USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=13 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 77 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Set 1.2: A 78 HIS : no HD1:sc= 0 X(o=-1.1,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= 0.857 K(o=0.86,f=-0.016) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.05! X(o=-1.1!,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.88) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.507 USER MOD Single : A 32 GLN : amide:sc= -0.386 K(o=-0.39,f=-0.98) USER MOD Single : A 34 THR OG1 : rot -25:sc= 0.857 USER MOD Single : A 40 ASN : amide:sc= 1.48 K(o=1.5,f=-9.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.097 (180deg=-0.504) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0319) USER MOD Single : A 55 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5.7!) USER MOD Single : A 60 HIS : no HD1:sc= -0.0475 X(o=-0.047,f=-0.068) USER MOD Single : A 63 ASN : amide:sc= 0.341 K(o=0.34,f=-8.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -80:sc= 0.799 USER MOD Single : A 72 SER OG : rot 86:sc= 1.2 USER MOD Single : A 83 MET CE :methyl 180:sc= -0.0132 (180deg=-0.0132) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0367) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -144:sc= -0.0651 (180deg=-0.328) USER MOD Single : A 112 HIS : no HD1:sc= 0.182 K(o=0.19,f=-3.4!) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.692 7.146 10.771 1.00 71.32 N ATOM 281 CA GLN A 17 -4.993 5.895 10.496 1.00 13.10 C ATOM 282 C GLN A 17 -3.656 6.127 9.786 1.00 31.34 C ATOM 283 O GLN A 17 -2.670 5.451 10.074 1.00 44.41 O ATOM 284 CB GLN A 17 -5.892 4.967 9.669 1.00 43.04 C ATOM 285 CG GLN A 17 -6.212 5.493 8.277 1.00 24.12 C ATOM 286 CD GLN A 17 -7.316 4.712 7.592 1.00 32.00 C ATOM 287 OE1 GLN A 17 -8.492 5.077 7.663 1.00 2.42 O ATOM 288 NE2 GLN A 17 -6.953 3.620 6.947 1.00 1.45 N ATOM 0 HA GLN A 17 -4.768 5.421 11.451 1.00 13.10 H new ATOM 0 HB2 GLN A 17 -5.406 3.996 9.576 1.00 43.04 H new ATOM 0 HB3 GLN A 17 -6.825 4.806 10.209 1.00 43.04 H new ATOM 0 HG2 GLN A 17 -6.505 6.541 8.348 1.00 24.12 H new ATOM 0 HG3 GLN A 17 -5.312 5.455 7.664 1.00 24.12 H new ATOM 0 HE21 GLN A 17 -5.970 3.352 6.911 1.00 1.45 H new ATOM 0 HE22 GLN A 17 -7.656 3.044 6.484 1.00 1.45 H new ATOM 297 N PHE A 18 -3.614 7.107 8.889 1.00 35.22 N ATOM 298 CA PHE A 18 -2.410 7.378 8.109 1.00 75.22 C ATOM 299 C PHE A 18 -1.274 7.845 9.014 1.00 51.03 C ATOM 300 O PHE A 18 -0.118 7.473 8.823 1.00 15.52 O ATOM 301 CB PHE A 18 -2.704 8.424 7.029 1.00 74.01 C ATOM 302 CG PHE A 18 -1.526 8.748 6.148 1.00 62.51 C ATOM 303 CD1 PHE A 18 -1.133 7.874 5.146 1.00 72.25 C ATOM 304 CD2 PHE A 18 -0.810 9.922 6.326 1.00 5.31 C ATOM 305 CE1 PHE A 18 -0.051 8.165 4.338 1.00 31.01 C ATOM 306 CE2 PHE A 18 0.274 10.218 5.520 1.00 71.41 C ATOM 307 CZ PHE A 18 0.655 9.339 4.526 1.00 74.12 C ATOM 0 H PHE A 18 -4.398 7.726 8.684 1.00 35.22 H new ATOM 0 HA PHE A 18 -2.097 6.454 7.623 1.00 75.22 H new ATOM 0 HB2 PHE A 18 -3.523 8.066 6.405 1.00 74.01 H new ATOM 0 HB3 PHE A 18 -3.047 9.340 7.510 1.00 74.01 H new ATOM 0 HD1 PHE A 18 -1.679 6.955 4.995 1.00 72.25 H new ATOM 0 HD2 PHE A 18 -1.102 10.613 7.103 1.00 5.31 H new ATOM 0 HE1 PHE A 18 0.243 7.476 3.560 1.00 31.01 H new ATOM 0 HE2 PHE A 18 0.822 11.137 5.668 1.00 71.41 H new ATOM 0 HZ PHE A 18 1.502 9.568 3.897 1.00 74.12 H new ATOM 317 N THR A 19 -1.621 8.632 10.020 1.00 14.45 N ATOM 318 CA THR A 19 -0.643 9.151 10.964 1.00 15.31 C ATOM 319 C THR A 19 -0.143 8.037 11.888 1.00 45.33 C ATOM 320 O THR A 19 0.874 8.183 12.570 1.00 32.32 O ATOM 321 CB THR A 19 -1.255 10.289 11.812 1.00 1.43 C ATOM 322 OG1 THR A 19 -2.042 11.155 10.980 1.00 12.25 O ATOM 323 CG2 THR A 19 -0.171 11.109 12.497 1.00 0.34 C ATOM 0 H THR A 19 -2.580 8.927 10.205 1.00 14.45 H new ATOM 0 HA THR A 19 0.198 9.545 10.393 1.00 15.31 H new ATOM 0 HB THR A 19 -1.885 9.833 12.575 1.00 1.43 H new ATOM 0 HG1 THR A 19 -2.427 11.872 11.526 1.00 12.25 H new ATOM 0 HG21 THR A 19 -0.632 11.902 13.086 1.00 0.34 H new ATOM 0 HG22 THR A 19 0.414 10.464 13.152 1.00 0.34 H new ATOM 0 HG23 THR A 19 0.482 11.550 11.744 1.00 0.34 H new ATOM 331 N PHE A 20 -0.853 6.916 11.893 1.00 54.51 N ATOM 332 CA PHE A 20 -0.519 5.803 12.768 1.00 24.50 C ATOM 333 C PHE A 20 0.268 4.729 12.014 1.00 24.34 C ATOM 334 O PHE A 20 1.326 4.289 12.465 1.00 34.04 O ATOM 335 CB PHE A 20 -1.802 5.210 13.357 1.00 32.45 C ATOM 336 CG PHE A 20 -1.569 4.127 14.375 1.00 54.34 C ATOM 337 CD1 PHE A 20 -1.242 4.450 15.682 1.00 40.40 C ATOM 338 CD2 PHE A 20 -1.686 2.789 14.028 1.00 24.24 C ATOM 339 CE1 PHE A 20 -1.037 3.461 16.624 1.00 44.43 C ATOM 340 CE2 PHE A 20 -1.481 1.796 14.966 1.00 11.14 C ATOM 341 CZ PHE A 20 -1.155 2.133 16.266 1.00 40.33 C ATOM 0 H PHE A 20 -1.666 6.755 11.298 1.00 54.51 H new ATOM 0 HA PHE A 20 0.111 6.172 13.577 1.00 24.50 H new ATOM 0 HB2 PHE A 20 -2.380 6.010 13.820 1.00 32.45 H new ATOM 0 HB3 PHE A 20 -2.408 4.807 12.546 1.00 32.45 H new ATOM 0 HD1 PHE A 20 -1.146 5.487 15.968 1.00 40.40 H new ATOM 0 HD2 PHE A 20 -1.940 2.521 13.013 1.00 24.24 H new ATOM 0 HE1 PHE A 20 -0.785 3.726 17.640 1.00 44.43 H new ATOM 0 HE2 PHE A 20 -1.575 0.758 14.684 1.00 11.14 H new ATOM 0 HZ PHE A 20 -0.993 1.358 17.001 1.00 40.33 H new ATOM 351 N VAL A 21 -0.243 4.327 10.854 1.00 21.11 N ATOM 352 CA VAL A 21 0.357 3.235 10.087 1.00 54.43 C ATOM 353 C VAL A 21 1.698 3.634 9.474 1.00 21.54 C ATOM 354 O VAL A 21 2.539 2.779 9.199 1.00 53.02 O ATOM 355 CB VAL A 21 -0.584 2.733 8.965 1.00 75.50 C ATOM 356 CG1 VAL A 21 -1.888 2.215 9.552 1.00 24.01 C ATOM 357 CG2 VAL A 21 -0.850 3.823 7.934 1.00 10.23 C ATOM 0 H VAL A 21 -1.070 4.739 10.423 1.00 21.11 H new ATOM 0 HA VAL A 21 0.523 2.427 10.799 1.00 54.43 H new ATOM 0 HB VAL A 21 -0.085 1.910 8.454 1.00 75.50 H new ATOM 0 HG11 VAL A 21 -2.536 1.867 8.748 1.00 24.01 H new ATOM 0 HG12 VAL A 21 -1.678 1.390 10.232 1.00 24.01 H new ATOM 0 HG13 VAL A 21 -2.386 3.017 10.097 1.00 24.01 H new ATOM 0 HG21 VAL A 21 -1.514 3.438 7.160 1.00 10.23 H new ATOM 0 HG22 VAL A 21 -1.318 4.678 8.421 1.00 10.23 H new ATOM 0 HG23 VAL A 21 0.092 4.134 7.482 1.00 10.23 H new ATOM 367 N PHE A 22 1.903 4.932 9.284 1.00 74.23 N ATOM 368 CA PHE A 22 3.109 5.427 8.629 1.00 54.31 C ATOM 369 C PHE A 22 4.281 5.500 9.612 1.00 34.11 C ATOM 370 O PHE A 22 5.428 5.710 9.212 1.00 10.52 O ATOM 371 CB PHE A 22 2.836 6.807 8.015 1.00 32.40 C ATOM 372 CG PHE A 22 3.910 7.297 7.084 1.00 25.23 C ATOM 373 CD1 PHE A 22 4.069 6.726 5.832 1.00 35.01 C ATOM 374 CD2 PHE A 22 4.761 8.325 7.462 1.00 4.11 C ATOM 375 CE1 PHE A 22 5.051 7.177 4.969 1.00 21.41 C ATOM 376 CE2 PHE A 22 5.745 8.778 6.603 1.00 50.43 C ATOM 377 CZ PHE A 22 5.893 8.200 5.357 1.00 73.30 C ATOM 0 H PHE A 22 1.251 5.661 9.574 1.00 74.23 H new ATOM 0 HA PHE A 22 3.383 4.730 7.837 1.00 54.31 H new ATOM 0 HB2 PHE A 22 1.891 6.769 7.472 1.00 32.40 H new ATOM 0 HB3 PHE A 22 2.712 7.531 8.820 1.00 32.40 H new ATOM 0 HD1 PHE A 22 3.419 5.920 5.526 1.00 35.01 H new ATOM 0 HD2 PHE A 22 4.654 8.776 8.437 1.00 4.11 H new ATOM 0 HE1 PHE A 22 5.159 6.729 3.992 1.00 21.41 H new ATOM 0 HE2 PHE A 22 6.398 9.583 6.906 1.00 50.43 H new ATOM 0 HZ PHE A 22 6.666 8.548 4.688 1.00 73.30 H new ATOM 387 N GLN A 23 3.993 5.313 10.896 1.00 24.04 N ATOM 388 CA GLN A 23 5.025 5.373 11.928 1.00 43.43 C ATOM 389 C GLN A 23 6.049 4.255 11.747 1.00 42.24 C ATOM 390 O GLN A 23 7.216 4.511 11.444 1.00 41.35 O ATOM 391 CB GLN A 23 4.394 5.290 13.319 1.00 21.41 C ATOM 392 CG GLN A 23 3.506 6.477 13.650 1.00 14.32 C ATOM 393 CD GLN A 23 2.807 6.337 14.988 1.00 33.21 C ATOM 394 OE1 GLN A 23 3.316 5.697 15.910 1.00 21.24 O ATOM 395 NE2 GLN A 23 1.636 6.942 15.099 1.00 20.00 N ATOM 0 H GLN A 23 3.055 5.119 11.248 1.00 24.04 H new ATOM 0 HA GLN A 23 5.542 6.328 11.831 1.00 43.43 H new ATOM 0 HB2 GLN A 23 3.806 4.375 13.389 1.00 21.41 H new ATOM 0 HB3 GLN A 23 5.185 5.218 14.065 1.00 21.41 H new ATOM 0 HG2 GLN A 23 4.109 7.385 13.654 1.00 14.32 H new ATOM 0 HG3 GLN A 23 2.758 6.594 12.866 1.00 14.32 H new ATOM 0 HE21 GLN A 23 1.253 7.461 14.309 1.00 20.00 H new ATOM 0 HE22 GLN A 23 1.116 6.890 15.975 1.00 20.00 H new ATOM 404 N GLN A 24 5.610 3.017 11.918 1.00 35.50 N ATOM 405 CA GLN A 24 6.484 1.864 11.740 1.00 44.42 C ATOM 406 C GLN A 24 5.858 0.861 10.775 1.00 12.33 C ATOM 407 O GLN A 24 5.281 -0.139 11.199 1.00 44.52 O ATOM 408 CB GLN A 24 6.767 1.184 13.084 1.00 40.31 C ATOM 409 CG GLN A 24 7.549 2.042 14.066 1.00 25.35 C ATOM 410 CD GLN A 24 7.852 1.309 15.358 1.00 21.32 C ATOM 411 OE1 GLN A 24 8.878 0.638 15.482 1.00 63.10 O ATOM 412 NE2 GLN A 24 6.969 1.434 16.335 1.00 50.15 N ATOM 0 H GLN A 24 4.652 2.783 12.180 1.00 35.50 H new ATOM 0 HA GLN A 24 7.426 2.218 11.321 1.00 44.42 H new ATOM 0 HB2 GLN A 24 5.819 0.901 13.542 1.00 40.31 H new ATOM 0 HB3 GLN A 24 7.321 0.263 12.903 1.00 40.31 H new ATOM 0 HG2 GLN A 24 8.484 2.359 13.603 1.00 25.35 H new ATOM 0 HG3 GLN A 24 6.981 2.945 14.288 1.00 25.35 H new ATOM 0 HE21 GLN A 24 6.131 1.998 16.196 1.00 50.15 H new ATOM 0 HE22 GLN A 24 7.126 0.966 17.228 1.00 50.15 H new ATOM 421 N PRO A 25 5.928 1.136 9.462 1.00 53.12 N ATOM 422 CA PRO A 25 5.350 0.281 8.438 1.00 24.03 C ATOM 423 C PRO A 25 6.363 -0.686 7.822 1.00 72.42 C ATOM 424 O PRO A 25 7.574 -0.536 7.996 1.00 22.02 O ATOM 425 CB PRO A 25 4.894 1.308 7.403 1.00 15.51 C ATOM 426 CG PRO A 25 5.895 2.420 7.495 1.00 71.31 C ATOM 427 CD PRO A 25 6.552 2.324 8.857 1.00 24.41 C ATOM 0 HA PRO A 25 4.564 -0.367 8.826 1.00 24.03 H new ATOM 0 HB2 PRO A 25 4.873 0.877 6.402 1.00 15.51 H new ATOM 0 HB3 PRO A 25 3.887 1.665 7.618 1.00 15.51 H new ATOM 0 HG2 PRO A 25 6.639 2.334 6.703 1.00 71.31 H new ATOM 0 HG3 PRO A 25 5.408 3.387 7.371 1.00 71.31 H new ATOM 0 HD2 PRO A 25 7.633 2.210 8.773 1.00 24.41 H new ATOM 0 HD3 PRO A 25 6.371 3.219 9.453 1.00 24.41 H new ATOM 435 N GLN A 26 5.856 -1.684 7.108 1.00 1.22 N ATOM 436 CA GLN A 26 6.707 -2.621 6.389 1.00 53.42 C ATOM 437 C GLN A 26 6.741 -2.264 4.909 1.00 31.52 C ATOM 438 O GLN A 26 5.697 -2.130 4.269 1.00 20.13 O ATOM 439 CB GLN A 26 6.222 -4.061 6.577 1.00 71.11 C ATOM 440 CG GLN A 26 6.467 -4.602 7.977 1.00 52.42 C ATOM 441 CD GLN A 26 7.937 -4.596 8.350 1.00 4.42 C ATOM 442 OE1 GLN A 26 8.810 -4.741 7.494 1.00 63.23 O ATOM 443 NE2 GLN A 26 8.222 -4.428 9.629 1.00 71.14 N ATOM 0 H GLN A 26 4.857 -1.864 7.012 1.00 1.22 H new ATOM 0 HA GLN A 26 7.715 -2.549 6.796 1.00 53.42 H new ATOM 0 HB2 GLN A 26 5.155 -4.109 6.358 1.00 71.11 H new ATOM 0 HB3 GLN A 26 6.725 -4.703 5.854 1.00 71.11 H new ATOM 0 HG2 GLN A 26 5.910 -4.003 8.698 1.00 52.42 H new ATOM 0 HG3 GLN A 26 6.082 -5.620 8.043 1.00 52.42 H new ATOM 0 HE21 GLN A 26 7.470 -4.311 10.308 1.00 71.14 H new ATOM 0 HE22 GLN A 26 9.194 -4.415 9.937 1.00 71.14 H new ATOM 452 N ARG A 27 7.945 -2.091 4.386 1.00 44.24 N ATOM 453 CA ARG A 27 8.141 -1.694 2.999 1.00 74.35 C ATOM 454 C ARG A 27 7.808 -2.852 2.059 1.00 3.42 C ATOM 455 O ARG A 27 8.579 -3.803 1.929 1.00 55.44 O ATOM 456 CB ARG A 27 9.595 -1.235 2.797 1.00 2.03 C ATOM 457 CG ARG A 27 9.807 -0.285 1.621 1.00 31.12 C ATOM 458 CD ARG A 27 9.642 -0.973 0.273 1.00 40.44 C ATOM 459 NE ARG A 27 10.624 -2.036 0.068 1.00 24.01 N ATOM 460 CZ ARG A 27 10.521 -2.963 -0.881 1.00 32.02 C ATOM 461 NH1 ARG A 27 9.481 -2.955 -1.705 1.00 53.41 N ATOM 462 NH2 ARG A 27 11.451 -3.895 -1.012 1.00 42.15 N ATOM 0 H ARG A 27 8.811 -2.221 4.908 1.00 44.24 H new ATOM 0 HA ARG A 27 7.471 -0.867 2.766 1.00 74.35 H new ATOM 0 HB2 ARG A 27 9.937 -0.745 3.709 1.00 2.03 H new ATOM 0 HB3 ARG A 27 10.223 -2.115 2.654 1.00 2.03 H new ATOM 0 HG2 ARG A 27 9.098 0.539 1.693 1.00 31.12 H new ATOM 0 HG3 ARG A 27 10.806 0.147 1.684 1.00 31.12 H new ATOM 0 HD2 ARG A 27 8.638 -1.391 0.201 1.00 40.44 H new ATOM 0 HD3 ARG A 27 9.738 -0.235 -0.523 1.00 40.44 H new ATOM 0 HE ARG A 27 11.434 -2.069 0.687 1.00 24.01 H new ATOM 0 HH11 ARG A 27 8.761 -2.239 -1.611 1.00 53.41 H new ATOM 0 HH12 ARG A 27 9.401 -3.665 -2.433 1.00 53.41 H new ATOM 0 HH21 ARG A 27 12.254 -3.906 -0.383 1.00 42.15 H new ATOM 0 HH22 ARG A 27 11.365 -4.602 -1.742 1.00 42.15 H new ATOM 476 N ALA A 28 6.648 -2.775 1.426 1.00 2.54 N ATOM 477 CA ALA A 28 6.246 -3.766 0.441 1.00 21.34 C ATOM 478 C