USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 98 LYS NZ :NH3+ -142:sc= 0.356 (180deg=0.221) USER MOD Set 1.2: A 103 GLN : amide:sc= -0.589 K(o=-0.23,f=-15!) USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.988 K(o=0.99,f=-4.9!) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 32:sc= 0.0951 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0206 (180deg=-0.115) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 38 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.19) USER MOD Single : A 40 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc=-0.00329 (180deg=-0.101) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00943 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.171 F(o=-1.2,f=-0.17) USER MOD Single : A 56 ASN : amide:sc= 1.2 K(o=1.2,f=-0.036) USER MOD Single : A 60 GLN : amide:sc= 0.84 K(o=0.84,f=-0.0061) USER MOD Single : A 61 SER OG : rot 62:sc= 1.06 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0313 K(o=-0.031,f=-1.1) USER MOD Single : A 77 MET CE :methyl -158:sc= -0.128 (180deg=-0.733) USER MOD Single : A 78 ASN : amide:sc= -0.77 K(o=-0.77,f=-5.3!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0601 F(o=-1.7!,f=-0.06) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.139 (180deg=-0.888) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.58 F(o=-2.3,f=-1.6) USER MOD Single : A 92 MET CE :methyl -163:sc= -0.861 (180deg=-1.15) USER MOD Single : A 93 LYS NZ :NH3+ -138:sc= 1.06 (180deg=0.457) USER MOD Single : A 96 LYS NZ :NH3+ -104:sc= 1.09 (180deg=-0.386) USER MOD Single : A 100 GLN : amide:sc= -1.01 K(o=-1,f=-5.5!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -171:sc= -2.26 (180deg=-2.74) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 346 N THR A 24 12.441 3.979 -9.741 1.00 54.14 N ATOM 347 CA THR A 24 12.364 3.224 -8.502 1.00 54.52 C ATOM 348 C THR A 24 11.110 3.617 -7.726 1.00 4.23 C ATOM 349 O THR A 24 10.500 2.798 -7.040 1.00 32.33 O ATOM 350 CB THR A 24 13.608 3.475 -7.631 1.00 72.31 C ATOM 351 OG1 THR A 24 14.794 3.133 -8.362 1.00 43.33 O ATOM 352 CG2 THR A 24 13.556 2.664 -6.347 1.00 33.33 C ATOM 0 HA THR A 24 12.319 2.164 -8.752 1.00 54.52 H new ATOM 0 HB THR A 24 13.626 4.533 -7.370 1.00 72.31 H new ATOM 0 HG1 THR A 24 14.650 3.302 -9.316 1.00 43.33 H new ATOM 0 HG21 THR A 24 14.449 2.864 -5.754 1.00 33.33 H new ATOM 0 HG22 THR A 24 12.671 2.944 -5.776 1.00 33.33 H new ATOM 0 HG23 THR A 24 13.511 1.602 -6.589 1.00 33.33 H new ATOM 360 N TRP A 25 10.725 4.877 -7.861 1.00 64.23 N ATOM 361 CA TRP A 25 9.552 5.399 -7.181 1.00 31.32 C ATOM 362 C TRP A 25 8.403 5.596 -8.155 1.00 53.24 C ATOM 363 O TRP A 25 7.424 6.278 -7.864 1.00 42.03 O ATOM 364 CB TRP A 25 9.882 6.706 -6.484 1.00 72.42 C ATOM 365 CG TRP A 25 10.570 6.499 -5.173 1.00 32.53 C ATOM 366 CD1 TRP A 25 11.886 6.722 -4.888 1.00 52.45 C ATOM 367 CD2 TRP A 25 9.977 5.993 -3.972 1.00 15.31 C ATOM 368 NE1 TRP A 25 12.145 6.392 -3.581 1.00 41.11 N ATOM 369 CE2 TRP A 25 10.989 5.946 -2.997 1.00 12.22 C ATOM 370 CE3 TRP A 25 8.684 5.583 -3.623 1.00 1.12 C ATOM 371 CZ2 TRP A 25 10.753 5.502 -1.701 1.00 44.30 C ATOM 372 CZ3 TRP A 25 8.452 5.141 -2.335 1.00 63.30 C ATOM 373 CH2 TRP A 25 9.482 5.106 -1.387 1.00 75.35 C ATOM 0 H TRP A 25 11.213 5.560 -8.440 1.00 64.23 H new ATOM 0 HA TRP A 25 9.242 4.671 -6.432 1.00 31.32 H new ATOM 0 HB2 TRP A 25 10.517 7.309 -7.133 1.00 72.42 H new ATOM 0 HB3 TRP A 25 8.963 7.270 -6.323 1.00 72.42 H new ATOM 0 HD1 TRP A 25 12.616 7.102 -5.588 1.00 52.45 H new ATOM 0 HE1 TRP A 25 13.051 6.467 -3.119 1.00 41.11 H new ATOM 0 HE3 TRP A 25 7.883 5.612 -4.347 1.00 1.12 H new ATOM 0 HZ2 TRP A 25 11.545 5.471 -0.968 1.00 44.30 H new ATOM 0 HZ3 TRP A 25 7.461 4.817 -2.055 1.00 63.30 H new ATOM 0 HH2 TRP A 25 9.268 4.759 -0.387 1.00 75.35 H new ATOM 384 N ALA A 26 8.558 5.007 -9.316 1.00 73.23 N ATOM 385 CA ALA A 26 7.498 4.948 -10.309 1.00 22.12 C ATOM 386 C ALA A 26 6.869 3.559 -10.315 1.00 21.52 C ATOM 387 O ALA A 26 7.344 2.648 -9.629 1.00 3.12 O ATOM 388 CB ALA A 26 8.041 5.290 -11.686 1.00 53.04 C ATOM 0 H ALA A 26 9.424 4.552 -9.605 1.00 73.23 H new ATOM 0 HA ALA A 26 6.733 5.680 -10.051 1.00 22.12 H new ATOM 0 HB1 ALA A 26 7.234 5.241 -12.418 1.00 53.04 H new ATOM 0 HB2 ALA A 26 8.458 6.297 -11.673 1.00 53.04 H new ATOM 0 HB3 ALA A 26 8.820 4.578 -11.957 1.00 53.04 H new ATOM 394 N ILE A 27 5.797 3.396 -11.073 1.00 15.23 N ATOM 395 CA ILE A 27 5.174 2.092 -11.218 1.00 13.10 C ATOM 396 C ILE A 27 5.846 1.313 -12.341 1.00 13.25 C ATOM 397 O ILE A 27 5.505 1.463 -13.516 1.00 4.22 O ATOM 398 CB ILE A 27 3.656 2.194 -11.485 1.00 65.05 C ATOM 399 CG1 ILE A 27 2.969 2.939 -10.338 1.00 44.31 C ATOM 400 CG2 ILE A 27 3.049 0.807 -11.652 1.00 33.22 C ATOM 401 CD1 ILE A 27 1.492 3.191 -10.565 1.00 22.54 C ATOM 0 H ILE A 27 5.343 4.146 -11.594 1.00 15.23 H new ATOM 0 HA ILE A 27 5.305 1.565 -10.273 1.00 13.10 H new ATOM 0 HB ILE A 27 3.502 2.751 -12.409 1.00 65.05 H new ATOM 0 HG12 ILE A 27 3.092 2.365 -9.420 1.00 44.31 H new ATOM 0 HG13 ILE A 27 3.471 3.894 -10.186 1.00 44.31 H new ATOM 0 HG21 ILE A 27 1.979 0.898 -11.839 1.00 33.22 H new ATOM 0 HG22 ILE A 27 3.523 0.301 -12.493 1.00 33.22 H new ATOM 0 HG23 ILE A 27 3.210 0.228 -10.743 1.00 33.22 H new ATOM 0 HD11 ILE A 27 1.078 3.723 -9.708 1.00 22.54 H new ATOM 0 HD12 ILE A 27 1.360 3.792 -11.464 1.00 22.54 H new ATOM 0 HD13 ILE A 27 0.975 2.239 -10.686 1.00 22.54 H new ATOM 413 N THR A 28 6.841 0.527 -11.963 1.00 2.20 N ATOM 414 CA THR A 28 7.542 -0.352 -12.886 1.00 61.33 C ATOM 415 C THR A 28 6.625 -1.507 -13.302 1.00 24.05 C ATOM 416 O THR A 28 5.618 -1.753 -12.648 1.00 63.15 O ATOM 417 CB THR A 28 8.818 -0.910 -12.213 1.00 35.12 C ATOM 418 OG1 THR A 28 9.520 0.153 -11.552 1.00 25.24 O ATOM 419 CG2 THR A 28 9.743 -1.568 -13.227 1.00 41.23 C ATOM 0 H THR A 28 7.187 0.480 -11.004 1.00 2.20 H new ATOM 0 HA THR A 28 7.826 0.215 -13.773 1.00 61.33 H new ATOM 0 HB THR A 28 8.511 -1.665 -11.490 1.00 35.12 H new ATOM 0 HG1 THR A 28 10.327 -0.204 -11.125 1.00 25.24 H new ATOM 0 HG21 THR A 28 10.629 -1.948 -12.718 1.00 41.23 H new ATOM 0 HG22 THR A 28 9.222 -2.393 -13.714 1.00 41.23 H new ATOM 0 HG23 THR A 28 10.042 -0.835 -13.976 1.00 41.23 H new ATOM 427 N VAL A 29 6.963 -2.191 -14.394 1.00 13.52 N ATOM 428 CA VAL A 29 6.199 -3.348 -14.862 1.00 1.41 C ATOM 429 C VAL A 29 5.956 -4.347 -13.728 1.00 54.44 C ATOM 430 O VAL A 29 4.833 -4.814 -13.535 1.00 12.01 O ATOM 431 CB VAL A 29 6.926 -4.065 -16.020 1.00 61.11 C ATOM 432 CG1 VAL A 29 6.063 -5.179 -16.599 1.00 44.25 C ATOM 433 CG2 VAL A 29 7.316 -3.069 -17.102 1.00 64.44 C ATOM 0 H VAL A 29 7.768 -1.962 -14.976 1.00 13.52 H new ATOM 0 HA VAL A 29 5.240 -2.973 -15.219 1.00 1.41 H new ATOM 0 HB VAL A 29 7.835 -4.516 -15.623 1.00 61.11 H new ATOM 0 HG11 VAL A 29 6.598 -5.668 -17.413 1.00 44.25 H new ATOM 0 HG12 VAL A 29 5.841 -5.909 -15.821 1.00 44.25 H new ATOM 0 HG13 VAL A 29 5.132 -4.758 -16.978 1.00 44.25 H new ATOM 0 HG21 VAL A 29 7.827 -3.592 -17.910 1.00 64.44 H new ATOM 0 HG22 VAL A 29 6.420 -2.586 -17.492 1.00 64.44 H new ATOM 0 HG23 VAL A 29 7.980 -2.315 -16.680 1.00 64.44 H new ATOM 443 N GLU A 30 7.011 -4.663 -12.980 1.00 22.21 N ATOM 444 CA GLU A 30 6.891 -5.543 -11.820 1.00 13.12 C ATOM 445 C GLU A 30 5.915 -4.975 -10.797 1.00 2.52 C ATOM 446 O GLU A 30 4.999 -5.668 -10.364 1.00 21.51 O ATOM 447 CB GLU A 30 8.260 -5.769 -11.175 1.00 42.33 C ATOM 448 CG GLU A 30 8.193 -6.512 -9.852 1.00 11.25 C ATOM 449 CD GLU A 30 9.553 -6.927 -9.345 1.00 23.05 C ATOM 450 OE1 GLU A 30 10.335 -6.048 -8.921 1.00 20.31 O ATOM 451 OE2 GLU A 30 9.849 -8.139 -9.373 1.00 12.23 O ATOM 0 H GLU A 30 7.957 -4.324 -13.156 1.00 22.21 H new ATOM 0 HA GLU A 30 6.502 -6.501 -12.166 1.00 13.12 H new ATOM 0 HB2 GLU A 30 8.890 -6.330 -11.866 1.00 42.33 H new ATOM 0 HB3 GLU A 30 8.741 -4.804 -11.016 1.00 42.33 H new ATOM 0 HG2 GLU A 30 7.711 -5.878 -9.108 1.00 11.25 H new ATOM 0 HG3 GLU A 30 7.568 -7.397 -9.969 1.00 11.25 H new ATOM 458 N GLU A 31 6.112 -3.717 -10.425 1.00 12.00 N ATOM 459 CA GLU A 31 5.225 -3.039 -9.481 1.00 70.13 C ATOM 460 C GLU A 31 3.789 -3.071 -9.992 1.00 11.51 C ATOM 461 O GLU A 31 2.846 -3.328 -9.240 1.00 60.34 O ATOM 462 CB GLU A 31 5.673 -1.586 -9.289 1.00 22.40 C ATOM 463 CG GLU A 31 7.141 -1.443 -8.911 1.00 24.33 C ATOM 464 CD GLU A 31 7.481 -2.097 -7.588 1.00 64.12 C ATOM 465 OE1 GLU A 31 7.626 -3.333 -7.552 1.00 34.43 O ATOM 466 OE2 GLU A 31 7.621 -1.371 -6.580 1.00 64.44 O ATOM 0 H GLU A 31 6.882 -3.140 -10.763 1.00 12.00 H new ATOM 0 HA GLU A 31 5.273 -3.558 -8.523 1.00 70.13 H new ATOM 0 HB2 GLU A 31 5.489 -1.034 -10.210 1.00 22.40 H new ATOM 0 HB3 GLU A 31 5.061 -1.126 -8.513 1.00 22.40 H new ATOM 0 HG2 GLU A 31 7.756 -1.883 -9.696 1.00 24.33 H new ATOM 0 HG3 GLU A 31 7.396 -0.384 -8.862 1.00 24.33 H new ATOM 473 N ARG A 32 3.642 -2.828 -11.286 1.00 51.11 N ATOM 474 CA ARG A 32 2.343 -2.824 -11.936 1.00 23.55 C ATOM 475 C ARG A 32 1.665 -4.181 -11.758 1.00 13.12 C ATOM 476 O ARG A 32 0.475 -4.253 -11.471 1.00 44.33 O ATOM 477 CB ARG A 32 2.509 -2.471 -13.425 1.00 71.31 C ATOM 478 CG ARG A 32 1.232 -1.986 -14.105 1.00 72.14 C ATOM 479 CD ARG A 32 0.227 -3.103 -14.342 1.00 40.03 C ATOM 480 NE ARG A 32 -1.105 -2.570 -14.627 1.00 60.13 N ATOM 481 CZ ARG A 32 -2.087 -3.260 -15.204 1.00 62.12 C ATOM 482 NH1 ARG A 32 -1.890 -4.509 -15.607 1.00 2.35 N ATOM 483 NH2 ARG A 32 -3.272 -2.691 -15.380 1.00 42.24 N ATOM 0 H ARG A 32 4.421 -2.628 -11.914 1.00 51.11 H new ATOM 0 HA ARG A 32 1.706 -2.069 -11.476 1.00 23.55 H new ATOM 0 HB2 ARG A 32 3.272 -1.699 -13.520 1.00 71.31 H new ATOM 0 HB3 ARG A 32 2.877 -3.349 -13.955 1.00 71.31 H new ATOM 0 HG2 ARG A 32 0.770 -1.213 -13.491 1.00 72.14 H new ATOM 0 HG3 ARG A 32 1.487 -1.525 -15.059 1.00 72.14 H new ATOM 0 HD2 ARG A 32 0.559 -3.722 -15.175 1.00 40.03 H new ATOM 0 HD3 ARG A 32 0.183 -3.747 -13.464 1.00 40.03 H new ATOM 0 HE ARG A 32 -1.295 -1.603 -14.366 1.00 60.13 H new ATOM 0 HH11 ARG A 32 -0.979 -4.950 -15.476 1.00 2.35 H new ATOM 0 HH12 ARG A 32 -2.649 -5.028 -16.048 1.00 2.35 H new ATOM 0 HH21 ARG A 32 -3.427 -1.730 -15.074 1.00 42.24 H new ATOM 0 HH22 ARG A 32 -4.028 -3.214 -15.821 1.00 42.24 H new ATOM 497 N ALA A 33 2.435 -5.247 -11.896 1.00 32.12 N ATOM 498 CA ALA A 33 1.908 -6.597 -11.746 1.00 23.34 C ATOM 499 C ALA A 33 1.733 -6.964 -10.273 1.00 52.13 C ATOM 500 O ALA A 33 0.826 -7.715 -9.912 1.00 31.40 O ATOM 501 CB ALA A 33 2.826 -7.594 -12.438 1.00 