USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 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 82 LYS NZ :NH3+ -159:sc= 1.5 (180deg=0.367) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.1: A 44 HIS : no HD1:sc= 0.287 K(o=0.82,f=-4.6!) USER MOD Set 2.2: A 46 GLN : amide:sc= 0.537 K(o=0.82,f=-0.27) USER MOD Single : A 21 MET CE :methyl 177:sc= 0 (180deg=-0.0273) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00331) USER MOD Single : A 36 THR OG1 : rot 74:sc= 0.547 USER MOD Single : A 39 SER OG : rot -29:sc= 0.0577 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 60 GLN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 61 MET CE :methyl -174:sc= -0.379 (180deg=-0.585) USER MOD Single : A 64 GLN : amide:sc= -0.162 K(o=-0.16,f=0.41) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -3.48 K(o=-3.5,f=-6.9!) USER MOD Single : A 70 THR OG1 : rot -114:sc= -0.355 USER MOD Single : A 73 MET CE :methyl -175:sc= -1.69 (180deg=-1.77) USER MOD Single : A 74 SER OG : rot -160:sc= 0.169 USER MOD Single : A 78 SER OG : rot -59:sc= 1.19 USER MOD Single : A 86 SER OG : rot -110:sc=-0.00914 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 160:sc= 0.526 USER MOD Single : A 93 CYS SG : rot 173:sc= -3.13! USER MOD Single : A 97 THR OG1 : rot 160:sc= -0.694 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 152:sc= -0.235 (180deg=-0.363) USER MOD Single : A 109 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.7) USER MOD Single : A 111 SER OG : rot -109:sc= 0.0508 USER MOD Single : A 113 LYS NZ :NH3+ 146:sc= 1.77 (180deg=0.705) USER MOD Single : A 114 GLN : amide:sc= -4.1! C(o=-4.1!,f=-6.1!) USER MOD Single : A 115 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.9!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -160:sc= -1.7! USER MOD Single : A 123 ASN : amide:sc=-0.00368 K(o=-0.0037,f=-0.88) USER MOD Single : A 124 SER OG : rot 160:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 78:sc= 0.585 USER MOD Single : A 135 THR OG1 : rot 70:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -2.579 13.842 -8.290 1.00 70.24 N ATOM 287 CA LEU A 20 -1.796 13.112 -7.276 1.00 2.24 C ATOM 288 C LEU A 20 -0.296 13.129 -7.620 1.00 3.15 C ATOM 289 O LEU A 20 0.154 12.420 -8.524 1.00 43.51 O ATOM 290 CB LEU A 20 -2.266 11.633 -7.142 1.00 72.20 C ATOM 291 CG LEU A 20 -1.381 10.705 -6.224 1.00 72.31 C ATOM 292 CD1 LEU A 20 -1.433 11.145 -4.761 1.00 2.43 C ATOM 293 CD2 LEU A 20 -1.771 9.227 -6.360 1.00 22.11 C ATOM 0 HA LEU A 20 -1.959 13.622 -6.327 1.00 2.24 H new ATOM 0 HB2 LEU A 20 -3.284 11.630 -6.753 1.00 72.20 H new ATOM 0 HB3 LEU A 20 -2.305 11.193 -8.139 1.00 72.20 H new ATOM 0 HG LEU A 20 -0.353 10.810 -6.571 1.00 72.31 H new ATOM 0 HD11 LEU A 20 -0.811 10.482 -4.159 1.00 2.43 H new ATOM 0 HD12 LEU A 20 -1.063 12.167 -4.675 1.00 2.43 H new ATOM 0 HD13 LEU A 20 -2.462 11.101 -4.404 1.00 2.43 H new ATOM 0 HD21 LEU A 20 -1.137 8.622 -5.711 1.00 22.11 H new ATOM 0 HD22 LEU A 20 -2.814 9.098 -6.071 1.00 22.11 H new ATOM 0 HD23 LEU A 20 -1.639 8.910 -7.394 1.00 22.11 H new ATOM 305 N MET A 21 0.453 13.966 -6.907 1.00 74.14 N ATOM 306 CA MET A 21 1.921 13.893 -6.869 1.00 73.44 C ATOM 307 C MET A 21 2.292 13.110 -5.606 1.00 21.13 C ATOM 308 O MET A 21 1.793 13.424 -4.535 1.00 33.33 O ATOM 309 CB MET A 21 2.544 15.314 -6.820 1.00 74.35 C ATOM 310 CG MET A 21 2.123 16.249 -7.963 1.00 50.35 C ATOM 311 SD MET A 21 2.510 17.988 -7.619 1.00 53.11 S ATOM 312 CE MET A 21 4.293 17.964 -7.410 1.00 11.13 C ATOM 0 H MET A 21 0.064 14.717 -6.337 1.00 74.14 H new ATOM 0 HA MET A 21 2.304 13.404 -7.765 1.00 73.44 H new ATOM 0 HB2 MET A 21 2.274 15.780 -5.872 1.00 74.35 H new ATOM 0 HB3 MET A 21 3.630 15.218 -6.831 1.00 74.35 H new ATOM 0 HG2 MET A 21 2.625 15.944 -8.881 1.00 50.35 H new ATOM 0 HG3 MET A 21 1.052 16.146 -8.136 1.00 50.35 H new ATOM 0 HE1 MET A 21 4.654 18.980 -7.248 1.00 11.13 H new ATOM 0 HE2 MET A 21 4.550 17.346 -6.550 1.00 11.13 H new ATOM 0 HE3 MET A 21 4.759 17.552 -8.305 1.00 11.13 H new ATOM 322 N LEU A 22 3.151 12.094 -5.736 1.00 35.05 N ATOM 323 CA LEU A 22 3.601 11.286 -4.583 1.00 61.13 C ATOM 324 C LEU A 22 4.999 11.764 -4.190 1.00 43.13 C ATOM 325 O LEU A 22 5.975 11.490 -4.889 1.00 64.01 O ATOM 326 CB LEU A 22 3.603 9.771 -4.941 1.00 14.33 C ATOM 327 CG LEU A 22 2.199 9.113 -5.117 1.00 62.25 C ATOM 328 CD1 LEU A 22 2.308 7.716 -5.758 1.00 23.14 C ATOM 329 CD2 LEU A 22 1.448 9.037 -3.772 1.00 44.44 C ATOM 0 H LEU A 22 3.553 11.806 -6.628 1.00 35.05 H new ATOM 0 HA LEU A 22 2.919 11.413 -3.743 1.00 61.13 H new ATOM 0 HB2 LEU A 22 4.165 9.636 -5.865 1.00 14.33 H new ATOM 0 HB3 LEU A 22 4.140 9.233 -4.160 1.00 14.33 H new ATOM 0 HG LEU A 22 1.625 9.747 -5.792 1.00 62.25 H new ATOM 0 HD11 LEU A 22 1.312 7.287 -5.866 1.00 23.14 H new ATOM 0 HD12 LEU A 22 2.775 7.801 -6.739 1.00 23.14 H new ATOM 0 HD13 LEU A 22 2.915 7.071 -5.123 1.00 23.14 H new ATOM 0 HD21 LEU A 22 0.473 8.574 -3.925 1.00 44.44 H new ATOM 0 HD22 LEU A 22 2.026 8.441 -3.066 1.00 44.44 H new ATOM 0 HD23 LEU A 22 1.314 10.042 -3.373 1.00 44.44 H new ATOM 409 N GLN A 27 10.936 7.663 6.563 1.00 5.42 N ATOM 410 CA GLN A 27 10.816 6.221 6.804 1.00 42.32 C ATOM 411 C GLN A 27 10.012 5.953 8.093 1.00 43.54 C ATOM 412 O GLN A 27 10.546 6.065 9.202 1.00 31.13 O ATOM 413 CB GLN A 27 12.212 5.544 6.868 1.00 4.32 C ATOM 414 CG GLN A 27 12.998 5.558 5.536 1.00 34.00 C ATOM 415 CD GLN A 27 14.413 4.976 5.659 1.00 21.43 C ATOM 416 OE1 GLN A 27 15.045 5.060 6.712 1.00 62.41 O ATOM 417 NE2 GLN A 27 14.927 4.385 4.588 1.00 73.41 N ATOM 0 HA GLN A 27 10.275 5.782 5.966 1.00 42.32 H new ATOM 0 HB2 GLN A 27 12.808 6.043 7.631 1.00 4.32 H new ATOM 0 HB3 GLN A 27 12.085 4.510 7.189 1.00 4.32 H new ATOM 0 HG2 GLN A 27 12.443 4.991 4.789 1.00 34.00 H new ATOM 0 HG3 GLN A 27 13.065 6.583 5.173 1.00 34.00 H new ATOM 0 HE21 GLN A 27 14.383 4.328 3.727 1.00 73.41 H new ATOM 0 HE22 GLN A 27 15.866 3.988 4.626 1.00 73.41 H new ATOM 426 N LEU A 28 8.711 5.637 7.926 1.00 25.34 N ATOM 427 CA LEU A 28 7.819 5.322 9.050 1.00 61.33 C ATOM 428 C LEU A 28 8.157 3.939 9.614 1.00 24.02 C ATOM 429 O LEU A 28 8.320 2.982 8.858 1.00 51.23 O ATOM 430 CB LEU A 28 6.326 5.375 8.629 1.00 52.53 C ATOM 431 CG LEU A 28 5.834 6.710 8.006 1.00 65.24 C ATOM 432 CD1 LEU A 28 4.314 6.686 7.792 1.00 34.14 C ATOM 433 CD2 LEU A 28 6.242 7.909 8.867 1.00 51.44 C ATOM 0 H LEU A 28 8.257 5.594 7.014 1.00 25.34 H new ATOM 0 HA LEU A 28 7.974 6.077 9.821 1.00 61.33 H new ATOM 0 HB2 LEU A 28 6.144 4.575 7.911 1.00 52.53 H new ATOM 0 HB3 LEU A 28 5.715 5.161 9.506 1.00 52.53 H new ATOM 0 HG LEU A 28 6.314 6.819 7.034 1.00 65.24 H new ATOM 0 HD11 LEU A 28 3.993 7.632 7.355 1.00 34.14 H new ATOM 0 HD12 LEU A 28 4.054 5.869 7.119 1.00 34.14 H new ATOM 0 HD13 LEU A 28 3.814 6.541 8.750 1.00 34.14 H new ATOM 0 HD21 LEU A 28 5.883 8.828 8.404 1.00 51.44 H new ATOM 0 HD22 LEU A 28 5.806 7.809 9.861 1.00 51.44 H new ATOM 0 HD23 LEU A 28 7.328 7.945 8.950 1.00 51.44 H new ATOM 445 N THR A 29 8.267 3.854 10.943 1.00 55.34 N ATOM 446 CA THR A 29 8.499 2.589 11.646 1.00 23.13 C ATOM 447 C THR A 29 7.205 1.764 11.665 1.00 54.54 C ATOM 448 O THR A 29 6.126 2.296 11.391 1.00 2.40 O ATOM 449 CB THR A 29 8.975 2.852 13.106 1.00 3.43 C ATOM 450 OG1 THR A 29 8.002 3.651 13.793 1.00 64.25 O ATOM 451 CG2 THR A 29 10.345 3.548 13.154 1.00 3.31 C ATOM 0 H THR A 29 8.198 4.661 11.562 1.00 55.34 H new ATOM 0 HA THR A 29 9.277 2.036 11.120 1.00 23.13 H new ATOM 0 HB THR A 29 9.082 1.885 13.597 1.00 3.43 H new ATOM 0 HG1 THR A 29 8.302 3.814 14.712 1.00 64.25 H new ATOM 0 HG21 THR A 29 10.635 3.710 14.192 1.00 3.31 H new ATOM 0 HG22 THR A 29 11.089 2.921 12.664 1.00 3.31 H new ATOM 0 HG23 THR A 29 10.284 4.507 12.640 1.00 3.31 H new ATOM 459 N ALA A 30 7.330 0.467 11.968 1.00 23.35 N ATOM 460 CA ALA A 30 6.180 -0.436 12.146 1.00 73.40 C ATOM 461 C ALA A 30 5.277 0.033 13.307 1.00 12.10 C ATOM 462 O ALA A 30 4.052 -0.103 13.239 1.00 24.44 O ATOM 463 CB ALA A 30 6.673 -1.876 12.348 1.00 33.11 C ATOM 0 H ALA A 30 8.233 0.010 12.098 1.00 23.35 H new ATOM 0 HA ALA A 30 5.569 -0.411 11.244 1.00 73.40 H new ATOM 0 HB1 ALA A 30 5.817 -2.538 12.479 1.00 33.11 H new ATOM 0 HB2 ALA A 30 7.245 -2.191 11.475 1.00 33.11 H new ATOM 0 HB3 ALA A 30 7.307 -1.923 13.233 1.00 33.11 H new ATOM 469 N ASP A 31 5.899 0.612 14.355 1.00 55.21 N ATOM 470 CA ASP A 31 5.170 1.175 15.512 1.00 62.31 C ATOM 471 C ASP A 31 4.361 2.417 15.105 1.00 63.52 C ATOM 472 O ASP A 31 3.205 2.574 15.516 1.00 53.33 O ATOM 473 CB ASP A 31 6.148 1.513 16.686 1.00 42.23 C ATOM 474 CG ASP A 31 6.521 0.280 17.542 1.00 71.24 C ATOM 475 OD1 ASP A 31 7.387 -0.512 17.127 1.00 4.14 O ATOM 476 OD2 ASP A 31 5.935 0.091 18.628 1.00 11.34 O ATOM 0 H ASP A 31 6.913 0.702 14.424 1.00 55.21 H new ATOM 0 HA ASP A 31 4.471 0.415 15.863 1.00 62.31 H new ATOM 0 HB2 ASP A 31 7.058 1.952 16.277 1.00 42.23 H new ATOM 0 HB3 ASP A 31 5.690 2.267 17.326 1.00 42.23 H new ATOM 481 N TYR A 32 4.975 3.299 14.285 1.00 63.34 N ATOM 482 CA TYR A 32 4.321 4.538 13.838 1.00 22.23 C ATOM 483 C TYR A 32 3.198 4.214 12.840 1.00 62.40 C ATOM 484 O TYR A 32 2.146 4.857 12.864 1.00 20.55 O ATOM 485 CB TYR A 32 5.335 5.529 13.203 1.00 53.53 C ATOM 486 CG TYR A 32 4.733 6.918 12.937 1.00 41.33 C ATOM 487 CD1 TYR A 32 4.739 7.895 13.929 1.00 53.20 C ATOM 488 CD2 TYR A 32 4.135 7.233 11.715 1.00 41.33 C ATOM 489 CE1 TYR A 32 4.176 9.133 13.712 1.00 22.41 C ATOM 490 CE2 TYR A 32 3.564 8.465 11.498 1.00 41.51 C ATOM 491 CZ TYR A 32 3.589 9.412 12.495 1.00 21.32 C ATOM 492 OH TYR A 32 3.004 10.641 12.282 1.00 21.33 O ATOM 0 H TYR A 32 5.920 3.172 13.923 1.00 63.34 H new ATOM 0 HA TYR A 32 3.894 5.022 14.716 1.00 22.23 H new ATOM 0 HB2 TYR A 32 6.195 5.633 13.864 1.00 53.53 H new ATOM 0 HB3 TYR A 32 5.702 5.113 12.265 1.00 53.53 H new ATOM 0 HD1 TYR A 32 5.193 7.678 14.885 1.00 53.20 H new ATOM 0 HD2 TYR A 32 4.121 6.496 10.926 1.00 41.33 H new ATOM 0 HE1 TYR A 32 4.194 9.881 14.490 1.00 22.41 H new ATOM 0 HE2 TYR A 32 3.098 8.688 10.549 1.00 41.51 H new ATOM 0 HH TYR A 32 2.638 10.676 11.374 1.00 21.33 H new ATOM 502 N PHE A 33 3.456 3.242 11.940 1.00 65.13 N ATOM 503 CA PHE A 33 2.449 2.759 10.981 1.00 11.42 C ATOM 504 C PHE A 33 1.203 2.284 11.728 1.00 11.34 C ATOM 505 O PHE A 33 0.110 2.743 11.441 1.00 72.34 O ATOM 506 CB PHE A 33 3.001 1.603 10.104 1.00 63.31 C ATOM 507 CG PHE A 33 2.027 1.119 9.018 1.00 34.24 C ATOM 508 CD1 PHE A 33 1.008 0.199 9.296 1.00 2.41 C ATOM 509 CD2 PHE A 33 2.112 1.612 7.727 1.00 45.41 C ATOM 510 CE1 PHE A 33 0.121 -0.199 8.319 1.00 32.14 C ATOM 511 CE2 PHE A 33 1.231 1.201 6.747 1.00 73.25 C ATOM 512 CZ PHE A 33 0.233 0.304 7.042 1.00 34.51 C ATOM 0 H PHE A 33 4.360 2.776 11.860 1.00 65.13 H new ATOM 0 HA PHE A 33 2.193 3.590 10.324 1.00 11.42 H new ATOM 0 HB2 PHE A 33 3.925 1.932 9.628 1.00 63.31 H new ATOM 0 HB3 PHE A 33 3.256 0.762 10.749 1.00 63.31 H new ATOM 0 HD1 PHE A 33 0.916 -0.205 10.293 1.00 2.41 H new ATOM 0 HD2 PHE A 33 2.881 2.330 7.483 1.00 45.41 H new ATOM 0 HE1 PHE A 33 -0.661 -0.905 8.555 1.00 32.14 H new ATOM 0 HE2 PHE A 33 1.327 1.587 5.743 1.00 73.25 H new ATOM 0 HZ PHE A 33 -0.461 -0.006 6.275 1.00 34.51 H new ATOM 522 N GLU A 34 1.413 1.355 12.684 1.00 50.32 N ATOM 523 CA GLU A 34 0.341 0.742 13.484 1.00 13.02 C ATOM 524 C GLU A 34 -0.470 1.823 14.226 1.00 70.01 C ATOM 525 O GLU A 34 -1.690 1.718 14.340 1.00 43.30 O ATOM 526 CB GLU A 34 0.942 -0.276 14.489 1.00 21.42 C ATOM 527 CG GLU A 34 -0.111 -1.076 15.285 1.00 54.15 C ATOM 528 CD GLU A 34 0.493 -1.936 16.397 1.00 62.03 C ATOM 529 OE1 GLU A 34 0.644 -1.426 17.532 1.00 41.23 O ATOM 530 OE2 GLU A 34 0.837 -3.116 16.145 1.00 11.52 O ATOM 0 H GLU A 34 2.342 1.008 12.922 1.00 50.32 H new ATOM 0 HA GLU A 34 -0.335 0.213 12.813 1.00 13.02 H new ATOM 0 HB2 GLU A 34 1.578 -0.975 13.945 1.00 21.42 H new ATOM 0 HB3 GLU A 34 1.583 0.258 15.191 1.00 21.42 H new ATOM 0 HG2 GLU A 34 -0.830 -0.382 15.722 1.00 54.15 H new ATOM 0 HG3 GLU A 34 -0.664 -1.718 14.599 1.00 54.15 H new ATOM 537 N LYS A 35 0.241 2.864 14.701 1.00 11.31 N ATOM 538 CA LYS A 35 -0.367 4.033 15.361 1.00 33.32 C ATOM 539 C LYS A 35 -1.352 4.743 14.419 1.00 51.23 C ATOM 540 O LYS A 35 -2.531 4.881 14.742 1.00 73.43 O ATOM 541 CB LYS A 35 0.754 5.012 15.801 1.00 54.31 C ATOM 542 CG LYS A 35 0.262 6.340 16.430 1.00 53.05 C ATOM 543 CD LYS A 35 1.406 7.349 16.677 1.00 64.20 C ATOM 544 CE LYS A 35 2.519 6.796 17.578 1.00 24.22 C ATOM 545 NZ LYS A 35 2.021 6.394 18.923 1.00 22.35 N ATOM 0 H LYS A 35 1.258 2.917 14.637 1.00 11.31 H new ATOM 0 HA LYS A 35 -0.923 3.696 16.236 1.00 33.32 H new