USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 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 52 GLN :FLIP amide:sc= -0.24 F(o=-0.94,f=-0.24) USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 70 GLN : amide:sc= 1.03 K(o=1.9,f=-3.4) USER MOD Set 2.2: A 94 GLN : amide:sc= 0.898 K(o=1.9,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.41) USER MOD Single : A 23 ASN : amide:sc=-0.00992 K(o=-0.0099,f=-1.5!) USER MOD Single : A 24 HIS : no HD1:sc= 0.766 K(o=0.77,f=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00367) USER MOD Single : A 31 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 32 GLN : amide:sc= -4.47! C(o=-4.5!,f=-6.9!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.99) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.347 F(o=-1.2,f=0.35) USER MOD Single : A 39 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.79) USER MOD Single : A 44 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 46 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.65) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.215) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.05) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -1.23 (180deg=-2.99!) USER MOD Single : A 63 CYS SG : rot -0:sc= -2.55! USER MOD Single : A 65 MET CE :methyl 130:sc= -0.331 (180deg=-1.12) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.09) USER MOD Single : A 89 ASN :FLIP amide:sc=-0.00287 F(o=-1.3,f=-0.0029) USER MOD Single : A 90 TYR OH : rot -168:sc= 0.0416 USER MOD Single : A 95 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 97 SER OG : rot 120:sc= -0.39 USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.226) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -162:sc= -0.0707 (180deg=-0.401) USER MOD Single : A 107 THR OG1 : rot 52:sc= 0.323 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 110 LYS NZ :NH3+ 166:sc= 1.26 (180deg=0.916) USER MOD Single : A 112 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0627) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 0.688 16.330 1.563 1.00 0.00 N ATOM 298 CA LEU A 18 -0.355 15.870 0.626 1.00 0.00 C ATOM 299 C LEU A 18 0.236 14.981 -0.486 1.00 0.00 C ATOM 300 O LEU A 18 0.204 13.741 -0.408 1.00 0.00 O ATOM 301 CB LEU A 18 -1.093 17.066 0.011 1.00 0.00 C ATOM 302 CG LEU A 18 -1.802 17.999 0.997 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.496 19.127 0.252 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.802 17.226 1.850 1.00 0.00 C ATOM 0 HA LEU A 18 -1.065 15.270 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.376 17.654 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.832 16.687 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.052 18.430 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.995 19.782 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.758 19.699 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.233 18.710 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.294 17.909 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.549 16.763 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.279 16.453 2.413 1.00 0.00 H new ATOM 316 N ILE A 19 0.787 15.615 -1.509 1.00 0.00 N ATOM 317 CA ILE A 19 1.408 14.885 -2.607 1.00 0.00 C ATOM 318 C ILE A 19 2.654 14.153 -2.107 1.00 0.00 C ATOM 319 O ILE A 19 3.046 13.122 -2.650 1.00 0.00 O ATOM 320 CB ILE A 19 1.746 15.836 -3.795 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.450 16.307 -4.455 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.638 15.156 -4.829 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.352 15.182 -5.083 1.00 0.00 C ATOM 0 H ILE A 19 0.818 16.630 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 19 0.699 14.145 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 19 2.294 16.690 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.166 16.810 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.689 17.044 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.850 15.852 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.573 14.851 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.129 14.278 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.258 15.588 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.247 14.693 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.621 14.455 -4.316 1.00 0.00 H new ATOM 335 N GLU A 20 3.241 14.681 -1.038 1.00 0.00 N ATOM 336 CA GLU A 20 4.400 14.065 -0.415 1.00 0.00 C ATOM 337 C GLU A 20 4.100 12.645 0.005 1.00 0.00 C ATOM 338 O GLU A 20 4.821 11.721 -0.362 1.00 0.00 O ATOM 339 CB GLU A 20 4.842 14.863 0.795 1.00 0.00 C ATOM 340 CG GLU A 20 5.701 16.050 0.460 1.00 0.00 C ATOM 341 CD GLU A 20 6.973 15.634 -0.231 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.865 15.083 0.451 1.00 0.00 O ATOM 343 OE2 GLU A 20 7.078 15.837 -1.445 1.00 0.00 O ATOM 0 H GLU A 20 2.928 15.540 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 20 5.202 14.053 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.959 15.206 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.392 14.207 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.144 16.734 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.943 16.594 1.373 1.00 0.00 H new ATOM 350 N GLN A 21 3.032 12.463 0.774 1.00 0.00 N ATOM 351 CA GLN A 21 2.669 11.141 1.222 1.00 0.00 C ATOM 352 C GLN A 21 2.352 10.248 0.058 1.00 0.00 C ATOM 353 O GLN A 21 2.799 9.118 0.005 1.00 0.00 O ATOM 354 CB GLN A 21 1.506 11.159 2.215 1.00 0.00 C ATOM 355 CG GLN A 21 1.910 11.495 3.647 1.00 0.00 C ATOM 356 CD GLN A 21 2.947 10.529 4.208 1.00 0.00 C ATOM 357 OE1 GLN A 21 2.607 9.493 4.773 1.00 0.00 O ATOM 358 NE2 GLN A 21 4.217 10.873 4.071 1.00 0.00 N ATOM 0 H GLN A 21 2.415 13.210 1.092 1.00 0.00 H new ATOM 0 HA GLN A 21 3.535 10.740 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.767 11.886 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.020 10.183 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.309 12.509 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.025 11.481 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.462 11.742 3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.952 10.270 4.441 1.00 0.00 H new ATOM 367 N ALA A 22 1.583 10.784 -0.897 1.00 0.00 N ATOM 368 CA ALA A 22 1.195 10.025 -2.079 1.00 0.00 C ATOM 369 C ALA A 22 2.410 9.473 -2.837 1.00 0.00 C ATOM 370 O ALA A 22 2.500 8.272 -3.090 1.00 0.00 O ATOM 371 CB ALA A 22 0.347 10.884 -3.004 1.00 0.00 C ATOM 0 H ALA A 22 1.221 11.737 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 22 0.608 9.173 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.065 10.304 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.552 11.207 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.919 11.758 -3.315 1.00 0.00 H new ATOM 377 N ASN A 23 3.354 10.358 -3.164 1.00 0.00 N ATOM 378 CA ASN A 23 4.567 9.971 -3.895 1.00 0.00 C ATOM 379 C ASN A 23 5.470 9.067 -3.076 1.00 0.00 C ATOM 380 O ASN A 23 6.035 8.107 -3.593 1.00 0.00 O ATOM 381 CB ASN A 23 5.351 11.208 -4.357 1.00 0.00 C ATOM 382 CG ASN A 23 4.659 11.974 -5.475 1.00 0.00 C ATOM 383 OD1 ASN A 23 3.435 11.986 -5.578 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.443 12.617 -6.321 1.00 0.00 N ATOM 0 H ASN A 23 3.303 11.351 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 23 4.236 9.410 -4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.500 11.874 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.340 10.898 -4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.036 13.147 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.456 12.584 -6.204 1.00 0.00 H new ATOM 391 N HIS A 24 5.615 9.363 -1.801 1.00 0.00 N ATOM 392 CA HIS A 24 6.478 8.552 -0.970 1.00 0.00 C ATOM 393 C HIS A 24 5.877 7.168 -0.742 1.00 0.00 C ATOM 394 O HIS A 24 6.590 6.163 -0.758 1.00 0.00 O ATOM 395 CB HIS A 24 6.806 9.236 0.345 1.00 0.00 C ATOM 396 CG HIS A 24 7.592 10.503 0.161 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.481 10.713 -0.875 1.00 0.00 N ATOM 398 CD2 HIS A 24 7.585 11.633 0.870 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.982 11.930 -0.781 1.00 0.00 C ATOM 400 NE2 HIS A 24 8.453 12.514 0.274 1.00 0.00 N ATOM 0 H HIS A 24 5.158 10.141 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 24 7.419 8.425 -1.506 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.880 9.462 0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 24 7.373 8.550 0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.999 11.822 1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.702 12.371 -1.454 1.00 0.00 H new ATOM 0 HE2 HIS A 24 8.654 13.461 0.594 1.00 0.00 H new ATOM 409 N ALA A 25 4.563 7.124 -0.532 1.00 0.00 N ATOM 410 CA ALA A 25 3.847 5.868 -0.340 1.00 0.00 C ATOM 411 C ALA A 25 3.936 4.964 -1.560 1.00 0.00 C ATOM 412 O ALA A 25 4.112 3.760 -1.419 1.00 0.00 O ATOM 413 CB ALA A 25 2.391 6.127 0.005 1.00 0.00 C ATOM 0 H ALA A 25 3.970 7.953 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 25 4.329 5.353 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.875 5.177 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.333 6.709 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.918 6.681 -0.806 1.00 0.00 H new ATOM 419 N ILE A 26 3.806 5.533 -2.758 1.00 0.00 N ATOM 420 CA ILE A 26 3.871 4.723 -3.973 1.00 0.00 C ATOM 421 C ILE A 26 5.277 4.176 -4.200 1.00 0.00 C ATOM 422 O ILE A 26 5.437 3.051 -4.669 1.00 0.00 O ATOM 423 CB ILE A 26 3.367 5.470 -5.241 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.167 6.748 -5.482 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.878 5.778 -5.117 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.766 7.502 -6.733 1.00 0.00 C ATOM 0 H ILE A 26 3.658 6.530 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 26 3.188 3.889 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 26 3.516 4.819 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.049 7.406 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.225 6.495 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.539 6.301 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.322 4.847 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.708 6.407 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.381 8.396 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.911 6.864 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.717 7.789 -6.664 1.00 0.00 H new ATOM 438 N GLU A 27 6.295 4.966 -3.854 1.00 0.00 N ATOM 439 CA GLU A 27 7.678 4.503 -3.961 1.00 0.00 C ATOM 440 C GLU A 27 7.924 3.339 -3.002 1.00 0.00 C ATOM 441 O GLU A 27 8.477 2.301 -3.390 1.00 0.00 O ATOM 442 CB GLU A 27 8.670 5.631 -3.658 1.00 0.00 C ATOM 443 CG GLU A 27 9.350 6.211 -4.889 1.00 0.00 C ATOM 444 CD GLU A 27 8.391 6.907 -5.831 1.00 0.00 C ATOM 445 OE1 GLU A 27 7.687 6.214 -6.592 1.00 0.00 O ATOM 446 OE2 GLU A 27 8.370 8.159 -5.840 1.00 0.00 O ATOM 0 H GLU A 27 6.190 5.917 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 27 7.835 4.171 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.145 6.431 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.434 5.255 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.116 6.919 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.859 5.410 -5.426 1.00 0.00 H new ATOM 453 N LYS A 28 7.496 3.506 -1.757 1.00 0.00 N ATOM 454 CA LYS A 28 7.650 2.469 -0.750 1.00 0.00 C ATOM 455 C LYS A 28 6.813 1.255 -1.140 1.00 0.00 C ATOM 456 O LYS A 28 7.283 0.113 -1.078 1.00 0.00 O ATOM 457 CB LYS A 28 7.231 3.017 0.637 1.00 0.00 C ATOM 458 CG LYS A 28 7.492 2.081 1.830 1.00 0.00 C ATOM 459 CD LYS A 28 6.391 1.035 1.998 1.00 0.00 C ATOM 460 CE LYS A 28 6.553 0.240 3.293 1.00 0.00 C ATOM 461 NZ LYS A 28 7.806 -0.557 3.316 1.00 0.00 N ATOM 0 H LYS A 28 7.038 4.354 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 28 8.694 2.163 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.759 3.954 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.167 3.251 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.449 1.579 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.571 2.672 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.419 1.528 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.406 0.352 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.546 0.926 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.699 -0.427 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.861 -1.091 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.811 -1.219 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.624 0.081 3.243 1.00 0.00 H new ATOM 475 N GLY A 29 5.578 1.516 -1.557 1.00 0.00 N ATOM 476 CA GLY A 29 4.674 0.470 -1.974 1.00 0.00 C ATOM 477 C GLY A 29 5.213 -0.347 -3.122 1.00 0.00 C ATOM 