Browse entries in the PDBbind-CN Database
HEADER 4K3H_COMPLEX COMPND 4K3H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 GLN ALA VAL VAL THR GLN GLU PRO SER VAL THR VAL SER SEQRES 2 A 109 PRO GLY GLY THR VAL ILE LEU THR CYS GLY SER SER THR SEQRES 3 A 109 GLY ALA VAL THR SER GLY HIS TYR ALA ASN TRP PHE GLN SEQRES 4 A 109 GLN LYS PRO GLY GLN ALA PRO ARG ALA LEU ILE PHE GLU SEQRES 5 A 109 THR ASP LYS LYS TYR SER TRP THR PRO GLY ARG PHE SER SEQRES 6 A 109 GLY SER LEU LEU GLY ALA LYS ALA ALA LEU THR ILE SER SEQRES 7 A 109 ASP ALA GLN PRO GLU ASP GLU ALA GLU TYR TYR CYS SER SEQRES 8 A 109 LEU SER ASP VAL ASP GLY TYR LEU PHE GLY GLY GLY THR SEQRES 9 A 109 GLN LEU THR VAL LEU SEQRES 1 B 109 GLN ALA VAL VAL THR GLN GLU PRO SER VAL THR VAL SER SEQRES 2 B 109 PRO GLY GLY THR VAL ILE LEU THR CYS GLY SER SER THR SEQRES 3 B 109 GLY ALA VAL THR SER GLY HIS TYR ALA ASN TRP PHE GLN SEQRES 4 B 109 GLN LYS PRO GLY GLN ALA PRO ARG ALA LEU ILE PHE GLU SEQRES 5 B 109 THR ASP LYS LYS TYR SER TRP THR PRO GLY ARG PHE SER SEQRES 6 B 109 GLY SER LEU LEU GLY ALA LYS ALA ALA LEU THR ILE SER SEQRES 7 B 109 ASP ALA GLN PRO GLU ASP GLU ALA GLU TYR TYR CYS SER SEQRES 8 B 109 LEU SER ASP VAL ASP GLY TYR LEU PHE GLY GLY GLY THR SEQRES 9 B 109 GLN LEU THR VAL LEU HET UNN A 276 52 SSBOND 1 CYS A 23 CYS A 88 SSBOND 2 CYS B 23 CYS B 88 ATOM 1 N GLN A 1 -13.018 11.895 14.569 1.00 69.65 N ATOM 2 CA GLN A 1 -11.765 11.773 13.819 1.00 72.00 C ATOM 3 C GLN A 1 -11.973 11.968 12.301 1.00 69.07 C ATOM 4 O GLN A 1 -13.075 11.772 11.780 1.00 72.53 O ATOM 5 CB GLN A 1 -11.093 10.425 14.116 1.00 63.33 C ATOM 6 HA GLN A 1 -11.104 12.573 14.151 1.00 0.00 H ATOM 7 HB2 GLN A 1 -10.878 10.355 15.182 1.00 0.00 H ATOM 8 HB3 GLN A 1 -11.762 9.615 13.825 1.00 0.00 H ATOM 9 HN3 GLN A 1 -13.690 11.173 14.239 1.00 0.00 H ATOM 10 HN2 GLN A 1 -13.421 12.841 14.416 1.00 0.00 H ATOM 11 HN1 GLN A 1 -12.829 11.757 15.582 1.00 0.00 H ATOM 12 N ALA A 2 -10.920 12.355 11.589 1.00 47.43 N ATOM 13 CA ALA A 2 -11.053 12.648 10.164 1.00 51.85 C ATOM 14 C ALA A 2 -10.923 11.399 9.280 1.00 48.57 C ATOM 15 O ALA A 2 -10.040 10.554 9.497 1.00 46.40 O ATOM 16 CB ALA A 2 -10.055 13.719 9.739 1.00 49.10 C ATOM 17 HA ALA A 2 -12.064 13.027 10.017 1.00 0.00 H ATOM 18 HB1 ALA A 2 -10.240 