ALA A 28 6.206 -3.142 -0.949 1.00 32.12 C ATOM 479 O ALA A 28 6.446 -1.941 -1.106 1.00 53.33 O ATOM 480 CB ALA A 28 4.894 -4.361 0.806 1.00 74.13 C ATOM 0 H ALA A 28 5.965 -2.032 1.578 1.00 2.54 H new ATOM 0 HA ALA A 28 6.980 -4.571 0.435 1.00 21.34 H new ATOM 0 HB1 ALA A 28 4.608 -5.101 0.058 1.00 74.13 H new ATOM 0 HB2 ALA A 28 4.959 -4.839 1.783 1.00 74.13 H new ATOM 0 HB3 ALA A 28 4.145 -3.570 0.838 1.00 74.13 H new ATOM 486 N GLY A 29 5.911 -3.955 -1.954 1.00 12.12 N ATOM 487 CA GLY A 29 5.848 -3.455 -3.314 1.00 70.30 C ATOM 488 C GLY A 29 7.228 -3.282 -3.917 1.00 61.05 C ATOM 489 O GLY A 29 8.065 -4.179 -3.827 1.00 23.01 O ATOM 0 H GLY A 29 5.714 -4.951 -1.853 1.00 12.12 H new ATOM 0 HA2 GLY A 29 5.267 -4.144 -3.928 1.00 70.30 H new ATOM 0 HA3 GLY A 29 5.324 -2.499 -3.326 1.00 70.30 H new ATOM 493 N THR A 30 7.474 -2.125 -4.510 1.00 31.01 N ATOM 494 CA THR A 30 8.762 -1.832 -5.123 1.00 43.13 C ATOM 495 C THR A 30 9.253 -0.452 -4.690 1.00 72.30 C ATOM 496 O THR A 30 8.508 0.304 -4.063 1.00 74.31 O ATOM 497 CB THR A 30 8.668 -1.880 -6.666 1.00 33.55 C ATOM 498 OG1 THR A 30 7.615 -1.027 -7.122 1.00 21.40 O ATOM 499 CG2 THR A 30 8.422 -3.297 -7.156 1.00 73.35 C ATOM 0 H THR A 30 6.794 -1.368 -4.581 1.00 31.01 H new ATOM 0 HA THR A 30 9.469 -2.592 -4.791 1.00 43.13 H new ATOM 0 HB THR A 30 9.619 -1.534 -7.071 1.00 33.55 H new ATOM 0 HG1 THR A 30 7.565 -1.063 -8.100 1.00 21.40 H new ATOM 0 HG21 THR A 30 8.360 -3.300 -8.244 1.00 73.35 H new ATOM 0 HG22 THR A 30 9.242 -3.940 -6.837 1.00 73.35 H new ATOM 0 HG23 THR A 30 7.486 -3.669 -6.739 1.00 73.35 H new ATOM 507 N PRO A 31 10.521 -0.107 -4.988 1.00 60.34 N ATOM 508 CA PRO A 31 11.034 1.252 -4.775 1.00 50.34 C ATOM 509 C PRO A 31 10.381 2.269 -5.716 1.00 14.22 C ATOM 510 O PRO A 31 10.621 3.471 -5.614 1.00 1.22 O ATOM 511 CB PRO A 31 12.531 1.127 -5.074 1.00 4.11 C ATOM 512 CG PRO A 31 12.651 -0.074 -5.947 1.00 33.31 C ATOM 513 CD PRO A 31 11.568 -1.016 -5.502 1.00 22.35 C ATOM 0 HA PRO A 31 10.822 1.614 -3.769 1.00 50.34 H new ATOM 0 HB2 PRO A 31 12.909 2.018 -5.575 1.00 4.11 H new ATOM 0 HB3 PRO A 31 13.108 1.008 -4.157 1.00 4.11 H new ATOM 0 HG2 PRO A 31 12.530 0.193 -6.997 1.00 33.31 H new ATOM 0 HG3 PRO A 31 13.634 -0.534 -5.846 1.00 33.31 H new ATOM 0 HD2 PRO A 31 11.202 -1.627 -6.327 1.00 22.35 H new ATOM 0 HD3 PRO A 31 11.921 -1.701 -4.731 1.00 22.35 H new ATOM 521 N GLN A 32 9.576 1.770 -6.650 1.00 3.32 N ATOM 522 CA GLN A 32 8.804 2.624 -7.545 1.00 0.05 C ATOM 523 C GLN A 32 7.420 2.865 -6.955 1.00 64.15 C ATOM 524 O GLN A 32 6.977 4.003 -6.816 1.00 3.33 O ATOM 525 CB GLN A 32 8.671 1.985 -8.934 1.00 32.34 C ATOM 526 CG GLN A 32 9.900 2.125 -9.830 1.00 12.10 C ATOM 527 CD GLN A 32 11.176 1.580 -9.211 1.00 25.13 C ATOM 528 OE1 GLN A 32 11.475 0.393 -9.320 1.00 3.44 O ATOM 529 NE2 GLN A 32 11.947 2.453 -8.577 1.00 65.31 N ATOM 0 H GLN A 32 9.442 0.771 -6.806 1.00 3.32 H new ATOM 0 HA GLN A 32 9.328 3.574 -7.653 1.00 0.05 H new ATOM 0 HB2 GLN A 32 8.450 0.925 -8.810 1.00 32.34 H new ATOM 0 HB3 GLN A 32 7.817 2.432 -9.442 1.00 32.34 H new ATOM 0 HG2 GLN A 32 9.713 1.606 -10.770 1.00 12.10 H new ATOM 0 HG3 GLN A 32 10.045 3.178 -10.070 1.00 12.10 H new ATOM 0 HE21 GLN A 32 11.662 3.430 -8.509 1.00 65.31 H new ATOM 0 HE22 GLN A 32 12.825 2.147 -8.157 1.00 65.31 H new ATOM 538 N ILE A 33 6.748 1.780 -6.603 1.00 51.44 N ATOM 539 CA ILE A 33 5.449 1.859 -5.960 1.00 41.41 C ATOM 540 C ILE A 33 5.490 1.100 -4.633 1.00 63.33 C ATOM 541 O ILE A 33 5.486 -0.134 -4.596 1.00 71.43 O ATOM 542 CB ILE A 33 4.318 1.330 -6.884 1.00 73.23 C ATOM 543 CG1 ILE A 33 2.987 1.259 -6.128 1.00 61.43 C ATOM 544 CG2 ILE A 33 4.676 -0.026 -7.481 1.00 41.55 C ATOM 545 CD1 ILE A 33 1.825 0.806 -6.986 1.00 74.43 C ATOM 0 H ILE A 33 7.085 0.829 -6.754 1.00 51.44 H new ATOM 0 HA ILE A 33 5.222 2.906 -5.760 1.00 41.41 H new ATOM 0 HB ILE A 33 4.206 2.035 -7.708 1.00 73.23 H new ATOM 0 HG12 ILE A 33 3.094 0.576 -5.285 1.00 61.43 H new ATOM 0 HG13 ILE A 33 2.761 2.242 -5.715 1.00 61.43 H new ATOM 0 HG21 ILE A 33 3.863 -0.367 -8.122 1.00 41.55 H new ATOM 0 HG22 ILE A 33 5.589 0.065 -8.070 1.00 41.55 H new ATOM 0 HG23 ILE A 33 4.832 -0.747 -6.679 1.00 41.55 H new ATOM 0 HD11 ILE A 33 0.917 0.780 -6.384 1.00 74.43 H new ATOM 0 HD12 ILE A 33 1.691 1.502 -7.814 1.00 74.43 H new ATOM 0 HD13 ILE A 33 2.029 -0.190 -7.378 1.00 74.43 H new ATOM 557 N THR A 34 5.572 1.848 -3.546 1.00 62.55 N ATOM 558 CA THR A 34 5.758 1.267 -2.230 1.00 61.21 C ATOM 559 C THR A 34 4.431 1.132 -1.494 1.00 75.52 C ATOM 560 O THR A 34 3.651 2.082 -1.416 1.00 50.22 O ATOM 561 CB THR A 34 6.725 2.130 -1.402 1.00 51.43 C ATOM 562 OG1 THR A 34 7.932 2.348 -2.145 1.00 23.33 O ATOM 563 CG2 THR A 34 7.059 1.465 -0.077 1.00 4.53 C ATOM 0 H THR A 34 5.512 2.866 -3.551 1.00 62.55 H new ATOM 0 HA THR A 34 6.181 0.271 -2.360 1.00 61.21 H new ATOM 0 HB THR A 34 6.238 3.083 -1.194 1.00 51.43 H new ATOM 0 HG1 THR A 34 8.056 1.620 -2.789 1.00 23.33 H new ATOM 0 HG21 THR A 34 7.744 2.099 0.486 1.00 4.53 H new ATOM 0 HG22 THR A 34 6.144 1.320 0.498 1.00 4.53 H new ATOM 0 HG23 THR A 34 7.528 0.499 -0.263 1.00 4.53 H new ATOM 571 N ILE A 35 4.180 -0.052 -0.964 1.00 60.14 N ATOM 572 CA ILE A 35 2.966 -0.310 -0.211 1.00 42.34 C ATOM 573 C ILE A 35 3.290 -0.433 1.272 1.00 71.34 C ATOM 574 O ILE A 35 4.118 -1.256 1.665 1.00 64.25 O ATOM 575 CB ILE A 35 2.264 -1.601 -0.692 1.00 44.42 C ATOM 576 CG1 ILE A 35 1.968 -1.518 -2.191 1.00 62.41 C ATOM 577 CG2 ILE A 35 0.980 -1.829 0.094 1.00 43.52 C ATOM 578 CD1 ILE A 35 1.366 -2.783 -2.761 1.00 4.41 C ATOM 0 H ILE A 35 4.805 -0.854 -1.042 1.00 60.14 H new ATOM 0 HA ILE A 35 2.290 0.529 -0.375 1.00 42.34 H new ATOM 0 HB ILE A 35 2.930 -2.446 -0.518 1.00 44.42 H new ATOM 0 HG12 ILE A 35 1.286 -0.687 -2.373 1.00 62.41 H new ATOM 0 HG13 ILE A 35 2.892 -1.294 -2.723 1.00 62.41 H new ATOM 0 HG21 ILE A 35 0.497 -2.741 -0.255 1.00 43.52 H new ATOM 0 HG22 ILE A 35 1.215 -1.926 1.154 1.00 43.52 H new ATOM 0 HG23 ILE A 35 0.308 -0.983 -0.053 1.00 43.52 H new ATOM 0 HD11 ILE A 35 1.183 -2.651 -3.827 1.00 4.41 H new ATOM 0 HD12 ILE A 35 2.056 -3.614 -2.612 1.00 4.41 H new ATOM 0 HD13 ILE A 35 0.425 -2.998 -2.255 1.00 4.41 H new ATOM 590 N LEU A 36 2.658 0.399 2.087 1.00 54.31 N ATOM 591 CA LEU A 36 2.859 0.360 3.530 1.00 24.33 C ATOM 592 C LEU A 36 1.600 -0.153 4.218 1.00 54.54 C ATOM 593 O LEU A 36 0.544 0.466 4.129 1.00 4.30 O ATOM 594 CB LEU A 36 3.219 1.750 4.084 1.00 34.22 C ATOM 595 CG LEU A 36 4.558 2.347 3.616 1.00 53.14 C ATOM 596 CD1 LEU A 36 5.676 1.319 3.702 1.00 42.33 C ATOM 597 CD2 LEU A 36 4.452 2.903 2.206 1.00 20.02 C ATOM 0 H LEU A 36 1.999 1.112 1.773 1.00 54.31 H new ATOM 0 HA LEU A 36 3.690 -0.315 3.733 1.00 24.33 H new ATOM 0 HB2 LEU A 36 2.423 2.443 3.813 1.00 34.22 H new ATOM 0 HB3 LEU A 36 3.233 1.691 5.172 1.00 34.22 H new ATOM 0 HG LEU A 36 4.800 3.172 4.286 1.00 53.14 H new ATOM 0 HD11 LEU A 36 6.610 1.768 3.365 1.00 42.33 H new ATOM 0 HD12 LEU A 36 5.785 0.986 4.734 1.00 42.33 H new ATOM 0 HD13 LEU A 36 5.435 0.465 3.068 1.00 42.33 H new ATOM 0 HD21 LEU A 36 5.414 3.317 1.905 1.00 20.02 H new ATOM 0 HD22 LEU A 36 4.170 2.104 1.520 1.00 20.02 H new ATOM 0 HD23 LEU A 36 3.695 3.687 2.180 1.00 20.02 H new ATOM 609 N GLY A 37 1.706 -1.284 4.896 1.00 45.24 N ATOM 610 CA GLY A 37 0.542 -1.854 5.544 1.00 70.01 C ATOM 611 C GLY A 37 0.783 -2.182 7.001 1.00 43.11 C ATOM 612 O GLY A 37 1.876 -2.613 7.376 1.00 54.44 O ATOM 0 H GLY A 37 2.569 -1.815 5.010 1.00 45.24 H new ATOM 0 HA2 GLY A 37 -0.290 -1.154 5.467 1.00 70.01 H new ATOM 0 HA3 GLY A 37 0.246 -2.761 5.016 1.00 70.01 H new ATOM 616 N ARG A 38 -0.234 -1.976 7.827 1.00 2.42 N ATOM 617 CA ARG A 38 -0.152 -2.275 9.250 1.00 25.01 C ATOM 618 C ARG A 38 -1.381 -3.058 9.697 1.00 41.22 C ATOM 619 O ARG A 38 -2.237 -3.395 8.881 1.00 32.03 O ATOM 620 CB ARG A 38 -0.017 -0.983 10.064 1.00 24.31 C ATOM 621 CG ARG A 38 1.308 -0.255 9.863 1.00 15.32 C ATOM 622 CD ARG A 38 2.471 -0.977 10.538 1.00 33.25 C ATOM 623 NE ARG A 38 2.724 -2.303 9.963 1.00 24.31 N ATOM 624 CZ ARG A 38 3.551 -3.207 10.498 1.00 2.15 C ATOM 625 NH1 ARG A 38 4.316 -2.883 11.534 1.00 31.30 N ATOM 626 NH2 ARG A 38 3.642 -4.421 9.967 1.00 1.34 N ATOM 0 H ARG A 38 -1.134 -1.599 7.531 1.00 2.42 H new ATOM 0 HA ARG A 38 0.734 -2.886 9.425 1.00 25.01 H new ATOM 0 HB2 ARG A 38 -0.832 -0.311 9.796 1.00 24.31 H new ATOM 0 HB3 ARG A 38 -0.133 -1.219 11.122 1.00 24.31 H new ATOM 0 HG2 ARG A 38 1.511 -0.161 8.796 1.00 15.32 H new ATOM 0 HG3 ARG A 38 1.229 0.756 10.263 1.00 15.32 H new ATOM 0 HD2 ARG A 38 3.371 -0.369 10.449 1.00 33.25 H new ATOM 0 HD3 ARG A 38 2.260 -1.081 11.602 1.00 33.25 H new ATOM 0 HE ARG A 38 2.238 -2.551 9.101 1.00 24.31 H new ATOM 0 HH11 ARG A 38 4.274 -1.942 11.924 1.00 31.30 H new ATOM 0 HH12 ARG A 38 4.946 -3.576 11.939 1.00 31.30 H new ATOM 0 HH21 ARG A 38 3.081 -4.664 9.151 1.00 1.34 H new ATOM 0 HH22 ARG A 38 4.273 -5.110 10.376 1.00 1.34 H new ATOM 640 N LEU A 39 -1.459 -3.343 10.992 1.00 2.34 N ATOM 641 CA LEU A 39 -2.558 -4.127 11.539 1.00 0.04 C ATOM 642 C LEU A 39 -3.791 -3.244 11.721 1.00 2.31 C ATOM 643 O LEU A 39 -3.897 -2.501 12.697 1.00 62.24 O ATOM 644 CB LEU A 39 -2.145 -4.753 12.883 1.00 72.54 C ATOM 645 CG LEU A 39 -2.753 -6.129 13.200 1.00 5.15 C ATOM 646 CD1 LEU A 39 -4.276 -6.075 13.218 1.00 33.34 C ATOM 647 CD2 LEU A 39 -2.263 -7.170 12.200 1.00 12.05 C ATOM 0 H LEU A 39 -0.772 -3.042 11.683 1.00 2.34 H new ATOM 0 HA LEU A 39 -2.802 -4.929 10.842 1.00 0.04 H new ATOM 0 HB2 LEU A 39 -1.059 -4.845 12.900 1.00 72.54 H new ATOM 0 HB3 LEU A 39 -2.419 -4.064 13.682 1.00 72.54 H new ATOM 0 HG LEU A 39 -2.422 -6.419 14.197 1.00 5.15 H new ATOM 0 HD11 LEU A 39 -4.673 -7.065 13.445 1.00 33.34 H new ATOM 0 HD12 LEU A 39 -4.606 -5.368 13.979 1.00 33.34 H new ATOM 0 HD13 LEU A 39 -4.640 -5.753 12.242 1.00 33.34 H new ATOM 0 HD21 LEU A 39 -2.703 -8.139 12.438 1.00 12.05 H new ATOM 0 HD22 LEU A 39 -2.559 -6.875 11.193 1.00 12.05 H new ATOM 0 HD23 LEU A 39 -1.177 -7.242 12.252 1.00 12.05 H new ATOM 659 N ASN A 40 -4.702 -3.311 10.761 1.00 75.02 N ATOM 660 CA ASN A 40 -5.940 -2.545 10.828 1.00 1.25 C ATOM 661 C ASN A 40 -6.928 -3.224 11.766 1.00 54.35 C ATOM 662 O ASN A 40 -7.348 -4.354 11.522 1.00 63.51 O ATOM 663 CB ASN A 40 -6.562 -2.404 9.437 1.00 5.32 C ATOM 664 CG ASN A 40 -7.785 -1.506 9.432 1.00 43.53 C ATOM 665 OD1 ASN A 40 -8.903 -1.956 9.675 1.00 3.32 O ATOM 666 ND2 ASN A 40 -7.582 -0.236 9.131 1.00 20.54 N ATOM 0 H ASN A 40 -4.608 -3.888 9.925 1.00 75.02 H new ATOM 0 HA ASN A 40 -5.707 -1.551 11.211 1.00 1.25 H new ATOM 0 HB2 ASN A 40 -5.818 -2.002 8.750 1.00 5.32 H new ATOM 0 HB3 ASN A 40 -6.839 -3.391 9.065 1.00 5.32 H new ATOM 0 HD21 ASN A 40 -8.369 0.411 9.094 1.00 20.54 H new ATOM 0 HD22 ASN A 40 -6.638 0.097 8.936 1.00 20.54 H new ATOM 673 N SER A 41 -7.298 -2.533 12.833 1.00 32.54 N ATOM 674 CA SER A 41 -8.212 -3.086 13.822 1.00 24.13 C ATOM 675 C SER A 41 -9.661 -2.693 13.525 1.00 45.32 C ATOM 676 O SER A 41 -10.579 -3.055 14.265 1.00 70.35 O ATOM 677 CB SER A 41 -7.800 -2.611 15.216 1.00 1.00 C ATOM 678 OG SER A 41 -7.516 -1.220 15.207 1.00 32.22 O ATOM 0 H SER A 41 -6.979 -1.586 13.037 1.00 32.54 H new ATOM 0 HA SER A 41 -8.155 -4.174 13.778 1.00 24.13 H new ATOM 0 HB2 SER A 41 -8.599 -2.820 15.928 1.00 1.00 H new ATOM 0 HB3 SER A 41 -6.922 -3.165 15.550 1.00 1.00 H new ATOM 0 HG SER A 41 -7.256 -0.933 16.107 1.00 32.22 H new ATOM 684 N LEU A 42 -9.862 -1.965 12.432 1.00 50.01 N ATOM 685 CA LEU A 42 -11.196 -1.516 12.048 1.00 63.14 C ATOM 686 C LEU A 42 -11.915 -2.598 11.252 1.00 0.31 C ATOM 687 O LEU A 42 -13.136 -2.731 11.324 1.00 71.31 O ATOM 688 CB LEU A 42 -11.110 -0.230 11.219 1.00 25.23 C ATOM 689 CG LEU A 42 -10.456 0.962 11.926 1.00 40.42 C ATOM 690 CD1 LEU A 42 -10.362 2.153 10.985 1.00 23.32 C ATOM 691 CD2 LEU A 42 -11.237 1.335 13.181 1.00 70.31 C ATOM 0 H LEU A 42 -9.119 -1.673 11.797 1.00 50.01 H new ATOM 0 HA LEU A 42 -11.762 -1.313 12.957 1.00 63.14 H new ATOM 0 HB2 LEU A 42 -10.552 -0.442 10.307 1.00 25.23 H new ATOM 0 HB3 LEU A 42 -12.117 0.056 10.917 1.00 25.23 H new ATOM 0 HG LEU A 42 -9.447 0.674 12.221 1.00 40.42 H new ATOM 0 HD11 LEU A 42 -9.895 2.990 11.504 1.00 23.32 H new ATOM 0 HD12 LEU A 42 -9.761 