478 O GLY A 29 5.137 -1.566 -3.104 1.00 0.00 O ATOM 0 H GLY A 29 5.185 2.456 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.473 -0.188 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.722 0.914 -2.266 1.00 0.00 H new ATOM 482 N GLU A 30 5.763 0.336 -4.119 1.00 0.00 N ATOM 483 CA GLU A 30 6.315 -0.320 -5.297 1.00 0.00 C ATOM 484 C GLU A 30 7.462 -1.242 -4.917 1.00 0.00 C ATOM 485 O GLU A 30 7.507 -2.403 -5.324 1.00 0.00 O ATOM 486 CB GLU A 30 6.800 0.703 -6.325 1.00 0.00 C ATOM 487 CG GLU A 30 7.401 0.062 -7.568 1.00 0.00 C ATOM 488 CD GLU A 30 8.010 1.065 -8.514 1.00 0.00 C ATOM 489 OE1 GLU A 30 9.186 1.441 -8.310 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.328 1.463 -9.480 1.00 0.00 O ATOM 0 H GLU A 30 5.838 1.353 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 30 5.515 -0.912 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.964 1.338 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.544 1.350 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.165 -0.655 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.626 -0.499 -8.091 1.00 0.00 H new ATOM 497 N HIS A 31 8.373 -0.720 -4.106 1.00 0.00 N ATOM 498 CA HIS A 31 9.559 -1.454 -3.707 1.00 0.00 C ATOM 499 C HIS A 31 9.178 -2.686 -2.888 1.00 0.00 C ATOM 500 O HIS A 31 9.700 -3.774 -3.114 1.00 0.00 O ATOM 501 CB HIS A 31 10.497 -0.541 -2.906 1.00 0.00 C ATOM 502 CG HIS A 31 11.908 -1.044 -2.802 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.984 -0.388 -3.364 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.419 -2.136 -2.191 1.00 0.00 C ATOM 505 CE1 HIS A 31 14.090 -1.054 -3.101 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.775 -2.118 -2.390 1.00 0.00 N ATOM 0 H HIS A 31 8.309 0.218 -3.710 1.00 0.00 H new ATOM 0 HA HIS A 31 10.080 -1.791 -4.603 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.508 0.445 -3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.093 -0.416 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.862 -2.884 -1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.085 -0.775 -3.415 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.434 -2.815 -2.044 1.00 0.00 H new ATOM 515 N GLN A 32 8.265 -2.503 -1.945 1.00 0.00 N ATOM 516 CA GLN A 32 7.817 -3.602 -1.096 1.00 0.00 C ATOM 517 C GLN A 32 6.952 -4.590 -1.900 1.00 0.00 C ATOM 518 O GLN A 32 6.967 -5.788 -1.630 1.00 0.00 O ATOM 519 CB GLN A 32 7.063 -3.053 0.138 1.00 0.00 C ATOM 520 CG GLN A 32 5.649 -2.560 -0.134 1.00 0.00 C ATOM 521 CD GLN A 32 4.624 -3.671 -0.041 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.769 -4.594 0.753 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.600 -3.602 -0.867 1.00 0.00 N ATOM 0 H GLN A 32 7.820 -1.607 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 32 8.688 -4.149 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.018 -3.836 0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.642 -2.232 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.397 -1.776 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.607 -2.113 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.517 -2.816 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.890 -4.334 -0.861 1.00 0.00 H new ATOM 532 N LEU A 33 6.216 -4.089 -2.894 1.00 0.00 N ATOM 533 CA LEU A 33 5.391 -4.948 -3.736 1.00 0.00 C ATOM 534 C LEU A 33 6.284 -5.854 -4.563 1.00 0.00 C ATOM 535 O LEU A 33 6.069 -7.060 -4.622 1.00 0.00 O ATOM 536 CB LEU A 33 4.450 -4.098 -4.628 1.00 0.00 C ATOM 537 CG LEU A 33 3.498 -4.860 -5.591 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.188 -5.147 -6.918 1.00 0.00 C ATOM 539 CD2 LEU A 33 3.004 -6.162 -4.962 1.00 0.00 C ATOM 0 H LEU A 33 6.176 -3.098 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 33 4.757 -5.573 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.840 -3.474 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.067 -3.427 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 33 2.635 -4.221 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.503 -5.681 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.482 -4.207 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.073 -5.758 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.340 -6.674 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.856 -6.803 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.463 -5.939 -4.042 1.00 0.00 H new ATOM 551 N LEU A 34 7.315 -5.277 -5.164 1.00 0.00 N ATOM 552 CA LEU A 34 8.261 -6.053 -5.952 1.00 0.00 C ATOM 553 C LEU A 34 9.003 -7.019 -5.042 1.00 0.00 C ATOM 554 O LEU A 34 9.400 -8.104 -5.455 1.00 0.00 O ATOM 555 CB LEU A 34 9.262 -5.132 -6.658 1.00 0.00 C ATOM 556 CG LEU A 34 8.668 -4.124 -7.646 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.761 -3.240 -8.220 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.919 -4.839 -8.761 1.00 0.00 C ATOM 0 H LEU A 34 7.517 -4.278 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 34 7.712 -6.610 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.817 -4.582 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.982 -5.752 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 34 7.958 -3.495 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.323 -2.529 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.252 -2.698 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.493 -3.858 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.505 -4.104 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.605 -5.495 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.110 -5.431 -8.334 1.00 0.00 H new ATOM 570 N TYR A 35 9.166 -6.609 -3.793 1.00 0.00 N ATOM 571 CA TYR A 35 9.836 -7.410 -2.792 1.00 0.00 C ATOM 572 C TYR A 35 9.019 -8.663 -2.490 1.00 0.00 C ATOM 573 O TYR A 35 9.512 -9.784 -2.618 1.00 0.00 O ATOM 574 CB TYR A 35 10.064 -6.592 -1.517 1.00 0.00 C ATOM 575 CG TYR A 35 10.772 -7.349 -0.419 1.00 0.00 C ATOM 576 CD1 TYR A 35 12.140 -7.579 -0.477 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.072 -7.832 0.679 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.789 -8.267 0.527 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.715 -8.521 1.685 1.00 0.00 C ATOM 580 CZ TYR A 35 12.071 -8.735 1.605 1.00 0.00 C ATOM 581 OH TYR A 35 12.714 -9.419 2.607 1.00 0.00 O ATOM 0 H TYR A 35 8.835 -5.708 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 35 10.808 -7.715 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.646 -5.705 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.101 -6.246 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.705 -7.213 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.007 -7.665 0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.854 -8.438 0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.156 -8.891 2.532 1.00 0.00 H new ATOM 0 HH TYR A 35 12.065 -9.679 3.294 1.00 0.00 H new ATOM 591 N LEU A 36 7.756 -8.461 -2.104 1.00 0.00 N ATOM 592 CA LEU A 36 6.860 -9.562 -1.787 1.00 0.00 C ATOM 593 C LEU A 36 6.611 -10.455 -3.005 1.00 0.00 C ATOM 594 O LEU A 36 6.305 -11.637 -2.860 1.00 0.00 O ATOM 595 CB LEU A 36 5.555 -9.066 -1.133 1.00 0.00 C ATOM 596 CG LEU A 36 4.663 -8.148 -1.963 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.765 -8.955 -2.874 1.00 0.00 C ATOM 598 CD2 LEU A 36 3.842 -7.254 -1.057 1.00 0.00 C ATOM 0 H LEU A 36 7.335 -7.537 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 36 7.356 -10.187 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.968 -9.939 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.816 -8.542 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 36 5.299 -7.519 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.137 -8.281 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.376 -9.556 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.134 -9.611 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.210 -6.604 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.216 -7.868 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.508 -6.645 -0.446 1.00 0.00 H new ATOM 610 N GLN A 37 6.705 -9.868 -4.211 1.00 0.00 N ATOM 611 CA GLN A 37 6.595 -10.642 -5.454 1.00 0.00 C ATOM 612 C GLN A 37 7.586 -11.804 -5.417 1.00 0.00 C ATOM 613 O GLN A 37 7.274 -12.924 -5.835 1.00 0.00 O ATOM 614 CB GLN A 37 6.903 -9.763 -6.672 1.00 0.00 C ATOM 615 CG GLN A 37 5.792 -8.803 -7.060 1.00 0.00 C ATOM 616 CD GLN A 37 4.569 -9.515 -7.586 1.00 0.00 C ATOM 617 OE1 GLN A 37 4.665 -10.595 -8.171 1.00 0.00 O ATOM 618 NE2 GLN A 37 3.417 -8.915 -7.408 1.00 0.00 N ATOM 0 H GLN A 37 6.856 -8.869 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 37 5.575 -11.017 -5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.807 -9.188 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.120 -10.408 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.515 -8.204 -6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.161 -8.113 -7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.378 -8.021 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.560 -9.342 -7.759 1.00 0.00 H new ATOM 627 N HIS A 38 8.781 -11.526 -4.892 1.00 0.00 N ATOM 628 CA HIS A 38 9.805 -12.549 -4.747 1.00 0.00 C ATOM 629 C HIS A 38 9.344 -13.609 -3.759 1.00 0.00 C ATOM 630 O HIS A 38 9.483 -14.807 -4.007 1.00 0.00 O ATOM 631 CB HIS A 38 11.134 -11.943 -4.280 1.00 0.00 C ATOM 632 CG HIS A 38 11.840 -11.148 -5.333 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.766 -9.839 -5.652 1.00 0.00 N flip ATOM 634 CD2 HIS A 38 12.741 -11.700 -6.210 1.00 0.00 C flip ATOM 635 CE1 HIS A 38 12.616 -9.625 -6.706 1.00 0.00 C flip ATOM 636 NE2 HIS A 38 13.190 -10.770 -7.022 1.00 0.00 N flip ATOM 0 H HIS A 38 9.058 -10.601 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 38 9.965 -13.007 -5.723 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.947 -11.302 -3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.790 -12.746 -3.944 1.00 0.00 H new ATOM 0 HD1 HIS A 38 11.185 -9.138 -5.193 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.035 -12.739 -6.229 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.787 -8.678 -7.196 1.00 0.00 H new ATOM 645 N GLN A 39 8.782 -13.148 -2.632 1.00 0.00 N ATOM 646 CA GLN A 39 8.248 -14.034 -1.599 1.00 0.00 C ATOM 647 C GLN A 39 7.221 -14.997 -2.181 1.00 0.00 C ATOM 648 O GLN A 39 7.304 -16.206 -1.979 1.00 0.00 O ATOM 649 CB GLN A 39 7.599 -13.224 -0.471 1.00 0.00 C ATOM 650 CG GLN A 39 8.537 -12.259 0.232 1.00 0.00 C ATOM 651 CD GLN A 39 7.847 -11.485 1.342 1.00 0.00 C ATOM 652 OE1 GLN A 39 6.656 -11.192 1.264 1.00 0.00 O ATOM 653 NE2 GLN A 39 8.585 -11.161 2.385 1.00 0.00 N ATOM 0 H GLN A 39 8.687 -12.156 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 39 9.083 -14.607 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.760 -12.662 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.190 -13.915 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.379 -12.813 0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.945 -11.558 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.571 -11.422 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.170 -10.649 3.164 1.00 0.00 H new ATOM 662 N LEU A 40 6.233 -14.433 -2.881 1.00 0.00 N ATOM 663 CA LEU A 40 5.175 -15.201 -3.528 1.00 0.00 C ATOM 664 C LEU A 40 5.753 -16.330 -4.381 1.00 0.00 C ATOM 665 O LEU A 40 5.364 -17.489 -4.228 1.00 0.00 O ATOM 666 CB LEU A 40 4.299 -14.250 -4.382 1.00 0.00 C ATOM 667 CG LEU A 40 2.924 -14.783 -4.856 1.00 0.00 C ATOM 668 CD1 LEU A 40 3.070 -15.773 -6.002 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.164 -15.412 -3.700 1.00 0.00 C ATOM 0 H LEU A 40 6.147 -13.425 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 40 4.555 -15.664 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.128 -13.341 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.872 -13.965 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 40 2.353 -13.932 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.084 -16.125 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.558 -15.284 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.673 -16.621 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.201 -15.780 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.742 -16.242 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.003 -14.666 -2.922 1.00 0.00 H new ATOM 681 N ASP A 41 6.693 -15.993 -5.263 1.00 0.00 N ATOM 682 CA ASP A 41 7.306 -17.002 -6.129 1.00 0.00 C ATOM 683 C ASP A 41 8.003 -18.070 -5.309 1.00 0.00 C ATOM 684 O ASP A 41 7.953 -19.260 -5.632 1.00 0.00 O ATOM 685 CB ASP A 41 8.290 -16.384 -7.114 1.00 0.00 C ATOM 686 CG ASP A 41 8.983 -17.444 -7.954 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.305 -18.098 -8.776 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.207 -17.635 -7.793 1.00 