USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 GLN :FLIP amide:sc= 0.442 F(o=-1.8!,f=0.9) USER MOD Set 1.2: A 78 HIS : no HD1:sc= 0.46 K(o=0.9,f=-2) USER MOD Set 2.1: A 63 ASN : amide:sc= 1.01 K(o=3.3,f=-12!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 2.32 (180deg=1.09) USER MOD Single : A 17 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.034) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.53) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0267 F(o=-0.89,f=-0.027) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 32 GLN : amide:sc= 0.712 K(o=0.71,f=-7.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0586 K(o=-0.059,f=-3.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0017 X(o=-0.0017,f=-0.28) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc=-0.000334 (180deg=-0.165) USER MOD Single : A 55 ASN : amide:sc= -5.1! C(o=-5.1!,f=-4.6!) USER MOD Single : A 60 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.4!) USER MOD Single : A 69 THR OG1 : rot -78:sc= 0.408 USER MOD Single : A 72 SER OG : rot -60:sc= -1.64! USER MOD Single : A 83 MET CE :methyl -159:sc= -0.159 (180deg=-1.55) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -1.43 (180deg=-2.03) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 102 SER OG : rot -6:sc= 0.109 USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= 1.31 (180deg=1.19) USER MOD Single : A 112 HIS : no HE2:sc= -0.302 K(o=-0.3,f=-1.2) USER MOD Single : A 113 CYS SG : rot 122:sc= 0.579 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -4.565 7.619 11.266 1.00 73.21 N ATOM 281 CA GLN A 17 -4.142 6.310 10.774 1.00 3.25 C ATOM 282 C GLN A 17 -2.809 6.381 10.026 1.00 31.02 C ATOM 283 O GLN A 17 -1.978 5.485 10.155 1.00 24.55 O ATOM 284 CB GLN A 17 -5.224 5.697 9.876 1.00 23.14 C ATOM 285 CG GLN A 17 -5.600 6.557 8.679 1.00 62.22 C ATOM 286 CD GLN A 17 -6.614 5.890 7.767 1.00 60.10 C ATOM 287 OE1 GLN A 17 -7.428 6.560 7.132 1.00 64.44 O ATOM 288 NE2 GLN A 17 -6.561 4.568 7.682 1.00 13.34 N ATOM 0 HA GLN A 17 -3.996 5.670 11.644 1.00 3.25 H new ATOM 0 HB2 GLN A 17 -4.877 4.727 9.518 1.00 23.14 H new ATOM 0 HB3 GLN A 17 -6.117 5.516 10.474 1.00 23.14 H new ATOM 0 HG2 GLN A 17 -6.005 7.505 9.032 1.00 62.22 H new ATOM 0 HG3 GLN A 17 -4.701 6.788 8.107 1.00 62.22 H new ATOM 0 HE21 GLN A 17 -5.871 4.049 8.225 1.00 13.34 H new ATOM 0 HE22 GLN A 17 -7.210 4.070 7.073 1.00 13.34 H new ATOM 297 N PHE A 18 -2.601 7.454 9.269 1.00 71.43 N ATOM 298 CA PHE A 18 -1.373 7.617 8.504 1.00 44.52 C ATOM 299 C PHE A 18 -0.178 7.752 9.441 1.00 3.02 C ATOM 300 O PHE A 18 0.847 7.105 9.252 1.00 2.14 O ATOM 301 CB PHE A 18 -1.469 8.839 7.584 1.00 32.15 C ATOM 302 CG PHE A 18 -0.273 9.014 6.690 1.00 10.10 C ATOM 303 CD1 PHE A 18 -0.195 8.341 5.484 1.00 23.20 C ATOM 304 CD2 PHE A 18 0.774 9.845 7.061 1.00 52.12 C ATOM 305 CE1 PHE A 18 0.904 8.490 4.663 1.00 14.44 C ATOM 306 CE2 PHE A 18 1.875 9.999 6.242 1.00 23.34 C ATOM 307 CZ PHE A 18 1.940 9.320 5.042 1.00 53.03 C ATOM 0 H PHE A 18 -3.266 8.221 9.170 1.00 71.43 H new ATOM 0 HA PHE A 18 -1.233 6.730 7.886 1.00 44.52 H new ATOM 0 HB2 PHE A 18 -2.363 8.750 6.967 1.00 32.15 H new ATOM 0 HB3 PHE A 18 -1.590 9.734 8.194 1.00 32.15 H new ATOM 0 HD1 PHE A 18 -1.003 7.692 5.182 1.00 23.20 H new ATOM 0 HD2 PHE A 18 0.728 10.377 8.000 1.00 52.12 H new ATOM 0 HE1 PHE A 18 0.954 7.958 3.725 1.00 14.44 H new ATOM 0 HE2 PHE A 18 2.684 10.650 6.540 1.00 23.34 H new ATOM 0 HZ PHE A 18 2.801 9.438 4.400 1.00 53.03 H new ATOM 317 N THR A 19 -0.329 8.573 10.472 1.00 43.02 N ATOM 318 CA THR A 19 0.743 8.805 11.426 1.00 45.31 C ATOM 319 C THR A 19 0.989 7.554 12.276 1.00 25.44 C ATOM 320 O THR A 19 2.080 7.352 12.809 1.00 60.13 O ATOM 321 CB THR A 19 0.404 10.005 12.332 1.00 64.35 C ATOM 322 OG1 THR A 19 -0.036 11.106 11.521 1.00 24.24 O ATOM 323 CG2 THR A 19 1.615 10.434 13.147 1.00 31.15 C ATOM 0 H THR A 19 -1.186 9.090 10.668 1.00 43.02 H new ATOM 0 HA THR A 19 1.653 9.031 10.871 1.00 45.31 H new ATOM 0 HB THR A 19 -0.387 9.704 13.019 1.00 64.35 H new ATOM 0 HG1 THR A 19 -0.254 11.869 12.096 1.00 24.24 H new ATOM 0 HG21 THR A 19 1.348 11.282 13.777 1.00 31.15 H new ATOM 0 HG22 THR A 19 1.944 9.605 13.774 1.00 31.15 H new ATOM 0 HG23 THR A 19 2.423 10.722 12.474 1.00 31.15 H new ATOM 331 N PHE A 20 -0.027 6.707 12.380 1.00 10.30 N ATOM 332 CA PHE A 20 0.081 5.474 13.140 1.00 2.11 C ATOM 333 C PHE A 20 0.837 4.417 12.343 1.00 41.03 C ATOM 334 O PHE A 20 1.735 3.758 12.866 1.00 3.21 O ATOM 335 CB PHE A 20 -1.310 4.955 13.517 1.00 31.24 C ATOM 336 CG PHE A 20 -1.288 3.741 14.403 1.00 41.35 C ATOM 337 CD1 PHE A 20 -1.232 3.873 15.779 1.00 61.00 C ATOM 338 CD2 PHE A 20 -1.324 2.467 13.858 1.00 73.12 C ATOM 339 CE1 PHE A 20 -1.214 2.758 16.595 1.00 2.52 C ATOM 340 CE2 PHE A 20 -1.305 1.350 14.668 1.00 60.21 C ATOM 341 CZ PHE A 20 -1.251 1.496 16.039 1.00 41.32 C ATOM 0 H PHE A 20 -0.938 6.855 11.945 1.00 10.30 H new ATOM 0 HA PHE A 20 0.637 5.683 14.054 1.00 2.11 H new ATOM 0 HB2 PHE A 20 -1.859 5.750 14.021 1.00 31.24 H new ATOM 0 HB3 PHE A 20 -1.858 4.717 12.605 1.00 31.24 H new ATOM 0 HD1 PHE A 20 -1.202 4.858 16.220 1.00 61.00 H new ATOM 0 HD2 PHE A 20 -1.367 2.347 12.786 1.00 73.12 H new ATOM 0 HE1 PHE A 20 -1.171 2.874 17.668 1.00 2.52 H new ATOM 0 HE2 PHE A 20 -1.332 0.363 14.230 1.00 60.21 H new ATOM 0 HZ PHE A 20 -1.238 0.624 16.676 1.00 41.32 H new ATOM 351 N VAL A 21 0.479 4.264 11.074 1.00 31.44 N ATOM 352 CA VAL A 21 1.105 3.251 10.233 1.00 53.22 C ATOM 353 C VAL A 21 2.510 3.671 9.813 1.00 11.41 C ATOM 354 O VAL A 21 3.356 2.827 9.524 1.00 42.33 O ATOM 355 CB VAL A 21 0.260 2.928 8.975 1.00 43.13 C ATOM 356 CG1 VAL A 21 -1.119 2.424 9.369 1.00 25.14 C ATOM 357 CG2 VAL A 21 0.144 4.135 8.057 1.00 22.25 C ATOM 0 H VAL A 21 -0.235 4.823 10.608 1.00 31.44 H new ATOM 0 HA VAL A 21 1.169 2.347 10.839 1.00 53.22 H new ATOM 0 HB VAL A 21 0.775 2.140 8.426 1.00 43.13 H new ATOM 0 HG11 VAL A 21 -1.696 2.203 8.471 1.00 25.14 H new ATOM 0 HG12 VAL A 21 -1.018 1.519 9.967 1.00 25.14 H new ATOM 0 HG13 VAL A 21 -1.633 3.189 9.952 1.00 25.14 H new ATOM 0 HG21 VAL A 21 -0.455 3.873 7.185 1.00 22.25 H new ATOM 0 HG22 VAL A 21 -0.335 4.955 8.593 1.00 22.25 H new ATOM 0 HG23 VAL A 21 1.138 4.444 7.735 1.00 22.25 H new ATOM 367 N PHE A 22 2.761 4.975 9.810 1.00 40.11 N ATOM 368 CA PHE A 22 4.053 5.509 9.396 1.00 73.54 C ATOM 369 C PHE A 22 5.117 5.256 10.463 1.00 74.01 C ATOM 370 O PHE A 22 6.316 5.374 10.200 1.00 44.22 O ATOM 371 CB PHE A 22 3.937 7.008 9.104 1.00 63.51 C ATOM 372 CG PHE A 22 5.134 7.584 8.402 1.00 23.33 C ATOM 373 CD1 PHE A 22 5.387 7.276 7.075 1.00 44.53 C ATOM 374 CD2 PHE A 22 6.002 8.436 9.065 1.00 73.20 C ATOM 375 CE1 PHE A 22 6.484 7.803 6.424 1.00 21.21 C ATOM 376 CE2 PHE A 22 7.101 8.967 8.420 1.00 22.31 C ATOM 377 CZ PHE A 22 7.342 8.649 7.097 1.00 24.42 C ATOM 0 H PHE A 22 2.084 5.684 10.091 1.00 40.11 H new ATOM 0 HA PHE A 22 4.359 4.995 8.485 1.00 73.54 H new ATOM 0 HB2 PHE A 22 3.051 7.182 8.494 1.00 63.51 H new ATOM 0 HB3 PHE A 22 3.787 7.541 10.043 1.00 63.51 H new ATOM 0 HD1 PHE A 22 4.718 6.616 6.544 1.00 44.53 H new ATOM 0 HD2 PHE A 22 5.817 8.688 10.099 1.00 73.20 H new ATOM 0 HE1 PHE A 22 6.671 7.554 5.390 1.00 21.21 H new ATOM 0 HE2 PHE A 22 7.771 9.629 8.948 1.00 22.31 H new ATOM 0 HZ PHE A 22 8.201 9.062 6.590 1.00 24.42 H new ATOM 387 N GLN A 23 4.674 4.914 11.669 1.00 24.11 N ATOM 388 CA GLN A 23 5.594 4.583 12.753 1.00 30.24 C ATOM 389 C GLN A 23 6.465 3.398 12.360 1.00 33.13 C ATOM 390 O GLN A 23 7.693 3.473 12.402 1.00 11.23 O ATOM 391 CB GLN A 23 4.823 4.264 14.034 1.00 33.34 C ATOM 392 CG GLN A 23 4.065 5.453 14.597 1.00 35.40 C ATOM 393 CD GLN A 23 3.239 5.094 15.815 1.00 44.54 C ATOM 394 OE1 GLN A 23 3.588 4.191 16.576 1.00 14.20 O ATOM 395 NE2 GLN A 23 2.137 5.800 16.007 1.00 74.31 N ATOM 0 H GLN A 23 3.687 4.859 11.920 1.00 24.11 H new ATOM 0 HA GLN A 23 6.233 5.447 12.938 1.00 30.24 H new ATOM 0 HB2 GLN A 23 4.119 3.456 13.833 1.00 33.34 H new ATOM 0 HB3 GLN A 23 5.521 3.899 14.787 1.00 33.34 H new ATOM 0 HG2 GLN A 23 4.773 6.238 14.861 1.00 35.40 H new ATOM 0 HG3 GLN A 23 3.411 5.860 13.826 1.00 35.40 H new ATOM 0 HE21 GLN A 23 1.885 6.540 15.352 1.00 74.31 H new ATOM 0 HE22 GLN A 23 1.540 5.605 16.810 1.00 74.31 H new ATOM 404 N GLN A 24 5.818 2.311 11.970 1.00 62.41 N ATOM 405 CA GLN A 24 6.515 1.133 11.486 1.00 72.34 C ATOM 406 C GLN A 24 5.541 0.235 10.737 1.00 2.12 C ATOM 407 O GLN A 24 4.790 -0.528 11.347 1.00 2.35 O ATOM 408 CB GLN A 24 7.167 0.366 12.639 1.00 74.11 C ATOM 409 CG GLN A 24 8.109 -0.732 12.170 1.00 24.42 C ATOM 410 CD GLN A 24 8.793 -1.448 13.316 1.00 33.15 C ATOM 411 OE1 GLN A 24 9.862 -1.040 13.769 1.00 31.04 O ATOM 412 NE2 GLN A 24 8.184 -2.517 13.796 1.00 13.12 N ATOM 0 H GLN A 24 4.802 2.222 11.980 1.00 62.41 H new ATOM 0 HA GLN A 24 7.307 1.452 10.808 1.00 72.34 H new ATOM 0 HB2 GLN A 24 7.719 1.066 13.267 1.00 74.11 H new ATOM 0 HB3 GLN A 24 6.388 -0.074 13.261 1.00 74.11 H new ATOM 0 HG2 GLN A 24 7.549 -1.456 11.578 1.00 24.42 H new ATOM 0 HG3 GLN A 24 8.865 -0.300 11.514 1.00 24.42 H new ATOM 0 HE21 GLN A 24 7.299 -2.824 13.393 1.00 13.12 H new ATOM 0 HE22 GLN A 24 8.599 -3.036 14.570 1.00 13.12 H new ATOM 421 N PRO A 25 5.507 0.365 9.409 1.00 2.44 N ATOM 422 CA PRO A 25 4.635 -0.418 8.553 1.00 42.13 C ATOM 423 C PRO A 25 5.325 -1.660 7.993 1.00 43.41 C ATOM 424 O PRO A 25 6.500 -1.910 8.264 1.00 12.43 O ATOM 425 CB PRO A 25 4.327 0.571 7.434 1.00 51.44 C ATOM 426 CG PRO A 25 5.559 1.418 7.312 1.00 25.45 C ATOM 427 CD PRO A 25 6.309 1.316 8.622 1.00 53.33 C ATOM 0 HA PRO A 25 3.761 -0.803 9.078 1.00 42.13 H new ATOM 0 HB2 PRO A 25 4.110 0.054 6.499 1.00 51.44 H new ATOM 0 HB3 PRO A 25 3.453 1.178 7.673 1.00 51.44 H new ATOM 0 HG2 PRO A 25 6.181 1.074 6.486 1.00 25.45 H new ATOM 0 HG3 PRO A 25 5.293 2.454 7.101 1.00 25.45 H new ATOM 0 HD2 PRO A 25 7.327 0.955 8.474 1.00 53.33 H new ATOM 0 HD3 PRO A 25 6.383 2.284 9.118 1.00 53.33 H new ATOM 435 N GLN A 26 4.579 -2.443 7.227 1.00 14.24 N ATOM 436 CA GLN A 26 5.138 -3.585 6.519 1.00 53.33 C ATOM 437 C GLN A 26 5.571 -3.158 5.122 1.00 4.01 C ATOM 438 O GLN A 26 4.749 -3.045 4.210 1.00 62.53 O ATOM 439 CB GLN A 26 4.110 -4.721 6.422 1.00 61.53 C ATOM 440 CG GLN A 26 3.564 -5.174 7.768 1.00 60.13 C ATOM 441 CD GLN A 26 4.620 -5.788 8.672 1.00 33.30 C ATOM 442 OE1 GLN A 26 5.616 -6.433 8.082 1.00 3.03 O flip ATOM 443 NE2 GLN A 26 4.535 -5.688 9.896 1.00 1.41 N flip ATOM 0 H GLN A 26 3.579 -2.307 7.080 1.00 14.24 H new ATOM 0 HA GLN A 26 6.003 -3.950 7.073 1.00 53.33 H new ATOM 0 HB2 GLN A 26 3.280 -4.394 5.795 1.00 61.53 H new ATOM 0 HB3 GLN A 26 4.571 -5.573 5.922 1.00 61.53 H new ATOM 0 HG2 GLN A 26 3.114 -4.320 8.275 1.00 60.13 H new ATOM 0 HG3 GLN A 26 2.770 -5.902 7.603 1.00 60.13 H new ATOM 0 HE21 GLN A 26 3.753 -5.183 10.313 1.00 1.41 H new ATOM 0 HE22 GLN A 26 5.247 -6.110 10.493 1.00 1.41 H new ATOM 452 N ARG A 27 6.857 -2.891 4.962 1.00 51.24 N ATOM 453 CA ARG A 27 7.391 -2.451 3.683 1.00 15.23 C ATOM 454 C ARG A 27 7.457 -3.632 2.720 1.00 42.11 C ATOM 455 O ARG A 27 8.337 -4.483 2.832 1.00 33.12 O ATOM 456 CB ARG A 27 8.787 -1.841 3.884 1.00 52.42 C ATOM 457 CG ARG A 27 9.217 -0.837 2.814 1.00 20.35 C ATOM 458 CD ARG A 27 9.376 -1.471 1.438 1.00 35.13 C ATOM 459 NE ARG A 27 9.959 -0.537 0.474 1.00 3.15 N ATOM 460 CZ ARG A 27 9.405 -0.209 -0.693 1.00 70.42 C ATOM 461 NH1 ARG A 27 8.258 -0.761 -1.071 1.00 33.25 N ATOM 462 NH2 ARG A 27 9.997 0.674 -1.486 1.00 73.43 N ATOM 0 H ARG A 27 7.552 -2.972 5.704 1.00 51.24 H new ATOM 0 HA ARG A 27 6.736 -1.690 3.259 1.00 15.23 H new ATOM 0 HB2 ARG A 27 8.814 -1.347 4.855 1.00 52.42 H new ATOM 0 HB3 ARG A 27 9.518 -2.649 3.917 1.00 52.42 H new ATOM 0 HG2 ARG A 27 8.480 -0.036 2.757 1.00 20.35 H new ATOM 0 HG3 ARG A 27 10.161 -0.380 3.110 1.00 20.35 H new ATOM 0 HD2 ARG A 27 10.009 -2.355 1.516 1.00 35.13 H new ATOM 0 HD3 ARG A 27 8.403 -1.806 1.077 1.00 35.13 H new ATOM 0 HE ARG A 27 10.853 -0.107 0.712 1.00 3.15 H new ATOM 0 HH11 ARG A 27 7.796 -1.440 -0.467 1.00 33.25 H new ATOM 0 HH12 ARG A 27 7.839 -0.506 -1.965 1.00 33.25 H new ATOM 0 HH21 ARG A 27 10.878 1.103 -1.203 1.00 73.43 H new ATOM 0 HH22 ARG A 27 9.571 0.924 -2.379 1.00 73.43 H new ATOM 476 N