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= 0.0405 USER MOD Set 1.2: A 59 CYS SG : rot -142:sc= -0.97 USER MOD Set 1.3: A 101 HIS : no HE2:sc= -2.55! C(o=-8.5!,f=-13!) USER MOD Set 1.4: A 102 CYS SG : rot 21:sc= -5.01! USER MOD Set 2.1: A 56 THR OG1 : rot 137:sc= -0.407 USER MOD Set 2.2: A 66 SER OG : rot 101:sc= 0.428 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= -0.0643 X(o=-0.064,f=-0.12) USER MOD Single : A 22 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.31) USER MOD Single : A 37 MET CE :methyl 140:sc= -1.65 (180deg=-6.46!) USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= -1.62 (180deg=-5.15!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0143 (180deg=-0.233) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.2) USER MOD Single : A 61 SER OG : rot 140:sc= 0.0101 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 73:sc= 0.868 USER MOD Single : A 70 THR OG1 : rot -160:sc=-0.00558 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 83 THR OG1 : rot -73:sc= 1.06 USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0.00147 (180deg=-0.244) USER MOD Single : A 86 ASN : amide:sc= 0.365 K(o=0.36,f=-3.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= -0.082 (180deg=-0.477) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.0541 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -140:sc= -1.32 USER MOD Single : A 104 MET CE :methyl -127:sc= -0.161 (180deg=-3.28!) USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= 1.3 (180deg=1.23) 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+ -150:sc= -1.17 (180deg=-1.21) USER MOD Single : A 121 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.224 -13.474 -2.052 1.00 0.00 N ATOM 282 CA ASN A 22 -9.764 -12.513 -1.096 1.00 0.00 C ATOM 283 C ASN A 22 -8.763 -11.394 -0.826 1.00 0.00 C ATOM 284 O ASN A 22 -9.141 -10.291 -0.432 1.00 0.00 O ATOM 285 CB ASN A 22 -10.127 -13.215 0.214 1.00 0.00 C ATOM 286 CG ASN A 22 -8.957 -13.977 0.806 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.456 -14.929 0.208 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.516 -13.560 1.987 1.00 0.00 N ATOM 0 HA ASN A 22 -10.664 -12.075 -1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.477 -12.476 0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.953 -13.904 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.731 -14.034 2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.962 -12.766 2.447 1.00 0.00 H new ATOM 295 N VAL A 23 -7.484 -11.685 -1.042 1.00 0.00 N ATOM 296 CA VAL A 23 -6.429 -10.703 -0.824 1.00 0.00 C ATOM 297 C VAL A 23 -5.823 -10.245 -2.146 1.00 0.00 C ATOM 298 O VAL A 23 -5.519 -11.059 -3.017 1.00 0.00 O ATOM 299 CB VAL A 23 -5.311 -11.271 0.071 1.00 0.00 C ATOM 300 CG1 VAL A 23 -5.019 -12.719 -0.292 1.00 0.00 C ATOM 301 CG2 VAL A 23 -4.055 -10.420 -0.044 1.00 0.00 C ATOM 0 H VAL A 23 -7.154 -12.593 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.888 -9.850 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.649 -11.243 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.227 -13.103 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.920 -13.317 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.701 -12.776 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.275 -10.835 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.713 -10.415 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.277 -9.400 0.270 1.00 0.00 H new ATOM 311 N GLY A 24 -5.651 -8.934 -2.289 1.00 0.00 N ATOM 312 CA GLY A 24 -5.082 -8.389 -3.508 1.00 0.00 C ATOM 313 C GLY A 24 -3.584 -8.181 -3.405 1.00 0.00 C ATOM 314 O GLY A 24 -3.008 -8.277 -2.321 1.00 0.00 O ATOM 0 H GLY A 24 -5.896 -8.240 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.296 -9.062 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.563 -7.438 -3.737 1.00 0.00 H new ATOM 318 N THR A 25 -2.949 -7.895 -4.538 1.00 0.00 N ATOM 319 CA THR A 25 -1.508 -7.675 -4.572 1.00 0.00 C ATOM 320 C THR A 25 -1.155 -6.482 -5.452 1.00 0.00 C ATOM 321 O THR A 25 -1.384 -6.501 -6.661 1.00 0.00 O ATOM 322 CB THR A 25 -0.762 -8.920 -5.090 1.00 0.00 C ATOM 323 OG1 THR A 25 -1.230 -10.089 -4.409 1.00 0.00 O ATOM 324 CG2 THR A 25 0.738 -8.774 -4.887 1.00 0.00 C ATOM 0 H THR A 25 -3.410 -7.810 -5.444 1.00 0.00 H new ATOM 0 HA THR A 25 -1.194 -7.473 -3.548 1.00 0.00 H new ATOM 0 HB THR A 25 -0.960 -9.019 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.752 -10.876 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.244 -9.664 -5.260 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.095 -7.899 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.951 -8.653 -3.825 1.00 0.00 H new ATOM 332 N GLY A 26 -0.595 -5.444 -4.838 1.00 0.00 N ATOM 333 CA GLY A 26 -0.219 -4.256 -5.582 1.00 0.00 C ATOM 334 C GLY A 26 1.244 -3.900 -5.404 1.00 0.00 C ATOM 335 O GLY A 26 1.655 -3.450 -4.334 1.00 0.00 O ATOM 0 H GLY A 26 -0.395 -5.405 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.425 -4.413 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.836 -3.418 -5.258 1.00 0.00 H new ATOM 339 N LEU A 27 2.032 -4.103 -6.454 1.00 0.00 N ATOM 340 CA LEU A 27 3.459 -3.801 -6.409 1.00 0.00 C ATOM 341 C LEU A 27 3.790 -2.603 -7.292 1.00 0.00 C ATOM 342 O LEU A 27 3.403 -2.553 -8.459 1.00 0.00 O ATOM 343 CB LEU A 27 4.272 -5.018 -6.854 1.00 0.00 C ATOM 344 CG LEU A 27 5.728 -4.749 -7.237 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.461 -4.060 -6.097 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.427 -6.046 -7.617 1.00 0.00 C ATOM 0 H LEU A 27 1.708 -4.475 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 27 3.721 -3.554 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.259 -5.753 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.770 -5.472 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 27 5.740 -4.086 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.495 -3.877 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.974 -3.111 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.440 -4.697 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.462 -5.836 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.405 -6.733 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.916 -6.500 -8.466 1.00 0.00 H new ATOM 358 N VAL A 28 4.512 -1.639 -6.727 1.00 0.00 N ATOM 359 CA VAL A 28 4.899 -0.442 -7.464 1.00 0.00 C ATOM 360 C VAL A 28 6.277 0.046 -7.034 1.00 0.00 C ATOM 361 O VAL A 28 6.512 0.318 -5.857 1.00 0.00 O ATOM 362 CB VAL A 28 3.879 0.694 -7.264 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.584 0.386 -8.001 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.617 0.920 -5.783 1.00 0.00 C ATOM 0 H VAL A 28 4.840 -1.664 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 28 4.926 -0.715 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 28 4.297 1.611 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.876 1.200 -7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.788 0.278 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.159 -0.542 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.894 1.726 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.220 0.006 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.549 1.190 -5.286 1.00 0.00 H new ATOM 374 N GLY A 29 7.188 0.154 -7.997 1.00 0.00 N ATOM 375 CA GLY A 29 8.533 0.610 -7.699 1.00 0.00 C ATOM 376 C GLY A 29 8.913 1.849 -8.485 1.00 0.00 C ATOM 377 O GLY A 29 8.164 2.295 -9.354 1.00 0.00 O ATOM 0 H GLY A 29 7.018 -0.066 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.614 0.821 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.241 -0.188 -7.920 1.00 0.00 H new ATOM 381 N ALA A 30 10.079 2.408 -8.178 1.00 0.00 N ATOM 382 CA ALA A 30 10.557 3.603 -8.862 1.00 0.00 C ATOM 383 C ALA A 30 11.615 3.254 -9.903 1.00 0.00 C ATOM 384 O ALA A 30 12.564 2.516 -9.634 1.00 0.00 O ATOM 385 CB ALA A 30 11.112 4.601 -7.856 1.00 0.00 C ATOM 0 H ALA A 30 10.710 2.052 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 30 9.712 4.057 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.465 5.488 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.328 4.883 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.941 4.147 -7.312 1.00 0.00 H new ATOM 391 N PRO A 31 11.451 3.793 -11.119 1.00 0.00 N ATOM 392 CA PRO A 31 12.383 3.552 -12.225 1.00 0.00 C ATOM 393 C PRO A 31 13.734 4.224 -12.002 1.00 0.00 C ATOM 394 O PRO A 31 14.778 3.662 -12.330 1.00 0.00 O ATOM 395 CB PRO A 31 11.671 4.170 -13.431 1.00 0.00 C ATOM 396 CG PRO A 31 10.775 5.209 -12.850 1.00 0.00 C ATOM 397 CD PRO A 31 10.343 4.681 -11.510 1.00 0.00 C ATOM 0 HA PRO A 31 12.609 2.492 -12.343 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.384 4.608 -14.130 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.103 3.421 -13.982 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.297 6.160 -12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.915 5.387 -13.495 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.199 5.485 -10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.399 4.140 -11.577 1.00 0.00 H new ATOM 405 N ALA A 32 13.705 5.428 -11.441 1.00 0.00 N ATOM 406 CA ALA A 32 14.927 6.175 -11.172 1.00 0.00 C ATOM 407 C ALA A 32 15.587 5.701 -9.881 1.00 0.00 C ATOM 408 O ALA A 32 16.662 5.100 -9.906 1.00 0.00 O ATOM 409 CB ALA A 32 14.630 7.665 -11.098 1.00 0.00 C ATOM 0 H ALA A 32 12.848 5.907 -11.164 1.00 0.00 H new ATOM 0 HA ALA A 32 15.621 5.995 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.552 8.210 -10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.210 8.000 -12.047 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.914 7.854 -10.298 1.00 0.00 H new ATOM 415 N CYS A 33 14.938 5.976 -8.755 1.00 0.00 N ATOM 416 CA CYS A 33 15.462 5.579 -7.454 1.00 0.00 C ATOM 417 C CYS A 33 15.665 4.068 -7.387 1.00 0.00 C ATOM 418 O CYS A 33 16.521 3.578 -6.651 1.00 0.00 O ATOM 419 CB CYS A 33 14.512 6.026 -6.340 1.00 0.00 C ATOM 420 SG CYS A 33 15.297 6.156 -4.701 1.00 0.00 S ATOM 0 H CYS A 33 14.048 6.472 -8.717 1.00 0.00 H new ATOM 0 HA CYS A 33 16.428 6.065 -7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.088 6.994 -6.606 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.683 5.321 -6.279 1.00 0.00 H new ATOM 0 HG CYS A 33 15.108 5.052 -4.041 1.00 0.00 H new ATOM 425 N GLY A 34 14.872 3.335 -8.162 1.00 0.00 N ATOM 426 CA GLY A 34 14.980 1.888 -8.176 1.00 0.00 C ATOM 427 C GLY A 34 14.494 1.257 -6.887 1.00 0.00 C ATOM 428 O GLY A 34 15.249 0.565 -6.203 1.00 0.00 O ATOM 0 H GLY A 34 14.157 3.717 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.402 1.492 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.019 1.606 -8.345 1.00 0.00 H new ATOM 432 N ASP A 35 13.231 1.496 -6.553 1.00 0.00 N ATOM 433 CA ASP A 35 12.644 0.947 -5.336 1.00 0.00 C ATOM 434 C ASP A 35 11.589 -0.103 -5.667 1.00 0.00 C ATOM 435 O ASP A 35 11.083 -0.158 -6.788 1.00 0.00 O ATOM 436 CB ASP A 35 12.025 2.063 -4.494 1.00 0.00 C ATOM 437 CG ASP A 35 12.940 3.265 -4.361 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.162 3.105 -4.563 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.434 4.365 -4.057 1.00 0.00 O ATOM 0 H ASP A 35 12.593 2.067 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 35 13.438 0.469 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.084 2.375 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.790 1.678 -3.502 1.00 0.00 H new ATOM 444 N VAL A 36 11.261 -0.937 -4.685 1.00 0.00 N ATOM 445 CA VAL A 36 10.266 -1.985 -4.872 1.00 0.00 C ATOM 446 C VAL A 36 9.300 -2.043 -3.694 1.00 0.00 C ATOM 447 O VAL A 36 9.588 -2.662 -2.671 1.00 0.00 O ATOM 448 CB VAL A 36 10.929 -3.365 -5.045 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.879 -4.434 -5.306 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.953 -3.326 -6.169 1.00 