ATOM 0 HB2 LYS A 35 1.396 4.504 16.521 1.00 54.31 H new ATOM 0 HB3 LYS A 35 1.371 5.246 14.933 1.00 54.31 H new ATOM 0 HG2 LYS A 35 -0.480 6.794 15.774 1.00 53.05 H new ATOM 0 HG3 LYS A 35 -0.237 6.126 17.375 1.00 53.05 H new ATOM 0 HD2 LYS A 35 1.836 7.642 15.719 1.00 64.20 H new ATOM 0 HD3 LYS A 35 0.994 8.250 17.131 1.00 64.20 H new ATOM 0 HE2 LYS A 35 2.980 5.935 17.093 1.00 24.22 H new ATOM 0 HE3 LYS A 35 3.297 7.551 17.693 1.00 24.22 H new ATOM 0 HZ1 LYS A 35 2.815 6.044 19.497 1.00 22.35 H new ATOM 0 HZ2 LYS A 35 1.590 7.215 19.393 1.00 22.35 H new ATOM 0 HZ3 LYS A 35 1.310 5.642 18.819 1.00 22.35 H new ATOM 559 N THR A 36 -0.865 5.108 13.225 1.00 42.02 N ATOM 560 CA THR A 36 -1.626 5.912 12.253 1.00 42.25 C ATOM 561 C THR A 36 -2.784 5.087 11.634 1.00 64.14 C ATOM 562 O THR A 36 -3.884 5.594 11.444 1.00 73.21 O ATOM 563 CB THR A 36 -0.663 6.455 11.142 1.00 64.31 C ATOM 564 OG1 THR A 36 0.490 7.063 11.760 1.00 15.40 O ATOM 565 CG2 THR A 36 -1.348 7.485 10.221 1.00 1.31 C ATOM 0 H THR A 36 0.069 4.855 12.903 1.00 42.02 H new ATOM 0 HA THR A 36 -2.072 6.760 12.773 1.00 42.25 H new ATOM 0 HB THR A 36 -0.367 5.607 10.525 1.00 64.31 H new ATOM 0 HG1 THR A 36 1.079 6.364 12.112 1.00 15.40 H new ATOM 0 HG21 THR A 36 -0.638 7.830 9.469 1.00 1.31 H new ATOM 0 HG22 THR A 36 -2.202 7.021 9.728 1.00 1.31 H new ATOM 0 HG23 THR A 36 -1.689 8.334 10.814 1.00 1.31 H new ATOM 573 N TRP A 37 -2.505 3.797 11.395 1.00 45.31 N ATOM 574 CA TRP A 37 -3.433 2.828 10.791 1.00 35.45 C ATOM 575 C TRP A 37 -4.644 2.602 11.710 1.00 53.03 C ATOM 576 O TRP A 37 -5.789 2.730 11.277 1.00 62.43 O ATOM 577 CB TRP A 37 -2.676 1.493 10.519 1.00 21.34 C ATOM 578 CG TRP A 37 -3.494 0.450 9.788 1.00 64.22 C ATOM 579 CD1 TRP A 37 -4.211 -0.573 10.336 1.00 65.13 C ATOM 580 CD2 TRP A 37 -3.682 0.347 8.364 1.00 71.55 C ATOM 581 NE1 TRP A 37 -4.832 -1.296 9.346 1.00 11.43 N ATOM 582 CE2 TRP A 37 -4.511 -0.758 8.126 1.00 70.43 C ATOM 583 CE3 TRP A 37 -3.224 1.082 7.272 1.00 54.42 C ATOM 584 CZ2 TRP A 37 -4.893 -1.144 6.844 1.00 44.45 C ATOM 585 CZ3 TRP A 37 -3.602 0.701 5.998 1.00 13.31 C ATOM 586 CH2 TRP A 37 -4.428 -0.402 5.790 1.00 55.55 C ATOM 0 H TRP A 37 -1.600 3.386 11.624 1.00 45.31 H new ATOM 0 HA TRP A 37 -3.806 3.220 9.845 1.00 35.45 H new ATOM 0 HB2 TRP A 37 -1.780 1.709 9.936 1.00 21.34 H new ATOM 0 HB3 TRP A 37 -2.345 1.077 11.470 1.00 21.34 H new ATOM 0 HD1 TRP A 37 -4.280 -0.784 11.393 1.00 65.13 H new ATOM 0 HE1 TRP A 37 -5.436 -2.104 9.495 1.00 11.43 H new ATOM 0 HE3 TRP A 37 -2.582 1.938 7.419 1.00 54.42 H new ATOM 0 HZ2 TRP A 37 -5.534 -1.999 6.686 1.00 44.45 H new ATOM 0 HZ3 TRP A 37 -3.251 1.268 5.149 1.00 13.31 H new ATOM 0 HH2 TRP A 37 -4.706 -0.676 4.783 1.00 55.55 H new ATOM 597 N LEU A 38 -4.366 2.294 12.990 1.00 4.03 N ATOM 598 CA LEU A 38 -5.414 2.019 13.992 1.00 10.42 C ATOM 599 C LEU A 38 -6.120 3.318 14.431 1.00 72.01 C ATOM 600 O LEU A 38 -7.235 3.272 14.963 1.00 10.22 O ATOM 601 CB LEU A 38 -4.818 1.260 15.213 1.00 51.24 C ATOM 602 CG LEU A 38 -4.240 -0.173 14.921 1.00 2.22 C ATOM 603 CD1 LEU A 38 -3.684 -0.834 16.197 1.00 73.13 C ATOM 604 CD2 LEU A 38 -5.284 -1.085 14.251 1.00 53.24 C ATOM 0 H LEU A 38 -3.417 2.229 13.358 1.00 4.03 H new ATOM 0 HA LEU A 38 -6.166 1.379 13.530 1.00 10.42 H new ATOM 0 HB2 LEU A 38 -4.023 1.870 15.642 1.00 51.24 H new ATOM 0 HB3 LEU A 38 -5.594 1.169 15.973 1.00 51.24 H new ATOM 0 HG LEU A 38 -3.414 -0.040 14.223 1.00 2.22 H new ATOM 0 HD11 LEU A 38 -3.294 -1.822 15.954 1.00 73.13 H new ATOM 0 HD12 LEU A 38 -2.883 -0.218 16.606 1.00 73.13 H new ATOM 0 HD13 LEU A 38 -4.481 -0.930 16.934 1.00 73.13 H new ATOM 0 HD21 LEU A 38 -4.845 -2.066 14.066 1.00 53.24 H new ATOM 0 HD22 LEU A 38 -6.148 -1.192 14.907 1.00 53.24 H new ATOM 0 HD23 LEU A 38 -5.599 -0.644 13.305 1.00 53.24 H new ATOM 616 N SER A 39 -5.457 4.477 14.211 1.00 23.21 N ATOM 617 CA SER A 39 -6.043 5.809 14.483 1.00 4.23 C ATOM 618 C SER A 39 -6.872 6.332 13.283 1.00 30.03 C ATOM 619 O SER A 39 -7.646 7.279 13.438 1.00 45.52 O ATOM 620 CB SER A 39 -4.924 6.816 14.859 1.00 72.50 C ATOM 621 OG SER A 39 -5.445 8.055 15.318 1.00 54.31 O ATOM 0 H SER A 39 -4.507 4.515 13.842 1.00 23.21 H new ATOM 0 HA SER A 39 -6.728 5.707 15.325 1.00 4.23 H new ATOM 0 HB2 SER A 39 -4.292 6.381 15.633 1.00 72.50 H new ATOM 0 HB3 SER A 39 -4.289 6.991 13.991 1.00 72.50 H new ATOM 0 HG SER A 39 -6.314 8.221 14.896 1.00 54.31 H new ATOM 627 N LEU A 40 -6.708 5.715 12.094 1.00 71.42 N ATOM 628 CA LEU A 40 -7.450 6.091 10.861 1.00 34.33 C ATOM 629 C LEU A 40 -8.457 4.994 10.483 1.00 15.11 C ATOM 630 O LEU A 40 -8.359 3.860 10.952 1.00 44.32 O ATOM 631 CB LEU A 40 -6.462 6.340 9.680 1.00 12.22 C ATOM 632 CG LEU A 40 -5.709 7.698 9.673 1.00 32.13 C ATOM 633 CD1 LEU A 40 -4.673 7.744 8.531 1.00 51.14 C ATOM 634 CD2 LEU A 40 -6.713 8.849 9.538 1.00 2.10 C ATOM 0 H LEU A 40 -6.058 4.941 11.956 1.00 71.42 H new ATOM 0 HA LEU A 40 -7.995 7.014 11.060 1.00 34.33 H new ATOM 0 HB2 LEU A 40 -5.721 5.541 9.682 1.00 12.22 H new ATOM 0 HB3 LEU A 40 -7.019 6.255 8.747 1.00 12.22 H new ATOM 0 HG LEU A 40 -5.173 7.806 10.616 1.00 32.13 H new ATOM 0 HD11 LEU A 40 -4.158 8.704 8.546 1.00 51.14 H new ATOM 0 HD12 LEU A 40 -3.948 6.941 8.665 1.00 51.14 H new ATOM 0 HD13 LEU A 40 -5.180 7.619 7.574 1.00 51.14 H new ATOM 0 HD21 LEU A 40 -6.179 9.799 9.534 1.00 2.10 H new ATOM 0 HD22 LEU A 40 -7.268 8.740 8.606 1.00 2.10 H new ATOM 0 HD23 LEU A 40 -7.407 8.827 10.378 1.00 2.10 H new ATOM 646 N LYS A 41 -9.404 5.336 9.598 1.00 54.53 N ATOM 647 CA LYS A 41 -10.438 4.406 9.106 1.00 50.10 C ATOM 648 C LYS A 41 -10.178 4.078 7.631 1.00 21.15 C ATOM 649 O LYS A 41 -9.625 4.910 6.903 1.00 14.35 O ATOM 650 CB LYS A 41 -11.840 5.025 9.277 1.00 33.41 C ATOM 651 CG LYS A 41 -12.260 5.260 10.745 1.00 24.10 C ATOM 652 CD LYS A 41 -13.716 5.780 10.863 1.00 41.12 C ATOM 653 CE LYS A 41 -14.750 4.790 10.288 1.00 24.42 C ATOM 654 NZ LYS A 41 -16.146 5.319 10.341 1.00 52.55 N ATOM 0 H LYS A 41 -9.477 6.272 9.199 1.00 54.53 H new ATOM 0 HA LYS A 41 -10.395 3.486 9.688 1.00 50.10 H new ATOM 0 HB2 LYS A 41 -11.871 5.977 8.746 1.00 33.41 H new ATOM 0 HB3 LYS A 41 -12.572 4.372 8.803 1.00 33.41 H new ATOM 0 HG2 LYS A 41 -12.163 4.328 11.302 1.00 24.10 H new ATOM 0 HG3 LYS A 41 -11.581 5.979 11.204 1.00 24.10 H new ATOM 0 HD2 LYS A 41 -13.946 5.971 11.911 1.00 41.12 H new ATOM 0 HD3 LYS A 41 -13.801 6.732 10.340 1.00 41.12 H new ATOM 0 HE2 LYS A 41 -14.492 4.561 9.254 1.00 24.42 H new ATOM 0 HE3 LYS A 41 -14.699 3.854 10.844 1.00 24.42 H new ATOM 0 HZ1 LYS A 41 -16.799 4.615 9.943 1.00 52.55 H new ATOM 0 HZ2 LYS A 41 -16.406 5.513 11.329 1.00 52.55 H new ATOM 0 HZ3 LYS A 41 -16.205 6.198 9.788 1.00 52.55 H new ATOM 668 N VAL A 42 -10.598 2.866 7.211 1.00 61.25 N ATOM 669 CA VAL A 42 -10.363 2.334 5.853 1.00 42.40 C ATOM 670 C VAL A 42 -11.096 3.195 4.808 1.00 74.22 C ATOM 671 O VAL A 42 -12.320 3.326 4.862 1.00 51.24 O ATOM 672 CB VAL A 42 -10.844 0.832 5.744 1.00 54.42 C ATOM 673 CG1 VAL A 42 -10.612 0.247 4.329 1.00 51.53 C ATOM 674 CG2 VAL A 42 -10.157 -0.044 6.814 1.00 72.30 C ATOM 0 H VAL A 42 -11.115 2.223 7.811 1.00 61.25 H new ATOM 0 HA VAL A 42 -9.291 2.369 5.657 1.00 42.40 H new ATOM 0 HB VAL A 42 -11.919 0.826 5.925 1.00 54.42 H new ATOM 0 HG11 VAL A 42 -10.957 -0.786 4.301 1.00 51.53 H new ATOM 0 HG12 VAL A 42 -11.166 0.835 3.597 1.00 51.53 H new ATOM 0 HG13 VAL A 42 -9.549 0.281 4.091 1.00 51.53 H new ATOM 0 HG21 VAL A 42 -10.504 -1.073 6.719 1.00 72.30 H new ATOM 0 HG22 VAL A 42 -9.077 -0.011 6.673 1.00 72.30 H new ATOM 0 HG23 VAL A 42 -10.405 0.332 7.806 1.00 72.30 H new ATOM 684 N ALA A 43 -10.335 3.774 3.867 1.00 10.11 N ATOM 685 CA ALA A 43 -10.880 4.684 2.841 1.00 51.23 C ATOM 686 C ALA A 43 -11.404 3.878 1.650 1.00 74.32 C ATOM 687 O ALA A 43 -12.481 4.154 1.103 1.00 22.55 O ATOM 688 CB ALA A 43 -9.795 5.678 2.406 1.00 64.22 C ATOM 0 H ALA A 43 -9.328 3.627 3.793 1.00 10.11 H new ATOM 0 HA ALA A 43 -11.715 5.247 3.258 1.00 51.23 H new ATOM 0 HB1 ALA A 43 -10.199 6.349 1.648 1.00 64.22 H new ATOM 0 HB2 ALA A 43 -9.467 6.259 3.268 1.00 64.22 H new ATOM 0 HB3 ALA A 43 -8.947 5.133 1.992 1.00 64.22 H new ATOM 694 N HIS A 44 -10.606 2.891 1.248 1.00 31.43 N ATOM 695 CA HIS A 44 -10.951 1.937 0.190 1.00 35.32 C ATOM 696 C HIS A 44 -10.383 0.556 0.543 1.00 23.32 C ATOM 697 O HIS A 44 -9.317 0.462 1.149 1.00 42.31 O ATOM 698 CB HIS A 44 -10.365 2.438 -1.157 1.00 52.24 C ATOM 699 CG HIS A 44 -10.627 1.537 -2.340 1.00 13.44 C ATOM 700 ND1 HIS A 44 -11.818 1.573 -3.019 1.00 3.44 N ATOM 701 CD2 HIS A 44 -9.814 0.623 -2.935 1.00 73.35 C ATOM 702 CE1 HIS A 44 -11.707 0.699 -4.003 1.00 54.53 C ATOM 703 NE2 HIS A 44 -10.515 0.100 -3.989 1.00 44.14 N ATOM 0 H HIS A 44 -9.685 2.727 1.654 1.00 31.43 H new ATOM 0 HA HIS A 44 -12.034 1.856 0.098 1.00 35.32 H new ATOM 0 HB2 HIS A 44 -10.778 3.424 -1.372 1.00 52.24 H new ATOM 0 HB3 HIS A 44 -9.288 2.561 -1.044 1.00 52.24 H new ATOM 0 HD2 HIS A 44 -8.810 0.361 -2.635 1.00 73.35 H new ATOM 0 HE1 HIS A 44 -12.482 0.495 -4.727 1.00 54.53 H new ATOM 0 HE2 HIS A 44 -10.187 -0.613 -4.641 1.00 44.14 H new ATOM 711 N GLN A 45 -11.106 -0.510 0.156 1.00 70.20 N ATOM 712 CA GLN A 45 -10.616 -1.892 0.247 1.00 71.11 C ATOM 713 C GLN A 45 -11.259 -2.722 -0.871 1.00 42.42 C ATOM 714 O GLN A 45 -12.487 -2.748 -1.015 1.00 54.45 O ATOM 715 CB GLN A 45 -10.874 -2.519 1.648 1.00 24.21 C ATOM 716 CG GLN A 45 -10.335 -3.959 1.808 1.00 13.12 C ATOM 717 CD GLN A 45 -10.414 -4.476 3.245 1.00 35.25 C ATOM 718 OE1 GLN A 45 -9.462 -4.338 4.022 1.00 23.42 O ATOM 719 NE2 GLN A 45 -11.558 -5.038 3.622 1.00 13.33 N ATOM 0 H GLN A 45 -12.048 -0.435 -0.229 1.00 70.20 H new ATOM 0 HA GLN A 45 -9.534 -1.888 0.118 1.00 71.11 H new ATOM 0 HB2 GLN A 45 -10.415 -1.885 2.407 1.00 24.21 H new ATOM 0 HB3 GLN A 45 -11.947 -2.521 1.840 1.00 24.21 H new ATOM 0 HG2 GLN A 45 -10.900 -4.626 1.157 1.00 13.12 H new ATOM 0 HG3 GLN A 45 -9.298 -3.991 1.474 1.00 13.12 H new ATOM 0 HE21 GLN A 45 -12.323 -5.136 2.954 1.00 13.33 H new ATOM 0 HE22 GLN A 45 -11.671 -5.372 4.579 1.00 13.33 H new ATOM 728 N GLN A 46 -10.405 -3.382 -1.656 1.00 51.23 N ATOM 729 CA GLN A 46 -10.788 -4.154 -2.848 1.00 63.22 C ATOM 730 C GLN A 46 -10.152 -5.552 -2.774 1.00 33.44 C ATOM 731 O GLN A 46 -9.093 -5.730 -2.167 1.00 10.41 O ATOM 732 CB GLN A 46 -10.312 -3.400 -4.127 1.00 24.00 C ATOM 733 CG GLN A 46 -8.793 -3.124 -4.162 1.00 55.12 C ATOM 734 CD GLN A 46 -8.309 -2.337 -5.383 1.00 15.24 C ATOM 735 OE1 GLN A 46 -9.035 -1.523 -5.946 1.00 44.53 O ATOM 736 NE2 GLN A 46 -7.067 -2.561 -5.794 1.00 35.13 N ATOM 0 H GLN A 46 -9.401 -3.397 -1.479 1.00 51.23 H new ATOM 0 HA GLN A 46 -11.872 -4.264 -2.890 1.00 63.22 H new ATOM 0 HB2 GLN A 46 -10.585 -3.986 -5.005 1.00 24.00 H new ATOM 0 HB3 GLN A 46 -10.845 -2.452 -4.198 1.00 24.00 H new ATOM 0 HG2 GLN A 46 -8.517 -2.575 -3.261 1.00 55.12 H new ATOM 0 HG3 GLN A 46 -8.264 -4.077 -4.129 1.00 55.12 H new ATOM 0 HE21 GLN A 46 -6.484 -3.243 -5.308 1.00 35.13 H new ATOM 0 HE22 GLN A 46 -6.695 -2.051 -6.595 1.00 35.13 H new ATOM 745 N VAL A 47 -10.821 -6.544 -3.367 1.00 71.21 N ATOM 746 CA VAL A 47 -10.284 -7.906 -3.515 1.00 73.24 C ATOM 747 C VAL A 47 -10.055 -8.176 -5.006 1.00 55.32 C ATOM 748 O VAL A 47 -10.996 -8.106 -5.804 1.00 72.02 O ATOM 749 CB VAL A 47 -11.251 -8.995 -2.911 1.00 33.13 C ATOM 750 CG1 VAL A 47 -10.658 -10.415 -3.064 1.00 51.31 C ATOM 751 CG2 VAL A 47 -11.588 -8.693 -1.432 1.00 13.10 C ATOM 0 H VAL A 47 -11.755 -6.428 -3.761 1.00 71.21 H new ATOM 0 HA VAL A 47 -9.347 -7.972 -2.962 1.00 73.24 H new ATOM 0 HB VAL A 47 -12.181 -8.956 -3.477 1.00 33.13 H new ATOM 0 HG11 VAL A 47 -11.347 -11.145 -2.638 1.00 51.31 H new ATOM 0 HG12 VAL A 47 -10.505 -10.634 -4.121 1.00 51.31 H new ATOM 0 HG13 VAL A 47 -9.703 -10.469 -2.541 1.00 51.31 H new ATOM 0 HG21 VAL A 47 -12.256 -9.463 -1.047 1.00 13.10 H new ATOM 0 HG22 VAL A 47 -10.670 -8.682 -0.845 1.00 13.10 H new ATOM 0 HG23 VAL A 47 -12.076 -7.721 -1.361 1.00 13.10 H new ATOM 761 N LEU A 48 -8.804 -8.465 -5.374 1.00 42.03 N ATOM 762 CA LEU A 48 -8.399 -8.700 -6.765 1.00 43.04 C ATOM 763 C LEU A 48 -7.998 -10.182 -6.942 1.00 22.44 C ATOM 764 O LEU A 48 -7.202 -10.701 -6.145 1.00 53.33 O ATOM 765 CB LEU A 48 -7.234 -7.748 -7.154 1.00 50.04 C ATOM 766 CG LEU A 48 -7.563 -6.219 -7.127 1.00 4.22 C ATOM 767 CD1 LEU A 48 -6.335 -5.389 -7.533 1.00 12.15 C ATOM 768 CD2 LEU A 48 -8.779 -5.883 -8.021 1.00 32.01 C ATOM 0 H LEU A 48 -8.035 -8.544 -4.709 1.00 42.03 H new ATOM 0 HA LEU A 48 -9.236 -8.487 -7.430 1.00 43.04 H new ATOM 0 HB2 LEU A 48 -6.399 -7.932 -6.478 1.00 50.04 H new ATOM 0 HB3 LEU