USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 815 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 58 ASN : amide:sc= -1.58 K(o=-1.4,f=-4.3!) USER MOD Set 1.2: A 59 SER OG : rot 74:sc= 0.222 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -44:sc= 1.1 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00532 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 45:sc= 0.94 USER MOD Single : A 45 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.832 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.3) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 164:sc= 0 (180deg=-0.0524) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -124:sc= -0.244 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.76) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0509 USER MOD Single : A 109 ASN : amide:sc= -0.0221 K(o=-0.022,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.080 0.426 0.312 1.00 75.24 N ATOM 2 CA MET A 1 3.406 0.598 -1.099 1.00 41.12 C ATOM 3 C MET A 1 2.427 -0.169 -1.982 1.00 35.04 C ATOM 4 O MET A 1 2.352 -1.397 -1.920 1.00 14.42 O ATOM 5 CB MET A 1 4.835 0.127 -1.375 1.00 44.50 C ATOM 6 CG MET A 1 5.855 1.255 -1.384 1.00 63.41 C ATOM 7 SD MET A 1 6.633 1.500 0.224 1.00 44.12 S ATOM 8 CE MET A 1 8.224 2.161 -0.267 1.00 51.52 C ATOM 0 H1 MET A 1 3.760 0.957 0.893 1.00 75.24 H new ATOM 0 H2 MET A 1 2.119 0.781 0.492 1.00 75.24 H new ATOM 0 H3 MET A 1 3.128 -0.583 0.559 1.00 75.24 H new ATOM 0 HA MET A 1 3.327 1.659 -1.337 1.00 41.12 H new ATOM 0 HB2 MET A 1 5.120 -0.604 -0.619 1.00 44.50 H new ATOM 0 HB3 MET A 1 4.861 -0.383 -2.338 1.00 44.50 H new ATOM 0 HG2 MET A 1 6.624 1.039 -2.126 1.00 63.41 H new ATOM 0 HG3 MET A 1 5.366 2.179 -1.691 1.00 63.41 H new ATOM 0 HE1 MET A 1 8.823 2.364 0.621 1.00 51.52 H new ATOM 0 HE2 MET A 1 8.741 1.436 -0.895 1.00 51.52 H new ATOM 0 HE3 MET A 1 8.077 3.086 -0.825 1.00 51.52 H new ATOM 18 N ILE A 2 1.678 0.562 -2.801 1.00 20.30 N ATOM 19 CA ILE A 2 0.704 -0.051 -3.696 1.00 22.12 C ATOM 20 C ILE A 2 0.340 0.890 -4.839 1.00 70.22 C ATOM 21 O ILE A 2 -0.785 1.381 -4.938 1.00 21.50 O ATOM 22 CB ILE A 2 -0.580 -0.448 -2.944 1.00 22.13 C ATOM 23 CG1 ILE A 2 -1.537 -1.188 -3.880 1.00 55.42 C ATOM 24 CG2 ILE A 2 -1.251 0.784 -2.355 1.00 73.25 C ATOM 25 CD1 ILE A 2 -2.890 -1.467 -3.263 1.00 71.24 C ATOM 0 H ILE A 2 1.727 1.579 -2.863 1.00 20.30 H new ATOM 0 HA ILE A 2 1.170 -0.949 -4.102 1.00 22.12 H new ATOM 0 HB ILE A 2 -0.313 -1.117 -2.126 1.00 22.13 H new ATOM 0 HG12 ILE A 2 -1.675 -0.598 -4.786 1.00 55.42 H new ATOM 0 HG13 ILE A 2 -1.082 -2.132 -4.180 1.00 55.42 H new ATOM 0 HG21 ILE A 2 -2.157 0.487 -1.827 1.00 73.25 H new ATOM 0 HG22 ILE A 2 -0.569 1.272 -1.659 1.00 73.25 H new ATOM 0 HG23 ILE A 2 -1.509 1.476 -3.157 1.00 73.25 H new ATOM 0 HD11 ILE A 2 -3.517 -1.994 -3.983 1.00 71.24 H new ATOM 0 HD12 ILE A 2 -2.764 -2.083 -2.373 1.00 71.24 H new ATOM 0 HD13 ILE A 2 -3.366 -0.526 -2.988 1.00 71.24 H new ATOM 37 N PRO A 3 1.313 1.147 -5.726 1.00 54.42 N ATOM 38 CA PRO A 3 1.118 2.029 -6.881 1.00 13.42 C ATOM 39 C PRO A 3 0.191 1.419 -7.927 1.00 30.04 C ATOM 40 O PRO A 3 0.291 0.233 -8.242 1.00 13.22 O ATOM 41 CB PRO A 3 2.531 2.190 -7.447 1.00 32.10 C ATOM 42 CG PRO A 3 3.256 0.964 -7.009 1.00 51.40 C ATOM 43 CD PRO A 3 2.677 0.597 -5.671 1.00 3.04 C ATOM 0 HA PRO A 3 0.647 2.971 -6.599 1.00 13.42 H new ATOM 0 HB2 PRO A 3 2.515 2.274 -8.534 1.00 32.10 H new ATOM 0 HB3 PRO A 3 3.010 3.091 -7.065 1.00 32.10 H new ATOM 0 HG2 PRO A 3 3.123 0.155 -7.727 1.00 51.40 H new ATOM 0 HG3 PRO A 3 4.327 1.150 -6.933 1.00 51.40 H new ATOM 0 HD2 PRO A 3 2.669 -0.482 -5.519 1.00 3.04 H new ATOM 0 HD3 PRO A 3 3.252 1.030 -4.852 1.00 3.04 H new ATOM 51 N SER A 4 -0.710 2.237 -8.462 1.00 20.32 N ATOM 52 CA SER A 4 -1.657 1.776 -9.470 1.00 70.23 C ATOM 53 C SER A 4 -2.441 0.567 -8.967 1.00 41.44 C ATOM 54 O SER A 4 -2.825 -0.305 -9.746 1.00 35.41 O ATOM 55 CB SER A 4 -0.923 1.419 -10.764 1.00 51.34 C ATOM 56 OG SER A 4 -0.454 0.082 -10.733 1.00 53.41 O ATOM 0 H SER A 4 -0.804 3.222 -8.214 1.00 20.32 H new ATOM 0 HA SER A 4 -2.359 2.585 -9.670 1.00 70.23 H new ATOM 0 HB2 SER A 4 -1.592 1.553 -11.614 1.00 51.34 H new ATOM 0 HB3 SER A 4 -0.083 2.099 -10.909 1.00 51.34 H new ATOM 0 HG SER A 4 -0.055 -0.105 -9.857 1.00 53.41 H new ATOM 62 N PHE A 5 -2.674 0.524 -7.660 1.00 33.11 N ATOM 63 CA PHE A 5 -3.411 -0.577 -7.051 1.00 74.20 C ATOM 64 C PHE A 5 -2.928 -1.920 -7.592 1.00 10.25 C ATOM 65 O PHE A 5 -3.524 -2.482 -8.509 1.00 71.35 O ATOM 66 CB PHE A 5 -4.911 -0.420 -7.311 1.00 31.24 C ATOM 67 CG PHE A 5 -5.678 0.073 -6.117 1.00 23.43 C ATOM 68 CD1 PHE A 5 -6.486 -0.788 -5.392 1.00 71.32 C ATOM 69 CD2 PHE A 5 -5.590 1.397 -5.719 1.00 54.24 C ATOM 70 CE1 PHE A 5 -7.193 -0.338 -4.293 1.00 24.12 C ATOM 71 CE2 PHE A 5 -6.294 1.853 -4.621 1.00 32.13 C ATOM 72 CZ PHE A 5 -7.097 0.985 -3.907 1.00 72.43 C ATOM 0 H PHE A 5 -2.363 1.239 -7.002 1.00 33.11 H new ATOM 0 HA PHE A 5 -3.230 -0.552 -5.976 1.00 74.20 H new ATOM 0 HB2 PHE A 5 -5.057 0.274 -8.139 1.00 31.24 H new ATOM 0 HB3 PHE A 5 -5.320 -1.381 -7.624 1.00 31.24 H new ATOM 0 HD1 PHE A 5 -6.564 -1.823 -5.689 1.00 71.32 H new ATOM 0 HD2 PHE A 5 -4.964 2.081 -6.273 1.00 54.24 H new ATOM 0 HE1 PHE A 5 -7.820 -1.020 -3.737 1.00 24.12 H new ATOM 0 HE2 PHE A 5 -6.216 2.888 -4.321 1.00 32.13 H new ATOM 0 HZ PHE A 5 -7.649 1.340 -3.049 1.00 72.43 H new ATOM 82 N ALA A 6 -1.843 -2.427 -7.015 1.00 51.12 N ATOM 83 CA ALA A 6 -1.280 -3.703 -7.437 1.00 61.42 C ATOM 84 C ALA A 6 -0.745 -3.623 -8.863 1.00 1.11 C ATOM 85 O ALA A 6 -1.429 -3.963 -9.828 1.00 51.44 O ATOM 86 CB ALA A 6 -2.324 -4.804 -7.325 1.00 32.14 C ATOM 0 H ALA A 6 -1.337 -1.973 -6.254 1.00 51.12 H new ATOM 0 HA ALA A 6 -0.446 -3.939 -6.776 1.00 61.42 H new ATOM 0 HB1 ALA A 6 -1.889 -5.751 -7.644 1.00 32.14 H new ATOM 0 HB2 ALA A 6 -2.656 -4.887 -6.290 1.00 32.14 H new ATOM 0 HB3 ALA A 6 -3.176 -4.564 -7.961 1.00 32.14 H new ATOM 92 N PRO A 7 0.507 -3.162 -9.001 1.00 22.22 N ATOM 93 CA PRO A 7 1.161 -3.026 -10.306 1.00 24.34 C ATOM 94 C PRO A 7 1.484 -4.377 -10.936 1.00 4.23 C ATOM 95 O PRO A 7 1.984 -5.281 -10.267 1.00 52.15 O ATOM 96 CB PRO A 7 2.450 -2.267 -9.979 1.00 53.20 C ATOM 97 CG PRO A 7 2.725 -2.585 -8.550 1.00 0.11 C ATOM 98 CD PRO A 7 1.381 -2.739 -7.894 1.00 31.14 C ATOM 0 HA PRO A 7 0.524 -2.519 -11.031 1.00 24.34 H new ATOM 0 HB2 PRO A 7 3.271 -2.587 -10.621 1.00 53.20 H new ATOM 0 HB3 PRO A 7 2.327 -1.194 -10.129 1.00 53.20 H new ATOM 0 HG2 PRO A 7 3.311 -3.500 -8.460 1.00 0.11 H new ATOM 0 HG3 PRO A 7 3.301 -1.790 -8.077 1.00 0.11 H new ATOM 0 HD2 PRO A 7 1.406 -3.481 -7.096 1.00 31.14 H new ATOM 0 HD3 PRO A 7 1.042 -1.804 -7.449 1.00 31.14 H new ATOM 106 N GLY A 8 1.196 -4.506 -12.227 1.00 70.43 N ATOM 107 CA GLY A 8 1.463 -5.750 -12.926 1.00 21.12 C ATOM 108 C GLY A 8 0.194 -6.451 -13.368 1.00 12.02 C ATOM 109 O GLY A 8 0.198 -7.654 -13.630 1.00 22.34 O ATOM 0 H GLY A 8 0.783 -3.772 -12.802 1.00 70.43 H new ATOM 0 HA2 GLY A 8 2.085 -5.547 -13.798 1.00 21.12 H new ATOM 0 HA3 GLY A 8 2.033 -6.413 -12.276 1.00 21.12 H new ATOM 113 N THR A 9 -0.898 -5.698 -13.450 1.00 55.43 N ATOM 114 CA THR A 9 -2.181 -6.254 -13.861 1.00 15.13 C ATOM 115 C THR A 9 -2.400 -6.084 -15.360 1.00 14.34 C ATOM 116 O THR A 9 -2.194 -5.001 -15.909 1.00 3.44 O ATOM 117 CB THR A 9 -3.349 -5.592 -13.104 1.00 43.35 C ATOM 118 OG1 THR A 9 -2.936 -5.237 -11.780 1.00 20.42 O ATOM 119 CG2 THR A 9 -4.548 -6.526 -13.035 1.00 5.51 C ATOM 0 H THR A 9 -0.920 -4.701 -13.237 1.00 55.43 H new ATOM 0 HA THR A 9 -2.157 -7.317 -13.619 1.00 15.13 H new ATOM 0 HB THR A 9 -3.641 -4.692 -13.646 1.00 43.35 H new ATOM 0 HG1 THR A 9 -3.683 -4.815 -11.306 1.00 20.42 H new ATOM 0 HG21 THR A 9 -5.360 -6.037 -12.496 1.00 5.51 H new ATOM 0 HG22 THR A 9 -4.878 -6.770 -14.045 1.00 5.51 H new ATOM 0 HG23 THR A 9 -4.267 -7.441 -12.514 1.00 5.51 H new ATOM 127 N LEU A 10 -2.820 -7.159 -16.017 1.00 53.12 N ATOM 128 CA LEU A 10 -3.068 -7.128 -17.454 1.00 74.34 C ATOM 129 C LEU A 10 -4.535 -6.827 -17.748 1.00 23.15 C ATOM 130 O LEU A 10 -5.422 -7.605 -17.396 1.00 64.21 O ATOM 131 CB LEU A 10 -2.673 -8.463 -18.089 1.00 35.14 C ATOM 132 CG LEU A 10 -2.326 -8.422 -19.577 1.00 60.21 C ATOM 133 CD1 LEU A 10 -1.755 -9.757 -20.029 1.00 20.42 C ATOM 134 CD2 LEU A 10 -3.552 -8.058 -20.401 1.00 73.33 C ATOM 0 H LEU A 10 -2.996 -8.063 -15.578 1.00 53.12 H new ATOM 0 HA LEU A 10 -2.459 -6.333 -17.885 1.00 74.34 H new ATOM 0 HB2 LEU A 10 -1.815 -8.860 -17.547 1.00 35.14 H new ATOM 0 HB3 LEU A 10 -3.493 -9.167 -17.947 1.00 35.14 H new ATOM 0 HG LEU A 10 -1.568 -7.654 -19.732 1.00 60.21 H new ATOM 0 HD11 LEU A 10 -1.514 -9.709 -21.091 1.00 20.42 H new ATOM 0 HD12 LEU A 10 -0.851 -9.977 -19.461 1.00 20.42 H new ATOM 0 HD13 LEU A 10 -2.490 -10.543 -19.859 1.00 20.42 H new ATOM 0 HD21 LEU A 10 -3.286 -8.034 -21.458 1.00 73.33 H new ATOM 0 HD22 LEU A 10 -4.332 -8.802 -20.240 1.00 73.33 H new ATOM 0 HD23 LEU A 10 -3.917 -7.077 -20.096 1.00 73.33 H new ATOM 146 N VAL A 11 -4.783 -5.693 -18.396 1.00 24.32 N ATOM 147 CA VAL A 11 -6.141 -5.291 -18.740 1.00 0.54 C ATOM 148 C VAL A 11 -6.283 -5.062 -20.240 1.00 51.32 C ATOM 149 O VAL A 11 -5.338 -5.267 -21.002 1.00 0.23 O ATOM 150 CB VAL A 11 -6.551 -4.006 -17.995 1.00 33.55 C ATOM 151 CG1 VAL A 11 -6.718 -4.282 -16.508 1.00 14.21 C ATOM 152 CG2 VAL A 11 -5.529 -2.905 -18.229 1.00 41.15 C ATOM 0 H VAL A 11 -4.061 -5.037 -18.693 1.00 24.32 H new ATOM 0 HA VAL A 11 -6.799 -6.105 -18.436 1.00 0.54 H new ATOM 0 HB VAL A 11 -7.510 -3.669 -18.388 1.00 33.55 H new ATOM 0 HG11 VAL A 11 -7.008 -3.363 -15.998 1.00 14.21 H new ATOM 0 HG12 VAL A 11 -7.491 -5.037 -16.363 1.00 14.21 H new ATOM 0 HG13 VAL A 11 -5.775 -4.644 -16.097 1.00 14.21 H new ATOM 0 HG21 VAL A 11 -5.835 -2.005 -17.695 1.00 41.15 H new ATOM 0 HG22 VAL A 11 -4.555 -3.230 -17.864 1.00 41.15 H new ATOM 0 HG23 VAL A 11 -5.464 -2.690 -19.296 1.00 41.15 H new ATOM 162 N TRP A 12 -7.469 -4.635 -20.658 1.00 34.41 N ATOM 163 CA TRP A 12 -7.735 -4.378 -22.069 1.00 15.13 C ATOM 164 C TRP A 12 -8.058 -2.906 -22.302 1.00 64.01 C ATOM 165 O TRP A 12 -8.855 -2.312 -21.575 1.00 40.12 O ATOM 166 CB TRP A 12 -8.893 -5.250 -22.558 1.00 41.11 C ATOM 167 CG TRP A 12 -8.449 -6.566 -23.120 1.00 65.31 C ATOM 168 CD1 TRP A 12 -7.246 -7.181 -22.916 1.00 41.52 C ATOM 169 CD2 TRP A 12 -9.201 -7.429 -23.980 1.00 12.01 C ATOM 170 NE1 TRP A 12 -7.206 -8.373 -23.597 1.00 64.15 N ATOM 171 CE2 TRP A 12 -8.393 -8.549 -24.257 1.00 72.11 C ATOM 172 CE3 TRP A 12 -10.480 -7.365 -24.541 1.00 25.42 C ATOM 173 CZ2 TRP A 12 -8.823 -9.594 -25.071 1.00 13.40 C ATOM 174 CZ3 TRP A 12 -10.905 -8.403 -25.349 1.00 3.24 C ATOM 175 CH2 TRP A 12 -10.079 -9.505 -25.607 1.00 32.20 C ATOM 0 H TRP A 12 -8.262 -4.459 -20.040 1.00 34.41 H new ATOM 0 HA TRP A 12 -6.837 -4.628 -22.634 1.00 15.13 H new ATOM 0 HB2 TRP A 12 -9.578 -5.429 -21.730 1.00 41.11 H new ATOM 0 HB3 TRP A 12 -9.451 -4.707 -23.321 1.00 41.11 H new ATOM 0 HD1 TRP A 12 -6.444 -6.788 -22.309 1.00 41.52 H new ATOM 0 HE1 TRP A 12 -6.419 -9.022 -23.609 1.00 64.15 H new ATOM 0 HE3 TRP A 12 -11.124 -6.520 -24.347 1.00 25.42 H new ATOM 0 HZ2 TRP A 12 -8.188 -10.444 -25.272 1.00 13.40 H new ATOM 0 HZ3 TRP A 12 -11.891 -8.364 -25.789 1.00 3.24 H new ATOM 0 HH2 TRP A 12 -10.441 -10.300 -26.242 1.00 32.20 H new ATOM 186 N LEU A 13 -7.434 -2.323 -23.320 1.00 2.44 N ATOM 187 CA LEU A 13 -7.655 -0.919 -23.649 1.00 1.31 C ATOM 188 C LEU A 13 -8.297 -0.777 -25.025 1.00 44.24 C ATOM 189 O LEU A 13 -7.702 -1.141 -26.040 1.00 52.12 O ATOM 190 CB LEU A 13 -6.333 -0.151 -23.608 1.00 44.34 C ATOM 191 CG LEU A 13 -6.416 1.305 -23.148 1.00 3.03 C ATOM 192 CD1 LEU A 13 -5.906 1.444 -21.722 1.00 23.43 C ATOM 193 CD2 LEU A 13 -5.629 2.208 -24.087 1.00 74.54 C ATOM 0 H LEU A 13 -6.772 -2.800 -23.931 1.00 2.44 H new ATOM 0 HA LEU A 13 -8.334 -0.500 -22.907 1.00 1.31 H new ATOM 0 HB2 LEU A 13 -5.648 -0.682 -22.946 1.00 44.34 H new ATOM 0 HB3 LEU A 13 -5.893 -0.171 -24.605 1.00 44.34 H new ATOM 0 HG LEU A 13 -7.461 1.613 -23.171 1.00 3.03 H new ATOM 0 HD11 LEU A 13 -5.973 2.487 -21.412 1.00 23.43 H new ATOM 0 HD12 LEU A 13 -6.512 0.828 -21.057 1.00 23.43 H new