USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 613 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 83 GLN : amide:sc= -0.0638 K(o=-0.034,f=-0.87) USER MOD Set 1.2: A 86 THR OG1 : rot -149:sc= 0.0301 USER MOD Single : A 20 HIS : no HD1:sc=-0.000949 X(o=-0.00095,f=-0.0076) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.4) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.068) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 2:sc= -0.578 USER MOD Single : A 44 THR OG1 : rot -166:sc= 0.568 USER MOD Single : A 48 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-3.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.77 K(o=-3.8,f=-5.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0365 USER MOD Single : A 74 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -48:sc= 0.95 USER MOD Single : A 90 SER OG : rot -64:sc= 0.0827 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 20 1.669 1.072 -3.516 1.00 4.11 N ATOM 2 CA HIS A 20 1.488 -0.360 -3.724 1.00 24.24 C ATOM 3 C HIS A 20 2.490 -0.892 -4.745 1.00 14.13 C ATOM 4 O HIS A 20 2.441 -0.532 -5.921 1.00 23.43 O ATOM 5 CB HIS A 20 0.062 -0.653 -4.190 1.00 61.12 C ATOM 6 CG HIS A 20 -0.726 -1.483 -3.224 1.00 1.43 C ATOM 7 ND1 HIS A 20 -1.307 -2.686 -3.564 1.00 50.11 N ATOM 8 CD2 HIS A 20 -1.026 -1.277 -1.920 1.00 10.10 C ATOM 9 CE1 HIS A 20 -1.932 -3.184 -2.512 1.00 10.40 C ATOM 10 NE2 HIS A 20 -1.776 -2.348 -1.501 1.00 54.00 N ATOM 0 HA HIS A 20 1.662 -0.865 -2.774 1.00 24.24 H new ATOM 0 HB2 HIS A 20 -0.459 0.290 -4.354 1.00 61.12 H new ATOM 0 HB3 HIS A 20 0.101 -1.167 -5.150 1.00 61.12 H new ATOM 0 HD2 HIS A 20 -0.730 -0.428 -1.321 1.00 10.10 H new ATOM 0 HE1 HIS A 20 -2.477 -4.116 -2.483 1.00 10.40 H new ATOM 0 HE2 HIS A 20 -2.152 -2.477 -0.562 1.00 54.00 H new ATOM 18 N MET A 21 3.396 -1.749 -4.287 1.00 1.14 N ATOM 19 CA MET A 21 4.408 -2.330 -5.161 1.00 4.01 C ATOM 20 C MET A 21 5.258 -1.241 -5.808 1.00 2.24 C ATOM 21 O MET A 21 5.340 -1.150 -7.032 1.00 43.30 O ATOM 22 CB MET A 21 3.748 -3.187 -6.242 1.00 72.13 C ATOM 23 CG MET A 21 4.734 -4.024 -7.041 1.00 32.43 C ATOM 24 SD MET A 21 4.121 -5.686 -7.377 1.00 71.41 S ATOM 25 CE MET A 21 5.549 -6.671 -6.930 1.00 11.20 C ATOM 0 H MET A 21 3.450 -2.056 -3.316 1.00 1.14 H new ATOM 0 HA MET A 21 5.057 -2.961 -4.554 1.00 4.01 H new ATOM 0 HB2 MET A 21 3.018 -3.848 -5.775 1.00 72.13 H new ATOM 0 HB3 MET A 21 3.199 -2.538 -6.924 1.00 72.13 H new ATOM 0 HG2 MET A 21 4.949 -3.523 -7.985 1.00 32.43 H new ATOM 0 HG3 MET A 21 5.674 -4.091 -6.494 1.00 32.43 H new ATOM 0 HE1 MET A 21 5.325 -7.727 -7.084 1.00 11.20 H new ATOM 0 HE2 MET A 21 6.397 -6.385 -7.552 1.00 11.20 H new ATOM 0 HE3 MET A 21 5.795 -6.501 -5.882 1.00 11.20 H new ATOM 35 N ALA A 22 5.888 -0.417 -4.977 1.00 3.31 N ATOM 36 CA ALA A 22 6.733 0.665 -5.468 1.00 71.13 C ATOM 37 C ALA A 22 5.919 1.678 -6.265 1.00 53.43 C ATOM 38 O ALA A 22 4.762 1.431 -6.604 1.00 32.13 O ATOM 39 CB ALA A 22 7.863 0.106 -6.320 1.00 4.41 C ATOM 0 H ALA A 22 5.829 -0.478 -3.961 1.00 3.31 H new ATOM 0 HA ALA A 22 7.161 1.179 -4.607 1.00 71.13 H new ATOM 0 HB1 ALA A 22 8.486 0.924 -6.680 1.00 4.41 H new ATOM 0 HB2 ALA A 22 8.468 -0.574 -5.721 1.00 4.41 H new ATOM 0 HB3 ALA A 22 7.445 -0.433 -7.170 1.00 4.41 H new ATOM 45 N ALA A 23 6.531 2.821 -6.561 1.00 75.41 N ATOM 46 CA ALA A 23 5.862 3.871 -7.319 1.00 64.14 C ATOM 47 C ALA A 23 5.750 3.497 -8.794 1.00 1.15 C ATOM 48 O ALA A 23 6.487 2.652 -9.303 1.00 2.55 O ATOM 49 CB ALA A 23 6.605 5.189 -7.162 1.00 45.34 C ATOM 0 H ALA A 23 7.488 3.043 -6.287 1.00 75.41 H new ATOM 0 HA ALA A 23 4.853 3.985 -6.923 1.00 64.14 H new ATOM 0 HB1 ALA A 23 6.095 5.965 -7.733 1.00 45.34 H new ATOM 0 HB2 ALA A 23 6.629 5.470 -6.109 1.00 45.34 H new ATOM 0 HB3 ALA A 23 7.625 5.078 -7.531 1.00 45.34 H new ATOM 55 N PRO A 24 4.806 4.139 -9.497 1.00 73.13 N ATOM 56 CA PRO A 24 4.575 3.890 -10.923 1.00 73.33 C ATOM 57 C PRO A 24 5.714 4.407 -11.794 1.00 42.43 C ATOM 58 O PRO A 24 6.376 5.385 -11.448 1.00 43.32 O ATOM 59 CB PRO A 24 3.286 4.663 -11.214 1.00 72.51 C ATOM 60 CG PRO A 24 3.249 5.739 -10.185 1.00 33.45 C ATOM 61 CD PRO A 24 3.891 5.158 -8.955 1.00 61.22 C ATOM 0 HA PRO A 24 4.509 2.825 -11.145 1.00 73.33 H new ATOM 0 HB2 PRO A 24 3.293 5.079 -12.222 1.00 72.51 H new ATOM 0 HB3 PRO A 24 2.412 4.016 -11.142 1.00 72.51 H new ATOM 0 HG2 PRO A 24 3.788 6.623 -10.526 1.00 33.45 H new ATOM 0 HG3 PRO A 24 2.224 6.049 -9.981 1.00 33.45 H new ATOM 0 HD2 PRO A 24 4.427 5.917 -8.385 1.00 61.22 H new ATOM 0 HD3 PRO A 24 3.152 4.719 -8.285 1.00 61.22 H new ATOM 69 N GLN A 25 5.936 3.745 -12.925 1.00 44.31 N ATOM 70 CA GLN A 25 6.997 4.140 -13.845 1.00 33.30 C ATOM 71 C GLN A 25 6.701 5.501 -14.465 1.00 53.14 C ATOM 72 O GLN A 25 7.615 6.267 -14.771 1.00 12.13 O ATOM 73 CB GLN A 25 7.163 3.090 -14.945 1.00 61.01 C ATOM 74 CG GLN A 25 5.902 2.859 -15.761 1.00 75.31 C ATOM 75 CD GLN A 25 5.835 1.463 -16.350 1.00 41.42 C ATOM 76 OE1 GLN A 25 6.804 0.705 -16.291 1.00 53.42 O ATOM 77 NE2 GLN A 25 4.689 1.116 -16.923 1.00 15.30 N ATOM 0 H GLN A 25 5.396 2.934 -13.226 1.00 44.31 H new ATOM 0 HA GLN A 25 7.926 4.214 -13.279 1.00 33.30 H new ATOM 0 HB2 GLN A 25 7.966 3.400 -15.613 1.00 61.01 H new ATOM 0 HB3 GLN A 25 7.471 2.147 -14.492 1.00 61.01 H new ATOM 0 HG2 GLN A 25 5.029 3.025 -15.129 1.00 75.31 H new ATOM 0 HG3 GLN A 25 5.856 3.592 -16.567 1.00 75.31 H new ATOM 0 HE21 GLN A 25 3.912 1.776 -16.949 1.00 15.30 H new ATOM 0 HE22 GLN A 25 4.586 0.189 -17.337 1.00 15.30 H new ATOM 86 N ASP A 26 5.418 5.795 -14.649 1.00 44.54 N ATOM 87 CA ASP A 26 5.002 7.065 -15.233 1.00 55.20 C ATOM 88 C ASP A 26 4.853 8.136 -14.156 1.00 65.43 C ATOM 89 O ASP A 26 3.789 8.736 -14.005 1.00 35.35 O ATOM 90 CB ASP A 26 3.681 6.896 -15.986 1.00 61.31 C ATOM 91 CG ASP A 26 2.644 6.146 -15.174 1.00 34.20 C ATOM 92 OD1 ASP A 26 2.815 4.925 -14.975 1.00 41.13 O ATOM 93 OD2 ASP A 26 1.660 6.779 -14.738 1.00 15.53 O ATOM 0 H ASP A 26 4.649 5.172 -14.402 1.00 44.54 H new ATOM 0 HA ASP A 26 5.773 7.384 -15.934 1.00 55.20 H new ATOM 0 HB2 ASP A 26 3.289 7.878 -16.252 1.00 61.31 H new ATOM 0 HB3 ASP A 26 3.863 6.362 -16.919 1.00 61.31 H new ATOM 98 N LEU A 27 5.928 8.369 -13.410 1.00 55.54 N ATOM 99 CA LEU A 27 5.917 9.367 -12.346 1.00 45.21 C ATOM 100 C LEU A 27 6.920 10.481 -12.634 1.00 74.40 C ATOM 101 O LEU A 27 8.119 10.233 -12.757 1.00 63.00 O ATOM 102 CB LEU A 27 6.239 8.711 -11.002 1.00 53.31 C ATOM 103 CG LEU A 27 6.511 9.665 -9.838 1.00 32.40 C ATOM 104 CD1 LEU A 27 5.427 9.536 -8.779 1.00 3.44 C ATOM 105 CD2 LEU A 27 7.882 9.394 -9.236 1.00 61.04 C ATOM 0 H LEU A 27 6.817 7.881 -13.522 1.00 55.54 H new ATOM 0 HA LEU A 27 4.919 9.804 -12.301 1.00 45.21 H new ATOM 0 HB2 LEU A 27 5.406 8.063 -10.728 1.00 53.31 H new ATOM 0 HB3 LEU A 27 7.111 8.071 -11.133 1.00 53.31 H new ATOM 0 HG LEU A 27 6.499 10.686 -10.219 1.00 32.40 H new ATOM 0 HD11 LEU A 27 5.637 10.222 -7.958 1.00 3.44 H new ATOM 0 HD12 LEU A 27 4.459 9.780 -9.217 1.00 3.44 H new ATOM 0 HD13 LEU A 27 5.407 8.514 -8.401 1.00 3.44 H new ATOM 0 HD21 LEU A 27 8.059 10.082 -8.409 1.00 61.04 H new ATOM 0 HD22 LEU A 27 7.922 8.368 -8.870 1.00 61.04 H new ATOM 0 HD23 LEU A 27 8.649 9.537 -9.998 1.00 61.04 H new ATOM 117 N ASP A 28 6.420 11.707 -12.738 1.00 73.11 N ATOM 118 CA ASP A 28 7.271 12.859 -13.008 1.00 5.40 C ATOM 119 C ASP A 28 8.475 12.877 -12.071 1.00 11.24 C ATOM 120 O ASP A 28 8.342 12.640 -10.870 1.00 31.43 O ATOM 121 CB ASP A 28 6.474 14.156 -12.859 1.00 31.02 C ATOM 122 CG ASP A 28 6.907 15.219 -13.848 1.00 45.54 C ATOM 123 OD1 ASP A 28 8.050 15.709 -13.730 1.00 12.32 O ATOM 124 OD2 ASP A 28 6.104 15.563 -14.741 1.00 60.41 O ATOM 0 H ASP A 28 5.429 11.929 -12.639 1.00 73.11 H new ATOM 0 HA ASP A 28 7.632 12.780 -14.033 1.00 5.40 H new ATOM 0 HB2 ASP A 28 5.414 13.945 -12.998 1.00 31.02 H new ATOM 0 HB3 ASP A 28 6.593 14.538 -11.845 1.00 31.02 H new ATOM 129 N ILE A 29 9.648 13.159 -12.627 1.00 71.14 N ATOM 130 CA ILE A 29 10.874 13.207 -11.841 1.00 42.40 C ATOM 131 C ILE A 29 10.778 14.254 -10.736 1.00 34.42 C ATOM 132 O ILE A 29 11.520 14.206 -9.756 1.00 3.32 O ATOM 133 CB ILE A 29 12.097 13.521 -12.724 1.00 31.35 C ATOM 134 CG1 ILE A 29 13.390 13.325 -11.929 1.00 40.14 C ATOM 135 CG2 ILE A 29 12.010 14.940 -13.264 1.00 3.31 C ATOM 136 CD1 ILE A 29 13.590 11.908 -11.440 1.00 62.22 C ATOM 0 H ILE A 29 9.775 13.358 -13.619 1.00 71.14 H new ATOM 0 HA ILE A 29 11.001 12.221 -11.395 1.00 42.40 H new ATOM 0 HB ILE A 29 12.104 12.832 -13.569 1.00 31.35 H new ATOM 0 HG12 ILE A 29 14.237 13.608 -12.554 1.00 40.14 H new ATOM 0 HG13 ILE A 29 13.386 13.999 -11.072 1.00 40.14 H new ATOM 0 HG21 ILE A 29 12.881 15.147 -13.886 1.00 3.31 H new ATOM 0 HG22 ILE A 29 11.104 15.047 -13.861 1.00 3.31 H new ATOM 0 HG23 ILE A 29 11.982 15.645 -12.433 