A 48 -6.896 -8.010 -8.157 1.00 50.04 H new ATOM 0 HG LEU A 48 -7.829 -5.957 -6.103 1.00 4.22 H new ATOM 0 HD11 LEU A 48 -6.588 -4.329 -7.507 1.00 12.15 H new ATOM 0 HD12 LEU A 48 -5.518 -5.585 -6.839 1.00 12.15 H new ATOM 0 HD13 LEU A 48 -6.027 -5.664 -8.542 1.00 12.15 H new ATOM 0 HD21 LEU A 48 -8.978 -4.812 -7.977 1.00 32.01 H new ATOM 0 HD22 LEU A 48 -8.564 -6.170 -9.050 1.00 32.01 H new ATOM 0 HD23 LEU A 48 -9.653 -6.429 -7.667 1.00 32.01 H new ATOM 780 N PRO A 49 -8.576 -10.897 -7.966 1.00 55.13 N ATOM 781 CA PRO A 49 -8.251 -12.319 -8.239 1.00 40.10 C ATOM 782 C PRO A 49 -6.768 -12.527 -8.641 1.00 63.20 C ATOM 783 O PRO A 49 -6.373 -12.258 -9.781 1.00 71.42 O ATOM 784 CB PRO A 49 -9.232 -12.707 -9.383 1.00 73.53 C ATOM 785 CG PRO A 49 -9.634 -11.406 -10.017 1.00 43.13 C ATOM 786 CD PRO A 49 -9.606 -10.375 -8.913 1.00 35.25 C ATOM 0 HA PRO A 49 -8.368 -12.946 -7.355 1.00 40.10 H new ATOM 0 HB2 PRO A 49 -8.752 -13.366 -10.107 1.00 73.53 H new ATOM 0 HB3 PRO A 49 -10.100 -13.240 -8.994 1.00 73.53 H new ATOM 0 HG2 PRO A 49 -8.948 -11.136 -10.820 1.00 43.13 H new ATOM 0 HG3 PRO A 49 -10.628 -11.478 -10.458 1.00 43.13 H new ATOM 0 HD2 PRO A 49 -9.338 -9.389 -9.293 1.00 35.25 H new ATOM 0 HD3 PRO A 49 -10.579 -10.277 -8.432 1.00 35.25 H new ATOM 794 N TRP A 50 -5.939 -12.957 -7.673 1.00 62.22 N ATOM 795 CA TRP A 50 -4.511 -13.204 -7.915 1.00 42.22 C ATOM 796 C TRP A 50 -4.269 -14.664 -8.350 1.00 23.30 C ATOM 797 O TRP A 50 -4.308 -15.579 -7.530 1.00 44.22 O ATOM 798 CB TRP A 50 -3.677 -12.881 -6.644 1.00 35.24 C ATOM 799 CG TRP A 50 -2.173 -13.032 -6.855 1.00 61.21 C ATOM 800 CD1 TRP A 50 -1.414 -14.180 -6.752 1.00 63.22 C ATOM 801 CD2 TRP A 50 -1.255 -11.990 -7.210 1.00 52.22 C ATOM 802 NE1 TRP A 50 -0.102 -13.908 -7.055 1.00 15.23 N ATOM 803 CE2 TRP A 50 0.025 -12.572 -7.328 1.00 22.02 C ATOM 804 CE3 TRP A 50 -1.394 -10.618 -7.445 1.00 72.35 C ATOM 805 CZ2 TRP A 50 1.146 -11.827 -7.673 1.00 43.10 C ATOM 806 CZ3 TRP A 50 -0.277 -9.884 -7.781 1.00 53.44 C ATOM 807 CH2 TRP A 50 0.977 -10.486 -7.889 1.00 0.45 C ATOM 0 H TRP A 50 -6.237 -13.140 -6.715 1.00 62.22 H new ATOM 0 HA TRP A 50 -4.190 -12.546 -8.723 1.00 42.22 H new ATOM 0 HB2 TRP A 50 -3.892 -11.861 -6.326 1.00 35.24 H new ATOM 0 HB3 TRP A 50 -3.991 -13.540 -5.834 1.00 35.24 H new ATOM 0 HD1 TRP A 50 -1.796 -15.151 -6.474 1.00 63.22 H new ATOM 0 HE1 TRP A 50 0.655 -14.591 -7.074 1.00 15.23 H new ATOM 0 HE3 TRP A 50 -2.360 -10.142 -7.364 1.00 72.35 H new ATOM 0 HZ2 TRP A 50 2.117 -12.290 -7.767 1.00 43.10 H new ATOM 0 HZ3 TRP A 50 -0.374 -8.824 -7.964 1.00 53.44 H new ATOM 0 HH2 TRP A 50 1.833 -9.881 -8.149 1.00 0.45 H new ATOM 864 N PHE A 54 3.976 -14.832 -6.847 1.00 40.35 N ATOM 865 CA PHE A 54 4.203 -13.527 -6.225 1.00 44.54 C ATOM 866 C PHE A 54 5.711 -13.245 -6.078 1.00 10.15 C ATOM 867 O PHE A 54 6.504 -14.140 -5.777 1.00 55.30 O ATOM 868 CB PHE A 54 3.474 -13.431 -4.858 1.00 72.23 C ATOM 869 CG PHE A 54 3.561 -12.041 -4.248 1.00 72.32 C ATOM 870 CD1 PHE A 54 2.787 -11.002 -4.752 1.00 62.52 C ATOM 871 CD2 PHE A 54 4.452 -11.761 -3.225 1.00 75.21 C ATOM 872 CE1 PHE A 54 2.897 -9.726 -4.253 1.00 31.20 C ATOM 873 CE2 PHE A 54 4.567 -10.488 -2.735 1.00 32.32 C ATOM 874 CZ PHE A 54 3.791 -9.471 -3.248 1.00 52.13 C ATOM 0 HA PHE A 54 3.784 -12.761 -6.877 1.00 44.54 H new ATOM 0 HB2 PHE A 54 2.426 -13.702 -4.989 1.00 72.23 H new ATOM 0 HB3 PHE A 54 3.907 -14.155 -4.168 1.00 72.23 H new ATOM 0 HD1 PHE A 54 2.087 -11.201 -5.550 1.00 62.52 H new ATOM 0 HD2 PHE A 54 5.060 -12.552 -2.811 1.00 75.21 H new ATOM 0 HE1 PHE A 54 2.283 -8.931 -4.650 1.00 31.20 H new ATOM 0 HE2 PHE A 54 5.270 -10.279 -1.942 1.00 32.32 H new ATOM 0 HZ PHE A 54 3.889 -8.469 -2.856 1.00 52.13 H new ATOM 884 N HIS A 55 6.082 -11.977 -6.290 1.00 13.33 N ATOM 885 CA HIS A 55 7.469 -11.504 -6.251 1.00 10.21 C ATOM 886 C HIS A 55 7.572 -10.280 -5.311 1.00 45.50 C ATOM 887 O HIS A 55 7.298 -9.149 -5.738 1.00 62.42 O ATOM 888 CB HIS A 55 7.945 -11.144 -7.682 1.00 64.14 C ATOM 889 CG HIS A 55 7.928 -12.292 -8.661 1.00 62.14 C ATOM 890 ND1 HIS A 55 8.888 -13.276 -8.673 1.00 30.11 N ATOM 891 CD2 HIS A 55 7.061 -12.611 -9.655 1.00 1.11 C ATOM 892 CE1 HIS A 55 8.614 -14.146 -9.622 1.00 25.24 C ATOM 893 NE2 HIS A 55 7.516 -13.767 -10.229 1.00 15.35 N ATOM 0 H HIS A 55 5.412 -11.237 -6.498 1.00 13.33 H new ATOM 0 HA HIS A 55 8.114 -12.294 -5.866 1.00 10.21 H new ATOM 0 HB2 HIS A 55 7.313 -10.345 -8.070 1.00 64.14 H new ATOM 0 HB3 HIS A 55 8.959 -10.749 -7.624 1.00 64.14 H new ATOM 0 HD2 HIS A 55 6.179 -12.057 -9.939 1.00 1.11 H new ATOM 0 HE1 HIS A 55 9.196 -15.024 -9.860 1.00 25.24 H new ATOM 0 HE2 HIS A 55 7.071 -14.256 -11.006 1.00 15.35 H new ATOM 902 N PRO A 56 7.923 -10.491 -4.002 1.00 2.23 N ATOM 903 CA PRO A 56 8.007 -9.388 -3.011 1.00 42.32 C ATOM 904 C PRO A 56 9.185 -8.426 -3.264 1.00 14.42 C ATOM 905 O PRO A 56 9.089 -7.229 -2.968 1.00 4.44 O ATOM 906 CB PRO A 56 8.130 -10.142 -1.663 1.00 51.23 C ATOM 907 CG PRO A 56 8.746 -11.466 -2.002 1.00 4.34 C ATOM 908 CD PRO A 56 8.219 -11.819 -3.378 1.00 34.12 C ATOM 0 HA PRO A 56 7.144 -8.724 -3.053 1.00 42.32 H new ATOM 0 HB2 PRO A 56 8.751 -9.589 -0.959 1.00 51.23 H new ATOM 0 HB3 PRO A 56 7.154 -10.271 -1.195 1.00 51.23 H new ATOM 0 HG2 PRO A 56 9.834 -11.403 -2.003 1.00 4.34 H new ATOM 0 HG3 PRO A 56 8.471 -12.225 -1.270 1.00 4.34 H new ATOM 0 HD2 PRO A 56 8.955 -12.377 -3.957 1.00 34.12 H new ATOM 0 HD3 PRO A 56 7.325 -12.440 -3.316 1.00 34.12 H new ATOM 916 N ASP A 57 10.293 -8.972 -3.804 1.00 51.42 N ATOM 917 CA ASP A 57 11.474 -8.177 -4.211 1.00 61.43 C ATOM 918 C ASP A 57 11.120 -7.218 -5.354 1.00 2.25 C ATOM 919 O ASP A 57 11.459 -6.032 -5.306 1.00 63.13 O ATOM 920 CB ASP A 57 12.645 -9.088 -4.660 1.00 31.10 C ATOM 921 CG ASP A 57 13.062 -10.114 -3.603 1.00 62.20 C ATOM 922 OD1 ASP A 57 13.881 -9.784 -2.716 1.00 64.31 O ATOM 923 OD2 ASP A 57 12.562 -11.257 -3.648 1.00 21.54 O ATOM 0 H ASP A 57 10.397 -9.973 -3.971 1.00 51.42 H new ATOM 0 HA ASP A 57 11.787 -7.604 -3.338 1.00 61.43 H new ATOM 0 HB2 ASP A 57 12.357 -9.613 -5.571 1.00 31.10 H new ATOM 0 HB3 ASP A 57 13.504 -8.465 -4.909 1.00 31.10 H new ATOM 928 N THR A 58 10.409 -7.756 -6.368 1.00 11.25 N ATOM 929 CA THR A 58 9.997 -6.996 -7.557 1.00 73.33 C ATOM 930 C THR A 58 8.963 -5.924 -7.160 1.00 24.10 C ATOM 931 O THR A 58 8.948 -4.821 -7.729 1.00 4.25 O ATOM 932 CB THR A 58 9.407 -7.937 -8.662 1.00 3.14 C ATOM 933 OG1 THR A 58 10.265 -9.081 -8.869 1.00 10.11 O ATOM 934 CG2 THR A 58 9.214 -7.204 -10.002 1.00 33.22 C ATOM 0 H THR A 58 10.107 -8.730 -6.381 1.00 11.25 H new ATOM 0 HA THR A 58 10.880 -6.510 -7.973 1.00 73.33 H new ATOM 0 HB THR A 58 8.431 -8.266 -8.306 1.00 3.14 H new ATOM 0 HG1 THR A 58 9.880 -9.658 -9.561 1.00 10.11 H new ATOM 0 HG21 THR A 58 8.803 -7.894 -10.739 1.00 33.22 H new ATOM 0 HG22 THR A 58 8.527 -6.369 -9.864 1.00 33.22 H new ATOM 0 HG23 THR A 58 10.175 -6.829 -10.353 1.00 33.22 H new ATOM 942 N LEU A 59 8.123 -6.272 -6.146 1.00 12.11 N ATOM 943 CA LEU A 59 7.136 -5.353 -5.584 1.00 41.44 C ATOM 944 C LEU A 59 7.850 -4.127 -5.001 1.00 71.11 C ATOM 945 O LEU A 59 7.590 -3.019 -5.447 1.00 20.25 O ATOM 946 CB LEU A 59 6.255 -6.041 -4.505 1.00 22.42 C ATOM 947 CG LEU A 59 5.123 -5.148 -3.904 1.00 54.53 C ATOM 948 CD1 LEU A 59 4.100 -4.720 -4.976 1.00 52.40 C ATOM 949 CD2 LEU A 59 4.424 -5.851 -2.735 1.00 44.32 C ATOM 0 H LEU A 59 8.123 -7.194 -5.709 1.00 12.11 H new ATOM 0 HA LEU A 59 6.469 -5.036 -6.386 1.00 41.44 H new ATOM 0 HB2 LEU A 59 5.801 -6.930 -4.942 1.00 22.42 H new ATOM 0 HB3 LEU A 59 6.900 -6.378 -3.693 1.00 22.42 H new ATOM 0 HG LEU A 59 5.597 -4.243 -3.523 1.00 54.53 H new ATOM 0 HD11 LEU A 59 3.330 -4.101 -4.517 1.00 52.40 H new ATOM 0 HD12 LEU A 59 4.606 -4.151 -5.756 1.00 52.40 H new ATOM 0 HD13 LEU A 59 3.640 -5.606 -5.414 1.00 52.40 H new ATOM 0 HD21 LEU A 59 3.641 -5.205 -2.337 1.00 44.32 H new ATOM 0 HD22 LEU A 59 3.982 -6.784 -3.084 1.00 44.32 H new ATOM 0 HD23 LEU A 59 5.151 -6.064 -1.951 1.00 44.32 H new ATOM 961 N GLN A 60 8.830 -4.362 -4.089 1.00 11.25 N ATOM 962 CA GLN A 60 9.564 -3.277 -3.398 1.00 74.51 C ATOM 963 C GLN A 60 10.323 -2.383 -4.392 1.00 14.40 C ATOM 964 O GLN A 60 10.306 -1.157 -4.265 1.00 72.32 O ATOM 965 CB GLN A 60 10.544 -3.832 -2.331 1.00 33.45 C ATOM 966 CG GLN A 60 9.869 -4.518 -1.136 1.00 60.31 C ATOM 967 CD GLN A 60 10.860 -4.846 -0.018 1.00 72.35 C ATOM 968 OE1 GLN A 60 11.470 -5.910 -0.005 1.00 2.43 O ATOM 969 NE2 GLN A 60 11.056 -3.922 0.910 1.00 44.31 N ATOM 0 H GLN A 60 9.128 -5.299 -3.817 1.00 11.25 H new ATOM 0 HA GLN A 60 8.813 -2.671 -2.891 1.00 74.51 H new ATOM 0 HB2 GLN A 60 11.216 -4.545 -2.810 1.00 33.45 H new ATOM 0 HB3 GLN A 60 11.160 -3.012 -1.962 1.00 33.45 H new ATOM 0 HG2 GLN A 60 9.084 -3.871 -0.744 1.00 60.31 H new ATOM 0 HG3 GLN A 60 9.387 -5.436 -1.472 1.00 60.31 H new ATOM 0 HE21 GLN A 60 10.535 -3.046 0.875 1.00 44.31 H new ATOM 0 HE22 GLN A 60 11.728 -4.086 1.660 1.00 44.31 H new ATOM 978 N MET A 61 10.975 -3.007 -5.390 1.00 60.52 N ATOM 979 CA MET A 61 11.741 -2.280 -6.422 1.00 24.03 C ATOM 980 C MET A 61 10.836 -1.334 -7.238 1.00 0.15 C ATOM 981 O MET A 61 11.228 -0.198 -7.524 1.00 40.12 O ATOM 982 CB MET A 61 12.506 -3.268 -7.348 1.00 72.42 C ATOM 983 CG MET A 61 13.659 -4.006 -6.659 1.00 34.33 C ATOM 984 SD MET A 61 14.672 -4.961 -7.816 1.00 42.33 S ATOM 985 CE MET A 61 13.524 -6.217 -8.391 1.00 72.02 C ATOM 0 H MET A 61 10.987 -4.020 -5.505 1.00 60.52 H new ATOM 0 HA MET A 61 12.479 -1.662 -5.911 1.00 24.03 H new ATOM 0 HB2 MET A 61 11.801 -4.002 -7.739 1.00 72.42 H new ATOM 0 HB3 MET A 61 12.900 -2.717 -8.202 1.00 72.42 H new ATOM 0 HG2 MET A 61 14.290 -3.283 -6.142 1.00 34.33 H new ATOM 0 HG3 MET A 61 13.254 -4.675 -5.900 1.00 34.33 H new ATOM 0 HE1 MET A 61 14.052 -6.930 -9.024 1.00 72.02 H new ATOM 0 HE2 MET A 61 13.097 -6.739 -7.535 1.00 72.02 H new ATOM 0 HE3 MET A 61 12.726 -5.745 -8.964 1.00 72.02 H new ATOM 995 N ALA A 62 9.616 -1.798 -7.563 1.00 20.15 N ATOM 996 CA ALA A 62 8.625 -0.996 -8.300 1.00 22.22 C ATOM 997 C ALA A 62 8.052 0.116 -7.396 1.00 23.44 C ATOM 998 O ALA A 62 7.807 1.233 -7.864 1.00 24.24 O ATOM 999 CB ALA A 62 7.506 -1.896 -8.844 1.00 53.21 C ATOM 0 H ALA A 62 9.291 -2.735 -7.323 1.00 20.15 H new ATOM 0 HA ALA A 62 9.119 -0.521 -9.147 1.00 22.22 H new ATOM 0 HB1 ALA A 62 6.782 -1.288 -9.386 1.00 53.21 H new ATOM 0 HB2 ALA A 62 7.932 -2.640 -9.517 1.00 53.21 H new ATOM 0 HB3 ALA A 62 7.009 -2.400 -8.015 1.00 53.21 H new ATOM 1005 N LEU A 63 7.886 -0.202 -6.087 1.00 53.32 N ATOM 1006 CA LEU A 63 7.340 0.738 -5.090 1.00 44.22 C ATOM 1007 C LEU A 63 8.216 1.998 -4.988 1.00 14.25 C ATOM 1008 O LEU A 63 7.704 3.105 -5.043 1.00 74.03 O ATOM 1009 CB LEU A 63 7.185 0.059 -3.698 1.00 75.52 C ATOM 1010 CG LEU A 63 6.113 -1.067 -3.607 1.00 13.30 C ATOM 1011 CD1 LEU A 63 6.127 -1.729 -2.224 1.00 52.42 C ATOM 1012 CD2 LEU A 63 4.704 -0.557 -3.957 1.00 54.42 C ATOM 0 H LEU A 63 8.127 -1.114 -5.700 1.00 53.32 H new ATOM 0 HA LEU A 63 6.348 1.038 -5.426 1.00 44.22 H new ATOM 0 HB2 LEU A 63 8.149 -0.360 -3.410 1.00 75.52 H new ATOM 0 HB3 LEU A 63 6.940 0.828 -2.965 1.00 75.52 H new ATOM 0 HG LEU A 63 6.376 -1.819 -4.351 1.00 13.30 H new ATOM 0 HD11 LEU A 63 5.369 -2.511 -2.187 1.00 52.42 H new ATOM 0 HD12 LEU A 63 7.109 -2.166 -2.040 1.00 52.42 H new ATOM 0 HD13 LEU A 63 5.913 -0.981 -1.460 1.00 52.42 H new ATOM 0 HD21 LEU A 63 3.990 -1.377 -3.880 1.00 54.42 H new ATOM 0 HD22 LEU A 63 4.422 0.236 -3.264 1.00 54.42 H new ATOM 0 HD23 LEU A 63 4.700 -0.168 -4.975 1.00 54.42 H new ATOM 1024 N GLN A 64 9.544 1.801 -4.879 1.00 13.43 N ATOM 1025 CA GLN A 64 10.535 2.908 -4.834 1.00 73.13 C ATOM 1026 C GLN A 64 10.397 3.850 -6.051 1.00 11.54 C ATOM 1027 O GLN A 64 10.507 5.076 -5.901 1.00 44.42 O ATOM 1028 CB GLN A 64 11.996 2.345 -4.712 1.00 61.25 C ATOM 1029 CG GLN A 64 12.587 2.387 -3.279 1.00 1.32 C ATOM 1030 CD GLN A 64 11.748 1.668 -2.214 1.00 70.04 C ATOM 1031 OE1 GLN A 64 11.063 0.693 -2.488 1.00 51.12 O ATOM 1032 NE2 GLN A 64 11.810 2.141 -0.979 1.00 13.14 N ATOM 0 H GLN A 64 9.965 0.874 -4.819 1.00 13.43 H new ATOM 0 HA GLN A 64 10.325 3.501 -3.944 1.00 73.13 H new ATOM 0 HB2 GLN A 64 12.004 1.313 -5.064 1.00 61.25 H new ATOM 0 HB3 GLN A 64 12.647 2.914 -5.376 1.00 61.25 H new ATOM 0 HG2 GLN A 64 13.582 1.942 -3.299 1.00 1.32 H new ATOM 0 HG3 GLN A 64 12.709 3.429 -2.982 1.00 1.32 H new ATOM 0 HE21 GLN A 64 12.388 2.956 -0.773 1.00 13.14 H new ATOM 0 HE22 GLN A 64 11.280 1.691 -0.233 1.00 13.14 H new ATOM 1041 N VAL A 65 10.107 3.277 -7.235 1.00 73.15 N ATOM 1042 CA VAL A 65 9.956 4.045 -8.492 1.00 13.22 C ATOM 1043 