USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= 0.736 K(o=1.5,f=-5.7!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -121:sc= 0.791 (180deg=-0.0584) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.225 K(o=-0.22,f=-5.3!) USER MOD Set 2.2: A 26 GLN : amide:sc= 0 X(o=-0.22,f=-0.22) USER MOD Single : A 17 GLN : amide:sc= 0.409 K(o=0.41,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.185 K(o=-0.19,f=-0.82) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 32 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.7) USER MOD Single : A 34 THR OG1 : rot -150:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.706 K(o=-0.71,f=-0.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.22! C(o=-2.2!,f=-4.3!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -85:sc= 0.377 USER MOD Single : A 72 SER OG : rot -83:sc= 0.667 USER MOD Single : A 77 GLN : amide:sc= -2.94! C(o=-2.9!,f=-1.5!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.086) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.653 K(o=0.65,f=-3.2!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.11) USER MOD Single : A 112 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-7.2!) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.084 6.447 9.805 1.00 54.02 N ATOM 281 CA GLN A 17 -4.235 5.298 9.526 1.00 5.34 C ATOM 282 C GLN A 17 -2.854 5.756 9.086 1.00 52.34 C ATOM 283 O GLN A 17 -1.857 5.106 9.385 1.00 12.11 O ATOM 284 CB GLN A 17 -4.835 4.401 8.440 1.00 62.02 C ATOM 285 CG GLN A 17 -6.205 3.827 8.768 1.00 20.34 C ATOM 286 CD GLN A 17 -7.325 4.837 8.613 1.00 12.52 C ATOM 287 OE1 GLN A 17 -7.718 5.500 9.573 1.00 62.11 O ATOM 288 NE2 GLN A 17 -7.814 4.992 7.395 1.00 44.22 N ATOM 0 HA GLN A 17 -4.159 4.721 10.448 1.00 5.34 H new ATOM 0 HB2 GLN A 17 -4.909 4.974 7.516 1.00 62.02 H new ATOM 0 HB3 GLN A 17 -4.148 3.577 8.250 1.00 62.02 H new ATOM 0 HG2 GLN A 17 -6.400 2.974 8.118 1.00 20.34 H new ATOM 0 HG3 GLN A 17 -6.200 3.453 9.792 1.00 20.34 H new ATOM 0 HE21 GLN A 17 -7.460 4.422 6.627 1.00 44.22 H new ATOM 0 HE22 GLN A 17 -8.545 5.682 7.223 1.00 44.22 H new ATOM 297 N PHE A 18 -2.809 6.892 8.398 1.00 70.10 N ATOM 298 CA PHE A 18 -1.561 7.433 7.875 1.00 43.12 C ATOM 299 C PHE A 18 -0.537 7.614 8.994 1.00 53.32 C ATOM 300 O PHE A 18 0.567 7.079 8.926 1.00 40.44 O ATOM 301 CB PHE A 18 -1.819 8.770 7.174 1.00 64.24 C ATOM 302 CG PHE A 18 -0.602 9.348 6.506 1.00 0.23 C ATOM 303 CD1 PHE A 18 -0.192 8.886 5.264 1.00 11.12 C ATOM 304 CD2 PHE A 18 0.128 10.356 7.117 1.00 43.23 C ATOM 305 CE1 PHE A 18 0.925 9.417 4.647 1.00 13.20 C ATOM 306 CE2 PHE A 18 1.246 10.889 6.506 1.00 2.32 C ATOM 307 CZ PHE A 18 1.644 10.420 5.268 1.00 22.11 C ATOM 0 H PHE A 18 -3.630 7.459 8.189 1.00 70.10 H new ATOM 0 HA PHE A 18 -1.156 6.725 7.152 1.00 43.12 H new ATOM 0 HB2 PHE A 18 -2.602 8.634 6.428 1.00 64.24 H new ATOM 0 HB3 PHE A 18 -2.196 9.486 7.904 1.00 64.24 H new ATOM 0 HD1 PHE A 18 -0.752 8.103 4.774 1.00 11.12 H new ATOM 0 HD2 PHE A 18 -0.181 10.729 8.082 1.00 43.23 H new ATOM 0 HE1 PHE A 18 1.235 9.048 3.681 1.00 13.20 H new ATOM 0 HE2 PHE A 18 1.808 11.671 6.995 1.00 2.32 H new ATOM 0 HZ PHE A 18 2.516 10.837 4.787 1.00 22.11 H new ATOM 317 N THR A 19 -0.918 8.356 10.026 1.00 41.31 N ATOM 318 CA THR A 19 -0.030 8.625 11.149 1.00 64.31 C ATOM 319 C THR A 19 0.270 7.343 11.931 1.00 55.33 C ATOM 320 O THR A 19 1.364 7.172 12.473 1.00 30.30 O ATOM 321 CB THR A 19 -0.654 9.670 12.096 1.00 25.34 C ATOM 322 OG1 THR A 19 -1.230 10.735 11.326 1.00 73.31 O ATOM 323 CG2 THR A 19 0.392 10.241 13.043 1.00 20.54 C ATOM 0 H THR A 19 -1.840 8.784 10.108 1.00 41.31 H new ATOM 0 HA THR A 19 0.903 9.018 10.745 1.00 64.31 H new ATOM 0 HB THR A 19 -1.426 9.178 12.687 1.00 25.34 H new ATOM 0 HG1 THR A 19 -1.627 11.397 11.929 1.00 73.31 H new ATOM 0 HG21 THR A 19 -0.074 10.975 13.700 1.00 20.54 H new ATOM 0 HG22 THR A 19 0.818 9.436 13.643 1.00 20.54 H new ATOM 0 HG23 THR A 19 1.182 10.721 12.466 1.00 20.54 H new ATOM 331 N PHE A 20 -0.703 6.441 11.966 1.00 44.31 N ATOM 332 CA PHE A 20 -0.567 5.185 12.694 1.00 15.50 C ATOM 333 C PHE A 20 0.463 4.272 12.031 1.00 55.51 C ATOM 334 O PHE A 20 1.378 3.771 12.686 1.00 4.23 O ATOM 335 CB PHE A 20 -1.924 4.481 12.777 1.00 23.54 C ATOM 336 CG PHE A 20 -1.889 3.167 13.508 1.00 73.10 C ATOM 337 CD1 PHE A 20 -1.886 3.129 14.894 1.00 12.31 C ATOM 338 CD2 PHE A 20 -1.866 1.971 12.808 1.00 23.30 C ATOM 339 CE1 PHE A 20 -1.859 1.921 15.567 1.00 43.41 C ATOM 340 CE2 PHE A 20 -1.838 0.762 13.476 1.00 70.20 C ATOM 341 CZ PHE A 20 -1.836 0.737 14.857 1.00 52.20 C ATOM 0 H PHE A 20 -1.601 6.557 11.496 1.00 44.31 H new ATOM 0 HA PHE A 20 -0.217 5.410 13.702 1.00 15.50 H new ATOM 0 HB2 PHE A 20 -2.635 5.142 13.273 1.00 23.54 H new ATOM 0 HB3 PHE A 20 -2.297 4.313 11.767 1.00 23.54 H new ATOM 0 HD1 PHE A 20 -1.905 4.052 15.454 1.00 12.31 H new ATOM 0 HD2 PHE A 20 -1.870 1.984 11.728 1.00 23.30 H new ATOM 0 HE1 PHE A 20 -1.856 1.904 16.647 1.00 43.41 H new ATOM 0 HE2 PHE A 20 -1.818 -0.163 12.919 1.00 70.20 H new ATOM 0 HZ PHE A 20 -1.816 -0.207 15.381 1.00 52.20 H new ATOM 351 N VAL A 21 0.322 4.073 10.726 1.00 55.14 N ATOM 352 CA VAL A 21 1.193 3.155 10.001 1.00 1.32 C ATOM 353 C VAL A 21 2.558 3.782 9.726 1.00 21.52 C ATOM 354 O VAL A 21 3.518 3.082 9.417 1.00 24.20 O ATOM 355 CB VAL A 21 0.563 2.694 8.665 1.00 71.13 C ATOM 356 CG1 VAL A 21 -0.802 2.065 8.906 1.00 41.31 C ATOM 357 CG2 VAL A 21 0.460 3.844 7.672 1.00 64.42 C ATOM 0 H VAL A 21 -0.384 4.532 10.150 1.00 55.14 H new ATOM 0 HA VAL A 21 1.323 2.283 10.643 1.00 1.32 H new ATOM 0 HB VAL A 21 1.219 1.940 8.230 1.00 71.13 H new ATOM 0 HG11 VAL A 21 -1.229 1.747 7.955 1.00 41.31 H new ATOM 0 HG12 VAL A 21 -0.694 1.201 9.562 1.00 41.31 H new ATOM 0 HG13 VAL A 21 -1.462 2.796 9.374 1.00 41.31 H new ATOM 0 HG21 VAL A 21 0.013 3.485 6.745 1.00 64.42 H new ATOM 0 HG22 VAL A 21 -0.163 4.634 8.093 1.00 64.42 H new ATOM 0 HG23 VAL A 21 1.455 4.238 7.467 1.00 64.42 H new ATOM 367 N PHE A 22 2.640 5.101 9.853 1.00 55.24 N ATOM 368 CA PHE A 22 3.878 5.820 9.576 1.00 43.15 C ATOM 369 C PHE A 22 4.889 5.622 10.702 1.00 3.21 C ATOM 370 O PHE A 22 6.093 5.788 10.500 1.00 4.24 O ATOM 371 CB PHE A 22 3.596 7.314 9.378 1.00 11.55 C ATOM 372 CG PHE A 22 4.770 8.084 8.836 1.00 34.33 C ATOM 373 CD1 PHE A 22 5.140 7.956 7.507 1.00 3.03 C ATOM 374 CD2 PHE A 22 5.502 8.933 9.653 1.00 11.41 C ATOM 375 CE1 PHE A 22 6.216 8.657 7.001 1.00 51.31 C ATOM 376 CE2 PHE A 22 6.580 9.639 9.151 1.00 52.33 C ATOM 377 CZ PHE A 22 6.937 9.501 7.824 1.00 3.12 C ATOM 0 H PHE A 22 1.864 5.695 10.146 1.00 55.24 H new ATOM 0 HA PHE A 22 4.304 5.416 8.658 1.00 43.15 H new ATOM 0 HB2 PHE A 22 2.752 7.428 8.698 1.00 11.55 H new ATOM 0 HB3 PHE A 22 3.297 7.748 10.332 1.00 11.55 H new ATOM 0 HD1 PHE A 22 4.579 7.299 6.859 1.00 3.03 H new ATOM 0 HD2 PHE A 22 5.227 9.044 10.692 1.00 11.41 H new ATOM 0 HE1 PHE A 22 6.494 8.546 5.963 1.00 51.31 H new ATOM 0 HE2 PHE A 22 7.142 10.298 9.796 1.00 52.33 H new ATOM 0 HZ PHE A 22 7.778 10.052 7.430 1.00 3.12 H new ATOM 387 N GLN A 23 4.398 5.264 11.883 1.00 34.11 N ATOM 388 CA GLN A 23 5.263 5.053 13.041 1.00 45.53 C ATOM 389 C GLN A 23 6.273 3.941 12.772 1.00 23.02 C ATOM 390 O GLN A 23 7.454 4.065 13.106 1.00 44.43 O ATOM 391 CB GLN A 23 4.429 4.725 14.280 1.00 50.32 C ATOM 392 CG GLN A 23 3.512 5.859 14.714 1.00 34.24 C ATOM 393 CD GLN A 23 4.263 7.150 14.991 1.00 23.34 C ATOM 394 OE1 GLN A 23 5.428 7.134 15.392 1.00 45.32 O ATOM 395 NE2 GLN A 23 3.608 8.276 14.771 1.00 1.02 N ATOM 0 H GLN A 23 3.406 5.113 12.065 1.00 34.11 H new ATOM 0 HA GLN A 23 5.813 5.976 13.224 1.00 45.53 H new ATOM 0 HB2 GLN A 23 3.827 3.839 14.079 1.00 50.32 H new ATOM 0 HB3 GLN A 23 5.099 4.475 15.103 1.00 50.32 H new ATOM 0 HG2 GLN A 23 2.768 6.036 13.937 1.00 34.24 H new ATOM 0 HG3 GLN A 23 2.971 5.559 15.611 1.00 34.24 H new ATOM 0 HE21 GLN A 23 2.644 8.249 14.439 1.00 1.02 H new ATOM 0 HE22 GLN A 23 4.066 9.173 14.933 1.00 1.02 H new ATOM 404 N GLN A 24 5.803 2.865 12.161 1.00 21.13 N ATOM 405 CA GLN A 24 6.666 1.765 11.759 1.00 34.34 C ATOM 406 C GLN A 24 6.007 1.028 10.599 1.00 52.11 C ATOM 407 O GLN A 24 5.256 0.070 10.799 1.00 72.31 O ATOM 408 CB GLN A 24 6.923 0.811 12.933 1.00 55.01 C ATOM 409 CG GLN A 24 8.358 0.292 13.014 1.00 42.24 C ATOM 410 CD GLN A 24 8.768 -0.553 11.818 1.00 32.42 C ATOM 411 OE1 GLN A 24 7.945 -1.232 11.206 1.00 11.22 O ATOM 412 NE2 GLN A 24 10.046 -0.527 11.485 1.00 11.23 N ATOM 0 H GLN A 24 4.819 2.729 11.931 1.00 21.13 H new ATOM 0 HA GLN A 24 7.632 2.158 11.443 1.00 34.34 H new ATOM 0 HB2 GLN A 24 6.681 1.324 13.864 1.00 55.01 H new ATOM 0 HB3 GLN A 24 6.245 -0.039 12.852 1.00 55.01 H new ATOM 0 HG2 GLN A 24 9.038 1.140 13.100 1.00 42.24 H new ATOM 0 HG3 GLN A 24 8.471 -0.300 13.922 1.00 42.24 H new ATOM 0 HE21 GLN A 24 10.700 0.048 12.016 1.00 11.23 H new ATOM 0 HE22 GLN A 24 10.379 -1.082 10.697 1.00 11.23 H new ATOM 421 N PRO A 25 6.252 1.499 9.371 1.00 43.05 N ATOM 422 CA PRO A 25 5.582 1.000 8.178 1.00 30.31 C ATOM 423 C PRO A 25 6.196 -0.284 7.634 1.00 51.15 C ATOM 424 O PRO A 25 7.404 -0.361 7.395 1.00 31.05 O ATOM 425 CB PRO A 25 5.757 2.139 7.158 1.00 54.14 C ATOM 426 CG PRO A 25 6.546 3.211 7.849 1.00 72.03 C ATOM 427 CD PRO A 25 7.193 2.569 9.042 1.00 31.32 C ATOM 0 HA PRO A 25 4.544 0.745 8.391 1.00 30.31 H new ATOM 0 HB2 PRO A 25 6.278 1.786 6.268 1.00 54.14 H new ATOM 0 HB3 PRO A 25 4.789 2.519 6.831 1.00 54.14 H new ATOM 0 HG2 PRO A 25 7.297 3.631 7.180 1.00 72.03 H new ATOM 0 HG3 PRO A 25 5.898 4.032 8.155 1.00 72.03 H new ATOM 0 HD2 PRO A 25 8.184 2.181 8.807 1.00 31.32 H new ATOM 0 HD3 PRO A 25 7.313 3.272 9.866 1.00 31.32 H new ATOM 435 N GLN A 26 5.356 -1.292 7.448 1.00 11.03 N ATOM 436 CA GLN A 26 5.762 -2.513 6.769 1.00 71.15 C ATOM 437 C GLN A 26 5.771 -2.254 5.266 1.00 25.44 C ATOM 438 O GLN A 26 4.754 -1.857 4.697 1.00 73.11 O ATOM 439 CB GLN A 26 4.797 -3.655 7.108 1.00 32.42 C ATOM 440 CG GLN A 26 4.692 -3.951 8.599 1.00 63.01 C ATOM 441 CD GLN A 26 5.895 -4.695 9.149 1.00 12.13 C ATOM 442 OE1 GLN A 26 5.916 -5.926 9.169 1.00 42.11 O ATOM 443 NE2 GLN A 26 6.896 -3.957 9.608 1.00 72.34 N ATOM 0 H GLN A 26 4.385 -1.287 7.760 1.00 11.03 H new ATOM 0 HA GLN A 26 6.759 -2.805 7.098 1.00 71.15 H new ATOM 0 HB2 GLN A 26 3.807 -3.407 6.726 1.00 32.42 H new ATOM 0 HB3 GLN A 26 5.121 -4.558 6.590 1.00 32.42 H new ATOM 0 HG2 GLN A 26 4.575 -3.013 9.141 1.00 63.01 H new ATOM 0 HG3 GLN A 26 3.794 -4.540 8.783 1.00 63.01 H new ATOM 0 HE21 GLN A 26 6.837 -2.939 9.572 1.00 72.34 H new ATOM 0 HE22 GLN A 26 7.725 -4.407 9.997 1.00 72.34 H new ATOM 452 N ARG A 27 6.917 -2.456 4.632 1.00 31.14 N ATOM 453 CA ARG A 27 7.075 -2.108 3.227 1.00 34.10 C ATOM 454 C ARG A 27 6.906 -3.322 2.320 1.00 13.13 C ATOM 455 O ARG A 27 7.555 -4.352 2.505 1.00 24.32 O ATOM 456 CB ARG A 27 8.445 -1.443 2.995 1.00 52.53 C ATOM 457 CG ARG A 27 8.749 -1.130 1.532 1.00 63.22 C ATOM 458 CD ARG A 27 9.446 -2.294 0.836 1.00 63.11 C ATOM 459 NE ARG A 27 9.443 -2.161 -0.624 1.00 52.00 N ATOM 460 CZ ARG A 27 10.528 -2.303 -1.388 1.00 73.10 C ATOM 461 NH1 ARG A 27 11.719 -2.497 -0.832 1.00 32.31 N ATOM 462 NH2 ARG A 27 10.424 -2.254 -2.712 1.00 3.22 N ATOM 0 H ARG A 27 7.748 -2.857 5.066 1.00 31.14 H new ATOM 0 HA ARG A 27 6.288 -1.399 2.969 1.00 34.10 H new ATOM 0 HB2 ARG A 27 8.489 -0.518 3.570 1.00 52.53 H new ATOM 0 HB3 ARG A 27 9.225 -2.098 3.384 1.00 52.53 H new ATOM 0 HG2 ARG A 27 7.821 -0.898 1.010 1.00 63.22 H new ATOM 0 HG3 ARG A 27 9.379 -0.242 1.474 1.00 63.22 H new ATOM 0 HD2 ARG A 27 10.475 -2.360 1.189 1.00 63.11 H new ATOM 0 HD3 ARG A 27 8.953 -3.226 1.113 1.00 63.11 H new ATOM 0 HE ARG A 27 8.558 -1.947 -1.084 1.00 52.00 H new ATOM 0 HH11 ARG A 27 11.807 -2.538 0.183 1.00 32.31 H new ATOM 0 HH12 ARG A 27 12.545 -2.605 -1.421 1.00 32.31 H new ATOM 0 HH21 ARG A 27 9.513 -2.107 -3.147 1.00 3.22 H new ATOM 0 HH22 ARG A 27 11.255 -2.363 -3.293 1.00 3.22 H new ATOM 476 N ALA A 28 6.038 -3.182 1.333 1.00 3.14 N ATOM 477 CA ALA A 28 5.884 -4.181 0.293 1.00 72.44 C ATOM 478 C ALA A 28 5.670 -3.494 -1.048 1.00 61.21 C ATOM 479 O ALA A 28 5.359 -2.305 -1.097 1.00 15.42 O ATOM 480 CB ALA A 28 4.721 -5.112 0.609 1.00 43.04 C ATOM 0 H ALA A 28 