USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 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= 0.154 USER MOD Set 1.2: A 59 CYS SG : rot 162:sc= -1.81 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -1.05 K(o=-5.9,f=-12!) USER MOD Set 1.4: A 102 CYS SG : rot 61:sc= -3.24 USER MOD Set 2.1: A 37 MET CE :methyl -102:sc= -4.18! (180deg=-4.39!) USER MOD Set 2.2: A 56 THR OG1 : rot -122:sc= -0.0828 USER MOD Set 2.3: A 66 SER OG : rot 77:sc= 0.394 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= -2.38 K(o=-2.4,f=-5.6!) USER MOD Single : A 22 ASN : amide:sc= -5.23! C(o=-5.2!,f=-16!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -0.593 (180deg=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0736 (180deg=-0.383) USER MOD Single : A 61 SER OG : rot 37:sc= -0.731 USER MOD Single : A 65 SER OG : rot 94:sc= -0.0841 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -150:sc=-0.00024 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc=-0.00353 (180deg=-0.117) USER MOD Single : A 77 THR OG1 : rot 143:sc= -0.182 USER MOD Single : A 83 THR OG1 : rot -88:sc= 1.16 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -2.86! C(o=-2.9!,f=-5.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 27:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -54:sc= 0.708 USER MOD Single : A 104 MET CE :methyl 161:sc= -0.0761 (180deg=-0.467) USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0693) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.291 -13.132 -2.544 1.00 0.00 N ATOM 282 CA ASN A 22 -9.754 -12.169 -1.551 1.00 0.00 C ATOM 283 C ASN A 22 -8.676 -11.131 -1.255 1.00 0.00 C ATOM 284 O ASN A 22 -8.976 -9.968 -0.987 1.00 0.00 O ATOM 285 CB ASN A 22 -10.154 -12.888 -0.261 1.00 0.00 C ATOM 286 CG ASN A 22 -8.996 -13.022 0.709 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.389 -12.028 1.110 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.683 -14.255 1.090 1.00 0.00 N ATOM 0 HA ASN A 22 -10.625 -11.655 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.966 -12.342 0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.537 -13.879 -0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.912 -14.408 1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.213 -15.049 0.732 1.00 0.00 H new ATOM 295 N VAL A 23 -7.419 -11.561 -1.307 1.00 0.00 N ATOM 296 CA VAL A 23 -6.295 -10.669 -1.046 1.00 0.00 C ATOM 297 C VAL A 23 -5.667 -10.182 -2.347 1.00 0.00 C ATOM 298 O VAL A 23 -5.221 -10.979 -3.171 1.00 0.00 O ATOM 299 CB VAL A 23 -5.214 -11.362 -0.195 1.00 0.00 C ATOM 300 CG1 VAL A 23 -5.069 -12.821 -0.601 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.887 -10.630 -0.322 1.00 0.00 C ATOM 0 H VAL A 23 -7.154 -12.521 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.689 -9.816 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.522 -11.330 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.301 -13.294 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.018 -13.336 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.783 -12.880 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.135 -11.133 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.570 -10.629 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.004 -9.602 0.022 1.00 0.00 H new ATOM 311 N GLY A 24 -5.635 -8.864 -2.525 1.00 0.00 N ATOM 312 CA GLY A 24 -5.060 -8.292 -3.729 1.00 0.00 C ATOM 313 C GLY A 24 -3.578 -8.008 -3.583 1.00 0.00 C ATOM 314 O GLY A 24 -3.069 -7.875 -2.470 1.00 0.00 O ATOM 0 H GLY A 24 -5.997 -8.183 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.216 -8.976 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.582 -7.367 -3.974 1.00 0.00 H new ATOM 318 N THR A 25 -2.881 -7.915 -4.712 1.00 0.00 N ATOM 319 CA THR A 25 -1.449 -7.647 -4.706 1.00 0.00 C ATOM 320 C THR A 25 -1.115 -6.420 -5.546 1.00 0.00 C ATOM 321 O THR A 25 -1.513 -6.323 -6.706 1.00 0.00 O ATOM 322 CB THR A 25 -0.650 -8.852 -5.237 1.00 0.00 C ATOM 323 OG1 THR A 25 -1.071 -10.050 -4.575 1.00 0.00 O ATOM 324 CG2 THR A 25 0.843 -8.648 -5.026 1.00 0.00 C ATOM 0 H THR A 25 -3.286 -8.022 -5.642 1.00 0.00 H new ATOM 0 HA THR A 25 -1.167 -7.461 -3.670 1.00 0.00 H new ATOM 0 HB THR A 25 -0.841 -8.942 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.559 -10.811 -4.919 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.386 -9.512 -5.409 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.166 -7.752 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.048 -8.533 -3.962 1.00 0.00 H new ATOM 332 N GLY A 26 -0.381 -5.484 -4.953 1.00 0.00 N ATOM 333 CA GLY A 26 -0.005 -4.275 -5.663 1.00 0.00 C ATOM 334 C GLY A 26 1.469 -3.952 -5.520 1.00 0.00 C ATOM 335 O GLY A 26 1.930 -3.590 -4.437 1.00 0.00 O ATOM 0 H GLY A 26 -0.040 -5.541 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.248 -4.388 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.595 -3.439 -5.288 1.00 0.00 H new ATOM 339 N LEU A 27 2.210 -4.085 -6.614 1.00 0.00 N ATOM 340 CA LEU A 27 3.642 -3.807 -6.606 1.00 0.00 C ATOM 341 C LEU A 27 3.971 -2.617 -7.501 1.00 0.00 C ATOM 342 O LEU A 27 3.650 -2.613 -8.690 1.00 0.00 O ATOM 343 CB LEU A 27 4.424 -5.038 -7.068 1.00 0.00 C ATOM 344 CG LEU A 27 5.939 -4.867 -7.182 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.508 -4.277 -5.901 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.604 -6.199 -7.498 1.00 0.00 C ATOM 0 H LEU A 27 1.843 -4.384 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 27 3.933 -3.562 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.222 -5.854 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.039 -5.344 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 27 6.146 -4.176 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.587 -4.163 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.055 -3.303 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.290 -4.942 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.682 -6.058 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.387 -6.912 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.219 -6.583 -8.443 1.00 0.00 H new ATOM 358 N VAL A 28 4.615 -1.607 -6.923 1.00 0.00 N ATOM 359 CA VAL A 28 4.990 -0.412 -7.670 1.00 0.00 C ATOM 360 C VAL A 28 6.342 0.121 -7.209 1.00 0.00 C ATOM 361 O VAL A 28 6.482 0.601 -6.085 1.00 0.00 O ATOM 362 CB VAL A 28 3.934 0.699 -7.518 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.611 0.265 -8.132 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.756 1.068 -6.053 1.00 0.00 C ATOM 0 H VAL A 28 4.888 -1.593 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 28 5.054 -0.701 -8.719 1.00 0.00 H new ATOM 0 HB VAL A 28 4.282 1.583 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.877 1.062 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.753 0.055 -9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.254 -0.634 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.006 1.854 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.430 0.191 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.704 1.424 -5.650 1.00 0.00 H new ATOM 374 N GLY A 29 7.337 0.033 -8.087 1.00 0.00 N ATOM 375 CA GLY A 29 8.666 0.511 -7.753 1.00 0.00 C ATOM 376 C GLY A 29 9.059 1.737 -8.553 1.00 0.00 C ATOM 377 O GLY A 29 8.321 2.174 -9.434 1.00 0.00 O ATOM 0 H GLY A 29 7.246 -0.361 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.708 0.746 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.390 -0.284 -7.932 1.00 0.00 H new ATOM 381 N ALA A 30 10.226 2.294 -8.243 1.00 0.00 N ATOM 382 CA ALA A 30 10.716 3.477 -8.940 1.00 0.00 C ATOM 383 C ALA A 30 11.819 3.114 -9.929 1.00 0.00 C ATOM 384 O ALA A 30 12.732 2.347 -9.623 1.00 0.00 O ATOM 385 CB ALA A 30 11.219 4.508 -7.940 1.00 0.00 C ATOM 0 H ALA A 30 10.849 1.945 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 30 9.887 3.907 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.582 5.386 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.405 4.798 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.031 4.079 -7.353 1.00 0.00 H new ATOM 391 N PRO A 31 11.734 3.676 -11.143 1.00 0.00 N ATOM 392 CA PRO A 31 12.717 3.426 -12.202 1.00 0.00 C ATOM 393 C PRO A 31 14.071 4.057 -11.896 1.00 0.00 C ATOM 394 O PRO A 31 15.108 3.399 -11.983 1.00 0.00 O ATOM 395 CB PRO A 31 12.088 4.081 -13.433 1.00 0.00 C ATOM 396 CG PRO A 31 11.190 5.136 -12.884 1.00 0.00 C ATOM 397 CD PRO A 31 10.673 4.600 -11.577 1.00 0.00 C ATOM 0 HA PRO A 31 12.920 2.362 -12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.849 4.509 -14.086 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.531 3.356 -14.026 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.731 6.071 -12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.370 5.347 -13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.513 5.397 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.720 4.087 -11.702 1.00 0.00 H new ATOM 405 N ALA A 32 14.055 5.337 -11.538 1.00 0.00 N ATOM 406 CA ALA A 32 15.282 6.056 -11.217 1.00 0.00 C ATOM 407 C ALA A 32 15.852 5.599 -9.878 1.00 0.00 C ATOM 408 O ALA A 32 16.909 4.970 -9.824 1.00 0.00 O ATOM 409 CB ALA A 32 15.025 7.556 -11.199 1.00 0.00 C ATOM 0 H ALA A 32 13.206 5.897 -11.463 1.00 0.00 H new ATOM 0 HA ALA A 32 16.017 5.833 -11.990 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.950 8.081 -10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.671 7.876 -12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.270 7.787 -10.447 1.00 0.00 H new ATOM 415 N CYS A 33 15.146 5.920 -8.800 1.00 0.00 N ATOM 416 CA CYS A 33 15.581 5.544 -7.460 1.00 0.00 C ATOM 417 C CYS A 33 15.815 4.039 -7.366 1.00 0.00 C ATOM 418 O CYS A 33 16.725 3.583 -6.676 1.00 0.00 O ATOM 419 CB CYS A 33 14.543 5.976 -6.423 1.00 0.00 C ATOM 420 SG CYS A 33 15.206 6.157 -4.736 1.00 0.00 S ATOM 0 H CYS A 33 14.269 6.440 -8.828 1.00 0.00 H new ATOM 0 HA CYS A 33 16.522 6.054 -7.255 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.108 6.926 -6.734 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.735 5.245 -6.408 1.00 0.00 H new ATOM 0 HG CYS A 33 15.010 5.056 -4.072 1.00 0.00 H new ATOM 425 N GLY A 34 14.985 3.272 -8.068 1.00 0.00 N ATOM 426 CA GLY A 34 15.117 1.827 -8.050 1.00 0.00 C ATOM 427 C GLY A 34 14.591 1.212 -6.769 1.00 0.00 C ATOM 428 O GLY A 34 15.330 0.546 -6.044 1.00 0.00 O ATOM 0 H GLY A 34 14.224 3.626 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.579 1.406 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.167 1.560 -8.173 1.00 0.00 H new ATOM 432 N ASP A 35 13.313 1.438 -6.487 1.00 0.00 N ATOM 433 CA ASP A 35 12.689 0.901 -5.283 1.00 0.00 C ATOM 434 C ASP A 35 11.657 -0.166 -5.635 1.00 0.00 C ATOM 435 O ASP A 35 11.211 -0.260 -6.779 1.00 0.00 O ATOM 436 CB ASP A 35 12.027 2.024 -4.482 1.00 0.00 C ATOM 437 CG ASP A 35 12.871 3.282 -4.443 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.111 3.169 -4.548 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.293 4.380 -4.307 1.00 0.00 O ATOM 0 H ASP A 35 12.689 1.989 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 35 13.467 0.441 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.056 2.255 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.844 1.681 -3.464 1.00 0.00 H new ATOM 444 N VAL A 36 11.283 -0.970 -4.645 1.00 0.00 N ATOM 445 CA VAL A 36 10.305 -2.031 -4.849 1.00 0.00 C ATOM 446 C VAL A 36 9.279 -2.057 -3.722 1.00 0.00 C ATOM 447 O VAL A 36 9.530 -2.614 -2.653 1.00 0.00 O ATOM 448 CB VAL A 36 10.983 -3.410 -4.943 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.943 -4.508 -5.105 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.980 -3.436 -6.092 1.00 0.00 C ATOM 0 H VAL A 36 11.643 -0.906 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 36 9.800 -1.818 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 36 11.526 -3.592 