1.00 3.31 H new ATOM 0 HD11 ILE A 29 14.526 11.843 -10.885 1.00 62.22 H new ATOM 0 HD12 ILE A 29 12.762 11.627 -10.789 1.00 62.22 H new ATOM 0 HD13 ILE A 29 13.627 11.230 -12.293 1.00 62.22 H new ATOM 148 N ALA A 30 9.856 15.197 -10.900 1.00 72.33 N ATOM 149 CA ALA A 30 9.659 16.253 -9.915 1.00 32.51 C ATOM 150 C ALA A 30 8.905 15.732 -8.696 1.00 54.10 C ATOM 151 O ALA A 30 9.160 16.154 -7.568 1.00 42.42 O ATOM 152 CB ALA A 30 8.914 17.424 -10.538 1.00 64.01 C ATOM 0 H ALA A 30 9.234 15.251 -11.706 1.00 72.33 H new ATOM 0 HA ALA A 30 10.640 16.595 -9.585 1.00 32.51 H new ATOM 0 HB1 ALA A 30 8.774 18.205 -9.791 1.00 64.01 H new ATOM 0 HB2 ALA A 30 9.492 17.820 -11.373 1.00 64.01 H new ATOM 0 HB3 ALA A 30 7.942 17.087 -10.897 1.00 64.01 H new ATOM 158 N VAL A 31 7.973 14.813 -8.930 1.00 62.01 N ATOM 159 CA VAL A 31 7.182 14.235 -7.851 1.00 34.51 C ATOM 160 C VAL A 31 8.007 13.250 -7.030 1.00 45.24 C ATOM 161 O VAL A 31 7.713 13.001 -5.862 1.00 32.45 O ATOM 162 CB VAL A 31 5.934 13.513 -8.394 1.00 41.04 C ATOM 163 CG1 VAL A 31 5.194 12.805 -7.270 1.00 24.42 C ATOM 164 CG2 VAL A 31 5.019 14.496 -9.109 1.00 4.31 C ATOM 0 H VAL A 31 7.748 14.453 -9.857 1.00 62.01 H new ATOM 0 HA VAL A 31 6.867 15.061 -7.213 1.00 34.51 H new ATOM 0 HB VAL A 31 6.256 12.761 -9.114 1.00 41.04 H new ATOM 0 HG11 VAL A 31 4.316 12.301 -7.673 1.00 24.42 H new ATOM 0 HG12 VAL A 31 5.853 12.071 -6.807 1.00 24.42 H new ATOM 0 HG13 VAL A 31 4.882 13.535 -6.523 1.00 24.42 H new ATOM 0 HG21 VAL A 31 4.143 13.969 -9.486 1.00 4.31 H new ATOM 0 HG22 VAL A 31 4.704 15.272 -8.412 1.00 4.31 H new ATOM 0 HG23 VAL A 31 5.554 14.952 -9.942 1.00 4.31 H new ATOM 174 N TRP A 32 9.042 12.695 -7.650 1.00 64.30 N ATOM 175 CA TRP A 32 9.912 11.737 -6.976 1.00 42.04 C ATOM 176 C TRP A 32 10.814 12.438 -5.966 1.00 62.33 C ATOM 177 O TRP A 32 10.859 12.063 -4.794 1.00 34.22 O ATOM 178 CB TRP A 32 10.762 10.981 -7.999 1.00 52.23 C ATOM 179 CG TRP A 32 11.529 9.838 -7.406 1.00 13.30 C ATOM 180 CD1 TRP A 32 11.014 8.767 -6.733 1.00 13.42 C ATOM 181 CD2 TRP A 32 12.948 9.654 -7.431 1.00 43.02 C ATOM 182 NE1 TRP A 32 12.028 7.928 -6.338 1.00 12.40 N ATOM 183 CE2 TRP A 32 13.224 8.449 -6.755 1.00 0.40 C ATOM 184 CE3 TRP A 32 14.013 10.388 -7.961 1.00 30.12 C ATOM 185 CZ2 TRP A 32 14.520 7.966 -6.595 1.00 32.20 C ATOM 186 CZ3 TRP A 32 15.298 9.907 -7.801 1.00 24.31 C ATOM 187 CH2 TRP A 32 15.543 8.705 -7.123 1.00 61.24 C ATOM 0 H TRP A 32 9.299 12.891 -8.617 1.00 64.30 H new ATOM 0 HA TRP A 32 9.282 11.026 -6.441 1.00 42.04 H new ATOM 0 HB2 TRP A 32 10.115 10.603 -8.790 1.00 52.23 H new ATOM 0 HB3 TRP A 32 11.461 11.676 -8.464 1.00 52.23 H new ATOM 0 HD1 TRP A 32 9.964 8.604 -6.540 1.00 13.42 H new ATOM 0 HE1 TRP A 32 11.909 7.058 -5.819 1.00 12.40 H new ATOM 0 HE3 TRP A 32 13.834 11.315 -8.486 1.00 30.12 H new ATOM 0 HZ2 TRP A 32 14.711 7.040 -6.072 1.00 32.20 H new ATOM 0 HZ3 TRP A 32 16.128 10.467 -8.205 1.00 24.31 H new ATOM 0 HH2 TRP A 32 16.559 8.355 -7.015 1.00 61.24 H new ATOM 198 N LEU A 33 11.532 13.456 -6.427 1.00 54.32 N ATOM 199 CA LEU A 33 12.433 14.210 -5.563 1.00 1.22 C ATOM 200 C LEU A 33 11.651 15.121 -4.622 1.00 33.42 C ATOM 201 O LEU A 33 12.162 15.546 -3.586 1.00 72.32 O ATOM 202 CB LEU A 33 13.403 15.041 -6.405 1.00 60.30 C ATOM 203 CG LEU A 33 14.523 14.265 -7.099 1.00 3.11 C ATOM 204 CD1 LEU A 33 14.444 14.447 -8.607 1.00 1.43 C ATOM 205 CD2 LEU A 33 15.882 14.709 -6.577 1.00 30.12 C ATOM 0 H LEU A 33 11.508 13.778 -7.394 1.00 54.32 H new ATOM 0 HA LEU A 33 13.000 13.498 -4.963 1.00 1.22 H new ATOM 0 HB2 LEU A 33 12.830 15.571 -7.166 1.00 60.30 H new ATOM 0 HB3 LEU A 33 13.855 15.796 -5.762 1.00 60.30 H new ATOM 0 HG LEU A 33 14.398 13.206 -6.875 1.00 3.11 H new ATOM 0 HD11 LEU A 33 15.249 13.888 -9.084 1.00 1.43 H new ATOM 0 HD12 LEU A 33 13.483 14.080 -8.968 1.00 1.43 H new ATOM 0 HD13 LEU A 33 14.543 15.505 -8.852 1.00 1.43 H new ATOM 0 HD21 LEU A 33 16.667 14.146 -7.082 1.00 30.12 H new ATOM 0 HD22 LEU A 33 16.016 15.773 -6.771 1.00 30.12 H new ATOM 0 HD23 LEU A 33 15.937 14.526 -5.504 1.00 30.12 H new ATOM 217 N ALA A 34 10.407 15.414 -4.988 1.00 64.15 N ATOM 218 CA ALA A 34 9.553 16.270 -4.175 1.00 51.01 C ATOM 219 C ALA A 34 9.316 15.660 -2.798 1.00 24.13 C ATOM 220 O ALA A 34 9.004 16.367 -1.839 1.00 20.22 O ATOM 221 CB ALA A 34 8.227 16.516 -4.880 1.00 63.34 C ATOM 0 H ALA A 34 9.969 15.071 -5.843 1.00 64.15 H new ATOM 0 HA ALA A 34 10.062 17.224 -4.039 1.00 51.01 H new ATOM 0 HB1 ALA A 34 7.599 17.157 -4.261 1.00 63.34 H new ATOM 0 HB2 ALA A 34 8.409 17.003 -5.838 1.00 63.34 H new ATOM 0 HB3 ALA A 34 7.721 15.565 -5.047 1.00 63.34 H new ATOM 227 N THR A 35 9.466 14.342 -2.705 1.00 44.24 N ATOM 228 CA THR A 35 9.267 13.637 -1.446 1.00 23.42 C ATOM 229 C THR A 35 10.338 14.015 -0.429 1.00 31.34 C ATOM 230 O THR A 35 10.123 13.917 0.780 1.00 71.34 O ATOM 231 CB THR A 35 9.284 12.110 -1.648 1.00 61.24 C ATOM 232 OG1 THR A 35 8.799 11.454 -0.472 1.00 13.15 O ATOM 233 CG2 THR A 35 10.690 11.621 -1.964 1.00 53.21 C ATOM 0 H THR A 35 9.725 13.742 -3.488 1.00 44.24 H new ATOM 0 HA THR A 35 8.289 13.935 -1.068 1.00 23.42 H new ATOM 0 HB THR A 35 8.635 11.871 -2.490 1.00 61.24 H new ATOM 0 HG1 THR A 35 8.812 10.484 -0.610 1.00 13.15 H new ATOM 0 HG21 THR A 35 10.677 10.540 -2.102 1.00 53.21 H new ATOM 0 HG22 THR A 35 11.045 12.099 -2.877 1.00 53.21 H new ATOM 0 HG23 THR A 35 11.357 11.873 -1.139 1.00 53.21 H new ATOM 241 N VAL A 36 11.492 14.448 -0.925 1.00 25.02 N ATOM 242 CA VAL A 36 12.597 14.843 -0.059 1.00 33.15 C ATOM 243 C VAL A 36 12.873 16.338 -0.167 1.00 50.24 C ATOM 244 O VAL A 36 13.914 16.822 0.278 1.00 10.32 O ATOM 245 CB VAL A 36 13.883 14.068 -0.401 1.00 2.04 C ATOM 246 CG1 VAL A 36 13.740 12.601 -0.024 1.00 14.43 C ATOM 247 CG2 VAL A 36 14.218 14.217 -1.877 1.00 52.31 C ATOM 0 H VAL A 36 11.687 14.534 -1.923 1.00 25.02 H new ATOM 0 HA VAL A 36 12.299 14.605 0.962 1.00 33.15 H new ATOM 0 HB VAL A 36 14.704 14.489 0.179 1.00 2.04 H new ATOM 0 HG11 VAL A 36 14.659 12.070 -0.273 1.00 14.43 H new ATOM 0 HG12 VAL A 36 13.551 12.517 1.046 1.00 14.43 H new ATOM 0 HG13 VAL A 36 12.907 12.163 -0.575 1.00 14.43 H new ATOM 0 HG21 VAL A 36 15.130 13.663 -2.101 1.00 52.31 H new ATOM 0 HG22 VAL A 36 13.398 13.824 -2.478 1.00 52.31 H new ATOM 0 HG23 VAL A 36 14.367 15.271 -2.112 1.00 52.31 H new ATOM 257 N HIS A 37 11.933 17.066 -0.763 1.00 5.24 N ATOM 258 CA HIS A 37 12.075 18.508 -0.929 1.00 51.43 C ATOM 259 C HIS A 37 13.255 18.837 -1.839 1.00 21.03 C ATOM 260 O HIS A 37 14.042 19.740 -1.550 1.00 61.43 O ATOM 261 CB HIS A 37 12.259 19.184 0.430 1.00 45.44 C ATOM 262 CG HIS A 37 11.695 20.570 0.491 1.00 41.44 C ATOM 263 ND1 HIS A 37 12.200 21.553 1.316 1.00 33.22 N ATOM 264 CD2 HIS A 37 10.664 21.137 -0.179 1.00 62.21 C ATOM 265 CE1 HIS A 37 11.502 22.663 1.153 1.00 25.01 C ATOM 266 NE2 HIS A 37 10.565 22.437 0.251 1.00 52.34 N ATOM 0 H HIS A 37 11.066 16.681 -1.138 1.00 5.24 H new ATOM 0 HA HIS A 37 11.165 18.886 -1.394 1.00 51.43 H new ATOM 0 HB2 HIS A 37 11.784 18.573 1.198 1.00 45.44 H new ATOM 0 HB3 HIS A 37 13.322 19.223 0.666 1.00 45.44 H new ATOM 0 HD2 HIS A 37 10.036 20.656 -0.915 1.00 62.21 H new ATOM 0 HE1 HIS A 37 11.670 23.596 1.670 1.00 25.01 H new ATOM 0 HE2 HIS A 37 9.879 23.118 -0.074 1.00 52.34 H new ATOM 274 N LEU A 38 13.373 18.099 -2.937 1.00 32.11 N ATOM 275 CA LEU A 38 14.458 18.311 -3.889 1.00 13.22 C ATOM 276 C LEU A 38 13.947 18.229 -5.324 1.00 20.43 C ATOM 277 O LEU A 38 14.715 17.979 -6.252 1.00 62.00 O ATOM 278 CB LEU A 38 15.565 17.279 -3.669 1.00 73.31 C ATOM 279 CG LEU A 38 16.336 17.391 -2.354 1.00 1.33 C ATOM 280 CD1 LEU A 38 17.069 16.093 -2.052 1.00 2.50 C ATOM 281 CD2 LEU A 38 17.312 18.558 -2.406 1.00 22.40 C ATOM 0 H LEU A 38 12.731 17.348 -3.190 1.00 32.11 H new ATOM 0 HA LEU A 38 14.863 19.309 -3.724 1.00 13.22 H new ATOM 0 HB2 LEU A 38 15.123 16.284 -3.724 1.00 73.31 H new ATOM 0 HB3 LEU A 38 16.276 17.358 -4.491 1.00 73.31 H new ATOM 0 HG LEU A 38 15.622 17.576 -1.551 1.00 1.33 H new ATOM 0 HD11 LEU A 38 17.612 16.192 -1.112 1.00 2.50 H new ATOM 0 HD12 LEU A 38 16.349 15.279 -1.971 1.00 2.50 H new ATOM 0 HD13 LEU A 38 17.772 15.877 -2.856 1.00 2.50 H new ATOM 0 HD21 LEU A 38 17.852 18.623 -1.462 1.00 22.40 H new ATOM 0 HD22 LEU A 38 18.021 18.404 -3.220 1.00 22.40 H new ATOM 0 HD23 LEU A 38 16.763 19.484 -2.574 1.00 22.40 H new ATOM 293 N GLU A 39 12.646 18.442 -5.497 1.00 23.01 N ATOM 294 CA GLU A 39 12.034 18.393 -6.819 1.00 63.25 C ATOM 295 C GLU A 39 12.706 19.382 -7.767 1.00 44.02 C ATOM 296 O GLU A 39 12.674 19.210 -8.985 1.00 75.42 O ATOM 297 CB GLU A 39 10.538 18.697 -6.725 1.00 34.22 C ATOM 298 CG GLU A 39 10.232 20.113 -6.267 1.00 50.03 C ATOM 299 CD GLU A 39 9.482 20.915 -7.313 1.00 71.10 C ATOM 300 OE1 GLU A 39 8.447 20.423 -7.809 