ALA A 28 6.509 -3.695 1.797 1.00 3.41 N ATOM 477 CA ALA A 28 6.488 -4.757 0.802 1.00 44.34 C ATOM 478 C ALA A 28 6.118 -4.206 -0.569 1.00 11.40 C ATOM 479 O ALA A 28 4.977 -3.794 -0.796 1.00 2.34 O ATOM 480 CB ALA A 28 5.517 -5.851 1.219 1.00 51.52 C ATOM 0 H ALA A 28 5.745 -3.024 1.716 1.00 3.41 H new ATOM 0 HA ALA A 28 7.488 -5.186 0.735 1.00 44.34 H new ATOM 0 HB1 ALA A 28 5.511 -6.639 0.466 1.00 51.52 H new ATOM 0 HB2 ALA A 28 5.828 -6.267 2.177 1.00 51.52 H new ATOM 0 HB3 ALA A 28 4.515 -5.432 1.313 1.00 51.52 H new ATOM 486 N GLY A 29 7.091 -4.193 -1.470 1.00 4.23 N ATOM 487 CA GLY A 29 6.878 -3.674 -2.806 1.00 72.13 C ATOM 488 C GLY A 29 8.157 -3.113 -3.386 1.00 12.34 C ATOM 489 O GLY A 29 9.224 -3.282 -2.799 1.00 61.55 O ATOM 0 H GLY A 29 8.035 -4.537 -1.296 1.00 4.23 H new ATOM 0 HA2 GLY A 29 6.501 -4.467 -3.451 1.00 72.13 H new ATOM 0 HA3 GLY A 29 6.116 -2.895 -2.779 1.00 72.13 H new ATOM 493 N THR A 30 8.060 -2.434 -4.519 1.00 12.43 N ATOM 494 CA THR A 30 9.229 -1.840 -5.151 1.00 2.13 C ATOM 495 C THR A 30 9.399 -0.389 -4.693 1.00 42.22 C ATOM 496 O THR A 30 8.541 0.144 -3.986 1.00 31.10 O ATOM 497 CB THR A 30 9.119 -1.900 -6.691 1.00 21.13 C ATOM 498 OG1 THR A 30 7.899 -1.288 -7.127 1.00 31.50 O ATOM 499 CG2 THR A 30 9.172 -3.340 -7.179 1.00 1.32 C ATOM 0 H THR A 30 7.185 -2.280 -5.020 1.00 12.43 H new ATOM 0 HA THR A 30 10.105 -2.415 -4.849 1.00 2.13 H new ATOM 0 HB THR A 30 9.964 -1.355 -7.112 1.00 21.13 H new ATOM 0 HG1 THR A 30 7.842 -1.331 -8.104 1.00 31.50 H new ATOM 0 HG21 THR A 30 9.093 -3.359 -8.266 1.00 1.32 H new ATOM 0 HG22 THR A 30 10.116 -3.792 -6.876 1.00 1.32 H new ATOM 0 HG23 THR A 30 8.345 -3.902 -6.745 1.00 1.32 H new ATOM 507 N PRO A 31 10.525 0.260 -5.043 1.00 32.31 N ATOM 508 CA PRO A 31 10.751 1.677 -4.730 1.00 13.44 C ATOM 509 C PRO A 31 9.668 2.587 -5.313 1.00 35.03 C ATOM 510 O PRO A 31 9.168 3.478 -4.628 1.00 71.40 O ATOM 511 CB PRO A 31 12.103 1.980 -5.377 1.00 62.50 C ATOM 512 CG PRO A 31 12.777 0.659 -5.496 1.00 63.11 C ATOM 513 CD PRO A 31 11.684 -0.340 -5.730 1.00 64.22 C ATOM 0 HA PRO A 31 10.727 1.859 -3.655 1.00 13.44 H new ATOM 0 HB2 PRO A 31 11.977 2.448 -6.353 1.00 62.50 H new ATOM 0 HB3 PRO A 31 12.688 2.668 -4.766 1.00 62.50 H new ATOM 0 HG2 PRO A 31 13.491 0.657 -6.320 1.00 63.11 H new ATOM 0 HG3 PRO A 31 13.335 0.422 -4.590 1.00 63.11 H new ATOM 0 HD2 PRO A 31 11.491 -0.484 -6.793 1.00 64.22 H new ATOM 0 HD3 PRO A 31 11.936 -1.317 -5.316 1.00 64.22 H new ATOM 521 N GLN A 32 9.312 2.353 -6.576 1.00 42.25 N ATOM 522 CA GLN A 32 8.313 3.169 -7.262 1.00 35.22 C ATOM 523 C GLN A 32 6.966 3.110 -6.550 1.00 4.33 C ATOM 524 O GLN A 32 6.343 4.140 -6.301 1.00 20.31 O ATOM 525 CB GLN A 32 8.133 2.727 -8.722 1.00 53.20 C ATOM 526 CG GLN A 32 9.299 3.074 -9.638 1.00 4.55 C ATOM 527 CD GLN A 32 10.399 2.027 -9.643 1.00 70.01 C ATOM 528 OE1 GLN A 32 10.618 1.316 -8.661 1.00 41.23 O ATOM 529 NE2 GLN A 32 11.101 1.922 -10.759 1.00 43.25 N ATOM 0 H GLN A 32 9.703 1.602 -7.145 1.00 42.25 H new ATOM 0 HA GLN A 32 8.680 4.195 -7.246 1.00 35.22 H new ATOM 0 HB2 GLN A 32 7.979 1.648 -8.745 1.00 53.20 H new ATOM 0 HB3 GLN A 32 7.228 3.187 -9.118 1.00 53.20 H new ATOM 0 HG2 GLN A 32 8.926 3.203 -10.654 1.00 4.55 H new ATOM 0 HG3 GLN A 32 9.721 4.031 -9.330 1.00 4.55 H new ATOM 0 HE21 GLN A 32 10.891 2.528 -11.552 1.00 43.25 H new ATOM 0 HE22 GLN A 32 11.852 1.235 -10.826 1.00 43.25 H new ATOM 538 N ILE A 33 6.519 1.906 -6.231 1.00 65.10 N ATOM 539 CA ILE A 33 5.247 1.734 -5.554 1.00 3.03 C ATOM 540 C ILE A 33 5.462 1.171 -4.145 1.00 0.21 C ATOM 541 O ILE A 33 5.670 -0.030 -3.947 1.00 53.03 O ATOM 542 CB ILE A 33 4.276 0.850 -6.382 1.00 74.12 C ATOM 543 CG1 ILE A 33 2.975 0.603 -5.615 1.00 43.25 C ATOM 544 CG2 ILE A 33 4.924 -0.467 -6.782 1.00 22.43 C ATOM 545 CD1 ILE A 33 1.943 -0.180 -6.402 1.00 42.43 C ATOM 0 H ILE A 33 7.017 1.038 -6.429 1.00 65.10 H new ATOM 0 HA ILE A 33 4.779 2.713 -5.458 1.00 3.03 H new ATOM 0 HB ILE A 33 4.037 1.393 -7.297 1.00 74.12 H new ATOM 0 HG12 ILE A 33 3.203 0.065 -4.695 1.00 43.25 H new ATOM 0 HG13 ILE A 33 2.547 1.562 -5.325 1.00 43.25 H new ATOM 0 HG21 ILE A 33 4.216 -1.060 -7.360 1.00 22.43 H new ATOM 0 HG22 ILE A 33 5.809 -0.268 -7.386 1.00 22.43 H new ATOM 0 HG23 ILE A 33 5.212 -1.017 -5.886 1.00 22.43 H new ATOM 0 HD11 ILE A 33 1.048 -0.316 -5.794 1.00 42.43 H new ATOM 0 HD12 ILE A 33 1.686 0.367 -7.309 1.00 42.43 H new ATOM 0 HD13 ILE A 33 2.352 -1.154 -6.669 1.00 42.43 H new ATOM 557 N THR A 34 5.442 2.063 -3.169 1.00 54.31 N ATOM 558 CA THR A 34 5.716 1.696 -1.793 1.00 20.41 C ATOM 559 C THR A 34 4.418 1.503 -1.008 1.00 12.22 C ATOM 560 O THR A 34 3.808 2.466 -0.548 1.00 1.43 O ATOM 561 CB THR A 34 6.587 2.767 -1.107 1.00 72.25 C ATOM 562 OG1 THR A 34 7.747 3.030 -1.912 1.00 60.34 O ATOM 563 CG2 THR A 34 7.026 2.315 0.280 1.00 44.02 C ATOM 0 H THR A 34 5.237 3.053 -3.307 1.00 54.31 H new ATOM 0 HA THR A 34 6.260 0.751 -1.804 1.00 20.41 H new ATOM 0 HB THR A 34 5.992 3.674 -1.000 1.00 72.25 H new ATOM 0 HG1 THR A 34 8.300 3.712 -1.476 1.00 60.34 H new ATOM 0 HG21 THR A 34 7.639 3.091 0.739 1.00 44.02 H new ATOM 0 HG22 THR A 34 6.147 2.134 0.899 1.00 44.02 H new ATOM 0 HG23 THR A 34 7.607 1.396 0.196 1.00 44.02 H new ATOM 571 N ILE A 35 3.988 0.255 -0.881 1.00 20.02 N ATOM 572 CA ILE A 35 2.777 -0.056 -0.132 1.00 52.44 C ATOM 573 C ILE A 35 3.100 -0.150 1.353 1.00 23.42 C ATOM 574 O ILE A 35 3.877 -1.011 1.772 1.00 64.01 O ATOM 575 CB ILE A 35 2.117 -1.384 -0.592 1.00 41.42 C ATOM 576 CG1 ILE A 35 1.822 -1.377 -2.100 1.00 43.04 C ATOM 577 CG2 ILE A 35 0.832 -1.633 0.189 1.00 54.43 C ATOM 578 CD1 ILE A 35 2.993 -1.806 -2.962 1.00 54.41 C ATOM 0 H ILE A 35 4.457 -0.556 -1.285 1.00 20.02 H new ATOM 0 HA ILE A 35 2.069 0.751 -0.321 1.00 52.44 H new ATOM 0 HB ILE A 35 2.823 -2.190 -0.392 1.00 41.42 H new ATOM 0 HG12 ILE A 35 0.978 -2.038 -2.297 1.00 43.04 H new ATOM 0 HG13 ILE A 35 1.516 -0.373 -2.395 1.00 43.04 H new ATOM 0 HG21 ILE A 35 0.379 -2.567 -0.143 1.00 54.43 H new ATOM 0 HG22 ILE A 35 1.060 -1.698 1.253 1.00 54.43 H new ATOM 0 HG23 ILE A 35 0.137 -0.812 0.017 1.00 54.43 H new ATOM 0 HD11 ILE A 35 2.703 -1.774 -4.012 1.00 54.41 H new ATOM 0 HD12 ILE A 35 3.833 -1.131 -2.797 1.00 54.41 H new ATOM 0 HD13 ILE A 35 3.286 -2.822 -2.698 1.00 54.41 H new ATOM 590 N LEU A 36 2.522 0.747 2.137 1.00 43.21 N ATOM 591 CA LEU A 36 2.759 0.778 3.572 1.00 3.40 C ATOM 592 C LEU A 36 1.481 0.452 4.333 1.00 4.10 C ATOM 593 O LEU A 36 0.413 0.981 4.030 1.00 30.40 O ATOM 594 CB LEU A 36 3.280 2.153 3.999 1.00 53.43 C ATOM 595 CG LEU A 36 4.595 2.585 3.345 1.00 62.25 C ATOM 596 CD1 LEU A 36 4.990 3.976 3.812 1.00 31.00 C ATOM 597 CD2 LEU A 36 5.702 1.585 3.650 1.00 33.35 C ATOM 0 H LEU A 36 1.882 1.467 1.801 1.00 43.21 H new ATOM 0 HA LEU A 36 3.511 0.025 3.808 1.00 3.40 H new ATOM 0 HB2 LEU A 36 2.518 2.899 3.772 1.00 53.43 H new ATOM 0 HB3 LEU A 36 3.414 2.153 5.081 1.00 53.43 H new ATOM 0 HG LEU A 36 4.447 2.612 2.265 1.00 62.25 H new ATOM 0 HD11 LEU A 36 5.927 4.267 3.337 1.00 31.00 H new ATOM 0 HD12 LEU A 36 4.209 4.686 3.540 1.00 31.00 H new ATOM 0 HD13 LEU A 36 5.117 3.974 4.895 1.00 31.00 H new ATOM 0 HD21 LEU A 36 6.628 1.911 3.176 1.00 33.35 H new ATOM 0 HD22 LEU A 36 5.849 1.523 4.728 1.00 33.35 H new ATOM 0 HD23 LEU A 36 5.423 0.604 3.265 1.00 33.35 H new ATOM 609 N GLY A 37 1.597 -0.424 5.318 1.00 14.41 N ATOM 610 CA GLY A 37 0.455 -0.782 6.131 1.00 11.43 C ATOM 611 C GLY A 37 0.871 -1.256 7.508 1.00 61.54 C ATOM 612 O GLY A 37 1.924 -1.875 7.660 1.00 22.14 O ATOM 0 H GLY A 37 2.466 -0.895 5.570 1.00 14.41 H new ATOM 0 HA2 GLY A 37 -0.207 0.079 6.227 1.00 11.43 H new ATOM 0 HA3 GLY A 37 -0.114 -1.567 5.633 1.00 11.43 H new ATOM 616 N ARG A 38 0.059 -0.950 8.509 1.00 2.14 N ATOM 617 CA ARG A 38 0.327 -1.368 9.879 1.00 41.12 C ATOM 618 C ARG A 38 -0.979 -1.746 10.562 1.00 15.11 C ATOM 619 O ARG A 38 -1.999 -1.082 10.369 1.00 63.30 O ATOM 620 CB ARG A 38 1.044 -0.255 10.654 1.00 1.42 C ATOM 621 CG ARG A 38 1.242 -0.548 12.134 1.00 33.23 C ATOM 622 CD ARG A 38 2.128 0.497 12.794 1.00 24.33 C ATOM 623 NE ARG A 38 2.173 0.351 14.248 1.00 51.41 N ATOM 624 CZ ARG A 38 3.221 -0.129 14.923 1.00 53.44 C ATOM 625 NH1 ARG A 38 4.281 -0.600 14.274 1.00 74.33 N ATOM 626 NH2 ARG A 38 3.198 -0.152 16.250 1.00 44.03 N ATOM 0 H ARG A 38 -0.798 -0.409 8.397 1.00 2.14 H new ATOM 0 HA ARG A 38 0.982 -2.239 9.863 1.00 41.12 H new ATOM 0 HB2 ARG A 38 2.018 -0.080 10.197 1.00 1.42 H new ATOM 0 HB3 ARG A 38 0.473 0.668 10.552 1.00 1.42 H new ATOM 0 HG2 ARG A 38 0.274 -0.574 12.634 1.00 33.23 H new ATOM 0 HG3 ARG A 38 1.689 -1.535 12.254 1.00 33.23 H new ATOM 0 HD2 ARG A 38 3.138 0.419 12.392 1.00 24.33 H new ATOM 0 HD3 ARG A 38 1.761 1.492 12.543 1.00 24.33 H new ATOM 0 HE ARG A 38 1.351 0.634 14.781 1.00 51.41 H new ATOM 0 HH11 ARG A 38 4.298 -0.596 13.254 1.00 74.33 H new ATOM 0 HH12 ARG A 38 5.078 -0.965 14.796 1.00 74.33 H new ATOM 0 HH21 ARG A 38 2.381 0.196 16.752 1.00 44.03 H new ATOM 0 HH22 ARG A 38 3.997 -0.518 16.768 1.00 44.03 H new ATOM 640 N LEU A 39 -0.940 -2.817 11.346 1.00 14.23 N ATOM 641 CA LEU A 39 -2.135 -3.353 11.979 1.00 34.43 C ATOM 642 C LEU A 39 -2.733 -2.347 12.963 1.00 41.34 C ATOM 643 O LEU A 39 -2.141 -2.044 14.002 1.00 61.00 O ATOM 644 CB LEU A 39 -1.811 -4.674 12.683 1.00 22.53 C ATOM 645 CG LEU A 39 -3.024 -5.456 13.189 1.00 21.25 C ATOM 646 CD1 LEU A 39 -3.958 -5.799 12.036 1.00 12.42 C ATOM 647 CD2 LEU A 39 -2.579 -6.720 13.908 1.00 75.05 C ATOM 0 H LEU A 39 -0.086 -3.333 11.558 1.00 14.23 H new ATOM 0 HA LEU A 39 -2.879 -3.543 11.205 1.00 34.43 H new ATOM 0 HB2 LEU A 39 -1.252 -5.307 11.994 1.00 22.53 H new ATOM 0 HB3 LEU A 39 -1.155 -4.466 13.528 1.00 22.53 H new ATOM 0 HG LEU A 39 -3.567 -4.829 13.896 1.00 21.25 H new ATOM 0 HD11 LEU A 39 -4.815 -6.355 12.415 1.00 12.42 H new ATOM 0 HD12 LEU A 39 -4.303 -4.880 11.561 1.00 12.42 H new ATOM 0 HD13 LEU A 39 -3.425 -6.407 11.305 1.00 12.42 H new ATOM 0 HD21 LEU A 39 -3.454 -7.265 14.262 1.00 75.05 H new ATOM 0 HD22 LEU A 39 -2.013 -7.349 13.221 1.00 75.05 H new ATOM 0 HD23 LEU A 39 -1.950 -6.453 14.757 1.00 75.05 H new ATOM 659 N ASN A 40 -3.904 -1.835 12.610 1.00 43.24 N ATOM 660 CA ASN A 40 -4.605 -0.846 13.417 1.00 50.53 C ATOM 661 C ASN A 40 -6.106 -1.119 13.347 1.00 74.32 C ATOM 662 O ASN A 40 -6.548 -1.921 12.520 1.00 12.21 O ATOM 663 CB ASN A 40 -4.284 0.566 12.899 1.00 70.05 C ATOM 664 CG ASN A 40 -4.891 1.676 13.740 1.00 52.34 C ATOM 665 OD1 ASN A 40 -5.085 1.529 14.944 1.00 52.14 O ATOM 666 ND2 ASN A 40 -5.191 2.801 13.107 1.00 35.51 N ATOM 0 H ASN A 40 -4.395 -2.094 11.755 1.00 43.24 H new ATOM 0 HA ASN A 40 -4.281 -0.913 14.455 1.00 50.53 H new ATOM 0 HB2 ASN A 40 -3.202 0.695 12.868 1.00 70.05 H new ATOM 0 HB3 ASN A 40 -4.645 0.659 11.875 1.00 70.05 H new ATOM 0 HD21 ASN A 40 -5.598 3.583 13.621 1.00 35.51 H new ATOM 0 HD22 ASN A 40 -5.015 2.885 12.106 1.00 35.51 H new ATOM 673 N SER A 41 -6.881 -0.468 14.203 1.00 75.43 N ATOM 674 CA SER A 41 -8.325 -0.643 14.208 1.00 32.22 C ATOM 675 C SER A 41 -8.939 0.006 12.966 1.00 51.51 C ATOM 676 O SER A 41 -9.349 1.169 12.991 1.00 52.23 O ATOM 677 CB SER A 41 -8.929 -0.049 15.485 1.00 35.32 C ATOM 678 OG SER A 41 -10.317 -0.319 15.579 1.00 70.14 O ATOM 0 H SER A 41 -6.533 0.187 14.903 1.00 75.43 H new ATOM 0 HA SER A 41 -8.551 -1.709 14.187 1.00 32.22 H new ATOM 0 HB2 SER A 41 -8.418 -0.460 16.356 1.00 35.32 H new ATOM 0 HB3 SER A 41 -8.765 1.029 15.499 1.00 35.32 H new ATOM 0 HG SER A 41 -10.671 0.072 16.405 1.00 70.14 H new ATOM 684 N LEU A 42 -8.955 -0.739 11.870 1.00 52.14 N ATOM 685 CA LEU A 42 -9.518 -0.261 10.619 1.00 62.32 C ATOM 686 C LEU A 42 -10.626 -1.196 10.161 1.00 42.02 C ATOM 687 O LEU A 42 -11.789 -0.811 10.102 1.00 45.01 O ATOM 688 CB LEU A 42 -8.429 -0.168 9.546 1.00 71.30 C ATOM 689 CG LEU A 42 -7.251 0.749 9.894 1.00 1.21 C ATOM 690 CD1 LEU A 42 -6.183 0.675 8.819 1.00 35.30 C ATOM 691 CD2 LEU A 42 -7.716 2.187 10.067 1.00 54.12 C ATOM 0 H LEU A 42 -8.580 -1.686 11.824 1.00 52.14 H new ATOM 0 HA LEU A 42 -9.934 0.734 10.777 1.00 62.32 H new ATOM 0 HB2 LEU A 42 -8.045 -1.170 9.352 1.00 71.30 H new ATOM 0 HB3 LEU A 42 -8.882 0.184 8.620 1.00 71.30 H new ATOM 0 HG LEU A 42 -6.826 0.407 10.837 1.00 1.21 H new ATOM 0 