14.632 10.306 1.00 0.00 H ATOM 19 HB2 ALA A 2 -9.042 13.368 9.934 1.00 0.00 H ATOM 20 HB3 ALA A 2 -10.172 13.921 8.674 1.00 0.00 H ATOM 21 H ALA A 2 -9.993 12.450 12.050 1.00 0.00 H ATOM 22 N VAL A 3 -11.813 11.284 8.294 1.00 54.00 N ATOM 23 CA VAL A 3 -11.748 10.186 7.330 1.00 53.16 C ATOM 24 C VAL A 3 -11.920 10.645 5.878 1.00 54.29 C ATOM 25 O VAL A 3 -12.534 11.680 5.590 1.00 52.47 O ATOM 26 CB VAL A 3 -12.796 9.081 7.616 1.00 54.20 C ATOM 27 CG1 VAL A 3 -12.465 8.337 8.909 1.00 56.61 C ATOM 28 CG2 VAL A 3 -14.209 9.671 7.661 1.00 55.15 C ATOM 29 HA VAL A 3 -10.744 9.780 7.455 1.00 0.00 H ATOM 30 HB VAL A 3 -12.761 8.359 6.800 1.00 0.00 H ATOM 31 HG11 VAL A 3 -11.482 7.874 8.819 1.00 0.00 H ATOM 32 HG12 VAL A 3 -12.461 9.041 9.741 1.00 0.00 H ATOM 33 HG13 VAL A 3 -13.216 7.567 9.086 1.00 0.00 H ATOM 34 HG21 VAL A 3 -14.263 10.421 8.450 1.00 0.00 H ATOM 35 HG22 VAL A 3 -14.439 10.134 6.701 1.00 0.00 H ATOM 36 HG23 VAL A 3 -14.927 8.876 7.863 1.00 0.00 H ATOM 37 H VAL A 3 -12.571 11.991 8.208 1.00 0.00 H ATOM 38 N VAL A 4 -11.361 9.852 4.969 1.00 46.23 N ATOM 39 CA VAL A 4 -11.498 10.077 3.549 1.00 40.21 C ATOM 40 C VAL A 4 -12.475 9.043 3.027 1.00 36.99 C ATOM 41 O VAL A 4 -12.333 7.861 3.316 1.00 39.63 O ATOM 42 CB VAL A 4 -10.135 9.935 2.845 1.00 39.93 C ATOM 43 CG1 VAL A 4 -10.307 9.924 1.344 1.00 34.31 C ATOM 44 CG2 VAL A 4 -9.208 11.060 3.297 1.00 38.34 C ATOM 45 HA VAL A 4 -11.861 11.086 3.352 1.00 0.00 H ATOM 46 HB VAL A 4 -9.682 8.983 3.123 1.00 0.00 H ATOM 47 HG11 VAL A 4 -10.941 9.084 1.058 1.00 0.00 H ATOM 48 HG12 VAL A 4 -10.773 10.857 1.026 1.00 0.00 H ATOM 49 HG13 VAL A 4 -9.331 9.823 0.869 1.00 0.00 H ATOM 50 HG21 VAL A 4 -9.652 12.021 3.038 1.00 0.00 H ATOM 51 HG22 VAL A 4 -9.068 11.002 4.376 1.00 0.00 H ATOM 52 HG23 VAL A 4 -8.244 10.958 2.798 1.00 0.00 H ATOM 53 H VAL A 4 -10.803 9.037 5.294 1.00 0.00 H ATOM 54 N THR A 5 -13.467 9.486 2.270 1.00 40.23 N ATOM 55 CA THR A 5 -14.577 8.615 1.901 1.00 47.87 C ATOM 56 C THR A 5 -14.681 8.432 0.392 1.00 42.71 C ATOM 57 O THR A 5 -14.747 9.404 -0.348 1.00 41.60 O ATOM 58 CB THR A 5 -15.931 9.200 2.387 1.00 48.22 C ATOM 59 OG1 THR A 5 -16.230 10.382 1.623 1.00 48.65 O ATOM 60 CG2 THR A 5 -15.881 9.548 3.876 1.00 44.86 C ATOM 61 HA THR A 5 -14.376 