USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=16 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 63 ASN : amide:sc= -0.0374 K(o=-0.044,f=-2.2!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -168:sc=-0.00627 (180deg=-0.202) USER MOD Set 2.1: A 17 GLN : amide:sc= -2.56! C(o=-2.3!,f=-7.3!) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.28 K(o=-2.3,f=-2.8) USER MOD Set 3.1: A 30 THR OG1 : rot 134:sc= 0.517 USER MOD Set 3.2: A 32 GLN : amide:sc= -0.248 K(o=0.27,f=-5.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.471 K(o=-0.47,f=-3.4!) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.2) USER MOD Single : A 34 THR OG1 : rot 170:sc= 0.94 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0575 (180deg=-0.336) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.0287 (180deg=-0.258) USER MOD Single : A 55 ASN : amide:sc= 0.655 K(o=0.66,f=-4!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 69 THR OG1 : rot -83:sc= -0.273 USER MOD Single : A 72 SER OG : rot -88:sc= 1.08 USER MOD Single : A 77 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.6!) USER MOD Single : A 78 HIS : no HE2:sc= 1.01 K(o=1,f=-6.1!) USER MOD Single : A 83 MET CE :methyl -119:sc= -0.78 (180deg=-3.36!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -0.49 X(o=-0.49,f=-0.36) USER MOD Single : A 113 CYS SG : rot 67:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -4.274 8.369 10.730 1.00 73.41 N ATOM 281 CA GLN A 17 -3.806 7.215 9.970 1.00 20.24 C ATOM 282 C GLN A 17 -2.379 7.424 9.470 1.00 51.44 C ATOM 283 O GLN A 17 -1.603 6.475 9.379 1.00 3.20 O ATOM 284 CB GLN A 17 -4.746 6.914 8.800 1.00 74.12 C ATOM 285 CG GLN A 17 -6.139 6.461 9.225 1.00 13.12 C ATOM 286 CD GLN A 17 -6.130 5.169 10.030 1.00 20.15 C ATOM 287 OE1 GLN A 17 -5.185 4.875 10.759 1.00 11.44 O ATOM 288 NE2 GLN A 17 -7.189 4.389 9.904 1.00 52.33 N ATOM 0 HA GLN A 17 -3.806 6.356 10.641 1.00 20.24 H new ATOM 0 HB2 GLN A 17 -4.838 7.807 8.182 1.00 74.12 H new ATOM 0 HB3 GLN A 17 -4.298 6.140 8.177 1.00 74.12 H new ATOM 0 HG2 GLN A 17 -6.605 7.248 9.818 1.00 13.12 H new ATOM 0 HG3 GLN A 17 -6.756 6.324 8.337 1.00 13.12 H new ATOM 0 HE21 GLN A 17 -7.955 4.665 9.290 1.00 52.33 H new ATOM 0 HE22 GLN A 17 -7.240 3.511 10.421 1.00 52.33 H new ATOM 297 N PHE A 18 -2.030 8.673 9.184 1.00 2.55 N ATOM 298 CA PHE A 18 -0.686 9.007 8.719 1.00 13.11 C ATOM 299 C PHE A 18 0.336 8.749 9.820 1.00 74.31 C ATOM 300 O PHE A 18 1.500 8.452 9.553 1.00 0.14 O ATOM 301 CB PHE A 18 -0.624 10.473 8.278 1.00 11.24 C ATOM 302 CG PHE A 18 -1.538 10.795 7.130 1.00 21.44 C ATOM 303 CD1 PHE A 18 -2.839 11.212 7.359 1.00 63.21 C ATOM 304 CD2 PHE A 18 -1.095 10.684 5.821 1.00 2.04 C ATOM 305 CE1 PHE A 18 -3.682 11.510 6.305 1.00 62.11 C ATOM 306 CE2 PHE A 18 -1.934 10.980 4.764 1.00 33.30 C ATOM 307 CZ PHE A 18 -3.229 11.395 5.006 1.00 53.50 C ATOM 0 H PHE A 18 -2.658 9.472 9.265 1.00 2.55 H new ATOM 0 HA PHE A 18 -0.449 8.373 7.865 1.00 13.11 H new ATOM 0 HB2 PHE A 18 -0.880 11.110 9.125 1.00 11.24 H new ATOM 0 HB3 PHE A 18 0.400 10.716 7.995 1.00 11.24 H new ATOM 0 HD1 PHE A 18 -3.199 11.305 8.373 1.00 63.21 H new ATOM 0 HD2 PHE A 18 -0.083 10.363 5.625 1.00 2.04 H new ATOM 0 HE1 PHE A 18 -4.695 11.833 6.498 1.00 62.11 H new ATOM 0 HE2 PHE A 18 -1.577 10.887 3.749 1.00 33.30 H new ATOM 0 HZ PHE A 18 -3.886 11.629 4.181 1.00 53.50 H new ATOM 317 N THR A 19 -0.119 8.860 11.059 1.00 5.44 N ATOM 318 CA THR A 19 0.730 8.633 12.213 1.00 11.00 C ATOM 319 C THR A 19 0.609 7.182 12.687 1.00 45.20 C ATOM 320 O THR A 19 1.552 6.602 13.222 1.00 64.33 O ATOM 321 CB THR A 19 0.333 9.587 13.357 1.00 23.31 C ATOM 322 OG1 THR A 19 -0.090 10.845 12.809 1.00 54.04 O ATOM 323 CG2 THR A 19 1.501 9.821 14.301 1.00 35.51 C ATOM 0 H THR A 19 -1.081 9.108 11.289 1.00 5.44 H new ATOM 0 HA THR A 19 1.764 8.826 11.926 1.00 11.00 H new ATOM 0 HB THR A 19 -0.482 9.129 13.917 1.00 23.31 H new ATOM 0 HG1 THR A 19 -0.344 11.450 13.537 1.00 54.04 H new ATOM 0 HG21 THR A 19 1.194 10.497 15.099 1.00 35.51 H new ATOM 0 HG22 THR A 19 1.816 8.871 14.732 1.00 35.51 H new ATOM 0 HG23 THR A 19 2.331 10.263 13.750 1.00 35.51 H new ATOM 331 N PHE A 20 -0.562 6.600 12.465 1.00 53.02 N ATOM 332 CA PHE A 20 -0.855 5.235 12.885 1.00 51.41 C ATOM 333 C PHE A 20 -0.066 4.231 12.049 1.00 3.00 C ATOM 334 O PHE A 20 0.381 3.196 12.555 1.00 75.12 O ATOM 335 CB PHE A 20 -2.359 4.974 12.756 1.00 21.11 C ATOM 336 CG PHE A 20 -2.834 3.700 13.399 1.00 23.44 C ATOM 337 CD1 PHE A 20 -2.789 3.550 14.775 1.00 13.25 C ATOM 338 CD2 PHE A 20 -3.340 2.664 12.632 1.00 24.10 C ATOM 339 CE1 PHE A 20 -3.237 2.388 15.375 1.00 12.15 C ATOM 340 CE2 PHE A 20 -3.793 1.500 13.226 1.00 20.54 C ATOM 341 CZ PHE A 20 -3.739 1.362 14.599 1.00 71.14 C ATOM 0 H PHE A 20 -1.337 7.061 11.988 1.00 53.02 H new ATOM 0 HA PHE A 20 -0.556 5.113 13.926 1.00 51.41 H new ATOM 0 HB2 PHE A 20 -2.898 5.811 13.199 1.00 21.11 H new ATOM 0 HB3 PHE A 20 -2.620 4.950 11.698 1.00 21.11 H new ATOM 0 HD1 PHE A 20 -2.399 4.350 15.387 1.00 13.25 H new ATOM 0 HD2 PHE A 20 -3.381 2.766 11.558 1.00 24.10 H new ATOM 0 HE1 PHE A 20 -3.194 2.283 16.449 1.00 12.15 H new ATOM 0 HE2 PHE A 20 -4.188 0.700 12.617 1.00 20.54 H new ATOM 0 HZ PHE A 20 -4.089 0.453 15.065 1.00 71.14 H new ATOM 351 N VAL A 21 0.111 4.543 10.770 1.00 33.42 N ATOM 352 CA VAL A 21 0.876 3.684 9.877 1.00 43.12 C ATOM 353 C VAL A 21 2.376 3.848 10.126 1.00 13.21 C ATOM 354 O VAL A 21 3.161 2.942 9.860 1.00 34.32 O ATOM 355 CB VAL A 21 0.543 3.956 8.385 1.00 43.11 C ATOM 356 CG1 VAL A 21 1.018 5.333 7.948 1.00 14.22 C ATOM 357 CG2 VAL A 21 1.136 2.880 7.490 1.00 22.45 C ATOM 0 H VAL A 21 -0.265 5.383 10.330 1.00 33.42 H new ATOM 0 HA VAL A 21 0.592 2.655 10.095 1.00 43.12 H new ATOM 0 HB VAL A 21 -0.542 3.929 8.285 1.00 43.11 H new ATOM 0 HG11 VAL A 21 0.768 5.488 6.899 1.00 14.22 H new ATOM 0 HG12 VAL A 21 0.529 6.096 8.554 1.00 14.22 H new ATOM 0 HG13 VAL A 21 2.098 5.403 8.078 1.00 14.22 H new ATOM 0 HG21 VAL A 21 0.888 3.094 6.450 1.00 22.45 H new ATOM 0 HG22 VAL A 21 2.219 2.864 7.609 1.00 22.45 H new ATOM 0 HG23 VAL A 21 0.726 1.909 7.768 1.00 22.45 H new ATOM 367 N PHE A 22 2.757 4.992 10.688 1.00 31.02 N ATOM 368 CA PHE A 22 4.159 5.287 10.975 1.00 24.03 C ATOM 369 C PHE A 22 4.667 4.415 12.124 1.00 31.12 C ATOM 370 O PHE A 22 5.870 4.202 12.281 1.00 4.05 O ATOM 371 CB PHE A 22 4.310 6.775 11.319 1.00 61.13 C ATOM 372 CG PHE A 22 5.728 7.217 11.555 1.00 2.42 C ATOM 373 CD1 PHE A 22 6.594 7.409 10.491 1.00 1.33 C ATOM 374 CD2 PHE A 22 6.191 7.445 12.841 1.00 4.01 C ATOM 375 CE1 PHE A 22 7.896 7.818 10.706 1.00 41.51 C ATOM 376 CE2 PHE A 22 7.492 7.855 13.062 1.00 72.42 C ATOM 377 CZ PHE A 22 8.347 8.041 11.993 1.00 43.15 C ATOM 0 H PHE A 22 2.111 5.734 10.955 1.00 31.02 H new ATOM 0 HA PHE A 22 4.758 5.063 10.092 1.00 24.03 H new ATOM 0 HB2 PHE A 22 3.888 7.368 10.508 1.00 61.13 H new ATOM 0 HB3 PHE A 22 3.722 6.991 12.211 1.00 61.13 H new ATOM 0 HD1 PHE A 22 6.248 7.237 9.483 1.00 1.33 H new ATOM 0 HD2 PHE A 22 5.527 7.301 13.681 1.00 4.01 H new ATOM 0 HE1 PHE A 22 8.562 7.963 9.868 1.00 41.51 H new ATOM 0 HE2 PHE A 22 7.840 8.030 14.069 1.00 72.42 H new ATOM 0 HZ PHE A 22 9.365 8.360 12.163 1.00 43.15 H new ATOM 387 N GLN A 23 3.732 3.909 12.920 1.00 74.33 N ATOM 388 CA GLN A 23 4.057 3.070 14.067 1.00 73.45 C ATOM 389 C GLN A 23 4.720 1.763 13.641 1.00 62.02 C ATOM 390 O GLN A 23 5.867 1.491 13.999 1.00 64.34 O ATOM 391 CB GLN A 23 2.791 2.766 14.866 1.00 13.24 C ATOM 392 CG GLN A 23 2.197 3.981 15.557 1.00 54.35 C ATOM 393 CD GLN A 23 0.822 3.714 16.130 1.00 3.22 C ATOM 394 OE1 GLN A 23 0.488 2.583 16.474 1.00 72.30 O ATOM 395 NE2 GLN A 23 0.016 4.758 16.236 1.00 61.45 N ATOM 0 H GLN A 23 2.733 4.068 12.790 1.00 74.33 H new ATOM 0 HA GLN A 23 4.764 3.619 14.689 1.00 73.45 H new ATOM 0 HB2 GLN A 23 2.044 2.338 14.197 1.00 13.24 H new ATOM 0 HB3 GLN A 23 3.019 2.008 15.616 1.00 13.24 H new ATOM 0 HG2 GLN A 23 2.864 4.300 16.358 1.00 54.35 H new ATOM 0 HG3 GLN A 23 2.136 4.805 14.846 1.00 54.35 H new ATOM 0 HE21 GLN A 23 0.334 5.680 15.938 1.00 61.45 H new ATOM 0 HE22 GLN A 23 -0.923 4.641 16.616 1.00 61.45 H new ATOM 404 N GLN A 24 3.993 0.954 12.882 1.00 61.33 N ATOM 405 CA GLN A 24 4.495 -0.344 12.444 1.00 12.30 C ATOM 406 C GLN A 24 3.713 -0.825 11.226 1.00 24.24 C ATOM 407 O GLN A 24 2.668 -1.470 11.357 1.00 73.24 O ATOM 408 CB GLN A 24 4.407 -1.369 13.584 1.00 32.13 C ATOM 409 CG GLN A 24 4.974 -2.741 13.233 1.00 11.14 C ATOM 410 CD GLN A 24 5.057 -3.674 14.433 1.00 31.01 C ATOM 411 OE1 GLN A 24 4.158 -3.504 15.395 1.00 15.24 O flip ATOM 412 NE2 GLN A 24 5.925 -4.544 14.493 1.00 3.24 N flip ATOM 0 H GLN A 24 3.052 1.173 12.556 1.00 61.33 H new ATOM 0 HA GLN A 24 5.543 -0.237 12.164 1.00 12.30 H new ATOM 0 HB2 GLN A 24 4.940 -0.979 14.451 1.00 32.13 H new ATOM 0 HB3 GLN A 24 3.363 -1.483 13.876 1.00 32.13 H new ATOM 0 HG2 GLN A 24 4.351 -3.200 12.465 1.00 11.14 H new ATOM 0 HG3 GLN A 24 5.969 -2.618 12.805 1.00 11.14 H new ATOM 0 HE21 GLN A 24 6.599 -4.645 13.734 1.00 3.24 H new ATOM 0 HE22 GLN A 24 5.970 -5.164 15.301 1.00 3.24 H new ATOM 421 N PRO A 25 4.177 -0.458 10.027 1.00 5.20 N ATOM 422 CA PRO A 25 3.561 -0.859 8.776 1.00 10.04 C ATOM 423 C PRO A 25 4.243 -2.060 8.127 1.00 20.43 C ATOM 424 O PRO A 25 5.450 -2.259 8.266 1.00 44.24 O ATOM 425 CB PRO A 25 3.772 0.384 7.919 1.00 41.11 C ATOM 426 CG PRO A 25 5.084 0.948 8.381 1.00 14.43 C ATOM 427 CD PRO A 25 5.328 0.427 9.783 1.00 70.43 C ATOM 0 HA PRO A 25 2.525 -1.172 8.905 1.00 10.04 H new ATOM 0 HB2 PRO A 25 3.800 0.134 6.859 1.00 41.11 H new ATOM 0 HB3 PRO A 25 2.963 1.101 8.056 1.00 41.11 H new ATOM 0 HG2 PRO A 25 5.890 0.645 7.712 1.00 14.43 H new ATOM 0 HG3 PRO A 25 5.058 2.038 8.375 1.00 14.43 H new ATOM 0 HD2 PRO A 25 6.272 -0.114 9.851 1.00 70.43 H new ATOM 0 HD3 PRO A 25 5.372 1.238 10.510 1.00 70.43 H new ATOM 435 N GLN A 26 3.467 -2.857 7.416 1.00 55.30 N ATOM 436 CA GLN A 26 4.020 -3.926 6.608 1.00 4.33 C ATOM 437 C GLN A 26 4.349 -3.378 5.228 1.00 22.30 C ATOM 438 O GLN A 26 3.469 -3.236 4.373 1.00 12.10 O ATOM 439 CB GLN A 26 3.042 -5.100 6.509 1.00 1.13 C ATOM 440 CG GLN A 26 2.725 -5.735 7.854 1.00 53.33 C ATOM 441 CD GLN A 26 3.950 -6.333 8.523 1.00 2.13 C ATOM 442 OE1 GLN A 26 4.867 -6.816 7.859 1.00 33.21 O ATOM 443 NE2 GLN A 26 3.978 -6.297 9.847 1.00 12.21 N ATOM 0 H GLN A 26 2.450 -2.783 7.382 1.00 55.30 H new ATOM 0 HA GLN A 26 4.930 -4.301 7.077 1.00 4.33 H new ATOM 0 HB2 GLN A 26 2.115 -4.754 6.051 1.00 1.13 H new ATOM 0 HB3 GLN A 26 3.461 -5.858 5.847 1.00 1.13 H new ATOM 0 HG2 GLN A 26 2.287 -4.984 8.512 1.00 53.33 H new ATOM 0 HG3 GLN A 26 1.975 -6.514 7.716 1.00 53.33 H new ATOM 0 HE21 GLN A 26 3.199 -5.888 10.363 1.00 12.21 H new ATOM 0 HE22 GLN A 26 4.779 -6.678 10.351 1.00 12.21 H new ATOM 452 N ARG A 27 5.611 -3.026 5.036 1.00 42.02 N ATOM 453 CA ARG A 27 6.050 -2.382 3.809 1.00 70.44 C ATOM 454 C ARG A 27 6.305 -3.416 2.722 1.00 32.15 C ATOM 455 O ARG A 27 7.181 -4.269 2.852 1.00 40.52 O ATOM 456 CB ARG A 27 7.313 -1.544 4.074 1.00 22.25 C ATOM 457 CG ARG A 27 7.679 -0.574 2.955 1.00 34.13 C ATOM 458 CD ARG A 27 8.408 -1.257 1.804 1.00 65.41 C ATOM 459 NE ARG A 27 8.636 -0.344 0.681 1.00 54.43 N ATOM 460 CZ ARG A 27 9.626 -0.475 -0.204 1.00 3.12 C ATOM 461 NH1 ARG A 27 10.510 -1.458 -0.084 1.00 34.24 N ATOM 462 NH2 ARG A 27 9.738 0.386 -1.210 1.00 42.03 N ATOM 0 H ARG A 27 6.353 -3.177 5.719 1.00 42.02 H new ATOM 0 HA ARG A 27 5.260 -1.717 3.461 1.00 70.44 H new ATOM 0 HB2 ARG A 27 7.171 -0.979 4.995 1.00 22.25 H new ATOM 0 HB3 ARG A 27 8.152 -2.219 4.241 1.00 22.25 H new ATOM 0 HG2 ARG A 27 6.772 -0.102 2.577 1.00 34.13 H new ATOM 0 HG3 ARG A 27 8.307 0.220 3.358 1.00 34.13 H new ATOM 0 HD2 ARG A 27 9.364 -1.642 2.158 1.00 65.41 H new ATOM 0 HD3 ARG A 27 7.826 -2.113 1.463 1.00 65.41 H new ATOM 0 HE ARG A 27 7.997 0.443 0.568 1.00 54.43 H new ATOM 0 HH11 ARG A 27 10.435 -2.120 0.689 1.00 34.24 H new ATOM 0 HH12 ARG A 27 11.264 -1.552 -0.764 1.00 34.24 H new ATOM 0 HH21 ARG A 27 9.067 1.148 -1.306 1.00 42.03 H new ATOM 0 HH22 ARG A 27 10.495 0.285 -1.886 1.00 42.03 H new ATOM 476 N ALA A 28 5.528 -3.332 1.658 1.00 60.24 N ATOM 477 CA ALA A 28 5.716 -4.194 0.506 1.00 25.32 C ATOM 478 