0.00 C ATOM 0 H VAL A 36 11.671 -0.907 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 36 9.714 -1.738 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 36 11.447 -3.618 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.367 -5.401 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.187 -4.478 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.330 -4.190 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.412 -4.309 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.460 -3.051 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.722 -2.590 -5.935 1.00 0.00 H new ATOM 460 N MET A 37 8.151 -1.392 -3.846 1.00 0.00 N ATOM 461 CA MET A 37 7.140 -1.370 -2.794 1.00 0.00 C ATOM 462 C MET A 37 6.025 -2.368 -3.091 1.00 0.00 C ATOM 463 O MET A 37 5.159 -2.116 -3.929 1.00 0.00 O ATOM 464 CB MET A 37 6.556 0.036 -2.648 1.00 0.00 C ATOM 465 CG MET A 37 5.904 0.286 -1.298 1.00 0.00 C ATOM 466 SD MET A 37 4.142 -0.099 -1.296 1.00 0.00 S ATOM 467 CE MET A 37 3.475 1.374 -0.525 1.00 0.00 C ATOM 0 H MET A 37 7.897 -0.873 -4.687 1.00 0.00 H new ATOM 0 HA MET A 37 7.619 -1.655 -1.858 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.349 0.768 -2.800 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.818 0.198 -3.434 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.404 -0.316 -0.540 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.044 1.330 -1.019 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.550 1.660 -1.026 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.270 1.173 0.527 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.198 2.186 -0.606 1.00 0.00 H new ATOM 477 N LYS A 38 6.054 -3.503 -2.400 1.00 0.00 N ATOM 478 CA LYS A 38 5.045 -4.539 -2.588 1.00 0.00 C ATOM 479 C LYS A 38 3.964 -4.447 -1.516 1.00 0.00 C ATOM 480 O LYS A 38 4.217 -4.713 -0.340 1.00 0.00 O ATOM 481 CB LYS A 38 5.695 -5.924 -2.555 1.00 0.00 C ATOM 482 CG LYS A 38 4.694 -7.066 -2.580 1.00 0.00 C ATOM 483 CD LYS A 38 4.443 -7.556 -3.997 1.00 0.00 C ATOM 484 CE LYS A 38 4.165 -9.051 -4.029 1.00 0.00 C ATOM 485 NZ LYS A 38 3.088 -9.435 -3.074 1.00 0.00 N ATOM 0 H LYS A 38 6.765 -3.729 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 38 4.580 -4.386 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.366 -6.022 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.307 -6.008 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.065 -7.889 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.754 -6.737 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.597 -7.018 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.310 -7.333 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.878 -9.346 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.077 -9.595 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.456 -10.127 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.512 -9.856 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.543 -8.590 -2.807 1.00 0.00 H new ATOM 499 N LEU A 39 2.759 -4.070 -1.929 1.00 0.00 N ATOM 500 CA LEU A 39 1.638 -3.945 -1.004 1.00 0.00 C ATOM 501 C LEU A 39 0.701 -5.143 -1.119 1.00 0.00 C ATOM 502 O LEU A 39 0.607 -5.770 -2.173 1.00 0.00 O ATOM 503 CB LEU A 39 0.868 -2.652 -1.277 1.00 0.00 C ATOM 504 CG LEU A 39 0.102 -2.064 -0.091 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.067 -1.578 0.979 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.802 -0.929 -0.550 1.00 0.00 C ATOM 0 H LEU A 39 2.533 -3.846 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 39 2.037 -3.916 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.573 -1.902 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.160 -2.838 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.521 -2.848 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.504 -1.163 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.673 -2.414 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.716 -0.809 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.339 -0.523 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.198 -0.144 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.517 -1.306 -1.281 1.00 0.00 H new ATOM 518 N GLN A 40 0.008 -5.453 -0.027 1.00 0.00 N ATOM 519 CA GLN A 40 -0.924 -6.575 -0.007 1.00 0.00 C ATOM 520 C GLN A 40 -1.981 -6.385 1.075 1.00 0.00 C ATOM 521 O GLN A 40 -1.656 -6.228 2.253 1.00 0.00 O ATOM 522 CB GLN A 40 -0.170 -7.886 0.223 1.00 0.00 C ATOM 523 CG GLN A 40 0.292 -8.556 -1.060 1.00 0.00 C ATOM 524 CD GLN A 40 0.907 -9.920 -0.818 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.002 -10.031 -0.265 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.205 -10.968 -1.232 1.00 0.00 N ATOM 0 H GLN A 40 0.074 -4.944 0.854 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.425 -6.617 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.697 -7.691 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.814 -8.574 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.556 -8.659 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.021 -7.916 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.698 -10.830 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.569 -11.911 -1.096 1.00 0.00 H new ATOM 535 N ILE A 41 -3.246 -6.399 0.669 1.00 0.00 N ATOM 536 CA ILE A 41 -4.350 -6.229 1.605 1.00 0.00 C ATOM 537 C ILE A 41 -5.365 -7.360 1.469 1.00 0.00 C ATOM 538 O ILE A 41 -5.742 -7.738 0.360 1.00 0.00 O ATOM 539 CB ILE A 41 -5.067 -4.883 1.390 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.677 -4.823 -0.011 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.101 -3.728 1.604 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.066 -5.417 -0.093 1.00 0.00 C ATOM 0 H ILE A 41 -3.532 -6.526 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.921 -6.247 2.607 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.872 -4.797 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.716 -3.784 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.024 -5.351 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.623 -2.784 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.711 -3.764 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.276 -3.808 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.435 -5.340 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.031 -6.466 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.734 -4.874 0.576 1.00 0.00 H new ATOM 554 N GLN A 42 -5.803 -7.893 2.605 1.00 0.00 N ATOM 555 CA GLN A 42 -6.775 -8.980 2.612 1.00 0.00 C ATOM 556 C GLN A 42 -8.196 -8.439 2.730 1.00 0.00 C ATOM 557 O GLN A 42 -8.544 -7.791 3.718 1.00 0.00 O ATOM 558 CB GLN A 42 -6.486 -9.943 3.765 1.00 0.00 C ATOM 559 CG GLN A 42 -7.170 -11.293 3.617 1.00 0.00 C ATOM 560 CD GLN A 42 -7.101 -12.124 4.883 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.960 -12.014 5.758 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.077 -12.962 4.986 1.00 0.00 N ATOM 0 H GLN A 42 -5.501 -7.590 3.531 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.688 -9.518 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.409 -10.097 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.806 -9.483 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.214 -11.139 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.705 -11.844 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.388 -13.020 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.979 -13.548 5.815 1.00 0.00 H new ATOM 571 N VAL A 43 -9.013 -8.709 1.717 1.00 0.00 N ATOM 572 CA VAL A 43 -10.397 -8.250 1.708 1.00 0.00 C ATOM 573 C VAL A 43 -11.343 -9.348 2.179 1.00 0.00 C ATOM 574 O VAL A 43 -11.241 -10.497 1.748 1.00 0.00 O ATOM 575 CB VAL A 43 -10.825 -7.786 0.303 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.285 -7.360 0.302 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.931 -6.654 -0.180 1.00 0.00 C ATOM 0 H VAL A 43 -8.740 -9.243 0.892 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.455 -7.406 2.395 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.716 -8.624 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.569 -7.036 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.910 -8.202 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.424 -6.537 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.248 -6.339 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.006 -5.812 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.898 -6.999 -0.221 1.00 0.00 H new ATOM 587 N ASP A 44 -12.265 -8.987 3.065 1.00 0.00 N ATOM 588 CA ASP A 44 -13.232 -9.941 3.595 1.00 0.00 C ATOM 589 C ASP A 44 -14.472 -10.006 2.709 1.00 0.00 C ATOM 590 O ASP A 44 -14.528 -9.371 1.656 1.00 0.00 O ATOM 591 CB ASP A 44 -13.628 -9.560 5.022 1.00 0.00 C ATOM 592 CG ASP A 44 -14.074 -10.757 5.838 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.199 -11.468 6.376 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.298 -10.982 5.941 1.00 0.00 O ATOM 0 H ASP A 44 -12.363 -8.040 3.431 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.765 -10.926 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.782 -9.082 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.433 -8.826 4.989 1.00 0.00 H new ATOM 599 N GLU A 45 -15.464 -10.778 3.143 1.00 0.00 N ATOM 600 CA GLU A 45 -16.702 -10.926 2.388 1.00 0.00 C ATOM 601 C GLU A 45 -17.440 -9.594 2.285 1.00 0.00 C ATOM 602 O GLU A 45 -18.139 -9.332 1.306 1.00 0.00 O ATOM 603 CB GLU A 45 -17.605 -11.972 3.046 1.00 0.00 C ATOM 604 CG GLU A 45 -18.203 -11.515 4.366 1.00 0.00 C ATOM 605 CD GLU A 45 -19.356 -12.390 4.818 1.00 0.00 C ATOM 606 OE1 GLU A 45 -20.407 -12.382 4.144 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.206 -13.084 5.845 1.00 0.00 O ATOM 0 H GLU A 45 -15.434 -11.310 4.013 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.446 -11.258 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.413 -12.226 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.030 -12.883 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.428 -11.518 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.550 -10.486 4.267 1.00 0.00 H new ATOM 614 N LYS A 46 -17.279 -8.755 3.303 1.00 0.00 N ATOM 615 CA LYS A 46 -17.928 -7.450 3.330 1.00 0.00 C ATOM 616 C LYS A 46 -17.189 -6.457 2.437 1.00 0.00 C ATOM 617 O LYS A 46 -17.769 -5.478 1.969 1.00 0.00 O ATOM 618 CB LYS A 46 -17.988 -6.916 4.763 1.00 0.00 C ATOM 619 CG LYS A 46 -18.785 -7.800 5.707 1.00 0.00 C ATOM 620 CD LYS A 46 -19.438 -6.988 6.813 1.00 0.00 C ATOM 621 CE LYS A 46 -20.236 -7.873 7.758 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.849 -7.090 8.867 1.00 0.00 N ATOM 0 H LYS A 46 -16.704 -8.956 4.121 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.943 -7.569 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.973 -6.812 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.429 -5.919 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.551 -8.335 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.128 -8.551 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.672 -6.453 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -20.095 -6.237 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.019 -8.387 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.584 -8.641 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.384 -7.729 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.101 -6.620 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.491 -6.373 8.472 1.00 0.00 H new ATOM 636 N GLY A 47 -15.906 -6.718 2.205 1.00 0.00 N ATOM 637 CA GLY A 47 -15.110 -5.839 1.368 1.00 0.00 C ATOM 638 C GLY A 47 -14.272 -4.870 2.178 1.00 0.00 C ATOM 639 O GLY A 47 -13.863 -3.822 1.677 1.00 0.00 O ATOM 0 H GLY A 47 -15.404 -7.522 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.456 -6.439 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.769 -5.278 0.705 1.00 0.00 H new ATOM 643 N LYS A 48 -14.017 -5.217 3.435 1.00 0.00 N ATOM 644 CA LYS A 48 -13.223 -4.371 4.317 1.00 0.00 C ATOM 645 C LYS A 48 -11.834 -4.963 4.534 1.00 0.00 C ATOM 646 O LYS A 48 -11.691 -6.159 4.788 1.00 0.00 O ATOM 647 CB LYS A 48 -13.930 -4.197 5.664 1.00 0.00 C ATOM 648 CG LYS A 48 -13.260 -3.185 6.576 1.00 0.00 C ATOM 649 CD LYS A 48 -12.220 -3.840 7.469 1.00 0.00 C ATOM 650 CE LYS A 48 -12.863 -4.523 8.666 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.409 -3.537 9.639 1.00 0.00 N ATOM 0 H LYS A 48 -14.349 -6.080 3.