HD11 LEU A 42 -5.355 1.332 9.083 1.00 35.30 H new ATOM 0 HD12 LEU A 42 -5.821 -0.350 8.736 1.00 35.30 H new ATOM 0 HD13 LEU A 42 -6.605 0.989 7.864 1.00 35.30 H new ATOM 0 HD21 LEU A 42 -6.862 2.818 10.313 1.00 54.12 H new ATOM 0 HD22 LEU A 42 -8.170 2.537 9.140 1.00 54.12 H new ATOM 0 HD23 LEU A 42 -8.449 2.238 10.872 1.00 54.12 H new ATOM 703 N GLY A 43 -10.249 -2.432 9.838 1.00 63.20 N ATOM 704 CA GLY A 43 -11.222 -3.445 9.466 1.00 52.24 C ATOM 705 C GLY A 43 -12.004 -3.091 8.215 1.00 24.22 C ATOM 706 O GLY A 43 -13.158 -3.493 8.063 1.00 10.30 O ATOM 0 H GLY A 43 -9.280 -2.750 9.828 1.00 63.20 H new ATOM 0 HA2 GLY A 43 -10.708 -4.393 9.309 1.00 52.24 H new ATOM 0 HA3 GLY A 43 -11.918 -3.592 10.292 1.00 52.24 H new ATOM 710 N HIS A 44 -11.381 -2.345 7.315 1.00 64.12 N ATOM 711 CA HIS A 44 -12.034 -1.942 6.076 1.00 15.23 C ATOM 712 C HIS A 44 -11.092 -2.152 4.901 1.00 74.55 C ATOM 713 O HIS A 44 -9.990 -1.606 4.885 1.00 2.04 O ATOM 714 CB HIS A 44 -12.474 -0.471 6.136 1.00 21.34 C ATOM 715 CG HIS A 44 -13.554 -0.196 7.140 1.00 2.44 C ATOM 716 ND1 HIS A 44 -13.412 0.707 8.171 1.00 51.45 N ATOM 717 CD2 HIS A 44 -14.800 -0.709 7.263 1.00 54.13 C ATOM 718 CE1 HIS A 44 -14.523 0.733 8.886 1.00 75.32 C ATOM 719 NE2 HIS A 44 -15.381 -0.116 8.356 1.00 13.11 N ATOM 0 H HIS A 44 -10.425 -2.006 7.418 1.00 64.12 H new ATOM 0 HA HIS A 44 -12.923 -2.559 5.944 1.00 15.23 H new ATOM 0 HB2 HIS A 44 -11.608 0.147 6.372 1.00 21.34 H new ATOM 0 HB3 HIS A 44 -12.824 -0.167 5.149 1.00 21.34 H new ATOM 0 HD2 HIS A 44 -15.254 -1.449 6.620 1.00 54.13 H new ATOM 0 HE1 HIS A 44 -14.698 1.346 9.757 1.00 75.32 H new ATOM 0 HE2 HIS A 44 -16.323 -0.302 8.702 1.00 13.11 H new ATOM 728 N PRO A 45 -11.498 -2.968 3.915 1.00 24.42 N ATOM 729 CA PRO A 45 -10.703 -3.215 2.715 1.00 33.01 C ATOM 730 C PRO A 45 -10.701 -2.005 1.792 1.00 15.30 C ATOM 731 O PRO A 45 -11.644 -1.787 1.029 1.00 5.31 O ATOM 732 CB PRO A 45 -11.399 -4.405 2.034 1.00 22.21 C ATOM 733 CG PRO A 45 -12.431 -4.884 3.002 1.00 43.15 C ATOM 734 CD PRO A 45 -12.761 -3.715 3.885 1.00 55.15 C ATOM 0 HA PRO A 45 -9.658 -3.415 2.954 1.00 33.01 H new ATOM 0 HB2 PRO A 45 -11.857 -4.103 1.092 1.00 22.21 H new ATOM 0 HB3 PRO A 45 -10.685 -5.195 1.802 1.00 22.21 H new ATOM 0 HG2 PRO A 45 -13.319 -5.238 2.479 1.00 43.15 H new ATOM 0 HG3 PRO A 45 -12.053 -5.720 3.590 1.00 43.15 H new ATOM 0 HD2 PRO A 45 -13.576 -3.117 3.477 1.00 55.15 H new ATOM 0 HD3 PRO A 45 -13.067 -4.034 4.881 1.00 55.15 H new ATOM 742 N ARG A 46 -9.655 -1.203 1.888 1.00 5.03 N ATOM 743 CA ARG A 46 -9.566 0.018 1.110 1.00 1.31 C ATOM 744 C ARG A 46 -8.121 0.299 0.727 1.00 24.04 C ATOM 745 O ARG A 46 -7.214 0.205 1.554 1.00 52.10 O ATOM 746 CB ARG A 46 -10.150 1.186 1.908 1.00 41.34 C ATOM 747 CG ARG A 46 -10.177 2.501 1.146 1.00 32.01 C ATOM 748 CD ARG A 46 -10.869 3.590 1.946 1.00 72.45 C ATOM 749 NE ARG A 46 -10.189 3.866 3.207 1.00 70.42 N ATOM 750 CZ ARG A 46 -10.578 4.787 4.085 1.00 32.24 C ATOM 751 NH1 ARG A 46 -11.654 5.531 3.851 1.00 3.54 N ATOM 752 NH2 ARG A 46 -9.893 4.955 5.205 1.00 64.11 N ATOM 0 H ARG A 46 -8.856 -1.376 2.497 1.00 5.03 H new ATOM 0 HA ARG A 46 -10.143 -0.103 0.193 1.00 1.31 H new ATOM 0 HB2 ARG A 46 -11.166 0.933 2.213 1.00 41.34 H new ATOM 0 HB3 ARG A 46 -9.567 1.318 2.820 1.00 41.34 H new ATOM 0 HG2 ARG A 46 -9.158 2.810 0.914 1.00 32.01 H new ATOM 0 HG3 ARG A 46 -10.692 2.362 0.196 1.00 32.01 H new ATOM 0 HD2 ARG A 46 -10.913 4.503 1.352 1.00 72.45 H new ATOM 0 HD3 ARG A 46 -11.898 3.292 2.148 1.00 72.45 H new ATOM 0 HE ARG A 46 -9.360 3.316 3.431 1.00 70.42 H new ATOM 0 HH11 ARG A 46 -12.189 5.398 2.993 1.00 3.54 H new ATOM 0 HH12 ARG A 46 -11.945 6.235 4.530 1.00 3.54 H new ATOM 0 HH21 ARG A 46 -9.071 4.380 5.391 1.00 64.11 H new ATOM 0 HH22 ARG A 46 -10.187 5.660 5.882 1.00 64.11 H new ATOM 766 N ILE A 47 -7.911 0.625 -0.536 1.00 41.34 N ATOM 767 CA ILE A 47 -6.584 0.942 -1.025 1.00 31.21 C ATOM 768 C ILE A 47 -6.263 2.415 -0.769 1.00 73.32 C ATOM 769 O ILE A 47 -6.932 3.314 -1.280 1.00 11.31 O ATOM 770 CB ILE A 47 -6.441 0.603 -2.532 1.00 44.04 C ATOM 771 CG1 ILE A 47 -5.059 1.014 -3.051 1.00 42.45 C ATOM 772 CG2 ILE A 47 -7.549 1.257 -3.349 1.00 53.13 C ATOM 773 CD1 ILE A 47 -4.856 0.739 -4.526 1.00 22.44 C ATOM 0 H ILE A 47 -8.645 0.677 -1.242 1.00 41.34 H new ATOM 0 HA ILE A 47 -5.867 0.328 -0.480 1.00 31.21 H new ATOM 0 HB ILE A 47 -6.538 -0.477 -2.646 1.00 44.04 H new ATOM 0 HG12 ILE A 47 -4.913 2.078 -2.865 1.00 42.45 H new ATOM 0 HG13 ILE A 47 -4.295 0.483 -2.483 1.00 42.45 H new ATOM 0 HG21 ILE A 47 -7.424 1.002 -4.401 1.00 53.13 H new ATOM 0 HG22 ILE A 47 -8.518 0.898 -3.002 1.00 53.13 H new ATOM 0 HG23 ILE A 47 -7.499 2.339 -3.229 1.00 53.13 H new ATOM 0 HD11 ILE A 47 -3.856 1.056 -4.821 1.00 22.44 H new ATOM 0 HD12 ILE A 47 -4.969 -0.328 -4.716 1.00 22.44 H new ATOM 0 HD13 ILE A 47 -5.597 1.291 -5.104 1.00 22.44 H new ATOM 785 N GLY A 48 -5.245 2.655 0.042 1.00 60.22 N ATOM 786 CA GLY A 48 -4.857 4.010 0.373 1.00 72.41 C ATOM 787 C GLY A 48 -3.877 4.577 -0.629 1.00 12.43 C ATOM 788 O GLY A 48 -2.791 5.031 -0.263 1.00 11.44 O ATOM 0 H GLY A 48 -4.677 1.930 0.480 1.00 60.22 H new ATOM 0 HA2 GLY A 48 -5.744 4.642 0.411 1.00 72.41 H new ATOM 0 HA3 GLY A 48 -4.410 4.027 1.367 1.00 72.41 H new ATOM 792 N LEU A 49 -4.259 4.536 -1.898 1.00 24.42 N ATOM 793 CA LEU A 49 -3.413 5.019 -2.978 1.00 20.31 C ATOM 794 C LEU A 49 -3.140 6.508 -2.822 1.00 32.43 C ATOM 795 O LEU A 49 -4.045 7.334 -2.939 1.00 40.12 O ATOM 796 CB LEU A 49 -4.076 4.749 -4.330 1.00 24.20 C ATOM 797 CG LEU A 49 -3.308 5.266 -5.547 1.00 11.21 C ATOM 798 CD1 LEU A 49 -1.980 4.542 -5.700 1.00 25.53 C ATOM 799 CD2 LEU A 49 -4.148 5.111 -6.801 1.00 34.44 C ATOM 0 H LEU A 49 -5.159 4.169 -2.206 1.00 24.42 H new ATOM 0 HA LEU A 49 -2.464 4.485 -2.934 1.00 20.31 H new ATOM 0 HB2 LEU A 49 -4.217 3.674 -4.439 1.00 24.20 H new ATOM 0 HB3 LEU A 49 -5.068 5.202 -4.327 1.00 24.20 H new ATOM 0 HG LEU A 49 -3.097 6.325 -5.395 1.00 11.21 H new ATOM 0 HD11 LEU A 49 -1.453 4.928 -6.573 1.00 25.53 H new ATOM 0 HD12 LEU A 49 -1.373 4.703 -4.809 1.00 25.53 H new ATOM 0 HD13 LEU A 49 -2.160 3.475 -5.828 1.00 25.53 H new ATOM 0 HD21 LEU A 49 -3.590 5.483 -7.661 1.00 34.44 H new ATOM 0 HD22 LEU A 49 -4.387 4.058 -6.951 1.00 34.44 H new ATOM 0 HD23 LEU A 49 -5.071 5.681 -6.693 1.00 34.44 H new ATOM 811 N THR A 50 -1.893 6.843 -2.553 1.00 13.44 N ATOM 812 CA THR A 50 -1.505 8.223 -2.371 1.00 53.43 C ATOM 813 C THR A 50 -0.669 8.698 -3.555 1.00 72.44 C ATOM 814 O THR A 50 0.553 8.527 -3.588 1.00 55.03 O ATOM 815 CB THR A 50 -0.725 8.409 -1.053 1.00 62.01 C ATOM 816 OG1 THR A 50 -1.498 7.882 0.035 1.00 24.51 O ATOM 817 CG2 THR A 50 -0.417 9.879 -0.794 1.00 14.21 C ATOM 0 H THR A 50 -1.130 6.173 -2.456 1.00 13.44 H new ATOM 0 HA THR A 50 -2.411 8.826 -2.316 1.00 53.43 H new ATOM 0 HB THR A 50 0.221 7.874 -1.136 1.00 62.01 H new ATOM 0 HG1 THR A 50 -1.004 7.997 0.873 1.00 24.51 H new ATOM 0 HG21 THR A 50 0.133 9.976 0.142 1.00 14.21 H new ATOM 0 HG22 THR A 50 0.186 10.274 -1.612 1.00 14.21 H new ATOM 0 HG23 THR A 50 -1.349 10.440 -0.727 1.00 14.21 H new ATOM 825 N VAL A 51 -1.349 9.254 -4.547 1.00 44.11 N ATOM 826 CA VAL A 51 -0.688 9.782 -5.725 1.00 61.21 C ATOM 827 C VAL A 51 -0.799 11.306 -5.750 1.00 64.12 C ATOM 828 O VAL A 51 -1.845 11.869 -6.062 1.00 22.24 O ATOM 829 CB VAL A 51 -1.258 9.158 -7.026 1.00 74.42 C ATOM 830 CG1 VAL A 51 -2.777 9.257 -7.073 1.00 5.21 C ATOM 831 CG2 VAL A 51 -0.641 9.809 -8.256 1.00 44.43 C ATOM 0 H VAL A 51 -2.364 9.350 -4.556 1.00 44.11 H new ATOM 0 HA VAL A 51 0.366 9.510 -5.675 1.00 61.21 H new ATOM 0 HB VAL A 51 -0.993 8.101 -7.026 1.00 74.42 H new ATOM 0 HG11 VAL A 51 -3.142 8.810 -7.998 1.00 5.21 H new ATOM 0 HG12 VAL A 51 -3.203 8.727 -6.221 1.00 5.21 H new ATOM 0 HG13 VAL A 51 -3.075 10.305 -7.034 1.00 5.21 H new ATOM 0 HG21 VAL A 51 -1.057 9.354 -9.155 1.00 44.43 H new ATOM 0 HG22 VAL A 51 -0.863 10.876 -8.253 1.00 44.43 H new ATOM 0 HG23 VAL A 51 0.439 9.663 -8.242 1.00 44.43 H new ATOM 841 N ALA A 52 0.285 11.969 -5.385 1.00 61.03 N ATOM 842 CA ALA A 52 0.293 13.417 -5.280 1.00 11.54 C ATOM 843 C ALA A 52 0.699 14.067 -6.595 1.00 14.12 C ATOM 844 O ALA A 52 1.075 13.384 -7.550 1.00 33.33 O ATOM 845 CB ALA A 52 1.222 13.856 -4.156 1.00 31.13 C ATOM 0 H ALA A 52 1.174 11.525 -5.156 1.00 61.03 H new ATOM 0 HA ALA A 52 -0.721 13.745 -5.049 1.00 11.54 H new ATOM 0 HB1 ALA A 52 1.220 14.944 -4.086 1.00 31.13 H new ATOM 0 HB2 ALA A 52 0.878 13.431 -3.213 1.00 31.13 H new ATOM 0 HB3 ALA A 52 2.234 13.507 -4.363 1.00 31.13 H new ATOM 851 N LYS A 53 0.619 15.390 -6.628 1.00 72.21 N ATOM 852 CA LYS A 53 0.986 16.176 -7.804 1.00 53.12 C ATOM 853 C LYS A 53 2.431 15.916 -8.238 1.00 44.02 C ATOM 854 O LYS A 53 2.764 16.031 -9.417 1.00 22.30 O ATOM 855 CB LYS A 53 0.802 17.664 -7.499 1.00 22.24 C ATOM 856 CG LYS A 53 1.573 18.121 -6.268 1.00 34.22 C ATOM 857 CD LYS A 53 1.342 19.590 -5.963 1.00 14.14 C ATOM 858 CE LYS A 53 1.949 20.492 -7.026 1.00 11.05 C ATOM 859 NZ LYS A 53 1.746 21.927 -6.705 1.00 12.11 N ATOM 0 H LYS A 53 0.297 15.952 -5.840 1.00 72.21 H new ATOM 0 HA LYS A 53 0.334 15.875 -8.624 1.00 53.12 H new ATOM 0 HB2 LYS A 53 1.125 18.248 -8.361 1.00 22.24 H new ATOM 0 HB3 LYS A 53 -0.258 17.871 -7.354 1.00 22.24 H new ATOM 0 HG2 LYS A 53 1.272 17.521 -5.409 1.00 34.22 H new ATOM 0 HG3 LYS A 53 2.638 17.946 -6.422 1.00 34.22 H new ATOM 0 HD2 LYS A 53 0.271 19.782 -5.892 1.00 14.14 H new ATOM 0 HD3 LYS A 53 1.774 19.832 -4.992 1.00 14.14 H new ATOM 0 HE2 LYS A 53 3.016 20.285 -7.114 1.00 11.05 H new ATOM 0 HE3 LYS A 53 1.500 20.268 -7.994 1.00 11.05 H new ATOM 0 HZ1 LYS A 53 2.172 22.513 -7.451 1.00 12.11 H new ATOM 0 HZ2 LYS A 53 0.727 22.129 -6.646 1.00 12.11 H new ATOM 0 HZ3 LYS A 53 2.196 22.146 -5.793 1.00 12.11 H new ATOM 873 N LYS A 54 3.282 15.558 -7.283 1.00 21.33 N ATOM 874 CA LYS A 54 4.701 15.382 -7.556 1.00 22.01 C ATOM 875 C LYS A 54 5.035 13.927 -7.868 1.00 50.13 C ATOM 876 O LYS A 54 6.195 13.579 -8.085 1.00 64.52 O ATOM 877 CB LYS A 54 5.530 15.900 -6.369 1.00 53.31 C ATOM 878 CG LYS A 54 5.256 15.201 -5.042 1.00 34.34 C ATOM 879 CD LYS A 54 6.230 14.058 -4.785 1.00 43.22 C ATOM 880 CE LYS A 54 7.664 14.557 -4.685 1.00 30.12 C ATOM 881 NZ LYS A 54 7.855 15.501 -3.548 1.00 21.01 N ATOM 0 H LYS A 54 3.013 15.384 -6.315 1.00 21.33 H new ATOM 0 HA LYS A 54 4.955 15.964 -8.442 1.00 22.01 H new ATOM 0 HB2 LYS A 54 6.588 15.792 -6.609 1.00 53.31 H new ATOM 0 HB3 LYS A 54 5.338 16.966 -6.248 1.00 53.31 H new ATOM 0 HG2 LYS A 54 5.325 15.925 -4.230 1.00 34.34 H new ATOM 0 HG3 LYS A 54 4.236 14.816 -5.039 1.00 34.34 H new ATOM 0 HD2 LYS A 54 5.957 13.547 -3.862 1.00 43.22 H new ATOM 0 HD3 LYS A 54 6.154 13.326 -5.589 1.00 43.22 H new ATOM 0 HE2 LYS A 54 8.335 13.706 -4.565 1.00 30.12 H new ATOM 0 HE3 LYS A 54 7.940 15.052 -5.616 1.00 30.12 H new ATOM 0 HZ1 LYS A 54 8.872 15.656 -3.392 1.00 21.01 H new ATOM 0 HZ2 LYS A 54 7.397 16.408 -3.769 1.00 21.01 H new ATOM 0 HZ3 LYS A 54 7.430 15.099 -2.688 1.00 21.01 H new ATOM 895 N ASN A 55 4.013 13.082 -7.897 1.00 23.21 N ATOM 896 CA ASN A 55 4.195 11.673 -8.224 1.00 41.41 C ATOM 897 C ASN A 55 4.181 11.493 -9.735 1.00 3.02 C ATOM 898 O ASN A 55 5.045 10.829 -10.308 1.00 32.35 O ATOM 899 CB ASN A 55 3.091 10.814 -7.596 1.00 63.24 C ATOM 900 CG ASN A 55 3.136 10.779 -6.079 1.00 32.11 C ATOM 901 OD1 ASN A 55 3.591 11.718 -5.425 1.00 11.14 O ATOM 902 ND2 ASN A 55 2.632 9.702 -5.504 1.00 41.44 N ATOM 0 H ASN A 55 3.048 13.347 -7.698 1.00 23.21 H new ATOM 0 HA ASN A 55 5.155 11.349 -7.821 1.00 41.41 H new ATOM 0 HB2 ASN A 55 2.121 11.196 -7.913 1.00 63.24 H new ATOM 0 HB3 ASN A 55 3.173 9.796 -7.977 1.00 63.24 H new ATOM 0 HD21 ASN A 55 2.611 9.629 -4.487 1.00 41.44 H new ATOM 0 HD22 ASN A 55 2.264 8.943 -6.077 1.00 41.44 H new ATOM 909 N VAL A 56 3.184 12.090 -10.372 1.00 20.00 N ATOM 910 CA VAL A 56 3.067 12.054 -11.821 1.00 51.52 C ATOM 911 C VAL A 56 2.790 13.458 -12.349 1.00 75.32 C ATOM 912 O VAL A 56 1.758 14.053 -12.031 1.00 53.34 O ATOM 913 CB VAL A 56 1.936 11.108 -12.293 1.00 22.41 C ATOM 914 CG1 VAL A 56 1.932 10.998 -13.809 1.00 73.53 C ATOM 915 CG2 VAL A 56 2.067 9.729 -11.660 1.00 4.53 C ATOM 0 H VAL A 56 2.440 12.608 -9.904 1.00 20.00 H new