C ALA A 28 5.596 -3.379 -0.771 1.00 41.15 C ATOM 479 O ALA A 28 4.642 -2.617 -0.940 1.00 5.21 O ATOM 480 CB ALA A 28 4.702 -5.326 0.516 1.00 3.41 C ATOM 0 H ALA A 28 4.756 -2.671 1.568 1.00 60.24 H new ATOM 0 HA ALA A 28 6.713 -4.633 0.551 1.00 25.32 H new ATOM 0 HB1 ALA A 28 4.858 -5.962 -0.355 1.00 3.41 H new ATOM 0 HB2 ALA A 28 4.825 -5.917 1.424 1.00 3.41 H new ATOM 0 HB3 ALA A 28 3.694 -4.912 0.487 1.00 3.41 H new ATOM 486 N GLY A 29 6.572 -3.515 -1.652 1.00 74.21 N ATOM 487 CA GLY A 29 6.535 -2.793 -2.902 1.00 14.51 C ATOM 488 C GLY A 29 7.913 -2.592 -3.493 1.00 4.33 C ATOM 489 O GLY A 29 8.877 -3.242 -3.083 1.00 42.15 O ATOM 0 H GLY A 29 7.389 -4.112 -1.523 1.00 74.21 H new ATOM 0 HA2 GLY A 29 5.913 -3.336 -3.614 1.00 14.51 H new ATOM 0 HA3 GLY A 29 6.065 -1.822 -2.744 1.00 14.51 H new ATOM 493 N THR A 30 8.005 -1.679 -4.441 1.00 2.24 N ATOM 494 CA THR A 30 9.244 -1.418 -5.148 1.00 73.25 C ATOM 495 C THR A 30 9.623 0.059 -5.016 1.00 40.43 C ATOM 496 O THR A 30 8.878 0.839 -4.417 1.00 24.11 O ATOM 497 CB THR A 30 9.094 -1.791 -6.638 1.00 54.24 C ATOM 498 OG1 THR A 30 7.975 -1.095 -7.206 1.00 73.31 O ATOM 499 CG2 THR A 30 8.906 -3.290 -6.807 1.00 4.43 C ATOM 0 H THR A 30 7.223 -1.098 -4.743 1.00 2.24 H new ATOM 0 HA THR A 30 10.034 -2.027 -4.709 1.00 73.25 H new ATOM 0 HB THR A 30 10.007 -1.497 -7.157 1.00 54.24 H new ATOM 0 HG1 THR A 30 8.234 -0.707 -8.068 1.00 73.31 H new ATOM 0 HG21 THR A 30 8.803 -3.527 -7.866 1.00 4.43 H new ATOM 0 HG22 THR A 30 9.772 -3.813 -6.401 1.00 4.43 H new ATOM 0 HG23 THR A 30 8.009 -3.606 -6.275 1.00 4.43 H new ATOM 507 N PRO A 31 10.792 0.466 -5.549 1.00 40.51 N ATOM 508 CA PRO A 31 11.191 1.880 -5.590 1.00 2.45 C ATOM 509 C PRO A 31 10.243 2.729 -6.440 1.00 0.02 C ATOM 510 O PRO A 31 10.273 3.959 -6.379 1.00 52.33 O ATOM 511 CB PRO A 31 12.589 1.849 -6.224 1.00 32.02 C ATOM 512 CG PRO A 31 13.065 0.451 -6.039 1.00 24.13 C ATOM 513 CD PRO A 31 11.838 -0.407 -6.110 1.00 12.34 C ATOM 0 HA PRO A 31 11.170 2.331 -4.598 1.00 2.45 H new ATOM 0 HB2 PRO A 31 12.549 2.116 -7.280 1.00 32.02 H new ATOM 0 HB3 PRO A 31 13.258 2.561 -5.740 1.00 32.02 H new ATOM 0 HG2 PRO A 31 13.781 0.175 -6.813 1.00 24.13 H new ATOM 0 HG3 PRO A 31 13.571 0.333 -5.081 1.00 24.13 H new ATOM 0 HD2 PRO A 31 11.611 -0.703 -7.134 1.00 12.34 H new ATOM 0 HD3 PRO A 31 11.952 -1.324 -5.531 1.00 12.34 H new ATOM 521 N GLN A 32 9.408 2.068 -7.237 1.00 64.23 N ATOM 522 CA GLN A 32 8.432 2.764 -8.064 1.00 45.25 C ATOM 523 C GLN A 32 7.142 2.994 -7.284 1.00 22.30 C ATOM 524 O GLN A 32 6.544 4.067 -7.355 1.00 54.11 O ATOM 525 CB GLN A 32 8.122 1.981 -9.346 1.00 72.51 C ATOM 526 CG GLN A 32 9.316 1.778 -10.273 1.00 73.40 C ATOM 527 CD GLN A 32 10.238 0.662 -9.818 1.00 72.01 C ATOM 528 OE1 GLN A 32 9.803 -0.289 -9.172 1.00 73.53 O ATOM 529 NE2 GLN A 32 11.512 0.763 -10.162 1.00 12.13 N ATOM 0 H GLN A 32 9.389 1.052 -7.326 1.00 64.23 H new ATOM 0 HA GLN A 32 8.865 3.724 -8.343 1.00 45.25 H new ATOM 0 HB2 GLN A 32 7.722 1.005 -9.072 1.00 72.51 H new ATOM 0 HB3 GLN A 32 7.338 2.504 -9.894 1.00 72.51 H new ATOM 0 HG2 GLN A 32 8.955 1.557 -11.278 1.00 73.40 H new ATOM 0 HG3 GLN A 32 9.883 2.707 -10.335 1.00 73.40 H new ATOM 0 HE21 GLN A 32 11.833 1.569 -10.699 1.00 12.13 H new ATOM 0 HE22 GLN A 32 12.173 0.035 -9.890 1.00 12.13 H new ATOM 538 N ILE A 33 6.721 1.986 -6.531 1.00 13.14 N ATOM 539 CA ILE A 33 5.480 2.071 -5.771 1.00 13.33 C ATOM 540 C ILE A 33 5.615 1.363 -4.423 1.00 71.21 C ATOM 541 O ILE A 33 6.024 0.206 -4.352 1.00 24.30 O ATOM 542 CB ILE A 33 4.292 1.483 -6.570 1.00 0.03 C ATOM 543 CG1 ILE A 33 3.000 1.544 -5.748 1.00 30.24 C ATOM 544 CG2 ILE A 33 4.584 0.054 -7.015 1.00 51.21 C ATOM 545 CD1 ILE A 33 1.783 1.056 -6.502 1.00 3.04 C ATOM 0 H ILE A 33 7.219 1.102 -6.430 1.00 13.14 H new ATOM 0 HA ILE A 33 5.278 3.127 -5.589 1.00 13.33 H new ATOM 0 HB ILE A 33 4.156 2.091 -7.464 1.00 0.03 H new ATOM 0 HG12 ILE A 33 3.124 0.944 -4.846 1.00 30.24 H new ATOM 0 HG13 ILE A 33 2.831 2.572 -5.427 1.00 30.24 H new ATOM 0 HG21 ILE A 33 3.733 -0.334 -7.574 1.00 51.21 H new ATOM 0 HG22 ILE A 33 5.470 0.045 -7.650 1.00 51.21 H new ATOM 0 HG23 ILE A 33 4.759 -0.571 -6.139 1.00 51.21 H new ATOM 0 HD11 ILE A 33 0.905 1.127 -5.860 1.00 3.04 H new ATOM 0 HD12 ILE A 33 1.634 1.671 -7.390 1.00 3.04 H new ATOM 0 HD13 ILE A 33 1.932 0.018 -6.800 1.00 3.04 H new ATOM 557 N THR A 34 5.286 2.070 -3.353 1.00 4.22 N ATOM 558 CA THR A 34 5.414 1.526 -2.011 1.00 43.11 C ATOM 559 C THR A 34 4.058 1.432 -1.318 1.00 11.02 C ATOM 560 O THR A 34 3.357 2.431 -1.158 1.00 44.51 O ATOM 561 CB THR A 34 6.385 2.382 -1.175 1.00 11.02 C ATOM 562 OG1 THR A 34 7.706 2.278 -1.727 1.00 43.25 O ATOM 563 CG2 THR A 34 6.399 1.949 0.284 1.00 40.40 C ATOM 0 H THR A 34 4.927 3.024 -3.389 1.00 4.22 H new ATOM 0 HA THR A 34 5.817 0.517 -2.097 1.00 43.11 H new ATOM 0 HB THR A 34 6.045 3.417 -1.211 1.00 11.02 H new ATOM 0 HG1 THR A 34 8.291 2.940 -1.303 1.00 43.25 H new ATOM 0 HG21 THR A 34 7.095 2.575 0.843 1.00 40.40 H new ATOM 0 HG22 THR A 34 5.399 2.054 0.704 1.00 40.40 H new ATOM 0 HG23 THR A 34 6.713 0.907 0.351 1.00 40.40 H new ATOM 571 N ILE A 35 3.692 0.222 -0.916 1.00 22.23 N ATOM 572 CA ILE A 35 2.432 -0.010 -0.229 1.00 51.15 C ATOM 573 C ILE A 35 2.678 -0.226 1.259 1.00 55.10 C ATOM 574 O ILE A 35 3.381 -1.162 1.652 1.00 3.21 O ATOM 575 CB ILE A 35 1.697 -1.237 -0.807 1.00 41.23 C ATOM 576 CG1 ILE A 35 1.532 -1.087 -2.324 1.00 12.25 C ATOM 577 CG2 ILE A 35 0.340 -1.409 -0.131 1.00 60.53 C ATOM 578 CD1 ILE A 35 0.994 -2.325 -3.006 1.00 3.40 C ATOM 0 H ILE A 35 4.255 -0.617 -1.056 1.00 22.23 H new ATOM 0 HA ILE A 35 1.807 0.871 -0.376 1.00 51.15 H new ATOM 0 HB ILE A 35 2.292 -2.129 -0.611 1.00 41.23 H new ATOM 0 HG12 ILE A 35 0.861 -0.252 -2.526 1.00 12.25 H new ATOM 0 HG13 ILE A 35 2.498 -0.833 -2.762 1.00 12.25 H new ATOM 0 HG21 ILE A 35 -0.167 -2.279 -0.549 1.00 60.53 H new ATOM 0 HG22 ILE A 35 0.483 -1.552 0.940 1.00 60.53 H new ATOM 0 HG23 ILE A 35 -0.266 -0.519 -0.301 1.00 60.53 H new ATOM 0 HD11 ILE A 35 0.905 -2.141 -4.077 1.00 3.40 H new ATOM 0 HD12 ILE A 35 1.675 -3.159 -2.836 1.00 3.40 H new ATOM 0 HD13 ILE A 35 0.013 -2.569 -2.597 1.00 3.40 H new ATOM 590 N LEU A 36 2.113 0.646 2.081 1.00 43.11 N ATOM 591 CA LEU A 36 2.258 0.540 3.524 1.00 72.13 C ATOM 592 C LEU A 36 1.003 -0.069 4.140 1.00 53.22 C ATOM 593 O LEU A 36 -0.036 0.584 4.229 1.00 33.04 O ATOM 594 CB LEU A 36 2.528 1.915 4.140 1.00 71.01 C ATOM 595 CG LEU A 36 3.800 2.613 3.651 1.00 3.12 C ATOM 596 CD1 LEU A 36 3.903 4.011 4.235 1.00 23.43 C ATOM 597 CD2 LEU A 36 5.029 1.798 4.023 1.00 42.12 C ATOM 0 H LEU A 36 1.548 1.437 1.771 1.00 43.11 H new ATOM 0 HA LEU A 36 3.107 -0.110 3.735 1.00 72.13 H new ATOM 0 HB2 LEU A 36 1.676 2.562 3.932 1.00 71.01 H new ATOM 0 HB3 LEU A 36 2.587 1.804 5.223 1.00 71.01 H new ATOM 0 HG LEU A 36 3.748 2.694 2.565 1.00 3.12 H new ATOM 0 HD11 LEU A 36 4.814 4.490 3.875 1.00 23.43 H new ATOM 0 HD12 LEU A 36 3.038 4.599 3.927 1.00 23.43 H new ATOM 0 HD13 LEU A 36 3.931 3.950 5.323 1.00 23.43 H new ATOM 0 HD21 LEU A 36 5.925 2.308 3.668 1.00 42.12 H new ATOM 0 HD22 LEU A 36 5.079 1.689 5.106 1.00 42.12 H new ATOM 0 HD23 LEU A 36 4.966 0.813 3.561 1.00 42.12 H new ATOM 609 N GLY A 37 1.100 -1.326 4.547 1.00 51.33 N ATOM 610 CA GLY A 37 -0.041 -1.999 5.129 1.00 44.35 C ATOM 611 C GLY A 37 0.023 -2.028 6.639 1.00 4.14 C ATOM 612 O GLY A 37 0.772 -2.809 7.219 1.00 53.35 O ATOM 0 H GLY A 37 1.947 -1.891 4.485 1.00 51.33 H new ATOM 0 HA2 GLY A 37 -0.956 -1.497 4.815 1.00 44.35 H new ATOM 0 HA3 GLY A 37 -0.091 -3.020 4.749 1.00 44.35 H new ATOM 616 N ARG A 38 -0.758 -1.179 7.282 1.00 20.15 N ATOM 617 CA ARG A 38 -0.774 -1.122 8.732 1.00 40.41 C ATOM 618 C ARG A 38 -1.851 -2.060 9.256 1.00 40.24 C ATOM 619 O ARG A 38 -2.951 -2.119 8.708 1.00 52.44 O ATOM 620 CB ARG A 38 -1.032 0.313 9.207 1.00 0.11 C ATOM 621 CG ARG A 38 -0.395 0.666 10.553 1.00 64.35 C ATOM 622 CD ARG A 38 -1.069 -0.034 11.723 1.00 63.04 C ATOM 623 NE ARG A 38 -0.503 0.381 13.010 1.00 21.43 N ATOM 624 CZ ARG A 38 -0.597 -0.334 14.137 1.00 3.14 C ATOM 625 NH1 ARG A 38 -1.288 -1.468 14.155 1.00 60.11 N ATOM 626 NH2 ARG A 38 -0.039 0.105 15.259 1.00 15.14 N ATOM 0 H ARG A 38 -1.388 -0.521 6.824 1.00 20.15 H new ATOM 0 HA ARG A 38 0.196 -1.436 9.119 1.00 40.41 H new ATOM 0 HB2 ARG A 38 -0.658 1.004 8.451 1.00 0.11 H new ATOM 0 HB3 ARG A 38 -2.108 0.470 9.278 1.00 0.11 H new ATOM 0 HG2 ARG A 38 0.661 0.396 10.533 1.00 64.35 H new ATOM 0 HG3 ARG A 38 -0.445 1.745 10.702 1.00 64.35 H new ATOM 0 HD2 ARG A 38 -2.137 0.184 11.709 1.00 63.04 H new ATOM 0 HD3 ARG A 38 -0.962 -1.113 11.611 1.00 63.04 H new ATOM 0 HE ARG A 38 -0.006 1.271 13.049 1.00 21.43 H new ATOM 0 HH11 ARG A 38 -1.750 -1.797 13.307 1.00 60.11 H new ATOM 0 HH12 ARG A 38 -1.357 -2.010 15.017 1.00 60.11 H new ATOM 0 HH21 ARG A 38 0.465 0.992 15.265 1.00 15.14 H new ATOM 0 HH22 ARG A 38 -0.114 -0.445 16.115 1.00 15.14 H new ATOM 640 N LEU A 39 -1.522 -2.812 10.297 1.00 3.32 N ATOM 641 CA LEU A 39 -2.485 -3.701 10.930 1.00 24.31 C ATOM 642 C LEU A 39 -3.594 -2.889 11.595 1.00 25.44 C ATOM 643 O LEU A 39 -3.483 -2.509 12.759 1.00 3.51 O ATOM 644 CB LEU A 39 -1.807 -4.608 11.970 1.00 73.30 C ATOM 645 CG LEU A 39 -0.860 -5.687 11.422 1.00 61.05 C ATOM 646 CD1 LEU A 39 -1.539 -6.504 10.336 1.00 64.01 C ATOM 647 CD2 LEU A 39 0.439 -5.078 10.905 1.00 64.22 C ATOM 0 H LEU A 39 -0.594 -2.824 10.721 1.00 3.32 H new ATOM 0 HA LEU A 39 -2.916 -4.334 10.154 1.00 24.31 H new ATOM 0 HB2 LEU A 39 -1.244 -3.977 12.658 1.00 73.30 H new ATOM 0 HB3 LEU A 39 -2.585 -5.101 12.553 1.00 73.30 H new ATOM 0 HG LEU A 39 -0.610 -6.354 12.247 1.00 61.05 H new ATOM 0 HD11 LEU A 39 -0.848 -7.261 9.964 1.00 64.01 H new ATOM 0 HD12 LEU A 39 -2.424 -6.991 10.746 1.00 64.01 H new ATOM 0 HD13 LEU A 39 -1.833 -5.848 9.517 1.00 64.01 H new ATOM 0 HD21 LEU A 39 1.086 -5.869 10.525 1.00 64.22 H new ATOM 0 HD22 LEU A 39 0.217 -4.374 10.103 1.00 64.22 H new ATOM 0 HD23 LEU A 39 0.944 -4.555 11.717 1.00 64.22 H new ATOM 659 N ASN A 40 -4.625 -2.580 10.825 1.00 73.41 N ATOM 660 CA ASN A 40 -5.785 -1.858 11.328 1.00 64.22 C ATOM 661 C ASN A 40 -7.041 -2.655 11.023 1.00 45.22 C ATOM 662 O ASN A 40 -7.380 -2.876 9.860 1.00 22.24 O ATOM 663 CB ASN A 40 -5.878 -0.464 10.692 1.00 45.32 C ATOM 664 CG ASN A 40 -7.104 0.310 11.149 1.00 15.32 C ATOM 665 OD1 ASN A 40 -7.579 0.137 12.273 1.00 73.01 O ATOM 666 ND2 ASN A 40 -7.633 1.166 10.284 1.00 24.13 N ATOM 0 H ASN A 40 -4.682 -2.822 9.836 1.00 73.41 H new ATOM 0 HA ASN A 40 -5.683 -1.732 12.406 1.00 64.22 H new ATOM 0 HB2 ASN A 40 -4.982 0.104 10.940 1.00 45.32 H new ATOM 0 HB3 ASN A 40 -5.901 -0.565 9.607 1.00 45.32 H new ATOM 0 HD21 ASN A 40 -8.459 1.706 10.541 1.00 24.13 H new ATOM 0 HD22 ASN A 40 -7.213 1.284 9.362 1.00 24.13 H new ATOM 673 N SER A 41 -7.719 -3.097 12.068 1.00 14.34 N ATOM 674 CA SER A 41 -8.892 -3.938 11.912 1.00 74.12 C ATOM 675 C SER A 41 -10.115 -3.091 11.573 1.00 52.23 C ATOM 676 O SER A 41 -10.853 -2.649 12.456 1.00 74.12 O ATOM 677 CB SER A 41 -9.137 -4.757 13.186 1.00 32.43 C ATOM 678 OG SER A 41 -10.191 -5.688 13.008 1.00 12.22 O ATOM 0 H SER A 41 -7.476 -2.886 13.036 1.00 14.34 H new ATOM 0 HA SER A 41 -8.716 -4.629 11.088 1.00 74.12 H new ATOM 0 HB2 SER A 41 -8.225 -5.286 13.461 1.00 32.43 H new ATOM 0 HB3 SER A 41 -9.377 -4.086 14.011 1.00 32.43 H new ATOM 0 HG SER A 41 -10.322 -6.196 13.836 1.00 12.22 H new ATOM 684 N LEU A 42 -10.289 -2.824 10.286 1.00 64.34 N ATOM 685 CA LEU A 42 -11.458 -2.103 9.807 1.00 61.44 C ATOM 686 C LEU A 42 -12.527 -3.095 9.359 1.00 72.32 C ATOM 687 O LEU A 42 -13.677 -2.730 9.112 1.00 41.11 O ATOM 688 CB LEU A 42 -11.076 -1.177 8.647 1.00 64.34 C ATOM 689 CG LEU A 42 -12.189 -0.241 8.164 1.00 51.22 C ATOM 690 CD1 LEU A 42 -12.552 0.765 9.246 1.00 13.25 C ATOM 691 CD2 LEU A 42 -11.774 0.467 6.886 1.00 33.51 C ATOM 0 H LEU A 42 -9.633 -3.097 9.554 1.00 64.34 H new ATOM 0 HA LEU A 42 -11.854 -1.493 10.619 1.00 61.44 H new ATOM 0 HB2 LEU A 42 -10.222 -0.572 8.952 1.00 64.34 H new ATOM 0 HB3 LEU A 42 -10.749 -1.790 7.807 1.00 64.34 H new ATOM 0 HG LEU A 42 -13.073 -0.841 7.949 1.00 51.22 H new ATOM 0 HD11 LEU A 42 -13.344 1.420 8.883 1.00 13.25 H new ATOM 0 HD12 