0.00 O ATOM 0 H ASP A 41 7.043 -15.044 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 41 6.499 -17.461 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.763 -15.689 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.036 -15.806 -6.569 1.00 0.00 H new ATOM 693 N GLU A 42 8.649 -17.636 -4.239 1.00 0.00 N ATOM 694 CA GLU A 42 9.353 -18.527 -3.342 1.00 0.00 C ATOM 695 C GLU A 42 8.372 -19.498 -2.677 1.00 0.00 C ATOM 696 O GLU A 42 8.657 -20.696 -2.545 1.00 0.00 O ATOM 697 CB GLU A 42 10.121 -17.706 -2.288 1.00 0.00 C ATOM 698 CG GLU A 42 10.894 -18.529 -1.270 1.00 0.00 C ATOM 699 CD GLU A 42 11.745 -17.666 -0.353 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.182 -16.936 0.486 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.990 -17.705 -0.477 1.00 0.00 O ATOM 0 H GLU A 42 8.698 -16.653 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 42 10.072 -19.116 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.818 -17.044 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.412 -17.071 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.194 -19.111 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.534 -19.240 -1.792 1.00 0.00 H new ATOM 708 N LEU A 43 7.208 -18.989 -2.279 1.00 0.00 N ATOM 709 CA LEU A 43 6.183 -19.794 -1.639 1.00 0.00 C ATOM 710 C LEU A 43 5.636 -20.858 -2.575 1.00 0.00 C ATOM 711 O LEU A 43 5.311 -21.954 -2.142 1.00 0.00 O ATOM 712 CB LEU A 43 5.039 -18.898 -1.165 1.00 0.00 C ATOM 713 CG LEU A 43 3.854 -19.622 -0.526 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.248 -20.228 0.800 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.674 -18.683 -0.367 1.00 0.00 C ATOM 0 H LEU A 43 6.954 -18.008 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 43 6.642 -20.296 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.436 -18.183 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.674 -18.324 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 43 3.552 -20.433 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.389 -20.738 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.056 -20.944 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.584 -19.440 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.842 -19.219 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.959 -17.845 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.372 -18.309 -1.345 1.00 0.00 H new ATOM 727 N ASN A 44 5.541 -20.529 -3.857 1.00 0.00 N ATOM 728 CA ASN A 44 4.991 -21.456 -4.854 1.00 0.00 C ATOM 729 C ASN A 44 5.799 -22.743 -4.883 1.00 0.00 C ATOM 730 O ASN A 44 5.260 -23.827 -5.091 1.00 0.00 O ATOM 731 CB ASN A 44 4.984 -20.807 -6.248 1.00 0.00 C ATOM 732 CG ASN A 44 4.103 -19.576 -6.335 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.113 -19.453 -5.630 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.457 -18.659 -7.216 1.00 0.00 N ATOM 0 H ASN A 44 5.836 -19.629 -4.237 1.00 0.00 H new ATOM 0 HA ASN A 44 3.964 -21.691 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.004 -20.534 -6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.645 -21.540 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.897 -17.813 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.291 -18.796 -7.788 1.00 0.00 H new ATOM 741 N GLU A 45 7.092 -22.609 -4.645 1.00 0.00 N ATOM 742 CA GLU A 45 7.995 -23.743 -4.651 1.00 0.00 C ATOM 743 C GLU A 45 8.000 -24.471 -3.297 1.00 0.00 C ATOM 744 O GLU A 45 7.903 -25.700 -3.243 1.00 0.00 O ATOM 745 CB GLU A 45 9.408 -23.270 -4.997 1.00 0.00 C ATOM 746 CG GLU A 45 10.421 -24.390 -5.122 1.00 0.00 C ATOM 747 CD GLU A 45 10.074 -25.362 -6.221 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.405 -25.087 -7.387 1.00 0.00 O ATOM 749 OE2 GLU A 45 9.483 -26.418 -5.921 1.00 0.00 O ATOM 0 H GLU A 45 7.542 -21.716 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 45 7.647 -24.450 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.375 -22.718 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.745 -22.574 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.406 -23.965 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.485 -24.925 -4.175 1.00 0.00 H new ATOM 756 N ASN A 46 8.080 -23.710 -2.212 1.00 0.00 N ATOM 757 CA ASN A 46 8.172 -24.297 -0.865 1.00 0.00 C ATOM 758 C ASN A 46 6.834 -24.867 -0.413 1.00 0.00 C ATOM 759 O ASN A 46 6.785 -25.866 0.297 1.00 0.00 O ATOM 760 CB ASN A 46 8.641 -23.248 0.154 1.00 0.00 C ATOM 761 CG ASN A 46 10.053 -22.757 -0.096 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.895 -23.485 -0.619 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.321 -21.525 0.280 1.00 0.00 N ATOM 0 H ASN A 46 8.084 -22.690 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 46 8.900 -25.107 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.959 -22.398 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.584 -23.674 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.256 -21.141 0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.594 -20.954 0.710 1.00 0.00 H new ATOM 770 N LYS A 47 5.756 -24.204 -0.830 1.00 0.00 N ATOM 771 CA LYS A 47 4.380 -24.566 -0.427 1.00 0.00 C ATOM 772 C LYS A 47 4.264 -24.537 1.119 1.00 0.00 C ATOM 773 O LYS A 47 3.389 -25.169 1.711 1.00 0.00 O ATOM 774 CB LYS A 47 4.045 -25.972 -0.942 1.00 0.00 C ATOM 775 CG LYS A 47 2.562 -26.213 -1.202 1.00 0.00 C ATOM 776 CD LYS A 47 2.042 -25.388 -2.384 1.00 0.00 C ATOM 777 CE LYS A 47 2.811 -25.695 -3.662 1.00 0.00 C ATOM 778 NZ LYS A 47 2.150 -25.135 -4.864 1.00 0.00 N ATOM 0 H LYS A 47 5.802 -23.400 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 47 3.680 -23.849 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.596 -26.148 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.398 -26.705 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.397 -27.272 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.992 -25.963 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.983 -25.597 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.127 -24.326 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.820 -25.290 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.909 -26.775 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.565 -25.560 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.132 -25.347 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.288 -24.104 -4.888 1.00 0.00 H new ATOM 792 N SER A 48 5.179 -23.810 1.742 1.00 0.00 N ATOM 793 CA SER A 48 5.229 -23.688 3.192 1.00 0.00 C ATOM 794 C SER A 48 4.016 -22.940 3.744 1.00 0.00 C ATOM 795 O SER A 48 3.780 -21.781 3.408 1.00 0.00 O ATOM 796 CB SER A 48 6.534 -23.017 3.636 1.00 0.00 C ATOM 797 OG SER A 48 6.539 -22.769 5.033 1.00 0.00 O ATOM 0 H SER A 48 5.908 -23.288 1.257 1.00 0.00 H new ATOM 0 HA SER A 48 5.201 -24.696 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.379 -23.654 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.664 -22.078 3.098 1.00 0.00 H new ATOM 0 HG SER A 48 7.384 -22.342 5.286 1.00 0.00 H new ATOM 803 N LYS A 49 3.245 -23.617 4.588 1.00 0.00 N ATOM 804 CA LYS A 49 2.064 -23.016 5.210 1.00 0.00 C ATOM 805 C LYS A 49 2.426 -21.819 6.088 1.00 0.00 C ATOM 806 O LYS A 49 1.754 -20.792 6.060 1.00 0.00 O ATOM 807 CB LYS A 49 1.236 -24.072 6.000 1.00 0.00 C ATOM 808 CG LYS A 49 2.041 -25.218 6.640 1.00 0.00 C ATOM 809 CD LYS A 49 2.666 -24.824 7.964 1.00 0.00 C ATOM 810 CE LYS A 49 3.522 -25.958 8.521 1.00 0.00 C ATOM 811 NZ LYS A 49 4.044 -25.663 9.883 1.00 0.00 N ATOM 0 H LYS A 49 3.415 -24.585 4.860 1.00 0.00 H new ATOM 0 HA LYS A 49 1.435 -22.641 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.685 -23.558 6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.498 -24.505 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.386 -26.076 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.825 -25.534 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.279 -23.932 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.883 -24.569 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.931 -26.873 8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.359 -26.142 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.750 -26.379 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.487 -24.722 9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.260 -25.681 10.567 1.00 0.00 H new ATOM 825 N GLU A 50 3.492 -21.957 6.849 1.00 0.00 N ATOM 826 CA GLU A 50 3.952 -20.878 7.709 1.00 0.00 C ATOM 827 C GLU A 50 4.474 -19.710 6.882 1.00 0.00 C ATOM 828 O GLU A 50 4.274 -18.551 7.246 1.00 0.00 O ATOM 829 CB GLU A 50 4.991 -21.377 8.713 1.00 0.00 C ATOM 830 CG GLU A 50 6.079 -22.240 8.105 1.00 0.00 C ATOM 831 CD GLU A 50 6.691 -23.177 9.109 1.00 0.00 C ATOM 832 OE1 GLU A 50 5.930 -23.825 9.854 1.00 0.00 O ATOM 833 OE2 GLU A 50 7.928 -23.298 9.141 1.00 0.00 O ATOM 0 H GLU A 50 4.058 -22.804 6.892 1.00 0.00 H new ATOM 0 HA GLU A 50 3.101 -20.514 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.453 -20.517 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.483 -21.947 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.663 -22.817 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.856 -21.600 7.687 1.00 0.00 H new ATOM 840 N LEU A 51 5.136 -20.005 5.773 1.00 0.00 N ATOM 841 CA LEU A 51 5.578 -18.951 4.871 1.00 0.00 C ATOM 842 C LEU A 51 4.364 -18.218 4.293 1.00 0.00 C ATOM 843 O LEU A 51 4.354 -16.993 4.215 1.00 0.00 O ATOM 844 CB LEU A 51 6.442 -19.527 3.745 1.00 0.00 C ATOM 845 CG LEU A 51 7.041 -18.508 2.772 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.952 -17.538 3.504 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.797 -19.216 1.659 1.00 0.00 C ATOM 0 H LEU A 51 5.377 -20.951 5.478 1.00 0.00 H new ATOM 0 HA LEU A 51 6.185 -18.242 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.257 -20.095 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.838 -20.233 3.175 1.00 0.00 H new ATOM 0 HG LEU A 51 6.225 -17.939 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.367 -16.823 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.381 -17.005 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.763 -18.089 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.216 -18.477 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.603 -19.812 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.115 -19.868 1.113 1.00 0.00 H new ATOM 859 N GLN A 52 3.333 -18.983 3.915 1.00 0.00 N ATOM 860 CA GLN A 52 2.087 -18.399 3.408 1.00 0.00 C ATOM 861 C GLN A 52 1.489 -17.443 4.434 1.00 0.00 C ATOM 862 O GLN A 52 1.059 -16.340 4.093 1.00 0.00 O ATOM 863 CB GLN A 52 1.071 -19.501 3.043 1.00 0.00 C ATOM 864 CG GLN A 52 -0.380 -19.008 2.987 1.00 0.00 C ATOM 865 CD GLN A 52 -1.344 -19.993 2.339 1.00 0.00 C ATOM 866 OE1 GLN A 52 -0.889 -20.693 1.318 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 -2.504 -20.094 2.740 1.00 0.00 N flip ATOM 0 H GLN A 52 3.337 -20.002 3.950 1.00 0.00 H new ATOM 0 HA GLN A 52 2.320 -17.837 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.339 -19.924 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.144 -20.306 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.720 -18.796 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.413 -18.068 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.820 -19.536 3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.149 -20.736 2.279 1.00 0.00 H new ATOM 876 N GLU A 53 1.492 -17.872 5.691 1.00 0.00 N ATOM 877 CA GLU A 53 0.977 -17.095 6.793 1.00 0.00 C ATOM 878 C GLU A 53 1.684 -15.739 6.874 1.00 0.00 C ATOM 879 O GLU A 53 1.041 -14.698 6.956 1.00 0.00 O ATOM 880 CB GLU A 53 1.200 -17.887 8.080 1.00 0.00 C ATOM 881 CG GLU A 53 0.715 -17.195 9.325 1.00 0.00 C ATOM 882 CD GLU A 53 -0.776 -17.317 9.521 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.537 -16.788 8.696 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.194 -17.954 10.507 1.00 0.00 O ATOM 0 H GLU A 53 1.859 -18.782 5.968 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.087 -16.906 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.695 -18.849 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.265 -18.095 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.226 -17.616 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.985 -16.140 9.277 1.00 0.00 H new ATOM 891 N LYS A 54 3.005 -15.767 6.817 1.00 0.00 N ATOM 892 CA LYS A 54 3.804 -14.546 6.895 1.00 0.00 C ATOM 893 C LYS A 54 3.529 -13.635 5.700 1.00 0.00 C ATOM 894 O LYS A 54 3.327 -12.436 5.858 1.00 0.00 O ATOM 895 CB LYS A 54 5.299 -14.885 6.956 1.00 0.00 C ATOM 896 CG LYS A 54 5.711 -15.694 8.179 1.00 0.00 C ATOM 897 CD LYS A 54 5.584 -14.894 9.479 1.00 0.00 C ATOM 898 CE LYS A 54 6.778 -13.953 9.711 1.00 0.00 C ATOM 899 NZ LYS A 54 6.817 -12.806 8.762 