ATOM 0 HA VAL A 56 4.011 11.675 -12.213 1.00 51.52 H new ATOM 0 HB VAL A 56 0.987 11.536 -11.970 1.00 22.41 H new ATOM 0 HG11 VAL A 56 1.131 10.329 -14.123 1.00 73.53 H new ATOM 0 HG12 VAL A 56 1.773 11.984 -14.245 1.00 73.53 H new ATOM 0 HG13 VAL A 56 2.889 10.601 -14.148 1.00 73.53 H new ATOM 0 HG21 VAL A 56 1.258 9.089 -12.012 1.00 4.53 H new ATOM 0 HG22 VAL A 56 3.025 9.290 -11.939 1.00 4.53 H new ATOM 0 HG23 VAL A 56 2.012 9.820 -10.575 1.00 4.53 H new ATOM 925 N ARG A 57 3.716 13.986 -13.145 1.00 65.52 N ATOM 926 CA ARG A 57 3.575 15.331 -13.697 1.00 22.33 C ATOM 927 C ARG A 57 2.367 15.404 -14.631 1.00 41.05 C ATOM 928 O ARG A 57 1.669 16.414 -14.683 1.00 64.13 O ATOM 929 CB ARG A 57 4.850 15.739 -14.438 1.00 41.02 C ATOM 930 CG ARG A 57 4.884 17.206 -14.832 1.00 12.05 C ATOM 931 CD ARG A 57 6.192 17.573 -15.510 1.00 62.23 C ATOM 932 NE ARG A 57 6.379 16.860 -16.773 1.00 40.14 N ATOM 933 CZ ARG A 57 7.552 16.750 -17.401 1.00 34.14 C ATOM 934 NH1 ARG A 57 8.651 17.269 -16.867 1.00 31.23 N ATOM 935 NH2 ARG A 57 7.629 16.106 -18.557 1.00 41.20 N ATOM 0 H ARG A 57 4.571 13.504 -13.422 1.00 65.52 H new ATOM 0 HA ARG A 57 3.415 16.027 -12.874 1.00 22.33 H new ATOM 0 HB2 ARG A 57 5.712 15.521 -13.807 1.00 41.02 H new ATOM 0 HB3 ARG A 57 4.949 15.128 -15.335 1.00 41.02 H new ATOM 0 HG2 ARG A 57 4.053 17.422 -15.503 1.00 12.05 H new ATOM 0 HG3 ARG A 57 4.747 17.825 -13.945 1.00 12.05 H new ATOM 0 HD2 ARG A 57 6.215 18.647 -15.694 1.00 62.23 H new ATOM 0 HD3 ARG A 57 7.022 17.347 -14.841 1.00 62.23 H new ATOM 0 HE ARG A 57 5.564 16.420 -17.200 1.00 40.14 H new ATOM 0 HH11 ARG A 57 8.602 17.755 -15.972 1.00 31.23 H new ATOM 0 HH12 ARG A 57 9.544 17.181 -17.352 1.00 31.23 H new ATOM 0 HH21 ARG A 57 6.791 15.694 -18.968 1.00 41.20 H new ATOM 0 HH22 ARG A 57 8.526 16.023 -19.036 1.00 41.20 H new ATOM 949 N ARG A 58 2.124 14.320 -15.356 1.00 21.43 N ATOM 950 CA ARG A 58 0.962 14.225 -16.230 1.00 42.34 C ATOM 951 C ARG A 58 -0.303 14.049 -15.396 1.00 15.40 C ATOM 952 O ARG A 58 -0.483 13.023 -14.737 1.00 53.12 O ATOM 953 CB ARG A 58 1.119 13.046 -17.195 1.00 13.10 C ATOM 954 CG ARG A 58 2.257 13.198 -18.195 1.00 53.31 C ATOM 955 CD ARG A 58 1.832 13.972 -19.435 1.00 70.32 C ATOM 956 NE ARG A 58 1.494 15.364 -19.145 1.00 70.32 N ATOM 957 CZ ARG A 58 0.417 15.985 -19.629 1.00 13.31 C ATOM 958 NH1 ARG A 58 -0.436 15.335 -20.410 1.00 4.32 N ATOM 959 NH2 ARG A 58 0.200 17.261 -19.340 1.00 42.03 N ATOM 0 H ARG A 58 2.719 13.491 -15.356 1.00 21.43 H new ATOM 0 HA ARG A 58 0.883 15.145 -16.809 1.00 42.34 H new ATOM 0 HB2 ARG A 58 1.280 12.137 -16.615 1.00 13.10 H new ATOM 0 HB3 ARG A 58 0.186 12.914 -17.743 1.00 13.10 H new ATOM 0 HG2 ARG A 58 3.092 13.710 -17.717 1.00 53.31 H new ATOM 0 HG3 ARG A 58 2.614 12.211 -18.489 1.00 53.31 H new ATOM 0 HD2 ARG A 58 2.637 13.944 -20.169 1.00 70.32 H new ATOM 0 HD3 ARG A 58 0.971 13.480 -19.887 1.00 70.32 H new ATOM 0 HE ARG A 58 2.119 15.892 -18.536 1.00 70.32 H new ATOM 0 HH11 ARG A 58 -0.270 14.356 -20.643 1.00 4.32 H new ATOM 0 HH12 ARG A 58 -1.258 15.814 -20.777 1.00 4.32 H new ATOM 0 HH21 ARG A 58 0.857 17.768 -18.747 1.00 42.03 H new ATOM 0 HH22 ARG A 58 -0.624 17.735 -19.711 1.00 42.03 H new ATOM 973 N ALA A 59 -1.172 15.051 -15.422 1.00 14.51 N ATOM 974 CA ALA A 59 -2.400 15.022 -14.637 1.00 51.11 C ATOM 975 C ALA A 59 -3.319 13.893 -15.091 1.00 54.10 C ATOM 976 O ALA A 59 -4.043 13.306 -14.292 1.00 25.11 O ATOM 977 CB ALA A 59 -3.117 16.355 -14.730 1.00 62.24 C ATOM 0 H ALA A 59 -1.049 15.896 -15.980 1.00 14.51 H new ATOM 0 HA ALA A 59 -2.130 14.838 -13.597 1.00 51.11 H new ATOM 0 HB1 ALA A 59 -4.032 16.318 -14.139 1.00 62.24 H new ATOM 0 HB2 ALA A 59 -2.469 17.144 -14.347 1.00 62.24 H new ATOM 0 HB3 ALA A 59 -3.366 16.563 -15.771 1.00 62.24 H new ATOM 983 N HIS A 60 -3.282 13.594 -16.377 1.00 13.21 N ATOM 984 CA HIS A 60 -4.069 12.506 -16.933 1.00 33.31 C ATOM 985 C HIS A 60 -3.574 11.162 -16.407 1.00 1.32 C ATOM 986 O HIS A 60 -4.362 10.263 -16.116 1.00 34.35 O ATOM 987 CB HIS A 60 -3.981 12.536 -18.460 1.00 61.13 C ATOM 988 CG HIS A 60 -4.848 11.526 -19.145 1.00 13.41 C ATOM 989 ND1 HIS A 60 -4.412 10.268 -19.496 1.00 71.31 N ATOM 990 CD2 HIS A 60 -6.133 11.606 -19.559 1.00 42.04 C ATOM 991 CE1 HIS A 60 -5.389 9.620 -20.096 1.00 64.30 C ATOM 992 NE2 HIS A 60 -6.446 10.408 -20.147 1.00 13.14 N ATOM 0 H HIS A 60 -2.712 14.092 -17.060 1.00 13.21 H new ATOM 0 HA HIS A 60 -5.108 12.633 -16.628 1.00 33.31 H new ATOM 0 HB2 HIS A 60 -4.257 13.531 -18.809 1.00 61.13 H new ATOM 0 HB3 HIS A 60 -2.945 12.370 -18.756 1.00 61.13 H new ATOM 0 HD1 HIS A 60 -3.479 9.896 -19.319 1.00 71.31 H new ATOM 0 HD2 HIS A 60 -6.790 12.456 -19.447 1.00 42.04 H new ATOM 0 HE1 HIS A 60 -5.334 8.613 -20.482 1.00 64.30 H new ATOM 1001 N GLU A 61 -2.263 11.045 -16.255 1.00 73.15 N ATOM 1002 CA GLU A 61 -1.650 9.771 -15.917 1.00 62.23 C ATOM 1003 C GLU A 61 -1.641 9.522 -14.411 1.00 32.11 C ATOM 1004 O GLU A 61 -1.500 8.382 -13.968 1.00 63.10 O ATOM 1005 CB GLU A 61 -0.232 9.701 -16.481 1.00 11.44 C ATOM 1006 CG GLU A 61 -0.182 9.843 -17.994 1.00 52.54 C ATOM 1007 CD GLU A 61 -0.981 8.768 -18.704 1.00 24.03 C ATOM 1008 OE1 GLU A 61 -2.199 8.961 -18.908 1.00 75.43 O ATOM 1009 OE2 GLU A 61 -0.390 7.727 -19.059 1.00 24.21 O ATOM 0 H GLU A 61 -1.605 11.817 -16.360 1.00 73.15 H new ATOM 0 HA GLU A 61 -2.254 8.985 -16.370 1.00 62.23 H new ATOM 0 HB2 GLU A 61 0.371 10.488 -16.028 1.00 11.44 H new ATOM 0 HB3 GLU A 61 0.219 8.750 -16.197 1.00 11.44 H new ATOM 0 HG2 GLU A 61 -0.566 10.823 -18.277 1.00 52.54 H new ATOM 0 HG3 GLU A 61 0.855 9.799 -18.326 1.00 52.54 H new ATOM 1016 N ARG A 62 -1.807 10.578 -13.619 1.00 4.31 N ATOM 1017 CA ARG A 62 -1.905 10.414 -12.170 1.00 63.42 C ATOM 1018 C ARG A 62 -3.265 9.817 -11.809 1.00 71.13 C ATOM 1019 O ARG A 62 -3.485 9.360 -10.687 1.00 75.40 O ATOM 1020 CB ARG A 62 -1.681 11.742 -11.430 1.00 65.42 C ATOM 1021 CG ARG A 62 -2.739 12.797 -11.704 1.00 73.11 C ATOM 1022 CD ARG A 62 -2.486 14.073 -10.915 1.00 63.02 C ATOM 1023 NE ARG A 62 -1.171 14.652 -11.198 1.00 55.33 N ATOM 1024 CZ ARG A 62 -0.895 15.951 -11.101 1.00 51.10 C ATOM 1025 NH1 ARG A 62 -1.849 16.820 -10.798 1.00 33.54 N ATOM 1026 NH2 ARG A 62 0.339 16.383 -11.325 1.00 71.22 N ATOM 0 H ARG A 62 -1.876 11.541 -13.948 1.00 4.31 H new ATOM 0 HA ARG A 62 -1.117 9.732 -11.851 1.00 63.42 H new ATOM 0 HB2 ARG A 62 -1.649 11.546 -10.358 1.00 65.42 H new ATOM 0 HB3 ARG A 62 -0.706 12.141 -11.710 1.00 65.42 H new ATOM 0 HG2 ARG A 62 -2.755 13.026 -12.769 1.00 73.11 H new ATOM 0 HG3 ARG A 62 -3.722 12.401 -11.448 1.00 73.11 H new ATOM 0 HD2 ARG A 62 -3.260 14.803 -11.152 1.00 63.02 H new ATOM 0 HD3 ARG A 62 -2.564 13.860 -9.849 1.00 63.02 H new ATOM 0 HE ARG A 62 -0.422 14.023 -11.487 1.00 55.33 H new ATOM 0 HH11 ARG A 62 -2.802 16.495 -10.637 1.00 33.54 H new ATOM 0 HH12 ARG A 62 -1.630 17.813 -10.726 1.00 33.54 H new ATOM 0 HH21 ARG A 62 1.074 15.720 -11.571 1.00 71.22 H new ATOM 0 HH22 ARG A 62 0.552 17.378 -11.251 1.00 71.22 H new ATOM 1040 N ASN A 63 -4.176 9.834 -12.776 1.00 31.21 N ATOM 1041 CA ASN A 63 -5.474 9.186 -12.630 1.00 2.11 C ATOM 1042 C ASN A 63 -5.402 7.777 -13.202 1.00 20.53 C ATOM 1043 O ASN A 63 -6.120 6.876 -12.772 1.00 52.04 O ATOM 1044 CB ASN A 63 -6.562 10.000 -13.335 1.00 1.02 C ATOM 1045 CG ASN A 63 -6.753 11.364 -12.703 1.00 10.52 C ATOM 1046 OD1 ASN A 63 -6.572 11.528 -11.493 1.00 60.22 O ATOM 1047 ND2 ASN A 63 -7.107 12.351 -13.510 1.00 12.22 N ATOM 0 H ASN A 63 -4.037 10.293 -13.676 1.00 31.21 H new ATOM 0 HA ASN A 63 -5.730 9.129 -11.572 1.00 2.11 H new ATOM 0 HB2 ASN A 63 -6.300 10.121 -14.386 1.00 1.02 H new ATOM 0 HB3 ASN A 63 -7.503 9.451 -13.303 1.00 1.02 H new ATOM 0 HD21 ASN A 63 -7.241 13.291 -13.138 1.00 12.22 H new ATOM 0 HD22 ASN A 63 -7.246 12.172 -14.504 1.00 12.22 H new ATOM 1054 N ARG A 64 -4.505 7.600 -14.164 1.00 60.53 N ATOM 1055 CA ARG A 64 -4.225 6.292 -14.748 1.00 75.04 C ATOM 1056 C ARG A 64 -3.751 5.311 -13.679 1.00 75.52 C ATOM 1057 O ARG A 64 -4.193 4.161 -13.638 1.00 73.13 O ATOM 1058 CB ARG A 64 -3.164 6.442 -15.841 1.00 53.11 C ATOM 1059 CG ARG A 64 -2.501 5.141 -16.267 1.00 1.01 C ATOM 1060 CD ARG A 64 -1.413 5.403 -17.293 1.00 72.34 C ATOM 1061 NE ARG A 64 -0.560 4.239 -17.516 1.00 40.35 N ATOM 1062 CZ ARG A 64 0.482 4.236 -18.350 1.00 44.20 C ATOM 1063 NH1 ARG A 64 0.770 5.315 -19.069 1.00 22.15 N ATOM 1064 NH2 ARG A 64 1.239 3.154 -18.470 1.00 60.15 N ATOM 0 H ARG A 64 -3.951 8.358 -14.562 1.00 60.53 H new ATOM 0 HA ARG A 64 -5.142 5.895 -15.184 1.00 75.04 H new ATOM 0 HB2 ARG A 64 -3.625 6.902 -16.715 1.00 53.11 H new ATOM 0 HB3 ARG A 64 -2.394 7.128 -15.489 1.00 53.11 H new ATOM 0 HG2 ARG A 64 -2.074 4.643 -15.397 1.00 1.01 H new ATOM 0 HG3 ARG A 64 -3.248 4.467 -16.686 1.00 1.01 H new ATOM 0 HD2 ARG A 64 -1.872 5.699 -18.236 1.00 72.34 H new ATOM 0 HD3 ARG A 64 -0.799 6.240 -16.961 1.00 72.34 H new ATOM 0 HE ARG A 64 -0.772 3.381 -17.006 1.00 40.35 H new ATOM 0 HH11 ARG A 64 0.193 6.152 -18.986 1.00 22.15 H new ATOM 0 HH12 ARG A 64 1.568 5.306 -19.705 1.00 22.15 H new ATOM 0 HH21 ARG A 64 1.026 2.319 -17.924 1.00 60.15 H new ATOM 0 HH22 ARG A 64 2.034 3.156 -19.109 1.00 60.15 H new ATOM 1078 N ILE A 65 -2.860 5.782 -12.811 1.00 33.24 N ATOM 1079 CA ILE A 65 -2.339 4.970 -11.713 1.00 50.34 C ATOM 1080 C ILE A 65 -3.475 4.472 -10.818 1.00 52.01 C ATOM 1081 O ILE A 65 -3.427 3.354 -10.293 1.00 22.30 O ATOM 1082 CB ILE A 65 -1.322 5.771 -10.862 1.00 31.12 C ATOM 1083 CG1 ILE A 65 -0.157 6.258 -11.735 1.00 2.31 C ATOM 1084 CG2 ILE A 65 -0.799 4.932 -9.703 1.00 51.32 C ATOM 1085 CD1 ILE A 65 0.630 5.141 -12.392 1.00 62.54 C ATOM 0 H ILE A 65 -2.481 6.728 -12.847 1.00 33.24 H new ATOM 0 HA ILE A 65 -1.831 4.112 -12.153 1.00 50.34 H new ATOM 0 HB ILE A 65 -1.837 6.638 -10.449 1.00 31.12 H new ATOM 0 HG12 ILE A 65 -0.548 6.918 -12.510 1.00 2.31 H new ATOM 0 HG13 ILE A 65 0.519 6.853 -11.121 1.00 2.31 H new ATOM 0 HG21 ILE A 65 -0.087 5.518 -9.122 1.00 51.32 H new ATOM 0 HG22 ILE A 65 -1.631 4.635 -9.065 1.00 51.32 H new ATOM 0 HG23 ILE A 65 -0.304 4.042 -10.092 1.00 51.32 H new ATOM 0 HD11 ILE A 65 1.435 5.567 -12.991 1.00 62.54 H new ATOM 0 HD12 ILE A 65 1.053 4.493 -11.624 1.00 62.54 H new ATOM 0 HD13 ILE A 65 -0.031 4.559 -13.034 1.00 62.54 H new ATOM 1097 N LYS A 66 -4.513 5.296 -10.678 1.00 0.34 N ATOM 1098 CA LYS A 66 -5.659 4.954 -9.847 1.00 14.24 C ATOM 1099 C LYS A 66 -6.427 3.780 -10.443 1.00 24.04 C ATOM 1100 O LYS A 66 -6.771 2.833 -9.743 1.00 4.31 O ATOM 1101 CB LYS A 66 -6.601 6.153 -9.693 1.00 41.11 C ATOM 1102 CG LYS A 66 -5.959 7.382 -9.067 1.00 64.14 C ATOM 1103 CD LYS A 66 -6.998 8.458 -8.783 1.00 20.41 C ATOM 1104 CE LYS A 66 -6.377 9.711 -8.186 1.00 41.54 C ATOM 1105 NZ LYS A 66 -5.556 10.455 -9.177 1.00 10.22 N ATOM 0 H LYS A 66 -4.580 6.207 -11.132 1.00 0.34 H new ATOM 0 HA LYS A 66 -5.281 4.672 -8.864 1.00 14.24 H new ATOM 0 HB2 LYS A 66 -6.990 6.422 -10.675 1.00 41.11 H new ATOM 0 HB3 LYS A 66 -7.454 5.853 -9.083 1.00 41.11 H new ATOM 0 HG2 LYS A 66 -5.458 7.102 -8.140 1.00 64.14 H new ATOM 0 HG3 LYS A 66 -5.195 7.778 -9.736 1.00 64.14 H new ATOM 0 HD2 LYS A 66 -7.514 8.715 -9.708 1.00 20.41 H new ATOM 0 HD3 LYS A 66 -7.749 8.064 -8.098 1.00 20.41 H new ATOM 0 HE2 LYS A 66 -7.166 10.361 -7.808 1.00 41.54 H new ATOM 0 HE3 LYS A 66 -5.755 9.436 -7.334 1.00 41.54 H new ATOM 0 HZ1 LYS A 66 -5.152 11.301 -8.728 1.00 10.22 H new ATOM 0 HZ2 LYS A 66 -4.787 9.844 -9.519 1.00 10.22 H new ATOM 0 HZ3 LYS A 66 -6.154 10.741 -9.979 1.00 10.22 H new ATOM 1119 N ARG A 67 -6.664 3.841 -11.748 1.00 2.31 N ATOM 1120 CA ARG A 67 -7.467 2.830 -12.430 1.00 21.35 C ATOM 1121 C ARG A 67 -6.734 1.494 -12.503 1.00 22.34 C ATOM 1122 O ARG A 67 -7.352 0.447 -12.703 1.00 71.15 O ATOM 1123 CB ARG A 67 -7.838 3.300 -13.840 1.00 52.21 C ATOM 1124 CG ARG A 67 -8.633 4.597 -13.856 1.00 22.35 C ATOM 1125 CD ARG A 67 -9.145 4.935 -15.249 1.00 43.55 C ATOM 1126 NE ARG A 67 -8.061 5.161 -16.209 1.00 54.35 N ATOM 1127 CZ ARG A 67 -8.198 5.870 -17.332 1.00 54.52 C ATOM 1128 NH1 ARG A 67 -9.364 6.432 -17.633 1.00 74.33 N ATOM 1129 NH2 ARG A 67 -7.162 6.020 -18.150 1.00 20.42 N ATOM 0 H ARG A 67 -6.312 4.580 -12.357 1.00 2.31 H new ATOM 0 HA ARG A 67 -8.379 2.687 -11.850 1.00 21.35 H