1.00 62.24 O ATOM 301 OE2 GLU A 39 9.930 22.035 -7.635 1.00 2.43 O ATOM 0 H GLU A 39 11.996 18.650 -4.739 1.00 23.01 H new ATOM 0 HA GLU A 39 12.169 17.387 -7.216 1.00 63.25 H new ATOM 0 HB2 GLU A 39 10.081 18.533 -7.701 1.00 34.22 H new ATOM 0 HB3 GLU A 39 10.075 17.993 -6.034 1.00 34.22 H new ATOM 0 HG2 GLU A 39 9.642 20.075 -5.351 1.00 50.03 H new ATOM 0 HG3 GLU A 39 11.165 20.622 -6.024 1.00 50.03 H new ATOM 308 N GLN A 40 13.314 20.418 -7.198 1.00 65.21 N ATOM 309 CA GLN A 40 13.993 21.435 -7.992 1.00 41.31 C ATOM 310 C GLN A 40 15.090 20.814 -8.850 1.00 71.15 C ATOM 311 O GLN A 40 15.455 21.353 -9.895 1.00 53.44 O ATOM 312 CB GLN A 40 14.589 22.510 -7.081 1.00 23.31 C ATOM 313 CG GLN A 40 15.702 21.996 -6.182 1.00 63.10 C ATOM 314 CD GLN A 40 15.964 22.906 -4.998 1.00 55.33 C ATOM 315 OE1 GLN A 40 16.820 23.789 -5.056 1.00 64.42 O ATOM 316 NE2 GLN A 40 15.224 22.697 -3.915 1.00 61.44 N ATOM 0 H GLN A 40 13.350 20.575 -6.191 1.00 65.21 H new ATOM 0 HA GLN A 40 13.258 21.895 -8.652 1.00 41.31 H new ATOM 0 HB2 GLN A 40 14.976 23.322 -7.696 1.00 23.31 H new ATOM 0 HB3 GLN A 40 13.797 22.929 -6.461 1.00 23.31 H new ATOM 0 HG2 GLN A 40 15.441 21.001 -5.820 1.00 63.10 H new ATOM 0 HG3 GLN A 40 16.617 21.893 -6.766 1.00 63.10 H new ATOM 0 HE21 GLN A 40 14.526 21.954 -3.910 1.00 61.44 H new ATOM 0 HE22 GLN A 40 15.354 23.280 -3.088 1.00 61.44 H new ATOM 325 N TYR A 41 15.612 19.678 -8.403 1.00 21.52 N ATOM 326 CA TYR A 41 16.670 18.984 -9.129 1.00 14.14 C ATOM 327 C TYR A 41 16.112 18.277 -10.360 1.00 52.12 C ATOM 328 O TYR A 41 16.862 17.742 -11.176 1.00 3.33 O ATOM 329 CB TYR A 41 17.364 17.972 -8.216 1.00 72.43 C ATOM 330 CG TYR A 41 18.729 18.418 -7.744 1.00 42.25 C ATOM 331 CD1 TYR A 41 19.691 18.852 -8.649 1.00 55.20 C ATOM 332 CD2 TYR A 41 19.058 18.405 -6.395 1.00 3.22 C ATOM 333 CE1 TYR A 41 20.940 19.261 -8.223 1.00 34.52 C ATOM 334 CE2 TYR A 41 20.304 18.813 -5.959 1.00 42.14 C ATOM 335 CZ TYR A 41 21.241 19.240 -6.877 1.00 65.41 C ATOM 336 OH TYR A 41 22.484 19.645 -6.448 1.00 2.44 O ATOM 0 H TYR A 41 15.320 19.217 -7.541 1.00 21.52 H new ATOM 0 HA TYR A 41 17.398 19.726 -9.457 1.00 14.14 H new ATOM 0 HB2 TYR A 41 16.732 17.785 -7.348 1.00 72.43 H new ATOM 0 HB3 TYR A 41 17.464 17.025 -8.747 1.00 72.43 H new ATOM 0 HD1 TYR A 41 19.458 18.870 -9.703 1.00 55.20 H new ATOM 0 HD2 TYR A 41 18.327 18.070 -5.674 1.00 3.22 H new ATOM 0 HE1 TYR A 41 21.676 19.595 -8.939 1.00 34.52 H new ATOM 0 HE2 TYR A 41 20.543 18.798 -4.906 1.00 42.14 H new ATOM 0 HH TYR A 41 23.014 19.942 -7.216 1.00 2.44 H new ATOM 346 N ALA A 42 14.789 18.280 -10.488 1.00 31.04 N ATOM 347 CA ALA A 42 14.129 17.642 -11.620 1.00 22.00 C ATOM 348 C ALA A 42 14.573 18.268 -12.938 1.00 30.22 C ATOM 349 O ALA A 42 14.543 17.620 -13.984 1.00 44.35 O ATOM 350 CB ALA A 42 12.618 17.736 -11.471 1.00 72.45 C ATOM 0 H ALA A 42 14.153 18.718 -9.821 1.00 31.04 H new ATOM 0 HA ALA A 42 14.417 16.591 -11.632 1.00 22.00 H new ATOM 0 HB1 ALA A 42 12.138 17.256 -12.323 1.00 72.45 H new ATOM 0 HB2 ALA A 42 12.311 17.236 -10.552 1.00 72.45 H new ATOM 0 HB3 ALA A 42 12.321 18.784 -11.430 1.00 72.45 H new ATOM 356 N ASP A 43 14.983 19.530 -12.879 1.00 40.03 N ATOM 357 CA ASP A 43 15.433 20.243 -14.069 1.00 5.52 C ATOM 358 C ASP A 43 16.606 19.520 -14.725 1.00 14.41 C ATOM 359 O ASP A 43 16.486 19.000 -15.835 1.00 2.13 O ATOM 360 CB ASP A 43 15.838 21.674 -13.709 1.00 15.10 C ATOM 361 CG ASP A 43 15.176 22.705 -14.603 1.00 32.45 C ATOM 362 OD1 ASP A 43 13.989 22.520 -14.944 1.00 73.41 O ATOM 363 OD2 ASP A 43 15.845 23.697 -14.960 1.00 33.34 O ATOM 0 H ASP A 43 15.013 20.080 -12.021 1.00 40.03 H new ATOM 0 HA ASP A 43 14.606 20.274 -14.778 1.00 5.52 H new ATOM 0 HB2 ASP A 43 15.573 21.873 -12.671 1.00 15.10 H new ATOM 0 HB3 ASP A 43 16.921 21.772 -13.786 1.00 15.10 H new ATOM 368 N THR A 44 17.740 19.492 -14.032 1.00 11.11 N ATOM 369 CA THR A 44 18.934 18.835 -14.548 1.00 3.45 C ATOM 370 C THR A 44 18.652 17.380 -14.903 1.00 13.21 C ATOM 371 O THR A 44 19.238 16.834 -15.837 1.00 62.43 O ATOM 372 CB THR A 44 20.089 18.888 -13.529 1.00 14.31 C ATOM 373 OG1 THR A 44 21.237 18.214 -14.055 1.00 3.23 O ATOM 374 CG2 THR A 44 19.678 18.248 -12.212 1.00 15.25 C ATOM 0 H THR A 44 17.856 19.917 -13.112 1.00 11.11 H new ATOM 0 HA THR A 44 19.227 19.375 -15.448 1.00 3.45 H new ATOM 0 HB THR A 44 20.335 19.934 -13.345 1.00 14.31 H new ATOM 0 HG1 THR A 44 21.880 18.050 -13.333 1.00 3.23 H new ATOM 0 HG21 THR A 44 20.509 18.297 -11.509 1.00 15.25 H new ATOM 0 HG22 THR A 44 18.822 18.782 -11.800 1.00 15.25 H new ATOM 0 HG23 THR A 44 19.408 17.206 -12.383 1.00 15.25 H new ATOM 382 N PHE A 45 17.749 16.757 -14.152 1.00 41.33 N ATOM 383 CA PHE A 45 17.389 15.364 -14.388 1.00 53.14 C ATOM 384 C PHE A 45 16.720 15.199 -15.750 1.00 62.51 C ATOM 385 O PHE A 45 17.136 14.371 -16.561 1.00 44.22 O ATOM 386 CB PHE A 45 16.455 14.863 -13.285 1.00 32.21 C ATOM 387 CG PHE A 45 17.061 13.788 -12.429 1.00 4.24 C ATOM 388 CD1 PHE A 45 18.123 14.073 -11.585 1.00 14.15 C ATOM 389 CD2 PHE A 45 16.571 12.493 -12.468 1.00 72.01 C ATOM 390 CE1 PHE A 45 18.683 13.087 -10.795 1.00 30.32 C ATOM 391 CE2 PHE A 45 17.127 11.503 -11.681 1.00 33.35 C ATOM 392 CZ PHE A 45 18.185 11.800 -10.844 1.00 31.42 C ATOM 0 H PHE A 45 17.254 17.195 -13.375 1.00 41.33 H new ATOM 0 HA PHE A 45 18.304 14.771 -14.377 1.00 53.14 H new ATOM 0 HB2 PHE A 45 16.170 15.703 -12.652 1.00 32.21 H new ATOM 0 HB3 PHE A 45 15.540 14.482 -13.740 1.00 32.21 H new ATOM 0 HD1 PHE A 45 18.518 15.078 -11.544 1.00 14.15 H new ATOM 0 HD2 PHE A 45 15.745 12.254 -13.121 1.00 72.01 H new ATOM 0 HE1 PHE A 45 19.509 13.323 -10.140 1.00 30.32 H new ATOM 0 HE2 PHE A 45 16.735 10.498 -11.720 1.00 33.35 H new ATOM 0 HZ PHE A 45 18.622 11.027 -10.229 1.00 31.42 H new ATOM 402 N ARG A 46 15.681 15.991 -15.993 1.00 4.11 N ATOM 403 CA ARG A 46 14.954 15.932 -17.255 1.00 34.33 C ATOM 404 C ARG A 46 15.888 16.188 -18.434 1.00 13.23 C ATOM 405 O ARG A 46 15.840 15.482 -19.441 1.00 42.21 O ATOM 406 CB ARG A 46 13.816 16.954 -17.260 1.00 75.02 C ATOM 407 CG ARG A 46 12.802 16.743 -16.147 1.00 70.13 C ATOM 408 CD ARG A 46 12.223 18.063 -15.663 1.00 51.25 C ATOM 409 NE ARG A 46 10.843 18.250 -16.104 1.00 30.32 N ATOM 410 CZ ARG A 46 9.994 19.091 -15.524 1.00 32.42 C ATOM 411 NH1 ARG A 46 10.382 19.819 -14.486 1.00 33.10 N ATOM 412 NH2 ARG A 46 8.754 19.205 -15.982 1.00 71.33 N ATOM 0 H ARG A 46 15.324 16.681 -15.332 1.00 4.11 H new ATOM 0 HA ARG A 46 14.535 14.931 -17.358 1.00 34.33 H new ATOM 0 HB2 ARG A 46 14.238 17.955 -17.171 1.00 75.02 H new ATOM 0 HB3 ARG A 46 13.303 16.909 -18.221 1.00 75.02 H new ATOM 0 HG2 ARG A 46 11.997 16.100 -16.504 1.00 70.13 H new ATOM 0 HG3 ARG A 46 13.277 16.226 -15.314 1.00 70.13 H new ATOM 0 HD2 ARG A 46 12.264 18.099 -14.574 1.00 51.25 H new ATOM 0 HD3 ARG A 46 12.836 18.885 -16.032 1.00 51.25 H new ATOM 0 HE ARG A 46 10.513 17.705 -16.901 1.00 30.32 H new ATOM 0 HH11 ARG A 46 11.334 19.734 -14.131 1.00 33.10 H new ATOM 0 HH12 ARG A 46 9.728 20.464 -14.043 1.00 33.10 H new ATOM 0 HH21 ARG A 46 8.452 18.647 -16.780 1.00 71.33 H new ATOM 0 HH22 ARG A 46 8.103 19.851 -15.536 1.00 71.33 H new ATOM 426 N ARG A 47 16.735 17.203 -18.300 1.00 44.14 N ATOM 427 CA ARG A 47 17.679 17.554 -19.355 1.00 21.11 C ATOM 428 C ARG A 47 18.687 16.430 -19.579 1.00 12.25 C ATOM 429 O ARG A 47 19.380 16.397 -20.596 1.00 32.21 O ATOM 430 CB ARG A 47 18.413 18.849 -19.002 1.00 20.23 C ATOM 431 CG ARG A 47 18.941 19.599 -20.213 1.00 42.33 C ATOM 432 CD ARG A 47 18.159 20.880 -20.460 1.00 5.25 C ATOM 433 NE ARG A 47 18.070 21.202 -21.881 1.00 74.23 N ATOM 434 CZ ARG A 47 17.520 22.317 -22.349 1.00 44.21 C ATOM 435 NH1 ARG A 47 17.015 23.213 -21.512 1.00 44.13 N ATOM 436 NH2 ARG A 47 17.476 22.539 -23.657 1.00 22.53 N ATOM 0 H ARG A 47 16.787 17.797 -17.472 1.00 44.14 H new ATOM 0 HA ARG A 47 17.116 17.703 -20.277 1.00 21.11 H new ATOM 0 HB2 ARG A 47 17.737 19.500 -18.448 1.00 20.23 H new ATOM 0 HB3 ARG A 47 19.246 18.615 -18.338 1.00 20.23 H new ATOM 0 HG2 ARG A 47 19.994 19.837 -20.064 1.00 42.33 H new ATOM 0 HG3 ARG A 47 18.881 18.959 -21.093 1.00 42.33 H new ATOM 0 HD2 ARG A 47 17.155 20.777 -20.048 1.00 5.25 H new ATOM 0 HD3 ARG A 47 18.637 21.704 -19.931 1.00 5.25 H new ATOM 0 HE ARG A 47 18.451 20.534 -22.551 1.00 74.23 H new ATOM 0 HH11 ARG A 47 17.048 23.047 -20.506 1.00 44.13 H new ATOM 0 HH12 ARG A 47 16.593 24.068 -21.874 1.00 44.13 H new ATOM 0 HH21 ARG A 47 17.865 21.853 -24.304 1.00 22.53 H new ATOM 0 HH22 ARG A 47 17.053 23.396 -24.015 1.00 22.53 H new ATOM 450 N HIS A 48 18.763 15.511 -18.621 1.00 3.52 N ATOM 451 CA HIS A 48 19.686 14.386 -18.713 1.00 64.11 C ATOM 452 C HIS A 48 19.058 13.230 -19.486 1.00 21.03 C ATOM 453 O HIS A 48 19.719 12.234 -19.779 1.00 14.34 O ATOM 454 CB