43.30 C ATOM 0 H ALA A 33 3.431 -5.205 -12.112 1.00 32.12 H new ATOM 0 HA ALA A 33 0.925 -6.633 -12.216 1.00 23.34 H new ATOM 0 HB1 ALA A 33 2.424 -8.601 -12.321 1.00 43.30 H new ATOM 0 HB2 ALA A 33 2.893 -7.351 -13.499 1.00 43.30 H new ATOM 0 HB3 ALA A 33 3.819 -7.545 -11.991 1.00 43.30 H new ATOM 507 N LYS A 34 2.598 -6.411 -9.432 1.00 43.42 N ATOM 508 CA LYS A 34 2.635 -6.734 -8.006 1.00 42.22 C ATOM 509 C LYS A 34 1.311 -6.435 -7.303 1.00 71.30 C ATOM 510 O LYS A 34 0.862 -7.220 -6.468 1.00 71.43 O ATOM 511 CB LYS A 34 3.770 -5.959 -7.323 1.00 31.40 C ATOM 512 CG LYS A 34 4.853 -6.845 -6.720 1.00 23.45 C ATOM 513 CD LYS A 34 4.316 -7.674 -5.563 1.00 65.34 C ATOM 514 CE LYS A 34 5.406 -8.511 -4.908 1.00 41.34 C ATOM 515 NZ LYS A 34 6.024 -9.474 -5.859 1.00 14.42 N ATOM 0 H LYS A 34 3.296 -5.724 -9.717 1.00 43.42 H new ATOM 0 HA LYS A 34 2.812 -7.806 -7.924 1.00 42.22 H new ATOM 0 HB2 LYS A 34 4.227 -5.289 -8.051 1.00 31.40 H new ATOM 0 HB3 LYS A 34 3.347 -5.334 -6.536 1.00 31.40 H new ATOM 0 HG2 LYS A 34 5.252 -7.507 -7.488 1.00 23.45 H new ATOM 0 HG3 LYS A 34 5.679 -6.225 -6.372 1.00 23.45 H new ATOM 0 HD2 LYS A 34 3.870 -7.013 -4.820 1.00 65.34 H new ATOM 0 HD3 LYS A 34 3.523 -8.329 -5.924 1.00 65.34 H new ATOM 0 HE2 LYS A 34 6.177 -7.852 -4.509 1.00 41.34 H new ATOM 0 HE3 LYS A 34 4.985 -9.057 -4.064 1.00 41.34 H new ATOM 0 HZ1 LYS A 34 6.648 -10.123 -5.339 1.00 14.42 H new ATOM 0 HZ2 LYS A 34 5.277 -10.019 -6.335 1.00 14.42 H new ATOM 0 HZ3 LYS A 34 6.579 -8.954 -6.568 1.00 14.42 H new ATOM 529 N HIS A 35 0.681 -5.310 -7.647 1.00 55.44 N ATOM 530 CA HIS A 35 -0.520 -4.859 -6.937 1.00 10.12 C ATOM 531 C HIS A 35 -1.620 -5.915 -6.978 1.00 43.43 C ATOM 532 O HIS A 35 -2.407 -6.041 -6.042 1.00 3.13 O ATOM 533 CB HIS A 35 -1.046 -3.525 -7.502 1.00 65.54 C ATOM 534 CG HIS A 35 -1.988 -3.629 -8.676 1.00 71.53 C ATOM 535 ND1 HIS A 35 -1.574 -3.728 -9.983 1.00 41.35 N ATOM 536 CD2 HIS A 35 -3.343 -3.629 -8.717 1.00 2.24 C ATOM 537 CE1 HIS A 35 -2.629 -3.787 -10.776 1.00 2.42 C ATOM 538 NE2 HIS A 35 -3.714 -3.730 -10.033 1.00 64.54 N ATOM 0 H HIS A 35 0.979 -4.698 -8.407 1.00 55.44 H new ATOM 0 HA HIS A 35 -0.232 -4.700 -5.898 1.00 10.12 H new ATOM 0 HB2 HIS A 35 -1.554 -2.989 -6.700 1.00 65.54 H new ATOM 0 HB3 HIS A 35 -0.192 -2.917 -7.800 1.00 65.54 H new ATOM 0 HD1 HIS A 35 -0.602 -3.752 -10.293 1.00 41.35 H new ATOM 0 HD2 HIS A 35 -4.008 -3.562 -7.869 1.00 2.24 H new ATOM 0 HE1 HIS A 35 -2.605 -3.868 -11.853 1.00 2.42 H new ATOM 547 N ASP A 36 -1.662 -6.666 -8.066 1.00 72.14 N ATOM 548 CA ASP A 36 -2.685 -7.688 -8.269 1.00 53.35 C ATOM 549 C ASP A 36 -2.538 -8.820 -7.261 1.00 31.43 C ATOM 550 O ASP A 36 -3.501 -9.212 -6.603 1.00 35.30 O ATOM 551 CB ASP A 36 -2.595 -8.250 -9.687 1.00 64.35 C ATOM 552 CG ASP A 36 -3.670 -9.280 -9.966 1.00 3.32 C ATOM 553 OD1 ASP A 36 -4.810 -8.879 -10.276 1.00 4.01 O ATOM 554 OD2 ASP A 36 -3.378 -10.494 -9.894 1.00 11.31 O ATOM 0 H ASP A 36 -0.993 -6.588 -8.832 1.00 72.14 H new ATOM 0 HA ASP A 36 -3.659 -7.220 -8.124 1.00 53.35 H new ATOM 0 HB2 ASP A 36 -2.681 -7.434 -10.405 1.00 64.35 H new ATOM 0 HB3 ASP A 36 -1.614 -8.702 -9.835 1.00 64.35 H new ATOM 559 N GLN A 37 -1.322 -9.326 -7.133 1.00 71.30 N ATOM 560 CA GLN A 37 -1.053 -10.457 -6.257 1.00 70.14 C ATOM 561 C GLN A 37 -1.086 -10.039 -4.794 1.00 15.40 C ATOM 562 O GLN A 37 -1.466 -10.823 -3.924 1.00 31.34 O ATOM 563 CB GLN A 37 0.291 -11.083 -6.616 1.00 55.12 C ATOM 564 CG GLN A 37 0.294 -11.713 -7.997 1.00 53.10 C ATOM 565 CD GLN A 37 1.678 -12.080 -8.484 1.00 22.24 C ATOM 566 OE1 GLN A 37 2.569 -12.395 -7.693 1.00 55.23 O ATOM 567 NE2 GLN A 37 1.866 -12.043 -9.790 1.00 52.42 N ATOM 0 H GLN A 37 -0.503 -8.971 -7.626 1.00 71.30 H new ATOM 0 HA GLN A 37 -1.836 -11.201 -6.401 1.00 70.14 H new ATOM 0 HB2 GLN A 37 1.067 -10.319 -6.568 1.00 55.12 H new ATOM 0 HB3 GLN A 37 0.544 -11.841 -5.875 1.00 55.12 H new ATOM 0 HG2 GLN A 37 -0.328 -12.608 -7.982 1.00 53.10 H new ATOM 0 HG3 GLN A 37 -0.161 -11.021 -8.705 1.00 53.10 H new ATOM 0 HE21 GLN A 37 1.100 -11.776 -10.408 1.00 52.42 H new ATOM 0 HE22 GLN A 37 2.778 -12.281 -10.181 1.00 52.42 H new ATOM 576 N GLN A 38 -0.704 -8.797 -4.523 1.00 72.10 N ATOM 577 CA GLN A 38 -0.821 -8.252 -3.179 1.00 10.12 C ATOM 578 C GLN A 38 -2.294 -8.161 -2.792 1.00 54.01 C ATOM 579 O GLN A 38 -2.672 -8.473 -1.664 1.00 71.04 O ATOM 580 CB GLN A 38 -0.169 -6.870 -3.085 1.00 32.34 C ATOM 581 CG GLN A 38 1.318 -6.861 -3.401 1.00 30.41 C ATOM 582 CD GLN A 38 2.112 -7.811 -2.525 1.00 61.42 C ATOM 583 OE1 GLN A 38 2.304 -8.975 -2.868 1.00 70.00 O ATOM 584 NE2 GLN A 38 2.578 -7.324 -1.389 1.00 63.44 N ATOM 0 H GLN A 38 -0.314 -8.153 -5.211 1.00 72.10 H new ATOM 0 HA GLN A 38 -0.301 -8.918 -2.490 1.00 10.12 H new ATOM 0 HB2 GLN A 38 -0.679 -6.192 -3.770 1.00 32.34 H new ATOM 0 HB3 GLN A 38 -0.318 -6.478 -2.079 1.00 32.34 H new ATOM 0 HG2 GLN A 38 1.464 -7.131 -4.447 1.00 30.41 H new ATOM 0 HG3 GLN A 38 1.705 -5.850 -3.276 1.00 30.41 H new ATOM 0 HE21 GLN A 38 2.398 -6.352 -1.139 1.00 63.44 H new ATOM 0 HE22 GLN A 38 3.118 -7.920 -0.762 1.00 63.44 H new ATOM 593 N PHE A 39 -3.120 -7.747 -3.750 1.00 42.41 N ATOM 594 CA PHE A 39 -4.562 -7.653 -3.544 1.00 50.15 C ATOM 595 C PHE A 39 -5.158 -9.045 -3.371 1.00 71.24 C ATOM 596 O PHE A 39 -6.087 -9.248 -2.592 1.00 3.54 O ATOM 597 CB PHE A 39 -5.218 -6.938 -4.730 1.00 35.04 C ATOM 598 CG PHE A 39 -6.706 -6.787 -4.608 1.00 14.22 C ATOM 599 CD1 PHE A 39 -7.268 -6.200 -3.485 1.00 33.15 C ATOM 600 CD2 PHE A 39 -7.543 -7.225 -5.621 1.00 42.30 C ATOM 601 CE1 PHE A 39 -8.635 -6.051 -3.378 1.00 40.42 C ATOM 602 CE2 PHE A 39 -8.912 -7.081 -5.518 1.00 2.13 C ATOM 603 CZ PHE A 39 -9.459 -6.491 -4.394 1.00 72.04 C ATOM 0 H PHE A 39 -2.812 -7.470 -4.682 1.00 42.41 H new ATOM 0 HA PHE A 39 -4.752 -7.076 -2.639 1.00 50.15 H new ATOM 0 HB2 PHE A 39 -4.771 -5.950 -4.837 1.00 35.04 H new ATOM 0 HB3 PHE A 39 -4.993 -7.490 -5.643 1.00 35.04 H new ATOM 0 HD1 PHE A 39 -6.629 -5.856 -2.685 1.00 33.15 H new ATOM 0 HD2 PHE A 39 -7.120 -7.685 -6.502 1.00 42.30 H new ATOM 0 HE1 PHE A 39 -9.061 -5.590 -2.499 1.00 40.42 H new ATOM 0 HE2 PHE A 39 -9.554 -7.429 -6.314 1.00 2.13 H new ATOM 0 HZ PHE A 39 -10.529 -6.375 -4.311 1.00 72.04 H new ATOM 613 N HIS A 40 -4.605 -10.001 -4.100 1.00 14.42 N ATOM 614 CA HIS A 40 -5.020 -11.392 -3.989 1.00 41.04 C ATOM 615 C HIS A 40 -4.709 -11.918 -2.588 1.00 62.32 C ATOM 616 O HIS A 40 -5.517 -12.620 -1.980 1.00 73.31 O ATOM 617 CB HIS A 40 -4.302 -12.235 -5.051 1.00 71.42 C ATOM 618 CG HIS A 40 -4.884 -13.601 -5.258 1.00 30.12 C ATOM 619 ND1 HIS A 40 -5.368 -14.027 -6.475 1.00 2.02 N ATOM 620 CD2 HIS A 40 -5.047 -14.644 -4.407 1.00 13.35 C ATOM 621 CE1 HIS A 40 -5.806 -15.268 -6.364 1.00 4.52 C ATOM 622 NE2 HIS A 40 -5.621 -15.666 -5.120 1.00 70.51 N ATOM 0 H HIS A 40 -3.862 -9.838 -4.780 1.00 14.42 H new ATOM 0 HA HIS A 40 -6.095 -11.462 -4.156 1.00 41.04 H new ATOM 0 HB2 HIS A 40 -4.323 -11.697 -5.999 1.00 71.42 H new ATOM 0 HB3 HIS A 40 -3.255 -12.339 -4.767 1.00 71.42 H new ATOM 0 HD2 HIS A 40 -4.775 -14.666 -3.362 1.00 13.35 H new ATOM 0 HE1 HIS A 40 -6.242 -15.857 -7.157 1.00 4.52 H new ATOM 0 HE2 HIS A 40 -5.865 -16.584 -4.749 1.00 70.51 H new ATOM 631 N SER A 41 -3.535 -11.563 -2.078 1.00 61.14 N ATOM 632 CA SER A 41 -3.110 -12.002 -0.756 1.00 0.43 C ATOM 633 C SER A 41 -3.843 -11.229 0.341 1.00 55.54 C ATOM 634 O SER A 41 -3.873 -11.656 1.495 1.00 12.34 O ATOM 635 CB SER A 41 -1.593 -11.842 -0.605 1.00 24.23 C ATOM 636 OG SER A 41 -1.120 -12.476 0.575 1.00 73.34 O ATOM 0 H SER A 41 -2.860 -10.971 -2.562 1.00 61.14 H new ATOM 0 HA SER A 41 -3.363 -13.057 -0.650 1.00 0.43 H new ATOM 0 HB2 SER A 41 -1.092 -12.268 -1.474 1.00 24.23 H new ATOM 0 HB3 SER A 41 -1.338 -10.783 -0.578 1.00 24.23 H new ATOM 0 HG SER A 41 -0.149 -12.358 0.643 1.00 73.34 H new ATOM 642 N LEU A 42 -4.426 -10.089 -0.028 1.00 62.24 N ATOM 643 CA LEU A 42 -5.194 -9.269 0.908 1.00 3.42 C ATOM 644 C LEU A 42 -6.431 -10.033 1.370 1.00 4.52 C ATOM 645 O LEU A 42 -7.000 -9.744 2.423 1.00 63.31 O ATOM 646 CB LEU A 42 -5.605 -7.954 0.226 1.00 13.34 C ATOM 647 CG LEU A 42 -5.585 -6.693 1.101 1.00 31.34 C ATOM 648 CD1 LEU A 42 -5.922 -5.477 0.261 1.00 25.12 C ATOM 649 CD2 LEU A 42 -6.560 -6.801 2.261 1.00 31.41 C ATOM 0 H LEU A 42 -4.380 -9.711 -0.974 1.00 62.24 H new ATOM 0 HA LEU A 42 -4.578 -9.039 1.778 1.00 3.42 H new ATOM 0 HB2 LEU A 42 -4.943 -7.790 -0.624 1.00 13.34 H new ATOM 0 HB3 LEU A 42 -6.612 -8.077 -0.173 1.00 13.34 H new ATOM 0 HG LEU A 42 -4.581 -6.590 1.514 1.00 31.34 H new ATOM 0 HD11 LEU A 42 -5.906 -4.586 0.888 1.00 25.12 H new ATOM 0 HD12 LEU A 42 -5.188 -5.372 -0.538 1.00 25.12 H new ATOM 0 HD13 LEU A 42 -6.915 -5.598 -0.172 1.00 25.12 H new ATOM 0 HD21 LEU A 42 -6.518 -5.890 2.858 1.00 31.41 H new ATOM 0 HD22 LEU A 42 -7.571 -6.936 1.876 1.00 31.41 H new ATOM 0 HD23 LEU A 42 -6.292 -7.655 2.883 1.00 31.41 H new ATOM 661 N LYS A 43 -6.816 -11.024 0.570 1.00 53.24 N ATOM 662 CA LYS A 43 -7.990 -11.848 0.835 1.00 62.40 C ATOM 663 C LYS A 43 -9.269 -11.019 0.736 1.00 14.10 C ATOM 664 O LYS A 43 -9.952 -10.790 1.735 1.00 1.20 O ATOM 665 CB LYS A 43 -7.902 -12.520 2.214 1.00 63.13 C ATOM 666 CG LYS A 43 -6.635 -13.329 2.425 1.00 4.31 C ATOM 667 CD LYS A 43 -6.550 -13.857 3.846 1.00 52.13 C ATOM 668 CE LYS A 43 -5.224 -14.556 4.108 1.00 0.44 C ATOM 669 NZ LYS A 43 -5.011 -15.715 3.202 1.00 72.40 N ATOM 0 H LYS A 43 -6.320 -11.278 -0.284 1.00 53.24 H new ATOM 0 HA LYS A 43 -8.019 -12.630 0.076 1.00 62.40 H new ATOM 0 HB2 LYS A 43 -7.964 -11.753 2.986 1.00 63.13 H new ATOM 0 HB3 LYS A 43 -8.765 -13.174 2.344 1.00 63.13 H new ATOM 0 HG2 LYS A 43 -6.611 -14.162 1.723 1.00 4.31 H new ATOM 0 HG3 LYS A 43 -5.765 -12.708 2.212 1.00 4.31 H new ATOM 0 HD2 LYS A 43 -6.672 -13.033 4.549 1.00 52.13 H new ATOM 0 HD3 LYS A 43 -7.370 -14.553 4.025 1.00 52.13 H new ATOM 0 HE2 LYS A 43 -4.409 -13.844 3.982 1.00 0.44 H new ATOM 0 HE3 LYS A 43 -5.193 -14.896 5.143 1.00 0.44 H new ATOM 0 HZ1 LYS A 43 -4.165 -16.240 3.503 1.00 72.40 H new ATOM 0 HZ2 LYS A 43 -5.840 -16.342 3.240 1.00 72.40 H new ATOM 0 HZ3 LYS A 43 -4.879 -15.375 2.228 1.00 72.40 H new ATOM 683 N PRO A 44 -9.607 -10.540 -0.474 1.00 0.44 N ATOM 684 CA PRO A 44 -10.836 -9.790 -0.690 1.00 72.31 C ATOM 685 C PRO A 44 -12.059 -10.686 -0.558 1.00 1.33 C ATOM 686 O PRO A 44 -12.101 -11.788 -1.107 1.00 70.15 O ATOM 687 CB PRO A 44 -10.704 -9.255 -2.115 1.00 21.42 C ATOM 688 CG