C VAL A 65 8.736 4.991 -8.415 1.00 40.40 C ATOM 1044 O VAL A 65 8.760 6.104 -8.957 1.00 51.11 O ATOM 1045 CB VAL A 65 9.820 3.067 -9.726 1.00 63.42 C ATOM 1046 CG1 VAL A 65 9.637 3.815 -11.065 1.00 74.20 C ATOM 1047 CG2 VAL A 65 11.032 2.117 -9.798 1.00 71.42 C ATOM 0 H VAL A 65 9.971 2.273 -7.350 1.00 73.15 H new ATOM 0 HA VAL A 65 10.850 4.653 -8.628 1.00 13.22 H new ATOM 0 HB VAL A 65 8.914 2.482 -9.566 1.00 63.42 H new ATOM 0 HG11 VAL A 65 9.549 3.092 -11.876 1.00 74.20 H new ATOM 0 HG12 VAL A 65 8.734 4.423 -11.021 1.00 74.20 H new ATOM 0 HG13 VAL A 65 10.499 4.458 -11.243 1.00 74.20 H new ATOM 0 HG21 VAL A 65 10.922 1.451 -10.654 1.00 71.42 H new ATOM 0 HG22 VAL A 65 11.946 2.701 -9.908 1.00 71.42 H new ATOM 0 HG23 VAL A 65 11.087 1.527 -8.883 1.00 71.42 H new ATOM 1057 N VAL A 66 7.693 4.548 -7.696 1.00 21.21 N ATOM 1058 CA VAL A 66 6.446 5.318 -7.512 1.00 20.21 C ATOM 1059 C VAL A 66 6.350 5.929 -6.086 1.00 24.33 C ATOM 1060 O VAL A 66 5.260 6.326 -5.657 1.00 12.23 O ATOM 1061 CB VAL A 66 5.186 4.431 -7.847 1.00 12.52 C ATOM 1062 CG1 VAL A 66 5.147 4.084 -9.349 1.00 34.22 C ATOM 1063 CG2 VAL A 66 5.150 3.139 -7.003 1.00 61.21 C ATOM 0 H VAL A 66 7.687 3.644 -7.223 1.00 21.21 H new ATOM 0 HA VAL A 66 6.466 6.152 -8.213 1.00 20.21 H new ATOM 0 HB VAL A 66 4.303 5.019 -7.594 1.00 12.52 H new ATOM 0 HG11 VAL A 66 4.270 3.472 -9.558 1.00 34.22 H new ATOM 0 HG12 VAL A 66 5.096 5.003 -9.933 1.00 34.22 H new ATOM 0 HG13 VAL A 66 6.047 3.532 -9.618 1.00 34.22 H new ATOM 0 HG21 VAL A 66 4.266 2.558 -7.265 1.00 61.21 H new ATOM 0 HG22 VAL A 66 6.045 2.549 -7.202 1.00 61.21 H new ATOM 0 HG23 VAL A 66 5.114 3.397 -5.945 1.00 61.21 H new ATOM 1073 N ASN A 67 7.514 6.010 -5.379 1.00 72.52 N ATOM 1074 CA ASN A 67 7.669 6.763 -4.091 1.00 70.44 C ATOM 1075 C ASN A 67 6.873 6.124 -2.933 1.00 25.11 C ATOM 1076 O ASN A 67 6.478 6.813 -1.986 1.00 4.45 O ATOM 1077 CB ASN A 67 7.271 8.274 -4.257 1.00 32.23 C ATOM 1078 CG ASN A 67 8.245 9.069 -5.119 1.00 63.31 C ATOM 1079 OD1 ASN A 67 9.124 9.760 -4.606 1.00 4.53 O ATOM 1080 ND2 ASN A 67 8.123 8.957 -6.428 1.00 12.32 N ATOM 0 H ASN A 67 8.375 5.555 -5.684 1.00 72.52 H new ATOM 0 HA ASN A 67 8.726 6.708 -3.831 1.00 70.44 H new ATOM 0 HB2 ASN A 67 6.276 8.333 -4.699 1.00 32.23 H new ATOM 0 HB3 ASN A 67 7.210 8.736 -3.272 1.00 32.23 H new ATOM 0 HD21 ASN A 67 8.768 9.451 -7.044 1.00 12.32 H new ATOM 0 HD22 ASN A 67 7.384 8.376 -6.823 1.00 12.32 H new ATOM 1087 N ILE A 68 6.669 4.804 -2.993 1.00 1.40 N ATOM 1088 CA ILE A 68 5.980 4.044 -1.941 1.00 34.20 C ATOM 1089 C ILE A 68 7.040 3.309 -1.098 1.00 54.42 C ATOM 1090 O ILE A 68 7.930 2.645 -1.644 1.00 53.42 O ATOM 1091 CB ILE A 68 4.957 2.996 -2.531 1.00 54.44 C ATOM 1092 CG1 ILE A 68 4.023 3.636 -3.609 1.00 32.02 C ATOM 1093 CG2 ILE A 68 4.126 2.336 -1.402 1.00 54.20 C ATOM 1094 CD1 ILE A 68 3.182 4.801 -3.139 1.00 3.12 C ATOM 0 H ILE A 68 6.978 4.228 -3.776 1.00 1.40 H new ATOM 0 HA ILE A 68 5.409 4.744 -1.332 1.00 34.20 H new ATOM 0 HB ILE A 68 5.540 2.219 -3.026 1.00 54.44 H new ATOM 0 HG12 ILE A 68 4.638 3.970 -4.445 1.00 32.02 H new ATOM 0 HG13 ILE A 68 3.358 2.862 -3.992 1.00 32.02 H new ATOM 0 HG21 ILE A 68 3.429 1.618 -1.835 1.00 54.20 H new ATOM 0 HG22 ILE A 68 4.794 1.821 -0.712 1.00 54.20 H new ATOM 0 HG23 ILE A 68 3.569 3.103 -0.864 1.00 54.20 H new ATOM 0 HD11 ILE A 68 2.573 5.167 -3.966 1.00 3.12 H new ATOM 0 HD12 ILE A 68 2.532 4.476 -2.326 1.00 3.12 H new ATOM 0 HD13 ILE A 68 3.833 5.601 -2.786 1.00 3.12 H new ATOM 1106 N GLN A 69 6.950 3.471 0.216 1.00 74.04 N ATOM 1107 CA GLN A 69 7.821 2.809 1.189 1.00 3.13 C ATOM 1108 C GLN A 69 7.223 1.452 1.572 1.00 72.32 C ATOM 1109 O GLN A 69 6.003 1.324 1.650 1.00 22.43 O ATOM 1110 CB GLN A 69 7.923 3.699 2.454 1.00 70.14 C ATOM 1111 CG GLN A 69 8.940 3.211 3.499 1.00 12.41 C ATOM 1112 CD GLN A 69 8.846 3.943 4.836 1.00 50.13 C ATOM 1113 OE1 GLN A 69 8.416 5.093 4.905 1.00 63.33 O ATOM 1114 NE2 GLN A 69 9.262 3.290 5.908 1.00 40.10 N ATOM 0 H GLN A 69 6.255 4.079 0.648 1.00 74.04 H new ATOM 0 HA GLN A 69 8.810 2.658 0.757 1.00 3.13 H new ATOM 0 HB2 GLN A 69 8.191 4.711 2.150 1.00 70.14 H new ATOM 0 HB3 GLN A 69 6.940 3.757 2.922 1.00 70.14 H new ATOM 0 HG2 GLN A 69 8.791 2.144 3.668 1.00 12.41 H new ATOM 0 HG3 GLN A 69 9.946 3.333 3.098 1.00 12.41 H new ATOM 0 HE21 GLN A 69 9.614 2.337 5.820 1.00 40.10 H new ATOM 0 HE22 GLN A 69 9.231 3.740 6.823 1.00 40.10 H new ATOM 1123 N THR A 70 8.075 0.447 1.802 1.00 64.43 N ATOM 1124 CA THR A 70 7.663 -0.786 2.471 1.00 51.04 C ATOM 1125 C THR A 70 8.041 -0.661 3.947 1.00 15.31 C ATOM 1126 O THR A 70 9.228 -0.584 4.288 1.00 11.14 O ATOM 1127 CB THR A 70 8.325 -2.053 1.848 1.00 2.55 C ATOM 1128 OG1 THR A 70 8.053 -2.096 0.442 1.00 30.11 O ATOM 1129 CG2 THR A 70 7.817 -3.352 2.497 1.00 21.22 C ATOM 0 H THR A 70 9.058 0.467 1.532 1.00 64.43 H new ATOM 0 HA THR A 70 6.587 -0.913 2.349 1.00 51.04 H new ATOM 0 HB THR A 70 9.397 -1.983 2.030 1.00 2.55 H new ATOM 0 HG1 THR A 70 7.483 -2.868 0.242 1.00 30.11 H new ATOM 0 HG21 THR A 70 8.306 -4.207 2.031 1.00 21.22 H new ATOM 0 HG22 THR A 70 8.046 -3.340 3.563 1.00 21.22 H new ATOM 0 HG23 THR A 70 6.739 -3.431 2.358 1.00 21.22 H new ATOM 1137 N ILE A 71 7.022 -0.590 4.799 1.00 54.12 N ATOM 1138 CA ILE A 71 7.173 -0.521 6.257 1.00 5.03 C ATOM 1139 C ILE A 71 7.522 -1.921 6.769 1.00 73.12 C ATOM 1140 O ILE A 71 8.573 -2.144 7.374 1.00 54.34 O ATOM 1141 CB ILE A 71 5.838 -0.039 6.938 1.00 42.22 C ATOM 1142 CG1 ILE A 71 5.303 1.254 6.260 1.00 1.05 C ATOM 1143 CG2 ILE A 71 6.014 0.151 8.465 1.00 40.24 C ATOM 1144 CD1 ILE A 71 6.192 2.452 6.412 1.00 14.43 C ATOM 0 H ILE A 71 6.049 -0.578 4.494 1.00 54.12 H new ATOM 0 HA ILE A 71 7.960 0.192 6.504 1.00 5.03 H new ATOM 0 HB ILE A 71 5.092 -0.821 6.796 1.00 42.22 H new ATOM 0 HG12 ILE A 71 5.158 1.058 5.198 1.00 1.05 H new ATOM 0 HG13 ILE A 71 4.324 1.489 6.677 1.00 1.05 H new ATOM 0 HG21 ILE A 71 5.072 0.484 8.901 1.00 40.24 H new ATOM 0 HG22 ILE A 71 6.309 -0.796 8.918 1.00 40.24 H new ATOM 0 HG23 ILE A 71 6.785 0.898 8.652 1.00 40.24 H new ATOM 0 HD11 ILE A 71 5.740 3.307 5.908 1.00 14.43 H new ATOM 0 HD12 ILE A 71 6.318 2.680 7.471 1.00 14.43 H new ATOM 0 HD13 ILE A 71 7.165 2.242 5.968 1.00 14.43 H new ATOM 1156 N ALA A 72 6.623 -2.868 6.472 1.00 2.52 N ATOM 1157 CA ALA A 72 6.777 -4.280 6.832 1.00 51.35 C ATOM 1158 C ALA A 72 6.348 -5.146 5.650 1.00 2.21 C ATOM 1159 O ALA A 72 5.597 -4.691 4.786 1.00 13.23 O ATOM 1160 CB ALA A 72 5.939 -4.605 8.077 1.00 54.13 C ATOM 0 H ALA A 72 5.758 -2.671 5.969 1.00 2.52 H new ATOM 0 HA ALA A 72 7.821 -4.487 7.066 1.00 51.35 H new ATOM 0 HB1 ALA A 72 6.062 -5.657 8.334 1.00 54.13 H new ATOM 0 HB2 ALA A 72 6.271 -3.986 8.911 1.00 54.13 H new ATOM 0 HB3 ALA A 72 4.888 -4.402 7.871 1.00 54.13 H new ATOM 1166 N MET A 73 6.852 -6.379 5.603 1.00 2.35 N ATOM 1167 CA MET A 73 6.481 -7.368 4.584 1.00 63.31 C ATOM 1168 C MET A 73 6.757 -8.771 5.122 1.00 30.11 C ATOM 1169 O MET A 73 7.841 -9.027 5.666 1.00 52.54 O ATOM 1170 CB MET A 73 7.258 -7.114 3.258 1.00 32.13 C ATOM 1171 CG MET A 73 6.928 -8.094 2.116 1.00 14.22 C ATOM 1172 SD MET A 73 7.642 -7.617 0.526 1.00 4.10 S ATOM 1173 CE MET A 73 6.736 -6.114 0.163 1.00 25.10 C ATOM 0 H MET A 73 7.536 -6.725 6.276 1.00 2.35 H new ATOM 0 HA MET A 73 5.418 -7.275 4.361 1.00 63.31 H new ATOM 0 HB2 MET A 73 7.048 -6.100 2.919 1.00 32.13 H new ATOM 0 HB3 MET A 73 8.327 -7.166 3.464 1.00 32.13 H new ATOM 0 HG2 MET A 73 7.290 -9.087 2.384 1.00 14.22 H new ATOM 0 HG3 MET A 73 5.845 -8.166 2.012 1.00 14.22 H new ATOM 0 HE1 MET A 73 7.008 -5.756 -0.830 1.00 25.10 H new ATOM 0 HE2 MET A 73 5.666 -6.318 0.195 1.00 25.10 H new ATOM 0 HE3 MET A 73 6.983 -5.353 0.903 1.00 25.10 H new ATOM 1183 N SER A 74 5.759 -9.659 4.989 1.00 23.25 N ATOM 1184 CA SER A 74 5.876 -11.069 5.347 1.00 74.21 C ATOM 1185 C SER A 74 6.893 -11.763 4.422 1.00 12.45 C ATOM 1186 O SER A 74 7.054 -11.380 3.252 1.00 22.54 O ATOM 1187 CB SER A 74 4.495 -11.760 5.264 1.00 12.34 C ATOM 1188 OG SER A 74 3.535 -11.113 6.093 1.00 61.41 O ATOM 0 H SER A 74 4.840 -9.408 4.625 1.00 23.25 H new ATOM 0 HA SER A 74 6.233 -11.147 6.374 1.00 74.21 H new ATOM 0 HB2 SER A 74 4.147 -11.756 4.231 1.00 12.34 H new ATOM 0 HB3 SER A 74 4.591 -12.804 5.564 1.00 12.34 H new ATOM 0 HG SER A 74 2.792 -11.726 6.272 1.00 61.41 H new ATOM 1194 N ARG A 75 7.542 -12.790 4.962 1.00 24.23 N ATOM 1195 CA ARG A 75 8.662 -13.478 4.312 1.00 14.20 C ATOM 1196 C ARG A 75 8.171 -14.321 3.121 1.00 21.54 C ATOM 1197 O ARG A 75 7.011 -14.767 3.091 1.00 14.43 O ATOM 1198 CB ARG A 75 9.380 -14.350 5.375 1.00 21.03 C ATOM 1199 CG ARG A 75 9.894 -13.528 6.583 1.00 15.24 C ATOM 1200 CD ARG A 75 10.401 -14.392 7.751 1.00 10.23 C ATOM 1201 NE ARG A 75 10.840 -13.553 8.886 1.00 4.21 N ATOM 1202 CZ ARG A 75 10.041 -13.059 9.855 1.00 10.03 C ATOM 1203 NH1 ARG A 75 8.736 -13.305 9.869 1.00 1.10 N ATOM 1204 NH2 ARG A 75 10.562 -12.295 10.805 1.00 40.03 N ATOM 0 H ARG A 75 7.305 -13.176 5.876 1.00 24.23 H new ATOM 0 HA ARG A 75 9.366 -12.750 3.909 1.00 14.20 H new ATOM 0 HB2 ARG A 75 8.694 -15.118 5.731 1.00 21.03 H new ATOM 0 HB3 ARG A 75 10.220 -14.864 4.908 1.00 21.03 H new ATOM 0 HG2 ARG A 75 10.700 -12.875 6.250 1.00 15.24 H new ATOM 0 HG3 ARG A 75 9.090 -12.885 6.941 1.00 15.24 H new ATOM 0 HD2 ARG A 75 9.609 -15.066 8.078 1.00 10.23 H new ATOM 0 HD3 ARG A 75 11.230 -15.014 7.413 1.00 10.23 H new ATOM 0 HE ARG A 75 11.833 -13.328 8.942 1.00 4.21 H new ATOM 0 HH11 ARG A 75 8.317 -13.878 9.137 1.00 1.10 H new ATOM 0 HH12 ARG A 75 8.152 -12.921 10.612 1.00 1.10 H new ATOM 0 HH21 ARG A 75 11.560 -12.084 10.800 1.00 40.03 H new ATOM 0 HH22 ARG A 75 9.965 -11.918 11.541 1.00 40.03 H new ATOM 1218 N ALA A 76 9.053 -14.497 2.128 1.00 14.11 N ATOM 1219 CA ALA A 76 8.760 -15.301 0.935 1.00 32.03 C ATOM 1220 C ALA A 76 8.522 -16.768 1.337 1.00 65.21 C ATOM 1221 O ALA A 76 9.391 -17.388 1.963 1.00 20.20 O ATOM 1222 CB ALA A 76 9.911 -15.195 -0.081 1.00 11.12 C ATOM 0 H ALA A 76 9.987 -14.087 2.129 1.00 14.11 H new ATOM 0 HA ALA A 76 7.855 -14.917 0.463 1.00 32.03 H new ATOM 0 HB1 ALA A 76 9.678 -15.797 -0.959 1.00 11.12 H new ATOM 0 HB2 ALA A 76 10.039 -14.154 -0.378 1.00 11.12 H new ATOM 0 HB3 ALA A 76 10.832 -15.559 0.374 1.00 11.12 H new ATOM 1228 N GLY A 77 7.345 -17.302 0.975 1.00 64.34 N ATOM 1229 CA GLY A 77 6.947 -18.669 1.322 1.00 43.32 C ATOM 1230 C GLY A 77 5.926 -18.743 2.457 1.00 64.13 C ATOM 1231 O GLY A 77 5.202 -19.744 2.563 1.00 31.51 O ATOM 0 H GLY A 77 6.645 -16.795 0.433 1.00 64.34 H new ATOM 0 HA2 GLY A 77 6.530 -19.152 0.438 1.00 43.32 H new ATOM 0 HA3 GLY A 77 7.834 -19.235 1.606 1.00 43.32 H new ATOM 1235 N SER A 78 5.842 -17.694 3.306 1.00 61.32 N ATOM 1236 CA SER A 78 4.886 -17.675 4.437 1.00 24.44 C ATOM 1237 C SER A 78 3.538 -17.061 4.001 1.00 71.43 C ATOM 1238 O SER A 78 3.480 -15.897 3.570 1.00 11.33 O ATOM 1239 CB SER A 78 5.483 -16.904 5.646 1.00 55.51 C ATOM 1240 OG SER A 78 5.748 -15.542 5.346 1.00 12.25 O ATOM 0 H SER A 78 6.419 -16.856 3.231 1.00 61.32 H new ATOM 0 HA SER A 78 4.703 -18.703 4.749 1.00 24.44 H new ATOM 0 HB2 SER A 78 4.790 -16.959 6.486 1.00 55.51 H new ATOM 0 HB3 SER A 78 6.406 -17.389 5.962 1.00 55.51 H new ATOM 0 HG SER A 78 6.373 -15.488 4.593 1.00 12.25 H new ATOM 1246 N ARG A 79 2.457 -17.865 4.089 1.00 0.12 N ATOM 1247 CA ARG A 79 1.073 -17.406 3.832 1.00 35.42 C ATOM 1248 C ARG A 79 0.212 -17.623 5.110 1.00 14.31 C ATOM 1249 O ARG A 79 0.469 -18.579 5.842 1.00 15.33 O ATOM 1250 CB ARG A 79 0.426 -18.109 2.593 1.00 61.24 C ATOM 1251 CG ARG A 79 1.024 -17.723 1.211 1.00 50.51 C ATOM 1252 CD ARG A 79 2.368 -18.409 0.898 1.00 41.40 C ATOM 1253 NE ARG A 79 2.986 -17.918 -0.345 1.00 34.11 N ATOM 1254 CZ ARG A 79 3.980 -18.536 -0.995 1.00 52.20 C ATOM 1255 NH1 ARG A 79 4.493 -19.684 -0.552 1.00 2.52 N ATOM 1256 NH2 ARG A 79 4.483 -17.994 -2.085 1.00 55.53 N ATOM 0 H ARG A 79 2.518 -18.852 4.340 1.00 0.12 H new ATOM 0 HA ARG A 79 1.111 -16.343 3.592 1.00 35.42 H new ATOM 0 HB2 ARG A 79 0.519 -19.187 2.720 1.00 61.24 H new ATOM 0 HB3 ARG A 79 -0.640 -17.880 2.584 1.00 61.24 H new ATOM 0 HG2 ARG A 79 0.306 -17.979 0.431 1.00 50.51 H new ATOM 0 HG3 ARG A 79 1.162 -16.642 1.175 1.00 50.51 H new ATOM 0 HD2 ARG A 79 3.055 -18.246 1.728 1.00 41.40 H new ATOM 0 HD3 ARG A 79 2.212 -19.485 0.820 1.00 41.40 H new ATOM 0 HE ARG A 79 2.632 -17.046 -0.738 1.00 34.11 H new ATOM 0 HH11 ARG A 79 4.128 -20.111 0.300 1.00 2.52 H new ATOM 0 HH12 ARG A 79 5.250 -20.136 -1.065 1.00 2.52 H new ATOM 0 HH21 ARG A 79 4.115 -17.107 -2.430 1.00 55.53 H new ATOM 0 HH22 ARG A 79 5.240 -18.461 -2.584 