USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 770 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 33 CYS SG : rot -95:sc= 0.205 USER MOD Set 1.2: A 59 CYS SG : rot 160:sc= -1.81 USER MOD Set 1.3: A 61 SER OG : rot 96:sc= 0.781 USER MOD Set 1.4: A 101 HIS : no HD1:sc= -2.49 K(o=-5.3,f=-8!) USER MOD Set 1.5: A 102 CYS SG : rot 10:sc= -2 USER MOD Set 2.1: A 56 THR OG1 : rot -130:sc= 0.774 USER MOD Set 2.2: A 66 SER OG : rot -174:sc= 0.0208 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.152 F(o=-1.3,f=-0.15) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 155:sc= -1.86 (180deg=-3.78!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.89) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.493) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0269) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 78:sc= 0.28 USER MOD Single : A 70 THR OG1 : rot 100:sc= 0.91 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00811) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 83 THR OG1 : rot -28:sc= 1.11 USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 0.786 (180deg=0.778) USER MOD Single : A 86 ASN : amide:sc= -2.18! C(o=-2.2!,f=-5.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -2:sc= 0.9 USER MOD Single : A 99 LYS NZ :NH3+ -121:sc= -0.312 (180deg=-0.684) USER MOD Single : A 103 SER OG : rot -58:sc= 1.1 USER MOD Single : A 104 MET CE :methyl 159:sc= -0.115 (180deg=-0.614) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0.526 (180deg=0.495) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0539 USER MOD Single : A 118 LYS NZ :NH3+ -170:sc= -0.0993 (180deg=-0.435) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.233 -13.078 -2.282 1.00 0.00 N ATOM 282 CA ASN A 22 -9.733 -12.067 -1.358 1.00 0.00 C ATOM 283 C ASN A 22 -8.678 -10.995 -1.100 1.00 0.00 C ATOM 284 O ASN A 22 -9.004 -9.841 -0.824 1.00 0.00 O ATOM 285 CB ASN A 22 -10.151 -12.715 -0.036 1.00 0.00 C ATOM 286 CG ASN A 22 -9.077 -13.629 0.524 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.110 -13.045 1.221 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -9.118 -14.844 0.332 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.603 -11.594 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.377 -11.936 0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.067 -13.286 -0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.881 -15.249 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.389 -15.446 0.715 1.00 0.00 H new ATOM 295 N VAL A 23 -7.411 -11.386 -1.193 1.00 0.00 N ATOM 296 CA VAL A 23 -6.307 -10.459 -0.972 1.00 0.00 C ATOM 297 C VAL A 23 -5.557 -10.179 -2.269 1.00 0.00 C ATOM 298 O VAL A 23 -5.022 -11.091 -2.899 1.00 0.00 O ATOM 299 CB VAL A 23 -5.317 -11.006 0.074 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.945 -12.446 -0.244 1.00 0.00 C ATOM 301 CG2 VAL A 23 -4.076 -10.129 0.141 1.00 0.00 C ATOM 0 H VAL A 23 -7.124 -12.338 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.741 -9.531 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.801 -10.988 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.245 -12.815 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.843 -13.064 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.480 -12.493 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.387 -10.530 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.589 -10.113 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.362 -9.115 0.420 1.00 0.00 H new ATOM 311 N GLY A 24 -5.520 -8.910 -2.663 1.00 0.00 N ATOM 312 CA GLY A 24 -4.832 -8.531 -3.883 1.00 0.00 C ATOM 313 C GLY A 24 -3.360 -8.251 -3.656 1.00 0.00 C ATOM 314 O GLY A 24 -2.885 -8.264 -2.519 1.00 0.00 O ATOM 0 H GLY A 24 -5.955 -8.137 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.938 -9.328 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.307 -7.644 -4.304 1.00 0.00 H new ATOM 318 N THR A 25 -2.633 -7.999 -4.740 1.00 0.00 N ATOM 319 CA THR A 25 -1.205 -7.717 -4.654 1.00 0.00 C ATOM 320 C THR A 25 -0.817 -6.561 -5.568 1.00 0.00 C ATOM 321 O THR A 25 -0.849 -6.685 -6.791 1.00 0.00 O ATOM 322 CB THR A 25 -0.365 -8.954 -5.025 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.861 -10.107 -4.336 1.00 0.00 O ATOM 324 CG2 THR A 25 1.099 -8.738 -4.676 1.00 0.00 C ATOM 0 H THR A 25 -3.009 -7.984 -5.688 1.00 0.00 H new ATOM 0 HA THR A 25 -0.999 -7.444 -3.619 1.00 0.00 H new ATOM 0 HB THR A 25 -0.445 -9.112 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.323 -10.889 -4.578 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.672 -9.625 -4.947 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.481 -7.877 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.195 -8.557 -3.605 1.00 0.00 H new ATOM 332 N GLY A 26 -0.449 -5.434 -4.965 1.00 0.00 N ATOM 333 CA GLY A 26 -0.059 -4.271 -5.740 1.00 0.00 C ATOM 334 C GLY A 26 1.410 -3.931 -5.577 1.00 0.00 C ATOM 335 O GLY A 26 1.832 -3.460 -4.521 1.00 0.00 O ATOM 0 H GLY A 26 -0.414 -5.306 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.272 -4.452 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.663 -3.416 -5.435 1.00 0.00 H new ATOM 339 N LEU A 27 2.191 -4.172 -6.624 1.00 0.00 N ATOM 340 CA LEU A 27 3.622 -3.890 -6.593 1.00 0.00 C ATOM 341 C LEU A 27 3.960 -2.692 -7.473 1.00 0.00 C ATOM 342 O LEU A 27 3.668 -2.685 -8.669 1.00 0.00 O ATOM 343 CB LEU A 27 4.413 -5.115 -7.052 1.00 0.00 C ATOM 344 CG LEU A 27 5.936 -4.973 -7.043 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.400 -4.287 -5.768 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.600 -6.334 -7.191 1.00 0.00 C ATOM 0 H LEU A 27 1.857 -4.562 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 27 3.898 -3.651 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.143 -5.957 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.098 -5.368 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 27 6.229 -4.355 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.486 -4.195 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.952 -3.295 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.095 -4.879 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.683 -6.213 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.300 -6.977 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.293 -6.788 -8.133 1.00 0.00 H new ATOM 358 N VAL A 28 4.581 -1.680 -6.875 1.00 0.00 N ATOM 359 CA VAL A 28 4.962 -0.477 -7.605 1.00 0.00 C ATOM 360 C VAL A 28 6.338 0.016 -7.170 1.00 0.00 C ATOM 361 O VAL A 28 6.559 0.316 -5.998 1.00 0.00 O ATOM 362 CB VAL A 28 3.935 0.652 -7.402 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.678 0.383 -8.214 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.603 0.811 -5.926 1.00 0.00 C ATOM 0 H VAL A 28 4.831 -1.670 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 28 4.992 -0.743 -8.662 1.00 0.00 H new ATOM 0 HB VAL A 28 4.373 1.586 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.964 1.192 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.934 0.324 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.234 -0.560 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.876 1.613 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.185 -0.121 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.510 1.054 -5.373 1.00 0.00 H new ATOM 374 N GLY A 29 7.260 0.099 -8.125 1.00 0.00 N ATOM 375 CA GLY A 29 8.603 0.558 -7.821 1.00 0.00 C ATOM 376 C GLY A 29 8.973 1.815 -8.583 1.00 0.00 C ATOM 377 O GLY A 29 8.266 2.220 -9.506 1.00 0.00 O ATOM 0 H GLY A 29 7.101 -0.143 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.685 0.748 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.316 -0.231 -8.060 1.00 0.00 H new ATOM 381 N ALA A 30 10.082 2.435 -8.195 1.00 0.00 N ATOM 382 CA ALA A 30 10.545 3.653 -8.849 1.00 0.00 C ATOM 383 C ALA A 30 11.636 3.348 -9.870 1.00 0.00 C ATOM 384 O ALA A 30 12.597 2.631 -9.591 1.00 0.00 O ATOM 385 CB ALA A 30 11.050 4.647 -7.815 1.00 0.00 C ATOM 0 H ALA A 30 10.677 2.114 -7.431 1.00 0.00 H new ATOM 0 HA ALA A 30 9.701 4.094 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.393 5.552 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.243 4.897 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.877 4.205 -7.259 1.00 0.00 H new ATOM 391 N PRO A 31 11.486 3.903 -11.081 1.00 0.00 N ATOM 392 CA PRO A 31 12.449 3.704 -12.168 1.00 0.00 C ATOM 393 C PRO A 31 13.776 4.407 -11.902 1.00 0.00 C ATOM 394 O PRO A 31 14.842 3.800 -12.004 1.00 0.00 O ATOM 395 CB PRO A 31 11.749 4.324 -13.380 1.00 0.00 C ATOM 396 CG PRO A 31 10.814 5.330 -12.804 1.00 0.00 C ATOM 397 CD PRO A 31 10.365 4.769 -11.483 1.00 0.00 C ATOM 0 HA PRO A 31 12.705 2.653 -12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.466 4.791 -14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.213 3.570 -13.956 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.309 6.292 -12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.964 5.497 -13.466 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.184 5.557 -10.752 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.437 4.206 -11.580 1.00 0.00 H new ATOM 405 N ALA A 32 13.704 5.689 -11.561 1.00 0.00 N ATOM 406 CA ALA A 32 14.900 6.473 -11.278 1.00 0.00 C ATOM 407 C ALA A 32 15.552 6.028 -9.973 1.00 0.00 C ATOM 408 O ALA A 32 16.646 5.463 -9.975 1.00 0.00 O ATOM 409 CB ALA A 32 14.558 7.955 -11.221 1.00 0.00 C ATOM 0 H ALA A 32 12.830 6.207 -11.474 1.00 0.00 H new ATOM 0 HA ALA A 32 15.613 6.307 -12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.460 8.529 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.144 8.270 -12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.824 8.129 -10.434 1.00 0.00 H new ATOM 415 N CYS A 33 14.874 6.287 -8.860 1.00 0.00 N ATOM 416 CA CYS A 33 15.387 5.914 -7.548 1.00 0.00 C ATOM 417 C CYS A 33 15.704 4.423 -7.491 1.00 0.00 C ATOM 418 O CYS A 33 16.717 4.014 -6.924 1.00 0.00 O ATOM 419 CB CYS A 33 14.373 6.273 -6.460 1.00 0.00 C ATOM 420 SG CYS A 33 15.075 6.335 -4.780 1.00 0.00 S ATOM 0 H CYS A 33 13.967 6.754 -8.841 1.00 0.00 H new ATOM 0 HA CYS A 33 16.308 6.470 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 33 13.933 7.242 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.564 5.543 -6.477 1.00 0.00 H new ATOM 0 HG CYS A 33 14.897 5.189 -4.193 1.00 0.00 H new ATOM 425 N GLY A 34 14.831 3.614 -8.083 1.00 0.00 N ATOM 426 CA GLY A 34 15.035 2.178 -8.089 1.00 0.00 C ATOM 427 C GLY A 34 14.570 1.521 -6.804 1.00 0.00 C ATOM 428 O GLY A 34 15.360 0.890 -6.101 1.00 0.00 O ATOM 0 H GLY A 34 13.985 3.928 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.499 1.741 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.093 1.965 -8.240 1.00 0.00 H new ATOM 432 N ASP A 35 13.287 1.670 -6.496 1.00 0.00 N ATOM 433 CA ASP A 35 12.718 1.087 -5.287 1.00 0.00 C ATOM 434 C ASP A 35 11.670 0.033 -5.633 1.00 0.00 C ATOM 435 O ASP A 35 11.133 0.016 -6.740 1.00 0.00 O ATOM 436 CB ASP A 35 12.094 2.177 -4.414 1.00 0.00 C ATOM 437 CG ASP A 35 12.805 3.508 -4.554 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.008 3.506 -4.890 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.159 4.552 -4.329 1.00 0.00 O ATOM 0 H ASP A 35 12.621 2.190 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 35 13.523 0.605 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.045 2.299 -4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.120 1.862 -3.371 1.00 0.00 H new ATOM 444 N VAL A 36 11.385 -0.846 -4.677 1.00 0.00 N ATOM 445 CA VAL A 36 10.402 -1.904 -4.881 1.00 0.00 C ATOM 446 C VAL A 36 9.464 -2.020 -3.684 1.00 0.00 C ATOM 447 O VAL A 36 9.789 -2.667 -2.689 1.00 0.00 O ATOM 448 CB VAL A 36 11.082 -3.265 -5.119 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.045 -4.333 -5.432 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.105 -3.159 -6.240 1.00 0.00 C ATOM 0 H VAL A 36 11.820 -0.846 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 36 9.826 -1.634 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 36 11.604 -3.556 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.544 -5.288 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.354 -4.425 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.493 -4.052 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.576 -4.129 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.608 -2.846 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.865 -2.425 -5.971 1.00 0.00 H new ATOM 460 N MET A 37 8.300 -1.388 -3.788 1.00 0.00 N ATOM 461 CA MET A 37 7.314 -1.422 -2.714 1.00 0.00 C ATOM 462 C MET A 37 6.135 -2.315 -3.086 1.00 0.00 C ATOM 463 O MET A 37 5.351 -1.988 -3.978 1.00 0.00 O ATOM 464 CB MET A 37 6.818 -0.008 -2.403 1.00 0.00 C ATOM 465 CG MET A 37 6.008 0.083 -1.120 1.00 0.00 C ATOM 466 SD MET A 37 4.246 -0.188 -1.391 1.00 0.00 S ATOM 467 CE MET A 37 3.555 1.269 -0.610 1.00 0.00 C ATOM 0 H MET A 37 8.016 -0.846 -4.604 1.00 0.00 H new ATOM 0 HA MET A 37 7.795 -1.835 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.675 0.661 -2.330 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.208 0.345 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.380 -0.653 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.156 1.065 -0.670 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.582 1.490 -1.049 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.438 1.088 0.459 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.224 2.116 -0.764 1.00 0.00 H new ATOM 477 N LYS A 38 6.015 -3.446 -2.399 1.00 0.00 N ATOM 478 CA LYS A 38 4.932 -4.387 -2.656 1.00 0.00 C ATOM 479 C LYS A 38 3.869 -4.306 -1.564 1.00 0.00 C ATOM 480 O LYS A 38 4.145 -4.577 -0.395 1.00 0.00 O ATOM 481 CB LYS A 38 5.478 -5.814 -2.745 1.00 0.00 C ATOM 482 CG LYS A 38 4.596 -6.754 -3.548 1.00 0.00 C ATOM 483 CD LYS A 38 5.417 -7.814 -4.264 1.00 0.00 C ATOM 484 CE LYS A 38 5.468 -9.110 -3.469 1.00 0.00 C ATOM 485 NZ LYS A 38 6.679 -9.183 -2.605 1.00 0.00 N ATOM 0 H LYS A 38 6.656 -3.733 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 38 4.472 -4.120 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.470 -5.787 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.596 -6.212 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.877 -7.236 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.023 -6.182 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.988 -8.006 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.430 -7.444 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.575 -9.192 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.459 -9.957 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.677 -10.081 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.532 -9.131 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.675 -8.389 -1.933 1.00 0.00 H new ATOM 499 N LEU A 39 2.655 -3.933 -1.953 1.00 0.00 N ATOM 500 CA LEU A 39 1.551 -3.818 -1.007 1.00 0.00 C ATOM 501 C LEU A 39 0.573 -4.978 -1.167 1.00 0.00 C ATOM 502 O LEU A 39 0.358 -5.472 -2.274 1.00 0.00 O ATOM 503 CB LEU A 39 0.820 -2.489 -1.206 1.00 0.00 C ATOM 504 CG LEU A 39 0.163 -1.891 0.039 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.219 -1.390 1.011 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.787 -0.766 -0.347 1.00 0.00 C ATOM 0 H LEU A 39 2.410 -3.705 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 39 1.964 -3.852 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.530 -1.763 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.051 -2.630 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.414 -2.673 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.733 -0.968 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.859 -2.219 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.824 -0.623 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.245 -0.352 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.233 0.017 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.564 -1.156 -1.004 1.00 0.00 H new ATOM 518 N GLN A 40 -0.017 -5.405 -0.056 1.00 0.00 N ATOM 519 CA GLN A 40 -0.973 -6.506 -0.074 1.00 0.00 C ATOM 520 C GLN A 40 -2.031 -6.326 1.009 1.00 0.00 C ATOM 521 O GLN A 40 -1.711 -6.242 2.196 1.00 0.00 O ATOM 522 CB GLN A 40 -0.250 -7.840 0.120 1.00 0.00 C ATOM 523 CG GLN A 40 0.274 -8.442 -1.174 1.00 0.00 C ATOM 524 CD GLN A 40 1.035 -9.734 -0.951 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.262 -9.735 -0.851 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.309 -10.843 -0.872 1.00 0.00 N ATOM 0 H GLN A 40 0.150 -5.006 0.868 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.469 -6.507 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.584 -7.695 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.932 -8.548 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.562 -8.629 -1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.926 -7.721 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.706 -10.795 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.766 -11.742 -0.723 1.00 0.00 H new ATOM 535 N ILE A 41 -3.292 -6.267 0.594 1.00 0.00 N ATOM 536 CA ILE A 41 -4.397 -6.098 1.529 1.00 0.00 C ATOM 537 C ILE A 41 -5.401 -7.239 1.406 1.00 0.00 C ATOM 538 O ILE A 41 -5.753 -7.651 0.301 1.00 0.00 O ATOM 539 CB ILE A 41 -5.126 -4.760 1.302 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.714 -4.708 -0.109 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.176 -3.594 1.530 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.139 -5.207 -0.189 1.00 0.00 C ATOM 0 H ILE A 41 -3.574 -6.334 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.967 -6.103 2.531 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.944 -4.682 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.677 -3.681 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.091 -5.304 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.706 -2.656 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.801 -3.625 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.340 -3.665 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.490 -5.141 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.180 -6.244 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.775 -4.596 0.451 1.00 0.00 H new ATOM 554 N GLN A 42 -5.859 -7.743 2.547 1.00 0.00 N ATOM 555 CA GLN A 42 -6.824 -8.835 2.567 1.00 0.00 C ATOM 556 C GLN A 42 -8.243 -8.305 2.744 1.00 0.00 C ATOM 557 O GLN A 42 -8.578 -7.735 3.782 1.00 0.00 O ATOM 558 CB GLN A 42 -6.490 -9.819 3.690 1.00 0.00 C ATOM 559 CG GLN A 42 -7.140 -11.182 3.518 1.00 0.00 C ATOM 560 CD GLN A 42 -7.011 -12.050 4.754 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.972 -12.236 5.500 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.817 -12.588 4.977 1.00 0.00 N ATOM 0 H GLN A 42 -5.577 -7.412 3.470 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.767 -9.354 1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.409 -9.945 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.807 -9.392 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.195 -11.050 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.684 -11.693 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.048 -12.407 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.670 -13.182 5.793 1.00 0.00 H new ATOM 571 N VAL A 43 -9.073 -8.498 1.724 1.00 0.00 N ATOM 572 CA VAL A 43 -10.457 -8.040 1.768 1.00 0.00 C ATOM 573 C VAL A 43 -11.382 -9.135 2.287 1.00 0.00 C ATOM 574 O VAL A 43 -11.267 -10.296 1.896 1.00 0.00 O ATOM 575 CB VAL A 43 -10.942 -7.589 0.378 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.412 -7.198 0.426 1.00 0.00 C ATOM 577 CG2 VAL A 43 -10.093 -6.436 -0.135 1.00 0.00 C ATOM 0 H VAL A 43 -8.811 -8.968 0.857 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.488 -7.190 2.449 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.835 -8.425 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.737 -6.882 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.006 -8.054 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.547 -6.378 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.450 -6.131 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.166 -5.595 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.053 -6.755 -0.210 1.00 0.00 H new ATOM 587 N ASP A 44 -12.300 -8.756 3.170 1.00 0.00 N ATOM 588 CA ASP A 44 -13.247 -9.706 3.742 1.00 0.00 C ATOM 589 C ASP A 44 -14.496 -9.818 2.873 1.00 0.00 C ATOM 590 O ASP A 44 -14.576 -9.213 1.805 1.00 0.00 O ATOM 591 CB ASP A 44 -13.633 -9.282 5.160 1.00 0.00 C ATOM 592 CG ASP A 44 -13.974 -10.464 6.046 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.535 -11.589 5.728 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.678 -10.264 7.057 1.00 0.00 O ATOM 0 H ASP A 44 -12.408 -7.799 3.505 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.765 -10.683 3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.810 -8.723 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.488 -8.608 5.114 1.00 0.00 H new ATOM 599 N GLU A 45 -15.467 -10.597 3.340 1.00 0.00 N ATOM 600 CA GLU A 45 -16.711 -10.789 2.603 1.00 0.00 C ATOM 601 C GLU A 45 -17.479 -9.476 2.479 1.00 0.00 C ATOM 602 O GLU A 45 -18.206 -9.258 1.510 1.00 0.00 O ATOM 603 CB GLU A 45 -17.583 -11.839 3.296 1.00 0.00 C ATOM 604 CG GLU A 45 -17.943 -11.481 4.728 1.00 0.00 C ATOM 605 CD GLU A 45 -18.477 -12.666 5.509 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.223 -13.477 4.922 1.00 0.00 O ATOM 607 OE2 GLU A 45 -18.147 -12.783 6.708 1.00 0.00 O ATOM 0 H GLU A 45 -15.417 -11.104 4.223 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.460 -11.139 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.500 -11.974 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.060 -12.795 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.061 -11.086 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.690 -10.687 4.723 1.00 0.00 H new ATOM 614 N LYS A 46 -17.312 -8.604 3.468 1.00 0.00 N ATOM 615 CA LYS A 46 -17.987 -7.312 3.472 1.00 0.00 C ATOM 616 C LYS A 46 -17.293 -6.333 2.530 1.00 0.00 C ATOM 617 O LYS A 46 -17.907 -5.385 2.043 1.00 0.00 O ATOM 618 CB LYS A 46 -18.021 -6.735 4.889 1.00 0.00 C ATOM 619 CG LYS A 46 -18.749 -7.618 5.888 1.00 0.00 C ATOM 620 CD LYS A 46 -19.402 -6.797 6.986 1.00 0.00 C ATOM 621 CE LYS A 46 -20.453 -7.602 7.734 1.00 0.00 C ATOM 622 NZ LYS A 46 -21.087 -6.810 8.825 1.00 0.00 N ATOM 0 H LYS A 46 -16.714 -8.769 4.278 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.009 -7.463 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.999 -6.578 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.502 -5.757 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.508 -8.205 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.046 -8.325 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.641 -6.452 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.863 -5.909 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.220 -7.936 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.994 -8.497 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.797 -7.394 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.359 -6.513 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.547 -5.969 8.421 1.00 0.00 H new ATOM 636 N GLY A 47 -16.010 -6.571 2.276 1.00 0.00 N ATOM 637 CA GLY A 47 -15.255 -5.703 1.392 1.00 0.00 C ATOM 638 C GLY A 47 -14.409 -4.699 2.149 1.00 0.00 C ATOM 639 O GLY A 47 -14.105 -3.621 1.638 1.00 0.00 O ATOM 0 H GLY A 47 -15.480 -7.350 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.611 -6.310 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.943 -5.171 0.735 1.00 0.00 H