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.442 -5.475 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.272 -4.503 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.369 -4.334 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.450 -4.418 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.461 -3.232 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.744 -2.676 -5.928 1.00 0.00 H new ATOM 460 N MET A 37 8.122 -1.452 -3.967 1.00 0.00 N ATOM 461 CA MET A 37 7.056 -1.408 -2.973 1.00 0.00 C ATOM 462 C MET A 37 6.028 -2.505 -3.228 1.00 0.00 C ATOM 463 O MET A 37 5.235 -2.421 -4.166 1.00 0.00 O ATOM 464 CB MET A 37 6.373 -0.039 -2.986 1.00 0.00 C ATOM 465 CG MET A 37 5.696 0.315 -1.672 1.00 0.00 C ATOM 466 SD MET A 37 4.684 1.803 -1.791 1.00 0.00 S ATOM 467 CE MET A 37 3.425 1.455 -0.567 1.00 0.00 C ATOM 0 H MET A 37 7.898 -0.985 -4.846 1.00 0.00 H new ATOM 0 HA MET A 37 7.502 -1.574 -1.992 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.114 0.725 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.631 -0.020 -3.784 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.072 -0.520 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.455 0.457 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.512 1.131 -1.066 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.773 0.666 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.222 2.356 0.013 1.00 0.00 H new ATOM 477 N LYS A 38 6.046 -3.534 -2.388 1.00 0.00 N ATOM 478 CA LYS A 38 5.115 -4.649 -2.522 1.00 0.00 C ATOM 479 C LYS A 38 4.008 -4.561 -1.476 1.00 0.00 C ATOM 480 O LYS A 38 4.223 -4.866 -0.302 1.00 0.00 O ATOM 481 CB LYS A 38 5.858 -5.980 -2.384 1.00 0.00 C ATOM 482 CG LYS A 38 4.989 -7.193 -2.668 1.00 0.00 C ATOM 483 CD LYS A 38 4.816 -7.417 -4.161 1.00 0.00 C ATOM 484 CE LYS A 38 4.238 -8.793 -4.455 1.00 0.00 C ATOM 485 NZ LYS A 38 4.406 -9.172 -5.885 1.00 0.00 N ATOM 0 H LYS A 38 6.696 -3.619 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 38 4.661 -4.595 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.708 -5.985 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.260 -6.059 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.438 -8.077 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.012 -7.059 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.159 -6.650 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.779 -7.312 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.727 -9.535 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.179 -8.804 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.999 -10.116 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.918 -8.479 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.418 -9.187 -6.124 1.00 0.00 H new ATOM 499 N LEU A 39 2.824 -4.143 -1.909 1.00 0.00 N ATOM 500 CA LEU A 39 1.682 -4.017 -1.010 1.00 0.00 C ATOM 501 C LEU A 39 0.768 -5.234 -1.116 1.00 0.00 C ATOM 502 O LEU A 39 0.619 -5.818 -2.189 1.00 0.00 O ATOM 503 CB LEU A 39 0.895 -2.745 -1.329 1.00 0.00 C ATOM 504 CG LEU A 39 0.088 -2.148 -0.175 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.013 -1.684 0.939 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.775 -0.996 -0.668 1.00 0.00 C ATOM 0 H LEU A 39 2.629 -3.886 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 39 2.060 -3.957 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.594 -1.989 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.212 -2.961 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.567 -2.922 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.421 -1.262 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.588 -2.532 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.694 -0.925 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.342 -0.583 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.138 -0.220 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.464 -1.358 -1.431 1.00 0.00 H new ATOM 518 N GLN A 40 0.158 -5.609 0.003 1.00 0.00 N ATOM 519 CA GLN A 40 -0.743 -6.755 0.035 1.00 0.00 C ATOM 520 C GLN A 40 -1.842 -6.556 1.074 1.00 0.00 C ATOM 521 O GLN A 40 -1.562 -6.366 2.258 1.00 0.00 O ATOM 522 CB GLN A 40 0.037 -8.035 0.339 1.00 0.00 C ATOM 523 CG GLN A 40 0.610 -8.707 -0.898 1.00 0.00 C ATOM 524 CD GLN A 40 -0.334 -9.732 -1.495 1.00 0.00 C ATOM 525 OE1 GLN A 40 -1.541 -9.505 -1.583 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.213 -10.869 -1.911 1.00 0.00 N ATOM 0 H GLN A 40 0.271 -5.136 0.900 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.209 -6.846 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.851 -7.800 1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.620 -8.737 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.837 -7.948 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.551 -9.192 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.218 -11.015 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.372 -11.596 -2.323 1.00 0.00 H new ATOM 535 N ILE A 41 -3.090 -6.600 0.623 1.00 0.00 N ATOM 536 CA ILE A 41 -4.231 -6.425 1.514 1.00 0.00 C ATOM 537 C ILE A 41 -5.233 -7.563 1.354 1.00 0.00 C ATOM 538 O ILE A 41 -5.603 -7.924 0.237 1.00 0.00 O ATOM 539 CB ILE A 41 -4.946 -5.086 1.257 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.521 -5.054 -0.161 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.988 -3.924 1.472 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.940 -5.572 -0.249 1.00 0.00 C ATOM 0 H ILE A 41 -3.338 -6.755 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.840 -6.429 2.532 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.769 -4.989 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.493 -4.030 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.884 -5.649 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.508 -2.984 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.622 -3.939 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.146 -4.014 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.283 -5.520 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.971 -6.607 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.589 -4.963 0.380 1.00 0.00 H new ATOM 554 N GLN A 42 -5.669 -8.123 2.478 1.00 0.00 N ATOM 555 CA GLN A 42 -6.630 -9.220 2.462 1.00 0.00 C ATOM 556 C GLN A 42 -8.050 -8.702 2.668 1.00 0.00 C ATOM 557 O GLN A 42 -8.402 -8.240 3.753 1.00 0.00 O ATOM 558 CB GLN A 42 -6.285 -10.243 3.545 1.00 0.00 C ATOM 559 CG GLN A 42 -7.037 -11.557 3.402 1.00 0.00 C ATOM 560 CD GLN A 42 -6.955 -12.415 4.649 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.517 -12.073 5.690 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.252 -13.537 4.550 1.00 0.00 N ATOM 0 H GLN A 42 -5.372 -7.835 3.411 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.577 -9.703 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.214 -10.442 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.504 -9.813 4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.083 -11.350 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.632 -12.113 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.803 -13.781 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.161 -14.155 5.357 1.00 0.00 H new ATOM 571 N VAL A 43 -8.862 -8.783 1.619 1.00 0.00 N ATOM 572 CA VAL A 43 -10.244 -8.323 1.685 1.00 0.00 C ATOM 573 C VAL A 43 -11.177 -9.449 2.115 1.00 0.00 C ATOM 574 O VAL A 43 -11.038 -10.589 1.671 1.00 0.00 O ATOM 575 CB VAL A 43 -10.717 -7.770 0.327 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.183 -7.370 0.395 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.853 -6.591 -0.097 1.00 0.00 C ATOM 0 H VAL A 43 -8.587 -9.163 0.713 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.277 -7.524 2.426 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.614 -8.555 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.499 -6.982 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.786 -8.241 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.315 -6.600 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.201 -6.212 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.923 -5.801 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.816 -6.914 -0.188 1.00 0.00 H new ATOM 587 N ASP A 44 -12.129 -9.122 2.982 1.00 0.00 N ATOM 588 CA ASP A 44 -13.088 -10.105 3.472 1.00 0.00 C ATOM 589 C ASP A 44 -14.356 -10.098 2.624 1.00 0.00 C ATOM 590 O ASP A 44 -14.435 -9.396 1.616 1.00 0.00 O ATOM 591 CB ASP A 44 -13.436 -9.825 4.935 1.00 0.00 C ATOM 592 CG ASP A 44 -14.625 -8.895 5.079 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.780 -7.994 4.228 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.400 -9.068 6.042 1.00 0.00 O ATOM 0 H ASP A 44 -12.257 -8.183 3.360 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.629 -11.091 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.651 -10.766 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.572 -9.385 5.433 1.00 0.00 H new ATOM 599 N GLU A 45 -15.344 -10.883 3.039 1.00 0.00 N ATOM 600 CA GLU A 45 -16.608 -10.968 2.316 1.00 0.00 C ATOM 601 C GLU A 45 -17.309 -9.613 2.285 1.00 0.00 C ATOM 602 O GLU A 45 -17.954 -9.256 1.299 1.00 0.00 O ATOM 603 CB GLU A 45 -17.521 -12.013 2.960 1.00 0.00 C ATOM 604 CG GLU A 45 -18.070 -11.590 4.313 1.00 0.00 C ATOM 605 CD GLU A 45 -18.770 -12.723 5.038 1.00 0.00 C ATOM 606 OE1 GLU A 45 -18.209 -13.838 5.077 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.879 -12.495 5.565 1.00 0.00 O ATOM 0 H GLU A 45 -15.294 -11.470 3.872 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.391 -11.269 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.354 -12.219 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.967 -12.945 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.254 -11.217 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.769 -10.765 4.176 1.00 0.00 H new ATOM 614 N LYS A 46 -17.178 -8.861 3.373 1.00 0.00 N ATOM 615 CA LYS A 46 -17.798 -7.545 3.473 1.00 0.00 C ATOM 616 C LYS A 46 -17.105 -6.546 2.551 1.00 0.00 C ATOM 617 O LYS A 46 -17.688 -5.534 2.167 1.00 0.00 O ATOM 618 CB LYS A 46 -17.746 -7.043 4.918 1.00 0.00 C ATOM 619 CG LYS A 46 -18.485 -7.936 5.899 1.00 0.00 C ATOM 620 CD LYS A 46 -19.053 -7.138 7.061 1.00 0.00 C ATOM 621 CE LYS A 46 -19.863 -8.020 7.999 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.057 -7.381 9.330 1.00 0.00 N ATOM 0 H LYS A 46 -16.648 -9.141 4.198 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.839 -7.636 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.704 -6.961 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.171 -6.040 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.293 -8.454 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.807 -8.701 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.239 -6.668 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.684 -6.335 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.835 -8.230 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.357 -8.977 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.613 -8.013 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.131 -7.203 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.563 -6.480 9.212 1.00 0.00 H new ATOM 636 N GLY A 47 -15.857 -6.840 2.200 1.00 0.00 N ATOM 637 CA GLY A 47 -15.106 -5.958 1.325 1.00 0.00 C ATOM 638 C GLY A 47 -14.252 -4.969 2.092 1.00 0.00 C ATOM 639 O GLY A 47 -13.930 -3.893 1.589 1.00 0.00 O ATOM 0 H GLY A 47 -15.353 -7.672 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.468 -6.555 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.798 -5.414 0.682 1.00 0.00 H new ATOM 643 N LYS A 48 -13.884 -5.333 3.316 1.00 0.00 N ATOM 644 CA LYS A 48 -13.062 -4.470 4.157 1.00 0.00 C ATOM 645 C LYS A 48 -11.683 -5.083 4.381 1.00 0.00 C ATOM 646 O LYS A 48 -11.555 -6.293 4.571 