ATOM 0 HD13 LEU A 13 -4.867 1.117 -21.673 1.00 23.43 H new ATOM 0 HD21 LEU A 13 -5.700 3.240 -23.744 1.00 74.54 H new ATOM 0 HD22 LEU A 13 -4.584 1.900 -24.097 1.00 74.54 H new ATOM 0 HD23 LEU A 13 -6.039 2.132 -25.094 1.00 74.54 H new ATOM 205 N LYS A 14 -9.513 -0.243 -25.053 1.00 70.11 N ATOM 206 CA LYS A 14 -10.236 -0.049 -26.305 1.00 5.24 C ATOM 207 C LYS A 14 -10.262 1.426 -26.694 1.00 63.45 C ATOM 208 O LYS A 14 -10.994 2.219 -26.104 1.00 43.41 O ATOM 209 CB LYS A 14 -11.665 -0.580 -26.180 1.00 14.23 C ATOM 210 CG LYS A 14 -12.301 -0.935 -27.513 1.00 21.13 C ATOM 211 CD LYS A 14 -12.981 0.268 -28.144 1.00 72.14 C ATOM 212 CE LYS A 14 -14.468 0.024 -28.348 1.00 75.45 C ATOM 213 NZ LYS A 14 -15.161 1.231 -28.877 1.00 74.03 N ATOM 0 H LYS A 14 -10.019 0.064 -24.222 1.00 70.11 H new ATOM 0 HA LYS A 14 -9.716 -0.604 -27.086 1.00 5.24 H new ATOM 0 HB2 LYS A 14 -11.661 -1.464 -25.542 1.00 14.23 H new ATOM 0 HB3 LYS A 14 -12.280 0.170 -25.682 1.00 14.23 H new ATOM 0 HG2 LYS A 14 -11.538 -1.320 -28.190 1.00 21.13 H new ATOM 0 HG3 LYS A 14 -13.030 -1.732 -27.368 1.00 21.13 H new ATOM 0 HD2 LYS A 14 -12.838 1.142 -27.509 1.00 72.14 H new ATOM 0 HD3 LYS A 14 -12.513 0.491 -29.103 1.00 72.14 H new ATOM 0 HE2 LYS A 14 -14.608 -0.807 -29.039 1.00 75.45 H new ATOM 0 HE3 LYS A 14 -14.921 -0.269 -27.401 1.00 75.45 H new ATOM 0 HZ1 LYS A 14 -16.172 1.024 -29.002 1.00 74.03 H new ATOM 0 HZ2 LYS A 14 -15.049 2.018 -28.206 1.00 74.03 H new ATOM 0 HZ3 LYS A 14 -14.746 1.496 -29.793 1.00 74.03 H new ATOM 227 N GLN A 15 -9.460 1.784 -27.692 1.00 60.42 N ATOM 228 CA GLN A 15 -9.393 3.163 -28.160 1.00 60.14 C ATOM 229 C GLN A 15 -10.718 3.592 -28.781 1.00 14.22 C ATOM 230 O GLN A 15 -11.590 2.763 -29.041 1.00 54.14 O ATOM 231 CB GLN A 15 -8.264 3.323 -29.180 1.00 4.44 C ATOM 232 CG GLN A 15 -7.083 4.126 -28.658 1.00 2.03 C ATOM 233 CD GLN A 15 -6.783 5.344 -29.509 1.00 60.01 C ATOM 234 OE1 GLN A 15 -6.047 5.262 -30.493 1.00 4.24 O ATOM 235 NE2 GLN A 15 -7.354 6.483 -29.135 1.00 43.11 N ATOM 0 H GLN A 15 -8.848 1.139 -28.191 1.00 60.42 H new ATOM 0 HA GLN A 15 -9.191 3.802 -27.301 1.00 60.14 H new ATOM 0 HB2 GLN A 15 -7.916 2.335 -29.483 1.00 4.44 H new ATOM 0 HB3 GLN A 15 -8.658 3.810 -30.072 1.00 4.44 H new ATOM 0 HG2 GLN A 15 -7.288 4.444 -27.636 1.00 2.03 H new ATOM 0 HG3 GLN A 15 -6.201 3.486 -28.622 1.00 2.03 H new ATOM 0 HE21 GLN A 15 -7.957 6.505 -28.313 1.00 43.11 H new ATOM 0 HE22 GLN A 15 -7.190 7.336 -29.670 1.00 43.11 H new ATOM 244 N ASP A 16 -10.863 4.892 -29.014 1.00 71.12 N ATOM 245 CA ASP A 16 -12.082 5.432 -29.605 1.00 34.43 C ATOM 246 C ASP A 16 -12.279 4.904 -31.022 1.00 74.34 C ATOM 247 O ASP A 16 -13.339 4.372 -31.356 1.00 4.12 O ATOM 248 CB ASP A 16 -12.035 6.960 -29.618 1.00 44.25 C ATOM 249 CG ASP A 16 -12.659 7.570 -28.379 1.00 53.21 C ATOM 250 OD1 ASP A 16 -11.957 8.319 -27.668 1.00 13.34 O ATOM 251 OD2 ASP A 16 -13.850 7.299 -28.121 1.00 15.20 O ATOM 0 H ASP A 16 -10.151 5.591 -28.803 1.00 71.12 H new ATOM 0 HA ASP A 16 -12.926 5.108 -28.996 1.00 34.43 H new ATOM 0 HB2 ASP A 16 -10.999 7.288 -29.698 1.00 44.25 H new ATOM 0 HB3 ASP A 16 -12.555 7.329 -30.502 1.00 44.25 H new ATOM 256 N ARG A 17 -11.253 5.055 -31.853 1.00 2.13 N ATOM 257 CA ARG A 17 -11.314 4.596 -33.235 1.00 60.10 C ATOM 258 C ARG A 17 -10.596 3.259 -33.396 1.00 42.21 C ATOM 259 O ARG A 17 -10.942 2.457 -34.263 1.00 73.04 O ATOM 260 CB ARG A 17 -10.693 5.637 -34.169 1.00 23.55 C ATOM 261 CG ARG A 17 -11.713 6.550 -34.828 1.00 33.05 C ATOM 262 CD ARG A 17 -11.193 7.111 -36.142 1.00 24.34 C ATOM 263 NE ARG A 17 -12.269 7.637 -36.977 1.00 3.43 N ATOM 264 CZ ARG A 17 -12.083 8.103 -38.207 1.00 15.43 C ATOM 265 NH1 ARG A 17 -10.870 8.107 -38.742 1.00 55.40 N ATOM 266 NH2 ARG A 17 -13.113 8.566 -38.904 1.00 50.23 N ATOM 0 H ARG A 17 -10.369 5.492 -31.593 1.00 2.13 H new ATOM 0 HA ARG A 17 -12.362 4.460 -33.500 1.00 60.10 H new ATOM 0 HB2 ARG A 17 -9.986 6.244 -33.603 1.00 23.55 H new ATOM 0 HB3 ARG A 17 -10.123 5.124 -34.944 1.00 23.55 H new ATOM 0 HG2 ARG A 17 -12.635 5.997 -35.007 1.00 33.05 H new ATOM 0 HG3 ARG A 17 -11.958 7.370 -34.153 1.00 33.05 H new ATOM 0 HD2 ARG A 17 -10.472 7.903 -35.938 1.00 24.34 H new ATOM 0 HD3 ARG A 17 -10.662 6.329 -36.685 1.00 24.34 H new ATOM 0 HE ARG A 17 -13.215 7.647 -36.595 1.00 3.43 H new ATOM 0 HH11 ARG A 17 -10.076 7.752 -38.209 1.00 55.40 H new ATOM 0 HH12 ARG A 17 -10.730 8.465 -39.687 1.00 55.40 H new ATOM 0 HH21 ARG A 17 -14.048 8.564 -38.495 1.00 50.23 H new ATOM 0 HH22 ARG A 17 -12.970 8.924 -39.848 1.00 50.23 H new ATOM 280 N PHE A 18 -9.593 3.027 -32.555 1.00 74.12 N ATOM 281 CA PHE A 18 -8.825 1.788 -32.605 1.00 52.40 C ATOM 282 C PHE A 18 -9.512 0.689 -31.800 1.00 55.31 C ATOM 283 O PHE A 18 -10.309 0.951 -30.898 1.00 62.23 O ATOM 284 CB PHE A 18 -7.410 2.019 -32.070 1.00 53.10 C ATOM 285 CG PHE A 18 -6.353 1.980 -33.136 1.00 3.32 C ATOM 286 CD1 PHE A 18 -6.524 2.669 -34.326 1.00 1.13 C ATOM 287 CD2 PHE A 18 -5.187 1.254 -32.948 1.00 15.42 C ATOM 288 CE1 PHE A 18 -5.552 2.636 -35.308 1.00 74.24 C ATOM 289 CE2 PHE A 18 -4.212 1.218 -33.927 1.00 35.24 C ATOM 290 CZ PHE A 18 -4.396 1.908 -35.109 1.00 4.22 C ATOM 0 H PHE A 18 -9.293 3.680 -31.831 1.00 74.12 H new ATOM 0 HA PHE A 18 -8.765 1.468 -33.645 1.00 52.40 H new ATOM 0 HB2 PHE A 18 -7.373 2.986 -31.568 1.00 53.10 H new ATOM 0 HB3 PHE A 18 -7.186 1.261 -31.319 1.00 53.10 H new ATOM 0 HD1 PHE A 18 -7.427 3.238 -34.488 1.00 1.13 H new ATOM 0 HD2 PHE A 18 -5.039 0.711 -32.026 1.00 15.42 H new ATOM 0 HE1 PHE A 18 -5.697 3.179 -36.230 1.00 74.24 H new ATOM 0 HE2 PHE A 18 -3.307 0.651 -33.768 1.00 35.24 H new ATOM 0 HZ PHE A 18 -3.637 1.878 -35.877 1.00 4.22 H new ATOM 300 N PRO A 19 -9.199 -0.572 -32.133 1.00 43.42 N ATOM 301 CA PRO A 19 -9.774 -1.736 -31.454 1.00 73.34 C ATOM 302 C PRO A 19 -9.266 -1.884 -30.024 1.00 41.24 C ATOM 303 O PRO A 19 -8.601 -0.992 -29.497 1.00 65.14 O ATOM 304 CB PRO A 19 -9.306 -2.914 -32.312 1.00 71.25 C ATOM 305 CG PRO A 19 -8.061 -2.431 -32.972 1.00 51.15 C ATOM 306 CD PRO A 19 -8.257 -0.957 -33.198 1.00 33.11 C ATOM 0 HA PRO A 19 -10.858 -1.660 -31.364 1.00 73.34 H new ATOM 0 HB2 PRO A 19 -9.114 -3.796 -31.702 1.00 71.25 H new ATOM 0 HB3 PRO A 19 -10.061 -3.193 -33.047 1.00 71.25 H new ATOM 0 HG2 PRO A 19 -7.189 -2.617 -32.345 1.00 51.15 H new ATOM 0 HG3 PRO A 19 -7.892 -2.951 -33.915 1.00 51.15 H new ATOM 0 HD2 PRO A 19 -7.317 -0.410 -33.121 1.00 33.11 H new ATOM 0 HD3 PRO A 19 -8.664 -0.753 -34.188 1.00 33.11 H new ATOM 314 N TRP A 20 -9.583 -3.014 -29.403 1.00 3.44 N ATOM 315 CA TRP A 20 -9.157 -3.277 -28.033 1.00 21.33 C ATOM 316 C TRP A 20 -7.931 -4.183 -28.009 1.00 22.34 C ATOM 317 O TRP A 20 -7.965 -5.302 -28.521 1.00 44.03 O ATOM 318 CB TRP A 20 -10.295 -3.918 -27.237 1.00 55.13 C ATOM 319 CG TRP A 20 -10.917 -5.093 -27.930 1.00 44.33 C ATOM 320 CD1 TRP A 20 -10.547 -6.402 -27.814 1.00 62.22 C ATOM 321 CD2 TRP A 20 -12.015 -5.064 -28.848 1.00 13.22 C ATOM 322 NE1 TRP A 20 -11.350 -7.189 -28.604 1.00 65.25 N ATOM 323 CE2 TRP A 20 -12.259 -6.392 -29.248 1.00 61.30 C ATOM 324 CE3 TRP A 20 -12.818 -4.046 -29.369 1.00 14.44 C ATOM 325 CZ2 TRP A 20 -13.270 -6.726 -30.145 1.00 14.42 C ATOM 326 CZ3 TRP A 20 -13.822 -4.378 -30.259 1.00 23.13 C ATOM 327 CH2 TRP A 20 -14.041 -5.709 -30.639 1.00 53.30 C ATOM 0 H TRP A 20 -10.133 -3.762 -29.825 1.00 3.44 H new ATOM 0 HA TRP A 20 -8.892 -2.325 -27.572 1.00 21.33 H new ATOM 0 HB2 TRP A 20 -9.915 -4.237 -26.267 1.00 55.13 H new ATOM 0 HB3 TRP A 20 -11.063 -3.168 -27.048 1.00 55.13 H new ATOM 0 HD1 TRP A 20 -9.742 -6.765 -27.193 1.00 62.22 H new ATOM 0 HE1 TRP A 20 -11.280 -8.202 -28.696 1.00 65.25 H new ATOM 0 HE3 TRP A 20 -12.657 -3.018 -29.081 1.00 14.44 H new ATOM 0 HZ2 TRP A 20 -13.440 -7.751 -30.440 1.00 14.42 H new ATOM 0 HZ3 TRP A 20 -14.448 -3.599 -30.668 1.00 23.13 H new ATOM 0 HH2 TRP A 20 -14.834 -5.937 -31.336 1.00 53.30 H new ATOM 338 N TRP A 21 -6.851 -3.694 -27.411 1.00 2.23 N ATOM 339 CA TRP A 21 -5.614 -4.461 -27.320 1.00 64.13 C ATOM 340 C TRP A 21 -5.180 -4.626 -25.868 1.00 13.02 C ATOM 341 O TRP A 21 -5.508 -3.815 -25.001 1.00 74.14 O ATOM 342 CB TRP A 21 -4.505 -3.776 -28.122 1.00 31.44 C ATOM 343 CG TRP A 21 -4.637 -3.968 -29.602 1.00 74.12 C ATOM 344 CD1 TRP A 21 -5.220 -5.024 -30.243 1.00 64.21 C ATOM 345 CD2 TRP A 21 -4.176 -3.080 -30.626 1.00 1.22 C ATOM 346 NE1 TRP A 21 -5.148 -4.846 -31.604 1.00 1.13 N ATOM 347 CE2 TRP A 21 -4.513 -3.660 -31.864 1.00 70.42 C ATOM 348 CE3 TRP A 21 -3.513 -1.850 -30.617 1.00 42.20 C ATOM 349 CZ2 TRP A 21 -4.207 -3.052 -33.079 1.00 34.32 C ATOM 350 CZ3 TRP A 21 -3.210 -1.248 -31.823 1.00 40.34 C ATOM 351 CH2 TRP A 21 -3.558 -1.849 -33.041 1.00 3.55 C ATOM 0 H TRP A 21 -6.807 -2.770 -26.982 1.00 2.23 H new ATOM 0 HA TRP A 21 -5.798 -5.450 -27.739 1.00 64.13 H new ATOM 0 HB2 TRP A 21 -4.512 -2.709 -27.899 1.00 31.44 H new ATOM 0 HB3 TRP A 21 -3.539 -4.163 -27.797 1.00 31.44 H new ATOM 0 HD1 TRP A 21 -5.671 -5.874 -29.752 1.00 64.21 H new ATOM 0 HE1 TRP A 21 -5.509 -5.492 -32.306 1.00 1.13 H new ATOM 0 HE3 TRP A 21 -3.242 -1.378 -29.684 1.00 42.20 H new ATOM 0 HZ2 TRP A 21 -4.473 -3.514 -34.018 1.00 34.32 H new ATOM 0 HZ3 TRP A 21 -2.696 -0.298 -31.828 1.00 40.34 H new ATOM 0 HH2 TRP A 21 -3.309 -1.352 -33.967 1.00 3.55 H new ATOM 362 N PRO A 22 -4.425 -5.700 -25.593 1.00 13.14 N ATOM 363 CA PRO A 22 -3.930 -5.995 -24.245 1.00 34.23 C ATOM 364 C PRO A 22 -2.863 -5.006 -23.790 1.00 22.24 C ATOM 365 O PRO A 22 -2.079 -4.508 -24.597 1.00 34.21 O ATOM 366 CB PRO A 22 -3.335 -7.398 -24.385 1.00 65.21 C ATOM 367 CG PRO A 22 -2.972 -7.513 -25.825 1.00 63.24 C ATOM 368 CD PRO A 22 -3.996 -6.708 -26.576 1.00 72.32 C ATOM 0 HA PRO A 22 -4.719 -5.925 -23.496 1.00 34.23 H new ATOM 0 HB2 PRO A 22 -2.461 -7.523 -23.745 1.00 65.21 H new ATOM 0 HB3 PRO A 22 -4.055 -8.164 -24.096 1.00 65.21 H new ATOM 0 HG2 PRO A 22 -1.967 -7.132 -26.006 1.00 63.24 H new ATOM 0 HG3 PRO A 22 -2.981 -8.554 -26.148 1.00 63.24 H new ATOM 0 HD2 PRO A 22 -3.570 -6.245 -27.466 1.00 72.32 H new ATOM 0 HD3 PRO A 22 -4.830 -7.327 -26.907 1.00 72.32 H new ATOM 376 N GLY A 23 -2.837 -4.726 -22.490 1.00 14.00 N ATOM 377 CA GLY A 23 -1.861 -3.798 -21.950 1.00 54.52 C ATOM 378 C GLY A 23 -1.683 -3.949 -20.453 1.00 14.05 C ATOM 379 O GLY A 23 -2.661 -4.045 -19.710 1.00 71.55 O ATOM 0 H GLY A 23 -3.475 -5.126 -21.802 1.00 14.00 H new ATOM 0 HA2 GLY A 23 -0.902 -3.956 -22.444 1.00 54.52 H new ATOM 0 HA3 GLY A 23 -2.172 -2.778 -22.175 1.00 54.52 H new ATOM 383 N PHE A 24 -0.432 -3.972 -20.006 1.00 41.33 N ATOM 384 CA PHE A 24 -0.129 -4.115 -18.587 1.00 62.51 C ATOM 385 C PHE A 24 -0.195 -2.766 -17.877 1.00 70.34 C ATOM 386 O PHE A 24 0.387 -1.783 -18.334 1.00 44.52 O ATOM 387 CB PHE A 24 1.258 -4.735 -18.400 1.00 74.32 C ATOM 388 CG PHE A 24 1.582 -5.796 -19.414 1.00 12.54 C ATOM 389 CD1 PHE A 24 2.552 -5.577 -20.379 1.00 14.24 C ATOM 390 CD2 PHE A 24 0.916 -7.011 -19.401 1.00 41.34 C ATOM 391 CE1 PHE A 24 2.853 -6.550 -21.312 1.00 74.53 C ATOM 392 CE2 PHE A 24 1.213 -7.988 -20.332 1.00 62.22 C ATOM 393 CZ PHE A 24 2.182 -7.757 -21.290 1.00 33.44 C ATOM 0 H PHE A 24 0.389 -3.893 -20.606 1.00 41.33 H new ATOM 0 HA PHE A 24 -0.877 -4.774 -18.146 1.00 62.51 H new ATOM 0 HB2 PHE A 24 2.010 -3.948 -18.457 1.00 74.32 H new ATOM 0 HB3 PHE A 24 1.323 -5.166 -17.401 1.00 74.32 H new ATOM 0 HD1 PHE A 24 3.079 -4.634 -20.402 1.00 14.24 H new ATOM 0 HD2 PHE A 24 0.157 -7.196 -18.655 1.00 41.34 H new ATOM 0 HE1 PHE A 24 3.612 -6.367 -22.058 1.00 74.53 H new ATOM 0 HE2 PHE A 24 0.688 -8.932 -20.311 1.00 62.22 H new ATOM 0 HZ PHE A 24 2.414 -8.519 -22.020 1.00 33.44 H new ATOM 403 N VAL A 25 -0.910 -2.728 -16.757 1.00 63.02 N ATOM 404 CA VAL A 25 -1.053 -1.501 -15.983 1.00 44.21 C ATOM 405 C VAL A 25 0.148 -1.285 -15.069 1.00 10.04 C ATOM 406 O VAL A 25 0.411 -2.088 -14.174 1.00 4.53 O ATOM 407 CB VAL A 25 -2.336 -1.521 -15.131 1.00 42.44 C ATOM 408 CG1 VAL A 25 -2.443 -0.253 -14.297 1.00 61.14 C ATOM 409 CG2 VAL A 25 -3.560 -1.691 -16.018 1.00 14.52 C ATOM 0 H VAL A 25 -1.399 -3.533 -16.366 1.00 63.02 H new ATOM 0 HA VAL A 25 -1.114 -0.681 -16.698 1.00 44.21 H new ATOM 0 HB VAL A 25 -2.287 -2.371 -14.450 1.00 42.44 H new ATOM 0 HG11 VAL A 25 -3.356 -0.285 -13.702 1.00 61.14 H new ATOM 0 HG12 VAL A 25 -1.580 -0.179 -13.635 1.00 61.14 H new ATOM 0 HG13 VAL A 25 -2.470 0.615 -14.956 1.00 61.14 H new ATOM 0 HG21 VAL A 25 -4.458 -1.703 -15.400 1.00 14.52 H new ATOM 0 HG22 VAL A 25 -3.616 -0.862 -16.724 1.00 14.52 H new ATOM 0 HG23 VAL A 25 -3.484 -2.630 -16.567 1.00 14.52 H new ATOM 419 N MET A 26 0.873 -0.195 -15.300 1.00 34.22 N ATOM 420 CA MET A 26 2.045 0.127 -14.495 1.00 2.40 C ATOM 421 C MET A 26 2.056 1.605 -14.118 1.00 0.40 C ATOM 422 O MET A 26 1.690 2.463 -14.922 1.00 4.32 O ATOM 423 CB MET A 26 3.325 -0.227 -15.255 1.00 11.51 C ATOM 424 CG MET A 26 3.296 -1.611 -15.882 1.00 41.12 C ATOM 425 SD MET A 26 4.823 -2.530 -15.607 1.00 52.02 S ATOM 426 CE MET A 26 4.671 -3.817 -16.844 1.00 12.32 C ATOM 0 H MET A 26 0.669 0.479 -16.038 1.00 34.22 H new ATOM 0 HA MET A 26 2.000 -0.463 -13.580 1.00 2.40 H new ATOM 0 HB2 MET A 26 3.490 0.514 -16.037 1.00 11.51 H new ATOM 0 HB3 MET A 26 4.172 -0.164 -14.572 1.00 11.51 H new ATOM 0 HG2 MET A 26 2.458 -2.174 -15.471 1.00 41.12 H new ATOM 0 HG3 MET A 26 3.121 -1.517 -16.954 1.00 41.12 H new ATOM 0 HE1 MET A 26 5.543 -4.470 -16.799 1.00 12.32 H new ATOM 0 HE2 MET A 26 3.771 -4.401 -16.653 1.00 12.32 H new ATOM 0 HE3 MET A 26 4.607 -3.365 -17.834 1.00 12.32 H new ATOM 436 N ASP A 27 2.477 1.895 -12.892 1.00 11.42 N ATOM 437 CA ASP A 27 2.536 3.270 -12.409 1.00 12.21 C ATOM 438 C ASP A 27 3.867 3.918 -12.776 1.00 3.35 C ATOM 439 O ASP A 27 4.928 3.296 -12.709 1.00 54.11 O ATOM 440 CB ASP A 27 2.335 3.310 -10.893 1.00 64.12 C ATOM 441 CG ASP A 27 1.462 4.469 -10.455 1.00 34.31 C ATOM 442 OD1 ASP A 27 0.223 4.306 -10.439 1.00 63.22 O ATOM 443 OD2 ASP A 27 2.016 5.538 -10.127 1.00 10.32 O ATOM 0 H ASP A 27 2.782 1.197 -12.214 1.00 11.42 H new ATOM 0 HA ASP A 27 1.735 3.832 -12.888 1.00 12.21 H new ATOM 0 HB2 ASP A 27 1.883 2.374 -10.565 1.00 64.12 H new ATOM 0 HB3 ASP A 27 3.306 3.384 -10.403 1.00 64.12 H new ATOM 448 N PRO A 28 3.813 5.198 -13.173 1.00 42.21 N ATOM 449 CA PRO A 28 5.006 5.958 -13.559 1.00 12.32 C ATOM 450 C PRO A 28 5.909 6.264 -12.368 1.00 74.15 C ATOM 451 O PRO A 28 7.133 6.274 -12.493 1.00 24.44 O ATOM 452 CB PRO A 28 4.429 7.252 -14.139 1.00 4.31 C ATOM 453 CG PRO A 28 3.098 7.399 -13.487 1.00 53.25 C ATOM 454 CD PRO A 28 2.584 6.002 -13.276 1.00 73.01 C ATOM 0 HA PRO A 28 5.634 5.404 -14.257 1.00 12.32 H new ATOM 0 HB2 PRO A 28 5.072 8.105 -13.922 1.00 4.31 H new ATOM 0 HB3 PRO A 28 4.334 7.192 -15.223 1.00 4.31 H new ATOM 0 HG2 PRO A 28 3.184 7.930 -12.539 1.00 53.25 H new ATOM 0 HG3 PRO A 28 2.417 7.975 -14.114 1.00 53.25 H new ATOM 0 HD2 PRO A 28 1.979 5.929 -12.372 1.00 73.01 H new ATOM 0 HD3 PRO A 28 1.958 5.675 -14.106 1.00 73.01 H new ATOM 462 N ASP A 29 5.296 6.512 -11.216 1.00 43.51 N ATOM 463 CA ASP A 29 6.045 6.817 -10.002 1.00 63.14 C ATOM 464 C ASP A 29 5.106 6.983 -8.812 1.00 23.13 C ATOM 465 O ASP A 29 5.155 7.990 -8.107 1.00 5.23 O ATOM 466 CB ASP A 29 6.875 8.088 -10.195 1.00 33.53 C ATOM 467 CG ASP A 29 8.175 8.053 -9.416 1.00 43.24 C ATOM 468 OD1 ASP A 29 9.153 7.462 -9.921 1.00 4.15 O ATOM 469 OD2 ASP A 29 8.215 8.618 -8.304 1.00 4.13 O ATOM 0 H ASP A 29 4.283 6.508 -11.097 1.00 43.51 H new ATOM 0 HA ASP A 29 6.716 5.982 -9.799 1.00 63.14 H new ATOM 0 HB2 ASP A 29 7.093 8.219 -11.255 1.00 33.53 H new ATOM 0 HB3 ASP A 29 6.290 8.952 -9.881 1.00 33.53 H new ATOM 474 N GLU A 30 4.252 5.988 -8.595 1.00 74.12 N ATOM 475 CA GLU A 30 3.300 6.026 -7.491 1.00 23.33 C ATOM 476 C GLU A 30 2.510 7.331 -7.498 1.00 11.11 C ATOM 477 O GLU A 30 2.903 8.311 -6.865 1.00 15.23 O ATOM 478 CB GLU A 30 4.029 5.865 -6.155 1.00 0.41 C ATOM 479 CG GLU A 30 4.880 4.609 -6.073 1.00 11.22 C ATOM 480 CD GLU A 30 6.232 4.861 -5.433 1.00 74.11 C ATOM 481 OE1 GLU A 30 7.258 4.562 -6.079 1.00 52.44 O ATOM 482 OE2 GLU A 30 6.263 5.356 -4.287 1.00 64.32 O ATOM 0 H GLU A 30 4.200 5.146 -9.169 1.00 74.12 H new ATOM 0 HA GLU A 30 2.602 5.199 -7.618 1.00 23.33 H new ATOM 0 HB2 GLU A 30 4.664 6.735 -5.990 1.00 0.41 H new ATOM 0 HB3 GLU A 30 3.295 5.849 -5.350 1.00 0.41 H new ATOM 0 HG2 GLU A 30 4.347 3.850 -5.500 1.00 11.22 H new ATOM 0 HG3 GLU A 30 5.026 4.207 -7.076 1.00 11.22 H new ATOM 489 N VAL A 31 1.394 7.336 -8.220 1.00 14.24 N ATOM 490 CA VAL A 31 0.547 8.520 -8.310 1.00 31.23 C ATOM 491 C VAL A 31 -0.640 8.420 -7.359 1.00 34.23 C ATOM 492 O VAL A 31 -1.611 9.167 -7.481 1.00 0.44 O ATOM 493 CB VAL A 31 0.026 8.729 -9.744 1.00 13.11 C ATOM 494 CG1 VAL A 31 1.180 8.991 -10.699 1.00 3.21 C ATOM 495 CG2 VAL A 31 -0.788 7.526 -10.196 1.00 21.34 C ATOM 0 H VAL A 31 1.055 6.534 -8.751 1.00 14.24 H new ATOM 0 HA VAL A 31 1.164 9.373 -8.028 1.00 31.23 H new ATOM 0 HB VAL A 31 -0.625 9.603 -9.751 1.00 13.11 H new ATOM 0 HG11 VAL A 31 0.792 9.136 -11.707 1.00 3.21 H new ATOM 0 HG12 VAL A 31 1.717 9.886 -10.384 1.00 3.21 H new ATOM 0 HG13 VAL A 31 1.860 8.139 -10.691 1.00 3.21 H new ATOM 0 HG21 VAL A 31 -1.148 7.691 -11.211 1.00 21.34 H new ATOM 0 HG22 VAL A 31 -0.162 6.634 -10.174 1.00 21.34 H new ATOM 0 HG23 VAL A 31 -1.638 7.390 -9.527 1.00 21.34 H new ATOM 505 N ARG A 32 -0.556 7.492 -6.411 1.00 71.33 N ATOM 506 CA ARG A 32 -1.624 7.293 -5.439 1.00 53.11 C ATOM 507 C ARG A 32 -1.386 8.137 -4.190 1.00 74.02 C ATOM 508 O ARG A 32 -2.332 8.613 -3.561 1.00 43.24 O ATOM 509 CB ARG A 32 -1.727 5.815 -5.057 1.00 50.41 C ATOM 510 CG ARG A 32 -0.453 5.254 -4.448 1.00 64.44 C ATOM 511 CD ARG A 32 -0.589 5.065 -2.946 1.00 10.44 C ATOM 512 NE ARG A 32 0.694 4.772 -2.312 1.00 73.00 N ATOM 513 CZ ARG A 32 0.815 4.351 -1.058 1.00 73.41 C ATOM 514 NH1 ARG A 32 -0.264 4.174 -0.308 1.00 20.34 N ATOM 515 NH2 ARG A 32 2.017 4.105 -0.553 1.00 34.44 N ATOM 0 H ARG A 32 0.241 6.866 -6.296 1.00 71.33 H new ATOM 0 HA ARG A 32 -2.561 7.609 -5.897 1.00 53.11 H new ATOM 0 HB2 ARG A 32 -2.545 5.688 -4.348 1.00 50.41 H new ATOM 0 HB3 ARG A 32 -1.981 5.236 -5.945 1.00 50.41 H new ATOM 0 HG2 ARG A 32 -0.215 4.299 -4.916 1.00 64.44 H new ATOM 0 HG3 ARG A 32 0.378 5.927 -4.657 1.00 64.44 H new ATOM 0 HD2 ARG A 32 -1.014 5.966 -2.504 1.00 10.44 H new ATOM 0 HD3 ARG A 32 -1.287 4.252 -2.745 1.00 10.44 H new ATOM 0 HE ARG A 32 1.544 4.898 -2.862 1.00 73.00 H new ATOM 0 HH11 ARG A 32 -1.190 4.361 -0.694 1.00 20.34 H new ATOM 0 HH12 ARG A 32 -0.169 3.851 0.655 1.00 20.34 H new ATOM 0 HH21 ARG A 32 2.849 4.239 -1.128 1.00 34.44 H new ATOM 0 HH22 ARG A 32 2.109 3.782 0.410 1.00 34.44 H new ATOM 529 N ASP A 33 -0.119 8.317 -3.837 1.00 44.10 N ATOM 530 CA ASP A 33 0.244 9.104 -2.664 1.00 30.32 C ATOM 531 C ASP A 33 0.780 10.472 -3.072 1.00 2.43 C ATOM 532 O ASP A 33 0.571 11.465 -2.374 1.00 30.15 O ATOM 533 CB ASP A 33 1.288 8.361 -1.828 1.00 41.43 C ATOM 534 CG ASP A 33 1.689 9.131 -0.585 1.00 51.13 C ATOM 535 OD1 ASP A 33 2.859 9.012 -0.164 1.00 72.34 O ATOM 536 OD2 ASP A 33 0.833 9.854 -0.034 1.00 31.33 O ATOM 0 H ASP A 33 0.675 7.929 -4.346 1.00 44.10 H new ATOM 0 HA ASP A 33 -0.654 9.250 -2.063 1.00 30.32 H new ATOM 0 HB2 ASP A 33 0.891 7.388 -1.537 1.00 41.43 H new ATOM 0 HB3 ASP A 33 2.172 8.175 -2.438 1.00 41.43 H new ATOM 541 N ILE A 34 1.473 10.517 -4.205 1.00 11.13 N ATOM 542 CA ILE A 34 2.039 11.764 -4.705 1.00 32.32 C ATOM 543 C ILE A 34 1.390 12.172 -6.023 1.00 65.12 C ATOM 544 O ILE A 34 1.579 11.518 -7.050 1.00 2.51 O ATOM 545 CB ILE A 34 3.561 11.649 -4.908 1.00 42.31 C ATOM 546 CG1 ILE A 34 4.227 11.107 -3.642 1.00 64.30 C ATOM 547 CG2 ILE A 34 4.148 13.001 -5.284 1.00 44.43 C ATOM 548 CD1 ILE A 34 4.710 9.680 -3.777 1.00 61.44 C ATOM 0 H ILE A 34 1.656 9.705 -4.794 1.00 11.13 H new ATOM 0 HA ILE A 34 1.838 12.527 -3.953 1.00 32.32 H new ATOM 0 HB ILE A 34 3.752 10.952 -5.723 1.00 42.31 H new ATOM 0 HG12 ILE A 34 5.072 11.745 -3.384 1.00 64.30 H new ATOM 0 HG13 ILE A 34 3.519 11.166 -2.815 1.00 64.30 H new ATOM 0 HG21 ILE A 34 5.225 12.904 -5.424 1.00 44.43 H new ATOM 0 HG22 ILE A 34 3.692 13.351 -6.210 1.00 44.43 H new ATOM 0 HG23 ILE A 34 3.949 13.718 -4.488 1.00 44.43 H new ATOM 0 HD11 ILE A 34 5.171 9.362 -2.842 1.00 61.44 H new ATOM 0 HD12 ILE A 34 3.865 9.030 -4.004 1.00 61.44 H new ATOM 0 HD13 ILE A 34 5.442 9.618 -4.582 1.00 61.44 H new ATOM 560 N THR A 35 0.626 13.259 -5.989 1.00 33.11 N ATOM 561 CA THR A 35 -0.050 13.756 -7.181 1.00 34.44 C ATOM 562 C THR A 35 0.595 15.042 -7.683 1.00 50.00 C ATOM 563 O THR A 35 0.396 16.114 -7.110 1.00 33.24 O ATOM 564 CB THR A 35 -1.545 14.015 -6.912 1.00 3.54 C ATOM 565 OG1 THR A 35 -2.126 14.720 -8.015 1.00 22.34 O ATOM 566 CG2 THR A 35 -1.733 14.820 -5.634 1.00 64.21 C ATOM 0 H THR A 35 0.460 13.812 -5.148 1.00 33.11 H new ATOM 0 HA THR A 35 0.046 12.984 -7.944 1.00 34.44 H new ATOM 0 HB THR A 35 -2.043 13.052 -6.793 1.00 3.54 H new ATOM 0 HG1 THR A 35 -3.076 14.879 -7.837 1.00 22.34 H new ATOM 0 HG21 THR A 35 -2.796 14.991 -5.465 1.00 64.21 H new ATOM 0 HG22 THR A 35 -1.315 14.268 -4.792 1.00 64.21 H new ATOM 0 HG23 THR A 35 -1.222 15.778 -5.729 1.00 64.21 H new ATOM 574 N LEU A 36 1.368 14.930 -8.757 1.00 65.11 N ATOM 575 CA LEU A 36 2.043 16.085 -9.338 1.00 43.40 C ATOM 576 C LEU A 36 1.529 16.365 -10.746 1.00 50.35 C ATOM 577 O LEU A 36 1.055 15.473 -11.450 1.00 31.45 O ATOM 578 CB LEU A 36 3.555 15.854 -9.371 1.00 41.44 C ATOM 579 CG LEU A 36 4.374 16.617 -8.329 1.00 52.24 C ATOM 580 CD1 LEU A 36 4.203 15.991 -6.954 1.00 4.21 C ATOM 581 CD2 LEU A 36 5.843 16.649 -8.725 1.00 0.24 C ATOM 0 H LEU A 36 1.543 14.051 -9.243 1.00 65.11 H new ATOM 0 HA LEU A 36 1.828 16.952 -8.714 1.00 43.40 H new ATOM 0 HB2 LEU A 36 3.742 14.788 -9.242 1.00 41.44 H new ATOM 0 HB3 LEU A 36 3.922 16.124 -10.361 1.00 41.44 H new ATOM 0 HG LEU A 36 4.008 17.643 -8.286 1.00 52.24 H new ATOM 0 HD11 LEU A 36 4.793 16.547 -6.225 1.00 4.21 H new ATOM 0 HD12 LEU A 36 3.151 16.021 -6.669 1.00 4.21 H new ATOM 0 HD13 LEU A 36 4.542 14.955 -6.981 1.00 4.21 H new ATOM 0 HD21 LEU A 36 6.411 17.196 -7.972 1.00 0.24 H new ATOM 0 HD22 LEU A 36 6.223 15.630 -8.797 1.00 0.24 H new ATOM 0 HD23 LEU A 36 5.949 17.144 -9.690 1.00 0.24 H new ATOM 593 N PRO A 37 1.626 17.634 -11.171 1.00 34.01 N ATOM 594 CA PRO A 37 1.178 18.060 -12.500 1.00 12.40 C ATOM 595 C PRO A 37 2.067 17.517 -13.613 1.00 50.12 C ATOM 596 O PRO A 37 3.292 17.612 -13.543 1.00 32.42 O ATOM 597 CB PRO A 37 1.275 19.587 -12.434 1.00 64.44 C ATOM 598 CG PRO A 37 2.310 19.856 -11.397 1.00 33.25 C ATOM 599 CD PRO A 37 2.180 18.750 -10.386 1.00 60.20 C ATOM 0 HA PRO A 37 0.178 17.692 -12.731 1.00 12.40 H new ATOM 0 HB2 PRO A 37 1.562 20.008 -13.398 1.00 64.44 H new ATOM 0 HB3 PRO A 37 0.318 20.033 -12.163 1.00 64.44 H new ATOM 0 HG2 PRO A 37 3.308 19.869 -11.836 1.00 33.25 H new ATOM 0 HG3 PRO A 37 2.154 20.830 -10.933 1.00 33.25 H new ATOM 0 HD2 PRO A 37 3.143 18.493 -9.946 1.00 60.20 H new ATOM 0 HD3 PRO A 37 1.520 19.031 -9.566 1.00 60.20 H new ATOM 607 N GLU A 38 1.442 16.949 -14.640 1.00 31.13 N ATOM 608 CA GLU A 38 2.178 16.390 -15.767 1.00 43.45 C ATOM 609 C GLU A 38 1.235 16.043 -16.915 1.00 54.02 C ATOM 610 O GLU A 38 1.296 16.643 -17.987 1.00 65.15 O ATOM 611 CB GLU A 38 2.951 15.143 -15.333 1.00 45.42 C ATOM 612 CG GLU A 38 4.128 14.812 -16.236 1.00 31.42 C ATOM 613 CD GLU A 38 5.431 15.404 -15.737 1.00 24.04 C ATOM 614 OE1 GLU A 38 5.757 16.541 -16.137 1.00 45.14 O ATOM 615 OE2 GLU A 38 6.125 14.731 -14.946 1.00 43.21 O ATOM 0 H GLU A 38 0.428 16.864 -14.714 1.00 31.13 H new ATOM 0 HA GLU A 38 2.885 17.144 -16.115 1.00 43.45 H new ATOM 0 HB2 GLU A 38 3.314 15.286 -14.315 1.00 45.42 H new ATOM 0 HB3 GLU A 38 2.270 14.292 -15.312 1.00 45.42 H new ATOM 0 HG2 GLU A 38 4.230 13.729 -16.311 1.00 31.42 H new ATOM 0 HG3 GLU A 38 3.926 15.183 -17.241 1.00 31.42 H new ATOM 622 N GLY A 39 0.361 15.068 -16.681 1.00 52.40 N ATOM 623 CA GLY A 39 -0.583 14.657 -17.704 1.00 30.33 C ATOM 624 C GLY A 39 -0.617 13.153 -17.890 1.00 22.22 C ATOM 625 O GLY A 39 -1.387 12.638 -18.700 1.00 74.00 O ATOM 0 H GLY A 39 0.290 14.556 -15.802 1.00 52.40 H new ATOM 0 HA2 GLY A 39 -1.579 15.010 -17.438 1.00 30.33 H new ATOM 0 HA3 GLY A 39 -0.319 15.131 -18.649 1.00 30.33 H new ATOM 629 N SER A 40 0.222 12.446 -17.139 1.00 10.10 N ATOM 630 CA SER A 40 