new ATOM 643 N LYS A 48 -14.028 -5.051 3.372 1.00 0.00 N ATOM 644 CA LYS A 48 -13.213 -4.173 4.203 1.00 0.00 C ATOM 645 C LYS A 48 -11.811 -4.746 4.387 1.00 0.00 C ATOM 646 O LYS A 48 -11.645 -5.944 4.616 1.00 0.00 O ATOM 647 CB LYS A 48 -13.874 -3.969 5.568 1.00 0.00 C ATOM 648 CG LYS A 48 -13.242 -2.859 6.390 1.00 0.00 C ATOM 649 CD LYS A 48 -12.095 -3.379 7.240 1.00 0.00 C ATOM 650 CE LYS A 48 -12.602 -4.133 8.460 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.572 -4.206 9.533 1.00 0.00 N ATOM 0 H LYS A 48 -14.271 -5.939 3.810 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.131 -3.210 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.930 -3.744 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.822 -4.901 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.878 -2.075 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.997 -2.406 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.465 -4.036 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.471 -2.545 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.495 -3.641 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.895 -5.142 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.794 -4.995 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.636 -4.359 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.566 -3.315 10.070 1.00 0.00 H new ATOM 665 N ILE A 49 -10.806 -3.882 4.286 1.00 0.00 N ATOM 666 CA ILE A 49 -9.419 -4.302 4.443 1.00 0.00 C ATOM 667 C ILE A 49 -9.117 -4.666 5.893 1.00 0.00 C ATOM 668 O ILE A 49 -8.916 -3.791 6.735 1.00 0.00 O ATOM 669 CB ILE A 49 -8.443 -3.202 3.987 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.547 -2.992 2.475 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.018 -3.564 4.379 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.241 -1.576 2.039 1.00 0.00 C ATOM 0 H ILE A 49 -10.927 -2.887 4.096 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.281 -5.181 3.814 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.711 -2.270 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.861 -3.674 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.553 -3.255 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.339 -2.777 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.954 -3.669 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.739 -4.505 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.334 -1.501 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.943 -0.890 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.225 -1.316 2.335 1.00 0.00 H new ATOM 684 N VAL A 50 -9.083 -5.964 6.177 1.00 0.00 N ATOM 685 CA VAL A 50 -8.801 -6.445 7.524 1.00 0.00 C ATOM 686 C VAL A 50 -7.300 -6.567 7.761 1.00 0.00 C ATOM 687 O VAL A 50 -6.815 -6.323 8.866 1.00 0.00 O ATOM 688 CB VAL A 50 -9.463 -7.812 7.782 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.978 -7.680 7.785 1.00 0.00 C ATOM 690 CG2 VAL A 50 -9.011 -8.827 6.743 1.00 0.00 C ATOM 0 H VAL A 50 -9.247 -6.702 5.492 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.217 -5.712 8.215 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.151 -8.167 8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.428 -8.656 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.281 -6.987 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.312 -7.303 6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.488 -9.787 6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.292 -8.480 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.928 -8.943 6.794 1.00 0.00 H new ATOM 700 N ASP A 51 -6.570 -6.944 6.718 1.00 0.00 N ATOM 701 CA ASP A 51 -5.123 -7.096 6.812 1.00 0.00 C ATOM 702 C ASP A 51 -4.419 -6.270 5.740 1.00 0.00 C ATOM 703 O ASP A 51 -4.992 -5.978 4.691 1.00 0.00 O ATOM 704 CB ASP A 51 -4.734 -8.569 6.675 1.00 0.00 C ATOM 705 CG ASP A 51 -4.995 -9.357 7.943 1.00 0.00 C ATOM 706 OD1 ASP A 51 -4.209 -9.215 8.902 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.985 -10.118 7.976 1.00 0.00 O ATOM 0 H ASP A 51 -6.957 -7.150 5.797 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.807 -6.734 7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.293 -9.014 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.677 -8.640 6.417 1.00 0.00 H new ATOM 712 N ALA A 52 -3.174 -5.894 6.013 1.00 0.00 N ATOM 713 CA ALA A 52 -2.391 -5.102 5.073 1.00 0.00 C ATOM 714 C ALA A 52 -0.896 -5.317 5.285 1.00 0.00 C ATOM 715 O ALA A 52 -0.420 -5.358 6.419 1.00 0.00 O ATOM 716 CB ALA A 52 -2.739 -3.627 5.208 1.00 0.00 C ATOM 0 H ALA A 52 -2.686 -6.125 6.878 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.639 -5.432 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.147 -3.047 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.799 -3.483 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.521 -3.293 6.222 1.00 0.00 H new ATOM 722 N ARG A 53 -0.161 -5.454 4.186 1.00 0.00 N ATOM 723 CA ARG A 53 1.279 -5.667 4.252 1.00 0.00 C ATOM 724 C ARG A 53 2.029 -4.529 3.566 1.00 0.00 C ATOM 725 O ARG A 53 1.437 -3.730 2.840 1.00 0.00 O ATOM 726 CB ARG A 53 1.650 -7.001 3.602 1.00 0.00 C ATOM 727 CG ARG A 53 1.032 -8.207 4.291 1.00 0.00 C ATOM 728 CD ARG A 53 1.959 -9.411 4.244 1.00 0.00 C ATOM 729 NE ARG A 53 1.804 -10.173 3.009 1.00 0.00 N ATOM 730 CZ ARG A 53 2.766 -10.923 2.481 1.00 0.00 C ATOM 731 NH1 ARG A 53 3.946 -11.009 3.079 1.00 0.00 N ATOM 732 NH2 ARG A 53 2.548 -11.587 1.354 1.00 0.00 N ATOM 0 H ARG A 53 -0.540 -5.421 3.239 1.00 0.00 H new ATOM 0 HA ARG A 53 1.569 -5.690 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.334 -6.988 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.735 -7.108 3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.808 -7.959 5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.086 -8.456 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.992 -9.077 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.756 -10.058 5.097 1.00 0.00 H new ATOM 0 HE ARG A 53 0.908 -10.128 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.117 -10.499 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.683 -11.585 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.641 -11.523 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.287 -12.162 0.950 1.00 0.00 H new ATOM 746 N PHE A 54 3.335 -4.461 3.801 1.00 0.00 N ATOM 747 CA PHE A 54 4.166 -3.420 3.206 1.00 0.00 C ATOM 748 C PHE A 54 5.628 -3.856 3.153 1.00 0.00 C ATOM 749 O PHE A 54 6.256 -4.092 4.185 1.00 0.00 O ATOM 750 CB PHE A 54 4.038 -2.120 4.002 1.00 0.00 C ATOM 751 CG PHE A 54 5.097 -1.955 5.055 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.323 -1.392 4.741 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.865 -2.363 6.359 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.299 -1.240 5.708 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.837 -2.213 7.330 1.00 0.00 C ATOM 756 CZ PHE A 54 7.055 -1.650 7.005 1.00 0.00 C ATOM 0 H PHE A 54 3.841 -5.114 4.399 1.00 0.00 H new ATOM 0 HA PHE A 54 3.819 -3.250 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.086 -1.276 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.057 -2.089 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.519 -1.068 3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.914 -2.803 6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.252 -0.801 5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.644 -2.536 8.342 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.815 -1.530 7.763 1.00 0.00 H new ATOM 766 N LYS A 55 6.163 -3.960 1.941 1.00 0.00 N ATOM 767 CA LYS A 55 7.551 -4.366 1.750 1.00 0.00 C ATOM 768 C LYS A 55 8.245 -3.467 0.732 1.00 0.00 C ATOM 769 O LYS A 55 8.072 -3.628 -0.476 1.00 0.00 O ATOM 770 CB LYS A 55 7.618 -5.823 1.289 1.00 0.00 C ATOM 771 CG LYS A 55 9.034 -6.365 1.189 1.00 0.00 C ATOM 772 CD LYS A 55 9.683 -6.487 2.557 1.00 0.00 C ATOM 773 CE LYS A 55 9.113 -7.659 3.341 1.00 0.00 C ATOM 774 NZ LYS A 55 9.631 -8.964 2.843 1.00 0.00 N ATOM 0 H LYS A 55 5.657 -3.769 1.076 1.00 0.00 H new ATOM 0 HA LYS A 55 8.067 -4.269 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.049 -6.442 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.135 -5.910 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.017 -7.342 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.633 -5.707 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.759 -6.615 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.530 -5.564 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.364 -7.547 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.025 -7.649 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.314 -9.727 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.270 -9.137 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.671 -8.940 2.823 1.00 0.00 H new ATOM 788 N THR A 56 9.035 -2.519 1.228 1.00 0.00 N ATOM 789 CA THR A 56 9.756 -1.594 0.362 1.00 0.00 C ATOM 790 C THR A 56 11.249 -1.900 0.354 1.00 0.00 C ATOM 791 O THR A 56 11.811 -2.332 1.362 1.00 0.00 O ATOM 792 CB THR A 56 9.545 -0.133 0.801 1.00 0.00 C ATOM 793 OG1 THR A 56 8.169 0.086 1.132 1.00 0.00 O ATOM 794 CG2 THR A 56 9.967 0.829 -0.299 1.00 0.00 C ATOM 0 H THR A 56 9.192 -2.372 2.225 1.00 0.00 H new ATOM 0 HA THR A 56 9.356 -1.724 -0.643 1.00 0.00 H new ATOM 0 HB THR A 56 10.163 0.052 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.844 0.886 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.809 1.855 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.022 0.680 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.373 0.642 -1.193 1.00 0.00 H new ATOM 802 N PHE A 57 11.889 -1.674 -0.789 1.00 0.00 N ATOM 803 CA PHE A 57 13.318 -1.926 -0.928 1.00 0.00 C ATOM 804 C PHE A 57 14.008 -0.766 -1.639 1.00 0.00 C ATOM 805 O PHE A 57 13.845 -0.576 -2.844 1.00 0.00 O ATOM 806 CB PHE A 57 13.556 -3.226 -1.699 1.00 0.00 C ATOM 807 CG PHE A 57 12.911 -4.425 -1.065 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.400 -4.944 0.123 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.817 -5.034 -1.658 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.809 -6.047 0.709 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.222 -6.138 -1.077 1.00 0.00 C ATOM 812 CZ PHE A 57 11.719 -6.646 0.108 1.00 0.00 C ATOM 0 H PHE A 57 11.440 -1.317 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 57 13.743 -2.022 0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.175 -3.112 -2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.629 -3.400 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.253 -4.481 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.425 -4.642 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.199 -6.440 1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.369 -6.603 -1.549 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.256 -7.509 0.563 1.00 0.00 H new ATOM 822 N GLY A 58 14.781 0.009 -0.884 1.00 0.00 N ATOM 823 CA GLY A 58 15.484 1.142 -1.458 1.00 0.00 C ATOM 824 C GLY A 58 15.582 2.311 -0.498 1.00 0.00 C ATOM 825 O GLY A 58 15.805 2.124 0.699 1.00 0.00 O ATOM 0 H GLY A 58 14.933 -0.128 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.487 0.832 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.971 1.463 -2.365 1.00 0.00 H new ATOM 829 N CYS A 59 15.416 3.520 -1.022 1.00 0.00 N ATOM 830 CA CYS A 59 15.489 4.725 -0.205 1.00 0.00 C ATOM 831 C CYS A 59 14.621 4.589 1.043 1.00 0.00 C ATOM 832 O CYS A 59 13.797 3.681 1.143 1.00 0.00 O ATOM 833 CB CYS A 59 15.047 5.945 -1.016 1.00 0.00 C ATOM 834 SG CYS A 59 13.251 6.034 -1.306 1.00 0.00 S ATOM 0 H CYS A 59 15.230 3.692 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 59 16.525 4.860 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.365 6.848 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.559 5.934 -1.978 1.00 0.00 H new