1.00 0.00 O ATOM 647 CB LYS A 48 -13.750 -4.229 5.502 1.00 0.00 C ATOM 648 CG LYS A 48 -13.053 -3.190 6.364 1.00 0.00 C ATOM 649 CD LYS A 48 -12.009 -3.824 7.267 1.00 0.00 C ATOM 650 CE LYS A 48 -12.626 -4.334 8.561 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.227 -5.686 8.394 1.00 0.00 N ATOM 0 H LYS A 48 -14.142 -6.220 3.748 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.937 -3.516 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.777 -3.911 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.798 -5.170 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.579 -2.445 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.791 -2.666 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.526 -4.649 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.233 -3.094 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.862 -4.370 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.392 -3.635 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.082 -6.240 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.246 -5.592 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.773 -6.171 7.594 1.00 0.00 H new ATOM 665 N ILE A 49 -10.656 -4.240 4.360 1.00 0.00 N ATOM 666 CA ILE A 49 -9.287 -4.699 4.564 1.00 0.00 C ATOM 667 C ILE A 49 -9.060 -5.124 6.011 1.00 0.00 C ATOM 668 O ILE A 49 -9.131 -4.306 6.928 1.00 0.00 O ATOM 669 CB ILE A 49 -8.266 -3.607 4.195 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.278 -3.357 2.685 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.873 -4.005 4.660 1.00 0.00 C ATOM 672 CD1 ILE A 49 -7.937 -1.932 2.307 1.00 0.00 C ATOM 0 H ILE A 49 -10.746 -3.236 4.204 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.141 -5.557 3.908 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.546 -2.683 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.567 -4.031 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.264 -3.603 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.163 -3.223 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.875 -4.138 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.582 -4.939 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.964 -1.827 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.662 -1.253 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.939 -1.688 2.670 1.00 0.00 H new ATOM 684 N VAL A 50 -8.784 -6.410 6.208 1.00 0.00 N ATOM 685 CA VAL A 50 -8.543 -6.943 7.543 1.00 0.00 C ATOM 686 C VAL A 50 -7.050 -7.101 7.810 1.00 0.00 C ATOM 687 O VAL A 50 -6.598 -6.989 8.950 1.00 0.00 O ATOM 688 CB VAL A 50 -9.235 -8.306 7.736 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.746 -8.139 7.762 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.816 -9.275 6.641 1.00 0.00 C ATOM 0 H VAL A 50 -8.722 -7.101 5.460 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.962 -6.227 8.250 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.923 -8.720 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.217 -9.112 7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.025 -7.481 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.080 -7.703 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.314 -10.233 6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.097 -8.870 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.736 -9.418 6.676 1.00 0.00 H new ATOM 700 N ASP A 51 -6.290 -7.361 6.753 1.00 0.00 N ATOM 701 CA ASP A 51 -4.847 -7.532 6.872 1.00 0.00 C ATOM 702 C ASP A 51 -4.115 -6.764 5.776 1.00 0.00 C ATOM 703 O ASP A 51 -4.466 -6.856 4.600 1.00 0.00 O ATOM 704 CB ASP A 51 -4.480 -9.016 6.804 1.00 0.00 C ATOM 705 CG ASP A 51 -5.294 -9.858 7.767 1.00 0.00 C ATOM 706 OD1 ASP A 51 -5.771 -9.306 8.780 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.452 -11.070 7.508 1.00 0.00 O ATOM 0 H ASP A 51 -6.649 -7.458 5.803 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.538 -7.133 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.635 -9.379 5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.420 -9.136 7.028 1.00 0.00 H new ATOM 712 N ALA A 52 -3.098 -6.005 6.170 1.00 0.00 N ATOM 713 CA ALA A 52 -2.317 -5.221 5.222 1.00 0.00 C ATOM 714 C ALA A 52 -0.824 -5.344 5.506 1.00 0.00 C ATOM 715 O ALA A 52 -0.390 -5.233 6.653 1.00 0.00 O ATOM 716 CB ALA A 52 -2.746 -3.762 5.263 1.00 0.00 C ATOM 0 H ALA A 52 -2.796 -5.917 7.140 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.503 -5.615 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.154 -3.189 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.802 -3.686 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.590 -3.365 6.266 1.00 0.00 H new ATOM 722 N ARG A 53 -0.043 -5.573 4.456 1.00 0.00 N ATOM 723 CA ARG A 53 1.402 -5.713 4.594 1.00 0.00 C ATOM 724 C ARG A 53 2.132 -4.751 3.662 1.00 0.00 C ATOM 725 O ARG A 53 1.677 -4.480 2.551 1.00 0.00 O ATOM 726 CB ARG A 53 1.828 -7.151 4.296 1.00 0.00 C ATOM 727 CG ARG A 53 1.157 -8.183 5.188 1.00 0.00 C ATOM 728 CD ARG A 53 1.743 -8.171 6.591 1.00 0.00 C ATOM 729 NE ARG A 53 0.798 -8.678 7.583 1.00 0.00 N ATOM 730 CZ ARG A 53 1.164 -9.191 8.752 1.00 0.00 C ATOM 731 NH1 ARG A 53 2.448 -9.265 9.074 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.245 -9.631 9.602 1.00 0.00 N ATOM 0 H ARG A 53 -0.386 -5.666 3.500 1.00 0.00 H new ATOM 0 HA ARG A 53 1.669 -5.469 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.600 -7.380 3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.909 -7.232 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.087 -7.982 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.275 -9.175 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.649 -8.777 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.034 -7.154 6.854 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.198 -8.636 7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.157 -8.927 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.727 -9.659 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.744 -9.575 9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.527 -10.025 10.500 1.00 0.00 H new ATOM 746 N PHE A 54 3.268 -4.237 4.122 1.00 0.00 N ATOM 747 CA PHE A 54 4.061 -3.304 3.330 1.00 0.00 C ATOM 748 C PHE A 54 5.525 -3.735 3.286 1.00 0.00 C ATOM 749 O PHE A 54 6.172 -3.883 4.322 1.00 0.00 O ATOM 750 CB PHE A 54 3.952 -1.891 3.907 1.00 0.00 C ATOM 751 CG PHE A 54 4.942 -1.612 5.002 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.214 -1.150 4.703 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.601 -1.812 6.330 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.127 -0.893 5.708 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.510 -1.557 7.340 1.00 0.00 C ATOM 756 CZ PHE A 54 6.774 -1.096 7.028 1.00 0.00 C ATOM 0 H PHE A 54 3.660 -4.451 5.039 1.00 0.00 H new ATOM 0 HA PHE A 54 3.669 -3.306 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.096 -1.167 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.944 -1.742 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.495 -0.989 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.613 -2.171 6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.115 -0.534 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.232 -1.718 8.371 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.486 -0.894 7.815 1.00 0.00 H new ATOM 766 N LYS A 55 6.039 -3.937 2.078 1.00 0.00 N ATOM 767 CA LYS A 55 7.425 -4.351 1.895 1.00 0.00 C ATOM 768 C LYS A 55 8.134 -3.449 0.889 1.00 0.00 C ATOM 769 O LYS A 55 7.981 -3.611 -0.322 1.00 0.00 O ATOM 770 CB LYS A 55 7.487 -5.806 1.424 1.00 0.00 C ATOM 771 CG LYS A 55 8.901 -6.348 1.306 1.00 0.00 C ATOM 772 CD LYS A 55 9.550 -6.513 2.670 1.00 0.00 C ATOM 773 CE LYS A 55 9.025 -7.745 3.391 1.00 0.00 C ATOM 774 NZ LYS A 55 9.422 -9.003 2.701 1.00 0.00 N ATOM 0 H LYS A 55 5.516 -3.821 1.210 1.00 0.00 H new ATOM 0 HA LYS A 55 7.933 -4.265 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.925 -6.429 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.994 -5.887 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.882 -7.309 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.501 -5.673 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.631 -6.592 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.359 -5.627 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.404 -7.756 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.938 -7.693 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.370 -9.797 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.778 -9.179 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.396 -8.912 2.347 1.00 0.00 H new ATOM 788 N THR A 56 8.912 -2.499 1.399 1.00 0.00 N ATOM 789 CA THR A 56 9.645 -1.573 0.546 1.00 0.00 C ATOM 790 C THR A 56 11.125 -1.934 0.486 1.00 0.00 C ATOM 791 O THR A 56 11.688 -2.453 1.450 1.00 0.00 O ATOM 792 CB THR A 56 9.502 -0.121 1.040 1.00 0.00 C ATOM 793 OG1 THR A 56 8.148 0.132 1.432 1.00 0.00 O ATOM 794 CG2 THR A 56 9.915 0.863 -0.044 1.00 0.00 C ATOM 0 H THR A 56 9.050 -2.351 2.399 1.00 0.00 H new ATOM 0 HA THR A 56 9.214 -1.654 -0.452 1.00 0.00 H new ATOM 0 HB THR A 56 10.159 0.014 1.899 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.794 0.887 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.805 1.882 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.955 0.687 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.281 0.727 -0.920 1.00 0.00 H new ATOM 802 N PHE A 57 11.752 -1.655 -0.653 1.00 0.00 N ATOM 803 CA PHE A 57 13.167 -1.951 -0.839 1.00 0.00 C ATOM 804 C PHE A 57 13.869 -0.814 -1.575 1.00 0.00 C ATOM 805 O PHE A 57 13.673 -0.623 -2.775 1.00 0.00 O ATOM 806 CB PHE A 57 13.339 -3.259 -1.614 1.00 0.00 C ATOM 807 CG PHE A 57 12.725 -4.447 -0.930 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.203 -4.881 0.295 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.670 -5.130 -1.514 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.639 -5.973 0.928 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.102 -6.222 -0.887 1.00 0.00 C ATOM 812 CZ PHE A 57 11.588 -6.646 0.335 1.00 0.00 C ATOM 0 H PHE A 57 11.302 -1.224 -1.461 1.00 0.00 H new ATOM 0 HA PHE A 57 13.622 -2.058 0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.892 -3.148 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.402 -3.446 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.026 -4.360 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.288 -4.805 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.019 -6.300 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.279 -6.744 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.147 -7.501 0.825 1.00 0.00 H new ATOM 822 N GLY A 58 14.687 -0.060 -0.847 1.00 0.00 N ATOM 823 CA GLY A 58 15.405 1.049 -1.446 1.00 0.00 C ATOM 824 C GLY A 58 15.580 2.212 -0.489 1.00 0.00 C ATOM 825 O GLY A 58 15.978 2.024 0.661 1.00 0.00 O ATOM 0 H GLY A 58 14.865 -0.198 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.385 0.706 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.868 1.389 -2.332 1.00 0.00 H new ATOM 829 N CYS A 59 15.284 3.417 -0.964 1.00 0.00 N ATOM 830 CA CYS A 59 15.413 4.615 -0.144 1.00 0.00 C ATOM 831 C CYS A 59 14.546 4.513 1.108 1.00 0.00 C ATOM 832 O CYS A 59 13.925 3.483 1.364 1.00 0.00 O ATOM 833 CB CYS A 59 15.020 5.855 -0.950 1.00 0.00 C ATOM 834 SG CYS A 59 13.241 5.966 -1.323 1.00 0.00 S ATOM 0 H CYS A 59 14.953 3.590 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 59 16.455 4.705 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.321 6.745 -0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.578 5.858 -1.887 1.00 0.00 H new ATOM 0 HG CYS A 59 12.941 7.188 -1.648 1.00 0.00 H new ATOM 839 N GLY A 60 14.510 5.591 1.886 1.00 0.00 N ATOM 840 CA GLY A 60 13.717 5.603 3.101 1.00 0.00 C ATOM 841 C GLY A 60 12.303 6.096 2.866 