PRO A 44 -9.732 -10.160 -2.787 1.00 54.12 C ATOM 689 CD PRO A 44 -8.823 -10.694 -1.713 1.00 41.33 C ATOM 0 HA PRO A 44 -10.970 -8.996 0.045 1.00 72.31 H new ATOM 0 HB2 PRO A 44 -11.666 -9.261 -2.628 1.00 21.42 H new ATOM 0 HB3 PRO A 44 -10.348 -8.225 -2.117 1.00 21.42 H new ATOM 0 HG2 PRO A 44 -10.249 -10.974 -3.296 1.00 54.12 H new ATOM 0 HG3 PRO A 44 -9.162 -9.622 -3.544 1.00 54.12 H new ATOM 0 HD2 PRO A 44 -8.562 -11.737 -1.893 1.00 41.33 H new ATOM 0 HD3 PRO A 44 -7.889 -10.135 -1.666 1.00 41.33 H new ATOM 697 N ILE A 45 -13.050 -10.208 0.170 1.00 21.13 N ATOM 698 CA ILE A 45 -14.223 -11.014 0.475 1.00 71.53 C ATOM 699 C ILE A 45 -15.150 -11.097 -0.733 1.00 1.32 C ATOM 700 O ILE A 45 -15.334 -12.164 -1.315 1.00 42.03 O ATOM 701 CB ILE A 45 -14.994 -10.445 1.683 1.00 55.04 C ATOM 702 CG1 ILE A 45 -14.031 -10.174 2.845 1.00 64.41 C ATOM 703 CG2 ILE A 45 -16.087 -11.415 2.114 1.00 41.44 C ATOM 704 CD1 ILE A 45 -14.684 -9.506 4.037 1.00 74.41 C ATOM 0 H ILE A 45 -13.069 -9.267 0.562 1.00 21.13 H new ATOM 0 HA ILE A 45 -13.875 -12.016 0.727 1.00 71.53 H new ATOM 0 HB ILE A 45 -15.460 -9.504 1.391 1.00 55.04 H new ATOM 0 HG12 ILE A 45 -13.589 -11.117 3.166 1.00 64.41 H new ATOM 0 HG13 ILE A 45 -13.215 -9.545 2.489 1.00 64.41 H new ATOM 0 HG21 ILE A 45 -16.624 -11.002 2.968 1.00 41.44 H new ATOM 0 HG22 ILE A 45 -16.782 -11.570 1.289 1.00 41.44 H new ATOM 0 HG23 ILE A 45 -15.638 -12.368 2.394 1.00 41.44 H new ATOM 0 HD11 ILE A 45 -13.940 -9.347 4.818 1.00 74.41 H new ATOM 0 HD12 ILE A 45 -15.102 -8.546 3.733 1.00 74.41 H new ATOM 0 HD13 ILE A 45 -15.481 -10.143 4.420 1.00 74.41 H new ATOM 716 N SER A 46 -15.718 -9.966 -1.114 1.00 74.11 N ATOM 717 CA SER A 46 -16.620 -9.906 -2.254 1.00 0.52 C ATOM 718 C SER A 46 -15.909 -9.347 -3.485 1.00 32.32 C ATOM 719 O SER A 46 -16.541 -8.838 -4.410 1.00 72.40 O ATOM 720 CB SER A 46 -17.820 -9.035 -1.897 1.00 74.41 C ATOM 721 OG SER A 46 -17.395 -7.819 -1.304 1.00 14.11 O ATOM 0 H SER A 46 -15.570 -9.071 -0.648 1.00 74.11 H new ATOM 0 HA SER A 46 -16.956 -10.915 -2.493 1.00 0.52 H new ATOM 0 HB2 SER A 46 -18.403 -8.824 -2.794 1.00 74.41 H new ATOM 0 HB3 SER A 46 -18.474 -9.572 -1.210 1.00 74.41 H new ATOM 0 HG SER A 46 -18.177 -7.272 -1.083 1.00 14.11 H new ATOM 727 N GLY A 47 -14.586 -9.459 -3.491 1.00 43.41 N ATOM 728 CA GLY A 47 -13.797 -8.867 -4.553 1.00 2.21 C ATOM 729 C GLY A 47 -13.329 -7.481 -4.173 1.00 14.10 C ATOM 730 O GLY A 47 -12.609 -6.822 -4.922 1.00 62.45 O ATOM 0 H GLY A 47 -14.046 -9.950 -2.778 1.00 43.41 H new ATOM 0 HA2 GLY A 47 -12.935 -9.500 -4.767 1.00 2.21 H new ATOM 0 HA3 GLY A 47 -14.390 -8.817 -5.466 1.00 2.21 H new ATOM 734 N PHE A 48 -13.758 -7.040 -2.997 1.00 35.41 N ATOM 735 CA PHE A 48 -13.352 -5.755 -2.452 1.00 4.31 C ATOM 736 C PHE A 48 -12.784 -5.953 -1.054 1.00 71.53 C ATOM 737 O PHE A 48 -12.897 -7.040 -0.478 1.00 21.42 O ATOM 738 CB PHE A 48 -14.543 -4.794 -2.388 1.00 73.04 C ATOM 739 CG PHE A 48 -15.253 -4.617 -3.698 1.00 43.31 C ATOM 740 CD1 PHE A 48 -14.724 -3.802 -4.686 1.00 1.40 C ATOM 741 CD2 PHE A 48 -16.449 -5.269 -3.941 1.00 12.15 C ATOM 742 CE1 PHE A 48 -15.375 -3.645 -5.894 1.00 11.42 C ATOM 743 CE2 PHE A 48 -17.104 -5.117 -5.147 1.00 31.42 C ATOM 744 CZ PHE A 48 -16.569 -4.304 -6.124 1.00 44.22 C ATOM 0 H PHE A 48 -14.396 -7.563 -2.397 1.00 35.41 H new ATOM 0 HA PHE A 48 -12.591 -5.325 -3.103 1.00 4.31 H new ATOM 0 HB2 PHE A 48 -15.254 -5.161 -1.647 1.00 73.04 H new ATOM 0 HB3 PHE A 48 -14.194 -3.821 -2.041 1.00 73.04 H new ATOM 0 HD1 PHE A 48 -13.793 -3.284 -4.510 1.00 1.40 H new ATOM 0 HD2 PHE A 48 -16.875 -5.904 -3.179 1.00 12.15 H new ATOM 0 HE1 PHE A 48 -14.952 -3.009 -6.658 1.00 11.42 H new ATOM 0 HE2 PHE A 48 -18.035 -5.635 -5.325 1.00 31.42 H new ATOM 0 HZ PHE A 48 -17.081 -4.182 -7.067 1.00 44.22 H new ATOM 754 N ILE A 49 -12.180 -4.909 -0.515 1.00 24.31 N ATOM 755 CA ILE A 49 -11.619 -4.955 0.827 1.00 4.43 C ATOM 756 C ILE A 49 -12.126 -3.773 1.638 1.00 1.01 C ATOM 757 O ILE A 49 -12.946 -2.991 1.158 1.00 74.43 O ATOM 758 CB ILE A 49 -10.064 -4.957 0.843 1.00 10.30 C ATOM 759 CG1 ILE A 49 -9.470 -3.632 0.318 1.00 22.40 C ATOM 760 CG2 ILE A 49 -9.529 -6.138 0.047 1.00 3.54 C ATOM 761 CD1 ILE A 49 -9.730 -3.348 -1.150 1.00 51.31 C ATOM 0 H ILE A 49 -12.064 -4.013 -0.988 1.00 24.31 H new ATOM 0 HA ILE A 49 -11.947 -5.896 1.268 1.00 4.43 H new ATOM 0 HB ILE A 49 -9.750 -5.056 1.882 1.00 10.30 H new ATOM 0 HG12 ILE A 49 -9.876 -2.811 0.909 1.00 22.40 H new ATOM 0 HG13 ILE A 49 -8.393 -3.643 0.485 1.00 22.40 H new ATOM 0 HG21 ILE A 49 -8.439 -6.126 0.067 1.00 3.54 H new ATOM 0 HG22 ILE A 49 -9.890 -7.067 0.488 1.00 3.54 H new ATOM 0 HG23 ILE A 49 -9.874 -6.068 -0.985 1.00 3.54 H new ATOM 0 HD11 ILE A 49 -9.274 -2.396 -1.423 1.00 51.31 H new ATOM 0 HD12 ILE A 49 -9.299 -4.144 -1.757 1.00 51.31 H new ATOM 0 HD13 ILE A 49 -10.805 -3.299 -1.326 1.00 51.31 H new ATOM 773 N THR A 50 -11.642 -3.647 2.860 1.00 44.24 N ATOM 774 CA THR A 50 -12.048 -2.563 3.729 1.00 5.42 C ATOM 775 C THR A 50 -10.896 -2.201 4.667 1.00 73.31 C ATOM 776 O THR A 50 -9.820 -2.802 4.589 1.00 74.10 O ATOM 777 CB THR A 50 -13.314 -2.940 4.540 1.00 63.25 C ATOM 778 OG1 THR A 50 -13.788 -1.818 5.297 1.00 31.25 O ATOM 779 CG2 THR A 50 -13.040 -4.104 5.479 1.00 15.20 C ATOM 0 H THR A 50 -10.964 -4.287 3.273 1.00 44.24 H new ATOM 0 HA THR A 50 -12.297 -1.698 3.115 1.00 5.42 H new ATOM 0 HB THR A 50 -14.080 -3.239 3.825 1.00 63.25 H new ATOM 0 HG1 THR A 50 -14.588 -2.077 5.800 1.00 31.25 H new ATOM 0 HG21 THR A 50 -13.947 -4.345 6.034 1.00 15.20 H new ATOM 0 HG22 THR A 50 -12.727 -4.973 4.900 1.00 15.20 H new ATOM 0 HG23 THR A 50 -12.249 -3.830 6.177 1.00 15.20 H new ATOM 787 N GLY A 51 -11.133 -1.245 5.560 1.00 22.22 N ATOM 788 CA GLY A 51 -10.093 -0.768 6.452 1.00 42.13 C ATOM 789 C GLY A 51 -9.528 -1.866 7.332 1.00 34.55 C ATOM 790 O GLY A 51 -8.314 -1.993 7.468 1.00 71.34 O ATOM 0 H GLY A 51 -12.037 -0.788 5.682 1.00 22.22 H new ATOM 0 HA2 GLY A 51 -9.288 -0.330 5.863 1.00 42.13 H new ATOM 0 HA3 GLY A 51 -10.496 0.025 7.082 1.00 42.13 H new ATOM 794 N ASP A 52 -10.410 -2.663 7.925 1.00 31.22 N ATOM 795 CA ASP A 52 -9.992 -3.762 8.794 1.00 12.32 C ATOM 796 C ASP A 52 -9.190 -4.809 8.020 1.00 63.01 C ATOM 797 O ASP A 52 -8.233 -5.381 8.543 1.00 0.11 O ATOM 798 CB ASP A 52 -11.207 -4.409 9.458 1.00 41.11 C ATOM 799 CG ASP A 52 -10.827 -5.542 10.391 1.00 44.44 C ATOM 800 OD1 ASP A 52 -10.259 -5.267 11.470 1.00 74.34 O ATOM 801 OD2 ASP A 52 -11.107 -6.713 10.053 1.00 64.20 O ATOM 0 H ASP A 52 -11.420 -2.570 7.821 1.00 31.22 H new ATOM 0 HA ASP A 52 -9.346 -3.348 9.568 1.00 12.32 H new ATOM 0 HB2 ASP A 52 -11.757 -3.652 10.017 1.00 41.11 H new ATOM 0 HB3 ASP A 52 -11.879 -4.787 8.688 1.00 41.11 H new ATOM 806 N GLN A 53 -9.568 -5.047 6.770 1.00 72.24 N ATOM 807 CA GLN A 53 -8.838 -5.985 5.924 1.00 13.34 C ATOM 808 C GLN A 53 -7.428 -5.477 5.655 1.00 2.10 C ATOM 809 O GLN A 53 -6.460 -6.225 5.778 1.00 72.21 O ATOM 810 CB GLN A 53 -9.574 -6.222 4.605 1.00 54.23 C ATOM 811 CG GLN A 53 -10.822 -7.070 4.756 1.00 74.30 C ATOM 812 CD GLN A 53 -10.517 -8.502 5.162 1.00 75.30 C ATOM 813 OE1 GLN A 53 -9.400 -9.038 4.688 1.00 34.34 O flip ATOM 814 NE2 GLN A 53 -11.292 -9.131 5.880 1.00 74.55 N flip ATOM 0 H GLN A 53 -10.371 -4.607 6.321 1.00 72.24 H new ATOM 0 HA GLN A 53 -8.774 -6.935 6.455 1.00 13.34 H new ATOM 0 HB2 GLN A 53 -9.848 -5.260 4.172 1.00 54.23 H new ATOM 0 HB3 GLN A 53 -8.897 -6.707 3.902 1.00 54.23 H new ATOM 0 HG2 GLN A 53 -11.475 -6.617 5.502 1.00 74.30 H new ATOM 0 HG3 GLN A 53 -11.369 -7.073 3.813 1.00 74.30 H new ATOM 0 HE21 GLN A 53 -12.142 -8.686 6.226 1.00 74.55 H new ATOM 0 HE22 GLN A 53 -11.085 -10.098 6.130 1.00 74.55 H new ATOM 823 N ALA A 54 -7.317 -4.203 5.304 1.00 50.12 N ATOM 824 CA ALA A 54 -6.016 -3.575 5.116 1.00 1.15 C ATOM 825 C ALA A 54 -5.220 -3.613 6.414 1.00 51.42 C ATOM 826 O ALA A 54 -4.036 -3.927 6.426 1.00 20.03 O ATOM 827 CB ALA A 54 -6.185 -2.139 4.655 1.00 53.21 C ATOM 0 H ALA A 54 -8.112 -3.584 5.144 1.00 50.12 H new ATOM 0 HA ALA A 54 -5.472 -4.129 4.351 1.00 1.15 H new ATOM 0 HB1 ALA A 54 -5.204 -1.683 4.519 1.00 53.21 H new ATOM 0 HB2 ALA A 54 -6.728 -2.122 3.710 1.00 53.21 H new ATOM 0 HB3 ALA A 54 -6.744 -1.580 5.405 1.00 53.21 H new ATOM 833 N ARG A 55 -5.908 -3.301 7.498 1.00 71.41 N ATOM 834 CA ARG A 55 -5.338 -3.308 8.841 1.00 22.22 C ATOM 835 C ARG A 55 -4.657 -4.640 9.153 1.00 32.14 C ATOM 836 O ARG A 55 -3.569 -4.672 9.733 1.00 74.14 O ATOM 837 CB ARG A 55 -6.473 -3.035 9.830 1.00 1.52 C ATOM 838 CG ARG A 55 -6.089 -3.021 11.297 1.00 12.21 C ATOM 839 CD ARG A 55 -7.346 -2.945 12.150 1.00 31.30 C ATOM 840 NE ARG A 55 -7.064 -2.794 13.572 1.00 31.02 N ATOM 841 CZ ARG A 55 -7.877 -3.229 14.533 1.00 4.40 C ATOM 842 NH1 ARG A 55 -8.967 -3.920 14.219 1.00 44.43 N ATOM 843 NH2 ARG A 55 -7.596 -2.985 15.804 1.00 64.01 N ATOM 0 H ARG A 55 -6.891 -3.032 7.474 1.00 71.41 H new ATOM 0 HA ARG A 55 -4.570 -2.538 8.919 1.00 22.22 H new ATOM 0 HB2 ARG A 55 -6.920 -2.072 9.583 1.00 1.52 H new ATOM 0 HB3 ARG A 55 -7.245 -3.791 9.684 1.00 1.52 H new ATOM 0 HG2 ARG A 55 -5.523 -3.919 11.544 1.00 12.21 H new ATOM 0 HG3 ARG A 55 -5.443 -2.169 11.506 1.00 12.21 H new ATOM 0 HD2 ARG A 55 -7.955 -2.105 11.815 1.00 31.30 H new ATOM 0 HD3 ARG A 55 -7.937 -3.848 11.997 1.00 31.30 H new ATOM 0 HE ARG A 55 -6.198 -2.330 13.846 1.00 31.02 H new ATOM 0 HH11 ARG A 55 -9.182 -4.118 13.242 1.00 44.43 H new ATOM 0 HH12 ARG A 55 -9.589 -4.253 14.955 1.00 44.43 H new ATOM 0 HH21 ARG A 55 -6.755 -2.463 16.049 1.00 64.01 H new ATOM 0 HH22 ARG A 55 -8.221 -3.319 16.538 1.00 64.01 H new ATOM 857 N ASN A 56 -5.302 -5.731 8.768 1.00 33.35 N ATOM 858 CA ASN A 56 -4.755 -7.062 8.982 1.00 45.12 C ATOM 859 C ASN A 56 -3.639 -7.367 7.992 1.00 11.25 C ATOM 860 O ASN A 56 -2.561 -7.805 8.386 1.00 1.44 O ATOM 861 CB ASN A 56 -5.857 -8.116 8.890 1.00 32.02 C ATOM 862 CG ASN A 56 -6.656 -8.223 10.173 1.00 72.32 C ATOM 863 OD1 ASN A 56 -6.332 -9.016 11.054 1.00 41.24 O ATOM 864 ND2 ASN A 56 -7.703 -7.425 10.294 1.00 61.31 N ATOM 0 H ASN A 56 -6.210 -5.720 8.303 1.00 33.35 H new ATOM 0 HA ASN A 56 -4.329 -7.091 9.985 1.00 45.12 H new ATOM 0 HB2 ASN A 56 -6.527 -7.868 8.067 1.00 32.02 H new ATOM 0 HB3 ASN A 56 -5.413 -9.084 8.659 1.00 32.02 H new ATOM 0 HD21 ASN A 56 -8.272 -7.455 11.140 1.00 61.31 H new ATOM 0 HD22 ASN A 56 -7.942 -6.779 9.541 1.00 61.31 H new ATOM 871 N PHE A 57 -3.895 -7.113 6.710 1.00 61.45 N