0.289 10.992 -17.229 1.00 50.21 C ATOM 631 C SER A 40 0.368 10.365 -15.841 1.00 33.15 C ATOM 632 O SER A 40 1.397 10.442 -15.170 1.00 1.53 O ATOM 633 CB SER A 40 1.499 10.567 -18.063 1.00 23.04 C ATOM 634 OG SER A 40 2.710 10.964 -17.443 1.00 2.40 O ATOM 0 H SER A 40 0.865 12.857 -16.462 1.00 10.10 H new ATOM 0 HA SER A 40 -0.621 10.640 -17.716 1.00 50.21 H new ATOM 0 HB2 SER A 40 1.492 9.485 -18.195 1.00 23.04 H new ATOM 0 HB3 SER A 40 1.433 11.010 -19.057 1.00 23.04 H new ATOM 0 HG SER A 40 2.672 10.753 -16.487 1.00 2.40 H new ATOM 640 N ASP A 41 -0.727 9.744 -15.416 1.00 72.21 N ATOM 641 CA ASP A 41 -0.784 9.102 -14.108 1.00 65.41 C ATOM 642 C ASP A 41 -0.703 7.584 -14.244 1.00 12.33 C ATOM 643 O ASP A 41 -0.208 6.896 -13.351 1.00 35.01 O ATOM 644 CB ASP A 41 -2.070 9.493 -13.379 1.00 5.52 C ATOM 645 CG ASP A 41 -3.184 8.487 -13.589 1.00 1.31 C ATOM 646 OD1 ASP A 41 -3.661 7.912 -12.588 1.00 53.41 O ATOM 647 OD2 ASP A 41 -3.579 8.275 -14.754 1.00 52.32 O ATOM 0 H ASP A 41 -1.588 9.672 -15.959 1.00 72.21 H new ATOM 0 HA ASP A 41 0.072 9.443 -13.526 1.00 65.41 H new ATOM 0 HB2 ASP A 41 -1.865 9.587 -12.312 1.00 5.52 H new ATOM 0 HB3 ASP A 41 -2.398 10.472 -13.728 1.00 5.52 H new ATOM 652 N VAL A 42 -1.194 7.069 -15.366 1.00 60.34 N ATOM 653 CA VAL A 42 -1.178 5.633 -15.619 1.00 62.13 C ATOM 654 C VAL A 42 -0.400 5.307 -16.890 1.00 14.44 C ATOM 655 O VAL A 42 -0.523 6.001 -17.899 1.00 44.21 O ATOM 656 CB VAL A 42 -2.606 5.069 -15.746 1.00 4.23 C ATOM 657 CG1 VAL A 42 -2.567 3.579 -16.049 1.00 43.35 C ATOM 658 CG2 VAL A 42 -3.400 5.343 -14.478 1.00 31.55 C ATOM 0 H VAL A 42 -1.608 7.625 -16.115 1.00 60.34 H new ATOM 0 HA VAL A 42 -0.686 5.167 -14.765 1.00 62.13 H new ATOM 0 HB VAL A 42 -3.104 5.571 -16.576 1.00 4.23 H new ATOM 0 HG11 VAL A 42 -3.585 3.198 -16.135 1.00 43.35 H new ATOM 0 HG12 VAL A 42 -2.037 3.412 -16.987 1.00 43.35 H new ATOM 0 HG13 VAL A 42 -2.052 3.057 -15.243 1.00 43.35 H new ATOM 0 HG21 VAL A 42 -4.406 4.938 -14.584 1.00 31.55 H new ATOM 0 HG22 VAL A 42 -2.906 4.869 -13.630 1.00 31.55 H new ATOM 0 HG23 VAL A 42 -3.457 6.418 -14.310 1.00 31.55 H new ATOM 668 N TRP A 43 0.398 4.248 -16.832 1.00 64.02 N ATOM 669 CA TRP A 43 1.196 3.830 -17.979 1.00 63.43 C ATOM 670 C TRP A 43 0.776 2.445 -18.458 1.00 63.55 C ATOM 671 O TRP A 43 0.954 1.452 -17.752 1.00 10.11 O ATOM 672 CB TRP A 43 2.683 3.829 -17.620 1.00 11.34 C ATOM 673 CG TRP A 43 3.553 4.416 -18.690 1.00 1.14 C ATOM 674 CD1 TRP A 43 3.317 4.407 -20.035 1.00 13.44 C ATOM 675 CD2 TRP A 43 4.799 5.096 -18.504 1.00 24.14 C ATOM 676 NE1 TRP A 43 4.341 5.041 -20.696 1.00 60.21 N ATOM 677 CE2 TRP A 43 5.263 5.473 -19.779 1.00 74.04 C ATOM 678 CE3 TRP A 43 5.568 5.425 -17.384 1.00 30.41 C ATOM 679 CZ2 TRP A 43 6.459 6.160 -19.963 1.00 44.23 C ATOM 680 CZ3 TRP A 43 6.756 6.106 -17.568 1.00 52.31 C ATOM 681 CH2 TRP A 43 7.192 6.469 -18.849 1.00 71.14 C ATOM 0 H TRP A 43 0.510 3.663 -16.004 1.00 64.02 H new ATOM 0 HA TRP A 43 1.025 4.541 -18.787 1.00 63.43 H new ATOM 0 HB2 TRP A 43 2.827 4.390 -16.697 1.00 11.34 H new ATOM 0 HB3 TRP A 43 3.001 2.805 -17.424 1.00 11.34 H new ATOM 0 HD1 TRP A 43 2.453 3.966 -20.509 1.00 13.44 H new ATOM 0 HE1 TRP A 43 4.405 5.169 -21.706 1.00 60.21 H new ATOM 0 HE3 TRP A 43 5.239 5.152 -16.392 1.00 30.41 H new ATOM 0 HZ2 TRP A 43 6.797 6.440 -20.950 1.00 44.23 H new ATOM 0 HZ3 TRP A 43 7.359 6.363 -16.710 1.00 52.31 H new ATOM 0 HH2 TRP A 43 8.124 7.003 -18.960 1.00 71.14 H new ATOM 692 N VAL A 44 0.218 2.384 -19.663 1.00 63.35 N ATOM 693 CA VAL A 44 -0.226 1.119 -20.237 1.00 42.24 C ATOM 694 C VAL A 44 0.801 0.572 -21.223 1.00 12.22 C ATOM 695 O VAL A 44 1.041 1.163 -22.276 1.00 42.14 O ATOM 696 CB VAL A 44 -1.579 1.274 -20.956 1.00 34.50 C ATOM 697 CG1 VAL A 44 -2.107 -0.083 -21.398 1.00 13.21 C ATOM 698 CG2 VAL A 44 -2.583 1.978 -20.055 1.00 61.24 C ATOM 0 H VAL A 44 0.063 3.196 -20.261 1.00 63.35 H new ATOM 0 HA VAL A 44 -0.340 0.419 -19.410 1.00 42.24 H new ATOM 0 HB VAL A 44 -1.431 1.887 -21.845 1.00 34.50 H new ATOM 0 HG11 VAL A 44 -3.064 0.046 -21.904 1.00 13.21 H new ATOM 0 HG12 VAL A 44 -1.395 -0.546 -22.081 1.00 13.21 H new ATOM 0 HG13 VAL A 44 -2.241 -0.723 -20.526 1.00 13.21 H new ATOM 0 HG21 VAL A 44 -3.534 2.079 -20.579 1.00 61.24 H new ATOM 0 HG22 VAL A 44 -2.730 1.393 -19.147 1.00 61.24 H new ATOM 0 HG23 VAL A 44 -2.206 2.967 -19.793 1.00 61.24 H new ATOM 708 N CYS A 45 1.403 -0.559 -20.874 1.00 60.20 N ATOM 709 CA CYS A 45 2.405 -1.187 -21.728 1.00 41.21 C ATOM 710 C CYS A 45 1.787 -2.307 -22.559 1.00 1.41 C ATOM 711 O CYS A 45 1.616 -3.428 -22.078 1.00 43.24 O ATOM 712 CB CYS A 45 3.554 -1.737 -20.882 1.00 31.51 C ATOM 713 SG CYS A 45 4.192 -0.572 -19.656 1.00 31.15 S ATOM 0 H CYS A 45 1.215 -1.060 -20.006 1.00 60.20 H new ATOM 0 HA CYS A 45 2.795 -0.429 -22.407 1.00 41.21 H new ATOM 0 HB2 CYS A 45 3.215 -2.637 -20.370 1.00 31.51 H new ATOM 0 HB3 CYS A 45 4.368 -2.034 -21.543 1.00 31.51 H new ATOM 0 HG CYS A 45 5.159 -1.130 -18.989 1.00 31.15 H new ATOM 719 N CYS A 46 1.453 -1.995 -23.806 1.00 75.21 N ATOM 720 CA CYS A 46 0.851 -2.975 -24.704 1.00 15.24 C ATOM 721 C CYS A 46 1.902 -3.943 -25.236 1.00 42.31 C ATOM 722 O CYS A 46 3.098 -3.772 -24.994 1.00 32.10 O ATOM 723 CB CYS A 46 0.153 -2.270 -25.868 1.00 12.23 C ATOM 724 SG CYS A 46 -1.280 -1.281 -25.380 1.00 10.23 S ATOM 0 H CYS A 46 1.589 -1.072 -24.218 1.00 75.21 H new ATOM 0 HA CYS A 46 0.113 -3.544 -24.139 1.00 15.24 H new ATOM 0 HB2 CYS A 46 0.872 -1.624 -26.371 1.00 12.23 H new ATOM 0 HB3 CYS A 46 -0.166 -3.018 -26.594 1.00 12.23 H new ATOM 0 HG CYS A 46 -1.801 -0.723 -26.432 1.00 10.23 H new ATOM 730 N LEU A 47 1.449 -4.960 -25.961 1.00 4.31 N ATOM 731 CA LEU A 47 2.351 -5.957 -26.527 1.00 21.10 C ATOM 732 C LEU A 47 3.229 -5.343 -27.613 1.00 22.42 C ATOM 733 O LEU A 47 2.911 -4.303 -28.189 1.00 34.01 O ATOM 734 CB LEU A 47 1.552 -7.128 -27.102 1.00 50.44 C ATOM 735 CG LEU A 47 1.276 -7.078 -28.606 1.00 5.34 C ATOM 736 CD1 LEU A 47 0.534 -8.327 -29.054 1.00 42.00 C ATOM 737 CD2 LEU A 47 0.485 -5.828 -28.961 1.00 55.15 C ATOM 0 H LEU A 47 0.463 -5.116 -26.171 1.00 4.31 H new ATOM 0 HA LEU A 47 2.996 -6.323 -25.728 1.00 21.10 H new ATOM 0 HB2 LEU A 47 2.089 -8.051 -26.882 1.00 50.44 H new ATOM 0 HB3 LEU A 47 0.597 -7.182 -26.579 1.00 50.44 H new ATOM 0 HG LEU A 47 2.231 -7.040 -29.131 1.00 5.34 H new ATOM 0 HD11 LEU A 47 0.346 -8.274 -30.126 1.00 42.00 H new ATOM 0 HD12 LEU A 47 1.138 -9.207 -28.835 1.00 42.00 H new ATOM 0 HD13 LEU A 47 -0.415 -8.397 -28.523 1.00 42.00 H new ATOM 0 HD21 LEU A 47 0.298 -5.809 -30.035 1.00 55.15 H new ATOM 0 HD22 LEU A 47 -0.465 -5.835 -28.427 1.00 55.15 H new ATOM 0 HD23 LEU A 47 1.055 -4.944 -28.676 1.00 55.15 H new ATOM 749 N PRO A 48 4.361 -6.003 -27.902 1.00 0.44 N ATOM 750 CA PRO A 48 5.307 -5.542 -28.922 1.00 41.21 C ATOM 751 C PRO A 48 4.750 -5.681 -30.335 1.00 33.34 C ATOM 752 O PRO A 48 4.615 -6.790 -30.852 1.00 60.21 O ATOM 753 CB PRO A 48 6.513 -6.464 -28.730 1.00 25.12 C ATOM 754 CG PRO A 48 5.952 -7.700 -28.116 1.00 14.44 C ATOM 755 CD PRO A 48 4.804 -7.249 -27.255 1.00 21.04 C ATOM 0 HA PRO A 48 5.541 -4.483 -28.812 1.00 41.21 H new ATOM 0 HB2 PRO A 48 7.001 -6.681 -29.680 1.00 25.12 H new ATOM 0 HB3 PRO A 48 7.262 -6.006 -28.084 1.00 25.12 H new ATOM 0 HG2 PRO A 48 5.615 -8.398 -28.882 1.00 14.44 H new ATOM 0 HG3 PRO A 48 6.705 -8.218 -27.522 1.00 14.44 H new ATOM 0 HD2 PRO A 48 4.007 -7.992 -27.226 1.00 21.04 H new ATOM 0 HD3 PRO A 48 5.117 -7.078 -26.225 1.00 21.04 H new ATOM 763 N ARG A 49 4.428 -4.550 -30.953 1.00 53.11 N ATOM 764 CA ARG A 49 3.884 -4.547 -32.306 1.00 1.31 C ATOM 765 C ARG A 49 4.089 -3.189 -32.971 1.00 44.11 C ATOM 766 O ARG A 49 4.303 -3.105 -34.181 1.00 23.13 O ATOM 767 CB ARG A 49 2.395 -4.894 -32.281 1.00 35.23 C ATOM 768 CG ARG A 49 1.521 -3.789 -31.710 1.00 30.12 C ATOM 769 CD ARG A 49 0.951 -2.906 -32.809 1.00 2.35 C ATOM 770 NE ARG A 49 -0.249 -3.483 -33.408 1.00 12.24 N ATOM 771 CZ ARG A 49 -0.769 -3.068 -34.558 1.00 2.04 C ATOM 772 NH1 ARG A 49 -0.196 -2.079 -35.229 1.00 41.22 N ATOM 773 NH2 ARG A 49 -1.864 -3.643 -35.038 1.00 64.42 N ATOM 0 H ARG A 49 4.534 -3.624 -30.539 1.00 53.11 H new ATOM 0 HA ARG A 49 4.416 -5.301 -32.886 1.00 1.31 H new ATOM 0 HB2 ARG A 49 2.066 -5.118 -33.296 1.00 35.23 H new ATOM 0 HB3 ARG A 49 2.252 -5.800 -31.692 1.00 35.23 H new ATOM 0 HG2 ARG A 49 0.706 -4.229 -31.135 1.00 30.12 H new ATOM 0 HG3 ARG A 49 2.106 -3.181 -31.020 1.00 30.12 H new ATOM 0 HD2 ARG A 49 0.715 -1.924 -32.399 1.00 2.35 H new ATOM 0 HD3 ARG A 49 1.705 -2.756 -33.581 1.00 2.35 H new ATOM 0 HE ARG A 49 -0.714 -4.247 -32.917 1.00 12.24 H new ATOM 0 HH11 ARG A 49 0.646 -1.635 -34.863 1.00 41.22 H new ATOM 0 HH12 ARG A 49 -0.597 -1.762 -36.112 1.00 41.22 H new ATOM 0 HH21 ARG A 49 -2.307 -4.404 -34.524 1.00 64.42 H new ATOM 0 HH22 ARG A 49 -2.263 -3.324 -35.921 1.00 64.42 H new ATOM 787 N ASP A 50 4.022 -2.129 -32.173 1.00 43.02 N ATOM 788 CA ASP A 50 4.201 -0.775 -32.684 1.00 43.21 C ATOM 789 C ASP A 50 5.508 -0.171 -32.178 1.00 71.52 C ATOM 790 O ASP A 50 5.728 1.035 -32.283 1.00 54.21 O ATOM 791 CB ASP A 50 3.023 0.109 -32.271 1.00 23.11 C ATOM 792 CG ASP A 50 2.310 0.717 -33.462 1.00 41.23 C ATOM 793 OD1 ASP A 50 2.184 1.959 -33.508 1.00 40.03 O ATOM 794 OD2 ASP A 50 1.879 -0.048 -34.349 1.00 74.43 O ATOM 0 H ASP A 50 3.845 -2.181 -31.170 1.00 43.02 H new ATOM 0 HA ASP A 50 4.243 -0.827 -33.772 1.00 43.21 H new ATOM 0 HB2 ASP A 50 2.315 -0.482 -31.690 1.00 23.11 H new ATOM 0 HB3 ASP A 50 3.382 0.906 -31.620 1.00 23.11 H new ATOM 799 N SER A 51 6.371 -1.019 -31.628 1.00 65.23 N ATOM 800 CA SER A 51 7.654 -0.569 -31.101 1.00 45.14 C ATOM 801 C SER A 51 7.462 0.250 -29.829 1.00 12.22 C ATOM 802 O SER A 51 7.764 1.444 -29.793 1.00 25.43 O ATOM 803 CB SER A 51 8.397 0.263 -32.149 1.00 74.23 C ATOM 804 OG SER A 51 9.797 0.219 -31.937 1.00 11.54 O ATOM 0 H SER A 51 6.205 -2.021 -31.536 1.00 65.23 H new ATOM 0 HA SER A 51 8.248 -1.450 -30.859 1.00 45.14 H new ATOM 0 HB2 SER A 51 8.165 -0.112 -33.146 1.00 74.23 H new ATOM 0 HB3 SER A 51 8.052 1.296 -32.109 1.00 74.23 H new ATOM 0 HG SER A 51 10.248 0.757 -32.620 1.00 11.54 H new ATOM 810 N LEU A 52 6.956 -0.399 -28.786 1.00 21.10 N ATOM 811 CA LEU A 52 6.722 0.268 -27.510 1.00 21.43 C ATOM 812 C LEU A 52 5.649 1.343 -27.646 1.00 32.23 C ATOM 813 O LEU A 52 5.953 2.534 -27.723 1.00 61.31 O ATOM 814 CB LEU A 52 8.020 0.889 -26.991 1.00 41.21 C ATOM 815 CG LEU A 52 8.704 0.152 -25.839 1.00 13.31 C ATOM 816 CD1 LEU A 52 9.150 -1.233 -26.281 1.00 43.42 C ATOM 817 CD2 LEU A 52 9.887 0.956 -25.319 1.00 61.34 C ATOM 0 H LEU A 52 6.700 -1.386 -28.799 1.00 21.10 H new ATOM 0 HA LEU A 52 6.373 -0.479 -26.797 1.00 21.43 H new ATOM 0 HB2 LEU A 52 8.724 0.957 -27.821 1.00 41.21 H new ATOM 0 HB3 LEU A 52 7.808 1.908 -26.668 1.00 41.21 H new ATOM 0 HG LEU A 52 7.985 0.037 -25.028 1.00 13.31 H new ATOM 0 HD11 LEU A 52 9.635 -1.742 -25.448 1.00 43.42 H new ATOM 0 HD12 LEU A 52 8.283 -1.809 -26.603 1.00 43.42 H new ATOM 0 HD13 LEU A 52 9.853 -1.142 -27.109 1.00 43.42 H new ATOM 0 HD21 LEU A 52 10.362 0.416 -24.500 1.00 61.34 H new ATOM 0 HD22 LEU A 52 10.608 1.103 -26.123 1.00 61.34 H new ATOM 0 HD23 LEU A 52 9.539 1.925 -24.962 1.00 61.34 H new ATOM 829 N THR A 53 4.390 0.915 -27.672 1.00 41.41 N ATOM 830 CA THR A 53 3.271 1.841 -27.797 1.00 62.24 C ATOM 831 C THR A 53 2.716 2.220 -26.429 1.00 51.45 C ATOM 832 O THR A 53 1.502 2.321 -26.247 1.00 52.10 O ATOM 833 CB THR A 53 2.138 1.240 -28.650 1.00 70.12 C ATOM 834 OG1 THR A 53 2.634 0.137 -29.417 1.00 40.01 O ATOM 835 CG2 THR A 53 1.548 2.288 -29.582 1.00 63.32 C ATOM 0 H THR A 53 4.120 -0.067 -27.608 1.00 41.41 H new ATOM 0 HA THR A 53 3.653 2.734 -28.291 1.00 62.24 H new ATOM 0 HB THR A 53 1.354 0.891 -27.978 1.00 70.12 H new ATOM 0 HG1 THR A 53 1.914 -0.511 -29.561 1.00 40.01 H new ATOM 0 HG21 THR A 53 0.750 1.840 -30.174 1.00 63.32 H new ATOM 0 HG22 THR A 53 1.145 3.112 -28.994 1.00 63.32 H new ATOM 0 HG23 THR A 53 2.326 2.663 -30.247 1.00 63.32 H new ATOM 843 N LEU A 54 3.611 2.431 -25.471 1.00 32.24 N ATOM 844 CA LEU A 54 3.210 2.801 -24.118 1.00 33.34 C ATOM 845 C LEU A 54 2.288 4.016 -24.136 