ATOM 0 HG CYS A 59 12.920 7.254 -1.608 1.00 0.00 H new ATOM 839 N GLY A 60 14.812 5.500 1.992 1.00 0.00 N ATOM 840 CA GLY A 60 14.040 5.465 3.221 1.00 0.00 C ATOM 841 C GLY A 60 12.636 6.007 3.039 1.00 0.00 C ATOM 842 O GLY A 60 11.656 5.300 3.271 1.00 0.00 O ATOM 0 H GLY A 60 15.488 6.262 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.986 4.438 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.554 6.046 3.986 1.00 0.00 H new ATOM 846 N SER A 61 12.539 7.266 2.624 1.00 0.00 N ATOM 847 CA SER A 61 11.244 7.905 2.417 1.00 0.00 C ATOM 848 C SER A 61 10.225 6.904 1.882 1.00 0.00 C ATOM 849 O SER A 61 9.051 6.939 2.252 1.00 0.00 O ATOM 850 CB SER A 61 11.381 9.079 1.446 1.00 0.00 C ATOM 851 OG SER A 61 12.400 8.836 0.492 1.00 0.00 O ATOM 0 H SER A 61 13.341 7.864 2.424 1.00 0.00 H new ATOM 0 HA SER A 61 10.891 8.278 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.433 9.245 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.608 9.989 2.001 1.00 0.00 H new ATOM 0 HG SER A 61 12.002 8.468 -0.325 1.00 0.00 H new ATOM 857 N ALA A 62 10.682 6.013 1.009 1.00 0.00 N ATOM 858 CA ALA A 62 9.811 5.001 0.424 1.00 0.00 C ATOM 859 C ALA A 62 9.304 4.032 1.486 1.00 0.00 C ATOM 860 O ALA A 62 8.114 3.716 1.534 1.00 0.00 O ATOM 861 CB ALA A 62 10.544 4.246 -0.675 1.00 0.00 C ATOM 0 H ALA A 62 11.650 5.971 0.691 1.00 0.00 H new ATOM 0 HA ALA A 62 8.948 5.507 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.882 3.493 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.851 4.944 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.425 3.759 -0.257 1.00 0.00 H new ATOM 867 N ILE A 63 10.212 3.564 2.335 1.00 0.00 N ATOM 868 CA ILE A 63 9.855 2.631 3.397 1.00 0.00 C ATOM 869 C ILE A 63 8.877 3.265 4.380 1.00 0.00 C ATOM 870 O ILE A 63 7.949 2.612 4.856 1.00 0.00 O ATOM 871 CB ILE A 63 11.100 2.152 4.167 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.026 1.360 3.241 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.690 1.307 5.364 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.438 1.227 3.767 1.00 0.00 C ATOM 0 H ILE A 63 11.200 3.815 2.309 1.00 0.00 H new ATOM 0 HA ILE A 63 9.381 1.774 2.918 1.00 0.00 H new ATOM 0 HB ILE A 63 11.642 3.025 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.609 0.365 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.055 1.847 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.581 0.976 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.066 1.901 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.129 0.438 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.037 0.654 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.874 2.218 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.421 0.713 4.728 1.00 0.00 H new ATOM 886 N ALA A 64 9.090 4.543 4.678 1.00 0.00 N ATOM 887 CA ALA A 64 8.225 5.267 5.600 1.00 0.00 C ATOM 888 C ALA A 64 6.832 5.461 5.009 1.00 0.00 C ATOM 889 O ALA A 64 5.852 4.915 5.514 1.00 0.00 O ATOM 890 CB ALA A 64 8.841 6.611 5.958 1.00 0.00 C ATOM 0 H ALA A 64 9.855 5.098 4.294 1.00 0.00 H new ATOM 0 HA ALA A 64 8.126 4.673 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.183 7.141 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.810 6.453 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.971 7.204 5.053 1.00 0.00 H new ATOM 896 N SER A 65 6.754 6.244 3.938 1.00 0.00 N ATOM 897 CA SER A 65 5.480 6.514 3.281 1.00 0.00 C ATOM 898 C SER A 65 4.648 5.241 3.165 1.00 0.00 C ATOM 899 O SER A 65 3.439 5.254 3.396 1.00 0.00 O ATOM 900 CB SER A 65 5.716 7.112 1.892 1.00 0.00 C ATOM 901 OG SER A 65 6.020 8.493 1.976 1.00 0.00 O ATOM 0 H SER A 65 7.557 6.702 3.507 1.00 0.00 H new ATOM 0 HA SER A 65 4.930 7.232 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.534 6.586 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.829 6.969 1.275 1.00 0.00 H new ATOM 0 HG SER A 65 6.168 8.851 1.076 1.00 0.00 H new ATOM 907 N SER A 66 5.304 4.143 2.805 1.00 0.00 N ATOM 908 CA SER A 66 4.625 2.861 2.655 1.00 0.00 C ATOM 909 C SER A 66 4.063 2.384 3.990 1.00 0.00 C ATOM 910 O SER A 66 2.848 2.315 4.176 1.00 0.00 O ATOM 911 CB SER A 66 5.587 1.814 2.090 1.00 0.00 C ATOM 912 OG SER A 66 6.745 1.697 2.897 1.00 0.00 O ATOM 0 H SER A 66 6.305 4.115 2.612 1.00 0.00 H new ATOM 0 HA SER A 66 3.796 2.996 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.084 0.849 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.874 2.089 1.075 1.00 0.00 H new ATOM 0 HG SER A 66 7.382 1.088 2.468 1.00 0.00 H new ATOM 918 N SER A 67 4.957 2.055 4.918 1.00 0.00 N ATOM 919 CA SER A 67 4.551 1.581 6.236 1.00 0.00 C ATOM 920 C SER A 67 3.322 2.336 6.731 1.00 0.00 C ATOM 921 O SER A 67 2.384 1.739 7.262 1.00 0.00 O ATOM 922 CB SER A 67 5.699 1.742 7.234 1.00 0.00 C ATOM 923 OG SER A 67 5.433 1.037 8.435 1.00 0.00 O ATOM 0 H SER A 67 5.966 2.108 4.781 1.00 0.00 H new ATOM 0 HA SER A 67 4.296 0.524 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.625 1.375 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.848 2.799 7.454 1.00 0.00 H new ATOM 0 HG SER A 67 5.604 0.082 8.298 1.00 0.00 H new ATOM 929 N LEU A 68 3.333 3.653 6.553 1.00 0.00 N ATOM 930 CA LEU A 68 2.219 4.492 6.981 1.00 0.00 C ATOM 931 C LEU A 68 0.980 4.226 6.132 1.00 0.00 C ATOM 932 O LEU A 68 -0.143 4.232 6.636 1.00 0.00 O ATOM 933 CB LEU A 68 2.605 5.969 6.892 1.00 0.00 C ATOM 934 CG LEU A 68 1.462 6.972 7.053 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.969 8.265 7.674 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.801 7.247 5.710 1.00 0.00 C ATOM 0 H LEU A 68 4.101 4.162 6.115 1.00 0.00 H new ATOM 0 HA LEU A 68 1.987 4.245 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.353 6.175 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.080 6.142 5.927 1.00 0.00 H new ATOM 0 HG LEU A 68 0.717 6.540 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.141 8.966 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.395 8.055 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.734 8.701 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.010 7.963 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.537 7.658 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.402 6.318 5.304 1.00 0.00 H new ATOM 948 N ALA A 69 1.192 3.993 4.841 1.00 0.00 N ATOM 949 CA ALA A 69 0.092 3.720 3.923 1.00 0.00 C ATOM 950 C ALA A 69 -0.584 2.395 4.255 1.00 0.00 C ATOM 951 O ALA A 69 -1.768 2.356 4.591 1.00 0.00 O ATOM 952 CB ALA A 69 0.593 3.715 2.487 1.00 0.00 C ATOM 0 H ALA A 69 2.115 3.988 4.407 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.648 4.512 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.238 3.510 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.023 4.688 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.354 2.944 2.370 1.00 0.00 H new ATOM 958 N THR A 70 0.175 1.307 4.158 1.00 0.00 N ATOM 959 CA THR A 70 -0.352 -0.021 4.445 1.00 0.00 C ATOM 960 C THR A 70 -1.187 -0.016 5.721 1.00 0.00 C ATOM 961 O THR A 70 -2.061 -0.864 5.903 1.00 0.00 O ATOM 962 CB THR A 70 0.780 -1.055 4.590 1.00 0.00 C ATOM 963 OG1 THR A 70 0.242 -2.381 4.544 1.00 0.00 O ATOM 964 CG2 THR A 70 1.533 -0.853 5.897 1.00 0.00 C ATOM 0 H THR A 70 1.157 1.320 3.883 1.00 0.00 H new ATOM 0 HA THR A 70 -0.983 -0.300 3.601 1.00 0.00 H new ATOM 0 HB THR A 70 1.476 -0.917 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.377 -2.758 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.328 -1.595 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.966 0.147 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.845 -0.966 6.735 1.00 0.00 H new ATOM 972 N GLU A 71 -0.914 0.943 6.599 1.00 0.00 N ATOM 973 CA GLU A 71 -1.641 1.056 7.857 1.00 0.00 C ATOM 974 C GLU A 71 -2.927 1.857 7.672 1.00 0.00 C ATOM 975 O GLU A 71 -3.932 1.600 8.336 1.00 0.00 O ATOM 976 CB GLU A 71 -0.764 1.719 8.922 1.00 0.00 C ATOM 977 CG GLU A 71 -1.535 2.171 10.150 1.00 0.00 C ATOM 978 CD GLU A 71 -0.677 2.198 11.400 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.395 1.558 11.397 1.00 0.00 O ATOM 980 OE2 GLU A 71 -1.078 2.858 12.382 1.00 0.00 O ATOM 0 H GLU A 71 -0.195 1.653 6.462 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.903 0.051 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.013 1.018 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.261 2.580 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.943 3.166 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.382 1.503 10.309 1.00 0.00 H new ATOM 987 N TRP A 72 -2.887 2.827 6.767 1.00 0.00 N ATOM 988 CA TRP A 72 -4.049 3.666 6.494 1.00 0.00 C ATOM 989 C TRP A 72 -5.185 2.845 5.895 1.00 0.00 C ATOM 990 O TRP A 72 -6.357 3.081 6.190 1.00 0.00 O ATOM 991 CB TRP A 72 -3.671 4.804 5.545 1.00 0.00 C ATOM 992 CG TRP A 72 -3.020 5.964 6.238 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.551 5.994 7.520 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.770 7.261 5.686 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.024 7.232 7.798 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.145 8.027 6.689 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.011 7.849 4.441 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.760 9.350 6.484 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.628 9.161 4.239 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.008 9.900 5.256 1.00 0.00 C ATOM 0 H TRP A 72 -2.063 3.053 6.209 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.390 4.089 7.439 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.995 4.421 4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.567 5.153 5.032 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.589 5.167 8.213 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.610 7.514 8.686 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.488 7.288 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.283 9.921 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.809 9.625 3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.720 10.924 5.067 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.832 1.879 5.054 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.823 1.021 4.414 1.00 0.00 C ATOM 1013 C VAL A 73 -6.489 0.100 5.430 1.00 0.00 C ATOM 1014 O VAL A 73 -7.645 -0.290 5.266 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.190 0.166 3.300 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.581 1.055 2.226 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.145 -0.775 3.880 1.00 0.00 C ATOM 0 H VAL A 73 -3.867 1.670 4.799 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.574 1.677 3.975 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.973 -0.437 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.138 0.434 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.358 1.684 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.810 1.685 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.708 -1.371 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.363 -0.194 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.615 -1.435 4.609 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.753 -0.244 6.481 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.272 -1.118 7.526 1.00 0.00 C ATOM 1029 C LYS A 74 -7.500 -0.503 8.190 1.00 0.00 C ATOM 1030 O LYS A 74 -7.505 0.677 8.537 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.193 -1.388 8.577 1.00 0.00 C ATOM 1032 CG LYS A 74 -4.036 -2.226 8.060 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.968 -2.418 9.123 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.630 -2.797 8.506 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.515 -2.680 9.486 1.00 0.00 N ATOM 0 H LYS A 74 -4.794 0.070 6.632 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.564 -2.061 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.807 -0.436 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.646 -1.895 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.406 -3.198 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.598 -1.744 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.857 -1.499 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.282 -3.195 9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.679 -3.820 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.430 -2.154 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.380 -2.947 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.452 -1.699 9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.693 -3.313 10.292 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.541 -1.312 8.364 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.760 -0.829 8.987 1.00 0.00 C ATOM 1051 C GLY A 75 -10.731 -0.242 7.983 1.00 0.00 C ATOM 1052 O GLY A 75 -11.947 -0.350 8.147 1.00 0.00 O ATOM 0 H GLY A 75 -8.562 -2.293 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.243 -1.650 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.509 -0.072 9.730 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.196 0.382 6.939 1.00 0.00 N ATOM 1057 CA LYS A 76 -11.023 0.989 5.903 1.00 0.00 C ATOM 1058 C LYS A 76 -11.367 -0.025 4.818 1.00 0.00 C ATOM 1059 O LYS A 76 -10.914 -1.170 4.856 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.302 2.189 5.285 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.954 3.274 6.289 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.021 4.312 5.688 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.364 5.161 6.765 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.362 5.960 7.528 1.00 0.00 N ATOM 0 H LYS A 76 -9.192 0.481 6.788 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.950 1.328 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.387 1.844 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.931 2.617 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.867 3.760 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.484 2.824 7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.253 3.813 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.580 4.954 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.815 4.516 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.637 5.831 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.870 6.563 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.904 6.557 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.010 5.319 8.029 1.00 0.00 H new ATOM 1078 N THR A 77 -12.170 0.402 3.848 1.00 0.00 N ATOM 1079 CA THR A 77 -12.575 -0.469 2.752 1.00 0.00 C ATOM 1080 C THR A 77 -11.822 -0.127 1.471 1.00 0.00 C ATOM 1081 O THR A 77 -11.237 0.949 1.352 1.00 0.00 O ATOM 1082 CB THR A 77 -14.089 -0.371 2.486 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.449 0.985 2.201 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.883 -0.870 3.684 1.00 0.00 C ATOM 0 H THR A 77 -12.553 1.346 3.800 1.00 0.00 H new ATOM 0 HA THR A 77 -12.332 -1.488 3.052 1.00 0.00 H new ATOM 0 HB THR A 77 -14.326 -0.998 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.413 1.039 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.949 -0.791 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.628 -1.911 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.641 -0.266 4.558 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.842 -1.049 0.514 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.163 -0.844 -0.759 1.00 0.00 C ATOM 1094 C VAL A 78 -11.480 0.531 -1.336 1.00 0.00 C ATOM 1095 O VAL A 78 -10.583 1.259 -1.760 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.556 -1.923 -1.786 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.143 -3.303 -1.296 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.051 -1.873 -2.064 1.00 0.00 C ATOM 0 H VAL A 78 -12.321 -1.946 0.597 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.093 -0.914 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.028 -1.722 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.429 -4.052 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.063 -3.330 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.641 -3.517 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.312 -2.642 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.599 -2.048 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.315 -0.893 -2.462 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.763 0.879 -1.350 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.199 2.167 -1.876 1.00 0.00 C ATOM 1110 C GLU A 79 -12.466 3.313 -1.184 1.00 0.00 C ATOM 1111 O GLU A 79 -11.982 4.237 -1.836 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.710 2.332 -1.697 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.524 1.231 -2.356 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.007 1.348 -2.063 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.473 2.475 -1.798 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.701 0.310 -2.099 1.00 0.00 O ATOM 0 H GLU A 79 -13.518 0.287 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.961 2.195 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.941 2.355 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.014 3.294 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.367 1.263 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.164 0.262 -2.010 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.390 3.245 0.142 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.718 4.277 0.922 1.00 0.00 C ATOM 1125 C GLU A 80 -10.260 4.421 0.493 1.00 0.00 C ATOM 1126 O GLU A 80 -9.767 5.531 0.295 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.791 3.949 2.415 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.210 3.783 2.932 1.00 0.00 C ATOM 1129 CD GLU A 80 -13.962 5.097 3.004 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.611 5.464 2.002 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -13.902 5.759 4.061 1.00 0.00 O ATOM 0 H GLU A 80 -12.785 2.486 0.698 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.228 5.223 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.234 3.031 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.299 4.742 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.751 3.094 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.181 3.331 3.923 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.577 3.290 0.352 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.177 3.289 -0.055 1.00 0.00 C ATOM 1140 C ALA A 81 -7.993 4.004 -1.390 1.00 0.00 C ATOM 1141 O ALA A 81 -6.980 4.668 -1.615 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.654 1.863 -0.141 1.00 0.00 C ATOM 0 H ALA A 81 -9.970 2.363 0.514 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.604 3.830 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.608 1.877 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.741 1.384 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.238 1.305 -0.873 1.00 0.00 H new ATOM 1148 N LEU A 82 -8.976 3.863 -2.272 1.00 0.00 N ATOM 1149 CA LEU A 82 -8.922 4.495 -3.585 1.00 0.00 C ATOM 1150 C LEU A 82 -8.886 6.015 -3.457 1.00 0.00 C ATOM 1151 O LEU A 82 -8.342 6.709 -4.317 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.127 4.072 -4.427 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.929 2.839 -5.309 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.804 3.070 -6.305 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.644 1.612 -4.455 1.00 0.00 C ATOM 0 H LEU A 82 -9.820 3.316 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.008 4.168 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.965 3.884 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.411 4.909 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.849 2.663 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.678 2.182 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.049 3.922 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.878 3.272 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.506 0.744 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.739 1.778 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.483 1.434 -3.782 1.00 0.00 H new ATOM 1167 N THR A 83 -9.467 6.527 -2.376 1.00 0.00 N ATOM 1168 CA THR A 83 -9.501 7.964 -2.135 1.00 0.00 C ATOM 1169 C THR A 83 -8.166 8.461 -1.593 1.00 0.00 C ATOM 1170 O THR A 83 -7.786 9.612 -1.813 1.00 0.00 O ATOM 1171 CB THR A 83 -10.617 8.340 -1.142 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.257 7.927 0.180 1.00 0.00 O ATOM 1173 CG2 THR A 83 -11.935 7.694 -1.540 1.00 0.00 C ATOM 0 H THR A 83 -9.920 5.967 -1.654 1.00 0.00 H new ATOM 0 HA THR A 83 -9.702 8.442 -3.094 1.00 0.00 H new ATOM 0 HB THR A 83 -10.741 9.423 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.666 7.147 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.708 7.974 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.221 8.035 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.822 6.610 -1.546 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.458 7.589 -0.884 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.164 7.940 -0.312 1.00 0.00 C ATOM 1183 C ILE A 84 -5.227 8.503 -1.376 1.00 0.00 C ATOM 1184 O ILE A 84 -4.778 7.782 -2.267 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.494 6.724 0.354 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.379 6.177 1.476 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.122 7.104 0.892 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.858 4.896 2.087 1.00 0.00 C ATOM 0 H ILE A 84 -7.759 6.634 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.350 8.702 0.445 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.366 5.943 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.469 6.932 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.381 6.002 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.661 6.234 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.493 7.451 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.228 7.899 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.535 4.567 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.794 4.126 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.868 5.070 2.509 1.00 0.00 H new ATOM 1200 N LYS A 85 -4.936 9.795 -1.276 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.050 10.456 -2.227 1.00 0.00 C ATOM 1202 C LYS A 85 -2.604 10.414 -1.744 1.00 0.00 C ATOM 1203 O LYS A 85 -2.310 9.864 -0.683 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.486 11.907 -2.438 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.909 12.046 -2.952 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.558 13.328 -2.457 1.00 0.00 C ATOM 1207 CE LYS A 85 -6.945 13.226 -0.989 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.060 12.262 -0.776 1.00 0.00 N ATOM 0 H LYS A 85 -5.301 10.406 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.113 9.922 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.395 12.446 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.805 12.383 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.906 12.036 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.499 11.189 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.870 14.162 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.444 13.542 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.079 12.914 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.239 14.209 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.329 12.258 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.878 12.545 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.753 11.309 -1.056 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.705 11.000 -2.528 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.289 