ATOM 872 CA PHE A 57 -2.917 -7.385 5.660 1.00 43.04 C ATOM 873 C PHE A 57 -1.610 -6.633 5.896 1.00 52.23 C ATOM 874 O PHE A 57 -0.527 -7.216 5.807 1.00 34.23 O ATOM 875 CB PHE A 57 -3.483 -7.024 4.287 1.00 1.44 C ATOM 876 CG PHE A 57 -2.510 -7.283 3.180 1.00 72.35 C ATOM 877 CD1 PHE A 57 -2.408 -8.538 2.604 1.00 32.05 C ATOM 878 CD2 PHE A 57 -1.680 -6.276 2.733 1.00 61.13 C ATOM 879 CE1 PHE A 57 -1.494 -8.778 1.597 1.00 35.34 C ATOM 880 CE2 PHE A 57 -0.765 -6.510 1.734 1.00 54.21 C ATOM 881 CZ PHE A 57 -0.671 -7.760 1.160 1.00 54.01 C ATOM 0 H PHE A 57 -4.773 -6.718 6.374 1.00 61.45 H new ATOM 0 HA PHE A 57 -2.703 -8.453 5.689 1.00 43.04 H new ATOM 0 HB2 PHE A 57 -4.392 -7.599 4.110 1.00 1.44 H new ATOM 0 HB3 PHE A 57 -3.765 -5.971 4.279 1.00 1.44 H new ATOM 0 HD1 PHE A 57 -3.049 -9.337 2.946 1.00 32.05 H new ATOM 0 HD2 PHE A 57 -1.750 -5.292 3.173 1.00 61.13 H new ATOM 0 HE1 PHE A 57 -1.423 -9.760 1.153 1.00 35.34 H new ATOM 0 HE2 PHE A 57 -0.118 -5.713 1.398 1.00 54.21 H new ATOM 0 HZ PHE A 57 0.044 -7.942 0.371 1.00 54.01 H new ATOM 891 N PHE A 58 -1.710 -5.347 6.204 1.00 32.41 N ATOM 892 CA PHE A 58 -0.529 -4.524 6.419 1.00 42.23 C ATOM 893 C PHE A 58 0.309 -5.083 7.567 1.00 61.54 C ATOM 894 O PHE A 58 1.533 -5.175 7.472 1.00 63.11 O ATOM 895 CB PHE A 58 -0.937 -3.076 6.705 1.00 53.31 C ATOM 896 CG PHE A 58 -1.269 -2.270 5.476 1.00 33.24 C ATOM 897 CD1 PHE A 58 -2.075 -2.788 4.476 1.00 72.43 C ATOM 898 CD2 PHE A 58 -0.773 -0.984 5.328 1.00 0.41 C ATOM 899 CE1 PHE A 58 -2.385 -2.042 3.355 1.00 12.22 C ATOM 900 CE2 PHE A 58 -1.078 -0.232 4.208 1.00 42.32 C ATOM 901 CZ PHE A 58 -1.884 -0.762 3.220 1.00 2.52 C ATOM 0 H PHE A 58 -2.596 -4.852 6.310 1.00 32.41 H new ATOM 0 HA PHE A 58 0.077 -4.540 5.513 1.00 42.23 H new ATOM 0 HB2 PHE A 58 -1.802 -3.079 7.368 1.00 53.31 H new ATOM 0 HB3 PHE A 58 -0.127 -2.582 7.241 1.00 53.31 H new ATOM 0 HD1 PHE A 58 -2.467 -3.790 4.574 1.00 72.43 H new ATOM 0 HD2 PHE A 58 -0.141 -0.564 6.096 1.00 0.41 H new ATOM 0 HE1 PHE A 58 -3.018 -2.459 2.586 1.00 12.22 H new ATOM 0 HE2 PHE A 58 -0.686 0.769 4.106 1.00 42.32 H new ATOM 0 HZ PHE A 58 -2.122 -0.177 2.344 1.00 2.52 H new ATOM 911 N PHE A 59 -0.364 -5.496 8.634 1.00 22.01 N ATOM 912 CA PHE A 59 0.317 -6.035 9.802 1.00 4.20 C ATOM 913 C PHE A 59 0.902 -7.410 9.488 1.00 24.31 C ATOM 914 O PHE A 59 1.979 -7.769 9.964 1.00 45.15 O ATOM 915 CB PHE A 59 -0.659 -6.132 10.978 1.00 34.44 C ATOM 916 CG PHE A 59 0.003 -6.420 12.292 1.00 53.42 C ATOM 917 CD1 PHE A 59 0.715 -5.429 12.942 1.00 23.01 C ATOM 918 CD2 PHE A 59 -0.093 -7.671 12.881 1.00 34.21 C ATOM 919 CE1 PHE A 59 1.325 -5.678 14.155 1.00 71.21 C ATOM 920 CE2 PHE A 59 0.516 -7.927 14.095 1.00 43.11 C ATOM 921 CZ PHE A 59 1.225 -6.929 14.733 1.00 1.34 C ATOM 0 H PHE A 59 -1.380 -5.468 8.713 1.00 22.01 H new ATOM 0 HA PHE A 59 1.133 -5.365 10.073 1.00 4.20 H new ATOM 0 HB2 PHE A 59 -1.211 -5.196 11.058 1.00 34.44 H new ATOM 0 HB3 PHE A 59 -1.388 -6.915 10.770 1.00 34.44 H new ATOM 0 HD1 PHE A 59 0.795 -4.449 12.496 1.00 23.01 H new ATOM 0 HD2 PHE A 59 -0.649 -8.454 12.386 1.00 34.21 H new ATOM 0 HE1 PHE A 59 1.880 -4.896 14.652 1.00 71.21 H new ATOM 0 HE2 PHE A 59 0.437 -8.906 14.544 1.00 43.11 H new ATOM 0 HZ PHE A 59 1.701 -7.126 15.682 1.00 1.34 H new ATOM 931 N GLN A 60 0.186 -8.161 8.658 1.00 53.33 N ATOM 932 CA GLN A 60 0.599 -9.500 8.261 1.00 72.34 C ATOM 933 C GLN A 60 1.844 -9.438 7.382 1.00 20.42 C ATOM 934 O GLN A 60 2.601 -10.406 7.288 1.00 73.33 O ATOM 935 CB GLN A 60 -0.558 -10.186 7.523 1.00 71.04 C ATOM 936 CG GLN A 60 -0.292 -11.631 7.133 1.00 40.32 C ATOM 937 CD GLN A 60 -0.024 -11.800 5.648 1.00 63.13 C ATOM 938 OE1 GLN A 60 -0.947 -12.004 4.862 1.00 63.43 O ATOM 939 NE2 GLN A 60 1.237 -11.715 5.253 1.00 11.10 N ATOM 0 H GLN A 60 -0.695 -7.858 8.243 1.00 53.33 H new ATOM 0 HA GLN A 60 0.850 -10.080 9.149 1.00 72.34 H new ATOM 0 HB2 GLN A 60 -1.446 -10.151 8.155 1.00 71.04 H new ATOM 0 HB3 GLN A 60 -0.785 -9.616 6.622 1.00 71.04 H new ATOM 0 HG2 GLN A 60 0.564 -12.003 7.697 1.00 40.32 H new ATOM 0 HG3 GLN A 60 -1.149 -12.242 7.415 1.00 40.32 H new ATOM 0 HE21 GLN A 60 1.975 -11.545 5.936 1.00 11.10 H new ATOM 0 HE22 GLN A 60 1.470 -11.820 4.266 1.00 11.10 H new ATOM 948 N SER A 61 2.060 -8.288 6.759 1.00 4.32 N ATOM 949 CA SER A 61 3.192 -8.098 5.865 1.00 35.40 C ATOM 950 C SER A 61 4.507 -8.060 6.643 1.00 52.42 C ATOM 951 O SER A 61 5.576 -8.277 6.075 1.00 24.22 O ATOM 952 CB SER A 61 3.006 -6.811 5.056 1.00 22.11 C ATOM 953 OG SER A 61 1.803 -6.856 4.301 1.00 11.23 O ATOM 0 H SER A 61 1.461 -7.468 6.858 1.00 4.32 H new ATOM 0 HA SER A 61 3.237 -8.944 5.179 1.00 35.40 H new ATOM 0 HB2 SER A 61 2.986 -5.954 5.729 1.00 22.11 H new ATOM 0 HB3 SER A 61 3.855 -6.671 4.387 1.00 22.11 H new ATOM 0 HG SER A 61 1.037 -6.921 4.909 1.00 11.23 H new ATOM 959 N GLY A 62 4.421 -7.808 7.947 1.00 23.11 N ATOM 960 CA GLY A 62 5.612 -7.802 8.778 1.00 20.50 C ATOM 961 C GLY A 62 6.081 -6.404 9.124 1.00 41.41 C ATOM 962 O GLY A 62 7.248 -6.197 9.457 1.00 13.12 O ATOM 0 H GLY A 62 3.551 -7.609 8.441 1.00 23.11 H new ATOM 0 HA2 GLY A 62 5.410 -8.350 9.698 1.00 20.50 H new ATOM 0 HA3 GLY A 62 6.413 -8.331 8.261 1.00 20.50 H new ATOM 966 N LEU A 63 5.177 -5.443 9.044 1.00 32.03 N ATOM 967 CA LEU A 63 5.496 -4.067 9.393 1.00 31.33 C ATOM 968 C LEU A 63 4.761 -3.657 10.660 1.00 74.44 C ATOM 969 O LEU A 63 3.631 -4.088 10.896 1.00 52.15 O ATOM 970 CB LEU A 63 5.128 -3.125 8.242 1.00 31.22 C ATOM 971 CG LEU A 63 6.004 -3.242 6.994 1.00 12.52 C ATOM 972 CD1 LEU A 63 5.452 -2.377 5.870 1.00 41.33 C ATOM 973 CD2 LEU A 63 7.434 -2.840 7.315 1.00 50.31 C ATOM 0 H LEU A 63 4.214 -5.589 8.740 1.00 32.03 H new ATOM 0 HA LEU A 63 6.569 -3.997 9.573 1.00 31.33 H new ATOM 0 HB2 LEU A 63 4.093 -3.313 7.958 1.00 31.22 H new ATOM 0 HB3 LEU A 63 5.177 -2.098 8.605 1.00 31.22 H new ATOM 0 HG LEU A 63 5.998 -4.281 6.664 1.00 12.52 H new ATOM 0 HD11 LEU A 63 6.089 -2.473 4.991 1.00 41.33 H new ATOM 0 HD12 LEU A 63 4.441 -2.702 5.624 1.00 41.33 H new ATOM 0 HD13 LEU A 63 5.430 -1.335 6.190 1.00 41.33 H new ATOM 0 HD21 LEU A 63 8.047 -2.928 6.418 1.00 50.31 H new ATOM 0 HD22 LEU A 63 7.452 -1.809 7.667 1.00 50.31 H new ATOM 0 HD23 LEU A 63 7.831 -3.495 8.091 1.00 50.31 H new ATOM 985 N PRO A 64 5.404 -2.842 11.508 1.00 70.33 N ATOM 986 CA PRO A 64 4.782 -2.313 12.723 1.00 70.02 C ATOM 987 C PRO A 64 3.629 -1.361 12.406 1.00 63.41 C ATOM 988 O PRO A 64 3.610 -0.726 11.350 1.00 72.01 O ATOM 989 CB PRO A 64 5.921 -1.561 13.426 1.00 31.22 C ATOM 990 CG PRO A 64 7.174 -2.047 12.778 1.00 12.52 C ATOM 991 CD PRO A 64 6.796 -2.395 11.368 1.00 65.02 C ATOM 0 HA PRO A 64 4.347 -3.105 13.334 1.00 70.02 H new ATOM 0 HB2 PRO A 64 5.811 -0.483 13.310 1.00 31.22 H new ATOM 0 HB3 PRO A 64 5.926 -1.767 14.496 1.00 31.22 H new ATOM 0 HG2 PRO A 64 7.948 -1.279 12.797 1.00 12.52 H new ATOM 0 HG3 PRO A 64 7.574 -2.916 13.302 1.00 12.52 H new ATOM 0 HD2 PRO A 64 6.880 -1.536 10.702 1.00 65.02 H new ATOM 0 HD3 PRO A 64 7.434 -3.179 10.959 1.00 65.02 H new ATOM 999 N GLN A 65 2.684 -1.256 13.331 1.00 34.51 N ATOM 1000 CA GLN A 65 1.476 -0.455 13.131 1.00 22.51 C ATOM 1001 C GLN A 65 1.777 1.022 12.801 1.00 15.22 C ATOM 1002 O GLN A 65 1.179 1.567 11.872 1.00 44.21 O ATOM 1003 CB GLN A 65 0.565 -0.568 14.354 1.00 72.54 C ATOM 1004 CG GLN A 65 -0.783 0.103 14.178 1.00 71.11 C ATOM 1005 CD GLN A 65 -1.740 -0.246 15.293 1.00 74.21 C ATOM 1006 OE1 GLN A 65 -2.489 -1.219 15.202 1.00 20.43 O ATOM 1007 NE2 GLN A 65 -1.722 0.538 16.353 1.00 72.13 N ATOM 0 H GLN A 65 2.729 -1.720 14.238 1.00 34.51 H new ATOM 0 HA GLN A 65 0.963 -0.860 12.259 1.00 22.51 H new ATOM 0 HB2 GLN A 65 0.408 -1.622 14.582 1.00 72.54 H new ATOM 0 HB3 GLN A 65 1.070 -0.127 15.213 1.00 72.54 H new ATOM 0 HG2 GLN A 65 -0.648 1.184 14.142 1.00 71.11 H new ATOM 0 HG3 GLN A 65 -1.215 -0.196 13.223 1.00 71.11 H new ATOM 0 HE21 GLN A 65 -1.085 1.334 16.388 1.00 72.13 H new ATOM 0 HE22 GLN A 65 -2.345 0.348 17.138 1.00 72.13 H new ATOM 1016 N PRO A 66 2.692 1.705 13.536 1.00 32.05 N ATOM 1017 CA PRO A 66 3.082 3.090 13.210 1.00 5.53 C ATOM 1018 C PRO A 66 3.627 3.215 11.784 1.00 10.41 C ATOM 1019 O PRO A 66 3.578 4.284 11.170 1.00 10.21 O ATOM 1020 CB PRO A 66 4.173 3.425 14.238 1.00 22.12 C ATOM 1021 CG PRO A 66 4.592 2.113 14.812 1.00 75.41 C ATOM 1022 CD PRO A 66 3.384 1.227 14.744 1.00 63.51 C ATOM 0 HA PRO A 66 2.230 3.769 13.253 1.00 5.53 H new ATOM 0 HB2 PRO A 66 5.014 3.934 13.767 1.00 22.12 H new ATOM 0 HB3 PRO A 66 3.792 4.089 15.013 1.00 22.12 H new ATOM 0 HG2 PRO A 66 5.421 1.687 14.247 1.00 75.41 H new ATOM 0 HG3 PRO A 66 4.934 2.228 15.841 1.00 75.41 H new ATOM 0 HD2 PRO A 66 3.659 0.175 14.663 1.00 63.51 H new ATOM 0 HD3 PRO A 66 2.760 1.326 15.632 1.00 63.51 H new ATOM 1030 N VAL A 67 4.134 2.111 11.258 1.00 70.12 N ATOM 1031 CA VAL A 67 4.631 2.066 9.891 1.00 44.10 C ATOM 1032 C VAL A 67 3.468 1.902 8.920 1.00 74.30 C ATOM 1033 O VAL A 67 3.441 2.520 7.852 1.00 72.20 O ATOM 1034 CB VAL A 67 5.639 0.908 9.706 1.00 24.03 C ATOM 1035 CG1 VAL A 67 6.032 0.737 8.245 1.00 44.44 C ATOM 1036 CG2 VAL A 67 6.871 1.143 10.564 1.00 54.03 C ATOM 0 H VAL A 67 4.213 1.227 11.761 1.00 70.12 H new ATOM 0 HA VAL A 67 5.146 3.004 9.684 1.00 44.10 H new ATOM 0 HB VAL A 67 5.153 -0.014 10.027 1.00 24.03 H new ATOM 0 HG11 VAL A 67 6.741 -0.085 8.153 1.00 44.44 H new ATOM 0 HG12 VAL A 67 5.144 0.518 7.652 1.00 44.44 H new ATOM 0 HG13 VAL A 67 6.493 1.656 7.882 1.00 44.44 H new ATOM 0 HG21 VAL A 67 7.573 0.321 10.425 1.00 54.03 H new ATOM 0 HG22 VAL A 67 7.346 2.079 10.270 1.00 54.03 H new ATOM 0 HG23 VAL A 67 6.579 1.197 11.613 1.00 54.03 H new ATOM 1046 N LEU A 68 2.503 1.087 9.325 1.00 33.42 N ATOM 1047 CA LEU A 68 1.312 0.808 8.528 1.00 22.21 C ATOM 1048 C LEU A 68 0.489 2.065 8.318 1.00 61.54 C ATOM 1049 O LEU A 68 0.115 2.399 7.194 1.00 13.33 O ATOM 1050 CB LEU A 68 0.446 -0.231 9.236 1.00 1.10 C ATOM 1051 CG LEU A 68 1.166 -1.516 9.631 1.00 34.23 C ATOM 1052 CD1 LEU A 68 0.196 -2.499 10.263 1.00 50.42 C ATOM 1053 CD2 LEU A 68 1.863 -2.133 8.431 1.00 73.43 C ATOM 0 H LEU A 68 2.523 0.598 10.220 1.00 33.42 H new ATOM 0 HA LEU A 68 1.639 0.431 7.559 1.00 22.21 H new ATOM 0 HB2 LEU A 68 0.025 0.221 10.134 1.00 1.10 H new ATOM 0 HB3 LEU A 68 -0.391 -0.487 8.586 1.00 1.10 H new ATOM 0 HG LEU A 68 1.928 -1.270 10.371 1.00 34.23 H new ATOM 0 HD11 LEU A 68 0.728 -3.410 10.538 1.00 50.42 H new ATOM 0 HD12 LEU A 68 -0.245 -2.053 