1.00 0.00 C ATOM 842 O GLY A 60 11.337 5.378 3.123 1.00 0.00 O ATOM 0 H GLY A 60 15.016 6.456 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.683 4.597 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.202 6.239 3.841 1.00 0.00 H new ATOM 846 N SER A 61 12.180 7.327 2.378 1.00 0.00 N ATOM 847 CA SER A 61 10.874 7.918 2.114 1.00 0.00 C ATOM 848 C SER A 61 9.890 6.862 1.618 1.00 0.00 C ATOM 849 O SER A 61 8.689 6.952 1.866 1.00 0.00 O ATOM 850 CB SER A 61 10.998 9.040 1.082 1.00 0.00 C ATOM 851 OG SER A 61 9.721 9.488 0.660 1.00 0.00 O ATOM 0 H SER A 61 12.970 7.934 2.158 1.00 0.00 H new ATOM 0 HA SER A 61 10.495 8.333 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.556 9.873 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.565 8.686 0.221 1.00 0.00 H new ATOM 0 HG SER A 61 9.103 9.477 1.420 1.00 0.00 H new ATOM 857 N ALA A 62 10.411 5.861 0.915 1.00 0.00 N ATOM 858 CA ALA A 62 9.581 4.787 0.385 1.00 0.00 C ATOM 859 C ALA A 62 9.144 3.833 1.492 1.00 0.00 C ATOM 860 O ALA A 62 7.958 3.537 1.638 1.00 0.00 O ATOM 861 CB ALA A 62 10.328 4.029 -0.702 1.00 0.00 C ATOM 0 H ALA A 62 11.404 5.772 0.700 1.00 0.00 H new ATOM 0 HA ALA A 62 8.686 5.234 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.696 3.230 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.584 4.712 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.240 3.601 -0.286 1.00 0.00 H new ATOM 867 N ILE A 63 10.110 3.356 2.270 1.00 0.00 N ATOM 868 CA ILE A 63 9.825 2.436 3.364 1.00 0.00 C ATOM 869 C ILE A 63 8.819 3.037 4.340 1.00 0.00 C ATOM 870 O ILE A 63 7.906 2.356 4.805 1.00 0.00 O ATOM 871 CB ILE A 63 11.106 2.060 4.132 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.091 1.345 3.205 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.768 1.185 5.330 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.516 1.355 3.713 1.00 0.00 C ATOM 0 H ILE A 63 11.097 3.591 2.163 1.00 0.00 H new ATOM 0 HA ILE A 63 9.402 1.536 2.917 1.00 0.00 H new ATOM 0 HB ILE A 63 11.576 2.974 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.768 0.312 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.061 1.817 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.684 0.928 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.099 1.727 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.279 0.273 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.158 0.831 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.857 2.385 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.561 0.857 4.682 1.00 0.00 H new ATOM 886 N ALA A 64 8.992 4.319 4.644 1.00 0.00 N ATOM 887 CA ALA A 64 8.098 5.014 5.561 1.00 0.00 C ATOM 888 C ALA A 64 6.729 5.241 4.928 1.00 0.00 C ATOM 889 O ALA A 64 5.726 4.690 5.380 1.00 0.00 O ATOM 890 CB ALA A 64 8.708 6.340 5.991 1.00 0.00 C ATOM 0 H ALA A 64 9.744 4.897 4.268 1.00 0.00 H new ATOM 0 HA ALA A 64 7.963 4.386 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.029 6.848 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.659 6.158 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.874 6.966 5.114 1.00 0.00 H new ATOM 896 N SER A 65 6.696 6.055 3.878 1.00 0.00 N ATOM 897 CA SER A 65 5.450 6.358 3.184 1.00 0.00 C ATOM 898 C SER A 65 4.546 5.130 3.131 1.00 0.00 C ATOM 899 O SER A 65 3.331 5.231 3.305 1.00 0.00 O ATOM 900 CB SER A 65 5.738 6.856 1.767 1.00 0.00 C ATOM 901 OG SER A 65 5.974 8.253 1.755 1.00 0.00 O ATOM 0 H SER A 65 7.518 6.517 3.489 1.00 0.00 H new ATOM 0 HA SER A 65 4.935 7.143 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.606 6.334 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.895 6.621 1.117 1.00 0.00 H new ATOM 0 HG SER A 65 6.937 8.423 1.819 1.00 0.00 H new ATOM 907 N SER A 66 5.148 3.970 2.888 1.00 0.00 N ATOM 908 CA SER A 66 4.398 2.722 2.807 1.00 0.00 C ATOM 909 C SER A 66 3.852 2.327 4.176 1.00 0.00 C ATOM 910 O SER A 66 2.646 2.149 4.348 1.00 0.00 O ATOM 911 CB SER A 66 5.285 1.604 2.257 1.00 0.00 C ATOM 912 OG SER A 66 5.820 1.953 0.991 1.00 0.00 O ATOM 0 H SER A 66 6.153 3.868 2.744 1.00 0.00 H new ATOM 0 HA SER A 66 3.558 2.875 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.097 1.403 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.705 0.685 2.169 1.00 0.00 H new ATOM 0 HG SER A 66 6.563 2.581 1.112 1.00 0.00 H new ATOM 918 N SER A 67 4.749 2.191 5.147 1.00 0.00 N ATOM 919 CA SER A 67 4.360 1.813 6.500 1.00 0.00 C ATOM 920 C SER A 67 3.166 2.637 6.972 1.00 0.00 C ATOM 921 O SER A 67 2.243 2.113 7.597 1.00 0.00 O ATOM 922 CB SER A 67 5.535 1.998 7.462 1.00 0.00 C ATOM 923 OG SER A 67 5.120 1.850 8.809 1.00 0.00 O ATOM 0 H SER A 67 5.751 2.337 5.022 1.00 0.00 H new ATOM 0 HA SER A 67 4.072 0.762 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.313 1.269 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.973 2.986 7.320 1.00 0.00 H new ATOM 0 HG SER A 67 5.890 1.971 9.404 1.00 0.00 H new ATOM 929 N LEU A 68 3.192 3.930 6.670 1.00 0.00 N ATOM 930 CA LEU A 68 2.113 4.830 7.062 1.00 0.00 C ATOM 931 C LEU A 68 0.857 4.567 6.237 1.00 0.00 C ATOM 932 O LEU A 68 -0.261 4.667 6.740 1.00 0.00 O ATOM 933 CB LEU A 68 2.550 6.286 6.897 1.00 0.00 C ATOM 934 CG LEU A 68 1.433 7.330 6.924 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.940 8.640 7.504 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.871 7.546 5.526 1.00 0.00 C ATOM 0 H LEU A 68 3.949 4.379 6.155 1.00 0.00 H new ATOM 0 HA LEU A 68 1.882 4.644 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.260 6.523 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.084 6.379 5.951 1.00 0.00 H new ATOM 0 HG LEU A 68 0.632 6.960 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.131 9.370 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.293 8.475 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.760 9.016 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.077 8.292 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.664 7.894 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.468 6.607 5.147 1.00 0.00 H new ATOM 948 N ALA A 69 1.051 4.228 4.966 1.00 0.00 N ATOM 949 CA ALA A 69 -0.065 3.946 4.072 1.00 0.00 C ATOM 950 C ALA A 69 -0.710 2.605 4.405 1.00 0.00 C ATOM 951 O ALA A 69 -1.882 2.543 4.779 1.00 0.00 O ATOM 952 CB ALA A 69 0.401 3.965 2.624 1.00 0.00 C ATOM 0 H ALA A 69 1.971 4.142 4.533 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.815 4.724 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.443 3.753 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.808 4.948 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.172 3.208 2.480 1.00 0.00 H new ATOM 958 N THR A 70 0.062 1.531 4.267 1.00 0.00 N ATOM 959 CA THR A 70 -0.435 0.191 4.551 1.00 0.00 C ATOM 960 C THR A 70 -1.192 0.154 5.873 1.00 0.00 C ATOM 961 O THR A 70 -1.982 -0.756 6.121 1.00 0.00 O ATOM 962 CB THR A 70 0.713 -0.835 4.601 1.00 0.00 C ATOM 963 OG1 THR A 70 0.194 -2.160 4.441 1.00 0.00 O ATOM 964 CG2 THR A 70 1.469 -0.737 5.917 1.00 0.00 C ATOM 0 H THR A 70 1.034 1.564 3.960 1.00 0.00 H new ATOM 0 HA THR A 70 -1.113 -0.073 3.740 1.00 0.00 H new ATOM 0 HB THR A 70 1.403 -0.615 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.765 -2.795 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.275 -1.471 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.888 0.264 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.787 -0.933 6.744 1.00 0.00 H new ATOM 972 N GLU A 71 -0.947 1.150 6.718 1.00 0.00 N ATOM 973 CA GLU A 71 -1.607 1.230 8.016 1.00 0.00 C ATOM 974 C GLU A 71 -2.949 1.948 7.901 1.00 0.00 C ATOM 975 O GLU A 71 -3.897 1.633 8.620 1.00 0.00 O ATOM 976 CB GLU A 71 -0.713 1.956 9.024 1.00 0.00 C ATOM 977 CG GLU A 71 -1.427 2.328 10.313 1.00 0.00 C ATOM 978 CD GLU A 71 -0.496 2.353 11.509 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.151 3.396 11.738 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.414 1.327 12.217 1.00 0.00 O ATOM 0 H GLU A 71 -0.297 1.912 6.527 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.787 0.214 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.141 1.322 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.320 2.861 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.890 3.308 10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.231 1.615 10.498 1.00 0.00 H new ATOM 987 N TRP A 72 -3.020 2.913 6.992 1.00 0.00 N ATOM 988 CA TRP A 72 -4.246 3.676 6.782 1.00 0.00 C ATOM 989 C TRP A 72 -5.347 2.791 6.209 1.00 0.00 C ATOM 990 O TRP A 72 -6.510 2.902 6.596 1.00 0.00 O ATOM 991 CB TRP A 72 -3.982 4.855 5.843 1.00 0.00 C ATOM 992 CG TRP A 72 -3.240 5.980 6.498 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.905 6.084 7.818 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.742 7.163 5.862 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.229 7.259 8.041 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.116 7.939 6.857 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.763 7.641 4.549 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.518 9.165 6.578 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.170 8.858 4.274 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.554 9.609 5.284 1.00 0.00 C ATOM 0 H TRP A 72 -2.244 3.186 6.389 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.578 4.056 7.748 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.411 4.505 4.983 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.933 5.228 5.464 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.137 5.350 8.575 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.869 7.574 8.942 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.234 7.069 3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.043 9.745 7.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.181 9.237 3.263 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.099 10.557 5.036 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.973 1.910 5.286 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.929 1.005 4.661 1.00 0.00 C ATOM 1013 C VAL A 73 -6.536 0.053 5.687 1.00 0.00 C ATOM 1014 O VAL A 73 -7.686 -0.366 5.558 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.271 0.180 3.539 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.723 1.096 2.455 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.173 -0.708 4.104 1.00 0.00 C ATOM 0 H VAL A 73 -4.014 1.804 4.955 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.717 1.624 4.232 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.030 -0.461 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.262 0.496 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.536 1.685 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.978 1.765 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.719 -1.284 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.413 -0.088 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.599 -1.389 4.841 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.754 -0.285 6.707 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.213 -1.186 7.757 1.00 0.00 C ATOM 1029 C LYS A 74 -7.520 -0.689 8.367 1.00 0.00 C ATOM 1030 O LYS A 74 -7.635 0.475 8.750 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.147 -1.317 8.847 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.789 -1.748 8.320 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.877 -2.212 9.443 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.598 -2.833 8.902 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.713 -3.323 9.995 1.00 0.00 N ATOM 0 H LYS A 74 -4.799 0.052 6.828 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.389 -2.164 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.042 -0.360 9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.485 -2.040 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.917 -2.554 