7.656 2.378 1.00 0.00 H ATOM 62 HB THR A 5 -16.708 8.450 2.243 1.00 0.00 H ATOM 63 HG1 THR A 5 -16.292 10.146 0.663 1.00 0.00 H ATOM 64 HG23 THR A 5 -15.654 8.650 4.450 1.00 0.00 H ATOM 65 HG21 THR A 5 -15.106 10.295 4.047 1.00 0.00 H ATOM 66 HG22 THR A 5 -16.847 9.946 4.187 1.00 0.00 H ATOM 67 H THR A 5 -13.454 10.470 1.933 1.00 0.00 H ATOM 68 N GLN A 6 -14.708 7.181 -0.054 1.00 37.28 N ATOM 69 CA GLN A 6 -14.920 6.860 -1.470 1.00 37.05 C ATOM 70 C GLN A 6 -16.143 5.978 -1.557 1.00 37.86 C ATOM 71 O GLN A 6 -16.466 5.285 -0.591 1.00 38.55 O ATOM 72 CB GLN A 6 -13.727 6.091 -2.040 1.00 33.66 C ATOM 73 CG GLN A 6 -12.391 6.773 -1.864 1.00 34.82 C ATOM 74 CD GLN A 6 -11.245 5.924 -2.384 1.00 34.85 C ATOM 75 OE1 GLN A 6 -10.338 5.552 -1.637 1.00 35.86 O ATOM 76 NE2 GLN A 6 -11.289 5.606 -3.674 1.00 29.58 N ATOM 77 HA GLN A 6 -15.042 7.782 -2.038 1.00 0.00 H ATOM 78 HB2 GLN A 6 -13.681 5.121 -1.545 1.00 0.00 H ATOM 79 HB3 GLN A 6 -13.896 5.945 -3.107 1.00 0.00 H ATOM 80 HG2 GLN A 6 -12.404 7.718 -2.407 1.00 0.00 H ATOM 81 HG3 GLN A 6 -12.232 6.967 -0.803 1.00 0.00 H ATOM 82 HE22 GLN A 6 -12.075 5.943 -4.266 1.00 0.00 H ATOM 83 HE21 GLN A 6 -10.538 5.020 -4.091 1.00 0.00 H ATOM 84 H GLN A 6 -14.574 6.403 0.623 1.00 0.00 H ATOM 85 N GLU A 7 -16.825 5.979 -2.698 1.00 41.91 N ATOM 86 CA GLU A 7 -17.923 5.040 -2.846 1.00 44.36 C ATOM 87 C GLU A 7 -17.355 3.619 -2.907 1.00 42.40 C ATOM 88 O GLU A 7 -16.317 3.399 -3.491 1.00 42.37 O ATOM 89 CB GLU A 7 -18.860 5.394 -4.013 1.00 42.09 C ATOM 90 CG GLU A 7 -18.201 5.697 -5.283 1.00 45.34 C ATOM 91 CD GLU A 7 -17.792 7.155 -5.412 1.00 48.06 C ATOM 92 OE1 GLU A 7 -18.693 8.023 -5.367 1.00 47.51 O ATOM 93 OE2 GLU A 7 -16.569 7.419 -5.591 1.00 46.60 O ATOM 94 HA GLU A 7 -18.572 5.104 -1.973 1.00 0.00 H ATOM 95 HB2 GLU A 7 -19.528 4.548 -4.175 1.00 0.00 H ATOM 96 HB3 GLU A 7 -19.444 6.267 -3.721 1.00 0.00 H ATOM 97 HG2 GLU A 7 -17.308 5.078 -5.367 1.00 0.00 H ATOM 98 HG3 GLU A 7 -18.886 5.456 -6.096 1.00 0.00 H ATOM 99 H GLU A 7 -16.578 6.636 -3.466 1.00 0.00 H ATOM 100 N PRO A 8 -18.000 2.673 -2.214 1.00 38.82 N ATOM 101 CA PRO A 8 -17.451 1.315 -2.109 1.00 36.71 C ATOM 102 C PRO A 8 -17.411 0.584 -3.438 1.00 36.31 C ATOM 103 O PRO A 8 -16.501 -0.205 -3.694 1.00 34.93 O