1.884 10.116 1.00 23.32 H new ATOM 0 HD13 LEU A 42 -11.362 2.440 10.660 1.00 23.32 H new ATOM 0 HD21 LEU A 42 -10.757 2.183 13.669 1.00 70.31 H new ATOM 0 HD22 LEU A 42 -12.258 1.603 12.908 1.00 70.31 H new ATOM 0 HD23 LEU A 42 -11.255 0.486 13.864 1.00 70.31 H new ATOM 703 N GLY A 43 -11.150 -3.361 10.482 1.00 3.54 N ATOM 704 CA GLY A 43 -11.722 -4.436 9.696 1.00 30.43 C ATOM 705 C GLY A 43 -12.327 -3.940 8.398 1.00 71.34 C ATOM 706 O GLY A 43 -13.039 -4.673 7.712 1.00 51.35 O ATOM 0 H GLY A 43 -10.140 -3.254 10.388 1.00 3.54 H new ATOM 0 HA2 GLY A 43 -10.950 -5.173 9.476 1.00 30.43 H new ATOM 0 HA3 GLY A 43 -12.489 -4.943 10.282 1.00 30.43 H new ATOM 710 N HIS A 44 -12.044 -2.691 8.060 1.00 61.34 N ATOM 711 CA HIS A 44 -12.578 -2.092 6.845 1.00 13.44 C ATOM 712 C HIS A 44 -11.597 -1.064 6.294 1.00 14.13 C ATOM 713 O HIS A 44 -11.493 0.050 6.810 1.00 22.12 O ATOM 714 CB HIS A 44 -13.936 -1.441 7.123 1.00 20.54 C ATOM 715 CG HIS A 44 -14.714 -1.120 5.885 1.00 41.34 C ATOM 716 ND1 HIS A 44 -15.069 0.162 5.527 1.00 4.12 N ATOM 717 CD2 HIS A 44 -15.226 -1.930 4.929 1.00 15.24 C ATOM 718 CE1 HIS A 44 -15.766 0.125 4.405 1.00 73.12 C ATOM 719 NE2 HIS A 44 -15.875 -1.132 4.019 1.00 72.34 N ATOM 0 H HIS A 44 -11.448 -2.072 8.610 1.00 61.34 H new ATOM 0 HA HIS A 44 -12.719 -2.875 6.100 1.00 13.44 H new ATOM 0 HB2 HIS A 44 -14.527 -2.108 7.750 1.00 20.54 H new ATOM 0 HB3 HIS A 44 -13.780 -0.524 7.691 1.00 20.54 H new ATOM 0 HD2 HIS A 44 -15.140 -3.006 4.889 1.00 15.24 H new ATOM 0 HE1 HIS A 44 -16.178 0.980 3.890 1.00 73.12 H new ATOM 0 HE2 HIS A 44 -16.361 -1.457 3.183 1.00 72.34 H new ATOM 728 N PRO A 45 -10.857 -1.433 5.243 1.00 64.34 N ATOM 729 CA PRO A 45 -9.807 -0.588 4.682 1.00 44.21 C ATOM 730 C PRO A 45 -10.322 0.438 3.673 1.00 12.43 C ATOM 731 O PRO A 45 -11.403 0.287 3.106 1.00 32.14 O ATOM 732 CB PRO A 45 -8.908 -1.603 3.986 1.00 71.13 C ATOM 733 CG PRO A 45 -9.825 -2.695 3.547 1.00 1.42 C ATOM 734 CD PRO A 45 -10.979 -2.712 4.519 1.00 40.50 C ATOM 0 HA PRO A 45 -9.319 0.013 5.449 1.00 44.21 H new ATOM 0 HB2 PRO A 45 -8.392 -1.156 3.136 1.00 71.13 H new ATOM 0 HB3 PRO A 45 -8.141 -1.980 4.662 1.00 71.13 H new ATOM 0 HG2 PRO A 45 -10.178 -2.518 2.531 1.00 1.42 H new ATOM 0 HG3 PRO A 45 -9.309 -3.655 3.543 1.00 1.42 H new ATOM 0 HD2 PRO A 45 -11.935 -2.788 4.001 1.00 40.50 H new ATOM 0 HD3 PRO A 45 -10.916 -3.562 5.198 1.00 40.50 H new ATOM 742 N ARG A 46 -9.536 1.488 3.472 1.00 50.35 N ATOM 743 CA ARG A 46 -9.794 2.463 2.423 1.00 24.41 C ATOM 744 C ARG A 46 -8.519 2.660 1.618 1.00 5.23 C ATOM 745 O ARG A 46 -7.567 3.278 2.096 1.00 45.41 O ATOM 746 CB ARG A 46 -10.255 3.806 3.004 1.00 54.42 C ATOM 747 CG ARG A 46 -11.502 3.718 3.868 1.00 24.54 C ATOM 748 CD ARG A 46 -12.019 5.102 4.229 1.00 72.11 C ATOM 749 NE ARG A 46 -12.614 5.788 3.078 1.00 21.43 N ATOM 750 CZ ARG A 46 -12.358 7.053 2.742 1.00 61.33 C ATOM 751 NH1 ARG A 46 -11.442 7.756 3.394 1.00 33.33 N ATOM 752 NH2 ARG A 46 -13.004 7.604 1.725 1.00 52.11 N ATOM 0 H ARG A 46 -8.705 1.686 4.030 1.00 50.35 H new ATOM 0 HA ARG A 46 -10.594 2.088 1.785 1.00 24.41 H new ATOM 0 HB2 ARG A 46 -9.445 4.229 3.598 1.00 54.42 H new ATOM 0 HB3 ARG A 46 -10.444 4.498 2.183 1.00 54.42 H new ATOM 0 HG2 ARG A 46 -12.277 3.164 3.338 1.00 24.54 H new ATOM 0 HG3 ARG A 46 -11.279 3.161 4.778 1.00 24.54 H new ATOM 0 HD2 ARG A 46 -12.762 5.015 5.022 1.00 72.11 H new ATOM 0 HD3 ARG A 46 -11.200 5.703 4.624 1.00 72.11 H new ATOM 0 HE ARG A 46 -13.267 5.263 2.496 1.00 21.43 H new ATOM 0 HH11 ARG A 46 -10.924 7.330 4.162 1.00 33.33 H new ATOM 0 HH12 ARG A 46 -11.256 8.723 3.127 1.00 33.33 H new ATOM 0 HH21 ARG A 46 -13.693 7.061 1.204 1.00 52.11 H new ATOM 0 HH22 ARG A 46 -12.813 8.571 1.463 1.00 52.11 H new ATOM 766 N ILE A 47 -8.486 2.111 0.416 1.00 40.33 N ATOM 767 CA ILE A 47 -7.271 2.128 -0.382 1.00 2.23 C ATOM 768 C ILE A 47 -7.117 3.473 -1.100 1.00 51.03 C ATOM 769 O ILE A 47 -8.007 3.924 -1.828 1.00 44.32 O ATOM 770 CB ILE A 47 -7.241 0.929 -1.374 1.00 31.02 C ATOM 771 CG1 ILE A 47 -5.814 0.665 -1.895 1.00 21.43 C ATOM 772 CG2 ILE A 47 -8.214 1.131 -2.532 1.00 22.43 C ATOM 773 CD1 ILE A 47 -5.334 1.616 -2.971 1.00 10.52 C ATOM 0 H ILE A 47 -9.281 1.651 -0.027 1.00 40.33 H new ATOM 0 HA ILE A 47 -6.415 2.014 0.284 1.00 2.23 H new ATOM 0 HB ILE A 47 -7.565 0.048 -0.820 1.00 31.02 H new ATOM 0 HG12 ILE A 47 -5.122 0.715 -1.054 1.00 21.43 H new ATOM 0 HG13 ILE A 47 -5.769 -0.352 -2.285 1.00 21.43 H new ATOM 0 HG21 ILE A 47 -8.164 0.273 -3.203 1.00 22.43 H new ATOM 0 HG22 ILE A 47 -9.227 1.229 -2.143 1.00 22.43 H new ATOM 0 HG23 ILE A 47 -7.946 2.035 -3.079 1.00 22.43 H new ATOM 0 HD11 ILE A 47 -4.321 1.346 -3.269 1.00 10.52 H new ATOM 0 HD12 ILE A 47 -5.996 1.552 -3.835 1.00 10.52 H new ATOM 0 HD13 ILE A 47 -5.339 2.635 -2.584 1.00 10.52 H new ATOM 785 N GLY A 48 -5.991 4.122 -0.856 1.00 73.44 N ATOM 786 CA GLY A 48 -5.718 5.397 -1.476 1.00 72.22 C ATOM 787 C GLY A 48 -4.297 5.479 -1.985 1.00 52.21 C ATOM 788 O GLY A 48 -3.413 4.783 -1.480 1.00 35.35 O ATOM 0 H GLY A 48 -5.256 3.784 -0.234 1.00 73.44 H new ATOM 0 HA2 GLY A 48 -6.410 5.555 -2.303 1.00 72.22 H new ATOM 0 HA3 GLY A 48 -5.893 6.197 -0.756 1.00 72.22 H new ATOM 792 N LEU A 49 -4.077 6.321 -2.981 1.00 11.24 N ATOM 793 CA LEU A 49 -2.762 6.466 -3.582 1.00 60.42 C ATOM 794 C LEU A 49 -2.117 7.773 -3.145 1.00 62.21 C ATOM 795 O LEU A 49 -2.631 8.857 -3.428 1.00 2.33 O ATOM 796 CB LEU A 49 -2.867 6.423 -5.107 1.00 12.33 C ATOM 797 CG LEU A 49 -1.548 6.608 -5.858 1.00 14.55 C ATOM 798 CD1 LEU A 49 -0.612 5.439 -5.599 1.00 34.43 C ATOM 799 CD2 LEU A 49 -1.805 6.771 -7.347 1.00 60.44 C ATOM 0 H LEU A 49 -4.796 6.917 -3.392 1.00 11.24 H new ATOM 0 HA LEU A 49 -2.139 5.637 -3.246 1.00 60.42 H new ATOM 0 HB2 LEU A 49 -3.301 5.466 -5.398 1.00 12.33 H new ATOM 0 HB3 LEU A 49 -3.561 7.199 -5.429 1.00 12.33 H new ATOM 0 HG LEU A 49 -1.067 7.514 -5.490 1.00 14.55 H new ATOM 0 HD11 LEU A 49 0.320 5.592 -6.143 1.00 34.43 H new ATOM 0 HD12 LEU A 49 -0.402 5.371 -4.532 1.00 34.43 H new ATOM 0 HD13 LEU A 49 -1.082 4.515 -5.936 1.00 34.43 H new ATOM 0 HD21 LEU A 49 -0.856 6.902 -7.868 1.00 60.44 H new ATOM 0 HD22 LEU A 49 -2.309 5.883 -7.729 1.00 60.44 H new ATOM 0 HD23 LEU A 49 -2.434 7.645 -7.514 1.00 60.44 H new ATOM 811 N THR A 50 -1.001 7.669 -2.447 1.00 4.10 N ATOM 812 CA THR A 50 -0.268 8.843 -2.020 1.00 63.32 C ATOM 813 C THR A 50 0.796 9.195 -3.050 1.00 62.23 C ATOM 814 O THR A 50 1.886 8.620 -3.057 1.00 23.23 O ATOM 815 CB THR A 50 0.405 8.631 -0.652 1.00 23.51 C ATOM 816 OG1 THR A 50 -0.465 7.879 0.208 1.00 73.22 O ATOM 817 CG2 THR A 50 0.733 9.964 0.002 1.00 73.21 C ATOM 0 H THR A 50 -0.583 6.782 -2.164 1.00 4.10 H new ATOM 0 HA THR A 50 -0.985 9.659 -1.926 1.00 63.32 H new ATOM 0 HB THR A 50 1.333 8.081 -0.809 1.00 23.51 H new ATOM 0 HG1 THR A 50 -0.031 7.746 1.076 1.00 73.22 H new ATOM 0 HG21 THR A 50 1.208 9.789 0.967 1.00 73.21 H new ATOM 0 HG22 THR A 50 1.412 10.527 -0.639 1.00 73.21 H new ATOM 0 HG23 THR A 50 -0.185 10.534 0.147 1.00 73.21 H new ATOM 825 N VAL A 51 0.454 10.101 -3.945 1.00 24.23 N ATOM 826 CA VAL A 51 1.389 10.573 -4.946 1.00 71.21 C ATOM 827 C VAL A 51 1.276 12.087 -5.071 1.00 2.13 C ATOM 828 O VAL A 51 0.176 12.630 -5.182 1.00 64.04 O ATOM 829 CB VAL A 51 1.153 9.889 -6.319 1.00 10.30 C ATOM 830 CG1 VAL A 51 -0.256 10.136 -6.837 1.00 1.32 C ATOM 831 CG2 VAL A 51 2.185 10.348 -7.336 1.00 72.23 C ATOM 0 H VAL A 51 -0.471 10.527 -3.999 1.00 24.23 H new ATOM 0 HA VAL A 51 2.397 10.310 -4.627 1.00 71.21 H new ATOM 0 HB VAL A 51 1.266 8.815 -6.171 1.00 10.30 H new ATOM 0 HG11 VAL A 51 -0.382 9.641 -7.800 1.00 1.32 H new ATOM 0 HG12 VAL A 51 -0.980 9.737 -6.127 1.00 1.32 H new ATOM 0 HG13 VAL A 51 -0.417 11.207 -6.956 1.00 1.32 H new ATOM 0 HG21 VAL A 51 1.999 9.855 -8.290 1.00 72.23 H new ATOM 0 HG22 VAL A 51 2.113 11.428 -7.465 1.00 72.23 H new ATOM 0 HG23 VAL A 51 3.183 10.090 -6.983 1.00 72.23 H new ATOM 841 N ALA A 52 2.405 12.773 -5.005 1.00 0.22 N ATOM 842 CA ALA A 52 2.408 14.220 -5.104 1.00 63.12 C ATOM 843 C ALA A 52 2.281 14.648 -6.558 1.00 62.42 C ATOM 844 O ALA A 52 2.508 13.846 -7.469 1.00 52.11 O ATOM 845 CB ALA A 52 3.661 14.792 -4.464 1.00 21.10 C ATOM 0 H ALA A 52 3.326 12.352 -4.884 1.00 0.22 H new ATOM 0 HA ALA A 52 1.549 14.615 -4.562 1.00 63.12 H new ATOM 0 HB1 ALA A 52 3.648 15.879 -4.547 1.00 21.10 H new ATOM 0 HB2 ALA A 52 3.694 14.508 -3.412 1.00 21.10 H new ATOM 0 HB3 ALA A 52 4.541 14.400 -4.973 1.00 21.10 H new ATOM 851 N LYS A 53 1.929 15.910 -6.770 1.00 43.12 N ATOM 852 CA LYS A 53 1.611 16.416 -8.105 1.00 51.14 C ATOM 853 C LYS A 53 2.753 16.178 -9.086 1.00 54.41 C ATOM 854 O LYS A 53 2.531 15.754 -10.219 1.00 13.22 O ATOM 855 CB LYS A 53 1.295 17.917 -8.067 1.00 51.13 C ATOM 856 CG LYS A 53 -0.015 18.287 -7.379 1.00 12.45 C ATOM 857 CD LYS A 53 0.065 18.135 -5.868 1.00 45.15 C ATOM 858 CE LYS A 53 -1.095 18.826 -5.170 1.00 12.04 C ATOM 859 NZ LYS A 53 -1.076 20.295 -5.397 1.00 32.14 N ATOM 0 H LYS A 53 1.855 16.609 -6.030 1.00 43.12 H new ATOM 0 HA LYS A 53 0.733 15.866 -8.444 1.00 51.14 H new ATOM 0 HB2 LYS A 53 2.111 18.431 -7.560 1.00 51.13 H new ATOM 0 HB3 LYS A 53 1.268 18.293 -9.090 1.00 51.13 H new ATOM 0 HG2 LYS A 53 -0.274 19.317 -7.625 1.00 12.45 H new ATOM 0 HG3 LYS A 53 -0.816 17.656 -7.764 1.00 12.45 H new ATOM 0 HD2 LYS A 53 0.067 17.076 -5.609 1.00 45.15 H new ATOM 0 HD3 LYS A 53 1.006 18.553 -5.510 1.00 45.15 H new ATOM 0 HE2 LYS A 53 -2.036 18.414 -5.533 1.00 12.04 H new ATOM 0 HE3 LYS A 53 -1.050 18.622 -4.100 1.00 12.04 H new ATOM 0 HZ1 LYS A 53 -1.616 20.769 -4.645 1.00 32.14 H new ATOM 0 HZ2 LYS A 53 -0.093 20.635 -5.385 1.00 32.14 H new ATOM 0 HZ3 LYS A 53 -1.506 20.509 -6.320 1.00 32.14 H new ATOM 873 N LYS A 54 3.972 16.432 -8.639 1.00 64.33 N ATOM 874 CA LYS A 54 5.123 16.402 -9.527 1.00 44.23 C ATOM 875 C LYS A 54 5.950 15.130 -9.356 1.00 43.04 C ATOM 876 O LYS A 54 7.092 15.065 -9.812 1.00 41.54 O ATOM 877 CB LYS A 54 5.989 17.644 -9.299 1.00 3.34 C ATOM 878 CG LYS A 54 6.378 17.866 -7.847 1.00 34.30 C ATOM 879 CD LYS A 54 7.063 19.212 -7.657 1.00 65.44 C ATOM 880 CE LYS A 54 8.388 19.283 -8.400 1.00 30.03 C ATOM 881 NZ LYS A 54 9.426 18.423 -7.774 1.00 13.22 N ATOM 0 H LYS A 54 4.190 16.661 -7.669 1.00 64.33 H new ATOM 0 HA LYS A 54 4.752 16.404 -10.552 1.00 44.23 H new ATOM 0 HB2 LYS A 54 6.895 17.558 -9.898 1.00 3.34 H new ATOM 0 HB3 LYS A 54 5.451 18.521 -9.659 1.00 3.34 H new ATOM 0 HG2 LYS A 54 5.489 17.816 -7.218 1.00 34.30 H new ATOM 0 HG3 LYS A 54 7.044 17.067 -7.521 1.00 34.30 H new ATOM 0 HD2 LYS A 54 6.406 20.007 -8.010 1.00 65.44 H new ATOM 0 HD3 LYS A 54 7.233 19.386 -6.595 1.00 65.44 H new ATOM 0 HE2 LYS A 54 8.240 18.976 -9.435 1.00 30.03 H new ATOM 0 HE3 LYS A 54 8.737 20.315 -8.420 1.00 30.03 H new ATOM 0 HZ1 LYS A 54 10.334 18.566 -8.260 1.00 13.22 H new ATOM 0 HZ2 LYS A 54 9.527 18.675 -6.770 1.00 13.22 H new ATOM 0 HZ3 LYS A 54 9.144 17.425 -7.853 1.00 13.22 H new ATOM 895 N ASN A 55 5.375 14.113 -8.720 1.00 40.11 N ATOM 896 CA ASN A 55 6.050 12.821 -8.614 1.00 44.44 C ATOM 897 C ASN A 55 5.883 12.043 -9.909 1.00 75.34 C ATOM 898 O ASN A 55 6.685 11.169 -10.238 1.00 65.13 O ATOM 899 CB ASN A 55 5.520 11.984 -7.442 1.00 42.00 C ATOM 900 CG ASN A 55 5.926 12.520 -6.081 1.00 23.10 C ATOM 901 OD1 ASN A 55 5.248 12.277 -5.082 1.00 44.24 O ATOM 902 ND2 ASN A 55 7.027 13.254 -6.028 1.00 41.35 N ATOM 0 H ASN A 55 4.458 14.155 -8.276 1.00 40.11 H new ATOM 0 HA ASN A 55 7.105 13.020 -8.429 1.00 44.44 H new ATOM 0 HB2 ASN A 55 4.432 11.944 -7.498 1.00 42.00 H new ATOM 0 HB3 ASN A 55 5.883 10.961 -7.543 1.00 42.00 H new ATOM 0 HD21 ASN A 55 7.340 13.640 -5.137 1.00 41.35 H new ATOM 0 HD22 ASN A 55 7.562 13.433 -6.878 1.00 41.35 H new ATOM 909 N VAL A 56 4.838 12.377 -10.648 1.00 32.10 N ATOM 910 CA VAL A 56 4.559 11.713 -11.907 1.00 54.03 C ATOM 911 C VAL A 56 5.239 12.465 -13.047 1.00 0.42 C ATOM 912 O VAL A 56 5.239 13.696 -13.075 1.00 65.41 O ATOM 913 CB VAL A 56 3.040 11.622 -12.176 1.00 74.02 C ATOM 914 CG1 VAL A 56 2.749 10.594 -13.253 1.00 13.12 C ATOM 915 CG2 VAL A 56 2.285 11.281 -10.902 1.00 64.00 C ATOM 0 H VAL A 56 4.169 13.105 -10.396 1.00 32.10 H new ATOM 0 HA VAL A 56 4.952 10.698 -11.846 1.00 54.03 H