1.00 21.02 C ATOM 846 O LEU A 54 2.654 5.078 -24.640 1.00 62.51 O ATOM 847 CB LEU A 54 4.443 3.094 -23.261 1.00 52.33 C ATOM 848 CG LEU A 54 5.582 2.078 -23.354 1.00 51.53 C ATOM 849 CD1 LEU A 54 6.886 2.770 -23.721 1.00 13.54 C ATOM 850 CD2 LEU A 54 5.729 1.320 -22.043 1.00 54.12 C ATOM 0 H LEU A 54 4.619 2.352 -25.606 1.00 32.24 H new ATOM 0 HA LEU A 54 2.666 1.962 -23.685 1.00 33.34 H new ATOM 0 HB2 LEU A 54 4.832 4.073 -23.542 1.00 52.33 H new ATOM 0 HB3 LEU A 54 4.129 3.163 -22.220 1.00 52.33 H new ATOM 0 HG LEU A 54 5.341 1.362 -24.140 1.00 51.53 H new ATOM 0 HD11 LEU A 54 7.685 2.031 -23.783 1.00 13.54 H new ATOM 0 HD12 LEU A 54 6.776 3.266 -24.685 1.00 13.54 H new ATOM 0 HD13 LEU A 54 7.133 3.509 -22.959 1.00 13.54 H new ATOM 0 HD21 LEU A 54 6.544 0.601 -22.128 1.00 54.12 H new ATOM 0 HD22 LEU A 54 5.947 2.023 -21.239 1.00 54.12 H new ATOM 0 HD23 LEU A 54 4.801 0.792 -21.822 1.00 54.12 H new ATOM 862 N SER A 55 1.092 3.853 -23.581 1.00 15.25 N ATOM 863 CA SER A 55 0.117 4.937 -23.534 1.00 75.53 C ATOM 864 C SER A 55 0.030 5.530 -22.132 1.00 10.15 C ATOM 865 O SER A 55 -0.408 4.868 -21.191 1.00 60.34 O ATOM 866 CB SER A 55 -1.260 4.432 -23.973 1.00 24.45 C ATOM 867 OG SER A 55 -1.998 5.456 -24.615 1.00 41.22 O ATOM 0 H SER A 55 0.774 2.981 -23.158 1.00 15.25 H new ATOM 0 HA SER A 55 0.446 5.718 -24.220 1.00 75.53 H new ATOM 0 HB2 SER A 55 -1.142 3.586 -24.650 1.00 24.45 H new ATOM 0 HB3 SER A 55 -1.812 4.071 -23.105 1.00 24.45 H new ATOM 0 HG SER A 55 -2.873 5.107 -24.887 1.00 41.22 H new ATOM 873 N ALA A 56 0.451 6.784 -21.999 1.00 61.42 N ATOM 874 CA ALA A 56 0.420 7.468 -20.713 1.00 11.22 C ATOM 875 C ALA A 56 -0.673 8.531 -20.683 1.00 33.01 C ATOM 876 O ALA A 56 -0.794 9.337 -21.605 1.00 4.22 O ATOM 877 CB ALA A 56 1.775 8.093 -20.415 1.00 13.34 C ATOM 0 H ALA A 56 0.818 7.346 -22.767 1.00 61.42 H new ATOM 0 HA ALA A 56 0.195 6.731 -19.942 1.00 11.22 H new ATOM 0 HB1 ALA A 56 1.737 8.601 -19.451 1.00 13.34 H new ATOM 0 HB2 ALA A 56 2.536 7.314 -20.385 1.00 13.34 H new ATOM 0 HB3 ALA A 56 2.023 8.813 -21.195 1.00 13.34 H new ATOM 883 N ALA A 57 -1.468 8.526 -19.618 1.00 33.41 N ATOM 884 CA ALA A 57 -2.551 9.490 -19.468 1.00 2.21 C ATOM 885 C ALA A 57 -2.904 9.695 -17.999 1.00 2.04 C ATOM 886 O ALA A 57 -2.867 8.756 -17.205 1.00 62.20 O ATOM 887 CB ALA A 57 -3.775 9.035 -20.248 1.00 50.34 C ATOM 0 H ALA A 57 -1.382 7.865 -18.846 1.00 33.41 H new ATOM 0 HA ALA A 57 -2.212 10.445 -19.870 1.00 2.21 H new ATOM 0 HB1 ALA A 57 -4.576 9.765 -20.127 1.00 50.34 H new ATOM 0 HB2 ALA A 57 -3.521 8.947 -21.304 1.00 50.34 H new ATOM 0 HB3 ALA A 57 -4.106 8.067 -19.873 1.00 50.34 H new ATOM 893 N ASN A 58 -3.245 10.929 -17.643 1.00 54.44 N ATOM 894 CA ASN A 58 -3.604 11.257 -16.268 1.00 41.43 C ATOM 895 C ASN A 58 -5.061 11.700 -16.177 1.00 32.11 C ATOM 896 O ASN A 58 -5.408 12.814 -16.568 1.00 1.54 O ATOM 897 CB ASN A 58 -2.690 12.360 -15.730 1.00 62.01 C ATOM 898 CG ASN A 58 -3.109 12.838 -14.354 1.00 15.34 C ATOM 899 OD1 ASN A 58 -3.907 12.191 -13.676 1.00 34.32 O ATOM 900 ND2 ASN A 58 -2.572 13.978 -13.934 1.00 53.13 N ATOM 0 H ASN A 58 -3.280 11.719 -18.288 1.00 54.44 H new ATOM 0 HA ASN A 58 -3.477 10.360 -15.662 1.00 41.43 H new ATOM 0 HB2 ASN A 58 -1.666 11.990 -15.687 1.00 62.01 H new ATOM 0 HB3 ASN A 58 -2.696 13.202 -16.422 1.00 62.01 H new ATOM 0 HD21 ASN A 58 -2.817 14.350 -13.016 1.00 53.13 H new ATOM 0 HD22 ASN A 58 -1.914 14.482 -14.529 1.00 53.13 H new ATOM 907 N SER A 59 -5.910 10.819 -15.657 1.00 60.35 N ATOM 908 CA SER A 59 -7.331 11.117 -15.517 1.00 65.42 C ATOM 909 C SER A 59 -7.927 11.559 -16.850 1.00 60.31 C ATOM 910 O SER A 59 -8.851 12.370 -16.889 1.00 50.33 O ATOM 911 CB SER A 59 -7.543 12.206 -14.464 1.00 73.31 C ATOM 912 OG SER A 59 -6.971 11.833 -13.222 1.00 52.13 O ATOM 0 H SER A 59 -5.639 9.893 -15.326 1.00 60.35 H new ATOM 0 HA SER A 59 -7.839 10.207 -15.196 1.00 65.42 H new ATOM 0 HB2 SER A 59 -7.098 13.140 -14.807 1.00 73.31 H new ATOM 0 HB3 SER A 59 -8.610 12.390 -14.336 1.00 73.31 H new ATOM 0 HG SER A 59 -5.995 11.899 -13.278 1.00 52.13 H new ATOM 918 N GLU A 60 -7.391 11.018 -17.940 1.00 4.23 N ATOM 919 CA GLU A 60 -7.869 11.357 -19.275 1.00 11.43 C ATOM 920 C GLU A 60 -8.437 10.128 -19.978 1.00 32.02 C ATOM 921 O GLU A 60 -9.315 10.240 -20.834 1.00 64.52 O ATOM 922 CB GLU A 60 -6.736 11.958 -20.109 1.00 61.25 C ATOM 923 CG GLU A 60 -6.488 13.431 -19.829 1.00 60.54 C ATOM 924 CD GLU A 60 -5.618 14.086 -20.884 1.00 1.51 C ATOM 925 OE1 GLU A 60 -4.695 13.416 -21.391 1.00 64.25 O ATOM 926 OE2 GLU A 60 -5.860 15.270 -21.201 1.00 63.43 O ATOM 0 H GLU A 60 -6.626 10.344 -17.924 1.00 4.23 H new ATOM 0 HA GLU A 60 -8.665 12.095 -19.172 1.00 11.43 H new ATOM 0 HB2 GLU A 60 -5.819 11.401 -19.916 1.00 61.25 H new ATOM 0 HB3 GLU A 60 -6.969 11.832 -21.166 1.00 61.25 H new ATOM 0 HG2 GLU A 60 -7.443 13.953 -19.776 1.00 60.54 H new ATOM 0 HG3 GLU A 60 -6.012 13.537 -18.854 1.00 60.54 H new ATOM 933 N ASP A 61 -7.930 8.957 -19.610 1.00 60.41 N ATOM 934 CA ASP A 61 -8.386 7.705 -20.204 1.00 53.44 C ATOM 935 C ASP A 61 -9.550 7.120 -19.411 1.00 73.21 C ATOM 936 O ASP A 61 -9.369 6.625 -18.299 1.00 42.12 O ATOM 937 CB ASP A 61 -7.238 6.697 -20.268 1.00 3.43 C ATOM 938 CG ASP A 61 -7.612 5.440 -21.027 1.00 33.21 C ATOM 939 OD1 ASP A 61 -7.011 5.188 -22.093 1.00 12.34 O ATOM 940 OD2 ASP A 61 -8.506 4.707 -20.555 1.00 60.51 O ATOM 0 H ASP A 61 -7.203 8.848 -18.903 1.00 60.41 H new ATOM 0 HA ASP A 61 -8.729 7.916 -21.217 1.00 53.44 H new ATOM 0 HB2 ASP A 61 -6.376 7.163 -20.745 1.00 3.43 H new ATOM 0 HB3 ASP A 61 -6.936 6.430 -19.255 1.00 3.43 H new ATOM 945 N GLU A 62 -10.745 7.181 -19.991 1.00 31.02 N ATOM 946 CA GLU A 62 -11.939 6.658 -19.336 1.00 44.22 C ATOM 947 C GLU A 62 -12.934 6.126 -20.363 1.00 42.35 C ATOM 948 O GLU A 62 -14.124 5.996 -20.081 1.00 70.40 O ATOM 949 CB GLU A 62 -12.599 7.746 -18.486 1.00 23.41 C ATOM 950 CG GLU A 62 -12.031 7.848 -17.080 1.00 62.32 C ATOM 951 CD GLU A 62 -13.078 8.237 -16.055 1.00 2.31 C ATOM 952 OE1 GLU A 62 -13.553 7.343 -15.324 1.00 4.04 O ATOM 953 OE2 GLU A 62 -13.423 9.435 -15.984 1.00 4.22 O ATOM 0 H GLU A 62 -10.912 7.587 -20.912 1.00 31.02 H new ATOM 0 HA GLU A 62 -11.636 5.835 -18.689 1.00 44.22 H new ATOM 0 HB2 GLU A 62 -12.482 8.707 -18.987 1.00 23.41 H new ATOM 0 HB3 GLU A 62 -13.669 7.547 -18.423 1.00 23.41 H new ATOM 0 HG2 GLU A 62 -11.591 6.891 -16.799 1.00 62.32 H new ATOM 0 HG3 GLU A 62 -11.227 8.584 -17.070 1.00 62.32 H new ATOM 960 N GLY A 63 -12.436 5.821 -21.558 1.00 52.43 N ATOM 961 CA GLY A 63 -13.294 5.308 -22.610 1.00 52.22 C ATOM 962 C GLY A 63 -13.796 3.908 -22.318 1.00 11.15 C ATOM 963 O GLY A 63 -14.791 3.734 -21.614 1.00 61.55 O ATOM 0 H GLY A 63 -11.454 5.920 -21.816 1.00 52.43 H new ATOM 0 HA2 GLY A 63 -14.145 5.976 -22.738 1.00 52.22 H new ATOM 0 HA3 GLY A 63 -12.746 5.305 -23.552 1.00 52.22 H new ATOM 967 N GLN A 64 -13.107 2.909 -22.859 1.00 73.14 N ATOM 968 CA GLN A 64 -13.491 1.517 -22.654 1.00 53.30 C ATOM 969 C GLN A 64 -12.307 0.693 -22.159 1.00 51.25 C ATOM 970 O GLN A 64 -11.249 0.670 -22.789 1.00 21.22 O ATOM 971 CB GLN A 64 -14.037 0.920 -23.952 1.00 60.11 C ATOM 972 CG GLN A 64 -15.553 0.809 -23.981 1.00 2.40 C ATOM 973 CD GLN A 64 -16.042 -0.260 -24.938 1.00 40.31 C ATOM 974 OE1 GLN A 64 -16.736 0.033 -25.912 1.00 41.32 O ATOM 975 NE2 GLN A 64 -15.682 -1.508 -24.665 1.00 61.44 N ATOM 0 H GLN A 64 -12.280 3.037 -23.442 1.00 73.14 H new ATOM 0 HA GLN A 64 -14.272 1.490 -21.894 1.00 53.30 H new ATOM 0 HB2 GLN A 64 -13.710 1.535 -24.791 1.00 60.11 H new ATOM 0 HB3 GLN A 64 -13.606 -0.071 -24.096 1.00 60.11 H new ATOM 0 HG2 GLN A 64 -15.916 0.587 -22.978 1.00 2.40 H new ATOM 0 HG3 GLN A 64 -15.978 1.771 -24.268 1.00 2.40 H new ATOM 0 HE21 GLN A 64 -15.106 -1.705 -23.847 1.00 61.44 H new ATOM 0 HE22 GLN A 64 -15.981 -2.270 -25.274 1.00 61.44 H new ATOM 984 N ILE A 65 -12.493 0.019 -21.030 1.00 4.25 N ATOM 985 CA ILE A 65 -11.440 -0.807 -20.452 1.00 4.54 C ATOM 986 C ILE A 65 -12.007 -2.103 -19.883 1.00 50.22 C ATOM 987 O ILE A 65 -13.103 -2.120 -19.324 1.00 14.44 O ATOM 988 CB ILE A 65 -10.685 -0.058 -19.337 1.00 43.24 C ATOM 989 CG1 ILE A 65 -9.622 -0.965 -18.713 1.00 14.43 C ATOM 990 CG2 ILE A 65 -11.658 0.435 -18.277 1.00 51.31 C ATOM 991 CD1 ILE A 65 -8.346 -0.239 -18.349 1.00 13.52 C ATOM 0 H ILE A 65 -13.363 0.028 -20.497 1.00 4.25 H new ATOM 0 HA ILE A 65 -10.744 -1.040 -21.258 1.00 4.54 H new ATOM 0 HB ILE A 65 -10.186 0.807 -19.774 1.00 43.24 H new ATOM 0 HG12 ILE A 65 -10.034 -1.431 -17.818 1.00 14.43 H new ATOM 0 HG13 ILE A 65 -9.387 -1.769 -19.411 1.00 14.43 H new ATOM 0 HG21 ILE A 65 -11.109 0.962 -17.496 1.00 51.31 H new ATOM 0 HG22 ILE A 65 -12.380 1.112 -18.733 1.00 51.31 H new ATOM 0 HG23 ILE A 65 -12.183 -0.415 -17.841 1.00 51.31 H new ATOM 0 HD11 ILE A 65 -7.638 -0.944 -17.912 1.00 13.52 H new ATOM 0 HD12 ILE A 65 -7.911 0.204 -19.245 1.00 13.52 H new ATOM 0 HD13 ILE A 65 -8.568 0.547 -17.627 1.00 13.52 H new ATOM 1003 N ARG A 66 -11.252 -3.187 -20.029 1.00 53.13 N ATOM 1004 CA ARG A 66 -11.680 -4.488 -19.530 1.00 25.31 C ATOM 1005 C ARG A 66 -10.621 -5.092 -18.611 1.00 73.34 C ATOM 1006 O ARG A 66 -9.428 -4.833 -18.768 1.00 1.03 O ATOM 1007 CB ARG A 66 -11.961 -5.438 -20.696 1.00 22.35 C ATOM 1008 CG ARG A 66 -13.326 -6.104 -20.623 1.00 44.53 C ATOM 1009 CD ARG A 66 -14.371 -5.315 -21.397 1.00 31.43 C ATOM 1010 NE ARG A 66 -14.804 -6.017 -22.602 1.00 51.13 N ATOM 1011 CZ ARG A 66 -15.794 -5.596 -23.382 1.00 31.22 C ATOM 1012 NH1 ARG A 66 -16.450 -4.483 -23.084 1.00 23.03 N ATOM 1013 NH2 ARG A 66 -16.130 -6.289 -24.462 1.00 63.43 N ATOM 0 H ARG A 66 -10.341 -3.190 -20.489 1.00 53.13 H new ATOM 0 HA ARG A 66 -12.596 -4.347 -18.957 1.00 25.31 H new ATOM 0 HB2 ARG A 66 -11.886 -4.884 -21.632 1.00 22.35 H new ATOM 0 HB3 ARG A 66 -11.191 -6.209 -20.720 1.00 22.35 H new ATOM 0 HG2 ARG A 66 -13.261 -7.115 -21.024 1.00 44.53 H new ATOM 0 HG3 ARG A 66 -13.634 -6.193 -19.581 1.00 44.53 H new ATOM 0 HD2 ARG A 66 -15.233 -5.129 -20.756 1.00 31.43 H new ATOM 0 HD3 ARG A 66 -13.962 -4.343 -21.671 1.00 31.43 H new ATOM 0 HE ARG A 66 -14.320 -6.877 -22.859 1.00 51.13 H new ATOM 0 HH11 ARG A 66 -16.195 -3.947 -22.254 1.00 23.03 H new ATOM 0 HH12 ARG A 66 -17.209 -4.162 -23.685 1.00 23.03 H new ATOM 0 HH21 ARG A 66 -15.628 -7.146 -24.695 1.00 63.43 H new ATOM 0 HH22 ARG A 66 -16.890 -5.965 -25.060 1.00 63.43 H new ATOM 1027 N TYR A 67 -11.067 -5.898 -17.654 1.00 0.11 N ATOM 1028 CA TYR A 67 -10.159 -6.536 -16.708 1.00 71.43 C ATOM 1029 C TYR A 67 -9.774 -7.935 -17.182 1.00 52.40 C ATOM 1030 O TYR A 67 -10.614 -8.832 -17.251 1.00 62.54 O ATOM 1031 CB TYR A 67 -10.804 -6.614 -15.323 1.00 62.54 C ATOM 1032 CG TYR A 67 -11.404 -5.306 -14.860 1.00 74.45 C ATOM 1033 CD1 TYR A 67 -12.747 -5.021 -15.077 1.00 0.11 C ATOM 1034 CD2 TYR A 67 -10.630 -4.356 -14.208 1.00 5.32 C ATOM 1035 CE1 TYR A 67 -13.300 -3.827 -14.656 1.00 51.24 C ATOM 1036 CE2 TYR A 67 -11.174 -3.160 -13.782 1.00 55.35 C ATOM 1037 CZ TYR A 67 -12.510 -2.900 -14.009 1.00 41.22 C ATOM 1038 OH TYR A 67 -13.056 -1.709 -13.588 1.00 52.14 O ATOM 0 H TYR A 67 -12.051 -6.125 -17.513 1.00 0.11 H new ATOM 0 HA TYR A 67 -9.255 -5.931 -16.646 1.00 71.43 H new ATOM 0 HB2 TYR A 67 -11.583 -7.377 -15.337 1.00 62.54 H new ATOM 0 HB3 TYR A 67 -10.055 -6.936 -14.600 1.00 62.54 H new ATOM 0 HD1 TYR A 67 -13.368 -5.745 -15.583 1.00 0.11 H new ATOM 0 HD2 TYR A 67 -9.584 -4.556 -14.031 1.00 5.32 H new ATOM 0 HE1 TYR A 67 -14.345 -3.621 -14.833 1.00 51.24 H new ATOM 0 HE2 TYR A 67 -10.558 -2.433 -13.274 1.00 55.35 H new ATOM 0 HH TYR A 67 -12.365 -1.169 -13.149 1.00 52.14 H new ATOM 1048 N PHE A 68 -8.498 -8.112 -17.507 1.00 2.34 N ATOM 1049 CA PHE A 68 -7.999 -9.400 -17.974 1.00 55.13 C ATOM 1050 C PHE A 68 -7.271 -10.140 -16.856 1.00 51.21 C ATOM 1051 O PHE A 68 -6.584 -9.529 -16.037 1.00 3.24 O ATOM 1052 CB PHE A 68 -7.062 -9.205 -19.168 1.00 23.24 C ATOM 1053 CG PHE A 68 -7.353 -10.129 -20.316 1.00 4.14 C ATOM 1054 CD1 PHE A 68 -8.583 -10.099 -20.951 1.00 74.41 C ATOM 1055 CD2 PHE A 68 -6.395 -11.027 -20.759 1.00 33.32 C ATOM 1056 CE1 PHE A 68 -8.854 -10.948 -22.008 1.00 53.11 C ATOM 