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.322 -0.917 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.629 -1.366 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.402 -2.939 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.849 -3.661 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.062 -2.097 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.147 -3.739 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.453 -2.528 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.215 -4.044 10.551 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.503 -1.580 8.457 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.788 -1.214 9.023 1.00 0.00 C ATOM 1051 C GLY A 75 -10.700 -0.552 8.009 1.00 0.00 C ATOM 1052 O GLY A 75 -11.924 -0.653 8.105 1.00 0.00 O ATOM 0 H GLY A 75 -8.432 -2.549 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.275 -2.106 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.632 -0.537 9.863 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.105 0.129 7.036 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.872 0.810 5.999 1.00 0.00 C ATOM 1058 C LYS A 76 -11.243 -0.152 4.876 1.00 0.00 C ATOM 1059 O LYS A 76 -10.679 -1.241 4.764 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.072 1.986 5.435 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.719 3.037 6.473 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.364 4.365 5.825 1.00 0.00 C ATOM 1063 CE LYS A 76 -10.597 5.229 5.612 1.00 0.00 C ATOM 1064 NZ LYS A 76 -11.107 5.793 6.893 1.00 0.00 N ATOM 0 H LYS A 76 -9.094 0.224 6.943 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.791 1.186 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.153 1.608 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.646 2.455 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.560 3.176 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.879 2.688 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.649 4.898 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.875 4.185 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.357 6.042 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.379 4.635 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.762 6.575 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.606 5.051 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.309 6.147 7.459 1.00 0.00 H new ATOM 1078 N THR A 77 -12.195 0.257 4.043 1.00 0.00 N ATOM 1079 CA THR A 77 -12.642 -0.568 2.928 1.00 0.00 C ATOM 1080 C THR A 77 -11.957 -0.156 1.630 1.00 0.00 C ATOM 1081 O THR A 77 -11.585 1.005 1.453 1.00 0.00 O ATOM 1082 CB THR A 77 -14.168 -0.480 2.739 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.527 0.814 2.242 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.891 -0.743 4.052 1.00 0.00 C ATOM 0 H THR A 77 -12.672 1.156 4.120 1.00 0.00 H new ATOM 0 HA THR A 77 -12.372 -1.596 3.169 1.00 0.00 H new ATOM 0 HB THR A 77 -14.467 -1.241 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.269 0.727 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.967 -0.676 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.639 -1.740 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.585 -0.002 4.790 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.792 -1.113 0.723 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.153 -0.849 -0.561 1.00 0.00 C ATOM 1094 C VAL A 78 -11.582 0.503 -1.121 1.00 0.00 C ATOM 1095 O VAL A 78 -10.752 1.286 -1.580 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.484 -1.947 -1.589 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.029 -3.307 -1.084 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -12.973 -1.954 -1.899 1.00 0.00 C ATOM 0 H VAL A 78 -12.092 -2.079 0.854 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.078 -0.840 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.945 -1.731 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.272 -4.070 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.952 -3.292 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.537 -3.536 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.189 -2.736 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.534 -2.145 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.264 -0.987 -2.308 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.884 0.768 -1.078 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.423 2.026 -1.582 1.00 0.00 C ATOM 1110 C GLU A 79 -12.695 3.216 -0.963 1.00 0.00 C ATOM 1111 O GLU A 79 -12.282 4.137 -1.667 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.921 2.120 -1.285 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.726 0.959 -1.843 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.045 0.762 -1.121 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.046 0.788 0.128 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -18.075 0.582 -1.803 1.00 0.00 O ATOM 0 H GLU A 79 -13.584 0.130 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.272 2.050 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.067 2.167 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.307 3.051 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.918 1.131 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.136 0.045 -1.770 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.544 3.189 0.357 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.868 4.266 1.070 1.00 0.00 C ATOM 1125 C GLU A 80 -10.425 4.413 0.594 1.00 0.00 C ATOM 1126 O GLU A 80 -9.995 5.500 0.209 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.894 4.005 2.578 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.297 3.893 3.151 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.079 5.187 3.038 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.617 5.460 1.944 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.154 5.926 4.042 1.00 0.00 O ATOM 0 H GLU A 80 -12.880 2.434 0.954 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.399 5.195 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.350 3.084 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.366 4.811 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.836 3.101 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.235 3.601 4.199 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.684 3.310 0.623 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.291 3.315 0.193 1.00 0.00 C ATOM 1140 C ALA A 81 -8.132 4.030 -1.144 1.00 0.00 C ATOM 1141 O ALA A 81 -7.190 4.800 -1.339 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.764 1.891 0.098 1.00 0.00 C ATOM 0 H ALA A 81 -10.025 2.402 0.940 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.708 3.858 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.723 1.909 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.834 1.411 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.358 1.331 -0.624 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.056 3.771 -2.062 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.017 4.390 -3.382 1.00 0.00 C ATOM 1150 C LEU A 82 -8.980 5.911 -3.270 1.00 0.00 C ATOM 1151 O LEU A 82 -8.379 6.592 -4.101 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.232 3.958 -4.206 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.043 2.718 -5.080 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.074 3.009 -6.216 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.552 1.546 -4.244 1.00 0.00 C ATOM 0 H LEU A 82 -9.841 3.137 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.108 4.059 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.062 3.774 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.525 4.789 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.007 2.451 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.952 2.115 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.467 3.819 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.108 3.302 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.423 0.672 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.598 1.802 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.282 1.322 -3.466 1.00 0.00 H new ATOM 1167 N THR A 83 -9.625 6.439 -2.234 1.00 0.00 N ATOM 1168 CA THR A 83 -9.665 7.878 -2.011 1.00 0.00 C ATOM 1169 C THR A 83 -8.321 8.395 -1.512 1.00 0.00 C ATOM 1170 O THR A 83 -7.924 9.519 -1.820 1.00 0.00 O ATOM 1171 CB THR A 83 -10.758 8.260 -0.995 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.326 7.940 0.332 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.058 7.531 -1.300 1.00 0.00 C ATOM 0 H THR A 83 -10.127 5.890 -1.536 1.00 0.00 H new ATOM 0 HA THR A 83 -9.895 8.339 -2.971 1.00 0.00 H new ATOM 0 HB THR A 83 -10.935 9.333 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.568 7.014 0.540 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.815 7.816 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.399 7.799 -2.300 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.892 6.455 -1.249 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.624 7.568 -0.740 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.322 7.942 -0.200 1.00 0.00 C ATOM 1183 C ILE A 84 -5.407 8.479 -1.295 1.00 0.00 C ATOM 1184 O ILE A 84 -5.100 7.780 -2.261 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.635 6.748 0.489 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.485 6.249 1.659 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.245 7.141 0.967 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.980 4.957 2.264 1.00 0.00 C ATOM 0 H ILE A 84 -7.939 6.635 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.499 8.724 0.538 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.534 5.938 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.512 7.017 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.510 6.105 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.772 6.287 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.642 7.454 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.324 7.964 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.630 4.662 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.980 4.175 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.966 5.102 2.636 1.00 0.00 H new ATOM 1200 N LYS A 85 -4.971 9.724 -1.136 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.086 10.355 -2.108 1.00 0.00 C ATOM 1202 C LYS A 85 -2.643 10.348 -1.616 1.00 0.00 C ATOM 1203 O LYS A 85 -2.346 9.826 -0.542 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.537 11.792 -2.380 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.999 11.907 -2.774 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.890 12.108 -1.559 1.00 0.00 C ATOM 1207 CE LYS A 85 -8.340 12.328 -1.962 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.584 13.726 -2.413 1.00 0.00 N ATOM 0 H LYS A 85 -5.216 10.316 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.137 9.783 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.361 12.394 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.921 12.213 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.127 12.743 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.305 11.006 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.820 11.237 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.537 12.965 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.603 11.637 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.990 12.100 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.583 13.836 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.357 14.385 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.982 13.936 -3.235 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.749 10.933 -2.408 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.337 10.994 -2.051 1.00 0.00 C ATOM 1224 C ASN A 86 -0.023 12.278 -1.289 1.00 0.00 C ATOM 1225 O ASN A 86 0.737 12.269 -0.321 1.00 0.00 O ATOM 1226 CB ASN A 86 0.532 10.909 -3.308 1.00 0.00 C ATOM 1227 CG ASN A 86 0.839 12.274 -3.892 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.448 13.120 -3.236 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.418 12.496 -5.132 1.00 0.00 N ATOM 0 H ASN A 86 -1.978 11.371 -3.300 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.115 10.145 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.466 10.402 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.024 10.302 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.596 13.396 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.083 11.766 -5.639 1.00 0.00 H new ATOM 1236 N THR A 87 -0.616 13.383 -1.733 1.00 0.00 N ATOM 1237 CA THR A 87 -0.400 14.675 -1.094 1.00 0.00 C ATOM 1238 C THR A 87 -0.396 14.543 0.425 1.00 0.00 C ATOM 1239 O THR A 87 0.509 15.038 1.098 1.00 0.00 O ATOM 1240 CB THR A 87 -1.480 15.693 -1.506 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.777 15.204 -1.146 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.430 15.957 -3.004 1.00 0.00 C ATOM 0 H THR A 87 -1.249 13.408 -2.532 1.00 0.00 H new ATOM 0 HA THR A 87 0.574 15.034 -1.428 1.00 0.00 H new ATOM 0 HB THR A 87 -1.286 16.628 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.458 15.858 -1.410 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.201 16.679 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.451 16.356 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.601 15.026 -3.544 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.411 13.873 0.959 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.523 13.674 2.399 1.00 0.00 C ATOM 1252 C ASP A 88 -0.248 13.055 2.963 1.00 0.00 C ATOM 1253 O ASP A 88 0.317 13.553 3.938 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.723 12.782 2.721 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.038 13.409 2.302 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.093 14.651 2.184 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.013 12.657 2.093 1.00 0.00 O ATOM 0 H ASP A 88 -2.168 13.458 0.416 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.669 14.649 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.604 11.822 2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.745 12.580 3.792 1.00 0.00 H new ATOM 1262 N ILE A 89 0.200 11.968 2.345 1.00 0.00 N ATOM 1263 CA ILE A 89 1.408 11.282 2.786 1.00 0.00 C ATOM 1264 C ILE A 89 2.618 12.209 2.731 1.00 0.00 C ATOM 1265 O ILE A 89 3.302 12.413 3.734 1.00 0.00 O ATOM 1266 CB ILE A 89 1.692 10.035 1.927 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.460 9.129 1.882 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.893 9.278 2.474 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.570 8.009 0.871 1.00 0.00 C ATOM 0 H ILE A 89 -0.255 11.543 1.537 1.00 0.00 H new ATOM 0 HA ILE A 89 1.237 10.973 3.817 1.00 0.00 H new ATOM 0 HB ILE A 89 1.921 10.356 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.298 8.700 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.417 9.733 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.081 8.400 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.769 9.926 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.690 8.965 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.339 7.407 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.701 8.430 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.427 7.381 1.115 1.00 0.00 H new ATOM 1281 N ALA A 90 2.874 12.769 1.554 1.00 0.00 N ATOM 1282 CA ALA A 90 3.999 13.678 1.369 1.00 0.00 C ATOM 1283 C ALA A 90 4.038 14.733 2.469 1.00 0.00 C ATOM 1284 O ALA A 90 5.099 15.040 3.013 1.00 0.00 O ATOM 1285 CB ALA A 90 3.923 14.340 0.002 1.00 0.00 C ATOM 0 H ALA A 90 2.318 12.610 0.714 1.00 0.00 H new ATOM 0 HA ALA A 90 4.919 13.096 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.769 15.016 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.952 13.576 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.993 14.904 -0.078 1.00 0.00 H new ATOM 1291 N LYS A 91 2.874 15.288 2.792 1.00 0.00 N ATOM 1292 CA LYS A 91 2.774 16.309 3.827 1.00 0.00 C ATOM 1293 C LYS A 91 2.929 15.695 5.215 1.00 0.00 C ATOM 1294 O LYS A 91 3.553 16.283 6.097 1.00 0.00 O ATOM 1295 CB LYS A 91 1.431 17.037 3.727 1.00 0.00 C ATOM 1296 CG LYS A 91 1.210 18.059 4.828 1.00 0.00 C ATOM 1297 CD LYS A 91 0.011 18.946 4.533 1.00 0.00 C ATOM 1298 CE LYS A 91 0.053 20.229 5.348 1.00 0.00 C ATOM 1299 NZ LYS A 91 -0.311 19.993 6.773 1.00 0.00 N ATOM 0 H LYS A 91 1.986 15.047 2.351 1.00 0.00 H new ATOM 0 HA LYS A 91 3.581 17.025 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.370 17.537 2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.626 16.303 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.059 17.545 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.102 18.676 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.010 19.189 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.908 18.403 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.053 20.660 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.632 20.958 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.271 20.892 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.275 19.605 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.358 19.317 7.195 1.00 0.00 H new ATOM 1313 N GLU A 92 2.358 14.508 5.399 1.00 0.00 N ATOM 1314 CA GLU A 92 2.435 13.815 6.679 1.00 0.00 C ATOM 1315 C GLU A 92 3.887 13.582 7.086 1.00 0.00 C ATOM 1316 O GLU A 92 4.310 13.976 8.174 1.00 0.00 O ATOM 1317 CB GLU A 92 1.693 12.479 6.606 1.00 0.00 C ATOM 1318 CG GLU A 92 0.208 12.589 6.907 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.086 13.536 8.054 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.077 13.080 9.217 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -0.325 14.732 7.789 1.00 0.00 O ATOM 0 H GLU A 92 1.838 14.007 4.678 1.00 0.00 H new ATOM 0 HA GLU A 92 1.962 14.444 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.823 12.055 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.147 11.782 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.315 12.932 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.184 11.601 7.147 1.00 0.00 H new ATOM 1328 N LEU A 93 4.646 12.939 6.206 1.00 0.00 N ATOM 1329 CA LEU A 93 6.051 12.652 6.472 1.00 0.00 C ATOM 1330 C LEU A 93 6.913 13.887 6.235 1.00 0.00 C ATOM 1331 O LEU A 93 8.053 13.960 6.697 1.00 0.00 O ATOM 1332 CB LEU A 93 6.534 11.501 5.587 1.00 0.00 C ATOM 1333 CG LEU A 93 5.936 10.127 5.889 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.422 10.161 5.751 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.533 9.072 4.969 1.00 0.00 C ATOM 0 H LEU A 93 4.312 12.606 5.302 1.00 0.00 H new ATOM 0 HA LEU A 93 6.145 12.361 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.315 11.750 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.618 11.431 5.676 1.00 0.00 H new ATOM 0 HG LEU A 93 6.181 9.864 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.014 9.174 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.009 10.887 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.156 10.446 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.096 8.100 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.319 9.331 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.612 9.029 5.117 1.00 0.00 H new ATOM 1347 N CYS A 94 6.362 14.857 5.514 1.00 0.00 N ATOM 1348 CA CYS A 94 7.081 16.091 5.216 1.00 0.00 C ATOM 1349 C CYS A 94 8.376 15.799 4.466 1.00 0.00 C ATOM 1350 O CYS A 94 9.456 16.222 4.882 1.00 0.00 O ATOM 1351 CB CYS A 94 7.385 16.853 6.507 1.00 0.00 C ATOM 1352 SG CYS A 94 5.992 17.815 7.142 1.00 0.00 S ATOM 0 H CYS A 94 5.420 14.813 5.125 1.00 0.00 H new ATOM 0 HA CYS A 94 6.446 16.708 4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.699 16.142 7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.226 17.524 6.331 1.00 0.00 H new ATOM 0 HG CYS A 94 4.877 17.278 6.745 1.00 0.00 H new ATOM 1358 N LEU A 95 8.263 15.072 3.361 1.00 0.00 N ATOM 1359 CA LEU A 95 9.426 14.720 2.553 1.00 0.00 C ATOM 1360 C LEU A 95 9.713 15.799 1.514 1.00 0.00 C ATOM 1361 O LEU A 95 8.826 16.542 1.092 1.00 0.00 O ATOM 1362 CB LEU A 95 9.202 13.375 1.860 1.00 0.00 C ATOM 1363 CG LEU A 95 7.988 13.291 0.934 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.377 13.656 -0.491 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.377 11.898 0.981 1.00 0.00 C ATOM 0 H LEU A 95 7.377 14.714 3.003 1.00 0.00 H new ATOM 0 HA LEU A 95 10.288 14.641 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.093 13.135 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.103 12.606 2.626 1.00 0.00 H new ATOM 0 HG LEU A 95 7.241 14.006 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.500 13.591 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.768 14.673 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.142 12.966 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.514 11.856 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.117 11.165 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.061 11.673 2.000 1.00 0.00 H new ATOM 1377 N PRO A 96 10.981 15.888 1.088 1.00 0.00 N ATOM 1378 CA PRO A 96 11.415 16.871 0.090 1.00 0.00 C ATOM 1379 C PRO A 96 10.866 16.567 -1.300 1.00 0.00 C ATOM 1380 O PRO A 96 10.288 15.509 -1.547 1.00 0.00 O ATOM 1381 CB PRO A 96 12.940 16.742 0.103 1.00 0.00 C ATOM 1382 CG PRO A 96 13.198 15.354 0.580 1.00 0.00 C ATOM 1383 CD PRO A 96 12.091 15.036 1.547 1.00 0.00 C ATOM 0 HA PRO A 96 11.057 17.874 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.360 16.904 -0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.394 17.479 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.203 14.650 -0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.172 15.282 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.824 13.979 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.376 15.266 2.574 1.00 0.00 H new ATOM 1391 N PRO A 97 11.051 17.515 -2.230 1.00 0.00 N ATOM 1392 CA PRO A 97 10.582 17.370 -3.612 1.00 0.00 C ATOM 1393 C PRO A 97 11.372 16.320 -4.385 1.00 0.00 C ATOM 1394 O PRO A 97 10.956 15.879 -5.456 1.00 0.00 O ATOM 1395 CB PRO A 97 10.811 18.760 -4.212 1.00 0.00 C ATOM 1396 CG PRO A 97 11.910 19.348 -3.395 1.00 0.00 C ATOM 1397 CD PRO A 97 11.732 18.801 -2.006 1.00 0.00 C ATOM 0 HA PRO A 97 9.545 17.036 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.090 18.696 -5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.908 19.368 -4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.885 19.076 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.857 20.437 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.689 18.666 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.135 19.469 -1.385 1.00 0.00 H new ATOM 1405 N VAL A 98 12.515 15.922 -3.834 1.00 0.00 N ATOM 1406 CA VAL A 98 13.363 14.921 -4.472 1.00 0.00 C ATOM 1407 C VAL A 98 12.843 13.513 -4.209 1.00 0.00 C ATOM 1408 O VAL A 98 12.971 12.624 -5.051 1.00 0.00 O ATOM 1409 CB VAL A 98 14.818 15.021 -3.976 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.882 14.839 -2.467 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.692 13.996 -4.682 1.00 0.00 C ATOM 0 H VAL A 98 12.875 16.277 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 98 13.338 15.120 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 98 15.197 16.015 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.918 14.913 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.289 15.614 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.485 13.859 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.717 14.080 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.316 