HIS A 48 20.095 13.918 -17.316 1.00 1.40 C ATOM 455 CG HIS A 48 21.574 13.748 -17.150 1.00 51.21 C ATOM 456 ND1 HIS A 48 22.150 12.583 -16.691 1.00 25.14 N ATOM 457 CD2 HIS A 48 22.596 14.604 -17.387 1.00 74.20 C ATOM 458 CE1 HIS A 48 23.463 12.730 -16.650 1.00 73.23 C ATOM 459 NE2 HIS A 48 23.759 13.947 -17.068 1.00 52.24 N ATOM 0 H HIS A 48 18.197 15.524 -17.773 1.00 3.52 H new ATOM 0 HA HIS A 48 20.574 14.720 -19.250 1.00 64.11 H new ATOM 0 HB2 HIS A 48 19.736 14.638 -16.581 1.00 1.40 H new ATOM 0 HB3 HIS A 48 19.602 12.970 -17.101 1.00 1.40 H new ATOM 0 HD2 HIS A 48 22.512 15.615 -17.758 1.00 74.20 H new ATOM 0 HE1 HIS A 48 24.173 11.982 -16.329 1.00 73.23 H new ATOM 0 HE2 HIS A 48 24.699 14.336 -17.142 1.00 52.24 H new ATOM 467 N GLY A 49 17.777 13.370 -19.812 1.00 73.33 N ATOM 468 CA GLY A 49 17.081 12.329 -20.547 1.00 13.42 C ATOM 469 C GLY A 49 16.227 11.457 -19.648 1.00 25.31 C ATOM 470 O GLY A 49 15.814 10.365 -20.041 1.00 23.35 O ATOM 0 H GLY A 49 17.209 14.185 -19.581 1.00 73.33 H new ATOM 0 HA2 GLY A 49 16.451 12.786 -21.310 1.00 13.42 H new ATOM 0 HA3 GLY A 49 17.809 11.706 -21.067 1.00 13.42 H new ATOM 474 N LEU A 50 15.964 11.937 -18.438 1.00 34.34 N ATOM 475 CA LEU A 50 15.155 11.192 -17.479 1.00 31.22 C ATOM 476 C LEU A 50 14.214 12.123 -16.721 1.00 74.31 C ATOM 477 O LEU A 50 14.589 12.709 -15.706 1.00 54.24 O ATOM 478 CB LEU A 50 16.056 10.446 -16.493 1.00 33.12 C ATOM 479 CG LEU A 50 17.433 11.062 -16.243 1.00 52.04 C ATOM 480 CD1 LEU A 50 17.891 10.786 -14.820 1.00 0.32 C ATOM 481 CD2 LEU A 50 18.446 10.527 -17.245 1.00 32.32 C ATOM 0 H LEU A 50 16.299 12.838 -18.097 1.00 34.34 H new ATOM 0 HA LEU A 50 14.554 10.469 -18.031 1.00 31.22 H new ATOM 0 HB2 LEU A 50 15.534 10.373 -15.539 1.00 33.12 H new ATOM 0 HB3 LEU A 50 16.196 9.429 -16.858 1.00 33.12 H new ATOM 0 HG LEU A 50 17.357 12.141 -16.375 1.00 52.04 H new ATOM 0 HD11 LEU A 50 18.873 11.232 -14.661 1.00 0.32 H new ATOM 0 HD12 LEU A 50 17.178 11.218 -14.118 1.00 0.32 H new ATOM 0 HD13 LEU A 50 17.951 9.710 -14.659 1.00 0.32 H new ATOM 0 HD21 LEU A 50 19.420 10.976 -17.052 1.00 32.32 H new ATOM 0 HD22 LEU A 50 18.519 9.444 -17.145 1.00 32.32 H new ATOM 0 HD23 LEU A 50 18.125 10.777 -18.256 1.00 32.32 H new ATOM 493 N ALA A 51 12.989 12.251 -17.220 1.00 53.43 N ATOM 494 CA ALA A 51 11.992 13.107 -16.588 1.00 43.23 C ATOM 495 C ALA A 51 11.019 12.288 -15.748 1.00 33.02 C ATOM 496 O ALA A 51 9.978 12.788 -15.320 1.00 10.25 O ATOM 497 CB ALA A 51 11.240 13.907 -17.641 1.00 53.50 C ATOM 0 H ALA A 51 12.663 11.773 -18.060 1.00 53.43 H new ATOM 0 HA ALA A 51 12.511 13.799 -15.924 1.00 43.23 H new ATOM 0 HB1 ALA A 51 10.499 14.542 -17.155 1.00 53.50 H new ATOM 0 HB2 ALA A 51 11.942 14.529 -18.196 1.00 53.50 H new ATOM 0 HB3 ALA A 51 10.739 13.224 -18.327 1.00 53.50 H new ATOM 503 N THR A 52 11.362 11.025 -15.515 1.00 65.01 N ATOM 504 CA THR A 52 10.518 10.136 -14.728 1.00 21.35 C ATOM 505 C THR A 52 11.358 9.170 -13.899 1.00 42.34 C ATOM 506 O THR A 52 12.477 8.825 -14.278 1.00 20.34 O ATOM 507 CB THR A 52 9.563 9.327 -15.625 1.00 73.03 C ATOM 508 OG1 THR A 52 10.304 8.378 -16.400 1.00 22.12 O ATOM 509 CG2 THR A 52 8.783 10.247 -16.552 1.00 73.14 C ATOM 0 H THR A 52 12.220 10.595 -15.861 1.00 65.01 H new ATOM 0 HA THR A 52 9.931 10.767 -14.061 1.00 21.35 H new ATOM 0 HB THR A 52 8.857 8.799 -14.983 1.00 73.03 H new ATOM 0 HG1 THR A 52 9.689 7.867 -16.966 1.00 22.12 H new ATOM 0 HG21 THR A 52 8.115 9.653 -17.176 1.00 73.14 H new ATOM 0 HG22 THR A 52 8.197 10.949 -15.959 1.00 73.14 H new ATOM 0 HG23 THR A 52 9.477 10.798 -17.186 1.00 73.14 H new ATOM 517 N ALA A 53 10.811 8.738 -12.768 1.00 62.31 N ATOM 518 CA ALA A 53 11.510 7.809 -11.888 1.00 12.42 C ATOM 519 C ALA A 53 11.796 6.490 -12.597 1.00 44.32 C ATOM 520 O ALA A 53 12.675 5.732 -12.188 1.00 51.43 O ATOM 521 CB ALA A 53 10.697 7.566 -10.625 1.00 53.11 C ATOM 0 H ALA A 53 9.886 9.016 -12.439 1.00 62.31 H new ATOM 0 HA ALA A 53 12.465 8.257 -11.612 1.00 12.42 H new ATOM 0 HB1 ALA A 53 11.231 6.871 -9.977 1.00 53.11 H new ATOM 0 HB2 ALA A 53 10.549 8.510 -10.100 1.00 53.11 H new ATOM 0 HB3 ALA A 53 9.728 7.143 -10.892 1.00 53.11 H new ATOM 527 N GLY A 54 11.048 6.222 -13.663 1.00 31.20 N ATOM 528 CA GLY A 54 11.237 4.993 -14.411 1.00 72.05 C ATOM 529 C GLY A 54 12.325 5.114 -15.459 1.00 64.23 C ATOM 530 O GLY A 54 12.852 4.109 -15.936 1.00 33.32 O ATOM 0 H GLY A 54 10.315 6.834 -14.022 1.00 31.20 H new ATOM 0 HA2 GLY A 54 11.489 4.187 -13.722 1.00 72.05 H new ATOM 0 HA3 GLY A 54 10.300 4.718 -14.895 1.00 72.05 H new ATOM 534 N ALA A 55 12.663 6.348 -15.820 1.00 72.52 N ATOM 535 CA ALA A 55 13.696 6.596 -16.818 1.00 71.01 C ATOM 536 C ALA A 55 15.035 6.902 -16.157 1.00 4.50 C ATOM 537 O ALA A 55 16.050 7.063 -16.834 1.00 63.42 O ATOM 538 CB ALA A 55 13.282 7.740 -17.732 1.00 64.33 C ATOM 0 H ALA A 55 12.236 7.191 -15.436 1.00 72.52 H new ATOM 0 HA ALA A 55 13.814 5.692 -17.416 1.00 71.01 H new ATOM 0 HB1 ALA A 55 14.062 7.915 -18.473 1.00 64.33 H new ATOM 0 HB2 ALA A 55 12.352 7.483 -18.239 1.00 64.33 H new ATOM 0 HB3 ALA A 55 13.135 8.643 -17.140 1.00 64.33 H new ATOM 544 N ALA A 56 15.031 6.983 -14.830 1.00 55.44 N ATOM 545 CA ALA A 56 16.246 7.270 -14.078 1.00 73.51 C ATOM 546 C ALA A 56 16.706 6.046 -13.292 1.00 54.32 C ATOM 547 O ALA A 56 17.837 5.997 -12.809 1.00 32.23 O ATOM 548 CB ALA A 56 16.022 8.447 -13.141 1.00 54.45 C ATOM 0 H ALA A 56 14.199 6.854 -14.254 1.00 55.44 H new ATOM 0 HA ALA A 56 17.031 7.530 -14.788 1.00 73.51 H new ATOM 0 HB1 ALA A 56 16.938 8.650 -12.586 1.00 54.45 H new ATOM 0 HB2 ALA A 56 15.747 9.327 -13.722 1.00 54.45 H new ATOM 0 HB3 ALA A 56 15.220 8.209 -12.443 1.00 54.45 H new ATOM 554 N ARG A 57 15.822 5.062 -13.168 1.00 34.11 N ATOM 555 CA ARG A 57 16.137 3.839 -12.439 1.00 12.44 C ATOM 556 C ARG A 57 17.463 3.251 -12.912 1.00 34.41 C ATOM 557 O ARG A 57 17.541 2.653 -13.985 1.00 14.44 O ATOM 558 CB ARG A 57 15.018 2.812 -12.616 1.00 32.51 C ATOM 559 CG ARG A 57 14.658 2.548 -14.069 1.00 33.32 C ATOM 560 CD ARG A 57 13.319 1.837 -14.191 1.00 31.13 C ATOM 561 NE ARG A 57 13.257 0.987 -15.377 1.00 34.45 N ATOM 562 CZ ARG A 57 12.296 0.094 -15.591 1.00 43.44 C ATOM 563 NH1 ARG A 57 11.323 -0.063 -14.705 1.00 73.12 N ATOM 564 NH2 ARG A 57 12.308 -0.642 -16.695 1.00 23.31 N ATOM 0 H ARG A 57 14.882 5.087 -13.563 1.00 34.11 H new ATOM 0 HA ARG A 57 16.227 4.088 -11.382 1.00 12.44 H new ATOM 0 HB2 ARG A 57 15.320 1.874 -12.149 1.00 32.51 H new ATOM 0 HB3 ARG A 57 14.130 3.160 -12.088 1.00 32.51 H new ATOM 0 HG2 ARG A 57 14.621 3.492 -14.613 1.00 33.32 H new ATOM 0 HG3 ARG A 57 15.436 1.943 -14.534 1.00 33.32 H new ATOM 0 HD2 ARG A 57 13.148 1.231 -13.301 1.00 31.13 H new ATOM 0 HD3 ARG A 57 12.519 2.576 -14.232 1.00 31.13 H new ATOM 0 HE ARG A 57 13.991 1.084 -16.079 1.00 34.45 H new ATOM 0 HH11 ARG A 57 11.310 0.502 -13.856 1.00 73.12 H new ATOM 0 HH12 ARG A 57 10.587 -0.749 -14.872 1.00 73.12 H new ATOM 0 HH21 ARG A 57 13.055 -0.523 -17.379 1.00 23.31 H new ATOM 0 HH22 ARG A 57 11.571 -1.327 -16.859 1.00 23.31 H new ATOM 578 N GLY A 58 18.504 3.424 -12.103 1.00 52.33 N ATOM 579 CA GLY A 58 19.812 2.905 -12.457 1.00 2.33 C ATOM 580 C GLY A 58 20.933 3.852 -12.076 1.00 65.32 C ATOM 581 O GLY A 58 22.078 3.432 -11.902 1.00 64.25 O ATOM 0 H GLY A 58 18.465 3.914 -11.209 1.00 52.33 H new ATOM 0 HA2 GLY A 58 19.966 1.947 -11.961 1.00 2.33 H new ATOM 0 HA3 GLY A 58 19.847 2.718 -13.530 1.00 2.33 H new ATOM 585 N LEU A 59 20.606 5.133 -11.948 1.00 21.33 N ATOM 586 CA LEU A 59 21.595 6.143 -11.587 1.00 21.42 C ATOM 587 C LEU A 59 22.365 5.728 -10.337 1.00 2.40 C ATOM 588 O LEU A 59 21.811 5.108 -9.431 1.00 14.44 O ATOM 589 CB LEU A 59 20.914 7.492 -11.356 1.00 14.53 C ATOM 590 CG LEU A 59 20.884 8.443 -12.553 1.00 4.21 C ATOM 591 CD1 LEU A 59 19.814 9.507 -12.364 1.00 31.21 C ATOM 592 CD2 LEU A 59 22.248 9.087 -12.756 1.00 62.23 C ATOM 0 H LEU A 59 19.664 5.497 -12.089 1.00 21.33 H new ATOM 0 HA LEU A 59 22.301 6.236 -12.412 1.00 21.42 H new ATOM 0 HB2 LEU A 59 19.888 7.308 -11.038 1.00 14.53 H new ATOM 0 HB3 LEU A 59 21.419 7.995 -10.531 1.00 14.53 H new ATOM 0 HG LEU A 59 20.639 7.866 -13.445 1.00 4.21 H new ATOM 0 HD11 LEU A 59 19.808 10.174 -13.226 1.00 31.21 H new ATOM 0 HD12 LEU A 59 18.839 9.029 -12.268 1.00 31.21 H new ATOM 0 HD13 LEU A 59 20.027 10.081 -11.462 1.00 31.21 H new ATOM 0 HD21 LEU A 59 22.209 9.761 -13.612 1.00 62.23 H new ATOM 0 HD22 LEU A 59 22.521 9.650 -11.863 1.00 62.23 H new ATOM 0 HD23 LEU A 59 22.993 8.312 -12.938 1.00 62.23 H new ATOM 604 N GLY A 60 23.648 6.078 -10.295 1.00 74.31 N ATOM 605 CA GLY A 60 24.473 5.736 -9.151 1.00 74.23 C ATOM 606 C GLY A 60 24.991 6.960 -8.423 1.00 52.34 C ATOM 607 O GLY A 60 24.550 8.080 -8.685 1.00 71.00 O ATOM 0 H GLY A 60 24.130 6.592 -11.033 