USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 43 TYR OH : rot -139:sc= 0.651 USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -0.245 F(o=-1.7,f=0.41) USER MOD Set 2.1: A 73 THR OG1 : rot 40:sc= -2.7! USER MOD Set 2.2: A 77 ASN : amide:sc= -4.53! C(o=-7.2!,f=-9.5!) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -111:sc= 0.149 (180deg=-0.845) USER MOD Set 3.2: A 62 CYS SG : rot -34:sc= -0.617! USER MOD Set 4.1: A 56 MET CE :methyl -155:sc= -3.77 (180deg=-5.89!) USER MOD Set 4.2: A 64 MET CE :methyl -139:sc= -1.8 (180deg=-6.13!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 29 GLN : amide:sc= -0.593 K(o=-0.59,f=-2.2) USER MOD Single : A 31 HIS : no HD1:sc= -2.06! X(o=-2.1!,f=-2.1) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -81:sc= 1 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 55 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.64! C(o=-2.6!,f=-8.2!) USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= -0.033 (180deg=-0.307) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.693 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.333 13.687 22.811 1.00 0.00 N ATOM 266 CA VAL A 20 4.994 13.040 24.073 1.00 0.00 C ATOM 267 C VAL A 20 6.183 13.043 25.028 1.00 0.00 C ATOM 268 O VAL A 20 7.342 13.068 24.616 1.00 0.00 O ATOM 269 CB VAL A 20 4.531 11.587 23.853 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.278 11.552 22.991 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.644 10.763 23.225 1.00 0.00 C ATOM 0 HA VAL A 20 4.176 13.612 24.512 1.00 0.00 H new ATOM 0 HB VAL A 20 4.289 11.149 24.822 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.965 10.518 22.846 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.481 12.106 23.486 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.489 12.006 22.023 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.300 9.740 23.077 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.919 11.196 22.263 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.512 10.762 23.884 1.00 0.00 H new ATOM 281 N PRO A 21 5.890 13.016 26.337 1.00 0.00 N ATOM 282 CA PRO A 21 6.921 13.015 27.379 1.00 0.00 C ATOM 283 C PRO A 21 7.696 11.702 27.426 1.00 0.00 C ATOM 284 O PRO A 21 7.182 10.653 27.037 1.00 0.00 O ATOM 285 CB PRO A 21 6.122 13.210 28.670 1.00 0.00 C ATOM 286 CG PRO A 21 4.762 12.688 28.356 1.00 0.00 C ATOM 287 CD PRO A 21 4.530 12.986 26.901 1.00 0.00 C ATOM 0 HA PRO A 21 7.674 13.784 27.208 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.573 12.667 29.500 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.086 14.260 28.959 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.701 11.617 28.550 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.007 13.168 28.978 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.915 12.221 26.427 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.017 13.938 26.763 1.00 0.00 H new ATOM 295 N ALA A 22 8.934 11.767 27.904 1.00 0.00 N ATOM 296 CA ALA A 22 9.778 10.583 28.003 1.00 0.00 C ATOM 297 C ALA A 22 9.058 9.456 28.735 1.00 0.00 C ATOM 298 O ALA A 22 8.735 8.426 28.143 1.00 0.00 O ATOM 299 CB ALA A 22 11.083 10.923 28.708 1.00 0.00 C ATOM 0 H ALA A 22 9.375 12.628 28.229 1.00 0.00 H new ATOM 0 HA ALA A 22 10.002 10.241 26.993 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.704 10.030 28.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.612 11.691 28.144 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.869 11.292 29.711 1.00 0.00 H new ATOM 305 N ASP A 23 8.810 9.657 30.024 1.00 0.00 N ATOM 306 CA ASP A 23 8.127 8.657 30.837 1.00 0.00 C ATOM 307 C ASP A 23 6.828 8.212 30.173 1.00 0.00 C ATOM 308 O ASP A 23 5.852 8.958 30.100 1.00 0.00 O ATOM 309 CB ASP A 23 7.837 9.214 32.232 1.00 0.00 C ATOM 310 CG ASP A 23 8.671 8.547 33.307 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.783 8.076 32.989 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.213 8.497 34.468 1.00 0.00 O ATOM 0 H ASP A 23 9.072 10.504 30.529 1.00 0.00 H new ATOM 0 HA ASP A 23 8.782 7.791 30.929 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.031 10.287 32.239 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.780 9.080 32.461 1.00 0.00 H new ATOM 317 N PRO A 24 6.815 6.966 29.675 1.00 0.00 N ATOM 318 CA PRO A 24 5.642 6.393 29.007 1.00 0.00 C ATOM 319 C PRO A 24 4.497 6.123 29.977 1.00 0.00 C ATOM 320 O PRO A 24 3.385 5.793 29.565 1.00 0.00 O ATOM 321 CB PRO A 24 6.172 5.080 28.426 1.00 0.00 C ATOM 322 CG PRO A 24 7.327 4.719 29.295 1.00 0.00 C ATOM 323 CD PRO A 24 7.943 6.021 29.726 1.00 0.00 C ATOM 0 HA PRO A 24 5.227 7.069 28.260 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.407 4.303 28.441 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.481 5.203 27.388 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.000 4.138 30.157 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.047 4.107 28.752 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.365 5.953 30.729 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.751 6.323 29.060 1.00 0.00 H new ATOM 331 N THR A 25 4.776 6.266 31.270 1.00 0.00 N ATOM 332 CA THR A 25 3.769 6.037 32.298 1.00 0.00 C ATOM 333 C THR A 25 2.883 7.263 32.483 1.00 0.00 C ATOM 334 O THR A 25 1.744 7.155 32.940 1.00 0.00 O ATOM 335 CB THR A 25 4.418 5.678 33.649 1.00 0.00 C ATOM 336 OG1 THR A 25 5.507 6.567 33.920 1.00 0.00 O ATOM 337 CG2 THR A 25 4.918 4.242 33.645 1.00 0.00 C ATOM 0 H THR A 25 5.691 6.539 31.629 1.00 0.00 H new ATOM 0 HA THR A 25 3.159 5.199 31.962 1.00 0.00 H new ATOM 0 HB THR A 25 3.663 5.780 34.428 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.913 6.334 34.781 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.372 4.012 34.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.082 3.566 33.467 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.659 4.117 32.856 1.00 0.00 H new ATOM 345 N LEU A 26 3.410 8.428 32.124 1.00 0.00 N ATOM 346 CA LEU A 26 2.665 9.676 32.249 1.00 0.00 C ATOM 347 C LEU A 26 1.819 9.932 31.006 1.00 0.00 C ATOM 348 O LEU A 26 1.096 10.926 30.929 1.00 0.00 O ATOM 349 CB LEU A 26 3.625 10.845 32.477 1.00 0.00 C ATOM 350 CG LEU A 26 4.612 10.687 33.635 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.691 11.757 33.566 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.882 10.748 34.969 1.00 0.00 C ATOM 0 H LEU A 26 4.350 8.535 31.744 1.00 0.00 H new ATOM 0 HA LEU A 26 1.999 9.589 33.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.193 11.006 31.561 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.035 11.745 32.649 1.00 0.00 H new ATOM 0 HG LEU A 26 5.091 9.711 33.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.384 11.629 34.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.233 11.667 32.625 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.230 12.743 33.626 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.599 10.634 35.782 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.376 11.709 35.063 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.147 9.945 35.018 1.00 0.00 H new ATOM 364 N TRP A 27 1.914 9.030 30.036 1.00 0.00 N ATOM 365 CA TRP A 27 1.156 9.158 28.797 1.00 0.00 C ATOM 366 C TRP A 27 -0.342 9.046 29.061 1.00 0.00 C ATOM 367 O TRP A 27 -0.805 8.082 29.672 1.00 0.00 O ATOM 368 CB TRP A 27 1.591 8.086 27.796 1.00 0.00 C ATOM 369 CG TRP A 27 2.903 8.387 27.137 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.628 9.540 27.242 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.645 7.522 26.271 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.776 9.443 26.493 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.810 8.215 25.888 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.440 6.229 25.783 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.763 7.657 25.040 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.387 5.676 24.941 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.537 6.389 24.577 1.00 0.00 C ATOM 0 H TRP A 27 2.508 8.202 30.083 1.00 0.00 H new ATOM 0 HA TRP A 27 1.359 10.143 28.376 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.662 7.127 28.309 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.823 7.981 27.030 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.341 10.401 27.827 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.488 10.168 26.402 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.557 5.671 26.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.649 8.205 24.