new ATOM 0 HB VAL A 56 2.700 12.597 -12.526 1.00 74.02 H new ATOM 0 HG11 VAL A 56 1.674 10.545 -13.428 1.00 13.12 H new ATOM 0 HG12 VAL A 56 3.254 10.880 -14.175 1.00 13.12 H new ATOM 0 HG13 VAL A 56 3.109 9.617 -12.930 1.00 13.12 H new ATOM 0 HG21 VAL A 56 1.218 11.222 -11.116 1.00 64.00 H new ATOM 0 HG22 VAL A 56 2.632 10.321 -10.520 1.00 64.00 H new ATOM 0 HG23 VAL A 56 2.463 12.055 -10.155 1.00 64.00 H new ATOM 925 N ARG A 57 5.836 11.723 -13.972 1.00 53.01 N ATOM 926 CA ARG A 57 6.549 12.325 -15.090 1.00 32.41 C ATOM 927 C ARG A 57 5.556 12.811 -16.144 1.00 64.12 C ATOM 928 O ARG A 57 5.735 13.865 -16.752 1.00 21.20 O ATOM 929 CB ARG A 57 7.529 11.318 -15.693 1.00 23.41 C ATOM 930 CG ARG A 57 8.547 11.943 -16.629 1.00 55.05 C ATOM 931 CD ARG A 57 9.523 10.903 -17.150 1.00 74.23 C ATOM 932 NE ARG A 57 10.633 11.509 -17.882 1.00 5.14 N ATOM 933 CZ ARG A 57 11.514 10.825 -18.611 1.00 10.33 C ATOM 934 NH1 ARG A 57 11.419 9.505 -18.726 1.00 70.31 N ATOM 935 NH2 ARG A 57 12.497 11.466 -19.228 1.00 3.32 N ATOM 0 H ARG A 57 5.840 10.703 -13.969 1.00 53.01 H new ATOM 0 HA ARG A 57 7.117 13.183 -14.730 1.00 32.41 H new ATOM 0 HB2 ARG A 57 8.055 10.809 -14.886 1.00 23.41 H new ATOM 0 HB3 ARG A 57 6.967 10.558 -16.236 1.00 23.41 H new ATOM 0 HG2 ARG A 57 8.033 12.416 -17.466 1.00 55.05 H new ATOM 0 HG3 ARG A 57 9.093 12.728 -16.106 1.00 55.05 H new ATOM 0 HD2 ARG A 57 9.914 10.323 -16.314 1.00 74.23 H new ATOM 0 HD3 ARG A 57 8.996 10.207 -17.802 1.00 74.23 H new ATOM 0 HE ARG A 57 10.740 12.522 -17.832 1.00 5.14 H new ATOM 0 HH11 ARG A 57 10.666 9.005 -18.254 1.00 70.31 H new ATOM 0 HH12 ARG A 57 12.099 8.992 -19.287 1.00 70.31 H new ATOM 0 HH21 ARG A 57 12.577 12.479 -19.144 1.00 3.32 H new ATOM 0 HH22 ARG A 57 13.173 10.946 -19.787 1.00 3.32 H new ATOM 949 N ARG A 58 4.508 12.030 -16.351 1.00 25.50 N ATOM 950 CA ARG A 58 3.416 12.417 -17.232 1.00 41.31 C ATOM 951 C ARG A 58 2.148 12.590 -16.410 1.00 52.21 C ATOM 952 O ARG A 58 1.632 11.623 -15.856 1.00 74.43 O ATOM 953 CB ARG A 58 3.204 11.373 -18.332 1.00 22.13 C ATOM 954 CG ARG A 58 4.376 11.241 -19.300 1.00 31.20 C ATOM 955 CD ARG A 58 4.549 12.478 -20.179 1.00 11.01 C ATOM 956 NE ARG A 58 4.995 13.649 -19.424 1.00 61.40 N ATOM 957 CZ ARG A 58 5.060 14.881 -19.922 1.00 14.40 C ATOM 958 NH1 ARG A 58 4.725 15.119 -21.187 1.00 51.13 N ATOM 959 NH2 ARG A 58 5.462 15.880 -19.148 1.00 33.43 N ATOM 0 H ARG A 58 4.390 11.115 -15.916 1.00 25.50 H new ATOM 0 HA ARG A 58 3.667 13.361 -17.716 1.00 41.31 H new ATOM 0 HB2 ARG A 58 3.019 10.404 -17.868 1.00 22.13 H new ATOM 0 HB3 ARG A 58 2.308 11.632 -18.896 1.00 22.13 H new ATOM 0 HG2 ARG A 58 5.292 11.069 -18.735 1.00 31.20 H new ATOM 0 HG3 ARG A 58 4.224 10.367 -19.933 1.00 31.20 H new ATOM 0 HD2 ARG A 58 5.271 12.261 -20.966 1.00 11.01 H new ATOM 0 HD3 ARG A 58 3.602 12.706 -20.669 1.00 11.01 H new ATOM 0 HE ARG A 58 5.274 13.512 -18.453 1.00 61.40 H new ATOM 0 HH11 ARG A 58 4.415 14.353 -21.785 1.00 51.13 H new ATOM 0 HH12 ARG A 58 4.778 16.067 -21.559 1.00 51.13 H new ATOM 0 HH21 ARG A 58 5.719 15.701 -18.177 1.00 33.43 H new ATOM 0 HH22 ARG A 58 5.514 16.827 -19.523 1.00 33.43 H new ATOM 973 N ALA A 59 1.661 13.825 -16.354 1.00 55.03 N ATOM 974 CA ALA A 59 0.599 14.228 -15.430 1.00 15.52 C ATOM 975 C ALA A 59 -0.537 13.210 -15.319 1.00 72.12 C ATOM 976 O ALA A 59 -0.803 12.701 -14.236 1.00 0.21 O ATOM 977 CB ALA A 59 0.044 15.584 -15.838 1.00 75.24 C ATOM 0 H ALA A 59 1.992 14.582 -16.952 1.00 55.03 H new ATOM 0 HA ALA A 59 1.056 14.287 -14.442 1.00 15.52 H new ATOM 0 HB1 ALA A 59 -0.746 15.877 -15.146 1.00 75.24 H new ATOM 0 HB2 ALA A 59 0.842 16.326 -15.813 1.00 75.24 H new ATOM 0 HB3 ALA A 59 -0.363 15.522 -16.847 1.00 75.24 H new ATOM 983 N HIS A 60 -1.181 12.895 -16.440 1.00 23.34 N ATOM 984 CA HIS A 60 -2.403 12.074 -16.429 1.00 55.11 C ATOM 985 C HIS A 60 -2.174 10.632 -15.948 1.00 52.31 C ATOM 986 O HIS A 60 -3.136 9.906 -15.706 1.00 32.22 O ATOM 987 CB HIS A 60 -3.068 12.060 -17.817 1.00 31.35 C ATOM 988 CG HIS A 60 -2.196 11.549 -18.928 1.00 35.34 C ATOM 989 ND1 HIS A 60 -2.098 10.216 -19.269 1.00 53.21 N ATOM 990 CD2 HIS A 60 -1.388 12.211 -19.787 1.00 72.14 C ATOM 991 CE1 HIS A 60 -1.266 10.084 -20.286 1.00 52.21 C ATOM 992 NE2 HIS A 60 -0.824 11.281 -20.618 1.00 41.44 N ATOM 0 H HIS A 60 -0.883 13.192 -17.369 1.00 23.34 H new ATOM 0 HA HIS A 60 -3.067 12.547 -15.705 1.00 55.11 H new ATOM 0 HB2 HIS A 60 -3.967 11.445 -17.768 1.00 31.35 H new ATOM 0 HB3 HIS A 60 -3.388 13.073 -18.061 1.00 31.35 H new ATOM 0 HD2 HIS A 60 -1.219 13.277 -19.813 1.00 72.14 H new ATOM 0 HE1 HIS A 60 -0.994 9.155 -20.764 1.00 52.21 H new ATOM 0 HE2 HIS A 60 -0.168 11.482 -21.372 1.00 41.44 H new ATOM 1001 N GLU A 61 -0.921 10.227 -15.773 1.00 13.41 N ATOM 1002 CA GLU A 61 -0.619 8.842 -15.413 1.00 12.10 C ATOM 1003 C GLU A 61 -0.942 8.528 -13.950 1.00 54.34 C ATOM 1004 O GLU A 61 -0.860 7.372 -13.534 1.00 11.44 O ATOM 1005 CB GLU A 61 0.843 8.500 -15.708 1.00 1.54 C ATOM 1006 CG GLU A 61 1.145 8.317 -17.189 1.00 4.44 C ATOM 1007 CD GLU A 61 0.284 7.243 -17.835 1.00 23.14 C ATOM 1008 OE1 GLU A 61 0.570 6.043 -17.648 1.00 11.02 O ATOM 1009 OE2 GLU A 61 -0.681 7.594 -18.540 1.00 45.33 O ATOM 0 H GLU A 61 -0.104 10.829 -15.873 1.00 13.41 H new ATOM 0 HA GLU A 61 -1.265 8.220 -16.033 1.00 12.10 H new ATOM 0 HB2 GLU A 61 1.479 9.292 -15.312 1.00 1.54 H new ATOM 0 HB3 GLU A 61 1.107 7.585 -15.177 1.00 1.54 H new ATOM 0 HG2 GLU A 61 0.988 9.263 -17.707 1.00 4.44 H new ATOM 0 HG3 GLU A 61 2.196 8.057 -17.312 1.00 4.44 H new ATOM 1016 N ARG A 62 -1.314 9.533 -13.160 1.00 40.35 N ATOM 1017 CA ARG A 62 -1.717 9.270 -11.777 1.00 33.30 C ATOM 1018 C ARG A 62 -3.050 8.526 -11.766 1.00 52.53 C ATOM 1019 O ARG A 62 -3.343 7.762 -10.845 1.00 32.14 O ATOM 1020 CB ARG A 62 -1.811 10.553 -10.926 1.00 72.15 C ATOM 1021 CG ARG A 62 -3.057 11.399 -11.169 1.00 15.55 C ATOM 1022 CD ARG A 62 -2.927 12.243 -12.421 1.00 33.33 C ATOM 1023 NE ARG A 62 -4.157 12.957 -12.751 1.00 14.03 N ATOM 1024 CZ ARG A 62 -4.183 14.182 -13.281 1.00 23.52 C ATOM 1025 NH1 ARG A 62 -3.052 14.870 -13.424 1.00 42.14 N ATOM 1026 NH2 ARG A 62 -5.340 14.733 -13.635 1.00 51.25 N ATOM 0 H ARG A 62 -1.346 10.513 -13.442 1.00 40.35 H new ATOM 0 HA ARG A 62 -0.941 8.653 -11.323 1.00 33.30 H new ATOM 0 HB2 ARG A 62 -1.779 10.275 -9.872 1.00 72.15 H new ATOM 0 HB3 ARG A 62 -0.931 11.166 -11.121 1.00 72.15 H new ATOM 0 HG2 ARG A 62 -3.927 10.748 -11.258 1.00 15.55 H new ATOM 0 HG3 ARG A 62 -3.230 12.047 -10.310 1.00 15.55 H new ATOM 0 HD2 ARG A 62 -2.119 12.962 -12.287 1.00 33.33 H new ATOM 0 HD3 ARG A 62 -2.648 11.603 -13.258 1.00 33.33 H new ATOM 0 HE ARG A 62 -5.047 12.494 -12.566 1.00 14.03 H new ATOM 0 HH11 ARG A 62 -2.165 14.461 -13.129 1.00 42.14 H new ATOM 0 HH12 ARG A 62 -3.072 15.806 -13.829 1.00 42.14 H new ATOM 0 HH21 ARG A 62 -6.211 14.220 -13.502 1.00 51.25 H new ATOM 0 HH22 ARG A 62 -5.356 15.669 -14.040 1.00 51.25 H new ATOM 1040 N ASN A 63 -3.844 8.734 -12.814 1.00 53.14 N ATOM 1041 CA ASN A 63 -5.132 8.061 -12.945 1.00 71.43 C ATOM 1042 C ASN A 63 -4.921 6.618 -13.378 1.00 50.52 C ATOM 1043 O ASN A 63 -5.786 5.764 -13.188 1.00 5.51 O ATOM 1044 CB ASN A 63 -6.033 8.793 -13.951 1.00 34.14 C ATOM 1045 CG ASN A 63 -6.528 10.132 -13.432 1.00 12.51 C ATOM 1046 OD1 ASN A 63 -5.875 10.779 -12.615 1.00 24.51 O ATOM 1047 ND2 ASN A 63 -7.682 10.565 -13.909 1.00 61.00 N ATOM 0 H ASN A 63 -3.617 9.363 -13.584 1.00 53.14 H new ATOM 0 HA ASN A 63 -5.629 8.073 -11.975 1.00 71.43 H new ATOM 0 HB2 ASN A 63 -5.482 8.949 -14.879 1.00 34.14 H new ATOM 0 HB3 ASN A 63 -6.889 8.162 -14.191 1.00 34.14 H new ATOM 0 HD21 ASN A 63 -8.057 11.462 -13.600 1.00 61.00 H new ATOM 0 HD22 ASN A 63 -8.197 10.002 -14.586 1.00 61.00 H new ATOM 1054 N ARG A 64 -3.758 6.357 -13.953 1.00 53.00 N ATOM 1055 CA ARG A 64 -3.372 5.009 -14.341 1.00 33.32 C ATOM 1056 C ARG A 64 -3.068 4.189 -13.092 1.00 1.53 C ATOM 1057 O ARG A 64 -3.623 3.108 -12.884 1.00 43.13 O ATOM 1058 CB ARG A 64 -2.131 5.061 -15.238 1.00 62.52 C ATOM 1059 CG ARG A 64 -1.708 3.712 -15.797 1.00 72.22 C ATOM 1060 CD ARG A 64 -2.239 3.503 -17.204 1.00 34.42 C ATOM 1061 NE ARG A 64 -1.679 4.476 -18.142 1.00 1.21 N ATOM 1062 CZ ARG A 64 -1.912 4.480 -19.452 1.00 53.52 C ATOM 1063 NH1 ARG A 64 -2.684 3.551 -20.005 1.00 23.53 N ATOM 1064 NH2 ARG A 64 -1.370 5.424 -20.208 1.00 45.44 N ATOM 0 H ARG A 64 -3.058 7.069 -14.163 1.00 53.00 H new ATOM 0 HA ARG A 64 -4.190 4.544 -14.891 1.00 33.32 H new ATOM 0 HB2 ARG A 64 -2.325 5.741 -16.068 1.00 62.52 H new ATOM 0 HB3 ARG A 64 -1.302 5.481 -14.668 1.00 62.52 H new ATOM 0 HG2 ARG A 64 -0.620 3.644 -15.803 1.00 72.22 H new ATOM 0 HG3 ARG A 64 -2.073 2.917 -15.147 1.00 72.22 H new ATOM 0 HD2 ARG A 64 -1.997 2.494 -17.538 1.00 34.42 H new ATOM 0 HD3 ARG A 64 -3.326 3.586 -17.199 1.00 34.42 H new ATOM 0 HE ARG A 64 -1.068 5.201 -17.766 1.00 1.21 H new ATOM 0 HH11 ARG A 64 -3.105 2.826 -19.424 1.00 23.53 H new ATOM 0 HH12 ARG A 64 -2.856 3.563 -21.010 1.00 23.53 H new ATOM 0 HH21 ARG A 64 -0.779 6.140 -19.785 1.00 45.44 H new ATOM 0 HH22 ARG A 64 -1.543 5.435 -21.213 1.00 45.44 H new ATOM 1078 N ILE A 65 -2.205 4.744 -12.249 1.00 54.12 N ATOM 1079 CA ILE A 65 -1.724 4.060 -11.054 1.00 64.33 C ATOM 1080 C ILE A 65 -2.843 3.842 -10.034 1.00 42.12 C ATOM 1081 O ILE A 65 -2.962 2.759 -9.455 1.00 74.15 O ATOM 1082 CB ILE A 65 -0.573 4.851 -10.391 1.00 73.44 C ATOM 1083 CG1 ILE A 65 0.550 5.121 -11.401 1.00 11.04 C ATOM 1084 CG2 ILE A 65 -0.025 4.106 -9.180 1.00 3.40 C ATOM 1085 CD1 ILE A 65 1.165 3.871 -11.994 1.00 14.01 C ATOM 0 H ILE A 65 -1.819 5.680 -12.374 1.00 54.12 H new ATOM 0 HA ILE A 65 -1.356 3.086 -11.375 1.00 64.33 H new ATOM 0 HB ILE A 65 -0.975 5.806 -10.052 1.00 73.44 H new ATOM 0 HG12 ILE A 65 0.156 5.737 -12.209 1.00 11.04 H new ATOM 0 HG13 ILE A 65 1.333 5.700 -10.911 1.00 11.04 H new ATOM 0 HG21 ILE A 65 0.783 4.684 -8.732 1.00 3.40 H new ATOM 0 HG22 ILE A 65 -0.820 3.967 -8.448 1.00 3.40 H new ATOM 0 HG23 ILE A 65 0.355 3.133 -9.492 1.00 3.40 H new ATOM 0 HD11 ILE A 65 1.950 4.150 -12.697 1.00 14.01 H new ATOM 0 HD12 ILE A 65 1.592 3.262 -11.197 1.00 14.01 H new ATOM 0 HD13 ILE A 65 0.397 3.300 -12.515 1.00 14.01 H new ATOM 1097 N LYS A 66 -3.674 4.860 -9.824 1.00 21.35 N ATOM 1098 CA LYS A 66 -4.718 4.777 -8.808 1.00 3.20 C ATOM 1099 C LYS A 66 -5.821 3.800 -9.220 1.00 1.03 C ATOM 1100 O LYS A 66 -6.454 3.182 -8.370 1.00 42.53 O ATOM 1101 CB LYS A 66 -5.308 6.161 -8.507 1.00 3.43 C ATOM 1102 CG LYS A 66 -6.211 6.708 -9.600 1.00 23.22 C ATOM 1103 CD LYS A 66 -6.631 8.145 -9.316 1.00 24.04 C ATOM 1104 CE LYS A 66 -7.460 8.246 -8.044 1.00 24.32 C ATOM 1105 NZ LYS A 66 -7.869 9.647 -7.749 1.00 43.55 N ATOM 0 H LYS A 66 -3.646 5.741 -10.337 1.00 21.35 H new ATOM 0 HA LYS A 66 -4.256 4.398 -7.897 1.00 3.20 H new ATOM 0 HB2 LYS A 66 -5.874 6.107 -7.577 1.00 3.43 H new ATOM 0 HB3 LYS A 66 -4.491 6.863 -8.342 1.00 3.43 H new ATOM 0 HG2 LYS A 66 -5.692 6.663 -10.558 1.00 23.22 H new ATOM 0 HG3 LYS A 66 -7.098 6.080 -9.688 1.00 23.22 H new ATOM 0 HD2 LYS A 66 -5.744 8.772 -9.224 1.00 24.04 H new ATOM 0 HD3 LYS A 66 -7.207 8.529 -10.158 1.00 24.04 H new ATOM 0 HE2 LYS A 66 -8.349 7.623 -8.141 1.00 24.32 H new ATOM 0 HE3 LYS A 66 -6.885 7.853 -7.205 1.00 24.32 H new ATOM 0 HZ1 LYS A 66 -8.431 9.668 -6.874 1.00 43.55 H new ATOM 0 HZ2 LYS A 66 -7.022 10.238 -7.630 1.00 43.55 H new ATOM 0 HZ3 LYS A 66 -8.440 10.015 -8.536 1.00 43.55 H new ATOM 1119 N ARG A 67 -6.044 3.646 -10.521 1.00 4.55 N ATOM 1120 CA ARG A 67 -7.050 2.703 -11.001 1.00 22.33 C ATOM 1121 C ARG A 67 -6.540 1.272 -10.911 1.00 14.44 C ATOM 1122 O ARG A 67 -7.311 0.345 -10.672 1.00 2.15 O ATOM 1123 CB ARG A 67 -7.467 3.005 -12.440 1.00 74.41 C ATOM 1124 CG ARG A 67 -8.553 4.061 -12.558 1.00 52.52 C ATOM 1125 CD ARG A 67 -9.238 3.993 -13.914 1.00 74.14 C ATOM 1126 NE ARG A 67 -9.805 2.666 -14.166 1.00 54.42 N ATOM 1127 CZ ARG A 67 -10.846 2.431 -14.965 1.00 30.21 C ATOM 1128 NH1 ARG A 67 -11.435 3.427 -15.613 1.00 3.45 N ATOM 1129 NH2 ARG A 67 -11.291 1.189 -15.116 1.00 3.52 N ATOM 0 H ARG A 67 -5.549 4.154 -11.254 1.00 4.55 H new ATOM 0 HA ARG A 67 -7.923 2.815 -10.358 1.00 22.33 H new ATOM 0 HB2 ARG A 67 -6.592 3.334 -13.000 1.00 