1.00 74.31 H new ATOM 0 HA2 GLY A 60 23.894 5.124 -8.460 1.00 74.23 H new ATOM 0 HA3 GLY A 60 25.316 5.131 -9.483 1.00 74.23 H new ATOM 611 N HIS A 61 25.929 6.749 -7.506 1.00 32.54 N ATOM 612 CA HIS A 61 26.507 7.845 -6.736 1.00 70.44 C ATOM 613 C HIS A 61 27.493 8.642 -7.584 1.00 41.42 C ATOM 614 O HIS A 61 27.317 9.842 -7.793 1.00 0.23 O ATOM 615 CB HIS A 61 27.208 7.306 -5.489 1.00 2.00 C ATOM 616 CG HIS A 61 26.567 7.740 -4.207 1.00 10.11 C ATOM 617 ND1 HIS A 61 26.167 9.038 -3.967 1.00 24.20 N ATOM 618 CD2 HIS A 61 26.255 7.040 -3.092 1.00 31.44 C ATOM 619 CE1 HIS A 61 25.639 9.117 -2.759 1.00 10.22 C ATOM 620 NE2 HIS A 61 25.680 7.918 -2.207 1.00 34.03 N ATOM 0 H HIS A 61 26.305 5.829 -7.278 1.00 32.54 H new ATOM 0 HA HIS A 61 25.698 8.508 -6.430 1.00 70.44 H new ATOM 0 HB2 HIS A 61 27.218 6.217 -5.530 1.00 2.00 H new ATOM 0 HB3 HIS A 61 28.247 7.635 -5.496 1.00 2.00 H new ATOM 0 HD2 HIS A 61 26.426 5.986 -2.929 1.00 31.44 H new ATOM 0 HE1 HIS A 61 25.241 10.010 -2.301 1.00 10.22 H new ATOM 0 HE2 HIS A 61 25.340 7.683 -1.275 1.00 34.03 H new ATOM 628 N GLU A 62 28.531 7.967 -8.069 1.00 54.32 N ATOM 629 CA GLU A 62 29.545 8.615 -8.893 1.00 31.22 C ATOM 630 C GLU A 62 28.907 9.321 -10.086 1.00 5.44 C ATOM 631 O GLU A 62 29.448 10.299 -10.602 1.00 62.41 O ATOM 632 CB GLU A 62 30.568 7.588 -9.382 1.00 25.14 C ATOM 633 CG GLU A 62 31.976 8.145 -9.510 1.00 41.34 C ATOM 634 CD GLU A 62 33.023 7.230 -8.906 1.00 45.23 C ATOM 635 OE1 GLU A 62 33.208 6.112 -9.430 1.00 22.20 O ATOM 636 OE2 GLU A 62 33.659 7.633 -7.909 1.00 53.43 O ATOM 0 H GLU A 62 28.692 6.973 -7.906 1.00 54.32 H new ATOM 0 HA GLU A 62 30.053 9.360 -8.281 1.00 31.22 H new ATOM 0 HB2 GLU A 62 30.581 6.744 -8.692 1.00 25.14 H new ATOM 0 HB3 GLU A 62 30.249 7.203 -10.351 1.00 25.14 H new ATOM 0 HG2 GLU A 62 32.204 8.306 -10.564 1.00 41.34 H new ATOM 0 HG3 GLU A 62 32.024 9.118 -9.021 1.00 41.34 H new ATOM 643 N GLU A 63 27.755 8.819 -10.517 1.00 61.53 N ATOM 644 CA GLU A 63 27.045 9.401 -11.650 1.00 71.30 C ATOM 645 C GLU A 63 26.285 10.655 -11.229 1.00 41.42 C ATOM 646 O GLU A 63 26.171 11.613 -11.996 1.00 71.51 O ATOM 647 CB GLU A 63 26.075 8.381 -12.251 1.00 11.31 C ATOM 648 CG GLU A 63 25.351 8.885 -13.488 1.00 44.53 C ATOM 649 CD GLU A 63 26.304 9.319 -14.585 1.00 44.12 C ATOM 650 OE1 GLU A 63 27.264 8.572 -14.867 1.00 45.43 O ATOM 651 OE2 GLU A 63 26.089 10.406 -15.162 1.00 21.03 O ATOM 0 H GLU A 63 27.293 8.011 -10.099 1.00 61.53 H new ATOM 0 HA GLU A 63 27.782 9.679 -12.404 1.00 71.30 H new ATOM 0 HB2 GLU A 63 26.625 7.475 -12.506 1.00 11.31 H new ATOM 0 HB3 GLU A 63 25.338 8.104 -11.497 1.00 11.31 H new ATOM 0 HG2 GLU A 63 24.699 8.099 -13.868 1.00 44.53 H new ATOM 0 HG3 GLU A 63 24.712 9.724 -13.214 1.00 44.53 H new ATOM 658 N LEU A 64 25.767 10.643 -10.006 1.00 53.41 N ATOM 659 CA LEU A 64 25.017 11.779 -9.482 1.00 14.52 C ATOM 660 C LEU A 64 25.928 12.985 -9.275 1.00 40.14 C ATOM 661 O LEU A 64 25.485 14.132 -9.346 1.00 31.41 O ATOM 662 CB LEU A 64 24.341 11.404 -8.162 1.00 2.44 C ATOM 663 CG LEU A 64 22.910 10.878 -8.266 1.00 75.40 C ATOM 664 CD1 LEU A 64 22.380 10.495 -6.893 1.00 11.33 C ATOM 665 CD2 LEU A 64 22.006 11.914 -8.919 1.00 22.15 C ATOM 0 H LEU A 64 25.852 9.859 -9.359 1.00 53.41 H new ATOM 0 HA LEU A 64 24.253 12.045 -10.212 1.00 14.52 H new ATOM 0 HB2 LEU A 64 24.950 10.647 -7.668 1.00 2.44 H new ATOM 0 HB3 LEU A 64 24.338 12.282 -7.516 1.00 2.44 H new ATOM 0 HG LEU A 64 22.917 9.985 -8.892 1.00 75.40 H new ATOM 0 HD11 LEU A 64 21.360 10.123 -6.988 1.00 11.33 H new ATOM 0 HD12 LEU A 64 23.012 9.718 -6.463 1.00 11.33 H new ATOM 0 HD13 LEU A 64 22.388 11.370 -6.243 1.00 11.33 H new ATOM 0 HD21 LEU A 64 20.991 11.522 -8.985 1.00 22.15 H new ATOM 0 HD22 LEU A 64 22.005 12.825 -8.320 1.00 22.15 H new ATOM 0 HD23 LEU A 64 22.374 12.138 -9.920 1.00 22.15 H new ATOM 677 N LYS A 65 27.205 12.718 -9.022 1.00 52.51 N ATOM 678 CA LYS A 65 28.181 13.780 -8.809 1.00 11.41 C ATOM 679 C LYS A 65 28.345 14.629 -10.066 1.00 25.41 C ATOM 680 O LYS A 65 28.439 15.853 -9.990 1.00 45.34 O ATOM 681 CB LYS A 65 29.531 13.186 -8.402 1.00 20.04 C ATOM 682 CG LYS A 65 29.493 12.440 -7.079 1.00 71.53 C ATOM 683 CD LYS A 65 30.885 12.274 -6.492 1.00 75.11 C ATOM 684 CE LYS A 65 30.965 11.056 -5.584 1.00 0.51 C ATOM 685 NZ LYS A 65 32.243 11.018 -4.820 1.00 71.44 N ATOM 0 H LYS A 65 27.588 11.775 -8.959 1.00 52.51 H new ATOM 0 HA LYS A 65 27.815 14.419 -8.006 1.00 11.41 H new ATOM 0 HB2 LYS A 65 29.870 12.506 -9.184 1.00 20.04 H new ATOM 0 HB3 LYS A 65 30.266 13.988 -8.336 1.00 20.04 H new ATOM 0 HG2 LYS A 65 28.862 12.980 -6.374 1.00 71.53 H new ATOM 0 HG3 LYS A 65 29.040 11.460 -7.226 1.00 71.53 H new ATOM 0 HD2 LYS A 65 31.612 12.176 -7.298 1.00 75.11 H new ATOM 0 HD3 LYS A 65 31.152 13.168 -5.928 1.00 75.11 H new ATOM 0 HE2 LYS A 65 30.126 11.066 -4.888 1.00 0.51 H new ATOM 0 HE3 LYS A 65 30.872 10.150 -6.183 1.00 0.51 H new ATOM 0 HZ1 LYS A 65 32.260 10.174 -4.213 1.00 71.44 H new ATOM 0 HZ2 LYS A 65 33.043 10.983 -5.483 1.00 71.44 H new ATOM 0 HZ3 LYS A 65 32.320 11.871 -4.229 1.00 71.44 H new ATOM 699 N GLN A 66 28.378 13.969 -11.219 1.00 60.03 N ATOM 700 CA GLN A 66 28.530 14.664 -12.492 1.00 63.11 C ATOM 701 C GLN A 66 27.189 15.194 -12.987 1.00 34.10 C ATOM 702 O GLN A 66 27.131 15.990 -13.925 1.00 43.10 O ATOM 703 CB GLN A 66 29.140 13.729 -13.538 1.00 72.21 C ATOM 704 CG GLN A 66 30.660 13.756 -13.566 1.00 75.05 C ATOM 705 CD GLN A 66 31.225 13.387 -14.924 1.00 55.31 C ATOM 706 OE1 GLN A 66 30.480 13.097 -15.861 1.00 22.20 O ATOM 707 NE2 GLN A 66 32.548 13.397 -15.038 1.00 15.35 N ATOM 0 H GLN A 66 28.302 12.955 -11.298 1.00 60.03 H new ATOM 0 HA GLN A 66 29.199 15.510 -12.337 1.00 63.11 H new ATOM 0 HB2 GLN A 66 28.807 12.710 -13.341 1.00 72.21 H new ATOM 0 HB3 GLN A 66 28.762 14.003 -14.523 1.00 72.21 H new ATOM 0 HG2 GLN A 66 31.007 14.752 -13.291 1.00 75.05 H new ATOM 0 HG3 GLN A 66 31.046 13.065 -12.816 1.00 75.05 H new ATOM 0 HE21 GLN A 66 33.127 13.644 -14.235 1.00 15.35 H new ATOM 0 HE22 GLN A 66 32.985 13.158 -15.928 1.00 15.35 H new ATOM 716 N LEU A 67 26.111 14.747 -12.351 1.00 40.32 N ATOM 717 CA LEU A 67 24.768 15.176 -12.727 1.00 3.41 C ATOM 718 C LEU A 67 24.526 16.626 -12.319 1.00 33.13 C ATOM 719 O LEU A 67 23.669 17.305 -12.882 1.00 53.13 O ATOM 720 CB LEU A 67 23.721 14.270 -12.078 1.00 24.45 C ATOM 721 CG LEU A 67 22.873 13.431 -13.034 1.00 43.15 C ATOM 722 CD1 LEU A 67 21.836 12.629 -12.265 1.00 31.42 C ATOM 723 CD2 LEU A 67 22.201 14.320 -14.070 1.00 43.54 C ATOM 0 H LEU A 67 26.141 14.088 -11.573 1.00 40.32 H new ATOM 0 HA LEU A 67 24.680 15.103 -13.811 1.00 3.41 H new ATOM 0 HB2 LEU A 67 24.230 13.596 -11.389 1.00 24.45 H new ATOM 0 HB3 LEU A 67 23.053 14.891 -11.481 1.00 24.45 H new ATOM 0 HG LEU A 67 23.529 12.733 -13.553 1.00 43.15 H new ATOM 0 HD11 LEU A 67 21.242 12.038 -12.963 1.00 31.42 H new ATOM 0 HD12 LEU A 67 22.338 11.964 -11.562 1.00 31.42 H new ATOM 0 HD13 LEU A 67 21.183 13.309 -11.718 1.00 31.42 H new ATOM 0 HD21 LEU A 67 21.601 13.706 -14.742 1.00 43.54 H new ATOM 0 HD22 LEU A 67 21.558 15.042 -13.567 1.00 43.54 H new ATOM 0 HD23 LEU A 67 22.962 14.849 -14.644 1.00 43.54 H new ATOM 735 N GLY A 68 25.289 17.094 -11.336 1.00 14.35 N ATOM 736 CA GLY A 68 25.143 18.461 -10.870 1.00 54.01 C ATOM 737 C GLY A 68 24.849 18.540 -9.385 1.00 24.50 C ATOM 738 O GLY A 68 24.429 19.582 -8.883 1.00 54.30 O ATOM 0 H GLY A 68 26.006 16.551 -10.854 1.00 14.35 H new ATOM 0 HA2 GLY A 68 26.057 19.015 -11.086 1.00 54.01 H new ATOM 0 HA3 GLY A 68 24.338 18.946 -11.423 1.00 54.01 H new ATOM 742 N ILE A 69 25.070 17.435 -8.681 1.00 21.43 N ATOM 743 CA ILE A 69 24.826 17.383 -7.245 1.00 0.24 C ATOM 744 C ILE A 69 26.134 17.427 -6.463 1.00 25.23 C ATOM 745 O ILE A 69 26.856 16.432 -6.383 1.00 55.34 O ATOM 746 CB ILE A 69 24.048 16.114 -6.851 1.00 31.30 C ATOM 747 CG1 ILE A 69 22.808 15.955 -7.734 1.00 22.24 C ATOM 748 CG2 ILE A 69 23.656 16.167 -5.382 1.00 54.20 C ATOM 749 CD1 ILE A 69 21.985 14.729 -7.404 1.00 40.32 C ATOM 0 H ILE A 69 25.418 16.564 -9.082 1.00 21.43 H new ATOM 0 HA ILE A 69 24.227 18.259 -6.996 1.00 0.24 H new ATOM 0 HB ILE A 69 24.693 15.248 -7.003 1.00 31.30 H new ATOM 0 HG12 ILE A 69 22.182 16.841 -7.631 1.00 22.24 H new ATOM 0 HG13 ILE A 69 23.119 15.904 -8.777 1.00 22.24 H new ATOM 0 HG21 ILE A 69 23.107 15.263 -5.119 1.00 54.20 H new ATOM 0 HG22 ILE A 69 24.554 16.238 -4.768 1.00 54.20 H new ATOM 0 HG23 ILE A 69 23.026 17.039 -5.205 1.00 54.20 H new ATOM 0 HD11 ILE A 69 21.122 14.680 -8.069 1.00 40.32 H new ATOM 0 HD12 ILE A 69 22.595 13.835 -7.535 1.00 40.32 H new ATOM 0 HD13 ILE A 69 21.644 14.787 -6.370 1.00 40.32 H new ATOM 761 N SER A 70 26.434 18.586 -5.885 1.00 60.21 N ATOM 762 CA SER A 70 27.657 18.760 -5.110 1.00 50.33 C ATOM 763 C