11.155 1.00 50.42 H new ATOM 0 HD13 LEU A 68 -0.593 -2.741 9.551 1.00 50.42 H new ATOM 0 HD21 LEU A 68 2.370 -3.048 8.736 1.00 73.43 H new ATOM 0 HD22 LEU A 68 1.126 -2.365 7.662 1.00 73.43 H new ATOM 0 HD23 LEU A 68 2.594 -1.429 8.033 1.00 73.43 H new ATOM 1065 N ALA A 69 0.215 2.749 9.421 1.00 1.03 N ATOM 1066 CA ALA A 69 -0.595 3.962 9.412 1.00 61.50 C ATOM 1067 C ALA A 69 -0.046 5.002 8.445 1.00 24.54 C ATOM 1068 O ALA A 69 -0.807 5.705 7.783 1.00 44.10 O ATOM 1069 CB ALA A 69 -0.682 4.545 10.813 1.00 33.04 C ATOM 0 H ALA A 69 0.547 2.480 10.347 1.00 1.03 H new ATOM 0 HA ALA A 69 -1.594 3.689 9.071 1.00 61.50 H new ATOM 0 HB1 ALA A 69 -1.289 5.450 10.793 1.00 33.04 H new ATOM 0 HB2 ALA A 69 -1.139 3.816 11.483 1.00 33.04 H new ATOM 0 HB3 ALA A 69 0.319 4.787 11.169 1.00 33.04 H new ATOM 1075 N GLN A 70 1.278 5.084 8.356 1.00 23.21 N ATOM 1076 CA GLN A 70 1.929 6.025 7.464 1.00 41.34 C ATOM 1077 C GLN A 70 1.680 5.659 6.004 1.00 14.53 C ATOM 1078 O GLN A 70 1.495 6.532 5.159 1.00 4.01 O ATOM 1079 CB GLN A 70 3.426 6.060 7.753 1.00 64.31 C ATOM 1080 CG GLN A 70 3.841 7.159 8.716 1.00 63.14 C ATOM 1081 CD GLN A 70 3.347 8.527 8.285 1.00 55.40 C ATOM 1082 OE1 GLN A 70 2.260 8.953 8.669 1.00 21.42 O ATOM 1083 NE2 GLN A 70 4.138 9.223 7.482 1.00 3.20 N ATOM 0 H GLN A 70 1.920 4.504 8.896 1.00 23.21 H new ATOM 0 HA GLN A 70 1.506 7.014 7.639 1.00 41.34 H new ATOM 0 HB2 GLN A 70 3.730 5.097 8.163 1.00 64.31 H new ATOM 0 HB3 GLN A 70 3.964 6.190 6.814 1.00 64.31 H new ATOM 0 HG2 GLN A 70 3.453 6.933 9.709 1.00 63.14 H new ATOM 0 HG3 GLN A 70 4.928 7.177 8.795 1.00 63.14 H new ATOM 0 HE21 GLN A 70 5.033 8.834 7.186 1.00 3.20 H new ATOM 0 HE22 GLN A 70 3.852 10.148 7.160 1.00 3.20 H new ATOM 1092 N ILE A 71 1.667 4.362 5.714 1.00 74.53 N ATOM 1093 CA ILE A 71 1.391 3.891 4.362 1.00 74.20 C ATOM 1094 C ILE A 71 -0.067 4.147 4.012 1.00 54.44 C ATOM 1095 O ILE A 71 -0.377 4.687 2.955 1.00 15.51 O ATOM 1096 CB ILE A 71 1.687 2.383 4.201 1.00 22.13 C ATOM 1097 CG1 ILE A 71 3.167 2.100 4.447 1.00 43.25 C ATOM 1098 CG2 ILE A 71 1.284 1.903 2.813 1.00 12.10 C ATOM 1099 CD1 ILE A 71 3.499 0.627 4.546 1.00 53.25 C ATOM 0 H ILE A 71 1.843 3.622 6.393 1.00 74.53 H new ATOM 0 HA ILE A 71 2.047 4.442 3.688 1.00 74.20 H new ATOM 0 HB ILE A 71 1.100 1.839 4.941 1.00 22.13 H new ATOM 0 HG12 ILE A 71 3.751 2.541 3.639 1.00 43.25 H new ATOM 0 HG13 ILE A 71 3.474 2.595 5.369 1.00 43.25 H new ATOM 0 HG21 ILE A 71 1.500 0.839 2.719 1.00 12.10 H new ATOM 0 HG22 ILE A 71 0.217 2.071 2.665 1.00 12.10 H new ATOM 0 HG23 ILE A 71 1.846 2.455 2.060 1.00 12.10 H new ATOM 0 HD11 ILE A 71 4.568 0.506 4.721 1.00 53.25 H new ATOM 0 HD12 ILE A 71 2.943 0.184 5.372 1.00 53.25 H new ATOM 0 HD13 ILE A 71 3.225 0.129 3.616 1.00 53.25 H new ATOM 1111 N TRP A 72 -0.943 3.778 4.934 1.00 41.21 N ATOM 1112 CA TRP A 72 -2.380 3.899 4.744 1.00 40.24 C ATOM 1113 C TRP A 72 -2.794 5.359 4.557 1.00 12.53 C ATOM 1114 O TRP A 72 -3.588 5.670 3.675 1.00 73.54 O ATOM 1115 CB TRP A 72 -3.101 3.281 5.945 1.00 72.23 C ATOM 1116 CG TRP A 72 -4.596 3.302 5.852 1.00 33.21 C ATOM 1117 CD1 TRP A 72 -5.358 3.170 4.727 1.00 71.12 C ATOM 1118 CD2 TRP A 72 -5.508 3.438 6.940 1.00 41.21 C ATOM 1119 NE1 TRP A 72 -6.692 3.231 5.052 1.00 51.52 N ATOM 1120 CE2 TRP A 72 -6.809 3.391 6.407 1.00 53.33 C ATOM 1121 CE3 TRP A 72 -5.349 3.602 8.315 1.00 22.02 C ATOM 1122 CZ2 TRP A 72 -7.943 3.493 7.204 1.00 3.11 C ATOM 1123 CZ3 TRP A 72 -6.477 3.704 9.105 1.00 25.24 C ATOM 1124 CH2 TRP A 72 -7.759 3.648 8.548 1.00 63.31 C ATOM 0 H TRP A 72 -0.677 3.385 5.837 1.00 41.21 H new ATOM 0 HA TRP A 72 -2.662 3.364 3.837 1.00 40.24 H new ATOM 0 HB2 TRP A 72 -2.771 2.248 6.058 1.00 72.23 H new ATOM 0 HB3 TRP A 72 -2.798 3.813 6.847 1.00 72.23 H new ATOM 0 HD1 TRP A 72 -4.970 3.037 3.728 1.00 71.12 H new ATOM 0 HE1 TRP A 72 -7.467 3.168 4.392 1.00 51.52 H new ATOM 0 HE3 TRP A 72 -4.363 3.648 8.754 1.00 22.02 H new ATOM 0 HZ2 TRP A 72 -8.934 3.451 6.776 1.00 3.11 H new ATOM 0 HZ3 TRP A 72 -6.367 3.829 10.172 1.00 25.24 H new ATOM 0 HH2 TRP A 72 -8.621 3.729 9.194 1.00 63.31 H new ATOM 1135 N ALA A 73 -2.230 6.246 5.372 1.00 45.00 N ATOM 1136 CA ALA A 73 -2.579 7.665 5.323 1.00 11.22 C ATOM 1137 C ALA A 73 -2.253 8.271 3.956 1.00 62.42 C ATOM 1138 O ALA A 73 -2.924 9.198 3.497 1.00 32.35 O ATOM 1139 CB ALA A 73 -1.851 8.427 6.420 1.00 51.51 C ATOM 0 H ALA A 73 -1.530 6.009 6.074 1.00 45.00 H new ATOM 0 HA ALA A 73 -3.654 7.750 5.483 1.00 11.22 H new ATOM 0 HB1 ALA A 73 -2.121 9.482 6.371 1.00 51.51 H new ATOM 0 HB2 ALA A 73 -2.135 8.025 7.392 1.00 51.51 H new ATOM 0 HB3 ALA A 73 -0.775 8.321 6.284 1.00 51.51 H new ATOM 1145 N LEU A 74 -1.202 7.751 3.331 1.00 64.33 N ATOM 1146 CA LEU A 74 -0.788 8.178 2.001 1.00 1.24 C ATOM 1147 C LEU A 74 -1.555 7.443 0.910 1.00 61.22 C ATOM 1148 O LEU A 74 -1.801 7.986 -0.170 1.00 63.23 O ATOM 1149 CB LEU A 74 0.703 7.906 1.821 1.00 53.03 C ATOM 1150 CG LEU A 74 1.637 8.942 2.435 1.00 54.33 C ATOM 1151 CD1 LEU A 74 3.086 8.536 2.223 1.00 4.53 C ATOM 1152 CD2 LEU A 74 1.366 10.307 1.827 1.00 33.40 C ATOM 0 H LEU A 74 -0.613 7.021 3.733 1.00 64.33 H new ATOM 0 HA LEU A 74 -0.999 9.244 1.913 1.00 1.24 H new ATOM 0 HB2 LEU A 74 0.932 6.933 2.255 1.00 53.03 H new ATOM 0 HB3 LEU A 74 0.916 7.837 0.754 1.00 53.03 H new ATOM 0 HG LEU A 74 1.452 8.997 3.508 1.00 54.33 H new ATOM 0 HD11 LEU A 74 3.742 9.285 2.666 1.00 4.53 H new ATOM 0 HD12 LEU A 74 3.266 7.570 2.695 1.00 4.53 H new ATOM 0 HD13 LEU A 74 3.290 8.461 1.155 1.00 4.53 H new ATOM 0 HD21 LEU A 74 2.037 11.043 2.270 1.00 33.40 H new ATOM 0 HD22 LEU A 74 1.533 10.266 0.751 1.00 33.40 H new ATOM 0 HD23 LEU A 74 0.333 10.594 2.023 1.00 33.40 H new ATOM 1164 N ALA A 75 -1.920 6.209 1.212 1.00 12.12 N ATOM 1165 CA ALA A 75 -2.510 5.304 0.240 1.00 41.12 C ATOM 1166 C ALA A 75 -3.856 5.795 -0.272 1.00 12.12 C ATOM 1167 O ALA A 75 -4.022 6.002 -1.476 1.00 31.24 O ATOM 1168 CB ALA A 75 -2.655 3.924 0.850 1.00 11.44 C ATOM 0 H ALA A 75 -1.815 5.805 2.142 1.00 12.12 H new ATOM 0 HA ALA A 75 -1.839 5.263 -0.618 1.00 41.12 H new ATOM 0 HB1 ALA A 75 -3.098 3.248 0.119 1.00 11.44 H new ATOM 0 HB2 ALA A 75 -1.674 3.550 1.142 1.00 11.44 H new ATOM 0 HB3 ALA A 75 -3.298 3.980 1.728 1.00 11.44 H new ATOM 1174 N ASP A 76 -4.818 5.982 0.621 1.00 62.41 N ATOM 1175 CA ASP A 76 -6.132 6.391 0.199 1.00 72.32 C ATOM 1176 C ASP A 76 -6.147 7.878 -0.111 1.00 2.31 C ATOM 1177 O ASP A 76 -6.284 8.726 0.766 1.00 4.34 O ATOM 1178 CB ASP A 76 -7.218 6.006 1.220 1.00 62.11 C ATOM 1179 CG ASP A 76 -7.011 6.536 2.631 1.00 11.55 C ATOM 1180 OD1 ASP A 76 -5.923 7.051 2.941 1.00 4.40 O ATOM 1181 OD2 ASP A 76 -7.962 6.440 3.442 1.00 34.33 O ATOM 0 H ASP A 76 -4.707 5.857 1.627 1.00 62.41 H new ATOM 0 HA ASP A 76 -6.372 5.850 -0.716 1.00 72.32 H new ATOM 0 HB2 ASP A 76 -8.180 6.365 0.854 1.00 62.11 H new ATOM 0 HB3 ASP A 76 -7.280 4.919 1.265 1.00 62.11 H new ATOM 1186 N MET A 77 -5.971 8.183 -1.387 1.00 11.03 N ATOM 1187 CA MET A 77 -5.965 9.559 -1.865 1.00 33.01 C ATOM 1188 C MET A 77 -7.291 10.251 -1.558 1.00 31.30 C ATOM 1189 O MET A 77 -7.332 11.461 -1.339 1.00 2.43 O ATOM 1190 CB MET A 77 -5.667 9.595 -3.365 1.00 14.05 C ATOM 1191 CG MET A 77 -4.270 9.096 -3.708 1.00 35.04 C ATOM 1192 SD MET A 77 -3.977 8.986 -5.485 1.00 32.31 S ATOM 1193 CE MET A 77 -5.164 7.721 -5.937 1.00 54.32 C ATOM 0 H MET A 77 -5.829 7.487 -2.119 1.00 11.03 H new ATOM 0 HA MET A 77 -5.178 10.102 -1.341 1.00 33.01 H new ATOM 0 HB2 MET A 77 -6.403 8.986 -3.890 1.00 14.05 H new ATOM 0 HB3 MET A 77 -5.781 10.617 -3.728 1.00 14.05 H new ATOM 0 HG2 MET A 77 -3.532 9.765 -3.264 1.00 35.04 H new ATOM 0 HG3 MET A 77 -4.121 8.114 -3.259 1.00 35.04 H new ATOM 0 HE1 MET A 77 -4.863 7.259 -6.878 1.00 54.32 H new ATOM 0 HE2 MET A 77 -5.202 6.962 -5.156 1.00 54.32 H new ATOM 0 HE3 MET A 77 -6.150 8.172 -6.053 1.00 54.32 H new ATOM 1203 N ASN A 78 -8.369 9.479 -1.526 1.00 54.11 N ATOM 1204 CA ASN A 78 -9.680 10.008 -1.162 1.00 45.32 C ATOM 1205 C ASN A 78 -9.846 10.012 0.356 1.00 52.33 C ATOM 1206 O ASN A 78 -10.767 10.633 0.889 1.00 24.44 O ATOM 1207 CB ASN A 78 -10.793 9.180 -1.815 1.00 2.41 C ATOM 1208 CG ASN A 78 -10.807 7.729 -1.360 1.00 22.53 C ATOM 1209 OD1 ASN A 78 -9.767 7.153 -1.037 1.00 11.32 O ATOM 1210 ND2 ASN A 78 -11.985 7.129 -1.335 1.00 45.11 N ATOM 0 H ASN A 78 -8.363 8.483 -1.748 1.00 54.11 H new ATOM 0 HA ASN A 78 -9.752 11.033 -1.525 1.00 45.32 H new ATOM 0 HB2 ASN A 78 -11.757 9.635 -1.586 1.00 2.41 H new ATOM 0 HB3 ASN A 78 -10.674 9.213 -2.898 1.00 2.41 H new ATOM 0 HD21 ASN A 78 -12.055 6.155 -1.041 1.00 45.11 H new ATOM 0 HD22 ASN A 78 -12.824 7.640 -1.610 1.00 45.11 H new ATOM 1217 N ASN A 79 -8.921 9.328 1.029 1.00 25.33 N ATOM 1218 CA ASN A 79 -8.891 9.210 2.488 1.00 40.40 C ATOM 1219 C ASN A 79 -10.262 8.841 3.044 1.00 32.45 C ATOM 1220 O ASN A 79 -10.874 9.607 3.791 1.00 62.30 O ATOM 1221 CB ASN A 79 -8.374 10.503 3.126 1.00 61.32 C ATOM 1222 CG ASN A 79 -7.978 10.318 4.580 1.00 34.11 C ATOM 1223 OD1 ASN A 79 -7.426 9.159 4.905 1.00 0.31 O flip ATOM 1224 ND2 ASN A 79 -8.152 11.220 5.401 1.00 3.42 N flip ATOM 0 H ASN A 79 -8.158 8.832 0.568 1.00 25.33 H new ATOM 0 HA ASN A 79 -8.203 8.403 2.742 1.00 40.40 H new ATOM 0 HB2 ASN A 79 -7.514 10.864 2.562 1.00 61.32 H new ATOM 0 HB3 ASN A 79 -9.145 11.271 3.058 1.00 61.32 H new ATOM 0 HD21 ASN A 79 -8.581 12.099 5.110 1.00 3.42 H new ATOM 0 HD22 ASN A 79 -7.867 11.088 6.371 1.00 3.42 H new ATOM 1231 N ASP A 80 -10.746 7.670 2.661 1.00 32.24 N ATOM 1232 CA ASP A 80 -12.070 7.224 3.066 1.00 32.25 C ATOM 1233 C ASP A 80 -11.971 6.239 4.222 1.00 11.41 C ATOM 1234 O ASP A 80 -12.954 5.977 4.920 1.00 3.42 O ATOM 1235 CB ASP A 80 -12.797 6.579 1.886 1.00 21.23 C ATOM 1236 CG ASP A 80 -12.418 5.124 1.676 1.00 31.23 C ATOM 1237 OD1 ASP A 80 -11.210 4.815 1.587 1.00 63.15 O ATOM 1238 OD2 ASP A 80 -13.335 4.287 1.596 1.00 3.33 O ATOM 0 H ASP A 80 -10.241 7.010 2.069 1.00 32.24 H new ATOM 0 HA ASP A 80 -12.639 8.093 3.397 1.00 32.25 H new ATOM 0 HB2 ASP A 80 -13.873 6.648 2.048 1.00 21.23 H new ATOM 0 HB3 ASP A 80 -12.574 7.141 0.979 1.00 21.23 H new ATOM 1243 N GLY A 81 -10.781 5.688 4.415 1.00 22.51 N ATOM 1244 CA GLY A 81 -10.561 4.772 5.513 1.00 64.42 C ATOM 1245 C GLY A 81 -10.778 3.318 5.135 1.00 14.45 C ATOM 1246 O GLY A 81 -10.730 2.440 5.996 1.00 13.25 O ATOM 0 H GLY A 81 -9.964 5.860 3.829 1.00 22.51 H new ATOM 0 HA2 GLY A 81 -9.543 4.896 5.882 1.00 64.42 H new