1.00 0.00 N ATOM 0 H LYS A 54 3.552 -16.622 6.717 1.00 0.00 H new ATOM 0 HA LYS A 54 3.520 -14.019 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.570 -15.442 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.871 -13.957 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.092 -16.589 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.742 -16.027 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.664 -14.309 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.500 -15.583 10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.737 -13.571 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.703 -14.522 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.249 -11.983 9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.380 -13.065 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.849 -12.567 8.466 1.00 0.00 H new ATOM 913 N ILE A 55 3.500 -14.227 4.522 1.00 0.00 N ATOM 914 CA ILE A 55 3.305 -13.475 3.286 1.00 0.00 C ATOM 915 C ILE A 55 1.938 -12.780 3.240 1.00 0.00 C ATOM 916 O ILE A 55 1.857 -11.571 3.013 1.00 0.00 O ATOM 917 CB ILE A 55 3.486 -14.370 2.034 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.921 -14.905 1.978 1.00 0.00 C ATOM 919 CG2 ILE A 55 3.154 -13.592 0.760 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.173 -15.858 0.833 1.00 0.00 C ATOM 0 H ILE A 55 3.609 -15.232 4.389 1.00 0.00 H new ATOM 0 HA ILE A 55 4.076 -12.705 3.275 1.00 0.00 H new ATOM 0 HB ILE A 55 2.798 -15.212 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.609 -14.064 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.147 -15.412 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.288 -14.239 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.120 -13.250 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.817 -12.731 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.210 -16.193 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.511 -16.719 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.981 -15.350 -0.112 1.00 0.00 H new ATOM 932 N ILE A 56 0.869 -13.533 3.478 1.00 0.00 N ATOM 933 CA ILE A 56 -0.471 -12.958 3.411 1.00 0.00 C ATOM 934 C ILE A 56 -0.712 -11.966 4.560 1.00 0.00 C ATOM 935 O ILE A 56 -1.406 -10.965 4.385 1.00 0.00 O ATOM 936 CB ILE A 56 -1.588 -14.053 3.377 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.959 -13.414 3.113 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.613 -14.860 4.665 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.086 -14.419 2.965 1.00 0.00 C ATOM 0 H ILE A 56 0.901 -14.525 3.715 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.529 -12.411 2.470 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.359 -14.738 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.196 -12.734 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.900 -12.812 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.400 -15.612 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.651 -15.352 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.806 -14.195 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.022 -13.892 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.873 -15.084 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.174 -15.005 3.880 1.00 0.00 H new ATOM 951 N ARG A 57 -0.115 -12.230 5.718 1.00 0.00 N ATOM 952 CA ARG A 57 -0.260 -11.339 6.873 1.00 0.00 C ATOM 953 C ARG A 57 0.454 -10.021 6.642 1.00 0.00 C ATOM 954 O ARG A 57 -0.101 -8.963 6.922 1.00 0.00 O ATOM 955 CB ARG A 57 0.222 -12.017 8.163 1.00 0.00 C ATOM 956 CG ARG A 57 -0.877 -12.781 8.911 1.00 0.00 C ATOM 957 CD ARG A 57 -1.767 -13.543 7.947 1.00 0.00 C ATOM 958 NE ARG A 57 -2.709 -14.439 8.613 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.938 -14.093 9.023 1.00 0.00 C ATOM 960 NH1 ARG A 57 -4.322 -12.816 9.011 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.769 -15.028 9.471 1.00 0.00 N ATOM 0 H ARG A 57 0.471 -13.048 5.885 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.321 -11.122 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.029 -12.707 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.640 -11.259 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.424 -13.475 9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.479 -12.082 9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.323 -12.831 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.142 -14.124 7.269 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.410 -15.400 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.679 -12.093 8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.259 -12.562 9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.471 -16.003 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.705 -14.771 9.784 1.00 0.00 H new ATOM 975 N GLU A 58 1.670 -10.070 6.107 1.00 0.00 N ATOM 976 CA GLU A 58 2.383 -8.837 5.807 1.00 0.00 C ATOM 977 C GLU A 58 1.667 -8.073 4.709 1.00 0.00 C ATOM 978 O GLU A 58 1.645 -6.844 4.714 1.00 0.00 O ATOM 979 CB GLU A 58 3.833 -9.096 5.413 1.00 0.00 C ATOM 980 CG GLU A 58 4.675 -9.685 6.525 1.00 0.00 C ATOM 981 CD GLU A 58 4.841 -8.759 7.699 1.00 0.00 C ATOM 982 OE1 GLU A 58 5.746 -7.901 7.661 1.00 0.00 O ATOM 983 OE2 GLU A 58 4.095 -8.905 8.685 1.00 0.00 O ATOM 0 H GLU A 58 2.171 -10.928 5.877 1.00 0.00 H new ATOM 0 HA GLU A 58 2.396 -8.236 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.852 -9.773 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.284 -8.159 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.217 -10.614 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.658 -9.940 6.131 1.00 0.00 H new ATOM 990 N LEU A 59 1.055 -8.805 3.777 1.00 0.00 N ATOM 991 CA LEU A 59 0.291 -8.186 2.709 1.00 0.00 C ATOM 992 C LEU A 59 -0.885 -7.455 3.321 1.00 0.00 C ATOM 993 O LEU A 59 -1.151 -6.311 2.988 1.00 0.00 O ATOM 994 CB LEU A 59 -0.197 -9.244 1.695 1.00 0.00 C ATOM 995 CG LEU A 59 -0.742 -8.727 0.333 1.00 0.00 C ATOM 996 CD1 LEU A 59 -2.031 -7.936 0.476 1.00 0.00 C ATOM 997 CD2 LEU A 59 0.311 -7.921 -0.412 1.00 0.00 C ATOM 0 H LEU A 59 1.077 -9.824 3.746 1.00 0.00 H new ATOM 0 HA LEU A 59 0.925 -7.483 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.631 -9.923 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.982 -9.832 2.172 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.981 -9.611 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.363 -7.601 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.798 -8.568 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.858 -7.070 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.100 -7.574 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.607 -7.063 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.182 -8.548 -0.602 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.574 -8.130 4.242 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.728 -7.556 4.929 1.00 0.00 C ATOM 1011 C ASP A 60 -2.333 -6.276 5.639 1.00 0.00 C ATOM 1012 O ASP A 60 -3.018 -5.265 5.547 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.311 -8.555 5.927 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.406 -7.952 6.786 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.487 -7.636 6.248 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.195 -7.808 8.008 1.00 0.00 O ATOM 0 H ASP A 60 -1.349 -9.082 4.530 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.491 -7.325 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.710 -9.413 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.514 -8.927 6.570 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.203 -6.323 6.311 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.662 -5.181 7.021 1.00 0.00 C ATOM 1023 C VAL A 61 -0.370 -4.016 6.060 1.00 0.00 C ATOM 1024 O VAL A 61 -0.765 -2.871 6.317 1.00 0.00 O ATOM 1025 CB VAL A 61 0.636 -5.601 7.753 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.408 -4.414 8.290 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.325 -6.577 8.873 1.00 0.00 C ATOM 0 H VAL A 61 -0.628 -7.162 6.381 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.402 -4.840 7.746 1.00 0.00 H new ATOM 0 HB VAL A 61 1.271 -6.092 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.309 -4.764 8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.685 -3.757 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.786 -3.866 8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.250 -6.861 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.348 -6.106 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.150 -7.466 8.459 1.00 0.00 H new ATOM 1037 N VAL A 62 0.294 -4.317 4.951 1.00 0.00 N ATOM 1038 CA VAL A 62 0.664 -3.295 3.977 1.00 0.00 C ATOM 1039 C VAL A 62 -0.548 -2.767 3.199 1.00 0.00 C ATOM 1040 O VAL A 62 -0.694 -1.553 3.036 1.00 0.00 O ATOM 1041 CB VAL A 62 1.734 -3.804 2.987 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.044 -2.740 1.945 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.003 -4.197 3.732 1.00 0.00 C ATOM 0 H VAL A 62 0.588 -5.262 4.702 1.00 0.00 H new ATOM 0 HA VAL A 62 1.085 -2.472 4.554 1.00 0.00 H new ATOM 0 HB VAL A 62 1.341 -4.684 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.800 -3.115 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.137 -2.497 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.418 -1.844 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.747 -4.554 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.396 -3.330 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.775 -4.989 4.446 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.433 -3.656 2.753 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.596 -3.204 1.992 1.00 0.00 C ATOM 1055 C CYS A 63 -3.490 -2.319 2.867 1.00 0.00 C ATOM 1056 O CYS A 63 -4.009 -1.305 2.415 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.387 -4.382 1.401 1.00 0.00 C ATOM 1058 SG CYS A 63 -3.996 -5.571 2.606 1.00 0.00 S ATOM 0 H CYS A 63 -1.372 -4.664 2.899 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.236 -2.611 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.235 -3.986 0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.751 -4.905 0.687 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.631 -5.205 3.799 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.601 -2.681 4.146 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.425 -1.953 5.100 1.00 0.00 C ATOM 1066 C ALA A 64 -3.880 -0.558 5.374 1.00 0.00 C ATOM 1067 O ALA A 64 -4.647 0.414 5.421 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.492 -2.731 6.398 1.00 0.00 C ATOM 0 H ALA A 64 -3.121 -3.487 4.545 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.420 -1.843 4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.108 -2.189 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.929 -3.712 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.487 -2.852 6.802 1.00 0.00 H new ATOM 1074 N MET A 65 -2.571 -0.442 5.561 1.00 0.00 N ATOM 1075 CA MET A 65 -1.979 0.859 5.846 1.00 0.00 C ATOM 1076 C MET A 65 -2.025 1.743 4.602 1.00 0.00 C ATOM 1077 O MET A 65 -2.298 2.941 4.691 1.00 0.00 O ATOM 1078 CB MET A 65 -0.538 0.728 6.371 1.00 0.00 C ATOM 1079 CG MET A 65 0.487 0.365 5.312 1.00 0.00 C ATOM 1080 SD MET A 65 2.177 0.365 5.933 1.00 0.00 S ATOM 1081 CE MET A 65 2.107 -1.021 7.049 1.00 0.00 C ATOM 0 H MET A 65 -1.909 -1.217 5.522 1.00 0.00 H new ATOM 0 HA MET A 65 -2.568 1.329 6.634 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.246 1.671 6.833 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.517 -0.030 7.154 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.253 -0.622 4.912 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.411 1.070 4.484 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.942 -1.692 6.849 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.167 -0.664 8.077 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.169 -1.557 6.905 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.784 1.135 3.442 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.818 1.855 2.176 1.00 0.00 C ATOM 1093 C ILE A 66 -3.224 2.398 1.895 1.00 0.00 C ATOM 1094 O ILE A 66 -3.378 3.549 1.498 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.313 0.961 0.987 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.190 1.179 0.728 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.103 1.217 -0.291 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.085 0.907 1.916 1.00 0.00 C ATOM 0 H ILE A 66 -1.563 0.143 3.355 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.136 2.701 2.261 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.473 -0.076 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.499 0.536 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.343 2.209 