SER A 70 27.336 19.091 -3.656 1.00 21.32 C ATOM 764 O SER A 70 28.155 19.673 -2.945 1.00 55.31 O ATOM 765 CB SER A 70 28.518 19.869 -5.719 1.00 73.11 C ATOM 766 OG SER A 70 29.868 19.457 -5.841 1.00 2.31 O ATOM 0 H SER A 70 25.847 19.418 -5.939 1.00 60.21 H new ATOM 0 HA SER A 70 28.212 17.822 -5.137 1.00 50.33 H new ATOM 0 HB2 SER A 70 28.127 20.140 -6.700 1.00 73.11 H new ATOM 0 HB3 SER A 70 28.462 20.761 -5.096 1.00 73.11 H new ATOM 0 HG SER A 70 30.397 20.182 -6.234 1.00 2.31 H new ATOM 772 N ALA A 71 26.138 18.714 -3.220 1.00 63.14 N ATOM 773 CA ALA A 71 25.709 18.968 -1.851 1.00 33.31 C ATOM 774 C ALA A 71 26.029 17.782 -0.946 1.00 41.55 C ATOM 775 O ALA A 71 26.134 17.928 0.272 1.00 62.21 O ATOM 776 CB ALA A 71 24.219 19.275 -1.813 1.00 40.15 C ATOM 0 H ALA A 71 25.448 18.232 -3.796 1.00 63.14 H new ATOM 0 HA ALA A 71 26.257 19.834 -1.480 1.00 33.31 H new ATOM 0 HB1 ALA A 71 23.912 19.463 -0.784 1.00 40.15 H new ATOM 0 HB2 ALA A 71 24.014 20.157 -2.419 1.00 40.15 H new ATOM 0 HB3 ALA A 71 23.662 18.425 -2.208 1.00 40.15 H new ATOM 782 N THR A 72 26.183 16.608 -1.550 1.00 31.10 N ATOM 783 CA THR A 72 26.489 15.397 -0.799 1.00 44.10 C ATOM 784 C THR A 72 25.279 14.923 -0.003 1.00 21.22 C ATOM 785 O THR A 72 24.684 13.892 -0.315 1.00 13.35 O ATOM 786 CB THR A 72 27.670 15.618 0.166 1.00 72.03 C ATOM 787 OG1 THR A 72 28.667 16.433 -0.459 1.00 43.34 O ATOM 788 CG2 THR A 72 28.282 14.290 0.584 1.00 23.14 C ATOM 0 H THR A 72 26.101 16.470 -2.557 1.00 31.10 H new ATOM 0 HA THR A 72 26.762 14.634 -1.528 1.00 44.10 H new ATOM 0 HB THR A 72 27.294 16.123 1.056 1.00 72.03 H new ATOM 0 HG1 THR A 72 29.413 16.570 0.161 1.00 43.34 H new ATOM 0 HG21 THR A 72 29.114 14.471 1.265 1.00 23.14 H new ATOM 0 HG22 THR A 72 27.528 13.684 1.085 1.00 23.14 H new ATOM 0 HG23 THR A 72 28.644 13.762 -0.298 1.00 23.14 H new ATOM 796 N GLY A 73 24.919 15.683 1.027 1.00 23.55 N ATOM 797 CA GLY A 73 23.781 15.323 1.852 1.00 15.22 C ATOM 798 C GLY A 73 22.517 15.121 1.040 1.00 51.53 C ATOM 799 O GLY A 73 21.616 14.390 1.451 1.00 14.10 O ATOM 0 H GLY A 73 25.395 16.541 1.305 1.00 23.55 H new ATOM 0 HA2 GLY A 73 24.008 14.408 2.399 1.00 15.22 H new ATOM 0 HA3 GLY A 73 23.612 16.104 2.593 1.00 15.22 H new ATOM 803 N HIS A 74 22.449 15.773 -0.117 1.00 73.32 N ATOM 804 CA HIS A 74 21.285 15.662 -0.989 1.00 52.04 C ATOM 805 C HIS A 74 21.398 14.438 -1.893 1.00 53.13 C ATOM 806 O HIS A 74 20.414 13.737 -2.131 1.00 52.42 O ATOM 807 CB HIS A 74 21.135 16.925 -1.838 1.00 1.11 C ATOM 808 CG HIS A 74 21.038 18.182 -1.029 1.00 71.12 C ATOM 809 ND1 HIS A 74 21.134 19.442 -1.582 1.00 34.33 N ATOM 810 CD2 HIS A 74 20.851 18.368 0.298 1.00 14.24 C ATOM 811 CE1 HIS A 74 21.011 20.348 -0.629 1.00 2.42 C ATOM 812 NE2 HIS A 74 20.838 19.723 0.522 1.00 50.13 N ATOM 0 H HIS A 74 23.186 16.383 -0.472 1.00 73.32 H new ATOM 0 HA HIS A 74 20.401 15.548 -0.361 1.00 52.04 H new ATOM 0 HB2 HIS A 74 21.987 17.002 -2.514 1.00 1.11 H new ATOM 0 HB3 HIS A 74 20.244 16.832 -2.458 1.00 1.11 H new ATOM 0 HD2 HIS A 74 20.734 17.595 1.043 1.00 14.24 H new ATOM 0 HE1 HIS A 74 21.046 21.419 -0.767 1.00 2.42 H new ATOM 0 HE2 HIS A 74 20.715 20.173 1.429 1.00 50.13 H new ATOM 820 N ARG A 75 22.603 14.188 -2.394 1.00 71.34 N ATOM 821 CA ARG A 75 22.843 13.050 -3.274 1.00 24.24 C ATOM 822 C ARG A 75 22.443 11.744 -2.594 1.00 73.42 C ATOM 823 O ARG A 75 21.676 10.954 -3.146 1.00 31.13 O ATOM 824 CB ARG A 75 24.317 12.995 -3.680 1.00 23.42 C ATOM 825 CG ARG A 75 24.603 12.010 -4.802 1.00 23.13 C ATOM 826 CD ARG A 75 26.006 12.193 -5.360 1.00 11.41 C ATOM 827 NE ARG A 75 27.025 12.117 -4.316 1.00 73.24 N ATOM 828 CZ ARG A 75 27.503 13.178 -3.677 1.00 43.42 C ATOM 829 NH1 ARG A 75 27.057 14.391 -3.973 1.00 44.43 N ATOM 830 NH2 ARG A 75 28.430 13.028 -2.739 1.00 73.32 N ATOM 0 H ARG A 75 23.428 14.758 -2.206 1.00 71.34 H new ATOM 0 HA ARG A 75 22.231 13.177 -4.167 1.00 24.24 H new ATOM 0 HB2 ARG A 75 24.637 13.990 -3.991 1.00 23.42 H new ATOM 0 HB3 ARG A 75 24.915 12.725 -2.810 1.00 23.42 H new ATOM 0 HG2 ARG A 75 24.488 10.991 -4.432 1.00 23.13 H new ATOM 0 HG3 ARG A 75 23.873 12.144 -5.600 1.00 23.13 H new ATOM 0 HD2 ARG A 75 26.200 11.428 -6.112 1.00 11.41 H new ATOM 0 HD3 ARG A 75 26.073 13.158 -5.862 1.00 11.41 H new ATOM 0 HE ARG A 75 27.389 11.198 -4.064 1.00 73.24 H new ATOM 0 HH11 ARG A 75 26.345 14.511 -4.693 1.00 44.43 H new ATOM 0 HH12 ARG A 75 27.426 15.204 -3.480 1.00 44.43 H new ATOM 0 HH21 ARG A 75 28.776 12.097 -2.508 1.00 73.32 H new ATOM 0 HH22 ARG A 75 28.796 13.844 -2.249 1.00 73.32 H new ATOM 844 N LYS A 76 22.967 11.522 -1.394 1.00 1.14 N ATOM 845 CA LYS A 76 22.665 10.313 -0.637 1.00 74.33 C ATOM 846 C LYS A 76 21.199 10.286 -0.217 1.00 14.52 C ATOM 847 O LYS A 76 20.671 9.241 0.164 1.00 41.31 O ATOM 848 CB LYS A 76 23.562 10.221 0.599 1.00 45.54 C ATOM 849 CG LYS A 76 25.046 10.279 0.278 1.00 20.22 C ATOM 850 CD LYS A 76 25.875 10.556 1.521 1.00 33.33 C ATOM 851 CE LYS A 76 25.776 9.415 2.522 1.00 22.14 C ATOM 852 NZ LYS A 76 27.105 8.802 2.797 1.00 62.51 N ATOM 0 H LYS A 76 23.604 12.165 -0.924 1.00 1.14 H new ATOM 0 HA LYS A 76 22.857 9.455 -1.281 1.00 74.33 H new ATOM 0 HB2 LYS A 76 23.314 11.035 1.279 1.00 45.54 H new ATOM 0 HB3 LYS A 76 23.348 9.290 1.124 1.00 45.54 H new ATOM 0 HG2 LYS A 76 25.360 9.335 -0.167 1.00 20.22 H new ATOM 0 HG3 LYS A 76 25.229 11.057 -0.463 1.00 20.22 H new ATOM 0 HD2 LYS A 76 26.917 10.705 1.239 1.00 33.33 H new ATOM 0 HD3 LYS A 76 25.536 11.481 1.987 1.00 33.33 H new ATOM 0 HE2 LYS A 76 25.347 9.785 3.453 1.00 22.14 H new ATOM 0 HE3 LYS A 76 25.097 8.653 2.139 1.00 22.14 H new ATOM 0 HZ1 LYS A 76 26.995 8.029 3.484 1.00 62.51 H new ATOM 0 HZ2 LYS A 76 27.504 8.426 1.913 1.00 62.51 H new ATOM 0 HZ3 LYS A 76 27.746 9.523 3.187 1.00 62.51 H new ATOM 866 N ARG A 77 20.546 11.442 -0.289 1.00 60.14 N ATOM 867 CA ARG A 77 19.141 11.551 0.084 1.00 71.54 C ATOM 868 C ARG A 77 18.240 11.038 -1.036 1.00 51.33 C ATOM 869 O ARG A 77 17.078 10.702 -0.807 1.00 13.35 O ATOM 870 CB ARG A 77 18.789 13.003 0.412 1.00 61.33 C ATOM 871 CG ARG A 77 17.442 13.163 1.098 1.00 42.03 C ATOM 872 CD ARG A 77 17.159 14.618 1.436 1.00 51.33 C ATOM 873 NE ARG A 77 16.133 14.751 2.467 1.00 41.13 N ATOM 874 CZ ARG A 77 16.356 14.530 3.758 1.00 53.54 C ATOM 875 NH1 ARG A 77 17.562 14.169 4.173 1.00 35.34 N ATOM 876 NH2 ARG A 77 15.371 14.672 4.636 1.00 51.24 N ATOM 0 H ARG A 77 20.968 12.316 -0.602 1.00 60.14 H new ATOM 0 HA ARG A 77 18.977 10.936 0.969 1.00 71.54 H new ATOM 0 HB2 ARG A 77 19.566 13.420 1.053 1.00 61.33 H new ATOM 0 HB3 ARG A 77 18.789 13.585 -0.510 1.00 61.33 H new ATOM 0 HG2 ARG A 77 16.654 12.779 0.450 1.00 42.03 H new ATOM 0 HG3 ARG A 77 17.424 12.566 2.010 1.00 42.03 H new ATOM 0 HD2 ARG A 77 18.078 15.097 1.775 1.00 51.33 H new ATOM 0 HD3 ARG A 77 16.839 15.144 0.536 1.00 51.33 H new ATOM 0 HE ARG A 77 15.194 15.029 2.180 1.00 41.13 H new ATOM 0 HH11 ARG A 77 18.321 14.060 3.501 1.00 35.34 H new ATOM 0 HH12 ARG A 77 17.731 14.000 5.165 1.00 35.34 H new ATOM 0 HH21 ARG A 77 14.442 14.951 4.320 1.00 51.24 H new ATOM 0 HH22 ARG A 77 15.543 14.502 5.627 1.00 51.24 H new ATOM 890 N ILE A 78 18.784 10.982 -2.247 1.00 51.02 N ATOM 891 CA ILE A 78 18.030 10.510 -3.402 1.00 15.41 C ATOM 892 C ILE A 78 18.217 9.011 -3.606 1.00 34.24 C ATOM 893 O ILE A 78 17.245 8.256 -3.670 1.00 23.10 O ATOM 894 CB ILE A 78 18.448 11.248 -4.687 1.00 64.14 C ATOM 895 CG1 ILE A 78 18.112 12.737 -4.580 1.00 24.22 C ATOM 896 CG2 ILE A 78 17.765 10.631 -5.898 1.00 54.35 C ATOM 897 CD1 ILE A 78 19.306 13.642 -4.787 1.00 43.24 C ATOM 0 H ILE A 78 19.744 11.258 -2.454 1.00 51.02 H new ATOM 0 HA ILE A 78 16.979 10.718 -3.199 1.00 15.41 H new ATOM 0 HB ILE A 78 19.526 11.147 -4.811 1.00 64.14 H new ATOM 0 HG12 ILE A 78 17.348 12.983 -5.317 1.00 24.22 H new ATOM 0 HG13 ILE A 78 17.682 12.935 -3.598 1.00 24.22 H new ATOM 0 HG21 ILE A 78 18.070 11.164 -6.799 1.00 54.35 H new ATOM 0 HG22 ILE A 78 18.051 9.582 -5.982 1.00 54.35 H new ATOM 0 HG23 ILE A 78 16.684 10.704 -5.782 1.00 54.35 H new ATOM 0 HD11 ILE A 78 18.994 14.682 -4.697 1.00 43.24 H new ATOM 0 HD12 ILE A 78 20.063 13.424 -4.034 1.00 43.24 H new ATOM 0 HD13 ILE A 78 19.723 13.473 -5.780 1.00 43.24 H new ATOM 909 N LEU A 79 19.471 8.585 -3.705 1.00 31.14 N ATOM 910 CA LEU A 79 19.787 7.174 -3.899 1.00 73.01 C ATOM 911 C LEU A 79 19.145 6.318 -2.812 1.00 25.42 C ATOM 912 O LEU A 79 18.692 5.203 -3.072 1.00 63.04 O ATOM 913 CB LEU A 79 21.302 6.966 -3.901 1.00 21.23 C ATOM 914 CG LEU A 79 22.039 7.407 -5.166 1.00 11.02 C ATOM 915 CD1 LEU A 79 23.444 7.880 -4.828 1.00 0.44 C ATOM 916 CD2 LEU A 79 22.086 6.272 -6.179 1.00 13.51 C ATOM 0 H LEU A 79 20.286 9.196 -3.654 1.00 31.14 H new ATOM 0 HA LEU A 79 19.384 6.866 -4.863 1.00 73.01 H new ATOM 0 HB2 LEU A 79 21.724 