LEU A 42 -12.898 0.236 10.134 1.00 13.25 H new ATOM 0 HD13 LEU A 42 -11.675 1.361 9.498 1.00 13.25 H new ATOM 0 HD21 LEU A 42 -12.577 1.127 6.559 1.00 33.51 H new ATOM 0 HD22 LEU A 42 -10.874 1.054 7.071 1.00 33.51 H new ATOM 0 HD23 LEU A 42 -11.572 -0.271 6.110 1.00 33.51 H new ATOM 703 N GLY A 43 -12.132 -4.355 9.247 1.00 74.12 N ATOM 704 CA GLY A 43 -13.055 -5.391 8.831 1.00 4.51 C ATOM 705 C GLY A 43 -12.961 -5.679 7.347 1.00 32.03 C ATOM 706 O GLY A 43 -13.232 -6.795 6.901 1.00 3.22 O ATOM 0 H GLY A 43 -11.184 -4.679 9.438 1.00 74.12 H new ATOM 0 HA2 GLY A 43 -12.850 -6.304 9.390 1.00 4.51 H new ATOM 0 HA3 GLY A 43 -14.073 -5.088 9.077 1.00 4.51 H new ATOM 710 N HIS A 44 -12.562 -4.674 6.579 1.00 40.52 N ATOM 711 CA HIS A 44 -12.440 -4.810 5.131 1.00 50.42 C ATOM 712 C HIS A 44 -11.110 -4.225 4.674 1.00 20.20 C ATOM 713 O HIS A 44 -10.603 -3.293 5.299 1.00 65.55 O ATOM 714 CB HIS A 44 -13.598 -4.093 4.420 1.00 43.52 C ATOM 715 CG HIS A 44 -14.952 -4.444 4.958 1.00 31.42 C ATOM 716 ND1 HIS A 44 -15.547 -5.674 4.776 1.00 34.55 N ATOM 717 CD2 HIS A 44 -15.815 -3.719 5.706 1.00 63.33 C ATOM 718 CE1 HIS A 44 -16.717 -5.687 5.390 1.00 35.34 C ATOM 719 NE2 HIS A 44 -16.903 -4.514 5.963 1.00 25.14 N ATOM 0 H HIS A 44 -12.316 -3.751 6.936 1.00 40.52 H new ATOM 0 HA HIS A 44 -12.480 -5.868 4.874 1.00 50.42 H new ATOM 0 HB2 HIS A 44 -13.452 -3.016 4.505 1.00 43.52 H new ATOM 0 HB3 HIS A 44 -13.566 -4.336 3.358 1.00 43.52 H new ATOM 0 HD2 HIS A 44 -15.673 -2.702 6.039 1.00 63.33 H new ATOM 0 HE1 HIS A 44 -17.405 -6.519 5.418 1.00 35.34 H new ATOM 0 HE2 HIS A 44 -17.721 -4.242 6.508 1.00 25.14 H new ATOM 728 N PRO A 45 -10.516 -4.771 3.600 1.00 24.33 N ATOM 729 CA PRO A 45 -9.267 -4.251 3.035 1.00 34.13 C ATOM 730 C PRO A 45 -9.430 -2.823 2.527 1.00 25.15 C ATOM 731 O PRO A 45 -10.119 -2.574 1.533 1.00 63.13 O ATOM 732 CB PRO A 45 -8.958 -5.207 1.876 1.00 32.12 C ATOM 733 CG PRO A 45 -9.765 -6.426 2.158 1.00 32.32 C ATOM 734 CD PRO A 45 -11.002 -5.944 2.858 1.00 75.21 C ATOM 0 HA PRO A 45 -8.469 -4.208 3.776 1.00 34.13 H new ATOM 0 HB2 PRO A 45 -9.230 -4.766 0.917 1.00 32.12 H new ATOM 0 HB3 PRO A 45 -7.894 -5.440 1.829 1.00 32.12 H new ATOM 0 HG2 PRO A 45 -10.016 -6.950 1.236 1.00 32.32 H new ATOM 0 HG3 PRO A 45 -9.210 -7.127 2.782 1.00 32.32 H new ATOM 0 HD2 PRO A 45 -11.790 -5.679 2.152 1.00 75.21 H new ATOM 0 HD3 PRO A 45 -11.412 -6.703 3.524 1.00 75.21 H new ATOM 742 N ARG A 46 -8.808 -1.890 3.223 1.00 4.13 N ATOM 743 CA ARG A 46 -8.935 -0.476 2.907 1.00 60.13 C ATOM 744 C ARG A 46 -7.780 -0.025 2.021 1.00 12.32 C ATOM 745 O ARG A 46 -6.630 -0.365 2.282 1.00 41.13 O ATOM 746 CB ARG A 46 -8.950 0.334 4.206 1.00 21.31 C ATOM 747 CG ARG A 46 -9.250 1.812 4.022 1.00 54.14 C ATOM 748 CD ARG A 46 -9.166 2.546 5.349 1.00 14.01 C ATOM 749 NE ARG A 46 -9.574 3.943 5.252 1.00 53.55 N ATOM 750 CZ ARG A 46 -8.966 4.936 5.898 1.00 21.53 C ATOM 751 NH1 ARG A 46 -7.883 4.695 6.631 1.00 64.13 N ATOM 752 NH2 ARG A 46 -9.443 6.170 5.803 1.00 11.23 N ATOM 0 H ARG A 46 -8.203 -2.087 4.020 1.00 4.13 H new ATOM 0 HA ARG A 46 -9.867 -0.312 2.366 1.00 60.13 H new ATOM 0 HB2 ARG A 46 -9.694 -0.094 4.878 1.00 21.31 H new ATOM 0 HB3 ARG A 46 -7.981 0.231 4.695 1.00 21.31 H new ATOM 0 HG2 ARG A 46 -8.543 2.246 3.315 1.00 54.14 H new ATOM 0 HG3 ARG A 46 -10.245 1.936 3.595 1.00 54.14 H new ATOM 0 HD2 ARG A 46 -9.796 2.039 6.080 1.00 14.01 H new ATOM 0 HD3 ARG A 46 -8.143 2.497 5.722 1.00 14.01 H new ATOM 0 HE ARG A 46 -10.369 4.172 4.656 1.00 53.55 H new ATOM 0 HH11 ARG A 46 -7.515 3.746 6.700 1.00 64.13 H new ATOM 0 HH12 ARG A 46 -7.421 5.459 7.124 1.00 64.13 H new ATOM 0 HH21 ARG A 46 -10.271 6.354 5.237 1.00 11.23 H new ATOM 0 HH22 ARG A 46 -8.981 6.935 6.296 1.00 11.23 H new ATOM 766 N ILE A 47 -8.086 0.727 0.972 1.00 21.51 N ATOM 767 CA ILE A 47 -7.049 1.235 0.089 1.00 13.22 C ATOM 768 C ILE A 47 -7.089 2.759 0.032 1.00 3.41 C ATOM 769 O ILE A 47 -8.140 3.363 -0.197 1.00 34.11 O ATOM 770 CB ILE A 47 -7.154 0.646 -1.346 1.00 12.23 C ATOM 771 CG1 ILE A 47 -5.953 1.097 -2.188 1.00 24.12 C ATOM 772 CG2 ILE A 47 -8.464 1.049 -2.022 1.00 11.31 C ATOM 773 CD1 ILE A 47 -5.992 0.613 -3.621 1.00 74.40 C ATOM 0 H ILE A 47 -9.036 0.996 0.715 1.00 21.51 H new ATOM 0 HA ILE A 47 -6.094 0.915 0.506 1.00 13.22 H new ATOM 0 HB ILE A 47 -7.146 -0.441 -1.267 1.00 12.23 H new ATOM 0 HG12 ILE A 47 -5.907 2.186 -2.184 1.00 24.12 H new ATOM 0 HG13 ILE A 47 -5.037 0.738 -1.718 1.00 24.12 H new ATOM 0 HG21 ILE A 47 -8.504 0.620 -3.023 1.00 11.31 H new ATOM 0 HG22 ILE A 47 -9.305 0.679 -1.435 1.00 11.31 H new ATOM 0 HG23 ILE A 47 -8.519 2.135 -2.090 1.00 11.31 H new ATOM 0 HD11 ILE A 47 -5.110 0.973 -4.151 1.00 74.40 H new ATOM 0 HD12 ILE A 47 -6.005 -0.477 -3.637 1.00 74.40 H new ATOM 0 HD13 ILE A 47 -6.889 0.994 -4.109 1.00 74.40 H new ATOM 785 N GLY A 48 -5.947 3.374 0.278 1.00 32.43 N ATOM 786 CA GLY A 48 -5.836 4.812 0.159 1.00 71.14 C ATOM 787 C GLY A 48 -4.588 5.205 -0.598 1.00 34.32 C ATOM 788 O GLY A 48 -3.498 4.756 -0.266 1.00 21.51 O ATOM 0 H GLY A 48 -5.088 2.901 0.560 1.00 32.43 H new ATOM 0 HA2 GLY A 48 -6.714 5.206 -0.353 1.00 71.14 H new ATOM 0 HA3 GLY A 48 -5.818 5.261 1.152 1.00 71.14 H new ATOM 792 N LEU A 49 -4.736 6.026 -1.623 1.00 61.32 N ATOM 793 CA LEU A 49 -3.596 6.417 -2.440 1.00 71.13 C ATOM 794 C LEU A 49 -3.103 7.802 -2.046 1.00 20.02 C ATOM 795 O LEU A 49 -3.856 8.776 -2.091 1.00 74.14 O ATOM 796 CB LEU A 49 -3.966 6.396 -3.925 1.00 10.51 C ATOM 797 CG LEU A 49 -2.805 6.668 -4.883 1.00 31.25 C ATOM 798 CD1 LEU A 49 -1.824 5.506 -4.876 1.00 2.15 C ATOM 799 CD2 LEU A 49 -3.319 6.931 -6.287 1.00 31.31 C ATOM 0 H LEU A 49 -5.626 6.433 -1.910 1.00 61.32 H new ATOM 0 HA LEU A 49 -2.794 5.699 -2.268 1.00 71.13 H new ATOM 0 HB2 LEU A 49 -4.394 5.423 -4.164 1.00 10.51 H new ATOM 0 HB3 LEU A 49 -4.744 7.138 -4.101 1.00 10.51 H new ATOM 0 HG LEU A 49 -2.280 7.560 -4.542 1.00 31.25 H new ATOM 0 HD11 LEU A 49 -1.005 5.717 -5.563 1.00 2.15 H new ATOM 0 HD12 LEU A 49 -1.428 5.371 -3.870 1.00 2.15 H new ATOM 0 HD13 LEU A 49 -2.336 4.596 -5.190 1.00 2.15 H new ATOM 0 HD21 LEU A 49 -2.477 7.122 -6.953 1.00 31.31 H new ATOM 0 HD22 LEU A 49 -3.871 6.061 -6.641 1.00 31.31 H new ATOM 0 HD23 LEU A 49 -3.978 7.799 -6.277 1.00 31.31 H new ATOM 811 N THR A 50 -1.845 7.879 -1.650 1.00 62.51 N ATOM 812 CA THR A 50 -1.234 9.144 -1.278 1.00 75.32 C ATOM 813 C THR A 50 -0.041 9.437 -2.183 1.00 14.43 C ATOM 814 O THR A 50 1.038 8.873 -2.010 1.00 11.12 O ATOM 815 CB THR A 50 -0.777 9.131 0.193 1.00 55.13 C ATOM 816 OG1 THR A 50 -1.852 8.678 1.025 1.00 11.01 O ATOM 817 CG2 THR A 50 -0.341 10.521 0.641 1.00 72.44 C ATOM 0 H THR A 50 -1.222 7.074 -1.577 1.00 62.51 H new ATOM 0 HA THR A 50 -1.983 9.926 -1.399 1.00 75.32 H new ATOM 0 HB THR A 50 0.074 8.455 0.283 1.00 55.13 H new ATOM 0 HG1 THR A 50 -1.560 8.668 1.960 1.00 11.01 H new ATOM 0 HG21 THR A 50 -0.023 10.484 1.683 1.00 72.44 H new ATOM 0 HG22 THR A 50 0.488 10.860 0.020 1.00 72.44 H new ATOM 0 HG23 THR A 50 -1.176 11.214 0.541 1.00 72.44 H new ATOM 825 N VAL A 51 -0.251 10.300 -3.164 1.00 61.30 N ATOM 826 CA VAL A 51 0.796 10.630 -4.121 1.00 53.42 C ATOM 827 C VAL A 51 0.956 12.141 -4.236 1.00 21.25 C ATOM 828 O VAL A 51 -0.022 12.862 -4.447 1.00 3.14 O ATOM 829 CB VAL A 51 0.491 10.051 -5.521 1.00 43.41 C ATOM 830 CG1 VAL A 51 1.621 10.355 -6.493 1.00 13.51 C ATOM 831 CG2 VAL A 51 0.246 8.554 -5.447 1.00 11.11 C ATOM 0 H VAL A 51 -1.135 10.785 -3.319 1.00 61.30 H new ATOM 0 HA VAL A 51 1.720 10.185 -3.752 1.00 53.42 H new ATOM 0 HB VAL A 51 -0.416 10.530 -5.889 1.00 43.41 H new ATOM 0 HG11 VAL A 51 1.382 9.937 -7.471 1.00 13.51 H new ATOM 0 HG12 VAL A 51 1.745 11.434 -6.580 1.00 13.51 H new ATOM 0 HG13 VAL A 51 2.546 9.912 -6.125 1.00 13.51 H new ATOM 0 HG21 VAL A 51 0.034 8.170 -6.445 1.00 11.11 H new ATOM 0 HG22 VAL A 51 1.132 8.060 -5.049 1.00 11.11 H new ATOM 0 HG23 VAL A 51 -0.604 8.356 -4.794 1.00 11.11 H new ATOM 841 N ALA A 52 2.185 12.616 -4.084 1.00 21.25 N ATOM 842 CA ALA A 52 2.478 14.028 -4.239 1.00 31.41 C ATOM 843 C ALA A 52 2.734 14.360 -5.703 1.00 44.22 C ATOM 844 O ALA A 52 3.043 13.478 -6.507 1.00 51.12 O ATOM 845 CB ALA A 52 3.680 14.411 -3.389 1.00 21.43 C ATOM 0 H ALA A 52 2.994 12.040 -3.853 1.00 21.25 H new ATOM 0 HA ALA A 52 1.615 14.603 -3.902 1.00 31.41 H new ATOM 0 HB1 ALA A 52 3.890 15.473 -3.514 1.00 21.43 H new ATOM 0 HB2 ALA A 52 3.465 14.204 -2.341 1.00 21.43 H new ATOM 0 HB3 ALA A 52 4.547 13.830 -3.703 1.00 21.43 H new ATOM 851 N LYS A 53 2.619 15.635 -6.041 1.00 5.32 N ATOM 852 CA LYS A 53 2.832 16.092 -7.408 1.00 32.42 C ATOM 853 C LYS A 53 4.324 16.061 -7.756 1.00 10.23 C ATOM 854 O LYS A 53 4.715 16.208 -8.916 1.00 41.33 O ATOM 855 CB LYS A 53 2.256 17.503 -7.574 1.00 51.40 C ATOM 856 CG LYS A 53 2.292 18.029 -8.999 1.00 74.13 C ATOM 857 CD LYS A 53 1.564 19.355 -9.119 1.00 60.31 C ATOM 858 CE LYS A 53 1.733 19.957 -10.503 1.00 65.55 C ATOM 859 NZ LYS A 53 3.149 20.311 -10.781 1.00 12.21 N ATOM 0 H LYS A 53 2.378 16.377 -5.384 1.00 5.32 H new ATOM 0 HA LYS A 53 2.316 15.422 -8.096 1.00 32.42 H new ATOM 0 HB2 LYS A 53 1.224 17.505 -7.224 1.00 51.40 H new ATOM 0 HB3 LYS A 53 2.811 18.187 -6.932 1.00 51.40 H new ATOM 0 HG2 LYS A 53 3.327 18.151 -9.317 1.00 74.13 H new ATOM 0 HG3 LYS A 53 1.836 17.300 -9.669 1.00 74.13 H new ATOM 0 HD2 LYS A 53 0.504 19.210 -8.911 1.00 60.31 H new ATOM 0 HD3 LYS A 53 1.944 20.049 -8.370 1.00 60.31 H new ATOM 0 HE2 LYS A 53 1.381 19.249 -11.253 1.00 65.55 H new ATOM 0 HE3 LYS A 53 1.112 20.848 -10.590 1.00 65.55 H new ATOM 0 HZ1 LYS A 53 3.191 20.966 -11.587 1.00 12.21 H new ATOM 0 HZ2 LYS A 53 3.564 20.766 -9.943 1.00 12.21 H new ATOM 0 HZ3 LYS A 53 3.684 19.449 -11.007 1.00 12.21 H new ATOM 873 N LYS A 54 5.153 15.865 -6.736 1.00 5.43 N ATOM 874 CA LYS A 54 6.589 15.713 -6.926 1.00 73.24 C ATOM 875 C LYS A 54 6.918 14.284 -7.345 1.00 21.33 C ATOM 876 O LYS A 54 7.952 14.025 -7.957 1.00 71.11 O ATOM 877 CB LYS A 54 7.339 16.060 -5.635 1.00 12.23 C ATOM 878 CG LYS A 54 7.061 17.464 -5.122 1.00 12.51 C ATOM 879 CD LYS A 54 7.463 18.524 -6.134 1.00 62.14 C ATOM 880 CE LYS A 54 7.244 19.927 -5.587 1.00 1.50 C ATOM 881 NZ LYS A 54 8.079 20.198 -4.386 1.00 30.42 N ATOM 0 H LYS A 54 4.851 15.808 -5.763 1.00 5.43 H new ATOM 0 HA LYS A 54 6.906 16.397 -7.713 1.00 73.24 H new ATOM 0 HB2 LYS A 54 7.066 15.341 -4.863 1.00 12.23 H new ATOM 0 HB3 LYS A 54 8.410 15.952 -5.808 1.00 12.23 H new ATOM 0 HG2 LYS A 54 6.000 17.564 -4.893 1.00 12.51 H new ATOM 0 HG3 LYS A 54 7.605 17.625 -4.191 1.00 12.51 H new ATOM 0 HD2 LYS A 54 8.512 18.396 -6.400 1.00 62.14 H new ATOM 0 HD3 LYS A 54 6.884 18.394 -7.048 1.00 62.14 H new ATOM 0 HE2 LYS A 54 7.477 20.658 -6.362 1.00 1.50 H new ATOM 0 HE3 LYS A 54 6.192 20.056 -5.333 1.00 1.50 H new ATOM 0 HZ1 LYS A 54 8.096 21.221 -4.199 1.00 30.42 H new ATOM 0 HZ2 LYS A 54 7.677 19.702 -3.565 1.00 30.42 H new ATOM 0 HZ3 LYS A 54 9.048 19.861 -4.554 1.00 30.42 H new ATOM 895 N ASN A 55 6.020 13.367 -7.015 1.00 11.24 N ATOM 896 CA ASN A 55 6.205 11.955 -7.320 1.00 43.33 C ATOM 897 C ASN A 55 5.783 11.683 -8.754 1.00 24.22 C ATOM 898 O ASN A 55 6.552 11.158 -9.561 1.00 54.44 O ATOM 899 CB ASN A 55 5.378 11.084 -6.365 1.00 63.41 C ATOM 900 CG ASN A 55 5.760 11.255 -4.902 1.00 24.41 C ATOM 901 OD1 ASN A 55 6.232 12.309 -4.478 1.00 2.44 O ATOM 902 ND2 ASN A 55 5.539 10.217 -4.114 1.00 5.11 N ATOM 0 H ASN A 55 5.147 13.579 -6.531 1.00 11.24 H new ATOM 0 HA ASN A 55 7.259 11.706 -7.195 1.00 43.33 H new ATOM 0 HB2 ASN A 55 4.322 11.326 -6.487 1.00 63.41 H new ATOM 0 HB3 ASN A 55 5.499 10.037 -6.644 1.00 63.41 H new ATOM 0 HD21 ASN A 55 5.761 10.275 -3.120 1.00 5.11 H new ATOM 0 HD22 ASN A 55 5.146 9.358 -4.500 1.00 5.11 H new ATOM 909 N VAL A 56 4.547 12.048 -9.061 1.00 34.24 N ATOM 910 CA VAL A 56 4.025 11.928 -10.411 1.00 22.34 C ATOM 911 C VAL A 56 3.861 13.315 -11.018 1.00 3.32 C ATOM 912 O VAL A 56 2.985 14.083 -10.615 1.00 21.32 O ATOM 913 CB VAL A 56 2.675 11.172 -10.445 1.00 34.11 C ATOM 914 CG1 VAL A 56 2.170 11.030 -11.873 1.00 1.12 C ATOM 915 CG2 VAL A 56 2.808 9.802 -9.797 1.00 30.13 C ATOM 0 H VAL A 56 3.884 12.432 -8.387 1.00 34.24 H new ATOM 0 HA VAL A 56 4.738 11.348 -10.996 1.00 22.34 H new