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.722 0.579 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.156 0.993 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.997 2.262 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.123 1.087 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.809 1.568 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.968 -0.130 2.230 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.244 1.580 2.148 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.623 1.988 1.908 1.00 0.00 C ATOM 1112 C GLU A 67 -6.066 3.053 2.902 1.00 0.00 C ATOM 1113 O GLU A 67 -6.802 3.982 2.549 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.570 0.793 1.957 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.397 -0.178 0.803 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.435 -1.272 0.816 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.556 -1.037 0.312 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.152 -2.369 1.333 1.00 0.00 O ATOM 0 H GLU A 67 -4.140 0.635 2.518 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.663 2.417 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.416 0.259 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.598 1.156 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.458 0.366 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.403 -0.623 0.851 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.601 2.918 4.143 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.967 3.854 5.187 1.00 0.00 C ATOM 1127 C GLY A 68 -5.407 5.233 4.935 1.00 0.00 C ATOM 1128 O GLY A 68 -6.125 6.233 5.025 1.00 0.00 O ATOM 0 H GLY A 68 -4.974 2.171 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.053 3.912 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.605 3.486 6.147 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.126 5.278 4.598 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.452 6.532 4.310 1.00 0.00 C ATOM 1134 C ALA A 69 -3.992 7.126 3.021 1.00 0.00 C ATOM 1135 O ALA A 69 -4.175 8.325 2.920 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.948 6.320 4.212 1.00 0.00 C ATOM 0 H ALA A 69 -3.531 4.454 4.517 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.644 7.229 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.460 7.270 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.574 5.927 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.732 5.611 3.413 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.277 6.267 2.056 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.798 6.711 0.766 1.00 0.00 C ATOM 1144 C GLN A 70 -6.136 7.431 0.970 1.00 0.00 C ATOM 1145 O GLN A 70 -6.369 8.502 0.424 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.954 5.517 -0.184 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.825 5.866 -1.660 1.00 0.00 C ATOM 1148 CD GLN A 70 -6.110 6.366 -2.270 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -6.399 7.558 -2.260 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.878 5.458 -2.822 1.00 0.00 N ATOM 0 H GLN A 70 -4.158 5.257 2.138 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.094 7.409 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.202 4.768 0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.929 5.059 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.054 6.627 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.491 4.984 -2.207 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.599 4.477 -2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.754 5.733 -3.266 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.960 6.859 1.832 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.279 7.413 2.098 1.00 0.00 C ATOM 1161 C GLY A 71 -8.222 8.743 2.839 1.00 0.00 C ATOM 1162 O GLY A 71 -8.893 9.719 2.467 1.00 0.00 O ATOM 0 H GLY A 71 -6.741 6.014 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.807 7.550 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.856 6.699 2.686 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.392 8.783 3.869 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.272 9.956 4.728 1.00 0.00 C ATOM 1168 C ALA A 72 -6.579 11.101 3.997 1.00 0.00 C ATOM 1169 O ALA A 72 -6.940 12.286 4.155 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.514 9.604 6.001 1.00 0.00 C ATOM 0 H ALA A 72 -6.784 8.008 4.135 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.276 10.284 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.432 10.489 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.050 8.823 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.516 9.248 5.744 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.627 10.739 3.150 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.796 11.701 2.469 1.00 0.00 C ATOM 1178 C LEU A 73 -5.579 12.377 1.380 1.00 0.00 C ATOM 1179 O LEU A 73 -5.581 13.607 1.265 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.596 11.001 1.861 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.664 11.870 1.046 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.844 12.767 1.953 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.782 11.010 0.169 1.00 0.00 C ATOM 0 H LEU A 73 -5.415 9.768 2.920 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.459 12.448 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.022 10.542 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.956 10.192 1.225 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.257 12.514 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.179 13.385 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.511 13.408 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.252 12.154 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.116 11.647 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.190 10.340 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.403 10.422 -0.507 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.249 11.556 0.573 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.031 12.044 -0.529 1.00 0.00 C ATOM 1197 C GLU A 74 -8.108 12.987 -0.021 1.00 0.00 C ATOM 1198 O GLU A 74 -8.365 14.009 -0.616 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.587 10.863 -1.355 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.783 10.144 -0.758 1.00 0.00 C ATOM 1201 CD GLU A 74 -10.105 10.776 -1.168 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -10.371 10.861 -2.387 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -10.885 11.185 -0.280 1.00 0.00 O ATOM 0 H GLU A 74 -6.256 10.541 0.675 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.403 12.622 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.865 11.233 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.787 10.138 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.770 9.100 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.702 10.151 0.329 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.698 12.641 1.126 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.732 13.468 1.737 1.00 0.00 C ATOM 1212 C ARG A 75 -9.185 14.870 2.037 1.00 0.00 C ATOM 1213 O ARG A 75 -9.886 15.868 1.864 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.227 12.814 3.027 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.591 13.300 3.488 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.730 12.598 2.742 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.710 12.837 1.292 1.00 0.00 N ATOM 1218 CZ ARG A 75 -13.567 13.642 0.652 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -14.451 14.356 1.343 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -13.536 13.742 -0.671 1.00 0.00 N ATOM 0 H ARG A 75 -8.475 11.793 1.647 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.565 13.559 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.269 11.735 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.501 13.001 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.696 13.125 4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.664 14.376 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.670 11.526 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.684 12.938 3.146 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.999 12.360 0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.476 14.290 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.104 14.969 0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.856 13.203 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.192 14.358 -1.151 1.00 0.00 H new ATOM 1234 N GLU A 76 -7.947 14.937 2.496 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.304 16.231 2.765 1.00 0.00 C ATOM 1236 C GLU A 76 -7.030 16.986 1.462 1.00 0.00 C ATOM 1237 O GLU A 76 -7.483 18.118 1.283 1.00 0.00 O ATOM 1238 CB GLU A 76 -5.983 16.027 3.511 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.133 15.412 4.882 1.00 0.00 C ATOM 1240 CD GLU A 76 -6.965 16.263 5.808 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -6.419 17.220 6.395 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -8.170 15.979 5.957 1.00 0.00 O ATOM 0 H GLU A 76 -7.364 14.124 2.692 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.985 16.818 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.334 15.391 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.483 16.990 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.592 14.428 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.146 15.262 5.320 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.295 16.357 0.560 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.910 16.995 -0.702 1.00 0.00 C ATOM 1251 C LEU A 77 -7.106 17.339 -1.596 1.00 0.00 C ATOM 1252 O LEU A 77 -7.005 18.208 -2.455 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.853 16.152 -1.456 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.185 14.684 -1.738 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.152 14.545 -2.908 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.911 13.897 -2.004 1.00 0.00 C ATOM 0 H LEU A 77 -5.949 15.404 0.672 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.455 17.949 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.652 16.640 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.927 16.182 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.675 14.276 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.366 13.490 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.079 15.070 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.704 14.975 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.162 12.855 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.397 14.318 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.260 13.953 -1.132 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.240 16.689 -1.364 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.436 16.885 -2.187 1.00 0.00 C ATOM 1270 C LYS A 78 -10.048 18.276 -2.017 1.00 0.00 C ATOM 1271 O LYS A 78 -10.971 18.641 -2.750 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.491 15.827 -1.891 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.313 14.552 -2.708 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.572 14.782 -4.186 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.212 13.555 -5.008 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.961 12.344 -4.574 1.00 0.00 N ATOM 0 H LYS A 78 -8.361 16.016 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.106 16.788 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.458 15.578 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.479 16.243 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.300 14.173 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.993 13.785 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.622 15.029 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.990 15.637 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.421 13.751 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.142 13.366 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.086 11.704 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.428 11.856 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.893 12.625 -4.208 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.548 19.030 -1.040 1.00 0.00 N ATOM 1291 CA ARG A 79 -10.124 20.330 -0.685 1.00 0.00 C ATOM 1292 C ARG A 79 -10.345 21.228 -1.909 1.00 0.00 C ATOM 1293 O ARG A 79 -11.478 21.607 -2.198 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.244 21.038 0.342 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.835 22.332 0.884 1.00 0.00 C ATOM 1296 CD ARG A 79 -8.958 22.919 1.973 1.00 0.00 C ATOM 1297 NE ARG A 79 -8.769 21.982 3.083 1.00 0.00 N ATOM 1298 CZ ARG A 79 -7.838 22.106 4.026 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -7.017 23.150 4.023 