74.41 H new ATOM 0 HB3 ARG A 67 -7.817 2.084 -12.907 1.00 74.41 H new ATOM 0 HG2 ARG A 67 -9.290 3.919 -11.767 1.00 52.52 H new ATOM 0 HG3 ARG A 67 -8.119 5.051 -12.416 1.00 52.52 H new ATOM 0 HD2 ARG A 67 -10.029 4.742 -13.961 1.00 74.14 H new ATOM 0 HD3 ARG A 67 -8.521 4.237 -14.697 1.00 74.14 H new ATOM 0 HE ARG A 67 -9.374 1.868 -13.699 1.00 54.42 H new ATOM 0 HH11 ARG A 67 -11.092 4.381 -15.502 1.00 3.45 H new ATOM 0 HH12 ARG A 67 -12.231 3.239 -16.222 1.00 3.45 H new ATOM 0 HH21 ARG A 67 -10.837 0.421 -14.622 1.00 3.52 H new ATOM 0 HH22 ARG A 67 -12.087 1.003 -15.726 1.00 3.52 H new ATOM 1143 N LEU A 68 -5.242 1.101 -11.110 1.00 72.02 N ATOM 1144 CA LEU A 68 -4.623 -0.215 -11.047 1.00 54.22 C ATOM 1145 C LEU A 68 -4.677 -0.745 -9.616 1.00 41.15 C ATOM 1146 O LEU A 68 -5.041 -1.896 -9.374 1.00 13.33 O ATOM 1147 CB LEU A 68 -3.169 -0.119 -11.551 1.00 63.44 C ATOM 1148 CG LEU A 68 -2.451 -1.447 -11.850 1.00 54.21 C ATOM 1149 CD1 LEU A 68 -2.001 -2.139 -10.571 1.00 23.22 C ATOM 1150 CD2 LEU A 68 -3.347 -2.368 -12.670 1.00 14.24 C ATOM 0 H LEU A 68 -4.594 1.861 -11.317 1.00 72.02 H new ATOM 0 HA LEU A 68 -5.166 -0.912 -11.685 1.00 54.22 H new ATOM 0 HB2 LEU A 68 -3.163 0.483 -12.460 1.00 63.44 H new ATOM 0 HB3 LEU A 68 -2.586 0.423 -10.806 1.00 63.44 H new ATOM 0 HG LEU A 68 -1.560 -1.217 -12.433 1.00 54.21 H new ATOM 0 HD11 LEU A 68 -1.498 -3.073 -10.820 1.00 23.22 H new ATOM 0 HD12 LEU A 68 -1.313 -1.490 -10.029 1.00 23.22 H new ATOM 0 HD13 LEU A 68 -2.869 -2.350 -9.947 1.00 23.22 H new ATOM 0 HD21 LEU A 68 -2.822 -3.302 -12.871 1.00 14.24 H new ATOM 0 HD22 LEU A 68 -4.260 -2.578 -12.113 1.00 14.24 H new ATOM 0 HD23 LEU A 68 -3.601 -1.884 -13.613 1.00 14.24 H new ATOM 1162 N THR A 69 -4.344 0.117 -8.672 1.00 63.54 N ATOM 1163 CA THR A 69 -4.270 -0.270 -7.276 1.00 70.31 C ATOM 1164 C THR A 69 -5.650 -0.366 -6.623 1.00 41.43 C ATOM 1165 O THR A 69 -6.032 -1.420 -6.114 1.00 30.13 O ATOM 1166 CB THR A 69 -3.400 0.725 -6.487 1.00 24.45 C ATOM 1167 OG1 THR A 69 -3.765 2.069 -6.834 1.00 71.15 O ATOM 1168 CG2 THR A 69 -1.926 0.504 -6.785 1.00 20.22 C ATOM 0 H THR A 69 -4.119 1.096 -8.849 1.00 63.54 H new ATOM 0 HA THR A 69 -3.818 -1.261 -7.249 1.00 70.31 H new ATOM 0 HB THR A 69 -3.568 0.563 -5.422 1.00 24.45 H new ATOM 0 HG1 THR A 69 -3.345 2.313 -7.685 1.00 71.15 H new ATOM 0 HG21 THR A 69 -1.329 1.218 -6.217 1.00 20.22 H new ATOM 0 HG22 THR A 69 -1.646 -0.510 -6.501 1.00 20.22 H new ATOM 0 HG23 THR A 69 -1.745 0.646 -7.850 1.00 20.22 H new ATOM 1176 N ARG A 70 -6.405 0.728 -6.667 1.00 25.21 N ATOM 1177 CA ARG A 70 -7.648 0.839 -5.908 1.00 24.11 C ATOM 1178 C ARG A 70 -8.718 -0.142 -6.390 1.00 15.44 C ATOM 1179 O ARG A 70 -9.637 -0.471 -5.641 1.00 23.32 O ATOM 1180 CB ARG A 70 -8.183 2.275 -5.960 1.00 42.24 C ATOM 1181 CG ARG A 70 -7.199 3.307 -5.422 1.00 35.32 C ATOM 1182 CD ARG A 70 -7.779 4.711 -5.441 1.00 32.13 C ATOM 1183 NE ARG A 70 -8.800 4.902 -4.413 1.00 73.14 N ATOM 1184 CZ ARG A 70 -10.061 5.244 -4.670 1.00 13.11 C ATOM 1185 NH1 ARG A 70 -10.477 5.360 -5.926 1.00 21.23 N ATOM 1186 NH2 ARG A 70 -10.904 5.466 -3.669 1.00 41.41 N ATOM 0 H ARG A 70 -6.177 1.553 -7.222 1.00 25.21 H new ATOM 0 HA ARG A 70 -7.413 0.579 -4.876 1.00 24.11 H new ATOM 0 HB2 ARG A 70 -8.433 2.525 -6.991 1.00 42.24 H new ATOM 0 HB3 ARG A 70 -9.108 2.331 -5.386 1.00 42.24 H new ATOM 0 HG2 ARG A 70 -6.920 3.044 -4.402 1.00 35.32 H new ATOM 0 HG3 ARG A 70 -6.287 3.284 -6.018 1.00 35.32 H new ATOM 0 HD2 ARG A 70 -6.978 5.435 -5.293 1.00 32.13 H new ATOM 0 HD3 ARG A 70 -8.212 4.910 -6.421 1.00 32.13 H new ATOM 0 HE ARG A 70 -8.530 4.765 -3.439 1.00 73.14 H new ATOM 0 HH11 ARG A 70 -9.830 5.187 -6.696 1.00 21.23 H new ATOM 0 HH12 ARG A 70 -11.443 5.622 -6.121 1.00 21.23 H new ATOM 0 HH21 ARG A 70 -10.586 5.375 -2.704 1.00 41.41 H new ATOM 0 HH22 ARG A 70 -11.870 5.728 -3.865 1.00 41.41 H new ATOM 1200 N GLU A 71 -8.607 -0.608 -7.629 1.00 54.12 N ATOM 1201 CA GLU A 71 -9.582 -1.555 -8.165 1.00 13.03 C ATOM 1202 C GLU A 71 -9.283 -2.969 -7.670 1.00 72.32 C ATOM 1203 O GLU A 71 -10.181 -3.692 -7.237 1.00 50.11 O ATOM 1204 CB GLU A 71 -9.577 -1.532 -9.695 1.00 32.25 C ATOM 1205 CG GLU A 71 -10.685 -2.363 -10.323 1.00 13.13 C ATOM 1206 CD GLU A 71 -10.570 -2.443 -11.832 1.00 54.54 C ATOM 1207 OE1 GLU A 71 -10.830 -1.427 -12.513 1.00 2.04 O ATOM 1208 OE2 GLU A 71 -10.216 -3.524 -12.348 1.00 64.15 O ATOM 0 H GLU A 71 -7.862 -0.350 -8.276 1.00 54.12 H new ATOM 0 HA GLU A 71 -10.569 -1.256 -7.813 1.00 13.03 H new ATOM 0 HB2 GLU A 71 -9.672 -0.500 -10.034 1.00 32.25 H new ATOM 0 HB3 GLU A 71 -8.614 -1.898 -10.052 1.00 32.25 H new ATOM 0 HG2 GLU A 71 -10.659 -3.370 -9.907 1.00 13.13 H new ATOM 0 HG3 GLU A 71 -11.651 -1.933 -10.058 1.00 13.13 H new ATOM 1215 N SER A 72 -8.009 -3.337 -7.712 1.00 61.45 N ATOM 1216 CA SER A 72 -7.575 -4.688 -7.371 1.00 62.23 C ATOM 1217 C SER A 72 -7.932 -5.058 -5.930 1.00 64.31 C ATOM 1218 O SER A 72 -8.263 -6.213 -5.640 1.00 64.53 O ATOM 1219 CB SER A 72 -6.068 -4.811 -7.593 1.00 20.54 C ATOM 1220 OG SER A 72 -5.733 -4.531 -8.943 1.00 50.44 O ATOM 0 H SER A 72 -7.250 -2.712 -7.982 1.00 61.45 H new ATOM 0 HA SER A 72 -8.102 -5.386 -8.022 1.00 62.23 H new ATOM 0 HB2 SER A 72 -5.541 -4.122 -6.933 1.00 20.54 H new ATOM 0 HB3 SER A 72 -5.738 -5.817 -7.333 1.00 20.54 H new ATOM 0 HG SER A 72 -5.624 -3.564 -9.059 1.00 50.44 H new ATOM 1226 N PHE A 73 -7.890 -4.074 -5.038 1.00 72.20 N ATOM 1227 CA PHE A 73 -8.195 -4.299 -3.627 1.00 1.44 C ATOM 1228 C PHE A 73 -9.649 -4.725 -3.421 1.00 11.42 C ATOM 1229 O PHE A 73 -9.973 -5.370 -2.429 1.00 45.12 O ATOM 1230 CB PHE A 73 -7.891 -3.046 -2.803 1.00 11.13 C ATOM 1231 CG PHE A 73 -6.443 -2.917 -2.410 1.00 21.54 C ATOM 1232 CD1 PHE A 73 -5.480 -2.595 -3.351 1.00 51.41 C ATOM 1233 CD2 PHE A 73 -6.048 -3.123 -1.097 1.00 65.41 C ATOM 1234 CE1 PHE A 73 -4.150 -2.480 -2.993 1.00 61.35 C ATOM 1235 CE2 PHE A 73 -4.719 -3.010 -0.732 1.00 14.31 C ATOM 1236 CZ PHE A 73 -3.769 -2.687 -1.682 1.00 61.13 C ATOM 0 H PHE A 73 -7.647 -3.110 -5.267 1.00 72.20 H new ATOM 0 HA PHE A 73 -7.557 -5.114 -3.284 1.00 1.44 H new ATOM 0 HB2 PHE A 73 -8.183 -2.166 -3.376 1.00 11.13 H new ATOM 0 HB3 PHE A 73 -8.503 -3.057 -1.901 1.00 11.13 H new ATOM 0 HD1 PHE A 73 -5.772 -2.432 -4.378 1.00 51.41 H new ATOM 0 HD2 PHE A 73 -6.787 -3.375 -0.351 1.00 65.41 H new ATOM 0 HE1 PHE A 73 -3.409 -2.229 -3.738 1.00 61.35 H new ATOM 0 HE2 PHE A 73 -4.424 -3.174 0.294 1.00 14.31 H new ATOM 0 HZ PHE A 73 -2.730 -2.597 -1.400 1.00 61.13 H new ATOM 1246 N ARG A 74 -10.521 -4.377 -4.360 1.00 31.54 N ATOM 1247 CA ARG A 74 -11.928 -4.752 -4.260 1.00 21.22 C ATOM 1248 C ARG A 74 -12.250 -5.867 -5.250 1.00 31.11 C ATOM 1249 O ARG A 74 -13.412 -6.159 -5.530 1.00 14.44 O ATOM 1250 CB ARG A 74 -12.833 -3.543 -4.518 1.00 74.22 C ATOM 1251 CG ARG A 74 -12.572 -2.374 -3.582 1.00 71.12 C ATOM 1252 CD ARG A 74 -13.653 -1.313 -3.710 1.00 72.20 C ATOM 1253 NE ARG A 74 -14.939 -1.780 -3.185 1.00 73.04 N ATOM 1254 CZ ARG A 74 -16.080 -1.772 -3.874 1.00 73.33 C ATOM 1255 NH1 ARG A 74 -16.115 -1.324 -5.122 1.00 71.43 N ATOM 1256 NH2 ARG A 74 -17.191 -2.218 -3.300 1.00 3.31 N ATOM 0 H ARG A 74 -10.282 -3.840 -5.194 1.00 31.54 H new ATOM 0 HA ARG A 74 -12.113 -5.112 -3.248 1.00 21.22 H new ATOM 0 HB2 ARG A 74 -12.696 -3.211 -5.547 1.00 74.22 H new ATOM 0 HB3 ARG A 74 -13.874 -3.851 -4.418 1.00 74.22 H new ATOM 0 HG2 ARG A 74 -12.530 -2.731 -2.553 1.00 71.12 H new ATOM 0 HG3 ARG A 74 -11.600 -1.935 -3.807 1.00 71.12 H new ATOM 0 HD2 ARG A 74 -13.346 -0.415 -3.174 1.00 72.20 H new ATOM 0 HD3 ARG A 74 -13.767 -1.035 -4.758 1.00 72.20 H new ATOM 0 HE ARG A 74 -14.963 -2.135 -2.229 1.00 73.04 H new ATOM 0 HH11 ARG A 74 -15.263 -0.981 -5.565 1.00 71.43 H new ATOM 0 HH12 ARG A 74 -16.994 -1.323 -5.639 1.00 71.43 H new ATOM 0 HH21 ARG A 74 -17.166 -2.563 -2.340 1.00 3.31 H new ATOM 0 HH22 ARG A 74 -18.069 -2.216 -3.819 1.00 3.31 H new ATOM 1270 N LEU A 75 -11.207 -6.488 -5.774 1.00 61.14 N ATOM 1271 CA LEU A 75 -11.360 -7.560 -6.747 1.00 65.43 C ATOM 1272 C LEU A 75 -10.855 -8.869 -6.147 1.00 3.21 C ATOM 1273 O LEU A 75 -11.539 -9.891 -6.178 1.00 22.32 O ATOM 1274 CB LEU A 75 -10.581 -7.207 -8.024 1.00 70.21 C ATOM 1275 CG LEU A 75 -10.944 -7.999 -9.291 1.00 20.13 C ATOM 1276 CD1 LEU A 75 -10.330 -7.332 -10.512 1.00 42.30 C ATOM 1277 CD2 LEU A 75 -10.476 -9.445 -9.203 1.00 2.11 C ATOM 0 H LEU A 75 -10.239 -6.268 -5.541 1.00 61.14 H new ATOM 0 HA LEU A 75 -12.412 -7.681 -7.004 1.00 65.43 H new ATOM 0 HB2 LEU A 75 -10.728 -6.147 -8.231 1.00 70.21 H new ATOM 0 HB3 LEU A 75 -9.519 -7.349 -7.826 1.00 70.21 H new ATOM 0 HG LEU A 75 -12.030 -8.003 -9.381 1.00 20.13 H new ATOM 0 HD11 LEU A 75 -10.591 -7.898 -11.406 1.00 42.30 H new ATOM 0 HD12 LEU A 75 -10.712 -6.315 -10.602 1.00 42.30 H new ATOM 0 HD13 LEU A 75 -9.246 -7.304 -10.404 1.00 42.30 H new ATOM 0 HD21 LEU A 75 -10.751 -9.973 -10.116 1.00 2.11 H new ATOM 0 HD22 LEU A 75 -9.393 -9.470 -9.081 1.00 2.11 H new ATOM 0 HD23 LEU A 75 -10.949 -9.929 -8.348 1.00 2.11 H new ATOM 1289 N ARG A 76 -9.656 -8.821 -5.591 1.00 14.21 N ATOM 1290 CA ARG A 76 -9.023 -9.996 -5.005 1.00 4.31 C ATOM 1291 C ARG A 76 -9.244 -9.995 -3.487 1.00 61.10 C ATOM 1292 O ARG A 76 -8.384 -10.418 -2.714 1.00 62.54 O ATOM 1293 CB ARG A 76 -7.524 -9.966 -5.336 1.00 23.14 C ATOM 1294 CG ARG A 76 -6.791 -11.283 -5.121 1.00 55.03 C ATOM 1295 CD ARG A 76 -6.928 -12.233 -6.308 1.00 64.12 C ATOM 1296 NE ARG A 76 -8.293 -12.731 -6.494 1.00 13.22 N ATOM 1297 CZ ARG A 76 -8.587 -14.016 -6.710 1.00 73.45 C ATOM 1298 NH1 ARG A 76 -7.633 -14.938 -6.672 1.00 52.04 N ATOM 1299 NH2 ARG A 76 -9.841 -14.389 -6.939 1.00 3.21 N ATOM 0 H ARG A 76 -9.094 -7.972 -5.532 1.00 14.21 H new ATOM 0 HA ARG A 76 -9.461 -10.906 -5.415 1.00 4.31 H new ATOM 0 HB2 ARG A 76 -7.403 -9.666 -6.377 1.00 23.14 H new ATOM 0 HB3 ARG A 76 -7.048 -9.199 -4.726 1.00 23.14 H new ATOM 0 HG2 ARG A 76 -5.735 -11.081 -4.942 1.00 55.03 H new ATOM 0 HG3 ARG A 76 -7.179 -11.768 -4.226 1.00 55.03 H new ATOM 0 HD2 ARG A 76 -6.609 -11.719 -7.215 1.00 64.12 H new ATOM 0 HD3 ARG A 76 -6.255 -13.079 -6.167 1.00 64.12 H new ATOM 0 HE ARG A 76 -9.061 -12.060 -6.457 1.00 13.22 H new ATOM 0 HH11 ARG A 76 -6.669 -14.667 -6.477 1.00 52.04 H new ATOM 0 HH12 ARG A 76 -7.864 -15.918 -6.838 1.00 52.04 H new ATOM 0 HH21 ARG A 76 -10.586 -13.693 -6.951 1.00 3.21 H new ATOM 0 HH22 ARG A 76 -10.059 -15.372 -7.103 1.00 3.21 H new ATOM 1313 N GLN A 77 -10.438 -9.569 -3.079 1.00 43.14 N ATOM 1314 CA GLN A 77 -10.722 -9.264 -1.677 1.00 15.43 C ATOM 1315 C GLN A 77 -10.771 -10.514 -0.791 1.00 14.23 C ATOM 1316 O GLN A 77 -10.738 -10.403 0.432 1.00 33.32 O ATOM 1317 CB GLN A 77 -12.041 -8.484 -1.544 1.00 4.50 C ATOM 1318 CG GLN A 77 -13.298 -9.317 -1.772 1.00 45.11 C ATOM 1319 CD GLN A 77 -13.492 -9.733 -3.217 1.00 51.21 C ATOM 1320 OE1 GLN A 77 -13.003 -10.778 -3.645 1.00 63.13 O ATOM 1321 NE2 GLN A 77 -14.228 -8.933 -3.966 1.00 0.10 N ATOM 0 H GLN A 77 -11.231 -9.426 -3.705 1.00 43.14 H new ATOM 0 HA GLN A 77 -9.894 -8.648 -1.327 1.00 15.43 H new ATOM 0 HB2 GLN A 77 -12.089 -8.044 -0.548 1.00 4.50 H new ATOM 0 HB3 GLN A 77 -12.033 -7.659 -2.257 1.00 4.50 H new ATOM 0 HG2 GLN A 77 -13.251 -10.210 -1.148 1.00 45.11 H new ATOM 0 HG3 GLN A 77 -14.167 -8.746 -1.446 1.00 45.11 H new ATOM 0 HE21 GLN A 77 -14.614 -8.076 -3.570 1.00 0.10 H new ATOM 0 HE22 GLN A 77 -14.411 -9.172 -4.941 1.00 0.10 H new ATOM 1330 N HIS A 78 -10.856 -11.698 -1.387 1.00 33.42 N ATOM 1331 CA HIS A 78 -10.939 -12.927 -0.596 1.00 5.20 C ATOM 1332 C HIS A 78 -9.563 -13.349 -0.109 1.00 32.23 C ATOM 1333 O HIS A 78 -9.425 -13.983 0.937 1.00 74.44 O ATOM 1334 CB HIS A 78 -11.531 -14.085 -1.403 1.00 25.44 C ATOM 1335 CG HIS A 78 -12.896 -13.834 -1.966 1.00 72.20 C ATOM 1336 ND1 HIS A 78 -13.348 -14.449 -3.112 1.00 35.10 N ATOM 1337 CD2 HIS A 78 -13.907 -13.040 -1.543 1.00 5.20 C ATOM 1338 CE1 HIS A 78 -14.575 -14.042 -3.373 1.00 23.35 C ATOM 1339 NE2 HIS A 78 -14.941 -13.184 -2.436 1.00 62.41 N ATOM 0 H HIS A 78 -10.869 -11.836 -2.398 1.00 33.42 H new ATOM 0 HA HIS A 78 -11.590 -12.707 0.250 1.00 5.20 H new ATOM 0 HB2 HIS A 78 -10.854 -14.319 -2.224 1.00 25.44 H new ATOM 0 HB3 HIS A 78 -11.575 -14.967 -0.765 1.00 25.44 H new ATOM 0 HD2 