM 1602 N LEU A 96 6.679 4.289 -17.087 1.00 11.45 N ATOM 1603 CA LEU A 96 6.784 2.854 -17.277 1.00 21.31 C ATOM 1604 C LEU A 96 5.934 2.404 -18.459 1.00 21.43 C ATOM 1605 O LEU A 96 5.139 3.177 -19.003 1.00 53.20 O ATOM 1606 CB LEU A 96 6.360 2.105 -16.009 1.00 30.33 C ATOM 1607 CG LEU A 96 7.270 2.310 -14.794 1.00 55.40 C ATOM 1608 CD1 LEU A 96 6.776 1.493 -13.612 1.00 22.41 C ATOM 1609 CD2 LEU A 96 8.706 1.942 -15.136 1.00 63.33 C ATOM 0 H LEU A 96 5.924 4.580 -16.465 1.00 11.45 H new ATOM 0 HA LEU A 96 7.827 2.618 -17.487 1.00 21.31 H new ATOM 0 HB2 LEU A 96 5.350 2.417 -15.743 1.00 30.33 H new ATOM 0 HB3 LEU A 96 6.316 1.039 -16.234 1.00 30.33 H new ATOM 0 HG LEU A 96 7.242 3.364 -14.517 1.00 55.40 H new ATOM 0 HD11 LEU A 96 7.435 1.652 -12.759 1.00 22.41 H new ATOM 0 HD12 LEU A 96 5.764 1.805 -13.352 1.00 22.41 H new ATOM 0 HD13 LEU A 96 6.773 0.436 -13.876 1.00 22.41 H new ATOM 0 HD21 LEU A 96 9.339 2.094 -14.261 1.00 63.33 H new ATOM 0 HD22 LEU A 96 8.751 0.896 -15.440 1.00 63.33 H new ATOM 0 HD23 LEU A 96 9.059 2.572 -15.952 1.00 63.33 H new ATOM 1621 N ASP A 97 6.115 1.155 -18.853 1.00 44.41 N ATOM 1622 CA ASP A 97 5.386 0.577 -19.974 1.00 22.20 C ATOM 1623 C ASP A 97 4.133 -0.146 -19.487 1.00 51.23 C ATOM 1624 O ASP A 97 4.107 -0.674 -18.378 1.00 43.02 O ATOM 1625 CB ASP A 97 6.300 -0.384 -20.737 1.00 61.43 C ATOM 1626 CG ASP A 97 5.547 -1.257 -21.714 1.00 31.02 C ATOM 1627 OD1 ASP A 97 5.152 -0.758 -22.785 1.00 12.13 O ATOM 1628 OD2 ASP A 97 5.341 -2.446 -21.407 1.00 25.04 O ATOM 0 H ASP A 97 6.770 0.512 -18.407 1.00 44.41 H new ATOM 0 HA ASP A 97 5.072 1.377 -20.644 1.00 22.20 H new ATOM 0 HB2 ASP A 97 7.054 0.190 -21.276 1.00 61.43 H new ATOM 0 HB3 ASP A 97 6.830 -1.017 -20.025 1.00 61.43 H new ATOM 1633 N ASN A 98 3.098 -0.169 -20.322 1.00 15.15 N ATOM 1634 CA ASN A 98 1.821 -0.781 -19.955 1.00 64.21 C ATOM 1635 C ASN A 98 1.955 -2.277 -19.693 1.00 64.10 C ATOM 1636 O ASN A 98 1.316 -2.809 -18.786 1.00 30.24 O ATOM 1637 CB ASN A 98 0.767 -0.532 -21.037 1.00 72.53 C ATOM 1638 CG ASN A 98 0.012 0.768 -20.831 1.00 12.04 C ATOM 1639 OD1 ASN A 98 -0.191 1.212 -19.698 1.00 34.44 O ATOM 1640 ND2 ASN A 98 -0.422 1.381 -21.921 1.00 71.02 N ATOM 0 H ASN A 98 3.117 0.230 -21.261 1.00 15.15 H new ATOM 0 HA ASN A 98 1.499 -0.308 -19.027 1.00 64.21 H new ATOM 0 HB2 ASN A 98 1.251 -0.515 -22.013 1.00 72.53 H new ATOM 0 HB3 ASN A 98 0.059 -1.361 -21.047 1.00 72.53 H new ATOM 0 HD21 ASN A 98 -0.945 2.253 -21.842 1.00 71.02 H new ATOM 0 HD22 ASN A 98 -0.233 0.981 -22.840 1.00 71.02 H new ATOM 1647 N ARG A 99 2.793 -2.959 -20.467 1.00 21.15 N ATOM 1648 CA ARG A 99 2.983 -4.391 -20.276 1.00 3.45 C ATOM 1649 C ARG A 99 3.905 -4.625 -19.085 1.00 71.12 C ATOM 1650 O ARG A 99 3.782 -5.617 -18.370 1.00 52.34 O ATOM 1651 CB