5.423 -2.375 1.231 1.00 3.14 H new ATOM 0 HA ALA A 28 6.792 -4.783 0.244 1.00 72.44 H new ATOM 0 HB1 ALA A 28 4.623 -5.854 -0.184 1.00 43.04 H new ATOM 0 HB2 ALA A 28 4.906 -5.617 1.557 1.00 43.04 H new ATOM 0 HB3 ALA A 28 3.800 -4.533 0.680 1.00 43.04 H new ATOM 486 N GLY A 29 5.869 -4.229 -2.129 1.00 3.35 N ATOM 487 CA GLY A 29 5.583 -3.689 -3.442 1.00 13.43 C ATOM 488 C GLY A 29 6.826 -3.244 -4.190 1.00 12.14 C ATOM 489 O GLY A 29 7.911 -3.134 -3.612 1.00 3.45 O ATOM 0 H GLY A 29 6.222 -5.186 -2.123 1.00 3.35 H new ATOM 0 HA2 GLY A 29 5.062 -4.443 -4.032 1.00 13.43 H new ATOM 0 HA3 GLY A 29 4.906 -2.841 -3.339 1.00 13.43 H new ATOM 493 N THR A 30 6.649 -2.991 -5.479 1.00 54.13 N ATOM 494 CA THR A 30 7.718 -2.545 -6.361 1.00 74.51 C ATOM 495 C THR A 30 8.287 -1.196 -5.887 1.00 71.44 C ATOM 496 O THR A 30 7.570 -0.400 -5.288 1.00 51.00 O ATOM 497 CB THR A 30 7.152 -2.403 -7.789 1.00 60.42 C ATOM 498 OG1 THR A 30 5.930 -3.152 -7.888 1.00 33.10 O ATOM 499 CG2 THR A 30 8.128 -2.913 -8.840 1.00 0.12 C ATOM 0 H THR A 30 5.748 -3.091 -5.947 1.00 54.13 H new ATOM 0 HA THR A 30 8.526 -3.277 -6.348 1.00 74.51 H new ATOM 0 HB THR A 30 6.976 -1.343 -7.975 1.00 60.42 H new ATOM 0 HG1 THR A 30 5.565 -3.064 -8.793 1.00 33.10 H new ATOM 0 HG21 THR A 30 7.690 -2.795 -9.831 1.00 0.12 H new ATOM 0 HG22 THR A 30 9.055 -2.343 -8.783 1.00 0.12 H new ATOM 0 HG23 THR A 30 8.338 -3.967 -8.660 1.00 0.12 H new ATOM 507 N PRO A 31 9.584 -0.924 -6.132 1.00 71.23 N ATOM 508 CA PRO A 31 10.230 0.334 -5.711 1.00 34.33 C ATOM 509 C PRO A 31 9.531 1.597 -6.225 1.00 24.42 C ATOM 510 O PRO A 31 9.765 2.688 -5.712 1.00 45.03 O ATOM 511 CB PRO A 31 11.634 0.234 -6.312 1.00 63.41 C ATOM 512 CG PRO A 31 11.876 -1.225 -6.469 1.00 42.02 C ATOM 513 CD PRO A 31 10.541 -1.824 -6.804 1.00 43.51 C ATOM 0 HA PRO A 31 10.205 0.434 -4.626 1.00 34.33 H new ATOM 0 HB2 PRO A 31 11.692 0.750 -7.270 1.00 63.41 H new ATOM 0 HB3 PRO A 31 12.378 0.690 -5.659 1.00 63.41 H new ATOM 0 HG2 PRO A 31 12.602 -1.419 -7.259 1.00 42.02 H new ATOM 0 HG3 PRO A 31 12.280 -1.656 -5.553 1.00 42.02 H new ATOM 0 HD2 PRO A 31 10.374 -1.857 -7.881 1.00 43.51 H new ATOM 0 HD3 PRO A 31 10.456 -2.847 -6.437 1.00 43.51 H new ATOM 521 N GLN A 32 8.689 1.454 -7.241 1.00 63.10 N ATOM 522 CA GLN A 32 7.962 2.593 -7.798 1.00 31.43 C ATOM 523 C GLN A 32 6.576 2.727 -7.169 1.00 31.25 C ATOM 524 O GLN A 32 5.901 3.741 -7.337 1.00 64.13 O ATOM 525 CB GLN A 32 7.836 2.470 -9.322 1.00 14.43 C ATOM 526 CG GLN A 32 9.149 2.665 -10.066 1.00 41.21 C ATOM 527 CD GLN A 32 10.120 1.514 -9.877 1.00 32.00 C ATOM 528 OE1 GLN A 32 9.719 0.356 -9.745 1.00 71.51 O ATOM 529 NE2 GLN A 32 11.403 1.830 -9.840 1.00 33.13 N ATOM 0 H GLN A 32 8.491 0.563 -7.697 1.00 63.10 H new ATOM 0 HA GLN A 32 8.534 3.491 -7.565 1.00 31.43 H new ATOM 0 HB2 GLN A 32 7.434 1.486 -9.565 1.00 14.43 H new ATOM 0 HB3 GLN A 32 7.115 3.206 -9.678 1.00 14.43 H new ATOM 0 HG2 GLN A 32 8.942 2.786 -11.129 1.00 41.21 H new ATOM 0 HG3 GLN A 32 9.619 3.588 -9.725 1.00 41.21 H new ATOM 0 HE21 GLN A 32 11.692 2.801 -9.954 1.00 33.13 H new ATOM 0 HE22 GLN A 32 12.104 1.102 -9.698 1.00 33.13 H new ATOM 538 N ILE A 33 6.168 1.703 -6.435 1.00 43.13 N ATOM 539 CA ILE A 33 4.865 1.686 -5.783 1.00 24.12 C ATOM 540 C ILE A 33 4.979 0.998 -4.421 1.00 14.33 C ATOM 541 O ILE A 33 4.928 -0.227 -4.309 1.00 13.03 O ATOM 542 CB ILE A 33 3.794 1.003 -6.677 1.00 53.22 C ATOM 543 CG1 ILE A 33 2.470 0.844 -5.921 1.00 2.22 C ATOM 544 CG2 ILE A 33 4.290 -0.341 -7.202 1.00 75.14 C ATOM 545 CD1 ILE A 33 1.364 0.219 -6.744 1.00 44.24 C ATOM 0 H ILE A 33 6.726 0.864 -6.274 1.00 43.13 H new ATOM 0 HA ILE A 33 4.538 2.714 -5.627 1.00 24.12 H new ATOM 0 HB ILE A 33 3.615 1.649 -7.536 1.00 53.22 H new ATOM 0 HG12 ILE A 33 2.640 0.232 -5.035 1.00 2.22 H new ATOM 0 HG13 ILE A 33 2.142 1.824 -5.574 1.00 2.22 H new ATOM 0 HG21 ILE A 33 3.519 -0.795 -7.824 1.00 75.14 H new ATOM 0 HG22 ILE A 33 5.192 -0.190 -7.795 1.00 75.14 H new ATOM 0 HG23 ILE A 33 4.513 -0.999 -6.363 1.00 75.14 H new ATOM 0 HD11 ILE A 33 0.460 0.140 -6.139 1.00 44.24 H new ATOM 0 HD12 ILE A 33 1.164 0.841 -7.617 1.00 44.24 H new ATOM 0 HD13 ILE A 33 1.670 -0.775 -7.070 1.00 44.24 H new ATOM 557 N THR A 34 5.167 1.799 -3.388 1.00 60.23 N ATOM 558 CA THR A 34 5.467 1.275 -2.071 1.00 41.11 C ATOM 559 C THR A 34 4.217 1.187 -1.210 1.00 21.12 C ATOM 560 O THR A 34 3.667 2.205 -0.786 1.00 24.34 O ATOM 561 CB THR A 34 6.520 2.148 -1.369 1.00 11.23 C ATOM 562 OG1 THR A 34 7.641 2.336 -2.242 1.00 33.31 O ATOM 563 CG2 THR A 34 6.989 1.508 -0.073 1.00 32.42 C ATOM 0 H THR A 34 5.117 2.817 -3.437 1.00 60.23 H new ATOM 0 HA THR A 34 5.865 0.269 -2.202 1.00 41.11 H new ATOM 0 HB THR A 34 6.065 3.109 -1.130 1.00 11.23 H new ATOM 0 HG1 THR A 34 8.456 2.446 -1.709 1.00 33.31 H new ATOM 0 HG21 THR A 34 7.733 2.148 0.401 1.00 32.42 H new ATOM 0 HG22 THR A 34 6.140 1.381 0.598 1.00 32.42 H new ATOM 0 HG23 THR A 34 7.431 0.535 -0.287 1.00 32.42 H new ATOM 571 N ILE A 35 3.769 -0.033 -0.967 1.00 23.42 N ATOM 572 CA ILE A 35 2.631 -0.268 -0.098 1.00 42.31 C ATOM 573 C ILE A 35 3.102 -0.292 1.350 1.00 23.04 C ATOM 574 O ILE A 35 3.907 -1.141 1.737 1.00 22.33 O ATOM 575 CB ILE A 35 1.904 -1.601 -0.420 1.00 71.30 C ATOM 576 CG1 ILE A 35 1.328 -1.598 -1.843 1.00 21.12 C ATOM 577 CG2 ILE A 35 0.795 -1.868 0.590 1.00 51.23 C ATOM 578 CD1 ILE A 35 2.341 -1.900 -2.930 1.00 44.24 C ATOM 0 H ILE A 35 4.179 -0.879 -1.362 1.00 23.42 H new ATOM 0 HA ILE A 35 1.920 0.542 -0.262 1.00 42.31 H new ATOM 0 HB ILE A 35 2.643 -2.399 -0.354 1.00 71.30 H new ATOM 0 HG12 ILE A 35 0.524 -2.332 -1.898 1.00 21.12 H new ATOM 0 HG13 ILE A 35 0.882 -0.623 -2.039 1.00 21.12 H new ATOM 0 HG21 ILE A 35 0.299 -2.807 0.346 1.00 51.23 H new ATOM 0 HG22 ILE A 35 1.222 -1.933 1.591 1.00 51.23 H new ATOM 0 HG23 ILE A 35 0.070 -1.055 0.557 1.00 51.23 H new ATOM 0 HD11 ILE A 35 1.849 -1.877 -3.902 1.00 44.24 H new ATOM 0 HD12 ILE A 35 3.133 -1.152 -2.907 1.00 44.24 H new ATOM 0 HD13 ILE A 35 2.770 -2.888 -2.763 1.00 44.24 H new ATOM 590 N LEU A 36 2.622 0.661 2.134 1.00 32.23 N ATOM 591 CA LEU A 36 2.987 0.755 3.537 1.00 4.52 C ATOM 592 C LEU A 36 1.757 0.573 4.410 1.00 61.24 C ATOM 593 O LEU A 36 0.663 1.017 4.057 1.00 42.22 O ATOM 594 CB LEU A 36 3.637 2.109 3.833 1.00 60.43 C ATOM 595 CG LEU A 36 4.939 2.391 3.081 1.00 21.50 C ATOM 596 CD1 LEU A 36 5.430 3.797 3.384 1.00 42.40 C ATOM 597 CD2 LEU A 36 6.002 1.368 3.450 1.00 50.43 C ATOM 0 H LEU A 36 1.975 1.384 1.819 1.00 32.23 H new ATOM 0 HA LEU A 36 3.705 -0.035 3.760 1.00 4.52 H new ATOM 0 HB2 LEU A 36 2.922 2.896 3.594 1.00 60.43 H new ATOM 0 HB3 LEU A 36 3.835 2.172 4.903 1.00 60.43 H new ATOM 0 HG LEU A 36 4.743 2.313 2.012 1.00 21.50 H new ATOM 0 HD11 LEU A 36 6.357 3.983 2.842 1.00 42.40 H new ATOM 0 HD12 LEU A 36 4.676 4.520 3.073 1.00 42.40 H new ATOM 0 HD13 LEU A 36 5.609 3.897 4.455 1.00 42.40 H new ATOM 0 HD21 LEU A 36 6.921 1.585 2.905 1.00 50.43 H new ATOM 0 HD22 LEU A 36 6.196 1.415 4.522 1.00 50.43 H new ATOM 0 HD23 LEU A 36 5.652 0.369 3.188 1.00 50.43 H new ATOM 609 N GLY A 37 1.926 -0.088 5.539 1.00 35.43 N ATOM 610 CA GLY A 37 0.817 -0.273 6.444 1.00 33.45 C ATOM 611 C GLY A 37 1.234 -0.902 7.750 1.00 40.44 C ATOM 612 O GLY A 37 2.418 -1.181 7.970 1.00 32.34 O ATOM 0 H GLY A 37 2.808 -0.499 5.845 1.00 35.43 H new ATOM 0 HA2 GLY A 37 0.350 0.692 6.642 1.00 33.45 H new ATOM 0 HA3 GLY A 37 0.064 -0.900 5.967 1.00 33.45 H new ATOM 616 N ARG A 38 0.258 -1.117 8.616 1.00 62.44 N ATOM 617 CA ARG A 38 0.493 -1.744 9.898 1.00 33.43 C ATOM 618 C ARG A 38 -0.777 -2.450 10.351 1.00 63.35 C ATOM 619 O ARG A 38 -1.877 -2.079 9.937 1.00 0.00 O ATOM 620 CB ARG A 38 0.929 -0.707 10.943 1.00 62.22 C ATOM 621 CG ARG A 38 1.643 -1.328 12.133 1.00 30.33 C ATOM 622 CD ARG A 38 2.955 -1.965 11.705 1.00 21.11 C ATOM 623 NE ARG A 38 3.470 -2.909 12.695 1.00 1.25 N ATOM 624 CZ ARG A 38 4.766 -3.098 12.935 1.00 23.02 C ATOM 625 NH1 ARG A 38 5.668 -2.325 12.343 1.00 74.22 N ATOM 626 NH2 ARG A 38 5.152 -4.051 13.777 1.00 61.24 N ATOM 0 H ARG A 38 -0.715 -0.861 8.448 1.00 62.44 H new ATOM 0 HA ARG A 38 1.298 -2.472 9.794 1.00 33.43 H new ATOM 0 HB2 ARG A 38 1.588 0.022 10.471 1.00 62.22 H new ATOM 0 HB3 ARG A 38 0.052 -0.163 11.295 1.00 62.22 H new ATOM 0 HG2 ARG A 38 1.834 -0.564 12.887 1.00 30.33 H new ATOM 0 HG3 ARG A 38 1.003 -2.079 12.595 1.00 30.33 H new ATOM 0 HD2 ARG A 38 2.811 -2.482 10.756 1.00 21.11 H new ATOM 0 HD3 ARG A 38 3.695 -1.184 11.534 1.00 21.11 H new ATOM 0 HE ARG A 38 2.797 -3.455 13.233 1.00 1.25 H new ATOM 0 HH11 ARG A 38 5.368 -1.588 11.705 1.00 74.22 H new ATOM 0 HH12 ARG A 38 6.661 -2.468 12.526 1.00 74.22 H new ATOM 0 HH21 ARG A 38 4.456 -4.637 14.238 1.00 61.24 H new ATOM 0 HH22 ARG A 38 6.144 -4.197 13.962 1.00 61.24 H new ATOM 640 N LEU A 39 -0.618 -3.476 11.175 1.00 44.24 N ATOM 641 CA LEU A 39 -1.753 -4.227 11.695 1.00 64.20 C ATOM 642 C LEU A 39 -2.643 -3.327 12.553 1.00 22.03 C ATOM 643 O LEU A 39 -2.184 -2.713 13.514 1.00 1.24 O ATOM 644 CB LEU A 39 -1.284 -5.466 12.490 1.00 1.00 C ATOM 645 CG LEU A 39 -0.595 -5.218 13.845 1.00 75.34 C ATOM 646 CD1 LEU A 39 -0.247 -6.542 14.502 1.00 33.52 C ATOM 647 CD2 LEU A 39 0.664 -4.378 13.696 1.00 0.32 C ATOM 0 H LEU A 39 0.290 -3.809 11.499 1.00 44.24 H new ATOM 0 HA LEU A 39 -2.342 -4.582 10.849 1.00 64.20 H new ATOM 0 HB2 LEU A 39 -2.151 -6.103 12.664 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -0.596 -6.030 11.860 1.00 1.00 H new ATOM 0 HG LEU A 39 -1.296 -4.666 14.471 1.00 75.34 H new ATOM 0 HD11 LEU A 39 0.240 -6.356 15.459 1.00 33.52 H new ATOM 0 HD12 LEU A 39 -1.158 -7.118 14.664 1.00 33.52 H new ATOM 0 HD13 LEU A 39 0.427 -7.103 13.855 1.00 33.52 H new ATOM 0 HD21 LEU A 39 1.119 -4.227 14.675 1.00 0.32 H new ATOM 0 HD22 LEU A 39 1.370 -4.893 13.044 1.00 0.32 H new ATOM 0 HD23 LEU A 39 0.407 -3.412 13.262 1.00 0.32 H new ATOM 659 N ASN A 40 -3.911 -3.235 12.176 1.00 44.14 N ATOM 660 CA ASN A 40 -4.859 -2.375 12.875 1.00 62.12 C ATOM 661 C ASN A 40 -6.245 -3.007 12.883 1.00 11.20 C ATOM 662 O ASN A 40 -6.676 -3.598 11.891 1.00 10.31 O ATOM 663 CB ASN A 40 -4.914 -0.993 12.211 1.00 53.14 C ATOM 664 CG ASN A 40 -5.876 -0.041 12.905 1.00 73.03 C ATOM 665 OD1 ASN A 40 -6.094 -0.126 14.110 1.00 41.11 O ATOM 666 ND2 ASN A 40 -6.451 0.882 12.146 1.00 50.04 N ATOM 0 H ASN A 40 -4.309 -3.746 11.388 1.00 44.14 H new ATOM 0 HA ASN A 40 -4.523 -2.257 13.905 1.00 62.12 H new ATOM 0 HB2 ASN A 40 -3.915 -0.556 12.210 1.00 53.14 H new ATOM 0 HB3 ASN A 40 -5.213 -1.108 11.169 1.00 53.14 H new ATOM 0 HD21 ASN A 40 -7.099 1.552 12.560 1.00 50.04 H new ATOM 0 HD22 ASN A 40 -6.245 0.922 11.148 1.00 50.04 H new ATOM 673 N SER A 41 -6.932 -2.887 14.007 1.00 73.04 N ATOM 674 CA SER A 41 -8.266 -3.444 14.154 1.00 64.23 C ATOM 675 C SER A 41 -9.316 -2.360 13.942 1.00 32.42 C ATOM 676 O SER A 41 -9.544 -1.530 14.820 1.00 74.24 O ATOM 677 CB SER A 41 -8.424 -4.058 15.543 1.00 24.13 C ATOM 678 OG SER A 41 -7.323 -4.892 15.850 1.00 61.11 O ATOM 0 H SER A 41 -6.585 -2.405 14.836 1.00 73.04 H new ATOM 0 HA SER A 41 -8.407 -4.221 13.403 1.00 64.23 H new ATOM 0 HB2 SER A 41 -8.506 -3.267 16.288 1.00 24.13 H new ATOM 0 HB3 SER A 41 -9.347 -4.635 15.588 1.00 24.13 H new ATOM 0 HG SER A 41 -7.442 -5.275 16.744 1.00 61.11 H new ATOM 684 N LEU A 42 -9.944 -2.359 12.774 1.00 13.11 N ATOM 685 CA LEU A 42 -10.956 -1.358 12.468 1.00 10.12 C ATOM 686 C LEU A 42 -12.005 -1.936 11.526 1.00 33.31 C ATOM 687 O LEU A 42 -13.203 -1.832 11.781 1.00 51.43 O ATOM 688 CB LEU A 42 -10.304 -0.114 11.841 1.00 25.32 C ATOM 689 CG LEU A 42 -11.029 1.223 12.081 1.00 14.24 C ATOM 690 CD1 LEU A 42 -12.374 1.273 11.371 1.00 14.22 C ATOM 691 CD2 LEU A 42 -11.216 1.467 13.572 1.00 30.40 C ATOM 0 H LEU A 42 -9.773 -3.034 12.029 1.00 13.11 H new ATOM 0 HA LEU A 42 -11.446 -1.064 13.396 1.00 10.12 H new ATOM 0 HB2 LEU A 42 -9.288 -0.028 12.226 1.00 25.32 H new ATOM 0 HB3 LEU A 42 -10.224 -0.273 10.766 1.00 25.32 H new ATOM 0 HG LEU A 42 -10.403 2.012 11.664 1.00 14.24 H new ATOM 0 HD11 LEU A 42 -12.853 2.233 11.566 1.00 14.22 H new ATOM 0 HD12 LEU A 42 -12.224 1.154 10.298 1.00 14.22 H new ATOM 0 HD13 LEU A 42 -13.010 0.468 11.740 1.00 14.22 H new ATOM 0 HD21 LEU A 42 -11.730 2.416 13.724 1.00 30.40 H new ATOM 0 HD22 LEU A 42 -11.810 0.660 14.001 1.00 30.40 H new ATOM 0 HD23 LEU A 42 -10.242 1.500 14.060 1.00 30.40 H new ATOM 703 N GLY A 43 -11.550 -2.565 10.453 1.00 73.22 N ATOM 704 CA GLY A 43 -12.468 -3.030 9.435 1.00 2.40 C ATOM 705 C GLY A 43 -12.619 -2.004 8.336 1.00 41.44 C ATOM 706 O GLY A 43 -13.711 -1.780 7.816 1.00 1.31 O ATOM 0 H GLY A 43 -10.566 -2.761 10.269 1.00 73.22 H new ATOM 0 HA2 GLY A 43 -12.106 -3.968 9.015 1.00 2.40 H new ATOM 0 HA3 GLY A 43 -13.440 -3.235 9.883 1.00 2.40 H new ATOM 710 N HIS A 44 -11.503 -1.394 7.976 1.00 21.30 N ATOM 711 CA HIS A 44 -11.493 -0.294 7.027 1.00 64.05 C ATOM 712 C HIS A 44 -10.425 -0.527 5.968 1.00 63.00 C ATOM 713 O HIS A 44 -9.294 -0.091 6.126 1.00 2.24 O ATOM 714 CB HIS A 44 -11.239 1.022 7.777 1.00 75.24 C ATOM 715 CG HIS A 44 -11.206 2.257 6.920 1.00 22.43 C ATOM 716 ND1 HIS A 44 -12.307 3.055 6.713 1.00 50.10 N ATOM 717 CD2 HIS A 44 -10.183 2.862 6.265 1.00 54.13 C ATOM 718 CE1 HIS A 44 -11.968 4.091 5.973 1.00 51.53 C ATOM 719 NE2 HIS A 44 -10.683 4.004 5.686 1.00 31.53 N ATOM 0 H HIS A 44 -10.581 -1.646 8.332 1.00 21.30 H new ATOM 0 HA HIS A 44 -12.459 -0.234 6.526 1.00 64.05 H new ATOM 0 HB2 HIS A 44 -12.015 1.145 8.533 1.00 75.24 H new ATOM 0 HB3 HIS A 44 -10.289 0.942 8.306 1.00 75.24 H new ATOM 0 HD2 HIS A 44 -9.163 2.511 6.209 1.00 54.13 H new ATOM 0 HE1 HIS A 44 -12.632 4.881 5.654 1.00 51.53 H new ATOM 0 HE2 HIS A 44 -10.150 4.672 5.128 1.00 31.53 H new ATOM 728 N PRO A 45 -10.755 -1.268 4.905 1.00 11.54 N ATOM 729 CA PRO A 45 -9.850 -1.512 3.797 1.00 4.40 C ATOM 730 C PRO A 45 -10.082 -0.545 2.637 1.00 43.41 C ATOM 731 O PRO A 45 -10.960 -0.763 1.794 1.00 32.44 O ATOM 732 CB PRO A 45 -10.208 -2.947 3.389 1.00 51.41 C ATOM 733 CG PRO A 45 -11.603 -3.191 3.900 1.00 11.15 C ATOM 734 CD PRO A 45 -12.019 -1.974 4.698 1.00 23.42 C ATOM 0 HA PRO A 45 -8.804 -1.373 4.068 1.00 4.40 H new ATOM 0 HB2 PRO A 45 -10.163 -3.067 2.307 1.00 51.41 H new ATOM 0 HB3 PRO A 45 -9.505 -3.661 3.818 1.00 51.41 H new ATOM 0 HG2 PRO A 45 -12.290 -3.358 3.071 1.00 11.15 H new ATOM 0 HG3 PRO A 45 -11.631 -4.085 4.523 1.00 11.15 H new ATOM 0 HD2 PRO A 45 -12.739 -1.362 4.155 1.00 23.42 H new ATOM 0 HD3 PRO A 45 -12.486 -2.251 5.643 1.00 23.42 H new ATOM 742 N ARG A 46 -9.325 0.540 2.614 1.00 51.20 N ATOM 743 CA ARG A 46 -9.417 1.510 1.536 1.00 30.40 C ATOM 744 C ARG A 46 -8.165 1.472 0.675 1.00 11.52 C ATOM 745 O ARG A 46 -7.340 0.568 0.794 1.00 50.03 O ATOM 746 CB ARG A 46 -9.631 2.920 2.095 1.00 50.21 C ATOM 747 CG ARG A 46 -11.071 3.225 2.466 1.00 53.12 C ATOM 748 CD ARG A 46 -11.964 3.256 1.236 1.00 24.24 C ATOM 749 NE ARG A 46 -13.317 3.705 1.554 1.00 12.50 N ATOM 750 CZ ARG A 46 -13.991 4.608 0.840 1.00 21.31 C ATOM 751 NH1 ARG A 46 -13.453 5.139 -0.253 1.00 73.24 N ATOM 752 NH2 ARG A 46 -15.208 4.968 1.211 1.00 12.34 N ATOM 0 H ARG A 46 -8.638 0.771 3.332 1.00 51.20 H new ATOM 0 HA ARG A 46 -10.274 1.248 0.916 1.00 30.40 H new ATOM 0 HB2 ARG A 46 -9.004 3.049 2.977 1.00 50.21 H new ATOM 0 HB3 ARG A 46 -9.295 3.648 1.356 1.00 50.21 H new ATOM 0 HG2 ARG A 46 -11.436 2.472 3.164 1.00 53.12 H new ATOM 0 HG3 ARG A 46 -11.121 4.186 2.979 1.00 53.12 H new ATOM 0 HD2 ARG A 46 -11.528 3.919 0.488 1.00 24.24 H new ATOM 0 HD3 ARG A 46 -12.007 2.261 0.794 1.00 24.24 H new ATOM 0 HE ARG A 46 -13.775 3.303 2.372 1.00 12.50 H new ATOM 0 HH11 ARG A 46 -12.519 4.857 -0.551 1.00 73.24 H new ATOM 0 HH12 ARG A 46 -13.974 5.829 -0.794 1.00 73.24 H new ATOM 0 HH21 ARG A 46 -15.631 4.555 2.043 1.00 12.34 H new ATOM 0 HH22 ARG A 46 -15.724 5.658 0.666 1.00 12.34 H new ATOM 766 N ILE A 47 -8.043 2.449 -0.203 1.00 33.23 N ATOM 767 CA ILE A 47 -6.893 2.548 -1.079 1.00 24.12 C ATOM 768 C ILE A 47 -6.188 3.890 -0.858 1.00 33.22 C ATOM 769 O ILE A 47 -6.500 4.900 -1.494 1.00 21.22 O ATOM 770 CB ILE A 47 -7.303 2.350 -2.563 1.00 34.34 C ATOM 771 CG1 ILE A 47 -6.094 2.513 -3.492 1.00 54.44 C ATOM 772 CG2 ILE A 47 -8.437 3.294 -2.958 1.00 63.11 C ATOM 773 CD1 ILE A 47 -6.440 2.411 -4.964 1.00 1.40 C ATOM 0 H ILE A 47 -8.732 3.190 -0.328 1.00 33.23 H new ATOM 0 HA ILE A 47 -6.192 1.750 -0.836 1.00 24.12 H new ATOM 0 HB ILE A 47 -7.674 1.331 -2.673 1.00 34.34 H new ATOM 0 HG12 ILE A 47 -5.629 3.481 -3.303 1.00 54.44 H new ATOM 0 HG13 ILE A 47 -5.354 1.751 -3.248 1.00 54.44 H new ATOM 0 HG21 ILE A 47 -8.700 3.130 -4.003 1.00 63.11 H new ATOM 0 HG22 ILE A 47 -9.307 3.101 -2.330 1.00 63.11 H new ATOM 0 HG23 ILE A 47 -8.115 4.326 -2.823 1.00 63.11 H new ATOM 0 HD11 ILE A 47 -5.536 2.536 -5.560 1.00 1.40 H new ATOM 0 HD12 ILE A 47 -6.877 1.433 -5.168 1.00 1.40 H new ATOM 0 HD13 ILE A 47 -7.157 3.190 -5.224 1.00 1.40 H new ATOM 785 N GLY A 48 -5.263 3.903 0.092 1.00 3.14 N ATOM 786 CA GLY A 48 -4.574 5.131 0.440 1.00 3.42 C ATOM 787 C GLY A 48 -3.467 5.473 -0.534 1.00 23.14 C ATOM 788 O GLY A 48 -2.301 5.550 -0.153 1.00 32.22 O ATOM 0 H GLY A 48 -4.977 3.084 0.629 1.00 3.14 H new ATOM 0 HA2 GLY A 48 -5.292 5.950 0.470 1.00 3.42 H new ATOM 0 HA3 GLY A 48 -4.155 5.037 1.442 1.00 3.42 H new ATOM 792 N LEU A 49 -3.830 5.677 -1.792 1.00 1.40 N ATOM 793 CA LEU A 49 -2.861 5.998 -2.829 1.00 33.10 C ATOM 794 C LEU A 49 -2.273 7.385 -2.595 1.00 52.44 C ATOM 795 O LEU A 49 -2.951 8.399 -2.760 1.00 42.44 O ATOM 796 CB LEU A 49 -3.514 5.926 -4.212 1.00 2.12 C ATOM 797 CG LEU A 49 -2.567 6.143 -5.395 1.00 72.11 C ATOM 798 CD1 LEU A 49 -1.502 5.058 -5.437 1.00 2.43 C ATOM 799 CD2 LEU A 49 -3.346 6.180 -6.701 1.00 63.44 C ATOM 0 H LEU A 49 -4.794 5.625 -2.120 1.00 1.40 H new ATOM 0 HA LEU A 49 -2.055 5.266 -2.787 1.00 33.10 H new ATOM 0 HB2 LEU A 49 -3.988 4.951 -4.321 1.00 2.12 H new ATOM 0 HB3 LEU A 49 -4.307 6.673 -4.261 1.00 2.12 H new ATOM 0 HG LEU A 49 -2.069 7.104 -5.264 1.00 72.11 H new ATOM 0 HD11 LEU A 49 -0.840 5.231 -6.285 1.00 2.43 H new ATOM 0 HD12 LEU A 49 -0.923 5.081 -4.514 1.00 2.43 H new ATOM 0 HD13 LEU A 49 -1.979 4.084 -5.542 1.00 2.43 H new ATOM 0 HD21 LEU A 49 -2.657 6.335 -7.531 1.00 63.44 H new ATOM 0 HD22 LEU A 49 -3.872 5.235 -6.838 1.00 63.44 H new ATOM 0 HD23 LEU A 49 -4.068 6.996 -6.671 1.00 63.44 H new ATOM 811 N THR A 50 -1.014 7.419 -2.199 1.00 52.15 N ATOM 812 CA THR A 50 -0.331 8.666 -1.923 1.00 11.43 C ATOM 813 C THR A 50 0.551 9.060 -3.105 1.00 64.04 C ATOM 814 O THR A 50 1.657 8.542 -3.273 1.00 71.45 O ATOM 815 CB THR A 50 0.523 8.543 -0.647 1.00 0.05 C ATOM 816 OG1 THR A 50 -0.269 7.985 0.412 1.00 12.10 O ATOM 817 CG2 THR A 50 1.056 9.899 -0.216 1.00 3.53 C ATOM 0 H THR A 50 -0.440 6.587 -2.061 1.00 52.15 H new ATOM 0 HA THR A 50 -1.081 9.441 -1.768 1.00 11.43 H new ATOM 0 HB THR A 50 1.368 7.890 -0.863 1.00 0.05 H new ATOM 0 HG1 THR A 50 0.277 7.906 1.222 1.00 12.10 H new ATOM 0 HG21 THR A 50 1.655 9.784 0.687 1.00 3.53 H new ATOM 0 HG22 THR A 50 1.674 10.317 -1.011 1.00 3.53 H new ATOM 0 HG23 THR A 50 0.222 10.571 -0.014 1.00 3.53 H new ATOM 825 N VAL A 51 0.041 9.953 -3.937 1.00 74.44 N ATOM 826 CA VAL A 51 0.765 10.390 -5.118 1.00 61.21 C ATOM 827 C VAL A 51 1.381 11.776 -4.915 1.00 55.45 C ATOM 828 O VAL A 51 0.733 12.803 -5.136 1.00 34.12 O ATOM 829 CB VAL A 51 -0.136 10.386 -6.378 1.00 12.40 C ATOM 830 CG1 VAL A 51 -0.358 8.963 -6.870 1.00 10.42 C ATOM 831 CG2 VAL A 51 -1.475 11.062 -6.100 1.00 62.34 C ATOM 0 H VAL A 51 -0.873 10.390 -3.816 1.00 74.44 H new ATOM 0 HA VAL A 51 1.571 9.673 -5.275 1.00 61.21 H new ATOM 0 HB VAL A 51 0.376 10.952 -7.156 1.00 12.40 H new ATOM 0 HG11 VAL A 51 -0.993 8.979 -7.756 1.00 10.42 H new ATOM 0 HG12 VAL A 51 0.602 8.511 -7.120 1.00 10.42 H new ATOM 0 HG13 VAL A 51 -0.842 8.379 -6.087 1.00 10.42 H new ATOM 0 HG21 VAL A 51 -2.086 11.044 -7.003 1.00 62.34 H new ATOM 0 HG22 VAL A 51 -1.992 10.530 -5.301 1.00 62.34 H new ATOM 0 HG23 VAL A 51 -1.305 12.095 -5.797 1.00 62.34 H new ATOM 841 N ALA A 52 2.630 11.797 -4.474 1.00 20.32 N ATOM 842 CA ALA A 52 3.342 13.049 -4.264 1.00 11.42 C ATOM 843 C ALA A 52 3.662 13.708 -5.601 1.00 64.12 C ATOM 844 O ALA A 52 4.125 13.051 -6.534 1.00 12.02 O ATOM 845 CB ALA A 52 4.611 12.814 -3.457 1.00 70.43 C ATOM 0 H ALA A 52 3.172 10.961 -4.255 1.00 20.32 H new ATOM 0 HA ALA A 52 2.701 13.723 -3.696 1.00 11.42 H new ATOM 0 HB1 ALA A 52 5.130 13.761 -3.310 1.00 70.43 H new ATOM 0 HB2 ALA A 52 4.352 12.388 -2.488 1.00 70.43 H new ATOM 0 HB3 ALA A 52 5.261 12.124 -3.994 1.00 70.43 H new ATOM 851 N LYS A 53 3.425 15.010 -5.687 1.00 61.21 N ATOM 852 CA LYS A 53 3.572 15.738 -6.946 1.00 21.15 C ATOM 853 C LYS A 53 5.033 16.048 -7.268 1.00 41.00 C ATOM 854 O LYS A 53 5.324 16.771 -8.222 1.00 35.43 O ATOM 855 CB LYS A 53 2.751 17.030 -6.906 1.00 42.11 C ATOM 856 CG LYS A 53 3.056 17.917 -5.709 1.00 23.43 C ATOM 857 CD LYS A 53 2.187 19.162 -5.709 1.00 21.42 C ATOM 858 CE LYS A 53 2.436 20.018 -4.480 1.00 73.34 C ATOM 859 NZ LYS A 53 1.606 21.251 -4.489 1.00 42.12 N ATOM 0 H LYS A 53 3.129 15.587 -4.900 1.00 61.21 H new ATOM 0 HA LYS A 53 3.197 15.094 -7.741 1.00 21.15 H new ATOM 0 HB2 LYS A 53 2.935 17.594 -7.820 1.00 42.11 H new ATOM 0 HB3 LYS A 53 1.691 16.775 -6.896 1.00 42.11 H new ATOM 0 HG2 LYS A 53 2.893 17.357 -4.788 1.00 23.43 H new ATOM 0 HG3 LYS A 53 4.107 18.205 -5.725 1.00 23.43 H new ATOM 0 HD2 LYS A 53 2.388 19.746 -6.607 1.00 21.42 H new ATOM 0 HD3 LYS A 53 1.137 18.873 -5.745 1.00 21.42 H new ATOM 0 HE2 LYS A 53 2.217 19.439 -3.583 1.00 73.34 H new ATOM 0 HE3 LYS A 53 3.491 20.290 -4.434 1.00 73.34 H new ATOM 0 HZ1 LYS A 53 1.804 21.809 -3.634 1.00 42.12 H new ATOM 0 HZ2 LYS A 53 1.833 21.816 -5.332 1.00 42.12 H new ATOM 0 HZ3 LYS A 53 0.599 20.992 -4.507 1.00 42.12 H new ATOM 873 N LYS A 54 5.949 15.499 -6.484 1.00 52.32 N ATOM 874 CA LYS A 54 7.371 15.671 -6.750 1.00 71.33 C ATOM 875 C LYS A 54 7.882 14.531 -7.626 1.00 53.12 C ATOM 876 O LYS A 54 8.883 14.667 -8.331 1.00 72.41 O ATOM 877 CB LYS A 54 8.170 15.721 -5.445 1.00 31.33 C ATOM 878 CG LYS A 54 8.147 14.418 -4.658 1.00 35.31 C ATOM 879 CD LYS A 54 9.162 14.425 -3.528 1.00 34.22 C ATOM 880 CE LYS A 54 10.576 14.643 -4.052 1.00 24.20 C ATOM 881 NZ LYS A 54 11.600 14.490 -2.986 1.00 54.45 N ATOM 0 H LYS A 54 5.736 14.933 -5.662 1.00 52.32 H new ATOM 0 HA LYS A 54 7.507 16.617 -7.274 1.00 71.33 H new ATOM 0 HB2 LYS A 54 9.204 15.978 -5.673 1.00 31.33 H new ATOM 0 HB3 LYS A 54 7.774 16.520 -4.818 1.00 31.33 H new ATOM 0 HG2 LYS A 54 7.149 14.257 -4.250 1.00 35.31 H new ATOM 0 HG3 LYS A 54 8.355 13.584 -5.329 1.00 35.31 H new ATOM 0 HD2 LYS A 54 8.911 15.211 -2.816 1.00 34.22 H new ATOM 0 HD3 LYS A 54 9.114 13.479 -2.988 1.00 34.22 H new ATOM 0 HE2 LYS A 54 10.779 13.932 -4.853 1.00 24.20 H new ATOM 0 HE3 LYS A 54 10.651 15.640 -4.485 1.00 24.20 H new ATOM 0 HZ1 LYS A 54 12.546 14.647 -3.388 1.00 54.45 H new ATOM 0 HZ2 LYS A 54 11.424 15.186 -2.233 1.00 54.45 H new ATOM 0 HZ3 LYS A 54 11.547 13.530 -2.589 1.00 54.45 H new ATOM 895 N ASN A 55 7.191 13.400 -7.568 1.00 0.11 N ATOM 896 CA ASN A 55 7.582 12.230 -8.339 1.00 11.12 C ATOM 897 C ASN A 55 6.499 11.865 -9.345 1.00 12.20 C ATOM 898 O ASN A 55 6.776 11.262 -10.381 1.00 35.33 O ATOM 899 CB ASN A 55 7.892 11.050 -7.410 1.00 23.14 C ATOM 900 CG ASN A 55 6.724 10.665 -6.523 1.00 25.34 C ATOM 901 OD1 ASN A 55 6.522 11.247 -5.460 1.00 73.45 O ATOM 902 ND2 ASN A 55 5.963 9.667 -6.939 1.00 41.43 N ATOM 0 H ASN A 55 6.357 13.269 -6.995 1.00 0.11 H new ATOM 0 HA ASN A 55 8.490 12.469 -8.893 1.00 11.12 H new ATOM 0 HB2 ASN A 55 8.182 10.189 -8.012 1.00 23.14 H new ATOM 0 HB3 ASN A 55 8.747 11.304 -6.784 1.00 23.14 H new ATOM 0 HD21 ASN A 55 5.175 9.355 -6.371 1.00 41.43 H new ATOM 0 HD22 ASN A 55 6.163 9.209 -7.828 1.00 41.43 H new ATOM 909 N VAL A 56 5.261 12.224 -9.037 1.00 22.24 N ATOM 910 CA VAL A 56 4.174 12.090 -9.992 1.00 70.05 C ATOM 911 C VAL A 56 3.946 13.441 -10.656 1.00 44.44 C ATOM 912 O VAL A 56 3.961 14.472 -9.981 1.00 43.32 O ATOM 913 CB VAL A 56 2.863 11.610 -9.320 1.00 14.31 C ATOM 914 CG1 VAL A 56 1.810 11.259 -10.362 1.00 11.35 C ATOM 915 CG2 VAL A 56 3.126 10.419 -8.412 1.00 4.33 C ATOM 0 H VAL A 56 4.986 12.610 -8.134 1.00 22.24 H new ATOM 0 HA VAL A 56 4.453 11.337 -10.729 1.00 70.05 H new ATOM 0 HB VAL A 56 2.481 12.431 -8.713 1.00 14.31 H new ATOM 0 HG11 VAL A 56 0.901 10.925 -9.862 1.00 11.35 H new