7.505 -3.053 1.00 21.23 H new ATOM 0 HB3 LEU A 79 21.503 5.907 -3.738 1.00 21.23 H new ATOM 0 HG LEU A 79 21.494 8.241 -5.609 1.00 11.02 H new ATOM 0 HD11 LEU A 79 23.953 8.190 -5.741 1.00 0.44 H new ATOM 0 HD12 LEU A 79 23.388 8.723 -4.140 1.00 0.44 H new ATOM 0 HD13 LEU A 79 23.999 7.067 -4.361 1.00 0.44 H new ATOM 0 HD21 LEU A 79 22.614 6.604 -7.073 1.00 13.51 H new ATOM 0 HD22 LEU A 79 22.607 5.419 -5.745 1.00 13.51 H new ATOM 0 HD23 LEU A 79 21.070 5.980 -6.445 1.00 13.51 H new ATOM 928 N ARG A 80 19.109 6.847 -1.593 1.00 61.04 N ATOM 929 CA ARG A 80 18.522 6.132 -0.467 1.00 23.43 C ATOM 930 C ARG A 80 17.043 5.850 -0.712 1.00 52.24 C ATOM 931 O ARG A 80 16.459 4.958 -0.096 1.00 72.33 O ATOM 932 CB ARG A 80 18.692 6.939 0.822 1.00 72.14 C ATOM 933 CG ARG A 80 17.776 8.149 0.907 1.00 44.33 C ATOM 934 CD ARG A 80 17.912 8.857 2.246 1.00 43.44 C ATOM 935 NE ARG A 80 16.806 9.779 2.492 1.00 23.22 N ATOM 936 CZ ARG A 80 15.567 9.384 2.761 1.00 72.21 C ATOM 937 NH1 ARG A 80 15.277 8.091 2.818 1.00 51.32 N ATOM 938 NH2 ARG A 80 14.614 10.283 2.974 1.00 63.31 N ATOM 0 H ARG A 80 19.480 7.768 -1.361 1.00 61.04 H new ATOM 0 HA ARG A 80 19.043 5.180 -0.363 1.00 23.43 H new ATOM 0 HB2 ARG A 80 18.501 6.289 1.676 1.00 72.14 H new ATOM 0 HB3 ARG A 80 19.727 7.271 0.899 1.00 72.14 H new ATOM 0 HG2 ARG A 80 18.013 8.844 0.101 1.00 44.33 H new ATOM 0 HG3 ARG A 80 16.742 7.835 0.763 1.00 44.33 H new ATOM 0 HD2 ARG A 80 17.952 8.117 3.045 1.00 43.44 H new ATOM 0 HD3 ARG A 80 18.854 9.405 2.272 1.00 43.44 H new ATOM 0 HE ARG A 80 16.996 10.781 2.455 1.00 23.22 H new ATOM 0 HH11 ARG A 80 16.007 7.397 2.655 1.00 51.32 H new ATOM 0 HH12 ARG A 80 14.324 7.791 3.025 1.00 51.32 H new ATOM 0 HH21 ARG A 80 14.833 11.278 2.931 1.00 63.31 H new ATOM 0 HH22 ARG A 80 13.663 9.979 3.181 1.00 63.31 H new ATOM 952 N LEU A 81 16.442 6.617 -1.616 1.00 3.34 N ATOM 953 CA LEU A 81 15.030 6.451 -1.943 1.00 4.30 C ATOM 954 C LEU A 81 14.857 5.563 -3.171 1.00 32.03 C ATOM 955 O LEU A 81 13.873 4.830 -3.286 1.00 44.31 O ATOM 956 CB LEU A 81 14.380 7.814 -2.189 1.00 61.12 C ATOM 957 CG LEU A 81 12.863 7.809 -2.377 1.00 14.32 C ATOM 958 CD1 LEU A 81 12.162 8.139 -1.068 1.00 0.12 C ATOM 959 CD2 LEU A 81 12.457 8.794 -3.464 1.00 34.31 C ATOM 0 H LEU A 81 16.911 7.360 -2.135 1.00 3.34 H new ATOM 0 HA LEU A 81 14.540 5.969 -1.097 1.00 4.30 H new ATOM 0 HB2 LEU A 81 14.620 8.466 -1.349 1.00 61.12 H new ATOM 0 HB3 LEU A 81 14.835 8.256 -3.075 1.00 61.12 H new ATOM 0 HG LEU A 81 12.558 6.810 -2.687 1.00 14.32 H new ATOM 0 HD11 LEU A 81 11.083 8.131 -1.221 1.00 0.12 H new ATOM 0 HD12 LEU A 81 12.427 7.396 -0.316 1.00 0.12 H new ATOM 0 HD13 LEU A 81 12.473 9.127 -0.728 1.00 0.12 H new ATOM 0 HD21 LEU A 81 11.374 8.777 -3.584 1.00 34.31 H new ATOM 0 HD22 LEU A 81 12.775 9.798 -3.183 1.00 34.31 H new ATOM 0 HD23 LEU A 81 12.931 8.513 -4.405 1.00 34.31 H new ATOM 971 N LEU A 82 15.819 5.631 -4.084 1.00 54.14 N ATOM 972 CA LEU A 82 15.774 4.831 -5.303 1.00 51.15 C ATOM 973 C LEU A 82 15.753 3.341 -4.977 1.00 1.34 C ATOM 974 O LEU A 82 15.067 2.561 -5.637 1.00 45.51 O ATOM 975 CB LEU A 82 16.976 5.153 -6.193 1.00 23.04 C ATOM 976 CG LEU A 82 16.722 5.127 -7.700 1.00 42.22 C ATOM 977 CD1 LEU A 82 17.973 5.540 -8.460 1.00 5.24 C ATOM 978 CD2 LEU A 82 16.261 3.745 -8.140 1.00 0.32 C ATOM 0 H LEU A 82 16.640 6.232 -4.004 1.00 54.14 H new ATOM 0 HA LEU A 82 14.857 5.080 -5.837 1.00 51.15 H new ATOM 0 HB2 LEU A 82 17.347 6.142 -5.924 1.00 23.04 H new ATOM 0 HB3 LEU A 82 17.771 4.442 -5.967 1.00 23.04 H new ATOM 0 HG LEU A 82 15.931 5.842 -7.927 1.00 42.22 H new ATOM 0 HD11 LEU A 82 17.773 5.515 -9.531 1.00 5.24 H new ATOM 0 HD12 LEU A 82 18.260 6.550 -8.168 1.00 5.24 H new ATOM 0 HD13 LEU A 82 18.785 4.851 -8.227 1.00 5.24 H new ATOM 0 HD21 LEU A 82 16.085 3.746 -9.216 1.00 0.32 H new ATOM 0 HD22 LEU A 82 17.030 3.011 -7.898 1.00 0.32 H new ATOM 0 HD23 LEU A 82 15.338 3.487 -7.621 1.00 0.32 H new ATOM 990 N GLN A 83 16.507 2.955 -3.953 1.00 30.25 N ATOM 991 CA GLN A 83 16.573 1.559 -3.538 1.00 23.45 C ATOM 992 C GLN A 83 15.218 1.076 -3.031 1.00 50.21 C ATOM 993 O GLN A 83 14.724 0.028 -3.448 1.00 51.12 O ATOM 994 CB GLN A 83 17.632 1.378 -2.448 1.00 52.11 C ATOM 995 CG GLN A 83 19.033 1.153 -2.993 1.00 21.23 C ATOM 996 CD GLN A 83 20.078 1.988 -2.279 1.00 53.23 C ATOM 997 OE1 GLN A 83 19.929 2.316 -1.102 1.00 21.14 O ATOM 998 NE2 GLN A 83 21.143 2.338 -2.990 1.00 63.24 N ATOM 0 H GLN A 83 17.080 3.589 -3.396 1.00 30.25 H new ATOM 0 HA GLN A 83 16.849 0.962 -4.407 1.00 23.45 H new ATOM 0 HB2 GLN A 83 17.637 2.260 -1.808 1.00 52.11 H new ATOM 0 HB3 GLN A 83 17.355 0.531 -1.821 1.00 52.11 H new ATOM 0 HG2 GLN A 83 19.290 0.098 -2.899 1.00 21.23 H new ATOM 0 HG3 GLN A 83 19.048 1.391 -4.057 1.00 21.23 H new ATOM 0 HE21 GLN A 83 21.226 2.044 -3.963 1.00 63.24 H new ATOM 0 HE22 GLN A 83 21.879 2.901 -2.563 1.00 63.24 H new ATOM 1007 N THR A 84 14.620 1.848 -2.128 1.00 62.34 N ATOM 1008 CA THR A 84 13.323 1.499 -1.564 1.00 32.34 C ATOM 1009 C THR A 84 13.232 0.004 -1.276 1.00 43.41 C ATOM 1010 O THR A 84 12.192 -0.617 -1.490 1.00 64.02 O ATOM 1011 CB THR A 84 12.173 1.899 -2.508 1.00 22.24 C ATOM 1012 OG1 THR A 84 10.912 1.624 -1.887 1.00 40.54 O ATOM 1013 CG2 THR A 84 12.270 1.147 -3.827 1.00 14.14 C ATOM 0 H THR A 84 15.014 2.719 -1.772 1.00 62.34 H new ATOM 0 HA THR A 84 13.226 2.053 -0.630 1.00 32.34 H new ATOM 0 HB THR A 84 12.252 2.967 -2.711 1.00 22.24 H new ATOM 0 HG1 THR A 84 10.919 0.715 -1.521 1.00 40.54 H new ATOM 0 HG21 THR A 84 11.448 1.446 -4.477 1.00 14.14 H new ATOM 0 HG22 THR A 84 13.218 1.381 -4.310 1.00 14.14 H new ATOM 0 HG23 THR A 84 12.213 0.075 -3.640 1.00 14.14 H new ATOM 1021 N GLY A 85 14.329 -0.567 -0.789 1.00 23.45 N ATOM 1022 CA GLY A 85 14.352 -1.985 -0.479 1.00 31.01 C ATOM 1023 C GLY A 85 15.415 -2.339 0.543 1.00 54.54 C ATOM 1024 O GLY A 85 15.145 -3.051 1.511 1.00 54.55 O ATOM 0 H GLY A 85 15.202 -0.073 -0.604 1.00 23.45 H new ATOM 0 HA2 GLY A 85 13.375 -2.287 -0.102 1.00 31.01 H new ATOM 0 HA3 GLY A 85 14.529 -2.551 -1.394 1.00 31.01 H new ATOM 1028 N THR A 86 16.629 -1.841 0.328 1.00 72.54 N ATOM 1029 CA THR A 86 17.737 -2.111 1.235 1.00 33.02 C ATOM 1030 C THR A 86 17.426 -1.617 2.644 1.00 64.14 C ATOM 1031 O THR A 86 17.947 -2.147 3.625 1.00 54.40 O ATOM 1032 CB THR A 86 19.038 -1.448 0.746 1.00 51.41 C ATOM 1033 OG1 THR A 86 18.870 -0.027 0.682 1.00 75.12 O ATOM 1034 CG2 THR A 86 19.434 -1.979 -0.623 1.00 43.34 C ATOM 0 H THR A 86 16.869 -1.248 -0.467 1.00 72.54 H new ATOM 0 HA THR A 86 17.874 -3.192 1.254 1.00 33.02 H new ATOM 0 HB THR A 86 19.831 -1.688 1.455 1.00 51.41 H new ATOM 0 HG1 THR A 86 19.429 0.336 -0.036 1.00 75.12 H new ATOM 0 HG21 THR A 86 20.356 -1.496 -0.948 1.00 43.34 H new ATOM 0 HG22 THR A 86 19.590 -3.056 -0.564 1.00 43.34 H new ATOM 0 HG23 THR A 86 18.641 -1.766 -1.339 1.00 43.34 H new ATOM 1042 N GLU A 87 16.575 -0.600 2.735 1.00 20.10 N ATOM 1043 CA GLU A 87 16.196 -0.036 4.025 1.00 42.50 C ATOM 1044 C GLU A 87 14.678 0.022 4.169 1.00 21.11 C ATOM 1045 O GLU A 87 14.140 0.921 4.813 1.00 13.42 O ATOM 1046 CB GLU A 87 16.788 1.366 4.187 1.00 42.12 C ATOM 1047 CG GLU A 87 16.347 2.341 3.109 1.00 41.45 C ATOM 1048 CD GLU A 87 16.278 3.771 3.608 1.00 11.42 C ATOM 1049 OE1 GLU A 87 16.830 4.047 4.694 1.00 43.21 O ATOM 1050 OE2 GLU A 87 15.672 4.614 2.914 1.00 13.35 O ATOM 0 H GLU A 87 16.135 -0.150 1.932 1.00 20.10 H new ATOM 0 HA GLU A 87 16.593 -0.684 4.807 1.00 42.50 H new ATOM 0 HB2 GLU A 87 16.502 1.761 5.162 1.00 42.12 H new ATOM 0 HB3 GLU A 87 17.876 1.295 4.178 1.00 42.12 H new ATOM 0 HG2 GLU A 87 17.040 2.286 2.269 1.00 41.45 H new ATOM 0 HG3 GLU A 87 15.368 2.043 2.734 1.00 41.45 H new ATOM 1057 N GLU A 88 13.995 -0.945 3.564 1.00 41.33 N ATOM 1058 CA GLU A 88 12.539 -1.003 3.624 1.00 63.15 C ATOM 1059 C GLU A 88 12.050 -0.921 5.067 1.00 63.33 C ATOM 1060 O GLU A 88 12.392 -1.762 5.898 1.00 51.41 O ATOM 1061 CB GLU A 88 12.031 -2.292 2.974 1.00 43.24 C ATOM 1062 CG GLU A 88 10.581 -2.217 2.527 1.00 71.42 C ATOM 1063 CD GLU A 88 9.718 -3.288 3.165 1.00 21.34 C ATOM 1064 OE1 GLU A 88 9.331 -3.115 4.340 1.00 25.24 O ATOM 1065 OE2 GLU A 88 9.430 -4.299 2.491 1.00 13.02 O ATOM 0 H GLU A 88 14.426 -1.698 3.027 1.00 41.33 H new ATOM 0 HA GLU A 88 12.144 -0.148 3.076 1.00 63.15 H new ATOM 0 HB2 GLU A 88 12.656 -2.526 2.112 1.00 43.24 H new ATOM 0 HB3 GLU A 88 12.143 -3.114 3.681 1.00 43.24 H new ATOM 0 HG2 GLU A 88 10.178 -1.235 2.776 1.00 71.42 H new ATOM 0 HG3 GLU A 88 10.533 -2.316 1.443 1.00 71.42 H new ATOM 1072 N GLY A 89 11.248 0.099 5.357 1.00 61.41 N ATOM 1073 CA GLY A 89 10.725 0.273 6.699 1.00 24.35 C ATOM 1074 C GLY A 89 11.457 1.353 7.471 1.00 41.11 C ATOM 1075 O GLY A 89 12.649 1.576 7.261 1.00 24.32 O ATOM 0 H GLY A 89 10.951 0.808 4.686 