ATOM 0 HB VAL A 56 1.950 11.756 -9.878 1.00 34.11 H new ATOM 0 HG11 VAL A 56 1.220 10.495 -11.872 1.00 1.12 H new ATOM 0 HG12 VAL A 56 2.029 12.019 -12.309 1.00 1.12 H new ATOM 0 HG13 VAL A 56 2.898 10.474 -12.463 1.00 1.12 H new ATOM 0 HG21 VAL A 56 1.847 9.288 -9.832 1.00 30.13 H new ATOM 0 HG22 VAL A 56 3.553 9.216 -10.335 1.00 30.13 H new ATOM 0 HG23 VAL A 56 3.119 9.919 -8.759 1.00 30.13 H new ATOM 925 N ARG A 57 4.712 13.620 -11.990 1.00 23.52 N ATOM 926 CA ARG A 57 4.760 14.942 -12.617 1.00 33.24 C ATOM 927 C ARG A 57 3.570 15.174 -13.547 1.00 14.04 C ATOM 928 O ARG A 57 3.470 16.216 -14.197 1.00 71.10 O ATOM 929 CB ARG A 57 6.053 15.079 -13.420 1.00 12.20 C ATOM 930 CG ARG A 57 7.319 15.008 -12.582 1.00 51.12 C ATOM 931 CD ARG A 57 8.554 14.920 -13.463 1.00 40.25 C ATOM 932 NE ARG A 57 8.581 15.978 -14.473 1.00 52.42 N ATOM 933 CZ ARG A 57 9.274 15.912 -15.608 1.00 43.15 C ATOM 934 NH1 ARG A 57 10.004 14.839 -15.890 1.00 21.31 N ATOM 935 NH2 ARG A 57 9.217 16.921 -16.466 1.00 44.41 N ATOM 0 H ARG A 57 5.391 12.959 -12.369 1.00 23.52 H new ATOM 0 HA ARG A 57 4.721 15.687 -11.822 1.00 33.24 H new ATOM 0 HB2 ARG A 57 6.085 14.291 -14.173 1.00 12.20 H new ATOM 0 HB3 ARG A 57 6.037 16.029 -13.953 1.00 12.20 H new ATOM 0 HG2 ARG A 57 7.386 15.889 -11.943 1.00 51.12 H new ATOM 0 HG3 ARG A 57 7.275 14.140 -11.924 1.00 51.12 H new ATOM 0 HD2 ARG A 57 9.448 14.988 -12.843 1.00 40.25 H new ATOM 0 HD3 ARG A 57 8.580 13.948 -13.955 1.00 40.25 H new ATOM 0 HE ARG A 57 8.034 16.820 -14.296 1.00 52.42 H new ATOM 0 HH11 ARG A 57 10.037 14.058 -15.235 1.00 21.31 H new ATOM 0 HH12 ARG A 57 10.532 14.796 -16.762 1.00 21.31 H new ATOM 0 HH21 ARG A 57 8.646 17.739 -16.254 1.00 44.41 H new ATOM 0 HH22 ARG A 57 9.744 16.879 -17.338 1.00 44.41 H new ATOM 949 N ARG A 58 2.680 14.202 -13.614 1.00 74.24 N ATOM 950 CA ARG A 58 1.554 14.256 -14.530 1.00 25.43 C ATOM 951 C ARG A 58 0.234 14.105 -13.782 1.00 70.21 C ATOM 952 O ARG A 58 0.215 13.864 -12.569 1.00 1.51 O ATOM 953 CB ARG A 58 1.693 13.157 -15.582 1.00 33.11 C ATOM 954 CG ARG A 58 2.902 13.308 -16.501 1.00 50.25 C ATOM 955 CD ARG A 58 2.736 14.455 -17.491 1.00 21.40 C ATOM 956 NE ARG A 58 2.735 15.766 -16.838 1.00 1.02 N ATOM 957 CZ ARG A 58 2.401 16.906 -17.445 1.00 1.33 C ATOM 958 NH1 ARG A 58 2.059 16.909 -18.730 1.00 3.13 N ATOM 959 NH2 ARG A 58 2.424 18.046 -16.765 1.00 34.12 N ATOM 0 H ARG A 58 2.715 13.359 -13.041 1.00 74.24 H new ATOM 0 HA ARG A 58 1.553 15.229 -15.022 1.00 25.43 H new ATOM 0 HB2 ARG A 58 1.755 12.194 -15.076 1.00 33.11 H new ATOM 0 HB3 ARG A 58 0.790 13.139 -16.192 1.00 33.11 H new ATOM 0 HG2 ARG A 58 3.795 13.477 -15.899 1.00 50.25 H new ATOM 0 HG3 ARG A 58 3.058 12.378 -17.048 1.00 50.25 H new ATOM 0 HD2 ARG A 58 3.543 14.418 -18.223 1.00 21.40 H new ATOM 0 HD3 ARG A 58 1.803 14.325 -18.039 1.00 21.40 H new ATOM 0 HE ARG A 58 3.007 15.810 -15.856 1.00 1.02 H new ATOM 0 HH11 ARG A 58 2.051 16.036 -19.258 1.00 3.13 H new ATOM 0 HH12 ARG A 58 1.805 17.784 -19.188 1.00 3.13 H new ATOM 0 HH21 ARG A 58 2.696 18.048 -15.782 1.00 34.12 H new ATOM 0 HH22 ARG A 58 2.169 18.920 -17.226 1.00 34.12 H new ATOM 973 N ALA A 59 -0.866 14.241 -14.506 1.00 51.45 N ATOM 974 CA ALA A 59 -2.190 14.124 -13.919 1.00 70.31 C ATOM 975 C ALA A 59 -2.952 12.953 -14.533 1.00 54.41 C ATOM 976 O ALA A 59 -3.529 12.131 -13.820 1.00 13.44 O ATOM 977 CB ALA A 59 -2.965 15.421 -14.094 1.00 54.14 C ATOM 0 H ALA A 59 -0.866 14.434 -15.508 1.00 51.45 H new ATOM 0 HA ALA A 59 -2.077 13.932 -12.852 1.00 70.31 H new ATOM 0 HB1 ALA A 59 -3.954 15.317 -13.649 1.00 54.14 H new ATOM 0 HB2 ALA A 59 -2.430 16.234 -13.603 1.00 54.14 H new ATOM 0 HB3 ALA A 59 -3.067 15.644 -15.156 1.00 54.14 H new ATOM 983 N HIS A 60 -2.923 12.863 -15.859 1.00 41.42 N ATOM 984 CA HIS A 60 -3.617 11.792 -16.569 1.00 32.04 C ATOM 985 C HIS A 60 -2.965 10.451 -16.264 1.00 71.53 C ATOM 986 O HIS A 60 -3.646 9.466 -15.977 1.00 4.21 O ATOM 987 CB HIS A 60 -3.605 12.039 -18.079 1.00 2.43 C ATOM 988 CG HIS A 60 -4.425 13.216 -18.516 1.00 25.15 C ATOM 989 ND1 HIS A 60 -3.873 14.375 -19.017 1.00 70.32 N ATOM 990 CD2 HIS A 60 -5.765 13.400 -18.542 1.00 60.20 C ATOM 991 CE1 HIS A 60 -4.836 15.220 -19.329 1.00 34.40 C ATOM 992 NE2 HIS A 60 -5.992 14.652 -19.050 1.00 51.10 N ATOM 0 H HIS A 60 -2.427 13.518 -16.464 1.00 41.42 H new ATOM 0 HA HIS A 60 -4.652 11.776 -16.228 1.00 32.04 H new ATOM 0 HB2 HIS A 60 -2.575 12.188 -18.403 1.00 2.43 H new ATOM 0 HB3 HIS A 60 -3.973 11.146 -18.585 1.00 2.43 H new ATOM 0 HD2 HIS A 60 -6.515 12.692 -18.222 1.00 60.20 H new ATOM 0 HE1 HIS A 60 -4.701 16.208 -19.742 1.00 34.40 H new ATOM 0 HE2 HIS A 60 -6.909 15.076 -19.190 1.00 51.10 H new ATOM 1001 N GLU A 61 -1.641 10.431 -16.326 1.00 10.21 N ATOM 1002 CA GLU A 61 -0.860 9.244 -16.004 1.00 52.50 C ATOM 1003 C GLU A 61 -1.123 8.811 -14.564 1.00 44.23 C ATOM 1004 O GLU A 61 -1.180 7.622 -14.259 1.00 3.43 O ATOM 1005 CB GLU A 61 0.639 9.526 -16.199 1.00 74.35 C ATOM 1006 CG GLU A 61 1.076 9.696 -17.653 1.00 44.42 C ATOM 1007 CD GLU A 61 0.361 10.824 -18.381 1.00 52.33 C ATOM 1008 OE1 GLU A 61 0.092 11.870 -17.755 1.00 31.05 O ATOM 1009 OE2 GLU A 61 0.048 10.656 -19.578 1.00 73.31 O ATOM 0 H GLU A 61 -1.078 11.236 -16.601 1.00 10.21 H new ATOM 0 HA GLU A 61 -1.160 8.439 -16.675 1.00 52.50 H new ATOM 0 HB2 GLU A 61 0.899 10.430 -15.648 1.00 74.35 H new ATOM 0 HB3 GLU A 61 1.208 8.709 -15.757 1.00 74.35 H new ATOM 0 HG2 GLU A 61 2.150 9.881 -17.681 1.00 44.42 H new ATOM 0 HG3 GLU A 61 0.900 8.762 -18.187 1.00 44.42 H new ATOM 1016 N ARG A 62 -1.310 9.797 -13.692 1.00 43.45 N ATOM 1017 CA ARG A 62 -1.550 9.541 -12.278 1.00 74.21 C ATOM 1018 C ARG A 62 -2.927 8.923 -12.058 1.00 14.51 C ATOM 1019 O ARG A 62 -3.124 8.142 -11.127 1.00 12.44 O ATOM 1020 CB ARG A 62 -1.387 10.837 -11.474 1.00 44.11 C ATOM 1021 CG ARG A 62 -1.845 10.741 -10.027 1.00 54.12 C ATOM 1022 CD ARG A 62 -0.992 11.605 -9.107 1.00 1.25 C ATOM 1023 NE ARG A 62 -0.713 12.929 -9.669 1.00 52.32 N ATOM 1024 CZ ARG A 62 -0.622 14.040 -8.938 1.00 50.20 C ATOM 1025 NH1 ARG A 62 -0.880 14.007 -7.638 1.00 64.44 N ATOM 1026 NH2 ARG A 62 -0.289 15.190 -9.512 1.00 24.34 N ATOM 0 H ARG A 62 -1.300 10.786 -13.943 1.00 43.45 H new ATOM 0 HA ARG A 62 -0.811 8.821 -11.925 1.00 74.21 H new ATOM 0 HB2 ARG A 62 -0.338 11.131 -11.491 1.00 44.11 H new ATOM 0 HB3 ARG A 62 -1.949 11.630 -11.968 1.00 44.11 H new ATOM 0 HG2 ARG A 62 -2.887 11.051 -9.954 1.00 54.12 H new ATOM 0 HG3 ARG A 62 -1.797 9.703 -9.698 1.00 54.12 H new ATOM 0 HD2 ARG A 62 -1.501 11.721 -8.150 1.00 1.25 H new ATOM 0 HD3 ARG A 62 -0.050 11.094 -8.907 1.00 1.25 H new ATOM 0 HE ARG A 62 -0.581 13.005 -10.678 1.00 52.32 H new ATOM 0 HH11 ARG A 62 -1.149 13.129 -7.194 1.00 64.44 H new ATOM 0 HH12 ARG A 62 -0.809 14.859 -7.082 1.00 64.44 H new ATOM 0 HH21 ARG A 62 -0.102 15.225 -10.514 1.00 24.34 H new ATOM 0 HH22 ARG A 62 -0.220 16.039 -8.951 1.00 24.34 H new ATOM 1040 N ASN A 63 -3.874 9.252 -12.929 1.00 65.54 N ATOM 1041 CA ASN A 63 -5.204 8.664 -12.859 1.00 61.14 C ATOM 1042 C ASN A 63 -5.136 7.151 -13.015 1.00 65.24 C ATOM 1043 O ASN A 63 -5.850 6.421 -12.328 1.00 51.32 O ATOM 1044 CB ASN A 63 -6.126 9.252 -13.927 1.00 62.00 C ATOM 1045 CG ASN A 63 -6.654 10.619 -13.553 1.00 32.00 C ATOM 1046 OD1 ASN A 63 -6.847 10.924 -12.376 1.00 72.30 O ATOM 1047 ND2 ASN A 63 -6.895 11.450 -14.552 1.00 13.01 N ATOM 0 H ASN A 63 -3.745 9.920 -13.689 1.00 65.54 H new ATOM 0 HA ASN A 63 -5.614 8.901 -11.877 1.00 61.14 H new ATOM 0 HB2 ASN A 63 -5.585 9.322 -14.870 1.00 62.00 H new ATOM 0 HB3 ASN A 63 -6.965 8.575 -14.090 1.00 62.00 H new ATOM 0 HD21 ASN A 63 -7.255 12.385 -14.362 1.00 13.01 H new ATOM 0 HD22 ASN A 63 -6.721 11.156 -15.513 1.00 13.01 H new ATOM 1054 N ARG A 64 -4.258 6.681 -13.896 1.00 20.44 N ATOM 1055 CA ARG A 64 -4.116 5.250 -14.138 1.00 72.44 C ATOM 1056 C ARG A 64 -3.355 4.572 -13.002 1.00 63.42 C ATOM 1057 O ARG A 64 -3.430 3.354 -12.840 1.00 25.22 O ATOM 1058 CB ARG A 64 -3.420 4.974 -15.477 1.00 24.21 C ATOM 1059 CG ARG A 64 -4.226 5.421 -16.686 1.00 72.53 C ATOM 1060 CD ARG A 64 -3.802 4.683 -17.949 1.00 62.12 C ATOM 1061 NE ARG A 64 -2.399 4.905 -18.291 1.00 34.03 N ATOM 1062 CZ ARG A 64 -1.612 3.975 -18.837 1.00 33.24 C ATOM 1063 NH1 ARG A 64 -2.071 2.746 -19.049 1.00 73.44 N ATOM 1064 NH2 ARG A 64 -0.362 4.271 -19.158 1.00 71.02 N ATOM 0 H ARG A 64 -3.636 7.268 -14.452 1.00 20.44 H new ATOM 0 HA ARG A 64 -5.121 4.830 -14.182 1.00 72.44 H new ATOM 0 HB2 ARG A 64 -2.455 5.481 -15.487 1.00 24.21 H new ATOM 0 HB3 ARG A 64 -3.220 3.906 -15.559 1.00 24.21 H new ATOM 0 HG2 ARG A 64 -5.286 5.247 -16.501 1.00 72.53 H new ATOM 0 HG3 ARG A 64 -4.100 6.494 -16.831 1.00 72.53 H new ATOM 0 HD2 ARG A 64 -3.974 3.615 -17.815 1.00 62.12 H new ATOM 0 HD3 ARG A 64 -4.429 5.005 -18.780 1.00 62.12 H new ATOM 0 HE ARG A 64 -1.998 5.823 -18.102 1.00 34.03 H new ATOM 0 HH11 ARG A 64 -3.030 2.509 -18.794 1.00 73.44 H new ATOM 0 HH12 ARG A 64 -1.465 2.040 -19.467 1.00 73.44 H new ATOM 0 HH21 ARG A 64 -0.000 5.209 -18.988 1.00 71.02 H new ATOM 0 HH22 ARG A 64 0.239 3.561 -19.575 1.00 71.02 H new ATOM 1078 N ILE A 65 -2.642 5.362 -12.207 1.00 55.30 N ATOM 1079 CA ILE A 65 -1.910 4.829 -11.064 1.00 21.04 C ATOM 1080 C ILE A 65 -2.877 4.234 -10.038 1.00 64.25 C ATOM 1081 O ILE A 65 -2.652 3.140 -9.519 1.00 61.55 O ATOM 1082 CB ILE A 65 -1.035 5.914 -10.389 1.00 64.23 C ATOM 1083 CG1 ILE A 65 0.018 6.448 -11.367 1.00 71.41 C ATOM 1084 CG2 ILE A 65 -0.363 5.368 -9.135 1.00 44.32 C ATOM 1085 CD1 ILE A 65 0.998 5.400 -11.854 1.00 71.55 C ATOM 0 H ILE A 65 -2.555 6.371 -12.332 1.00 55.30 H new ATOM 0 HA ILE A 65 -1.251 4.045 -11.437 1.00 21.04 H new ATOM 0 HB ILE A 65 -1.687 6.737 -10.098 1.00 64.23 H new ATOM 0 HG12 ILE A 65 -0.489 6.884 -12.228 1.00 71.41 H new ATOM 0 HG13 ILE A 65 0.573 7.252 -10.883 1.00 71.41 H new ATOM 0 HG21 ILE A 65 0.246 6.149 -8.679 1.00 44.32 H new ATOM 0 HG22 ILE A 65 -1.125 5.042 -8.427 1.00 44.32 H new ATOM 0 HG23 ILE A 65 0.271 4.522 -9.401 1.00 44.32 H new ATOM 0 HD11 ILE A 65 1.709 5.858 -12.541 1.00 71.55 H new ATOM 0 HD12 ILE A 65 1.535 4.980 -11.003 1.00 71.55 H new ATOM 0 HD13 ILE A 65 0.456 4.606 -12.368 1.00 71.55 H new ATOM 1097 N LYS A 66 -3.972 4.943 -9.768 1.00 62.24 N ATOM 1098 CA LYS A 66 -4.965 4.446 -8.821 1.00 73.22 C ATOM 1099 C LYS A 66 -5.846 3.393 -9.485 1.00 34.32 C ATOM 1100 O LYS A 66 -6.508 2.614 -8.811 1.00 24.34 O ATOM 1101 CB LYS A 66 -5.818 5.587 -8.245 1.00 54.54 C ATOM 1102 CG LYS A 66 -6.860 6.152 -9.193 1.00 40.12 C ATOM 1103 CD LYS A 66 -7.676 7.239 -8.511 1.00 2.11 C ATOM 1104 CE LYS A 66 -8.654 7.903 -9.469 1.00 13.05 C ATOM 1105 NZ LYS A 66 -7.956 8.686 -10.526 1.00 35.50 N ATOM 0 H LYS A 66 -4.191 5.848 -10.184 1.00 62.24 H new ATOM 0 HA LYS A 66 -4.434 3.985 -7.988 1.00 73.22 H new ATOM 0 HB2 LYS A 66 -6.322 5.226 -7.348 1.00 54.54 H new ATOM 0 HB3 LYS A 66 -5.155 6.395 -7.935 1.00 54.54 H new ATOM 0 HG2 LYS A 66 -6.371 6.559 -10.078 1.00 40.12 H new ATOM 0 HG3 LYS A 66 -7.520 5.354 -9.533 1.00 40.12 H new ATOM 0 HD2 LYS A 66 -8.225 6.809 -7.673 1.00 2.11 H new ATOM 0 HD3 LYS A 66 -7.004 7.992 -8.099 1.00 2.11 H new ATOM 0 HE2 LYS A 66 -9.278 7.141 -9.935 1.00 13.05 H new ATOM 0 HE3 LYS A 66 -9.319 8.561 -8.910 1.00 13.05 H new ATOM 0 HZ1 LYS A 66 -8.645 9.281 -11.029 1.00 35.50 H new ATOM 0 HZ2 LYS A 66 -7.231 9.290 -10.089 1.00 35.50 H new ATOM 0 HZ3 LYS A 66 -7.504 8.035 -11.199 1.00 35.50 H new ATOM 1119 N ARG A 67 -5.836 3.366 -10.815 1.00 4.25 N ATOM 1120 CA ARG A 67 -6.571 2.352 -11.567 1.00 3.23 C ATOM 1121 C ARG A 67 -5.884 1.000 -11.426 1.00 61.21 C ATOM 1122 O ARG A 67 -6.534 -0.031 -11.261 1.00 32.24 O ATOM 1123 CB ARG A 67 -6.660 2.736 -13.049 1.00 75.14 C ATOM 1124 CG ARG A 67 -7.477 3.991 -13.319 1.00 1.05 C ATOM 1125 CD ARG A 67 -8.975 3.712 -13.356 1.00 11.32 C ATOM 1126 NE ARG A 67 -9.448 3.006 -12.166 1.00 23.11 N ATOM 1127 CZ ARG A 67 -10.231 3.543 -11.234 1.00 41.01 C ATOM 1128 NH1 ARG A 67 -10.587 4.818 -11.307 1.00 61.12 N ATOM 1129 NH2 ARG A 67 -10.647 2.801 -10.217 1.00 50.21 N ATOM 0 H ARG A 67 -5.328 4.034 -11.394 1.00 4.25 H new ATOM 0 HA ARG A 67 -7.581 2.288 -11.162 1.00 3.23 H new ATOM 0 HB2 ARG A 67 -5.652 2.882 -13.436 1.00 75.14 