ARG A 99 3.558 -5.043 -21.537 1.00 52.23 C ATOM 1652 CG ARG A 99 3.348 -6.548 -21.579 1.00 70.45 C ATOM 1653 CD ARG A 99 4.021 -7.183 -22.786 1.00 41.22 C ATOM 1654 NE ARG A 99 5.473 -7.257 -22.633 1.00 64.03 N ATOM 1655 CZ ARG A 99 6.306 -7.656 -23.590 1.00 24.20 C ATOM 1656 NH1 ARG A 99 5.845 -7.969 -24.796 1.00 21.05 N ATOM 1657 NH2 ARG A 99 7.605 -7.740 -23.333 1.00 4.42 N ATOM 0 H ARG A 99 3.344 -2.550 -21.222 1.00 21.15 H new ATOM 0 HA ARG A 99 2.015 -4.851 -20.079 1.00 3.45 H new ATOM 0 HB2 ARG A 99 3.095 -4.593 -22.415 1.00 52.23 H new ATOM 0 HB3 ARG A 99 4.625 -4.829 -21.595 1.00 52.23 H new ATOM 0 HG2 ARG A 99 3.743 -6.995 -20.667 1.00 70.45 H new ATOM 0 HG3 ARG A 99 2.280 -6.765 -21.604 1.00 70.45 H new ATOM 0 HD2 ARG A 99 3.622 -8.186 -22.937 1.00 41.22 H new ATOM 0 HD3 ARG A 99 3.780 -6.606 -23.679 1.00 41.22 H new ATOM 0 HE ARG A 99 5.873 -6.985 -21.735 1.00 64.03 H new ATOM 0 HH11 ARG A 99 4.846 -7.904 -24.993 1.00 21.05 H new ATOM 0 HH12 ARG A 99 6.490 -8.274 -25.525 1.00 21.05 H new ATOM 0 HH21 ARG A 99 7.958 -7.499 -22.407 1.00 4.42 H new ATOM 0 HH22 ARG A 99 8.250 -8.045 -24.062 1.00 4.42 H new ATOM 1671 N ALA A 100 4.816 -3.680 -18.868 1.00 21.33 N ATOM 1672 CA ALA A 100 5.711 -3.718 -17.718 1.00 0.42 C ATOM 1673 C ALA A 100 4.918 -3.605 -16.422 1.00 52.41 C ATOM 1674 O ALA A 100 5.313 -4.146 -15.390 1.00 40.03 O ATOM 1675 CB ALA A 100 6.743 -2.604 -17.809 1.00 52.42 C ATOM 0 H ALA A 100 4.953 -2.874 -19.478 1.00 21.33 H new ATOM 0 HA ALA A 100 6.235 -4.674 -17.720 1.00 0.42 H new ATOM 0 HB1 ALA A 100 7.403 -2.647 -16.942 1.00 52.42 H new ATOM 0 HB2 ALA A 100 7.331 -2.726 -18.719 1.00 52.42 H new ATOM 0 HB3 ALA A 100 6.236 -1.639 -17.831 1.00 52.42 H new ATOM 1681 N LEU A 101 3.789 -2.905 -16.489 1.00 31.53 N ATOM 1682 CA LEU A 101 2.895 -2.788 -15.346 1.00 24.50 C ATOM 1683 C LEU A 101 2.299 -4.146 -15.001 1.00 12.50 C ATOM 1684 O LEU A 101 2.050 -4.445 -13.837 1.00 55.21 O ATOM 1685 CB LEU A 101 1.774 -1.782 -15.631 1.00 50.54 C ATOM 1686 CG LEU A 101 2.235 -0.343 -15.871 1.00 51.22 C ATOM 1687 CD1 LEU A 101 1.049 0.547 -16.212 1.00 32.34 C ATOM 1688 CD2 LEU A 101 2.974 0.198 -14.653 1.00 52.32 C ATOM 0 H LEU A 101 3.473 -2.411 -17.324 1.00 31.53 H new ATOM 0 HA LEU A 101 3.475 -2.427 -14.497 1.00 24.50 H new ATOM 0 HB2 LEU A 101 1.219 -2.119 -16.506 1.00 50.54 H new ATOM 0 HB3 LEU A 101 1.079 -1.789 -14.791 1.00 50.54 H new ATOM 0 HG LEU A 101 2.923 -0.342 -16.716 1.00 51.22 H new ATOM 0 HD11 LEU A 101 1.396 1.567 -16.379 1.00 32.34 H new ATOM 0 HD12 LEU A 101 0.563 0.176 -17.115 1.00 32.34 H new ATOM 0 HD13 LEU A 101 0.337 0.537 -15.387 1.00 32.34 H new ATOM 0 HD21 LEU A 101 3.293 1.222 -14.846 1.00 52.32 H new ATOM 0 HD22 LEU A 101 2.311 0.181 -13.788 1.00 52.32 H new ATOM 0 HD23 LEU A 