new ATOM 0 HB2 ARG A 67 -6.926 3.435 -14.422 1.00 52.21 H new ATOM 0 HB3 ARG A 67 -8.419 2.521 -14.333 1.00 52.21 H new ATOM 0 HG2 ARG A 67 -9.476 4.514 -13.170 1.00 22.35 H new ATOM 0 HG3 ARG A 67 -8.006 5.411 -13.493 1.00 22.35 H new ATOM 0 HD2 ARG A 67 -9.778 4.123 -15.606 1.00 43.55 H new ATOM 0 HD3 ARG A 67 -9.770 5.826 -15.196 1.00 43.55 H new ATOM 0 HE ARG A 67 -7.148 4.753 -16.007 1.00 54.35 H new ATOM 0 HH11 ARG A 67 -10.160 6.323 -17.005 1.00 74.33 H new ATOM 0 HH12 ARG A 67 -9.463 6.973 -18.492 1.00 74.33 H new ATOM 0 HH21 ARG A 67 -6.264 5.594 -17.920 1.00 20.42 H new ATOM 0 HH22 ARG A 67 -7.264 6.561 -19.009 1.00 20.42 H new ATOM 1143 N LEU A 68 -5.419 1.533 -12.341 1.00 20.10 N ATOM 1144 CA LEU A 68 -4.611 0.323 -12.405 1.00 73.34 C ATOM 1145 C LEU A 68 -4.581 -0.374 -11.046 1.00 64.23 C ATOM 1146 O LEU A 68 -5.003 -1.520 -10.918 1.00 13.13 O ATOM 1147 CB LEU A 68 -3.183 0.667 -12.874 1.00 1.41 C ATOM 1148 CG LEU A 68 -2.308 -0.521 -13.311 1.00 71.12 C ATOM 1149 CD1 LEU A 68 -1.759 -1.283 -12.113 1.00 22.32 C ATOM 1150 CD2 LEU A 68 -3.095 -1.456 -14.220 1.00 22.31 C ATOM 0 H LEU A 68 -4.890 2.387 -12.165 1.00 20.10 H new ATOM 0 HA LEU A 68 -5.059 -0.361 -13.126 1.00 73.34 H new ATOM 0 HB2 LEU A 68 -3.255 1.365 -13.708 1.00 1.41 H new ATOM 0 HB3 LEU A 68 -2.673 1.189 -12.065 1.00 1.41 H new ATOM 0 HG LEU A 68 -1.460 -0.120 -13.866 1.00 71.12 H new ATOM 0 HD11 LEU A 68 -1.146 -2.115 -12.461 1.00 22.32 H new ATOM 0 HD12 LEU A 68 -1.151 -0.614 -11.504 1.00 22.32 H new ATOM 0 HD13 LEU A 68 -2.586 -1.667 -11.516 1.00 22.32 H new ATOM 0 HD21 LEU A 68 -2.461 -2.291 -14.520 1.00 22.31 H new ATOM 0 HD22 LEU A 68 -3.966 -1.835 -13.685 1.00 22.31 H new ATOM 0 HD23 LEU A 68 -3.422 -0.912 -15.106 1.00 22.31 H new ATOM 1162 N THR A 69 -4.111 0.338 -10.031 1.00 1.14 N ATOM 1163 CA THR A 69 -3.887 -0.252 -8.717 1.00 35.41 C ATOM 1164 C THR A 69 -5.197 -0.649 -8.036 1.00 60.32 C ATOM 1165 O THR A 69 -5.251 -1.620 -7.278 1.00 61.21 O ATOM 1166 CB THR A 69 -3.110 0.719 -7.810 1.00 52.21 C ATOM 1167 OG1 THR A 69 -3.708 2.021 -7.864 1.00 1.51 O ATOM 1168 CG2 THR A 69 -1.652 0.808 -8.236 1.00 74.01 C ATOM 0 H THR A 69 -3.876 1.329 -10.092 1.00 1.14 H new ATOM 0 HA THR A 69 -3.298 -1.156 -8.872 1.00 35.41 H new ATOM 0 HB THR A 69 -3.151 0.341 -6.789 1.00 52.21 H new ATOM 0 HG1 THR A 69 -3.439 2.470 -8.692 1.00 1.51 H new ATOM 0 HG21 THR A 69 -1.123 1.500 -7.581 1.00 74.01 H new ATOM 0 HG22 THR A 69 -1.193 -0.178 -8.169 1.00 74.01 H new ATOM 0 HG23 THR A 69 -1.594 1.166 -9.264 1.00 74.01 H new ATOM 1176 N ARG A 70 -6.255 0.098 -8.324 1.00 45.32 N ATOM 1177 CA ARG A 70 -7.549 -0.141 -7.701 1.00 13.23 C ATOM 1178 C ARG A 70 -8.189 -1.420 -8.241 1.00 61.02 C ATOM 1179 O ARG A 70 -9.081 -1.987 -7.615 1.00 22.01 O ATOM 1180 CB ARG A 70 -8.468 1.064 -7.934 1.00 2.50 C ATOM 1181 CG ARG A 70 -9.780 1.012 -7.167 1.00 41.34 C ATOM 1182 CD ARG A 70 -10.536 2.325 -7.280 1.00 62.52 C ATOM 1183 NE ARG A 70 -10.847 2.668 -8.670 1.00 3.41 N ATOM 1184 CZ ARG A 70 -11.118 3.903 -9.088 1.00 71.44 C ATOM 1185 NH1 ARG A 70 -11.035 4.926 -8.251 1.00 44.22 N ATOM 1186 NH2 ARG A 70 -11.442 4.121 -10.353 1.00 44.43 N ATOM 0 H ARG A 70 -6.242 0.874 -8.985 1.00 45.32 H new ATOM 0 HA ARG A 70 -7.401 -0.271 -6.629 1.00 13.23 H new ATOM 0 HB2 ARG A 70 -7.934 1.972 -7.655 1.00 2.50 H new ATOM 0 HB3 ARG A 70 -8.687 1.138 -8.999 1.00 2.50 H new ATOM 0 HG2 ARG A 70 -10.397 0.200 -7.552 1.00 41.34 H new ATOM 0 HG3 ARG A 70 -9.582 0.793 -6.118 1.00 41.34 H new ATOM 0 HD2 ARG A 70 -11.462 2.259 -6.708 1.00 62.52 H new ATOM 0 HD3 ARG A 70 -9.942 3.123 -6.835 1.00 62.52 H new ATOM 0 HE ARG A 70 -10.857 1.916 -9.359 1.00 3.41 H new ATOM 0 HH11 ARG A 70 -10.762 4.770 -7.281 1.00 44.22 H new ATOM 0 HH12 ARG A 70 -11.244 5.870 -8.577 1.00 44.22 H new ATOM 0 HH21 ARG A 70 -11.485 3.342 -11.010 1.00 44.43 H new ATOM 0 HH22 ARG A 70 -11.649 5.068 -10.671 1.00 44.43 H new ATOM 1200 N GLU A 71 -7.708 -1.883 -9.388 1.00 43.42 N ATOM 1201 CA GLU A 71 -8.253 -3.076 -10.027 1.00 74.12 C ATOM 1202 C GLU A 71 -7.934 -4.327 -9.210 1.00 52.33 C ATOM 1203 O GLU A 71 -8.760 -5.236 -9.090 1.00 61.20 O ATOM 1204 CB GLU A 71 -7.683 -3.213 -11.445 1.00 44.20 C ATOM 1205 CG GLU A 71 -8.219 -4.410 -12.217 1.00 61.52 C ATOM 1206 CD GLU A 71 -7.576 -4.567 -13.582 1.00 41.33 C ATOM 1207 OE1 GLU A 71 -6.509 -5.213 -13.673 1.00 15.05 O ATOM 1208 OE2 GLU A 71 -8.136 -4.047 -14.574 1.00 34.22 O ATOM 0 H GLU A 71 -6.938 -1.449 -9.897 1.00 43.42 H new ATOM 0 HA GLU A 71 -9.337 -2.973 -10.082 1.00 74.12 H new ATOM 0 HB2 GLU A 71 -7.906 -2.304 -12.004 1.00 44.20 H new ATOM 0 HB3 GLU A 71 -6.598 -3.291 -11.383 1.00 44.20 H new ATOM 0 HG2 GLU A 71 -8.051 -5.316 -11.635 1.00 61.52 H new ATOM 0 HG3 GLU A 71 -9.297 -4.305 -12.339 1.00 61.52 H new ATOM 1215 N SER A 72 -6.742 -4.352 -8.631 1.00 60.42 N ATOM 1216 CA SER A 72 -6.256 -5.529 -7.925 1.00 22.31 C ATOM 1217 C SER A 72 -6.860 -5.644 -6.525 1.00 64.12 C ATOM 1218 O SER A 72 -7.527 -6.632 -6.205 1.00 41.25 O ATOM 1219 CB SER A 72 -4.733 -5.467 -7.834 1.00 40.25 C ATOM 1220 OG SER A 72 -4.177 -5.076 -9.075 1.00 25.12 O ATOM 0 H SER A 72 -6.091 -3.567 -8.637 1.00 60.42 H new ATOM 0 HA SER A 72 -6.563 -6.413 -8.485 1.00 22.31 H new ATOM 0 HB2 SER A 72 -4.438 -4.761 -7.058 1.00 40.25 H new ATOM 0 HB3 SER A 72 -4.340 -6.442 -7.544 1.00 40.25 H new ATOM 0 HG SER A 72 -4.426 -5.726 -9.765 1.00 25.12 H new ATOM 1226 N PHE A 73 -6.637 -4.622 -5.703 1.00 40.23 N ATOM 1227 CA PHE A 73 -7.046 -4.652 -4.298 1.00 34.53 C ATOM 1228 C PHE A 73 -8.562 -4.774 -4.139 1.00 73.14 C ATOM 1229 O PHE A 73 -9.048 -5.314 -3.148 1.00 50.01 O ATOM 1230 CB PHE A 73 -6.541 -3.403 -3.570 1.00 52.43 C ATOM 1231 CG PHE A 73 -5.048 -3.370 -3.392 1.00 54.41 C ATOM 1232 CD1 PHE A 73 -4.226 -2.825 -4.366 1.00 24.34 C ATOM 1233 CD2 PHE A 73 -4.468 -3.884 -2.244 1.00 22.13 C ATOM 1234 CE1 PHE A 73 -2.854 -2.795 -4.197 1.00 43.40 C ATOM 1235 CE2 PHE A 73 -3.096 -3.858 -2.069 1.00 65.12 C ATOM 1236 CZ PHE A 73 -2.288 -3.311 -3.048 1.00 54.12 C ATOM 0 H PHE A 73 -6.173 -3.758 -5.985 1.00 40.23 H new ATOM 0 HA PHE A 73 -6.598 -5.539 -3.851 1.00 34.53 H new ATOM 0 HB2 PHE A 73 -6.851 -2.518 -4.126 1.00 52.43 H new ATOM 0 HB3 PHE A 73 -7.016 -3.347 -2.591 1.00 52.43 H new ATOM 0 HD1 PHE A 73 -4.662 -2.419 -5.267 1.00 24.34 H new ATOM 0 HD2 PHE A 73 -5.095 -4.311 -1.475 1.00 22.13 H new ATOM 0 HE1 PHE A 73 -2.225 -2.368 -4.964 1.00 43.40 H new ATOM 0 HE2 PHE A 73 -2.657 -4.264 -1.170 1.00 65.12 H new ATOM 0 HZ PHE A 73 -1.217 -3.287 -2.915 1.00 54.12 H new ATOM 1246 N ARG A 74 -9.302 -4.285 -5.124 1.00 74.21 N ATOM 1247 CA ARG A 74 -10.759 -4.311 -5.068 1.00 70.13 C ATOM 1248 C ARG A 74 -11.302 -5.712 -5.366 1.00 34.52 C ATOM 1249 O ARG A 74 -12.383 -6.081 -4.908 1.00 3.40 O ATOM 1250 CB ARG A 74 -11.330 -3.285 -6.053 1.00 14.32 C ATOM 1251 CG ARG A 74 -12.847 -3.271 -6.138 1.00 23.33 C ATOM 1252 CD ARG A 74 -13.341 -2.128 -7.009 1.00 20.35 C ATOM 1253 NE ARG A 74 -14.754 -2.275 -7.348 1.00 50.43 N ATOM 1254 CZ ARG A 74 -15.650 -1.292 -7.286 1.00 72.02 C ATOM 1255 NH1 ARG A 74 -15.308 -0.089 -6.849 1.00 64.53 N ATOM 1256 NH2 ARG A 74 -16.903 -1.521 -7.653 1.00 52.43 N ATOM 0 H ARG A 74 -8.919 -3.866 -5.971 1.00 74.21 H new ATOM 0 HA ARG A 74 -11.073 -4.049 -4.058 1.00 70.13 H new ATOM 0 HB2 ARG A 74 -10.986 -2.292 -5.764 1.00 14.32 H new ATOM 0 HB3 ARG A 74 -10.925 -3.487 -7.044 1.00 14.32 H new ATOM 0 HG2 ARG A 74 -13.199 -4.219 -6.544 1.00 23.33 H new ATOM 0 HG3 ARG A 74 -13.269 -3.177 -5.137 1.00 23.33 H new ATOM 0 HD2 ARG A 74 -13.189 -1.183 -6.488 1.00 20.35 H new ATOM 0 HD3 ARG A 74 -12.750 -2.087 -7.924 1.00 20.35 H new ATOM 0 HE ARG A 74 -15.076 -3.193 -7.653 1.00 50.43 H new ATOM 0 HH11 ARG A 74 -14.348 0.093 -6.555 1.00 64.53 H new ATOM 0 HH12 ARG A 74 -16.004 0.655 -6.807 1.00 64.53 H new ATOM 0 HH21 ARG A 74 -17.177 -2.447 -7.981 1.00 52.43 H new ATOM 0 HH22 ARG A 74 -17.593 -0.771 -7.607 1.00 52.43 H new ATOM 1270 N LEU A 75 -10.538 -6.502 -6.110 1.00 50.45 N ATOM 1271 CA LEU A 75 -10.982 -7.835 -6.507 1.00 62.01 C ATOM 1272 C LEU A 75 -10.444 -8.887 -5.533 1.00 32.20 C ATOM 1273 O LEU A 75 -11.149 -9.829 -5.164 1.00 41.34 O ATOM 1274 CB LEU A 75 -10.518 -8.126 -7.944 1.00 62.52 C ATOM 1275 CG LEU A 75 -11.260 -9.248 -8.691 1.00 50.30 C ATOM 1276 CD1 LEU A 75 -10.843 -10.623 -8.191 1.00 63.40 C ATOM 1277 CD2 LEU A 75 -12.768 -9.069 -8.561 1.00 44.32 C ATOM 0 H LEU A 75 -9.611 -6.245 -6.450 1.00 50.45 H new ATOM 0 HA LEU A 75 -12.071 -7.877 -6.477 1.00 62.01 H new ATOM 0 HB2 LEU A 75 -10.612 -7.209 -8.525 1.00 62.52 H new ATOM 0 HB3 LEU A 75 -9.458 -8.378 -7.916 1.00 62.52 H new ATOM 0 HG LEU A 75 -10.987 -9.181 -9.744 1.00 50.30 H new ATOM 0 HD11 LEU A 75 -11.387 -11.391 -8.741 1.00 63.40 H new ATOM 0 HD12 LEU A 75 -9.772 -10.757 -8.345 1.00 63.40 H new ATOM 0 HD13 LEU A 75 -11.070 -10.708 -7.128 1.00 63.40 H new ATOM 0 HD21 LEU A 75 -13.277 -9.871 -9.095 1.00 44.32 H new ATOM 0 HD22 LEU A 75 -13.049 -9.099 -7.508 1.00 44.32 H new ATOM 0 HD23 LEU A 75 -13.058 -8.108 -8.987 1.00 44.32 H new ATOM 1289 N ARG A 76 -9.206 -8.706 -5.103 1.00 74.11 N ATOM 1290 CA ARG A 76 -8.538 -9.658 -4.218 1.00 43.24 C ATOM 1291 C ARG A 76 -8.682 -9.208 -2.759 1.00 22.42 C ATOM 1292 O ARG A 76 -7.738 -9.274 -1.973 1.00 54.33 O ATOM 1293 CB ARG A 76 -7.059 -9.738 -4.614 1.00 23.23 C ATOM 1294 CG ARG A 76 -6.330 -10.973 -4.110 1.00 53.24 C ATOM 1295 CD ARG A 76 -6.756 -12.230 -4.854 1.00 61.15 C ATOM 1296 NE ARG A 76 -5.917 -13.370 -4.495 1.00 71.34 N ATOM 1297 CZ ARG A 76 -6.010 -14.583 -5.039 1.00 43.51 C ATOM 1298 NH1 ARG A 76 -6.890 -14.822 -6.006 1.00 20.23 N ATOM 1299 NH2 ARG A 76 -5.201 -15.553 -4.621 1.00 61.31 N ATOM 0 H ARG A 76 -8.634 -7.900 -5.354 1.00 74.11 H new ATOM 0 HA ARG A 76 -8.994 -10.643 -4.315 1.00 43.24 H new ATOM 0 HB2 ARG A 76 -6.986 -9.709 -5.701 1.00 23.23 H new ATOM 0 HB3 ARG A 76 -6.548 -8.852 -4.237 1.00 23.23 H new ATOM 0 HG2 ARG A 76 -5.255 -10.831 -4.224 1.00 53.24 H new ATOM 0 HG3 ARG A 76 -6.524 -11.099 -3.045 1.00 53.24 H new ATOM 0 HD2 ARG A 76 -7.797 -12.456 -4.624 1.00 61.15 H new ATOM 0 HD3 ARG A 76 -6.697 -12.057 -5.929 1.00 61.15 H new ATOM 0 HE ARG A 76 -5.208 -13.227 -3.775 1.00 71.34 H new ATOM 0 HH11 ARG A 76 -7.500 -14.074 -6.337 1.00 20.23 H new ATOM 0 HH12 ARG A 76 -6.955 -15.753 -6.417 1.00 20.23 H new ATOM 0 HH21 ARG A 76 -4.516 -15.366 -3.889 1.00 61.31 H new ATOM 0 HH22 ARG A 76 -5.266 -16.484 -5.032 1.00 61.31 H new ATOM 1313 N GLN A 77 -9.892 -8.794 -2.394 1.00 64.42 N ATOM 1314 CA GLN A 77 -10.119 -8.119 -1.116 1.00 62.15 C ATOM 1315 C GLN A 77 -10.241 -9.094 0.059 1.00 3.04 C ATOM 1316 O GLN A 77 -10.361 -8.664 1.206 1.00 23.32 O ATOM 1317 CB GLN A 77 -11.377 -7.235 -1.177 1.00 43.55 C ATOM 1318 CG GLN A 77 -12.691 -7.985 -0.961 1.00 11.03 C ATOM 1319 CD GLN A 77 -13.117 -8.832 -2.146 1.00 13.41 C ATOM 1320 OE1 GLN A 77 -12.860 -8.348 -3.346 1.00 42.33 O flip ATOM 1321 NE2 GLN A 77 -13.719 -9.893 -1.982 1.00 71.00 N flip ATOM 0 H GLN A 77 -10.730 -8.913 -2.963 1.00 64.42 H new ATOM 0 HA GLN A 77 -9.240 -7.499 -0.943 1.00 62.15 H new ATOM 0 HB2 GLN A 77 -11.292 -6.452 -0.423 1.00 43.55 H new ATOM 0 HB3 GLN A 77 -11.411 -6.740 -2.148 1.00 43.55 H new ATOM 0 HG2 GLN A 77 -12.592 -8.626 -0.085 1.00 11.03 H new ATOM 0 HG3 GLN A 77 -13.478 -7.264 -0.741 1.00 11.03 H new ATOM 0 HE21 GLN A 77 -13.900 -10.236 -1.039 1.00 71.00 H new ATOM 0 HE22 GLN A 77 -14.037 -10.429 -2.789 1.00 71.00 H new ATOM 1330 N HIS A 78 -10.230 -10.396 -0.205 1.00 20.14 N ATOM 1331 CA HIS A 78 -10.408 -11.371 0.872 1.00 74.32 C ATOM 1332 C HIS A 78 -9.135 -12.150 1.172 1.00 23.43 C ATOM 1333 O HIS A 78 -9.008 -12.753 2.240 1.00 14.22 O ATOM 1334 CB HIS A 78 -11.563 -12.327 0.562 1.00 51.32 C ATOM 1335 CG HIS A 78 -12.893 -11.805 1.011 1.00 5.22 C ATOM 1336 ND1 HIS A 78 -14.030 -11.843 0.236 1.00 3.51 N ATOM 1337 CD2 HIS A 78 -13.263 -11.241 2.184 1.00 24.53 C ATOM 1338 CE1 HIS A 78 -15.038 -11.327 0.912 1.00 54.32 C ATOM 1339 NE2 HIS A 78 -14.601 -10.956 2.100 1.00 33.43 N ATOM 0 H HIS A 78 -10.103 -10.798 -1.134 1.00 20.14 H new ATOM 0 HA HIS A 78 -10.654 -10.802 1.769 1.00 74.32 H new ATOM 0 HB2 HIS A 78 -11.596 -12.512 -0.512 1.00 51.32 H new ATOM 0 HB3 HIS A 78 -11.373 -13.285 1.045 1.00 51.32 H new ATOM 0 HD2 HIS A 78 -12.621 -11.050 3.031 1.00 24.53 H new ATOM 0 HE1 HIS A 78 -16.052 -11.225 0.553 1.00 54.32 H new ATOM 0 HE2 HIS A 78 -15.165 -10.528 2.834 1.00 33.43 H new ATOM 1348 N GLU A 79 -8.193 -12.140 0.246 1.00 52.10 N ATOM 1349 CA GLU A 79 -6.923 -12.808 0.474 1.00 4.05 C ATOM 1350 C GLU A 79 -6.088 -12.017 1.474 1.00 73.04 C ATOM 1351 O GLU A 79 -5.514 -12.584 2.408 1.00 70.42 O ATOM 1352 CB GLU A 79 -6.164 -12.986 -0.838 1.00 74.24 C ATOM 1353 CG GLU A 79 -4.819 -13.669 -0.666 1.00 22.11 C ATOM 1354 CD GLU A 79 -4.148 -13.954 -1.986 1.00 63.52 C ATOM 1355 OE1 GLU A 79 -3.934 -13.005 -2.762 1.00 3.21 O ATOM 1356 OE2 GLU A 79 -3.844 -15.134 -2.260 1.00 51.51 O ATOM 0 H GLU A 79 -8.280 -11.682 -0.661 1.00 52.10 H new ATOM 0 HA GLU A 79 -7.119 -13.797 0.888 1.00 4.05 H new ATOM 0 HB2 GLU A 79 -6.775 -13.570 -1.527 1.00 74.24 H new ATOM 0 HB3 GLU A 79 -6.012 -12.009 -1.297 1.00 74.24 H new ATOM 0 HG2 GLU A 79 -4.169 -13.038 -0.059 1.00 22.11 H new ATOM 0 HG3 GLU A 79 -4.956 -14.603 -0.121 1.00 22.11 H new ATOM 1363 N LEU A 80 -6.050 -10.709 1.282 1.00 51.42 N ATOM 1364 CA LEU A 80 -5.325 -9.825 2.178 1.00 11.13 C ATOM 1365 C LEU A 80 -6.253 -9.297 3.270 1.00 44.13 C ATOM 1366 O LEU A 80 -7.471 -9.260 3.088 1.00 0.20 O ATOM 1367 CB LEU A 80 -4.682 -8.679 1.381 1.00 24.23 C ATOM 1368 CG LEU A 80 -5.599 -7.948 0.389 1.00 51.41 C ATOM 1369 CD1 LEU A 80 -6.447 -6.893 1.086 1.00 62.30 C ATOM 1370 CD2 LEU A 80 -4.776 -7.318 -0.725 1.00 32.45 C ATOM 0 H LEU A 80 -6.516 -10.234 0.509 1.00 51.42 H new ATOM 0 HA LEU A 80 -4.527 -10.385 2.665 1.00 11.13 H new ATOM 0 HB2 LEU A 80 -4.289 -7.948 2.088 1.00 24.23 H new ATOM 0 HB3 LEU A 80 -3.831 -9.079 0.830 1.00 24.23 H new ATOM 0 HG LEU A 80 -6.276 -8.684 -0.044 1.00 51.41 H new ATOM 0 HD11 LEU A 80 -7.083 -6.396 0.354 1.00 62.30 H new ATOM 0 HD12 LEU A 80 -7.069 -7.369 1.844 1.00 62.30 H new ATOM 0 HD13 LEU A 80 -5.796 -6.158 1.560 1.00 62.30 H new ATOM 0 HD21 LEU A 80 -5.439 -6.803 -1.421 1.00 32.45 H new ATOM 0 HD22 LEU A 80 -4.072 -6.603 -0.298 1.00 32.45 H new ATOM 0 HD23 LEU A 80 -4.226 -8.095 -1.256 1.00 32.45 H new ATOM 1382 N PRO A 81 -5.695 -8.915 4.431 1.00 23.44 N ATOM 1383 CA PRO A 81 -6.478 -8.392 5.554 1.00 43.33 C ATOM 1384 C PRO A 81 -7.098 -7.030 5.247 1.00 55.41 C ATOM 1385 O PRO A 81 -6.527 -6.229 4.507 1.00 70.03 O ATOM 1386 CB PRO A 81 -5.455 -8.266 6.693 1.00 50.43 C ATOM 1387 CG PRO A 81 -4.268 -9.052 6.250 1.00 40.13 C ATOM 1388 CD PRO A 81 -4.263 -8.979 4.753 1.00 34.13 C ATOM 0 HA PRO A 81 -7.318 -9.044 5.793 1.00 43.33 H new ATOM 0 HB2 PRO A 81 -5.191 -7.223 6.870 1.00 50.43 H new ATOM 0 HB3 PRO A 81 -5.858 -8.656 7.628 1.00 50.43 H new ATOM 0 HG2 PRO A 81 -3.349 -8.638 6.664 1.00 40.13 H new ATOM 0 HG3 PRO A 81 -4.334 -10.085 6.591 1.00 40.13 H new ATOM 0 HD2 PRO A 81 -3.727 -8.102 4.392 1.00 34.13 H new ATOM 0 HD3 PRO A 81 -3.785 -9.851 4.306 1.00 34.13 H new ATOM 1396 N ALA A 82 -8.272 -6.778 5.819 1.00 25.11 N ATOM 1397 CA ALA A 82 -8.979 -5.521 5.611 1.00 43.32 C ATOM 1398 C ALA A 82 -8.258 -4.366 6.300 1.00 34.44 C ATOM 1399 O ALA A 82 -8.435 -4.128 7.497 1.00 70.41 O ATOM 1400 CB ALA A 82 -10.408 -5.636 6.112 1.00 61.01 C ATOM 0 H ALA A 82 -8.755 -7.433 6.434 1.00 25.11 H new ATOM 0 HA ALA A 82 -8.998 -5.311 4.542 1.00 43.32 H new ATOM 0 HB1 ALA A 82 -10.927 -4.691 5.952 1.00 61.01 H new ATOM 0 HB2 ALA A 82 -10.922 -6.429 5.568 1.00 61.01 H new ATOM 0 HB3 ALA A 82 -10.403 -5.871 7.176 1.00 61.01 H new ATOM 1406 N MET A 83 -7.440 -3.664 5.535 1.00 43.01 N ATOM 1407 CA MET A 83 -6.633 -2.574 6.059 1.00 1.12 C ATOM 1408 C MET A 83 -6.460 -1.500 4.993 1.00 71.01 C ATOM 1409 O MET A 83 -6.568 -1.789 3.802 1.00 3.54 O ATOM 1410 CB MET A 83 -5.262 -3.115 6.485 1.00 0.03 C ATOM 1411 CG MET A 83 -4.357 -2.081 7.135 1.00 50.10 C ATOM 1412 SD MET A 83 -2.699 -2.711 7.455 1.00 51.24 S ATOM 1413 CE MET A 83 -3.066 -4.157 8.446 1.00 1.24 C ATOM 0 H MET A 83 -7.316 -3.832 4.537 1.00 43.01 H new ATOM 0 HA MET A 83 -7.132 -2.136 6.923 1.00 1.12 H new ATOM 0 HB2 MET A 83 -5.410 -3.940 7.181 1.00 0.03 H new ATOM 0 HB3 MET A 83 -4.757 -3.524 5.609 1.00 0.03 H new ATOM 0 HG2 MET A 83 -4.290 -1.205 6.489 1.00 50.10 H new ATOM 0 HG3 MET A 83 -4.804 -1.752 8.073 1.00 50.10 H new ATOM 0 HE1 MET A 83 -2.184 -4.436 9.023 1.00 1.24 H new ATOM 0 HE2 MET A 83 -3.888 -3.933 9.126 1.00 1.24 H new ATOM 0 HE3 MET A 83 -3.349 -4.983 7.794 1.00 1.24 H new ATOM 1423 N ASP A 84 -6.219 -0.264 5.419 1.00 72.11 N ATOM 1424 CA ASP A 84 -5.858 0.799 4.490 1.00 21.31 C ATOM 1425 C ASP A 84 -4.429 0.601 4.008 1.00 71.45 C ATOM 1426 O ASP A 84 -3.477 1.026 4.663 1.00 44.13 O ATOM 1427 CB ASP A 84 -5.986 2.185 5.136 1.00 12.52 C ATOM 1428 CG ASP A 84 -7.355 2.811 4.953 1.00 44.12 C ATOM 1429 OD1 ASP A 84 -7.713 3.141 3.804 1.00 41.02 O ATOM 1430 OD2 ASP A 84 -8.068 3.004 5.963 1.00 32.32 O ATOM 0 H ASP A 84 -6.267 0.024 6.396 1.00 72.11 H new ATOM 0 HA ASP A 84 -6.549 0.750 3.648 1.00 21.31 H new ATOM 0 HB2 ASP A 84 -5.772 2.102 6.202 1.00 12.52 H new ATOM 0 HB3 ASP A 84 -5.232 2.847 4.710 1.00 12.52 H new ATOM 1435 N PHE A 85 -4.283 -0.086 2.886 1.00 31.41 N ATOM 1436 CA PHE A 85 -2.975 -0.278 2.281 1.00 34.12 C ATOM 1437 C PHE A 85 -2.529 1.010 1.611 1.00 44.04 C ATOM 1438 O PHE A 85 -2.905 1.289 0.472 1.00 21.10 O ATOM 1439 CB PHE A 85 -3.000 -1.429 1.267 1.00 4.50 C ATOM 1440 CG PHE A 85 -2.990 -2.795 1.896 1.00 41.12 C ATOM 1441 CD1 PHE A 85 -4.152 -3.351 2.405 1.00 12.22 C ATOM 1442 CD2 PHE A 85 -1.813 -3.522 1.971 1.00 3.15 C ATOM 1443 CE1 PHE A 85 -4.139 -4.607 2.982 1.00 73.45 C ATOM 1444 CE2 PHE A 85 -1.796 -4.779 2.545 1.00 71.44 C ATOM 1445 CZ PHE A 85 -2.960 -5.323 3.050 1.00 63.44 C ATOM 0 H PHE A 85 -5.053 -0.519 2.377 1.00 31.41 H new ATOM 0 HA PHE A 85 -2.264 -0.541 3.065 1.00 34.12 H new ATOM 0 HB2 PHE A 85 -3.890 -1.333 0.645 1.00 4.50 H new ATOM 0 HB3 PHE A 85 -2.138 -1.337 0.607 1.00 4.50 H new ATOM 0 HD1 PHE A 85 -5.078 -2.797 2.350 1.00 12.22 H new ATOM 0 HD2 PHE A 85 -0.899 -3.102 1.577 1.00 3.15 H new ATOM 0 HE1 PHE A 85 -5.051 -5.028 3.380 1.00 73.45 H new ATOM 0 HE2 PHE A 85 -0.872 -5.336 2.599 1.00 71.44 H new ATOM 0 HZ PHE A 85 -2.949 -6.306 3.497 1.00 63.44 H new ATOM 1455 N VAL A 86 -1.758 1.805 2.336 1.00 25.33 N ATOM 1456 CA VAL A 86 -1.309 3.097 1.843 1.00 21.03 C ATOM 1457 C VAL A 86 -0.257 2.916 0.759 1.00 23.22 C ATOM 1458 O VAL A 86 0.904 2.618 1.039 1.00 74.13 O ATOM 1459 CB VAL A 86 -0.738 3.981 2.975 1.00 32.31 C ATOM 1460 CG1 VAL A 86 -0.362 5.357 2.448 1.00 72.14 C ATOM 1461 CG2 VAL A 86 -1.734 4.098 4.122 1.00 21.23 C ATOM 0 H VAL A 86 -1.429 1.576 3.274 1.00 25.33 H new ATOM 0 HA VAL A 86 -2.181 3.602 1.427 1.00 21.03 H new ATOM 0 HB VAL A 86 0.165 3.504 3.355 1.00 32.31 H new ATOM 0 HG11 VAL A 86 0.037 5.962 3.262 1.00 72.14 H new ATOM 0 HG12 VAL A 86 0.393 5.254 1.668 1.00 72.14 H new ATOM 0 HG13 VAL A 86 -1.246 5.843 2.035 1.00 72.14 H new ATOM 0 HG21 VAL A 86 -1.312 4.724 4.908 1.00 21.23 H new ATOM 0 HG22 VAL A 86 -2.658 4.547 3.757 1.00 21.23 H new ATOM 0 HG23 VAL A 86 -1.946 3.107 4.523 1.00 21.23 H new ATOM 1471 N VAL A 87 -0.681 3.068 -0.478 1.00 51.13 N ATOM 1472 CA VAL A 87 0.213 2.934 -1.608 1.00 13.03 C ATOM 1473 C VAL A 87 0.892 4.264 -1.898 1.00 61.45 C ATOM 1474 O VAL A 87 0.311 5.153 -2.527 1.00 22.34 O ATOM 1475 CB VAL A 87 -0.531 2.443 -2.866 1.00 12.50 C ATOM 1476 CG1 VAL A 87 0.427 2.294 -4.035 1.00 20.31 C ATOM 1477 CG2 VAL A 87 -1.243 1.128 -2.585 1.00 73.53 C ATOM 0 H VAL A 87 -1.646 3.286 -0.727 1.00 51.13 H new ATOM 0 HA VAL A 87 0.965 2.189 -1.349 1.00 13.03 H new ATOM 0 HB VAL A 87 -1.279 3.189 -3.134 1.00 12.50 H new ATOM 0 HG11 VAL A 87 -0.120 1.947 -4.912 1.00 20.31 H new ATOM 0 HG12 VAL A 87 0.888 3.258 -4.253 1.00 20.31 H new ATOM 0 HG13 VAL A 87 1.202 1.571 -3.781 1.00 20.31 H new ATOM 0 HG21 VAL A 87 -1.763 0.796 -3.484 1.00 73.53 H new ATOM 0 HG22 VAL A 87 -0.513 0.375 -2.289 1.00 73.53 H new ATOM 0 HG23 VAL A 87 -1.964 1.270 -1.780 1.00 73.53 H new ATOM 1487 N VAL A 88 2.109 4.407 -1.404 1.00 52.55 N ATOM 1488 CA VAL A 88 2.886 5.612 -1.628 1.00 14.30 C ATOM 1489 C VAL A 88 3.680 5.481 -2.920 1.00 13.43 C ATOM 1490 O VAL A 88 4.698 4.786 -2.973 1.00 73.21 O ATOM 1491 CB VAL A 88 3.853 5.905 -0.458 1.00 20.01 C ATOM 1492 CG1 VAL A 88 4.605 7.210 -0.685 1.00 14.15 C ATOM 1493 CG2 VAL A 88 3.102 5.943 0.864 1.00 61.32 C ATOM 0 H VAL A 88 2.582 3.699 -0.842 1.00 52.55 H new ATOM 0 HA VAL A 88 2.186 6.444 -1.699 1.00 14.30 H new ATOM 0 HB VAL A 88 4.583 5.097 -0.415 1.00 20.01 H new ATOM 0 HG11 VAL A 88 5.278 7.392 0.153 1.00 14.15 H new ATOM 0 HG12 VAL A 88 5.183 7.141 -1.607 1.00 14.15 H new ATOM 0 HG13 VAL A 88 3.893 8.031 -0.763 1.00 14.15 H new ATOM 0 HG21 VAL A 88 3.801 6.151 1.674 1.00 61.32 H new ATOM 0 HG22 VAL A 88 2.344 6.726 0.830 1.00 61.32 H new ATOM 0 HG23 VAL A 88 2.622 4.980 1.037 1.00 61.32 H new ATOM 1503 N ALA A 89 3.189 6.121 -3.964 1.00 53.52 N ATOM 1504 CA ALA A 89 3.858 6.087 -5.252 1.00 1.14 C ATOM 1505 C ALA A 89 4.949 7.148 -5.311 1.00 63.14 C ATOM 1506 O ALA A 89 4.850 8.189 -4.663 1.00 42.34 O ATOM 1507 CB ALA A 89 2.850 6.291 -6.374 1.00 70.40 C ATOM 0 H ALA A 89 2.330 6.671 -3.946 1.00 53.52 H new ATOM 0 HA ALA A 89 4.323 5.110 -5.379 1.00 1.14 H new ATOM 0 HB1 ALA A 89 3.364 6.263 -7.335 1.00 70.40 H new ATOM 0 HB2 ALA A 89 2.102 5.499 -6.340 1.00 70.40 H new ATOM 0 HB3 ALA A 89 2.361 7.257 -6.252 1.00 70.40 H new ATOM 1513 N LYS A 90 5.996 6.867 -6.066 1.00 0.25 N ATOM 1514 CA LYS A 90 7.062 7.832 -6.276 1.00 25.35 C ATOM 1515 C LYS A 90 7.016 8.339 -7.710 1.00 63.14 C ATOM 1516 O LYS A 90 6.225 7.851 -8.525 1.00 15.11 O ATOM 1517 CB LYS A 90 8.427 7.198 -5.982 1.00 4.43 C ATOM 1518 CG LYS A 90 8.583 6.646 -4.565 1.00 2.00 C ATOM 1519 CD LYS A 90 8.889 7.726 -3.531 1.00 22.23 C ATOM 1520 CE LYS A 90 7.662 8.548 -3.165 1.00 11.35 C ATOM 1521 NZ LYS A 90 7.913 9.438 -2.003 1.00 24.01 N ATOM 0 H LYS A 90 6.132 5.977 -6.545 1.00 0.25 H new ATOM 0 HA LYS A 90 6.920 8.670 -5.594 1.00 25.35 H new ATOM 0 HB2 LYS A 90 8.598 6.390 -6.693 1.00 4.43 H new ATOM 0 HB3 LYS A 90 9.203 7.943 -6.154 1.00 4.43 H new ATOM 0 HG2 LYS A 90 7.667 6.128 -4.280 1.00 2.00 H new ATOM 0 HG3 LYS A 90 9.383 5.906 -4.556 1.00 2.00 H new ATOM 0 HD2 LYS A 90 9.291 7.260 -2.632 1.00 22.23 H new ATOM 0 HD3 LYS A 90 9.663 8.388 -3.920 1.00 22.23 H new ATOM 0 HE2 LYS A 90 7.359 9.149 -4.023 1.00 11.35 H new ATOM 0 HE3 LYS A 90 6.833 7.879 -2.936 1.00 11.35 H new ATOM 0 HZ1 LYS A 90 7.051 9.979 -1.788 1.00 24.01 H new ATOM 0 HZ2 LYS A 90 8.177 8.864 -1.177 1.00 24.01 H new ATOM 0 HZ3 LYS A 90 8.687 10.095 -2.230 1.00 24.01 H new ATOM 1535 N LYS A 91 7.864 9.307 -8.021 1.00 3.20 N ATOM 1536 CA LYS A 91 7.920 9.861 -9.361 1.00 54.11 C ATOM 1537 C LYS A 91 8.651 8.885 -10.270 1.00 40.52 C ATOM 1538 O LYS A 91 9.872 8.747 -10.201 1.00 62.42 O ATOM 1539 CB LYS A 91 8.605 11.239 -9.344 1.00 12.13 C ATOM 1540 CG LYS A 91 8.527 12.001 -10.664 1.00 34.02 C ATOM 1541 CD LYS A 91 9.634 11.607 -11.636 1.00 4.52 C ATOM 1542 CE LYS A 91 10.927 12.378 -11.384 1.00 63.42 C ATOM 1543 NZ LYS A 91 11.493 12.151 -10.024 1.00 14.15 N ATOM 0 H LYS A 91 8.522 9.724 -7.362 1.00 3.20 H new ATOM 0 HA LYS A 91 6.910 10.007 -9.744 1.00 54.11 H new ATOM 0 HB2 LYS A 91 8.151 11.847 -8.561 1.00 12.13 H new ATOM 0 HB3 LYS A 91 9.653 11.106 -9.077 1.00 12.13 H new ATOM 0 HG2 LYS A 91 7.558 11.817 -11.129 1.00 34.02 H new ATOM 0 HG3 LYS A 91 8.587 13.071 -10.465 1.00 34.02 H new ATOM 0 HD2 LYS A 91 9.828 10.538 -11.548 1.00 4.52 H new ATOM 0 HD3 LYS A 91 9.299 11.788 -12.657 1.00 4.52 H new ATOM 0 HE2 LYS A 91 11.666 12.088 -12.131 1.00 63.42 H new ATOM 0 HE3 LYS A 91 10.739 13.443 -11.519 1.00 63.42 H new ATOM 0 HZ1 LYS A 91 12.466 12.516 -9.988 1.00 14.15 H new ATOM 0 HZ2 LYS A 91 10.911 12.647 -9.319 1.00 14.15 H new ATOM 0 HZ3 LYS A 91 11.497 11.132 -9.815 1.00 14.15 H new ATOM 1557 N GLY A 92 7.889 8.191 -11.097 1.00 10.51 N ATOM 1558 CA GLY A 92 8.464 7.182 -11.959 1.00 3.14 C ATOM 1559 C GLY A 92 7.521 6.022 -12.194 1.00 61.14 C ATOM 1560 O GLY A 92 7.814 5.121 -12.976 1.00 1.31 O ATOM 0 H GLY A 92 6.880 8.308 -11.187 1.00 10.51 H new ATOM 0 HA2 GLY A 92 8.728 7.632 -12.916 1.00 3.14 H new ATOM 0 HA3 