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.114 -3.396 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.960 -3.888 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.969 -5.161 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.787 -2.409 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.013 -2.695 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.653 -4.571 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.511 -3.088 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.665 -5.177 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.126 -5.154 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.558 -4.002 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.736 -2.752 9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.315 -3.167 9.287 1.00 0.00 H new ATOM 665 N ILE A 49 -10.813 -4.118 4.432 1.00 0.00 N ATOM 666 CA ILE A 49 -9.436 -4.558 4.619 1.00 0.00 C ATOM 667 C ILE A 49 -9.179 -4.959 6.067 1.00 0.00 C ATOM 668 O ILE A 49 -9.057 -4.107 6.947 1.00 0.00 O ATOM 669 CB ILE A 49 -8.435 -3.458 4.218 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.453 -3.250 2.702 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.035 -3.819 4.691 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.114 -1.837 2.283 1.00 0.00 C ATOM 0 H ILE A 49 -10.914 -3.125 4.221 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.291 -5.424 3.973 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.731 -2.525 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.744 -3.937 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.441 -3.507 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.339 -3.032 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.033 -3.923 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.729 -4.761 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.146 -1.762 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.837 -1.146 2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.114 -1.583 2.635 1.00 0.00 H new ATOM 684 N VAL A 50 -9.098 -6.264 6.308 1.00 0.00 N ATOM 685 CA VAL A 50 -8.852 -6.780 7.650 1.00 0.00 C ATOM 686 C VAL A 50 -7.359 -6.943 7.911 1.00 0.00 C ATOM 687 O VAL A 50 -6.913 -6.914 9.058 1.00 0.00 O ATOM 688 CB VAL A 50 -9.551 -8.136 7.866 1.00 0.00 C ATOM 689 CG1 VAL A 50 -11.062 -7.963 7.872 1.00 0.00 C ATOM 690 CG2 VAL A 50 -9.124 -9.131 6.798 1.00 0.00 C ATOM 0 H VAL A 50 -9.199 -6.983 5.592 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.263 -6.052 8.350 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.251 -8.529 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.538 -8.931 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.348 -7.286 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.384 -7.547 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.627 -10.083 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.393 -8.747 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.045 -9.277 6.847 1.00 0.00 H new ATOM 700 N ASP A 51 -6.592 -7.112 6.841 1.00 0.00 N ATOM 701 CA ASP A 51 -5.147 -7.278 6.954 1.00 0.00 C ATOM 702 C ASP A 51 -4.424 -6.500 5.859 1.00 0.00 C ATOM 703 O ASP A 51 -4.966 -6.285 4.775 1.00 0.00 O ATOM 704 CB ASP A 51 -4.775 -8.759 6.875 1.00 0.00 C ATOM 705 CG ASP A 51 -3.353 -9.024 7.331 1.00 0.00 C ATOM 706 OD1 ASP A 51 -2.430 -8.367 6.805 1.00 0.00 O ATOM 707 OD2 ASP A 51 -3.164 -9.887 8.213 1.00 0.00 O ATOM 0 H ASP A 51 -6.946 -7.138 5.885 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.835 -6.884 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.464 -9.337 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.895 -9.107 5.849 1.00 0.00 H new ATOM 712 N ALA A 52 -3.198 -6.079 6.151 1.00 0.00 N ATOM 713 CA ALA A 52 -2.400 -5.326 5.191 1.00 0.00 C ATOM 714 C ALA A 52 -0.909 -5.513 5.451 1.00 0.00 C ATOM 715 O ALA A 52 -0.474 -5.592 6.600 1.00 0.00 O ATOM 716 CB ALA A 52 -2.766 -3.850 5.244 1.00 0.00 C ATOM 0 H ALA A 52 -2.736 -6.247 7.045 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.619 -5.708 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.163 -3.299 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.822 -3.728 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.576 -3.464 6.245 1.00 0.00 H new ATOM 722 N ARG A 53 -0.130 -5.582 4.376 1.00 0.00 N ATOM 723 CA ARG A 53 1.313 -5.761 4.488 1.00 0.00 C ATOM 724 C ARG A 53 2.052 -4.832 3.530 1.00 0.00 C ATOM 725 O ARG A 53 1.593 -4.578 2.417 1.00 0.00 O ATOM 726 CB ARG A 53 1.691 -7.215 4.200 1.00 0.00 C ATOM 727 CG ARG A 53 0.839 -8.227 4.949 1.00 0.00 C ATOM 728 CD ARG A 53 1.184 -8.258 6.429 1.00 0.00 C ATOM 729 NE ARG A 53 0.731 -9.489 7.071 1.00 0.00 N ATOM 730 CZ ARG A 53 0.814 -9.710 8.378 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.330 -8.787 9.178 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.381 -10.856 8.887 1.00 0.00 N ATOM 0 H ARG A 53 -0.474 -5.517 3.418 1.00 0.00 H new ATOM 0 HA ARG A 53 1.607 -5.511 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.602 -7.399 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.738 -7.368 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.215 -7.979 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.986 -9.218 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.263 -8.161 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.728 -7.401 6.925 1.00 0.00 H new ATOM 0 HE ARG A 53 0.329 -10.219 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.664 -7.905 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.393 -8.959 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.016 -11.568 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.445 -11.025 9.891 1.00 0.00 H new ATOM 746 N PHE A 54 3.199 -4.327 3.971 1.00 0.00 N ATOM 747 CA PHE A 54 4.002 -3.424 3.154 1.00 0.00 C ATOM 748 C PHE A 54 5.468 -3.848 3.156 1.00 0.00 C ATOM 749 O PHE A 54 6.080 -4.003 4.213 1.00 0.00 O ATOM 750 CB PHE A 54 3.873 -1.988 3.666 1.00 0.00 C ATOM 751 CG PHE A 54 4.872 -1.640 4.733 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.591 -1.882 6.068 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.091 -1.071 4.400 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.508 -1.563 7.052 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.011 -0.751 5.380 1.00 0.00 C ATOM 756 CZ PHE A 54 6.719 -0.996 6.708 1.00 0.00 C ATOM 0 H PHE A 54 3.594 -4.528 4.890 1.00 0.00 H new ATOM 0 HA PHE A 54 3.630 -3.472 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.993 -1.300 2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.867 -1.840 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.645 -2.325 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.324 -0.876 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.277 -1.757 8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.958 -0.309 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.436 -0.745 7.475 1.00 0.00 H new ATOM 766 N LYS A 55 6.026 -4.033 1.964 1.00 0.00 N ATOM 767 CA LYS A 55 7.420 -4.437 1.826 1.00 0.00 C ATOM 768 C LYS A 55 8.129 -3.592 0.772 1.00 0.00 C ATOM 769 O LYS A 55 8.012 -3.848 -0.427 1.00 0.00 O ATOM 770 CB LYS A 55 7.508 -5.918 1.451 1.00 0.00 C ATOM 771 CG LYS A 55 8.873 -6.531 1.709 1.00 0.00 C ATOM 772 CD LYS A 55 9.252 -6.451 3.178 1.00 0.00 C ATOM 773 CE LYS A 55 10.242 -7.541 3.559 1.00 0.00 C ATOM 774 NZ LYS A 55 11.652 -7.096 3.382 1.00 0.00 N ATOM 0 H LYS A 55 5.534 -3.909 1.079 1.00 0.00 H new ATOM 0 HA LYS A 55 7.915 -4.281 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.758 -6.472 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.262 -6.032 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.871 -7.573 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.624 -6.015 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.686 -5.474 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.356 -6.542 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.080 -7.832 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.061 -8.426 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.295 -7.820 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.848 -6.956 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.800 -6.201 3.890 1.00 0.00 H new ATOM 788 N THR A 56 8.867 -2.584 1.227 1.00 0.00 N ATOM 789 CA THR A 56 9.596 -1.702 0.324 1.00 0.00 C ATOM 790 C THR A 56 11.085 -2.031 0.317 1.00 0.00 C ATOM 791 O THR A 56 11.643 -2.448 1.332 1.00 0.00 O ATOM 792 CB THR A 56 9.410 -0.223 0.712 1.00 0.00 C ATOM 793 OG1 THR A 56 8.027 0.046 0.969 1.00 0.00 O ATOM 794 CG2 THR A 56 9.913 0.693 -0.393 1.00 0.00 C ATOM 0 H THR A 56 8.976 -2.358 2.216 1.00 0.00 H new ATOM 0 HA THR A 56 9.187 -1.862 -0.673 1.00 0.00 H new ATOM 0 HB THR A 56 9.991 -0.031 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.946 0.602 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.771 1.732 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.973 0.506 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.356 0.498 -1.309 1.00 0.00 H new ATOM 802 N PHE A 57 11.723 -1.840 -0.833 1.00 0.00 N ATOM 803 CA PHE A 57 13.148 -2.116 -0.971 1.00 0.00 C ATOM 804 C PHE A 57 13.860 -0.962 -1.670 1.00 0.00 C ATOM 805 O PHE A 57 13.703 -0.758 -2.873 1.00 0.00 O ATOM 806 CB PHE A 57 13.364 -3.412 -1.755 1.00 0.00 C ATOM 807 CG PHE A 57 12.717 -4.611 -1.121 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.399 -5.367 -0.182 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.427 -4.981 -1.465 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.807 -6.470 0.403 1.00 0.00 C ATOM 811 CE2 PHE A 57 10.829 -6.083 -0.882 1.00 0.00 C ATOM 812 CZ PHE A 57 11.521 -6.829 0.052 1.00 0.00 C ATOM 0 H PHE A 57 11.276 -1.495 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 57 13.569 -2.229 0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.970 -3.287 -2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.434 -3.595 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.405 -5.091 0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.883 -4.402 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.350 -7.051 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.822 -6.360 -1.157 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.057 -7.692 0.507 1.00 0.00 H new ATOM 822 N GLY A 58 14.644 -0.208 -0.905 1.00 0.00 N ATOM 823 CA GLY A 58 15.369 0.917 -1.466 1.00 0.00 C ATOM 824 C GLY A 58 15.534 2.053 -0.476 1.00 0.00 C ATOM 825 O GLY A 58 15.815 1.825 0.701 1.00 0.00 O ATOM 0 H GLY A 58 14.790 -0.356 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.352 0.583 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.842 1.281 -2.348 1.00 0.00 H new ATOM 829 N CYS A 59 15.360 3.281 -0.953 1.00 0.00 N ATOM 830 CA CYS A 59 15.493 4.458 -0.103 1.00 0.00 C ATOM 831 C CYS A 59 14.465 4.434 1.025 1.00 0.00 C ATOM 832 O CYS A 59 13.368 3.899 0.868 1.00 0.00 O ATOM 833 CB CYS A 59 15.328 5.733 -0.931 1.00 0.00 C ATOM 834 SG CYS A 59 13.597 6.253 -1.158 1.00 0.00 S ATOM 0 H CYS A 59 15.126 3.487 -1.924 1.00 0.00 H new ATOM 0 HA CYS A 59 16.490 4.446 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.879 6.541 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.781 5.579 -1.910 1.00 0.00 H new ATOM 0 HG CYS A 59 13.438 6.717 -2.362 