ATOM 104 CB PRO A 8 -18.444 0.607 -1.167 1.00 36.29 C ATOM 105 CG PRO A 8 -19.038 1.706 -0.354 1.00 36.35 C ATOM 106 CD PRO A 8 -19.118 2.898 -1.273 1.00 37.30 C ATOM 107 HA PRO A 8 -16.419 1.332 -1.759 1.00 0.00 H ATOM 108 HD3 PRO A 8 -20.073 2.924 -1.798 1.00 0.00 H ATOM 109 HD2 PRO A 8 -18.983 3.828 -0.721 1.00 0.00 H ATOM 110 HG3 PRO A 8 -18.404 1.929 0.504 1.00 0.00 H ATOM 111 HG2 PRO A 8 -20.033 1.427 -0.006 1.00 0.00 H ATOM 112 HB2 PRO A 8 -19.215 0.090 -1.738 1.00 0.00 H ATOM 113 HB3 PRO A 8 -17.926 -0.108 -0.528 1.00 0.00 H ATOM 114 N SER A 9 -18.391 0.866 -4.283 1.00 41.31 N ATOM 115 CA SER A 9 -18.676 0.021 -5.420 1.00 39.88 C ATOM 116 C SER A 9 -19.325 0.846 -6.516 1.00 40.09 C ATOM 117 O SER A 9 -20.293 1.542 -6.263 1.00 43.43 O ATOM 118 CB SER A 9 -19.644 -1.068 -4.965 1.00 39.96 C ATOM 119 OG SER A 9 -19.696 -2.143 -5.875 1.00 43.93 O ATOM 120 HA SER A 9 -17.757 -0.420 -5.806 1.00 0.00 H ATOM 121 HB2 SER A 9 -20.641 -0.637 -4.872 1.00 0.00 H ATOM 122 HB3 SER A 9 -19.320 -1.444 -3.994 1.00 0.00 H ATOM 123 HG SER A 9 -18.796 -2.545 -5.960 1.00 0.00 H ATOM 124 H SER A 9 -18.969 1.716 -4.124 1.00 0.00 H ATOM 125 N VAL A 11 -18.790 0.790 -7.728 1.00 43.20 N ATOM 126 CA VAL A 11 -19.411 1.450 -8.872 1.00 42.25 C ATOM 127 C VAL A 11 -19.283 0.542 -10.088 1.00 40.82 C ATOM 128 O VAL A 11 -18.340 -0.239 -10.190 1.00 41.16 O ATOM 129 CB VAL A 11 -18.763 2.825 -9.208 1.00 42.75 C ATOM 130 CG1 VAL A 11 -19.521 3.493 -10.328 1.00 47.02 C ATOM 131 CG2 VAL A 11 -18.803 3.745 -8.029 1.00 45.86 C ATOM 132 HA VAL A 11 -20.453 1.636 -8.613 1.00 0.00 H ATOM 133 HB VAL A 11 -17.729 2.634 -9.494 1.00 0.00 H ATOM 134 HG11 VAL A 11 -19.494 2.857 -11.213 1.00 0.00 H ATOM 135 HG12 VAL A 11 -20.556 3.649 -10.023 1.00 0.00 H ATOM 136 HG13 VAL A 11 -19.059 4.454 -10.555 1.00 0.00 H ATOM 137 HG21 VAL A 11 -19.839 3.911 -7.734 1.00 0.00 H ATOM 138 HG22 VAL A 11 -18.256 3.296 -7.200 1.00 0.00 H ATOM 139 HG23 VAL A 11 -18.343 4.696 -8.296 1.00 0.00 H ATOM 140 H VAL A 11 -17.905 0.262 -7.867 1.00 0.00 H ATOM 141 N THR A 12 -20.241 0.651 -11.003 1.00 41.29 N ATOM 142 CA THR A 12 -20.313 -0.178 -12.192 1.00 40.25 C ATOM 143 C THR A 12 -20.406 0.733 -13.425 1.00 43.03 C ATOM 144 O THR A 12 -21.099 1.756 -13.400 1.00 44.62 O ATOM 