1.00 55.53 H new ATOM 1270 N PRO A 80 -0.827 -16.758 5.422 1.00 11.31 N ATOM 1271 CA PRO A 80 -1.278 -15.618 4.579 1.00 13.14 C ATOM 1272 C PRO A 80 -0.259 -14.459 4.555 1.00 52.50 C ATOM 1273 O PRO A 80 0.042 -13.856 5.596 1.00 44.31 O ATOM 1274 CB PRO A 80 -2.614 -15.189 5.244 1.00 73.40 C ATOM 1275 CG PRO A 80 -2.477 -15.593 6.679 1.00 74.43 C ATOM 1276 CD PRO A 80 -1.641 -16.857 6.671 1.00 45.21 C ATOM 0 HA PRO A 80 -1.388 -15.897 3.531 1.00 13.14 H new ATOM 0 HB2 PRO A 80 -2.775 -14.115 5.150 1.00 73.40 H new ATOM 0 HB3 PRO A 80 -3.465 -15.682 4.774 1.00 73.40 H new ATOM 0 HG2 PRO A 80 -1.995 -14.808 7.262 1.00 74.43 H new ATOM 0 HG3 PRO A 80 -3.453 -15.772 7.130 1.00 74.43 H new ATOM 0 HD2 PRO A 80 -1.006 -16.919 7.555 1.00 45.21 H new ATOM 0 HD3 PRO A 80 -2.269 -17.748 6.666 1.00 45.21 H new ATOM 1284 N TRP A 81 0.286 -14.203 3.357 1.00 0.54 N ATOM 1285 CA TRP A 81 1.259 -13.134 3.132 1.00 42.23 C ATOM 1286 C TRP A 81 0.575 -11.774 3.352 1.00 34.23 C ATOM 1287 O TRP A 81 -0.600 -11.622 3.026 1.00 54.24 O ATOM 1288 CB TRP A 81 1.850 -13.241 1.690 1.00 14.34 C ATOM 1289 CG TRP A 81 2.868 -12.154 1.376 1.00 51.53 C ATOM 1290 CD1 TRP A 81 4.217 -12.180 1.620 1.00 43.14 C ATOM 1291 CD2 TRP A 81 2.601 -10.867 0.786 1.00 22.32 C ATOM 1292 NE1 TRP A 81 4.792 -10.986 1.249 1.00 2.32 N ATOM 1293 CE2 TRP A 81 3.821 -10.168 0.729 1.00 10.12 C ATOM 1294 CE3 TRP A 81 1.445 -10.238 0.311 1.00 21.42 C ATOM 1295 CZ2 TRP A 81 3.912 -8.877 0.219 1.00 52.33 C ATOM 1296 CZ3 TRP A 81 1.537 -8.963 -0.196 1.00 22.31 C ATOM 1297 CH2 TRP A 81 2.763 -8.292 -0.239 1.00 12.30 C ATOM 0 H TRP A 81 0.061 -14.736 2.517 1.00 0.54 H new ATOM 0 HA TRP A 81 2.084 -13.230 3.838 1.00 42.23 H new ATOM 0 HB2 TRP A 81 2.321 -14.217 1.569 1.00 14.34 H new ATOM 0 HB3 TRP A 81 1.037 -13.188 0.966 1.00 14.34 H new ATOM 0 HD1 TRP A 81 4.752 -13.018 2.043 1.00 43.14 H new ATOM 0 HE1 TRP A 81 5.779 -10.748 1.345 1.00 2.32 H new ATOM 0 HE3 TRP A 81 0.493 -10.747 0.342 1.00 21.42 H new ATOM 0 HZ2 TRP A 81 4.857 -8.355 0.186 1.00 52.33 H new ATOM 0 HZ3 TRP A 81 0.649 -8.473 -0.567 1.00 22.31 H new ATOM 0 HH2 TRP A 81 2.804 -7.291 -0.642 1.00 12.30 H new ATOM 1308 N LYS A 82 1.284 -10.820 3.963 1.00 60.34 N ATOM 1309 CA LYS A 82 0.805 -9.434 4.055 1.00 11.12 C ATOM 1310 C LYS A 82 1.979 -8.439 3.994 1.00 53.41 C ATOM 1311 O LYS A 82 3.130 -8.829 4.144 1.00 22.20 O ATOM 1312 CB LYS A 82 -0.041 -9.272 5.346 1.00 3.10 C ATOM 1313 CG LYS A 82 -0.984 -8.061 5.322 1.00 51.13 C ATOM 1314 CD LYS A 82 -1.901 -7.995 6.557 1.00 42.35 C ATOM 1315 CE LYS A 82 -1.138 -7.777 7.865 1.00 22.22 C ATOM 1316 NZ LYS A 82 -2.059 -7.386 8.964 1.00 62.20 N ATOM 0 H LYS A 82 2.191 -10.980 4.401 1.00 60.34 H new ATOM 0 HA LYS A 82 0.168 -9.208 3.200 1.00 11.12 H new ATOM 0 HB2 LYS A 82 -0.630 -10.176 5.499 1.00 3.10 H new ATOM 0 HB3 LYS A 82 0.630 -9.181 6.200 1.00 3.10 H new ATOM 0 HG2 LYS A 82 -0.393 -7.147 5.265 1.00 51.13 H new ATOM 0 HG3 LYS A 82 -1.597 -8.101 4.422 1.00 51.13 H new ATOM 0 HD2 LYS A 82 -2.620 -7.187 6.425 1.00 42.35 H new ATOM 0 HD3 LYS A 82 -2.472 -8.921 6.627 1.00 42.35 H new ATOM 0 HE2 LYS A 82 -0.609 -8.690 8.137 1.00 22.22 H new ATOM 0 HE3 LYS A 82 -0.384 -7.002 7.725 1.00 22.22 H new ATOM 0 HZ1 LYS A 82 -1.520 -6.909 9.715 1.00 62.20 H new ATOM 0 HZ2 LYS A 82 -2.785 -6.739 8.595 1.00 62.20 H new ATOM 0 HZ3 LYS A 82 -2.517 -8.235 9.352 1.00 62.20 H new ATOM 1330 N ALA A 83 1.672 -7.152 3.759 1.00 14.31 N ATOM 1331 CA ALA A 83 2.668 -6.077 3.705 1.00 65.43 C ATOM 1332 C ALA A 83 2.034 -4.757 4.141 1.00 63.32 C ATOM 1333 O ALA A 83 0.861 -4.505 3.880 1.00 22.41 O ATOM 1334 CB ALA A 83 3.263 -5.934 2.299 1.00 52.54 C ATOM 0 H ALA A 83 0.717 -6.830 3.600 1.00 14.31 H new ATOM 0 HA ALA A 83 3.478 -6.334 4.387 1.00 65.43 H new ATOM 0 HB1 ALA A 83 3.997 -5.128 2.295 1.00 52.54 H new ATOM 0 HB2 ALA A 83 3.747 -6.868 2.012 1.00 52.54 H new ATOM 0 HB3 ALA A 83 2.468 -5.704 1.589 1.00 52.54 H new ATOM 1340 N TYR A 84 2.844 -3.938 4.806 1.00 22.11 N ATOM 1341 CA TYR A 84 2.492 -2.580 5.214 1.00 63.53 C ATOM 1342 C TYR A 84 3.321 -1.590 4.392 1.00 2.42 C ATOM 1343 O TYR A 84 4.538 -1.721 4.339 1.00 43.32 O ATOM 1344 CB TYR A 84 2.765 -2.399 6.728 1.00 25.41 C ATOM 1345 CG TYR A 84 1.883 -3.260 7.645 1.00 22.21 C ATOM 1346 CD1 TYR A 84 0.520 -3.432 7.387 1.00 33.42 C ATOM 1347 CD2 TYR A 84 2.407 -3.866 8.784 1.00 21.21 C ATOM 1348 CE1 TYR A 84 -0.279 -4.170 8.229 1.00 71.22 C ATOM 1349 CE2 TYR A 84 1.610 -4.614 9.628 1.00 51.43 C ATOM 1350 CZ TYR A 84 0.274 -4.764 9.353 1.00 24.50 C ATOM 1351 OH TYR A 84 -0.520 -5.505 10.206 1.00 20.12 O ATOM 0 H TYR A 84 3.788 -4.207 5.084 1.00 22.11 H new ATOM 0 HA TYR A 84 1.432 -2.397 5.036 1.00 63.53 H new ATOM 0 HB2 TYR A 84 3.811 -2.635 6.926 1.00 25.41 H new ATOM 0 HB3 TYR A 84 2.620 -1.350 6.987 1.00 25.41 H new ATOM 0 HD1 TYR A 84 0.086 -2.976 6.509 1.00 33.42 H new ATOM 0 HD2 TYR A 84 3.456 -3.749 9.012 1.00 21.21 H new ATOM 0 HE1 TYR A 84 -1.331 -4.286 8.016 1.00 71.22 H new ATOM 0 HE2 TYR A 84 2.038 -5.080 10.503 1.00 51.43 H new ATOM 0 HH TYR A 84 0.026 -5.852 10.942 1.00 20.12 H new ATOM 1361 N LEU A 85 2.646 -0.637 3.735 1.00 42.21 N ATOM 1362 CA LEU A 85 3.271 0.359 2.835 1.00 52.33 C ATOM 1363 C LEU A 85 2.848 1.780 3.264 1.00 21.24 C ATOM 1364 O LEU A 85 1.758 1.951 3.789 1.00 42.24 O ATOM 1365 CB LEU A 85 2.820 0.114 1.362 1.00 52.12 C ATOM 1366 CG LEU A 85 2.952 -1.335 0.797 1.00 3.33 C ATOM 1367 CD1 LEU A 85 2.477 -1.394 -0.669 1.00 72.52 C ATOM 1368 CD2 LEU A 85 4.386 -1.876 0.933 1.00 61.02 C ATOM 0 H LEU A 85 1.635 -0.529 3.811 1.00 42.21 H new ATOM 0 HA LEU A 85 4.354 0.259 2.899 1.00 52.33 H new ATOM 0 HB2 LEU A 85 1.776 0.414 1.276 1.00 52.12 H new ATOM 0 HB3 LEU A 85 3.397 0.779 0.719 1.00 52.12 H new ATOM 0 HG LEU A 85 2.307 -1.979 1.395 1.00 3.33 H new ATOM 0 HD11 LEU A 85 2.577 -2.413 -1.043 1.00 72.52 H new ATOM 0 HD12 LEU A 85 1.432 -1.088 -0.726 1.00 72.52 H new ATOM 0 HD13 LEU A 85 3.085 -0.723 -1.276 1.00 72.52 H new ATOM 0 HD21 LEU A 85 4.434 -2.887 0.528 1.00 61.02 H new ATOM 0 HD22 LEU A 85 5.072 -1.232 0.383 1.00 61.02 H new ATOM 0 HD23 LEU A 85 4.670 -1.893 1.985 1.00 61.02 H new ATOM 1380 N SER A 86 3.687 2.800 3.003 1.00 72.40 N ATOM 1381 CA SER A 86 3.329 4.212 3.311 1.00 61.00 C ATOM 1382 C SER A 86 3.902 5.185 2.273 1.00 44.22 C ATOM 1383 O SER A 86 4.932 4.923 1.662 1.00 62.41 O ATOM 1384 CB SER A 86 3.764 4.629 4.737 1.00 15.15 C ATOM 1385 OG SER A 86 3.058 3.914 5.735 1.00 52.45 O ATOM 0 H SER A 86 4.610 2.683 2.584 1.00 72.40 H new ATOM 0 HA SER A 86 2.241 4.266 3.265 1.00 61.00 H new ATOM 0 HB2 SER A 86 4.834 4.457 4.855 1.00 15.15 H new ATOM 0 HB3 SER A 86 3.597 5.698 4.869 1.00 15.15 H new ATOM 0 HG SER A 86 2.442 4.520 6.198 1.00 52.45 H new ATOM 1391 N ALA A 87 3.204 6.316 2.104 1.00 73.10 N ATOM 1392 CA ALA A 87 3.534 7.360 1.124 1.00 33.22 C ATOM 1393 C ALA A 87 2.915 8.688 1.567 1.00 35.40 C ATOM 1394 O ALA A 87 2.188 8.732 2.558 1.00 34.24 O ATOM 1395 CB ALA A 87 3.028 6.972 -0.271 1.00 13.52 C ATOM 0 H ALA A 87 2.376 6.536 2.657 1.00 73.10 H new ATOM 0 HA ALA A 87 4.617 7.468 1.071 1.00 33.22 H new ATOM 0 HB1 ALA A 87 3.282 7.758 -0.982 1.00 13.52 H new ATOM 0 HB2 ALA A 87 3.496 6.037 -0.581 1.00 13.52 H new ATOM 0 HB3 ALA A 87 1.946 6.844 -0.243 1.00 13.52 H new ATOM 1401 N GLN A 88 3.237 9.778 0.858 1.00 10.34 N ATOM 1402 CA GLN A 88 2.607 11.089 1.087 1.00 55.33 C ATOM 1403 C GLN A 88 2.293 11.732 -0.263 1.00 72.24 C ATOM 1404 O GLN A 88 3.114 11.666 -1.180 1.00 13.22 O ATOM 1405 CB GLN A 88 3.546 11.994 1.920 1.00 23.24 C ATOM 1406 CG GLN A 88 2.914 13.320 2.367 1.00 53.05 C ATOM 1407 CD GLN A 88 3.875 14.196 3.171 1.00 73.22 C ATOM 1408 OE1 GLN A 88 3.978 14.073 4.392 1.00 40.13 O ATOM 1409 NE2 GLN A 88 4.572 15.097 2.501 1.00 61.33 N ATOM 0 H GLN A 88 3.936 9.779 0.115 1.00 10.34 H new ATOM 0 HA GLN A 88 1.681 10.960 1.647 1.00 55.33 H new ATOM 0 HB2 GLN A 88 3.872 11.444 2.803 1.00 23.24 H new ATOM 0 HB3 GLN A 88 4.438 12.210 1.332 1.00 23.24 H new ATOM 0 HG2 GLN A 88 2.577 13.870 1.489 1.00 53.05 H new ATOM 0 HG3 GLN A 88 2.030 13.111 2.970 1.00 53.05 H new ATOM 0 HE21 GLN A 88 4.465 15.175 1.490 1.00 61.33 H new ATOM 0 HE22 GLN A 88 5.217 15.714 2.995 1.00 61.33 H new ATOM 1418 N ASP A 89 1.093 12.326 -0.397 1.00 21.13 N ATOM 1419 CA ASP A 89 0.703 13.055 -1.617 1.00 43.03 C ATOM 1420 C ASP A 89 1.183 14.519 -1.579 1.00 12.53 C ATOM 1421 O ASP A 89 1.788 14.976 -0.591 1.00 2.33 O ATOM 1422 CB ASP A 89 -0.841 12.971 -1.856 1.00 73.34 C ATOM 1423 CG ASP A 89 -1.741 13.661 -0.810 1.00 25.13 C ATOM 1424 OD1 ASP A 89 -1.252 14.414 0.050 1.00 73.22 O ATOM 1425 OD2 ASP A 89 -2.975 13.463 -0.853 1.00 61.45 O ATOM 0 H ASP A 89 0.375 12.315 0.327 1.00 21.13 H new ATOM 0 HA ASP A 89 1.198 12.571 -2.459 1.00 43.03 H new ATOM 0 HB2 ASP A 89 -1.059 13.405 -2.832 1.00 73.34 H new ATOM 0 HB3 ASP A 89 -1.121 11.919 -1.905 1.00 73.34 H new ATOM 1430 N ASP A 90 0.870 15.237 -2.662 1.00 44.24 N ATOM 1431 CA ASP A 90 1.178 16.664 -2.827 1.00 32.12 C ATOM 1432 C ASP A 90 0.531 17.544 -1.739 1.00 55.24 C ATOM 1433 O ASP A 90 1.104 18.568 -1.346 1.00 3.25 O ATOM 1434 CB ASP A 90 0.706 17.133 -4.220 1.00 23.12 C ATOM 1435 CG ASP A 90 -0.803 16.936 -4.455 1.00 23.22 C ATOM 1436 OD1 ASP A 90 -1.216 15.816 -4.834 1.00 13.52 O ATOM 1437 OD2 ASP A 90 -1.587 17.892 -4.234 1.00 35.42 O ATOM 0 H ASP A 90 0.386 14.836 -3.465 1.00 44.24 H new ATOM 0 HA ASP A 90 2.258 16.776 -2.730 1.00 32.12 H new ATOM 0 HB2 ASP A 90 0.950 18.188 -4.341 1.00 23.12 H new ATOM 0 HB3 ASP A 90 1.259 16.588 -4.985 1.00 23.12 H new ATOM 1442 N THR A 91 -0.633 17.124 -1.219 1.00 51.31 N ATOM 1443 CA THR A 91 -1.388 17.910 -0.232 1.00 34.11 C ATOM 1444 C THR A 91 -0.919 17.618 1.207 1.00 12.51 C ATOM 1445 O THR A 91 -1.417 18.242 2.152 1.00 73.52 O ATOM 1446 CB THR A 91 -2.942 17.694 -0.384 1.00 34.14 C ATOM 1447 OG1 THR A 91 -3.212 16.390 -0.896 1.00 42.03 O ATOM 1448 CG2 THR A 91 -3.614 18.738 -1.299 1.00 35.15 C ATOM 0 H THR A 91 -1.074 16.238 -1.468 1.00 51.31 H new ATOM 0 HA THR A 91 -1.183 18.961 -0.435 1.00 34.11 H new ATOM 0 HB THR A 91 -3.363 17.811 0.615 1.00 34.14 H new ATOM 0 HG1 THR A 91 -4.138 16.143 -0.691 1.00 42.03 H new ATOM 0 HG21 THR A 91 -4.683 18.533 -1.361 1.00 35.15 H new ATOM 0 HG22 THR A 91 -3.459 19.736 -0.888 1.00 35.15 H new ATOM 0 HG23 THR A 91 -3.176 18.684 -2.295 1.00 35.15 H new ATOM 1456 N GLY A 92 0.049 16.696 1.381 1.00 0.14 N ATOM 1457 CA GLY A 92 0.613 16.414 2.703 1.00 61.14 C ATOM 1458 C GLY A 92 -0.066 15.262 3.432 1.00 22.22 C ATOM 1459 O GLY A 92 0.375 14.892 4.521 1.00 12.45 O ATOM 0 H GLY A 92 0.450 16.141 0.625 1.00 0.14 H new ATOM 0 HA2 GLY A 92 1.673 16.187 2.594 1.00 61.14 H new ATOM 0 HA3 GLY A 92 0.541 17.312 3.317 1.00 61.14 H new ATOM 1463 N CYS A 93 -1.148 14.722 2.843 1.00 3.41 N ATOM 1464 CA CYS A 93 -1.882 13.566 3.374 1.00 3.33 C ATOM 1465 C CYS A 93 -1.016 12.300 3.336 1.00 3.43 C ATOM 1466 O CYS A 93 -0.354 12.017 2.333 1.00 52.02 O ATOM 1467 CB CYS A 93 -3.179 13.329 2.577 1.00 40.53 C ATOM 1468 SG CYS A 93 -3.969 11.736 2.904 1.00 25.02 S ATOM 0 H CYS A 93 -1.540 15.083 1.973 1.00 3.41 H new ATOM 0 HA CYS A 93 -2.137 13.786 4.411 1.00 3.33 H new ATOM 0 HB2 CYS A 93 -3.885 14.126 2.808 1.00 40.53 H new ATOM 0 HB3 CYS A 93 -2.956 13.400 1.512 1.00 40.53 H new ATOM 0 HG CYS A 93 -5.125 11.695 2.311 1.00 25.02 H new ATOM 1474 N LEU A 94 -1.048 11.543 4.445 1.00 52.45 N ATOM 1475 CA LEU A 94 -0.265 10.316 4.615 1.00 22.23 C ATOM 1476 C LEU A 94 -1.116 9.114 4.143 1.00 30.22 C ATOM 1477 O LEU A 94 -2.185 8.868 4.690 1.00 35.22 O ATOM 1478 CB LEU A 94 0.161 10.170 6.119 1.00 54.54 C ATOM 1479 CG LEU A 94 1.449 9.311 6.421 1.00 43.14 C ATOM 1480 CD1 LEU A 94 1.270 7.814 6.109 1.00 70.13 C ATOM 1481 CD2 LEU A 94 2.673 9.883 5.683 1.00 71.44 C ATOM 0 H LEU A 94 -1.625 11.771 5.255 1.00 52.45 H new ATOM 0 HA LEU A 94 0.644 10.353 4.015 1.00 22.23 H new ATOM 0 HB2 LEU A 94 0.318 11.169 6.525 1.00 54.54 H new ATOM 0 HB3 LEU A 94 -0.674 9.732 6.666 1.00 54.54 H new ATOM 0 HG LEU A 94 1.618 9.380 7.496 1.00 43.14 H new ATOM 0 HD11 LEU A 94 2.193 7.281 6.339 1.00 70.13 H new ATOM 0 HD12 LEU A 94 0.458 7.411 6.714 1.00 70.13 H new ATOM 0 HD13 LEU A 94 1.032 7.688 5.053 1.00 70.13 H new ATOM 0 HD21 LEU A 94 3.549 9.275 5.906 1.00 71.44 H new ATOM 0 HD22 LEU A 94 2.488 9.873 4.609 1.00 71.44 H new ATOM 0 HD23 LEU A 94 2.849 10.907 6.011 1.00 71.44 H new ATOM 1493 N PHE A 95 -0.602 8.368 3.160 1.00 34.22 N ATOM 1494 CA PHE A 95 -1.246 7.172 2.598 1.00 24.41 C ATOM 1495 C PHE A 95 -0.618 5.924 3.214 1.00 53.02 C ATOM 1496 O PHE A 95 