H new ATOM 0 HB3 ARG A 67 -7.097 1.905 -13.603 1.00 75.14 H new ATOM 0 HG2 ARG A 67 -7.267 4.731 -12.547 1.00 1.05 H new ATOM 0 HG3 ARG A 67 -7.167 4.425 -14.270 1.00 1.05 H new ATOM 0 HD2 ARG A 67 -9.514 4.655 -13.452 1.00 11.32 H new ATOM 0 HD3 ARG A 67 -9.208 3.120 -14.241 1.00 11.32 H new ATOM 0 HE ARG A 67 -9.158 2.036 -12.042 1.00 23.11 H new ATOM 0 HH11 ARG A 67 -10.260 5.395 -12.082 1.00 61.12 H new ATOM 0 HH12 ARG A 67 -11.188 5.222 -10.588 1.00 61.12 H new ATOM 0 HH21 ARG A 67 -10.367 1.822 -10.151 1.00 50.21 H new ATOM 0 HH22 ARG A 67 -11.247 3.209 -9.500 1.00 50.21 H new ATOM 1143 N LEU A 68 -4.563 1.021 -11.485 1.00 14.02 N ATOM 1144 CA LEU A 68 -3.764 -0.190 -11.371 1.00 52.24 C ATOM 1145 C LEU A 68 -3.887 -0.780 -9.965 1.00 43.11 C ATOM 1146 O LEU A 68 -3.939 -1.998 -9.792 1.00 14.12 O ATOM 1147 CB LEU A 68 -2.296 0.137 -11.710 1.00 23.34 C ATOM 1148 CG LEU A 68 -1.349 -1.055 -11.940 1.00 2.22 C ATOM 1149 CD1 LEU A 68 -0.922 -1.691 -10.625 1.00 60.34 C ATOM 1150 CD2 LEU A 68 -2.001 -2.091 -12.846 1.00 62.31 C ATOM 0 H LEU A 68 -4.016 1.872 -11.613 1.00 14.02 H new ATOM 0 HA LEU A 68 -4.130 -0.937 -12.075 1.00 52.24 H new ATOM 0 HB2 LEU A 68 -2.285 0.756 -12.607 1.00 23.34 H new ATOM 0 HB3 LEU A 68 -1.888 0.742 -10.900 1.00 23.34 H new ATOM 0 HG LEU A 68 -0.454 -0.675 -12.431 1.00 2.22 H new ATOM 0 HD11 LEU A 68 -0.254 -2.529 -10.826 1.00 60.34 H new ATOM 0 HD12 LEU A 68 -0.403 -0.952 -10.015 1.00 60.34 H new ATOM 0 HD13 LEU A 68 -1.802 -2.049 -10.091 1.00 60.34 H new ATOM 0 HD21 LEU A 68 -1.316 -2.925 -12.996 1.00 62.31 H new ATOM 0 HD22 LEU A 68 -2.918 -2.454 -12.383 1.00 62.31 H new ATOM 0 HD23 LEU A 68 -2.236 -1.636 -13.808 1.00 62.31 H new ATOM 1162 N THR A 69 -3.966 0.089 -8.968 1.00 72.14 N ATOM 1163 CA THR A 69 -3.971 -0.347 -7.578 1.00 24.01 C ATOM 1164 C THR A 69 -5.374 -0.687 -7.070 1.00 21.52 C ATOM 1165 O THR A 69 -5.560 -1.674 -6.360 1.00 11.35 O ATOM 1166 CB THR A 69 -3.341 0.726 -6.673 1.00 22.40 C ATOM 1167 OG1 THR A 69 -3.776 2.028 -7.083 1.00 31.32 O ATOM 1168 CG2 THR A 69 -1.823 0.655 -6.721 1.00 41.02 C ATOM 0 H THR A 69 -4.027 1.099 -9.095 1.00 72.14 H new ATOM 0 HA THR A 69 -3.377 -1.260 -7.538 1.00 24.01 H new ATOM 0 HB THR A 69 -3.664 0.540 -5.649 1.00 22.40 H new ATOM 0 HG1 THR A 69 -3.220 2.340 -7.827 1.00 31.32 H new ATOM 0 HG21 THR A 69 -1.402 1.424 -6.073 1.00 41.02 H new ATOM 0 HG22 THR A 69 -1.494 -0.327 -6.381 1.00 41.02 H new ATOM 0 HG23 THR A 69 -1.483 0.817 -7.744 1.00 41.02 H new ATOM 1176 N ARG A 70 -6.362 0.112 -7.440 1.00 73.15 N ATOM 1177 CA ARG A 70 -7.705 -0.064 -6.902 1.00 1.12 C ATOM 1178 C ARG A 70 -8.369 -1.307 -7.484 1.00 4.25 C ATOM 1179 O ARG A 70 -9.087 -2.023 -6.781 1.00 21.43 O ATOM 1180 CB ARG A 70 -8.551 1.180 -7.167 1.00 64.42 C ATOM 1181 CG ARG A 70 -9.829 1.231 -6.352 1.00 52.43 C ATOM 1182 CD ARG A 70 -10.256 2.667 -6.100 1.00 4.11 C ATOM 1183 NE ARG A 70 -9.216 3.418 -5.390 1.00 61.13 N ATOM 1184 CZ ARG A 70 -9.430 4.552 -4.722 1.00 12.13 C ATOM 1185 NH1 ARG A 70 -10.647 5.078 -4.661 1.00 44.25 N ATOM 1186 NH2 ARG A 70 -8.416 5.157 -4.108 1.00 3.51 N ATOM 0 H ARG A 70 -6.264 0.881 -8.103 1.00 73.15 H new ATOM 0 HA ARG A 70 -7.626 -0.204 -5.824 1.00 1.12 H new ATOM 0 HB2 ARG A 70 -7.956 2.067 -6.949 1.00 64.42 H new ATOM 0 HB3 ARG A 70 -8.804 1.218 -8.227 1.00 64.42 H new ATOM 0 HG2 ARG A 70 -10.622 0.699 -6.878 1.00 52.43 H new ATOM 0 HG3 ARG A 70 -9.679 0.720 -5.401 1.00 52.43 H new ATOM 0 HD2 ARG A 70 -10.475 3.155 -7.050 1.00 4.11 H new ATOM 0 HD3 ARG A 70 -11.177 2.677 -5.517 1.00 4.11 H new ATOM 0 HE ARG A 70 -8.265 3.048 -5.408 1.00 61.13 H new ATOM 0 HH11 ARG A 70 -11.427 4.614 -5.127 1.00 44.25 H new ATOM 0 HH12 ARG A 70 -10.802 5.946 -4.148 1.00 44.25 H new ATOM 0 HH21 ARG A 70 -7.480 4.753 -4.150 1.00 3.51 H new ATOM 0 HH22 ARG A 70 -8.575 6.025 -3.596 1.00 3.51 H new ATOM 1200 N GLU A 71 -8.104 -1.575 -8.757 1.00 2.02 N ATOM 1201 CA GLU A 71 -8.674 -2.742 -9.420 1.00 12.12 C ATOM 1202 C GLU A 71 -7.962 -4.029 -9.008 1.00 12.01 C ATOM 1203 O GLU A 71 -8.479 -5.118 -9.232 1.00 61.30 O ATOM 1204 CB GLU A 71 -8.625 -2.591 -10.944 1.00 21.52 C ATOM 1205 CG GLU A 71 -9.805 -1.826 -11.532 1.00 61.22 C ATOM 1206 CD GLU A 71 -9.729 -0.328 -11.310 1.00 13.03 C ATOM 1207 OE1 GLU A 71 -10.113 0.144 -10.219 1.00 44.23 O ATOM 1208 OE2 GLU A 71 -9.323 0.390 -12.248 1.00 71.30 O ATOM 0 H GLU A 71 -7.501 -1.003 -9.349 1.00 2.02 H new ATOM 0 HA GLU A 71 -9.715 -2.808 -9.104 1.00 12.12 H new ATOM 0 HB2 GLU A 71 -7.702 -2.080 -11.218 1.00 21.52 H new ATOM 0 HB3 GLU A 71 -8.587 -3.582 -11.396 1.00 21.52 H new ATOM 0 HG2 GLU A 71 -9.858 -2.024 -12.603 1.00 61.22 H new ATOM 0 HG3 GLU A 71 -10.728 -2.204 -11.092 1.00 61.22 H new ATOM 1215 N SER A 72 -6.786 -3.910 -8.407 1.00 63.42 N ATOM 1216 CA SER A 72 -6.030 -5.088 -8.011 1.00 21.34 C ATOM 1217 C SER A 72 -6.293 -5.452 -6.549 1.00 52.22 C ATOM 1218 O SER A 72 -6.512 -6.621 -6.226 1.00 20.55 O ATOM 1219 CB SER A 72 -4.537 -4.871 -8.254 1.00 43.13 C ATOM 1220 OG SER A 72 -4.099 -3.646 -7.701 1.00 1.44 O ATOM 0 H SER A 72 -6.340 -3.020 -8.185 1.00 63.42 H new ATOM 0 HA SER A 72 -6.364 -5.924 -8.625 1.00 21.34 H new ATOM 0 HB2 SER A 72 -3.972 -5.693 -7.815 1.00 43.13 H new ATOM 0 HB3 SER A 72 -4.335 -4.882 -9.325 1.00 43.13 H new ATOM 0 HG SER A 72 -4.225 -2.928 -8.356 1.00 1.44 H new ATOM 1226 N PHE A 73 -6.273 -4.451 -5.671 1.00 5.24 N ATOM 1227 CA PHE A 73 -6.554 -4.671 -4.253 1.00 60.12 C ATOM 1228 C PHE A 73 -7.950 -5.246 -4.051 1.00 25.51 C ATOM 1229 O PHE A 73 -8.126 -6.252 -3.362 1.00 2.52 O ATOM 1230 CB PHE A 73 -6.407 -3.371 -3.458 1.00 1.24 C ATOM 1231 CG PHE A 73 -5.002 -3.098 -3.002 1.00 1.14 C ATOM 1232 CD1 PHE A 73 -4.074 -2.529 -3.857 1.00 41.43 C ATOM 1233 CD2 PHE A 73 -4.617 -3.412 -1.709 1.00 72.31 C ATOM 1234 CE1 PHE A 73 -2.785 -2.276 -3.430 1.00 5.52 C ATOM 1235 CE2 PHE A 73 -3.330 -3.162 -1.277 1.00 60.23 C ATOM 1236 CZ PHE A 73 -2.412 -2.593 -2.139 1.00 63.23 C ATOM 0 H PHE A 73 -6.066 -3.483 -5.915 1.00 5.24 H new ATOM 0 HA PHE A 73 -5.825 -5.393 -3.884 1.00 60.12 H new ATOM 0 HB2 PHE A 73 -6.748 -2.539 -4.073 1.00 1.24 H new ATOM 0 HB3 PHE A 73 -7.061 -3.412 -2.587 1.00 1.24 H new ATOM 0 HD1 PHE A 73 -4.361 -2.280 -4.868 1.00 41.43 H new ATOM 0 HD2 PHE A 73 -5.331 -3.857 -1.032 1.00 72.31 H new ATOM 0 HE1 PHE A 73 -2.070 -1.831 -4.105 1.00 5.52 H new ATOM 0 HE2 PHE A 73 -3.041 -3.411 -0.267 1.00 60.23 H new ATOM 0 HZ PHE A 73 -1.404 -2.397 -1.803 1.00 63.23 H new ATOM 1246 N ARG A 74 -8.941 -4.629 -4.680 1.00 14.45 N ATOM 1247 CA ARG A 74 -10.327 -5.047 -4.506 1.00 42.21 C ATOM 1248 C ARG A 74 -10.703 -6.159 -5.482 1.00 62.24 C ATOM 1249 O ARG A 74 -11.877 -6.354 -5.800 1.00 44.02 O ATOM 1250 CB ARG A 74 -11.272 -3.854 -4.653 1.00 51.31 C ATOM 1251 CG ARG A 74 -11.082 -2.807 -3.567 1.00 54.24 C ATOM 1252 CD ARG A 74 -12.170 -1.748 -3.603 1.00 42.11 C ATOM 1253 NE ARG A 74 -13.505 -2.327 -3.446 1.00 72.05 N ATOM 1254 CZ ARG A 74 -14.246 -2.217 -2.342 1.00 4.03 C ATOM 1255 NH1 ARG A 74 -13.773 -1.591 -1.272 1.00 62.44 N ATOM 1256 NH2 ARG A 74 -15.462 -2.747 -2.310 1.00 20.13 N ATOM 0 H ARG A 74 -8.813 -3.840 -5.313 1.00 14.45 H new ATOM 0 HA ARG A 74 -10.429 -5.447 -3.497 1.00 42.21 H new ATOM 0 HB2 ARG A 74 -11.115 -3.391 -5.627 1.00 51.31 H new ATOM 0 HB3 ARG A 74 -12.302 -4.209 -4.631 1.00 51.31 H new ATOM 0 HG2 ARG A 74 -11.081 -3.293 -2.591 1.00 54.24 H new ATOM 0 HG3 ARG A 74 -10.109 -2.331 -3.688 1.00 54.24 H new ATOM 0 HD2 ARG A 74 -11.995 -1.021 -2.810 1.00 42.11 H new ATOM 0 HD3 ARG A 74 -12.118 -1.207 -4.548 1.00 42.11 H new ATOM 0 HE ARG A 74 -13.894 -2.848 -4.232 1.00 72.05 H new ATOM 0 HH11 ARG A 74 -12.836 -1.189 -1.289 1.00 62.44 H new ATOM 0 HH12 ARG A 74 -14.347 -1.512 -0.432 1.00 62.44 H new ATOM 0 HH21 ARG A 74 -15.827 -3.236 -3.127 1.00 20.13 H new ATOM 0 HH22 ARG A 74 -16.032 -2.665 -1.468 1.00 20.13 H new ATOM 1270 N LEU A 75 -9.699 -6.889 -5.947 1.00 65.13 N ATOM 1271 CA LEU A 75 -9.918 -8.082 -6.752 1.00 14.25 C ATOM 1272 C LEU A 75 -9.247 -9.280 -6.082 1.00 55.44 C ATOM 1273 O LEU A 75 -9.541 -10.437 -6.386 1.00 71.21 O ATOM 1274 CB LEU A 75 -9.371 -7.862 -8.171 1.00 2.33 C ATOM 1275 CG LEU A 75 -9.659 -8.973 -9.190 1.00 4.01 C ATOM 1276 CD1 LEU A 75 -9.882 -8.375 -10.570 1.00 13.25 C ATOM 1277 CD2 LEU A 75 -8.512 -9.973 -9.240 1.00 32.40 C ATOM 0 H LEU A 75 -8.716 -6.673 -5.778 1.00 65.13 H new ATOM 0 HA LEU A 75 -10.986 -8.284 -6.829 1.00 14.25 H new ATOM 0 HB2 LEU A 75 -9.783 -6.929 -8.556 1.00 2.33 H new ATOM 0 HB3 LEU A 75 -8.291 -7.730 -8.105 1.00 2.33 H new ATOM 0 HG LEU A 75 -10.562 -9.496 -8.876 1.00 4.01 H new ATOM 0 HD11 LEU A 75 -10.085 -9.173 -11.284 1.00 13.25 H new ATOM 0 HD12 LEU A 75 -10.731 -7.692 -10.538 1.00 13.25 H new ATOM 0 HD13 LEU A 75 -8.990 -7.830 -10.879 1.00 13.25 H new ATOM 0 HD21 LEU A 75 -8.739 -10.751 -9.969 1.00 32.40 H new ATOM 0 HD22 LEU A 75 -7.595 -9.460 -9.530 1.00 32.40 H new ATOM 0 HD23 LEU A 75 -8.380 -10.425 -8.257 1.00 32.40 H new ATOM 1289 N ARG A 76 -8.365 -8.988 -5.137 1.00 70.34 N ATOM 1290 CA ARG A 76 -7.583 -10.012 -4.464 1.00 72.04 C ATOM 1291 C ARG A 76 -7.890 -10.000 -2.963 1.00 31.41 C ATOM 1292 O ARG A 76 -7.085 -10.432 -2.139 1.00 11.41 O ATOM 1293 CB ARG A 76 -6.093 -9.750 -4.738 1.00 64.34 C ATOM 1294 CG ARG A 76 -5.146 -10.854 -4.283 1.00 3.43 C ATOM 1295 CD ARG A 76 -5.597 -12.224 -4.761 1.00 13.23 C ATOM 1296 NE ARG A 76 -5.824 -12.282 -6.208 1.00 51.44 N ATOM 1297 CZ ARG A 76 -6.669 -13.142 -6.781 1.00 42.44 C ATOM 1298 NH1 ARG A 76 -7.364 -13.991 -6.032 1.00 41.51 N ATOM 1299 NH2 ARG A 76 -6.817 -13.163 -8.100 1.00 14.52 N ATOM 0 H ARG A 76 -8.173 -8.039 -4.817 1.00 70.34 H new ATOM 0 HA ARG A 76 -7.841 -11.001 -4.843 1.00 72.04 H new ATOM 0 HB2 ARG A 76 -5.958 -9.596 -5.809 1.00 64.34 H new ATOM 0 HB3 ARG A 76 -5.807 -8.821 -4.244 1.00 64.34 H new ATOM 0 HG2 ARG A 76 -4.144 -10.650 -4.660 1.00 3.43 H new ATOM 0 HG3 ARG A 76 -5.083 -10.852 -3.195 1.00 3.43 H new ATOM 0 HD2 ARG A 76 -4.845 -12.964 -4.487 1.00 13.23 H new ATOM 0 HD3 ARG A 76 -6.516 -12.498 -4.244 1.00 13.23 H new ATOM 0 HE ARG A 76 -5.311 -11.634 -6.806 1.00 51.44 H new ATOM 0 HH11 ARG A 76 -7.252 -13.986 -5.018 1.00 41.51 H new ATOM 0 HH12 ARG A 76 -8.009 -14.648 -6.471 1.00 41.51 H new ATOM 0 HH21 ARG A 76 -6.283 -12.519 -8.683 1.00 14.52 H new ATOM 0 HH22 ARG A 76 -7.465 -13.823 -8.530 1.00 14.52 H new ATOM 1313 N GLN A 77 -9.095 -9.549 -2.623 1.00 70.34 N ATOM 1314 CA GLN A 77 -9.494 -9.374 -1.223 1.00 22.11 C ATOM 1315 C GLN A 77 -9.833 -10.711 -0.550 1.00 23.52 C ATOM 1316 O GLN A 77 -10.354 -10.742 0.565 1.00 52.15 O ATOM 1317 CB GLN A 77 -10.689 -8.409 -1.116 1.00 3.23 C ATOM 1318 CG GLN A 77 -12.031 -8.974 -1.584 1.00 63.33 C ATOM 1319 CD GLN A 77 -12.076 -9.311 -3.065 1.00 52.43 C ATOM 1320 OE1 GLN A 77 -12.365 -8.455 -3.895 1.00 41.11 O ATOM 1321 NE2 GLN A 77 -11.831 -10.568 -3.402 1.00 72.31 N ATOM 0 H GLN A 77 -9.817 -9.296 -3.298 1.00 70.34 H new ATOM 0 HA GLN A 77 -8.641 -8.946 -0.697 1.00 22.11 H new ATOM 0 HB2 GLN A 77 -10.789 -8.094 -0.077 1.00 3.23 H new ATOM 0 HB3 GLN A 77 -10.467 -7.516 -1.700 1.00 3.23 H new ATOM 0 HG2 GLN A 77 -12.255 -9.873 -1.010 1.00 63.33 H new ATOM 0 HG3 GLN A 77 -12.816 -8.251 -1.362 1.00 63.33 H new ATOM 0 HE21 GLN A 77 -11.594 -11.252 -2.683 1.00 72.31 H new ATOM 0 HE22 GLN A 77 -11.880 -10.852 -4.380 1.00 72.31 H new ATOM 1330 N HIS A 78 -9.541 -11.812 -1.228 1.00 22.52 N ATOM 1331 CA HIS A 78 -9.750 -13.135 -0.656 1.00 14.41 C ATOM 1332 C HIS A 78 -8.452 -13.639 -0.028 1.00 2.32 C ATOM 1333 O HIS A 78 -8.437 -14.083 1.120 1.00 63.15 O ATOM 1334 CB HIS A 78 -10.244 -14.118 -1.726 1.00 74.52 C ATOM 1335 CG HIS A 78 -10.480 -15.507 -1.210 1.00 0.55 C ATOM 1336 ND1 HIS A 78 -9.677 -16.577 -1.532 1.00 21.32 N ATOM 1337 CD2 HIS A 78 -11.436 -15.995 -0.385 1.00 42.42 C ATOM 1338 CE1 HIS A 78 -10.124 -17.658 -0.928 1.00 23.20 C ATOM 1339 NE2 HIS A 78 -11.191 -17.334 -0.226 1.00 74.23 N ATOM 0 H HIS A 78 -9.159 -11.816 -2.174 1.00 22.52 H new ATOM 0 HA HIS A 78 -10.515 -13.064 0.117 1.00 14.41 H new ATOM 0 HB2 HIS A 78 -11.171 -13.738 -2.155 1.00 74.52 H new ATOM 0 HB3 HIS A 78 -9.513 -14.160 -2.533 1.00 74.52 H new ATOM 0 HD1 HIS A 78 -8.862 -16.539 -2.144 