1.00 0.00 H new ATOM 839 N GLY A 60 14.828 5.018 2.163 1.00 0.00 N ATOM 840 CA GLY A 60 13.927 5.053 3.299 1.00 0.00 C ATOM 841 C GLY A 60 12.627 5.767 2.987 1.00 0.00 C ATOM 842 O GLY A 60 11.544 5.237 3.234 1.00 0.00 O ATOM 0 H GLY A 60 15.730 5.467 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.710 4.034 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.420 5.551 4.134 1.00 0.00 H new ATOM 846 N SER A 61 12.734 6.976 2.445 1.00 0.00 N ATOM 847 CA SER A 61 11.558 7.767 2.103 1.00 0.00 C ATOM 848 C SER A 61 10.429 6.873 1.598 1.00 0.00 C ATOM 849 O SER A 61 9.256 7.122 1.871 1.00 0.00 O ATOM 850 CB SER A 61 11.910 8.812 1.043 1.00 0.00 C ATOM 851 OG SER A 61 13.067 9.543 1.411 1.00 0.00 O ATOM 0 H SER A 61 13.623 7.429 2.233 1.00 0.00 H new ATOM 0 HA SER A 61 11.219 8.276 3.005 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.076 8.320 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.072 9.496 0.909 1.00 0.00 H new ATOM 0 HG SER A 61 13.627 9.689 0.620 1.00 0.00 H new ATOM 857 N ALA A 62 10.795 5.831 0.859 1.00 0.00 N ATOM 858 CA ALA A 62 9.815 4.898 0.317 1.00 0.00 C ATOM 859 C ALA A 62 9.285 3.966 1.401 1.00 0.00 C ATOM 860 O ALA A 62 8.081 3.721 1.488 1.00 0.00 O ATOM 861 CB ALA A 62 10.426 4.093 -0.821 1.00 0.00 C ATOM 0 H ALA A 62 11.763 5.612 0.622 1.00 0.00 H new ATOM 0 HA ALA A 62 8.976 5.476 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.683 3.400 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.749 4.769 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.284 3.532 -0.450 1.00 0.00 H new ATOM 867 N ILE A 63 10.190 3.449 2.225 1.00 0.00 N ATOM 868 CA ILE A 63 9.813 2.545 3.304 1.00 0.00 C ATOM 869 C ILE A 63 8.841 3.216 4.268 1.00 0.00 C ATOM 870 O ILE A 63 7.908 2.584 4.765 1.00 0.00 O ATOM 871 CB ILE A 63 11.046 2.060 4.089 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.952 1.218 3.189 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.615 1.262 5.311 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.399 1.205 3.631 1.00 0.00 C ATOM 0 H ILE A 63 11.190 3.641 2.166 1.00 0.00 H new ATOM 0 HA ILE A 63 9.327 1.686 2.841 1.00 0.00 H new ATOM 0 HB ILE A 63 11.609 2.930 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.578 0.194 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.895 1.601 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.497 0.926 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.006 1.891 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.033 0.397 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.983 0.589 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.790 2.222 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.468 0.794 4.638 1.00 0.00 H new ATOM 886 N ALA A 64 9.064 4.500 4.528 1.00 0.00 N ATOM 887 CA ALA A 64 8.206 5.257 5.430 1.00 0.00 C ATOM 888 C ALA A 64 6.797 5.392 4.863 1.00 0.00 C ATOM 889 O ALA A 64 5.851 4.798 5.380 1.00 0.00 O ATOM 890 CB ALA A 64 8.803 6.631 5.696 1.00 0.00 C ATOM 0 H ALA A 64 9.832 5.038 4.126 1.00 0.00 H new ATOM 0 HA ALA A 64 8.140 4.712 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.152 7.186 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.787 6.518 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.899 7.174 4.756 1.00 0.00 H new ATOM 896 N SER A 65 6.664 6.176 3.799 1.00 0.00 N ATOM 897 CA SER A 65 5.369 6.392 3.165 1.00 0.00 C ATOM 898 C SER A 65 4.557 5.100 3.135 1.00 0.00 C ATOM 899 O SER A 65 3.385 5.082 3.510 1.00 0.00 O ATOM 900 CB SER A 65 5.555 6.924 1.743 1.00 0.00 C ATOM 901 OG SER A 65 6.068 8.245 1.755 1.00 0.00 O ATOM 0 H SER A 65 7.438 6.673 3.357 1.00 0.00 H new ATOM 0 HA SER A 65 4.823 7.131 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.234 6.272 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.600 6.906 1.217 1.00 0.00 H new ATOM 0 HG SER A 65 6.179 8.561 0.834 1.00 0.00 H new ATOM 907 N SER A 66 5.190 4.022 2.684 1.00 0.00 N ATOM 908 CA SER A 66 4.527 2.726 2.601 1.00 0.00 C ATOM 909 C SER A 66 3.970 2.311 3.960 1.00 0.00 C ATOM 910 O SER A 66 2.756 2.234 4.148 1.00 0.00 O ATOM 911 CB SER A 66 5.501 1.662 2.090 1.00 0.00 C ATOM 912 OG SER A 66 6.677 1.626 2.881 1.00 0.00 O ATOM 0 H SER A 66 6.161 4.020 2.371 1.00 0.00 H new ATOM 0 HA SER A 66 3.697 2.816 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.018 0.685 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.763 1.872 1.053 1.00 0.00 H new ATOM 0 HG SER A 66 6.625 0.877 3.510 1.00 0.00 H new ATOM 918 N SER A 67 4.868 2.046 4.904 1.00 0.00 N ATOM 919 CA SER A 67 4.468 1.636 6.245 1.00 0.00 C ATOM 920 C SER A 67 3.258 2.435 6.719 1.00 0.00 C ATOM 921 O SER A 67 2.331 1.885 7.316 1.00 0.00 O ATOM 922 CB SER A 67 5.630 1.817 7.224 1.00 0.00 C ATOM 923 OG SER A 67 5.330 1.242 8.483 1.00 0.00 O ATOM 0 H SER A 67 5.877 2.108 4.765 1.00 0.00 H new ATOM 0 HA SER A 67 4.193 0.582 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.529 1.356 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.844 2.879 7.347 1.00 0.00 H new ATOM 0 HG SER A 67 5.364 0.265 8.413 1.00 0.00 H new ATOM 929 N LEU A 68 3.274 3.736 6.450 1.00 0.00 N ATOM 930 CA LEU A 68 2.178 4.612 6.849 1.00 0.00 C ATOM 931 C LEU A 68 0.925 4.326 6.028 1.00 0.00 C ATOM 932 O LEU A 68 -0.174 4.217 6.572 1.00 0.00 O ATOM 933 CB LEU A 68 2.586 6.078 6.684 1.00 0.00 C ATOM 934 CG LEU A 68 1.460 7.105 6.802 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.995 8.426 7.331 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.778 7.305 5.456 1.00 0.00 C ATOM 0 H LEU A 68 4.033 4.207 5.958 1.00 0.00 H new ATOM 0 HA LEU A 68 1.954 4.418 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.343 6.310 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.057 6.196 5.708 1.00 0.00 H new ATOM 0 HG LEU A 68 0.722 6.726 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.179 9.144 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.437 8.272 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.754 8.811 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.021 8.039 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.507 7.661 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.359 6.358 5.116 1.00 0.00 H new ATOM 948 N ALA A 69 1.099 4.203 4.716 1.00 0.00 N ATOM 949 CA ALA A 69 -0.018 3.925 3.821 1.00 0.00 C ATOM 950 C ALA A 69 -0.688 2.602 4.174 1.00 0.00 C ATOM 951 O ALA A 69 -1.868 2.565 4.523 1.00 0.00 O ATOM 952 CB ALA A 69 0.457 3.909 2.375 1.00 0.00 C ATOM 0 H ALA A 69 2.002 4.291 4.250 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.755 4.719 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.387 3.700 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.884 4.879 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.215 3.136 2.250 1.00 0.00 H new ATOM 958 N THR A 70 0.072 1.515 4.080 1.00 0.00 N ATOM 959 CA THR A 70 -0.449 0.189 4.388 1.00 0.00 C ATOM 960 C THR A 70 -1.192 0.185 5.718 1.00 0.00 C ATOM 961 O THR A 70 -2.033 -0.678 5.967 1.00 0.00 O ATOM 962 CB THR A 70 0.679 -0.860 4.440 1.00 0.00 C ATOM 963 OG1 THR A 70 0.121 -2.179 4.443 1.00 0.00 O ATOM 964 CG2 THR A 70 1.541 -0.665 5.677 1.00 0.00 C ATOM 0 H THR A 70 1.051 1.527 3.793 1.00 0.00 H new ATOM 0 HA THR A 70 -1.141 -0.072 3.588 1.00 0.00 H new ATOM 0 HB THR A 70 1.305 -0.733 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.783 -2.814 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.330 -1.416 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.987 0.329 5.657 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.924 -0.768 6.570 1.00 0.00 H new ATOM 972 N GLU A 71 -0.877 1.157 6.570 1.00 0.00 N ATOM 973 CA GLU A 71 -1.517 1.264 7.876 1.00 0.00 C ATOM 974 C GLU A 71 -2.830 2.036 7.777 1.00 0.00 C ATOM 975 O GLU A 71 -3.755 1.809 8.556 1.00 0.00 O ATOM 976 CB GLU A 71 -0.582 1.953 8.871 1.00 0.00 C ATOM 977 CG GLU A 71 -1.249 2.303 10.191 1.00 0.00 C ATOM 978 CD GLU A 71 -0.279 2.288 11.357 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.249 1.201 11.673 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.050 3.361 11.953 1.00 0.00 O ATOM 0 H GLU A 71 -0.184 1.880 6.379 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.734 0.256 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.271 1.303 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.191 2.864 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.703 3.291 10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.055 1.596 10.385 1.00 0.00 H new ATOM 987 N TRP A 72 -2.902 2.948 6.814 1.00 0.00 N ATOM 988 CA TRP A 72 -4.100 3.754 6.613 1.00 0.00 C ATOM 989 C TRP A 72 -5.233 2.911 6.036 1.00 0.00 C ATOM 990 O TRP A 72 -6.402 3.121 6.359 1.00 0.00 O ATOM 991 CB TRP A 72 -3.799 4.930 5.683 1.00 0.00 C ATOM 992 CG TRP A 72 -3.138 6.083 6.379 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.704 6.119 7.673 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.840 7.365 5.817 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.153 7.347 7.949 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.224 8.129 6.827 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.031 7.942 4.558 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.800 9.439 6.616 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.611 9.242 4.350 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.000 9.978 5.374 1.00 0.00 C ATOM 0 H TRP A 72 -2.145 3.148 6.160 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.415 4.139 7.583 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.156 4.588 4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.729 5.273 5.230 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.782 5.303 8.376 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.755 7.630 8.845 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.499 7.382 3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.330 10.009 7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.756 9.698 3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.680 10.991 5.179 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.878 1.957 5.181 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.865 1.082 4.560 1.00 0.00 C ATOM 1013 C VAL A 73 -6.482 0.136 5.584 1.00 0.00 C ATOM 1014 O VAL A 73 -7.671 -0.180 5.518 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.242 0.253 3.422 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.675 1.165 2.345 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.167 -0.676 3.966 1.00 0.00 C ATOM 0 H VAL A 73 -3.915 1.771 4.903 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.643 1.724 4.148 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.024 -0.358 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.239 0.561 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.473 1.784 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.906 1.805 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.738 -1.254 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.384 -0.087 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.608 -1.354 4.697 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.668 -0.313 6.533 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.132 -1.222 7.574 1.00 0.00 C ATOM 1029 C LYS A 74 -7.392 -0.684 8.244 1.00 0.00 C ATOM 1030 O LYS A 74 -7.463 0.491 8.602 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.036 -1.435 8.621 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.847 -2.226 8.104 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.729 -2.286 9.131 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.391 -2.604 8.480 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.248 -2.069 9.271 1.00 0.00 N ATOM 0 H LYS A 74 -4.682 -0.062 6.603 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.370 -2.178 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.690 -0.464 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.461 -1.954 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.164 -3.238 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.476 -1.769 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.663 -1.332 9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.961 -3.045 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.286 -3.684 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.367 -2.182 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.645 -2.306 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.334 -1.036 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.256 -2.491 10.222 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.386 -1.552 8.411 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.629 -1.144 9.039 1.00 0.00 C ATOM 1051 C GLY A 75 -10.605 -0.535 8.052 1.00 0.00 C ATOM 1052 O GLY A 75 -11.820 -0.630 8.229 1.00 0.00 O ATOM 0 H GLY A 75 -8.352 -2.530 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.092 -2.008 9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.415 -0.421 9.826 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.074 0.093 7.008 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.906 0.720 5.988 1.00 0.00 C ATOM 1058 C LYS A 76 -11.261 -0.275 4.888 1.00 0.00 C ATOM 1059 O LYS A 76 -10.775 -1.406 4.879 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.185 1.928 5.385 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.837 3.000 6.404 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.045 4.133 5.773 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.480 5.072 6.827 1.00 0.00 C ATOM 1064 NZ LYS A 76 -7.608 6.120 6.226 1.00 0.00 N ATOM 0 H LYS A 76 -9.071 0.181 6.846 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.829 1.054 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.270 1.589 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.814 2.366 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.752 3.396 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.258 2.558 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.231 3.721 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.687 4.692 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.299 5.547 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.908 4.498 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.242 6.740 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.812 5.668 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.160 6.685 5.549 1.00 0.00 H new ATOM 1078 N THR A 77 -12.110 0.154 3.960 1.00 0.00 N ATOM 1079 CA THR A 77 -12.530 -0.698 2.855 1.00 0.00 C ATOM 1080 C THR A 77 -11.827 -0.306 1.560 1.00 0.00 C ATOM 1081 O THR A 77 -11.307 0.803 1.436 1.00 0.00 O ATOM 1082 CB THR A 77 -14.054 -0.630 2.640 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.449 0.718 2.362 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.797 -1.139 3.865 1.00 0.00 C ATOM 0 H THR A 77 -12.521 1.088 3.952 1.00 0.00 H new ATOM 0 HA THR A 77 -12.254 -1.718 3.121 1.00 0.00 H new ATOM 0 HB THR A 77 -14.308 -1.265 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.419 0.753 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.871 -1.081 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.516 -2.175 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.537 -0.527 4.729 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.816 -1.223 0.598 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.178 -0.972 -0.689 1.00 0.00 C ATOM 1094 C VAL A 78 -11.608 0.374 -1.262 1.00 0.00 C ATOM 1095 O VAL A 78 -10.784 1.137 -1.765 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.511 -2.080 -1.706 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.087 -3.439 -1.172 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -12.995 -2.068 -2.040 1.00 0.00 C ATOM 0 H VAL A 78 -12.241 -2.146 0.685 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.102 -0.962 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.954 -1.887 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.330 -4.209 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.013 -3.439 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.614 -3.644 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.212 -2.857 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.574 -2.236 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.264 -1.102 -2.468 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.904 0.658 -1.183 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.443 1.913 -1.694 1.00 0.00 C ATOM 1110 C GLU A 79 -12.800 3.107 -0.995 1.00 0.00 C ATOM 1111 O GLU A 79 -12.404 4.077 -1.640 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.961 1.956 -1.508 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.692 0.820 -2.204 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.117 0.655 -1.711 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.963 1.511 -2.043 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.385 -0.332 -0.994 1.00 0.00 O ATOM 0 H GLU A 79 -13.600 0.037 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.213 1.970 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.189 1.925 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.338 2.906 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.702 1.004 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.146 -0.110 -2.045 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.700 3.027 0.328 1.00 0.00 N ATOM 1124 CA GLU A 80 -12.106 4.101 1.115 1.00 0.00 C ATOM 1125 C GLU A 80 -10.663 4.354 0.690 1.00 0.00 C ATOM 1126 O GLU A 80 -10.272 5.490 0.425 1.00 0.00 O ATOM 1127 CB GLU A 80 -12.158 3.760 2.606 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.553 3.421 3.105 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.327 4.646 3.550 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.696 5.701 3.768 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.566 4.550 3.679 1.00 0.00 O ATOM 0 H GLU A 80 -13.022 2.230 0.877 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.683 5.008 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.497 2.916 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.772 4.605 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.105 2.915 2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.477 2.722 3.938 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.875 3.285 0.628 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.476 3.389 0.234 1.00 0.00 C ATOM 1140 C ALA A 81 -8.335 4.103 -1.106 1.00 0.00 C ATOM 1141 O ALA A 81 -7.473 4.968 -1.273 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.842 2.008 0.167 1.00 0.00 C ATOM 0 H ALA A 81 -10.182 2.337 0.846 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.955 3.979 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.797 2.101 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.901 1.533 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.373 1.399 -0.565 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.184 3.737 -2.059 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.154 4.342 -3.386 1.00 0.00 C ATOM 1150 C LEU A 82 -9.248 5.862 -3.293 1.00 0.00 C ATOM 1151 O LEU A 82 -8.765 6.580 -4.169 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.300 3.799 -4.242 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.984 2.558 -5.077 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.020 2.902 -6.202 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.410 1.456 -4.198 1.00 0.00 C ATOM 0 H LEU A 82 -9.903 3.023 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.205 4.083 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.139 3.567 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.631 4.590 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.912 2.196 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.807 2.006 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.469 3.657 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.092 3.290 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.191 0.580 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.493 1.808 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.135 1.190 -3.429 1.00 0.00 H new ATOM 1167 N THR A 83 -9.873 6.347 -2.225 1.00 0.00 N ATOM 1168 CA THR A 83 -10.030 7.780 -2.016 1.00 0.00 C ATOM 1169 C THR A 83 -8.756 8.397 -1.449 1.00 0.00 C ATOM 1170 O THR A 83 -8.527 9.600 -1.579 1.00 0.00 O ATOM 1171 CB THR A 83 -11.202 8.085 -1.064 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.796 7.879 0.294 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.399 7.201 -1.380 1.00 0.00 C ATOM 0 H THR A 83 -10.279 5.767 -1.491 1.00 0.00 H new ATOM 0 HA THR A 83 -10.240 8.219 -2.991 1.00 0.00 H new ATOM 0 HB THR A 83 -11.492 9.126 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.722 6.918 0.471 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.214 7.434 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.723 7.381 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.118 6.154 -1.267 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.931 7.565 -0.822 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.679 8.029 -0.237 1.00 0.00 C ATOM 1183 C ILE A 84 -5.756 8.609 -1.303 1.00 0.00 C ATOM 1184 O ILE A 84 -5.355 7.915 -2.238 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.945 6.892 0.498 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.778 6.401 1.684 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.575 7.360 0.964 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -6.169 5.216 2.400 1.00 0.00 C ATOM 0 H ILE A 84 -8.107 6.567 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.936 8.808 0.481 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.807 6.061 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.903 7.219 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.773 6.130 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.069 6.545 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.982 7.666 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.691 8.205 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.813 4.922 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.069 4.383 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.186 5.488 2.783 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.421 9.887 -1.156 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.542 10.561 -2.104 1.00 0.00 C ATOM 1202 C LYS A 85 -3.084 10.452 -1.668 1.00 0.00 C ATOM 1203 O LYS A 85 -2.786 9.937 -0.591 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.936 12.034 -2.238 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.339 12.241 -2.781 1.00 0.00 C ATOM 1206 CD LYS A 85 -7.343 12.460 -1.662 1.00 0.00 C ATOM 1207 CE LYS A 85 -8.651 13.029 -2.190 1.00 0.00 C ATOM 1208 NZ LYS A 85 -9.140 12.281 -3.381 1.00 0.00 N ATOM 0 H LYS A 85 -5.745 10.476 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.651 10.072 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.859 12.512 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.224 12.534 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.347 13.100 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.634 11.373 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.535 11.515 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.922 13.140 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.406 12.994 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.511 14.078 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.120 12.560 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.537 12.500 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.104 11.260 -3.188 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.180 10.940 -2.511 