0.599 5.785 3.231 1.00 22.14 O ATOM 1497 CB PHE A 95 -1.087 7.153 1.052 1.00 33.34 C ATOM 1498 CG PHE A 95 -2.066 8.070 0.332 1.00 4.41 C ATOM 1499 CD1 PHE A 95 -1.960 9.455 0.433 1.00 51.12 C ATOM 1500 CD2 PHE A 95 -3.118 7.542 -0.419 1.00 64.43 C ATOM 1501 CE1 PHE A 95 -2.867 10.273 -0.197 1.00 33.40 C ATOM 1502 CE2 PHE A 95 -4.025 8.366 -1.047 1.00 74.51 C ATOM 1503 CZ PHE A 95 -3.898 9.730 -0.935 1.00 72.11 C ATOM 0 H PHE A 95 0.294 8.582 2.722 1.00 34.22 H new ATOM 0 HA PHE A 95 -2.311 7.190 2.832 1.00 24.41 H new ATOM 0 HB2 PHE A 95 -0.069 7.447 0.795 1.00 33.34 H new ATOM 0 HB3 PHE A 95 -1.224 6.133 0.693 1.00 33.34 H new ATOM 0 HD1 PHE A 95 -1.158 9.890 1.011 1.00 51.12 H new ATOM 0 HD2 PHE A 95 -3.222 6.471 -0.509 1.00 64.43 H new ATOM 0 HE1 PHE A 95 -2.772 11.346 -0.114 1.00 33.40 H new ATOM 0 HE2 PHE A 95 -4.833 7.942 -1.625 1.00 74.51 H new ATOM 0 HZ PHE A 95 -4.608 10.379 -1.427 1.00 72.11 H new ATOM 1513 N LEU A 96 -1.455 5.041 3.744 1.00 23.41 N ATOM 1514 CA LEU A 96 -1.028 3.750 4.282 1.00 15.42 C ATOM 1515 C LEU A 96 -1.767 2.645 3.521 1.00 71.34 C ATOM 1516 O LEU A 96 -2.987 2.687 3.403 1.00 3.15 O ATOM 1517 CB LEU A 96 -1.315 3.638 5.804 1.00 71.24 C ATOM 1518 CG LEU A 96 -0.773 4.797 6.716 1.00 62.13 C ATOM 1519 CD1 LEU A 96 -1.794 5.942 6.835 1.00 13.22 C ATOM 1520 CD2 LEU A 96 -0.354 4.288 8.108 1.00 11.11 C ATOM 0 H LEU A 96 -2.460 5.200 3.814 1.00 23.41 H new ATOM 0 HA LEU A 96 0.050 3.650 4.152 1.00 15.42 H new ATOM 0 HB2 LEU A 96 -2.394 3.574 5.942 1.00 71.24 H new ATOM 0 HB3 LEU A 96 -0.892 2.699 6.161 1.00 71.24 H new ATOM 0 HG LEU A 96 0.120 5.190 6.230 1.00 62.13 H new ATOM 0 HD11 LEU A 96 -1.388 6.727 7.473 1.00 13.22 H new ATOM 0 HD12 LEU A 96 -2.001 6.349 5.845 1.00 13.22 H new ATOM 0 HD13 LEU A 96 -2.718 5.562 7.272 1.00 13.22 H new ATOM 0 HD21 LEU A 96 0.014 5.122 8.705 1.00 11.11 H new ATOM 0 HD22 LEU A 96 -1.214 3.838 8.605 1.00 11.11 H new ATOM 0 HD23 LEU A 96 0.434 3.543 8.001 1.00 11.11 H new ATOM 1532 N THR A 97 -1.016 1.678 2.990 1.00 42.41 N ATOM 1533 CA THR A 97 -1.572 0.550 2.226 1.00 2.22 C ATOM 1534 C THR A 97 -1.247 -0.773 2.927 1.00 42.13 C ATOM 1535 O THR A 97 -0.210 -0.899 3.570 1.00 12.24 O ATOM 1536 CB THR A 97 -1.011 0.534 0.763 1.00 43.23 C ATOM 1537 OG1 THR A 97 -1.092 1.850 0.224 1.00 31.23 O ATOM 1538 CG2 THR A 97 -1.790 -0.430 -0.159 1.00 4.41 C ATOM 0 H THR A 97 0.000 1.652 3.076 1.00 42.41 H new ATOM 0 HA THR A 97 -2.654 0.672 2.177 1.00 2.22 H new ATOM 0 HB THR A 97 0.021 0.186 0.810 1.00 43.23 H new ATOM 0 HG1 THR A 97 -0.478 1.931 -0.535 1.00 31.23 H new ATOM 0 HG21 THR A 97 -1.360 -0.402 -1.160 1.00 4.41 H new ATOM 0 HG22 THR A 97 -1.725 -1.444 0.236 1.00 4.41 H new ATOM 0 HG23 THR A 97 -2.835 -0.125 -0.204 1.00 4.41 H new ATOM 1546 N GLU A 98 -2.156 -1.738 2.813 1.00 71.01 N ATOM 1547 CA GLU A 98 -1.948 -3.095 3.304 1.00 44.41 C ATOM 1548 C GLU A 98 -2.309 -4.076 2.174 1.00 32.34 C ATOM 1549 O GLU A 98 -3.455 -4.117 1.720 1.00 71.35 O ATOM 1550 CB GLU A 98 -2.813 -3.299 4.568 1.00 40.13 C ATOM 1551 CG GLU A 98 -2.759 -4.697 5.186 1.00 14.22 C ATOM 1552 CD GLU A 98 -3.772 -4.856 6.326 1.00 33.24 C ATOM 1553 OE1 GLU A 98 -4.985 -4.805 6.040 1.00 55.30 O ATOM 1554 OE2 GLU A 98 -3.378 -5.049 7.500 1.00 73.32 O ATOM 0 H GLU A 98 -3.065 -1.597 2.373 1.00 71.01 H new ATOM 0 HA GLU A 98 -0.910 -3.274 3.584 1.00 44.41 H new ATOM 0 HB2 GLU A 98 -2.500 -2.576 5.321 1.00 40.13 H new ATOM 0 HB3 GLU A 98 -3.849 -3.071 4.318 1.00 40.13 H new ATOM 0 HG2 GLU A 98 -2.958 -5.442 4.416 1.00 14.22 H new ATOM 0 HG3 GLU A 98 -1.755 -4.889 5.563 1.00 14.22 H new ATOM 1561 N LEU A 99 -1.300 -4.819 1.687 1.00 24.55 N ATOM 1562 CA LEU A 99 -1.478 -5.842 0.638 1.00 74.22 C ATOM 1563 C LEU A 99 -1.433 -7.220 1.308 1.00 52.51 C ATOM 1564 O LEU A 99 -0.456 -7.529 1.968 1.00 0.24 O ATOM 1565 CB LEU A 99 -0.354 -5.733 -0.446 1.00 74.24 C ATOM 1566 CG LEU A 99 -0.218 -4.367 -1.191 1.00 34.11 C ATOM 1567 CD1 LEU A 99 0.885 -4.440 -2.267 1.00 61.51 C ATOM 1568 CD2 LEU A 99 -1.554 -3.915 -1.808 1.00 61.24 C ATOM 0 H LEU A 99 -0.336 -4.728 2.009 1.00 24.55 H new ATOM 0 HA LEU A 99 -2.434 -5.692 0.137 1.00 74.22 H new ATOM 0 HB2 LEU A 99 0.600 -5.955 0.032 1.00 74.24 H new ATOM 0 HB3 LEU A 99 -0.525 -6.510 -1.191 1.00 74.24 H new ATOM 0 HG LEU A 99 0.068 -3.619 -0.451 1.00 34.11 H new ATOM 0 HD11 LEU A 99 0.963 -3.478 -2.774 1.00 61.51 H new ATOM 0 HD12 LEU A 99 1.838 -4.680 -1.795 1.00 61.51 H new ATOM 0 HD13 LEU A 99 0.634 -5.213 -2.993 1.00 61.51 H new ATOM 0 HD21 LEU A 99 -1.416 -2.961 -2.317 1.00 61.24 H new ATOM 0 HD22 LEU A 99 -1.895 -4.662 -2.525 1.00 61.24 H new ATOM 0 HD23 LEU A 99 -2.299 -3.801 -1.020 1.00 61.24 H new ATOM 1580 N LEU A 100 -2.482 -8.034 1.141 1.00 64.30 N ATOM 1581 CA LEU A 100 -2.585 -9.362 1.785 1.00 64.45 C ATOM 1582 C LEU A 100 -2.853 -10.398 0.694 1.00 61.13 C ATOM 1583 O LEU A 100 -3.772 -10.230 -0.076 1.00 24.30 O ATOM 1584 CB LEU A 100 -3.732 -9.335 2.862 1.00 13.53 C ATOM 1585 CG LEU A 100 -3.768 -10.492 3.939 1.00 13.51 C ATOM 1586 CD1 LEU A 100 -4.675 -10.111 5.131 1.00 34.42 C ATOM 1587 CD2 LEU A 100 -4.223 -11.841 3.350 1.00 52.33 C ATOM 0 H LEU A 100 -3.285 -7.797 0.558 1.00 64.30 H new ATOM 0 HA LEU A 100 -1.661 -9.624 2.300 1.00 64.45 H new ATOM 0 HB2 LEU A 100 -3.668 -8.386 3.394 1.00 13.53 H new ATOM 0 HB3 LEU A 100 -4.686 -9.341 2.334 1.00 13.53 H new ATOM 0 HG LEU A 100 -2.743 -10.615 4.288 1.00 13.51 H new ATOM 0 HD11 LEU A 100 -4.682 -10.924 5.857 1.00 34.42 H new ATOM 0 HD12 LEU A 100 -4.294 -9.206 5.603 1.00 34.42 H new ATOM 0 HD13 LEU A 100 -5.690 -9.934 4.774 1.00 34.42 H new ATOM 0 HD21 LEU A 100 -4.228 -12.597 4.135 1.00 52.33 H new ATOM 0 HD22 LEU A 100 -5.227 -11.738 2.938 1.00 52.33 H new ATOM 0 HD23 LEU A 100 -3.536 -12.143 2.560 1.00 52.33 H new ATOM 1599 N LEU A 101 -2.042 -11.456 0.616 1.00 73.02 N ATOM 1600 CA LEU A 101 -2.288 -12.579 -0.302 1.00 62.23 C ATOM 1601 C LEU A 101 -2.608 -13.838 0.521 1.00 42.44 C ATOM 1602 O LEU A 101 -1.761 -14.342 1.273 1.00 74.25 O ATOM 1603 CB LEU A 101 -1.078 -12.799 -1.243 1.00 51.40 C ATOM 1604 CG LEU A 101 -1.241 -13.898 -2.348 1.00 21.44 C ATOM 1605 CD1 LEU A 101 -2.544 -13.719 -3.148 1.00 55.25 C ATOM 1606 CD2 LEU A 101 -0.019 -13.892 -3.288 1.00 34.12 C ATOM 0 H LEU A 101 -1.200 -11.562 1.182 1.00 73.02 H new ATOM 0 HA LEU A 101 -3.143 -12.351 -0.939 1.00 62.23 H new ATOM 0 HB2 LEU A 101 -0.852 -11.853 -1.734 1.00 51.40 H new ATOM 0 HB3 LEU A 101 -0.213 -13.056 -0.632 1.00 51.40 H new ATOM 0 HG LEU A 101 -1.300 -14.865 -1.849 1.00 21.44 H new ATOM 0 HD11 LEU A 101 -2.618 -14.501 -3.903 1.00 55.25 H new ATOM 0 HD12 LEU A 101 -3.397 -13.785 -2.473 1.00 55.25 H new ATOM 0 HD13 LEU A 101 -2.541 -12.744 -3.635 1.00 55.25 H new ATOM 0 HD21 LEU A 101 -0.144 -14.660 -4.052 1.00 34.12 H new ATOM 0 HD22 LEU A 101 0.068 -12.916 -3.765 1.00 34.12 H new ATOM 0 HD23 LEU A 101 0.884 -14.096 -2.712 1.00 34.12 H new ATOM 1618 N GLU A 102 -3.849 -14.330 0.353 1.00 54.11 N ATOM 1619 CA GLU A 102 -4.425 -15.429 1.157 1.00 0.31 C ATOM 1620 C GLU A 102 -3.863 -16.810 0.729 1.00 60.22 C ATOM 1621 O GLU A 102 -3.499 -16.986 -0.441 1.00 52.14 O ATOM 1622 CB GLU A 102 -5.974 -15.386 1.041 1.00 71.31 C ATOM 1623 CG GLU A 102 -6.587 -14.060 1.540 1.00 42.13 C ATOM 1624 CD GLU A 102 -8.119 -14.071 1.566 1.00 40.42 C ATOM 1625 OE1 GLU A 102 -8.693 -14.709 2.476 1.00 45.51 O ATOM 1626 OE2 GLU A 102 -8.755 -13.444 0.696 1.00 44.11 O ATOM 0 H GLU A 102 -4.491 -13.972 -0.354 1.00 54.11 H new ATOM 0 HA GLU A 102 -4.139 -15.290 2.200 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -6.258 -15.540 0.000 1.00 71.31 H new ATOM 0 HB3 GLU A 102 -6.397 -16.212 1.613 1.00 71.31 H new ATOM 0 HG2 GLU A 102 -6.215 -13.851 2.543 1.00 42.13 H new ATOM 0 HG3 GLU A 102 -6.247 -13.247 0.898 1.00 42.13 H new ATOM 1633 N PRO A 103 -3.786 -17.819 1.677 1.00 13.11 N ATOM 1634 CA PRO A 103 -3.205 -19.151 1.387 1.00 41.33 C ATOM 1635 C PRO A 103 -4.176 -20.045 0.578 1.00 42.53 C ATOM 1636 O PRO A 103 -5.294 -20.338 1.029 1.00 14.14 O ATOM 1637 CB PRO A 103 -2.931 -19.725 2.807 1.00 4.04 C ATOM 1638 CG PRO A 103 -3.971 -19.102 3.688 1.00 24.12 C ATOM 1639 CD PRO A 103 -4.264 -17.733 3.092 1.00 42.33 C ATOM 0 HA PRO A 103 -2.311 -19.101 0.766 1.00 41.33 H new ATOM 0 HB2 PRO A 103 -3.008 -20.812 2.814 1.00 4.04 H new ATOM 0 HB3 PRO A 103 -1.926 -19.475 3.146 1.00 4.04 H new ATOM 0 HG2 PRO A 103 -4.872 -19.714 3.720 1.00 24.12 H new ATOM 0 HG3 PRO A 103 -3.611 -19.012 4.713 1.00 24.12 H new ATOM 0 HD2 PRO A 103 -5.328 -17.502 3.136 1.00 42.33 H new ATOM 0 HD3 PRO A 103 -3.744 -16.945 3.637 1.00 42.33 H new ATOM 1647 N GLY A 104 -3.766 -20.413 -0.647 1.00 12.51 N ATOM 1648 CA GLY A 104 -4.528 -21.342 -1.493 1.00 11.23 C ATOM 1649 C GLY A 104 -5.565 -20.637 -2.361 1.00 14.54 C ATOM 1650 O GLY A 104 -5.746 -20.997 -3.529 1.00 14.44 O ATOM 0 H GLY A 104 -2.903 -20.077 -1.075 1.00 12.51 H new ATOM 0 HA2 GLY A 104 -3.838 -21.892 -2.133 1.00 11.23 H new ATOM 0 HA3 GLY A 104 -5.028 -22.075 -0.860 1.00 11.23 H new ATOM 1654 N ASN A 105 -6.264 -19.639 -1.780 1.00 61.54 N ATOM 1655 CA ASN A 105 -7.252 -18.818 -2.504 1.00 33.24 C ATOM 1656 C ASN A 105 -6.534 -17.800 -3.392 1.00 72.34 C ATOM 1657 O ASN A 105 -5.544 -17.185 -2.971 1.00 43.12 O ATOM 1658 CB ASN A 105 -8.206 -18.075 -1.522 1.00 33.05 C ATOM 1659 CG ASN A 105 -9.092 -19.014 -0.702 1.00 10.30 C ATOM 1660 OD1 ASN A 105 -9.397 -20.135 -1.114 1.00 45.22 O ATOM 1661 ND2 ASN A 105 -9.547 -18.548 0.448 1.00 22.24 N ATOM 0 H ASN A 105 -6.158 -19.382 -0.799 1.00 61.54 H new ATOM 0 HA ASN A 105 -7.853 -19.486 -3.121 1.00 33.24 H new ATOM 0 HB2 ASN A 105 -7.611 -17.465 -0.843 1.00 33.05 H new ATOM 0 HB3 ASN A 105 -8.840 -17.394 -2.090 1.00 33.05 H new ATOM 0 HD21 ASN A 105 -10.168 -19.120 1.020 1.00 22.24 H new ATOM 0 HD22 ASN A 105 -9.277 -17.616 0.763 1.00 22.24 H new ATOM 1668 N SER A 106 -7.057 -17.621 -4.615 1.00 33.11 N ATOM 1669 CA SER A 106 -6.553 -16.647 -5.598 1.00 71.41 C ATOM 1670 C SER A 106 -7.118 -15.247 -5.303 1.00 24.25 C ATOM 1671 O SER A 106 -7.707 -14.612 -6.171 1.00 71.32 O ATOM 1672 CB SER A 106 -6.929 -17.131 -7.036 1.00 1.32 C ATOM 1673 OG SER A 106 -6.335 -18.385 -7.310 1.00 21.53 O ATOM 0 H SER A 106 -7.855 -18.157 -4.955 1.00 33.11 H new ATOM 0 HA SER A 106 -5.467 -16.577 -5.529 1.00 71.41 H new ATOM 0 HB2 SER A 106 -8.012 -17.208 -7.128 1.00 1.32 H new ATOM 0 HB3 SER A 106 -6.598 -16.397 -7.771 1.00 1.32 H new ATOM 0 HG SER A 106 -6.582 -18.674 -8.213 1.00 21.53 H new ATOM 1679 N GLU A 107 -6.949 -14.777 -4.057 1.00 22.14 N ATOM 1680 CA GLU A 107 -7.469 -13.470 -3.614 1.00 33.25 C ATOM 1681 C GLU A 107 -6.365 -12.658 -2.921 1.00 61.41 C ATOM 1682 O GLU A 107 -5.727 -13.138 -1.974 1.00 74.10 O ATOM 1683 CB GLU A 107 -8.683 -13.673 -2.660 1.00 55.41 C ATOM 1684 CG GLU A 107 -9.904 -14.327 -3.326 1.00 1.55 C ATOM 1685 CD GLU A 107 -11.078 -14.526 -2.357 1.00 70.20 C ATOM 1686 OE1 GLU A 107 -11.735 -13.531 -1.992 1.00 44.14 O ATOM 1687 OE2 GLU A 107 -11.350 -15.676 -1.954 1.00 41.33 O ATOM 0 H GLU A 107 -6.450 -15.289 -3.329 1.00 22.14 H new ATOM 0 HA GLU A 107 -7.803 -12.911 -4.488 1.00 33.25 H new ATOM 0 HB2 GLU A 107 -8.370 -14.289 -1.817 1.00 55.41 H new ATOM 0 HB3 GLU A 107 -8.979 -12.705 -2.255 1.00 55.41 H new ATOM 0 HG2 GLU A 107 -10.230 -13.708 -4.162 1.00 1.55 H new ATOM 0 HG3 GLU A 107 -9.613 -15.293 -3.739 1.00 1.55 H new ATOM 1694 N MET A 108 -6.128 -11.440 -3.432 1.00 23.02 N ATOM 1695 CA MET A 108 -5.274 -10.440 -2.786 1.00 1.13 C ATOM 1696 C MET A 108 -6.156 -9.262 -2.345 1.00 22.21 C ATOM 1697 O MET A 108 -6.922 -8.725 -3.144 1.00 20.32 O ATOM 1698 CB MET A 108 -4.142 -9.958 -3.735 1.00 45.01 C ATOM 1699 CG MET A 108 -3.284 -8.810 -3.169 1.00 64.23 C ATOM 1700 SD MET A 108 -1.863 -8.410 -4.211 1.00 55.41 S ATOM 1701 CE MET A 108 -0.758 -9.782 -3.871 1.00 22.14 C ATOM 0 H MET A 108 -6.529 -11.122 -4.314 1.00 23.02 H new ATOM 0 HA MET A 108 -4.788 -10.887 -1.919 1.00 1.13 H new ATOM 0 HB2 MET A 108 -3.492 -10.803 -3.964 1.00 45.01 H new ATOM 0 HB3 MET A 108 -4.587 -9.634 -4.676 1.00 45.01 H new ATOM 0 HG2 MET A 108 -3.905 -7.922 -3.055 1.00 64.23 H new ATOM 0 HG3 MET A 108 -2.932 -9.083 -2.174 1.00 64.23 H new ATOM 0 HE1 MET A 108 -0.119 -9.958 -4.736 1.00 22.14 H new ATOM 0 HE2 MET A 108 -0.139 -9.545 -3.005 1.00 22.14 H new ATOM 0 HE3 MET A 108 -1.343 -10.678 -3.664 1.00 22.14 H new ATOM 1711 N GLN A 109 -6.037 -8.877 -1.072 1.00 13.13 N ATOM 1712 CA GLN A 109 -6.824 -7.815 -0.447 1.00 12.23 C ATOM 1713 C GLN A 109 -5.958 -6.550 -0.355 1.00 34.11 C ATOM 1714 O GLN A 109 -4.886 -6.572 0.256 1.00 12.10 O ATOM 