1.00 21.32 H new ATOM 0 HD2 HIS A 78 -12.242 -15.434 0.064 1.00 42.42 H new ATOM 0 HE1 HIS A 78 -9.689 -18.644 -0.996 1.00 23.20 H new ATOM 1348 N GLU A 79 -7.367 -13.552 -0.790 1.00 23.52 N ATOM 1349 CA GLU A 79 -6.047 -13.970 -0.324 1.00 2.31 C ATOM 1350 C GLU A 79 -5.379 -12.848 0.470 1.00 12.22 C ATOM 1351 O GLU A 79 -4.233 -12.973 0.910 1.00 0.24 O ATOM 1352 CB GLU A 79 -5.153 -14.363 -1.509 1.00 13.25 C ATOM 1353 CG GLU A 79 -5.598 -15.615 -2.262 1.00 5.45 C ATOM 1354 CD GLU A 79 -6.918 -15.453 -2.997 1.00 73.13 C ATOM 1355 OE1 GLU A 79 -7.242 -14.323 -3.417 1.00 53.23 O ATOM 1356 OE2 GLU A 79 -7.642 -16.460 -3.151 1.00 22.00 O ATOM 0 H GLU A 79 -7.376 -13.192 -1.744 1.00 23.52 H new ATOM 0 HA GLU A 79 -6.178 -14.837 0.324 1.00 2.31 H new ATOM 0 HB2 GLU A 79 -5.116 -13.529 -2.210 1.00 13.25 H new ATOM 0 HB3 GLU A 79 -4.138 -14.518 -1.144 1.00 13.25 H new ATOM 0 HG2 GLU A 79 -4.825 -15.890 -2.980 1.00 5.45 H new ATOM 0 HG3 GLU A 79 -5.685 -16.441 -1.556 1.00 5.45 H new ATOM 1363 N LEU A 80 -6.100 -11.751 0.634 1.00 35.34 N ATOM 1364 CA LEU A 80 -5.605 -10.608 1.378 1.00 1.34 C ATOM 1365 C LEU A 80 -6.481 -10.365 2.602 1.00 51.02 C ATOM 1366 O LEU A 80 -7.695 -10.204 2.477 1.00 12.14 O ATOM 1367 CB LEU A 80 -5.590 -9.362 0.486 1.00 42.35 C ATOM 1368 CG LEU A 80 -5.028 -8.094 1.131 1.00 21.23 C ATOM 1369 CD1 LEU A 80 -3.549 -8.263 1.442 1.00 21.01 C ATOM 1370 CD2 LEU A 80 -5.254 -6.892 0.227 1.00 30.24 C ATOM 0 H LEU A 80 -7.040 -11.629 0.257 1.00 35.34 H new ATOM 0 HA LEU A 80 -4.587 -10.816 1.706 1.00 1.34 H new ATOM 0 HB2 LEU A 80 -5.006 -9.583 -0.407 1.00 42.35 H new ATOM 0 HB3 LEU A 80 -6.610 -9.160 0.158 1.00 42.35 H new ATOM 0 HG LEU A 80 -5.556 -7.921 2.069 1.00 21.23 H new ATOM 0 HD11 LEU A 80 -3.167 -7.351 1.900 1.00 21.01 H new ATOM 0 HD12 LEU A 80 -3.415 -9.098 2.129 1.00 21.01 H new ATOM 0 HD13 LEU A 80 -3.004 -8.461 0.519 1.00 21.01 H new ATOM 0 HD21 LEU A 80 -4.848 -5.999 0.701 1.00 30.24 H new ATOM 0 HD22 LEU A 80 -4.754 -7.055 -0.727 1.00 30.24 H new ATOM 0 HD23 LEU A 80 -6.323 -6.759 0.058 1.00 30.24 H new ATOM 1382 N PRO A 81 -5.879 -10.387 3.801 1.00 24.32 N ATOM 1383 CA PRO A 81 -6.580 -10.083 5.054 1.00 35.33 C ATOM 1384 C PRO A 81 -7.038 -8.626 5.122 1.00 53.54 C ATOM 1385 O PRO A 81 -6.621 -7.786 4.318 1.00 23.22 O ATOM 1386 CB PRO A 81 -5.534 -10.374 6.141 1.00 54.54 C ATOM 1387 CG PRO A 81 -4.481 -11.184 5.467 1.00 1.15 C ATOM 1388 CD PRO A 81 -4.473 -10.734 4.037 1.00 65.45 C ATOM 0 HA PRO A 81 -7.490 -10.673 5.162 1.00 35.33 H new ATOM 0 HB2 PRO A 81 -5.121 -9.450 6.546 1.00 54.54 H new ATOM 0 HB3 PRO A 81 -5.975 -10.919 6.976 1.00 54.54 H new ATOM 0 HG2 PRO A 81 -3.508 -11.026 5.932 1.00 1.15 H new ATOM 0 HG3 PRO A 81 -4.700 -12.249 5.541 1.00 1.15 H new ATOM 0 HD2 PRO A 81 -3.814 -9.879 3.885 1.00 65.45 H new ATOM 0 HD3 PRO A 81 -4.132 -11.523 3.366 1.00 65.45 H new ATOM 1396 N ALA A 82 -7.881 -8.325 6.097 1.00 0.02 N ATOM 1397 CA ALA A 82 -8.496 -7.011 6.199 1.00 74.24 C ATOM 1398 C ALA A 82 -7.668 -6.053 7.052 1.00 72.14 C ATOM 1399 O ALA A 82 -7.742 -6.078 8.282 1.00 63.53 O ATOM 1400 CB ALA A 82 -9.899 -7.139 6.766 1.00 71.11 C ATOM 0 H ALA A 82 -8.156 -8.976 6.832 1.00 0.02 H new ATOM 0 HA ALA A 82 -8.544 -6.591 5.194 1.00 74.24 H new ATOM 0 HB1 ALA A 82 -10.353 -6.151 6.840 1.00 71.11 H new ATOM 0 HB2 ALA A 82 -10.501 -7.767 6.109 1.00 71.11 H new ATOM 0 HB3 ALA A 82 -9.851 -7.591 7.757 1.00 71.11 H new ATOM 1406 N MET A 83 -6.876 -5.218 6.392 1.00 65.02 N ATOM 1407 CA MET A 83 -6.093 -4.197 7.079 1.00 41.22 C ATOM 1408 C MET A 83 -6.227 -2.852 6.368 1.00 72.13 C ATOM 1409 O MET A 83 -7.003 -2.714 5.419 1.00 33.11 O ATOM 1410 CB MET A 83 -4.610 -4.585 7.166 1.00 1.11 C ATOM 1411 CG MET A 83 -4.306 -5.709 8.147 1.00 5.13 C ATOM 1412 SD MET A 83 -4.592 -7.352 7.461 1.00 5.22 S ATOM 1413 CE MET A 83 -3.366 -7.393 6.156 1.00 52.33 C ATOM 0 H MET A 83 -6.758 -5.227 5.379 1.00 65.02 H new ATOM 0 HA MET A 83 -6.486 -4.114 8.092 1.00 41.22 H new ATOM 0 HB2 MET A 83 -4.267 -4.883 6.175 1.00 1.11 H new ATOM 0 HB3 MET A 83 -4.034 -3.705 7.452 1.00 1.11 H new ATOM 0 HG2 MET A 83 -3.267 -5.632 8.466 1.00 5.13 H new ATOM 0 HG3 MET A 83 -4.923 -5.582 9.037 1.00 5.13 H new ATOM 0 HE1 MET A 83 -3.863 -7.517 5.194 1.00 52.33 H new ATOM 0 HE2 MET A 83 -2.803 -6.460 6.156 1.00 52.33 H new ATOM 0 HE3 MET A 83 -2.685 -8.227 6.323 1.00 52.33 H new ATOM 1423 N ASP A 84 -5.460 -1.874 6.831 1.00 51.44 N ATOM 1424 CA ASP A 84 -5.475 -0.537 6.249 1.00 22.45 C ATOM 1425 C ASP A 84 -4.231 -0.358 5.390 1.00 50.11 C ATOM 1426 O ASP A 84 -3.106 -0.450 5.895 1.00 74.51 O ATOM 1427 CB ASP A 84 -5.499 0.518 7.360 1.00 70.35 C ATOM 1428 CG ASP A 84 -6.184 1.806 6.946 1.00 63.33 C ATOM 1429 OD1 ASP A 84 -5.796 2.402 5.926 1.00 43.45 O ATOM 1430 OD2 ASP A 84 -7.134 2.220 7.649 1.00 32.21 O ATOM 0 H ASP A 84 -4.815 -1.982 7.614 1.00 51.44 H new ATOM 0 HA ASP A 84 -6.367 -0.415 5.634 1.00 22.45 H new ATOM 0 HB2 ASP A 84 -6.009 0.107 8.232 1.00 70.35 H new ATOM 0 HB3 ASP A 84 -4.476 0.740 7.664 1.00 70.35 H new ATOM 1435 N PHE A 85 -4.417 -0.135 4.098 1.00 2.12 N ATOM 1436 CA PHE A 85 -3.292 -0.060 3.179 1.00 31.04 C ATOM 1437 C PHE A 85 -3.194 1.316 2.535 1.00 53.24 C ATOM 1438 O PHE A 85 -4.021 1.686 1.697 1.00 0.41 O ATOM 1439 CB PHE A 85 -3.416 -1.129 2.084 1.00 33.14 C ATOM 1440 CG PHE A 85 -3.665 -2.518 2.599 1.00 71.11 C ATOM 1441 CD1 PHE A 85 -2.637 -3.261 3.157 1.00 43.41 C ATOM 1442 CD2 PHE A 85 -4.927 -3.083 2.521 1.00 15.14 C ATOM 1443 CE1 PHE A 85 -2.864 -4.542 3.623 1.00 42.22 C ATOM 1444 CE2 PHE A 85 -5.161 -4.363 2.985 1.00 41.23 C ATOM 1445 CZ PHE A 85 -4.128 -5.092 3.539 1.00 72.23 C ATOM 0 H PHE A 85 -5.331 -0.003 3.664 1.00 2.12 H new ATOM 0 HA PHE A 85 -2.386 -0.239 3.758 1.00 31.04 H new ATOM 0 HB2 PHE A 85 -4.229 -0.852 1.413 1.00 33.14 H new ATOM 0 HB3 PHE A 85 -2.501 -1.133 1.491 1.00 33.14 H new ATOM 0 HD1 PHE A 85 -1.647 -2.834 3.228 1.00 43.41 H new ATOM 0 HD2 PHE A 85 -5.739 -2.515 2.092 1.00 15.14 H new ATOM 0 HE1 PHE A 85 -2.054 -5.112 4.052 1.00 42.22 H new ATOM 0 HE2 PHE A 85 -6.150 -4.792 2.914 1.00 41.23 H new ATOM 0 HZ PHE A 85 -4.308 -6.091 3.906 1.00 72.23 H new ATOM 1455 N VAL A 86 -2.181 2.070 2.930 1.00 35.20 N ATOM 1456 CA VAL A 86 -1.898 3.346 2.301 1.00 32.04 C ATOM 1457 C VAL A 86 -0.829 3.163 1.225 1.00 0.22 C ATOM 1458 O VAL A 86 0.310 2.772 1.502 1.00 4.23 O ATOM 1459 CB VAL A 86 -1.475 4.431 3.328 1.00 64.04 C ATOM 1460 CG1 VAL A 86 -0.314 3.964 4.187 1.00 41.05 C ATOM 1461 CG2 VAL A 86 -1.129 5.737 2.627 1.00 22.12 C ATOM 0 H VAL A 86 -1.542 1.819 3.684 1.00 35.20 H new ATOM 0 HA VAL A 86 -2.818 3.702 1.838 1.00 32.04 H new ATOM 0 HB VAL A 86 -2.326 4.607 3.986 1.00 64.04 H new ATOM 0 HG11 VAL A 86 -0.045 4.749 4.894 1.00 41.05 H new ATOM 0 HG12 VAL A 86 -0.604 3.067 4.734 1.00 41.05 H new ATOM 0 HG13 VAL A 86 0.542 3.740 3.551 1.00 41.05 H new ATOM 0 HG21 VAL A 86 -0.836 6.481 3.368 1.00 22.12 H new ATOM 0 HG22 VAL A 86 -0.304 5.571 1.934 1.00 22.12 H new ATOM 0 HG23 VAL A 86 -1.999 6.096 2.077 1.00 22.12 H new ATOM 1471 N VAL A 87 -1.219 3.410 -0.012 1.00 12.22 N ATOM 1472 CA VAL A 87 -0.342 3.202 -1.146 1.00 65.32 C ATOM 1473 C VAL A 87 0.299 4.516 -1.566 1.00 62.44 C ATOM 1474 O VAL A 87 -0.392 5.476 -1.918 1.00 62.54 O ATOM 1475 CB VAL A 87 -1.107 2.596 -2.343 1.00 53.24 C ATOM 1476 CG1 VAL A 87 -0.157 2.297 -3.493 1.00 33.02 C ATOM 1477 CG2 VAL A 87 -1.852 1.337 -1.918 1.00 12.12 C ATOM 0 H VAL A 87 -2.146 3.758 -0.256 1.00 12.22 H new ATOM 0 HA VAL A 87 0.433 2.500 -0.840 1.00 65.32 H new ATOM 0 HB VAL A 87 -1.838 3.327 -2.689 1.00 53.24 H new ATOM 0 HG11 VAL A 87 -0.717 1.871 -4.326 1.00 33.02 H new ATOM 0 HG12 VAL A 87 0.326 3.219 -3.815 1.00 33.02 H new ATOM 0 HG13 VAL A 87 0.601 1.586 -3.163 1.00 33.02 H new ATOM 0 HG21 VAL A 87 -2.385 0.923 -2.774 1.00 12.12 H new ATOM 0 HG22 VAL A 87 -1.140 0.601 -1.544 1.00 12.12 H new ATOM 0 HG23 VAL A 87 -2.565 1.584 -1.131 1.00 12.12 H new ATOM 1487 N VAL A 88 1.619 4.559 -1.508 1.00 32.20 N ATOM 1488 CA VAL A 88 2.360 5.742 -1.898 1.00 73.31 C ATOM 1489 C VAL A 88 3.190 5.457 -3.140 1.00 12.24 C ATOM 1490 O VAL A 88 4.219 4.776 -3.076 1.00 30.03 O ATOM 1491 CB VAL A 88 3.288 6.239 -0.769 1.00 50.12 C ATOM 1492 CG1 VAL A 88 3.989 7.525 -1.180 1.00 23.50 C ATOM 1493 CG2 VAL A 88 2.509 6.445 0.522 1.00 34.54 C ATOM 0 H VAL A 88 2.201 3.783 -1.192 1.00 32.20 H new ATOM 0 HA VAL A 88 1.631 6.524 -2.109 1.00 73.31 H new ATOM 0 HB VAL A 88 4.045 5.475 -0.591 1.00 50.12 H new ATOM 0 HG11 VAL A 88 4.639 7.860 -0.371 1.00 23.50 H new ATOM 0 HG12 VAL A 88 4.586 7.344 -2.074 1.00 23.50 H new ATOM 0 HG13 VAL A 88 3.245 8.294 -1.390 1.00 23.50 H new ATOM 0 HG21 VAL A 88 3.184 6.795 1.303 1.00 34.54 H new ATOM 0 HG22 VAL A 88 1.726 7.186 0.360 1.00 34.54 H new ATOM 0 HG23 VAL A 88 2.058 5.502 0.829 1.00 34.54 H new ATOM 1503 N ALA A 89 2.724 5.950 -4.276 1.00 42.35 N ATOM 1504 CA ALA A 89 3.463 5.816 -5.518 1.00 34.30 C ATOM 1505 C ALA A 89 4.645 6.772 -5.509 1.00 32.44 C ATOM 1506 O ALA A 89 4.499 7.941 -5.156 1.00 61.33 O ATOM 1507 CB ALA A 89 2.560 6.086 -6.711 1.00 30.41 C ATOM 0 H ALA A 89 1.837 6.446 -4.362 1.00 42.35 H new ATOM 0 HA ALA A 89 3.833 4.794 -5.605 1.00 34.30 H new ATOM 0 HB1 ALA A 89 3.133 5.981 -7.632 1.00 30.41 H new ATOM 0 HB2 ALA A 89 1.736 5.373 -6.712 1.00 30.41 H new ATOM 0 HB3 ALA A 89 2.163 7.099 -6.645 1.00 30.41 H new ATOM 1513 N LYS A 90 5.812 6.277 -5.876 1.00 64.11 N ATOM 1514 CA LYS A 90 7.022 7.077 -5.815 1.00 4.24 C ATOM 1515 C LYS A 90 7.302 7.736 -7.163 1.00 31.23 C ATOM 1516 O LYS A 90 6.478 7.678 -8.077 1.00 24.21 O ATOM 1517 CB LYS A 90 8.207 6.207 -5.383 1.00 1.34 C ATOM 1518 CG LYS A 90 8.029 5.519 -4.030 1.00 13.31 C ATOM 1519 CD LYS A 90 8.445 6.401 -2.852 1.00 24.40 C ATOM 1520 CE LYS A 90 7.491 7.564 -2.621 1.00 55.53 C ATOM 1521 NZ LYS A 90 7.869 8.372 -1.431 1.00 63.40 N ATOM 0 H LYS A 90 5.948 5.326 -6.219 1.00 64.11 H new ATOM 0 HA LYS A 90 6.880 7.866 -5.076 1.00 4.24 H new ATOM 0 HB2 LYS A 90 8.378 5.445 -6.144 1.00 1.34 H new ATOM 0 HB3 LYS A 90 9.102 6.828 -5.346 1.00 1.34 H new ATOM 0 HG2 LYS A 90 6.985 5.231 -3.910 1.00 13.31 H new ATOM 0 HG3 LYS A 90 8.617 4.601 -4.015 1.00 13.31 H new ATOM 0 HD2 LYS A 90 8.495 5.793 -1.949 1.00 24.40 H new ATOM 0 HD3 LYS A 90 9.448 6.789 -3.031 1.00 24.40 H new ATOM 0 HE2 LYS A 90 7.480 8.203 -3.504 1.00 55.53 H new ATOM 0 HE3 LYS A 90 6.479 7.181 -2.492 1.00 55.53 H new ATOM 0 HZ1 LYS A 90 7.192 9.153 -1.312 1.00 63.40 H new ATOM 0 HZ2 LYS A 90 7.855 7.769 -0.583 1.00 63.40 H new ATOM 0 HZ3 LYS A 90 8.825 8.760 -1.564 1.00 63.40 H new ATOM 1535 N LYS A 91 8.464 8.355 -7.279 1.00 31.04 N ATOM 1536 CA LYS A 91 8.806 9.128 -8.462 1.00 75.01 C ATOM 1537 C LYS A 91 9.276 8.218 -9.592 1.00 53.23 C ATOM 1538 O LYS A 91 10.123 7.345 -9.392 1.00 73.04 O ATOM 1539 CB LYS A 91 9.890 10.146 -8.106 1.00 14.35 C ATOM 1540 CG LYS A 91 10.244 11.107 -9.227 1.00 34.01 C ATOM 1541 CD LYS A 91 11.320 12.085 -8.785 1.00 34.33 C ATOM 1542 CE LYS A 91 10.873 12.896 -7.577 1.00 60.22 C ATOM 1543 NZ LYS A 91 11.953 13.776 -7.061 1.00 52.12 N ATOM 0 H LYS A 91 9.191 8.337 -6.564 1.00 31.04 H new ATOM 0 HA LYS A 91 7.917 9.654 -8.809 1.00 75.01 H new ATOM 0 HB2 LYS A 91 9.560 10.722 -7.241 1.00 14.35 H new ATOM 0 HB3 LYS A 91 10.790 9.609 -7.807 1.00 14.35 H new ATOM 0 HG2 LYS A 91 10.591 10.547 -10.095 1.00 34.01 H new ATOM 0 HG3 LYS A 91 9.354 11.655 -9.536 1.00 34.01 H new ATOM 0 HD2 LYS A 91 12.232 11.539 -8.541 1.00 34.33 H new ATOM 0 HD3 LYS A 91 11.562 12.758 -9.608 1.00 34.33 H new ATOM 0 HE2 LYS A 91 10.010 13.504 -7.849 1.00 60.22 H new ATOM 0 HE3 LYS A 91 10.550 12.219 -6.786 1.00 60.22 H new ATOM 0 HZ1 LYS A 91 11.604 14.309 -6.239 1.00 52.12 H new ATOM 0 HZ2 LYS A 91 12.768 13.195 -6.776 1.00 52.12 H new ATOM 0 HZ3 LYS A 91 12.245 14.441 -7.806 1.00 52.12 H new ATOM 1557 N GLY A 92 8.704 8.415 -10.774 1.00 63.45 N ATOM 1558 CA GLY A 92 9.131 7.661 -11.937 1.00 65.23 C ATOM 1559 C GLY A 92 8.180 6.538 -12.296 1.00 2.02 C ATOM 1560 O GLY A 92 8.291 5.944 -13.368 1.00 72.23 O ATOM 0 H GLY A 92 7.953 9.083 -10.948 1.00 63.45 H new ATOM 0 HA2 GLY A 92 9.224 8.337 -12.787 1.00 65.23 H new ATOM 0 HA3 GLY A 92 10.121 7.245 -11.750 