12.994 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.671 14.178 -5.756 1.00 0.00 H new ATOM 1421 N LYS A 99 12.255 13.315 -3.034 1.00 0.00 N ATOM 1422 CA LYS A 99 11.713 12.014 -2.658 1.00 0.00 C ATOM 1423 C LYS A 99 10.222 11.937 -2.966 1.00 0.00 C ATOM 1424 O LYS A 99 9.482 11.190 -2.324 1.00 0.00 O ATOM 1425 CB LYS A 99 11.952 11.749 -1.170 1.00 0.00 C ATOM 1426 CG LYS A 99 13.422 11.669 -0.795 1.00 0.00 C ATOM 1427 CD LYS A 99 14.138 10.579 -1.574 1.00 0.00 C ATOM 1428 CE LYS A 99 15.614 10.513 -1.213 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.446 11.346 -2.125 1.00 0.00 N ATOM 0 H LYS A 99 12.141 14.039 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 99 12.227 11.251 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.480 12.541 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.464 10.815 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.900 12.629 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.516 11.475 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.669 9.616 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.032 10.765 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.752 10.851 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.953 9.478 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.445 11.274 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.334 11.008 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.140 12.338 -2.065 1.00 0.00 H new ATOM 1443 N LEU A 100 9.785 12.712 -3.953 1.00 0.00 N ATOM 1444 CA LEU A 100 8.380 12.730 -4.347 1.00 0.00 C ATOM 1445 C LEU A 100 7.952 11.374 -4.898 1.00 0.00 C ATOM 1446 O LEU A 100 6.904 10.844 -4.527 1.00 0.00 O ATOM 1447 CB LEU A 100 8.139 13.819 -5.394 1.00 0.00 C ATOM 1448 CG LEU A 100 7.752 15.196 -4.854 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.753 16.227 -5.972 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.390 15.141 -4.179 1.00 0.00 C ATOM 0 H LEU A 100 10.383 13.336 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 100 7.782 12.946 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.044 13.927 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.351 13.480 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 100 8.492 15.494 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.475 17.201 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.749 16.287 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.036 15.933 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.131 16.130 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.639 14.821 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.423 14.433 -3.351 1.00 0.00 H new ATOM 1462 N HIS A 101 8.770 10.816 -5.784 1.00 0.00 N ATOM 1463 CA HIS A 101 8.477 9.519 -6.384 1.00 0.00 C ATOM 1464 C HIS A 101 7.865 8.571 -5.357 1.00 0.00 C ATOM 1465 O HIS A 101 6.963 7.795 -5.675 1.00 0.00 O ATOM 1466 CB HIS A 101 9.750 8.904 -6.968 1.00 0.00 C ATOM 1467 CG HIS A 101 10.782 8.571 -5.935 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.637 9.509 -5.395 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.094 7.395 -5.342 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.430 8.924 -4.516 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.121 7.641 -4.464 1.00 0.00 N ATOM 0 H HIS A 101 9.641 11.241 -6.103 1.00 0.00 H new ATOM 0 HA HIS A 101 7.755 9.672 -7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.488 7.998 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.181 9.598 -7.690 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.623 6.441 -5.525 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.201 9.412 -3.938 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.572 6.946 -3.869 1.00 0.00 H new ATOM 1479 N CYS A 102 8.360 8.639 -4.127 1.00 0.00 N ATOM 1480 CA CYS A 102 7.863 7.786 -3.054 1.00 0.00 C ATOM 1481 C CYS A 102 6.416 8.129 -2.713 1.00 0.00 C ATOM 1482 O CYS A 102 5.517 7.306 -2.880 1.00 0.00 O ATOM 1483 CB CYS A 102 8.741 7.931 -1.810 1.00 0.00 C ATOM 1484 SG CYS A 102 10.427 7.313 -2.021 1.00 0.00 S ATOM 0 H CYS A 102 9.106 9.276 -3.848 1.00 0.00 H new ATOM 0 HA CYS A 102 7.901 6.752 -3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.784 8.983 -1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.271 7.399 -0.983 1.00 0.00 H new ATOM 0 HG CYS A 102 11.018 7.978 -2.969 1.00 0.00 H new ATOM 1490 N SER A 103 6.201 9.349 -2.232 1.00 0.00 N ATOM 1491 CA SER A 103 4.864 9.799 -1.861 1.00 0.00 C ATOM 1492 C SER A 103 3.811 9.190 -2.781 1.00 0.00 C ATOM 1493 O SER A 103 2.849 8.576 -2.321 1.00 0.00 O ATOM 1494 CB SER A 103 4.784 11.326 -1.917 1.00 0.00 C ATOM 1495 OG SER A 103 4.826 11.791 -3.255 1.00 0.00 O ATOM 0 H SER A 103 6.935 10.043 -2.090 1.00 0.00 H new ATOM 0 HA SER A 103 4.666 9.468 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.863 11.663 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.611 11.757 -1.353 1.00 0.00 H new ATOM 0 HG SER A 103 5.614 11.421 -3.705 1.00 0.00 H new ATOM 1501 N MET A 104 4.001 9.363 -4.085 1.00 0.00 N ATOM 1502 CA MET A 104 3.069 8.829 -5.071 1.00 0.00 C ATOM 1503 C MET A 104 3.120 7.305 -5.098 1.00 0.00 C ATOM 1504 O MET A 104 2.090 6.641 -5.227 1.00 0.00 O ATOM 1505 CB MET A 104 3.387 9.386 -6.460 1.00 0.00 C ATOM 1506 CG MET A 104 4.823 9.144 -6.898 1.00 0.00 C ATOM 1507 SD MET A 104 5.217 9.948 -8.463 1.00 0.00 S ATOM 1508 CE MET A 104 5.182 11.671 -7.976 1.00 0.00 C ATOM 0 H MET A 104 4.792 9.869 -4.483 1.00 0.00 H new ATOM 0 HA MET A 104 2.063 9.136 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.713 8.933 -7.187 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.190 10.458 -6.467 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.501 9.509 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.994 8.072 -6.992 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.720 12.268 -8.712 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.148 12.012 -7.918 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.656 11.783 -7.001 1.00 0.00 H new ATOM 1518 N LEU A 105 4.323 6.756 -4.975 1.00 0.00 N ATOM 1519 CA LEU A 105 4.508 5.309 -4.986 1.00 0.00 C ATOM 1520 C LEU A 105 3.528 4.628 -4.036 1.00 0.00 C ATOM 1521 O LEU A 105 2.926 3.609 -4.375 1.00 0.00 O ATOM 1522 CB LEU A 105 5.944 4.956 -4.594 1.00 0.00 C ATOM 1523 CG LEU A 105 6.458 3.599 -5.079 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.778 3.649 -6.564 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.683 3.177 -4.281 1.00 0.00 C ATOM 0 H LEU A 105 5.185 7.291 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 105 4.315 4.950 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.606 5.732 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.020 4.983 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 105 5.674 2.858 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.142 2.675 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.877 3.905 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.544 4.402 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.035 2.210 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.472 3.919 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.421 3.099 -3.226 1.00 0.00 H new ATOM 1537 N ALA A 106 3.372 5.198 -2.846 1.00 0.00 N ATOM 1538 CA ALA A 106 2.462 4.649 -1.849 1.00 0.00 C ATOM 1539 C ALA A 106 1.027 4.631 -2.366 1.00 0.00 C ATOM 1540 O ALA A 106 0.290 3.670 -2.145 1.00 0.00 O ATOM 1541 CB ALA A 106 2.549 5.448 -0.557 1.00 0.00 C ATOM 0 H ALA A 106 3.864 6.040 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 106 2.761 3.620 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.864 5.026 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.567 5.405 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.278 6.486 -0.752 1.00 0.00 H new ATOM 1547 N GLU A 107 0.637 5.700 -3.054 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.710 5.806 -3.600 1.00 0.00 C ATOM 1549 C GLU A 107 -0.954 4.734 -4.659 1.00 0.00 C ATOM 1550 O GLU A 107 -1.980 4.054 -4.644 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.932 7.194 -4.204 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.355 7.430 -4.683 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.466 8.619 -5.617 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -2.094 8.479 -6.801 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -2.925 9.688 -5.165 1.00 0.00 O ATOM 0 H GLU A 107 1.235 6.504 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.417 5.655 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.678 7.949 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.248 7.330 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.715 6.537 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.003 7.588 -3.821 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.005 4.591 -5.577 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.115 3.602 -6.643 1.00 0.00 C ATOM 1564 C ASP A 108 -0.216 2.193 -6.069 1.00 0.00 C ATOM 1565 O ASP A 108 -1.033 1.387 -6.515 1.00 0.00 O ATOM 1566 CB ASP A 108 1.088 3.699 -7.583 1.00 0.00 C ATOM 1567 CG ASP A 108 1.096 4.987 -8.383 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.528 5.989 -7.901 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.672 4.993 -9.491 1.00 0.00 O ATOM 0 H ASP A 108 0.849 5.147 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.024 3.811 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.007 3.631 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.080 2.850 -8.267 1.00 0.00 H new ATOM 1574 N ALA A 109 0.621 1.901 -5.079 1.00 0.00 N ATOM 1575 CA ALA A 109 0.625 0.589 -4.443 1.00 0.00 C ATOM 1576 C ALA A 109 -0.752 0.245 -3.886 1.00 0.00 C ATOM 1577 O ALA A 109 -1.261 -0.855 -4.100 1.00 0.00 O ATOM 1578 CB ALA A 109 1.670 0.541 -3.339 1.00 0.00 C ATOM 0 H ALA A 109 1.305 2.555 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 109 0.878 -0.154 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.662 -0.444 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.656 0.734 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.442 1.299 -2.589 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.349 1.192 -3.169 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.667 0.988 -2.582 1.00 0.00 C ATOM 1586 C ILE A 110 -3.695 0.626 -3.649 1.00 0.00 C ATOM 1587 O ILE A 110 -4.270 -0.462 -3.630 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.147 2.241 -1.827 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.185 2.575 -0.685 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.557 2.032 -1.295 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.334 3.987 -0.162 1.00 0.00 C ATOM 0 H ILE A 110 -0.940 2.108 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.573 0.162 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.163 3.081 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.348 1.874 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.161 2.430 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.882 2.927 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.234 1.838 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.566 1.182 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.621 4.153 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.141 4.696 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.347 4.131 0.213 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.920 1.546 -4.581 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.876 1.325 -5.660 1.00 0.00 C ATOM 1605 C LYS A 111 -4.681 -0.053 -6.286 1.00 0.00 C ATOM 1606 O LYS A 111 -5.614 -0.852 -6.354 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.728 2.408 -6.730 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.581 3.638 -6.473 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.831 4.677 -5.656 