ATOM 0 HG12 VAL A 56 1.590 12.138 -10.967 1.00 11.35 H new ATOM 0 HG13 VAL A 56 2.185 10.462 -11.004 1.00 11.35 H new ATOM 0 HG21 VAL A 56 2.191 10.099 -7.951 1.00 4.33 H new ATOM 0 HG22 VAL A 56 3.540 9.599 -8.998 1.00 4.33 H new ATOM 0 HG23 VAL A 56 3.835 10.704 -7.635 1.00 4.33 H new ATOM 925 N ARG A 57 3.754 13.439 -11.969 1.00 72.13 N ATOM 926 CA ARG A 57 3.630 14.684 -12.731 1.00 74.20 C ATOM 927 C ARG A 57 2.356 15.442 -12.352 1.00 24.31 C ATOM 928 O ARG A 57 2.192 16.611 -12.703 1.00 61.02 O ATOM 929 CB ARG A 57 3.659 14.395 -14.232 1.00 62.52 C ATOM 930 CG ARG A 57 4.921 13.678 -14.684 1.00 63.32 C ATOM 931 CD ARG A 57 4.821 13.229 -16.132 1.00 24.10 C ATOM 932 NE ARG A 57 4.704 14.357 -17.054 1.00 20.11 N ATOM 933 CZ ARG A 57 4.135 14.279 -18.258 1.00 73.35 C ATOM 934 NH1 ARG A 57 3.568 13.149 -18.664 1.00 34.04 N ATOM 935 NH2 ARG A 57 4.126 15.333 -19.061 1.00 55.45 N ATOM 0 H ARG A 57 3.680 12.592 -12.532 1.00 72.13 H new ATOM 0 HA ARG A 57 4.481 15.318 -12.481 1.00 74.20 H new ATOM 0 HB2 ARG A 57 2.792 13.789 -14.495 1.00 62.52 H new ATOM 0 HB3 ARG A 57 3.569 15.334 -14.777 1.00 62.52 H new ATOM 0 HG2 ARG A 57 5.779 14.341 -14.566 1.00 63.32 H new ATOM 0 HG3 ARG A 57 5.097 12.812 -14.045 1.00 63.32 H new ATOM 0 HD2 ARG A 57 5.702 12.641 -16.390 1.00 24.10 H new ATOM 0 HD3 ARG A 57 3.957 12.575 -16.249 1.00 24.10 H new ATOM 0 HE ARG A 57 5.080 15.258 -16.759 1.00 20.11 H new ATOM 0 HH11 ARG A 57 3.565 12.332 -18.054 1.00 34.04 H new ATOM 0 HH12 ARG A 57 3.135 13.098 -19.586 1.00 34.04 H new ATOM 0 HH21 ARG A 57 4.555 16.208 -18.759 1.00 55.45 H new ATOM 0 HH22 ARG A 57 3.690 15.270 -19.981 1.00 55.45 H new ATOM 949 N ARG A 58 1.453 14.745 -11.661 1.00 35.14 N ATOM 950 CA ARG A 58 0.281 15.354 -11.028 1.00 33.33 C ATOM 951 C ARG A 58 -0.782 15.738 -12.063 1.00 22.23 C ATOM 952 O ARG A 58 -1.616 16.611 -11.822 1.00 41.44 O ATOM 953 CB ARG A 58 0.709 16.580 -10.204 1.00 51.41 C ATOM 954 CG ARG A 58 -0.351 17.102 -9.244 1.00 55.44 C ATOM 955 CD ARG A 58 -0.671 16.093 -8.153 1.00 0.23 C ATOM 956 NE ARG A 58 -1.665 16.613 -7.218 1.00 53.53 N ATOM 957 CZ ARG A 58 -1.857 16.151 -5.984 1.00 44.35 C ATOM 958 NH1 ARG A 58 -1.126 15.147 -5.509 1.00 41.54 N ATOM 959 NH2 ARG A 58 -2.786 16.706 -5.220 1.00 61.15 N ATOM 0 H ARG A 58 1.514 13.736 -11.524 1.00 35.14 H new ATOM 0 HA ARG A 58 -0.168 14.617 -10.362 1.00 33.33 H new ATOM 0 HB2 ARG A 58 1.602 16.324 -9.634 1.00 51.41 H new ATOM 0 HB3 ARG A 58 0.987 17.382 -10.888 1.00 51.41 H new ATOM 0 HG2 ARG A 58 -0.005 18.030 -8.790 1.00 55.44 H new ATOM 0 HG3 ARG A 58 -1.259 17.338 -9.799 1.00 55.44 H new ATOM 0 HD2 ARG A 58 -1.041 15.173 -8.604 1.00 0.23 H new ATOM 0 HD3 ARG A 58 0.241 15.839 -7.612 1.00 0.23 H new ATOM 0 HE ARG A 58 -2.254 17.384 -7.532 1.00 53.53 H new ATOM 0 HH11 ARG A 58 -0.406 14.720 -6.092 1.00 41.54 H new ATOM 0 HH12 ARG A 58 -1.285 14.804 -4.562 1.00 41.54 H new ATOM 0 HH21 ARG A 58 -3.346 17.479 -5.579 1.00 61.15 H new ATOM 0 HH22 ARG A 58 -2.941 16.360 -4.273 1.00 61.15 H new ATOM 973 N ALA A 59 -0.780 15.063 -13.205 1.00 32.33 N ATOM 974 CA ALA A 59 -1.756 15.361 -14.242 1.00 63.50 C ATOM 975 C ALA A 59 -2.612 14.142 -14.590 1.00 42.35 C ATOM 976 O ALA A 59 -3.661 13.915 -13.985 1.00 53.44 O ATOM 977 CB ALA A 59 -1.066 15.913 -15.482 1.00 72.34 C ATOM 0 H ALA A 59 -0.124 14.317 -13.434 1.00 32.33 H new ATOM 0 HA ALA A 59 -2.429 16.123 -13.850 1.00 63.50 H new ATOM 0 HB1 ALA A 59 -1.812 16.130 -16.247 1.00 72.34 H new ATOM 0 HB2 ALA A 59 -0.533 16.828 -15.225 1.00 72.34 H new ATOM 0 HB3 ALA A 59 -0.359 15.176 -15.863 1.00 72.34 H new ATOM 983 N HIS A 60 -2.149 13.338 -15.540 1.00 72.14 N ATOM 984 CA HIS A 60 -2.952 12.238 -16.077 1.00 64.44 C ATOM 985 C HIS A 60 -2.439 10.901 -15.569 1.00 73.54 C ATOM 986 O HIS A 60 -3.155 9.900 -15.563 1.00 51.12 O ATOM 987 CB HIS A 60 -2.909 12.251 -17.609 1.00 25.24 C ATOM 988 CG HIS A 60 -3.373 13.534 -18.223 1.00 64.05 C ATOM 989 ND1 HIS A 60 -2.510 14.500 -18.697 1.00 61.51 N ATOM 990 CD2 HIS A 60 -4.620 14.003 -18.448 1.00 64.24 C ATOM 991 CE1 HIS A 60 -3.209 15.506 -19.187 1.00 12.20 C ATOM 992 NE2 HIS A 60 -4.493 15.231 -19.047 1.00 34.44 N ATOM 0 H HIS A 60 -1.222 13.425 -15.956 1.00 72.14 H new ATOM 0 HA HIS A 60 -3.980 12.373 -15.741 1.00 64.44 H new ATOM 0 HB2 HIS A 60 -1.888 12.053 -17.935 1.00 25.24 H new ATOM 0 HB3 HIS A 60 -3.527 11.436 -17.986 1.00 25.24 H new ATOM 0 HD2 HIS A 60 -5.546 13.504 -18.202 1.00 64.24 H new ATOM 0 HE1 HIS A 60 -2.800 16.403 -19.628 1.00 12.20 H new ATOM 0 HE2 HIS A 60 -5.264 15.833 -19.337 1.00 34.44 H new ATOM 1001 N GLU A 61 -1.193 10.910 -15.134 1.00 31.15 N ATOM 1002 CA GLU A 61 -0.497 9.711 -14.685 1.00 24.52 C ATOM 1003 C GLU A 61 -1.242 9.067 -13.526 1.00 32.14 C ATOM 1004 O GLU A 61 -1.474 7.858 -13.512 1.00 14.00 O ATOM 1005 CB GLU A 61 0.932 10.052 -14.234 1.00 43.35 C ATOM 1006 CG GLU A 61 1.649 11.085 -15.103 1.00 11.53 C ATOM 1007 CD GLU A 61 1.060 12.476 -14.960 1.00 21.25 C ATOM 1008 OE1 GLU A 61 0.975 12.972 -13.821 1.00 53.20 O ATOM 1009 OE2 GLU A 61 0.630 13.054 -15.979 1.00 4.14 O ATOM 0 H GLU A 61 -0.627 11.757 -15.081 1.00 31.15 H new ATOM 0 HA GLU A 61 -0.455 9.015 -15.523 1.00 24.52 H new ATOM 0 HB2 GLU A 61 0.896 10.422 -13.209 1.00 43.35 H new ATOM 0 HB3 GLU A 61 1.522 9.136 -14.221 1.00 43.35 H new ATOM 0 HG2 GLU A 61 2.705 11.112 -14.833 1.00 11.53 H new ATOM 0 HG3 GLU A 61 1.595 10.777 -16.147 1.00 11.53 H new ATOM 1016 N ARG A 62 -1.645 9.897 -12.567 1.00 20.44 N ATOM 1017 CA ARG A 62 -2.303 9.416 -11.360 1.00 74.43 C ATOM 1018 C ARG A 62 -3.647 8.764 -11.694 1.00 1.35 C ATOM 1019 O ARG A 62 -4.166 7.966 -10.917 1.00 73.11 O ATOM 1020 CB ARG A 62 -2.464 10.564 -10.340 1.00 34.04 C ATOM 1021 CG ARG A 62 -3.900 10.995 -10.050 1.00 10.45 C ATOM 1022 CD ARG A 62 -4.463 11.918 -11.124 1.00 54.33 C ATOM 1023 NE ARG A 62 -5.835 12.310 -10.817 1.00 31.33 N ATOM 1024 CZ ARG A 62 -6.579 13.118 -11.569 1.00 11.04 C ATOM 1025 NH1 ARG A 62 -6.087 13.665 -12.672 1.00 43.22 N ATOM 1026 NH2 ARG A 62 -7.821 13.397 -11.204 1.00 2.32 N ATOM 0 H ARG A 62 -1.526 10.909 -12.605 1.00 20.44 H new ATOM 0 HA ARG A 62 -1.676 8.650 -10.903 1.00 74.43 H new ATOM 0 HB2 ARG A 62 -1.999 10.260 -9.402 1.00 34.04 H new ATOM 0 HB3 ARG A 62 -1.911 11.430 -10.704 1.00 34.04 H new ATOM 0 HG2 ARG A 62 -4.532 10.110 -9.969 1.00 10.45 H new ATOM 0 HG3 ARG A 62 -3.936 11.502 -9.086 1.00 10.45 H new ATOM 0 HD2 ARG A 62 -3.838 12.807 -11.207 1.00 54.33 H new ATOM 0 HD3 ARG A 62 -4.433 11.416 -12.091 1.00 54.33 H new ATOM 0 HE ARG A 62 -6.254 11.938 -9.965 1.00 31.33 H new ATOM 0 HH11 ARG A 62 -5.127 13.469 -12.954 1.00 43.22 H new ATOM 0 HH12 ARG A 62 -6.669 14.282 -13.238 1.00 43.22 H new ATOM 0 HH21 ARG A 62 -8.204 12.993 -10.349 1.00 2.32 H new ATOM 0 HH22 ARG A 62 -8.394 14.016 -11.777 1.00 2.32 H new ATOM 1040 N ASN A 63 -4.189 9.090 -12.865 1.00 24.01 N ATOM 1041 CA ASN A 63 -5.465 8.528 -13.292 1.00 54.42 C ATOM 1042 C ASN A 63 -5.303 7.050 -13.624 1.00 41.22 C ATOM 1043 O ASN A 63 -6.151 6.234 -13.279 1.00 33.41 O ATOM 1044 CB ASN A 63 -6.016 9.284 -14.506 1.00 12.04 C ATOM 1045 CG ASN A 63 -7.396 8.804 -14.916 1.00 22.50 C ATOM 1046 OD1 ASN A 63 -8.192 8.375 -14.083 1.00 43.44 O ATOM 1047 ND2 ASN A 63 -7.688 8.872 -16.206 1.00 11.02 N ATOM 0 H ASN A 63 -3.766 9.737 -13.531 1.00 24.01 H new ATOM 0 HA ASN A 63 -6.176 8.633 -12.472 1.00 54.42 H new ATOM 0 HB2 ASN A 63 -6.059 10.349 -14.277 1.00 12.04 H new ATOM 0 HB3 ASN A 63 -5.330 9.166 -15.345 1.00 12.04 H new ATOM 0 HD21 ASN A 63 -8.601 8.562 -16.539 1.00 11.02 H new ATOM 0 HD22 ASN A 63 -7.000 9.234 -16.866 1.00 11.02 H new ATOM 1054 N ARG A 64 -4.194 6.713 -14.275 1.00 24.33 N ATOM 1055 CA ARG A 64 -3.902 5.322 -14.607 1.00 60.24 C ATOM 1056 C ARG A 64 -3.552 4.548 -13.339 1.00 51.13 C ATOM 1057 O ARG A 64 -3.972 3.404 -13.153 1.00 41.42 O ATOM 1058 CB ARG A 64 -2.745 5.230 -15.610 1.00 10.21 C ATOM 1059 CG ARG A 64 -2.444 3.804 -16.056 1.00 52.12 C ATOM 1060 CD ARG A 64 -1.137 3.704 -16.834 1.00 61.11 C ATOM 1061 NE ARG A 64 -1.165 4.455 -18.092 1.00 72.50 N ATOM 1062 CZ ARG A 64 -0.984 3.906 -19.296 1.00 11.41 C ATOM 1063 NH1 ARG A 64 -0.817 2.592 -19.416 1.00 73.32 N ATOM 1064 NH2 ARG A 64 -0.969 4.676 -20.376 1.00 54.10 N ATOM 0 H ARG A 64 -3.486 7.380 -14.582 1.00 24.33 H new ATOM 0 HA ARG A 64 -4.789 4.885 -15.065 1.00 60.24 H new ATOM 0 HB2 ARG A 64 -2.984 5.834 -16.485 1.00 10.21 H new ATOM 0 HB3 ARG A 64 -1.849 5.659 -15.161 1.00 10.21 H new ATOM 0 HG2 ARG A 64 -2.394 3.155 -15.182 1.00 52.12 H new ATOM 0 HG3 ARG A 64 -3.262 3.440 -16.677 1.00 52.12 H new ATOM 0 HD2 ARG A 64 -0.321 4.074 -16.213 1.00 61.11 H new ATOM 0 HD3 ARG A 64 -0.925 2.656 -17.047 1.00 61.11 H new ATOM 0 HE ARG A 64 -1.333 5.460 -18.045 1.00 72.50 H new ATOM 0 HH11 ARG A 64 -0.827 1.999 -18.586 1.00 73.32 H new ATOM 0 HH12 ARG A 64 -0.679 2.177 -20.338 1.00 73.32 H new ATOM 0 HH21 ARG A 64 -1.095 5.684 -20.285 1.00 54.10 H new ATOM 0 HH22 ARG A 64 -0.831 4.260 -21.297 1.00 54.10 H new ATOM 1078 N ILE A 65 -2.789 5.194 -12.463 1.00 42.23 N ATOM 1079 CA ILE A 65 -2.344 4.575 -11.220 1.00 53.33 C ATOM 1080 C ILE A 65 -3.533 4.185 -10.343 1.00 71.50 C ATOM 1081 O ILE A 65 -3.568 3.086 -9.785 1.00 63.32 O ATOM 1082 CB ILE A 65 -1.400 5.510 -10.426 1.00 63.21 C ATOM 1083 CG1 ILE A 65 -0.230 5.968 -11.303 1.00 2.35 C ATOM 1084 CG2 ILE A 65 -0.879 4.814 -9.177 1.00 13.11 C ATOM 1085 CD1 ILE A 65 0.600 4.830 -11.861 1.00 71.13 C ATOM 0 H ILE A 65 -2.464 6.152 -12.593 1.00 42.23 H new ATOM 0 HA ILE A 65 -1.793 3.675 -11.493 1.00 53.33 H new ATOM 0 HB ILE A 65 -1.971 6.387 -10.122 1.00 63.21 H new ATOM 0 HG12 ILE A 65 -0.619 6.561 -12.131 1.00 2.35 H new ATOM 0 HG13 ILE A 65 0.416 6.623 -10.718 1.00 2.35 H new ATOM 0 HG21 ILE A 65 -0.217 5.489 -8.634 1.00 13.11 H new ATOM 0 HG22 ILE A 65 -1.718 4.536 -8.539 1.00 13.11 H new ATOM 0 HG23 ILE A 65 -0.328 3.918 -9.463 1.00 13.11 H new ATOM 0 HD11 ILE A 65 1.408 5.234 -12.471 1.00 71.13 H new ATOM 0 HD12 ILE A 65 1.020 4.249 -11.040 1.00 71.13 H new ATOM 0 HD13 ILE A 65 -0.031 4.187 -12.475 1.00 71.13 H new ATOM 1097 N LYS A 66 -4.523 5.071 -10.251 1.00 23.12 N ATOM 1098 CA LYS A 66 -5.695 4.823 -9.414 1.00 54.23 C ATOM 1099 C LYS A 66 -6.684 3.887 -10.107 1.00 15.14 C ATOM 1100 O LYS A 66 -7.777 3.650 -9.604 1.00 11.21 O ATOM 1101 CB LYS A 66 -6.392 6.137 -9.041 1.00 5.21 C ATOM 1102 CG LYS A 66 -7.077 6.837 -10.208 1.00 5.41 C ATOM 1103 CD LYS A 66 -7.778 8.110 -9.757 1.00 24.41 C ATOM 1104 CE LYS A 66 -8.405 8.854 -10.924 1.00 51.32 C ATOM 1105 NZ LYS A 66 -9.490 8.072 -11.579 1.00 51.43 N ATOM 0 H LYS A 66 -4.537 5.964 -10.744 1.00 23.12 H new ATOM 0 HA LYS A 66 -5.346 4.340 -8.501 1.00 54.23 H new ATOM 0 HB2 LYS A 66 -7.134 5.935 -8.268 1.00 5.21 H new ATOM 0 HB3 LYS A 66 -5.656 6.814 -8.607 1.00 5.21 H new ATOM 0 HG2 LYS A 66 -6.339 7.078 -10.974 1.00 5.41 H new ATOM 0 HG3 LYS A 66 -7.802 6.163 -10.664 1.00 5.41 H new ATOM 0 HD2 LYS A 66 -8.549 7.861 -9.028 1.00 24.41 H new ATOM 0 HD3 LYS A 66 -7.062 8.760 -9.254 1.00 24.41 H new ATOM 0 HE2 LYS A 66 -8.807 9.804 -10.572 1.00 51.32 H new ATOM 0 HE3 LYS A 66 -7.634 9.087 -11.659 1.00 51.32 H new ATOM 0 HZ1 LYS A 66 -9.254 7.923 -12.581 1.00 51.43 H new ATOM 0 HZ2 LYS A 66 -9.589 7.151 -11.106 1.00 51.43 H new ATOM 0 HZ3 LYS A 66 -10.386 8.595 -11.509 1.00 51.43 H new ATOM 1119 N ARG A 67 -6.300 3.376 -11.269 1.00 73.31 N ATOM 1120 CA ARG A 67 -7.112 2.397 -11.980 1.00 43.03 C ATOM 1121 C ARG A 67 -6.528 1.000 -11.818 1.00 14.55 C ATOM 1122 O ARG A 67 -7.258 0.034 -11.588 1.00 73.33 O ATOM 1123 CB ARG A 67 -7.220 2.766 -13.460 1.00 44.31 C ATOM 1124 CG ARG A 67 -8.247 3.852 -13.729 1.00 55.23 C ATOM 1125 CD ARG A 67 -8.118 4.424 -15.130 1.00 51.25 C ATOM 1126 NE ARG A 67 -8.098 3.389 -16.163 1.00 75.24 N ATOM 1127 CZ ARG A 67 -9.098 3.164 -17.010 1.00 71.42 C ATOM 1128 NH1 ARG A 67 -10.269 3.766 -16.841 1.00 3.22 N ATOM 1129 NH2 ARG A 67 -8.941 2.297 -18.000 1.00 53.34 N ATOM 0 H ARG A 67 -5.430 3.624 -11.740 1.00 73.31 H new ATOM 0 HA ARG A 67 -8.114 2.402 -11.550 1.00 43.03 H new ATOM 0 HB2 ARG A 67 -6.246 3.099 -13.817 1.00 44.31 H new ATOM 0 HB3 ARG A 67 -7.482 1.876 -14.032 1.00 44.31 H new ATOM 0 HG2 