101 3.848 -0.422 -14.453 1.00 52.32 H new ATOM 1700 N SER A 102 2.091 -4.970 -16.023 1.00 15.52 N ATOM 1701 CA SER A 102 1.565 -6.315 -15.830 1.00 72.23 C ATOM 1702 C SER A 102 2.633 -7.205 -15.189 1.00 0.12 C ATOM 1703 O SER A 102 2.334 -8.058 -14.351 1.00 4.52 O ATOM 1704 CB SER A 102 1.105 -6.899 -17.173 1.00 11.21 C ATOM 1705 OG SER A 102 0.424 -8.131 -17.005 1.00 52.05 O ATOM 0 H SER A 102 2.280 -4.728 -16.996 1.00 15.52 H new ATOM 0 HA SER A 102 0.704 -6.271 -15.163 1.00 72.23 H new ATOM 0 HB2 SER A 102 0.450 -6.187 -17.674 1.00 11.21 H new ATOM 0 HB3 SER A 102 1.969 -7.047 -17.820 1.00 11.21 H new ATOM 0 HG SER A 102 0.145 -8.472 -17.880 1.00 52.05 H new ATOM 1711 N GLU A 103 3.886 -6.977 -15.573 1.00 62.54 N ATOM 1712 CA GLU A 103 5.012 -7.726 -15.020 1.00 12.34 C ATOM 1713 C GLU A 103 5.225 -7.362 -13.556 1.00 45.54 C ATOM 1714 O GLU A 103 5.559 -8.212 -12.732 1.00 64.54 O ATOM 1715 CB GLU A 103 6.289 -7.432 -15.805 1.00 33.51 C ATOM 1716 CG GLU A 103 6.160 -7.674 -17.295 1.00 42.11 C ATOM 1717 CD GLU A 103 5.817 -9.108 -17.629 1.00 72.40 C ATOM 1718 OE1 GLU A 103 6.728 -9.960 -17.619 1.00 64.02 O ATOM 1719 OE2 GLU A 103 4.640 -9.384 -17.930 1.00 72.01 O ATOM 0 H GLU A 103 4.148 -6.277 -16.267 1.00 62.54 H new ATOM 0 HA GLU A 103 4.781 -8.788 -15.097 1.00 12.34 H new ATOM 0 HB2 GLU A 103 6.576 -6.394 -15.638 1.00 33.51 H new ATOM 0 HB3 GLU A 103 7.096 -8.052 -15.414 1.00 33.51 H new ATOM 0 HG2 GLU A 103 5.390 -7.017 -17.700 1.00 42.11 H new ATOM 0 HG3 GLU A 103 7.096 -7.406 -17.784 1.00 42.11 H new ATOM 1726 N ALA A 104 5.027 -6.088 -13.243 1.00 53.44 N ATOM 1727 CA ALA A 104 5.232 -5.591 -11.892 1.00 22.40 C ATOM 1728 C ALA A 104 4.022 -5.872 -11.013 1.00 22.11 C ATOM 1729 O ALA A 104 4.137 -5.925 -9.790 1.00 44.52 O ATOM 1730 CB ALA A 104 5.536 -4.097 -11.918 1.00 44.43 C ATOM 0 H ALA A 104 4.723 -5.379 -13.910 1.00 53.44 H new ATOM 0 HA ALA A 104 6.086 -6.116 -11.465 1.00 22.40 H new ATOM 0 HB1 ALA A 104 5.687 -3.739 -10.900 1.00 44.43 H new ATOM 0 HB2 ALA A 104 6.438 -3.919 -12.503 1.00 44.43 H new ATOM 0 HB3 ALA A 104 4.700 -3.563 -12.370 1.00 44.43 H new ATOM 1736 N LEU A 105 2.868 -6.070 -11.644 1.00 64.13 N ATOM 1737 CA LEU A 105 1.615 -6.300 -10.927 1.00 70.23 C ATOM 1738 C LEU A 105 1.740 -7.493 -9.983 1.00 71.45 C ATOM 1739 O LEU A 105 1.326 -7.426 -8.826 1.00 33.14 O ATOM 1740 CB LEU A 105 0.473 -6.523 -11.935 1.00 65.02 C ATOM 1741 CG LEU A 105 -0.961 -6.511 -11.373 1.00 55.33 C ATOM 1742 CD1 LEU A 105 -1.317 -7.836 -10.707 1.00 73.35 C ATOM 1743 CD2 LEU A 105 -1.143 -5.357 -10.397 1.00 1.13 C ATOM 0 H LEU A 105 2.774 -6.076 -12.660 1.00 64.13 H new ATOM 0 HA LEU A 105 1.389 -5.420 -10.324 1.00 70.23 H new ATOM 0 HB2 LEU A 105 0.543 -5.753 -12.704 1.00 65.02 H new ATOM 0 HB3 LEU A 105 0.637 -7.481 -12.428 1.00 65.02 H new ATOM 0 HG LEU A 105 -1.642 -6.371 -12.213 1.00 55.33 H new ATOM 0 HD11 LEU A 105 -2.336 -7.788 -10.323 1.00 73.35 H new ATOM 0 HD12 LEU A 105 -1.242 -8.642 -11.437 1.00 73.35 H new ATOM 0 HD13 LEU A 105 -0.628 -8.026 -9.884 1.00 73.35 H new ATOM 0 HD21 LEU A 105 -2.162 -5.365 -10.010 1.00 1.13 H new ATOM 0 HD22 LEU A 105 -0.441 -5.465 -9.571 1.00 1.13 H new ATOM 0 HD23 LEU A 105 -0.957 -4.414 -10.910 1.00 1.13 H new ATOM 1755 N GLU A 106 2.332 -8.575 -10.471 1.00 3.41 N ATOM 1756 CA GLU A 106 2.454 -9.798 -9.683 1.00 51.44 C ATOM 1757 C GLU A 106 3.415 -9.617 -8.512 1.00 55.41 C ATOM 1758 O GLU A 106 3.349 -10.354 -7.531 1.00 13.01 O ATOM 1759 CB GLU A 106 2.932 -10.955 -10.562 1.00 4.32 C ATOM 1760 CG GLU A 106 4.300 -10.722 -11.180 1.00 45.43 C ATOM 1761 CD GLU A 106 4.844 -11.950 -11.874 1.00 62.23 C ATOM 1762 OE1 GLU A 106 4.402 -12.246 -13.001 1.00 31.55 O ATOM 1763 OE2 GLU A 106 5.716 -12.632 -11.294 1.00 51.23 O ATOM 0 H GLU A 106 2.735 -8.633 -11.406 1.00 3.41 H new ATOM 0 HA GLU A 106 1.466 -10.028 -9.284 1.00 51.44 H new ATOM 0 HB2 GLU A 106 2.963 -11.866 -9.964 1.00 4.32 H new ATOM 0 HB3 GLU A 106 2.206 -11.120 -11.358 1.00 4.32 H new ATOM 0 HG2 GLU A 106 4.236 -9.903 -11.897 1.00 45.43 H new ATOM 0 HG3 GLU A 106 4.997 -10.411 -10.402 1.00 45.43 H new ATOM 1770 N LYS A 107 4.293 -8.626 -8.609 1.00 74.15 N ATOM 1771 CA LYS A 107 5.350 -8.452 -7.621 1.00 12.53 C ATOM 1772 C LYS A 107 4.783 -7.933 -6.307 1.00 1.00 C ATOM 1773 O LYS A 107 4.893 -8.590 -5.273 1.00 71.41 O ATOM 1774 CB LYS A 107 6.431 -7.494 -8.136 1.00 33.04 C ATOM 1775 CG LYS A 107 6.899 -7.788 -9.553 1.00 43.01 C ATOM 1776 CD LYS A 107 7.374 -9.221 -9.716 1.00 53.23 C ATOM 1777 CE LYS A 107 8.624 -9.508 -8.902 1.00 63.34 C ATOM 1778 NZ LYS A 107 9.055 -10.920 -9.060 1.00 33.22 N ATOM 0 H LYS A 107 4.294 -7.934 -9.358 1.00 74.15 H new ATOM 0 HA LYS A 107 5.803 -9.428 -7.447 1.00 12.53 H new ATOM 0 HB2 LYS A 107 6.047 -6.475 -8.096 1.00 33.04 H new ATOM 0 HB3 LYS A 107 7.289 -7.538 -7.465 1.00 33.04 H new ATOM 0 HG2 LYS A 107 6.083 -7.596 -10.250 1.00 43.01 H new ATOM 0 HG3 LYS A 107 7.709 -7.107 -9.815 1.00 43.01 H new ATOM 0 HD2 LYS A 107 6.580 -9.902 -9.411 1.00 53.23 H new ATOM 0 HD3 LYS A 107 7.575 -9.418 -10.769 1.00 53.23 H new ATOM 0 HE2 LYS A 107 9.427 -8.842 -9.217 1.00 63.34 H new ATOM 0 HE3 LYS A 107 8.432 -9.299 -7.850 1.00 63.34 H new ATOM 0 HZ1 LYS A 107 9.911 -11.087 -8.493 1.00 33.22 H new ATOM 0 HZ2 LYS A 107 8.296 -11.553 -8.736 1.00 33.22 H new ATOM 0 HZ3 LYS A 107 9.261 -11.110 -10.062 1.00 33.22 H new ATOM 1792 N LEU A 108 4.157 -6.762 -6.351 1.00 70.14 N ATOM 1793 CA LEU A 108 3.628 -6.147 -5.140 1.00 55.21 C ATOM 1794 C LEU A 108 2.386 -6.890 -4.657 1.00 55.23 C ATOM 1795 O LEU A 