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.754 10.898 -2.211 1.00 0.00 C ATOM 1224 C ASN A 86 -0.317 12.154 -1.462 1.00 0.00 C ATOM 1225 O ASN A 86 0.582 12.109 -0.623 1.00 0.00 O ATOM 1226 CB ASN A 86 0.056 10.753 -3.501 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.131 11.931 -4.437 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.256 12.285 -4.790 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.974 12.545 -4.843 1.00 0.00 N ATOM 0 H ASN A 86 -2.410 11.369 -3.407 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.568 10.033 -1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.113 10.653 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.240 9.836 -4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.911 13.345 -5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.886 12.217 -4.525 1.00 0.00 H new ATOM 1236 N THR A 87 -0.962 13.274 -1.772 1.00 0.00 N ATOM 1237 CA THR A 87 -0.641 14.543 -1.130 1.00 0.00 C ATOM 1238 C THR A 87 -0.568 14.389 0.385 1.00 0.00 C ATOM 1239 O THR A 87 0.442 14.724 1.005 1.00 0.00 O ATOM 1240 CB THR A 87 -1.680 15.626 -1.475 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.928 15.329 -0.838 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.883 15.722 -2.979 1.00 0.00 C ATOM 0 H THR A 87 -1.710 13.328 -2.464 1.00 0.00 H new ATOM 0 HA THR A 87 0.333 14.851 -1.509 1.00 0.00 H new ATOM 0 HB THR A 87 -1.307 16.584 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.583 16.023 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.621 16.494 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.938 15.978 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.236 14.764 -3.360 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.644 13.881 0.976 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.701 13.681 2.420 1.00 0.00 C ATOM 1252 C ASP A 88 -0.427 13.012 2.926 1.00 0.00 C ATOM 1253 O ASP A 88 0.247 13.532 3.816 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.919 12.834 2.791 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.378 13.074 4.216 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -3.283 14.228 4.684 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -3.831 12.107 4.864 1.00 0.00 O ATOM 0 H ASP A 88 -2.489 13.600 0.478 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.790 14.658 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.737 13.059 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.677 11.779 2.663 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.105 11.856 2.355 1.00 0.00 N ATOM 1263 CA ILE A 89 1.088 11.117 2.749 1.00 0.00 C ATOM 1264 C ILE A 89 2.320 12.016 2.743 1.00 0.00 C ATOM 1265 O ILE A 89 2.928 12.260 3.784 1.00 0.00 O ATOM 1266 CB ILE A 89 1.338 9.915 1.819 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.131 8.975 1.829 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.598 9.173 2.239 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.190 7.905 0.761 1.00 0.00 C ATOM 0 H ILE A 89 -0.653 11.411 1.619 1.00 0.00 H new ATOM 0 HA ILE A 89 0.913 10.753 3.761 1.00 0.00 H new ATOM 0 HB ILE A 89 1.479 10.284 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.060 8.498 2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.778 9.562 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.761 8.326 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.453 9.847 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.484 8.813 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.697 7.275 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.230 8.374 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.080 7.294 0.907 1.00 0.00 H new ATOM 1281 N ALA A 90 2.681 12.506 1.561 1.00 0.00 N ATOM 1282 CA ALA A 90 3.838 13.381 1.419 1.00 0.00 C ATOM 1283 C ALA A 90 3.915 14.380 2.569 1.00 0.00 C ATOM 1284 O ALA A 90 4.998 14.683 3.071 1.00 0.00 O ATOM 1285 CB ALA A 90 3.786 14.112 0.086 1.00 0.00 C ATOM 0 H ALA A 90 2.189 12.312 0.689 1.00 0.00 H new ATOM 0 HA ALA A 90 4.736 12.763 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.656 14.762 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.787 13.386 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.878 14.712 0.035 1.00 0.00 H new ATOM 1291 N LYS A 91 2.760 14.890 2.983 1.00 0.00 N ATOM 1292 CA LYS A 91 2.696 15.854 4.074 1.00 0.00 C ATOM 1293 C LYS A 91 2.927 15.171 5.418 1.00 0.00 C ATOM 1294 O LYS A 91 3.681 15.667 6.255 1.00 0.00 O ATOM 1295 CB LYS A 91 1.340 16.563 4.077 1.00 0.00 C ATOM 1296 CG LYS A 91 1.372 17.937 4.724 1.00 0.00 C ATOM 1297 CD LYS A 91 0.244 18.820 4.217 1.00 0.00 C ATOM 1298 CE LYS A 91 -1.095 18.406 4.807 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.131 18.590 6.284 1.00 0.00 N ATOM 0 H LYS A 91 1.855 14.651 2.578 1.00 0.00 H new ATOM 0 HA LYS A 91 3.484 16.591 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.990 16.663 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.615 15.941 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.295 17.832 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.330 18.415 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.450 19.859 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.197 18.764 3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.891 18.993 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.290 17.361 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.119 18.646 6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.663 17.784 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.635 19.469 6.537 1.00 0.00 H new ATOM 1313 N GLU A 92 2.274 14.030 5.617 1.00 0.00 N ATOM 1314 CA GLU A 92 2.410 13.280 6.860 1.00 0.00 C ATOM 1315 C GLU A 92 3.875 12.967 7.149 1.00 0.00 C ATOM 1316 O GLU A 92 4.337 13.096 8.284 1.00 0.00 O ATOM 1317 CB GLU A 92 1.604 11.981 6.788 1.00 0.00 C ATOM 1318 CG GLU A 92 1.327 11.361 8.147 1.00 0.00 C ATOM 1319 CD GLU A 92 0.743 12.354 9.133 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.440 12.721 8.974 1.00 0.00 O ATOM 1321 OE2 GLU A 92 1.468 12.764 10.064 1.00 0.00 O ATOM 0 H GLU A 92 1.646 13.605 4.934 1.00 0.00 H new ATOM 0 HA GLU A 92 2.021 13.896 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.656 12.179 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.145 11.261 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.638 10.525 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.253 10.954 8.552 1.00 0.00 H new ATOM 1328 N LEU A 93 4.601 12.555 6.116 1.00 0.00 N ATOM 1329 CA LEU A 93 6.014 12.223 6.257 1.00 0.00 C ATOM 1330 C LEU A 93 6.882 13.472 6.139 1.00 0.00 C ATOM 1331 O LEU A 93 8.032 13.485 6.580 1.00 0.00 O ATOM 1332 CB LEU A 93 6.426 11.199 5.198 1.00 0.00 C ATOM 1333 CG LEU A 93 5.847 9.794 5.361 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.660 9.461 6.833 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.527 9.670 4.613 1.00 0.00 C ATOM 0 H LEU A 93 4.234 12.443 5.171 1.00 0.00 H new ATOM 0 HA LEU A 93 6.163 11.792 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.132 11.580 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.513 11.124 5.198 1.00 0.00 H new ATOM 0 HG LEU A 93 6.552 9.080 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.247 8.457 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.623 9.508 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.976 10.180 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.130 8.663 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.815 10.394 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.690 9.864 3.553 1.00 0.00 H new ATOM 1347 N CYS A 94 6.324 14.519 5.542 1.00 0.00 N ATOM 1348 CA CYS A 94 7.046 15.774 5.367 1.00 0.00 C ATOM 1349 C CYS A 94 8.345 15.551 4.599 1.00 0.00 C ATOM 1350 O CYS A 94 9.414 15.988 5.027 1.00 0.00 O ATOM 1351 CB CYS A 94 7.345 16.409 6.726 1.00 0.00 C ATOM 1352 SG CYS A 94 7.827 18.149 6.638 1.00 0.00 S ATOM 0 H CYS A 94 5.374 14.524 5.171 1.00 0.00 H new ATOM 0 HA CYS A 94 6.415 16.450 4.790 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.462 16.319 7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.143 15.846 7.210 1.00 0.00 H new ATOM 0 HG CYS A 94 8.057 18.597 7.837 1.00 0.00 H new ATOM 1358 N LEU A 95 8.246 14.867 3.465 1.00 0.00 N ATOM 1359 CA LEU A 95 9.414 14.584 2.637 1.00 0.00 C ATOM 1360 C LEU A 95 9.674 15.722 1.656 1.00 0.00 C ATOM 1361 O LEU A 95 8.766 16.451 1.257 1.00 0.00 O ATOM 1362 CB LEU A 95 9.217 13.273 1.875 1.00 0.00 C ATOM 1363 CG LEU A 95 8.028 13.226 0.916 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.451 13.653 -0.481 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.420 11.831 0.887 1.00 0.00 C ATOM 0 H LEU A 95 7.369 14.498 3.097 1.00 0.00 H new ATOM 0 HA LEU A 95 10.280 14.489 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.124 13.066 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.105 12.468 2.601 1.00 0.00 H new ATOM 0 HG LEU A 95 7.271 13.924 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.591 13.613 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.838 14.671 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.227 12.981 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.575 11.817 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.171 11.114 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.079 11.562 1.887 1.00 0.00 H new ATOM 1377 N PRO A 96 10.945 15.878 1.254 1.00 0.00 N ATOM 1378 CA PRO A 96 11.354 16.924 0.311 1.00 0.00 C ATOM 1379 C PRO A 96 10.836 16.667 -1.100 1.00 0.00 C ATOM 1380 O PRO A 96 10.309 15.598 -1.409 1.00 0.00 O ATOM 1381 CB PRO A 96 12.883 16.850 0.342 1.00 0.00 C ATOM 1382 CG PRO A 96 13.186 15.451 0.755 1.00 0.00 C ATOM 1383 CD PRO A 96 12.079 15.046 1.688 1.00 0.00 C ATOM 0 HA PRO A 96 10.955 17.900 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.310 17.076 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.300 17.570 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.229 14.789 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.155 15.391 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.852 13.983 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.341 15.236 2.729 1.00 0.00 H new ATOM 1391 N PRO A 97 10.988 17.669 -1.978 1.00 0.00 N ATOM 1392 CA PRO A 97 10.543 17.575 -3.372 1.00 0.00 C ATOM 1393 C PRO A 97 11.389 16.602 -4.186 1.00 0.00 C ATOM 1394 O PRO A 97 11.020 16.223 -5.297 1.00 0.00 O ATOM 1395 CB PRO A 97 10.716 19.002 -3.897 1.00 0.00 C ATOM 1396 CG PRO A 97 11.777 19.597 -3.036 1.00 0.00 C ATOM 1397 CD PRO A 97 11.608 18.971 -1.679 1.00 0.00 C ATOM 0 HA PRO A 97 9.523 17.199 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.010 19.005 -4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.786 19.566 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.768 19.391 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.673 20.681 -2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.564 18.853 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.975 19.578 -1.032 1.00 0.00 H new ATOM 1405 N VAL A 98 12.526 16.201 -3.626 1.00 0.00 N ATOM 1406 CA VAL A 98 13.424 15.270 -4.299 1.00 0.00 C ATOM 1407 C VAL A 98 12.996 13.826 -4.064 1.00 0.00 C ATOM 1408 O VAL A 98 13.220 12.955 -4.905 1.00 0.00 O ATOM 1409 CB VAL A 98 14.877 15.448 -3.822 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.998 15.117 -2.342 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.818 14.584 -4.649 1.00 0.00 C ATOM 0 H VAL A 98 12.847 16.507 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 98 13.370 15.492 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 98 15.162 16.491 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.032 15.249 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.353 15.782 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.695 14.083 