11.030 -2.179 1.00 0.00 C ATOM 1224 C ASN A 86 0.052 12.297 -1.401 1.00 0.00 C ATOM 1225 O ASN A 86 0.857 12.270 -0.470 1.00 0.00 O ATOM 1226 CB ASN A 86 0.571 10.945 -3.441 1.00 0.00 C ATOM 1227 CG ASN A 86 0.519 12.219 -4.263 1.00 0.00 C ATOM 1228 OD1 ASN A 86 0.954 13.279 -3.814 1.00 0.00 O ATOM 1229 ND2 ASN A 86 -0.016 12.119 -5.474 1.00 0.00 N ATOM 0 H ASN A 86 -1.932 11.461 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.078 10.168 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.604 10.739 -3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.233 10.108 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.079 12.942 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.364 11.219 -5.805 1.00 0.00 H new ATOM 1236 N THR A 87 -0.565 13.408 -1.790 1.00 0.00 N ATOM 1237 CA THR A 87 -0.327 14.686 -1.131 1.00 0.00 C ATOM 1238 C THR A 87 -0.337 14.533 0.386 1.00 0.00 C ATOM 1239 O THR A 87 0.632 14.882 1.061 1.00 0.00 O ATOM 1240 CB THR A 87 -1.382 15.733 -1.537 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.691 15.272 -1.182 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.323 16.009 -3.031 1.00 0.00 C ATOM 0 H THR A 87 -1.234 13.449 -2.559 1.00 0.00 H new ATOM 0 HA THR A 87 0.657 15.029 -1.452 1.00 0.00 H new ATOM 0 HB THR A 87 -1.167 16.659 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.356 15.944 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.077 16.751 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.335 16.387 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.515 15.087 -3.579 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.436 14.008 0.915 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.571 13.807 2.353 1.00 0.00 C ATOM 1252 C ASP A 88 -0.356 13.076 2.916 1.00 0.00 C ATOM 1253 O ASP A 88 0.356 13.603 3.771 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.845 13.018 2.662 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.103 13.815 2.378 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.504 13.888 1.198 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.686 14.366 3.335 1.00 0.00 O ATOM 0 H ASP A 88 -2.246 13.714 0.370 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.635 14.786 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.856 12.104 2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.838 12.717 3.710 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.127 11.860 2.431 1.00 0.00 N ATOM 1263 CA ILE A 89 1.002 11.057 2.886 1.00 0.00 C ATOM 1264 C ILE A 89 2.282 11.884 2.930 1.00 0.00 C ATOM 1265 O ILE A 89 2.875 12.072 3.992 1.00 0.00 O ATOM 1266 CB ILE A 89 1.225 9.834 1.977 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.034 8.965 1.936 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.419 9.025 2.462 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.012 7.886 0.877 1.00 0.00 C ATOM 0 H ILE A 89 -0.708 11.410 1.724 1.00 0.00 H new ATOM 0 HA ILE A 89 0.760 10.713 3.892 1.00 0.00 H new ATOM 0 HB ILE A 89 1.434 10.184 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.177 8.500 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.900 9.602 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.564 8.164 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.313 9.649 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.237 8.682 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.912 7.309 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.124 8.345 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.858 7.225 1.067 1.00 0.00 H new ATOM 1281 N ALA A 90 2.702 12.378 1.770 1.00 0.00 N ATOM 1282 CA ALA A 90 3.909 13.189 1.677 1.00 0.00 C ATOM 1283 C ALA A 90 3.965 14.222 2.797 1.00 0.00 C ATOM 1284 O ALA A 90 5.020 14.459 3.386 1.00 0.00 O ATOM 1285 CB ALA A 90 3.982 13.874 0.320 1.00 0.00 C ATOM 0 H ALA A 90 2.224 12.230 0.881 1.00 0.00 H new ATOM 0 HA ALA A 90 4.769 12.528 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.889 14.476 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.998 13.121 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.111 14.516 0.189 1.00 0.00 H new ATOM 1291 N LYS A 91 2.823 14.836 3.086 1.00 0.00 N ATOM 1292 CA LYS A 91 2.740 15.844 4.137 1.00 0.00 C ATOM 1293 C LYS A 91 2.893 15.208 5.515 1.00 0.00 C ATOM 1294 O LYS A 91 3.541 15.769 6.398 1.00 0.00 O ATOM 1295 CB LYS A 91 1.406 16.590 4.053 1.00 0.00 C ATOM 1296 CG LYS A 91 1.437 17.966 4.695 1.00 0.00 C ATOM 1297 CD LYS A 91 0.047 18.575 4.775 1.00 0.00 C ATOM 1298 CE LYS A 91 0.074 19.937 5.450 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.231 20.265 6.089 1.00 0.00 N ATOM 0 H LYS A 91 1.941 14.653 2.607 1.00 0.00 H new ATOM 0 HA LYS A 91 3.555 16.552 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.122 16.693 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.633 15.991 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.861 17.892 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.090 18.622 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.367 18.673 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.613 17.907 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.862 19.954 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.321 20.702 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.172 21.201 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.979 20.274 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.455 19.549 6.809 1.00 0.00 H new ATOM 1313 N GLU A 92 2.295 14.034 5.690 1.00 0.00 N ATOM 1314 CA GLU A 92 2.367 13.323 6.961 1.00 0.00 C ATOM 1315 C GLU A 92 3.813 12.998 7.321 1.00 0.00 C ATOM 1316 O GLU A 92 4.239 13.189 8.461 1.00 0.00 O ATOM 1317 CB GLU A 92 1.543 12.035 6.897 1.00 0.00 C ATOM 1318 CG GLU A 92 1.031 11.572 8.251 1.00 0.00 C ATOM 1319 CD GLU A 92 0.307 12.669 9.007 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.677 13.213 8.462 1.00 0.00 O ATOM 1321 OE2 GLU A 92 0.722 12.982 10.141 1.00 0.00 O ATOM 0 H GLU A 92 1.756 13.555 4.968 1.00 0.00 H new ATOM 0 HA GLU A 92 1.955 13.971 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.694 12.189 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.153 11.245 6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.357 10.727 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.869 11.215 8.850 1.00 0.00 H new ATOM 1328 N LEU A 93 4.564 12.504 6.342 1.00 0.00 N ATOM 1329 CA LEU A 93 5.963 12.151 6.555 1.00 0.00 C ATOM 1330 C LEU A 93 6.854 13.387 6.484 1.00 0.00 C ATOM 1331 O LEU A 93 7.964 13.395 7.017 1.00 0.00 O ATOM 1332 CB LEU A 93 6.414 11.123 5.515 1.00 0.00 C ATOM 1333 CG LEU A 93 5.766 9.741 5.612 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.574 9.343 7.067 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.436 9.723 4.873 1.00 0.00 C ATOM 0 H LEU A 93 4.227 12.339 5.393 1.00 0.00 H new ATOM 0 HA LEU A 93 6.055 11.717 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.213 11.527 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.494 11.002 5.597 1.00 0.00 H new ATOM 0 HG LEU A 93 6.430 9.015 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.112 8.357 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.542 9.316 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.930 10.071 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.989 8.732 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.765 10.460 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.600 9.964 3.823 1.00 0.00 H new ATOM 1347 N CYS A 94 6.359 14.429 5.826 1.00 0.00 N ATOM 1348 CA CYS A 94 7.109 15.672 5.686 1.00 0.00 C ATOM 1349 C CYS A 94 8.367 15.457 4.850 1.00 0.00 C ATOM 1350 O CYS A 94 9.474 15.782 5.280 1.00 0.00 O ATOM 1351 CB CYS A 94 7.485 16.222 7.063 1.00 0.00 C ATOM 1352 SG CYS A 94 6.072 16.513 8.153 1.00 0.00 S ATOM 0 H CYS A 94 5.441 14.438 5.381 1.00 0.00 H new ATOM 0 HA CYS A 94 6.474 16.395 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.166 15.523 7.548 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.028 17.158 6.933 1.00 0.00 H new ATOM 0 HG CYS A 94 4.971 16.236 7.520 1.00 0.00 H new ATOM 1358 N LEU A 95 8.189 14.906 3.654 1.00 0.00 N ATOM 1359 CA LEU A 95 9.309 14.646 2.757 1.00 0.00 C ATOM 1360 C LEU A 95 9.499 15.797 1.775 1.00 0.00 C ATOM 1361 O LEU A 95 8.563 16.528 1.448 1.00 0.00 O ATOM 1362 CB LEU A 95 9.083 13.340 1.993 1.00 0.00 C ATOM 1363 CG LEU A 95 7.793 13.255 1.177 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.025 13.749 -0.242 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.262 11.829 1.167 1.00 0.00 C ATOM 0 H LEU A 95 7.279 14.631 3.283 1.00 0.00 H new ATOM 0 HA LEU A 95 10.212 14.555 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.926 13.186 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.092 12.518 2.708 1.00 0.00 H new ATOM 0 HG LEU A 95 7.047 13.897 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.096 13.681 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.359 14.786 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.787 13.134 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.343 11.787 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.006 11.167 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.056 11.510 2.189 1.00 0.00 H new ATOM 1377 N PRO A 96 10.739 15.964 1.290 1.00 0.00 N ATOM 1378 CA PRO A 96 11.080 17.023 0.336 1.00 0.00 C ATOM 1379 C PRO A 96 10.469 16.782 -1.040 1.00 0.00 C ATOM 1380 O PRO A 96 9.934 15.712 -1.330 1.00 0.00 O ATOM 1381 CB PRO A 96 12.607 16.955 0.262 1.00 0.00 C ATOM 1382 CG PRO A 96 12.943 15.552 0.636 1.00 0.00 C ATOM 1383 CD PRO A 96 11.902 15.130 1.636 1.00 0.00 C ATOM 0 HA PRO A 96 10.697 17.994 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.966 17.194 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.069 17.668 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.931 14.901 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.943 15.491 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.673 14.067 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.233 15.307 2.659 1.00 0.00 H new ATOM 1391 N PRO A 97 10.548 17.800 -1.910 1.00 0.00 N ATOM 1392 CA PRO A 97 10.009 17.722 -3.271 1.00 0.00 C ATOM 1393 C PRO A 97 10.807 16.773 -4.158 1.00 0.00 C ATOM 1394 O PRO A 97 10.372 16.416 -5.252 1.00 0.00 O ATOM 1395 CB PRO A 97 10.129 19.160 -3.783 1.00 0.00 C ATOM 1396 CG PRO A 97 11.239 19.754 -2.987 1.00 0.00 C ATOM 1397 CD PRO A 97 11.172 19.105 -1.632 1.00 0.00 C ATOM 0 HA PRO A 97 8.991 17.333 -3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.351 19.183 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.199 19.711 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.202 19.568 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.127 20.835 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.162 18.991 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.578 19.694 -0.933 1.00 0.00 H new ATOM 1405 N VAL A 98 11.979 16.366 -3.678 1.00 0.00 N ATOM 1406 CA VAL A 98 12.837 15.457 -4.427 1.00 0.00 C ATOM 1407 C VAL A 98 12.439 14.004 -4.190 1.00 0.00 C ATOM 1408 O VAL A 98 12.602 13.153 -5.065 1.00 0.00 O ATOM 1409 CB VAL A 98 14.318 15.640 -4.044 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.499 15.525 -2.538 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.186 14.625 -4.772 1.00 0.00 C ATOM 0 H VAL A 98 12.355 16.652 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 98 12.709 15.699 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 98 14.633 16.638 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.551 15.657 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.908 16.294 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.167 14.541 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.229 14.769 