145 CB THR A 12 -21.546 -1.119 -12.114 1.00 42.23 C ATOM 146 OG1 THR A 12 -21.378 -2.048 -11.034 1.00 43.07 O ATOM 147 CG2 THR A 12 -21.724 -1.909 -13.400 1.00 41.18 C ATOM 148 HA THR A 12 -19.420 -0.798 -12.266 1.00 0.00 H ATOM 149 HB THR A 12 -22.426 -0.496 -11.955 1.00 0.00 H ATOM 150 HG1 THR A 12 -22.166 -2.645 -10.988 1.00 0.00 H ATOM 151 HG23 THR A 12 -21.853 -1.219 -14.234 1.00 0.00 H ATOM 152 HG21 THR A 12 -20.842 -2.526 -13.571 1.00 0.00 H ATOM 153 HG22 THR A 12 -22.604 -2.547 -13.314 1.00 0.00 H ATOM 154 H THR A 12 -20.979 1.369 -10.859 1.00 0.00 H ATOM 155 N VAL A 13 -19.689 0.371 -14.489 1.00 34.76 N ATOM 156 CA VAL A 13 -19.728 1.082 -15.766 1.00 34.86 C ATOM 157 C VAL A 13 -19.764 0.012 -16.853 1.00 35.65 C ATOM 158 O VAL A 13 -19.348 -1.124 -16.611 1.00 38.18 O ATOM 159 CB VAL A 13 -18.483 1.992 -15.942 1.00 34.14 C ATOM 160 CG1 VAL A 13 -17.200 1.161 -15.954 1.00 29.54 C ATOM 161 CG2 VAL A 13 -18.592 2.885 -17.206 1.00 31.90 C ATOM 162 HA VAL A 13 -20.600 1.733 -15.818 1.00 0.00 H ATOM 163 HB VAL A 13 -18.443 2.663 -15.084 1.00 0.00 H ATOM 164 HG11 VAL A 13 -17.110 0.620 -15.012 1.00 0.00 H ATOM 165 HG12 VAL A 13 -17.236 0.451 -16.780 1.00 0.00 H ATOM 166 HG13 VAL A 13 -16.342 1.822 -16.078 1.00 0.00 H ATOM 167 HG21 VAL A 13 -18.681 2.253 -18.089 1.00 0.00 H ATOM 168 HG22 VAL A 13 -19.472 3.523 -17.124 1.00 0.00 H ATOM 169 HG23 VAL A 13 -17.699 3.505 -17.289 1.00 0.00 H ATOM 170 H VAL A 13 -19.070 -0.460 -14.406 1.00 0.00 H ATOM 171 N SER A 14 -20.274 0.331 -18.037 1.00 37.88 N ATOM 172 CA SER A 14 -20.189 -0.640 -19.127 1.00 40.28 C ATOM 173 C SER A 14 -18.974 -0.348 -20.022 1.00 39.28 C ATOM 174 O SER A 14 -18.450 0.763 -19.997 1.00 36.59 O ATOM 175 CB SER A 14 -21.504 -0.717 -19.906 1.00 42.26 C ATOM 176 OG SER A 14 -21.678 0.412 -20.728 1.00 44.88 O ATOM 177 HA SER A 14 -20.033 -1.631 -18.701 1.00 0.00 H ATOM 178 HB2 SER A 14 -22.333 -0.774 -19.200 1.00 0.00 H ATOM 179 HB3 SER A 14 -21.497 -1.612 -20.528 1.00 0.00 H ATOM 180 HG SER A 14 -22.535 0.333 -21.218 1.00 0.00 H ATOM 181 H SER A 14 -20.726 1.256 -18.186 1.00 0.00 H ATOM 182 N PRO A 15 -18.482 -1.359 -20.760 1.00 35.81 N ATOM 183 CA PRO A 15 -17.359 -1.103 -21.674 1.00 34.60 C ATOM 184 C PRO A 15 -17.674 0.068 -22.592 1.00 34.20 C