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -7.736 21.185 4.977 1.00 0.00 N ATOM 0 H ARG A 79 -8.741 18.763 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.104 20.138 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.059 20.359 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.278 21.256 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.945 23.053 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.833 22.142 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.988 23.186 1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.408 23.839 2.346 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.395 21.178 3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.099 23.861 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.305 23.241 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.370 20.386 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.024 21.277 5.701 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.050 21.916 -12.789 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.038 20.984 -12.305 1.00 0.00 C ATOM 1394 C LEU A 85 -0.589 20.151 -11.151 1.00 0.00 C ATOM 1395 O LEU A 85 -0.475 18.923 -11.153 1.00 0.00 O ATOM 1396 CB LEU A 85 1.210 21.779 -11.858 1.00 0.00 C ATOM 1397 CG LEU A 85 2.525 20.991 -11.671 1.00 0.00 C ATOM 1398 CD1 LEU A 85 3.701 21.950 -11.590 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.485 20.128 -10.419 1.00 0.00 C ATOM 0 HA LEU A 85 0.240 20.301 -13.107 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.390 22.565 -12.592 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.975 22.272 -10.914 1.00 0.00 H new ATOM 0 HG LEU A 85 2.644 20.335 -12.534 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.623 21.384 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.760 22.532 -12.510 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.564 22.623 -10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.426 19.588 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.336 20.762 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.664 19.415 -10.495 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.203 20.823 -10.182 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.738 20.149 -9.003 1.00 0.00 C ATOM 1413 C GLU A 86 -2.735 19.064 -9.385 1.00 0.00 C ATOM 1414 O GLU A 86 -2.627 17.930 -8.923 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.392 21.146 -8.044 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.490 22.301 -7.637 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.147 21.844 -7.111 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -0.065 21.453 -5.935 1.00 0.00 O ATOM 1419 OE2 GLU A 86 0.836 21.895 -7.878 1.00 0.00 O ATOM 0 H GLU A 86 -1.343 21.833 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.896 19.678 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.290 21.548 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.711 20.615 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.335 22.954 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.991 22.894 -6.872 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.700 19.406 -10.245 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.703 18.437 -10.666 1.00 0.00 C ATOM 1428 C ARG A 87 -4.050 17.247 -11.365 1.00 0.00 C ATOM 1429 O ARG A 87 -4.437 16.103 -11.151 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.778 19.084 -11.559 1.00 0.00 C ATOM 1431 CG ARG A 87 -5.319 19.436 -12.964 1.00 0.00 C ATOM 1432 CD ARG A 87 -6.389 20.203 -13.724 1.00 0.00 C ATOM 1433 NE ARG A 87 -7.669 19.487 -13.763 1.00 0.00 N ATOM 1434 CZ ARG A 87 -8.465 19.417 -14.838 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -8.083 19.954 -15.995 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -9.636 18.793 -14.757 1.00 0.00 N ATOM 0 H ARG A 87 -3.803 20.334 -10.655 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.204 18.071 -9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.627 18.404 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.136 19.991 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.409 20.034 -12.912 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.070 18.524 -13.506 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.535 21.177 -13.257 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.047 20.386 -14.743 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.973 19.010 -12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.180 20.422 -16.066 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.694 19.897 -16.810 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.928 18.368 -13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.243 18.739 -15.575 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.029 17.533 -12.183 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.299 16.497 -12.898 1.00 0.00 C ATOM 1452 C PHE A 88 -1.614 15.546 -11.913 1.00 0.00 C ATOM 1453 O PHE A 88 -1.624 14.330 -12.096 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.267 17.140 -13.835 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.431 16.159 -14.603 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -0.947 15.504 -15.710 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.875 15.897 -14.222 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.176 14.604 -16.421 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.651 14.998 -14.928 1.00 0.00 C ATOM 1460 CZ PHE A 88 1.125 14.350 -16.028 1.00 0.00 C ATOM 0 H PHE A 88 -2.694 18.480 -12.362 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.003 15.917 -13.495 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.788 17.786 -14.541 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.608 17.778 -13.246 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.963 15.699 -16.020 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.291 16.402 -13.363 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.589 14.100 -17.282 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.667 14.802 -14.620 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.729 13.646 -16.581 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.039 16.117 -10.860 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.360 15.325 -9.831 1.00 0.00 C ATOM 1472 C ASN A 89 -1.347 14.437 -9.101 1.00 0.00 C ATOM 1473 O ASN A 89 -1.106 13.244 -8.921 1.00 0.00 O ATOM 1474 CB ASN A 89 0.384 16.221 -8.833 1.00 0.00 C ATOM 1475 CG ASN A 89 1.742 16.672 -9.342 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.873 16.822 -10.649 1.00 0.00 O flip ATOM 1477 ND2 ASN A 89 2.667 16.884 -8.562 1.00 0.00 N flip ATOM 0 H ASN A 89 -1.027 17.123 -10.693 1.00 0.00 H new ATOM 0 HA ASN A 89 0.375 14.696 -10.333 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.226 17.098 -8.615 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.514 15.681 -7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.528 16.757 -7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.574 17.187 -8.917 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.458 15.027 -8.681 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.528 14.297 -7.998 1.00 0.00 C ATOM 1486 C TYR A 90 -3.999 13.115 -8.827 1.00 0.00 C ATOM 1487 O TYR A 90 -4.025 11.976 -8.348 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.706 15.230 -7.726 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.508 16.180 -6.570 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.247 16.647 -6.217 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.594 16.615 -5.836 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.082 17.524 -5.166 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.439 17.483 -4.788 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.184 17.939 -4.454 1.00 0.00 C ATOM 1495 OH TYR A 90 -4.034 18.818 -3.406 1.00 0.00 O ATOM 0 H TYR A 90 -2.647 16.022 -8.802 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.131 13.922 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.906 15.812 -8.626 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.593 14.626 -7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.383 16.318 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.583 16.265 -6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.097 17.882 -4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.301 17.809 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.868 18.862 -2.894 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.368 13.395 -10.068 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.837 12.377 -10.992 1.00 0.00 C ATOM 1507 C GLU A 91 -3.812 11.268 -11.169 1.00 0.00 C ATOM 1508 O GLU A 91 -4.149 10.085 -11.093 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.177 13.010 -12.340 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.379 13.933 -12.290 1.00 0.00 C ATOM 1511 CD GLU A 91 -7.577 13.282 -11.636 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -8.194 12.390 -12.258 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.904 13.647 -10.498 1.00 0.00 O ATOM 0 H GLU A 91 -4.350 14.336 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.737 11.929 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.313 13.571 -12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.366 12.219 -13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.116 14.838 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.642 14.238 -13.303 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.560 11.646 -11.385 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.508 10.672 -11.600 1.00 0.00 C ATOM 1522 C GLU A 92 -1.272 9.824 -10.351 1.00 0.00 C ATOM 1523 O GLU A 92 -1.164 8.599 -10.442 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.213 11.342 -12.048 1.00 0.00 C ATOM 1525 CG GLU A 92 0.861 10.357 -12.489 1.00 0.00 C ATOM 1526 CD GLU A 92 0.425 9.500 -13.659 1.00 0.00 C ATOM 1527 OE1 GLU A 92 0.118 10.055 -14.735 1.00 0.00 O ATOM 1528 OE2 GLU A 92 0.412 8.262 -13.521 1.00 0.00 O ATOM 0 H GLU A 92 -2.252 12.618 -11.415 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.839 10.010 -12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.431 12.022 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.175 11.948 -11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.762 10.907 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.123 9.713 -11.650 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.196 10.470 -9.178 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.987 9.760 -7.923 1.00 0.00 C ATOM 1537 C ALA A 93 -2.072 8.720 -7.698 1.00 0.00 C ATOM 1538 O ALA A 93 -1.782 7.578 -7.354 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.944 10.747 -6.758 1.00 0.00 C ATOM 0 H ALA A 93 -1.277 11.482 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.030 9.242 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.787 10.203 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.127 11.452 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.887 11.291 -6.707 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.325 9.122 -7.905 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.453 8.207 -7.763 1.00 0.00 C ATOM 1547 C GLN A 94 -4.355 7.083 -8.772 1.00 0.00 C ATOM 1548 O GLN A 94 -4.660 5.936 -8.464 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.781 8.946 -7.918 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.181 9.730 -6.683 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.418 8.831 -5.484 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -6.847 7.686 -5.627 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -6.133 9.335 -4.301 1.00 0.00 N ATOM 0 H GLN A 94 -3.583 10.072 -8.171 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.416 7.781 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.712 9.628 -8.766 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.565 8.225 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.400 10.452 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.087 10.298 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.779 10.289 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.266 8.772 -3.461 1.00 0.00 H new ATOM 1562 N THR A 95 -3.905 7.420 -9.966 1.00 0.00 N ATOM 1563 CA THR A 95 -3.730 6.447 -11.022 1.00 0.00 C ATOM 1564 C THR A 95 -2.752 5.354 -10.589 1.00 0.00 C ATOM 1565 O THR A 95 -3.070 4.162 -10.649 1.00 0.00 O ATOM 1566 CB THR A 95 -3.222 7.117 -12.317 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.195 8.065 -12.785 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.954 6.082 -13.400 1.00 0.00 C ATOM 0 H THR A 95 -3.652 8.373 -10.228 1.00 0.00 H new ATOM 0 HA THR A 95 -4.703 5.997 -11.222 1.00 0.00 H new ATOM 0 HB THR A 95 -2.286 7.629 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.366 