ARG A 67 -9.249 3.444 -13.595 1.00 55.23 H new ATOM 0 HG3 ARG A 67 -8.128 4.652 -12.999 1.00 55.23 H new ATOM 0 HD2 ARG A 67 -8.949 5.103 -15.318 1.00 51.25 H new ATOM 0 HD3 ARG A 67 -7.203 5.014 -15.194 1.00 51.25 H new ATOM 0 HE ARG A 67 -7.266 2.804 -16.238 1.00 75.24 H new ATOM 0 HH11 ARG A 67 -10.405 4.405 -16.058 1.00 3.22 H new ATOM 0 HH12 ARG A 67 -11.032 3.589 -17.494 1.00 3.22 H new ATOM 0 HH21 ARG A 67 -8.055 1.804 -18.111 1.00 53.34 H new ATOM 0 HH22 ARG A 67 -9.706 2.122 -18.651 1.00 53.34 H new ATOM 1143 N LEU A 68 -5.208 0.907 -11.924 1.00 33.55 N ATOM 1144 CA LEU A 68 -4.507 -0.358 -11.753 1.00 70.43 C ATOM 1145 C LEU A 68 -4.663 -0.844 -10.312 1.00 72.24 C ATOM 1146 O LEU A 68 -5.042 -1.992 -10.067 1.00 61.30 O ATOM 1147 CB LEU A 68 -3.022 -0.181 -12.117 1.00 44.41 C ATOM 1148 CG LEU A 68 -2.227 -1.467 -12.416 1.00 45.55 C ATOM 1149 CD1 LEU A 68 -1.964 -2.273 -11.151 1.00 20.52 C ATOM 1150 CD2 LEU A 68 -2.957 -2.320 -13.447 1.00 63.11 C ATOM 0 H LEU A 68 -4.599 1.699 -12.129 1.00 33.55 H new ATOM 0 HA LEU A 68 -4.937 -1.108 -12.417 1.00 70.43 H new ATOM 0 HB2 LEU A 68 -2.960 0.468 -12.990 1.00 44.41 H new ATOM 0 HB3 LEU A 68 -2.530 0.341 -11.296 1.00 44.41 H new ATOM 0 HG LEU A 68 -1.262 -1.168 -12.825 1.00 45.55 H new ATOM 0 HD11 LEU A 68 -1.401 -3.172 -11.403 1.00 20.52 H new ATOM 0 HD12 LEU A 68 -1.389 -1.670 -10.448 1.00 20.52 H new ATOM 0 HD13 LEU A 68 -2.913 -2.555 -10.695 1.00 20.52 H new ATOM 0 HD21 LEU A 68 -2.381 -3.224 -13.645 1.00 63.11 H new ATOM 0 HD22 LEU A 68 -3.940 -2.593 -13.063 1.00 63.11 H new ATOM 0 HD23 LEU A 68 -3.073 -1.754 -14.371 1.00 63.11 H new ATOM 1162 N THR A 69 -4.390 0.046 -9.368 1.00 42.33 N ATOM 1163 CA THR A 69 -4.507 -0.275 -7.953 1.00 54.05 C ATOM 1164 C THR A 69 -5.963 -0.535 -7.574 1.00 21.04 C ATOM 1165 O THR A 69 -6.267 -1.464 -6.831 1.00 64.10 O ATOM 1166 CB THR A 69 -3.944 0.862 -7.083 1.00 3.32 C ATOM 1167 OG1 THR A 69 -4.495 2.114 -7.511 1.00 23.10 O ATOM 1168 CG2 THR A 69 -2.425 0.917 -7.164 1.00 35.44 C ATOM 0 H THR A 69 -4.085 1.000 -9.558 1.00 42.33 H new ATOM 0 HA THR A 69 -3.926 -1.179 -7.772 1.00 54.05 H new ATOM 0 HB THR A 69 -4.223 0.669 -6.047 1.00 3.32 H new ATOM 0 HG1 THR A 69 -3.966 2.466 -8.257 1.00 23.10 H new ATOM 0 HG21 THR A 69 -2.057 1.730 -6.539 1.00 35.44 H new ATOM 0 HG22 THR A 69 -2.008 -0.027 -6.814 1.00 35.44 H new ATOM 0 HG23 THR A 69 -2.122 1.087 -8.197 1.00 35.44 H new ATOM 1176 N ARG A 70 -6.849 0.296 -8.110 1.00 34.11 N ATOM 1177 CA ARG A 70 -8.290 0.162 -7.904 1.00 2.14 C ATOM 1178 C ARG A 70 -8.754 -1.270 -8.135 1.00 64.24 C ATOM 1179 O ARG A 70 -9.397 -1.872 -7.276 1.00 53.32 O ATOM 1180 CB ARG A 70 -9.010 1.104 -8.864 1.00 52.34 C ATOM 1181 CG ARG A 70 -10.518 0.942 -8.930 1.00 51.33 C ATOM 1182 CD ARG A 70 -11.088 1.833 -10.021 1.00 44.11 C ATOM 1183 NE ARG A 70 -12.517 1.628 -10.239 1.00 32.01 N ATOM 1184 CZ ARG A 70 -13.043 1.313 -11.423 1.00 62.52 C ATOM 1185 NH1 ARG A 70 -12.251 1.067 -12.462 1.00 14.32 N ATOM 1186 NH2 ARG A 70 -14.357 1.220 -11.559 1.00 30.40 N ATOM 0 H ARG A 70 -6.590 1.085 -8.702 1.00 34.11 H new ATOM 0 HA ARG A 70 -8.524 0.421 -6.871 1.00 2.14 H new ATOM 0 HB2 ARG A 70 -8.785 2.131 -8.576 1.00 52.34 H new ATOM 0 HB3 ARG A 70 -8.602 0.957 -9.864 1.00 52.34 H new ATOM 0 HG2 ARG A 70 -10.772 -0.099 -9.129 1.00 51.33 H new ATOM 0 HG3 ARG A 70 -10.962 1.200 -7.969 1.00 51.33 H new ATOM 0 HD2 ARG A 70 -10.913 2.876 -9.759 1.00 44.11 H new ATOM 0 HD3 ARG A 70 -10.554 1.644 -10.952 1.00 44.11 H new ATOM 0 HE ARG A 70 -13.147 1.731 -9.443 1.00 32.01 H new ATOM 0 HH11 ARG A 70 -11.238 1.119 -12.355 1.00 14.32 H new ATOM 0 HH12 ARG A 70 -12.656 0.826 -13.367 1.00 14.32 H new ATOM 0 HH21 ARG A 70 -14.966 1.389 -10.758 1.00 30.40 H new ATOM 0 HH22 ARG A 70 -14.760 0.979 -12.464 1.00 30.40 H new ATOM 1200 N GLU A 71 -8.401 -1.814 -9.287 1.00 14.32 N ATOM 1201 CA GLU A 71 -8.823 -3.152 -9.662 1.00 71.41 C ATOM 1202 C GLU A 71 -8.195 -4.198 -8.744 1.00 11.15 C ATOM 1203 O GLU A 71 -8.885 -5.055 -8.195 1.00 11.03 O ATOM 1204 CB GLU A 71 -8.441 -3.420 -11.117 1.00 3.22 C ATOM 1205 CG GLU A 71 -8.916 -4.762 -11.643 1.00 72.12 C ATOM 1206 CD GLU A 71 -8.695 -4.903 -13.133 1.00 43.44 C ATOM 1207 OE1 GLU A 71 -9.576 -4.477 -13.911 1.00 55.12 O ATOM 1208 OE2 GLU A 71 -7.642 -5.428 -13.539 1.00 33.53 O ATOM 0 H GLU A 71 -7.820 -1.346 -9.982 1.00 14.32 H new ATOM 0 HA GLU A 71 -9.906 -3.221 -9.556 1.00 71.41 H new ATOM 0 HB2 GLU A 71 -8.855 -2.629 -11.742 1.00 3.22 H new ATOM 0 HB3 GLU A 71 -7.357 -3.367 -11.213 1.00 3.22 H new ATOM 0 HG2 GLU A 71 -8.389 -5.561 -11.122 1.00 72.12 H new ATOM 0 HG3 GLU A 71 -9.977 -4.882 -11.422 1.00 72.12 H new ATOM 1215 N SER A 72 -6.891 -4.092 -8.544 1.00 22.32 N ATOM 1216 CA SER A 72 -6.154 -5.097 -7.795 1.00 73.35 C ATOM 1217 C SER A 72 -6.506 -5.093 -6.305 1.00 13.22 C ATOM 1218 O SER A 72 -6.355 -6.111 -5.629 1.00 40.11 O ATOM 1219 CB SER A 72 -4.650 -4.897 -7.995 1.00 2.21 C ATOM 1220 OG SER A 72 -4.293 -3.533 -7.867 1.00 21.53 O ATOM 0 H SER A 72 -6.321 -3.320 -8.890 1.00 22.32 H new ATOM 0 HA SER A 72 -6.445 -6.073 -8.183 1.00 73.35 H new ATOM 0 HB2 SER A 72 -4.101 -5.489 -7.263 1.00 2.21 H new ATOM 0 HB3 SER A 72 -4.360 -5.260 -8.981 1.00 2.21 H new ATOM 0 HG SER A 72 -4.447 -3.073 -8.719 1.00 21.53 H new ATOM 1226 N PHE A 73 -6.978 -3.963 -5.790 1.00 75.25 N ATOM 1227 CA PHE A 73 -7.317 -3.866 -4.375 1.00 10.13 C ATOM 1228 C PHE A 73 -8.805 -4.100 -4.111 1.00 24.33 C ATOM 1229 O PHE A 73 -9.202 -4.329 -2.971 1.00 42.15 O ATOM 1230 CB PHE A 73 -6.889 -2.513 -3.799 1.00 11.44 C ATOM 1231 CG PHE A 73 -5.405 -2.392 -3.589 1.00 42.43 C ATOM 1232 CD1 PHE A 73 -4.737 -3.283 -2.764 1.00 64.13 C ATOM 1233 CD2 PHE A 73 -4.679 -1.388 -4.208 1.00 61.11 C ATOM 1234 CE1 PHE A 73 -3.376 -3.174 -2.559 1.00 72.20 C ATOM 1235 CE2 PHE A 73 -3.317 -1.273 -4.008 1.00 53.25 C ATOM 1236 CZ PHE A 73 -2.664 -2.169 -3.184 1.00 14.22 C ATOM 0 H PHE A 73 -7.134 -3.109 -6.325 1.00 75.25 H new ATOM 0 HA PHE A 73 -6.766 -4.660 -3.871 1.00 10.13 H new ATOM 0 HB2 PHE A 73 -7.218 -1.721 -4.471 1.00 11.44 H new ATOM 0 HB3 PHE A 73 -7.397 -2.355 -2.847 1.00 11.44 H new ATOM 0 HD1 PHE A 73 -5.288 -4.073 -2.275 1.00 64.13 H new ATOM 0 HD2 PHE A 73 -5.184 -0.686 -4.855 1.00 61.11 H new ATOM 0 HE1 PHE A 73 -2.869 -3.873 -1.911 1.00 72.20 H new ATOM 0 HE2 PHE A 73 -2.764 -0.484 -4.495 1.00 53.25 H new ATOM 0 HZ PHE A 73 -1.599 -2.084 -3.029 1.00 14.22 H new ATOM 1246 N ARG A 74 -9.636 -4.040 -5.148 1.00 34.33 N ATOM 1247 CA ARG A 74 -11.073 -4.227 -4.956 1.00 43.42 C ATOM 1248 C ARG A 74 -11.541 -5.596 -5.433 1.00 10.41 C ATOM 1249 O ARG A 74 -12.467 -6.171 -4.861 1.00 15.45 O ATOM 1250 CB ARG A 74 -11.871 -3.125 -5.654 1.00 72.33 C ATOM 1251 CG ARG A 74 -11.661 -1.732 -5.069 1.00 11.40 C ATOM 1252 CD ARG A 74 -12.118 -1.632 -3.614 1.00 52.32 C ATOM 1253 NE ARG A 74 -11.233 -2.354 -2.696 1.00 20.43 N ATOM 1254 CZ ARG A 74 -11.139 -2.112 -1.387 1.00 30.13 C ATOM 1255 NH1 ARG A 74 -11.893 -1.184 -0.813 1.00 54.00 N ATOM 1256 NH2 ARG A 74 -10.290 -2.817 -0.648 1.00 5.21 N ATOM 0 H ARG A 74 -9.349 -3.867 -6.111 1.00 34.33 H new ATOM 0 HA ARG A 74 -11.256 -4.167 -3.883 1.00 43.42 H new ATOM 0 HB2 ARG A 74 -11.599 -3.108 -6.709 1.00 72.33 H new ATOM 0 HB3 ARG A 74 -12.931 -3.372 -5.602 1.00 72.33 H new ATOM 0 HG2 ARG A 74 -10.605 -1.470 -5.133 1.00 11.40 H new ATOM 0 HG3 ARG A 74 -12.207 -1.004 -5.669 1.00 11.40 H new ATOM 0 HD2 ARG A 74 -12.161 -0.583 -3.322 1.00 52.32 H new ATOM 0 HD3 ARG A 74 -13.129 -2.029 -3.526 1.00 52.32 H new ATOM 0 HE ARG A 74 -10.648 -3.093 -3.085 1.00 20.43 H new ATOM 0 HH11 ARG A 74 -12.554 -0.646 -1.373 1.00 54.00 H new ATOM 0 HH12 ARG A 74 -11.812 -1.009 0.189 1.00 54.00 H new ATOM 0 HH21 ARG A 74 -9.714 -3.539 -1.081 1.00 5.21 H new ATOM 0 HH22 ARG A 74 -10.214 -2.637 0.353 1.00 5.21 H new ATOM 1270 N LEU A 75 -10.903 -6.122 -6.470 1.00 30.25 N ATOM 1271 CA LEU A 75 -11.273 -7.432 -6.999 1.00 20.11 C ATOM 1272 C LEU A 75 -10.665 -8.550 -6.158 1.00 74.14 C ATOM 1273 O LEU A 75 -11.032 -9.716 -6.295 1.00 72.22 O ATOM 1274 CB LEU A 75 -10.857 -7.574 -8.469 1.00 35.51 C ATOM 1275 CG LEU A 75 -11.825 -6.967 -9.498 1.00 31.20 C ATOM 1276 CD1 LEU A 75 -13.214 -7.569 -9.352 1.00 72.30 C ATOM 1277 CD2 LEU A 75 -11.893 -5.453 -9.370 1.00 74.33 C ATOM 0 H LEU A 75 -10.132 -5.668 -6.960 1.00 30.25 H new ATOM 0 HA LEU A 75 -12.358 -7.516 -6.947 1.00 20.11 H new ATOM 0 HB2 LEU A 75 -9.880 -7.108 -8.598 1.00 35.51 H new ATOM 0 HB3 LEU A 75 -10.736 -8.634 -8.692 1.00 35.51 H new ATOM 0 HG LEU A 75 -11.441 -7.206 -10.490 1.00 31.20 H new ATOM 0 HD11 LEU A 75 -13.882 -7.125 -10.090 1.00 72.30 H new ATOM 0 HD12 LEU A 75 -13.162 -8.646 -9.511 1.00 72.30 H new ATOM 0 HD13 LEU A 75 -13.594 -7.368 -8.350 1.00 72.30 H new ATOM 0 HD21 LEU A 75 -12.586 -5.056 -10.112 1.00 74.33 H new ATOM 0 HD22 LEU A 75 -12.239 -5.187 -8.371 1.00 74.33 H new ATOM 0 HD23 LEU A 75 -10.903 -5.029 -9.535 1.00 74.33 H new ATOM 1289 N ARG A 76 -9.736 -8.189 -5.286 1.00 30.41 N ATOM 1290 CA ARG A 76 -9.143 -9.143 -4.362 1.00 25.52 C ATOM 1291 C ARG A 76 -9.496 -8.768 -2.929 1.00 24.44 C ATOM 1292 O ARG A 76 -8.711 -8.120 -2.239 1.00 44.00 O ATOM 1293 CB ARG A 76 -7.622 -9.193 -4.524 1.00 75.23 C ATOM 1294 CG ARG A 76 -7.152 -9.718 -5.869 1.00 41.43 C ATOM 1295 CD ARG A 76 -5.632 -9.800 -5.933 1.00 40.12 C ATOM 1296 NE ARG A 76 -5.006 -8.494 -5.720 1.00 0.14 N ATOM 1297 CZ ARG A 76 -3.721 -8.318 -5.413 1.00 62.13 C ATOM 1298 NH1 ARG A 76 -2.927 -9.364 -5.230 1.00 54.42 N ATOM 1299 NH2 ARG A 76 -3.236 -7.091 -5.263 1.00 22.34 N ATOM 0 H ARG A 76 -9.376 -7.239 -5.199 1.00 30.41 H new ATOM 0 HA ARG A 76 -9.545 -10.130 -4.589 1.00 25.52 H new ATOM 0 HB2 ARG A 76 -7.220 -8.190 -4.378 1.00 75.23 H new ATOM 0 HB3 ARG A 76 -7.205 -9.821 -3.737 1.00 75.23 H new ATOM 0 HG2 ARG A 76 -7.579 -10.705 -6.045 1.00 41.43 H new ATOM 0 HG3 ARG A 76 -7.517 -9.067 -6.663 1.00 41.43 H new ATOM 0 HD2 ARG A 76 -5.274 -10.501 -5.179 1.00 40.12 H new ATOM 0 HD3 ARG A 76 -5.330 -10.193 -6.904 1.00 40.12 H new ATOM 0 HE ARG A 76 -5.592 -7.664 -5.813 1.00 0.14 H new ATOM 0 HH11 ARG A 76 -3.299 -10.309 -5.324 1.00 54.42 H new ATOM 0 HH12 ARG A 76 -1.944 -9.224 -4.995 1.00 54.42 H new ATOM 0 HH21 ARG A 76 -3.847 -6.283 -5.383 1.00 22.34 H new ATOM 0 HH22 ARG A 76 -2.253 -6.957 -5.028 1.00 22.34 H new ATOM 1313 N GLN A 77 -10.680 -9.166 -2.488 1.00 43.04 N ATOM 1314 CA GLN A 77 -11.162 -8.787 -1.165 1.00 71.23 C ATOM 1315 C GLN A 77 -10.831 -9.851 -0.118 1.00 31.32 C ATOM 1316 O GLN A 77 -11.317 -9.794 1.011 1.00 70.13 O ATOM 1317 CB GLN A 77 -12.675 -8.496 -1.188 1.00 51.22 C ATOM 1318 CG GLN A 77 -13.577 -9.701 -1.456 1.00 71.11 C ATOM 1319 CD GLN A 77 -13.429 -10.267 -2.857 1.00 15.23 C ATOM 1320 OE1 GLN A 77 -14.070 -9.803 -3.798 1.00 21.34 O ATOM 1321 NE2 GLN A 77 -12.615 -11.304 -2.997 1.00 24.04 N ATOM 0 H GLN A 77 -11.324 -9.749 -3.023 1.00 43.04 H new ATOM 0 HA GLN A 77 -10.643 -7.871 -0.882 1.00 71.23 H new ATOM 0 HB2 GLN A 77 -12.957 -8.060 -0.230 1.00 51.22 H new ATOM 0 HB3 GLN A 77 -12.870 -7.742 -1.951 1.00 51.22 H new ATOM 0 HG2 GLN A 77 -13.351 -10.483 -0.731 1.00 71.11 H new ATOM 0 HG3 GLN A 77 -14.615 -9.410 -1.298 1.00 71.11 H new ATOM 0 HE21 GLN A 77 -12.100 -11.660 -2.192 1.00 24.04 H new ATOM 0 HE22 GLN A 77 -12.504 -11.745 -3.910 1.00 24.04 H new ATOM 1330 N HIS A 78 -10.003 -10.821 -0.497 1.00 71.34 N ATOM 1331 CA HIS A 78 -9.501 -11.810 0.451 1.00 74.23 C ATOM 1332 C HIS A 78 -7.979 -11.869 0.356 1.00 32.35 C ATOM 1333 O HIS A 78 -7.327 -12.744 0.929 1.00 3.31 O ATOM 1334 CB HIS A 78 -10.113 -13.188 0.177 1.00 4.10 C ATOM 1335 CG HIS A 78 -9.937 -14.158 1.311 1.00 12.03 C ATOM 1336 ND1 HIS A 78 -9.137 -15.278 1.232 1.00 12.24 N ATOM 1337 CD2 HIS A 78 -10.468 -14.167 2.556 1.00 60.44 C ATOM 1338 CE1 HIS A 78 -9.186 -15.932 2.377 1.00 61.31 C ATOM 1339 NE2 HIS A 78 -9.985 -15.280 3.198 1.00 74.13 N ATOM 0 H HIS A 78 -9.666 -10.943 -1.452 1.00 71.34 H new ATOM 0 HA HIS A 78 -9.789 -11.515 1.460 1.00 74.23 H new ATOM 0 HB2 HIS A 78 -11.177 -13.070 -0.028 1.00 4.10 H new ATOM 0 HB3 HIS A 78 -9.660 -13.606 -0.722 1.00 4.10 H new ATOM 0 HD2 HIS A 78 -11.146 -13.434 2.968 1.00 60.44 H new ATOM 0 HE1 HIS A 