108 2.099 -6.922 -3.459 1.00 2.00 O ATOM 1796 CB LEU A 108 3.314 -4.653 -5.348 1.00 74.04 C ATOM 1797 CG LEU A 108 2.070 -4.321 -6.186 1.00 54.24 C ATOM 1798 CD1 LEU A 108 1.672 -2.868 -5.984 1.00 72.22 C ATOM 1799 CD2 LEU A 108 2.316 -4.581 -7.659 1.00 13.50 C ATOM 0 H LEU A 108 4.004 -6.224 -7.204 1.00 70.14 H new ATOM 0 HA LEU A 108 4.400 -6.219 -4.374 1.00 55.21 H new ATOM 0 HB2 LEU A 108 3.198 -4.190 -4.368 1.00 74.04 H new ATOM 0 HB3 LEU A 108 4.178 -4.186 -5.821 1.00 74.04 H new ATOM 0 HG LEU A 108 1.260 -4.969 -5.851 1.00 54.24 H new ATOM 0 HD11 LEU A 108 0.789 -2.646 -6.583 1.00 72.22 H new ATOM 0 HD12 LEU A 108 1.449 -2.695 -4.931 1.00 72.22 H new ATOM 0 HD13 LEU A 108 2.492 -2.220 -6.292 1.00 72.22 H new ATOM 0 HD21 LEU A 108 1.418 -4.337 -8.226 1.00 13.50 H new ATOM 0 HD22 LEU A 108 3.143 -3.961 -8.005 1.00 13.50 H new ATOM 0 HD23 LEU A 108 2.564 -5.632 -7.806 1.00 13.50 H new ATOM 1811 N TRP A 109 1.663 -7.503 -5.589 1.00 52.54 N ATOM 1812 CA TRP A 109 0.454 -8.238 -5.248 1.00 33.24 C ATOM 1813 C TRP A 109 0.799 -9.501 -4.463 1.00 62.44 C ATOM 1814 O TRP A 109 0.241 -9.746 -3.396 1.00 55.44 O ATOM 1815 CB TRP A 109 -0.327 -8.595 -6.516 1.00 1.32 C ATOM 1816 CG TRP A 109 -1.686 -9.162 -6.249 1.00 45.02 C ATOM 1817 CD1 TRP A 109 -2.806 -8.468 -5.888 1.00 62.30 C ATOM 1818 CD2 TRP A 109 -2.075 -10.540 -6.334 1.00 22.32 C ATOM 1819 NE1 TRP A 109 -3.867 -9.329 -5.740 1.00 11.41 N ATOM 1820 CE2 TRP A 109 -3.442 -10.606 -6.008 1.00 4.51 C ATOM 1821 CE3 TRP A 109 -1.399 -11.722 -6.652 1.00 42.12 C ATOM 1822 CZ2 TRP A 109 -4.146 -11.809 -5.996 1.00 52.25 C ATOM 1823 CZ3 TRP A 109 -2.099 -12.914 -6.640 1.00 33.40 C ATOM 1824 CH2 TRP A 109 -3.458 -12.949 -6.311 1.00 70.21 C ATOM 0 H TRP A 109 1.894 -7.504 -6.583 1.00 52.54 H new ATOM 0 HA TRP A 109 -0.171 -7.603 -4.621 1.00 33.24 H new ATOM 0 HB2 TRP A 109 -0.431 -7.701 -7.131 1.00 1.32 H new ATOM 0 HB3 TRP A 109 0.250 -9.316 -7.096 1.00 1.32 H new ATOM 0 HD1 TRP A 109 -2.851 -7.399 -5.740 1.00 62.30 H new ATOM 0 HE1 TRP A 109 -4.815 -9.062 -5.474 1.00 11.41 H new ATOM 0 HE3 TRP A 109 -0.349 -11.704 -6.903 1.00 42.12 H new ATOM 0 HZ2 TRP A 109 -5.196 -11.840 -5.747 1.00 52.25 H new ATOM 0 HZ3 TRP A 109 -1.588 -13.833 -6.889 1.00 33.40 H new ATOM 0 HH2 TRP A 109 -3.976 -13.897 -6.305 1.00 70.21 H new ATOM 1835 N ARG A 110 1.738 -10.285 -4.980 1.00 71.31 N ATOM 1836 CA ARG A 110 2.146 -11.520 -4.317 1.00 52.11 C ATOM 1837 C ARG A 110 2.930 -11.216 -3.043 1.00 73.23 C ATOM 1838 O ARG A 110 2.851 -11.958 -2.064 1.00 51.34 O ATOM 1839 CB ARG A 110 2.959 -12.395 -5.273 1.00 55.44 C ATOM 1840 CG ARG A 110 3.475 -13.685 -4.651 1.00 60.12 C ATOM 1841 CD ARG A 110 3.532 -14.811 -5.671 1.00 52.42 C ATOM 1842 NE ARG A 110 4.255 -14.436 -6.886 1.00 3.51 N ATOM 1843 CZ ARG