8.730 -12.086 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.597 6.582 -14.301 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.198 5.378 -13.052 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.875 5.543 -13.624 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.584 5.763 -10.104 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.567 4.812 -9.687 1.00 0.00 C ATOM 1578 C LEU A 96 -0.991 4.083 -8.423 1.00 0.00 C ATOM 1579 O LEU A 96 -0.726 2.890 -8.265 1.00 0.00 O ATOM 1580 CB LEU A 96 0.782 5.507 -9.464 1.00 0.00 C ATOM 1581 CG LEU A 96 1.409 6.153 -10.703 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.705 6.860 -10.339 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.659 5.109 -11.784 1.00 0.00 C ATOM 0 H LEU A 96 -1.322 6.742 -9.991 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.452 4.083 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.652 6.276 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.484 4.776 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 96 0.710 6.893 -11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.136 7.313 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.501 7.636 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.408 6.139 -9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.105 5.588 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.337 4.346 -11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.714 4.646 -12.068 1.00 0.00 H new ATOM 1595 N SER A 97 -1.661 4.804 -7.531 1.00 0.00 N ATOM 1596 CA SER A 97 -2.131 4.240 -6.280 1.00 0.00 C ATOM 1597 C SER A 97 -3.069 3.065 -6.541 1.00 0.00 C ATOM 1598 O SER A 97 -2.889 1.971 -5.994 1.00 0.00 O ATOM 1599 CB SER A 97 -2.833 5.310 -5.437 1.00 0.00 C ATOM 1600 OG SER A 97 -3.151 4.821 -4.147 1.00 0.00 O ATOM 0 H SER A 97 -1.890 5.790 -7.657 1.00 0.00 H new ATOM 0 HA SER A 97 -1.268 3.875 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.190 6.186 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.744 5.633 -5.941 1.00 0.00 H new ATOM 0 HG SER A 97 -2.700 5.368 -3.470 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.061 3.298 -7.403 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.043 2.286 -7.746 1.00 0.00 C ATOM 1608 C LYS A 98 -4.391 1.098 -8.446 1.00 0.00 C ATOM 1609 O LYS A 98 -4.814 -0.045 -8.264 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.131 2.899 -8.628 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.946 3.978 -7.925 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.829 4.733 -8.903 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.730 5.725 -8.188 1.00 0.00 C ATOM 1614 NZ LYS A 98 -9.742 5.042 -7.341 1.00 0.00 N ATOM 0 H LYS A 98 -4.200 4.191 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.495 1.918 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.669 3.326 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.802 2.109 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.564 3.523 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.274 4.676 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.206 5.261 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.439 4.026 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.123 6.385 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.235 6.352 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.486 5.718 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.164 4.254 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.285 4.675 -6.482 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.356 1.366 -9.243 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.629 0.295 -9.910 1.00 0.00 C ATOM 1630 C ILE A 99 -1.961 -0.604 -8.871 1.00 0.00 C ATOM 1631 O ILE A 99 -2.011 -1.832 -8.966 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.556 0.835 -10.892 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.225 1.582 -12.053 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.692 -0.311 -11.419 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.248 2.200 -13.034 1.00 0.00 C ATOM 0 H ILE A 99 -3.008 2.305 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.354 -0.275 -10.492 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.913 1.533 -10.356 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.875 0.891 -12.590 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.862 2.368 -11.647 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.056 0.084 -12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.193 -0.804 -10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.322 -1.031 -11.942 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.799 2.709 -13.824 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.614 2.918 -12.513 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.627 1.418 -13.471 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.370 0.026 -7.860 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.696 -0.695 -6.790 1.00 0.00 C ATOM 1649 C LEU A 100 -1.685 -1.545 -6.005 1.00 0.00 C ATOM 1650 O LEU A 100 -1.390 -2.682 -5.638 1.00 0.00 O ATOM 1651 CB LEU A 100 0.033 0.271 -5.851 1.00 0.00 C ATOM 1652 CG LEU A 100 1.197 1.051 -6.468 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.814 1.982 -5.440 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.249 0.100 -7.022 1.00 0.00 C ATOM 0 H LEU A 100 -1.346 1.041 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 100 0.043 -1.353 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.692 0.986 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.411 -0.296 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 100 0.809 1.650 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.640 2.529 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.061 2.687 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.185 1.399 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.067 0.675 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.633 -0.527 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.801 -0.530 -7.790 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.869 -0.983 -5.762 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.932 -1.685 -5.051 1.00 0.00 C ATOM 1668 C LEU A 101 -4.344 -2.940 -5.802 1.00 0.00 C ATOM 1669 O LEU A 101 -4.509 -4.007 -5.202 1.00 0.00 O ATOM 1670 CB LEU A 101 -5.155 -0.775 -4.866 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.975 0.424 -3.930 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -6.255 1.240 -3.867 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -4.574 -0.045 -2.541 1.00 0.00 C ATOM 0 H LEU A 101 -3.115 -0.036 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.546 -1.967 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.455 -0.402 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.979 -1.382 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.180 1.057 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.113 2.089 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.505 1.602 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.066 0.616 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.450 0.818 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.350 -0.696 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.634 -0.594 -2.600 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.503 -2.821 -7.114 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.881 -3.960 -7.933 1.00 0.00 C ATOM 1687 C LYS A 102 -3.786 -5.022 -7.941 1.00 0.00 C ATOM 1688 O LYS A 102 -4.084 -6.221 -7.985 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.213 -3.523 -9.363 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.435 -2.617 -9.456 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.794 -2.293 -10.902 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.697 -1.502 -11.598 1.00 0.00 C ATOM 1693 NZ LYS A 102 -6.050 -1.188 -13.006 1.00 0.00 N ATOM 0 H LYS A 102 -4.376 -1.950 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.776 -4.399 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.353 -3.003 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.381 -4.409 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.283 -3.100 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.243 -1.691 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.974 -3.220 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.723 -1.723 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.516 -0.575 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.768 -2.072 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.277 -0.648 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.198 -2.073 -13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.923 -0.623 -13.027 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.524 -4.604 -7.881 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.426 -5.568 -7.876 1.00 0.00 C ATOM 1709 C ASP A 103 -1.386 -6.303 -6.538 1.00 0.00 C ATOM 1710 O ASP A 103 -1.186 -7.516 -6.502 1.00 0.00 O ATOM 1711 CB ASP A 103 -0.085 -4.885 -8.144 1.00 0.00 C ATOM 1712 CG ASP A 103 0.983 -5.873 -8.590 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.416 -6.702 -7.775 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.379 -5.827 -9.779 1.00 0.00 O ATOM 0 H ASP A 103 -2.239 -3.626 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.601 -6.286 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.215 -4.122 -8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.248 -4.375 -7.240 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.578 -5.576 -5.433 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.658 -6.203 -4.108 1.00 0.00 C ATOM 1721 C LEU A 104 -2.780 -7.245 -4.061 1.00 0.00 C ATOM 1722 O LEU A 104 -2.605 -8.336 -3.522 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.901 -5.138 -3.027 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.811 -4.074 -2.872 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -1.220 -3.040 -1.835 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.514 -4.715 -2.490 1.00 0.00 C ATOM 0 H LEU A 104 -1.680 -4.561 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.708 -6.703 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.843 -4.635 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.026 -5.643 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.685 -3.571 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.434 -2.291 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.145 -2.556 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.375 -3.530 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.275 -3.942 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.402 -5.245 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.816 -5.418 -3.267 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.944 -6.889 -4.601 1.00 0.00 N ATOM 1739 CA LYS A 105 -5.078 -7.815 -4.667 1.00 0.00 C ATOM 1740 C LYS A 105 -4.740 -9.047 -5.510 1.00 0.00 C ATOM 1741 O LYS A 105 -5.243 -10.148 -5.260 1.00 0.00 O ATOM 1742 CB LYS A 105 -6.317 -7.102 -5.208 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.899 -6.094 -4.232 1.00 0.00 C ATOM 1744 CD LYS A 105 -8.093 -5.363 -4.817 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.766 -4.482 -3.773 1.00 0.00 C ATOM 1746 NZ LYS A 105 -9.327 -5.280 -2.648 1.00 0.00 N ATOM 0 H LYS A 105 -4.129 -5.968 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.294 -8.160 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.059 -6.592 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.078 -7.843 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.199 -6.606 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.131 -5.372 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.771 -4.751 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.811 -6.086 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.044 -3.765 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.564 -3.907 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.023 -4.707 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.790 -6.132 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.560 -5.559 -2.004 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.882 -8.859 -6.489 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.428 -9.946 -7.332 1.00 0.00 C ATOM 1762 C GLU A 106 -2.555 -10.909 -6.515 1.00 0.00 C ATOM 1763 O GLU A 106 -2.693 -12.134 -6.608 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.629 -9.375 -8.504 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.093 -10.408 -9.473 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.179 -11.071 -10.271 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -3.953 -10.355 -10.936 