ATOM 0 HA3 GLY A 81 -11.231 5.031 6.333 1.00 64.42 H new ATOM 1250 N ARG A 82 -11.037 3.049 3.862 1.00 54.12 N ATOM 1251 CA ARG A 82 -11.218 1.672 3.405 1.00 63.35 C ATOM 1252 C ARG A 82 -10.207 1.326 2.332 1.00 71.31 C ATOM 1253 O ARG A 82 -9.633 0.236 2.339 1.00 71.21 O ATOM 1254 CB ARG A 82 -12.631 1.425 2.857 1.00 61.13 C ATOM 1255 CG ARG A 82 -13.740 1.451 3.899 1.00 31.14 C ATOM 1256 CD ARG A 82 -14.074 2.864 4.344 1.00 15.30 C ATOM 1257 NE ARG A 82 -15.277 2.912 5.169 1.00 52.31 N ATOM 1258 CZ ARG A 82 -16.076 3.971 5.245 1.00 50.10 C ATOM 1259 NH1 ARG A 82 -15.774 5.080 4.576 1.00 71.31 N ATOM 1260 NH2 ARG A 82 -17.169 3.919 5.994 1.00 21.24 N ATOM 0 H ARG A 82 -11.126 3.756 3.132 1.00 54.12 H new ATOM 0 HA ARG A 82 -11.069 1.033 4.276 1.00 63.35 H new ATOM 0 HB2 ARG A 82 -12.847 2.178 2.100 1.00 61.13 H new ATOM 0 HB3 ARG A 82 -12.646 0.457 2.357 1.00 61.13 H new ATOM 0 HG2 ARG A 82 -14.633 0.980 3.489 1.00 31.14 H new ATOM 0 HG3 ARG A 82 -13.438 0.861 4.764 1.00 31.14 H new ATOM 0 HD2 ARG A 82 -13.234 3.275 4.905 1.00 15.30 H new ATOM 0 HD3 ARG A 82 -14.211 3.496 3.467 1.00 15.30 H new ATOM 0 HE ARG A 82 -15.518 2.087 5.718 1.00 52.31 H new ATOM 0 HH11 ARG A 82 -14.930 5.117 4.005 1.00 71.31 H new ATOM 0 HH12 ARG A 82 -16.387 5.893 4.634 1.00 71.31 H new ATOM 0 HH21 ARG A 82 -17.394 3.068 6.509 1.00 21.24 H new ATOM 0 HH22 ARG A 82 -17.785 4.730 6.055 1.00 21.24 H new ATOM 1274 N MET A 83 -9.992 2.280 1.428 1.00 33.45 N ATOM 1275 CA MET A 83 -9.136 2.103 0.251 1.00 25.11 C ATOM 1276 C MET A 83 -9.760 1.150 -0.758 1.00 64.44 C ATOM 1277 O MET A 83 -10.197 0.051 -0.417 1.00 35.13 O ATOM 1278 CB MET A 83 -7.739 1.589 0.613 1.00 74.23 C ATOM 1279 CG MET A 83 -6.913 2.543 1.453 1.00 32.21 C ATOM 1280 SD MET A 83 -5.210 1.980 1.642 1.00 72.44 S ATOM 1281 CE MET A 83 -5.462 0.357 2.349 1.00 35.22 C ATOM 0 H MET A 83 -10.410 3.208 1.491 1.00 33.45 H new ATOM 0 HA MET A 83 -9.039 3.094 -0.192 1.00 25.11 H new ATOM 0 HB2 MET A 83 -7.841 0.647 1.152 1.00 74.23 H new ATOM 0 HB3 MET A 83 -7.196 1.373 -0.307 1.00 74.23 H new ATOM 0 HG2 MET A 83 -6.919 3.530 0.991 1.00 32.21 H new ATOM 0 HG3 MET A 83 -7.371 2.649 2.437 1.00 32.21 H new ATOM 0 HE1 MET A 83 -4.644 0.127 3.032 1.00 35.22 H new ATOM 0 HE2 MET A 83 -6.406 0.340 2.894 1.00 35.22 H new ATOM 0 HE3 MET A 83 -5.490 -0.387 1.552 1.00 35.22 H new ATOM 1291 N ASP A 84 -9.794 1.572 -2.007 1.00 40.24 N ATOM 1292 CA ASP A 84 -10.217 0.701 -3.084 1.00 12.42 C ATOM 1293 C ASP A 84 -8.968 0.122 -3.747 1.00 42.52 C ATOM 1294 O ASP A 84 -7.850 0.406 -3.314 1.00 13.10 O ATOM 1295 CB ASP A 84 -11.081 1.479 -4.088 1.00 1.35 C ATOM 1296 CG ASP A 84 -11.780 0.588 -5.094 1.00 14.40 C ATOM 1297 OD1 ASP A 84 -12.865 0.058 -4.778 1.00 63.40 O ATOM 1298 OD2 ASP A 84 -11.249 0.414 -6.208 1.00 11.34 O ATOM 0 H ASP A 84 -9.533 2.514 -2.300 1.00 40.24 H new ATOM 0 HA ASP A 84 -10.829 -0.115 -2.699 1.00 12.42 H new ATOM 0 HB2 ASP A 84 -11.828 2.056 -3.543 1.00 1.35 H new ATOM 0 HB3 ASP A 84 -10.453 2.193 -4.620 1.00 1.35 H new ATOM 1303 N GLN A 85 -9.146 -0.684 -4.781 1.00 60.23 N ATOM 1304 CA GLN A 85 -8.025 -1.315 -5.467 1.00 31.12 C ATOM 1305 C GLN A 85 -7.110 -0.259 -6.087 1.00 42.22 C ATOM 1306 O GLN A 85 -5.918 -0.498 -6.278 1.00 44.53 O ATOM 1307 CB GLN A 85 -8.529 -2.276 -6.554 1.00 53.33 C ATOM 1308 CG GLN A 85 -9.357 -3.452 -6.040 1.00 22.31 C ATOM 1309 CD GLN A 85 -10.770 -3.068 -5.634 1.00 33.14 C ATOM 1310 OE1 GLN A 85 -10.976 -2.778 -4.357 1.00 52.21 O flip ATOM 1311 NE2 GLN A 85 -11.677 -3.054 -6.464 1.00 55.02 N flip ATOM 0 H GLN A 85 -10.060 -0.919 -5.167 1.00 60.23 H new ATOM 0 HA GLN A 85 -7.455 -1.884 -4.732 1.00 31.12 H new ATOM 0 HB2 GLN A 85 -9.130 -1.712 -7.267 1.00 53.33 H new ATOM 0 HB3 GLN A 85 -7.670 -2.666 -7.100 1.00 53.33 H new ATOM 0 HG2 GLN A 85 -9.406 -4.218 -6.814 1.00 22.31 H new ATOM 0 HG3 GLN A 85 -8.850 -3.896 -5.184 1.00 22.31 H new ATOM 0 HE21 GLN A 85 -11.480 -3.283 -7.438 1.00 55.02 H new ATOM 0 HE22 GLN A 85 -12.626 -2.813 -6.178 1.00 55.02 H new ATOM 1320 N VAL A 86 -7.674 0.908 -6.386 1.00 41.42 N ATOM 1321 CA VAL A 86 -6.897 2.025 -6.912 1.00 14.33 C ATOM 1322 C VAL A 86 -5.915 2.528 -5.859 1.00 41.33 C ATOM 1323 O VAL A 86 -4.708 2.603 -6.102 1.00 35.35 O ATOM 1324 CB VAL A 86 -7.808 3.188 -7.362 1.00 31.14 C ATOM 1325 CG1 VAL A 86 -6.984 4.336 -7.928 1.00 22.50 C ATOM 1326 CG2 VAL A 86 -8.823 2.703 -8.383 1.00 20.22 C ATOM 0 H VAL A 86 -8.668 1.104 -6.272 1.00 41.42 H new ATOM 0 HA VAL A 86 -6.349 1.662 -7.782 1.00 14.33 H new ATOM 0 HB VAL A 86 -8.345 3.557 -6.489 1.00 31.14 H new ATOM 0 HG11 VAL A 86 -7.648 5.143 -8.238 1.00 22.50 H new ATOM 0 HG12 VAL A 86 -6.299 4.703 -7.164 1.00 22.50 H new ATOM 0 HG13 VAL A 86 -6.414 3.985 -8.788 1.00 22.50 H new ATOM 0 HG21 VAL A 86 -9.457 3.535 -8.689 1.00 20.22 H new ATOM 0 HG22 VAL A 86 -8.302 2.304 -9.253 1.00 20.22 H new ATOM 0 HG23 VAL A 86 -9.440 1.921 -7.940 1.00 20.22 H new ATOM 1336 N GLU A 87 -6.438 2.851 -4.683 1.00 45.42 N ATOM 1337 CA GLU A 87 -5.617 3.332 -3.579 1.00 53.25 C ATOM 1338 C GLU A 87 -4.663 2.242 -3.103 1.00 31.42 C ATOM 1339 O GLU A 87 -3.551 2.525 -2.665 1.00 50.31 O ATOM 1340 CB GLU A 87 -6.493 3.800 -2.409 1.00 43.13 C ATOM 1341 CG GLU A 87 -7.288 5.071 -2.691 1.00 42.33 C ATOM 1342 CD GLU A 87 -8.312 4.900 -3.792 1.00 34.43 C ATOM 1343 OE1 GLU A 87 -8.984 3.849 -3.820 1.00 23.03 O ATOM 1344 OE2 GLU A 87 -8.433 5.804 -4.647 1.00 20.44 O ATOM 0 H GLU A 87 -7.433 2.788 -4.468 1.00 45.42 H new ATOM 0 HA GLU A 87 -5.035 4.179 -3.942 1.00 53.25 H new ATOM 0 HB2 GLU A 87 -7.187 3.001 -2.148 1.00 43.13 H new ATOM 0 HB3 GLU A 87 -5.858 3.968 -1.539 1.00 43.13 H new ATOM 0 HG2 GLU A 87 -7.794 5.386 -1.778 1.00 42.33 H new ATOM 0 HG3 GLU A 87 -6.599 5.870 -2.965 1.00 42.33 H new ATOM 1351 N PHE A 88 -5.099 0.993 -3.195 1.00 71.23 N ATOM 1352 CA PHE A 88 -4.252 -0.129 -2.817 1.00 10.50 C ATOM 1353 C PHE A 88 -3.118 -0.317 -3.824 1.00 15.55 C ATOM 1354 O PHE A 88 -2.019 -0.748 -3.468 1.00 55.32 O ATOM 1355 CB PHE A 88 -5.068 -1.421 -2.709 1.00 41.34 C ATOM 1356 CG PHE A 88 -4.239 -2.587 -2.265 1.00 5.40 C ATOM 1357 CD1 PHE A 88 -3.861 -2.707 -0.941 1.00 40.33 C ATOM 1358 CD2 PHE A 88 -3.820 -3.545 -3.171 1.00 44.13 C ATOM 1359 CE1 PHE A 88 -3.077 -3.764 -0.523 1.00 4.01 C ATOM 1360 CE2 PHE A 88 -3.039 -4.607 -2.760 1.00 34.23 C ATOM 1361 CZ PHE A 88 -2.666 -4.716 -1.434 1.00 23.10 C ATOM 0 H PHE A 88 -6.028 0.733 -3.526 1.00 71.23 H new ATOM 0 HA PHE A 88 -3.823 0.096 -1.841 1.00 10.50 H new ATOM 0 HB2 PHE A 88 -5.887 -1.272 -2.005 1.00 41.34 H new ATOM 0 HB3 PHE A 88 -5.517 -1.646 -3.677 1.00 41.34 H new ATOM 0 HD1 PHE A 88 -4.183 -1.965 -0.225 1.00 40.33 H new ATOM 0 HD2 PHE A 88 -4.106 -3.461 -4.209 1.00 44.13 H new ATOM 0 HE1 PHE A 88 -2.786 -3.846 0.514 1.00 4.01 H new ATOM 0 HE2 PHE A 88 -2.720 -5.352 -3.474 1.00 34.23 H new ATOM 0 HZ PHE A 88 -2.054 -5.545 -1.111 1.00 23.10 H new ATOM 1371 N SER A 89 -3.386 0.027 -5.078 1.00 71.13 N ATOM 1372 CA SER A 89 -2.412 -0.148 -6.142 1.00 21.33 C ATOM 1373 C SER A 89 -1.184 0.730 -5.905 1.00 64.34 C ATOM 1374 O SER A 89 -0.085 0.408 -6.352 1.00 1.25 O ATOM 1375 CB SER A 89 -3.045 0.172 -7.498 1.00 23.30 C ATOM 1376 OG SER A 89 -2.189 -0.193 -8.569 1.00 23.31 O ATOM 0 H SER A 89 -4.273 0.430 -5.381 1.00 71.13 H new ATOM 0 HA SER A 89 -2.089 -1.189 -6.143 1.00 21.33 H new ATOM 0 HB2 SER A 89 -3.993 -0.357 -7.592 1.00 23.30 H new ATOM 0 HB3 SER A 89 -3.267 1.238 -7.555 1.00 23.30 H new ATOM 0 HG SER A 89 -2.622 0.022 -9.422 1.00 23.31 H new ATOM 1382 N ILE A 90 -1.373 1.839 -5.196 1.00 71.41 N ATOM 1383 CA ILE A 90 -0.265 2.724 -4.867 1.00 13.44 C ATOM 1384 C ILE A 90 0.264 2.413 -3.461 1.00 34.15 C ATOM 1385 O ILE A 90 1.427 2.670 -3.151 1.00 42.43 O ATOM 1386 CB ILE A 90 -0.679 4.217 -4.988 1.00 43.33 C ATOM 1387 CG1 ILE A 90 0.516 5.140 -4.740 1.00 53.42 C ATOM 1388 CG2 ILE A 90 -1.814 4.555 -4.033 1.00 23.30 C ATOM 1389 CD1 ILE A 90 0.201 6.607 -4.946 1.00 44.02 C ATOM 0 H ILE A 90 -2.279 2.144 -4.841 1.00 71.41 H new ATOM 0 HA ILE A 90 0.536 2.548 -5.585 1.00 13.44 H new ATOM 0 HB ILE A 90 -1.033 4.376 -6.007 1.00 43.33 H new ATOM 0 HG12 ILE A 90 0.873 4.993 -3.721 1.00 53.42 H new ATOM 0 HG13 ILE A 90 1.330 4.854 -5.407 1.00 53.42 H new ATOM 0 HG21 ILE A 90 -2.080 5.606 -4.142 1.00 23.30 H new ATOM 0 HG22 ILE A 90 -2.681 3.935 -4.264 1.00 23.30 H new ATOM 0 HG23 ILE A 90 -1.495 4.366 -3.008 1.00 23.30 H new ATOM 0 HD11 ILE A 90 1.094 7.201 -4.753 1.00 44.02 H new ATOM 0 HD12 ILE A 90 -0.127 6.768 -5.973 1.00 44.02 H new ATOM 0 HD13 ILE A 90 -0.591 6.909 -4.261 1.00 44.02 H new ATOM 1401 N ALA A 91 -0.592 1.819 -2.630 1.00 21.24 N ATOM 1402 CA ALA A 91 -0.225 1.480 -1.257 1.00 31.14 C ATOM 1403 C ALA A 91 0.777 0.332 -1.208 1.00 21.52 C ATOM 1404 O ALA A 91 1.690 0.329 -0.381 1.00 42.22 O ATOM 1405 CB ALA A 91 -1.466 1.101 -0.463 1.00 10.42 C ATOM 0 H ALA A 91 -1.546 1.563 -2.885 1.00 21.24 H new ATOM 0 HA ALA A 91 0.243 2.360 -0.816 1.00 31.14 H new ATOM 0 HB1 ALA A 91 -1.182 0.850 0.559 1.00 10.42 H new ATOM 0 HB2 ALA A 91 -2.161 1.941 -0.451 1.00 10.42 H new ATOM 0 HB3 ALA A 91 -1.946 0.240 -0.928 1.00 10.42 H new ATOM 1411 N MET A 92 0.616 -0.627 -2.115 1.00 44.22 N ATOM 1412 CA MET A 92 1.471 -1.814 -2.143 1.00 63.04 C ATOM 1413 C MET A 92 2.926 -1.429 -2.401 1.00 25.04 C ATOM 1414 O MET A 92 3.852 -2.102 -1.946 1.00 61.24 O ATOM 1415 CB MET A 92 0.970 -2.814 -3.200 1.00 62.13 C ATOM 1416 CG MET A 92 1.033 -2.299 -4.632 1.00 32.25 C ATOM 1417 SD MET A 92 2.675 -2.450 -5.363 1.00 53.21 S ATOM 1418 CE MET A 92 2.488 -1.440 -6.828 1.00 55.34 C ATOM 0 H MET A 92 -0.099 -0.607 -2.842 1.00 44.22 H new ATOM 0 HA MET A 92 1.421 -2.297 -1.167 1.00 63.04 H new ATOM 0 HB2 MET A 92 1.562 -3.727 -3.129 1.00 62.13 H new ATOM 0 HB3 MET A 92 -0.061 -3.083 -2.968 1.00 62.13 H new ATOM 0 HG2 MET A 92 0.317 -2.850 -5.242 1.00 32.25 H new ATOM 0 HG3 MET A 92 0.728 -1.253 -4.650 1.00 32.25 H new ATOM 0 HE1 MET A 92 3.290 -1.666 -7.531 1.00 55.34 H new ATOM 0 HE2 MET A 92 1.526 -1.651 -7.295 1.00 55.34 H new ATOM 0 HE3 MET A 92 2.534 -0.387 -6.552 1.00 55.34 H new ATOM 1428 N LYS A 93 3.113 -0.319 -3.106 1.00 21.51 N ATOM 1429 CA LYS A 93 4.440 0.166 -3.448 1.00 61.14 C ATOM 1430 C LYS A 93 5.159 0.617 -2.180 1.00 43.34 C ATOM 1431 O LYS A 93 6.336 0.319 -1.974 1.00 11.23 O ATOM 1432 CB LYS A 93 4.312 1.328 -4.438 1.00 74.44 C ATOM 1433 CG LYS A 93 5.437 1.435 -5.461 1.00 62.11 C ATOM 