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.238 4.678 24.557 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.259 5.929 23.918 1.00 0.00 H new ATOM 388 N THR A 28 -1.096 10.037 28.597 1.00 0.00 N ATOM 389 CA THR A 28 -2.542 10.050 28.784 1.00 0.00 C ATOM 390 C THR A 28 -3.225 9.051 27.858 1.00 0.00 C ATOM 391 O THR A 28 -2.570 8.394 27.048 1.00 0.00 O ATOM 392 CB THR A 28 -3.128 11.452 28.532 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.106 11.747 27.131 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.344 12.511 29.291 1.00 0.00 C ATOM 0 H THR A 28 -0.729 10.842 28.089 1.00 0.00 H new ATOM 0 HA THR A 28 -2.730 9.767 29.820 1.00 0.00 H new ATOM 0 HB THR A 28 -4.158 11.461 28.889 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.482 12.639 26.979 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.777 13.493 29.097 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.387 12.300 30.359 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.305 12.501 28.961 1.00 0.00 H new ATOM 402 N GLN A 29 -4.544 8.942 27.982 1.00 0.00 N ATOM 403 CA GLN A 29 -5.315 8.022 27.154 1.00 0.00 C ATOM 404 C GLN A 29 -5.161 8.360 25.675 1.00 0.00 C ATOM 405 O GLN A 29 -5.432 7.530 24.808 1.00 0.00 O ATOM 406 CB GLN A 29 -6.792 8.064 27.548 1.00 0.00 C ATOM 407 CG GLN A 29 -7.384 6.694 27.838 1.00 0.00 C ATOM 408 CD GLN A 29 -8.900 6.695 27.808 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.511 6.761 26.741 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.516 6.622 28.982 1.00 0.00 N ATOM 0 H GLN A 29 -5.101 9.479 28.647 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.931 7.016 27.319 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.906 8.694 28.430 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.360 8.534 26.745 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.010 5.979 27.105 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.044 6.355 28.817 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.970 6.569 29.842 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.535 6.619 29.024 1.00 0.00 H new ATOM 419 N GLU A 30 -4.724 9.584 25.396 1.00 0.00 N ATOM 420 CA GLU A 30 -4.536 10.032 24.021 1.00 0.00 C ATOM 421 C GLU A 30 -3.094 9.814 23.570 1.00 0.00 C ATOM 422 O GLU A 30 -2.843 9.358 22.454 1.00 0.00 O ATOM 423 CB GLU A 30 -4.905 11.511 23.887 1.00 0.00 C ATOM 424 CG GLU A 30 -4.555 12.106 22.534 1.00 0.00 C ATOM 425 CD GLU A 30 -5.471 13.250 22.144 1.00 0.00 C ATOM 426 OE1 GLU A 30 -5.629 14.185 22.957 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.029 13.211 21.028 1.00 0.00 O ATOM 0 H GLU A 30 -4.494 10.282 26.103 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.192 9.442 23.381 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.975 11.627 24.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.394 12.076 24.666 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.525 12.461 22.553 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.609 11.327 21.774 1.00 0.00 H new ATOM 434 N HIS A 31 -2.150 10.144 24.447 1.00 0.00 N ATOM 435 CA HIS A 31 -0.733 9.984 24.140 1.00 0.00 C ATOM 436 C HIS A 31 -0.440 8.571 23.645 1.00 0.00 C ATOM 437 O HIS A 31 0.171 8.385 22.592 1.00 0.00 O ATOM 438 CB HIS A 31 0.115 10.291 25.375 1.00 0.00 C ATOM 439 CG HIS A 31 0.426 11.747 25.541 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.757 12.311 26.755 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.457 12.754 24.638 1.00 0.00 C ATOM 442 CE1 HIS A 31 0.977 13.604 26.591 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.801 13.898 25.316 1.00 0.00 N ATOM 0 H HIS A 31 -2.341 10.523 25.374 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.476 10.687 23.348 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.409 9.936 26.263 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.049 9.733 25.312 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.250 12.673 23.581 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.254 14.301 27.368 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.904 14.824 24.902 1.00 0.00 H new ATOM 451 N VAL A 32 -0.879 7.578 24.412 1.00 0.00 N ATOM 452 CA VAL A 32 -0.664 6.182 24.051 1.00 0.00 C ATOM 453 C VAL A 32 -1.116 5.907 22.621 1.00 0.00 C ATOM 454 O VAL A 32 -0.569 5.039 21.942 1.00 0.00 O ATOM 455 CB VAL A 32 -1.413 5.233 25.006 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.346 3.801 24.497 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.844 5.336 26.413 1.00 0.00 C ATOM 0 H VAL A 32 -1.385 7.714 25.287 1.00 0.00 H new ATOM 0 HA VAL A 32 0.407 5.996 24.132 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.461 5.532 25.040 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.880 3.145 25.184 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.805 3.744 23.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.304 3.487 24.431 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.385 4.659 27.075 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.211 5.064 26.399 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.951 6.359 26.775 1.00 0.00 H new ATOM 467 N ARG A 33 -2.118 6.655 22.170 1.00 0.00 N ATOM 468 CA ARG A 33 -2.645 6.492 20.820 1.00 0.00 C ATOM 469 C ARG A 33 -1.723 7.143 19.794 1.00 0.00 C ATOM 470 O ARG A 33 -1.314 6.508 18.823 1.00 0.00 O ATOM 471 CB ARG A 33 -4.046 7.098 20.720 1.00 0.00 C ATOM 472 CG ARG A 33 -5.010 6.582 21.776 1.00 0.00 C ATOM 473 CD ARG A 33 -6.410 7.142 21.573 1.00 0.00 C ATOM 474 NE ARG A 33 -6.394 8.583 21.337 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.445 9.267 20.898 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.588 8.644 20.648 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.353 10.577 20.708 1.00 0.00 N ATOM 0 H ARG A 33 -2.581 7.379 22.719 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.702 5.425 20.606 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.971 8.182 20.807 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.455 6.886 19.732 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.043 5.493 21.739 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.647 6.856 22.767 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.882 6.641 20.727 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.018 6.925 22.451 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.529 9.092 21.519 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.662 7.637 20.793 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.393 9.172 20.311 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.475 11.060 20.899 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.160 11.101 20.371 1.00 0.00 H new ATOM 491 N GLN A 34 -1.400 8.413 20.018 1.00 0.00 N ATOM 492 CA GLN A 34 -0.527 9.150 19.112 1.00 0.00 C ATOM 493 C GLN A 34 0.780 8.398 18.884 1.00 0.00 C ATOM 494 O GLN A 34 1.222 8.233 17.747 1.00 0.00 O ATOM 495 CB GLN A 34 -0.237 10.544 19.670 1.00 0.00 C ATOM 496 CG GLN A 34 -1.302 11.571 19.326 1.00 0.00 C ATOM 497 CD GLN A 34 -1.060 12.910 19.995 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.356 12.996 21.001 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.643 13.965 19.437 1.00 0.00 N ATOM 0 H GLN A 34 -1.730 8.952 20.818 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.039 9.250 18.155 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.143 10.480 20.754 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.724 10.887 19.286 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.332 11.709 18.245 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.278 11.191 19.626 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.219 13.848 18.603 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.515 14.892 19.842 1.00 0.00 H new ATOM 508 N TRP A 35 1.393 7.944 19.971 1.00 0.00 N ATOM 509 CA TRP A 35 2.651 7.210 19.889 1.00 0.00 C ATOM 510 C TRP A 35 2.511 5.991 18.984 1.00 0.00 C ATOM 511 O TRP A 35 3.415 5.672 18.212 1.00 0.00 O ATOM 512 CB TRP A 35 3.103 6.776 21.284 1.00 0.00 C ATOM 513 CG TRP A 35 4.265 5.829 21.264 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.562 6.130 20.959 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.234 4.429 21.559 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.339 5.000 21.047 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.548 3.943 21.414 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.225 3.538 21.933 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.876 2.607 21.629 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.552 2.212 22.147 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.868 1.757 21.995 1.00 0.00 C ATOM 0 H TRP A 35 1.040 8.071 20.919 1.00 0.00 H new ATOM 0 HA TRP A 35 3.403 7.873 19.461 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.374 7.660 21.862 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.267 6.303 21.798 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.923 7.111 20.689 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.342 4.955 20.868 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.207 3.879 22.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.890 2.254 21.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.780 1.515 22.436 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.091 0.715 22.170 1.00 0.00 H new ATOM 532 N LEU A 36 1.373 5.312 19.085 1.00 0.00 N ATOM 533 CA LEU A 36 1.115 4.127 18.275 1.00 0.00 C ATOM 534 C LEU A 36 1.149 4.466 16.788 1.00 0.00 C ATOM 535 O LEU A 36 1.974 3.941 16.041 1.00 0.00 O ATOM 536 CB LEU A 36 -0.240 3.520 18.640 1.00 0.00 C ATOM 537 CG LEU A 36 -0.263 2.005 18.850 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.690 1.606 19.965 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.676 1.531 19.157 1.00 0.00 C ATOM 0 H LEU A 36 0.615 5.562 19.720 1.00 0.00 H new ATOM 0 HA LEU A 36 1.899 3.399 18.481 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.596 3.998 19.552 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.951 3.768 17.852 1.00 0.00 H new ATOM 0 HG LEU A 36 0.068 1.524 17.929 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.660 0.525 20.100 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.703 1.911 19.