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -3.248 -12.312 -10.268 1.00 0.00 O ATOM 0 H GLU A 106 -3.480 -7.951 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.288 -10.495 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.263 -8.678 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.792 -8.800 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.387 -9.931 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.539 -11.167 -8.920 1.00 0.00 H new ATOM 1775 N THR A 107 -1.679 -10.340 -5.703 1.00 0.00 N ATOM 1776 CA THR A 107 -0.775 -11.122 -4.885 1.00 0.00 C ATOM 1777 C THR A 107 -1.502 -11.856 -3.760 1.00 0.00 C ATOM 1778 O THR A 107 -1.280 -13.057 -3.566 1.00 0.00 O ATOM 1779 CB THR A 107 0.365 -10.265 -4.312 1.00 0.00 C ATOM 1780 OG1 THR A 107 0.008 -8.879 -4.354 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.640 -10.485 -5.095 1.00 0.00 C ATOM 0 H THR A 107 -1.577 -9.331 -5.595 1.00 0.00 H new ATOM 0 HA THR A 107 -0.340 -11.871 -5.546 1.00 0.00 H new ATOM 0 HB THR A 107 0.531 -10.563 -3.277 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.868 -8.754 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.436 -9.870 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.925 -11.536 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.479 -10.208 -6.137 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.352 -11.147 -3.006 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.131 -11.777 -1.936 1.00 0.00 C ATOM 1791 C GLU A 108 -3.923 -12.977 -2.460 1.00 0.00 C ATOM 1792 O GLU A 108 -3.983 -14.023 -1.808 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.051 -10.757 -1.228 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.068 -10.077 -2.129 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.498 -10.504 -1.852 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.924 -11.555 -2.367 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.211 -9.769 -1.133 1.00 0.00 O ATOM 0 H GLU A 108 -2.516 -10.146 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.426 -12.147 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.583 -11.267 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.430 -9.991 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.988 -8.997 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.826 -10.297 -3.169 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.514 -12.831 -3.645 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.242 -13.928 -4.260 1.00 0.00 C ATOM 1806 C GLN A 109 -4.308 -15.101 -4.564 1.00 0.00 C ATOM 1807 O GLN A 109 -4.675 -16.254 -4.389 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.949 -13.477 -5.530 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.872 -14.538 -6.111 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.533 -14.101 -7.397 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -7.773 -12.913 -7.612 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.844 -15.054 -8.251 1.00 0.00 N ATOM 0 H GLN A 109 -4.501 -11.969 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.997 -14.260 -3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.528 -12.579 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.203 -13.205 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.301 -15.449 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.641 -14.784 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.626 -16.026 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.302 -14.820 -9.132 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.101 -14.791 -5.007 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.121 -15.816 -5.352 1.00 0.00 C ATOM 1823 C LYS A 110 -1.629 -16.604 -4.131 1.00 0.00 C ATOM 1824 O LYS A 110 -1.560 -17.838 -4.159 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.953 -15.201 -6.122 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.237 -15.046 -7.604 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.214 -14.167 -8.293 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.246 -14.371 -9.802 1.00 0.00 C ATOM 1829 NZ LYS A 110 -1.632 -14.370 -10.350 1.00 0.00 N ATOM 0 H LYS A 110 -2.772 -13.834 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.625 -16.537 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.720 -14.224 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.069 -15.825 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.246 -16.029 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.231 -14.619 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.412 -13.121 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.782 -14.395 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.332 -13.583 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.237 -15.317 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.596 -14.273 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.104 -15.263 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.164 -13.573 -9.946 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.300 -15.894 -3.060 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.819 -16.548 -1.850 1.00 0.00 C ATOM 1845 C VAL A 111 -1.909 -17.438 -1.238 1.00 0.00 C ATOM 1846 O VAL A 111 -1.634 -18.549 -0.788 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.269 -15.529 -0.796 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.305 -14.488 -0.429 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.227 -16.244 0.447 1.00 0.00 C ATOM 0 H VAL A 111 -1.356 -14.877 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 111 0.019 -17.180 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 111 0.573 -15.013 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.885 -13.800 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.596 -13.934 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.181 -14.980 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.603 -15.512 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.594 -16.803 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.028 -16.932 0.176 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.147 -16.951 -1.243 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.275 -17.730 -0.737 1.00 0.00 C ATOM 1861 C LYS A 112 -4.632 -18.852 -1.720 1.00 0.00 C ATOM 1862 O LYS A 112 -5.306 -19.822 -1.363 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.485 -16.816 -0.492 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.201 -16.368 -1.760 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.014 -15.097 -1.541 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.034 -15.254 -0.432 1.00 0.00 C ATOM 1867 NZ LYS A 112 -9.019 -16.324 -0.721 1.00 0.00 N ATOM 0 H LYS A 112 -3.395 -16.024 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.990 -18.185 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.196 -17.339 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.154 -15.933 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.468 -16.198 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.860 -17.165 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.341 -14.274 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.524 -14.830 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.520 -15.479 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.559 -14.310 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.754 -16.327 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.457 -16.151 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.537 -17.246 -0.732 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.176 -18.696 -2.959 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.396 -19.685 -4.013 1.00 0.00 C ATOM 1883 C ASP A 113 -3.559 -20.927 -3.769 1.00 0.00 C ATOM 1884 O ASP A 113 -3.980 -22.041 -4.085 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.061 -19.093 -5.391 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.115 -20.110 -6.513 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.223 -20.394 -7.012 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.041 -20.612 -6.922 1.00 0.00 O ATOM 0 H ASP A 113 -3.643 -17.881 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.450 -19.964 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.758 -18.284 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.064 -18.654 -5.357 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.380 -20.743 -3.182 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.500 -21.863 -2.902 1.00 0.00 C ATOM 1895 C ILE A 114 -2.038 -22.711 -1.729 1.00 0.00 C ATOM 1896 O ILE A 114 -2.288 -22.212 -0.621 1.00 0.00 O ATOM 1897 CB ILE A 114 -0.021 -21.389 -2.634 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.851 -21.577 -3.880 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.610 -22.108 -1.459 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.403 -20.782 -5.080 1.00 0.00 C ATOM 0 H ILE A 114 -2.018 -19.834 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.480 -22.494 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.077 -20.328 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.876 -21.298 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.863 -22.634 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.628 -21.746 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.026 -21.916 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.630 -23.180 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.076 -20.975 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.610 -21.077 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.419 -19.719 -4.839 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.224 -23.995 -2.010 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.701 -24.951 -1.017 1.00 0.00 C ATOM 1914 C GLN A 115 -1.544 -25.384 -0.130 1.00 0.00 C ATOM 1915 O GLN A 115 -0.559 -25.931 -0.613 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.353 -26.169 -1.687 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.527 -26.790 -2.801 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.176 -28.027 -3.393 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.880 -28.771 -2.701 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.957 -28.252 -4.675 1.00 0.00 N ATOM 0 H GLN A 115 -2.049 -24.402 -2.929 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.462 -24.466 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.544 -26.927 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.321 -25.871 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.375 -26.052 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.542 -27.051 -2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.370 -27.614 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.375 -29.064 -5.129 1.00 0.00 H new ATOM 1929 N THR A 116 -1.644 -25.128 1.159 1.00 0.00 N ATOM 1930 CA THR A 116 -0.564 -25.456 2.063 1.00 0.00 C ATOM 1931 C THR A 116 -1.006 -26.385 3.191 1.00 0.00 C ATOM 1932 O THR A 116 -2.189 -26.713 3.312 1.00 0.00 O ATOM 1933 CB THR A 116 0.051 -24.183 2.652 1.00 0.00 C ATOM 1934 OG1 THR A 116 -0.986 -23.306 3.125 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.887 -23.470 1.612 1.00 0.00 C ATOM 0 H THR A 116 -2.456 -24.697 1.600 1.00 0.00 H new ATOM 0 HA THR A 116 0.185 -25.986 1.475 1.00 0.00 H new ATOM 0 HB THR A 116 0.692 -24.464 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.583 -22.496 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.317 -22.568 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.688 -24.128 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.259 -23.200 0.763 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.033 -26.771 4.024 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.246 -27.653 5.169 1.00 0.00 C ATOM 1945 C GLN A 117 -0.834 -28.999 4.727 1.00 0.00 C ATOM 1946 O GLN A 117 -2.071 -29.172 4.780 1.00 0.00 O ATOM 1947 CB GLN A 117 -1.138 -26.969 6.224 1.00 0.00 C ATOM 1948 CG GLN A 117 -1.262 -27.734 7.530 1.00 0.00 C ATOM 1949 CD GLN A 117 -2.165 -27.031 8.525 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -1.711 -26.205 9.327 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -3.440 -27.349 8.488 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.046 -29.878 4.318 1.00 0.00 O ATOM 0 H GLN A 117 0.937 -26.473 3.917 1.00 0.00 H new ATOM 0 HA GLN A 117 0.722 -27.854 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.737 -25.978 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.134 -26.827 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.654 -28.731 7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.272 -27.863 7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.775 -28.035 7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.094 -26.910 9.136 1.00 0.00 H new