1434 CD LYS A 93 6.776 1.740 -4.813 1.00 23.14 C ATOM 1435 CE LYS A 93 7.813 2.161 -5.841 1.00 54.35 C ATOM 1436 NZ LYS A 93 7.932 1.188 -6.959 1.00 24.34 N ATOM 0 H LYS A 93 2.353 0.265 -3.454 1.00 21.51 H new ATOM 0 HA LYS A 93 5.021 -0.631 -3.913 1.00 61.14 H new ATOM 0 HB2 LYS A 93 3.366 1.228 -4.971 1.00 74.44 H new ATOM 0 HB3 LYS A 93 4.264 2.260 -3.875 1.00 74.44 H new ATOM 0 HG2 LYS A 93 5.509 0.501 -6.018 1.00 62.11 H new ATOM 0 HG3 LYS A 93 5.197 2.217 -6.181 1.00 62.11 H new ATOM 0 HD2 LYS A 93 6.652 2.533 -4.075 1.00 23.14 H new ATOM 0 HD3 LYS A 93 7.131 0.859 -4.278 1.00 23.14 H new ATOM 0 HE2 LYS A 93 7.547 3.139 -6.241 1.00 54.35 H new ATOM 0 HE3 LYS A 93 8.781 2.269 -5.353 1.00 54.35 H new ATOM 0 HZ1 LYS A 93 8.936 1.050 -7.194 1.00 24.34 H new ATOM 0 HZ2 LYS A 93 7.515 0.279 -6.674 1.00 24.34 H new ATOM 0 HZ3 LYS A 93 7.428 1.553 -7.792 1.00 24.34 H new ATOM 1450 N LEU A 94 4.429 1.318 -1.318 1.00 74.51 N ATOM 1451 CA LEU A 94 4.984 1.830 -0.080 1.00 61.01 C ATOM 1452 C LEU A 94 5.281 0.691 0.890 1.00 43.32 C ATOM 1453 O LEU A 94 6.279 0.727 1.606 1.00 11.34 O ATOM 1454 CB LEU A 94 4.019 2.828 0.560 1.00 12.43 C ATOM 1455 CG LEU A 94 4.671 4.106 1.067 1.00 71.22 C ATOM 1456 CD1 LEU A 94 5.254 4.905 -0.089 1.00 43.33 C ATOM 1457 CD2 LEU A 94 3.672 4.944 1.847 1.00 53.33 C ATOM 0 H LEU A 94 3.444 1.543 -1.460 1.00 74.51 H new ATOM 0 HA LEU A 94 5.919 2.340 -0.309 1.00 61.01 H new ATOM 0 HB2 LEU A 94 3.253 3.091 -0.170 1.00 12.43 H new ATOM 0 HB3 LEU A 94 3.512 2.340 1.392 1.00 12.43 H new ATOM 0 HG LEU A 94 5.485 3.832 1.738 1.00 71.22 H new ATOM 0 HD11 LEU A 94 5.716 5.815 0.294 1.00 43.33 H new ATOM 0 HD12 LEU A 94 6.005 4.306 -0.603 1.00 43.33 H new ATOM 0 HD13 LEU A 94 4.459 5.168 -0.787 1.00 43.33 H new ATOM 0 HD21 LEU A 94 4.158 5.853 2.201 1.00 53.33 H new ATOM 0 HD22 LEU A 94 2.835 5.208 1.200 1.00 53.33 H new ATOM 0 HD23 LEU A 94 3.306 4.373 2.700 1.00 53.33 H new ATOM 1469 N ILE A 95 4.412 -0.317 0.905 1.00 54.44 N ATOM 1470 CA ILE A 95 4.605 -1.482 1.765 1.00 61.10 C ATOM 1471 C ILE A 95 5.926 -2.166 1.423 1.00 62.43 C ATOM 1472 O ILE A 95 6.723 -2.479 2.306 1.00 13.23 O ATOM 1473 CB ILE A 95 3.450 -2.505 1.624 1.00 20.52 C ATOM 1474 CG1 ILE A 95 2.099 -1.825 1.865 1.00 12.24 C ATOM 1475 CG2 ILE A 95 3.638 -3.664 2.600 1.00 54.43 C ATOM 1476 CD1 ILE A 95 0.909 -2.744 1.674 1.00 22.34 C ATOM 0 H ILE A 95 3.569 -0.351 0.332 1.00 54.44 H new ATOM 0 HA ILE A 95 4.619 -1.127 2.796 1.00 61.10 H new ATOM 0 HB ILE A 95 3.465 -2.900 0.608 1.00 20.52 H new ATOM 0 HG12 ILE A 95 2.079 -1.426 2.879 1.00 12.24 H new ATOM 0 HG13 ILE A 95 2.004 -0.977 1.187 1.00 12.24 H new ATOM 0 HG21 ILE A 95 2.817 -4.372 2.486 1.00 54.43 H new ATOM 0 HG22 ILE A 95 4.582 -4.166 2.391 1.00 54.43 H new ATOM 0 HG23 ILE A 95 3.649 -3.282 3.621 1.00 54.43 H new ATOM 0 HD11 ILE A 95 -0.011 -2.191 1.862 1.00 22.34 H new ATOM 0 HD12 ILE A 95 0.902 -3.123 0.652 1.00 22.34 H new ATOM 0 HD13 ILE A 95 0.979 -3.580 2.370 1.00 22.34 H new ATOM 1488 N LYS A 96 6.157 -2.360 0.130 1.00 70.34 N ATOM 1489 CA LYS A 96 7.385 -2.980 -0.356 1.00 74.11 C ATOM 1490 C LYS A 96 8.618 -2.183 0.075 1.00 55.30 C ATOM 1491 O LYS A 96 9.576 -2.745 0.607 1.00 3.21 O ATOM 1492 CB LYS A 96 7.328 -3.098 -1.884 1.00 21.42 C ATOM 1493 CG LYS A 96 8.632 -3.541 -2.531 1.00 21.45 C ATOM 1494 CD LYS A 96 8.467 -3.715 -4.031 1.00 23.20 C ATOM 1495 CE LYS A 96 9.804 -3.914 -4.728 1.00 72.02 C ATOM 1496 NZ LYS A 96 9.633 -4.182 -6.182 1.00 43.04 N ATOM 0 H LYS A 96 5.504 -2.094 -0.607 1.00 70.34 H new ATOM 0 HA LYS A 96 7.469 -3.975 0.081 1.00 74.11 H new ATOM 0 HB2 LYS A 96 6.545 -3.807 -2.152 1.00 21.42 H new ATOM 0 HB3 LYS A 96 7.040 -2.132 -2.300 1.00 21.42 H new ATOM 0 HG2 LYS A 96 9.410 -2.804 -2.331 1.00 21.45 H new ATOM 0 HG3 LYS A 96 8.961 -4.480 -2.087 1.00 21.45 H new ATOM 0 HD2 LYS A 96 7.823 -4.572 -4.229 1.00 23.20 H new ATOM 0 HD3 LYS A 96 7.968 -2.839 -4.446 1.00 23.20 H new ATOM 0 HE2 LYS A 96 10.421 -3.026 -4.592 1.00 72.02 H new ATOM 0 HE3 LYS A 96 10.336 -4.745 -4.265 1.00 72.02 H new ATOM 0 HZ1 LYS A 96 9.782 -5.194 -6.368 1.00 43.04 H new ATOM 0 HZ2 LYS A 96 8.671 -3.914 -6.474 1.00 43.04 H new ATOM 0 HZ3 LYS A 96 10.326 -3.625 -6.722 1.00 43.04 H new ATOM 1510 N LEU A 97 8.576 -0.876 -0.138 1.00 51.32 N ATOM 1511 CA LEU A 97 9.702 -0.008 0.191 1.00 32.15 C ATOM 1512 C LEU A 97 9.941 0.063 1.697 1.00 14.44 C ATOM 1513 O LEU A 97 11.081 0.012 2.156 1.00 20.41 O ATOM 1514 CB LEU A 97 9.476 1.397 -0.374 1.00 12.20 C ATOM 1515 CG LEU A 97 10.015 1.639 -1.791 1.00 41.31 C ATOM 1516 CD1 LEU A 97 11.537 1.630 -1.789 1.00 30.22 C ATOM 1517 CD2 LEU A 97 9.483 0.599 -2.767 1.00 41.44 C ATOM 0 H LEU A 97 7.773 -0.390 -0.538 1.00 51.32 H new ATOM 0 HA LEU A 97 10.592 -0.439 -0.267 1.00 32.15 H new ATOM 0 HB2 LEU A 97 8.405 1.601 -0.372 1.00 12.20 H new ATOM 0 HB3 LEU A 97 9.939 2.118 0.299 1.00 12.20 H new ATOM 0 HG LEU A 97 9.668 2.619 -2.119 1.00 41.31 H new ATOM 0 HD11 LEU A 97 11.903 1.803 -2.801 1.00 30.22 H new ATOM 0 HD12 LEU A 97 11.905 2.417 -1.131 1.00 30.22 H new ATOM 0 HD13 LEU A 97 11.895 0.664 -1.434 1.00 30.22 H new ATOM 0 HD21 LEU A 97 9.882 0.796 -3.762 1.00 41.44 H new ATOM 0 HD22 LEU A 97 9.791 -0.395 -2.443 1.00 41.44 H new ATOM 0 HD23 LEU A 97 8.395 0.650 -2.796 1.00 41.44 H new ATOM 1529 N LYS A 98 8.875 0.168 2.472 1.00 32.54 N ATOM 1530 CA LYS A 98 9.021 0.288 3.916 1.00 10.22 C ATOM 1531 C LYS A 98 9.433 -1.044 4.541 1.00 24.43 C ATOM 1532 O LYS A 98 10.063 -1.068 5.598 1.00 73.13 O ATOM 1533 CB LYS A 98 7.752 0.849 4.560 1.00 31.14 C ATOM 1534 CG LYS A 98 7.421 2.250 4.062 1.00 75.21 C ATOM 1535 CD LYS A 98 6.425 2.964 4.961 1.00 55.35 C ATOM 1536 CE LYS A 98 7.034 3.312 6.308 1.00 55.24 C ATOM 1537 NZ LYS A 98 6.080 4.069 7.164 1.00 64.35 N ATOM 0 H LYS A 98 7.912 0.173 2.135 1.00 32.54 H new ATOM 0 HA LYS A 98 9.822 1.001 4.112 1.00 10.22 H new ATOM 0 HB2 LYS A 98 6.915 0.183 4.348 1.00 31.14 H new ATOM 0 HB3 LYS A 98 7.876 0.871 5.643 1.00 31.14 H new ATOM 0 HG2 LYS A 98 8.337 2.837 4.001 1.00 75.21 H new ATOM 0 HG3 LYS A 98 7.015 2.187 3.052 1.00 75.21 H new ATOM 0 HD2 LYS A 98 6.080 3.875 4.471 1.00 55.35 H new ATOM 0 HD3 LYS A 98 5.550 2.331 5.110 1.00 55.35 H new ATOM 0 HE2 LYS A 98 7.334 2.397 6.819 1.00 55.24 H new ATOM 0 HE3 LYS A 98 7.937 3.904 6.157 1.00 55.24 H new ATOM 0 HZ1 LYS A 98 6.595 4.799 7.696 1.00 64.35 H new ATOM 0 HZ2 LYS A 98 5.360 4.521 6.565 1.00 64.35 H new ATOM 0 HZ3 LYS A 98 5.618 3.417 7.829 1.00 64.35 H new ATOM 1551 N LEU A 99 9.076 -2.150 3.891 1.00 52.11 N ATOM 1552 CA LEU A 99 9.578 -3.467 4.287 1.00 44.52 C ATOM 1553 C LEU A 99 11.098 -3.519 4.168 1.00 74.33 C ATOM 1554 O LEU A 99 11.768 -4.219 4.931 1.00 62.53 O ATOM 1555 CB LEU A 99 8.960 -4.574 3.423 1.00 25.03 C ATOM 1556 CG LEU A 99 7.562 -5.032 3.839 1.00 14.13 C ATOM 1557 CD1 LEU A 99 6.968 -5.955 2.789 1.00 41.44 C ATOM 1558 CD2 LEU A 99 7.617 -5.737 5.185 1.00 43.01 C ATOM 0 H LEU A 99 8.444 -2.162 3.091 1.00 52.11 H new ATOM 0 HA LEU A 99 9.292 -3.631 5.326 1.00 44.52 H new ATOM 0 HB2 LEU A 99 8.916 -4.224 2.392 1.00 25.03 H new ATOM 0 HB3 LEU A 99 9.626 -5.437 3.439 1.00 25.03 H new ATOM 0 HG LEU A 99 6.924 -4.152 3.928 1.00 14.13 H new ATOM 0 HD11 LEU A 99 5.973 -6.270 3.103 1.00 41.44 H new ATOM 0 HD12 LEU A 99 6.898 -5.427 1.838 1.00 41.44 H new ATOM 0 HD13 LEU A 99 7.606 -6.831 2.672 1.00 41.44 H new ATOM 0 HD21 LEU A 99 6.615 -6.058 5.469 1.00 43.01 H new ATOM 0 HD22 LEU A 99 8.270 -6.607 5.114 1.00 43.01 H new ATOM 0 HD23 LEU A 99 8.006 -5.052 5.939 1.00 43.01 H new ATOM 1570 N GLN A 100 11.637 -2.769 3.211 1.00 23.14 N ATOM 1571 CA GLN A 100 13.078 -2.709 2.995 1.00 4.13 C ATOM 1572 C GLN A 100 13.743 -1.831 4.051 1.00 30.41 C ATOM 1573 O GLN A 100 14.928 -1.986 4.346 1.00 75.34 O ATOM 1574 CB GLN A 100 13.389 -2.165 1.602 1.00 31.11 C ATOM 1575 CG GLN A 100 12.817 -3.010 0.476 1.00 41.22 C ATOM 1576 CD GLN A 100 13.071 -2.401 -0.887 1.00 24.32 C ATOM 1577 OE1 GLN A 100 12.261 -1.629 -1.396 1.00 43.02 O ATOM 1578 NE2 GLN A 100 14.200 -2.740 -1.487 1.00 1.42 N ATOM 0 H GLN A 100 11.093 -2.192 2.570 1.00 23.14 H new ATOM 0 HA GLN A 100 13.474 -3.721 3.077 1.00 4.13 H new ATOM 0 HB2 GLN A 100 12.995 -1.152 1.521 1.00 31.11 H new ATOM 0 HB3 GLN A 100 14.470 -2.097 1.481 1.00 31.11 H new ATOM 0 HG2 GLN A 100 13.257 -4.007 0.514 1.00 41.22 H new ATOM 0 HG3 GLN A 100 11.744 -3.129 0.624 1.00 41.22 H new ATOM 0 HE21 GLN A 100 14.846 -3.384 -1.031 1.00 1.42 H new ATOM 0 HE22 GLN A 100 14.424 -2.357 -2.406 1.00 1.42 H new ATOM 1587 N GLY A 101 12.975 -0.906 4.608 1.00 10.24 N ATOM 1588 CA GLY A 101 13.483 -0.063 5.670 1.00 12.32 C ATOM 1589 C GLY A 101 13.601 1.395 5.269 1.00 21.34 C ATOM 1590 O GLY A 101 14.666 1.996 5.410 1.00 11.40 O ATOM 0 H GLY A 101 12.007 -0.724 4.343 1.00 10.24 H new ATOM 0 HA2 GLY A 101 12.825 -0.143 6.535 1.00 12.32 H new ATOM 0 HA3 GLY A 101 14.462 -0.429 5.979 1.00 12.32 H new ATOM 1594 N TYR A 102 12.515 1.966 4.765 1.00 15.14 N ATOM 1595 CA TYR A 102 12.487 3.379 4.417 1.00 54.05 C ATOM 1596 C TYR A 102 11.304 4.060 5.092 1.00 41.44 C ATOM 1597 O TYR A 102 10.317 3.407 5.442 1.00 50.23 O ATOM 1598 CB TYR A 102 12.396 3.574 2.902 1.00 15.20 C ATOM 1599 CG TYR A 102 13.545 2.961 2.126 1.00 41.05 C ATOM 1600 CD1 TYR A 102 14.816 3.523 2.157 1.00 60.30 C ATOM 1601 CD2 TYR A 102 13.354 1.825 1.352 1.00 40.30 C ATOM 1602 CE1 TYR A 102 15.861 2.966 1.440 1.00 52.04 C ATOM 1603 CE2 TYR A 102 14.391 1.263 0.635 1.00 54.45 C ATOM 1604 CZ TYR A 102 15.641 1.836 0.681 1.00 75.05 C ATOM 1605 OH TYR A 102 16.673 1.275 -0.038 1.00 74.22 O ATOM 0 H TYR A 102 11.641 1.471 4.588 1.00 15.14 H new ATOM 0 HA TYR A 102 13.416 3.829 4.767 1.00 54.05 H new ATOM 0 HB2 TYR A 102 11.461 3.141 2.547 1.00 15.20 H new ATOM 0 HB3 TYR A 102 12.355 4.642 2.686 1.00 15.20 H new ATOM 0 HD1 TYR A 102 14.991 4.408 2.750 1.00 60.30 H new ATOM 0 HD2 TYR A 102 12.375 1.372 1.310 1.00 40.30 H new ATOM 0 HE1 TYR A 102 16.843 3.414 1.475 1.00 52.04 H new ATOM 0 HE2 TYR A 102 14.222 0.377 0.040 1.00 54.45 H new ATOM 0 HH TYR A 102 16.347 0.484 -0.516 1.00 74.22 H new ATOM 1615 N GLN A 103 11.401 5.367 5.263 1.00 15.00 N ATOM 1616 CA GLN A 103 10.359 6.136 5.928 1.00 14.23 C ATOM 1617 C GLN A 103 9.964 7.340 5.083 1.00 41.21 C ATOM 1618 O GLN A 103 10.821 8.054 4.562 1.00 31.53 O ATOM 1619 CB GLN A 103 10.848 6.585 7.309 1.00 13.40 C ATOM 1620 CG GLN A 103 9.868 7.465 8.080 1.00 74.00 