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.391 2.096 20.892 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.674 0.451 19.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.035 2.019 20.063 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.333 1.783 18.325 1.00 0.00 H new ATOM 551 N GLU A 37 0.248 5.347 16.366 1.00 0.00 N ATOM 552 CA GLU A 37 0.176 5.757 14.969 1.00 0.00 C ATOM 553 C GLU A 37 1.531 6.260 14.479 1.00 0.00 C ATOM 554 O GLU A 37 1.841 6.183 13.290 1.00 0.00 O ATOM 555 CB GLU A 37 -0.881 6.848 14.787 1.00 0.00 C ATOM 556 CG GLU A 37 -2.246 6.470 15.337 1.00 0.00 C ATOM 557 CD GLU A 37 -3.368 7.291 14.731 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.259 8.535 14.735 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.353 6.691 14.254 1.00 0.00 O ATOM 0 H GLU A 37 -0.442 5.791 16.972 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.106 4.887 14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.540 7.759 15.279 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.977 7.076 13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.430 5.413 15.146 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.247 6.603 16.419 1.00 0.00 H new ATOM 566 N TRP A 38 2.333 6.776 15.404 1.00 0.00 N ATOM 567 CA TRP A 38 3.654 7.294 15.067 1.00 0.00 C ATOM 568 C TRP A 38 4.620 6.156 14.752 1.00 0.00 C ATOM 569 O TRP A 38 5.136 6.059 13.639 1.00 0.00 O ATOM 570 CB TRP A 38 4.202 8.140 16.217 1.00 0.00 C ATOM 571 CG TRP A 38 5.657 8.468 16.073 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.228 9.263 15.121 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.726 8.006 16.907 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.587 9.325 15.312 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.918 8.563 16.402 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.793 7.180 18.031 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.159 8.317 16.983 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.025 6.936 18.607 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.194 7.503 18.083 1.00 0.00 C ATOM 0 H TRP A 38 2.092 6.847 16.393 1.00 0.00 H new ATOM 0 HA TRP A 38 3.556 7.920 14.180 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.632 9.067 16.280 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.048 7.607 17.156 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.690 9.769 14.333 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.243 9.852 14.736 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.897 6.739 18.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.062 8.753 16.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.088 6.297 19.476 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.142 7.294 18.556 1.00 0.00 H new ATOM 590 N ALA A 39 4.859 5.299 15.738 1.00 0.00 N ATOM 591 CA ALA A 39 5.761 4.167 15.564 1.00 0.00 C ATOM 592 C ALA A 39 5.398 3.361 14.321 1.00 0.00 C ATOM 593 O ALA A 39 6.264 2.763 13.683 1.00 0.00 O ATOM 594 CB ALA A 39 5.736 3.277 16.798 1.00 0.00 C ATOM 0 H ALA A 39 4.441 5.367 16.666 1.00 0.00 H new ATOM 0 HA ALA A 39 6.770 4.556 15.431 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.414 2.436 16.654 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.052 3.853 17.668 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.724 2.904 16.957 1.00 0.00 H new ATOM 600 N ILE A 40 4.113 3.350 13.984 1.00 0.00 N ATOM 601 CA ILE A 40 3.636 2.618 12.817 1.00 0.00 C ATOM 602 C ILE A 40 4.101 3.281 11.525 1.00 0.00 C ATOM 603 O ILE A 40 4.615 2.618 10.624 1.00 0.00 O ATOM 604 CB ILE A 40 2.099 2.517 12.805 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.605 1.780 14.052 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.625 1.812 11.544 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.211 2.182 14.478 1.00 0.00 C ATOM 0 H ILE A 40 3.384 3.840 14.502 1.00 0.00 H new ATOM 0 HA ILE A 40 4.057 1.615 12.880 1.00 0.00 H new ATOM 0 HB ILE A 40 1.683 3.524 12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.623 0.707 13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.296 1.969 14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.537 1.748 11.550 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.951 2.374 10.669 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.047 0.808 11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.074 1.620 15.368 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.192 3.249 14.701 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.492 1.967 13.673 1.00 0.00 H new ATOM 619 N LYS A 41 3.917 4.594 11.441 1.00 0.00 N ATOM 620 CA LYS A 41 4.320 5.350 10.260 1.00 0.00 C ATOM 621 C LYS A 41 5.835 5.519 10.214 1.00 0.00 C ATOM 622 O LYS A 41 6.404 5.806 9.161 1.00 0.00 O ATOM 623 CB LYS A 41 3.642 6.722 10.252 1.00 0.00 C ATOM 624 CG LYS A 41 4.063 7.615 11.406 1.00 0.00 C ATOM 625 CD LYS A 41 3.568 9.039 11.217 1.00 0.00 C ATOM 626 CE LYS A 41 4.329 9.752 10.109 1.00 0.00 C ATOM 627 NZ LYS A 41 3.412 10.459 9.173 1.00 0.00 N ATOM 0 H LYS A 41 3.491 5.158 12.177 1.00 0.00 H new ATOM 0 HA LYS A 41 4.007 4.792 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.870 7.225 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.561 6.584 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.671 7.213 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.150 7.615 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.504 9.027 10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.680 9.591 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.023 10.469 10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.926 9.028 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.969 10.932 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.766 9.772 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.860 11.168 9.697 1.00 0.00 H new ATOM 641 N GLU A 42 6.482 5.338 11.361 1.00 0.00 N ATOM 642 CA GLU A 42 7.931 5.471 11.448 1.00 0.00 C ATOM 643 C GLU A 42 8.620 4.154 11.102 1.00 0.00 C ATOM 644 O GLU A 42 9.471 4.101 10.214 1.00 0.00 O ATOM 645 CB GLU A 42 8.341 5.919 12.853 1.00 0.00 C ATOM 646 CG GLU A 42 9.844 6.018 13.047 1.00 0.00 C ATOM 647 CD GLU A 42 10.300 7.427 13.369 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.671 8.383 12.867 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.285 7.576 14.122 1.00 0.00 O ATOM 0 H GLU A 42 6.026 5.099 12.242 1.00 0.00 H new ATOM 0 HA GLU A 42 8.245 6.226 10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.892 6.890 13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.935 5.217 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.147 5.349 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.346 5.676 12.142 1.00 0.00 H new ATOM 656 N TYR A 43 8.247 3.094 11.810 1.00 0.00 N ATOM 657 CA TYR A 43 8.830 1.777 11.580 1.00 0.00 C ATOM 658 C TYR A 43 8.053 1.016 10.510 1.00 0.00 C ATOM 659 O TYR A 43 8.296 -0.167 10.274 1.00 0.00 O ATOM 660 CB TYR A 43 8.851 0.972 12.881 1.00 0.00 C ATOM 661 CG TYR A 43 9.417 1.735 14.057 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.602 2.452 13.939 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.769 1.739 15.285 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.124 3.151 15.010 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.283 2.435 16.362 1.00 0.00 C ATOM 666 CZ TYR A 43 10.460 3.140 16.219 1.00 0.00 C ATOM 667 OH TYR A 43 10.976 3.834 17.290 1.00 0.00 O ATOM 0 H TYR A 43 7.544 3.121 12.548 1.00 0.00 H new ATOM 0 HA TYR A 43 9.853 1.916 11.230 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.835 0.656 13.119 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.439 0.067 12.729 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.124 2.463 12.993 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.847 1.188 15.400 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.046 3.703 14.901 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.766 2.427 17.310 1.00 0.00 H new ATOM 0 HH TYR A 43 10.880 3.297 18.104 1.00 0.00 H new ATOM 677 N SER A 44 7.117 1.705 9.866 1.00 0.00 N ATOM 678 CA SER A 44 6.301 1.095 8.822 1.00 0.00 C ATOM 679 C SER A 44 5.666 -0.201 9.318 1.00 0.00 C ATOM 680 O SER A 44 5.856 -1.265 8.727 1.00 0.00 O ATOM 681 CB SER A 44 7.148 0.818 7.579 1.00 0.00 C ATOM 682 OG SER A 44 6.364 0.890 6.401 1.00 0.00 O ATOM 0 H SER A 44 6.904 2.686 10.048 1.00 0.00 H new ATOM 0 HA SER A 44 5.506 1.793 8.562 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.963 1.540 7.