1715 CB GLN A 109 -7.250 -8.294 0.964 1.00 71.51 C ATOM 1716 CG GLN A 109 -8.103 -9.583 0.944 1.00 62.41 C ATOM 1717 CD GLN A 109 -8.255 -10.228 2.321 1.00 61.41 C ATOM 1718 OE1 GLN A 109 -7.356 -10.164 3.155 1.00 23.44 O ATOM 1719 NE2 GLN A 109 -9.388 -10.850 2.582 1.00 73.03 N ATOM 0 H GLN A 109 -5.371 -9.309 -0.431 1.00 13.13 H new ATOM 0 HA GLN A 109 -7.715 -7.587 -1.032 1.00 12.23 H new ATOM 0 HB2 GLN A 109 -6.358 -8.467 1.565 1.00 71.51 H new ATOM 0 HB3 GLN A 109 -7.815 -7.501 1.453 1.00 71.51 H new ATOM 0 HG2 GLN A 109 -9.092 -9.350 0.548 1.00 62.41 H new ATOM 0 HG3 GLN A 109 -7.648 -10.301 0.262 1.00 62.41 H new ATOM 0 HE21 GLN A 109 -10.122 -10.891 1.875 1.00 73.03 H new ATOM 0 HE22 GLN A 109 -9.531 -11.290 3.491 1.00 73.03 H new ATOM 1728 N ILE A 110 -6.420 -5.476 -0.998 1.00 2.13 N ATOM 1729 CA ILE A 110 -5.726 -4.180 -1.039 1.00 54.54 C ATOM 1730 C ILE A 110 -6.547 -3.183 -0.203 1.00 1.00 C ATOM 1731 O ILE A 110 -7.683 -2.878 -0.560 1.00 22.45 O ATOM 1732 CB ILE A 110 -5.572 -3.613 -2.519 1.00 64.44 C ATOM 1733 CG1 ILE A 110 -4.761 -4.575 -3.462 1.00 52.20 C ATOM 1734 CG2 ILE A 110 -4.934 -2.201 -2.508 1.00 23.31 C ATOM 1735 CD1 ILE A 110 -5.517 -5.808 -3.942 1.00 2.44 C ATOM 0 H ILE A 110 -7.300 -5.478 -1.514 1.00 2.13 H new ATOM 0 HA ILE A 110 -4.720 -4.316 -0.642 1.00 54.54 H new ATOM 0 HB ILE A 110 -6.580 -3.544 -2.928 1.00 64.44 H new ATOM 0 HG12 ILE A 110 -4.431 -4.009 -4.333 1.00 52.20 H new ATOM 0 HG13 ILE A 110 -3.864 -4.901 -2.936 1.00 52.20 H new ATOM 0 HG21 ILE A 110 -4.840 -1.836 -3.531 1.00 23.31 H new ATOM 0 HG22 ILE A 110 -5.566 -1.521 -1.937 1.00 23.31 H new ATOM 0 HG23 ILE A 110 -3.947 -2.251 -2.048 1.00 23.31 H new ATOM 0 HD11 ILE A 110 -4.870 -6.404 -4.585 1.00 2.44 H new ATOM 0 HD12 ILE A 110 -5.823 -6.404 -3.083 1.00 2.44 H new ATOM 0 HD13 ILE A 110 -6.399 -5.499 -4.502 1.00 2.44 H new ATOM 1747 N SER A 111 -5.968 -2.676 0.891 1.00 35.13 N ATOM 1748 CA SER A 111 -6.626 -1.685 1.754 1.00 12.21 C ATOM 1749 C SER A 111 -5.843 -0.372 1.696 1.00 12.34 C ATOM 1750 O SER A 111 -4.689 -0.317 2.119 1.00 51.33 O ATOM 1751 CB SER A 111 -6.716 -2.211 3.203 1.00 64.21 C ATOM 1752 OG SER A 111 -7.400 -1.303 4.055 1.00 55.51 O ATOM 0 H SER A 111 -5.033 -2.939 1.204 1.00 35.13 H new ATOM 0 HA SER A 111 -7.642 -1.508 1.401 1.00 12.21 H new ATOM 0 HB2 SER A 111 -7.230 -3.172 3.209 1.00 64.21 H new ATOM 0 HB3 SER A 111 -5.712 -2.385 3.589 1.00 64.21 H new ATOM 0 HG SER A 111 -6.762 -0.892 4.674 1.00 55.51 H new ATOM 1758 N VAL A 112 -6.470 0.670 1.136 1.00 51.02 N ATOM 1759 CA VAL A 112 -5.900 2.017 1.087 1.00 13.31 C ATOM 1760 C VAL A 112 -6.561 2.854 2.195 1.00 24.14 C ATOM 1761 O VAL A 112 -7.790 2.932 2.270 1.00 15.03 O ATOM 1762 CB VAL A 112 -6.129 2.708 -0.310 1.00 74.21 C ATOM 1763 CG1 VAL A 112 -5.376 4.053 -0.377 1.00 25.22 C ATOM 1764 CG2 VAL A 112 -5.704 1.779 -1.467 1.00 41.33 C ATOM 0 H VAL A 112 -7.391 0.599 0.703 1.00 51.02 H new ATOM 0 HA VAL A 112 -4.822 1.947 1.235 1.00 13.31 H new ATOM 0 HB VAL A 112 -7.195 2.906 -0.420 1.00 74.21 H new ATOM 0 HG11 VAL A 112 -5.545 4.517 -1.349 1.00 25.22 H new ATOM 0 HG12 VAL A 112 -5.741 4.714 0.409 1.00 25.22 H new ATOM 0 HG13 VAL A 112 -4.309 3.880 -0.239 1.00 25.22 H new ATOM 0 HG21 VAL A 112 -5.873 2.282 -2.419 1.00 41.33 H new ATOM 0 HG22 VAL A 112 -4.646 1.536 -1.368 1.00 41.33 H new ATOM 0 HG23 VAL A 112 -6.292 0.862 -1.432 1.00 41.33 H new ATOM 1774 N LYS A 113 -5.746 3.446 3.062 1.00 51.51 N ATOM 1775 CA LYS A 113 -6.209 4.255 4.185 1.00 22.41 C ATOM 1776 C LYS A 113 -5.286 5.462 4.301 1.00 54.30 C ATOM 1777 O LYS A 113 -4.138 5.323 4.705 1.00 33.14 O ATOM 1778 CB LYS A 113 -6.156 3.381 5.462 1.00 34.40 C ATOM 1779 CG LYS A 113 -6.445 4.109 6.784 1.00 10.02 C ATOM 1780 CD LYS A 113 -6.259 3.188 8.009 1.00 70.22 C ATOM 1781 CE LYS A 113 -7.188 1.972 8.002 1.00 24.24 C ATOM 1782 NZ LYS A 113 -7.027 1.159 9.232 1.00 73.03 N ATOM 0 H LYS A 113 -4.730 3.376 3.004 1.00 51.51 H new ATOM 0 HA LYS A 113 -7.232 4.604 4.045 1.00 22.41 H new ATOM 0 HB2 LYS A 113 -6.873 2.568 5.353 1.00 34.40 H new ATOM 0 HB3 LYS A 113 -5.167 2.927 5.528 1.00 34.40 H new ATOM 0 HG2 LYS A 113 -5.783 4.970 6.875 1.00 10.02 H new ATOM 0 HG3 LYS A 113 -7.466 4.492 6.771 1.00 10.02 H new ATOM 0 HD2 LYS A 113 -5.225 2.846 8.043 1.00 70.22 H new ATOM 0 HD3 LYS A 113 -6.434 3.764 8.917 1.00 70.22 H new ATOM 0 HE2 LYS A 113 -8.223 2.304 7.916 1.00 24.24 H new ATOM 0 HE3 LYS A 113 -6.977 1.357 7.127 1.00 24.24 H new ATOM 0 HZ1 LYS A 113 -7.944 0.746 9.498 1.00 73.03 H new ATOM 0 HZ2 LYS A 113 -6.342 0.397 9.057 1.00 73.03 H new ATOM 0 HZ3 LYS A 113 -6.682 1.763 10.005 1.00 73.03 H new ATOM 1796 N GLN A 114 -5.785 6.632 3.911 1.00 25.10 N ATOM 1797 CA GLN A 114 -5.021 7.890 3.952 1.00 33.43 C ATOM 1798 C GLN A 114 -5.567 8.832 5.030 1.00 21.43 C ATOM 1799 O GLN A 114 -6.611 8.559 5.623 1.00 14.53 O ATOM 1800 CB GLN A 114 -5.029 8.590 2.572 1.00 15.21 C ATOM 1801 CG GLN A 114 -6.422 8.975 2.020 1.00 75.42 C ATOM 1802 CD GLN A 114 -7.110 7.881 1.192 1.00 1.05 C ATOM 1803 OE1 GLN A 114 -6.881 6.685 1.368 1.00 43.54 O ATOM 1804 NE2 GLN A 114 -7.976 8.291 0.293 1.00 51.22 N ATOM 0 H GLN A 114 -6.734 6.742 3.555 1.00 25.10 H new ATOM 0 HA GLN A 114 -3.990 7.641 4.205 1.00 33.43 H new ATOM 0 HB2 GLN A 114 -4.424 9.494 2.641 1.00 15.21 H new ATOM 0 HB3 GLN A 114 -4.542 7.934 1.850 1.00 15.21 H new ATOM 0 HG2 GLN A 114 -7.069 9.239 2.857 1.00 75.42 H new ATOM 0 HG3 GLN A 114 -6.319 9.868 1.403 1.00 75.42 H new ATOM 0 HE21 GLN A 114 -8.147 9.289 0.167 1.00 51.22 H new ATOM 0 HE22 GLN A 114 -8.477 7.612 -0.279 1.00 51.22 H new ATOM 1813 N ASN A 115 -4.828 9.936 5.286 1.00 52.14 N ATOM 1814 CA ASN A 115 -5.211 10.953 6.282 1.00 32.25 C ATOM 1815 C ASN A 115 -6.374 11.802 5.721 1.00 31.23 C ATOM 1816 O ASN A 115 -7.499 11.690 6.191 1.00 54.23 O ATOM 1817 CB ASN A 115 -3.984 11.833 6.660 1.00 62.22 C ATOM 1818 CG ASN A 115 -4.200 12.728 7.891 1.00 63.15 C ATOM 1819 OD1 ASN A 115 -5.306 13.168 8.201 1.00 2.24 O ATOM 1820 ND2 ASN A 115 -3.124 13.009 8.604 1.00 43.32 N ATOM 0 H ASN A 115 -3.952 10.143 4.807 1.00 52.14 H new ATOM 0 HA ASN A 115 -5.550 10.465 7.196 1.00 32.25 H new ATOM 0 HB2 ASN A 115 -3.129 11.183 6.844 1.00 62.22 H new ATOM 0 HB3 ASN A 115 -3.728 12.463 5.808 1.00 62.22 H new ATOM 0 HD21 ASN A 115 -3.200 13.602 9.430 1.00 43.32 H new ATOM 0 HD22 ASN A 115 -2.217 12.633 8.328 1.00 43.32 H new ATOM 1827 N GLU A 116 -6.097 12.644 4.705 1.00 62.34 N ATOM 1828 CA GLU A 116 -7.136 13.396 3.961 1.00 13.40 C ATOM 1829 C GLU A 116 -7.416 12.706 2.614 1.00 63.04 C ATOM 1830 O GLU A 116 -6.525 12.607 1.761 1.00 21.00 O ATOM 1831 CB GLU A 116 -6.714 14.876 3.723 1.00 63.34 C ATOM 1832 CG GLU A 116 -6.734 15.752 4.985 1.00 65.55 C ATOM 1833 CD GLU A 116 -6.529 17.249 4.686 1.00 44.22 C ATOM 1834 OE1 GLU A 116 -7.359 17.832 3.957 1.00 1.42 O ATOM 1835 OE2 GLU A 116 -5.529 17.844 5.157 1.00 70.31 O ATOM 0 H GLU A 116 -5.149 12.824 4.375 1.00 62.34 H new ATOM 0 HA GLU A 116 -8.043 13.402 4.565 1.00 13.40 H new ATOM 0 HB2 GLU A 116 -5.709 14.891 3.301 1.00 63.34 H new ATOM 0 HB3 GLU A 116 -7.379 15.316 2.980 1.00 63.34 H new ATOM 0 HG2 GLU A 116 -7.686 15.617 5.498 1.00 65.55 H new ATOM 0 HG3 GLU A 116 -5.954 15.414 5.667 1.00 65.55 H new ATOM 1842 N ALA A 117 -8.654 12.216 2.440 1.00 51.11 N ATOM 1843 CA ALA A 117 -9.084 11.528 1.221 1.00 64.52 C ATOM 1844 C ALA A 117 -9.552 12.542 0.165 1.00 62.35 C ATOM 1845 O ALA A 117 -10.529 13.269 0.377 1.00 11.20 O ATOM 1846 CB ALA A 117 -10.210 10.530 1.554 1.00 70.34 C ATOM 0 H ALA A 117 -9.385 12.289 3.147 1.00 51.11 H new ATOM 0 HA ALA A 117 -8.238 10.978 0.809 1.00 64.52 H new ATOM 0 HB1 ALA A 117 -10.526 10.021 0.643 1.00 70.34 H new ATOM 0 HB2 ALA A 117 -9.845 9.796 2.272 1.00 70.34 H new ATOM 0 HB3 ALA A 117 -11.057 11.066 1.982 1.00 70.34 H new ATOM 1852 N ARG A 118 -8.834 12.592 -0.966 1.00 32.12 N ATOM 1853 CA ARG A 118 -9.284 13.290 -2.183 1.00 0.25 C ATOM 1854 C ARG A 118 -9.711 12.236 -3.195 1.00 61.00 C ATOM 1855 O ARG A 118 -9.169 11.128 -3.197 1.00 34.14 O ATOM 1856 CB ARG A 118 -8.143 14.185 -2.757 1.00 41.53 C ATOM 1857 CG ARG A 118 -7.785 15.390 -1.865 1.00 70.41 C ATOM 1858 CD ARG A 118 -6.413 16.007 -2.190 1.00 31.51 C ATOM 1859 NE ARG A 118 -6.318 16.535 -3.567 1.00 33.32 N ATOM 1860 CZ ARG A 118 -5.162 16.731 -4.235 1.00 41.14 C ATOM 1861 NH1 ARG A 118 -3.991 16.440 -3.671 1.00 72.44 N ATOM 1862 NH2 ARG A 118 -5.179 17.237 -5.458 1.00 22.50 N ATOM 0 H ARG A 118 -7.921 12.148 -1.065 1.00 32.12 H new ATOM 0 HA ARG A 118 -10.123 13.947 -1.954 1.00 0.25 H new ATOM 0 HB2 ARG A 118 -7.252 13.574 -2.899 1.00 41.53 H new ATOM 0 HB3 ARG A 118 -8.440 14.549 -3.740 1.00 41.53 H new ATOM 0 HG2 ARG A 118 -8.554 16.155 -1.975 1.00 70.41 H new ATOM 0 HG3 ARG A 118 -7.795 15.075 -0.821 1.00 70.41 H new ATOM 0 HD2 ARG A 118 -6.209 16.813 -1.485 1.00 31.51 H new ATOM 0 HD3 ARG A 118 -5.640 15.253 -2.044 1.00 31.51 H new ATOM 0 HE ARG A 118 -7.188 16.768 -4.046 1.00 33.32 H new ATOM 0 HH11 ARG A 118 -3.961 16.064 -2.723 1.00 72.44 H new ATOM 0 HH12 ARG A 118 -3.124 16.593 -4.187 1.00 72.44 H new ATOM 0 HH21 ARG A 118 -6.067 17.480 -5.897 1.00 22.50 H new ATOM 0 HH22 ARG A 118 -4.304 17.384 -5.961 1.00 22.50 H new ATOM 1876 N THR A 119 -10.692 12.581 -4.038 1.00 40.43 N ATOM 1877 CA THR A 119 -11.122 11.739 -5.157 1.00 5.31 C ATOM 1878 C THR A 119 -9.949 11.563 -6.137 1.00 34.51 C ATOM 1879 O THR A 119 -9.717 10.465 -6.662 1.00 42.00 O ATOM 1880 CB THR A 119 -12.363 12.375 -5.872 1.00 31.45 C ATOM 1881 OG1 THR A 119 -13.386 12.643 -4.887 1.00 70.43 O ATOM 1882 CG2 THR A 119 -12.935 11.450 -6.967 1.00 71.43 C ATOM 0 H THR A 119 -11.211 13.456 -3.961 1.00 40.43 H new ATOM 0 HA THR A 119 -11.421 10.759 -4.784 1.00 5.31 H new ATOM 0 HB THR A 119 -12.040 13.298 -6.354 1.00 31.45 H new ATOM 0 HG1 THR A 119 -14.166 13.043 -5.326 1.00 70.43 H new ATOM 0 HG21 THR A 119 -13.794 11.930 -7.437 1.00 71.43 H new ATOM 0 HG22 THR A 119 -12.169 11.260 -7.719 1.00 71.43 H new ATOM 0 HG23 THR A 119 -13.247 10.506 -6.520 1.00 71.43 H new ATOM 1890 N GLU A 120 -9.168 12.662 -6.277 1.00 63.21 N ATOM 1891 CA GLU A 120 -7.991 12.724 -7.157 1.00 4.23 C ATOM 1892 C GLU A 120 -6.940 11.729 -6.674 1.00 42.03 C ATOM 1893 O GLU A 120 -6.558 10.820 -7.406 1.00 31.32 O ATOM 1894 CB GLU A 120 -7.372 14.156 -7.140 1.00 54.12 C ATOM 1895 CG GLU A 120 -8.330 15.277 -7.573 1.00 2.41 C ATOM 1896 CD GLU A 120 -7.806 16.666 -7.191 1.00 71.12 C ATOM 1897 OE1 GLU A 120 -8.094 17.124 -6.063 1.00 0.24 O ATOM 1898 OE2 GLU A 120 -7.055 17.284 -7.976 1.00 72.22 O ATOM 0 H GLU A 120 -9.344 13.533 -5.776 1.00 63.21 H new ATOM 0 HA GLU A 120 -8.304 12.479 -8.172 1.00 4.23 H new ATOM 0 HB2 GLU A 120 -7.016 14.371 -6.133 1.00 54.12 H new ATOM 0 HB3 GLU A 120 -6.501 14.168 -7.795 1.00 54.12 H new ATOM 0 HG2 GLU A 120 -8.477 15.230 -8.652 1.00 2.41 H new ATOM 0 HG3 GLU A 120 -9.304 15.118 -7.111 1.00 2.41 H new ATOM 1905 N THR A 121 -6.559 11.874 -5.393 1.00 73.42 N ATOM 1906 CA THR A 121 -5.429 11.150 -4.821 1.00 73.32 C ATOM 1907 C THR A 121 -5.762 9.680 -4.546 1.00 24.11 C ATOM 1908 O THR A 121 -4.942 8.829 -4.842 1.00 32.43 O ATOM 1909 CB THR A 121 -4.919 11.859 -3.528 1.00 4.51 C ATOM 1910 OG1 THR A 121 -5.963 11.920 -2.534 1.00 43.42 O ATOM 1911 CG2 THR A 121 -4.407 13.279 -3.839 1.00 42.03 C ATOM 0 H THR A 121 -7.028 12.495 -4.734 1.00 73.42 H new ATOM 0 HA THR A 121 -4.629 11.161 -5.562 1.00 73.32 H new ATOM 0 HB THR A 121 -4.090 11.271 -3.134 1.00 4.51 H new ATOM 0 HG1 THR A 121 -5.752 12.619 -1.881 1.00 43.42 H new ATOM 0 HG21 THR A 121 -4.058 13.749 -2.920 1.00 42.03 H new ATOM 0 HG22 THR A 121 -3.585 13.221 -4.552 1.00 42.03 H new ATOM 0 HG23 THR A 121 -5.216 13.872 -4.265 1.00 42.03 H new ATOM 1919 N LEU A 122 -6.962 9.387 -3.995 1.00 42.11 N ATOM 1920 CA LEU A 122 -7.381 8.000 -3.709 1.00 21.45 C ATOM 1921 C LEU A 122 -7.473 7.179 -5.008 1.00 22.01 C ATOM 1922 O LEU A 122 -6.816 6.145 -5.113 1.00 15.32 O ATOM 1923 CB LEU A 122 -8.733 7.952 -2.936 1.00 61.01 C ATOM 1924 CG LEU A 122 -9.293 6.520 -2.609 1.00 32.25 C ATOM 1925 CD1 LEU A 122 -8.262 5.643 -1.875 1.00 63.42 C ATOM 1926 CD2 LEU A 122 -10.594 6.597 -1.790 1.00 52.14 C ATOM 0 H LEU A 122 -7.654 10.092 -3.741 1.00 42.11 H new ATOM 0 HA LEU A 122 -6.619 7.556 -3.068 1.00 21.45 H new ATOM 0 HB2 LEU A 122 -8.612 8.495 -1.999 1.00 61.01 H new ATOM 0 HB3 LEU A 122 -9.481 8.488 -3.520 1.00 61.01 H new ATOM 0 HG LEU A 122 -9.509 6.051 -3.569 1.00 32.25 H new ATOM 0 HD11 LEU A 122 -8.696 4.664 -1.671 1.00 63.42 H new ATOM 0 HD12 LEU A 122 -7.376 5.524 -2.498 1.00 63.42 H new ATOM 0 