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 98 14.872 13.617 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.080 14.761 -5.848 1.00 0.00 H new ATOM 1421 N LYS A 99 11.915 13.727 -3.001 1.00 0.00 N ATOM 1422 CA LYS A 99 11.490 12.378 -2.647 1.00 0.00 C ATOM 1423 C LYS A 99 10.000 12.189 -2.912 1.00 0.00 C ATOM 1424 O LYS A 99 9.370 11.287 -2.359 1.00 0.00 O ATOM 1425 CB LYS A 99 11.797 12.093 -1.175 1.00 0.00 C ATOM 1426 CG LYS A 99 13.274 12.181 -0.834 1.00 0.00 C ATOM 1427 CD LYS A 99 14.078 11.112 -1.556 1.00 0.00 C ATOM 1428 CE LYS A 99 15.573 11.312 -1.361 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.088 12.461 -2.157 1.00 0.00 N ATOM 0 H LYS A 99 11.774 14.420 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 99 12.044 11.675 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.247 12.800 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.433 11.097 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.653 13.167 -1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.407 12.073 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.790 10.128 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.843 11.135 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.782 11.480 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.102 10.404 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.826 12.128 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.309 12.883 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.489 13.175 -1.516 1.00 0.00 H new ATOM 1443 N LEU A 100 9.442 13.045 -3.762 1.00 0.00 N ATOM 1444 CA LEU A 100 8.025 12.972 -4.101 1.00 0.00 C ATOM 1445 C LEU A 100 7.671 11.600 -4.667 1.00 0.00 C ATOM 1446 O LEU A 100 6.641 11.021 -4.319 1.00 0.00 O ATOM 1447 CB LEU A 100 7.666 14.062 -5.113 1.00 0.00 C ATOM 1448 CG LEU A 100 7.234 15.406 -4.527 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.122 16.455 -5.622 1.00 0.00 C ATOM 1450 CD2 LEU A 100 5.913 15.264 -3.784 1.00 0.00 C ATOM 0 H LEU A 100 9.949 13.797 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 100 7.449 13.128 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.529 14.230 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.862 13.690 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 100 7.994 15.732 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.813 17.405 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.089 16.577 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.383 16.136 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.621 16.230 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.144 14.915 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.027 14.545 -2.973 1.00 0.00 H new ATOM 1462 N HIS A 101 8.532 11.085 -5.539 1.00 0.00 N ATOM 1463 CA HIS A 101 8.311 9.780 -6.151 1.00 0.00 C ATOM 1464 C HIS A 101 7.752 8.790 -5.133 1.00 0.00 C ATOM 1465 O HIS A 101 6.894 7.969 -5.457 1.00 0.00 O ATOM 1466 CB HIS A 101 9.615 9.242 -6.740 1.00 0.00 C ATOM 1467 CG HIS A 101 10.620 8.842 -5.704 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.260 9.749 -4.886 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.093 7.623 -5.353 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.085 9.106 -4.079 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.002 7.814 -4.341 1.00 0.00 N ATOM 0 H HIS A 101 9.389 11.551 -5.837 1.00 0.00 H new ATOM 0 HA HIS A 101 7.582 9.901 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.392 8.381 -7.369 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.054 10.003 -7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.808 6.676 -5.788 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.719 9.560 -3.332 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.527 7.078 -3.869 1.00 0.00 H new ATOM 1479 N CYS A 102 8.246 8.873 -3.902 1.00 0.00 N ATOM 1480 CA CYS A 102 7.797 7.984 -2.837 1.00 0.00 C ATOM 1481 C CYS A 102 6.336 8.249 -2.486 1.00 0.00 C ATOM 1482 O CYS A 102 5.498 7.349 -2.553 1.00 0.00 O ATOM 1483 CB CYS A 102 8.672 8.159 -1.595 1.00 0.00 C ATOM 1484 SG CYS A 102 10.400 7.686 -1.837 1.00 0.00 S ATOM 0 H CYS A 102 8.957 9.547 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 102 7.886 6.958 -3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.633 9.202 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.254 7.565 -0.783 1.00 0.00 H new ATOM 0 HG CYS A 102 10.618 7.471 -3.100 1.00 0.00 H new ATOM 1490 N SER A 103 6.039 9.489 -2.112 1.00 0.00 N ATOM 1491 CA SER A 103 4.680 9.872 -1.745 1.00 0.00 C ATOM 1492 C SER A 103 3.668 9.285 -2.724 1.00 0.00 C ATOM 1493 O SER A 103 2.623 8.774 -2.321 1.00 0.00 O ATOM 1494 CB SER A 103 4.549 11.395 -1.710 1.00 0.00 C ATOM 1495 OG SER A 103 4.388 11.923 -3.015 1.00 0.00 O ATOM 0 H SER A 103 6.721 10.246 -2.055 1.00 0.00 H new ATOM 0 HA SER A 103 4.472 9.474 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.695 11.676 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.435 11.829 -1.245 1.00 0.00 H new ATOM 0 HG SER A 103 5.150 11.658 -3.571 1.00 0.00 H new ATOM 1501 N MET A 104 3.986 9.362 -4.012 1.00 0.00 N ATOM 1502 CA MET A 104 3.105 8.838 -5.049 1.00 0.00 C ATOM 1503 C MET A 104 3.170 7.315 -5.099 1.00 0.00 C ATOM 1504 O MET A 104 2.145 6.644 -5.233 1.00 0.00 O ATOM 1505 CB MET A 104 3.483 9.421 -6.412 1.00 0.00 C ATOM 1506 CG MET A 104 4.936 9.187 -6.791 1.00 0.00 C ATOM 1507 SD MET A 104 5.360 9.900 -8.392 1.00 0.00 S ATOM 1508 CE MET A 104 5.119 11.643 -8.060 1.00 0.00 C ATOM 0 H MET A 104 4.847 9.782 -4.362 1.00 0.00 H new ATOM 0 HA MET A 104 2.084 9.133 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.842 8.982 -7.176 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.285 10.493 -6.407 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.581 9.616 -6.024 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.134 8.115 -6.811 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.676 12.233 -8.788 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.058 11.884 -8.133 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.476 11.875 -7.056 1.00 0.00 H new ATOM 1518 N LEU A 105 4.378 6.775 -4.990 1.00 0.00 N ATOM 1519 CA LEU A 105 4.577 5.330 -5.022 1.00 0.00 C ATOM 1520 C LEU A 105 3.611 4.626 -4.074 1.00 0.00 C ATOM 1521 O LEU A 105 3.026 3.600 -4.417 1.00 0.00 O ATOM 1522 CB LEU A 105 6.019 4.985 -4.648 1.00 0.00 C ATOM 1523 CG LEU A 105 6.508 3.598 -5.067 1.00 0.00 C ATOM 1524 CD1 LEU A 105 7.004 3.619 -6.505 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.604 3.112 -4.130 1.00 0.00 C ATOM 0 H LEU A 105 5.236 7.316 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 105 4.379 4.983 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.677 5.730 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.124 5.074 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 105 5.670 2.904 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.348 2.624 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.192 3.922 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.828 4.327 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.939 2.124 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.443 3.807 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.215 3.057 -3.113 1.00 0.00 H new ATOM 1537 N ALA A 106 3.448 5.187 -2.880 1.00 0.00 N ATOM 1538 CA ALA A 106 2.551 4.616 -1.884 1.00 0.00 C ATOM 1539 C ALA A 106 1.115 4.580 -2.395 1.00 0.00 C ATOM 1540 O ALA A 106 0.409 3.587 -2.222 1.00 0.00 O ATOM 1541 CB ALA A 106 2.631 5.406 -0.586 1.00 0.00 C ATOM 0 H ALA A 106 3.926 6.037 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 106 2.867 3.591 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.956 4.968 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.651 5.376 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.343 6.441 -0.772 1.00 0.00 H new ATOM 1547 N GLU A 107 0.688 5.671 -3.025 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.665 5.763 -3.560 1.00 0.00 C ATOM 1549 C GLU A 107 -0.903 4.698 -4.626 1.00 0.00 C ATOM 1550 O GLU A 107 -1.882 3.953 -4.568 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.911 7.154 -4.149 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.273 7.304 -4.806 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.288 8.377 -5.877 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.459 9.308 -5.798 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.129 8.285 -6.796 1.00 0.00 O ATOM 0 H GLU A 107 1.259 6.502 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.364 5.594 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.815 7.897 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.136 7.370 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.567 6.351 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.015 7.545 -4.045 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.001 4.632 -5.599 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.111 3.658 -6.679 1.00 0.00 C ATOM 1564 C ASP A 108 -0.218 2.241 -6.125 1.00 0.00 C ATOM 1565 O ASP A 108 -1.036 1.445 -6.583 1.00 0.00 O ATOM 1566 CB ASP A 108 1.095 3.764 -7.614 1.00 0.00 C ATOM 1567 CG ASP A 108 1.522 5.199 -7.849 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.658 6.098 -7.761 1.00 0.00 O ATOM 1569 OD2 ASP A 108 2.720 5.425 -8.119 1.00 0.00 O ATOM 0 H ASP A 108 0.815 5.241 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.018 3.877 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.929 3.205 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.852 3.299 -8.570 1.00 0.00 H new ATOM 1574 N ALA A 109 0.616 1.934 -5.136 1.00 0.00 N ATOM 1575 CA ALA A 109 0.614 0.614 -4.518 1.00 0.00 C ATOM 1576 C ALA A 109 -0.766 0.265 -3.972 1.00 0.00 C ATOM 1577 O ALA A 109 -1.290 -0.819 -4.230 1.00 0.00 O ATOM 1578 CB ALA A 109 1.655 0.548 -3.410 1.00 0.00 C ATOM 0 H ALA A 109 1.301 2.581 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 109 0.868 -0.119 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.642 -0.444 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.643 0.744 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.426 1.296 -2.651 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.349 1.189 -3.216 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.669 0.978 -2.634 1.00 0.00 C ATOM 1586 C ILE A 110 -3.693 0.624 -3.707 1.00 0.00 C ATOM 1587 O ILE A 110 -4.283 -0.456 -3.685 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.153 2.225 -1.871 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.166 2.583 -0.757 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.543 1.989 -1.299 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.281 4.016 -0.286 1.00 0.00 C ATOM 0 H ILE A 110 -0.928 2.091 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.576 0.147 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.205 3.062 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.329 1.916 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.151 2.406 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.872 2.879 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.239 1.777 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.515 1.142 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.552 4.199 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.089 4.690 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.285 4.193 0.099 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.897 1.540 -4.647 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.847 1.325 -5.732 1.00 0.00 C ATOM 1605 C LYS A 111 -4.638 -0.043 -6.375 1.00 0.00 C ATOM 1606 O LYS A 111 -5.568 -0.844 -6.468 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.705 2.423 -6.788 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.521 3.668 -6.485 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.747 4.644 -5.616 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.619 5.811 -5.176 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.747 6.841 -6.244 1.00 0.00 N ATOM 0 H LYS A 111 -3.417 2.439 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.853 1.361 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.654 2.700 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.010 2.026 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.803 4.155 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.445 3.385 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.362 4.125 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.885 5.020 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.609 5.443 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.193 6.266 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.453 7.550 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.828 7.306 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.049 6.387 -7.130 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.412 -0.304 -6.815 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.081 -1.576 -7.446 1.00 0.00 C ATOM 1627 C ALA A 112 -3.637 -2.747 -6.643 1.00 0.00 C ATOM 1628 O ALA A 112 -4.201 -3.685 -7.206 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.574 -1.710 -7.604 1.00 0.00 C ATOM 0 H ALA A 112 -2.631 0.348 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.542 -1.595 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.341 -2.664 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.200 -0.897 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.100 -1.665 -6.623 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.473 -2.687 -5.326 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.959 -3.742 -4.446 1.00 0.00 C ATOM 1637 C ALA A 113 -5.443 -4.008 -4.677 1.00 0.00 C ATOM 1638 O ALA A 113 -5.822 -5.052 -5.212 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.707 -3.375 -2.991 1.00 0.00 C ATOM 0 H ALA A 113 -3.007 -1.918 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.412 -4.656 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.075 -4.172 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.637 -3.242 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.228 -2.447 -2.754 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.280 -3.060 -4.270 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.723 -3.192 -4.432 1.00 0.00 C ATOM 1647 C LEU A 114 -8.072 -3.674 -5.837 1.00 0.00 C ATOM 1648 O LEU A 114 -8.719 -4.706 -6.007 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.412 -1.855 -4.153 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.025 -1.160 -2.848 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.731 -2.185 -1.764 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.824 -0.251 -3.064 1.00 0.00 C ATOM 0 H LEU A 114 -5.984 -2.191 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.078 -3.933 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.196 -1.178 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.490 -2.018 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.866 -0.548 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.457 -1.672 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.617 -2.795 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.907 -2.824 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.562 0.236 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.978 -0.843 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.070 0.506 -3.809 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.636 -2.919 -6.841 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.898 -3.271 -8.230 1.00 0.00 C ATOM 1666 C ALA A 115 -7.724 -4.769 -8.460 1.00 0.00 C ATOM 1667 O ALA A 115 -8.695 -5.487 -8.701 1.00 0.00 O ATOM 1668 CB ALA A 115 -6.983 -2.484 -9.156 1.00 0.00 C ATOM 0 H ALA A 115 -7.100 -2.060 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.933 -3.013 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.190 -2.757 -10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.159 -1.417 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.944 -2.713 -8.921 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.482 -5.234 -8.384 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.181 -6.646 -8.583 1.00 0.00 C ATOM 1676 C ASP A 116 -7.234 -7.526 -7.916 1.00 0.00 C ATOM 1677 O ASP A 116 -7.750 -8.463 -8.524 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.795 -6.978 -8.027 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.555 -8.471 -7.921 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -5.168 -9.110 -7.040 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.756 -9.001 -8.720 1.00 0.00 O ATOM 0 H ASP A 116 -5.667 -4.653 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.192 -6.846 -9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.034 -6.536 -8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.684 -6.524 -7.042 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.546 -7.218 -6.662 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.535 -7.982 -5.911 1.00 0.00 C ATOM 1688 C TYR A 117 -9.879 -7.992 -6.632 1.00 0.00 C ATOM 1689 O TYR A 117 -10.524 -9.033 -6.755 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.701 -7.399 -4.507 1.00 0.00 C ATOM 1691 CG TYR A 117 -10.082 -7.606 -3.925 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.416 -8.791 -3.283 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.051 -6.614 -4.017 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.677 -8.985 -2.751 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.313 -6.798 -3.486 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.621 -7.985 -2.855 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.877 -8.173 -2.325 1.00 0.00 O ATOM 0 H TYR A 117 -7.128 -6.445 -6.144 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.179 -9.009 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.965 -7.854 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.485 -6.331 -4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.678 -9.575 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.813 -5.684 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.921 -9.914 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.054 -6.017 -3.565 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.421 -7.373 -2.482 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.295 -6.824 -7.109 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.561 -6.695 -7.821 1.00 0.00 C ATOM 1709 C LYS A 118 -11.557 -7.532 -9.096 1.00 0.00 C ATOM 1710 O LYS A 118 -12.510 -8.261 -9.376 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.830 -5.227 -8.163 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.185 -4.376 -6.956 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.864 -2.910 -7.194 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.532 -2.194 -5.894 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.745 -1.617 -5.253 1.00 0.00 N ATOM 0 H LYS A 118 -9.774 -5.952 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.354 -7.062 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.947 -4.808 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.644 -5.174 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.246 -4.485 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.637 -4.733 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.022 -2.828 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.714 -2.423 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.055 -2.893 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.812 -1.399 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.461 -0.998 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.278 -1.064 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.344 -2.385 -4.889 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.479 -7.425 -9.865 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.349 -8.175 -11.110 1.00 0.00 C ATOM 1731 C LEU A 119 -10.775 -9.627 -10.918 1.00 0.00 C ATOM 1732 O LEU A 119 -11.537 -10.172 -11.716 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.907 -8.117 -11.615 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.239 -6.742 -11.583 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.912 -6.775 -12.326 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.160 -5.687 -12.180 1.00 0.00 C ATOM 0 H LEU A 119 -9.682 -6.826 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.005 -7.718 -11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.307 -8.804 -11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.888 -8.484 -12.641 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.044 -6.479 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.452 -5.788 -12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.249 -7.501 -11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.083 -7.060 -13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.668 -4.715 -12.149 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.387 -5.946 -13.214 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.085 -5.644 -11.605 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.280 -10.247 -9.853 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.611 -11.635 -9.553 1.00 0.00 C ATOM 1750 C LYS A 120 -12.108 -11.797 -9.308 1.00 0.00 C ATOM 1751 O LYS A 120 -12.696 -12.819 -9.660 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.829 -12.114 -8.328 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.392 -11.622 -8.292 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.485 -12.600 -7.566 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.045 -13.735 -8.479 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.339 -14.809 -7.727 1.00 0.00 N ATOM 0 H LYS A 120 -9.648 -9.810 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.334 -12.242 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.342 -11.779 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.831 -13.204 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.031 -11.477 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.351 -10.651 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.608 -12.074 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -8.007 -13.009 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.916 -14.156 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.388 -13.343 -9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.055 -15.564 -8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.494 -14.413 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.974 -15.201 -7.003 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.717 -10.781 -8.705 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.146 -10.812 -8.415 1.00 0.00 C ATOM 1772 C GLN A 121 -14.964 -10.681 -9.695 1.00 0.00 C ATOM 1773 O GLN A 121 -16.050 -11.250 -9.809 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.515 -9.689 -7.443 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.682 -9.687 -6.172 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.771 -10.997 -5.414 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.851 -11.412 -4.993 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.632 -11.656 -5.235 1.00 0.00 N ATOM 0 H GLN A 121 -12.244 -9.927 -8.408 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.377 -11.773 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.396 -8.730 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.568 -9.781 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.641 -9.488 -6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.014 -8.874 -5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.759 -11.275 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.630 -12.543 -4.731 1.00 0.00 H new