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.666 5.930 -5.446 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.452 6.928 -6.530 1.00 0.00 N ATOM 0 H LYS A 111 -3.453 2.452 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.880 1.375 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.682 2.708 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.994 1.988 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.888 4.074 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.490 3.348 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.559 4.254 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.902 4.938 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.721 5.660 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.413 6.378 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.931 7.817 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.433 7.103 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.842 6.561 -7.422 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.461 -0.324 -6.740 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.144 -1.606 -7.357 1.00 0.00 C ATOM 1627 C ALA A 112 -3.714 -2.763 -6.543 1.00 0.00 C ATOM 1628 O ALA A 112 -4.283 -3.702 -7.098 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.638 -1.759 -7.511 1.00 0.00 C ATOM 0 H ALA A 112 -2.677 0.327 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.604 -1.629 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.415 -2.721 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.253 -0.956 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.165 -1.710 -6.530 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.557 -2.688 -5.226 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.058 -3.728 -4.336 1.00 0.00 C ATOM 1637 C ALA A 113 -5.542 -3.987 -4.574 1.00 0.00 C ATOM 1638 O ALA A 113 -5.923 -5.029 -5.110 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.814 -3.344 -2.884 1.00 0.00 C ATOM 0 H ALA A 113 -3.087 -1.917 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.516 -4.648 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.193 -4.130 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.745 -3.217 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.329 -2.409 -2.663 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.376 -3.033 -4.174 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.819 -3.159 -4.343 1.00 0.00 C ATOM 1647 C LEU A 114 -8.167 -3.553 -5.775 1.00 0.00 C ATOM 1648 O LEU A 114 -8.758 -4.606 -6.013 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.511 -1.843 -3.982 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.073 -1.192 -2.670 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.619 -2.250 -1.676 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.964 -0.181 -2.919 1.00 0.00 C ATOM 0 H LEU A 114 -6.078 -2.164 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.171 -3.944 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.341 -1.133 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.585 -2.022 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.927 -0.665 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.311 -1.769 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.442 -2.936 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.779 -2.805 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.665 0.272 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.107 -0.684 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.324 0.595 -3.595 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.794 -2.702 -6.725 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.062 -2.964 -8.134 1.00 0.00 C ATOM 1666 C ALA A 115 -7.819 -4.430 -8.476 1.00 0.00 C ATOM 1667 O ALA A 115 -8.749 -5.160 -8.820 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.203 -2.066 -9.011 1.00 0.00 C ATOM 0 H ALA A 115 -7.305 -1.825 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.112 -2.743 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.414 -2.273 -10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.429 -1.022 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.150 -2.259 -8.808 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.564 -4.855 -8.379 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.199 -6.235 -8.678 1.00 0.00 C ATOM 1676 C ASP A 116 -7.200 -7.208 -8.062 1.00 0.00 C ATOM 1677 O ASP A 116 -7.696 -8.112 -8.734 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.792 -6.536 -8.160 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.245 -7.845 -8.695 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.003 -7.931 -9.916 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.061 -8.784 -7.891 1.00 0.00 O ATOM 0 H ASP A 116 -5.782 -4.264 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.215 -6.363 -9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.123 -5.723 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.809 -6.571 -7.071 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.491 -7.016 -6.780 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.430 -7.878 -6.073 1.00 0.00 C ATOM 1688 C TYR A 117 -9.793 -7.878 -6.758 1.00 0.00 C ATOM 1689 O TYR A 117 -10.452 -8.913 -6.859 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.577 -7.424 -4.620 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.951 -7.679 -4.042 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.258 -8.892 -3.438 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.941 -6.706 -4.098 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.512 -9.129 -2.910 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.198 -6.934 -3.571 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.478 -8.147 -2.978 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.728 -8.379 -2.451 1.00 0.00 O ATOM 0 H TYR A 117 -7.090 -6.271 -6.210 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.035 -8.894 -6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.834 -7.939 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.358 -6.358 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.503 -9.662 -3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.725 -5.755 -4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.735 -10.079 -2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.956 -6.167 -3.623 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.290 -7.586 -2.580 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.211 -6.708 -7.229 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.494 -6.569 -7.908 1.00 0.00 C ATOM 1709 C LYS A 118 -11.484 -7.302 -9.245 1.00 0.00 C ATOM 1710 O LYS A 118 -12.435 -8.007 -9.585 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.821 -5.090 -8.127 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.186 -4.352 -6.851 1.00 0.00 C ATOM 1713 CD LYS A 118 -12.062 -2.847 -7.021 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.688 -2.167 -5.714 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.246 -0.789 -5.625 1.00 0.00 N ATOM 0 H LYS A 118 -9.679 -5.841 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.262 -7.014 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.962 -4.601 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.648 -5.010 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.207 -4.604 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.536 -4.682 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.307 -2.626 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -13.006 -2.442 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -12.055 -2.762 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.603 -2.126 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.968 -0.360 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.876 -0.214 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.283 -0.830 -5.685 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.404 -7.133 -10.000 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.270 -7.780 -11.300 1.00 0.00 C ATOM 1731 C LEU A 119 -10.651 -9.255 -11.216 1.00 0.00 C ATOM 1732 O LEU A 119 -11.387 -9.766 -12.060 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.837 -7.641 -11.816 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.229 -6.240 -11.740 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.927 -6.179 -12.523 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.214 -5.203 -12.259 1.00 0.00 C ATOM 0 H LEU A 119 -9.608 -6.553 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.949 -7.287 -11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.201 -8.322 -11.251 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.813 -7.970 -12.855 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.011 -6.016 -10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.510 -5.174 -12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.218 -6.895 -12.106 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.119 -6.424 -13.568 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.765 -4.212 -12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.463 -5.425 -13.297 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.121 -5.228 -11.655 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.147 -9.933 -10.191 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.437 -11.349 -9.993 1.00 0.00 C ATOM 1750 C LYS A 120 -11.924 -11.569 -9.738 1.00 0.00 C ATOM 1751 O LYS A 120 -12.502 -12.554 -10.198 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.621 -11.898 -8.821 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.185 -11.404 -8.794 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.267 -12.394 -8.097 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.685 -13.400 -9.078 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.868 -14.438 -8.389 1.00 0.00 N ATOM 0 H LYS A 120 -9.535 -9.525 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.160 -11.882 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.110 -11.620 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.621 -12.987 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.837 -11.239 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.140 -10.442 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.458 -11.856 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.821 -12.921 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.494 -13.881 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.068 -12.879 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.489 -15.105 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.081 -13.982 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.463 -14.953 -7.709 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.538 -10.646 -9.005 1.00 0.00 N ATOM 1771 CA GLN A 121 -13.959 -10.741 -8.691 1.00 0.00 C ATOM 1772 C GLN A 121 -14.806 -10.579 -9.948 1.00 0.00 C ATOM 1773 O GLN A 121 -15.870 -11.185 -10.073 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.346 -9.679 -7.660 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.552 -9.768 -6.367 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.772 -11.077 -5.635 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.824 -11.296 -5.033 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.778 -11.957 -5.684 1.00 0.00 N ATOM 0 H GLN A 121 -12.074 -9.824 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.148 -11.730 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.203 -8.691 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.408 -9.776 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.491 -9.654 -6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.832 -8.940 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.924 -11.734 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.869 -12.856 -5.211 1.00 0.00 H new