C ATOM 1621 CD GLN A 103 8.558 6.768 8.408 1.00 54.01 C ATOM 1622 OE1 GLN A 103 8.075 5.920 7.656 1.00 73.43 O ATOM 1623 NE2 GLN A 103 7.980 7.114 9.542 1.00 14.30 N ATOM 0 H GLN A 103 12.196 5.923 4.949 1.00 15.00 H new ATOM 0 HA GLN A 103 9.479 5.506 6.053 1.00 14.23 H new ATOM 0 HB2 GLN A 103 11.068 5.700 7.907 1.00 13.40 H new ATOM 0 HB3 GLN A 103 11.785 7.129 7.188 1.00 13.40 H new ATOM 0 HG2 GLN A 103 10.338 7.793 9.007 1.00 74.00 H new ATOM 0 HG3 GLN A 103 9.658 8.360 7.495 1.00 74.00 H new ATOM 0 HE21 GLN A 103 8.410 7.820 10.139 1.00 14.30 H new ATOM 0 HE22 GLN A 103 7.103 6.675 9.822 1.00 14.30 H new ATOM 1632 N LEU A 104 8.664 7.551 4.935 1.00 23.24 N ATOM 1633 CA LEU A 104 8.156 8.665 4.150 1.00 34.24 C ATOM 1634 C LEU A 104 7.083 9.417 4.924 1.00 53.34 C ATOM 1635 O LEU A 104 6.321 8.813 5.684 1.00 63.14 O ATOM 1636 CB LEU A 104 7.565 8.187 2.816 1.00 1.05 C ATOM 1637 CG LEU A 104 8.562 7.620 1.801 1.00 73.12 C ATOM 1638 CD1 LEU A 104 8.886 6.162 2.102 1.00 34.31 C ATOM 1639 CD2 LEU A 104 8.012 7.763 0.391 1.00 13.21 C ATOM 0 H LEU A 104 7.941 6.963 5.350 1.00 23.24 H new ATOM 0 HA LEU A 104 8.997 9.327 3.946 1.00 34.24 H new ATOM 0 HB2 LEU A 104 6.818 7.422 3.027 1.00 1.05 H new ATOM 0 HB3 LEU A 104 7.043 9.024 2.353 1.00 1.05 H new ATOM 0 HG LEU A 104 9.488 8.190 1.879 1.00 73.12 H new ATOM 0 HD11 LEU A 104 9.596 5.787 1.365 1.00 34.31 H new ATOM 0 HD12 LEU A 104 9.322 6.084 3.098 1.00 34.31 H new ATOM 0 HD13 LEU A 104 7.972 5.570 2.059 1.00 34.31 H new ATOM 0 HD21 LEU A 104 8.729 7.357 -0.322 1.00 13.21 H new ATOM 0 HD22 LEU A 104 7.071 7.218 0.310 1.00 13.21 H new ATOM 0 HD23 LEU A 104 7.841 8.817 0.173 1.00 13.21 H new ATOM 1651 N PRO A 105 7.031 10.748 4.757 1.00 61.42 N ATOM 1652 CA PRO A 105 5.975 11.581 5.319 1.00 14.21 C ATOM 1653 C PRO A 105 4.767 11.649 4.394 1.00 34.11 C ATOM 1654 O PRO A 105 4.653 10.864 3.457 1.00 53.23 O ATOM 1655 CB PRO A 105 6.653 12.945 5.435 1.00 33.43 C ATOM 1656 CG PRO A 105 7.630 12.982 4.307 1.00 3.42 C ATOM 1657 CD PRO A 105 8.023 11.552 4.018 1.00 75.34 C ATOM 0 HA PRO A 105 5.588 11.203 6.265 1.00 14.21 H new ATOM 0 HB2 PRO A 105 5.928 13.755 5.357 1.00 33.43 H new ATOM 0 HB3 PRO A 105 7.154 13.057 6.396 1.00 33.43 H new ATOM 0 HG2 PRO A 105 7.185 13.446 3.426 1.00 3.42 H new ATOM 0 HG3 PRO A 105 8.504 13.576 4.573 1.00 3.42 H new ATOM 0 HD2 PRO A 105 7.992 11.339 2.950 1.00 75.34 H new ATOM 0 HD3 PRO A 105 9.038 11.342 4.356 1.00 75.34 H new ATOM 1665 N SER A 106 3.881 12.606 4.635 1.00 60.35 N ATOM 1666 CA SER A 106 2.667 12.744 3.843 1.00 60.25 C ATOM 1667 C SER A 106 2.965 13.284 2.444 1.00 75.11 C ATOM 1668 O SER A 106 2.060 13.466 1.627 1.00 11.02 O ATOM 1669 CB SER A 106 1.683 13.667 4.547 1.00 55.03 C ATOM 1670 OG SER A 106 1.435 13.240 5.877 1.00 40.01 O ATOM 0 H SER A 106 3.981 13.300 5.375 1.00 60.35 H new ATOM 0 HA SER A 106 2.229 11.752 3.738 1.00 60.25 H new ATOM 0 HB2 SER A 106 2.078 14.683 4.557 1.00 55.03 H new ATOM 0 HB3 SER A 106 0.746 13.695 3.991 1.00 55.03 H new ATOM 0 HG SER A 106 0.801 13.853 6.304 1.00 40.01 H new ATOM 1676 N ALA A 107 4.230 13.544 2.176 1.00 45.24 N ATOM 1677 CA ALA A 107 4.649 14.022 0.873 1.00 73.13 C ATOM 1678 C ALA A 107 4.907 12.853 -0.072 1.00 20.53 C ATOM 1679 O ALA A 107 6.046 12.404 -0.232 1.00 45.20 O ATOM 1680 CB ALA A 107 5.887 14.897 0.990 1.00 24.02 C ATOM 0 H ALA A 107 4.989 13.431 2.848 1.00 45.24 H new ATOM 0 HA ALA A 107 3.842 14.627 0.459 1.00 73.13 H new ATOM 0 HB1 ALA A 107 6.182 15.244 -0.000 1.00 24.02 H new ATOM 0 HB2 ALA A 107 5.667 15.756 1.624 1.00 24.02 H new ATOM 0 HB3 ALA A 107 6.700 14.320 1.430 1.00 24.02 H new ATOM 1686 N LEU A 108 3.837 12.335 -0.664 1.00 51.14 N ATOM 1687 CA LEU A 108 3.943 11.262 -1.634 1.00 21.22 C ATOM 1688 C LEU A 108 4.447 11.841 -2.958 1.00 42.14 C ATOM 1689 O LEU A 108 4.021 12.928 -3.356 1.00 11.42 O ATOM 1690 CB LEU A 108 2.544 10.650 -1.800 1.00 4.00 C ATOM 1691 CG LEU A 108 2.465 9.187 -2.243 1.00 34.21 C ATOM 1692 CD1 LEU A 108 2.719 9.046 -3.737 1.00 34.21 C ATOM 1693 CD2 LEU A 108 3.436 8.326 -1.443 1.00 31.30 C ATOM 0 H LEU A 108 2.882 12.646 -0.485 1.00 51.14 H new ATOM 0 HA LEU A 108 4.643 10.492 -1.309 1.00 21.22 H new ATOM 0 HB2 LEU A 108 2.020 10.743 -0.849 1.00 4.00 H new ATOM 0 HB3 LEU A 108 1.997 11.252 -2.525 1.00 4.00 H new ATOM 0 HG LEU A 108 1.453 8.834 -2.045 1.00 34.21 H new ATOM 0 HD11 LEU A 108 2.656 7.995 -4.019 1.00 34.21 H new ATOM 0 HD12 LEU A 108 1.971 9.615 -4.289 1.00 34.21 H new ATOM 0 HD13 LEU A 108 3.712 9.426 -3.975 1.00 34.21 H new ATOM 0 HD21 LEU A 108 3.362 7.290 -1.775 1.00 31.30 H new ATOM 0 HD22 LEU A 108 4.453 8.685 -1.598 1.00 31.30 H new ATOM 0 HD23 LEU A 108 3.187 8.386 -0.383 1.00 31.30 H new ATOM 1705 N PRO A 109 5.352 11.134 -3.659 1.00 24.14 N ATOM 1706 CA PRO A 109 5.883 11.602 -4.944 1.00 41.12 C ATOM 1707 C PRO A 109 4.798 11.735 -6.011 1.00 31.33 C ATOM 1708 O PRO A 109 3.805 11.006 -5.996 1.00 51.14 O ATOM 1709 CB PRO A 109 6.885 10.510 -5.344 1.00 64.44 C ATOM 1710 CG PRO A 109 7.210 9.799 -4.077 1.00 14.11 C ATOM 1711 CD PRO A 109 5.969 9.868 -3.236 1.00 63.32 C ATOM 0 HA PRO A 109 6.324 12.595 -4.856 1.00 41.12 H new ATOM 0 HB2 PRO A 109 6.454 9.830 -6.079 1.00 64.44 H new ATOM 0 HB3 PRO A 109 7.779 10.941 -5.795 1.00 64.44 H new ATOM 0 HG2 PRO A 109 7.493 8.764 -4.271 1.00 14.11 H new ATOM 0 HG3 PRO A 109 8.052 10.270 -3.570 1.00 14.11 H new ATOM 0 HD2 PRO A 109 5.311 9.018 -3.417 1.00 63.32 H new ATOM 0 HD3 PRO A 109 6.203 9.869 -2.171 1.00 63.32 H new ATOM 1719 N PRO A 110 4.996 12.641 -6.978 1.00 20.35 N ATOM 1720 CA PRO A 110 4.030 12.868 -8.050 1.00 52.15 C ATOM 1721 C PRO A 110 4.107 11.798 -9.131 1.00 43.45 C ATOM 1722 O PRO A 110 3.198 11.658 -9.942 1.00 52.13 O ATOM 1723 CB PRO A 110 4.448 14.226 -8.610 1.00 64.30 C ATOM 1724 CG PRO A 110 5.916 14.297 -8.369 1.00 31.45 C ATOM 1725 CD PRO A 110 6.170 13.533 -7.094 1.00 55.33 C ATOM 0 HA PRO A 110 3.001 12.835 -7.692 1.00 52.15 H new ATOM 0 HB2 PRO A 110 4.217 14.305 -9.672 1.00 64.30 H new ATOM 0 HB3 PRO A 110 3.924 15.040 -8.108 1.00 64.30 H new ATOM 0 HG2 PRO A 110 6.469 13.861 -9.201 1.00 31.45 H new ATOM 0 HG3 PRO A 110 6.246 15.332 -8.275 1.00 31.45 H new ATOM 0 HD2 PRO A 110 7.100 12.966 -7.146 1.00 55.33 H new ATOM 0 HD3 PRO A 110 6.251 14.201 -6.237 1.00 55.33 H new ATOM 1733 N VAL A 111 5.186 11.029 -9.114 1.00 54.34 N ATOM 1734 CA VAL A 111 5.442 10.042 -10.154 1.00 13.55 C ATOM 1735 C VAL A 111 4.524 8.829 -10.009 1.00 50.43 C ATOM 1736 O VAL A 111 4.008 8.313 -10.999 1.00 73.44 O ATOM 1737 CB VAL A 111 6.914 9.580 -10.133 1.00 51.24 C ATOM 1738 CG1 VAL A 111 7.218 8.698 -11.333 1.00 2.45 C ATOM 1739 CG2 VAL A 111 7.853 10.777 -10.094 1.00 23.45 C ATOM 0 H VAL A 111 5.901 11.070 -8.388 1.00 54.34 H new ATOM 0 HA VAL A 111 5.236 10.525 -11.109 1.00 13.55 H new ATOM 0 HB VAL A 111 7.073 8.992 -9.229 1.00 51.24 H new ATOM 0 HG11 VAL A 111 8.261 8.383 -11.298 1.00 2.45 H new ATOM 0 HG12 VAL A 111 6.573 7.819 -11.311 1.00 2.45 H new ATOM 0 HG13 VAL A 111 7.038 9.258 -12.251 1.00 2.45 H new ATOM 0 HG21 VAL A 111 8.886 10.429 -10.080 1.00 23.45 H new ATOM 0 HG22 VAL A 111 7.691 11.396 -10.977 1.00 23.45 H new ATOM 0 HG23 VAL A 111 7.656 11.365 -9.198 1.00 23.45 H new ATOM 1749 N MET A 112 4.313 8.386 -8.771 1.00 53.31 N ATOM 1750 CA MET A 112 3.452 7.232 -8.501 1.00 4.14 C ATOM 1751 C MET A 112 2.026 7.492 -8.962 1.00 45.41 C ATOM 1752 O MET A 112 1.393 6.637 -9.577 1.00 23.20 O ATOM 1753 CB MET A 112 3.448 6.897 -7.006 1.00 41.43 C ATOM 1754 CG MET A 112 4.656 6.100 -6.548 1.00 5.24 C ATOM 1755 SD MET A 112 4.742 4.477 -7.328 1.00 53.03 S ATOM 1756 CE MET A 112 3.165 3.784 -6.837 1.00 24.22 C ATOM 0 H MET A 112 4.725 8.807 -7.938 1.00 53.31 H new ATOM 0 HA MET A 112 3.855 6.387 -9.059 1.00 4.14 H new ATOM 0 HB2 MET A 112 3.401 7.825 -6.436 1.00 41.43 H new ATOM 0 HB3 MET A 112 2.544 6.334 -6.773 1.00 41.43 H new ATOM 0 HG2 MET A 112 5.564 6.658 -6.775 1.00 5.24 H new ATOM 0 HG3 MET A 112 4.619 5.979 -5.465 1.00 5.24 H new ATOM 0 HE1 MET A 112 3.133 2.728 -7.105 1.00 24.22 H new ATOM 0 HE2 MET A 112 3.041 3.889 -5.759 1.00 24.22 H new ATOM 0 HE3 MET A 112 2.360 4.313 -7.348 1.00 24.22 H new ATOM 1766 N LYS A 113 1.538 8.687 -8.671 1.00 63.44 N ATOM 1767 CA LYS A 113 0.167 9.056 -8.991 1.00 31.53 C ATOM 1768 C LYS A 113 0.079 9.669 -10.386 1.00 11.41 C ATOM 1769 O LYS A 113 -1.012 9.823 -10.942 1.00 34.02 O ATOM 1770 CB LYS A 113 -0.367 10.019 -7.922 1.00 22.35 C ATOM 1771 CG LYS A 113 0.583 11.165 -7.601 1.00 24.32 C ATOM 1772 CD LYS A 113 0.442 11.630 -6.158 1.00 13.23 C ATOM 1773 CE LYS A 113 -0.955 12.138 -5.848 1.00 50.10 C ATOM 1774 NZ LYS A 113 -1.099 12.502 -4.413 1.00 45.24 N ATOM 0 H LYS A 113 2.074 9.423 -8.211 1.00 63.44 H new ATOM 0 HA LYS A 113 -0.453 8.160 -8.994 1.00 31.53 H new ATOM 0 HB2 LYS A 113 -1.318 10.431 -8.259 1.00 22.35 H new ATOM 0 HB3 LYS A 113 -0.568 9.459 -7.009 1.00 22.35 H new ATOM 0 HG2 LYS A 113 1.610 10.847 -7.782 1.00 24.32 H new ATOM 0 HG3 LYS A 113 0.385 12.000 -8.273 1.00 24.32 H new ATOM 0 HD2 LYS A 113 0.683 10.805 -5.488 1.00 13.23 H new ATOM 0 HD3 LYS A 113 1.165 12.421 -5.962 1.00 13.23 H new ATOM 0 HE2 LYS A 113 -1.173 13.008 -6.468 1.00 50.10 H new ATOM 0 HE3 LYS A 113 -1.687 11.372 -6.105 1.00 50.10 H new ATOM 0 HZ1 LYS A 113 -2.065 12.845 -4.237 1.00 45.24 H new ATOM 0 HZ2 LYS A 113 -0.915 11.666 -3.823 1.00 45.24 H new ATOM 0 HZ3 LYS A 113 -0.417 13.250 -4.175 1.00 45.24 H new ATOM 1788 N GLN A 114 1.246 10.025 -10.930 1.00 4.53 N ATOM 1789 CA GLN A 114 1.395 10.543 -12.293 1.00 35.41 C ATOM 1790 C GLN A 114 0.845 11.949 -12.468 1.00 72.31 C ATOM 1791 O GLN A 114 1.237 12.681 -13.378 1.00 33.23 O ATOM 1792 CB GLN A 114 0.775 9.596 -13.311 1.00 21.00 C ATOM 1793 CG GLN A 114 1.544 8.296 -13.478 1.00 63.54 C ATOM 1794 CD GLN A 114 0.993 7.440 -14.597 1.00 40.11 C ATOM 1795 OE1 GLN A 114 -0.203 7.470 -14.887 1.00 75.33 O ATOM 1796 NE2 GLN A 114 1.862 6.683 -15.249 1.00 53.11 N ATOM 0 H GLN A 114 2.130 9.960 -10.426 1.00 4.53 H new ATOM 0 HA GLN A 114 2.468 10.605 -12.473 1.00 35.41 H new ATOM 0 HB2 GLN A 114 -0.247 9.368 -13.008 1.00 21.00 H new ATOM 0 HB3 GLN A 114 0.716 10.100 -14.276 1.00 21.00 H new ATOM 0 HG2 GLN A 114 2.592 8.520 -13.678 1.00 63.54 H new ATOM 0 HG3 GLN A 114 1.510 7.735 -12.544 1.00 63.54 H new ATOM 0 HE21 GLN A 114 2.845 6.686 -14.978 1.00 53.11 H new ATOM 0 HE22 GLN A 114 1.548 6.097 -16.022 1.00 53.11 H new