HIS A 78 -13.902 -12.410 -0.666 1.00 5.20 H new ATOM 0 HE1 HIS A 78 -15.179 -14.357 -4.211 1.00 23.35 H new ATOM 0 HE2 HIS A 78 -15.842 -12.708 -2.385 1.00 62.41 H new ATOM 1348 N GLU A 79 -8.547 -12.975 -0.868 1.00 41.40 N ATOM 1349 CA GLU A 79 -7.210 -13.513 -0.676 1.00 43.30 C ATOM 1350 C GLU A 79 -6.420 -12.717 0.362 1.00 20.21 C ATOM 1351 O GLU A 79 -5.470 -13.231 0.953 1.00 74.53 O ATOM 1352 CB GLU A 79 -6.463 -13.511 -2.010 1.00 31.20 C ATOM 1353 CG GLU A 79 -7.297 -13.999 -3.185 1.00 62.13 C ATOM 1354 CD GLU A 79 -7.667 -15.461 -3.093 1.00 42.51 C ATOM 1355 OE1 GLU A 79 -6.889 -16.303 -3.592 1.00 23.00 O ATOM 1356 OE2 GLU A 79 -8.741 -15.775 -2.543 1.00 3.01 O ATOM 0 H GLU A 79 -8.623 -12.298 -1.627 1.00 41.40 H new ATOM 0 HA GLU A 79 -7.308 -14.533 -0.304 1.00 43.30 H new ATOM 0 HB2 GLU A 79 -6.116 -12.499 -2.219 1.00 31.20 H new ATOM 0 HB3 GLU A 79 -5.577 -14.140 -1.920 1.00 31.20 H new ATOM 0 HG2 GLU A 79 -8.209 -13.404 -3.246 1.00 62.13 H new ATOM 0 HG3 GLU A 79 -6.744 -13.829 -4.109 1.00 62.13 H new ATOM 1363 N LEU A 80 -6.806 -11.467 0.586 1.00 2.14 N ATOM 1364 CA LEU A 80 -6.078 -10.620 1.522 1.00 62.20 C ATOM 1365 C LEU A 80 -6.971 -10.223 2.693 1.00 55.23 C ATOM 1366 O LEU A 80 -8.195 -10.188 2.563 1.00 63.04 O ATOM 1367 CB LEU A 80 -5.522 -9.361 0.825 1.00 3.44 C ATOM 1368 CG LEU A 80 -6.502 -8.189 0.641 1.00 43.12 C ATOM 1369 CD1 LEU A 80 -5.756 -6.935 0.212 1.00 12.43 C ATOM 1370 CD2 LEU A 80 -7.573 -8.523 -0.382 1.00 14.12 C ATOM 0 H LEU A 80 -7.608 -11.022 0.139 1.00 2.14 H new ATOM 0 HA LEU A 80 -5.234 -11.196 1.902 1.00 62.20 H new ATOM 0 HB2 LEU A 80 -4.666 -9.004 1.398 1.00 3.44 H new ATOM 0 HB3 LEU A 80 -5.149 -9.651 -0.157 1.00 3.44 H new ATOM 0 HG LEU A 80 -6.986 -8.009 1.601 1.00 43.12 H new ATOM 0 HD11 LEU A 80 -6.464 -6.116 0.086 1.00 12.43 H new ATOM 0 HD12 LEU A 80 -5.024 -6.668 0.974 1.00 12.43 H new ATOM 0 HD13 LEU A 80 -5.245 -7.121 -0.733 1.00 12.43 H new ATOM 0 HD21 LEU A 80 -8.250 -7.676 -0.490 1.00 14.12 H new ATOM 0 HD22 LEU A 80 -7.104 -8.738 -1.342 1.00 14.12 H new ATOM 0 HD23 LEU A 80 -8.135 -9.396 -0.049 1.00 14.12 H new ATOM 1382 N PRO A 81 -6.372 -9.954 3.863 1.00 30.13 N ATOM 1383 CA PRO A 81 -7.107 -9.477 5.033 1.00 55.11 C ATOM 1384 C PRO A 81 -7.582 -8.038 4.850 1.00 33.12 C ATOM 1385 O PRO A 81 -6.951 -7.254 4.137 1.00 71.04 O ATOM 1386 CB PRO A 81 -6.083 -9.556 6.177 1.00 60.44 C ATOM 1387 CG PRO A 81 -4.916 -10.310 5.630 1.00 22.31 C ATOM 1388 CD PRO A 81 -4.941 -10.107 4.145 1.00 44.55 C ATOM 0 HA PRO A 81 -8.004 -10.068 5.217 1.00 55.11 H new ATOM 0 HB2 PRO A 81 -5.786 -8.560 6.505 1.00 60.44 H new ATOM 0 HB3 PRO A 81 -6.505 -10.064 7.044 1.00 60.44 H new ATOM 0 HG2 PRO A 81 -3.982 -9.944 6.057 1.00 22.31 H new ATOM 0 HG3 PRO A 81 -4.986 -11.369 5.879 1.00 22.31 H new ATOM 0 HD2 PRO A 81 -4.373 -9.225 3.848 1.00 44.55 H new ATOM 0 HD3 PRO A 81 -4.512 -10.956 3.613 1.00 44.55 H new ATOM 1396 N ALA A 82 -8.692 -7.694 5.493 1.00 63.33 N ATOM 1397 CA ALA A 82 -9.238 -6.347 5.410 1.00 42.15 C ATOM 1398 C ALA A 82 -8.424 -5.376 6.258 1.00 32.42 C ATOM 1399 O ALA A 82 -8.800 -5.038 7.381 1.00 43.31 O ATOM 1400 CB ALA A 82 -10.701 -6.335 5.826 1.00 61.51 C ATOM 0 H ALA A 82 -9.232 -8.332 6.078 1.00 63.33 H new ATOM 0 HA ALA A 82 -9.176 -6.019 4.372 1.00 42.15 H new ATOM 0 HB1 ALA A 82 -11.091 -5.319 5.757 1.00 61.51 H new ATOM 0 HB2 ALA A 82 -11.272 -6.988 5.166 1.00 61.51 H new ATOM 0 HB3 ALA A 82 -10.790 -6.689 6.853 1.00 61.51 H new ATOM 1406 N MET A 83 -7.289 -4.963 5.720 1.00 52.43 N ATOM 1407 CA MET A 83 -6.411 -4.015 6.388 1.00 13.01 C ATOM 1408 C MET A 83 -6.055 -2.899 5.425 1.00 34.30 C ATOM 1409 O MET A 83 -6.076 -3.099 4.210 1.00 4.12 O ATOM 1410 CB MET A 83 -5.137 -4.709 6.886 1.00 10.34 C ATOM 1411 CG MET A 83 -5.403 -5.826 7.881 1.00 22.43 C ATOM 1412 SD MET A 83 -3.900 -6.680 8.392 1.00 73.00 S ATOM 1413 CE MET A 83 -4.578 -7.917 9.495 1.00 51.53 C ATOM 0 H MET A 83 -6.950 -5.274 4.810 1.00 52.43 H new ATOM 0 HA MET A 83 -6.930 -3.601 7.253 1.00 13.01 H new ATOM 0 HB2 MET A 83 -4.597 -5.116 6.031 1.00 10.34 H new ATOM 0 HB3 MET A 83 -4.487 -3.967 7.350 1.00 10.34 H new ATOM 0 HG2 MET A 83 -5.897 -5.413 8.760 1.00 22.43 H new ATOM 0 HG3 MET A 83 -6.091 -6.545 7.437 1.00 22.43 H new ATOM 0 HE1 MET A 83 -3.770 -8.529 9.896 1.00 51.53 H new ATOM 0 HE2 MET A 83 -5.102 -7.426 10.315 1.00 51.53 H new ATOM 0 HE3 MET A 83 -5.276 -8.550 8.947 1.00 51.53 H new ATOM 1423 N ASP A 84 -5.748 -1.726 5.952 1.00 13.15 N ATOM 1424 CA ASP A 84 -5.459 -0.584 5.106 1.00 15.21 C ATOM 1425 C ASP A 84 -3.985 -0.553 4.724 1.00 41.34 C ATOM 1426 O ASP A 84 -3.107 -0.269 5.539 1.00 11.41 O ATOM 1427 CB ASP A 84 -5.893 0.732 5.769 1.00 1.13 C ATOM 1428 CG ASP A 84 -5.195 1.024 7.085 1.00 5.13 C ATOM 1429 OD1 ASP A 84 -5.241 0.164 7.993 1.00 32.42 O ATOM 1430 OD2 ASP A 84 -4.645 2.136 7.226 1.00 14.33 O ATOM 0 H ASP A 84 -5.693 -1.541 6.954 1.00 13.15 H new ATOM 0 HA ASP A 84 -6.041 -0.691 4.191 1.00 15.21 H new ATOM 0 HB2 ASP A 84 -5.702 1.554 5.079 1.00 1.13 H new ATOM 0 HB3 ASP A 84 -6.969 0.702 5.940 1.00 1.13 H new ATOM 1435 N PHE A 85 -3.725 -0.897 3.478 1.00 42.22 N ATOM 1436 CA PHE A 85 -2.385 -0.837 2.931 1.00 1.45 C ATOM 1437 C PHE A 85 -2.253 0.416 2.081 1.00 25.24 C ATOM 1438 O PHE A 85 -2.721 0.454 0.943 1.00 74.43 O ATOM 1439 CB PHE A 85 -2.089 -2.090 2.097 1.00 74.42 C ATOM 1440 CG PHE A 85 -2.277 -3.378 2.854 1.00 10.23 C ATOM 1441 CD1 PHE A 85 -1.282 -3.861 3.686 1.00 3.01 C ATOM 1442 CD2 PHE A 85 -3.455 -4.099 2.738 1.00 23.03 C ATOM 1443 CE1 PHE A 85 -1.456 -5.038 4.389 1.00 11.02 C ATOM 1444 CE2 PHE A 85 -3.634 -5.278 3.438 1.00 30.33 C ATOM 1445 CZ PHE A 85 -2.634 -5.747 4.266 1.00 54.32 C ATOM 0 H PHE A 85 -4.432 -1.224 2.820 1.00 42.22 H new ATOM 0 HA PHE A 85 -1.661 -0.799 3.745 1.00 1.45 H new ATOM 0 HB2 PHE A 85 -2.738 -2.095 1.222 1.00 74.42 H new ATOM 0 HB3 PHE A 85 -1.063 -2.039 1.732 1.00 74.42 H new ATOM 0 HD1 PHE A 85 -0.358 -3.311 3.787 1.00 3.01 H new ATOM 0 HD2 PHE A 85 -4.242 -3.736 2.094 1.00 23.03 H new ATOM 0 HE1 PHE A 85 -0.671 -5.403 5.034 1.00 11.02 H new ATOM 0 HE2 PHE A 85 -4.556 -5.832 3.337 1.00 30.33 H new ATOM 0 HZ PHE A 85 -2.773 -6.666 4.816 1.00 54.32 H new ATOM 1455 N VAL A 86 -1.650 1.448 2.647 1.00 41.44 N ATOM 1456 CA VAL A 86 -1.517 2.713 1.951 1.00 42.24 C ATOM 1457 C VAL A 86 -0.439 2.620 0.875 1.00 22.42 C ATOM 1458 O VAL A 86 0.704 2.240 1.140 1.00 71.00 O ATOM 1459 CB VAL A 86 -1.220 3.883 2.924 1.00 5.55 C ATOM 1460 CG1 VAL A 86 0.042 3.632 3.737 1.00 64.33 C ATOM 1461 CG2 VAL A 86 -1.117 5.199 2.167 1.00 24.12 C ATOM 0 H VAL A 86 -1.247 1.433 3.584 1.00 41.44 H new ATOM 0 HA VAL A 86 -2.474 2.925 1.474 1.00 42.24 H new ATOM 0 HB VAL A 86 -2.054 3.948 3.623 1.00 5.55 H new ATOM 0 HG11 VAL A 86 0.217 4.474 4.407 1.00 64.33 H new ATOM 0 HG12 VAL A 86 -0.078 2.721 4.323 1.00 64.33 H new ATOM 0 HG13 VAL A 86 0.892 3.521 3.064 1.00 64.33 H new ATOM 0 HG21 VAL A 86 -0.908 6.007 2.868 1.00 24.12 H new ATOM 0 HG22 VAL A 86 -0.311 5.136 1.436 1.00 24.12 H new ATOM 0 HG23 VAL A 86 -2.058 5.398 1.654 1.00 24.12 H new ATOM 1471 N VAL A 87 -0.822 2.945 -0.347 1.00 70.14 N ATOM 1472 CA VAL A 87 0.092 2.877 -1.470 1.00 33.23 C ATOM 1473 C VAL A 87 0.734 4.239 -1.705 1.00 55.34 C ATOM 1474 O VAL A 87 0.042 5.234 -1.922 1.00 72.02 O ATOM 1475 CB VAL A 87 -0.630 2.414 -2.754 1.00 62.45 C ATOM 1476 CG1 VAL A 87 0.355 2.281 -3.905 1.00 75.33 C ATOM 1477 CG2 VAL A 87 -1.356 1.098 -2.509 1.00 64.41 C ATOM 0 H VAL A 87 -1.763 3.259 -0.586 1.00 70.14 H new ATOM 0 HA VAL A 87 0.864 2.146 -1.229 1.00 33.23 H new ATOM 0 HB VAL A 87 -1.369 3.168 -3.026 1.00 62.45 H new ATOM 0 HG11 VAL A 87 -0.174 1.954 -4.800 1.00 75.33 H new ATOM 0 HG12 VAL A 87 0.826 3.246 -4.094 1.00 75.33 H new ATOM 0 HG13 VAL A 87 1.119 1.548 -3.647 1.00 75.33 H new ATOM 0 HG21 VAL A 87 -1.860 0.785 -3.423 1.00 64.41 H new ATOM 0 HG22 VAL A 87 -0.636 0.335 -2.212 1.00 64.41 H new ATOM 0 HG23 VAL A 87 -2.092 1.231 -1.716 1.00 64.41 H new ATOM 1487 N VAL A 88 2.052 4.284 -1.632 1.00 70.41 N ATOM 1488 CA VAL A 88 2.786 5.516 -1.864 1.00 12.34 C ATOM 1489 C VAL A 88 3.612 5.395 -3.136 1.00 50.13 C ATOM 1490 O VAL A 88 4.469 4.519 -3.252 1.00 42.24 O ATOM 1491 CB VAL A 88 3.709 5.865 -0.676 1.00 44.13 C ATOM 1492 CG1 VAL A 88 4.425 7.186 -0.918 1.00 72.23 C ATOM 1493 CG2 VAL A 88 2.917 5.912 0.622 1.00 44.44 C ATOM 0 H VAL A 88 2.638 3.479 -1.413 1.00 70.41 H new ATOM 0 HA VAL A 88 2.058 6.320 -1.970 1.00 12.34 H new ATOM 0 HB VAL A 88 4.463 5.082 -0.589 1.00 44.13 H new ATOM 0 HG11 VAL A 88 5.069 7.412 -0.068 1.00 72.23 H new ATOM 0 HG12 VAL A 88 5.029 7.112 -1.822 1.00 72.23 H new ATOM 0 HG13 VAL A 88 3.690 7.982 -1.037 1.00 72.23 H new ATOM 0 HG21 VAL A 88 3.585 6.159 1.447 1.00 44.44 H new ATOM 0 HG22 VAL A 88 2.138 6.671 0.546 1.00 44.44 H new ATOM 0 HG23 VAL A 88 2.460 4.940 0.805 1.00 44.44 H new ATOM 1503 N ALA A 89 3.341 6.266 -4.090 1.00 24.35 N ATOM 1504 CA ALA A 89 4.020 6.219 -5.373 1.00 33.32 C ATOM 1505 C ALA A 89 5.244 7.120 -5.363 1.00 62.01 C ATOM 1506 O ALA A 89 5.163 8.290 -4.988 1.00 4.25 O ATOM 1507 CB ALA A 89 3.070 6.620 -6.492 1.00 61.31 C ATOM 0 H ALA A 89 2.655 7.016 -4.001 1.00 24.35 H new ATOM 0 HA ALA A 89 4.350 5.196 -5.551 1.00 33.32 H new ATOM 0 HB1 ALA A 89 3.595 6.580 -7.447 1.00 61.31 H new ATOM 0 HB2 ALA A 89 2.223 5.934 -6.514 1.00 61.31 H new ATOM 0 HB3 ALA A 89 2.711 7.634 -6.318 1.00 61.31 H new ATOM 1513 N LYS A 90 6.380 6.563 -5.749 1.00 62.41 N ATOM 1514 CA LYS A 90 7.613 7.326 -5.841 1.00 12.13 C ATOM 1515 C LYS A 90 7.763 7.881 -7.248 1.00 43.42 C ATOM 1516 O LYS A 90 7.192 7.338 -8.196 1.00 20.00 O ATOM 1517 CB LYS A 90 8.817 6.440 -5.509 1.00 4.55 C ATOM 1518 CG LYS A 90 8.748 5.746 -4.151 1.00 21.50 C ATOM 1519 CD LYS A 90 9.030 6.694 -2.992 1.00 22.23 C ATOM 1520 CE LYS A 90 7.793 7.472 -2.565 1.00 43.33 C ATOM 1521 NZ LYS A 90 8.060 8.313 -1.370 1.00 63.13 N ATOM 0 H LYS A 90 6.473 5.580 -6.005 1.00 62.41 H new ATOM 0 HA LYS A 90 7.573 8.146 -5.124 1.00 12.13 H new ATOM 0 HB2 LYS A 90 8.916 5.680 -6.285 1.00 4.55 H new ATOM 0 HB3 LYS A 90 9.720 7.050 -5.544 1.00 4.55 H new ATOM 0 HG2 LYS A 90 7.759 5.305 -4.022 1.00 21.50 H new ATOM 0 HG3 LYS A 90 9.467 4.927 -4.129 1.00 21.50 H new ATOM 0 HD2 LYS A 90 9.408 6.124 -2.143 1.00 22.23 H new ATOM 0 HD3 LYS A 90 9.814 7.394 -3.281 1.00 22.23 H new ATOM 0 HE2 LYS A 90 7.458 8.104 -3.388 1.00 43.33 H new ATOM 0 HE3 LYS A 90 6.983 6.776 -2.347 1.00 43.33 H new ATOM 0 HZ1 LYS A 90 7.195 8.828 -1.108 1.00 63.13 H new ATOM 0 HZ2 LYS A 90 8.355 7.707 -0.578 1.00 63.13 H new ATOM 0 HZ3 LYS A 90 8.816 8.993 -1.586 1.00 63.13 H new ATOM 1535 N LYS A 91 8.525 8.955 -7.391 1.00 4.10 N ATOM 1536 CA LYS A 91 8.731 9.558 -8.697 1.00 24.42 C ATOM 1537 C LYS A 91 9.487 8.601 -9.612 1.00 15.32 C ATOM 1538 O LYS A 91 10.449 7.953 -9.198 1.00 32.43 O ATOM 1539 CB LYS A 91 9.475 10.892 -8.575 1.00 72.25 C ATOM 1540 CG LYS A 91 10.864 10.784 -7.962 1.00 53.52 C ATOM 1541 CD LYS A 91 11.540 12.143 -7.874 1.00 25.42 C ATOM 1542 CE LYS A 91 11.736 12.778 -9.245 1.00 0.43 C ATOM 1543 NZ LYS A 91 12.704 12.022 -10.086 1.00 3.11 N ATOM 0 H LYS A 91 9.007 9.423 -6.624 1.00 4.10 H new ATOM 0 HA LYS A 91 7.754 9.758 -9.137 1.00 24.42 H new ATOM 0 HB2 LYS A 91 9.562 11.337 -9.566 1.00 72.25 H new ATOM 0 HB3 LYS A 91 8.877 11.574 -7.971 1.00 72.25 H new ATOM 0 HG2 LYS A 91 10.791 10.348 -6.966 1.00 53.52 H new ATOM 0 HG3 LYS A 91 11.476 10.110 -8.561 1.00 53.52 H new ATOM 0 HD2 LYS A 91 10.940 12.806 -7.251 1.00 25.42 H new ATOM 0 HD3 LYS A 91 12.508 12.035 -7.384 1.00 25.42 H new ATOM 0 HE2 LYS A 91 10.776 12.831 -9.759 1.00 0.43 H new ATOM 0 HE3 LYS A 91 12.088 13.802 -9.121 1.00 0.43 H new ATOM 0 HZ1 LYS A 91 12.856 12.529 -10.982 1.00 3.11 H new ATOM 0 HZ2 LYS A 91 13.609 11.934 -9.580 1.00 3.11 H new ATOM 0 HZ3 LYS A 91 12.325 11.074 -10.284 1.00 3.11 H new ATOM 1557 N GLY A 92 9.034 8.499 -10.851 1.00 64.31 N ATOM 1558 CA GLY A 92 9.665 7.599 -11.796 1.00 72.30 C ATOM 1559 C GLY A 92 8.820 6.374 -12.073 1.00 31.43 C ATOM 1560 O GLY A 92 9.113 5.601 -12.983 1.00 63.43 O ATOM 0 H GLY A 92 8.241 9.023 -11.221 1.00 64.31 H new ATOM 0 HA2 GLY A 92 9.851 8.129 -12.730 1.00 72.30 H new ATOM 0 HA3 