1057 CE2 PHE A 68 -6.660 -11.878 -21.816 1.00 13.25 C ATOM 1058 CZ PHE A 68 -7.892 -11.839 -22.440 1.00 44.01 C ATOM 0 H PHE A 68 -7.790 -7.379 -17.456 1.00 2.34 H new ATOM 0 HA PHE A 68 -8.853 -10.001 -18.286 1.00 55.13 H new ATOM 0 HB2 PHE A 68 -7.137 -8.174 -19.514 1.00 23.24 H new ATOM 0 HB3 PHE A 68 -6.033 -9.357 -18.841 1.00 23.24 H new ATOM 0 HD1 PHE A 68 -9.339 -9.404 -20.617 1.00 74.41 H new ATOM 0 HD2 PHE A 68 -5.431 -11.062 -20.273 1.00 33.32 H new ATOM 0 HE1 PHE A 68 -9.817 -10.914 -22.495 1.00 53.11 H new ATOM 0 HE2 PHE A 68 -5.905 -12.572 -22.153 1.00 13.25 H new ATOM 0 HZ PHE A 68 -8.102 -12.504 -23.264 1.00 44.01 H new ATOM 1068 N LEU A 69 -7.427 -11.459 -16.828 1.00 40.34 N ATOM 1069 CA LEU A 69 -6.785 -12.284 -15.811 1.00 11.22 C ATOM 1070 C LEU A 69 -7.097 -13.761 -16.031 1.00 43.41 C ATOM 1071 O LEU A 69 -6.207 -14.582 -16.252 1.00 45.14 O ATOM 1072 CB LEU A 69 -7.244 -11.857 -14.416 1.00 10.44 C ATOM 1073 CG LEU A 69 -6.182 -11.204 -13.530 1.00 40.53 C ATOM 1074 CD1 LEU A 69 -6.630 -9.817 -13.094 1.00 64.10 C ATOM 1075 CD2 LEU A 69 -5.887 -12.076 -12.319 1.00 61.43 C ATOM 0 H LEU A 69 -7.993 -11.980 -17.498 1.00 40.34 H new ATOM 0 HA LEU A 69 -5.707 -12.143 -15.892 1.00 11.22 H new ATOM 0 HB2 LEU A 69 -8.075 -11.160 -14.526 1.00 10.44 H new ATOM 0 HB3 LEU A 69 -7.631 -12.735 -13.898 1.00 10.44 H new ATOM 0 HG LEU A 69 -5.265 -11.102 -14.111 1.00 40.53 H new ATOM 0 HD11 LEU A 69 -5.862 -9.368 -12.464 1.00 64.10 H new ATOM 0 HD12 LEU A 69 -6.789 -9.193 -13.973 1.00 64.10 H new ATOM 0 HD13 LEU A 69 -7.560 -9.895 -12.531 1.00 64.10 H new ATOM 0 HD21 LEU A 69 -5.129 -11.595 -11.700 1.00 61.43 H new ATOM 0 HD22 LEU A 69 -6.799 -12.211 -11.737 1.00 61.43 H new ATOM 0 HD23 LEU A 69 -5.521 -13.048 -12.651 1.00 61.43 H new ATOM 1087 N PRO A 70 -8.391 -14.108 -15.972 1.00 1.15 N ATOM 1088 CA PRO A 70 -8.850 -15.487 -16.165 1.00 12.54 C ATOM 1089 C PRO A 70 -8.690 -15.954 -17.607 1.00 61.31 C ATOM 1090 O PRO A 70 -8.813 -17.143 -17.901 1.00 62.43 O ATOM 1091 CB PRO A 70 -10.332 -15.423 -15.784 1.00 64.35 C ATOM 1092 CG PRO A 70 -10.724 -14.006 -16.023 1.00 3.01 C ATOM 1093 CD PRO A 70 -9.505 -13.181 -15.712 1.00 35.33 C ATOM 0 HA PRO A 70 -8.273 -16.196 -15.571 1.00 12.54 H new ATOM 0 HB2 PRO A 70 -10.927 -16.106 -16.391 1.00 64.35 H new ATOM 0 HB3 PRO A 70 -10.486 -15.706 -14.743 1.00 64.35 H new ATOM 0 HG2 PRO A 70 -11.043 -13.858 -17.055 1.00 3.01 H new ATOM 0 HG3 PRO A 70 -11.562 -13.720 -15.387 1.00 3.01 H new ATOM 0 HD2 PRO A 70 -9.447 -12.295 -16.345 1.00 35.33 H new ATOM 0 HD3 PRO A 70 -9.507 -12.835 -14.678 1.00 35.33 H new ATOM 1101 N ASP A 71 -8.415 -15.012 -18.502 1.00 63.34 N ATOM 1102 CA ASP A 71 -8.236 -15.329 -19.915 1.00 1.33 C ATOM 1103 C ASP A 71 -9.407 -16.153 -20.439 1.00 73.05 C ATOM 1104 O ASP A 71 -9.235 -17.016 -21.301 1.00 14.32 O ATOM 1105 CB ASP A 71 -6.926 -16.089 -20.127 1.00 44.52 C ATOM 1106 CG ASP A 71 -5.724 -15.166 -20.183 1.00 61.04 C ATOM 1107 OD1 ASP A 71 -4.618 -15.650 -20.504 1.00 72.34 O ATOM 1108 OD2 ASP A 71 -5.889 -13.960 -19.907 1.00 52.43 O ATOM 0 H ASP A 71 -8.311 -14.023 -18.275 1.00 63.34 H new ATOM 0 HA ASP A 71 -8.197 -14.392 -20.470 1.00 1.33 H new ATOM 0 HB2 ASP A 71 -6.791 -16.808 -19.319 1.00 44.52 H new ATOM 0 HB3 ASP A 71 -6.986 -16.659 -21.054 1.00 44.52 H new ATOM 1113 N ARG A 72 -10.597 -15.882 -19.914 1.00 34.23 N ATOM 1114 CA ARG A 72 -11.797 -16.600 -20.327 1.00 62.45 C ATOM 1115 C ARG A 72 -12.918 -15.628 -20.683 1.00 5.32 C ATOM 1116 O ARG A 72 -14.095 -15.985 -20.653 1.00 14.51 O ATOM 1117 CB ARG A 72 -12.260 -17.545 -19.217 1.00 21.01 C ATOM 1118 CG ARG A 72 -12.803 -18.869 -19.730 1.00 40.43 C ATOM 1119 CD ARG A 72 -14.028 -19.310 -18.945 1.00 22.52 C ATOM 1120 NE ARG A 72 -13.887 -20.670 -18.430 1.00 42.10 N ATOM 1121 CZ ARG A 72 -14.873 -21.340 -17.844 1.00 3.33 C ATOM 1122 NH1 ARG A 72 -16.065 -20.779 -17.699 1.00 53.30 N ATOM 1123 NH2 ARG A 72 -14.667 -22.574 -17.401 1.00 41.41 N ATOM 0 H ARG A 72 -10.756 -15.170 -19.201 1.00 34.23 H new ATOM 0 HA ARG A 72 -11.552 -17.185 -21.214 1.00 62.45 H new ATOM 0 HB2 ARG A 72 -11.424 -17.741 -18.546 1.00 21.01 H new ATOM 0 HB3 ARG A 72 -13.032 -17.049 -18.628 1.00 21.01 H new ATOM 0 HG2 ARG A 72 -13.060 -18.774 -20.785 1.00 40.43 H new ATOM 0 HG3 ARG A 72 -12.029 -19.633 -19.658 1.00 40.43 H new ATOM 0 HD2 ARG A 72 -14.193 -18.623 -18.115 1.00 22.52 H new ATOM 0 HD3 ARG A 72 -14.908 -19.254 -19.585 1.00 22.52 H new ATOM 0 HE ARG A 72 -12.982 -21.130 -18.526 1.00 42.10 H new ATOM 0 HH11 ARG A 72 -16.227 -19.831 -18.038 1.00 53.30 H new ATOM 0 HH12 ARG A 72 -16.820 -21.296 -17.249 1.00 53.30 H new ATOM 0 HH21 ARG A 72 -13.751 -23.009 -17.510 1.00 41.41 H new ATOM 0 HH22 ARG A 72 -15.425 -23.088 -16.951 1.00 41.41 H new ATOM 1137 N ASP A 73 -12.542 -14.398 -21.018 1.00 74.21 N ATOM 1138 CA ASP A 73 -13.515 -13.374 -21.380 1.00 14.13 C ATOM 1139 C ASP A 73 -13.696 -13.306 -22.893 1.00 33.30 C ATOM 1140 O ASP A 73 -13.921 -12.234 -23.453 1.00 14.01 O ATOM 1141 CB ASP A 73 -13.075 -12.010 -20.845 1.00 21.41 C ATOM 1142 CG ASP A 73 -14.189 -10.983 -20.891 1.00 42.14 C ATOM 1143 OD1 ASP A 73 -13.912 -9.795 -20.623 1.00 12.13 O ATOM 1144 OD2 ASP A 73 -15.337 -11.367 -21.197 1.00 41.32 O ATOM 0 H ASP A 73 -11.571 -14.086 -21.046 1.00 74.21 H new ATOM 0 HA ASP A 73 -14.471 -13.641 -20.930 1.00 14.13 H new ATOM 0 HB2 ASP A 73 -12.729 -12.121 -19.817 1.00 21.41 H new ATOM 0 HB3 ASP A 73 -12.228 -11.650 -21.429 1.00 21.41 H new ATOM 1149 N GLU A 74 -13.595 -14.459 -23.548 1.00 50.41 N ATOM 1150 CA GLU A 74 -13.746 -14.529 -24.997 1.00 3.32 C ATOM 1151 C GLU A 74 -12.704 -13.660 -25.695 1.00 4.51 C ATOM 1152 O GLU A 74 -13.014 -12.939 -26.643 1.00 32.34 O ATOM 1153 CB GLU A 74 -15.152 -14.087 -25.408 1.00 21.14 C ATOM 1154 CG GLU A 74 -16.260 -14.855 -24.706 1.00 51.34 C ATOM 1155 CD GLU A 74 -17.533 -14.922 -25.528 1.00 21.32 C ATOM 1156 OE1 GLU A 74 -18.111 -13.853 -25.814 1.00 41.22 O ATOM 1157 OE2 GLU A 74 -17.951 -16.044 -25.884 1.00 11.32 O ATOM 0 H GLU A 74 -13.410 -15.356 -23.099 1.00 50.41 H new ATOM 0 HA GLU A 74 -13.595 -15.564 -25.302 1.00 3.32 H new ATOM 0 HB2 GLU A 74 -15.267 -13.024 -25.195 1.00 21.14 H new ATOM 0 HB3 GLU A 74 -15.262 -14.210 -26.485 1.00 21.14 H new ATOM 0 HG2 GLU A 74 -15.916 -15.867 -24.492 1.00 51.34 H new ATOM 0 HG3 GLU A 74 -16.475 -14.382 -23.748 1.00 51.34 H new ATOM 1164 N GLY A 75 -11.465 -13.733 -25.218 1.00 4.23 N ATOM 1165 CA GLY A 75 -10.395 -12.948 -25.806 1.00 54.15 C ATOM 1166 C GLY A 75 -9.091 -13.715 -25.890 1.00 22.35 C ATOM 1167 O GLY A 75 -8.349 -13.588 -26.863 1.00 1.50 O ATOM 0 H GLY A 75 -11.183 -14.322 -24.434 1.00 4.23 H new ATOM 0 HA2 GLY A 75 -10.690 -12.629 -26.806 1.00 54.15 H new ATOM 0 HA3 GLY A 75 -10.244 -12.045 -25.215 1.00 54.15 H new ATOM 1171 N MET A 76 -8.810 -14.514 -24.865 1.00 5.30 N ATOM 1172 CA MET A 76 -7.585 -15.304 -24.827 1.00 23.35 C ATOM 1173 C MET A 76 -7.407 -16.095 -26.119 1.00 35.33 C ATOM 1174 O MET A 76 -6.284 -16.350 -26.552 1.00 32.53 O ATOM 1175 CB MET A 76 -7.605 -16.257 -23.630 1.00 21.40 C ATOM 1176 CG MET A 76 -6.468 -17.267 -23.638 1.00 13.22 C ATOM 1177 SD MET A 76 -7.035 -18.948 -23.959 1.00 22.21 S ATOM 1178 CE MET A 76 -5.497 -19.856 -23.817 1.00 74.22 C ATOM 0 H MET A 76 -9.413 -14.631 -24.051 1.00 5.30 H new ATOM 0 HA MET A 76 -6.744 -14.619 -24.723 1.00 23.35 H new ATOM 0 HB2 MET A 76 -7.555 -15.674 -22.711 1.00 21.40 H new ATOM 0 HB3 MET A 76 -8.555 -16.792 -23.617 1.00 21.40 H new ATOM 0 HG2 MET A 76 -5.740 -16.982 -24.397 1.00 13.22 H new ATOM 0 HG3 MET A 76 -5.955 -17.238 -22.677 1.00 13.22 H new ATOM 0 HE1 MET A 76 -5.683 -20.916 -23.990 1.00 74.22 H new ATOM 0 HE2 MET A 76 -4.787 -19.487 -24.557 1.00 74.22 H new ATOM 0 HE3 MET A 76 -5.084 -19.719 -22.818 1.00 74.22 H new ATOM 1188 N MET A 77 -8.523 -16.481 -26.729 1.00 53.31 N ATOM 1189 CA MET A 77 -8.490 -17.242 -27.972 1.00 62.24 C ATOM 1190 C MET A 77 -7.787 -16.454 -29.074 1.00 34.34 C ATOM 1191 O MET A 77 -7.003 -17.010 -29.842 1.00 54.13 O ATOM 1192 CB MET A 77 -9.910 -17.602 -28.413 1.00 61.23 C ATOM 1193 CG MET A 77 -10.818 -16.395 -28.582 1.00 72.13 C ATOM 1194 SD MET A 77 -12.528 -16.855 -28.925 1.00 44.23 S ATOM 1195 CE MET A 77 -12.530 -16.839 -30.716 1.00 43.34 C ATOM 0 H MET A 77 -9.461 -16.279 -26.383 1.00 53.31 H new ATOM 0 HA MET A 77 -7.930 -18.160 -27.792 1.00 62.24 H new ATOM 0 HB2 MET A 77 -9.862 -18.145 -29.357 1.00 61.23 H new ATOM 0 HB3 MET A 77 -10.350 -18.277 -27.679 1.00 61.23 H new ATOM 0 HG2 MET A 77 -10.783 -15.789 -27.676 1.00 72.13 H new ATOM 0 HG3 MET A 77 -10.443 -15.774 -29.395 1.00 72.13 H new ATOM 0 HE1 MET A 77 -13.410 -17.367 -31.084 1.00 43.34 H new ATOM 0 HE2 MET A 77 -12.551 -15.809 -31.071 1.00 43.34 H new ATOM 0 HE3 MET A 77 -11.630 -17.331 -31.085 1.00 43.34 H new ATOM 1205 N GLU A 78 -8.075 -15.158 -29.143 1.00 65.23 N ATOM 1206 CA GLU A 78 -7.470 -14.296 -30.152 1.00 12.20 C ATOM 1207 C GLU A 78 -6.172 -13.682 -29.636 1.00 23.30 C ATOM 1208 O GLU A 78 -5.327 -13.245 -30.417 1.00 13.12 O ATOM 1209 CB GLU A 78 -8.445 -13.188 -30.558 1.00 5.02 C ATOM 1210 CG GLU A 78 -9.628 -13.686 -31.370 1.00 13.11 C ATOM 1211 CD GLU A 78 -10.953 -13.157 -30.855 1.00 21.12 C ATOM 1212 OE1 GLU A 78 -11.431 -12.134 -31.389 1.00 62.41 O ATOM 1213 OE2 GLU A 78 -11.511 -13.765 -29.918 1.00 32.20 O ATOM 0 H GLU A 78 -8.722 -14.683 -28.514 1.00 65.23 H new ATOM 0 HA GLU A 78 -7.240 -14.907 -31.025 1.00 12.20 H new ATOM 0 HB2 GLU A 78 -8.814 -12.693 -29.660 1.00 5.02 H new ATOM 0 HB3 GLU A 78 -7.908 -12.437 -31.137 1.00 5.02 H new ATOM 0 HG2 GLU A 78 -9.501 -13.387 -32.411 1.00 13.11 H new ATOM 0 HG3 GLU A 78 -9.644 -14.776 -31.351 1.00 13.11 H new ATOM 1220 N GLU A 79 -6.021 -13.654 -28.315 1.00 52.04 N ATOM 1221 CA GLU A 79 -4.827 -13.093 -27.695 1.00 43.13 C ATOM 1222 C GLU A 79 -3.864 -14.198 -27.270 1.00 33.03 C ATOM 1223 O GLU A 79 -2.995 -13.988 -26.425 1.00 41.21 O ATOM 1224 CB GLU A 79 -5.207 -12.238 -26.484 1.00 71.43 C ATOM 1225 CG GLU A 79 -6.214 -11.146 -26.802 1.00 41.24 C ATOM 1226 CD GLU A 79 -5.848 -10.359 -28.046 1.00 61.31 C ATOM 1227 OE1 GLU A 79 -6.354 -10.703 -29.135 1.00 20.00 O ATOM 1228 OE2 GLU A 79 -5.056 -9.401 -27.931 1.00 63.00 O ATOM 0 H GLU A 79 -6.710 -14.013 -27.655 1.00 52.04 H new ATOM 0 HA GLU A 79 -4.328 -12.464 -28.432 1.00 43.13 H new ATOM 0 HB2 GLU A 79 -5.617 -12.884 -25.708 1.00 71.43 H new ATOM 0 HB3 GLU A 79 -4.306 -11.781 -26.075 1.00 71.43 H new ATOM 0 HG2 GLU A 79 -7.199 -11.593 -26.936 1.00 41.24 H new ATOM 0 HG3 GLU A 79 -6.286 -10.465 -25.954 1.00 41.24 H new ATOM 1235 N GLY A 80 -4.028 -15.378 -27.862 1.00 3.55 N ATOM 1236 CA GLY A 80 -3.168 -16.499 -27.531 1.00 2.21 C ATOM 1237 C GLY A 80 -3.209 -17.591 -28.582 1.00 11.44 C ATOM 1238 O GLY A 80 -2.189 -18.210 -28.885 1.00 51.44 O ATOM 0 H GLY A 80 -4.741 -15.577 -28.564 1.00 3.55 H new ATOM 0 HA2 GLY A 80 -2.143 -16.146 -27.418 1.00 2.21 H new ATOM 0 HA3 GLY A 80 -3.470 -16.913 -26.569 1.00 2.21 H new ATOM 1242 N LYS A 81 -4.392 -17.830 -29.138 1.00 2.22 N ATOM 1243 CA LYS A 81 -4.564 -18.855 -30.161 1.00 4.34 C ATOM 1244 C LYS A 81 -4.635 -18.230 -31.550 1.00 73.03 C ATOM 1245 O LYS A 81 -5.143 -18.841 -32.492 1.00 22.45 O ATOM 1246 CB LYS A 81 -5.831 -19.668 -29.889 1.00 55.32 C ATOM 1247 CG LYS A 81 -5.654 -21.161 -30.104 1.00 53.24 C ATOM 1248 CD LYS A 81 -4.901 -21.805 -28.953 1.00 11.34 C ATOM 1249 CE LYS A 81 -5.846 -22.241 -27.843 1.00 41.13 C ATOM 1250 NZ LYS A 81 -6.410 -23.596 -28.096 1.00 4.13 N ATOM 0 H LYS A 81 -5.246 -17.327 -28.897 1.00 2.22 H new ATOM 0 HA LYS A 81 -3.700 -19.519 -30.125 1.00 4.34 H new ATOM 0 HB2 LYS A 81 -6.151 -19.493 -28.862 1.00 55.32 H new ATOM 0 HB3 LYS A 81 -6.630 -19.308 -30.538 1.00 55.32 H new ATOM 0 HG2 LYS A 81 -6.631 -21.633 -30.210 1.00 53.24 H new ATOM 0 HG3 LYS A 81 -5.114 -21.334 -31.035 1.00 53.24 H new ATOM 0 HD2 LYS A 81 -4.345 -22.668 -29.318 1.00 11.34 H new ATOM 0 HD3 LYS A 81 -4.171 -21.100 -28.555 1.00 11.34 H new ATOM 0 HE2 LYS A 81 -5.314 -22.241 -26.892 1.00 41.13 H new ATOM 0 HE3 LYS A 81 -6.659 -21.520 -27.754 1.00 41.13 H new ATOM 0 HZ1 LYS A 81 -7.049 -23.857 -27.318 1.00 