78 -8.660 -16.848 2.603 1.00 61.31 H new ATOM 0 HE2 HIS A 78 -10.208 -15.557 4.154 1.00 74.13 H new ATOM 1348 N GLU A 79 -7.423 -10.917 -0.381 1.00 54.23 N ATOM 1349 CA GLU A 79 -5.985 -10.823 -0.586 1.00 55.45 C ATOM 1350 C GLU A 79 -5.331 -10.132 0.606 1.00 42.11 C ATOM 1351 O GLU A 79 -4.167 -10.372 0.926 1.00 41.24 O ATOM 1352 CB GLU A 79 -5.713 -10.047 -1.880 1.00 22.23 C ATOM 1353 CG GLU A 79 -4.246 -9.782 -2.177 1.00 72.12 C ATOM 1354 CD GLU A 79 -3.416 -11.044 -2.282 1.00 45.15 C ATOM 1355 OE1 GLU A 79 -3.799 -11.954 -3.046 1.00 10.40 O ATOM 1356 OE2 GLU A 79 -2.367 -11.115 -1.609 1.00 51.44 O ATOM 0 H GLU A 79 -7.957 -10.188 -0.854 1.00 54.23 H new ATOM 0 HA GLU A 79 -5.559 -11.822 -0.674 1.00 55.45 H new ATOM 0 HB2 GLU A 79 -6.142 -10.601 -2.715 1.00 22.23 H new ATOM 0 HB3 GLU A 79 -6.236 -9.092 -1.829 1.00 22.23 H new ATOM 0 HG2 GLU A 79 -4.167 -9.225 -3.111 1.00 72.12 H new ATOM 0 HG3 GLU A 79 -3.833 -9.148 -1.392 1.00 72.12 H new ATOM 1363 N LEU A 80 -6.099 -9.281 1.266 1.00 32.51 N ATOM 1364 CA LEU A 80 -5.614 -8.549 2.420 1.00 43.25 C ATOM 1365 C LEU A 80 -6.666 -8.565 3.520 1.00 70.12 C ATOM 1366 O LEU A 80 -7.854 -8.745 3.242 1.00 14.24 O ATOM 1367 CB LEU A 80 -5.256 -7.098 2.040 1.00 14.33 C ATOM 1368 CG LEU A 80 -6.425 -6.195 1.615 1.00 2.34 C ATOM 1369 CD1 LEU A 80 -6.014 -4.732 1.691 1.00 20.34 C ATOM 1370 CD2 LEU A 80 -6.890 -6.525 0.203 1.00 24.13 C ATOM 0 H LEU A 80 -7.068 -9.080 1.018 1.00 32.51 H new ATOM 0 HA LEU A 80 -4.709 -9.035 2.785 1.00 43.25 H new ATOM 0 HB2 LEU A 80 -4.758 -6.635 2.892 1.00 14.33 H new ATOM 0 HB3 LEU A 80 -4.533 -7.127 1.225 1.00 14.33 H new ATOM 0 HG LEU A 80 -7.253 -6.375 2.301 1.00 2.34 H new ATOM 0 HD11 LEU A 80 -6.851 -4.103 1.387 1.00 20.34 H new ATOM 0 HD12 LEU A 80 -5.728 -4.487 2.714 1.00 20.34 H new ATOM 0 HD13 LEU A 80 -5.168 -4.557 1.026 1.00 20.34 H new ATOM 0 HD21 LEU A 80 -7.718 -5.870 -0.070 1.00 24.13 H new ATOM 0 HD22 LEU A 80 -6.066 -6.378 -0.495 1.00 24.13 H new ATOM 0 HD23 LEU A 80 -7.220 -7.563 0.162 1.00 24.13 H new ATOM 1382 N PRO A 81 -6.243 -8.415 4.785 1.00 13.54 N ATOM 1383 CA PRO A 81 -7.163 -8.317 5.918 1.00 43.12 C ATOM 1384 C PRO A 81 -7.957 -7.012 5.891 1.00 71.43 C ATOM 1385 O PRO A 81 -7.764 -6.176 5.007 1.00 30.33 O ATOM 1386 CB PRO A 81 -6.241 -8.357 7.148 1.00 31.54 C ATOM 1387 CG PRO A 81 -4.914 -8.809 6.640 1.00 75.21 C ATOM 1388 CD PRO A 81 -4.841 -8.351 5.214 1.00 14.21 C ATOM 0 HA PRO A 81 -7.906 -9.115 5.910 1.00 43.12 H new ATOM 0 HB2 PRO A 81 -6.168 -7.375 7.615 1.00 31.54 H new ATOM 0 HB3 PRO A 81 -6.625 -9.042 7.904 1.00 31.54 H new ATOM 0 HG2 PRO A 81 -4.104 -8.380 7.230 1.00 75.21 H new ATOM 0 HG3 PRO A 81 -4.819 -9.893 6.707 1.00 75.21 H new ATOM 0 HD2 PRO A 81 -4.438 -7.342 5.133 1.00 14.21 H new ATOM 0 HD3 PRO A 81 -4.203 -8.998 4.612 1.00 14.21 H new ATOM 1396 N ALA A 82 -8.828 -6.828 6.875 1.00 32.02 N ATOM 1397 CA ALA A 82 -9.665 -5.635 6.951 1.00 40.32 C ATOM 1398 C ALA A 82 -8.888 -4.450 7.530 1.00 13.12 C ATOM 1399 O ALA A 82 -9.395 -3.697 8.368 1.00 45.23 O ATOM 1400 CB ALA A 82 -10.908 -5.927 7.779 1.00 20.25 C ATOM 0 H ALA A 82 -8.974 -7.492 7.635 1.00 32.02 H new ATOM 0 HA ALA A 82 -9.972 -5.362 5.941 1.00 40.32 H new ATOM 0 HB1 ALA A 82 -11.528 -5.032 7.832 1.00 20.25 H new ATOM 0 HB2 ALA A 82 -11.474 -6.734 7.314 1.00 20.25 H new ATOM 0 HB3 ALA A 82 -10.613 -6.224 8.785 1.00 20.25 H new ATOM 1406 N MET A 83 -7.665 -4.285 7.054 1.00 44.54 N ATOM 1407 CA MET A 83 -6.793 -3.217 7.508 1.00 75.41 C ATOM 1408 C MET A 83 -6.660 -2.170 6.414 1.00 41.54 C ATOM 1409 O MET A 83 -7.024 -2.421 5.263 1.00 15.11 O ATOM 1410 CB MET A 83 -5.413 -3.770 7.873 1.00 71.13 C ATOM 1411 CG MET A 83 -5.453 -4.896 8.896 1.00 24.52 C ATOM 1412 SD MET A 83 -3.817 -5.552 9.271 1.00 20.23 S ATOM 1413 CE MET A 83 -4.237 -6.903 10.367 1.00 30.34 C ATOM 0 H MET A 83 -7.250 -4.887 6.343 1.00 44.54 H new ATOM 0 HA MET A 83 -7.228 -2.760 8.397 1.00 75.41 H new ATOM 0 HB2 MET A 83 -4.926 -4.132 6.967 1.00 71.13 H new ATOM 0 HB3 MET A 83 -4.799 -2.959 8.263 1.00 71.13 H new ATOM 0 HG2 MET A 83 -5.913 -4.531 9.814 1.00 24.52 H new ATOM 0 HG3 MET A 83 -6.085 -5.700 8.520 1.00 24.52 H new ATOM 0 HE1 MET A 83 -3.326 -7.409 10.686 1.00 30.34 H new ATOM 0 HE2 MET A 83 -4.761 -6.514 11.240 1.00 30.34 H new ATOM 0 HE3 MET A 83 -4.880 -7.610 9.843 1.00 30.34 H new ATOM 1423 N ASP A 84 -6.136 -1.009 6.766 1.00 30.10 N ATOM 1424 CA ASP A 84 -6.005 0.083 5.812 1.00 72.12 C ATOM 1425 C ASP A 84 -4.537 0.326 5.507 1.00 13.44 C ATOM 1426 O ASP A 84 -3.723 0.491 6.420 1.00 73.02 O ATOM 1427 CB ASP A 84 -6.654 1.353 6.367 1.00 41.04 C ATOM 1428 CG ASP A 84 -6.922 2.391 5.293 1.00 2.45 C ATOM 1429 OD1 ASP A 84 -7.542 2.040 4.267 1.00 14.03 O ATOM 1430 OD2 ASP A 84 -6.540 3.563 5.489 1.00 53.34 O ATOM 0 H ASP A 84 -5.794 -0.796 7.703 1.00 30.10 H new ATOM 0 HA ASP A 84 -6.516 -0.188 4.888 1.00 72.12 H new ATOM 0 HB2 ASP A 84 -7.592 1.092 6.857 1.00 41.04 H new ATOM 0 HB3 ASP A 84 -6.005 1.784 7.130 1.00 41.04 H new ATOM 1435 N PHE A 85 -4.200 0.326 4.229 1.00 22.52 N ATOM 1436 CA PHE A 85 -2.816 0.460 3.808 1.00 53.55 C ATOM 1437 C PHE A 85 -2.645 1.659 2.889 1.00 11.03 C ATOM 1438 O PHE A 85 -3.481 1.919 2.020 1.00 40.21 O ATOM 1439 CB PHE A 85 -2.344 -0.811 3.092 1.00 13.42 C ATOM 1440 CG PHE A 85 -2.387 -2.047 3.947 1.00 32.15 C ATOM 1441 CD1 PHE A 85 -1.361 -2.326 4.836 1.00 2.40 C ATOM 1442 CD2 PHE A 85 -3.453 -2.930 3.863 1.00 72.00 C ATOM 1443 CE1 PHE A 85 -1.397 -3.460 5.626 1.00 42.24 C ATOM 1444 CE2 PHE A 85 -3.493 -4.067 4.650 1.00 61.05 C ATOM 1445 CZ PHE A 85 -2.464 -4.331 5.532 1.00 42.32 C ATOM 0 H PHE A 85 -4.867 0.234 3.463 1.00 22.52 H new ATOM 0 HA PHE A 85 -2.208 0.611 4.700 1.00 53.55 H new ATOM 0 HB2 PHE A 85 -2.964 -0.970 2.210 1.00 13.42 H new ATOM 0 HB3 PHE A 85 -1.323 -0.660 2.741 1.00 13.42 H new ATOM 0 HD1 PHE A 85 -0.523 -1.649 4.913 1.00 2.40 H new ATOM 0 HD2 PHE A 85 -4.261 -2.728 3.175 1.00 72.00 H new ATOM 0 HE1 PHE A 85 -0.591 -3.664 6.316 1.00 42.24 H new ATOM 0 HE2 PHE A 85 -4.328 -4.747 4.575 1.00 61.05 H new ATOM 0 HZ PHE A 85 -2.494 -5.218 6.148 1.00 42.32 H new ATOM 1455 N VAL A 86 -1.552 2.380 3.076 1.00 74.44 N ATOM 1456 CA VAL A 86 -1.249 3.530 2.251 1.00 63.11 C ATOM 1457 C VAL A 86 -0.261 3.143 1.153 1.00 65.34 C ATOM 1458 O VAL A 86 0.819 2.612 1.418 1.00 33.34 O ATOM 1459 CB VAL A 86 -0.694 4.715 3.081 1.00 12.04 C ATOM 1460 CG1 VAL A 86 -1.779 5.282 3.987 1.00 42.21 C ATOM 1461 CG2 VAL A 86 0.516 4.296 3.904 1.00 61.42 C ATOM 0 H VAL A 86 -0.858 2.185 3.797 1.00 74.44 H new ATOM 0 HA VAL A 86 -2.183 3.862 1.797 1.00 63.11 H new ATOM 0 HB VAL A 86 -0.374 5.490 2.385 1.00 12.04 H new ATOM 0 HG11 VAL A 86 -1.374 6.114 4.564 1.00 42.21 H new ATOM 0 HG12 VAL A 86 -2.613 5.634 3.380 1.00 42.21 H new ATOM 0 HG13 VAL A 86 -2.128 4.505 4.667 1.00 42.21 H new ATOM 0 HG21 VAL A 86 0.881 5.150 4.475 1.00 61.42 H new ATOM 0 HG22 VAL A 86 0.231 3.497 4.589 1.00 61.42 H new ATOM 0 HG23 VAL A 86 1.303 3.941 3.239 1.00 61.42 H new ATOM 1471 N VAL A 87 -0.652 3.388 -0.083 1.00 32.43 N ATOM 1472 CA VAL A 87 0.168 3.038 -1.227 1.00 73.02 C ATOM 1473 C VAL A 87 0.883 4.275 -1.743 1.00 24.20 C ATOM 1474 O VAL A 87 0.292 5.105 -2.429 1.00 73.22 O ATOM 1475 CB VAL A 87 -0.680 2.419 -2.356 1.00 23.15 C ATOM 1476 CG1 VAL A 87 0.203 1.957 -3.503 1.00 70.14 C ATOM 1477 CG2 VAL A 87 -1.517 1.265 -1.822 1.00 5.23 C ATOM 0 H VAL A 87 -1.539 3.831 -0.321 1.00 32.43 H new ATOM 0 HA VAL A 87 0.899 2.296 -0.906 1.00 73.02 H new ATOM 0 HB VAL A 87 -1.355 3.186 -2.737 1.00 23.15 H new ATOM 0 HG11 VAL A 87 -0.417 1.524 -4.288 1.00 70.14 H new ATOM 0 HG12 VAL A 87 0.754 2.808 -3.904 1.00 70.14 H new ATOM 0 HG13 VAL A 87 0.907 1.207 -3.141 1.00 70.14 H new ATOM 0 HG21 VAL A 87 -2.109 0.840 -2.632 1.00 5.23 H new ATOM 0 HG22 VAL A 87 -0.860 0.498 -1.412 1.00 5.23 H new ATOM 0 HG23 VAL A 87 -2.182 1.630 -1.039 1.00 5.23 H new ATOM 1487 N VAL A 88 2.149 4.403 -1.392 1.00 10.43 N ATOM 1488 CA VAL A 88 2.915 5.587 -1.735 1.00 14.01 C ATOM 1489 C VAL A 88 3.572 5.433 -3.100 1.00 53.11 C ATOM 1490 O VAL A 88 4.416 4.556 -3.303 1.00 73.54 O ATOM 1491 CB VAL A 88 3.993 5.891 -0.675 1.00 10.35 C ATOM 1492 CG1 VAL A 88 4.700 7.204 -0.977 1.00 33.12 C ATOM 1493 CG2 VAL A 88 3.375 5.926 0.716 1.00 32.43 C ATOM 0 H VAL A 88 2.670 3.700 -0.868 1.00 10.43 H new ATOM 0 HA VAL A 88 2.216 6.422 -1.767 1.00 14.01 H new ATOM 0 HB VAL A 88 4.735 5.093 -0.707 1.00 10.35 H new ATOM 0 HG11 VAL A 88 5.455 7.394 -0.214 1.00 33.12 H new ATOM 0 HG12 VAL A 88 5.179 7.143 -1.954 1.00 33.12 H new ATOM 0 HG13 VAL A 88 3.973 8.016 -0.979 1.00 33.12 H new ATOM 0 HG21 VAL A 88 4.149 6.142 1.453 1.00 32.43 H new ATOM 0 HG22 VAL A 88 2.610 6.702 0.755 1.00 32.43 H new ATOM 0 HG23 VAL A 88 2.923 4.959 0.938 1.00 32.43 H new ATOM 1503 N ALA A 89 3.167 6.279 -4.032 1.00 42.23 N ATOM 1504 CA ALA A 89 3.751 6.290 -5.360 1.00 11.11 C ATOM 1505 C ALA A 89 5.145 6.896 -5.307 1.00 4.03 C ATOM 1506 O ALA A 89 5.350 7.935 -4.680 1.00 74.43 O ATOM 1507 CB ALA A 89 2.863 7.075 -6.316 1.00 44.25 C ATOM 0 H ALA A 89 2.431 6.971 -3.891 1.00 42.23 H new ATOM 0 HA ALA A 89 3.829 5.266 -5.724 1.00 11.11 H new ATOM 0 HB1 ALA A 89 3.311 7.077 -7.310 1.00 44.25 H new ATOM 0 HB2 ALA A 89 1.878 6.610 -6.363 1.00 44.25 H new ATOM 0 HB3 ALA A 89 2.764 8.101 -5.961 1.00 44.25 H new ATOM 1513 N LYS A 90 6.100 6.245 -5.954 1.00 51.52 N ATOM 1514 CA LYS A 90 7.487 6.687 -5.914 1.00 73.24 C ATOM 1515 C LYS A 90 7.940 7.201 -7.273 1.00 3.01 C ATOM 1516 O LYS A 90 7.182 7.181 -8.247 1.00 43.14 O ATOM 1517 CB LYS A 90 8.398 5.543 -5.464 1.00 70.51 C ATOM 1518 CG LYS A 90 8.110 5.043 -4.059 1.00 2.32 C ATOM 1519 CD LYS A 90 8.410 6.104 -3.016 1.00 31.34 C ATOM 1520 CE LYS A 90 8.033 5.637 -1.620 1.00 55.32 C ATOM 1521 NZ LYS A 90 8.417 6.628 -0.582 1.00 23.22 N ATOM 0 H LYS A 90 5.940 5.408 -6.514 1.00 51.52 H new ATOM 0 HA LYS A 90 7.555 7.505 -5.196 1.00 73.24 H new ATOM 0 HB2 LYS A 90 8.295 4.713 -6.163 1.00 70.51 H new ATOM 0 HB3 LYS A 90 9.435 5.876 -5.515 1.00 70.51 H new ATOM 0 HG2 LYS A 90 7.064 4.745 -3.985 1.00 2.32 H new ATOM 0 HG3 LYS A 90 8.709 4.155 -3.858 1.00 2.32 H new ATOM 0 HD2 LYS A 90 9.471 6.352 -3.043 1.00 31.34 H new ATOM 0 HD3 LYS A 90 7.863 7.016 -3.256 1.00 31.34 H new ATOM 0 HE2 LYS A 90 6.958 5.461 -1.574 1.00 55.32 H new ATOM 0 HE3 LYS A 90 8.521 4.685 -1.411 1.00 55.32 H new ATOM 0 HZ1 LYS A 90 8.143 6.272 0.356 1.00 23.22 H new ATOM 0 HZ2 LYS A 90 9.446 6.777 -0.608 1.00 23.22 H new ATOM 0 HZ3 LYS A 90 7.931 7.529 -0.766 1.00 23.22 H new ATOM 1535 N LYS A 91 9.177 7.670 -7.328 1.00 64.23 N ATOM 1536 CA LYS A 91 9.762 8.179 -8.557 1.00 23.41 C ATOM 1537 C LYS A 91 9.929 7.060 -9.581 1.00 45.54 C ATOM 1538 O LYS A 91 10.687 6.115 -9.365 1.00 41.32 O ATOM 1539 CB LYS A 91 11.112 8.835 -8.253 1.00 65.12 C ATOM 1540 CG LYS A 91 11.859 9.335 -9.480 1.00 33.41 C ATOM 1541 CD LYS A 91 11.041 10.337 -10.277 1.00 3.34 C ATOM 1542 CE LYS A 91 11.844 10.910 -11.431 1.00 10.13 C ATOM 1543 NZ LYS A 91 11.000 11.717 -12.347 1.00 25.43 N ATOM 0 H LYS A 91 9.802 7.708 -6.523 1.00 64.23 H new ATOM 0 HA LYS A 91 9.091 8.926 -8.982 1.00 23.41 H new ATOM 0 HB2 LYS A 91 10.950 9.673 -7.575 1.00 65.12 H new ATOM 0 HB3 LYS A 91 11.741 8.116 -7.728 1.00 65.12 H new ATOM 0 HG2 LYS A 91 12.796 9.797 -9.170 1.00 33.41 H new ATOM 0 HG3 LYS A 91 12.116 8.489 -10.117 1.00 33.41 H new ATOM 0 HD2 LYS A 91 10.143 9.853 -10.661 1.00 3.34 H new ATOM 0 HD3 LYS A 91 10.713 11.145 -9.623 1.00 3.34 H new ATOM 0 HE2 LYS A 91 12.650 11.530 -11.039 1.00 10.13 H new ATOM 0 HE3 LYS A 91 12.309 10.097 -11.988 1.00 10.13 H new ATOM 0 HZ1 LYS A 91 11.586 12.090 -13.121 1.00 25.43 H new ATOM 0 HZ2 LYS A 91 10.246 11.119 -12.741 1.00 25.43 H new ATOM 0 HZ3 LYS A 91 10.576 12.508 -11.822 1.00 25.43 H new ATOM 1557 N GLY A 92 9.202 7.167 -10.682 1.00 33.01 N ATOM 1558 CA GLY A 92 9.300 6.178 -11.732 1.00 5.32 C ATOM 1559 C GLY A 92 7.950 5.610 -12.120 1.00 23.50 C ATOM 1560 O GLY A 92 7.765 5.153 -13.243 1.00 70.33 O ATOM 0 H GLY A 92 8.544 7.924 -10.867 1.00 33.01 H new ATOM 0 HA2 GLY A 92 9.767 6.628 -12.608 1.00 5.32 H new ATOM 0 HA3 GLY A 92 9.951 5.368 -11.404 1.00 5.32 H new ATOM 1564 N VAL