GLY A 92 9.388 6.812 -11.515 1.00 3.14 H new ATOM 1564 N VAL A 93 6.381 6.037 -11.516 1.00 62.44 N ATOM 1565 CA VAL A 93 5.366 5.006 -11.706 1.00 35.12 C ATOM 1566 C VAL A 93 4.762 5.066 -13.112 1.00 23.31 C ATOM 1567 O VAL A 93 4.179 4.097 -13.589 1.00 51.22 O ATOM 1568 CB VAL A 93 4.242 5.117 -10.655 1.00 35.23 C ATOM 1569 CG1 VAL A 93 4.766 4.754 -9.274 1.00 71.42 C ATOM 1570 CG2 VAL A 93 3.643 6.518 -10.647 1.00 24.13 C ATOM 0 H VAL A 93 6.135 6.750 -10.830 1.00 62.44 H new ATOM 0 HA VAL A 93 5.868 4.046 -11.581 1.00 35.12 H new ATOM 0 HB VAL A 93 3.455 4.412 -10.924 1.00 35.23 H new ATOM 0 HG11 VAL A 93 3.960 4.838 -8.545 1.00 71.42 H new ATOM 0 HG12 VAL A 93 5.141 3.730 -9.284 1.00 71.42 H new ATOM 0 HG13 VAL A 93 5.574 5.433 -9.001 1.00 71.42 H new ATOM 0 HG21 VAL A 93 2.853 6.572 -9.898 1.00 24.13 H new ATOM 0 HG22 VAL A 93 4.420 7.244 -10.408 1.00 24.13 H new ATOM 0 HG23 VAL A 93 3.227 6.742 -11.630 1.00 24.13 H new ATOM 1580 N ALA A 94 4.923 6.207 -13.774 1.00 12.24 N ATOM 1581 CA ALA A 94 4.422 6.384 -15.133 1.00 21.31 C ATOM 1582 C ALA A 94 5.509 6.065 -16.157 1.00 21.02 C ATOM 1583 O ALA A 94 5.313 6.220 -17.362 1.00 73.32 O ATOM 1584 CB ALA A 94 3.910 7.804 -15.325 1.00 73.44 C ATOM 0 H ALA A 94 5.397 7.025 -13.391 1.00 12.24 H new ATOM 0 HA ALA A 94 3.595 5.690 -15.288 1.00 21.31 H new ATOM 0 HB1 ALA A 94 3.539 7.923 -16.343 1.00 73.44 H new ATOM 0 HB2 ALA A 94 3.102 7.998 -14.620 1.00 73.44 H new ATOM 0 HB3 ALA A 94 4.722 8.510 -15.150 1.00 73.44 H new ATOM 1590 N ASP A 95 6.659 5.621 -15.662 1.00 44.23 N ATOM 1591 CA ASP A 95 7.788 5.259 -16.518 1.00 62.22 C ATOM 1592 C ASP A 95 7.667 3.804 -16.957 1.00 13.41 C ATOM 1593 O ASP A 95 8.289 3.374 -17.931 1.00 73.20 O ATOM 1594 CB ASP A 95 9.105 5.493 -15.759 1.00 74.30 C ATOM 1595 CG ASP A 95 10.345 5.118 -16.550 1.00 62.00 C ATOM 1596 OD1 ASP A 95 10.637 5.786 -17.568 1.00 52.42 O ATOM 1597 OD2 ASP A 95 11.048 4.168 -16.142 1.00 73.23 O ATOM 0 H ASP A 95 6.837 5.502 -14.665 1.00 44.23 H new ATOM 0 HA ASP A 95 7.782 5.885 -17.410 1.00 62.22 H new ATOM 0 HB2 ASP A 95 9.169 6.544 -15.478 1.00 74.30 H new ATOM 0 HB3 ASP A 95 9.088 4.916 -14.834 1.00 74.30 H new ATOM 1602 N LEU A 96 6.827 3.060 -16.246 1.00 73.45 N ATOM 1603 CA LEU A 96 6.630 1.643 -16.518 1.00 32.55 C ATOM 1604 C LEU A 96 5.610 1.436 -17.632 1.00 75.53 C ATOM 1605 O LEU A 96 4.590 2.127 -17.697 1.00 65.30 O ATOM 1606 CB LEU A 96 6.166 0.921 -15.250 1.00 61.24 C ATOM 1607 CG LEU A 96 7.141 0.986 -14.071 1.00 60.24 C ATOM 1608 CD1 LEU A 96 6.554 0.287 -12.855 1.00 30.01 C ATOM 1609 CD2 LEU A 96 8.479 0.364 -14.448 1.00 24.32 C ATOM 0 H LEU A 96 6.268 3.419 -15.472 1.00 73.45 H new ATOM 0 HA LEU A 96 7.584 1.226 -16.842 1.00 32.55 H new ATOM 0 HB2 LEU A 96 5.213 1.347 -14.937 1.00 61.24 H new ATOM 0 HB3 LEU A 96 5.983 -0.126 -15.493 1.00 61.24 H new ATOM 0 HG LEU A 96 7.307 2.034 -13.820 1.00 60.24 H new ATOM 0 HD11 LEU A 96 7.260 0.343 -12.027 1.00 30.01 H new ATOM 0 HD12 LEU A 96 5.622 0.774 -12.570 1.00 30.01 H new ATOM 0 HD13 LEU A 96 6.359 -0.758 -13.095 1.00 30.01 H new ATOM 0 HD21 LEU A 96 9.159 0.420 -13.598 1.00 24.32 H new ATOM 0 HD22 LEU A 96 8.330 -0.679 -14.726 1.00 24.32 H new ATOM 0 HD23 LEU A 96 8.908 0.906 -15.291 1.00 24.32 H new ATOM 1621 N ASP A 97 5.900 0.486 -18.509 1.00 63.30 N ATOM 1622 CA ASP A 97 5.005 0.139 -19.604 1.00 62.13 C ATOM 1623 C ASP A 97 3.756 -0.570 -19.078 1.00 33.33 C ATOM 1624 O ASP A 97 3.756 -1.086 -17.961 1.00 62.23 O ATOM 1625 CB ASP A 97 5.741 -0.743 -20.614 1.00 73.25 C ATOM 1626 CG ASP A 97 4.847 -1.229 -21.734 1.00 71.22 C ATOM 1627 OD1 ASP A 97 4.407 -0.398 -22.557 1.00 0.13 O ATOM 1628 OD2 ASP A 97 4.570 -2.443 -21.788 1.00 62.12 O ATOM 0 H ASP A 97 6.759 -0.064 -18.482 1.00 63.30 H new ATOM 0 HA ASP A 97 4.686 1.055 -20.102 1.00 62.13 H new ATOM 0 HB2 ASP A 97 6.574 -0.183 -21.038 1.00 73.25 H new ATOM 0 HB3 ASP A 97 6.166 -1.603 -20.096 1.00 73.25 H new ATOM 1633 N ASN A 98 2.705 -0.598 -19.895 1.00 43.34 N ATOM 1634 CA ASN A 98 1.417 -1.173 -19.502 1.00 51.20 C ATOM 1635 C ASN A 98 1.561 -2.628 -19.044 1.00 11.51 C ATOM 1636 O ASN A 98 0.977 -3.028 -18.042 1.00 54.41 O ATOM 1637 CB ASN A 98 0.432 -1.087 -20.672 1.00 12.35 C ATOM 1638 CG ASN A 98 -0.975 -1.521 -20.297 1.00 35.24 C ATOM 1639 OD1 ASN A 98 -1.416 -1.347 -19.160 1.00 71.34 O ATOM 1640 ND2 ASN A 98 -1.692 -2.082 -21.255 1.00 45.12 N ATOM 0 H ASN A 98 2.720 -0.225 -20.844 1.00 43.34 H new ATOM 0 HA ASN A 98 1.037 -0.597 -18.658 1.00 51.20 H new ATOM 0 HB2 ASN A 98 0.404 -0.062 -21.041 1.00 12.35 H new ATOM 0 HB3 ASN A 98 0.793 -1.711 -21.490 1.00 12.35 H new ATOM 0 HD21 ASN A 98 -2.646 -2.388 -21.065 1.00 45.12 H new ATOM 0 HD22 ASN A 98 -1.291 -2.209 -22.184 1.00 45.12 H new ATOM 1647 N ARG A 99 2.347 -3.415 -19.767 1.00 4.52 N ATOM 1648 CA ARG A 99 2.554 -4.811 -19.397 1.00 74.14 C ATOM 1649 C ARG A 99 3.626 -4.930 -18.314 1.00 55.42 C ATOM 1650 O ARG A 99 3.660 -5.898 -17.555 1.00 4.25 O ATOM 1651 CB ARG A 99 2.929 -5.646 -20.624 1.00 61.23 C ATOM 1652 CG ARG A 99 3.089 -7.129 -20.325 1.00 50.31 C ATOM 1653 CD ARG A 99 1.848 -7.700 -19.653 1.00 64.33 C ATOM 1654 NE ARG A 99 0.692 -7.728 -20.549 1.00 35.42 N ATOM 1655 CZ ARG A 99 -0.553 -7.420 -20.176 1.00 12.32 C ATOM 1656 NH1 ARG A 99 -0.789 -6.907 -18.975 1.00 74.13 N ATOM 1657 NH2 ARG A 99 -1.561 -7.598 -21.019 1.00 75.33 N ATOM 0 H ARG A 99 2.847 -3.116 -20.604 1.00 4.52 H new ATOM 0 HA ARG A 99 1.618 -5.199 -18.994 1.00 74.14 H new ATOM 0 HB2 ARG A 99 2.162 -5.519 -21.388 1.00 61.23 H new ATOM 0 HB3 ARG A 99 3.861 -5.265 -21.041 1.00 61.23 H new ATOM 0 HG2 ARG A 99 3.283 -7.669 -21.252 1.00 50.31 H new ATOM 0 HG3 ARG A 99 3.955 -7.280 -19.681 1.00 50.31 H new ATOM 0 HD2 ARG A 99 2.059 -8.711 -19.305 1.00 64.33 H new ATOM 0 HD3 ARG A 99 1.608 -7.104 -18.773 1.00 64.33 H new ATOM 0 HE ARG A 99 0.846 -8.000 -21.520 1.00 35.42 H new ATOM 0 HH11 ARG A 99 -0.017 -6.745 -18.329 1.00 74.13 H new ATOM 0 HH12 ARG A 99 -1.743 -6.675 -18.698 1.00 74.13 H new ATOM 0 HH21 ARG A 99 -1.386 -7.970 -21.952 1.00 75.33 H new ATOM 0 HH22 ARG A 99 -2.512 -7.363 -20.734 1.00 75.33 H new ATOM 1671 N ALA A 100 4.489 -3.935 -18.237 1.00 24.24 N ATOM 1672 CA ALA A 100 5.540 -3.921 -17.231 1.00 74.43 C ATOM 1673 C ALA A 100 4.960 -3.673 -15.840 1.00 53.34 C ATOM 1674 O ALA A 100 5.375 -4.300 -14.863 1.00 61.01 O ATOM 1675 CB ALA A 100 6.587 -2.874 -17.569 1.00 31.23 C ATOM 0 H ALA A 100 4.485 -3.125 -18.857 1.00 24.24 H new ATOM 0 HA ALA A 100 6.020 -4.900 -17.227 1.00 74.43 H new ATOM 0 HB1 ALA A 100 7.365 -2.878 -16.806 1.00 31.23 H new ATOM 0 HB2 ALA A 100 7.029 -3.101 -18.539 1.00 31.23 H new ATOM 0 HB3 ALA A 100 6.119 -1.890 -17.605 1.00 31.23 H new ATOM 1681 N LEU A 101 3.989 -2.770 -15.754 1.00 0.14 N ATOM 1682 CA LEU A 101 3.367 -2.444 -14.477 1.00 4.43 C ATOM 1683 C LEU A 101 2.467 -3.580 -13.995 1.00 20.21 C ATOM 1684 O LEU A 101 2.316 -3.789 -12.792 1.00 30.04 O ATOM 1685 CB LEU A 101 2.613 -1.103 -14.556 1.00 5.33 C ATOM 1686 CG LEU A 101 1.595 -0.949 -15.691 1.00 60.55 C ATOM 1687 CD1 LEU A 101 0.275 -1.611 -15.341 1.00 25.10 C ATOM 1688 CD2 LEU A 101 1.383 0.522 -16.015 1.00 70.40 C ATOM 0 H LEU A 101 3.617 -2.253 -16.551 1.00 0.14 H new ATOM 0 HA LEU A 101 4.157 -2.327 -13.735 1.00 4.43 H new ATOM 0 HB2 LEU A 101 2.093 -0.949 -13.610 1.00 5.33 H new ATOM 0 HB3 LEU A 101 3.349 -0.304 -14.649 1.00 5.33 H new ATOM 0 HG LEU A 101 1.996 -1.449 -16.573 1.00 60.55 H new ATOM 0 HD11 LEU A 101 -0.426 -1.484 -16.166 1.00 25.10 H new ATOM 0 HD12 LEU A 101 0.437 -2.674 -15.163 1.00 25.10 H new ATOM 0 HD13 LEU A 101 -0.136 -1.151 -14.442 1.00 25.10 H new ATOM 0 HD21 LEU A 101 0.657 0.616 -16.823 1.00 70.40 H new ATOM 0 HD22 LEU A 101 1.010 1.039 -15.131 1.00 70.40 H new ATOM 0 HD23 LEU A 101 2.329 0.967 -16.324 1.00 70.40 H new ATOM 1700 N SER A 102 1.897 -4.336 -14.928 1.00 41.22 N ATOM 1701 CA SER A 102 1.079 -5.484 -14.566 1.00 44.33 C ATOM 1702 C SER A 102 1.967 -6.643 -14.121 1.00 33.34 C ATOM 1703 O SER A 102 1.545 -7.509 -13.355 1.00 60.34 O ATOM 1704 CB SER A 102 0.185 -5.904 -15.737 1.00 63.21 C ATOM 1705 OG SER A 102 0.951 -6.221 -16.889 1.00 33.11 O ATOM 0 H SER A 102 1.986 -4.175 -15.931 1.00 41.22 H new ATOM 0 HA SER A 102 0.433 -5.202 -13.734 1.00 44.33 H new ATOM 0 HB2 SER A 102 -0.413 -6.768 -15.448 1.00 63.21 H new ATOM 0 HB3 SER A 102 -0.511 -5.099 -15.972 1.00 63.21 H new ATOM 0 HG SER A 102 1.894 -6.010 -16.723 1.00 33.11 H new ATOM 1711 N GLU A 103 3.201 -6.651 -14.615 1.00 75.35 N ATOM 1712 CA GLU A 103 4.193 -7.619 -14.181 1.00 1.33 C ATOM 1713 C GLU A 103 4.602 -7.321 -12.743 1.00 33.21 C ATOM 1714 O GLU A 103 4.537 -8.191 -11.879 1.00 34.01 O ATOM 1715 CB GLU A 103 5.417 -7.578 -15.105 1.00 15.22 C ATOM 1716 CG GLU A 103 6.531 -8.532 -14.703 1.00 11.03 C ATOM 1717 CD GLU A 103 6.100 -9.986 -14.711 1.00 31.32 C ATOM 1718 OE1 GLU A 103 5.348 -10.386 -15.625 1.00 32.31 O ATOM 1719 OE2 GLU A 103 6.531 -10.740 -13.813 1.00 1.32 O ATOM 0 H GLU A 103 3.536 -5.993 -15.319 1.00 75.35 H new ATOM 0 HA GLU A 103 3.762 -8.619 -14.228 1.00 1.33 H new ATOM 0 HB2 GLU A 103 5.100 -7.814 -16.121 1.00 15.22 H new ATOM 0 HB3 GLU A 103 5.812 -6.562 -15.122 1.00 15.22 H new ATOM 0 HG2 GLU A 103 7.373 -8.405 -15.383 1.00 11.03 H new ATOM 0 HG3 GLU A 103 6.884 -8.269 -13.706 1.00 11.03 H new ATOM 1726 N ALA A 104 4.994 -6.074 -12.489 1.00 73.34 N ATOM 1727 CA ALA A 104 5.377 -5.644 -11.147 1.00 33.03 C ATOM 1728 C ALA A 104 4.225 -5.838 -10.164 1.00 54.33 C ATOM 1729 O ALA A 104 4.442 -6.100 -8.980 1.00 75.03 O ATOM 1730 CB ALA A 104 5.823 -4.188 -11.163 1.00 1.32 C ATOM 0 H ALA A 104 5.055 -5.343 -13.197 1.00 73.34 H new ATOM 0 HA ALA A 104 6.213 -6.261 -10.817 1.00 33.03 H new ATOM 0 HB1 ALA A 104 6.105 -3.883 -10.155 1.00 1.32 H new ATOM 0 HB2 ALA A 104 6.679 -4.077 -11.829 1.00 1.32 H new ATOM 0 HB3 ALA A 104 5.005 -3.561 -11.516 1.00 1.32 H new ATOM 1736 N LEU A 105 3.007 -5.720 -10.682 1.00 10.45 N ATOM 1737 CA LEU A 105 1.792 -5.897 -9.896 1.00 24.44 C ATOM 1738 C LEU A 105 1.794 -7.252 -9.185 1.00 22.31 C ATOM 1739 O LEU A 105 1.619 -7.322 -7.968 1.00 24.43 O ATOM 1740 CB LEU A 105 0.574 -5.766 -10.821 1.00 21.15 C ATOM 1741 CG LEU A 105 -0.794 -5.608 -10.147 1.00 65.42 C ATOM 1742 CD1 LEU A 105 -1.789 -5.020 -11.137 1.00 32.43 C ATOM 1743 CD2 LEU A 105 -1.311 -6.945 -9.631 1.00 5.21 C ATOM 0 H LEU A 105 2.835 -5.498 -11.663 1.00 10.45 H new ATOM 0 HA LEU A 105 1.745 -5.126 -9.127 1.00 24.44 H new ATOM 0 HB2 LEU A 105 0.733 -4.906 -11.472 1.00 21.15 H new ATOM 0 HB3 LEU A 105 0.537 -6.648 -11.461 1.00 21.15 H new ATOM 0 HG LEU A 105 -0.680 -4.936 -9.297 1.00 65.42 H new ATOM 0 HD11 LEU A 105 -2.760 -4.909 -10.654 1.00 32.43 H new ATOM 0 HD12 LEU A 105 -1.436 -4.044 -11.471 1.00 32.43 H new ATOM 0 HD13 LEU A 105 -1.884 -5.685 -11.995 1.00 32.43 H new ATOM 0 HD21 LEU A 105 -2.283 -6.801 -9.158 1.00 5.21 H new ATOM 0 HD22 LEU A 105 -1.412 -7.642 -10.463 1.00 5.21 H new ATOM 0 HD23 LEU A 105 -0.609 -7.350 -8.902 1.00 5.21 H new ATOM 1755 N GLU A 106 2.015 -8.328 -9.935 1.00 45.22 N ATOM 1756 CA GLU A 106 1.966 -9.664 -9.353 1.00 35.10 C ATOM 1757 C GLU A 106 3.139 -9.891 -8.402 1.00 32.44 C ATOM 1758 O GLU A 106 3.036 -10.674 -7.458 1.00 43.04 O ATOM 1759 CB GLU A 106 1.944 -10.750 -10.435 1.00 2.40 C ATOM 1760 CG GLU A 106 3.237 -10.875 -11.224 1.00 13.05 C ATOM 1761 CD GLU A 106 3.807 -12.281 -11.189 1.00 25.14 C ATOM 1762 OE1 GLU A 106 3.453 -13.092 -12.069 1.00 22.34 O ATOM 1763 OE2 GLU A 106 4.625 -12.580 -10.293 1.00 15.01 O ATOM 0 H GLU A 106 2.227 -8.302 -10.932 1.00 45.22 H new ATOM 0 HA GLU A 106 1.038 -9.734 -8.785 1.00 35.10 H new ATOM 0 HB2 GLU A 106 1.725 -11.709 -9.966 1.00 2.40 H new ATOM 0 HB3 GLU A 106 1.129 -10.540 -11.127 1.00 2.40 H new ATOM 0 HG2 GLU A 106 3.056 -10.586 -12.259 1.00 13.05 H new ATOM 0 HG3 GLU A 106 3.973 -10.178 -10.822 1.00 13.05 H new ATOM 1770 N LYS A 107 4.244 -9.183 -8.634 1.00 23.23 N ATOM 1771 CA LYS A 107 5.434 -9.359 -7.811 1.00 63.52 C ATOM 1772 C LYS A 107 5.156 -8.884 -6.391 1.00 53.24 C ATOM 1773 O LYS A 107 5.519 -9.549 -5.418 1.00 21.12 O ATOM 1774 CB LYS A 107 6.649 -8.600 -8.374 1.00 41.44 C ATOM 1775 CG LYS A 107 6.818 -8.662 -9.889 1.00 31.32 C ATOM 1776 CD LYS A 107 6.619 -10.060 -10.457 1.00 10.44 C ATOM 1777 CE LYS A 107 7.610 -11.067 -9.909 1.00 35.30 C ATOM 1778 NZ LYS A 107 7.353 -12.423 -10.459 1.00 14.55 N ATOM 0 H LYS A 107 4.338 -8.490 -9.377 1.00 23.23 H new ATOM 0 HA LYS A 107 5.675 -10.422 -7.813 1.00 63.52 H new ATOM 0 HB2 LYS A 107 6.571 -7.554 -8.077 1.00 41.44 H new ATOM 0 HB3 LYS A 107 7.551 -8.997 -7.909 1.00 41.44 H new ATOM 0 HG2 LYS A 107 6.105 -7.982 -10.356 1.00 31.32 H new ATOM 0 HG3 LYS A 107 7.815 -8.308 -10.152 1.00 31.32 H new ATOM 0 HD2 LYS A 107 5.606 -10.396 -10.234 1.00 10.44 H new ATOM 0 HD3 LYS A 107 6.710 -10.022 -11.542 1.00 10.44 H new ATOM 0 HE2 LYS A 107 8.625 -10.756 -10.158 1.00 35.30 H new ATOM 0 HE3 LYS A 107 7.543 -11.093 -8.821 1.00 35.30 H new ATOM 0 HZ1 LYS A 107 7.673 -13.140 -9.777 1.00 14.55 H new ATOM 0 HZ2 LYS A 107 6.334 -12.540 -10.632 1.00 14.55 H new ATOM 0 HZ3 LYS A 107 7.872 -12.539 -11.353 1.00 14.55 H new ATOM 1792 N LEU A 108 4.491 -7.741 -6.277 1.00 70.31 N ATOM 1793 CA LEU A 108 4.150 -7.193 -4.973 1.00 24.30 C ATOM 1794 C LEU A 108 2.944 -7.920 -4.386 1.00 52.14 C ATOM 1795 O LEU A 108 2.819 -8.038 -3.167 1.00 4.34 O ATOM 1796 CB LEU A 108 3.908 -5.675 -5.060 1.00 52.54 C ATOM 1797 CG LEU A 108 2.803 -5.212 -6.020 1.00 35.30 C ATOM 1798 CD1 LEU A 108 1.446 -5.182 -5.328 1.00 51.11 C ATOM 1799 CD2 LEU A 108 3.136 -3.842 -6.594 1.00 31.14 C ATOM 0 H LEU A 108 4.179 -7.179 -7.069 1.00 70.31 H new ATOM 0 HA LEU A 108 4.994 -7.350 -4.301 1.00 24.30 H new ATOM 0 HB2 LEU A 108 3.668 -5.310 -4.061 1.00 52.54 H new ATOM 0 HB3 LEU A 108 4.841 -5.197 -5.358 1.00 52.54 H new ATOM 0 HG LEU A 108 2.747 -5.931 -6.837 1.00 35.30 H new ATOM 0 HD11 LEU A 108 0.685 -4.850 -6.034 1.00 51.11 H new ATOM 0 HD12 LEU A 108 1.198 -6.181 -4.970 1.00 51.11 H new ATOM 0 HD13 LEU A 108 1.483 -4.493 -4.484 1.00 51.11 H new ATOM 0 HD21 LEU A 108 2.342 -3.529 -7.272 1.00 31.14 H new ATOM 0 HD22 LEU A 108 3.226 -3.120 -5.783 1.00 31.14 H new ATOM 0 HD23 LEU A 108 4.079 -3.895 -7.139 1.00 31.14 H new ATOM 1811 N TRP A 109 2.066 -8.415 -5.254 1.00 4.52 N ATOM 1812 CA TRP A 109 0.904 -9.180 -4.816 1.00 43.33 C ATOM 1813 C TRP A 109 1.341 -10.452 -4.096 1.00 63.30 C ATOM 1814 O TRP A 109 0.984 -10.670 -2.936 1.00 71.13 O ATOM 1815 CB TRP A 109 -0.001 -9.518 -6.010 1.00 74.12 C ATOM 1816 CG TRP A 109 -0.981 -10.620 -5.725 1.00 14.14 C ATOM 1817 CD1 TRP A 109 -1.824 -10.716 -4.658 1.00 22.25 C ATOM 1818 CD2 TRP A 109 -1.213 -11.783 -6.525 1.00 24.14 C ATOM 1819 NE1 TRP A 109 -2.548 -11.878 -4.732 1.00 33.40 N ATOM 1820 CE2 TRP A 109 -2.200 -12.548 -5.873 1.00 35.11 C ATOM 1821 CE3 TRP A 109 -0.684 -12.251 -7.728 1.00 43.31 C ATOM 1822 CZ2 TRP A 109 -2.660 -13.758 -6.383 1.00 61.41 C ATOM 1823 CZ3 TRP A 109 -1.141 -13.451 -8.234 1.00 72.31 C ATOM 1824 CH2 TRP A 109 -2.125 -14.193 -7.565 1.00 54.22 C ATOM 0 H TRP A 109 2.138 -8.300 -6.265 1.00 4.52 H new ATOM 0 HA TRP A 109 0.334 -8.569 -4.117 1.00 43.33 H new ATOM 0 HB2 TRP A 109 -0.548 -8.623 -6.306 1.00 74.12 H new ATOM 0 HB3 TRP A 109 0.621 -9.806 -6.857 1.00 74.12 H new ATOM 0 HD1 TRP A 109 -1.909 -9.983 -3.869 1.00 22.25 H new ATOM 0 HE1 TRP A 109 -3.235 -12.192 -4.047 1.00 33.40 H new ATOM 0 HE3 TRP A 109 0.070 -11.684 -8.254 1.00 43.31 H new ATOM 0 HZ2 TRP A 109 -3.413 -14.333 -5.864 1.00 61.41 H new ATOM 0 HZ3 TRP A 109 -0.734 -13.825 -9.162 1.00 72.31 H new ATOM 0 HH2 TRP A 109 -2.467 -15.125 -7.990 1.00 54.22 H new ATOM 1835 N ARG A 110 2.134 -11.270 -4.778 1.00 72.32 N ATOM 1836 CA ARG A 110 2.604 -12.534 -4.221 1.00 25.30 C ATOM 1837 C ARG A 110 3.438 -12.290 -2.964 1.00 32.43 C ATOM 1838 O ARG A 110 3.444 -13.103 -2.036 1.00 13.00 O ATOM 1839 CB ARG A 110 3.410 -13.290 -5.281 1.00 64.42 C ATOM 1840 CG ARG A 110 2.586 -13.632 -6.513 1.00 10.12 C ATOM 1841 CD ARG A 110 3.457 -13.991 -7.705 1.00 23.42 C ATOM 1842 NE ARG A 110 4.135 -15.277 -7.545 1.00 52.33 N ATOM 1843 CZ ARG A 110 5.005 -15.767 -8.430 1.00 14.34 C ATOM 1844 NH1 ARG A 110 5.320 -15.066 -9.514 1.00 64.45 N ATOM 1845 NH2 ARG A 110 5.546 -16.961 -8.237 1.00 1.41 N ATOM 0 H ARG A 110 2.467 -11.079 -5.723 1.00 72.32 H new ATOM 0 HA ARG A 110 1.747 -13.143 -3.934 1.00 25.30 H new ATOM 0 HB2 ARG A 110 4.267 -12.686 -5.579 1.00 64.42 H new ATOM 0 HB3 ARG A 110 3.803 -14.209 -4.846 1.00 64.42 H new ATOM 0 HG2 ARG A 110 1.924 -14.467 -6.285 1.00 10.12 H new ATOM 0 HG3 ARG A 110 1.952 -12.784 -6.771 1.00 10.12 H new ATOM 0 HD2 ARG A 110 2.841 -14.020 -8.604 1.00 23.42 H new ATOM 0 HD3 ARG A 110 4.202 -13.209 -7.854 1.00 23.42 H new ATOM 0 HE ARG A 110 3.932 -15.829 -6.712 1.00 52.33 H new ATOM 0 HH11 ARG A 110 4.896 -14.151 -9.671 1.00 64.45 H new ATOM 0 HH12 ARG A 110 5.985 -15.442 -10.189 1.00 64.45 H new ATOM 0 HH21 ARG A 110 5.297 -17.506 -7.412 1.00 1.41 H new ATOM 0 HH22 ARG A 110 6.211 -17.335 -8.914 1.00 1.41 H new ATOM 1859 N ARG A 111 4.120 -11.149 -2.934 1.00 31.40 N ATOM 1860 CA ARG A 111 4.887 -10.736 -1.766 1.00 52.03 C ATOM 1861 C ARG A 111 3.951 -10.453 -0.588 1.00 4.44 C ATOM 1862 O ARG A 111 4.216 -10.868 0.540 1.00 31.52 O ATOM 1863 CB ARG A 111 5.720 -9.491 -2.096 1.00 41.03 C ATOM 1864 CG ARG A 111 6.612 -9.009 -0.961 1.00 45.24 C ATOM 1865 CD ARG A 111 7.572 -10.094 -0.501 1.00 1.11 C ATOM 1866 NE ARG A 111 8.343 -10.661 -1.607 1.00 52.12 N ATOM 1867 CZ ARG A 111 9.540 -11.218 -1.467 1.00 50.33 C ATOM 1868 NH1 ARG A 111 10.159 -11.190 -0.293 1.00 74.05 N ATOM 1869 NH2 ARG A 111 10.137 -11.782 -2.509 1.00 33.45 N ATOM 0 H ARG A 111 4.156 -10.490 -3.712 1.00 31.40 H new ATOM 0 HA ARG A 111 5.562 -11.545 -1.485 1.00 52.03 H new ATOM 0 HB2 ARG A 111 6.343 -9.706 -2.964 1.00 41.03 H new ATOM 0 HB3 ARG A 111 5.046 -8.683 -2.379 1.00 41.03 H new ATOM 0 HG2 ARG A 111 7.178 -8.137 -1.288 1.00 45.24 H new ATOM 0 HG3 ARG A 111 5.993 -8.691 -0.122 1.00 45.24 H new ATOM 0 HD2 ARG A 111 8.256 -9.680 0.240 1.00 1.11 H new ATOM 0 HD3 ARG A 111 7.010 -10.888 -0.009 1.00 1.11 H new ATOM 0 HE ARG A 111 7.937 -10.626 -2.542 1.00 52.12 H new ATOM 0 HH11 ARG A 111 9.715 -10.739 0.507 1.00 74.05 H new ATOM 0 HH12 ARG A 111 11.079 -11.619 -0.191 1.00 74.05 H new ATOM 0 HH21 ARG A 111 9.676 -11.788 -3.419 1.00 33.45 H new ATOM 0 HH22 ARG A 111 11.057 -12.210 -2.400 1.00 33.45 H new ATOM 1883 N HIS A 112 2.850 -9.757 -0.859 1.00 10.52 N ATOM 1884 CA HIS A 112 1.879 -9.429 0.183 1.00 24.41 C ATOM 1885 C HIS A 112 1.176 -10.685 0.682 1.00 73.14 C ATOM 1886 O HIS A 112 0.958 -10.840 1.880 1.00 45.22 O ATOM 1887 CB HIS A 112 0.829 -8.428 -0.319 1.00 15.41 C ATOM 1888 CG HIS A 112 1.354 -7.040 -0.542 1.00 74.00 C ATOM 1889 ND1 HIS A 112 1.126 -6.325 -1.699 1.00 32.20 N ATOM 1890 CD2 HIS A 112 2.090 -6.230 0.257 1.00 21.23 C ATOM 1891 CE1 HIS A 112 1.699 -5.139 -1.602 1.00 44.21 C ATOM 1892 NE2 HIS A 112 2.291 -5.053 -0.425 1.00 44.40 N ATOM 0 H HIS A 112 2.608 -9.410 -1.787 1.00 10.52 H new ATOM 0 HA HIS A 112 2.433 -8.972 1.003 1.00 24.41 H new ATOM 0 HB2 HIS A 112 0.408 -8.799 -1.254 1.00 15.41 H new ATOM 0 HB3 HIS A 112 0.013 -8.383 0.402 1.00 15.41 H new ATOM 0 HD1 HIS A 112 0.597 -6.660 -2.504 1.00 32.20 H new ATOM 0 HD2 HIS A 112 2.452 -6.465 1.247 1.00 21.23 H new ATOM 0 HE1 HIS A 112 1.686 -4.369 -2.359 1.00 44.21 H new ATOM 1901 N CYS A 113 0.838 -11.574 -0.245 1.00 53.30 N ATOM 1902 CA CYS A 113 0.114 -12.801 0.080 1.00 12.10 C ATOM 1903 C CYS A 113 0.863 -13.631 1.125 1.00 64.22 C ATOM 1904 O CYS A 113 0.281 -14.055 2.128 1.00 10.43 O ATOM 1905 CB CYS A 113 -0.114 -13.628 -1.192 1.00 65.20 C ATOM 1906 SG CYS A 113 -1.053 -15.157 -0.937 1.00 31.12 S ATOM 0 H CYS A 113 1.055 -11.468 -1.236 1.00 53.30 H new ATOM 0 HA CYS A 113 -0.850 -12.522 0.505 1.00 12.10 H new ATOM 0 HB2 CYS A 113 -0.639 -13.012 -1.922 1.00 65.20 H new ATOM 0 HB3 CYS A 113 0.854 -13.879 -1.625 1.00 65.20 H new ATOM 0 HG CYS A 113 -2.112 -15.147 -1.691 1.00 31.12 H new ATOM 1912 N ARG A 114 2.157 -13.845 0.898 1.00 43.45 N ATOM 1913 CA ARG A 114 2.967 -14.661 1.798 1.00 15.45 C ATOM 1914 C ARG A 114 3.222 -13.939 3.124 1.00 43.15 C ATOM 1915 O ARG A 114 3.246 -14.565 4.182 1.00 11.44 O ATOM 1916 CB ARG A 114 4.300 -15.038 1.132 1.00 43.12 C ATOM 1917 CG ARG A 114 5.242 -15.818 2.043 1.00 14.23 C ATOM 1918 CD ARG A 114 4.667 -17.173 2.430 1.00 11.03 C ATOM 1919 NE ARG A 114 4.775 -18.153 1.349 1.00 40.32 N ATOM 1920 CZ ARG A 114 4.137 -19.326 1.337 1.00 64.33 C ATOM 1921 NH1 ARG A 114 3.239 -19.614 2.272 1.00 75.32 N ATOM 1922 NH2 ARG A 114 4.376 -20.204 0.371 1.00 11.34 N ATOM 0 H ARG A 114 2.666 -13.465 0.100 1.00 43.45 H new ATOM 0 HA ARG A 114 2.410 -15.573 2.011 1.00 15.45 H new ATOM 0 HB2 ARG A 114 4.096 -15.632 0.241 1.00 43.12 H new ATOM 0 HB3 ARG A 114 4.800 -14.128 0.800 1.00 43.12 H new ATOM 0 HG2 ARG A 114 6.198 -15.960 1.540 1.00 14.23 H new ATOM 0 HG3 ARG A 114 5.439 -15.237 2.944 1.00 14.23 H new ATOM 0 HD2 ARG A 114 5.189 -17.548 3.311 1.00 11.03 H new ATOM 0 HD3 ARG A 114 3.619 -17.055 2.706 1.00 11.03 H new ATOM 0 HE ARG A 114 5.375 -17.926 0.556 1.00 40.32 H new ATOM 0 HH11 ARG A 114 3.032 -18.937 3.006 1.00 75.32 H new ATOM 0 HH12 ARG A 114 2.756 -20.512 2.256 1.00 75.32 H new ATOM 0 HH21 ARG A 114 5.048 -19.983 -0.364 1.00 11.34 H new ATOM 0 HH22 ARG A 114 3.888 -21.100 0.363 1.00 11.34 H new ATOM 1936 N LEU A 115 3.397 -12.626 3.061 1.00 25.50 N ATOM 1937 CA LEU A 115 3.729 -11.845 4.248 1.00 61.13 C ATOM 1938 C LEU A 115 2.506 -11.691 5.154 1.00 71.14 C ATOM 1939 O LEU A 115 2.588 -11.913 6.364 1.00 72.42 O ATOM 1940 CB LEU A 115 4.277 -10.471 3.830 1.00 54.34 C ATOM 1941 CG LEU A 115 5.032 -9.686 4.912 1.00 11.34 C ATOM 1942 CD1 LEU A 115 5.917 -8.633 4.269 1.00 4.20 C ATOM 1943 CD2 LEU A 115 4.070 -9.021 5.887 1.00 1.11 C ATOM 0 H LEU A 115 3.315 -12.079 2.204 1.00 25.50 H new ATOM 0 HA LEU A 115 4.498 -12.372 4.813 1.00 61.13 H new ATOM 0 HB2 LEU A 115 4.945 -10.612 2.980 1.00 54.34 H new ATOM 0 HB3 LEU A 115 3.443 -9.861 3.482 1.00 54.34 H new ATOM 0 HG LEU A 115 5.649 -10.392 5.468 1.00 11.34 H new ATOM 0 HD11 LEU A 115 6.448 -8.081 5.045 1.00 4.20 H new ATOM 0 HD12 LEU A 115 6.637 -9.117 3.609 1.00 4.20 H new ATOM 0 HD13 LEU A 115 5.301 -7.944 3.691 1.00 4.20 H new ATOM 0 HD21 LEU A 115 4.636 -8.473 6.640 1.00 1.11 H new ATOM 0 HD22 LEU A 115 3.423 -8.330 5.346 1.00 1.11 H new ATOM 0 HD23 LEU A 115 3.461 -9.783 6.374 1.00 1.11 H new ATOM 1955 N ALA A 116 1.374 -11.320 4.561 1.00 11.41 N ATOM 1956 CA ALA A 116 0.149 -11.074 5.318 1.00 63.13 C ATOM 1957 C ALA A 116 -0.303 -12.329 6.050 1.00 43.02 C ATOM 1958 O ALA A 116 -0.667 -12.285 7.226 1.00 2.24 O ATOM 1959 CB ALA A 116 -0.955 -10.571 4.397 1.00 30.11 C ATOM 0 H ALA A 116 1.279 -11.183 3.555 1.00 11.41 H new ATOM 0 HA ALA A 116 0.361 -10.306 6.062 1.00 63.13 H new ATOM 0 HB1 ALA A 116 -1.860 -10.393 4.978 1.00 30.11 H new ATOM 0 HB2 ALA A 116 -0.639 -9.641 3.924 1.00 30.11 H new ATOM 0 HB3 ALA A 116 -1.157 -11.318 3.630 1.00 30.11 H new ATOM 1965 N ARG A 117 -0.281 -13.452 5.352 1.00 51.23 N ATOM 1966 CA ARG A 117 -0.625 -14.718 5.967 1.00 24.24 C ATOM 1967 C ARG A 117 0.646 -15.425 6.420 1.00 53.42 C ATOM 1968 O ARG A 117 1.206 -16.261 5.709 1.00 1.50 O ATOM 1969 CB ARG A 117 -1.449 -15.584 5.011 1.00 1.31 C ATOM 1970 CG ARG A 117 -2.765 -14.931 4.611 1.00 34.42 C ATOM 1971 CD ARG A 117 -3.625 -15.853 3.762 1.00 65.33 C ATOM 1972 NE ARG A 117 -4.876 -15.211 3.352 1.00 35.43 N ATOM 1973 CZ ARG A 117 -6.011 -15.871 3.111 1.00 14.13 C ATOM 1974 NH1 ARG A 117 -6.085 -17.178 3.321 1.00 4.05 N ATOM 1975 NH2 ARG A 117 -7.082 -15.215 2.691 1.00 55.51 N ATOM 0 H ARG A 117 -0.030 -13.511 4.365 1.00 51.23 H new ATOM 0 HA ARG A 117 -1.247 -14.536 6.843 1.00 24.24 H new ATOM 0 HB2 ARG A 117 -0.862 -15.788 4.115 1.00 1.31 H new ATOM 0 HB3 ARG A 117 -1.654 -16.545 5.483 1.00 1.31 H new ATOM 0 HG2 ARG A 117 -3.315 -14.646 5.508 1.00 34.42 H new ATOM 0 HG3 ARG A 117 -2.561 -14.014 4.058 1.00 34.42 H new ATOM 0 HD2 ARG A 117 -3.066 -16.157 2.877 1.00 65.33 H new ATOM 0 HD3 ARG A 117 -3.850 -16.759 4.324 1.00 65.33 H new ATOM 0 HE ARG A 117 -4.880 -14.197 3.244 1.00 35.43 H new ATOM 0 HH11 ARG A 117 -5.271 -17.686 3.669 1.00 4.05 H new ATOM 0 HH12 ARG A 117 -6.955 -17.676 3.135 1.00 4.05 H new ATOM 0 HH21 ARG A 117 -7.040 -14.205 2.552 1.00 55.51 H new ATOM 0 HH22 ARG A 117 -7.949 -15.719 2.507 1.00 55.51 H new