A 110 3.945 -14.889 -8.104 1.00 62.44 C ATOM 1844 NH1 ARG A 110 2.952 -15.756 -8.261 1.00 51.34 N ATOM 1845 NH2 ARG A 110 4.631 -14.477 -9.163 1.00 25.42 N ATOM 0 H ARG A 110 2.230 -10.090 -5.852 1.00 71.31 H new ATOM 0 HA ARG A 110 1.251 -12.073 -4.031 1.00 52.11 H new ATOM 0 HB2 ARG A 110 2.341 -12.643 -6.136 1.00 55.44 H new ATOM 0 HB3 ARG A 110 3.807 -11.819 -5.643 1.00 55.44 H new ATOM 0 HG2 ARG A 110 4.469 -13.518 -4.236 1.00 60.12 H new ATOM 0 HG3 ARG A 110 2.828 -13.975 -3.823 1.00 60.12 H new ATOM 0 HD2 ARG A 110 4.012 -15.680 -5.221 1.00 52.42 H new ATOM 0 HD3 ARG A 110 2.517 -15.109 -5.934 1.00 52.42 H new ATOM 0 HE ARG A 110 5.041 -13.792 -6.798 1.00 3.51 H new ATOM 0 HH11 ARG A 110 2.423 -16.078 -7.450 1.00 51.34 H new ATOM 0 HH12 ARG A 110 2.718 -16.100 -9.192 1.00 51.34 H new ATOM 0 HH21 ARG A 110 5.397 -13.813 -9.048 1.00 25.42 H new ATOM 0 HH22 ARG A 110 4.392 -14.824 -10.092 1.00 25.42 H new ATOM 1859 N ARG A 111 3.666 -10.114 -3.050 1.00 63.33 N ATOM 1860 CA ARG A 111 4.354 -9.650 -1.852 1.00 53.42 C ATOM 1861 C ARG A 111 3.336 -9.334 -0.759 1.00 54.15 C ATOM 1862 O ARG A 111 3.580 -9.567 0.426 1.00 11.23 O ATOM 1863 CB ARG A 111 5.196 -8.408 -2.165 1.00 0.42 C ATOM 1864 CG ARG A 111 5.926 -7.832 -0.957 1.00 10.11 C ATOM 1865 CD ARG A 111 6.873 -8.842 -0.334 1.00 30.30 C ATOM 1866 NE ARG A 111 7.865 -9.331 -1.290 1.00 62.13 N ATOM 1867 CZ ARG A 111 8.639 -10.393 -1.073 1.00 60.51 C ATOM 1868 NH1 ARG A 111 8.567 -11.050 0.078 1.00 60.04 N ATOM 1869 NH2 ARG A 111 9.497 -10.786 -2.005 1.00 51.34 N ATOM 0 H ARG A 111 3.803 -9.524 -3.871 1.00 63.33 H new ATOM 0 HA ARG A 111 5.020 -10.439 -1.502 1.00 53.42 H new ATOM 0 HB2 ARG A 111 5.928 -8.662 -2.932 1.00 0.42 H new ATOM 0 HB3 ARG A 111 4.548 -7.639 -2.585 1.00 0.42 H new ATOM 0 HG2 ARG A 111 6.486 -6.947 -1.259 1.00 10.11 H new ATOM 0 HG3 ARG A 111 5.198 -7.509 -0.213 1.00 10.11 H new ATOM 0 HD2 ARG A 111 7.383 -8.385 0.514 1.00 30.30 H new ATOM 0 HD3 ARG A 111 6.300 -9.684 0.055 1.00 30.30 H new ATOM 0 HE ARG A 111 7.970 -8.831 -2.173 1.00 62.13 H new ATOM 0 HH11 ARG A 111 7.917 -10.742 0.801 1.00 60.04 H new ATOM 0 HH12 ARG A 111 9.162 -11.863 0.239 1.00 60.04 H new ATOM 0 HH21 ARG A 111 9.563 -10.275 -2.885 1.00 51.34 H new ATOM 0 HH22 ARG A 111 10.091 -11.599 -1.841 1.00 51.34 H new ATOM 1883 N HIS A 112 2.183 -8.818 -1.169 1.00 74.40 N ATOM 1884 CA HIS A 112 1.126 -8.470 -0.234 1.00 40.30 C ATOM 1885 C HIS A 112 0.310 -9.706 0.140 1.00 32.14 C ATOM 1886 O HIS A 112 -0.416 -9.696 1.129 1.00 61.24 O ATOM 1887 CB HIS A 112 0.220 -7.385 -0.830 1.00 32.40 C ATOM 1888 CG HIS A 112 -0.790 -6.840 0.135 1.00 3.54 C ATOM 1889 ND1 HIS A 112 -2.124 -6.688 -0.178 1.00 53.22 N ATOM 1890 CD2 HIS A 112 -0.650 -6.396 1.408 1.00 42.25 C ATOM 1891 CE1 HIS A 112 -2.760 -6.172 0.859 1.00 10.31 C ATOM 1892 NE2 HIS A 112 -1.891 -5.986 1.836 1.00 70.30 N ATOM 0 H HIS A 112 1.958 -8.632 -2.146 1.00 74.40 H new ATOM 0 HA HIS A 112 1.584 -8.077 0.673 1.00 40.30 H new ATOM 0 HB2 HIS A 112 0.841 -6.566 -1.192 1.00 32.40 H new ATOM 0 HB3 HIS A 112 -0.302 -7.796 -1.694 1.00 32.40 H new ATOM 0 HD2 HIS A 112 0.266 -6.369 1.980 1.00 42.25 H new ATOM 0 HE1 HIS A 112 -3.814 -5.941 0.901 1.00 10.31 H new ATOM 0 HE2 HIS A 112 -2.105 -5.602 2.756 1.00 70.30 H new ATOM 1901 N CYS A 113 0.424 -10.759 -0.662 1.00 61.11 N ATOM 1902 CA CYS A 113 -0.209 -12.033 -0.338 1.00 55.02 C ATOM 1903 C CYS A 113 0.532 -12.691 0.819 1.00 33.53 C ATOM 1904 O CYS A 113 -0.079 -13.280 1.714 1.00 63.22 O ATOM 1905 CB CYS A 113 -0.216 -12.963 -1.552 1.00 71.24 C ATOM 1906 SG CYS A 113 -1.166 -12.341 -2.957 1.00 71.02 S ATOM 0 H CYS A 113 0.947 -10.756 -1.538 1.00 61.11 H new ATOM 0 HA CYS A 113 -1.243 -11.845 -0.049 1.00 55.02 H new ATOM 0 HB2 CYS A 113 0.812 -13.134 -1.870 1.00 71.24 H new ATOM 0 HB3 CYS A 113 -0.622 -13.929 -1.253 1.00 71.24 H new ATOM 0 HG CYS A 113 -0.688 -11.191 -3.329 1.00 71.02 H new ATOM 1912 N ARG A 114 1.858 -12.579 0.789 1.00 22.24 N ATOM 1913 CA ARG A 114 2.692 -13.048 1.884 1.00 0.34 C ATOM 1914 C ARG A 114 2.349 -12.288 3.159 1.00 2.52 C ATOM 1915 O ARG A 114 1.994 -12.892 4.175 1.00 20.24 O ATOM 1916 CB ARG A 114 4.179 -12.883 1.540 1.00 52.23 C ATOM 1917 CG ARG A 114 5.106 -13.013 2.738 1.00 65.34 C ATOM 1918 CD ARG A 114 4.935 -14.347 3.449 1.00 72.41 C ATOM 1919 NE ARG A 114 5.583 -14.349 4.758 1.00 64.34 N ATOM 1920 CZ ARG A 114 5.345 -15.252 5.707 1.00 2.23 C ATOM 1921 NH1 ARG A 114 4.496 -16.246 5.487 1.00 12.24 N ATOM 1922 NH2 ARG A 114 5.946 -15.155 6.885 1.00 31.22 N ATOM 0 H ARG A 114 2.376 -12.165 0.014 1.00 22.24 H new ATOM 0 HA ARG A 114 2.498 -14.109 2.044 1.00 0.34 H new ATOM 0 HB2 ARG A 114 4.455 -13.631 0.796 1.00 52.23 H new ATOM 0 HB3 ARG A 114 4.329 -11.906 1.081 1.00 52.23 H new ATOM 0 HG2 ARG A 114 6.140 -12.907 2.409 1.00 65.34 H new ATOM 0 HG3 ARG A 114 4.909 -12.201 3.438 1.00 65.34 H new ATOM 0 HD2 ARG A 114 3.873 -14.562 3.568 1.00 72.41 H new ATOM 0 HD3 ARG A 114 5.354 -15.143 2.834 1.00 72.41 H new ATOM 0 HE ARG A 114 6.260 -13.613 4.958 1.00 64.34 H new ATOM 0 HH11 ARG A 114 4.022 -16.322 4.587 1.00 12.24 H new ATOM 0 HH12 ARG A 114 4.317 -16.935 6.217 1.00 12.24 H new ATOM 0 HH21 ARG A 114 6.593 -14.387 7.066 1.00 31.22 H new ATOM 0 HH22 ARG A 114 5.762 -15.848 7.610 1.00 31.22 H new ATOM 1936 N LEU A 115 2.428 -10.962 3.095 1.00 14.43 N ATOM 1937 CA LEU A 115 2.088 -10.131 4.242 1.00 21.42 C ATOM 1938 C LEU A 115 0.574 -9.986 4.343 1.00 35.31 C ATOM 1939 O LEU A 115 0.013 -8.895 4.201 1.00 73.34 O ATOM 1940 CB LEU A 115 2.747 -8.757 4.150 1.00 