A 93 6.994 5.655 -11.197 1.00 24.21 N ATOM 1565 CA VAL A 93 5.684 5.046 -11.425 1.00 71.01 C ATOM 1566 C VAL A 93 4.868 5.839 -12.450 1.00 51.11 C ATOM 1567 O VAL A 93 3.940 5.313 -13.068 1.00 71.34 O ATOM 1568 CB VAL A 93 4.888 4.913 -10.106 1.00 5.43 C ATOM 1569 CG1 VAL A 93 4.398 6.267 -9.620 1.00 14.31 C ATOM 1570 CG2 VAL A 93 3.733 3.935 -10.260 1.00 34.14 C ATOM 0 H VAL A 93 7.099 6.104 -10.287 1.00 24.21 H new ATOM 0 HA VAL A 93 5.863 4.048 -11.825 1.00 71.01 H new ATOM 0 HB VAL A 93 5.564 4.515 -9.349 1.00 5.43 H new ATOM 0 HG11 VAL A 93 3.842 6.141 -8.691 1.00 14.31 H new ATOM 0 HG12 VAL A 93 5.252 6.922 -9.446 1.00 14.31 H new ATOM 0 HG13 VAL A 93 3.748 6.711 -10.374 1.00 14.31 H new ATOM 0 HG21 VAL A 93 3.191 3.861 -9.317 1.00 34.14 H new ATOM 0 HG22 VAL A 93 3.059 4.288 -11.040 1.00 34.14 H new ATOM 0 HG23 VAL A 93 4.121 2.954 -10.533 1.00 34.14 H new ATOM 1580 N ALA A 94 5.227 7.102 -12.647 1.00 5.52 N ATOM 1581 CA ALA A 94 4.525 7.947 -13.603 1.00 42.21 C ATOM 1582 C ALA A 94 5.116 7.790 -15.001 1.00 41.51 C ATOM 1583 O ALA A 94 4.709 8.467 -15.943 1.00 24.22 O ATOM 1584 CB ALA A 94 4.565 9.403 -13.157 1.00 2.42 C ATOM 0 H ALA A 94 5.996 7.561 -12.160 1.00 5.52 H new ATOM 0 HA ALA A 94 3.483 7.630 -13.641 1.00 42.21 H new ATOM 0 HB1 ALA A 94 4.036 10.021 -13.883 1.00 2.42 H new ATOM 0 HB2 ALA A 94 4.087 9.498 -12.182 1.00 2.42 H new ATOM 0 HB3 ALA A 94 5.601 9.734 -13.086 1.00 2.42 H new ATOM 1590 N ASP A 95 6.089 6.896 -15.122 1.00 50.23 N ATOM 1591 CA ASP A 95 6.696 6.583 -16.408 1.00 15.05 C ATOM 1592 C ASP A 95 7.148 5.131 -16.421 1.00 52.52 C ATOM 1593 O ASP A 95 8.277 4.813 -16.053 1.00 41.31 O ATOM 1594 CB ASP A 95 7.879 7.511 -16.705 1.00 75.23 C ATOM 1595 CG ASP A 95 8.577 7.176 -18.011 1.00 74.51 C ATOM 1596 OD1 ASP A 95 7.955 7.331 -19.081 1.00 41.03 O ATOM 1597 OD2 ASP A 95 9.760 6.765 -17.976 1.00 35.22 O ATOM 0 H ASP A 95 6.477 6.371 -14.338 1.00 50.23 H new ATOM 0 HA ASP A 95 5.950 6.737 -17.187 1.00 15.05 H new ATOM 0 HB2 ASP A 95 7.526 8.542 -16.741 1.00 75.23 H new ATOM 0 HB3 ASP A 95 8.598 7.449 -15.888 1.00 75.23 H new ATOM 1602 N LEU A 96 6.241 4.248 -16.794 1.00 4.41 N ATOM 1603 CA LEU A 96 6.536 2.826 -16.841 1.00 22.22 C ATOM 1604 C LEU A 96 6.122 2.251 -18.183 1.00 1.12 C ATOM 1605 O LEU A 96 5.397 2.896 -18.944 1.00 55.40 O ATOM 1606 CB LEU A 96 5.811 2.083 -15.713 1.00 1.33 C ATOM 1607 CG LEU A 96 6.287 2.410 -14.296 1.00 43.24 C ATOM 1608 CD1 LEU A 96 5.405 1.710 -13.273 1.00 42.12 C ATOM 1609 CD2 LEU A 96 7.743 1.999 -14.114 1.00 22.45 C ATOM 0 H LEU A 96 5.290 4.491 -17.070 1.00 4.41 H new ATOM 0 HA LEU A 96 7.610 2.696 -16.709 1.00 22.22 H new ATOM 0 HB2 LEU A 96 4.746 2.306 -15.780 1.00 1.33 H new ATOM 0 HB3 LEU A 96 5.923 1.011 -15.877 1.00 1.33 H new ATOM 0 HG LEU A 96 6.213 3.487 -14.143 1.00 43.24 H new ATOM 0 HD11 LEU A 96 5.753 1.950 -12.268 1.00 42.12 H new ATOM 0 HD12 LEU A 96 4.375 2.046 -13.390 1.00 42.12 H new ATOM 0 HD13 LEU A 96 5.455 0.632 -13.427 1.00 42.12 H new ATOM 0 HD21 LEU A 96 8.065 2.239 -13.101 1.00 22.45 H new ATOM 0 HD22 LEU A 96 7.842 0.927 -14.282 1.00 22.45 H new ATOM 0 HD23 LEU A 96 8.365 2.537 -14.829 1.00 22.45 H new ATOM 1621 N ASP A 97 6.602 1.056 -18.479 1.00 1.42 N ATOM 1622 CA ASP A 97 6.207 0.352 -19.690 1.00 54.13 C ATOM 1623 C ASP A 97 4.756 -0.105 -19.563 1.00 3.24 C ATOM 1624 O ASP A 97 4.333 -0.539 -18.492 1.00 2.21 O ATOM 1625 CB ASP A 97 7.133 -0.846 -19.924 1.00 51.54 C ATOM 1626 CG ASP A 97 6.827 -1.589 -21.207 1.00 3.14 C ATOM 1627 OD1 ASP A 97 7.227 -1.109 -22.285 1.00 75.53 O ATOM 1628 OD2 ASP A 97 6.193 -2.660 -21.141 1.00 61.31 O ATOM 0 H ASP A 97 7.269 0.550 -17.896 1.00 1.42 H new ATOM 0 HA ASP A 97 6.291 1.022 -20.545 1.00 54.13 H new ATOM 0 HB2 ASP A 97 8.166 -0.500 -19.949 1.00 51.54 H new ATOM 0 HB3 ASP A 97 7.047 -1.534 -19.083 1.00 51.54 H new ATOM 1633 N ASN A 98 3.998 -0.006 -20.649 1.00 53.53 N ATOM 1634 CA ASN A 98 2.563 -0.303 -20.619 1.00 53.42 C ATOM 1635 C ASN A 98 2.313 -1.777 -20.305 1.00 12.30 C ATOM 1636 O ASN A 98 1.279 -2.142 -19.750 1.00 2.33 O ATOM 1637 CB ASN A 98 1.917 0.065 -21.960 1.00 35.24 C ATOM 1638 CG ASN A 98 0.408 -0.114 -21.959 1.00 61.04 C ATOM 1639 OD1 ASN A 98 -0.339 0.804 -21.615 1.00 4.53 O ATOM 1640 ND2 ASN A 98 -0.051 -1.292 -22.355 1.00 42.45 N ATOM 0 H ASN A 98 4.350 0.277 -21.564 1.00 53.53 H new ATOM 0 HA ASN A 98 2.111 0.296 -19.828 1.00 53.42 H new ATOM 0 HB2 ASN A 98 2.155 1.101 -22.200 1.00 35.24 H new ATOM 0 HB3 ASN A 98 2.350 -0.552 -22.748 1.00 35.24 H new ATOM 0 HD21 ASN A 98 -1.056 -1.465 -22.383 1.00 42.45 H new ATOM 0 HD22 ASN A 98 0.601 -2.026 -22.632 1.00 42.45 H new ATOM 1647 N ARG A 99 3.273 -2.614 -20.658 1.00 4.22 N ATOM 1648 CA ARG A 99 3.185 -4.047 -20.416 1.00 4.31 C ATOM 1649 C ARG A 99 3.687 -4.392 -19.012 1.00 61.33 C ATOM 1650 O ARG A 99 3.314 -5.416 -18.435 1.00 42.14 O ATOM 1651 CB ARG A 99 4.006 -4.774 -21.488 1.00 23.31 C ATOM 1652 CG ARG A 99 4.597 -6.104 -21.053 1.00 20.01 C ATOM 1653 CD ARG A 99 5.853 -6.413 -21.845 1.00 22.41 C ATOM 1654 NE ARG A 99 6.789 -5.288 -21.812 1.00 14.11 N ATOM 1655 CZ ARG A 99 8.092 -5.386 -22.039 1.00 43.33 C ATOM 1656 NH1 ARG A 99 8.657 -6.569 -22.251 1.00 30.32 N ATOM 1657 NH2 ARG A 99 8.839 -4.293 -22.035 1.00 73.11 N ATOM 0 H ARG A 99 4.134 -2.322 -21.120 1.00 4.22 H new ATOM 0 HA ARG A 99 2.145 -4.368 -20.475 1.00 4.31 H new ATOM 0 HB2 ARG A 99 3.371 -4.943 -22.358 1.00 23.31 H new ATOM 0 HB3 ARG A 99 4.817 -4.120 -21.808 1.00 23.31 H new ATOM 0 HG2 ARG A 99 4.830 -6.074 -19.989 1.00 20.01 H new ATOM 0 HG3 ARG A 99 3.865 -6.898 -21.197 1.00 20.01 H new ATOM 0 HD2 ARG A 99 6.334 -7.302 -21.437 1.00 22.41 H new ATOM 0 HD3 ARG A 99 5.588 -6.639 -22.878 1.00 22.41 H new ATOM 0 HE ARG A 99 6.413 -4.364 -21.600 1.00 14.11 H new ATOM 0 HH11 ARG A 99 8.088 -7.415 -22.240 1.00 30.32 H new ATOM 0 HH12 ARG A 99 9.660 -6.631 -22.424 1.00 30.32 H new ATOM 0 HH21 ARG A 99 8.412 -3.384 -21.858 1.00 73.11 H new ATOM 0 HH22 ARG A 99 9.842 -4.360 -22.209 1.00 73.11 H new ATOM 1671 N ALA A 100 4.496 -3.504 -18.449 1.00 54.43 N ATOM 1672 CA ALA A 100 5.170 -3.766 -17.180 1.00 61.30 C ATOM 1673 C ALA A 100 4.212 -3.742 -15.990 1.00 53.33 C ATOM 1674 O ALA A 100 4.608 -4.054 -14.863 1.00 11.52 O ATOM 1675 CB ALA A 100 6.295 -2.768 -16.965 1.00 33.10 C ATOM 0 H ALA A 100 4.703 -2.590 -18.852 1.00 54.43 H new ATOM 0 HA ALA A 100 5.581 -4.774 -17.241 1.00 61.30 H new ATOM 0 HB1 ALA A 100 6.789 -2.975 -16.015 1.00 33.10 H new ATOM 0 HB2 ALA A 100 7.018 -2.854 -17.776 1.00 33.10 H new ATOM 0 HB3 ALA A 100 5.887 -1.757 -16.949 1.00 33.10 H new ATOM 1681 N LEU A 101 2.953 -3.391 -16.232 1.00 55.35 N ATOM 1682 CA LEU A 101 1.957 -3.388 -15.166 1.00 53.12 C ATOM 1683 C LEU A 101 1.667 -4.815 -14.712 1.00 74.21 C ATOM 1684 O LEU A 101 1.262 -5.047 -13.574 1.00 32.34 O ATOM 1685 CB LEU A 101 0.668 -2.661 -15.600 1.00 10.22 C ATOM 1686 CG LEU A 101 -0.025 -3.169 -16.875 1.00 44.51 C ATOM 1687 CD1 LEU A 101 -0.866 -4.409 -16.596 1.00 30.43 C ATOM 1688 CD2 LEU A 101 -0.893 -2.068 -17.469 1.00 52.14 C ATOM 0 H LEU A 101 2.601 -3.108 -17.146 1.00 55.35 H new ATOM 0 HA LEU A 101 2.364 -2.835 -14.319 1.00 53.12 H new ATOM 0 HB2 LEU A 101 -0.047 -2.720 -14.779 1.00 10.22 H new ATOM 0 HB3 LEU A 101 0.905 -1.606 -15.741 1.00 10.22 H new ATOM 0 HG LEU A 101 0.748 -3.445 -17.592 1.00 44.51 H new ATOM 0 HD11 LEU A 101 -1.342 -4.741 -17.519 1.00 30.43 H new ATOM 0 HD12 LEU A 101 -0.227 -5.203 -16.211 1.00 30.43 H new ATOM 0 HD13 LEU A 101 -1.632 -4.171 -15.858 1.00 30.43 H new ATOM 0 HD21 LEU A 101 -1.380 -2.436 -18.372 1.00 52.14 H new ATOM 0 HD22 LEU A 101 -1.650 -1.770 -16.744 1.00 52.14 H new ATOM 0 HD23 LEU A 101 -0.271 -1.208 -17.717 1.00 52.14 H new ATOM 1700 N SER A 102 1.905 -5.769 -15.608 1.00 42.10 N ATOM 1701 CA SER A 102 1.721 -7.178 -15.295 1.00 21.24 C ATOM 1702 C SER A 102 2.828 -7.666 -14.364 1.00 3.45 C ATOM 1703 O SER A 102 2.667 -8.658 -13.651 1.00 14.33 O ATOM 1704 CB SER A 102 1.701 -8.004 -16.584 1.00 71.32 C ATOM 1705 OG SER A 102 0.761 -7.476 -17.506 1.00 3.44 O ATOM 0 H SER A 102 2.227 -5.588 -16.559 1.00 42.10 H new ATOM 0 HA SER A 102 0.765 -7.302 -14.785 1.00 21.24 H new ATOM 0 HB2 SER A 102 2.694 -8.009 -17.033 1.00 71.32 H new ATOM 0 HB3 SER A 102 1.449 -9.039 -16.354 1.00 71.32 H new ATOM 0 HG SER A 102 0.765 -8.017 -18.323 1.00 3.44 H new ATOM 1711 N GLU A 103 3.949 -6.953 -14.366 1.00 15.13 N ATOM 1712 CA GLU A 103 5.061 -7.284 -13.489 1.00 25.13 C ATOM 1713 C GLU A 103 4.799 -6.735 -12.099 1.00 40.35 C ATOM 1714 O GLU A 103 4.955 -7.434 -11.101 1.00 50.32 O ATOM 1715 CB GLU A 103 6.371 -6.717 -14.037 1.00 54.10 C ATOM 1716 CG GLU A 103 6.741 -7.260 -15.406 1.00 32.11 C ATOM 1717 CD GLU A 103 6.728 -8.772 -15.445 1.00 30.42 C ATOM 1718 OE1 GLU A 103 7.696 -9.396 -14.963 1.00 12.14 O ATOM 1719 OE2 GLU A 103 5.743 -9.343 -15.955 1.00 24.43 O ATOM 0 H GLU A 103 4.110 -6.143 -14.965 1.00 15.13 H new ATOM 0 HA GLU A 103 5.152 -8.369 -13.438 1.00 25.13 H new ATOM 0 HB2 GLU A 103 6.292 -5.631 -14.095 1.00 54.10 H new ATOM 0 HB3 GLU A 103 7.176 -6.941 -13.337 1.00 54.10 H new ATOM 0 HG2 GLU A 103 6.043 -6.873 -16.149 1.00 32.11 H new ATOM 0 HG3 GLU A 103 7.732 -6.900 -15.682 1.00 32.11 H new ATOM 1726 N ALA A 104 4.373 -5.479 -12.045 1.00 2.43 N ATOM 1727 CA ALA A 104 4.049 -4.836 -10.778 1.00 4.11 C ATOM 1728 C ALA A 104 2.919 -5.576 -10.070 1.00 31.31 C ATOM 1729 O ALA A 104 2.900 -5.680 -8.842 1.00 73.14 O ATOM 1730 CB ALA A 104 3.668 -3.380 -11.005 1.00 33.51 C ATOM 0 H ALA A 104 4.244 -4.885 -12.864 1.00 2.43 H new ATOM 0 HA ALA A 104 4.933 -4.871 -10.141 1.00 4.11 H new ATOM 0 HB1 ALA A 104 3.429 -2.913 -10.049 1.00 33.51 H new ATOM 0 HB2 ALA A 104 4.503 -2.853 -11.467 1.00 33.51 H new ATOM 0 HB3 ALA A 104 2.799 -3.329 -11.661 1.00 33.51 H new ATOM 1736 N LEU A 105 1.993 -6.108 -10.860 1.00 3.12 N ATOM 1737 CA LEU A 105 0.849 -6.831 -10.327 1.00 31.35 C ATOM 1738 C LEU A 105 1.282 -8.111 -9.614 1.00 61.42 C ATOM 1739 O LEU A 105 0.713 -8.473 -8.584 1.00 12.15 O ATOM 1740 CB LEU A 105 -0.138 -7.161 -11.450 1.00 15.03 C ATOM 1741 CG LEU A 105 -1.432 -7.844 -11.005 1.00 44.25 C ATOM 1742 CD1 LEU A 105 -2.208 -6.954 -10.043 1.00 21.53 C ATOM 1743 CD2 LEU A 105 -2.288 -8.200 -12.213 1.00 13.41 C ATOM 0 H LEU A 105 2.015 -6.050 -11.878 1.00 3.12 H new ATOM 0 HA LEU A 105 0.358 -6.189 -9.596 1.00 31.35 H new ATOM 0 HB2 LEU A 105 -0.394 -6.237 -11.969 1.00 15.03 H new ATOM 0 HB3 LEU A 105 0.363 -7.805 -12.173 1.00 15.03 H new ATOM 0 HG LEU A 105 -1.172 -8.764 -10.482 1.00 44.25 H new ATOM 0 HD11 LEU A 105 -3.125 -7.459 -9.739 1.00 21.53 H new ATOM 0 HD12 LEU A 105 -1.598 -6.750 -9.163 1.00 21.53 H new ATOM 0 HD13 LEU A 105 -2.458 -6.015 -10.537 1.00 21.53 H new ATOM 0 HD21 LEU A 105 -3.205 -8.685 -11.879 1.00 13.41 H new ATOM 0 HD22 LEU A 105 -2.537 -7.292 -12.763 1.00 13.41 H new ATOM 0 HD23 LEU A 105 -1.735 -8.878 -12.864 1.00 13.41 H new ATOM 1755 N GLU A 106 2.299 -8.789 -10.148 1.00 42.15 N ATOM 1756 CA GLU A 106 2.745 -10.048 -9.561 1.00 23.43 C ATOM 1757 C GLU A 106 3.472 -9.788 -8.244 1.00 50.15 C ATOM 1758 O GLU A 106 3.403 -10.599 -7.321 1.00 51.41 O ATOM 1759 CB GLU A 106 3.627 -10.847 -10.539 1.00 61.24 C ATOM 1760 CG GLU A 106 5.109 -10.488 -10.521 1.00 74.00 C ATOM 1761 CD GLU A 106 5.964 -11.544 -9.836 1.00 41.10 C ATOM 1762 OE1 GLU A 106 6.186 -12.611 -10.442 1.00 44.50 O ATOM 1763 OE2 GLU A 106 6.422 -11.315 -8.697 1.00 75.51 O ATOM 0 H GLU A 106 2.821 -8.492 -10.973 1.00 42.15 H new ATOM 0 HA GLU A 106 1.865 -10.657 -9.354 1.00 23.43 H new ATOM 0 HB2 GLU A 106 3.524 -11.908 -10.312 1.00 61.24 H new ATOM 0 HB3 GLU A 106 3.246 -10.699 -11.550 1.00 61.24 H new ATOM 0 HG2 GLU A 106 5.458 -10.353 -11.545 1.00 74.00 H new ATOM 0 HG3 GLU A 106 5.241 -9.534 -10.011 1.00 74.00 H new ATOM 1770 N LYS A 107 4.138 -8.640 -8.144 1.00 75.11 N ATOM 1771 CA LYS A 107 4.820 -8.278 -6.907 1.00 54.43 C ATOM 1772 C LYS A 107 3.778 -7.966 -5.845 1.00 64.23 C ATOM 1773 O LYS A 107 3.935 -8.310 -4.672 1.00 20.11 O ATOM 1774 CB LYS A 107 5.738 -7.056 -7.087 1.00 70.11 C ATOM 1775 CG LYS A 107 6.499 -6.995 -8.409 1.00 15.30 C ATOM 1776 CD LYS A 107 7.195 -8.305 -8.754 1.00 32.40 C ATOM 1777 