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.602 -0.170 7.657 1.00 0.00 H new ATOM 0 HG SER A 44 6.929 0.711 5.621 1.00 0.00 H new ATOM 688 N LEU A 45 4.910 -0.104 10.406 1.00 0.00 N ATOM 689 CA LEU A 45 4.246 -1.267 10.983 1.00 0.00 C ATOM 690 C LEU A 45 2.890 -1.502 10.325 1.00 0.00 C ATOM 691 O LEU A 45 2.247 -0.564 9.854 1.00 0.00 O ATOM 692 CB LEU A 45 4.069 -1.083 12.491 1.00 0.00 C ATOM 693 CG LEU A 45 5.322 -0.680 13.269 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.029 -0.625 14.761 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.461 -1.648 12.983 1.00 0.00 C ATOM 0 H LEU A 45 4.742 0.769 10.906 1.00 0.00 H new ATOM 0 HA LEU A 45 4.874 -2.140 10.801 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.303 -0.325 12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.690 -2.016 12.909 1.00 0.00 H new ATOM 0 HG LEU A 45 5.626 0.314 12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.932 -0.337 15.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.244 0.107 14.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.700 -1.606 15.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.345 -1.346 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.167 -2.654 13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.688 -1.638 11.917 1.00 0.00 H new ATOM 707 N MET A 46 2.460 -2.759 10.299 1.00 0.00 N ATOM 708 CA MET A 46 1.178 -3.116 9.702 1.00 0.00 C ATOM 709 C MET A 46 0.514 -4.250 10.477 1.00 0.00 C ATOM 710 O MET A 46 1.157 -4.920 11.284 1.00 0.00 O ATOM 711 CB MET A 46 1.368 -3.525 8.240 1.00 0.00 C ATOM 712 CG MET A 46 2.079 -2.473 7.402 1.00 0.00 C ATOM 713 SD MET A 46 1.626 -2.552 5.659 1.00 0.00 S ATOM 714 CE MET A 46 3.054 -1.779 4.903 1.00 0.00 C ATOM 0 H MET A 46 2.980 -3.547 10.684 1.00 0.00 H new ATOM 0 HA MET A 46 0.529 -2.241 9.746 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.937 -4.454 8.202 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.393 -3.731 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.841 -1.483 7.791 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.157 -2.604 7.500 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.924 -1.753 3.821 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.159 -0.762 5.280 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.949 -2.351 5.147 1.00 0.00 H new ATOM 724 N GLU A 47 -0.774 -4.458 10.225 1.00 0.00 N ATOM 725 CA GLU A 47 -1.524 -5.510 10.901 1.00 0.00 C ATOM 726 C GLU A 47 -1.591 -5.251 12.403 1.00 0.00 C ATOM 727 O GLU A 47 -1.624 -6.186 13.204 1.00 0.00 O ATOM 728 CB GLU A 47 -0.883 -6.874 10.636 1.00 0.00 C ATOM 729 CG GLU A 47 -0.524 -7.105 9.177 1.00 0.00 C ATOM 730 CD GLU A 47 -0.894 -8.496 8.699 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.734 -9.454 9.483 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.344 -8.625 7.541 1.00 0.00 O ATOM 0 H GLU A 47 -1.320 -3.912 9.558 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.539 -5.510 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.018 -6.966 11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.568 -7.657 10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.034 -6.365 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.546 -6.951 9.041 1.00 0.00 H new ATOM 739 N ILE A 48 -1.611 -3.976 12.777 1.00 0.00 N ATOM 740 CA ILE A 48 -1.675 -3.594 14.182 1.00 0.00 C ATOM 741 C ILE A 48 -3.055 -3.055 14.543 1.00 0.00 C ATOM 742 O ILE A 48 -3.636 -2.260 13.802 1.00 0.00 O ATOM 743 CB ILE A 48 -0.615 -2.531 14.525 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.541 -2.322 16.039 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.932 -1.220 13.820 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.825 -1.892 16.524 1.00 0.00 C ATOM 0 H ILE A 48 -1.584 -3.191 12.127 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.476 -4.494 14.763 1.00 0.00 H new ATOM 0 HB ILE A 48 0.356 -2.883 14.178 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.274 -1.570 16.330 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.820 -3.249 16.540 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.174 -0.479 14.072 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.939 -1.379 12.742 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.910 -0.862 14.140 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.803 -1.763 17.606 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.560 -2.654 16.264 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.098 -0.949 16.052 1.00 0.00 H new ATOM 758 N ASP A 49 -3.575 -3.491 15.685 1.00 0.00 N ATOM 759 CA ASP A 49 -4.886 -3.050 16.146 1.00 0.00 C ATOM 760 C ASP A 49 -4.758 -1.858 17.090 1.00 0.00 C ATOM 761 O ASP A 49 -4.700 -2.021 18.310 1.00 0.00 O ATOM 762 CB ASP A 49 -5.615 -4.196 16.848 1.00 0.00 C ATOM 763 CG ASP A 49 -7.078 -3.886 17.096 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.445 -2.693 17.066 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.857 -4.837 17.320 1.00 0.00 O ATOM 0 H ASP A 49 -3.108 -4.150 16.309 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.465 -2.740 15.276 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.536 -5.099 16.242 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.125 -4.406 17.799 1.00 0.00 H new ATOM 770 N THR A 50 -4.712 -0.659 16.519 1.00 0.00 N ATOM 771 CA THR A 50 -4.588 0.560 17.308 1.00 0.00 C ATOM 772 C THR A 50 -5.787 0.741 18.231 1.00 0.00 C ATOM 773 O THR A 50 -5.688 1.388 19.274 1.00 0.00 O ATOM 774 CB THR A 50 -4.456 1.802 16.407 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.612 1.927 15.572 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.207 1.713 15.543 1.00 0.00 C ATOM 0 H THR A 50 -4.759 -0.506 15.512 1.00 0.00 H new ATOM 0 HA THR A 50 -3.683 0.458 17.907 1.00 0.00 H new ATOM 0 HB THR A 50 -4.374 2.681 17.047 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.521 2.720 15.004 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.135 2.601 14.915 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.326 1.648 16.182 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.264 0.826 14.912 1.00 0.00 H new ATOM 784 N SER A 51 -6.921 0.167 17.841 1.00 0.00 N ATOM 785 CA SER A 51 -8.141 0.268 18.633 1.00 0.00 C ATOM 786 C SER A 51 -7.929 -0.299 20.033 1.00 0.00 C ATOM 787 O SER A 51 -8.486 0.203 21.010 1.00 0.00 O ATOM 788 CB SER A 51 -9.287 -0.471 17.939 1.00 0.00 C ATOM 789 OG SER A 51 -9.518 -1.733 18.541 1.00 0.00 O ATOM 0 H SER A 51 -7.020 -0.373 16.981 1.00 0.00 H new ATOM 0 HA SER A 51 -8.400 1.323 18.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.195 0.131 17.988 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.051 -0.606 16.883 1.00 0.00 H new ATOM 0 HG SER A 51 -8.874 -2.384 18.193 1.00 0.00 H new ATOM 795 N PHE A 52 -7.119 -1.349 20.123 1.00 0.00 N ATOM 796 CA PHE A 52 -6.833 -1.986 21.403 1.00 0.00 C ATOM 797 C PHE A 52 -6.294 -0.972 22.407 1.00 0.00 C ATOM 798 O PHE A 52 -6.433 -1.146 23.618 1.00 0.00 O ATOM 799 CB PHE A 52 -5.824 -3.122 21.217 1.00 0.00 C ATOM 800 CG PHE A 52 -5.994 -4.241 22.204 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.352 -4.203 23.432 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.794 -5.332 21.905 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.505 -5.231 24.342 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.952 -6.363 22.811 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.306 -6.313 24.031 1.00 0.00 C ATOM 0 H PHE A 52 -6.649 -1.776 19.325 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.765 -2.396 21.792 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.920 -3.521 20.207 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.815 -2.719 21.306 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.725 -3.360 23.680 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.300 -5.377 20.952 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.999 -5.189 25.295 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.580 -7.207 22.566 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.427 -7.118 24.740 1.00 0.00 H new ATOM 815 N PHE A 53 -5.677 0.088 21.895 1.00 0.00 N ATOM 816 CA PHE A 53 -5.115 1.131 22.746 1.00 0.00 C ATOM 817 C PHE A 53 -5.883 2.439 22.583 1.00 0.00 C ATOM 818 O PHE A 53 -5.349 3.519 22.835 1.00 0.00 O ATOM 819 CB PHE A 53 -3.637 1.349 22.413 1.00 0.00 C ATOM 820 CG PHE A 53 -2.845 0.075 22.338 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.821 -0.673 21.173 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.125 -0.374 23.434 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.093 -1.846 21.100 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.395 -1.546 23.367 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.380 -2.283 22.199 1.00 0.00 C ATOM 0 H PHE A 53 -5.553 0.247 20.895 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.203 0.806 23.783 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.561 1.871 21.459 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.195 1.998 23.168 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.378 -0.336 20.311 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.134 0.198 24.350 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.082 -2.420 20.185 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.837 -1.885 24.227 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.812 -3.200 22.145 1.00 0.00 H new ATOM 835 N GLN A 54 -7.139 2.332 22.160 1.00 0.00 N ATOM 836 CA GLN A 54 -7.980 3.506 21.962 1.00 0.00 C ATOM 837 C GLN A 54 -8.218 4.234 23.281 1.00 0.00 C ATOM 838 O GLN A 54 -8.513 5.429 23.298 1.00 0.00 O ATOM 839 CB GLN A 54 -9.318 3.102 21.341 1.00 0.00 C ATOM 840 CG GLN A 54 -10.174 2.235 22.250 1.00 0.00 C ATOM 841 CD GLN A 54 -11.505 2.878 22.586 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.571 3.820 23.377 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.576 2.372 21.986 1.00 0.00 N ATOM 0 H GLN A 54 -7.596 1.445 21.948 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.461 4.183 21.283 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.875 4.002 21.081 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.130 2.564 20.412 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.351 1.274 21.768 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.629 2.034 23.172 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.476 1.591 21.337 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.499 2.764 22.174 1.00 0.00 H new ATOM 852 N ASN A 55 -8.087 3.506 24.385 1.00 0.00 N ATOM 853 CA ASN A 55 -8.289 4.083 25.710 1.00 0.00 C ATOM 854 C ASN A 55 -7.318 3.478 26.720 1.00 0.00 C ATOM 855 O ASN A 55 -7.596 3.443 27.918 1.00 0.00 O ATOM 856 CB ASN A 55 -9.730 3.859 26.173 1.00 0.00 C ATOM 857 CG ASN A 55 -10.190 2.430 25.958 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.375 1.519 25.809 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.503 2.227 25.940 1.00 0.00 N ATOM 0 H ASN A 55 -7.842 2.516 24.389 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.098 5.154 25.646 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.812 4.109 27.231 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.392 4.536 25.633 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.872 1.287 25.799 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.142 3.012 26.068 1.00 0.00 H new ATOM 866 N MET A 56 -6.179 3.004 26.227 1.00 0.00 N ATOM 867 CA MET A 56 -5.166 2.403 27.087 1.00 0.00 C ATOM 868 C MET A 56 -4.204 3.461 27.616 1.00 0.00 C ATOM 869 O MET A 56 -3.299 3.901 26.906 1.00 0.00 O ATOM 870 CB MET A 56 -4.391 1.328 26.323 1.00 0.00 C ATOM 871 CG MET A 56 -3.317 0.646 27.155 1.00 0.00 C ATOM 872 SD MET A 56 -3.692 -1.085 27.490 1.00 0.00 S ATOM 873 CE MET A 56 -3.760 -1.745 25.826 1.00 0.00 C ATOM 0 H MET A 56 -5.934 3.024 25.237 1.00 0.00 H new ATOM 0 HA MET A 56 -5.672 1.942 27.935 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.091 0.575 25.961 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.927 1.780 25.446 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.362 0.712 26.633 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.202 1.178 28.099 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.389 -2.635 25.813 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.178 -0.995 25.154 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.754 -2.007 25.497 1.00 0.00 H new ATOM 883 N ASP A 57 -4.405 3.866 28.865 1.00 0.00 N ATOM 884 CA ASP A 57 -3.554 4.872 29.489 1.00 0.00 C ATOM 885 C ASP A 57 -2.100 4.412 29.520 1.00 0.00 C ATOM 886 O ASP A 57 -1.818 3.215 29.574 1.00 0.00 O ATOM 887 CB ASP A 57 -4.037 5.170 30.909 1.00 0.00 C ATOM 888 CG ASP A 57 -4.399 3.912 31.674 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.475 3.223 32.154 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.606 3.616 31.792 1.00 0.00 O ATOM 0 H ASP A 57 -5.150 3.513 29.465 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.615 5.783 28.893 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.258 5.708 31.449 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.906 5.827 30.864 1.00 0.00 H new ATOM 895 N GLY A 58 -1.179 5.370 29.483 1.00 0.00 N ATOM 896 CA GLY A 58 0.234 5.043 29.506 1.00 0.00 C ATOM 897 C GLY A 58 0.567 3.981 30.535 1.00 0.00 C ATOM 898 O GLY A 58 1.439 3.141 30.312 1.00 0.00 O ATOM 0 H GLY A 58 -1.387 6.368 29.437 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.540 4.696 28.519 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.809 5.944 29.719 1.00 0.00 H new ATOM 902 N LYS A 59 -0.129 4.017 31.666 1.00 0.00 N ATOM 903 CA LYS A 59 0.096 3.050 32.734 1.00 0.00 C ATOM 904 C LYS A 59 -0.251 1.638 32.273 1.00 0.00 C ATOM 905 O LYS A 59 0.511 0.698 32.497 1.00 0.00 O ATOM 906 CB LYS A 59 -0.738 3.415 33.965 1.00 0.00 C ATOM 907 CG LYS A 59 -0.363 4.753 34.578 1.00 0.00 C ATOM 908 CD LYS A 59 0.603 4.583 35.740 1.00 0.00 C ATOM 909 CE LYS A 59 1.947 4.045 35.273 1.00 0.00 C ATOM 910 NZ LYS A 59 2.021 2.562 35.389 1.00 0.00 N ATOM 0 H LYS A 59 -0.854 4.706 31.867 1.00 0.00 H new ATOM 0 HA LYS A 59 1.153 3.078 32.997 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.792 3.435 33.687 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.621 2.635 34.717 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.090 5.389 33.817 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.263 5.261 34.923 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.747 5.542 36.238 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.173 3.903 36.475 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.115 4.337 34.236 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.744 4.496 35.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.694 2.306 36.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.081 2.185 35.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.340 2.159 34.485 1.00 0.00 H new ATOM 924 N GLU A 60 -1.404 1.498 31.627 1.00 0.00 N ATOM 925 CA GLU A 60 -1.850 0.201 31.133 1.00 0.00 C ATOM 926 C GLU A 60 -1.080 -0.198 29.878 1.00 0.00 C ATOM 927 O GLU A 60 -1.164 -1.338 29.420 1.00 0.00 O ATOM 928 CB GLU A 60 -3.351 0.231 30.836 1.00 0.00 C ATOM 929 CG GLU A 60 -4.217 0.290 32.083 1.00 0.00 C ATOM 930 CD GLU A 60 -5.659 0.643 31.776 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.919 1.166 30.671 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.528 0.398 32.638 1.00 0.00 O ATOM 0 H GLU A 60 -2.046 2.267 31.434 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.655 -0.540 31.908 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.572 1.095 30.209 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.617 -0.656 30.261 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.183 -0.674 32.590 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.805 1.027 32.772 1.00 0.00 H new ATOM 939 N LEU A 61 -0.330 0.749 29.326 1.00 0.00 N ATOM 940 CA LEU A 61 0.456 0.498 28.122 1.00 0.00 C ATOM 941 C LEU A 61 1.856 0.009 28.478 1.00 0.00 C ATOM 942 O LEU A 61 2.446 -0.794 27.755 1.00 0.00 O ATOM 943 CB LEU A 61 0.547 1.768 27.275 1.00 0.00 C ATOM 944 CG LEU A 61 1.631 1.779 26.196 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.337 0.732 25.133 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.745 3.161 25.568 1.00 0.00 C ATOM 0 H LEU A 61 -0.249 1.698 29.692 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.045 -0.280 27.546 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.418 1.930 26.794 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.717 2.614 27.941 1.00 0.00 H new ATOM 0 HG LEU A 61 2.584 1.534 26.664 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.119 0.755 24.374 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.307 -0.256 25.593 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.374 0.945 24.669 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.521 3.150 24.803 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.792 3.434 25.115 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.004 3.890 26.336 1.00 0.00 H new ATOM 958 N CYS A 62 2.381 0.496 29.597 1.00 0.00 N ATOM 959 CA CYS A 62 3.712 0.108 30.050 1.00 0.00 C ATOM 960 C CYS A 62 3.662 -1.213 30.812 1.00 0.00 C ATOM 961 O CYS A 62 4.693 -1.839 31.058 1.00 0.00 O ATOM 962 CB CYS A 62 4.310 1.200 30.938 1.00 0.00 C ATOM 963 SG CYS A 62 3.537 1.334 32.566 1.00 0.00 S ATOM 0 H CYS A 62 1.905 1.160 30.207 1.00 0.00 H new ATOM 0 HA CYS A 62 4.345 -0.022 29.172 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.374 1.005 31.068 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.222 2.158 30.426 1.00 0.00 H new ATOM 0 HG CYS A 62 2.270 1.057 32.469 1.00 0.00 H new ATOM 969 N LYS A 63 2.457 -1.630 31.185 1.00 0.00 N ATOM 970 CA LYS A 63 2.272 -2.876 31.919 1.00 0.00 C ATOM 971 C LYS A 63 2.095 -4.051 30.962 1.00 0.00 C ATOM 972 O LYS A 63 2.501 -5.173 31.261 1.00 0.00 O ATOM 973 CB LYS A 63 1.057 -2.771 32.844 1.00 0.00 C ATOM 974 CG LYS A 63 -0.272 -2.837 32.112 1.00 0.00 C ATOM 975 CD LYS A 63 -1.443 -2.836 33.081 1.00 0.00 C ATOM 976 CE LYS A 63 -1.794 -4.245 33.532 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.196 -4.606 33.182 1.00 0.00 N ATOM 0 H LYS A 63 1.593 -1.123 30.991 1.00 0.00 H new ATOM 0 HA LYS A 63 3.165 -3.051 32.519 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.099 -3.576 33.577 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.112 -1.833 33.397 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.358 -1.987 31.435 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.307 -3.738 31.499 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.197 -2.225 33.950 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.310 -2.379 32.605 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.110 -4.956 33.069 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.656 -4.326 34.