GLY A 92 10.635 7.289 -11.407 1.00 72.30 H new ATOM 1564 N VAL A 93 7.757 6.202 -11.290 1.00 2.23 N ATOM 1565 CA VAL A 93 6.842 5.075 -11.464 1.00 13.25 C ATOM 1566 C VAL A 93 6.150 5.141 -12.831 1.00 22.11 C ATOM 1567 O VAL A 93 5.726 4.127 -13.379 1.00 62.50 O ATOM 1568 CB VAL A 93 5.782 5.039 -10.331 1.00 64.01 C ATOM 1569 CG1 VAL A 93 4.868 6.254 -10.396 1.00 13.51 C ATOM 1570 CG2 VAL A 93 4.974 3.749 -10.374 1.00 20.23 C ATOM 0 H VAL A 93 7.507 6.831 -10.527 1.00 2.23 H new ATOM 0 HA VAL A 93 7.431 4.159 -11.415 1.00 13.25 H new ATOM 0 HB VAL A 93 6.314 5.069 -9.380 1.00 64.01 H new ATOM 0 HG11 VAL A 93 4.136 6.202 -9.590 1.00 13.51 H new ATOM 0 HG12 VAL A 93 5.462 7.162 -10.289 1.00 13.51 H new ATOM 0 HG13 VAL A 93 4.351 6.270 -11.356 1.00 13.51 H new ATOM 0 HG21 VAL A 93 4.240 3.753 -9.569 1.00 20.23 H new ATOM 0 HG22 VAL A 93 4.461 3.673 -11.333 1.00 20.23 H new ATOM 0 HG23 VAL A 93 5.642 2.897 -10.252 1.00 20.23 H new ATOM 1580 N ALA A 94 6.079 6.344 -13.392 1.00 24.12 N ATOM 1581 CA ALA A 94 5.423 6.557 -14.674 1.00 55.05 C ATOM 1582 C ALA A 94 6.390 6.345 -15.835 1.00 5.42 C ATOM 1583 O ALA A 94 6.076 6.657 -16.983 1.00 61.31 O ATOM 1584 CB ALA A 94 4.833 7.957 -14.728 1.00 1.31 C ATOM 0 H ALA A 94 6.470 7.189 -12.975 1.00 24.12 H new ATOM 0 HA ALA A 94 4.621 5.825 -14.771 1.00 55.05 H new ATOM 0 HB1 ALA A 94 4.344 8.109 -15.690 1.00 1.31 H new ATOM 0 HB2 ALA A 94 4.103 8.075 -13.927 1.00 1.31 H new ATOM 0 HB3 ALA A 94 5.628 8.692 -14.605 1.00 1.31 H new ATOM 1590 N ASP A 95 7.571 5.821 -15.533 1.00 65.43 N ATOM 1591 CA ASP A 95 8.574 5.565 -16.562 1.00 22.02 C ATOM 1592 C ASP A 95 8.628 4.071 -16.875 1.00 61.14 C ATOM 1593 O ASP A 95 9.542 3.581 -17.538 1.00 61.41 O ATOM 1594 CB ASP A 95 9.947 6.074 -16.107 1.00 12.55 C ATOM 1595 CG ASP A 95 10.987 6.034 -17.211 1.00 10.13 C ATOM 1596 OD1 ASP A 95 10.861 6.811 -18.183 1.00 64.21 O ATOM 1597 OD2 ASP A 95 11.932 5.220 -17.116 1.00 40.12 O ATOM 0 H ASP A 95 7.858 5.565 -14.588 1.00 65.43 H new ATOM 0 HA ASP A 95 8.297 6.101 -17.470 1.00 22.02 H new ATOM 0 HB2 ASP A 95 9.848 7.097 -15.745 1.00 12.55 H new ATOM 0 HB3 ASP A 95 10.292 5.471 -15.267 1.00 12.55 H new ATOM 1602 N LEU A 96 7.627 3.349 -16.402 1.00 61.24 N ATOM 1603 CA LEU A 96 7.547 1.918 -16.639 1.00 0.53 C ATOM 1604 C LEU A 96 6.814 1.629 -17.944 1.00 12.14 C ATOM 1605 O LEU A 96 6.024 2.446 -18.419 1.00 51.24 O ATOM 1606 CB LEU A 96 6.833 1.223 -15.474 1.00 71.20 C ATOM 1607 CG LEU A 96 7.508 1.380 -14.109 1.00 61.31 C ATOM 1608 CD1 LEU A 96 6.681 0.707 -13.026 1.00 20.33 C ATOM 1609 CD2 LEU A 96 8.918 0.806 -14.134 1.00 20.32 C ATOM 0 H LEU A 96 6.858 3.730 -15.851 1.00 61.24 H new ATOM 0 HA LEU A 96 8.562 1.528 -16.715 1.00 0.53 H new ATOM 0 HB2 LEU A 96 5.818 1.613 -15.406 1.00 71.20 H new ATOM 0 HB3 LEU A 96 6.751 0.160 -15.701 1.00 71.20 H new ATOM 0 HG LEU A 96 7.576 2.444 -13.883 1.00 61.31 H new ATOM 0 HD11 LEU A 96 7.176 0.828 -12.062 1.00 20.33 H new ATOM 0 HD12 LEU A 96 5.692 1.164 -12.987 1.00 20.33 H new ATOM 0 HD13 LEU A 96 6.581 -0.355 -13.251 1.00 20.33 H new ATOM 0 HD21 LEU A 96 9.378 0.929 -13.154 1.00 20.32 H new ATOM 0 HD22 LEU A 96 8.875 -0.254 -14.385 1.00 20.32 H new ATOM 0 HD23 LEU A 96 9.512 1.332 -14.882 1.00 20.32 H new ATOM 1621 N ASP A 97 7.110 0.482 -18.537 1.00 33.12 N ATOM 1622 CA ASP A 97 6.405 0.021 -19.728 1.00 54.30 C ATOM 1623 C ASP A 97 4.982 -0.403 -19.368 1.00 60.14 C ATOM 1624 O ASP A 97 4.748 -0.956 -18.294 1.00 21.01 O ATOM 1625 CB ASP A 97 7.176 -1.140 -20.370 1.00 22.52 C ATOM 1626 CG ASP A 97 6.358 -1.929 -21.374 1.00 13.03 C ATOM 1627 OD1 ASP A 97 5.820 -1.327 -22.327 1.00 75.20 O ATOM 1628 OD2 ASP A 97 6.245 -3.160 -21.206 1.00 4.50 O ATOM 0 H ASP A 97 7.839 -0.152 -18.211 1.00 33.12 H new ATOM 0 HA ASP A 97 6.343 0.837 -20.448 1.00 54.30 H new ATOM 0 HB2 ASP A 97 8.063 -0.746 -20.866 1.00 22.52 H new ATOM 0 HB3 ASP A 97 7.522 -1.814 -19.586 1.00 22.52 H new ATOM 1633 N ASN A 98 4.037 -0.136 -20.269 1.00 55.41 N ATOM 1634 CA ASN A 98 2.624 -0.434 -20.027 1.00 24.03 C ATOM 1635 C ASN A 98 2.414 -1.923 -19.769 1.00 42.14 C ATOM 1636 O ASN A 98 1.653 -2.311 -18.883 1.00 22.44 O ATOM 1637 CB ASN A 98 1.774 0.023 -21.216 1.00 71.00 C ATOM 1638 CG ASN A 98 0.293 -0.239 -21.009 1.00 63.32 C ATOM 1639 OD1 ASN A 98 -0.221 -1.297 -21.377 1.00 45.24 O ATOM 1640 ND2 ASN A 98 -0.401 0.722 -20.417 1.00 42.32 N ATOM 0 H ASN A 98 4.225 0.288 -21.177 1.00 55.41 H new ATOM 0 HA ASN A 98 2.310 0.112 -19.137 1.00 24.03 H new ATOM 0 HB2 ASN A 98 1.931 1.089 -21.382 1.00 71.00 H new ATOM 0 HB3 ASN A 98 2.108 -0.492 -22.116 1.00 71.00 H new ATOM 0 HD21 ASN A 98 -1.400 0.601 -20.250 1.00 42.32 H new ATOM 0 HD22 ASN A 98 0.064 1.583 -20.128 1.00 42.32 H new ATOM 1647 N ARG A 99 3.108 -2.751 -20.535 1.00 64.14 N ATOM 1648 CA ARG A 99 3.056 -4.196 -20.346 1.00 52.21 C ATOM 1649 C ARG A 99 3.683 -4.575 -19.006 1.00 74.32 C ATOM 1650 O ARG A 99 3.145 -5.402 -18.265 1.00 61.12 O ATOM 1651 CB ARG A 99 3.792 -4.894 -21.493 1.00 63.15 C ATOM 1652 CG ARG A 99 4.157 -6.344 -21.217 1.00 32.15 C ATOM 1653 CD ARG A 99 5.283 -6.792 -22.130 1.00 41.41 C ATOM 1654 NE ARG A 99 6.426 -5.879 -22.063 1.00 4.24 N ATOM 1655 CZ ARG A 99 7.575 -6.071 -22.703 1.00 51.35 C ATOM 1656 NH1 ARG A 99 7.760 -7.160 -23.442 1.00 22.04 N ATOM 1657 NH2 ARG A 99 8.543 -5.172 -22.596 1.00 2.13 N ATOM 0 H ARG A 99 3.716 -2.448 -21.296 1.00 64.14 H new ATOM 0 HA ARG A 99 2.015 -4.518 -20.345 1.00 52.21 H new ATOM 0 HB2 ARG A 99 3.169 -4.853 -22.386 1.00 63.15 H new ATOM 0 HB3 ARG A 99 4.703 -4.339 -21.714 1.00 63.15 H new ATOM 0 HG2 ARG A 99 4.458 -6.457 -20.176 1.00 32.15 H new ATOM 0 HG3 ARG A 99 3.284 -6.980 -21.367 1.00 32.15 H new ATOM 0 HD2 ARG A 99 5.602 -7.796 -21.850 1.00 41.41 H new ATOM 0 HD3 ARG A 99 4.920 -6.847 -23.156 1.00 41.41 H new ATOM 0 HE ARG A 99 6.334 -5.042 -21.488 1.00 4.24 H new ATOM 0 HH11 ARG A 99 7.018 -7.855 -23.521 1.00 22.04 H new ATOM 0 HH12 ARG A 99 8.644 -7.301 -23.930 1.00 22.04 H new ATOM 0 HH21 ARG A 99 8.404 -4.338 -22.025 1.00 2.13 H new ATOM 0 HH22 ARG A 99 9.427 -5.314 -23.085 1.00 2.13 H new ATOM 1671 N ALA A 100 4.810 -3.939 -18.696 1.00 41.43 N ATOM 1672 CA ALA A 100 5.550 -4.210 -17.466 1.00 22.25 C ATOM 1673 C ALA A 100 4.734 -3.872 -16.222 1.00 3.32 C ATOM 1674 O ALA A 100 5.007 -4.389 -15.138 1.00 42.14 O ATOM 1675 CB ALA A 100 6.861 -3.439 -17.461 1.00 73.31 C ATOM 0 H ALA A 100 5.235 -3.224 -19.287 1.00 41.43 H new ATOM 0 HA ALA A 100 5.760 -5.279 -17.439 1.00 22.25 H new ATOM 0 HB1 ALA A 100 7.403 -3.649 -16.539 1.00 73.31 H new ATOM 0 HB2 ALA A 100 7.466 -3.744 -18.315 1.00 73.31 H new ATOM 0 HB3 ALA A 100 6.655 -2.371 -17.525 1.00 73.31 H new ATOM 1681 N LEU A 101 3.736 -3.007 -16.376 1.00 42.33 N ATOM 1682 CA LEU A 101 2.855 -2.648 -15.270 1.00 61.23 C ATOM 1683 C LEU A 101 2.124 -3.879 -14.743 1.00 1.02 C ATOM 1684 O LEU A 101 2.047 -4.100 -13.534 1.00 10.32 O ATOM 1685 CB LEU A 101 1.835 -1.593 -15.710 1.00 53.52 C ATOM 1686 CG LEU A 101 2.426 -0.252 -16.151 1.00 15.14 C ATOM 1687 CD1 LEU A 101 1.331 0.672 -16.661 1.00 73.21 C ATOM 1688 CD2 LEU A 101 3.172 0.405 -15.002 1.00 54.42 C ATOM 0 H LEU A 101 3.517 -2.541 -17.257 1.00 42.33 H new ATOM 0 HA LEU A 101 3.471 -2.233 -14.473 1.00 61.23 H new ATOM 0 HB2 LEU A 101 1.248 -2.001 -16.533 1.00 53.52 H new ATOM 0 HB3 LEU A 101 1.145 -1.413 -14.886 1.00 53.52 H new ATOM 0 HG LEU A 101 3.130 -0.439 -16.962 1.00 15.14 H new ATOM 0 HD11 LEU A 101 1.770 1.621 -16.970 1.00 73.21 H new ATOM 0 HD12 LEU A 101 0.831 0.209 -17.512 1.00 73.21 H new ATOM 0 HD13 LEU A 101 0.606 0.850 -15.867 1.00 73.21 H new ATOM 0 HD21 LEU A 101 3.585 1.357 -15.334 1.00 54.42 H new ATOM 0 HD22 LEU A 101 2.485 0.577 -14.173 1.00 54.42 H new ATOM 0 HD23 LEU A 101 3.981 -0.247 -14.673 1.00 54.42 H new ATOM 1700 N SER A 102 1.601 -4.684 -15.657 1.00 52.34 N ATOM 1701 CA SER A 102 0.883 -5.893 -15.285 1.00 34.51 C ATOM 1702 C SER A 102 1.851 -6.923 -14.708 1.00 3.41 C ATOM 1703 O SER A 102 1.504 -7.688 -13.804 1.00 10.33 O ATOM 1704 CB SER A 102 0.151 -6.463 -16.504 1.00 13.32 C ATOM 1705 OG SER A 102 -0.655 -7.577 -16.155 1.00 55.20 O ATOM 0 H SER A 102 1.661 -4.521 -16.662 1.00 52.34 H new ATOM 0 HA SER A 102 0.145 -5.648 -14.521 1.00 34.51 H new ATOM 0 HB2 SER A 102 -0.472 -5.688 -16.950 1.00 13.32 H new ATOM 0 HB3 SER A 102 0.878 -6.762 -17.259 1.00 13.32 H new ATOM 0 HG SER A 102 -1.109 -7.916 -16.955 1.00 55.20 H new ATOM 1711 N GLU A 103 3.081 -6.908 -15.212 1.00 4.43 N ATOM 1712 CA GLU A 103 4.115 -7.827 -14.756 1.00 4.44 C ATOM 1713 C GLU A 103 4.596 -7.444 -13.359 1.00 13.22 C ATOM 1714 O GLU A 103 5.163 -8.262 -12.637 1.00 42.25 O ATOM 1715 CB GLU A 103 5.293 -7.820 -15.727 1.00 1.11 C ATOM 1716 CG GLU A 103 4.907 -8.152 -17.155 1.00 20.15 C ATOM 1717 CD GLU A 103 6.101 -8.162 -18.081 1.00 24.24 C ATOM 1718 OE1 GLU A 103 6.462 -7.091 -18.600 1.00 11.10 O ATOM 1719 OE2 GLU A 103 6.687 -9.246 -18.290 1.00 43.32 O ATOM 0 H GLU A 103 3.386 -6.264 -15.942 1.00 4.43 H new ATOM 0 HA GLU A 103 3.689 -8.829 -14.718 1.00 4.44 H new ATOM 0 HB2 GLU A 103 5.764 -6.837 -15.706 1.00 1.11 H new ATOM 0 HB3 GLU A 103 6.039 -8.538 -15.385 1.00 1.11 H new ATOM 0 HG2 GLU A 103 4.421 -9.127 -17.181 1.00 20.15 H new ATOM 0 HG3 GLU A 103 4.179 -7.423 -17.512 1.00 20.15 H new ATOM 1726 N ALA A 104 4.375 -6.191 -12.989 1.00 3.13 N ATOM 1727 CA ALA A 104 4.758 -5.706 -11.675 1.00 42.30 C ATOM 1728 C ALA A 104 3.671 -6.011 -10.655 1.00 2.10 C ATOM 1729 O ALA A 104 3.953 -6.204 -9.474 1.00 64.01 O ATOM 1730 CB ALA A 104 5.042 -4.214 -11.720 1.00 14.13 C ATOM 0 H ALA A 104 3.931 -5.491 -13.584 1.00 3.13 H new ATOM 0 HA ALA A 104 5.669 -6.221 -11.371 1.00 42.30 H new ATOM 0 HB1 ALA A 104 5.327 -3.868 -10.727 1.00 14.13 H new ATOM 0 HB2 ALA A 104 5.855 -4.019 -12.420 1.00 14.13 H new ATOM 0 HB3 ALA A 104 4.148 -3.683 -12.046 1.00 14.13 H new ATOM 1736 N LEU A 105 2.430 -6.069 -11.128 1.00 1.32 N ATOM 1737 CA LEU A 105 1.287 -6.336 -10.263 1.00 70.41 C ATOM 1738 C LEU A 105 1.472 -7.674 -9.552 1.00 62.24 C ATOM 1739 O LEU A 105 1.278 -7.774 -8.339 1.00 34.51 O ATOM 1740 CB LEU A 105 -0.012 -6.326 -11.090 1.00 30.13 C ATOM 1741 CG LEU A 105 -1.316 -6.080 -10.311 1.00 31.41 C ATOM 1742 CD1 LEU A 105 -2.458 -5.802 -11.274 1.00 42.12 C ATOM 1743 CD2 LEU A 105 -1.671 -7.264 -9.425 1.00 60.50 C ATOM 0 H LEU A 105 2.190 -5.934 -12.110 1.00 1.32 H new ATOM 0 HA LEU A 105 1.217 -5.554 -9.507 1.00 70.41 H new ATOM 0 HB2 LEU A 105 0.078 -5.558 -11.858 1.00 30.13 H new ATOM 0 HB3 LEU A 105 -0.097 -7.283 -11.605 1.00 30.13 H new ATOM 0 HG LEU A 105 -1.158 -5.212 -9.671 1.00 31.41 H new ATOM 0 HD11 LEU A 105 -3.375 -5.630 -10.711 1.00 42.12 H new ATOM 0 HD12 LEU A 105 -2.226 -4.918 -11.868 1.00 42.12 H new ATOM 0 HD13 LEU A 105 -2.594 -6.658 -11.935 1.00 42.12 H new ATOM 0 HD21 LEU A 105 -2.597 -7.054 -8.891 1.00 60.50 H new ATOM 0 HD22 LEU A 105 -1.801 -8.153 -10.041 1.00 60.50 H new ATOM 0 HD23 LEU A 105 -0.869 -7.435 -8.707 1.00 60.50 H new ATOM 1755 N GLU A 106 1.880 -8.693 -10.304 1.00 65.35 N ATOM 1756 CA GLU A 106 2.073 -10.020 -9.732 1.00 1.12 C ATOM 1757 C GLU A 106 3.156 -9.991 -8.657 1.00 21.32 C ATOM 1758 O GLU A 106 3.034 -10.649 -7.630 1.00 41.41 O ATOM 1759 CB GLU A 106 2.444 -11.048 -10.806 1.00 31.50 C ATOM 1760 CG GLU A 106 3.795 -10.796 -11.459 1.00 20.21 C ATOM 1761 CD GLU A 106 4.470 -12.071 -11.915 1.00 31.33 C ATOM 1762 OE1 GLU A 106 4.848 -12.886 -11.047 1.00 44.24 O ATOM 1763 OE2 GLU A 106 4.627 -12.268 -13.139 1.00 14.21 O ATOM 0 H GLU A 106 2.081 -8.626 -11.302 1.00 65.35 H new ATOM 0 HA GLU A 106 1.126 -10.319 -9.282 1.00 1.12 H new ATOM 0 HB2 GLU A 106 2.447 -12.042 -10.358 1.00 31.50 H new ATOM 0 HB3 GLU A 106 1.673 -11.048 -11.577 1.00 31.50 H new ATOM 0 HG2 GLU A 106 3.663 -10.134 -12.315 1.00 20.21 H new ATOM 0 HG3 GLU A 106 4.444 -10.278 -10.753 1.00 20.21 H new ATOM 1770 N LYS A 107 4.203 -9.210 -8.899 1.00 2.45 N ATOM 1771 CA LYS A 107 5.323 -9.115 -7.973 1.00 73.21 C ATOM 1772 C LYS A 107 4.868 -8.517 -6.652 1.00 34.42 C ATOM 1773 O LYS A 107 5.216 -9.015 -5.581 1.00 73.01 O ATOM 1774 CB LYS A 107 6.440 -8.262 -8.576 1.00 22.01 C ATOM 1775 CG LYS A 107 7.003 -8.818 -9.875 1.00 23.43 C ATOM 1776 CD LYS A 107 7.723 -10.143 -9.659 1.00 42.20 C ATOM 1777 CE LYS A 107 8.924 -9.989 -8.738 1.00 31.52 C ATOM 1778 NZ LYS A 107 9.854 -8.930 -9.209 1.00 30.15 N ATOM 0 H LYS A 107 4.298 -8.631 -9.733 1.00 2.45 H new ATOM 0 HA LYS A 107 5.706 -10.119 -7.791 1.00 73.21 H new ATOM 0 HB2 LYS A 107 6.060 -7.257 -8.757 1.00 22.01 H new ATOM 0 HB3 LYS A 107 7.248 -8.172 -7.850 1.00 22.01 H new ATOM 0 HG2 LYS A 107 6.194 -8.957 -10.592 1.00 23.43 H new ATOM 0 HG3 LYS A 107 7.694 -8.096 -10.310 1.00 23.43 H new ATOM 0 HD2 LYS A 107 7.030 -10.869 -9.234 1.00 42.20 H new ATOM 0 HD3 LYS A 107 8.050 -10.540 -10.620 1.00 42.20 H new ATOM 0 HE2 LYS A 107 8.581 -9.749 -7.732 1.00 31.52 H new ATOM 0 HE3 LYS A 107 9.457 -10.938 -8.675 1.00 31.52 H new ATOM 0 HZ1 LYS A 107 10.834 -9.215 -9.010 1.00 30.15 H new ATOM 0 HZ2 LYS A 107 9.734 -8.793 -10.233 1.00 30.15 H new ATOM 0 HZ3 LYS A 107 9.645 -8.039 -8.714 1.00 30.15 H new ATOM 1792 N LEU A 108 4.074 -7.456 -6.740 1.00 31.32 N ATOM 1793 CA LEU A 108 3.537 -6.806 -5.552 1.00 72.43 C ATOM 1794 C LEU A 108 2.599 -7.746 -4.806 1.00 41.21 C ATOM 1795 O LEU A 108 2.611 -7.795 -3.576 1.00 24.33 O ATOM 1796 CB LEU A 108 2.798 -5.514 -5.920 1.00 32.24 C ATOM 1797 CG LEU A 108 3.664 -4.248 -5.995 1.00 23.14 C ATOM 1798 CD1 LEU A 108 4.754 -4.386 -7.048 1.00 42.53 C ATOM 1799 CD2 LEU A 108 2.794 -3.036 -6.287 1.00 74.43 C ATOM 0 H LEU A 108 3.789 -7.029 -7.621 1.00 31.32 H new ATOM 0 HA LEU A 108 4.375 -6.553 -4.902 1.00 72.43 H new ATOM 0 HB2 LEU A 108 2.313 -5.657 -6.885 1.00 32.24 H new ATOM 0 HB3 LEU A 108 2.008 -5.348 -5.188 1.00 32.24 H new ATOM 0 HG LEU A 108 4.150 -4.112 -5.029 1.00 23.14 H new ATOM 0 HD11 LEU A 108 5.350 -3.474 -7.077 1.00 42.53 H new ATOM 0 HD12 LEU A 108 5.396 -5.231 -6.799 1.00 42.53 H new ATOM 0 HD13 LEU A 108 4.298 -4.552 -8.024 1.00 42.53 H new ATOM 0 HD21 LEU A 108 3.418 -2.144 -6.338 1.00 74.43 H new ATOM 0 HD22 LEU A 108 2.283 -3.176 -7.239 1.00 74.43 H new ATOM 0 HD23 LEU A 108 2.056 -2.918 -5.493 1.00 74.43 H new ATOM 1811 N TRP A 109 1.793 -8.494 -5.550 1.00 62.15 N ATOM 1812 CA TRP A 109 0.860 -9.433 -4.943 1.00 34.54 C ATOM 1813 C TRP A 109 1.598 -10.584 -4.264 1.00 11.31 C ATOM 1814 O TRP A 109 1.314 -10.912 -3.114 1.00 22.13 O ATOM 1815 CB TRP A 109 -0.126 -9.983 -5.975 1.00 2.20 C ATOM 1816 CG TRP A 109 -1.088 -10.962 -5.378 1.00 5.22 C ATOM 1817 CD1 TRP A 109 -1.166 -12.300 -5.634 1.00 43.23 C ATOM 1818 CD2 TRP A 109 -2.087 -10.683 -4.391 1.00 24.52 C ATOM 1819 NE1 TRP A 109 -2.161 -12.867 -4.876 1.00 3.32 N ATOM 1820 CE2 TRP A 109 -2.742 -11.893 -4.108 1.00 2.25 C ATOM 1821 CE3 TRP A 109 -2.496 -9.523 -3.728 1.00 23.10 C ATOM 1822 CZ2 TRP A 109 -3.777 -11.978 -3.182 1.00 32.12 C ATOM 1823 CZ3 TRP A 109 -3.524 -9.608 -2.811 1.00 55.41 C ATOM 1824 CH2 TRP A 109 -4.158 -10.828 -2.548 1.00 72.41 C ATOM 0 H TRP A 109 1.767 -8.469 -6.569 1.00 62.15 H new ATOM 0 HA TRP A 109 0.299 -8.885 -4.186 1.00 34.54 H new ATOM 0 HB2 TRP A 109 -0.681 -9.157 -6.420 1.00 2.20 H new ATOM 0 HB3 TRP A 109 0.427 -10.466 -6.781 1.00 2.20 H new ATOM 0 HD1 TRP A 109 -0.537 -12.835 -6.331 1.00 43.23 H new ATOM 0 HE1 TRP A 109 -2.424 -13.852 -4.884 1.00 3.32 H new ATOM 0 HE3 TRP A 109 -2.016 -8.577 -3.930 1.00 23.10 H new ATOM 0 HZ2 TRP A 109 -4.262 -12.919 -2.971 1.00 32.12 H new ATOM 0 HZ3 TRP A 109 -3.844 -8.719 -2.288 1.00 55.41 H new ATOM 0 HH2 TRP A 109 -4.964 -10.862 -1.830 1.00 72.41 H new ATOM 1835 N ARG A 110 2.544 -11.187 -4.977 1.00 13.12 N ATOM 1836 CA ARG A 110 3.331 -12.295 -4.441 1.00 71.23 C ATOM 1837 C ARG A 110 4.046 -11.869 -3.163 1.00 11.23 C ATOM 1838 O ARG A 110 4.049 -12.593 -2.167 1.00 54.44 O ATOM 1839 CB ARG A 110 4.340 -12.780 -5.489 1.00 63.24 C ATOM 1840 CG ARG A 110 3.691 -13.429 -6.705 1.00 2.04 C ATOM 1841 CD ARG A 110 4.655 -13.527 -7.881 1.00 73.15 C ATOM 1842 NE ARG A 110 5.814 -14.365 -7.584 1.00 60.21 N ATOM 1843 CZ ARG A 110 6.836 -14.556 -8.422 1.00 51.25 C ATOM 1844 NH1 ARG A 110 6.826 -14.017 -9.638 1.00 51.20 N ATOM 1845 NH2 ARG A 110 7.861 -15.309 -8.045 1.00 21.53 N ATOM 0 H ARG A 110 2.786 -10.926 -5.933 1.00 13.12 H new ATOM 0 HA ARG A 110 2.660 -13.119 -4.199 1.00 71.23 H new ATOM 0 HB2 ARG A 110 4.944 -11.935 -5.818 1.00 63.24 H new ATOM 0 HB3 ARG A 110 5.018 -13.495 -5.024 1.00 63.24 H new ATOM 0 HG2 ARG A 110 3.340 -14.426 -6.440 1.00 2.04 H new ATOM 0 HG3 ARG A 110 2.816 -12.851 -7.001 1.00 2.04 H new ATOM 0 HD2 ARG A 110 4.129 -13.933 -8.745 1.00 73.15 H new ATOM 0 HD3 ARG A 110 4.993 -12.527 -8.154 1.00 73.15 H new ATOM 0 HE ARG A 110 5.845 -14.834 -6.679 1.00 60.21 H new ATOM 0 HH11 ARG A 110 6.032 -13.451 -9.939 1.00 51.20 H new ATOM 0 HH12 ARG A 110 7.612 -14.169 -10.270 1.00 51.20 H new ATOM 0 HH21 ARG A 110 7.865 -15.738 -7.120 1.00 21.53 H new ATOM 0 HH22 ARG A 110 8.645 -15.459 -8.680 1.00 21.53 H new ATOM 1859 N ARG A 111 4.623 -10.672 -3.196 1.00 61.32 N ATOM 1860 CA ARG A 111 5.298 -10.101 -2.036 1.00 62.40 C ATOM 1861 C ARG A 111 4.302 -9.899 -0.894 1.00 43.32 C ATOM 1862 O ARG A 111 4.578 -10.226 0.259 1.00 63.41 O ATOM 1863 CB ARG A 111 5.921 -8.755 -2.422 1.00 74.34 C ATOM 1864 CG ARG A 111 6.932 -8.212 -1.423 1.00 73.11 C ATOM 1865 CD ARG A 111 8.166 -9.092 -1.364 1.00 31.45 C ATOM 1866 NE ARG A 111 9.321 -8.390 -0.810 1.00 62.25 N ATOM 1867 CZ ARG A 111 10.554 -8.504 -1.302 1.00 32.42 C ATOM 1868 NH1 ARG A 111 10.783 -9.283 -2.352 1.00 42.01 N ATOM 1869 NH2 ARG A 111 11.561 -7.844 -0.751 1.00 0.51 N ATOM 0 H ARG A 111 4.636 -10.074 -4.022 1.00 61.32 H new ATOM 0 HA ARG A 111 6.080 -10.784 -1.705 1.00 62.40 H new ATOM 0 HB2 ARG A 111 6.409 -8.861 -3.391 1.00 74.34 H new ATOM 0 HB3 ARG A 111 5.123 -8.023 -2.545 1.00 74.34 H new ATOM 0 HG2 ARG A 111 7.217 -7.198 -1.704 1.00 73.11 H new ATOM 0 HG3 ARG A 111 6.476 -8.153 -0.435 1.00 73.11 H new ATOM 0 HD2 ARG A 111 7.953 -9.972 -0.757 1.00 31.45 H new ATOM 0 HD3 ARG A 111 8.405 -9.446 -2.367 1.00 31.45 H new ATOM 0 HE ARG A 111 9.176 -7.781 -0.005 1.00 62.25 H new ATOM 0 HH11 ARG A 111 10.014 -9.796 -2.784 1.00 42.01 H new ATOM 0 HH12 ARG A 111 11.728 -9.369 -2.727 1.00 42.01 H new ATOM 0 HH21 ARG A 111 11.396 -7.243 0.056 1.00 0.51 H new ATOM 0 HH22 ARG A 111 12.502 -7.937 -1.134 1.00 0.51 H new ATOM 1883 N HIS A 112 3.135 -9.369 -1.241 1.00 22.23 N ATOM 1884 CA HIS A 112 2.101 -9.043 -0.266 1.00 72.23 C ATOM 1885 C HIS A 112 1.492 -10.302 0.354 1.00 73.54 C ATOM 1886 O HIS A 112 1.206 -10.330 1.547 1.00 53.43 O ATOM 1887 CB HIS A 112 1.009 -8.200 -0.934 1.00 43.42 C ATOM 1888 CG HIS A 112 -0.124 -7.826 -0.028 1.00 12.42 C ATOM 1889 ND1 HIS A 112 -1.405 -8.310 -0.188 1.00 14.52 N ATOM 1890 CD2 HIS A 112 -0.168 -6.993 1.038 1.00 33.53 C ATOM 1891 CE1 HIS A 112 -2.186 -7.793 0.739 1.00 12.33 C ATOM 1892 NE2 HIS A 112 -1.460 -6.993 1.497 1.00 42.24 N ATOM 0 H HIS A 112 2.879 -9.153 -2.205 1.00 22.23 H new ATOM 0 HA HIS A 112 2.563 -8.471 0.539 1.00 72.23 H new ATOM 0 HB2 HIS A 112 1.460 -7.289 -1.327 1.00 43.42 H new ATOM 0 HB3 HIS A 112 0.611 -8.752 -1.785 1.00 43.42 H new ATOM 0 HD2 HIS A 112 0.659 -6.434 1.450 1.00 33.53 H new ATOM 0 HE1 HIS A 112 -3.241 -7.990 0.858 1.00 12.33 H new ATOM 0 HE2 HIS A 112 -1.805 -6.460 2.296 1.00 42.24 H new ATOM 1901 N CYS A 113 1.284 -11.326 -0.463 1.00 64.52 N ATOM 1902 CA CYS A 113 0.668 -12.566 -0.001 1.00 3.13 C ATOM 1903 C CYS A 113 1.566 -13.275 1.008 1.00 43.11 C ATOM 1904 O CYS A 113 1.113 -13.681 2.077 1.00 43.01 O ATOM 1905 CB CYS A 113 0.371 -13.485 -1.190 1.00 65.05 C ATOM 1906 SG CYS A 113 -0.408 -15.056 -0.745 1.00 53.33 S ATOM 0 H CYS A 113 1.533 -11.324 -1.452 1.00 64.52 H new ATOM 0 HA CYS A 113 -0.271 -12.319 0.495 1.00 3.13 H new ATOM 0 HB2 CYS A 113 -0.278 -12.957 -1.888 1.00 65.05 H new ATOM 0 HB3 CYS A 113 1.303 -13.692 -1.715 1.00 65.05 H new ATOM 0 HG CYS A 113 -0.618 -15.756 -1.820 1.00 53.33 H new ATOM 1912 N ARG A 114 2.849 -13.396 0.672 1.00 32.35 N ATOM 1913 CA ARG A 114 3.813 -14.047 1.555 1.00 21.43 C ATOM 1914 C ARG A 114 3.921 -13.300 2.880 1.00 30.04 C ATOM 1915 O ARG A 114 4.011 -13.911 3.944 1.00 13.44 O ATOM 1916 CB ARG A 114 5.185 -14.132 0.882 1.00 13.04 C ATOM 1917 CG ARG A 114 5.203 -15.035 -0.340 1.00 24.14 C ATOM 1918 CD ARG A 114 4.947 -16.487 0.038 1.00 62.11 C ATOM 1919 NE ARG A 114 6.050 -17.053 0.816 1.00 54.04 N ATOM 1920 CZ ARG A 114 5.991 -18.213 1.471 1.00 11.13 C ATOM 1921 NH1 ARG A 114 4.864 -18.914 1.513 1.00 24.42 N ATOM 1922 NH2 ARG A 114 7.066 -18.667 2.102 1.00 44.31 N ATOM 0 H ARG A 114 3.244 -13.052 -0.203 1.00 32.35 H new ATOM 0 HA ARG A 114 3.460 -15.058 1.757 1.00 21.43 H new ATOM 0 HB2 ARG A 114 5.500 -13.131 0.589 1.00 13.04 H new ATOM 0 HB3 ARG A 114 5.914 -14.497 1.605 1.00 13.04 H new ATOM 0 HG2 ARG A 114 4.446 -14.703 -1.050 1.00 24.14 H new ATOM 0 HG3 ARG A 114 6.168 -14.953 -0.841 1.00 24.14 H new ATOM 0 HD2 ARG A 114 4.024 -16.554 0.615 1.00 62.11 H new ATOM 0 HD3 ARG A 114 4.801 -17.077 -0.867 1.00 62.11 H new ATOM 0 HE ARG A 114 6.922 -16.525 0.860 1.00 54.04 H new ATOM 0 HH11 ARG A 114 4.029 -18.567 1.041 1.00 24.42 H new ATOM 0 HH12 ARG A 114 4.833 -19.800 2.018 1.00 24.42 H new ATOM 0 HH21 ARG A 114 7.933 -18.129 2.085 1.00 44.31 H new ATOM 0 HH22 ARG A 114 7.026 -19.554 2.604 1.00 44.31 H new ATOM 1936 N LEU A 115 3.890 -11.976 2.801 1.00 35.53 N ATOM 1937 CA LEU A 115 3.965 -11.130 3.985 1.00 24.01 C ATOM 1938 C LEU A 115 2.711 -11.289 4.844 1.00 21.15 C ATOM 1939 O LEU A 115 2.781 -11.280 6.074 1.00 3.33 O ATOM 1940 CB LEU A 115 4.142 -9.665 3.572 1.00 2.02 C ATOM 1941 CG LEU A 115 4.354 -8.676 4.723 1.00 15.33 C ATOM 1942 CD1 LEU A 115 5.659 -8.971 5.451 1.00 32.12 C ATOM 1943 CD2 LEU A 115 4.337 -7.245 4.201 1.00 42.30 C ATOM 0 H LEU A 115 3.813 -11.462 1.923 1.00 35.53 H new ATOM 0 HA LEU A 115 4.826 -11.439 4.577 1.00 24.01 H new ATOM 0 HB2 LEU A 115 4.994 -9.597 2.896 1.00 2.02 H new ATOM 0 HB3 LEU A 115 3.262 -9.356 3.008 1.00 2.02 H new ATOM 0 HG LEU A 115 3.537 -8.792 5.435 1.00 15.33 H new ATOM 0 HD11 LEU A 115 5.791 -8.258 6.265 1.00 32.12 H new ATOM 0 HD12 LEU A 115 5.629 -9.982 5.856 1.00 32.12 H new ATOM 0 HD13 LEU A 115 6.492 -8.884 4.754 1.00 32.12 H new ATOM 0 HD21 LEU A 115 4.489 -6.554 5.030 1.00 42.30 H new ATOM 0 HD22 LEU A 115 5.134 -7.115 3.469 1.00 42.30 H new ATOM 0 HD23 LEU A 115 3.376 -7.041 3.730 1.00 42.30 H new ATOM 1955 N ALA A 116 1.564 -11.459 4.189 1.00 72.04 N ATOM 1956 CA ALA A 116 0.289 -11.607 4.886 1.00 44.02 C ATOM 1957 C ALA A 116 0.196 -12.953 5.598 1.00 25.34 C ATOM 1958 O ALA A 116 -0.671 -13.160 6.447 1.00 25.53 O ATOM 1959 CB ALA A 116 -0.867 -11.444 3.912 1.00 40.33 C ATOM 0 H ALA A 116 1.492 -11.498 3.172 1.00 72.04 H new ATOM 0 HA ALA A 116 0.229 -10.824 5.642 1.00 44.02 H new ATOM 0 HB1 ALA A 116 -1.811 -11.557 4.445 1.00 40.33 H new ATOM 0 HB2 ALA A 116 -0.823 -10.454 3.458 1.00 40.33 H new ATOM 0 HB3 ALA A 116 -0.797 -12.204 3.134 1.00 40.33 H new ATOM 1965 N ARG A 117 1.088 -13.868 5.239 1.00 21.11 N ATOM 1966 CA ARG A 117 1.158 -15.169 5.890 1.00 71.23 C ATOM 1967 C ARG A 117 2.086 -15.115 7.099 1.00 4.31 C ATOM 1968 O ARG A 117 2.306 -16.124 7.773 1.00 5.43 O ATOM 1969 CB ARG A 117 1.644 -16.244 4.911 1.00 22.12 C ATOM 1970 CG ARG A 117 0.662 -16.555 3.794 1.00 31.32 C ATOM 1971 CD ARG A 117 -0.658 -17.076 4.341 1.00 61.03 C ATOM 1972 NE ARG A 117 -0.487 -18.284 5.155 1.00 42.33 N ATOM 1973 CZ ARG A 117 -1.496 -19.040 5.589 1.00 42.42 C ATOM 1974 NH1 ARG A 117 -2.745 -18.754 5.237 1.00 72.40 N ATOM 1975 NH2 ARG A 117 -1.260 -20.089 6.365 1.00 25.25 N ATOM 0 H ARG A 117 1.775 -13.732 4.498 1.00 21.11 H new ATOM 0 HA ARG A 117 0.154 -15.429 6.225 1.00 71.23 H new ATOM 0 HB2 ARG A 117 2.587 -15.920 4.471 1.00 22.12 H new ATOM 0 HB3 ARG A 117 1.849 -17.160 5.466 1.00 22.12 H new ATOM 0 HG2 ARG A 117 0.483 -15.656 3.205 1.00 31.32 H new ATOM 0 HG3 ARG A 117 1.096 -17.295 3.122 1.00 31.32 H new ATOM 0 HD2 ARG A 117 -1.131 -16.300 4.942 1.00 61.03 H new ATOM 0 HD3 ARG A 117 -1.332 -17.292 3.512 1.00 61.03 H new ATOM 0 HE ARG A 117 0.462 -18.563 5.404 1.00 42.33 H new ATOM 0 HH11 ARG A 117 -2.934 -17.954 4.633 1.00 72.40 H new ATOM 0 HH12 ARG A 117 -3.515 -19.334 5.571 1.00 72.40 H new ATOM 0 HH21 ARG A 117 -0.303 -20.321 6.632 1.00 25.25 H new ATOM 0 HH22 ARG A 117 -2.035 -20.664 6.695 1.00 25.25 H new