72.52 C ATOM 1941 CG LEU A 115 2.727 -7.965 5.455 1.00 41.43 C ATOM 1942 CD1 LEU A 115 3.641 -8.611 6.483 1.00 11.14 C ATOM 1943 CD2 LEU A 115 3.128 -6.520 5.212 1.00 3.20 C ATOM 0 H LEU A 115 2.722 -10.444 2.267 1.00 14.43 H new ATOM 0 HA LEU A 115 2.465 -10.619 5.141 1.00 21.42 H new ATOM 0 HB2 LEU A 115 3.781 -8.883 3.830 1.00 72.52 H new ATOM 0 HB3 LEU A 115 2.243 -8.176 3.378 1.00 72.52 H new ATOM 0 HG LEU A 115 1.710 -7.973 5.847 1.00 41.43 H new ATOM 0 HD11 LEU A 115 3.615 -8.034 7.407 1.00 11.14 H new ATOM 0 HD12 LEU A 115 3.304 -9.628 6.681 1.00 11.14 H new ATOM 0 HD13 LEU A 115 4.661 -8.635 6.099 1.00 11.14 H new ATOM 0 HD21 LEU A 115 3.107 -5.973 6.155 1.00 3.20 H new ATOM 0 HD22 LEU A 115 4.135 -6.487 4.795 1.00 3.20 H new ATOM 0 HD23 LEU A 115 2.430 -6.062 4.511 1.00 3.20 H new ATOM 1955 N ALA A 116 -0.070 -11.117 4.556 1.00 13.23 N ATOM 1956 CA ALA A 116 -1.513 -11.202 4.670 1.00 40.21 C ATOM 1957 C ALA A 116 -1.889 -12.544 5.271 1.00 34.42 C ATOM 1958 O ALA A 116 -2.857 -12.659 6.022 1.00 14.34 O ATOM 1959 CB ALA A 116 -2.174 -11.037 3.309 1.00 11.12 C ATOM 0 H ALA A 116 0.401 -12.016 4.656 1.00 13.23 H new ATOM 0 HA ALA A 116 -1.864 -10.398 5.317 1.00 40.21 H new ATOM 0 HB1 ALA A 116 -3.256 -11.104 3.420 1.00 11.12 H new ATOM 0 HB2 ALA A 116 -1.912 -10.064 2.893 1.00 11.12 H new ATOM 0 HB3 ALA A 116 -1.828 -11.824 2.639 1.00 11.12 H new ATOM 1965 N ARG A 117 -1.125 -13.568 4.911 1.00 74.53 N ATOM 1966 CA ARG A 117 -1.307 -14.893 5.481 1.00 63.31 C ATOM 1967 C ARG A 117 -0.265 -15.154 6.562 1.00 61.14 C ATOM 1968 O ARG A 117 -0.428 -16.048 7.392 1.00 54.12 O ATOM 1969 CB ARG A 117 -1.216 -15.960 4.387 1.00 34.24 C ATOM 1970 CG ARG A 117 -2.262 -15.817 3.291 1.00 2.32 C ATOM 1971 CD ARG A 117 -3.681 -16.050 3.806 1.00 14.33 C ATOM 1972 NE ARG A 117 -4.145 -14.979 4.692 1.00 63.41 N ATOM 1973 CZ ARG A 117 -5.268 -15.037 5.408 1.00 14.13 C ATOM 1974 NH1 ARG A 117 -6.048 -16.112 5.343 1.00 5.41 N ATOM 1975 NH2 ARG A 117 -5.606 -14.020 6.192 1.00 70.43 N ATOM 0 H ARG A 117 -0.373 -13.504 4.225 1.00 74.53 H new ATOM 0 HA ARG A 117 -2.297 -14.942 5.934 1.00 63.31 H new ATOM 0 HB2 ARG A 117 -0.225 -15.919 3.936 1.00 34.24 H new ATOM 0 HB3 ARG A 117 -1.317 -16.944 4.845 1.00 34.24 H new ATOM 0 HG2 ARG A 117 -2.195 -14.819 2.857 1.00 2.32 H new ATOM 0 HG3 ARG A 117 -2.047 -16.527 2.493 1.00 2.32 H new ATOM 0 HD2 ARG A 117 -4.361 -16.135 2.958 1.00 14.33 H new ATOM 0 HD3 ARG A 117 -3.718 -16.999 4.340 1.00 14.33 H new ATOM 0 HE ARG A 117 -3.574 -14.137 4.765 1.00 63.41 H new ATOM 0 HH11 ARG A 117 -5.788 -16.895 4.744 1.00 5.41 H new ATOM 0 HH12 ARG A 117 -6.907 -16.153 5.892 1.00 5.41 H new ATOM 0 HH21 ARG A 117 -5.007 -13.196 6.246 1.00 70.43 H new ATOM 0 HH22 ARG A 117 -6.465 -14.062 6.741 1.00 70.43 H new