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.397 -5.574 33.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.851 -3.943 33.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.321 -4.553 32.151 1.00 0.00 H new ATOM 991 N MET A 64 1.489 -3.784 29.810 1.00 0.00 N ATOM 992 CA MET A 64 1.261 -4.819 28.808 1.00 0.00 C ATOM 993 C MET A 64 2.562 -5.539 28.466 1.00 0.00 C ATOM 994 O MET A 64 3.633 -4.934 28.457 1.00 0.00 O ATOM 995 CB MET A 64 0.653 -4.210 27.544 1.00 0.00 C ATOM 996 CG MET A 64 -0.750 -3.661 27.747 1.00 0.00 C ATOM 997 SD MET A 64 -1.978 -4.497 26.726 1.00 0.00 S ATOM 998 CE MET A 64 -1.257 -4.298 25.098 1.00 0.00 C ATOM 0 H MET A 64 1.147 -2.860 29.547 1.00 0.00 H new ATOM 0 HA MET A 64 0.563 -5.545 29.223 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.300 -3.408 27.190 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.628 -4.968 26.761 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.027 -3.761 28.796 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.756 -2.596 27.516 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.041 -4.059 24.380 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.526 -3.490 25.120 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.764 -5.224 24.803 1.00 0.00 H new ATOM 1008 N ASN A 65 2.460 -6.834 28.184 1.00 0.00 N ATOM 1009 CA ASN A 65 3.629 -7.636 27.842 1.00 0.00 C ATOM 1010 C ASN A 65 3.535 -8.150 26.408 1.00 0.00 C ATOM 1011 O ASN A 65 2.590 -7.835 25.684 1.00 0.00 O ATOM 1012 CB ASN A 65 3.767 -8.813 28.810 1.00 0.00 C ATOM 1013 CG ASN A 65 2.953 -10.016 28.376 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.498 -11.006 27.888 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.639 -9.936 28.554 1.00 0.00 N ATOM 0 H ASN A 65 1.580 -7.350 28.186 1.00 0.00 H new ATOM 0 HA ASN A 65 4.511 -7.001 27.925 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.817 -9.096 28.886 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.448 -8.501 29.805 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.039 -10.715 28.282 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.230 -9.096 28.962 1.00 0.00 H new ATOM 1022 N LYS A 66 4.521 -8.944 26.005 1.00 0.00 N ATOM 1023 CA LYS A 66 4.550 -9.504 24.659 1.00 0.00 C ATOM 1024 C LYS A 66 3.225 -10.180 24.322 1.00 0.00 C ATOM 1025 O LYS A 66 2.684 -9.995 23.232 1.00 0.00 O ATOM 1026 CB LYS A 66 5.695 -10.511 24.529 1.00 0.00 C ATOM 1027 CG LYS A 66 5.996 -10.908 23.094 1.00 0.00 C ATOM 1028 CD LYS A 66 7.335 -10.358 22.631 1.00 0.00 C ATOM 1029 CE LYS A 66 7.616 -10.722 21.182 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.599 -11.835 21.070 1.00 0.00 N ATOM 0 H LYS A 66 5.311 -9.214 26.591 1.00 0.00 H new ATOM 0 HA LYS A 66 4.710 -8.687 23.956 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.594 -10.086 24.976 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.447 -11.406 25.100 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.999 -11.995 23.010 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.205 -10.540 22.440 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.342 -9.274 22.743 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.130 -10.749 23.266 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.685 -11.009 20.693 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.997 -9.847 20.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.446 -11.501 20.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.867 -12.159 22.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.172 -12.624 20.544 1.00 0.00 H new ATOM 1044 N GLU A 67 2.707 -10.961 25.265 1.00 0.00 N ATOM 1045 CA GLU A 67 1.444 -11.662 25.066 1.00 0.00 C ATOM 1046 C GLU A 67 0.304 -10.675 24.831 1.00 0.00 C ATOM 1047 O GLU A 67 -0.318 -10.670 23.769 1.00 0.00 O ATOM 1048 CB GLU A 67 1.129 -12.544 26.277 1.00 0.00 C ATOM 1049 CG GLU A 67 1.507 -14.002 26.083 1.00 0.00 C ATOM 1050 CD GLU A 67 0.648 -14.942 26.906 1.00 0.00 C ATOM 1051 OE1 GLU A 67 1.025 -15.231 28.061 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.400 -15.389 26.396 1.00 0.00 O ATOM 0 H GLU A 67 3.142 -11.124 26.173 1.00 0.00 H new ATOM 0 HA GLU A 67 1.543 -12.292 24.182 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.656 -12.153 27.147 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.063 -12.480 26.495 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.414 -14.260 25.028 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.554 -14.141 26.354 1.00 0.00 H new ATOM 1059 N ASP A 68 0.037 -9.841 25.830 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.027 -8.849 25.734 1.00 0.00 C ATOM 1061 C ASP A 68 -0.884 -8.021 24.460 1.00 0.00 C ATOM 1062 O ASP A 68 -1.876 -7.666 23.823 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.012 -7.932 26.958 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.040 -8.706 28.261 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.430 -9.892 28.239 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.672 -8.125 29.303 1.00 0.00 O ATOM 0 H ASP A 68 0.543 -9.832 26.716 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.980 -9.377 25.698 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.120 -7.307 26.929 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.871 -7.263 26.918 1.00 0.00 H new ATOM 1071 N PHE A 69 0.357 -7.716 24.096 1.00 0.00 N ATOM 1072 CA PHE A 69 0.630 -6.927 22.900 1.00 0.00 C ATOM 1073 C PHE A 69 0.361 -7.742 21.638 1.00 0.00 C ATOM 1074 O PHE A 69 -0.063 -7.202 20.615 1.00 0.00 O ATOM 1075 CB PHE A 69 2.080 -6.439 22.905 1.00 0.00 C ATOM 1076 CG PHE A 69 2.244 -5.052 23.457 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.758 -3.955 22.763 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.883 -4.844 24.668 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.907 -2.677 23.268 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.034 -3.569 25.178 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.546 -2.483 24.476 1.00 0.00 C ATOM 0 H PHE A 69 1.189 -8.003 24.611 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.037 -6.065 22.904 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.685 -7.129 23.493 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.467 -6.464 21.886 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.257 -4.100 21.817 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.268 -5.689 25.220 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.524 -1.831 22.718 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.533 -3.421 26.124 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.664 -1.485 24.872 1.00 0.00 H new ATOM 1091 N LEU A 70 0.609 -9.045 21.718 1.00 0.00 N ATOM 1092 CA LEU A 70 0.394 -9.935 20.583 1.00 0.00 C ATOM 1093 C LEU A 70 -1.094 -10.095 20.290 1.00 0.00 C ATOM 1094 O LEU A 70 -1.481 -10.506 19.196 1.00 0.00 O ATOM 1095 CB LEU A 70 1.021 -11.304 20.858 1.00 0.00 C ATOM 1096 CG LEU A 70 2.407 -11.540 20.257 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.950 -12.895 20.684 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.355 -11.438 18.740 1.00 0.00 C ATOM 0 H LEU A 70 0.959 -9.508 22.557 1.00 0.00 H new ATOM 0 HA LEU A 70 0.872 -9.491 19.709 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.087 -11.441 21.937 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.347 -12.073 20.480 1.00 0.00 H new ATOM 0 HG LEU A 70 3.080 -10.768 20.630 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.937 -13.046 20.247 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.025 -12.931 21.771 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.277 -13.681 20.341 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.350 -11.609 18.330 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.667 -12.188 18.348 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.010 -10.444 18.454 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.924 -9.764 21.274 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.370 -9.870 21.121 1.00 0.00 C ATOM 1112 C ARG A 71 -3.934 -8.637 20.419 1.00 0.00 C ATOM 1113 O ARG A 71 -5.144 -8.519 20.229 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.038 -10.042 22.486 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.471 -11.194 23.300 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.503 -11.757 24.264 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.497 -13.217 24.281 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.068 -13.966 23.344 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.686 -13.394 22.320 