ATOM 185 O PRO A 15 -18.768 0.141 -23.147 1.00 37.45 O ATOM 186 CB PRO A 15 -17.257 -2.399 -22.481 1.00 33.51 C ATOM 187 CG PRO A 15 -17.783 -3.449 -21.556 1.00 36.88 C ATOM 188 CD PRO A 15 -18.876 -2.781 -20.751 1.00 37.75 C ATOM 189 HA PRO A 15 -16.436 -0.847 -21.154 1.00 0.00 H ATOM 190 HD3 PRO A 15 -19.849 -2.920 -21.222 1.00 0.00 H ATOM 191 HD2 PRO A 15 -18.907 -3.172 -19.734 1.00 0.00 H ATOM 192 HG3 PRO A 15 -16.991 -3.806 -20.898 1.00 0.00 H ATOM 193 HG2 PRO A 15 -18.188 -4.287 -22.124 1.00 0.00 H ATOM 194 HB2 PRO A 15 -17.863 -2.341 -23.385 1.00 0.00 H ATOM 195 HB3 PRO A 15 -16.222 -2.606 -22.752 1.00 0.00 H ATOM 196 N GLY A 16 -16.739 0.996 -22.708 1.00 35.82 N ATOM 197 CA GLY A 16 -16.959 2.184 -23.504 1.00 34.38 C ATOM 198 C GLY A 16 -17.542 3.331 -22.712 1.00 37.02 C ATOM 199 O GLY A 16 -17.502 4.479 -23.150 1.00 35.34 O ATOM 200 HA3 GLY A 16 -17.646 1.937 -24.313 1.00 0.00 H ATOM 201 HA2 GLY A 16 -16.005 2.502 -23.924 1.00 0.00 H ATOM 202 H GLY A 16 -15.830 0.870 -22.219 1.00 0.00 H ATOM 203 N GLY A 17 -18.070 3.028 -21.533 1.00 30.09 N ATOM 204 CA GLY A 17 -18.694 4.043 -20.705 1.00 29.29 C ATOM 205 C GLY A 17 -17.738 4.964 -19.963 1.00 31.03 C ATOM 206 O GLY A 17 -16.520 4.769 -19.967 1.00 29.37 O ATOM 207 HA3 GLY A 17 -19.315 3.538 -19.966 1.00 0.00 H ATOM 208 HA2 GLY A 17 -19.324 4.659 -21.347 1.00 0.00 H ATOM 209 H GLY A 17 -18.036 2.045 -21.196 1.00 0.00 H ATOM 210 N THR A 18 -18.324 5.978 -19.326 1.00 35.77 N ATOM 211 CA THR A 18 -17.615 6.973 -18.543 1.00 32.44 C ATOM 212 C THR A 18 -18.183 6.917 -17.130 1.00 35.15 C ATOM 213 O THR A 18 -19.395 6.882 -16.930 1.00 35.80 O ATOM 214 CB THR A 18 -17.815 8.401 -19.132 1.00 34.39 C ATOM 215 OG1 THR A 18 -17.179 8.490 -20.421 1.00 34.37 O ATOM 216 CG2 THR A 18 -17.244 9.480 -18.199 1.00 26.69 C ATOM 217 HA THR A 18 -16.545 6.763 -18.553 1.00 0.00 H ATOM 218 HB THR A 18 -18.886 8.575 -19.235 1.00 0.00 H ATOM 219 HG1 THR A 18 -17.581 7.824 -21.033 1.00 0.00 H ATOM 220 HG23 THR A 18 -17.728 9.409 -17.225 1.00 0.00 H ATOM 221 HG21 THR A 18 -16.171 9.329 -18.085 1.00 0.00 H ATOM 222 HG22 THR A 18 -17.430 10.465 -18.628 1.00 0.00 H ATOM 223 H THR A 18 -19.358 6.061 -19.395 1.00 0.00 H ATOM 224 N VAL A 19 -17.305 6.891 -16.142 1.00 31.69 N ATOM 225 CA