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.841 14.722 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.537 13.536 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.751 14.874 -5.698 1.00 0.00 H new ATOM 1421 N LYS A 99 12.378 13.578 -2.914 1.00 0.00 N ATOM 1422 CA LYS A 99 11.916 12.239 -2.567 1.00 0.00 C ATOM 1423 C LYS A 99 10.415 12.103 -2.802 1.00 0.00 C ATOM 1424 O LYS A 99 9.739 11.322 -2.132 1.00 0.00 O ATOM 1425 CB LYS A 99 12.243 11.928 -1.104 1.00 0.00 C ATOM 1426 CG LYS A 99 13.723 12.029 -0.778 1.00 0.00 C ATOM 1427 CD LYS A 99 14.547 11.070 -1.621 1.00 0.00 C ATOM 1428 CE LYS A 99 16.032 11.190 -1.312 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.759 9.920 -1.582 1.00 0.00 N ATOM 0 H LYS A 99 12.185 14.287 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 99 12.433 11.526 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.690 12.615 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.895 10.922 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.065 13.050 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.879 11.812 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.218 10.047 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.377 11.275 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.464 11.991 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.164 11.469 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.767 10.043 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.364 9.161 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.655 9.667 -2.585 1.00 0.00 H new ATOM 1443 N LEU A 100 9.900 12.867 -3.760 1.00 0.00 N ATOM 1444 CA LEU A 100 8.478 12.830 -4.086 1.00 0.00 C ATOM 1445 C LEU A 100 8.091 11.480 -4.681 1.00 0.00 C ATOM 1446 O LEU A 100 7.055 10.911 -4.334 1.00 0.00 O ATOM 1447 CB LEU A 100 8.131 13.952 -5.066 1.00 0.00 C ATOM 1448 CG LEU A 100 7.737 15.291 -4.442 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.740 16.391 -5.492 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.372 15.189 -3.777 1.00 0.00 C ATOM 0 H LEU A 100 10.445 13.519 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 100 7.914 12.974 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.989 14.116 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.311 13.614 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 100 8.472 15.544 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.457 17.336 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.738 16.481 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.027 16.145 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.108 16.151 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.625 14.912 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.404 14.430 -2.995 1.00 0.00 H new ATOM 1462 N HIS A 101 8.929 10.972 -5.579 1.00 0.00 N ATOM 1463 CA HIS A 101 8.676 9.687 -6.221 1.00 0.00 C ATOM 1464 C HIS A 101 8.064 8.698 -5.233 1.00 0.00 C ATOM 1465 O HIS A 101 7.172 7.926 -5.586 1.00 0.00 O ATOM 1466 CB HIS A 101 9.972 9.116 -6.795 1.00 0.00 C ATOM 1467 CG HIS A 101 10.976 8.739 -5.750 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.803 9.655 -5.135 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.282 7.536 -5.209 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.576 9.032 -4.263 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.279 7.745 -4.288 1.00 0.00 N ATOM 0 H HIS A 101 9.789 11.431 -5.879 1.00 0.00 H new ATOM 0 HA HIS A 101 7.968 9.848 -7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.737 8.237 -7.395 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.417 9.851 -7.466 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.816 10.657 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.827 6.588 -5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.323 9.496 -3.636 1.00 0.00 H new ATOM 1479 N CYS A 102 8.549 8.727 -3.997 1.00 0.00 N ATOM 1480 CA CYS A 102 8.050 7.832 -2.959 1.00 0.00 C ATOM 1481 C CYS A 102 6.583 8.117 -2.654 1.00 0.00 C ATOM 1482 O CYS A 102 5.737 7.226 -2.735 1.00 0.00 O ATOM 1483 CB CYS A 102 8.886 7.977 -1.687 1.00 0.00 C ATOM 1484 SG CYS A 102 10.639 7.592 -1.908 1.00 0.00 S ATOM 0 H CYS A 102 9.287 9.360 -3.689 1.00 0.00 H new ATOM 0 HA CYS A 102 8.133 6.809 -3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.793 8.999 -1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.475 7.322 -0.918 1.00 0.00 H new ATOM 0 HG CYS A 102 10.951 7.697 -3.166 1.00 0.00 H new ATOM 1490 N SER A 103 6.289 9.364 -2.301 1.00 0.00 N ATOM 1491 CA SER A 103 4.925 9.766 -1.977 1.00 0.00 C ATOM 1492 C SER A 103 3.929 9.137 -2.947 1.00 0.00 C ATOM 1493 O SER A 103 3.080 8.339 -2.551 1.00 0.00 O ATOM 1494 CB SER A 103 4.798 11.290 -2.015 1.00 0.00 C ATOM 1495 OG SER A 103 3.437 11.688 -2.025 1.00 0.00 O ATOM 0 H SER A 103 6.977 10.114 -2.232 1.00 0.00 H new ATOM 0 HA SER A 103 4.698 9.414 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.300 11.722 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.300 11.678 -2.901 1.00 0.00 H new ATOM 0 HG SER A 103 3.322 12.445 -2.637 1.00 0.00 H new ATOM 1501 N MET A 104 4.041 9.502 -4.220 1.00 0.00 N ATOM 1502 CA MET A 104 3.151 8.973 -5.247 1.00 0.00 C ATOM 1503 C MET A 104 3.193 7.449 -5.270 1.00 0.00 C ATOM 1504 O MET A 104 2.157 6.791 -5.382 1.00 0.00 O ATOM 1505 CB MET A 104 3.538 9.526 -6.620 1.00 0.00 C ATOM 1506 CG MET A 104 4.985 9.256 -6.999 1.00 0.00 C ATOM 1507 SD MET A 104 5.591 10.379 -8.273 1.00 0.00 S ATOM 1508 CE MET A 104 5.933 11.842 -7.300 1.00 0.00 C ATOM 0 H MET A 104 4.739 10.161 -4.565 1.00 0.00 H new ATOM 0 HA MET A 104 2.135 9.287 -5.009 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.886 9.089 -7.376 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.363 10.602 -6.632 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.612 9.347 -6.112 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.079 8.229 -7.351 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.426 12.700 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.574 11.694 -6.281 1.00 0.00 H new ATOM 0 HE3 MET A 104 7.007 12.025 -7.283 1.00 0.00 H new ATOM 1518 N LEU A 105 4.394 6.893 -5.163 1.00 0.00 N ATOM 1519 CA LEU A 105 4.571 5.445 -5.171 1.00 0.00 C ATOM 1520 C LEU A 105 3.632 4.776 -4.171 1.00 0.00 C ATOM 1521 O LEU A 105 3.051 3.729 -4.455 1.00 0.00 O ATOM 1522 CB LEU A 105 6.021 5.086 -4.844 1.00 0.00 C ATOM 1523 CG LEU A 105 6.462 3.669 -5.214 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.746 3.571 -6.705 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.687 3.264 -4.408 1.00 0.00 C ATOM 0 H LEU A 105 5.261 7.423 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 105 4.329 5.080 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.674 5.793 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.176 5.226 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 105 5.651 2.982 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.058 2.556 -6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.844 3.818 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.540 4.269 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.987 2.253 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.504 3.954 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.449 3.294 -3.345 1.00 0.00 H new ATOM 1537 N ALA A 106 3.487 5.390 -3.002 1.00 0.00 N ATOM 1538 CA ALA A 106 2.616 4.857 -1.962 1.00 0.00 C ATOM 1539 C ALA A 106 1.167 4.800 -2.435 1.00 0.00 C ATOM 1540 O ALA A 106 0.502 3.773 -2.303 1.00 0.00 O ATOM 1541 CB ALA A 106 2.727 5.697 -0.698 1.00 0.00 C ATOM 0 H ALA A 106 3.962 6.257 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 106 2.939 3.840 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.071 5.287 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.757 5.683 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.433 6.724 -0.916 1.00 0.00 H new ATOM 1547 N GLU A 107 0.685 5.910 -2.987 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.685 5.985 -3.478 1.00 0.00 C ATOM 1549 C GLU A 107 -0.924 4.959 -4.583 1.00 0.00 C ATOM 1550 O GLU A 107 -1.879 4.183 -4.528 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.988 7.391 -3.998 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.418 7.568 -4.479 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.540 8.603 -5.580 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.615 9.431 -5.721 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.560 8.586 -6.301 1.00 0.00 O ATOM 0 H GLU A 107 1.223 6.768 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.354 5.761 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.788 8.113 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.307 7.620 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.796 6.612 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.046 7.862 -3.638 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.051 4.963 -5.584 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.166 4.034 -6.702 1.00 0.00 C ATOM 1564 C ASP A 108 -0.188 2.591 -6.209 1.00 0.00 C ATOM 1565 O ASP A 108 -0.843 1.732 -6.799 1.00 0.00 O ATOM 1566 CB ASP A 108 0.992 4.235 -7.680 1.00 0.00 C ATOM 1567 CG ASP A 108 0.967 5.601 -8.336 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.135 6.172 -8.477 1.00 0.00 O ATOM 1569 OD2 ASP A 108 2.049 6.101 -8.707 1.00 0.00 O ATOM 0 H ASP A 108 0.744 5.599 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.105 4.237 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.936 4.107 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.951 3.465 -8.450 1.00 0.00 H new ATOM 1574 N ALA A 109 0.534 2.331 -5.123 1.00 0.00 N ATOM 1575 CA ALA A 109 0.597 0.992 -4.551 1.00 0.00 C ATOM 1576 C ALA A 109 -0.765 0.558 -4.018 1.00 0.00 C ATOM 1577 O ALA A 109 -1.268 -0.509 -4.368 1.00 0.00 O ATOM 1578 CB ALA A 109 1.640 0.940 -3.444 1.00 0.00 C ATOM 0 H ALA A 109 1.083 3.030 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 109 0.886 0.299 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.677 -0.066 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.617 1.199 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.375 1.650 -2.660 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.355 1.393 -3.169 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.659 1.095 -2.588 1.00 0.00 C ATOM 1586 C ILE A 110 -3.666 0.710 -3.666 1.00 0.00 C ATOM 1587 O ILE A 110 -4.145 -0.423 -3.709 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.208 2.294 -1.792 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.272 2.635 -0.631 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.608 1.993 -1.280 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.418 4.056 -0.135 1.00 0.00 C ATOM 0 H ILE A 110 -0.951 2.280 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.518 0.254 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.263 3.157 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.465 1.949 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.241 2.473 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.982 2.850 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.269 1.794 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.577 1.119 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.724 4.227 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.196 4.749 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.439 4.217 0.211 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.983 1.661 -4.538 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.931 1.423 -5.620 1.00 0.00 C ATOM 1605 C LYS A 111 -4.692 0.060 -6.262 1.00 0.00 C ATOM 1606 O LYS A 111 -5.596 -0.773 -6.326 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.817 2.524 -6.678 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.676 3.741 -6.384 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.953 4.731 -5.487 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.847 5.905 -5.118 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.756 7.006 -6.116 1.00 0.00 N ATOM 0 H LYS A 111 -3.597 2.605 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.936 1.436 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.775 2.835 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.101 2.115 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.949 4.229 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.603 3.426 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.621 4.226 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.060 5.097 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.880 5.566 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.565 6.282 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.592 7.619 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.898 7.566 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.714 6.604 -7.074 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.470 -0.161 -6.735 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.113 -1.424 -7.368 1.00 0.00 C ATOM 1627 C ALA A 112 -3.657 -2.608 -6.577 1.00 0.00 C ATOM 1628 O ALA A 112 -4.239 -3.532 -7.145 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.602 -1.533 -7.513 1.00 0.00 C ATOM 0 H ALA A 112 -2.711 0.519 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.565 -1.445 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.349 -2.481 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.235 -0.711 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.138 -1.485 -6.528 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.462 -2.575 -5.263 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.935 -3.646 -4.393 1.00 0.00 C ATOM 1637 C ALA A 113 -5.428 -3.890 -4.585 1.00 0.00 C ATOM 1638 O ALA A 113 -5.834 -4.913 -5.138 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.635 -3.315 -2.939 1.00 0.00 C ATOM 0 H ALA A 113 -2.980 -1.819 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.407 -4.560 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.993 -4.123 -2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.559 -3.198 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.137 -2.387 -2.666 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.241 -2.945 -4.126 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.690 -3.059 -4.247 1.00 0.00 C ATOM 1647 C LEU A 114 -8.089 -3.462 -5.663 1.00 0.00 C ATOM 1648 O LEU A 114 -8.761 -4.473 -5.865 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.358 -1.733 -3.875 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.999 -1.163 -2.503 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.637 -2.281 -1.538 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.854 -0.167 -2.622 1.00 0.00 C ATOM 0 H LEU A 114 -5.922 -2.092 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.027 -3.835 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.099 -0.993 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.439 -1.869 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.870 -0.639 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.384 -1.856 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.486 -2.956 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.781 -2.833 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.612 0.229 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.979 -0.667 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.150 0.651 -3.278 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.668 -2.666 -6.640 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.977 -2.943 -8.037 1.00 0.00 C ATOM 1666 C ALA A 115 -7.645 -4.387 -8.398 1.00 0.00 C ATOM 1667 O ALA A 115 -8.539 -5.196 -8.647 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.222 -1.983 -8.945 1.00 0.00 C ATOM 0 H ALA A 115 -7.112 -1.824 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.047 -2.797 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.462 -2.201 -9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.512 -0.958 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.150 -2.101 -8.788 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.355 -4.704 -8.423 1.00 0.00 N ATOM 1675 CA ASP A 116 -5.905 -6.051 -8.753 1.00 0.00 C ATOM 1676 C ASP A 116 -6.827 -7.098 -8.137 1.00 0.00 C ATOM 1677 O ASP A 116 -7.176 -8.089 -8.780 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.471 -6.266 -8.265 1.00 0.00 C ATOM 1679 CG ASP A 116 -3.827 -7.491 -8.884 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.166 -8.617 -8.462 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -2.985 -7.324 -9.791 1.00 0.00 O ATOM 0 H ASP A 116 -5.603 -4.046 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.932 -6.162 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.874 -5.386 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.471 -6.368 -7.180 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.219 -6.873 -6.888 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.098 -7.798 -6.184 1.00 0.00 C ATOM 1688 C TYR A 117 -9.462 -7.879 -6.864 1.00 0.00 C ATOM 1689 O TYR A 117 -9.986 -8.966 -7.104 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.268 -7.365 -4.727 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.596 -7.767 -4.126 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -9.782 -9.033 -3.585 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.664 -6.879 -4.098 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -10.994 -9.405 -3.036 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -11.880 -7.242 -3.549 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.039 -8.506 -3.020 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.248 -8.871 -2.473 1.00 0.00 O ATOM 0 H TYR A 117 -6.941 -6.057 -6.342 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.639 -8.786 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.464 -7.798 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.163 -6.282 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -8.965 -9.739 -3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.542 -5.889 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.122 -10.394 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.701 -6.540 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 117 -13.877 -8.122 -2.540 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.031 -6.718 -7.172 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.333 -6.654 -7.826 1.00 0.00 C ATOM 1709 C LYS A 118 -11.303 -7.379 -9.168 1.00 0.00 C ATOM 1710 O LYS A 118 -12.221 -8.130 -9.500 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.752 -5.197 -8.031 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.070 -4.468 -6.737 1.00 0.00 C ATOM 1713 CD LYS A 118 -12.049 -2.960 -6.926 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.640 -2.243 -5.649 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.266 -0.896 -5.544 1.00 0.00 N ATOM 0 H LYS A 118 -9.611 -5.809 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.061 -7.148 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.953 -4.667 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.627 -5.167 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.051 -4.777 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.346 -4.750 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.356 -2.702 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -13.036 -2.618 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.927 -2.845 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.555 -2.142 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.962 -0.440 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.972 -0.313 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.301 -0.993 -5.545 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.244 -7.150 -9.936 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.094 -7.783 -11.242 1.00 0.00 C ATOM 1731 C LEU A 119 -10.366 -9.281 -11.155 1.00 0.00 C ATOM 1732 O LEU A 119 -11.029 -9.854 -12.021 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.687 -7.539 -11.790 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.159 -6.109 -11.674 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.884 -5.942 -12.485 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.216 -5.112 -12.127 1.00 0.00 C ATOM 0 H LEU A 119 -9.476 -6.531 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.823 -7.339 -11.920 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.996 -8.203 -11.270 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.674 -7.825 -12.842 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.927 -5.912 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.524 -4.918 -12.390 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.124 -6.630 -12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.089 -6.159 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.823 -4.099 -12.038 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.480 -5.308 -13.166 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.103 -5.213 -11.502 1.00 0.00 H new ATOM 1748 N LYS A 120 -9.852 -9.911 -10.104 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.042 -11.342 -9.901 1.00 0.00 C ATOM 1750 C LYS A 120 -11.509 -11.664 -9.633 1.00 0.00 C ATOM 1751 O LYS A 120 -12.038 -12.654 -10.137 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.180 -11.831 -8.735 1.00 0.00 C ATOM 1753 CG LYS A 120 -7.728 -11.394 -8.826 1.00 0.00 C ATOM 1754 CD LYS A 120 -6.979 -11.674 -7.534 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.884 -11.519 -6.321 1.00 0.00 C ATOM 1756 NZ LYS A 120 -7.105 -11.454 -5.053 1.00 0.00 N ATOM 0 H LYS A 120 -9.300 -9.452 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 120 -9.736 -11.857 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -9.604 -11.462 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.221 -12.920 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.241 -11.916 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -7.681 -10.329 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.573 -12.685 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -6.133 -10.992 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -8.482 -10.614 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -8.580 -12.357 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -7.673 -11.848 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.229 -12.005 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.869 -10.464 -4.841 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.159 -10.820 -8.839 1.00 0.00 N ATOM 1771 CA GLN A 121 -13.565 -11.016 -8.505 1.00 0.00 C ATOM 1772 C GLN A 121 -14.442 -10.884 -9.746 1.00 0.00 C ATOM 1773 O GLN A 121 -15.466 -11.556 -9.868 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.005 -10.004 -7.446 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.215 -10.098 -6.150 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.418 -11.420 -5.437 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.382 -11.595 -4.692 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.507 -12.360 -5.662 1.00 0.00 N ATOM 0 H GLN A 121 -11.735 -9.995 -8.415 1.00 0.00 H new ATOM 0 HA GLN A 121 -13.681 -12.023 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -13.903 -8.998 -7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.063 -10.154 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.155 -9.965 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.511 -9.284 -5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.724 -12.172 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.591 -13.270 -5.209 1.00 0.00 H new