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.020 -15.289 23.430 1.00 0.00 N ATOM 0 H ARG A 71 -1.620 -9.420 22.185 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.582 -10.746 20.508 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.928 -9.118 23.054 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.106 -10.202 22.341 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.131 -11.982 22.629 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.599 -10.852 23.858 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.304 -11.382 25.268 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.494 -11.402 23.982 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.029 -13.688 25.055 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.724 -12.377 22.251 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.124 -13.971 21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.544 -15.732 24.216 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.459 -15.863 22.710 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.048 -7.723 20.038 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.457 -6.501 19.357 1.00 0.00 C ATOM 1136 C ALA A 72 -2.593 -6.242 18.127 1.00 0.00 C ATOM 1137 O ALA A 72 -3.087 -5.803 17.088 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.389 -5.317 20.310 1.00 0.00 C ATOM 0 H ALA A 72 -2.043 -7.806 20.189 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.487 -6.628 19.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.697 -4.411 19.788 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.054 -5.492 21.156 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.367 -5.198 20.670 1.00 0.00 H new ATOM 1144 N THR A 73 -1.298 -6.518 18.251 1.00 0.00 N ATOM 1145 CA THR A 73 -0.365 -6.313 17.150 1.00 0.00 C ATOM 1146 C THR A 73 0.382 -7.600 16.817 1.00 0.00 C ATOM 1147 O THR A 73 0.515 -8.489 17.658 1.00 0.00 O ATOM 1148 CB THR A 73 0.658 -5.209 17.479 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.320 -4.783 16.283 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.686 -5.706 18.485 1.00 0.00 C ATOM 0 H THR A 73 -0.872 -6.884 19.103 1.00 0.00 H new ATOM 0 HA THR A 73 -0.956 -6.005 16.287 1.00 0.00 H new ATOM 0 HB THR A 73 0.123 -4.367 17.917 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.672 -4.737 15.549 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.398 -4.909 18.702 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.181 -6.002 19.405 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.216 -6.563 18.070 1.00 0.00 H new ATOM 1158 N THR A 74 0.871 -7.692 15.584 1.00 0.00 N ATOM 1159 CA THR A 74 1.605 -8.870 15.139 1.00 0.00 C ATOM 1160 C THR A 74 2.883 -9.060 15.948 1.00 0.00 C ATOM 1161 O THR A 74 3.324 -8.151 16.653 1.00 0.00 O ATOM 1162 CB THR A 74 1.966 -8.776 13.645 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.652 -9.963 13.230 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.839 -7.559 13.375 1.00 0.00 C ATOM 0 H THR A 74 0.772 -6.965 14.876 1.00 0.00 H new ATOM 0 HA THR A 74 0.950 -9.727 15.294 1.00 0.00 H new ATOM 0 HB THR A 74 1.042 -8.674 13.077 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.876 -9.895 12.278 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.081 -7.513 12.313 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.303 -6.655 13.664 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.759 -7.636 13.954 1.00 0.00 H new ATOM 1172 N LEU A 75 3.474 -10.245 15.842 1.00 0.00 N ATOM 1173 CA LEU A 75 4.703 -10.554 16.564 1.00 0.00 C ATOM 1174 C LEU A 75 5.805 -9.559 16.214 1.00 0.00 C ATOM 1175 O LEU A 75 6.433 -8.975 17.098 1.00 0.00 O ATOM 1176 CB LEU A 75 5.163 -11.976 16.242 1.00 0.00 C ATOM 1177 CG LEU A 75 6.598 -12.324 16.640 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.766 -12.250 18.150 1.00 0.00 C ATOM 1179 CD2 LEU A 75 6.974 -13.706 16.127 1.00 0.00 C ATOM 0 H LEU A 75 3.122 -11.007 15.263 1.00 0.00 H new ATOM 0 HA LEU A 75 4.497 -10.479 17.632 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.490 -12.675 16.738 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.056 -12.137 15.169 1.00 0.00 H new ATOM 0 HG LEU A 75 7.268 -11.595 16.184 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.793 -12.501 18.415 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.539 -11.240 18.492 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.086 -12.956 18.627 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.998 -13.936 16.420 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.299 -14.448 16.553 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.894 -13.725 15.040 1.00 0.00 H new ATOM 1191 N TYR A 76 6.033 -9.369 14.919 1.00 0.00 N ATOM 1192 CA TYR A 76 7.059 -8.445 14.451 1.00 0.00 C ATOM 1193 C TYR A 76 6.930 -7.091 15.143 1.00 0.00 C ATOM 1194 O TYR A 76 7.895 -6.572 15.701 1.00 0.00 O ATOM 1195 CB TYR A 76 6.963 -8.267 12.935 1.00 0.00 C ATOM 1196 CG TYR A 76 8.040 -7.376 12.360 1.00 0.00 C ATOM 1197 CD1 TYR A 76 7.950 -5.993 12.457 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.148 -7.917 11.720 1.00 0.00 C ATOM 1199 CE1 TYR A 76 8.931 -5.174 11.932 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.135 -7.106 11.194 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.022 -5.736 11.302 1.00 0.00 C ATOM 1202 OH TYR A 76 11.003 -4.924 10.779 1.00 0.00 O ATOM 0 H TYR A 76 5.521 -9.843 14.175 1.00 0.00 H new ATOM 0 HA TYR A 76 8.032 -8.868 14.699 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.020 -9.246 12.459 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.987 -7.849 12.688 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.098 -5.550 12.952 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.239 -8.990 11.632 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.844 -4.101 12.014 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.991 -7.543 10.701 1.00 0.00 H new ATOM 0 HH TYR A 76 11.702 -5.477 10.371 1.00 0.00 H new ATOM 1212 N ASN A 77 5.727 -6.526 15.101 1.00 0.00 N ATOM 1213 CA ASN A 77 5.469 -5.232 15.723 1.00 0.00 C ATOM 1214 C ASN A 77 5.611 -5.320 17.240 1.00 0.00 C ATOM 1215 O ASN A 77 6.064 -4.376 17.888 1.00 0.00 O ATOM 1216 CB ASN A 77 4.068 -4.739 15.359 1.00 0.00 C ATOM 1217 CG ASN A 77 3.948 -4.370 13.893 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.949 -4.248 13.188 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.717 -4.190 13.427 1.00 0.00 N ATOM 0 H ASN A 77 4.917 -6.943 14.643 1.00 0.00 H new ATOM 0 HA ASN A 77 6.206 -4.522 15.347 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.340 -5.514 15.596 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.821 -3.871 15.971 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.574 -3.940 12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.915 -4.302 14.048 1.00 0.00 H new ATOM 1226 N THR A 78 5.222 -6.461 17.800 1.00 0.00 N ATOM 1227 CA THR A 78 5.305 -6.673 19.240 1.00 0.00 C ATOM 1228 C THR A 78 6.740 -6.533 19.734 1.00 0.00 C ATOM 1229 O THR A 78 6.977 -6.112 20.866 1.00 0.00 O ATOM 1230 CB THR A 78 4.771 -8.063 19.635 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.395 -8.185 19.259 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.915 -8.293 21.132 1.00 0.00 C ATOM 0 H THR A 78 4.846 -7.253 17.278 1.00 0.00 H new ATOM 0 HA THR A 78 4.686 -5.908 19.709 1.00 0.00 H new ATOM 0 HB THR A 78 5.359 -8.816 19.109 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.336 -8.476 18.325 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.531 -9.281 21.387 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.967 -8.229 21.410 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.350 -7.534 21.673 1.00 0.00 H new ATOM 1240 N GLU A 79 7.693 -6.887 18.878 1.00 0.00 N ATOM 1241 CA GLU A 79 9.106 -6.800 19.230 1.00 0.00 C ATOM 1242 C GLU A 79 9.589 -5.353 19.187 1.00 0.00 C ATOM 1243 O GLU A 79 10.399 -4.932 20.013 1.00 0.00 O ATOM 1244 CB GLU A 79 9.944 -7.658 18.281 1.00 0.00 C ATOM 1245 CG GLU A 79 10.028 -9.118 18.694 1.00 0.00 C ATOM 1246 CD GLU A 79 11.442 -9.663 18.629 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.064 -9.570 17.550 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.926 -10.182 19.657 1.00 0.00 O ATOM 0 H GLU A 79 7.513 -7.236 17.937 1.00 0.00 H new ATOM 0 HA GLU A 79 9.225 -7.174 20.247 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.520 -7.597 17.279 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.952 -7.246 18.226 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.647 -9.227 19.709 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.383 -9.712 18.046 1.00 0.00 H new ATOM 1255 N VAL A 80 9.087 -4.597 18.216 1.00 0.00 N ATOM 1256 CA VAL A 80 9.466 -3.197 18.063 1.00 0.00 C ATOM 1257 C VAL A 80 8.954 -2.359 19.229 1.00 0.00 C ATOM 1258 O VAL A 80 9.728 -1.692 19.916 1.00 0.00 O ATOM 1259 CB VAL A 80 8.926 -2.610 16.746 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.220 -1.120 16.665 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.518 -3.344 15.553 1.00 0.00 C ATOM 0 H VAL A 80 8.417 -4.930 17.523 1.00 