HD13 LEU A 122 -7.983 6.119 -0.935 1.00 63.42 H new ATOM 0 HD21 LEU A 122 -10.953 5.589 -1.582 1.00 52.14 H new ATOM 0 HD22 LEU A 122 -10.402 7.115 -0.850 1.00 52.14 H new ATOM 0 HD23 LEU A 122 -11.349 7.141 -2.357 1.00 52.14 H new ATOM 1938 N ASN A 123 -8.244 7.677 -6.008 1.00 21.24 N ATOM 1939 CA ASN A 123 -8.469 6.941 -7.280 1.00 61.21 C ATOM 1940 C ASN A 123 -7.152 6.739 -8.045 1.00 71.45 C ATOM 1941 O ASN A 123 -6.904 5.659 -8.595 1.00 32.02 O ATOM 1942 CB ASN A 123 -9.511 7.674 -8.177 1.00 72.42 C ATOM 1943 CG ASN A 123 -10.955 7.510 -7.695 1.00 51.12 C ATOM 1944 OD1 ASN A 123 -11.330 6.489 -7.118 1.00 43.14 O ATOM 1945 ND2 ASN A 123 -11.777 8.517 -7.934 1.00 11.43 N ATOM 0 H ASN A 123 -8.718 8.579 -5.960 1.00 21.24 H new ATOM 0 HA ASN A 123 -8.869 5.960 -7.024 1.00 61.21 H new ATOM 0 HB2 ASN A 123 -9.266 8.736 -8.211 1.00 72.42 H new ATOM 0 HB3 ASN A 123 -9.431 7.296 -9.196 1.00 72.42 H new ATOM 0 HD21 ASN A 123 -12.752 8.461 -7.638 1.00 11.43 H new ATOM 0 HD22 ASN A 123 -11.437 9.350 -8.414 1.00 11.43 H new ATOM 1952 N SER A 124 -6.302 7.778 -8.042 1.00 35.54 N ATOM 1953 CA SER A 124 -5.006 7.736 -8.728 1.00 33.32 C ATOM 1954 C SER A 124 -4.002 6.848 -7.972 1.00 60.13 C ATOM 1955 O SER A 124 -3.131 6.256 -8.593 1.00 62.25 O ATOM 1956 CB SER A 124 -4.449 9.155 -8.913 1.00 0.31 C ATOM 1957 OG SER A 124 -3.193 9.155 -9.575 1.00 50.00 O ATOM 0 H SER A 124 -6.493 8.661 -7.569 1.00 35.54 H new ATOM 0 HA SER A 124 -5.161 7.295 -9.713 1.00 33.32 H new ATOM 0 HB2 SER A 124 -5.160 9.751 -9.486 1.00 0.31 H new ATOM 0 HB3 SER A 124 -4.345 9.633 -7.939 1.00 0.31 H new ATOM 0 HG SER A 124 -3.024 10.042 -9.956 1.00 50.00 H new ATOM 1963 N PHE A 125 -4.141 6.754 -6.630 1.00 41.11 N ATOM 1964 CA PHE A 125 -3.248 5.927 -5.786 1.00 55.52 C ATOM 1965 C PHE A 125 -3.554 4.444 -6.007 1.00 2.55 C ATOM 1966 O PHE A 125 -2.640 3.622 -6.082 1.00 25.13 O ATOM 1967 CB PHE A 125 -3.391 6.299 -4.288 1.00 43.33 C ATOM 1968 CG PHE A 125 -2.351 5.660 -3.379 1.00 51.43 C ATOM 1969 CD1 PHE A 125 -1.101 6.253 -3.199 1.00 74.22 C ATOM 1970 CD2 PHE A 125 -2.618 4.471 -2.708 1.00 21.24 C ATOM 1971 CE1 PHE A 125 -0.160 5.677 -2.370 1.00 44.14 C ATOM 1972 CE2 PHE A 125 -1.679 3.901 -1.886 1.00 31.24 C ATOM 1973 CZ PHE A 125 -0.448 4.499 -1.714 1.00 45.01 C ATOM 0 H PHE A 125 -4.867 7.243 -6.106 1.00 41.11 H new ATOM 0 HA PHE A 125 -2.216 6.124 -6.077 1.00 55.52 H new ATOM 0 HB2 PHE A 125 -3.327 7.382 -4.188 1.00 43.33 H new ATOM 0 HB3 PHE A 125 -4.384 6.005 -3.947 1.00 43.33 H new ATOM 0 HD1 PHE A 125 -0.867 7.173 -3.714 1.00 74.22 H new ATOM 0 HD2 PHE A 125 -3.577 3.990 -2.836 1.00 21.24 H new ATOM 0 HE1 PHE A 125 0.802 6.149 -2.235 1.00 44.14 H new ATOM 0 HE2 PHE A 125 -1.905 2.979 -1.371 1.00 31.24 H new ATOM 0 HZ PHE A 125 0.288 4.046 -1.067 1.00 45.01 H new ATOM 1983 N ILE A 126 -4.860 4.133 -6.106 1.00 62.43 N ATOM 1984 CA ILE A 126 -5.348 2.807 -6.500 1.00 61.14 C ATOM 1985 C ILE A 126 -4.804 2.488 -7.899 1.00 33.21 C ATOM 1986 O ILE A 126 -4.284 1.415 -8.121 1.00 61.14 O ATOM 1987 CB ILE A 126 -6.925 2.753 -6.502 1.00 42.34 C ATOM 1988 CG1 ILE A 126 -7.495 3.087 -5.084 1.00 64.10 C ATOM 1989 CG2 ILE A 126 -7.450 1.379 -6.992 1.00 75.44 C ATOM 1990 CD1 ILE A 126 -8.986 3.389 -5.057 1.00 21.54 C ATOM 0 H ILE A 126 -5.606 4.801 -5.913 1.00 62.43 H new ATOM 0 HA ILE A 126 -4.999 2.067 -5.780 1.00 61.14 H new ATOM 0 HB ILE A 126 -7.276 3.510 -7.203 1.00 42.34 H new ATOM 0 HG12 ILE A 126 -7.296 2.247 -4.419 1.00 64.10 H new ATOM 0 HG13 ILE A 126 -6.956 3.945 -4.683 1.00 64.10 H new ATOM 0 HG21 ILE A 126 -8.540 1.380 -6.979 1.00 75.44 H new ATOM 0 HG22 ILE A 126 -7.099 1.197 -8.008 1.00 75.44 H new ATOM 0 HG23 ILE A 126 -7.081 0.593 -6.334 1.00 75.44 H new ATOM 0 HD11 ILE A 126 -9.294 3.609 -4.035 1.00 21.54 H new ATOM 0 HD12 ILE A 126 -9.194 4.250 -5.692 1.00 21.54 H new ATOM 0 HD13 ILE A 126 -9.539 2.525 -5.424 1.00 21.54 H new ATOM 2002 N SER A 127 -4.872 3.489 -8.799 1.00 34.50 N ATOM 2003 CA SER A 127 -4.391 3.376 -10.185 1.00 62.03 C ATOM 2004 C SER A 127 -2.864 3.130 -10.250 1.00 61.33 C ATOM 2005 O SER A 127 -2.391 2.444 -11.161 1.00 40.12 O ATOM 2006 CB SER A 127 -4.788 4.642 -10.975 1.00 21.40 C ATOM 2007 OG SER A 127 -4.373 4.583 -12.329 1.00 41.32 O ATOM 0 H SER A 127 -5.266 4.404 -8.580 1.00 34.50 H new ATOM 0 HA SER A 127 -4.865 2.507 -10.642 1.00 62.03 H new ATOM 0 HB2 SER A 127 -5.870 4.769 -10.934 1.00 21.40 H new ATOM 0 HB3 SER A 127 -4.346 5.518 -10.500 1.00 21.40 H new ATOM 0 HG SER A 127 -4.646 5.403 -12.791 1.00 41.32 H new ATOM 2013 N VAL A 128 -2.106 3.701 -9.281 1.00 24.25 N ATOM 2014 CA VAL A 128 -0.676 3.407 -9.110 1.00 31.21 C ATOM 2015 C VAL A 128 -0.515 1.919 -8.780 1.00 22.12 C ATOM 2016 O VAL A 128 0.190 1.207 -9.485 1.00 71.11 O ATOM 2017 CB VAL A 128 -0.015 4.308 -7.989 1.00 12.21 C ATOM 2018 CG1 VAL A 128 1.417 3.846 -7.651 1.00 4.13 C ATOM 2019 CG2 VAL A 128 0.005 5.795 -8.406 1.00 40.44 C ATOM 0 H VAL A 128 -2.472 4.372 -8.605 1.00 24.25 H new ATOM 0 HA VAL A 128 -0.157 3.639 -10.040 1.00 31.21 H new ATOM 0 HB VAL A 128 -0.631 4.198 -7.097 1.00 12.21 H new ATOM 0 HG11 VAL A 128 1.834 4.491 -6.878 1.00 4.13 H new ATOM 0 HG12 VAL A 128 1.392 2.817 -7.291 1.00 4.13 H new ATOM 0 HG13 VAL A 128 2.038 3.903 -8.545 1.00 4.13 H new ATOM 0 HG21 VAL A 128 0.465 6.388 -7.616 1.00 40.44 H new ATOM 0 HG22 VAL A 128 0.580 5.907 -9.325 1.00 40.44 H new ATOM 0 HG23 VAL A 128 -1.016 6.140 -8.572 1.00 40.44 H new ATOM 2029 N LEU A 129 -1.219 1.475 -7.718 1.00 62.01 N ATOM 2030 CA LEU A 129 -1.229 0.069 -7.271 1.00 14.24 C ATOM 2031 C LEU A 129 -1.636 -0.902 -8.404 1.00 42.04 C ATOM 2032 O LEU A 129 -1.046 -1.970 -8.522 1.00 75.51 O ATOM 2033 CB LEU A 129 -2.163 -0.108 -6.042 1.00 65.24 C ATOM 2034 CG LEU A 129 -1.813 0.764 -4.796 1.00 31.34 C ATOM 2035 CD1 LEU A 129 -2.877 0.600 -3.705 1.00 34.23 C ATOM 2036 CD2 LEU A 129 -0.406 0.448 -4.242 1.00 45.22 C ATOM 0 H LEU A 129 -1.799 2.087 -7.144 1.00 62.01 H new ATOM 0 HA LEU A 129 -0.209 -0.182 -6.980 1.00 14.24 H new ATOM 0 HB2 LEU A 129 -3.184 0.121 -6.348 1.00 65.24 H new ATOM 0 HB3 LEU A 129 -2.148 -1.157 -5.745 1.00 65.24 H new ATOM 0 HG LEU A 129 -1.804 1.804 -5.121 1.00 31.34 H new ATOM 0 HD11 LEU A 129 -2.614 1.216 -2.845 1.00 34.23 H new ATOM 0 HD12 LEU A 129 -3.847 0.912 -4.093 1.00 34.23 H new ATOM 0 HD13 LEU A 129 -2.928 -0.445 -3.400 1.00 34.23 H new ATOM 0 HD21 LEU A 129 -0.206 1.079 -3.376 1.00 45.22 H new ATOM 0 HD22 LEU A 129 -0.358 -0.600 -3.947 1.00 45.22 H new ATOM 0 HD23 LEU A 129 0.340 0.642 -5.012 1.00 45.22 H new ATOM 2048 N GLU A 130 -2.604 -0.498 -9.260 1.00 74.13 N ATOM 2049 CA GLU A 130 -3.088 -1.323 -10.387 1.00 15.13 C ATOM 2050 C GLU A 130 -1.961 -1.539 -11.410 1.00 51.04 C ATOM 2051 O GLU A 130 -1.701 -2.672 -11.829 1.00 74.30 O ATOM 2052 CB GLU A 130 -4.301 -0.648 -11.087 1.00 64.10 C ATOM 2053 CG GLU A 130 -5.565 -0.478 -10.225 1.00 13.22 C ATOM 2054 CD GLU A 130 -6.148 -1.798 -9.705 1.00 74.32 C ATOM 2055 OE1 GLU A 130 -6.811 -2.509 -10.494 1.00 54.13 O ATOM 2056 OE2 GLU A 130 -5.958 -2.127 -8.515 1.00 45.02 O ATOM 0 H GLU A 130 -3.069 0.407 -9.187 1.00 74.13 H new ATOM 0 HA GLU A 130 -3.405 -2.286 -9.987 1.00 15.13 H new ATOM 0 HB2 GLU A 130 -3.991 0.335 -11.441 1.00 64.10 H new ATOM 0 HB3 GLU A 130 -4.561 -1.236 -11.967 1.00 64.10 H new ATOM 0 HG2 GLU A 130 -5.329 0.163 -9.375 1.00 13.22 H new ATOM 0 HG3 GLU A 130 -6.326 0.037 -10.812 1.00 13.22 H new ATOM 2063 N THR A 131 -1.306 -0.425 -11.798 1.00 34.52 N ATOM 2064 CA THR A 131 -0.207 -0.436 -12.775 1.00 10.21 C ATOM 2065 C THR A 131 1.016 -1.207 -12.236 1.00 3.11 C ATOM 2066 O THR A 131 1.616 -1.993 -12.965 1.00 73.51 O ATOM 2067 CB THR A 131 0.202 1.018 -13.177 1.00 61.24 C ATOM 2068 OG1 THR A 131 -0.956 1.727 -13.637 1.00 22.14 O ATOM 2069 CG2 THR A 131 1.277 1.044 -14.287 1.00 65.54 C ATOM 0 H THR A 131 -1.527 0.505 -11.441 1.00 34.52 H new ATOM 0 HA THR A 131 -0.568 -0.951 -13.665 1.00 10.21 H new ATOM 0 HB THR A 131 0.625 1.492 -12.292 1.00 61.24 H new ATOM 0 HG1 THR A 131 -1.497 2.004 -12.868 1.00 22.14 H new ATOM 0 HG21 THR A 131 1.525 2.077 -14.529 1.00 65.54 H new ATOM 0 HG22 THR A 131 2.172 0.528 -13.939 1.00 65.54 H new ATOM 0 HG23 THR A 131 0.893 0.545 -15.177 1.00 65.54 H new ATOM 2077 N VAL A 132 1.341 -0.992 -10.947 1.00 21.42 N ATOM 2078 CA VAL A 132 2.498 -1.621 -10.285 1.00 65.11 C ATOM 2079 C VAL A 132 2.322 -3.148 -10.251 1.00 40.40 C ATOM 2080 O VAL A 132 3.168 -3.870 -10.776 1.00 70.15 O ATOM 2081 CB VAL A 132 2.737 -1.022 -8.834 1.00 34.34 C ATOM 2082 CG1 VAL A 132 3.766 -1.847 -8.025 1.00 72.21 C ATOM 2083 CG2 VAL A 132 3.203 0.453 -8.933 1.00 15.34 C ATOM 0 H VAL A 132 0.807 -0.376 -10.335 1.00 21.42 H new ATOM 0 HA VAL A 132 3.392 -1.395 -10.866 1.00 65.11 H new ATOM 0 HB VAL A 132 1.786 -1.070 -8.303 1.00 34.34 H new ATOM 0 HG11 VAL A 132 3.897 -1.400 -7.040 1.00 72.21 H new ATOM 0 HG12 VAL A 132 3.406 -2.870 -7.914 1.00 72.21 H new ATOM 0 HG13 VAL A 132 4.721 -1.853 -8.550 1.00 72.21 H new ATOM 0 HG21 VAL A 132 3.363 0.852 -7.931 1.00 15.34 H new ATOM 0 HG22 VAL A 132 4.134 0.503 -9.497 1.00 15.34 H new ATOM 0 HG23 VAL A 132 2.439 1.043 -9.440 1.00 15.34 H new ATOM 2093 N ILE A 133 1.181 -3.600 -9.698 1.00 33.04 N ATOM 2094 CA ILE A 133 0.819 -5.031 -9.618 1.00 34.04 C ATOM 2095 C ILE A 133 0.830 -5.662 -11.039 1.00 32.53 C ATOM 2096 O ILE A 133 1.502 -6.672 -11.271 1.00 53.15 O ATOM 2097 CB ILE A 133 -0.596 -5.217 -8.910 1.00 11.12 C ATOM 2098 CG1 ILE A 133 -0.503 -4.862 -7.378 1.00 13.04 C ATOM 2099 CG2 ILE A 133 -1.176 -6.636 -9.122 1.00 61.33 C ATOM 2100 CD1 ILE A 133 -1.823 -4.939 -6.619 1.00 43.22 C ATOM 0 H ILE A 133 0.480 -2.981 -9.292 1.00 33.04 H new ATOM 0 HA ILE A 133 1.559 -5.549 -9.009 1.00 34.04 H new ATOM 0 HB ILE A 133 -1.289 -4.521 -9.383 1.00 11.12 H new ATOM 0 HG12 ILE A 133 0.210 -5.538 -6.906 1.00 13.04 H new ATOM 0 HG13 ILE A 133 -0.101 -3.854 -7.278 1.00 13.04 H new ATOM 0 HG21 ILE A 133 -2.141 -6.713 -8.621 1.00 61.33 H new ATOM 0 HG22 ILE A 133 -1.305 -6.821 -10.188 1.00 61.33 H new ATOM 0 HG23 ILE A 133 -0.491 -7.375 -8.706 1.00 61.33 H new ATOM 0 HD11 ILE A 133 -1.657 -4.678 -5.574 1.00 43.22 H new ATOM 0 HD12 ILE A 133 -2.537 -4.242 -7.058 1.00 43.22 H new ATOM 0 HD13 ILE A 133 -2.220 -5.952 -6.681 1.00 43.22 H new ATOM 2112 N GLY A 134 0.167 -4.967 -11.981 1.00 55.11 N ATOM 2113 CA GLY A 134 -0.009 -5.446 -13.358 1.00 51.20 C ATOM 2114 C GLY A 134 1.304 -5.661 -14.108 1.00 20.23 C ATOM 2115 O GLY A 134 1.483 -6.693 -14.765 1.00 35.21 O ATOM 0 H GLY A 134 -0.261 -4.058 -11.806 1.00 55.11 H new ATOM 0 HA2 GLY A 134 -0.563 -6.384 -13.338 1.00 51.20 H new ATOM 0 HA3 GLY A 134 -0.617 -4.728 -13.908 1.00 51.20 H new ATOM 2119 N THR A 135 2.235 -4.699 -13.957 1.00 44.25 N ATOM 2120 CA THR A 135 3.561 -4.730 -14.611 1.00 55.21 C ATOM 2121 C THR A 135 4.428 -5.877 -14.046 1.00 72.23 C ATOM 2122 O THR A 135 5.208 -6.504 -14.775 1.00 35.14 O ATOM 2123 CB THR A 135 4.297 -3.358 -14.427 1.00 75.14 C ATOM 2124 OG1 THR A 135 3.484 -2.295 -14.949 1.00 41.30 O ATOM 2125 CG2 THR A 135 5.670 -3.312 -15.127 1.00 72.41 C ATOM 0 H THR A 135 2.089 -3.874 -13.375 1.00 44.25 H new ATOM 0 HA THR A 135 3.407 -4.907 -15.675 1.00 55.21 H new ATOM 0 HB THR A 135 4.463 -3.237 -13.356 1.00 75.14 H new ATOM 0 HG1 THR A 135 2.702 -2.168 -14.372 1.00 41.30 H new ATOM 0 HG21 THR A 135 6.129 -2.337 -14.963 1.00 72.41 H new ATOM 0 HG22 THR A 135 6.314 -4.090 -14.717 1.00 72.41 H new ATOM 0 HG23 THR A 135 5.539 -3.476 -16.197 1.00 72.41 H new ATOM 2133 N ILE A 136 4.256 -6.147 -12.742 1.00 61.10 N ATOM 2134 CA ILE A 136 4.994 -7.207 -12.035 1.00 72.43 C ATOM 2135 C ILE A 136 4.425 -8.588 -12.398 1.00 1.42 C ATOM 2136 O ILE A 136 5.153 -9.580 -12.430 1.00 25.12 O ATOM 2137 CB ILE A 136 4.947 -6.962 -10.476 1.00 2.04 C ATOM 2138 CG1 ILE A 136 5.626 -5.600 -10.127 1.00 1.42 C ATOM 2139 CG2 ILE A 136 5.609 -8.121 -9.690 1.00 11.21 C ATOM 2140 CD1 ILE A 136 5.418 -5.146 -8.696 1.00 74.42 C ATOM 0 H ILE A 136 3.602 -5.637 -12.148 1.00 61.10 H new ATOM 0 HA ILE A 136 6.037 -7.180 -12.349 1.00 72.43 H new ATOM 0 HB ILE A 136 3.900 -6.925 -10.175 1.00 2.04 H new ATOM 0 HG12 ILE A 136 6.696 -5.682 -10.318 1.00 1.42 H new ATOM 0 HG13 ILE A 136 5.240 -4.833 -10.799 1.00 1.42 H new ATOM 0 HG21 ILE A 136 5.555 -7.913 -8.621 1.00 11.21 H new ATOM 0 HG22 ILE A 136 5.085 -9.052 -9.905 1.00 11.21 H new ATOM 0 HG23 ILE A 136 6.653 -8.214 -9.990 1.00 11.21 H new ATOM 0 HD11 ILE A 136 5.923 -4.192 -8.540 1.00 74.42 H new ATOM 0 HD12 ILE A 136 4.352 -5.028 -8.503 1.00 74.42 H new ATOM 0 HD13 ILE A 136 5.830 -5.890 -8.015 1.00 74.42 H new