1.00 65.23 H new ATOM 1564 N VAL A 93 7.224 6.259 -11.414 1.00 40.43 N ATOM 1565 CA VAL A 93 6.285 5.159 -11.620 1.00 52.20 C ATOM 1566 C VAL A 93 5.414 5.392 -12.861 1.00 60.22 C ATOM 1567 O VAL A 93 4.932 4.448 -13.480 1.00 25.23 O ATOM 1568 CB VAL A 93 5.389 4.948 -10.375 1.00 53.14 C ATOM 1569 CG1 VAL A 93 4.466 6.138 -10.155 1.00 11.10 C ATOM 1570 CG2 VAL A 93 4.593 3.654 -10.488 1.00 31.44 C ATOM 0 H VAL A 93 7.079 6.780 -10.549 1.00 40.43 H new ATOM 0 HA VAL A 93 6.876 4.257 -11.780 1.00 52.20 H new ATOM 0 HB VAL A 93 6.041 4.867 -9.505 1.00 53.14 H new ATOM 0 HG11 VAL A 93 3.849 5.962 -9.274 1.00 11.10 H new ATOM 0 HG12 VAL A 93 5.062 7.038 -10.006 1.00 11.10 H new ATOM 0 HG13 VAL A 93 3.825 6.267 -11.027 1.00 11.10 H new ATOM 0 HG21 VAL A 93 3.972 3.530 -9.601 1.00 31.44 H new ATOM 0 HG22 VAL A 93 3.958 3.694 -11.373 1.00 31.44 H new ATOM 0 HG23 VAL A 93 5.279 2.811 -10.571 1.00 31.44 H new ATOM 1580 N ALA A 94 5.257 6.653 -13.248 1.00 62.30 N ATOM 1581 CA ALA A 94 4.400 7.010 -14.372 1.00 71.00 C ATOM 1582 C ALA A 94 5.090 6.760 -15.712 1.00 53.43 C ATOM 1583 O ALA A 94 4.525 7.022 -16.774 1.00 12.24 O ATOM 1584 CB ALA A 94 3.975 8.464 -14.256 1.00 14.51 C ATOM 0 H ALA A 94 5.713 7.447 -12.798 1.00 62.30 H new ATOM 0 HA ALA A 94 3.517 6.372 -14.337 1.00 71.00 H new ATOM 0 HB1 ALA A 94 3.335 8.724 -15.099 1.00 14.51 H new ATOM 0 HB2 ALA A 94 3.427 8.610 -13.325 1.00 14.51 H new ATOM 0 HB3 ALA A 94 4.858 9.103 -14.260 1.00 14.51 H new ATOM 1590 N ASP A 95 6.306 6.238 -15.666 1.00 52.44 N ATOM 1591 CA ASP A 95 7.065 5.985 -16.885 1.00 61.32 C ATOM 1592 C ASP A 95 7.148 4.486 -17.160 1.00 50.11 C ATOM 1593 O ASP A 95 7.973 4.031 -17.950 1.00 51.31 O ATOM 1594 CB ASP A 95 8.468 6.583 -16.762 1.00 53.53 C ATOM 1595 CG ASP A 95 9.152 6.748 -18.106 1.00 13.23 C ATOM 1596 OD1 ASP A 95 8.671 7.566 -18.920 1.00 31.41 O ATOM 1597 OD2 ASP A 95 10.184 6.086 -18.347 1.00 40.55 O ATOM 0 H ASP A 95 6.788 5.982 -14.804 1.00 52.44 H new ATOM 0 HA ASP A 95 6.553 6.460 -17.722 1.00 61.32 H new ATOM 0 HB2 ASP A 95 8.403 7.553 -16.270 1.00 53.53 H new ATOM 0 HB3 ASP A 95 9.077 5.942 -16.125 1.00 53.53 H new ATOM 1602 N LEU A 96 6.275 3.724 -16.511 1.00 41.31 N ATOM 1603 CA LEU A 96 6.254 2.275 -16.678 1.00 53.43 C ATOM 1604 C LEU A 96 5.882 1.875 -18.106 1.00 70.24 C ATOM 1605 O LEU A 96 5.248 2.641 -18.838 1.00 20.01 O ATOM 1606 CB LEU A 96 5.301 1.624 -15.657 1.00 73.33 C ATOM 1607 CG LEU A 96 3.884 2.216 -15.559 1.00 73.40 C ATOM 1608 CD1 LEU A 96 3.018 1.801 -16.740 1.00 63.30 C ATOM 1609 CD2 LEU A 96 3.228 1.794 -14.252 1.00 72.21 C ATOM 0 H LEU A 96 5.573 4.085 -15.865 1.00 41.31 H new ATOM 0 HA LEU A 96 7.263 1.907 -16.491 1.00 53.43 H new ATOM 0 HB2 LEU A 96 5.211 0.566 -15.902 1.00 73.33 H new ATOM 0 HB3 LEU A 96 5.764 1.685 -14.672 1.00 73.33 H new ATOM 0 HG LEU A 96 3.976 3.302 -15.581 1.00 73.40 H new ATOM 0 HD11 LEU A 96 2.025 2.239 -16.635 1.00 63.30 H new ATOM 0 HD12 LEU A 96 3.473 2.152 -17.666 1.00 63.30 H new ATOM 0 HD13 LEU A 96 2.935 0.715 -16.766 1.00 63.30 H new ATOM 0 HD21 LEU A 96 2.226 2.219 -14.194 1.00 72.21 H new ATOM 0 HD22 LEU A 96 3.164 0.707 -14.212 1.00 72.21 H new ATOM 0 HD23 LEU A 96 3.824 2.154 -13.413 1.00 72.21 H new ATOM 1621 N ASP A 97 6.289 0.674 -18.491 1.00 14.22 N ATOM 1622 CA ASP A 97 5.998 0.141 -19.817 1.00 32.04 C ATOM 1623 C ASP A 97 4.576 -0.415 -19.859 1.00 51.22 C ATOM 1624 O ASP A 97 4.010 -0.756 -18.819 1.00 23.03 O ATOM 1625 CB ASP A 97 7.006 -0.962 -20.159 1.00 65.01 C ATOM 1626 CG ASP A 97 6.891 -1.457 -21.586 1.00 64.41 C ATOM 1627 OD1 ASP A 97 6.064 -2.357 -21.848 1.00 73.10 O ATOM 1628 OD2 ASP A 97 7.643 -0.958 -22.451 1.00 23.25 O ATOM 0 H ASP A 97 6.828 0.043 -17.897 1.00 14.22 H new ATOM 0 HA ASP A 97 6.080 0.942 -20.552 1.00 32.04 H new ATOM 0 HB2 ASP A 97 8.016 -0.586 -19.992 1.00 65.01 H new ATOM 0 HB3 ASP A 97 6.861 -1.801 -19.478 1.00 65.01 H new ATOM 1633 N ASN A 98 4.012 -0.513 -21.058 1.00 31.45 N ATOM 1634 CA ASN A 98 2.653 -1.025 -21.241 1.00 1.23 C ATOM 1635 C ASN A 98 2.542 -2.465 -20.742 1.00 55.43 C ATOM 1636 O ASN A 98 1.470 -2.918 -20.345 1.00 62.12 O ATOM 1637 CB ASN A 98 2.263 -0.944 -22.720 1.00 35.35 C ATOM 1638 CG ASN A 98 0.816 -1.327 -22.982 1.00 4.34 C ATOM 1639 OD1 ASN A 98 -0.087 -0.498 -22.864 1.00 64.10 O ATOM 1640 ND2 ASN A 98 0.588 -2.572 -23.364 1.00 30.32 N ATOM 0 H ASN A 98 4.477 -0.243 -21.925 1.00 31.45 H new ATOM 0 HA ASN A 98 1.969 -0.411 -20.656 1.00 1.23 H new ATOM 0 HB2 ASN A 98 2.433 0.071 -23.078 1.00 35.35 H new ATOM 0 HB3 ASN A 98 2.915 -1.600 -23.297 1.00 35.35 H new ATOM 0 HD21 ASN A 98 -0.363 -2.875 -23.573 1.00 30.32 H new ATOM 0 HD22 ASN A 98 1.363 -3.229 -23.450 1.00 30.32 H new ATOM 1647 N ARG A 99 3.659 -3.178 -20.757 1.00 11.51 N ATOM 1648 CA ARG A 99 3.700 -4.550 -20.276 1.00 44.12 C ATOM 1649 C ARG A 99 4.046 -4.590 -18.790 1.00 5.14 C ATOM 1650 O ARG A 99 3.570 -5.451 -18.047 1.00 35.54 O ATOM 1651 CB ARG A 99 4.740 -5.345 -21.066 1.00 52.30 C ATOM 1652 CG ARG A 99 4.840 -6.805 -20.660 1.00 2.45 C ATOM 1653 CD ARG A 99 6.010 -7.489 -21.349 1.00 71.04 C ATOM 1654 NE ARG A 99 5.930 -7.379 -22.806 1.00 4.14 N ATOM 1655 CZ ARG A 99 6.972 -7.528 -23.624 1.00 30.41 C ATOM 1656 NH1 ARG A 99 8.177 -7.791 -23.136 1.00 63.53 N ATOM 1657 NH2 ARG A 99 6.804 -7.413 -24.934 1.00 72.21 N ATOM 0 H ARG A 99 4.553 -2.826 -21.099 1.00 11.51 H new ATOM 0 HA ARG A 99 2.715 -4.995 -20.417 1.00 44.12 H new ATOM 0 HB2 ARG A 99 4.496 -5.289 -22.127 1.00 52.30 H new ATOM 0 HB3 ARG A 99 5.715 -4.875 -20.938 1.00 52.30 H new ATOM 0 HG2 ARG A 99 4.959 -6.877 -19.579 1.00 2.45 H new ATOM 0 HG3 ARG A 99 3.914 -7.320 -20.914 1.00 2.45 H new ATOM 0 HD2 ARG A 99 6.944 -7.046 -21.003 1.00 71.04 H new ATOM 0 HD3 ARG A 99 6.032 -8.541 -21.066 1.00 71.04 H new ATOM 0 HE ARG A 99 5.021 -7.176 -23.221 1.00 4.14 H new ATOM 0 HH11 ARG A 99 8.311 -7.881 -22.129 1.00 63.53 H new ATOM 0 HH12 ARG A 99 8.970 -7.904 -23.768 1.00 63.53 H new ATOM 0 HH21 ARG A 99 5.879 -7.211 -25.314 1.00 72.21 H new ATOM 0 HH22 ARG A 99 7.600 -7.527 -25.562 1.00 72.21 H new ATOM 1671 N ALA A 100 4.859 -3.631 -18.361 1.00 63.21 N ATOM 1672 CA ALA A 100 5.382 -3.600 -16.997 1.00 32.22 C ATOM 1673 C ALA A 100 4.272 -3.484 -15.957 1.00 51.24 C ATOM 1674 O ALA A 100 4.416 -3.974 -14.837 1.00 32.32 O ATOM 1675 CB ALA A 100 6.377 -2.461 -16.837 1.00 60.31 C ATOM 0 H ALA A 100 5.174 -2.856 -18.945 1.00 63.21 H new ATOM 0 HA ALA A 100 5.891 -4.548 -16.824 1.00 32.22 H new ATOM 0 HB1 ALA A 100 6.758 -2.451 -15.816 1.00 60.31 H new ATOM 0 HB2 ALA A 100 7.205 -2.601 -17.532 1.00 60.31 H new ATOM 0 HB3 ALA A 100 5.882 -1.513 -17.049 1.00 60.31 H new ATOM 1681 N LEU A 101 3.163 -2.849 -16.329 1.00 63.54 N ATOM 1682 CA LEU A 101 2.038 -2.686 -15.411 1.00 4.23 C ATOM 1683 C LEU A 101 1.424 -4.036 -15.031 1.00 70.54 C ATOM 1684 O LEU A 101 0.784 -4.160 -13.993 1.00 54.12 O ATOM 1685 CB LEU A 101 0.982 -1.741 -16.010 1.00 45.20 C ATOM 1686 CG LEU A 101 0.456 -2.098 -17.407 1.00 55.01 C ATOM 1687 CD1 LEU A 101 -0.629 -3.164 -17.341 1.00 31.23 C ATOM 1688 CD2 LEU A 101 -0.064 -0.854 -18.108 1.00 31.03 C ATOM 0 H LEU A 101 3.019 -2.441 -17.253 1.00 63.54 H new ATOM 0 HA LEU A 101 2.416 -2.234 -14.494 1.00 4.23 H new ATOM 0 HB2 LEU A 101 0.134 -1.700 -15.326 1.00 45.20 H new ATOM 0 HB3 LEU A 101 1.406 -0.738 -16.051 1.00 45.20 H new ATOM 0 HG LEU A 101 1.287 -2.508 -17.981 1.00 55.01 H new ATOM 0 HD11 LEU A 101 -0.977 -3.391 -18.348 1.00 31.23 H new ATOM 0 HD12 LEU A 101 -0.224 -4.067 -16.885 1.00 31.23 H new ATOM 0 HD13 LEU A 101 -1.463 -2.798 -16.743 1.00 31.23 H new ATOM 0 HD21 LEU A 101 -0.434 -1.122 -19.098 1.00 31.03 H new ATOM 0 HD22 LEU A 101 -0.874 -0.419 -17.523 1.00 31.03 H new ATOM 0 HD23 LEU A 101 0.743 -0.128 -18.207 1.00 31.03 H new ATOM 1700 N SER A 102 1.632 -5.043 -15.873 1.00 33.54 N ATOM 1701 CA SER A 102 1.148 -6.385 -15.594 1.00 15.31 C ATOM 1702 C SER A 102 2.246 -7.203 -14.917 1.00 43.42 C ATOM 1703 O SER A 102 1.987 -7.981 -13.996 1.00 43.21 O ATOM 1704 CB SER A 102 0.701 -7.062 -16.895 1.00 32.23 C ATOM 1705 OG SER A 102 0.167 -8.352 -16.649 1.00 30.42 O ATOM 0 H SER A 102 2.134 -4.952 -16.756 1.00 33.54 H new ATOM 0 HA SER A 102 0.292 -6.324 -14.922 1.00 15.31 H new ATOM 0 HB2 SER A 102 -0.049 -6.444 -17.390 1.00 32.23 H new ATOM 0 HB3 SER A 102 1.549 -7.141 -17.576 1.00 32.23 H new ATOM 0 HG SER A 102 -0.111 -8.758 -17.497 1.00 30.42 H new ATOM 1711 N GLU A 103 3.478 -6.988 -15.366 1.00 12.21 N ATOM 1712 CA GLU A 103 4.635 -7.702 -14.842 1.00 54.15 C ATOM 1713 C GLU A 103 4.843 -7.407 -13.360 1.00 60.44 C ATOM 1714 O GLU A 103 5.133 -8.304 -12.572 1.00 21.45 O ATOM 1715 CB GLU A 103 5.889 -7.311 -15.624 1.00 4.23 C ATOM 1716 CG GLU A 103 5.828 -7.670 -17.100 1.00 34.12 C ATOM 1717 CD GLU A 103 5.770 -9.165 -17.332 1.00 11.15 C ATOM 1718 OE1 GLU A 103 6.843 -9.796 -17.412 1.00 33.14 O ATOM 1719 OE2 GLU A 103 4.658 -9.716 -17.436 1.00 11.23 O ATOM 0 H GLU A 103 3.701 -6.316 -16.101 1.00 12.21 H new ATOM 0 HA GLU A 103 4.450 -8.770 -14.956 1.00 54.15 H new ATOM 0 HB2 GLU A 103 6.046 -6.237 -15.527 1.00 4.23 H new ATOM 0 HB3 GLU A 103 6.753 -7.801 -15.176 1.00 4.23 H new ATOM 0 HG2 GLU A 103 4.952 -7.202 -17.548 1.00 34.12 H new ATOM 0 HG3 GLU A 103 6.702 -7.261 -17.606 1.00 34.12 H new ATOM 1726 N ALA A 104 4.691 -6.142 -12.984 1.00 1.23 N ATOM 1727 CA ALA A 104 4.890 -5.729 -11.601 1.00 75.03 C ATOM 1728 C ALA A 104 3.648 -5.992 -10.758 1.00 44.40 C ATOM 1729 O ALA A 104 3.733 -6.115 -9.537 1.00 12.50 O ATOM 1730 CB ALA A 104 5.276 -4.258 -11.538 1.00 25.45 C ATOM 0 H ALA A 104 4.431 -5.386 -13.617 1.00 1.23 H new ATOM 0 HA ALA A 104 5.704 -6.324 -11.187 1.00 75.03 H new ATOM 0 HB1 ALA A 104 5.421 -3.964 -10.498 1.00 25.45 H new ATOM 0 HB2 ALA A 104 6.201 -4.101 -12.092 1.00 25.45 H new ATOM 0 HB3 ALA A 104 4.482 -3.654 -11.978 1.00 25.45 H new ATOM 1736 N LEU A 105 2.504 -6.104 -11.420 1.00 32.44 N ATOM 1737 CA LEU A 105 1.233 -6.294 -10.735 1.00 13.44 C ATOM 1738 C LEU A 105 1.192 -7.640 -10.018 1.00 73.40 C ATOM 1739 O LEU A 105 0.787 -7.727 -8.855 1.00 65.41 O ATOM 1740 CB LEU A 105 0.082 -6.190 -11.736 1.00 73.33 C ATOM 1741 CG LEU A 105 -1.321 -6.285 -11.136 1.00 72.13 C ATOM 1742 CD1 LEU A 105 -1.529 -5.205 -10.084 1.00 31.43 C ATOM 1743 CD2 LEU A 105 -2.373 -6.173 -12.230 1.00 2.51 C ATOM 0 H LEU A 105 2.431 -6.066 -12.437 1.00 32.44 H new ATOM 0 HA LEU A 105 1.126 -5.511 -9.985 1.00 13.44 H new ATOM 0 HB2 LEU A 105 0.168 -5.241 -12.266 1.00 73.33 H new ATOM 0 HB3 LEU A 105 0.196 -6.981 -12.478 1.00 73.33 H new ATOM 0 HG LEU A 105 -1.424 -7.257 -10.653 1.00 72.13 H new ATOM 0 HD11 LEU A 105 -2.533 -5.290 -9.669 1.00 31.43 H new ATOM 0 HD12 LEU A 105 -0.796 -5.327 -9.287 1.00 31.43 H new ATOM 0 HD13 LEU A 105 -1.407 -4.223 -10.541 1.00 31.43 H new ATOM 0 HD21 LEU A 105 -3.367 -6.242 -11.788 1.00 2.51 H new ATOM 0 HD22 LEU A 105 -2.268 -5.215 -12.739 1.00 2.51 H new ATOM 0 HD23 LEU A 105 -2.238 -6.982 -12.948 1.00 2.51 H new ATOM 1755 N GLU A 106 1.632 -8.686 -10.706 1.00 51.42 N ATOM 1756 CA GLU A 106 1.651 -10.023 -10.123 1.00 51.32 C ATOM 1757 C GLU A 106 2.667 -10.107 -8.990 1.00 51.05 C ATOM 1758 O GLU A 106 2.494 -10.874 -8.042 1.00 60.20 O ATOM 1759 CB GLU A 106 1.963 -11.069 -11.190 1.00 61.50 C ATOM 1760 CG GLU A 106 3.247 -10.804 -11.956 1.00 31.20 C ATOM 1761 CD GLU A 106 3.602 -11.932 -12.896 1.00 41.41 C ATOM 1762 OE1 GLU A 106 2.944 -12.066 -13.947 1.00 13.40 O ATOM 1763 OE2 GLU A 106 4.538 -12.699 -12.585 1.00 44.04 O ATOM 0 H GLU A 106 1.979 -8.636 -11.664 1.00 51.42 H new ATOM 0 HA GLU A 106 0.662 -10.226 -9.713 1.00 51.32 H new ATOM 0 HB2 GLU A 106 2.030 -12.048 -10.716 1.00 61.50 H new ATOM 0 HB3 GLU A 106 1.133 -11.113 -11.895 1.00 61.50 H new ATOM 0 HG2 GLU A 106 3.143 -9.880 -12.525 1.00 31.20 H new ATOM 0 HG3 GLU A 106 4.063 -10.653 -11.250 1.00 31.20 H new ATOM 1770 N LYS A 107 3.717 -9.301 -9.088 1.00 44.43 N ATOM 1771 CA LYS A 107 4.751 -9.261 -8.062 1.00 32.25 C ATOM 1772 C LYS A 107 4.179 -8.711 -6.763 1.00 2.43 C ATOM 1773 O LYS A 107 4.456 -9.230 -5.679 1.00 63.13 O ATOM 1774 CB LYS A 107 5.927 -8.395 -8.516 1.00 43.01 C ATOM 1775 CG LYS A 107 6.537 -8.825 -9.841 1.00 65.44 C ATOM 1776 CD LYS A 107 7.155 -10.214 -9.765 1.00 1.43 C ATOM 1777 CE LYS A 107 8.387 -10.234 -8.873 1.00 15.41 C ATOM 1778 NZ LYS A 107 9.030 -11.572 -8.851 1.00 74.44 N ATOM 0 H LYS A 107 3.875 -8.665 -9.870 1.00 44.43 H new ATOM 0 HA LYS A 107 5.108 -10.277 -7.895 1.00 32.25 H new ATOM 0 HB2 LYS A 107 5.592 -7.361 -8.600 1.00 43.01 H new ATOM 0 HB3 LYS A 107 6.700 -8.418 -7.748 1.00 43.01 H new ATOM 0 HG2 LYS A 107 5.769 -8.813 -10.614 1.00 65.44 H new ATOM 0 HG3 LYS A 107 7.300 -8.105 -10.139 1.00 65.44 H new ATOM 0 HD2 LYS A 107 6.418 -10.920 -9.383 1.00 1.43 H new ATOM 0 HD3 LYS A 107 7.426 -10.547 -10.767 1.00 1.43 H new ATOM 0 HE2 LYS A 107 9.103 -9.492 -9.226 1.00 15.41 H new ATOM 0 HE3 LYS A 107 8.106 -9.949 -7.859 1.00 15.41 H new ATOM 0 HZ1 LYS A 107 9.866 -11.545 -8.233 1.00 74.44 H new ATOM 0 HZ2 LYS A 107 8.355 -12.276 -8.490 1.00 74.44 H new ATOM 0 HZ3 LYS A 107 9.321 -11.833 -9.815 1.00 74.44 H new ATOM 1792 N LEU A 108 3.371 -7.663 -6.888 1.00 34.04 N ATOM 1793 CA LEU A 108 2.735 -7.035 -5.739 1.00 31.44 C ATOM 1794 C LEU A 108 1.857 -8.033 -4.998 1.00 34.23 C ATOM 1795 O LEU A 108 2.004 -8.211 -3.790 1.00 51.20 O ATOM 1796 CB LEU A 108 1.899 -5.831 -6.178 1.00 24.23 C ATOM 1797 CG LEU A 108 2.686 -4.690 -6.828 1.00 52.14 C ATOM 1798 CD1 LEU A 108 1.744 -3.587 -7.283 1.00 3.25 C ATOM 1799 CD2 LEU A 108 3.721 -4.134 -5.862 1.00 52.33 C ATOM 0 H LEU A 108 3.141 -7.229 -7.782 1.00 34.04 H new ATOM 0 HA LEU A 108 3.520 -6.692 -5.065 1.00 31.44 H new ATOM 0 HB2 LEU A 108 1.140 -6.174 -6.881 1.00 24.23 H new ATOM 0 HB3 LEU A 108 1.373 -5.438 -5.308 1.00 24.23 H new ATOM 0 HG LEU A 108 3.206 -5.087 -7.700 1.00 52.14 H new ATOM 0 HD11 LEU A 108 2.320 -2.784 -7.743 1.00 3.25 H new ATOM 0 HD12 LEU A 108 1.037 -3.989 -8.009 1.00 3.25 H new ATOM 0 HD13 LEU A 108 1.199 -3.197 -6.424 1.00 3.25 H new ATOM 0 HD21 LEU A 108 4.270 -3.324 -6.343 1.00 52.33 H new ATOM 0 HD22 LEU A 108 3.220 -3.754 -4.971 1.00 52.33 H new ATOM 0 HD23 LEU A 108 4.416 -4.925 -5.578 1.00 52.33 H new ATOM 1811 N TRP A 109 0.960 -8.690 -5.730 1.00 35.12 N ATOM 1812 CA TRP A 109 0.067 -9.689 -5.142 1.00 65.11 C ATOM 1813 C TRP A 109 0.851 -10.803 -4.455 1.00 21.22 C ATOM 1814 O TRP A 109 0.648 -11.085 -3.273 1.00 62.32 O ATOM 1815 CB TRP A 109 -0.828 -10.322 -6.211 1.00 31.01 C ATOM 1816 CG TRP A 109 -1.957 -9.458 -6.679 1.00 3.34 C ATOM 1817 CD1 TRP A 109 -2.741 -8.639 -5.917 1.00 65.14 C ATOM 1818 CD2 TRP A 109 -2.455 -9.363 -8.016 1.00 30.20 C ATOM 1819 NE1 TRP A 109 -3.694 -8.036 -6.703 1.00 44.21 N ATOM 1820 CE2 TRP A 109 -3.536 -8.464 -7.997 1.00 33.11 C ATOM 1821 CE3 TRP A 109 -2.086 -9.946 -9.230 1.00 24.00 C ATOM 1822 CZ2 TRP A 109 -4.255 -8.139 -9.144 1.00 72.11 C ATOM 1823 CZ3 TRP A 109 -2.800 -9.623 -10.367 1.00 62.41 C ATOM 1824 CH2 TRP A 109 -3.873 -8.727 -10.317 1.00 72.21 C ATOM 0 H TRP A 109 0.831 -8.549 -6.732 1.00 35.12 H new ATOM 0 HA TRP A 109 -0.544 -9.167 -4.406 1.00 65.11 H new ATOM 0 HB2 TRP A 109 -0.212 -10.587 -7.070 1.00 31.01 H new ATOM 0 HB3 TRP A 109 -1.240 -11.251 -5.816 1.00 31.01 H new ATOM 0 HD1 TRP A 109 -2.629 -8.488 -4.854 1.00 65.14 H new ATOM 0 HE1 TRP A 109 -4.402 -7.378 -6.378 1.00 44.21 H new ATOM 0 HE3 TRP A 109 -1.257 -10.637 -9.279 1.00 24.00 H new ATOM 0 HZ2 TRP A 109 -5.084 -7.448 -9.108 1.00 72.11 H new ATOM 0 HZ3 TRP A 109 -2.525 -10.070 -11.311 1.00 62.41 H new ATOM 0 HH2 TRP A 109 -4.411 -8.495 -11.224 1.00 72.21 H new ATOM 1835 N ARG A 110 1.756 -11.411 -5.210 1.00 5.13 N ATOM 1836 CA ARG A 110 2.456 -12.614 -4.775 1.00 73.21 C ATOM 1837 C ARG A 110 3.227 -12.382 -3.478 1.00 61.13 C ATOM 1838 O ARG A 110 3.129 -13.174 -2.537 1.00 51.44 O ATOM 1839 CB ARG A 110 3.399 -13.084 -5.884 1.00 54.23 C ATOM 1840 CG ARG A 110 3.775 -14.554 -5.797 1.00 75.14 C ATOM 1841 CD ARG A 110 4.550 -14.991 -7.028 1.00 24.53 C ATOM 1842 NE ARG A 110 4.733 -16.439 -7.082 1.00 63.34 N ATOM 1843 CZ ARG A 110 5.006 -17.112 -8.200 1.00 61.20 C ATOM 1844 NH1 ARG A 110 5.091 -16.477 -9.365 1.00 15.04 N ATOM 1845 NH2 ARG A 110 5.172 -18.426 -8.166 1.00 70.32 N ATOM 0 H ARG A 110 2.026 -11.086 -6.139 1.00 5.13 H new ATOM 0 HA ARG A 110 1.715 -13.388 -4.574 1.00 73.21 H new ATOM 0 HB2 ARG A 110 2.929 -12.897 -6.849 1.00 54.23 H new ATOM 0 HB3 ARG A 110 4.309 -12.485 -5.851 1.00 54.23 H new ATOM 0 HG2 ARG A 110 4.376 -14.727 -4.904 1.00 75.14 H new ATOM 0 HG3 ARG A 110 2.873 -15.158 -5.697 1.00 75.14 H new ATOM 0 HD2 ARG A 110 4.023 -14.660 -7.923 1.00 24.53 H new ATOM 0 HD3 ARG A 110 5.525 -14.503 -7.033 1.00 24.53 H new ATOM 0 HE ARG A 110 4.647 -16.966 -6.213 1.00 63.34 H new ATOM 0 HH11 ARG A 110 4.947 -15.468 -9.408 1.00 15.04 H new ATOM 0 HH12 ARG A 110 5.300 -16.999 -10.216 1.00 15.04 H new ATOM 0 HH21 ARG A 110 5.091 -18.928 -7.282 1.00 70.32 H new ATOM 0 HH22 ARG A 110 5.381 -18.936 -9.024 1.00 70.32 H new ATOM 1859 N ARG A 111 3.972 -11.286 -3.415 1.00 22.40 N ATOM 1860 CA ARG A 111 4.783 -11.003 -2.239 1.00 1.03 C ATOM 1861 C ARG A 111 3.930 -10.458 -1.092 1.00 73.42 C ATOM 1862 O ARG A 111 4.162 -10.791 0.073 1.00 21.21 O ATOM 1863 CB ARG A 111 5.908 -10.017 -2.574 1.00 61.34 C ATOM 1864 CG ARG A 111 6.806 -9.714 -1.383 1.00 2.11 C ATOM 1865 CD ARG A 111 7.531 -10.960 -0.894 1.00 42.10 C ATOM 1866 NE ARG A 111 7.877 -10.865 0.524 1.00 61.23 N ATOM 1867 CZ ARG A 111 9.121 -10.866 0.996 1.00 25.13 C ATOM 1868 NH1 ARG A 111 10.159 -10.939 0.172 1.00 3.41 N ATOM 1869 NH2 ARG A 111 9.324 -10.807 2.302 1.00 52.44 N ATOM 0 H ARG A 111 4.032 -10.586 -4.155 1.00 22.40 H new ATOM 0 HA ARG A 111 5.228 -11.944 -1.916 1.00 1.03 H new ATOM 0 HB2 ARG A 111 6.513 -10.425 -3.384 1.00 61.34 H new ATOM 0 HB3 ARG A 111 5.472 -9.087 -2.940 1.00 61.34 H new ATOM 0 HG2 ARG A 111 7.536 -8.954 -1.661 1.00 2.11 H new ATOM 0 HG3 ARG A 111 6.207 -9.299 -0.572 1.00 2.11 H new ATOM 0 HD2 ARG A 111 6.901 -11.835 -1.057 1.00 42.10 H new ATOM 0 HD3 ARG A 111 8.438 -11.107 -1.481 1.00 42.10 H new ATOM 0 HE ARG A 111 7.113 -10.793 1.196 1.00 61.23 H new ATOM 0 HH11 ARG A 111 10.008 -10.995 -0.835 1.00 3.41 H new ATOM 0 HH12 ARG A 111 11.108 -10.939 0.546 1.00 3.41 H new ATOM 0 HH21 ARG A 111 8.530 -10.761 2.940 1.00 52.44 H new ATOM 0 HH22 ARG A 111 10.275 -10.807 2.671 1.00 52.44 H new ATOM 1883 N HIS A 112 2.933 -9.638 -1.416 1.00 73.21 N ATOM 1884 CA HIS A 112 2.112 -9.005 -0.388 1.00 53.54 C ATOM 1885 C HIS A 112 1.264 -10.045 0.336 1.00 44.44 C ATOM 1886 O HIS A 112 0.905 -9.862 1.500 1.00 13.20 O ATOM 1887 CB HIS A 112 1.208 -7.930 -0.996 1.00 15.51 C ATOM 1888 CG HIS A 112 0.762 -6.887 -0.015 1.00 32.51 C ATOM 1889 ND1 HIS A 112 -0.122 -7.140 1.013 1.00 53.14 N ATOM 1890 CD2 HIS A 112 1.097 -5.579 0.097 1.00 2.33 C ATOM 1891 CE1 HIS A 112 -0.310 -6.035 1.711 1.00 13.15 C ATOM 1892 NE2 HIS A 112 0.419 -5.075 1.176 1.00 3.51 N ATOM 0 H HIS A 112 2.676 -9.398 -2.373 1.00 73.21 H new ATOM 0 HA HIS A 112 2.782 -8.531 0.330 1.00 53.54 H new ATOM 0 HB2 HIS A 112 1.739 -7.443 -1.814 1.00 15.51 H new ATOM 0 HB3 HIS A 112 0.329 -8.409 -1.427 1.00 15.51 H new ATOM 0 HD1 HIS A 112 -0.562 -8.040 1.204 1.00 53.14 H new ATOM 0 HD2 HIS A 112 1.773 -5.034 -0.545 1.00 2.33 H new ATOM 0 HE1 HIS A 112 -0.952 -5.934 2.574 1.00 13.15 H new ATOM 1901 N CYS A 113 0.937 -11.126 -0.363 1.00 60.13 N ATOM 1902 CA CYS A 113 0.183 -12.218 0.234 1.00 15.44 C ATOM 1903 C CYS A 113 1.034 -12.941 1.277 1.00 24.50 C ATOM 1904 O CYS A 113 0.592 -13.152 2.404 1.00 45.24 O ATOM 1905 CB CYS A 113 -0.291 -13.198 -0.842 1.00 73.30 C ATOM 1906 SG CYS A 113 -1.333 -14.537 -0.213 1.00 1.51 S ATOM 0 H CYS A 113 1.183 -11.268 -1.343 1.00 60.13 H new ATOM 0 HA CYS A 113 -0.695 -11.802 0.728 1.00 15.44 H new ATOM 0 HB2 CYS A 113 -0.845 -12.647 -1.602 1.00 73.30 H new ATOM 0 HB3 CYS A 113 0.580 -13.630 -1.334 1.00 73.30 H new ATOM 0 HG CYS A 113 -2.458 -14.047 0.215 1.00 1.51 H new ATOM 1912 N ARG A 114 2.264 -13.294 0.900 1.00 74.21 N ATOM 1913 CA ARG A 114 3.188 -13.965 1.816 1.00 34.14 C ATOM 1914 C ARG A 114 3.438 -13.114 3.057 1.00 34.02 C ATOM 1915 O ARG A 114 3.471 -13.624 4.178 1.00 55.32 O ATOM 1916 CB ARG A 114 4.517 -14.267 1.121 1.00 20.24 C ATOM 1917 CG ARG A 114 4.437 -15.371 0.081 1.00 71.33 C ATOM 1918 CD ARG A 114 4.050 -16.702 0.708 1.00 53.54 C ATOM 1919 NE ARG A 114 4.184 -17.807 -0.238 1.00 31.22 N ATOM 1920 CZ ARG A 114 4.109 -19.095 0.094 1.00 13.43 C ATOM 1921 NH1 ARG A 114 3.832 -19.456 1.341 1.00 4.31 N ATOM 1922 NH2 ARG A 114 4.291 -20.028 -0.833 1.00 43.45 N ATOM 0 H ARG A 114 2.643 -13.127 -0.032 1.00 74.21 H new ATOM 0 HA ARG A 114 2.727 -14.904 2.122 1.00 34.14 H new ATOM 0 HB2 ARG A 114 4.879 -13.357 0.642 1.00 20.24 H new ATOM 0 HB3 ARG A 114 5.254 -14.545 1.875 1.00 20.24 H new ATOM 0 HG2 ARG A 114 3.707 -15.101 -0.682 1.00 71.33 H new ATOM 0 HG3 ARG A 114 5.400 -15.470 -0.420 1.00 71.33 H new ATOM 0 HD2 ARG A 114 4.679 -16.890 1.578 1.00 53.54 H new ATOM 0 HD3 ARG A 114 3.021 -16.651 1.064 1.00 53.54 H new ATOM 0 HE ARG A 114 4.346 -17.577 -1.218 1.00 31.22 H new ATOM 0 HH11 ARG A 114 3.674 -18.745 2.055 1.00 4.31 H new ATOM 0 HH12 ARG A 114 3.777 -20.445 1.585 1.00 4.31 H new ATOM 0 HH21 ARG A 114 4.488 -19.758 -1.797 1.00 43.45 H new ATOM 0 HH22 ARG A 114 4.234 -21.015 -0.581 1.00 43.45 H new ATOM 1936 N LEU A 115 3.590 -11.813 2.847 1.00 42.43 N ATOM 1937 CA LEU A 115 3.814 -10.873 3.941 1.00 14.31 C ATOM 1938 C LEU A 115 2.619 -10.852 4.894 1.00 33.12 C ATOM 1939 O LEU A 115 2.772 -10.654 6.099 1.00 23.32 O ATOM 1940 CB LEU A 115 4.066 -9.473 3.379 1.00 62.24 C ATOM 1941 CG LEU A 115 4.415 -8.400 4.413 1.00 4.00 C ATOM 1942 CD1 LEU A 115 5.725 -8.730 5.106 1.00 50.53 C ATOM 1943 CD2 LEU A 115 4.497 -7.037 3.750 1.00 74.10 C ATOM 0 H LEU A 115 3.562 -11.381 1.923 1.00 42.43 H new ATOM 0 HA LEU A 115 4.690 -11.197 4.502 1.00 14.31 H new ATOM 0 HB2 LEU A 115 4.878 -9.532 2.655 1.00 62.24 H new ATOM 0 HB3 LEU A 115 3.177 -9.153 2.836 1.00 62.24 H new ATOM 0 HG LEU A 115 3.626 -8.377 5.165 1.00 4.00 H new ATOM 0 HD11 LEU A 115 5.955 -7.955 5.837 1.00 50.53 H new ATOM 0 HD12 LEU A 115 5.637 -9.691 5.612 1.00 50.53 H new ATOM 0 HD13 LEU A 115 6.525 -8.781 4.367 1.00 50.53 H new ATOM 0 HD21 LEU A 115 4.746 -6.283 4.497 1.00 74.10 H new ATOM 0 HD22 LEU A 115 5.268 -7.053 2.980 1.00 74.10 H new ATOM 0 HD23 LEU A 115 3.536 -6.795 3.296 1.00 74.10 H new ATOM 1955 N ALA A 116 1.432 -11.078 4.348 1.00 72.23 N ATOM 1956 CA ALA A 116 0.210 -11.069 5.139 1.00 35.25 C ATOM 1957 C ALA A 116 -0.037 -12.428 5.789 1.00 73.21 C ATOM 1958 O ALA A 116 -0.919 -12.573 6.637 1.00 62.34 O ATOM 1959 CB ALA A 116 -0.970 -10.675 4.270 1.00 74.43 C ATOM 0 H ALA A 116 1.290 -11.270 3.356 1.00 72.23 H new ATOM 0 HA ALA A 116 0.325 -10.334 5.936 1.00 35.25 H new ATOM 0 HB1 ALA A 116 -1.879 -10.671 4.871 1.00 74.43 H new ATOM 0 HB2 ALA A 116 -0.803 -9.679 3.859 1.00 74.43 H new ATOM 0 HB3 ALA A 116 -1.077 -11.391 3.455 1.00 74.43 H new ATOM 1965 N ARG A 117 0.744 -13.422 5.382 1.00 33.34 N ATOM 1966 CA ARG A 117 0.651 -14.759 5.957 1.00 1.14 C ATOM 1967 C ARG A 117 1.671 -14.924 7.076 1.00 1.50 C ATOM 1968 O ARG A 117 1.844 -16.015 7.615 1.00 21.22 O ATOM 1969 CB ARG A 117 0.888 -15.836 4.890 1.00 70.31 C ATOM 1970 CG ARG A 117 -0.119 -15.825 3.750 1.00 73.02 C ATOM 1971 CD ARG A 117 -1.543 -16.017 4.247 1.00 2.34 C ATOM 1972 NE ARG A 117 -1.690 -17.234 5.045 1.00 0.03 N ATOM 1973 CZ ARG A 117 -2.798 -17.974 5.082 1.00 2.24 C ATOM 1974 NH1 ARG A 117 -3.819 -17.693 4.279 1.00 23.03 N ATOM 1975 NH2 ARG A 117 -2.873 -19.011 5.903 1.00 62.51 N ATOM 0 H ARG A 117 1.451 -13.327 4.653 1.00 33.34 H new ATOM 0 HA ARG A 117 -0.355 -14.880 6.359 1.00 1.14 H new ATOM 0 HB2 ARG A 117 1.888 -15.706 4.476 1.00 70.31 H new ATOM 0 HB3 ARG A 117 0.866 -16.815 5.369 1.00 70.31 H new ATOM 0 HG2 ARG A 117 -0.047 -14.880 3.212 1.00 73.02 H new ATOM 0 HG3 ARG A 117 0.127 -16.615 3.041 1.00 73.02 H new ATOM 0 HD2 ARG A 117 -1.837 -15.155 4.845 1.00 2.34 H new ATOM 0 HD3 ARG A 117 -2.221 -16.059 3.395 1.00 2.34 H new ATOM 0 HE ARG A 117 -0.895 -17.535 5.608 1.00 0.03 H new ATOM 0 HH11 ARG A 117 -3.757 -16.908 3.631 1.00 23.03 H new ATOM 0 HH12 ARG A 117 -4.665 -18.262 4.311 1.00 23.03 H new ATOM 0 HH21 ARG A 117 -2.083 -19.242 6.506 1.00 62.51 H new ATOM 0 HH22 ARG A 117 -3.720 -19.578 5.932 1.00 62.51 H new