0.00 H new ATOM 0 HA VAL A 80 10.555 -3.164 18.046 1.00 0.00 H new ATOM 0 HB VAL A 80 7.844 -2.744 16.726 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.831 -0.723 15.727 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.743 -0.609 17.501 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.297 -0.959 16.708 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.125 -2.916 14.631 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.603 -3.244 15.566 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.250 -4.399 15.606 1.00 0.00 H new ATOM 1271 N LEU A 81 7.644 -2.398 19.447 1.00 0.00 N ATOM 1272 CA LEU A 81 7.026 -1.642 20.531 1.00 0.00 C ATOM 1273 C LEU A 81 7.701 -1.951 21.864 1.00 0.00 C ATOM 1274 O LEU A 81 8.162 -1.048 22.564 1.00 0.00 O ATOM 1275 CB LEU A 81 5.533 -1.961 20.616 1.00 0.00 C ATOM 1276 CG LEU A 81 4.699 -1.606 19.384 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.299 -2.188 19.501 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.638 -0.097 19.199 1.00 0.00 C ATOM 0 H LEU A 81 6.989 -2.945 18.888 1.00 0.00 H new ATOM 0 HA LEU A 81 7.152 -0.580 20.318 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.420 -3.027 20.811 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.118 -1.434 21.475 1.00 0.00 H new ATOM 0 HG LEU A 81 5.178 -2.041 18.507 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.720 -1.925 18.615 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.362 -3.273 19.584 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.810 -1.784 20.387 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.041 0.138 18.318 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.183 0.359 20.078 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.647 0.295 19.068 1.00 0.00 H new ATOM 1290 N LEU A 82 7.757 -3.233 22.209 1.00 0.00 N ATOM 1291 CA LEU A 82 8.377 -3.662 23.458 1.00 0.00 C ATOM 1292 C LEU A 82 9.806 -3.139 23.564 1.00 0.00 C ATOM 1293 O LEU A 82 10.212 -2.620 24.604 1.00 0.00 O ATOM 1294 CB LEU A 82 8.373 -5.189 23.553 1.00 0.00 C ATOM 1295 CG LEU A 82 7.158 -5.815 24.238 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.185 -5.538 25.733 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.869 -5.292 23.620 1.00 0.00 C ATOM 0 H LEU A 82 7.381 -3.993 21.642 1.00 0.00 H new ATOM 0 HA LEU A 82 7.797 -3.250 24.284 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.446 -5.596 22.545 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.269 -5.502 24.089 1.00 0.00 H new ATOM 0 HG LEU A 82 7.198 -6.894 24.089 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.312 -5.991 26.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.091 -5.962 26.165 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.171 -4.462 25.904 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.015 -5.748 24.120 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.822 -4.209 23.737 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.846 -5.543 22.560 1.00 0.00 H new ATOM 1309 N SER A 83 10.563 -3.277 22.481 1.00 0.00 N ATOM 1310 CA SER A 83 11.948 -2.819 22.452 1.00 0.00 C ATOM 1311 C SER A 83 12.025 -1.310 22.664 1.00 0.00 C ATOM 1312 O SER A 83 12.862 -0.820 23.424 1.00 0.00 O ATOM 1313 CB SER A 83 12.604 -3.193 21.122 1.00 0.00 C ATOM 1314 OG SER A 83 13.918 -2.671 21.037 1.00 0.00 O ATOM 0 H SER A 83 10.241 -3.702 21.611 1.00 0.00 H new ATOM 0 HA SER A 83 12.484 -3.311 23.264 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.633 -4.278 21.020 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.003 -2.811 20.297 1.00 0.00 H new ATOM 0 HG SER A 83 14.316 -2.925 20.178 1.00 0.00 H new ATOM 1320 N HIS A 84 11.147 -0.578 21.986 1.00 0.00 N ATOM 1321 CA HIS A 84 11.115 0.876 22.099 1.00 0.00 C ATOM 1322 C HIS A 84 10.739 1.302 23.515 1.00 0.00 C ATOM 1323 O HIS A 84 11.493 2.013 24.182 1.00 0.00 O ATOM 1324 CB HIS A 84 10.122 1.465 21.097 1.00 0.00 C ATOM 1325 CG HIS A 84 10.345 2.919 20.818 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.340 3.551 20.153 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.482 3.908 21.244 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 11.063 4.896 20.187 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.937 5.084 20.851 1.00 0.00 N flip ATOM 0 H HIS A 84 10.449 -0.967 21.353 1.00 0.00 H new ATOM 0 HA HIS A 84 12.112 1.255 21.876 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.189 0.909 20.162 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.110 1.327 21.477 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.577 3.746 21.810 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.668 5.673 19.743 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.494 5.985 21.030 1.00 0.00 H new ATOM 1337 N LEU A 85 9.570 0.865 23.969 1.00 0.00 N ATOM 1338 CA LEU A 85 9.093 1.202 25.306 1.00 0.00 C ATOM 1339 C LEU A 85 10.092 0.754 26.369 1.00 0.00 C ATOM 1340 O LEU A 85 10.261 1.415 27.393 1.00 0.00 O ATOM 1341 CB LEU A 85 7.732 0.552 25.562 1.00 0.00 C ATOM 1342 CG LEU A 85 6.655 1.462 26.154 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.621 1.821 25.098 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.991 0.794 27.349 1.00 0.00 C ATOM 0 H LEU A 85 8.934 0.276 23.431 1.00 0.00 H new ATOM 0 HA LEU A 85 8.988 2.285 25.366 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.361 0.149 24.620 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.876 -0.293 26.235 1.00 0.00 H new ATOM 0 HG LEU A 85 7.130 2.382 26.495 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.862 2.469 25.537 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.109 2.340 24.273 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.150 0.911 24.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.227 1.456 27.758 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.529 -0.141 27.033 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.740 0.589 28.114 1.00 0.00 H new ATOM 1356 N SER A 86 10.752 -0.372 26.116 1.00 0.00 N ATOM 1357 CA SER A 86 11.733 -0.909 27.052 1.00 0.00 C ATOM 1358 C SER A 86 12.754 0.157 27.440 1.00 0.00 C ATOM 1359 O SER A 86 13.294 0.141 28.546 1.00 0.00 O ATOM 1360 CB SER A 86 12.446 -2.116 26.439 1.00 0.00 C ATOM 1361 OG SER A 86 13.489 -2.574 27.282 1.00 0.00 O ATOM 0 H SER A 86 10.625 -0.930 25.271 1.00 0.00 H new ATOM 0 HA SER A 86 11.205 -1.226 27.952 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.729 -2.920 26.273 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.854 -1.846 25.465 1.00 0.00 H new ATOM 0 HG SER A 86 13.928 -3.347 26.869 1.00 0.00 H new ATOM 1367 N TYR A 87 13.013 1.080 26.521 1.00 0.00 N ATOM 1368 CA TYR A 87 13.971 2.152 26.765 1.00 0.00 C ATOM 1369 C TYR A 87 13.289 3.357 27.405 1.00 0.00 C ATOM 1370 O TYR A 87 13.749 3.879 28.421 1.00 0.00 O ATOM 1371 CB TYR A 87 14.645 2.569 25.456 1.00 0.00 C ATOM 1372 CG TYR A 87 15.483 3.821 25.579 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.749 3.780 26.151 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.010 5.046 25.125 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.519 4.921 26.267 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.773 6.192 25.235 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.027 6.125 25.807 1.00 0.00 C ATOM 1378 OH TYR A 87 17.790 7.264 25.919 1.00 0.00 O ATOM 0 H TYR A 87 12.574 1.108 25.601 1.00 0.00 H new ATOM 0 HA TYR A 87 14.729 1.778 27.454 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.276 1.752 25.106 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.879 2.728 24.697 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.138 2.839 26.511 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.028 5.103 24.678 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.500 4.871 26.715 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.390 7.136 24.875 1.00 0.00 H new ATOM 0 HH TYR A 87 17.298 8.025 25.546 1.00 0.00 H new ATOM 1388 N LEU A 88 12.188 3.794 26.803 1.00 0.00 N ATOM 1389 CA LEU A 88 11.439 4.938 27.314 1.00 0.00 C ATOM 1390 C LEU A 88 11.082 4.742 28.784 1.00 0.00 C ATOM 1391 O LEU A 88 11.275 5.639 29.604 1.00 0.00 O ATOM 1392 CB LEU A 88 10.167 5.148 26.491 1.00 0.00 C ATOM 1393 CG LEU A 88 10.350 5.827 25.134 1.00 0.00 C ATOM 1394 CD1 LEU A 88 10.971 4.864 24.134 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.018 6.351 24.616 1.00 0.00 C ATOM 0 H LEU A 88 11.794 3.374 25.961 1.00 0.00 H new ATOM 0 HA LEU A 88 12.070 5.823 27.228 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.699 4.177 26.329 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.470 5.743 27.081 1.00 0.00 H new ATOM 0 HG LEU A 88 11.026 6.672 25.261 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.093 5.365 23.174 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.945 4.537 24.500 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.321 3.998 24.011 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.167 6.831 23.649 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.319 5.522 24.505 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.613 7.076 25.322 1.00 0.00 H new