CE LYS A 107 8.210 -8.730 -7.705 1.00 43.21 C ATOM 1778 NZ LYS A 107 8.796 -10.053 -8.042 1.00 61.43 N ATOM 0 H LYS A 107 4.219 -7.954 -8.894 1.00 75.11 H new ATOM 0 HA LYS A 107 5.444 -9.120 -6.608 1.00 54.43 H new ATOM 0 HB2 LYS A 107 5.135 -6.153 -6.993 1.00 70.11 H new ATOM 0 HB3 LYS A 107 6.460 -7.043 -6.271 1.00 70.11 H new ATOM 0 HG2 LYS A 107 5.806 -6.736 -9.210 1.00 15.30 H new ATOM 0 HG3 LYS A 107 7.241 -6.198 -8.359 1.00 15.30 H new ATOM 0 HD2 LYS A 107 6.447 -9.089 -8.867 1.00 32.40 H new ATOM 0 HD3 LYS A 107 7.696 -8.202 -9.716 1.00 32.40 H new ATOM 0 HE2 LYS A 107 9.002 -7.984 -7.635 1.00 43.21 H new ATOM 0 HE3 LYS A 107 7.731 -8.778 -6.727 1.00 43.21 H new ATOM 0 HZ1 LYS A 107 9.254 -10.455 -7.199 1.00 61.43 H new ATOM 0 HZ2 LYS A 107 8.043 -10.694 -8.366 1.00 61.43 H new ATOM 0 HZ3 LYS A 107 9.501 -9.938 -8.797 1.00 61.43 H new ATOM 1792 N LEU A 108 2.696 -7.331 -6.285 1.00 12.32 N ATOM 1793 CA LEU A 108 1.589 -6.960 -5.410 1.00 11.20 C ATOM 1794 C LEU A 108 0.705 -8.175 -5.110 1.00 20.32 C ATOM 1795 O LEU A 108 -0.332 -8.067 -4.451 1.00 23.31 O ATOM 1796 CB LEU A 108 0.766 -5.846 -6.071 1.00 72.30 C ATOM 1797 CG LEU A 108 -0.369 -5.261 -5.225 1.00 4.34 C ATOM 1798 CD1 LEU A 108 0.172 -4.658 -3.939 1.00 71.44 C ATOM 1799 CD2 LEU A 108 -1.130 -4.213 -6.021 1.00 12.22 C ATOM 0 H LEU A 108 2.562 -7.059 -7.259 1.00 12.32 H new ATOM 0 HA LEU A 108 1.991 -6.596 -4.464 1.00 11.20 H new ATOM 0 HB2 LEU A 108 1.442 -5.037 -6.347 1.00 72.30 H new ATOM 0 HB3 LEU A 108 0.340 -6.235 -6.996 1.00 72.30 H new ATOM 0 HG LEU A 108 -1.053 -6.068 -4.962 1.00 4.34 H new ATOM 0 HD11 LEU A 108 -0.652 -4.249 -3.354 1.00 71.44 H new ATOM 0 HD12 LEU A 108 0.679 -5.430 -3.360 1.00 71.44 H new ATOM 0 HD13 LEU A 108 0.877 -3.862 -4.179 1.00 71.44 H new ATOM 0 HD21 LEU A 108 -1.934 -3.804 -5.409 1.00 12.22 H new ATOM 0 HD22 LEU A 108 -0.451 -3.411 -6.310 1.00 12.22 H new ATOM 0 HD23 LEU A 108 -1.552 -4.671 -6.916 1.00 12.22 H new ATOM 1811 N TRP A 109 1.121 -9.330 -5.602 1.00 41.04 N ATOM 1812 CA TRP A 109 0.418 -10.572 -5.329 1.00 32.11 C ATOM 1813 C TRP A 109 1.314 -11.514 -4.533 1.00 24.02 C ATOM 1814 O TRP A 109 1.027 -11.838 -3.384 1.00 22.22 O ATOM 1815 CB TRP A 109 -0.017 -11.245 -6.638 1.00 41.45 C ATOM 1816 CG TRP A 109 -1.014 -12.350 -6.440 1.00 23.23 C ATOM 1817 CD1 TRP A 109 -2.370 -12.241 -6.530 1.00 71.23 C ATOM 1818 CD2 TRP A 109 -0.743 -13.723 -6.123 1.00 15.45 C ATOM 1819 NE1 TRP A 109 -2.960 -13.453 -6.278 1.00 14.12 N ATOM 1820 CE2 TRP A 109 -1.984 -14.380 -6.027 1.00 33.02 C ATOM 1821 CE3 TRP A 109 0.426 -14.461 -5.906 1.00 32.04 C ATOM 1822 CZ2 TRP A 109 -2.090 -15.734 -5.727 1.00 63.52 C ATOM 1823 CZ3 TRP A 109 0.319 -15.806 -5.610 1.00 71.21 C ATOM 1824 CH2 TRP A 109 -0.932 -16.430 -5.519 1.00 1.02 C ATOM 0 H TRP A 109 1.945 -9.433 -6.194 1.00 41.04 H new ATOM 0 HA TRP A 109 -0.472 -10.344 -4.743 1.00 32.11 H new ATOM 0 HB2 TRP A 109 -0.447 -10.492 -7.299 1.00 41.45 H new ATOM 0 HB3 TRP A 109 0.863 -11.646 -7.141 1.00 41.45 H new ATOM 0 HD1 TRP A 109 -2.903 -11.332 -6.766 1.00 71.23 H new ATOM 0 HE1 TRP A 109 -3.964 -13.635 -6.278 1.00 14.12 H new ATOM 0 HE3 TRP A 109 1.395 -13.987 -5.969 1.00 32.04 H new ATOM 0 HZ2 TRP A 109 -3.053 -16.218 -5.661 1.00 63.52 H new ATOM 0 HZ3 TRP A 109 1.215 -16.386 -5.446 1.00 71.21 H new ATOM 0 HH2 TRP A 109 -0.983 -17.482 -5.280 1.00 1.02 H new ATOM 1835 N ARG A 110 2.422 -11.913 -5.145 1.00 13.13 N ATOM 1836 CA ARG A 110 3.305 -12.927 -4.582 1.00 53.44 C ATOM 1837 C ARG A 110 3.939 -12.468 -3.268 1.00 63.43 C ATOM 1838 O ARG A 110 3.851 -13.163 -2.256 1.00 53.45 O ATOM 1839 CB ARG A 110 4.375 -13.310 -5.613 1.00 54.02 C ATOM 1840 CG ARG A 110 5.434 -14.260 -5.082 1.00 11.51 C ATOM 1841 CD ARG A 110 5.918 -15.224 -6.158 1.00 42.24 C ATOM 1842 NE ARG A 110 6.427 -14.552 -7.356 1.00 3.21 N ATOM 1843 CZ ARG A 110 7.292 -15.115 -8.206 1.00 64.24 C ATOM 1844 NH1 ARG A 110 7.829 -16.299 -7.926 1.00 10.12 N ATOM 1845 NH2 ARG A 110 7.630 -14.490 -9.328 1.00 63.30 N ATOM 0 H ARG A 110 2.733 -11.544 -6.043 1.00 13.13 H new ATOM 0 HA ARG A 110 2.708 -13.808 -4.347 1.00 53.44 H new ATOM 0 HB2 ARG A 110 3.888 -13.770 -6.473 1.00 54.02 H new ATOM 0 HB3 ARG A 110 4.862 -12.403 -5.970 1.00 54.02 H new ATOM 0 HG2 ARG A 110 6.279 -13.686 -4.701 1.00 11.51 H new ATOM 0 HG3 ARG A 110 5.028 -14.825 -4.243 1.00 11.51 H new ATOM 0 HD2 ARG A 110 6.704 -15.855 -5.743 1.00 42.24 H new ATOM 0 HD3 ARG A 110 5.097 -15.883 -6.441 1.00 42.24 H new ATOM 0 HE ARG A 110 6.104 -13.604 -7.552 1.00 3.21 H new ATOM 0 HH11 ARG A 110 7.581 -16.780 -7.061 1.00 10.12 H new ATOM 0 HH12 ARG A 110 8.489 -16.726 -8.576 1.00 10.12 H new ATOM 0 HH21 ARG A 110 7.229 -13.577 -9.544 1.00 63.30 H new ATOM 0 HH22 ARG A 110 8.290 -14.923 -9.974 1.00 63.30 H new ATOM 1859 N ARG A 111 4.551 -11.290 -3.271 1.00 10.32 N ATOM 1860 CA ARG A 111 5.191 -10.768 -2.066 1.00 10.14 C ATOM 1861 C ARG A 111 4.139 -10.324 -1.056 1.00 11.24 C ATOM 1862 O ARG A 111 4.399 -10.266 0.148 1.00 25.04 O ATOM 1863 CB ARG A 111 6.116 -9.597 -2.417 1.00 23.24 C ATOM 1864 CG ARG A 111 6.872 -9.006 -1.229 1.00 30.20 C ATOM 1865 CD ARG A 111 7.836 -10.003 -0.594 1.00 23.23 C ATOM 1866 NE ARG A 111 7.199 -10.848 0.425 1.00 41.32 N ATOM 1867 CZ ARG A 111 7.815 -11.870 1.031 1.00 72.34 C ATOM 1868 NH1 ARG A 111 9.047 -12.209 0.669 1.00 21.32 N ATOM 1869 NH2 ARG A 111 7.201 -12.549 1.998 1.00 11.35 N ATOM 0 H ARG A 111 4.619 -10.681 -4.086 1.00 10.32 H new ATOM 0 HA ARG A 111 5.789 -11.563 -1.620 1.00 10.14 H new ATOM 0 HB2 ARG A 111 6.839 -9.932 -3.160 1.00 23.24 H new ATOM 0 HB3 ARG A 111 5.523 -8.809 -2.882 1.00 23.24 H new ATOM 0 HG2 ARG A 111 7.427 -8.127 -1.557 1.00 30.20 H new ATOM 0 HG3 ARG A 111 6.157 -8.669 -0.479 1.00 30.20 H new ATOM 0 HD2 ARG A 111 8.258 -10.638 -1.373 1.00 23.23 H new ATOM 0 HD3 ARG A 111 8.665 -9.460 -0.141 1.00 23.23 H new ATOM 0 HE ARG A 111 6.234 -10.645 0.685 1.00 41.32 H new ATOM 0 HH11 ARG A 111 9.522 -11.691 -0.070 1.00 21.32 H new ATOM 0 HH12 ARG A 111 9.518 -12.988 1.130 1.00 21.32 H new ATOM 0 HH21 ARG A 111 6.256 -12.291 2.281 1.00 11.35 H new ATOM 0 HH22 ARG A 111 7.676 -13.327 2.456 1.00 11.35 H new ATOM 1883 N HIS A 112 2.946 -10.029 -1.554 1.00 51.02 N ATOM 1884 CA HIS A 112 1.860 -9.551 -0.709 1.00 3.15 C ATOM 1885 C HIS A 112 1.222 -10.706 0.058 1.00 35.30 C ATOM 1886 O HIS A 112 1.031 -10.623 1.269 1.00 74.11 O ATOM 1887 CB HIS A 112 0.803 -8.839 -1.558 1.00 13.11 C ATOM 1888 CG HIS A 112 -0.308 -8.241 -0.752 1.00 24.53 C ATOM 1889 ND1 HIS A 112 -1.507 -8.884 -0.521 1.00 61.30 N ATOM 1890 CD2 HIS A 112 -0.395 -7.049 -0.114 1.00 42.31 C ATOM 1891 CE1 HIS A 112 -2.278 -8.114 0.223 1.00 13.31 C ATOM 1892 NE2 HIS A 112 -1.629 -6.997 0.484 1.00 44.54 N ATOM 0 H HIS A 112 2.705 -10.113 -2.542 1.00 51.02 H new ATOM 0 HA HIS A 112 2.273 -8.845 0.011 1.00 3.15 H new ATOM 0 HB2 HIS A 112 1.285 -8.052 -2.138 1.00 13.11 H new ATOM 0 HB3 HIS A 112 0.383 -9.549 -2.271 1.00 13.11 H new ATOM 0 HD1 HIS A 112 -1.758 -9.809 -0.870 1.00 61.30 H new ATOM 0 HD2 HIS A 112 0.365 -6.283 -0.082 1.00 42.31 H new ATOM 0 HE1 HIS A 112 -3.274 -8.358 0.561 1.00 13.31 H new ATOM 1901 N CYS A 113 0.902 -11.777 -0.655 1.00 3.14 N ATOM 1902 CA CYS A 113 0.281 -12.948 -0.049 1.00 74.01 C ATOM 1903 C CYS A 113 1.213 -13.561 0.994 1.00 70.31 C ATOM 1904 O CYS A 113 0.778 -13.995 2.062 1.00 3.32 O ATOM 1905 CB CYS A 113 -0.061 -13.977 -1.129 1.00 41.24 C ATOM 1906 SG CYS A 113 -1.084 -15.352 -0.552 1.00 25.33 S ATOM 0 H CYS A 113 1.063 -11.860 -1.659 1.00 3.14 H new ATOM 0 HA CYS A 113 -0.640 -12.642 0.448 1.00 74.01 H new ATOM 0 HB2 CYS A 113 -0.579 -13.472 -1.944 1.00 41.24 H new ATOM 0 HB3 CYS A 113 0.866 -14.377 -1.540 1.00 41.24 H new ATOM 0 HG CYS A 113 -1.318 -16.163 -1.540 1.00 25.33 H new ATOM 1912 N ARG A 114 2.507 -13.554 0.694 1.00 14.44 N ATOM 1913 CA ARG A 114 3.505 -14.104 1.603 1.00 20.35 C ATOM 1914 C ARG A 114 3.922 -13.073 2.649 1.00 2.13 C ATOM 1915 O ARG A 114 4.849 -13.303 3.420 1.00 40.12 O ATOM 1916 CB ARG A 114 4.727 -14.589 0.821 1.00 1.03 C ATOM 1917 CG ARG A 114 4.427 -15.735 -0.130 1.00 43.24 C ATOM 1918 CD ARG A 114 3.967 -16.979 0.615 1.00 33.41 C ATOM 1919 NE ARG A 114 3.607 -18.059 -0.301 1.00 55.41 N ATOM 1920 CZ ARG A 114 3.809 -19.351 -0.055 1.00 55.44 C ATOM 1921 NH1 ARG A 114 4.318 -19.744 1.108 1.00 73.33 N ATOM 1922 NH2 ARG A 114 3.473 -20.258 -0.962 1.00 25.52 N ATOM 0 H ARG A 114 2.889 -13.173 -0.172 1.00 14.44 H new ATOM 0 HA ARG A 114 3.058 -14.952 2.122 1.00 20.35 H new ATOM 0 HB2 ARG A 114 5.138 -13.755 0.253 1.00 1.03 H new ATOM 0 HB3 ARG A 114 5.496 -14.905 1.525 1.00 1.03 H new ATOM 0 HG2 ARG A 114 3.656 -15.429 -0.837 1.00 43.24 H new ATOM 0 HG3 ARG A 114 5.319 -15.968 -0.712 1.00 43.24 H new ATOM 0 HD2 ARG A 114 4.760 -17.317 1.282 1.00 33.41 H new ATOM 0 HD3 ARG A 114 3.109 -16.732 1.240 1.00 33.41 H new ATOM 0 HE ARG A 114 3.172 -17.806 -1.188 1.00 55.41 H new ATOM 0 HH11 ARG A 114 4.557 -19.053 1.820 1.00 73.33 H new ATOM 0 HH12 ARG A 114 4.470 -20.736 1.289 1.00 73.33 H new ATOM 0 HH21 ARG A 114 3.060 -19.965 -1.847 1.00 25.52 H new ATOM 0 HH22 ARG A 114 3.628 -21.249 -0.774 1.00 25.52 H new ATOM 1936 N LEU A 115 3.246 -11.933 2.663 1.00 60.10 N ATOM 1937 CA LEU A 115 3.503 -10.906 3.666 1.00 34.14 C ATOM 1938 C LEU A 115 2.529 -11.056 4.829 1.00 25.50 C ATOM 1939 O LEU A 115 2.867 -10.780 5.980 1.00 75.11 O ATOM 1940 CB LEU A 115 3.367 -9.508 3.057 1.00 62.34 C ATOM 1941 CG LEU A 115 3.689 -8.350 4.005 1.00 24.12 C ATOM 1942 CD1 LEU A 115 5.166 -8.345 4.366 1.00 44.12 C ATOM 1943 CD2 LEU A 115 3.280 -7.023 3.384 1.00 3.43 C ATOM 0 H LEU A 115 2.516 -11.695 1.992 1.00 60.10 H new ATOM 0 HA LEU A 115 4.523 -11.031 4.030 1.00 34.14 H new ATOM 0 HB2 LEU A 115 4.025 -9.441 2.191 1.00 62.34 H new ATOM 0 HB3 LEU A 115 2.347 -9.385 2.693 1.00 62.34 H new ATOM 0 HG LEU A 115 3.117 -8.488 4.923 1.00 24.12 H new ATOM 0 HD11 LEU A 115 5.373 -7.514 5.040 1.00 44.12 H new ATOM 0 HD12 LEU A 115 5.424 -9.284 4.857 1.00 44.12 H new ATOM 0 HD13 LEU A 115 5.762 -8.234 3.460 1.00 44.12 H new ATOM 0 HD21 LEU A 115 3.516 -6.211 4.072 1.00 3.43 H new ATOM 0 HD22 LEU A 115 3.822 -6.876 2.450 1.00 3.43 H new ATOM 0 HD23 LEU A 115 2.208 -7.029 3.185 1.00 3.43 H new ATOM 1955 N ALA A 116 1.319 -11.501 4.513 1.00 40.11 N ATOM 1956 CA ALA A 116 0.286 -11.687 5.519 1.00 0.21 C ATOM 1957 C ALA A 116 0.579 -12.918 6.365 1.00 72.50 C ATOM 1958 O ALA A 116 0.170 -13.006 7.523 1.00 74.12 O ATOM 1959 CB ALA A 116 -1.078 -11.804 4.860 1.00 25.23 C ATOM 0 H ALA A 116 1.030 -11.740 3.564 1.00 40.11 H new ATOM 0 HA ALA A 116 0.280 -10.816 6.174 1.00 0.21 H new ATOM 0 HB1 ALA A 116 -1.841 -11.943 5.626 1.00 25.23 H new ATOM 0 HB2 ALA A 116 -1.290 -10.895 4.297 1.00 25.23 H new ATOM 0 HB3 ALA A 116 -1.083 -12.659 4.183 1.00 25.23 H new ATOM 1965 N ARG A 117 1.295 -13.866 5.779 1.00 53.24 N ATOM 1966 CA ARG A 117 1.679 -15.073 6.486 1.00 70.24 C ATOM 1967 C ARG A 117 2.932 -14.808 7.308 1.00 60.50 C ATOM 1968 O ARG A 117 4.046 -14.873 6.795 1.00 41.00 O ATOM 1969 CB ARG A 117 1.918 -16.222 5.503 1.00 50.32 C ATOM 1970 CG ARG A 117 0.734 -16.502 4.591 1.00 52.12 C ATOM 1971 CD ARG A 117 -0.521 -16.839 5.380 1.00 53.33 C ATOM 1972 NE ARG A 117 -0.411 -18.120 6.075 1.00 22.04 N ATOM 1973 CZ ARG A 117 -1.379 -18.640 6.830 1.00 0.51 C ATOM 1974 NH1 ARG A 117 -2.499 -17.963 7.045 1.00 15.12 N ATOM 1975 NH2 ARG A 117 -1.227 -19.838 7.375 1.00 11.12 N ATOM 0 H ARG A 117 1.621 -13.820 4.814 1.00 53.24 H new ATOM 0 HA ARG A 117 0.868 -15.363 7.154 1.00 70.24 H new ATOM 0 HB2 ARG A 117 2.790 -15.990 4.891 1.00 50.32 H new ATOM 0 HB3 ARG A 117 2.154 -17.126 6.065 1.00 50.32 H new ATOM 0 HG2 ARG A 117 0.545 -15.631 3.963 1.00 52.12 H new ATOM 0 HG3 ARG A 117 0.977 -17.329 3.924 1.00 52.12 H new ATOM 0 HD2 ARG A 117 -0.714 -16.049 6.106 1.00 53.33 H new ATOM 0 HD3 ARG A 117 -1.376 -16.867 4.704 1.00 53.33 H new ATOM 0 HE ARG A 117 0.457 -18.647 5.977 1.00 22.04 H new ATOM 0 HH11 ARG A 117 -2.624 -17.039 6.632 1.00 15.12 H new ATOM 0 HH12 ARG A 117 -3.236 -18.367 7.624 1.00 15.12 H new ATOM 0 HH21 ARG A 117 -0.368 -20.365 7.217 1.00 11.12 H new ATOM 0 HH22 ARG A 117 -1.969 -20.234 7.952 1.00 11.12 H new