VAL A 19 -17.746 6.788 -14.766 1.00 30.80 C ATOM 226 C VAL A 19 -16.885 7.690 -13.891 1.00 28.60 C ATOM 227 O VAL A 19 -15.696 7.869 -14.153 1.00 28.88 O ATOM 228 CB VAL A 19 -17.681 5.321 -14.274 1.00 30.93 C ATOM 229 CG1 VAL A 19 -16.265 4.768 -14.396 1.00 27.25 C ATOM 230 CG2 VAL A 19 -18.149 5.225 -12.841 1.00 32.84 C ATOM 231 HA VAL A 19 -18.785 7.112 -14.700 1.00 0.00 H ATOM 232 HB VAL A 19 -18.341 4.725 -14.904 1.00 0.00 H ATOM 233 HG11 VAL A 19 -15.952 4.802 -15.439 1.00 0.00 H ATOM 234 HG12 VAL A 19 -15.587 5.371 -13.792 1.00 0.00 H ATOM 235 HG13 VAL A 19 -16.248 3.737 -14.044 1.00 0.00 H ATOM 236 HG21 VAL A 19 -17.509 5.841 -12.209 1.00 0.00 H ATOM 237 HG22 VAL A 19 -19.178 5.578 -12.772 1.00 0.00 H ATOM 238 HG23 VAL A 19 -18.097 4.187 -12.512 1.00 0.00 H ATOM 239 H VAL A 19 -16.288 6.945 -16.355 1.00 0.00 H ATOM 240 N ILE A 20 -17.492 8.263 -12.860 1.00 29.39 N ATOM 241 CA ILE A 20 -16.785 9.154 -11.955 1.00 31.57 C ATOM 242 C ILE A 20 -16.608 8.494 -10.593 1.00 34.73 C ATOM 243 O ILE A 20 -17.580 8.024 -10.002 1.00 34.87 O ATOM 244 CB ILE A 20 -17.561 10.469 -11.781 1.00 33.01 C ATOM 245 CG1 ILE A 20 -17.780 11.134 -13.145 1.00 30.97 C ATOM 246 CG2 ILE A 20 -16.825 11.415 -10.850 1.00 34.14 C ATOM 247 CD1 ILE A 20 -18.727 12.319 -13.093 1.00 37.11 C ATOM 248 HA ILE A 20 -15.806 9.367 -12.385 1.00 0.00 H ATOM 249 HB ILE A 20 -18.529 10.239 -11.336 1.00 0.00 H ATOM 250 HG12 ILE A 20 -16.816 11.478 -13.521 1.00 0.00 H ATOM 251 HG13 ILE A 20 -18.192 10.392 -13.829 1.00 0.00 H ATOM 252 HD11 ILE A 20 -19.700 11.989 -12.729 1.00 0.00 H ATOM 253 HD12 ILE A 20 -18.323 13.076 -12.420 1.00 0.00 H ATOM 254 HD13 ILE A 20 -18.835 12.740 -14.093 1.00 0.00 H ATOM 255 HG21 ILE A 20 -16.709 10.945 -9.874 1.00 0.00 H ATOM 256 HG22 ILE A 20 -15.843 11.640 -11.265 1.00 0.00 H ATOM 257 HG23 ILE A 20 -17.397 12.337 -10.745 1.00 0.00 H ATOM 258 H ILE A 20 -18.500 8.070 -12.695 1.00 0.00 H ATOM 259 N LEU A 21 -15.372 8.430 -10.105 1.00 40.27 N ATOM 260 CA LEU A 21 -15.152 8.019 -8.724 1.00 40.56 C ATOM 261 C LEU A 21 -14.824 9.267 -7.904 1.00 39.43 C ATOM 262 O LEU A 21 -14.032 10.096 -8.326 1.00 39.71 O ATOM 263 CB LEU A 21 -14.031 6.980 -8.599 1.00 38.89 C ATOM 264 CG LEU A 21 -13.954 5.823 -9.606 1.00 41.06 C ATOM 265 