4.13 H new ATOM 0 HZ2 LYS A 81 -6.939 -23.590 -28.991 1.00 4.13 H new ATOM 0 HZ3 LYS A 81 -5.636 -24.288 -28.156 1.00 4.13 H new ATOM 1264 N LEU A 82 -4.123 -17.010 -31.673 1.00 33.43 N ATOM 1265 CA LEU A 82 -4.128 -16.303 -32.949 1.00 22.24 C ATOM 1266 C LEU A 82 -2.759 -15.697 -33.240 1.00 64.43 C ATOM 1267 O LEU A 82 -2.138 -16.002 -34.259 1.00 72.20 O ATOM 1268 CB LEU A 82 -5.193 -15.205 -32.942 1.00 21.31 C ATOM 1269 CG LEU A 82 -5.592 -14.649 -34.309 1.00 74.32 C ATOM 1270 CD1 LEU A 82 -6.284 -15.719 -35.139 1.00 75.41 C ATOM 1271 CD2 LEU A 82 -6.492 -13.432 -34.148 1.00 65.20 C ATOM 0 H LEU A 82 -3.699 -16.490 -30.905 1.00 33.43 H new ATOM 0 HA LEU A 82 -4.362 -17.022 -33.734 1.00 22.24 H new ATOM 0 HB2 LEU A 82 -6.087 -15.597 -32.456 1.00 21.31 H new ATOM 0 HB3 LEU A 82 -4.832 -14.380 -32.328 1.00 21.31 H new ATOM 0 HG LEU A 82 -4.687 -14.340 -34.832 1.00 74.32 H new ATOM 0 HD11 LEU A 82 -6.561 -15.305 -36.109 1.00 75.41 H new ATOM 0 HD12 LEU A 82 -5.607 -16.561 -35.284 1.00 75.41 H new ATOM 0 HD13 LEU A 82 -7.180 -16.059 -34.620 1.00 75.41 H new ATOM 0 HD21 LEU A 82 -6.766 -13.050 -35.131 1.00 65.20 H new ATOM 0 HD22 LEU A 82 -7.393 -13.715 -33.605 1.00 65.20 H new ATOM 0 HD23 LEU A 82 -5.962 -12.658 -33.593 1.00 65.20 H new ATOM 1283 N ASP A 83 -2.293 -14.840 -32.339 1.00 23.22 N ATOM 1284 CA ASP A 83 -0.995 -14.194 -32.497 1.00 51.14 C ATOM 1285 C ASP A 83 -0.039 -14.613 -31.385 1.00 34.42 C ATOM 1286 O ASP A 83 -0.354 -14.485 -30.202 1.00 61.20 O ATOM 1287 CB ASP A 83 -1.156 -12.673 -32.502 1.00 11.12 C ATOM 1288 CG ASP A 83 -2.439 -12.229 -33.176 1.00 14.54 C ATOM 1289 OD1 ASP A 83 -2.439 -12.082 -34.416 1.00 61.41 O ATOM 1290 OD2 ASP A 83 -3.445 -12.028 -32.463 1.00 4.33 O ATOM 0 H ASP A 83 -2.795 -14.576 -31.491 1.00 23.22 H new ATOM 0 HA ASP A 83 -0.574 -14.511 -33.451 1.00 51.14 H new ATOM 0 HB2 ASP A 83 -1.142 -12.306 -31.476 1.00 11.12 H new ATOM 0 HB3 ASP A 83 -0.306 -12.222 -33.013 1.00 11.12 H new ATOM 1295 N ALA A 84 1.128 -15.116 -31.773 1.00 1.02 N ATOM 1296 CA ALA A 84 2.130 -15.554 -30.809 1.00 13.55 C ATOM 1297 C ALA A 84 2.536 -14.412 -29.882 1.00 75.13 C ATOM 1298 O ALA A 84 2.894 -14.636 -28.726 1.00 41.22 O ATOM 1299 CB ALA A 84 3.349 -16.110 -31.529 1.00 52.34 C ATOM 0 H ALA A 84 1.403 -15.230 -32.749 1.00 1.02 H new ATOM 0 HA ALA A 84 1.691 -16.344 -30.200 1.00 13.55 H new ATOM 0 HB1 ALA A 84 4.088 -16.433 -30.796 1.00 52.34 H new ATOM 0 HB2 ALA A 84 3.052 -16.960 -32.144 1.00 52.34 H new ATOM 0 HB3 ALA A 84 3.781 -15.336 -32.164 1.00 52.34 H new ATOM 1305 N SER A 85 2.477 -13.188 -30.398 1.00 63.50 N ATOM 1306 CA SER A 85 2.843 -12.012 -29.618 1.00 43.01 C ATOM 1307 C SER A 85 1.909 -11.839 -28.425 1.00 14.12 C ATOM 1308 O SER A 85 2.347 -11.509 -27.322 1.00 15.00 O ATOM 1309 CB SER A 85 2.805 -10.760 -30.496 1.00 41.31 C ATOM 1310 OG SER A 85 3.991 -10.638 -31.263 1.00 33.12 O ATOM 0 H SER A 85 2.179 -12.985 -31.352 1.00 63.50 H new ATOM 0 HA SER A 85 3.857 -12.155 -29.245 1.00 43.01 H new ATOM 0 HB2 SER A 85 1.942 -10.804 -31.160 1.00 41.31 H new ATOM 0 HB3 SER A 85 2.681 -9.877 -29.870 1.00 41.31 H new ATOM 0 HG SER A 85 3.941 -9.831 -31.817 1.00 33.12 H new ATOM 1316 N CYS A 86 0.620 -12.064 -28.654 1.00 14.22 N ATOM 1317 CA CYS A 86 -0.379 -11.932 -27.599 1.00 22.34 C ATOM 1318 C CYS A 86 -0.183 -13.001 -26.529 1.00 30.44 C ATOM 1319 O CYS A 86 -0.211 -12.710 -25.333 1.00 43.24 O ATOM 1320 CB CYS A 86 -1.788 -12.033 -28.185 1.00 45.43 C ATOM 1321 SG CYS A 86 -2.176 -10.748 -29.397 1.00 63.01 S ATOM 0 H CYS A 86 0.242 -12.339 -29.561 1.00 14.22 H new ATOM 0 HA CYS A 86 -0.256 -10.953 -27.137 1.00 22.34 H new ATOM 0 HB2 CYS A 86 -1.905 -13.009 -28.656 1.00 45.43 H new ATOM 0 HB3 CYS A 86 -2.513 -11.982 -27.372 1.00 45.43 H new ATOM 0 HG CYS A 86 -3.248 -10.112 -29.027 1.00 63.01 H new ATOM 1327 N ALA A 87 0.013 -14.241 -26.967 1.00 1.33 N ATOM 1328 CA ALA A 87 0.214 -15.353 -26.047 1.00 34.42 C ATOM 1329 C ALA A 87 1.459 -15.142 -25.192 1.00 51.25 C ATOM 1330 O ALA A 87 1.471 -15.463 -24.004 1.00 53.20 O ATOM 1331 CB ALA A 87 0.315 -16.662 -26.816 1.00 31.32 C ATOM 0 H ALA A 87 0.037 -14.500 -27.953 1.00 1.33 H new ATOM 0 HA ALA A 87 -0.647 -15.401 -25.381 1.00 34.42 H new ATOM 0 HB1 ALA A 87 0.465 -17.484 -26.116 1.00 31.32 H new ATOM 0 HB2 ALA A 87 -0.605 -16.826 -27.377 1.00 31.32 H new ATOM 0 HB3 ALA A 87 1.157 -16.614 -27.506 1.00 31.32 H new ATOM 1337 N VAL A 88 2.507 -14.600 -25.806 1.00 33.23 N ATOM 1338 CA VAL A 88 3.757 -14.345 -25.101 1.00 24.50 C ATOM 1339 C VAL A 88 3.591 -13.233 -24.071 1.00 64.44 C ATOM 1340 O VAL A 88 4.042 -13.355 -22.933 1.00 20.42 O ATOM 1341 CB VAL A 88 4.884 -13.961 -26.078 1.00 61.33 C ATOM 1342 CG1 VAL A 88 6.132 -13.543 -25.317 1.00 4.25 C ATOM 1343 CG2 VAL A 88 5.187 -15.116 -27.022 1.00 1.44 C ATOM 0 H VAL A 88 2.514 -14.329 -26.789 1.00 33.23 H new ATOM 0 HA VAL A 88 4.027 -15.270 -24.592 1.00 24.50 H new ATOM 0 HB VAL A 88 4.550 -13.112 -26.674 1.00 61.33 H new ATOM 0 HG11 VAL A 88 6.917 -13.275 -26.024 1.00 4.25 H new ATOM 0 HG12 VAL A 88 5.903 -12.684 -24.687 1.00 4.25 H new ATOM 0 HG13 VAL A 88 6.472 -14.370 -24.693 1.00 4.25 H new ATOM 0 HG21 VAL A 88 5.986 -14.827 -27.705 1.00 1.44 H new ATOM 0 HG22 VAL A 88 5.500 -15.986 -26.444 1.00 1.44 H new ATOM 0 HG23 VAL A 88 4.292 -15.363 -27.593 1.00 1.44 H new ATOM 1353 N ALA A 89 2.941 -12.149 -24.480 1.00 10.22 N ATOM 1354 CA ALA A 89 2.713 -11.015 -23.592 1.00 71.32 C ATOM 1355 C ALA A 89 1.918 -11.434 -22.360 1.00 72.22 C ATOM 1356 O ALA A 89 2.254 -11.060 -21.236 1.00 52.54 O ATOM 1357 CB ALA A 89 1.991 -9.900 -24.335 1.00 22.44 C ATOM 0 H ALA A 89 2.563 -12.032 -25.420 1.00 10.22 H new ATOM 0 HA ALA A 89 3.683 -10.646 -23.258 1.00 71.32 H new ATOM 0 HB1 ALA A 89 1.827 -9.060 -23.660 1.00 22.44 H new ATOM 0 HB2 ALA A 89 2.597 -9.574 -25.180 1.00 22.44 H new ATOM 0 HB3 ALA A 89 1.031 -10.267 -24.698 1.00 22.44 H new ATOM 1363 N ILE A 90 0.863 -12.212 -22.579 1.00 12.31 N ATOM 1364 CA ILE A 90 0.021 -12.681 -21.486 1.00 33.13 C ATOM 1365 C ILE A 90 0.787 -13.629 -20.569 1.00 41.32 C ATOM 1366 O ILE A 90 0.757 -13.486 -19.347 1.00 55.45 O ATOM 1367 CB ILE A 90 -1.237 -13.399 -22.012 1.00 4.54 C ATOM 1368 CG1 ILE A 90 -2.078 -12.443 -22.860 1.00 33.11 C ATOM 1369 CG2 ILE A 90 -2.056 -13.949 -20.854 1.00 4.13 C ATOM 1370 CD1 ILE A 90 -3.159 -13.137 -23.659 1.00 63.14 C ATOM 0 H ILE A 90 0.571 -12.531 -23.503 1.00 12.31 H new ATOM 0 HA ILE A 90 -0.283 -11.799 -20.922 1.00 33.13 H new ATOM 0 HB ILE A 90 -0.926 -14.234 -22.640 1.00 4.54 H new ATOM 0 HG12 ILE A 90 -2.539 -11.701 -22.208 1.00 33.11 H new ATOM 0 HG13 ILE A 90 -1.422 -11.903 -23.543 1.00 33.11 H new ATOM 0 HG21 ILE A 90 -2.941 -14.453 -21.242 1.00 4.13 H new ATOM 0 HG22 ILE A 90 -1.453 -14.658 -20.287 1.00 4.13 H new ATOM 0 HG23 ILE A 90 -2.361 -13.130 -20.203 1.00 4.13 H new ATOM 0 HD11 ILE A 90 -3.716 -12.399 -24.236 1.00 63.14 H new ATOM 0 HD12 ILE A 90 -2.704 -13.859 -24.337 1.00 63.14 H new ATOM 0 HD13 ILE A 90 -3.838 -13.654 -22.981 1.00 63.14 H new ATOM 1382 N GLU A 91 1.475 -14.595 -21.169 1.00 22.55 N ATOM 1383 CA GLU A 91 2.251 -15.566 -20.405 1.00 71.13 C ATOM 1384 C GLU A 91 3.278 -14.866 -19.519 1.00 74.33 C ATOM 1385 O GLU A 91 3.541 -15.298 -18.398 1.00 31.14 O ATOM 1386 CB GLU A 91 2.956 -16.543 -21.348 1.00 61.30 C ATOM 1387 CG GLU A 91 2.188 -17.835 -21.572 1.00 55.32 C ATOM 1388 CD GLU A 91 2.768 -19.001 -20.797 1.00 22.41 C ATOM 1389 OE1 GLU A 91 2.501 -19.096 -19.581 1.00 32.43 O ATOM 1390 OE2 GLU A 91 3.490 -19.819 -21.406 1.00 12.44 O ATOM 0 H GLU A 91 1.511 -14.726 -22.180 1.00 22.55 H new ATOM 0 HA GLU A 91 1.564 -16.121 -19.766 1.00 71.13 H new ATOM 0 HB2 GLU A 91 3.117 -16.055 -22.309 1.00 61.30 H new ATOM 0 HB3 GLU A 91 3.939 -16.781 -20.942 1.00 61.30 H new ATOM 0 HG2 GLU A 91 1.148 -17.690 -21.279 1.00 55.32 H new ATOM 0 HG3 GLU A 91 2.189 -18.074 -22.635 1.00 55.32 H new ATOM 1397 N GLU A 92 3.854 -13.784 -20.033 1.00 11.02 N ATOM 1398 CA GLU A 92 4.853 -13.025 -19.289 1.00 33.51 C ATOM 1399 C GLU A 92 4.207 -12.254 -18.141 1.00 73.53 C ATOM 1400 O GLU A 92 4.716 -12.247 -17.021 1.00 15.41 O ATOM 1401 CB GLU A 92 5.587 -12.057 -20.219 1.00 31.22 C ATOM 1402 CG GLU A 92 6.995 -11.720 -19.758 1.00 32.13 C ATOM 1403 CD GLU A 92 7.919 -11.376 -20.909 1.00 42.24 C ATOM 1404 OE1 GLU A 92 9.134 -11.218 -20.667 1.00 42.52 O ATOM 1405 OE2 GLU A 92 7.428 -11.264 -22.052 1.00 62.20 O ATOM 0 H GLU A 92 3.647 -13.413 -20.960 1.00 11.02 H new ATOM 0 HA GLU A 92 5.571 -13.731 -18.871 1.00 33.51 H new ATOM 0 HB2 GLU A 92 5.635 -12.492 -21.217 1.00 31.22 H new ATOM 0 HB3 GLU A 92 5.010 -11.136 -20.300 1.00 31.22 H new ATOM 0 HG2 GLU A 92 6.955 -10.879 -19.065 1.00 32.13 H new ATOM 0 HG3 GLU A 92 7.406 -12.567 -19.208 1.00 32.13 H new ATOM 1412 N ALA A 93 3.083 -11.607 -18.430 1.00 53.22 N ATOM 1413 CA ALA A 93 2.366 -10.834 -17.423 1.00 60.03 C ATOM 1414 C ALA A 93 1.991 -11.704 -16.228 1.00 5.51 C ATOM 1415 O ALA A 93 2.139 -11.290 -15.077 1.00 54.24 O ATOM 1416 CB ALA A 93 1.122 -10.203 -18.030 1.00 14.43 C ATOM 0 H ALA A 93 2.649 -11.603 -19.353 1.00 53.22 H new ATOM 0 HA ALA A 93 3.026 -10.042 -17.070 1.00 60.03 H new ATOM 0 HB1 ALA A 93 0.596 -9.629 -17.267 1.00 14.43 H new ATOM 0 HB2 ALA A 93 1.411 -9.542 -18.847 1.00 14.43 H new ATOM 0 HB3 ALA A 93 0.466 -10.986 -18.411 1.00 14.43 H new ATOM 1422 N ILE A 94 1.507 -12.909 -16.508 1.00 15.55 N ATOM 1423 CA ILE A 94 1.111 -13.836 -15.454 1.00 45.35 C ATOM 1424 C ILE A 94 2.332 -14.450 -14.777 1.00 35.13 C ATOM 1425 O ILE A 94 2.319 -14.713 -13.575 1.00 13.55 O ATOM 1426 CB ILE A 94 0.220 -14.965 -16.004 1.00 63.20 C ATOM 1427 CG1 ILE A 94 0.981 -15.780 -17.053 1.00 15.33 C ATOM 1428 CG2 ILE A 94 -1.058 -14.391 -16.596 1.00 40.21 C ATOM 1429 CD1 ILE A 94 0.150 -16.873 -17.688 1.00 15.51 C ATOM 0 H ILE A 94 1.379 -13.267 -17.455 1.00 15.55 H new ATOM 0 HA ILE A 94 0.543 -13.261 -14.723 1.00 45.35 H new ATOM 0 HB ILE A 94 -0.050 -15.628 -15.182 1.00 63.20 H new ATOM 0 HG12 ILE A 94 1.340 -15.108 -17.833 1.00 15.33 H new ATOM 0 HG13 ILE A 94 1.859 -16.227 -16.587 1.00 15.33 H new ATOM 0 HG21 ILE A 94 -1.677 -15.202 -16.980 1.00 40.21 H new ATOM 0 HG22 ILE A 94 -1.606 -13.851 -15.824 1.00 40.21 H new ATOM 0 HG23 ILE A 94 -0.808 -13.709 -17.408 1.00 40.21 H new ATOM 0 HD11 ILE A 94 0.753 -17.409 -18.421 1.00 15.51 H new ATOM 0 HD12 ILE A 94 -0.188 -17.567 -16.918 1.00 15.51 H new ATOM 0 HD13 ILE A 94 -0.715 -16.431 -18.183 1.00 15.51 H new ATOM 1441 N GLN A 95 3.384 -14.675 -15.556 1.00 42.24 N ATOM 1442 CA GLN A 95 4.613 -15.257 -15.031 1.00 21.34 C ATOM 1443 C GLN A 95 5.276 -14.318 -14.028 1.00 55.34 C ATOM 1444 O GLN A 95 5.937 -14.761 -13.089 1.00 23.41 O ATOM 1445 CB GLN A 95 5.583 -15.571 -16.171 1.00 53.14 C ATOM 1446 CG GLN A 95 5.457 -16.989 -16.704 1.00 24.44 C ATOM 1447 CD GLN A 95 6.292 -17.983 -15.920 1.00 1.35 C ATOM 1448 OE1 GLN A 95 5.960 -18.332 -14.786 1.00 61.24 O ATOM 1449 NE2 GLN A 95 7.383 -18.444 -16.520 1.00 10.10 N ATOM 0 H GLN A 95 3.410 -14.463 -16.553 1.00 42.24 H new ATOM 0 HA GLN A 95 4.355 -16.183 -14.518 1.00 21.34 H new ATOM 0 HB2 GLN A 95 5.411 -14.869 -16.987 1.00 53.14 H new ATOM 0 HB3 GLN A 95 6.604 -15.412 -15.823 1.00 53.14 H new ATOM 0 HG2 GLN A 95 4.411 -17.294 -16.672 1.00 24.44 H new ATOM 0 HG3 GLN A 95 5.763 -17.009 -17.750 1.00 24.44 H new ATOM 0 HE21 GLN A 95 7.620 -18.128 -17.460 1.00 10.10 H new ATOM 0 HE22 GLN A 95 7.984 -19.114 -16.041 1.00 10.10 H new ATOM 1458 N LEU A 96 5.094 -13.018 -14.234 1.00 71.03 N ATOM 1459 CA LEU A 96 5.674 -12.015 -13.349 1.00 4.44 C ATOM 1460 C LEU A 96 4.755 -11.737 -12.164 1.00 12.32 C ATOM 1461 O LEU A 96 5.208 -11.634 -11.024 1.00 2.22 O ATOM 1462 CB LEU A 96 5.940 -10.719 -14.118 1.00 33.23 C ATOM 1463 CG LEU A 96 7.024 -10.788 -15.194 1.00 0.43 C ATOM 1464 CD1 LEU A 96 6.720 -9.813 -16.321 1.00 12.12 C ATOM 1465 CD2 LEU A 96 8.392 -10.500 -14.592 1.00 13.32 C ATOM 0 H LEU A 96 4.549 -12.634 -15.006 1.00 71.03 H new ATOM 0 HA LEU A 96 6.618 -12.405 -12.969 1.00 4.44 H new ATOM 0 HB2 LEU A 96 5.009 -10.401 -14.588 1.00 33.23 H new ATOM 0 HB3 LEU A 96 6.216 -9.945 -13.402 1.00 33.23 H new