1.00 61.41 H new ATOM 0 HA2 GLY A 89 9.666 0.525 6.643 1.00 24.35 H new ATOM 0 HA3 GLY A 89 10.800 -0.670 7.240 1.00 24.35 H new ATOM 1079 N SER A 90 10.741 2.027 8.365 1.00 3.51 N ATOM 1080 CA SER A 90 11.329 3.095 9.167 1.00 74.43 C ATOM 1081 C SER A 90 11.327 2.726 10.647 1.00 33.11 C ATOM 1082 O SER A 90 10.813 3.470 11.484 1.00 71.13 O ATOM 1083 CB SER A 90 10.563 4.402 8.954 1.00 74.30 C ATOM 1084 OG SER A 90 11.273 5.503 9.494 1.00 34.32 O ATOM 0 H SER A 90 9.754 1.853 8.553 1.00 3.51 H new ATOM 0 HA SER A 90 12.362 3.231 8.846 1.00 74.43 H new ATOM 0 HB2 SER A 90 10.396 4.560 7.888 1.00 74.30 H new ATOM 0 HB3 SER A 90 9.582 4.333 9.423 1.00 74.30 H new ATOM 0 HG SER A 90 11.347 5.400 10.466 1.00 34.32 H new ATOM 1090 N LEU A 91 11.905 1.573 10.964 1.00 72.53 N ATOM 1091 CA LEU A 91 11.971 1.103 12.343 1.00 12.13 C ATOM 1092 C LEU A 91 13.417 1.012 12.819 1.00 63.02 C ATOM 1093 O LEU A 91 13.844 -0.015 13.346 1.00 23.40 O ATOM 1094 CB LEU A 91 11.293 -0.262 12.471 1.00 20.31 C ATOM 1095 CG LEU A 91 11.729 -1.325 11.462 1.00 22.32 C ATOM 1096 CD1 LEU A 91 11.800 -2.693 12.124 1.00 12.43 C ATOM 1097 CD2 LEU A 91 10.779 -1.354 10.274 1.00 70.51 C ATOM 0 H LEU A 91 12.335 0.946 10.284 1.00 72.53 H new ATOM 0 HA LEU A 91 11.446 1.823 12.971 1.00 12.13 H new ATOM 0 HB2 LEU A 91 11.478 -0.645 13.475 1.00 20.31 H new ATOM 0 HB3 LEU A 91 10.216 -0.121 12.377 1.00 20.31 H new ATOM 0 HG LEU A 91 12.724 -1.068 11.100 1.00 22.32 H new ATOM 0 HD11 LEU A 91 12.112 -3.436 11.390 1.00 12.43 H new ATOM 0 HD12 LEU A 91 12.521 -2.665 12.941 1.00 12.43 H new ATOM 0 HD13 LEU A 91 10.818 -2.959 12.515 1.00 12.43 H new ATOM 0 HD21 LEU A 91 11.105 -2.116 9.566 1.00 70.51 H new ATOM 0 HD22 LEU A 91 9.772 -1.586 10.619 1.00 70.51 H new ATOM 0 HD23 LEU A 91 10.779 -0.380 9.784 1.00 70.51 H new ATOM 1109 N ASP A 92 14.165 2.093 12.631 1.00 44.41 N ATOM 1110 CA ASP A 92 15.563 2.137 13.044 1.00 45.24 C ATOM 1111 C ASP A 92 15.811 3.297 14.004 1.00 74.43 C ATOM 1112 O ASP A 92 15.039 4.254 14.072 1.00 62.34 O ATOM 1113 CB ASP A 92 16.474 2.268 11.822 1.00 62.52 C ATOM 1114 CG ASP A 92 15.842 3.085 10.713 1.00 53.12 C ATOM 1115 OD1 ASP A 92 15.201 4.111 11.023 1.00 14.12 O ATOM 1116 OD2 ASP A 92 15.989 2.699 9.534 1.00 14.43 O ATOM 0 H ASP A 92 13.827 2.951 12.195 1.00 44.41 H new ATOM 0 HA ASP A 92 15.792 1.205 13.561 1.00 45.24 H new ATOM 0 HB2 ASP A 92 17.414 2.733 12.121 1.00 62.52 H new ATOM 0 HB3 ASP A 92 16.716 1.274 11.445 1.00 62.52 H new ATOM 1121 N PRO A 93 16.911 3.210 14.765 1.00 2.24 N ATOM 1122 CA PRO A 93 17.285 4.243 15.736 1.00 2.11 C ATOM 1123 C PRO A 93 17.733 5.536 15.063 1.00 23.02 C ATOM 1124 O PRO A 93 17.763 5.632 13.836 1.00 22.40 O ATOM 1125 CB PRO A 93 18.449 3.607 16.500 1.00 31.14 C ATOM 1126 CG PRO A 93 19.029 2.616 15.551 1.00 1.20 C ATOM 1127 CD PRO A 93 17.876 2.098 14.737 1.00 32.12 C ATOM 0 HA PRO A 93 16.446 4.529 16.371 1.00 2.11 H new ATOM 0 HB2 PRO A 93 19.187 4.355 16.791 1.00 31.14 H new ATOM 0 HB3 PRO A 93 18.105 3.125 17.415 1.00 31.14 H new ATOM 0 HG2 PRO A 93 19.780 3.081 14.912 1.00 1.20 H new ATOM 0 HG3 PRO A 93 19.524 1.806 16.087 1.00 1.20 H new ATOM 0 HD2 PRO A 93 18.180 1.855 13.719 1.00 32.12 H new ATOM 0 HD3 PRO A 93 17.455 1.190 15.169 1.00 32.12 H new ATOM 1135 N LYS A 94 18.082 6.529 15.874 1.00 52.42 N ATOM 1136 CA LYS A 94 18.531 7.817 15.358 1.00 55.14 C ATOM 1137 C LYS A 94 19.431 8.524 16.366 1.00 61.51 C ATOM 1138 O LYS A 94 19.432 9.751 16.459 1.00 74.02 O ATOM 1139 CB LYS A 94 17.328 8.703 15.023 1.00 21.15 C ATOM 1140 CG LYS A 94 17.597 9.699 13.909 1.00 64.23 C ATOM 1141 CD LYS A 94 16.484 9.693 12.874 1.00 22.55 C ATOM 1142 CE LYS A 94 16.404 11.018 12.134 1.00 44.55 C ATOM 1143 NZ LYS A 94 16.365 10.827 10.657 1.00 4.32 N ATOM 0 H LYS A 94 18.063 6.466 16.892 1.00 52.42 H new ATOM 0 HA LYS A 94 19.106 7.636 14.450 1.00 55.14 H new ATOM 0 HB2 LYS A 94 16.489 8.069 14.737 1.00 21.15 H new ATOM 0 HB3 LYS A 94 17.026 9.246 15.919 1.00 21.15 H new ATOM 0 HG2 LYS A 94 17.698 10.699 14.331 1.00 64.23 H new ATOM 0 HG3 LYS A 94 18.545 9.460 13.427 1.00 64.23 H new ATOM 0 HD2 LYS A 94 16.653 8.886 12.161 1.00 22.55 H new ATOM 0 HD3 LYS A 94 15.531 9.491 13.364 1.00 22.55 H new ATOM 0 HE2 LYS A 94 15.514 11.559 12.454 1.00 44.55 H new ATOM 0 HE3 LYS A 94 17.264 11.634 12.398 1.00 44.55 H new ATOM 0 HZ1 LYS A 94 16.311 11.754 10.188 1.00 4.32 H new ATOM 0 HZ2 LYS A 94 17.226 10.333 10.348 1.00 4.32 H new ATOM 0 HZ3 LYS A 94 15.531 10.261 10.402 1.00 4.32 H new ATOM 1157 N SER A 95 20.198 7.741 17.118 1.00 32.52 N ATOM 1158 CA SER A 95 21.101 8.291 18.121 1.00 5.53 C ATOM 1159 C SER A 95 22.420 8.723 17.486 1.00 12.22 C ATOM 1160 O SER A 95 22.775 9.902 17.507 1.00 72.11 O ATOM 1161 CB SER A 95 21.365 7.261 19.221 1.00 4.53 C ATOM 1162 OG SER A 95 20.336 7.281 20.195 1.00 24.44 O ATOM 0 H SER A 95 20.212 6.723 17.051 1.00 32.52 H new ATOM 0 HA SER A 95 20.625 9.167 18.561 1.00 5.53 H new ATOM 0 HB2 SER A 95 21.436 6.266 18.782 1.00 4.53 H new ATOM 0 HB3 SER A 95 22.324 7.469 19.696 1.00 4.53 H new ATOM 0 HG SER A 95 20.527 6.613 20.886 1.00 24.44 H new ATOM 1168 N ASP A 96 23.141 7.760 16.923 1.00 52.33 N ATOM 1169 CA ASP A 96 24.420 8.039 16.280 1.00 12.31 C ATOM 1170 C ASP A 96 25.308 8.889 17.184 1.00 61.42 C ATOM 1171 O ASP A 96 25.003 9.090 18.359 1.00 21.43 O ATOM 1172 CB ASP A 96 24.199 8.752 14.945 1.00 3.30 C ATOM 1173 CG ASP A 96 22.780 9.263 14.789 1.00 63.43 C ATOM 1174 OD1 ASP A 96 21.879 8.439 14.527 1.00 23.45 O ATOM 1175 OD2 ASP A 96 22.571 10.486 14.927 1.00 51.24 O ATOM 0 H ASP A 96 22.862 6.779 16.899 1.00 52.33 H new ATOM 0 HA ASP A 96 24.922 7.089 16.097 1.00 12.31 H new ATOM 0 HB2 ASP A 96 24.894 9.588 14.863 1.00 3.30 H new ATOM 0 HB3 ASP A 96 24.427 8.067 14.128 1.00 3.30 H new ATOM 1180 N SER A 97 26.409 9.384 16.627 1.00 71.31 N ATOM 1181 CA SER A 97 27.344 10.207 17.384 1.00 44.32 C ATOM 1182 C SER A 97 28.321 10.917 16.451 1.00 22.20 C ATOM 1183 O SER A 97 28.329 12.144 16.360 1.00 43.00 O ATOM 1184 CB SER A 97 28.114 9.349 18.390 1.00 61.05 C ATOM 1185 OG SER A 97 28.584 10.131 19.474 1.00 53.44 O ATOM 0 H SER A 97 26.675 9.229 15.654 1.00 71.31 H new ATOM 0 HA SER A 97 26.771 10.961 17.924 1.00 44.32 H new ATOM 0 HB2 SER A 97 27.468 8.554 18.764 1.00 61.05 H new ATOM 0 HB3 SER A 97 28.956 8.868 17.893 1.00 61.05 H new ATOM 0 HG SER A 97 29.071 9.559 20.103 1.00 53.44 H new ATOM 1191 N ALA A 98 29.144 10.135 15.760 1.00 73.42 N ATOM 1192 CA ALA A 98 30.123 10.686 14.832 1.00 4.43 C ATOM 1193 C ALA A 98 30.597 9.629 13.840 1.00 14.34 C ATOM 1194 O ALA A 98 30.523 9.826 12.628 1.00 70.43 O ATOM 1195 CB ALA A 98 31.306 11.264 15.596 1.00 62.42 C ATOM 0 H ALA A 98 29.152 9.117 15.826 1.00 73.42 H new ATOM 0 HA ALA A 98 29.642 11.485 14.268 1.00 4.43 H new ATOM 0 HB1 ALA A 98 32.030 11.672 14.891 1.00 62.42 H new ATOM 0 HB2 ALA A 98 30.959 12.056 16.259 1.00 62.42 H new ATOM 0 HB3 ALA A 98 31.777 10.478 16.186 1.00 62.42 H new ATOM 1201 N MET A 99 31.083 8.509 14.364 1.00 72.31 N ATOM 1202 CA MET A 99 31.568 7.420 13.523 1.00 13.41 C ATOM 1203 C MET A 99 32.682 7.902 12.599 1.00 11.03 C ATOM 1204 O MET A 99 33.065 9.071 12.632 1.00 23.34 O ATOM 1205 CB MET A 99 30.421 6.836 12.696 1.00 14.23 C ATOM 1206 CG MET A 99 29.579 5.823 13.455 1.00 23.21 C ATOM 1207 SD MET A 99 29.369 4.278 12.550 1.00 73.24 S ATOM 1208 CE MET A 99 27.664 4.425 12.020 1.00 41.50 C ATOM 0 H MET A 99 31.152 8.331 15.366 1.00 72.31 H new ATOM 0 HA MET A 99 31.970 6.643 14.173 1.00 13.41 H new ATOM 0 HB2 MET A 99 29.779 7.648 12.356 1.00 14.23 H new ATOM 0 HB3 MET A 99 30.832 6.360 11.805 1.00 14.23 H new ATOM 0 HG2 MET A 99 30.047 5.615 14.417 1.00 23.21 H new ATOM 0 HG3 MET A 99 28.600 6.254 13.663 1.00 23.21 H new ATOM 0 HE1 MET A 99 27.384 3.542 11.446 1.00 41.50 H new ATOM 0 HE2 MET A 99 27.017 4.510 12.893 1.00 41.50 H new ATOM 0 HE3 MET A 99 27.552 5.313 11.398 1.00 41.50 H new ATOM 1218 N GLU A 100 33.197 6.993 11.777 1.00 40.52 N ATOM 1219 CA GLU A 100 34.268 7.327 10.845 1.00 1.33 C ATOM 1220 C GLU A 100 34.062 6.626 9.506 1.00 43.03 C ATOM 1221 O GLU A 100 34.115 5.400 9.422 1.00 65.43 O ATOM 1222 CB GLU A 100 35.626 6.938 11.434 1.00 72.01 C ATOM 1223 CG GLU A 100 36.791 7.184 10.491 1.00 43.13 C ATOM 1224 CD GLU A 100 36.983 8.654 10.172 1.00 44.11 C ATOM 1225 OE1 GLU A 100 37.285 9.429 11.103 1.00 13.32 O ATOM 1226 OE2 GLU A 100 36.833 9.029 8.990 1.00 35.21 O ATOM 0 H GLU A 100 32.890 6.021 11.737 1.00 40.52 H new ATOM 0 HA GLU A 100 34.248 8.404 10.678 1.00 1.33 H new ATOM 0 HB2 GLU A 100 35.789 7.501 12.353 1.00 72.01 H new ATOM 0 HB3 GLU A 100 35.606 5.883 11.706 1.00 72.01 H new ATOM 0 HG2 GLU A 100 37.704 6.791 10.937 1.00 43.13 H new ATOM 0 HG3 GLU A 100 36.626 6.634 9.565 1.00 43.13 H new TER 1233 GLU A 100