ATOM 0 HG LEU A 96 7.036 -11.797 -15.607 1.00 0.43 H new ATOM 0 HD11 LEU A 96 7.502 -9.876 -17.078 1.00 12.12 H new ATOM 0 HD12 LEU A 96 5.759 -10.064 -16.770 1.00 12.12 H new ATOM 0 HD13 LEU A 96 6.680 -8.799 -15.924 1.00 12.12 H new ATOM 0 HD21 LEU A 96 9.151 -10.553 -15.372 1.00 13.32 H new ATOM 0 HD22 LEU A 96 8.393 -9.503 -14.152 1.00 13.32 H new ATOM 0 HD23 LEU A 96 8.612 -11.237 -13.820 1.00 13.32 H new ATOM 1477 N TYR A 97 3.461 -11.618 -12.441 1.00 21.40 N ATOM 1478 CA TYR A 97 2.477 -11.352 -11.398 1.00 63.42 C ATOM 1479 C TYR A 97 2.489 -12.455 -10.344 1.00 73.53 C ATOM 1480 O TYR A 97 2.396 -12.186 -9.147 1.00 41.54 O ATOM 1481 CB TYR A 97 1.079 -11.227 -12.007 1.00 25.34 C ATOM 1482 CG TYR A 97 0.004 -10.907 -10.993 1.00 4.21 C ATOM 1483 CD1 TYR A 97 0.035 -9.720 -10.270 1.00 61.24 C ATOM 1484 CD2 TYR A 97 -1.041 -11.791 -10.757 1.00 13.53 C ATOM 1485 CE1 TYR A 97 -0.945 -9.423 -9.343 1.00 24.33 C ATOM 1486 CE2 TYR A 97 -2.026 -11.501 -9.832 1.00 60.20 C ATOM 1487 CZ TYR A 97 -1.973 -10.317 -9.127 1.00 52.45 C ATOM 1488 OH TYR A 97 -2.951 -10.025 -8.204 1.00 74.45 O ATOM 0 H TYR A 97 3.069 -11.702 -13.379 1.00 21.40 H new ATOM 0 HA TYR A 97 2.741 -10.411 -10.915 1.00 63.42 H new ATOM 0 HB2 TYR A 97 1.092 -10.448 -12.769 1.00 25.34 H new ATOM 0 HB3 TYR A 97 0.826 -12.160 -12.510 1.00 25.34 H new ATOM 0 HD1 TYR A 97 0.839 -9.018 -10.436 1.00 61.24 H new ATOM 0 HD2 TYR A 97 -1.085 -12.720 -11.305 1.00 13.53 H new ATOM 0 HE1 TYR A 97 -0.907 -8.496 -8.790 1.00 24.33 H new ATOM 0 HE2 TYR A 97 -2.833 -12.198 -9.662 1.00 60.20 H new ATOM 0 HH TYR A 97 -3.601 -10.757 -8.174 1.00 74.45 H new ATOM 1498 N GLU A 98 2.604 -13.699 -10.800 1.00 33.11 N ATOM 1499 CA GLU A 98 2.627 -14.844 -9.897 1.00 1.43 C ATOM 1500 C GLU A 98 4.043 -15.112 -9.395 1.00 1.32 C ATOM 1501 O GLU A 98 4.288 -16.093 -8.695 1.00 24.51 O ATOM 1502 CB GLU A 98 2.079 -16.087 -10.600 1.00 24.54 C ATOM 1503 CG GLU A 98 1.162 -16.926 -9.726 1.00 21.13 C ATOM 1504 CD GLU A 98 -0.277 -16.449 -9.763 1.00 44.43 C ATOM 1505 OE1 GLU A 98 -0.901 -16.534 -10.841 1.00 53.34 O ATOM 1506 OE2 GLU A 98 -0.778 -15.990 -8.716 1.00 3.24 O ATOM 0 H GLU A 98 2.683 -13.939 -11.788 1.00 33.11 H new ATOM 0 HA GLU A 98 1.994 -14.612 -9.040 1.00 1.43 H new ATOM 0 HB2 GLU A 98 1.534 -15.779 -11.493 1.00 24.54 H new ATOM 0 HB3 GLU A 98 2.914 -16.704 -10.933 1.00 24.54 H new ATOM 0 HG2 GLU A 98 1.205 -17.965 -10.053 1.00 21.13 H new ATOM 0 HG3 GLU A 98 1.523 -16.900 -8.698 1.00 21.13 H new ATOM 1513 N GLU A 99 4.970 -14.231 -9.759 1.00 23.32 N ATOM 1514 CA GLU A 99 6.362 -14.374 -9.347 1.00 13.13 C ATOM 1515 C GLU A 99 6.745 -13.291 -8.342 1.00 22.42 C ATOM 1516 O GLU A 99 7.668 -13.468 -7.547 1.00 12.13 O ATOM 1517 CB GLU A 99 7.287 -14.306 -10.564 1.00 32.24 C ATOM 1518 CG GLU A 99 8.761 -14.230 -10.204 1.00 1.10 C ATOM 1519 CD GLU A 99 9.258 -12.803 -10.079 1.00 41.22 C ATOM 1520 OE1 GLU A 99 8.986 -11.998 -10.995 1.00 61.31 O ATOM 1521 OE2 GLU A 99 9.919 -12.490 -9.067 1.00 33.32 O ATOM 0 H GLU A 99 4.783 -13.412 -10.337 1.00 23.32 H new ATOM 0 HA GLU A 99 6.475 -15.347 -8.868 1.00 13.13 H new ATOM 0 HB2 GLU A 99 7.119 -15.184 -11.187 1.00 32.24 H new ATOM 0 HB3 GLU A 99 7.022 -13.435 -11.163 1.00 32.24 H new ATOM 0 HG2 GLU A 99 8.929 -14.753 -9.262 1.00 1.10 H new ATOM 0 HG3 GLU A 99 9.344 -14.749 -10.965 1.00 1.10 H new ATOM 1528 N GLN A 100 6.030 -12.172 -8.385 1.00 42.13 N ATOM 1529 CA GLN A 100 6.296 -11.060 -7.480 1.00 24.42 C ATOM 1530 C GLN A 100 5.241 -10.989 -6.381 1.00 41.30 C ATOM 1531 O GLN A 100 5.521 -10.552 -5.264 1.00 43.51 O ATOM 1532 CB GLN A 100 6.334 -9.742 -8.254 1.00 52.22 C ATOM 1533 CG GLN A 100 7.646 -9.501 -8.983 1.00 30.31 C ATOM 1534 CD GLN A 100 7.698 -8.145 -9.659 1.00 22.32 C ATOM 1535 OE1 GLN A 100 7.404 -8.020 -10.848 1.00 11.32 O ATOM 1536 NE2 GLN A 100 8.074 -7.121 -8.902 1.00 51.43 N ATOM 0 H GLN A 100 5.262 -12.011 -9.037 1.00 42.13 H new ATOM 0 HA GLN A 100 7.268 -11.227 -7.015 1.00 24.42 H new ATOM 0 HB2 GLN A 100 5.519 -9.732 -8.978 1.00 52.22 H new ATOM 0 HB3 GLN A 100 6.156 -8.919 -7.562 1.00 52.22 H new ATOM 0 HG2 GLN A 100 8.471 -9.581 -8.275 1.00 30.31 H new ATOM 0 HG3 GLN A 100 7.790 -10.281 -9.730 1.00 30.31 H new ATOM 0 HE21 GLN A 100 8.309 -7.271 -7.921 1.00 51.43 H new ATOM 0 HE22 GLN A 100 8.128 -6.184 -9.302 1.00 51.43 H new ATOM 1545 N LEU A 101 4.027 -11.420 -6.705 1.00 21.13 N ATOM 1546 CA LEU A 101 2.929 -11.405 -5.745 1.00 15.30 C ATOM 1547 C LEU A 101 3.006 -12.607 -4.809 1.00 42.31 C ATOM 1548 O LEU A 101 2.500 -12.568 -3.687 1.00 42.23 O ATOM 1549 CB LEU A 101 1.586 -11.400 -6.477 1.00 75.03 C ATOM 1550 CG LEU A 101 0.341 -11.275 -5.597 1.00 65.10 C ATOM 1551 CD1 LEU A 101 -0.305 -9.911 -5.778 1.00 14.43 C ATOM 1552 CD2 LEU A 101 -0.651 -12.384 -5.915 1.00 63.14 C ATOM 0 H LEU A 101 3.778 -11.784 -7.625 1.00 21.13 H new ATOM 0 HA LEU A 101 3.014 -10.497 -5.148 1.00 15.30 H new ATOM 0 HB2 LEU A 101 1.587 -10.575 -7.190 1.00 75.03 H new ATOM 0 HB3 LEU A 101 1.507 -12.321 -7.055 1.00 75.03 H new ATOM 0 HG LEU A 101 0.644 -11.375 -4.555 1.00 65.10 H new ATOM 0 HD11 LEU A 101 -1.189 -9.840 -5.144 1.00 14.43 H new ATOM 0 HD12 LEU A 101 0.405 -9.132 -5.499 1.00 14.43 H new ATOM 0 HD13 LEU A 101 -0.595 -9.781 -6.821 1.00 14.43 H new ATOM 0 HD21 LEU A 101 -1.530 -12.279 -5.279 1.00 63.14 H new ATOM 0 HD22 LEU A 101 -0.949 -12.316 -6.961 1.00 63.14 H new ATOM 0 HD23 LEU A 101 -0.185 -13.352 -5.733 1.00 63.14 H new ATOM 1564 N LYS A 102 3.645 -13.674 -5.277 1.00 1.32 N ATOM 1565 CA LYS A 102 3.793 -14.887 -4.482 1.00 2.24 C ATOM 1566 C LYS A 102 5.100 -14.866 -3.695 1.00 50.31 C ATOM 1567 O LYS A 102 5.218 -15.507 -2.652 1.00 33.43 O ATOM 1568 CB LYS A 102 3.749 -16.122 -5.384 1.00 50.35 C ATOM 1569 CG LYS A 102 4.162 -17.404 -4.682 1.00 41.44 C ATOM 1570 CD LYS A 102 5.645 -17.685 -4.861 1.00 54.43 C ATOM 1571 CE LYS A 102 5.885 -18.761 -5.909 1.00 4.03 C ATOM 1572 NZ LYS A 102 7.146 -19.511 -5.653 1.00 61.42 N ATOM 0 H LYS A 102 4.069 -13.723 -6.203 1.00 1.32 H new ATOM 0 HA LYS A 102 2.964 -14.931 -3.776 1.00 2.24 H new ATOM 0 HB2 LYS A 102 2.738 -16.241 -5.774 1.00 50.35 H new ATOM 0 HB3 LYS A 102 4.404 -15.960 -6.240 1.00 50.35 H new ATOM 0 HG2 LYS A 102 3.931 -17.329 -3.619 1.00 41.44 H new ATOM 0 HG3 LYS A 102 3.582 -18.239 -5.076 1.00 41.44 H new ATOM 0 HD2 LYS A 102 6.157 -16.769 -5.155 1.00 54.43 H new ATOM 0 HD3 LYS A 102 6.074 -18.000 -3.910 1.00 54.43 H new ATOM 0 HE2 LYS A 102 5.044 -19.455 -5.916 1.00 4.03 H new ATOM 0 HE3 LYS A 102 5.929 -18.303 -6.897 1.00 4.03 H new ATOM 0 HZ1 LYS A 102 7.275 -20.235 -6.388 1.00 61.42 H new ATOM 0 HZ2 LYS A 102 7.951 -18.853 -5.671 1.00 61.42 H new ATOM 0 HZ3 LYS A 102 7.094 -19.969 -4.721 1.00 61.42 H new ATOM 1586 N ALA A 103 6.078 -14.123 -4.202 1.00 45.20 N ATOM 1587 CA ALA A 103 7.375 -14.016 -3.545 1.00 1.52 C ATOM 1588 C ALA A 103 7.289 -13.138 -2.301 1.00 0.31 C ATOM 1589 O ALA A 103 8.048 -13.319 -1.349 1.00 70.12 O ATOM 1590 CB ALA A 103 8.413 -13.464 -4.511 1.00 73.24 C ATOM 0 H ALA A 103 5.997 -13.586 -5.066 1.00 45.20 H new ATOM 0 HA ALA A 103 7.680 -15.015 -3.233 1.00 1.52 H new ATOM 0 HB1 ALA A 103 9.376 -13.390 -4.006 1.00 73.24 H new ATOM 0 HB2 ALA A 103 8.503 -14.131 -5.369 1.00 73.24 H new ATOM 0 HB3 ALA A 103 8.104 -12.475 -4.851 1.00 73.24 H new ATOM 1596 N GLN A 104 6.361 -12.187 -2.316 1.00 52.55 N ATOM 1597 CA GLN A 104 6.178 -11.280 -1.189 1.00 52.13 C ATOM 1598 C GLN A 104 4.926 -11.643 -0.397 1.00 3.43 C ATOM 1599 O GLN A 104 4.386 -10.818 0.340 1.00 73.21 O ATOM 1600 CB GLN A 104 6.084 -9.834 -1.680 1.00 73.34 C ATOM 1601 CG GLN A 104 7.133 -9.476 -2.720 1.00 51.53 C ATOM 1602 CD GLN A 104 7.896 -8.214 -2.368 1.00 50.23 C ATOM 1603 OE1 GLN A 104 8.198 -7.963 -1.201 1.00 45.44 O ATOM 1604 NE2 GLN A 104 8.212 -7.412 -3.378 1.00 40.41 N ATOM 0 H GLN A 104 5.724 -12.024 -3.096 1.00 52.55 H new ATOM 0 HA GLN A 104 7.043 -11.377 -0.533 1.00 52.13 H new ATOM 0 HB2 GLN A 104 5.093 -9.666 -2.102 1.00 73.34 H new ATOM 0 HB3 GLN A 104 6.185 -9.162 -0.828 1.00 73.34 H new ATOM 0 HG2 GLN A 104 7.835 -10.304 -2.823 1.00 51.53 H new ATOM 0 HG3 GLN A 104 6.650 -9.346 -3.688 1.00 51.53 H new ATOM 0 HE21 GLN A 104 7.941 -7.660 -4.330 1.00 40.41 H new ATOM 0 HE22 GLN A 104 8.725 -6.548 -3.202 1.00 40.41 H new ATOM 1613 N ALA A 105 4.471 -12.881 -0.553 1.00 72.24 N ATOM 1614 CA ALA A 105 3.284 -13.353 0.149 1.00 60.32 C ATOM 1615 C ALA A 105 3.599 -14.584 0.993 1.00 13.40 C ATOM 1616 O ALA A 105 2.715 -15.385 1.294 1.00 12.41 O ATOM 1617 CB ALA A 105 2.172 -13.662 -0.843 1.00 12.44 C ATOM 0 H ALA A 105 4.906 -13.576 -1.160 1.00 72.24 H new ATOM 0 HA ALA A 105 2.949 -12.561 0.819 1.00 60.32 H new ATOM 0 HB1 ALA A 105 1.292 -14.013 -0.305 1.00 12.44 H new ATOM 0 HB2 ALA A 105 1.920 -12.760 -1.400 1.00 12.44 H new ATOM 0 HB3 ALA A 105 2.506 -14.435 -1.535 1.00 12.44 H new ATOM 1623 N GLY A 106 4.865 -14.728 1.372 1.00 42.12 N ATOM 1624 CA GLY A 106 5.274 -15.864 2.177 1.00 12.11 C ATOM 1625 C GLY A 106 6.781 -16.012 2.248 1.00 73.21 C ATOM 1626 O GLY A 106 7.369 -15.939 3.326 1.00 53.30 O ATOM 0 H GLY A 106 5.615 -14.078 1.136 1.00 42.12 H new ATOM 0 HA2 GLY A 106 4.875 -15.753 3.185 1.00 12.11 H new ATOM 0 HA3 GLY A 106 4.842 -16.774 1.761 1.00 12.11 H new ATOM 1630 N GLY A 107 7.408 -16.224 1.095 1.00 41.33 N ATOM 1631 CA GLY A 107 8.850 -16.382 1.053 1.00 41.52 C ATOM 1632 C GLY A 107 9.269 -17.816 0.798 1.00 2.14 C ATOM 1633 O GLY A 107 10.023 -18.399 1.579 1.00 41.35 O ATOM 0 H GLY A 107 6.943 -16.289 0.189 1.00 41.33 H new ATOM 0 HA2 GLY A 107 9.260 -15.743 0.271 1.00 41.52 H new ATOM 0 HA3 GLY A 107 9.277 -16.044 1.997 1.00 41.52 H new ATOM 1637 N THR A 108 8.779 -18.389 -0.296 1.00 54.03 N ATOM 1638 CA THR A 108 9.104 -19.765 -0.650 1.00 41.21 C ATOM 1639 C THR A 108 8.522 -20.745 0.362 1.00 61.22 C ATOM 1640 O THR A 108 9.258 -21.460 1.041 1.00 14.23 O ATOM 1641 CB THR A 108 10.627 -19.977 -0.736 1.00 63.33 C ATOM 1642 OG1 THR A 108 11.261 -18.789 -1.222 1.00 1.42 O ATOM 1643 CG2 THR A 108 10.960 -21.146 -1.652 1.00 54.53 C ATOM 0 H THR A 108 8.155 -17.921 -0.953 1.00 54.03 H new ATOM 0 HA THR A 108 8.662 -19.953 -1.629 1.00 41.21 H new ATOM 0 HB THR A 108 10.997 -20.202 0.264 1.00 63.33 H new ATOM 0 HG1 THR A 108 12.229 -18.932 -1.272 1.00 1.42 H new ATOM 0 HG21 THR A 108 12.041 -21.276 -1.697 1.00 54.53 H new ATOM 0 HG22 THR A 108 10.501 -22.055 -1.263 1.00 54.53 H new ATOM 0 HG23 THR A 108 10.577 -20.945 -2.652 1.00 54.53 H new ATOM 1651 N ASN A 109 7.197 -20.774 0.456 1.00 13.01 N ATOM 1652 CA ASN A 109 6.516 -21.668 1.386 1.00 51.21 C ATOM 1653 C ASN A 109 7.009 -21.447 2.813 1.00 61.04 C ATOM 1654 O ASN A 109 7.057 -22.380 3.614 1.00 45.42 O ATOM 1655 CB ASN A 109 6.736 -23.126 0.978 1.00 3.10 C ATOM 1656 CG ASN A 109 6.440 -23.367 -0.490 1.00 15.05 C ATOM 1657 OD1 ASN A 109 5.686 -22.619 -1.113 1.00 20.21 O ATOM 1658 ND2 ASN A 109 7.032 -24.416 -1.048 1.00 43.33 N ATOM 0 H ASN A 109 6.573 -20.189 -0.100 1.00 13.01 H new ATOM 0 HA ASN A 109 5.450 -21.445 1.351 1.00 51.21 H new ATOM 0 HB2 ASN A 109 7.768 -23.408 1.189 1.00 3.10 H new ATOM 0 HB3 ASN A 109 6.099 -23.770 1.585 1.00 3.10 H new ATOM 0 HD21 ASN A 109 6.870 -24.630 -2.032 1.00 43.33 H new ATOM 0 HD22 ASN A 109 7.649 -25.008 -0.493 1.00 43.33 H new ATOM 1665 N GLU A 110 7.373 -20.206 3.122 1.00 65.53 N ATOM 1666 CA GLU A 110 7.863 -19.864 4.452 1.00 41.22 C ATOM 1667 C GLU A 110 9.055 -20.737 4.834 1.00 10.44 C ATOM 1668 O GLU A 110 9.922 -20.318 5.601 1.00 61.43 O ATOM 1669 CB GLU A 110 6.747 -20.023 5.487 1.00 44.12 C ATOM 1670 CG GLU A 110 6.139 -18.704 5.934 1.00 63.21 C ATOM 1671 CD GLU A 110 4.625 -18.706 5.860 1.00 13.53 C ATOM 1672 OE1 GLU A 110 4.051 -17.681 5.434 1.00 22.04 O ATOM 1673 OE2 GLU A 110 4.013 -19.730 6.229 1.00 41.05 O ATOM 0 H GLU A 110 7.338 -19.422 2.470 1.00 65.53 H new ATOM 0 HA GLU A 110 8.188 -18.824 4.435 1.00 41.22 H new ATOM 0 HB2 GLU A 110 5.962 -20.652 5.068 1.00 44.12 H new ATOM 0 HB3 GLU A 110 7.143 -20.545 6.358 1.00 44.12 H new ATOM 0 HG2 GLU A 110 6.449 -18.494 6.958 1.00 63.21 H new ATOM 0 HG3 GLU A 110 6.529 -17.899 5.311 1.00 63.21 H new TER 1680 GLU A 110