CD1 LEU A 21 -12.983 4.761 -9.125 1.00 40.27 C ATOM 266 CD2 LEU A 21 -15.294 5.209 -9.862 1.00 41.64 C ATOM 267 HA LEU A 21 -16.056 7.540 -8.349 1.00 0.00 H ATOM 268 HB2 LEU A 21 -13.088 7.522 -8.666 1.00 0.00 H ATOM 269 HB3 LEU A 21 -14.122 6.533 -7.609 1.00 0.00 H ATOM 270 HG LEU A 21 -13.595 6.242 -10.546 1.00 0.00 H ATOM 271 HD21 LEU A 21 -15.698 4.820 -8.928 1.00 0.00 H ATOM 272 HD22 LEU A 21 -15.968 5.965 -10.264 1.00 0.00 H ATOM 273 HD23 LEU A 21 -15.188 4.396 -10.580 1.00 0.00 H ATOM 274 HD11 LEU A 21 -11.992 5.200 -9.014 1.00 0.00 H ATOM 275 HD12 LEU A 21 -13.319 4.372 -8.164 1.00 0.00 H ATOM 276 HD13 LEU A 21 -12.943 3.950 -9.853 1.00 0.00 H ATOM 277 H LEU A 21 -14.562 8.674 -10.710 1.00 0.00 H ATOM 278 N THR A 22 -15.454 9.412 -6.743 1.00 33.92 N ATOM 279 CA THR A 22 -15.225 10.590 -5.920 1.00 33.20 C ATOM 280 C THR A 22 -14.457 10.249 -4.656 1.00 34.30 C ATOM 281 O THR A 22 -14.363 9.091 -4.251 1.00 33.10 O ATOM 282 CB THR A 22 -16.527 11.325 -5.561 1.00 35.11 C ATOM 283 OG1 THR A 22 -17.354 10.473 -4.764 1.00 34.78 O ATOM 284 CG2 THR A 22 -17.272 11.725 -6.825 1.00 35.53 C ATOM 285 HA THR A 22 -14.621 11.264 -6.527 1.00 0.00 H ATOM 286 HB THR A 22 -16.281 12.225 -4.998 1.00 0.00 H ATOM 287 HG1 THR A 22 -17.569 9.652 -5.274 1.00 0.00 H ATOM 288 HG23 THR A 22 -16.638 12.374 -7.429 1.00 0.00 H ATOM 289 HG21 THR A 22 -17.525 10.831 -7.394 1.00 0.00 H ATOM 290 HG22 THR A 22 -18.185 12.256 -6.555 1.00 0.00 H ATOM 291 H THR A 22 -16.116 8.678 -6.420 1.00 0.00 H ATOM 292 N CYS A 23 -13.897 11.275 -4.039 1.00 39.73 N ATOM 293 CA CYS A 23 -13.028 11.092 -2.901 1.00 37.64 C ATOM 294 C CYS A 23 -13.270 12.289 -2.045 1.00 38.70 C ATOM 295 O CYS A 23 -12.859 13.399 -2.404 1.00 40.39 O ATOM 296 CB CYS A 23 -11.573 11.090 -3.363 1.00 40.40 C ATOM 297 SG CYS A 23 -10.350 11.045 -2.023 1.00 39.99 S ATOM 298 HA CYS A 23 -13.219 10.154 -2.379 1.00 0.00 H ATOM 299 HB2 CYS A 23 -11.402 11.993 -3.949 1.00 0.00 H ATOM 300 HB3 CYS A 23 -11.418 10.214 -3.994 1.00 0.00 H ATOM 301 HG CYS A 23 -11.213 11.164 -0.953 1.00 0.00 H ATOM 302 H CYS A 23 -14.087 12.238 -4.382 1.00 0.00 H ATOM 303 N GLY A 24 -13.943 12.072 -0.918 1.00 40.18 N ATOM 304 CA GLY A 24 -14.332 13.163 -0.046 1.00 40.96 C ATOM 305 C GLY A 24 -13.598 13.208 1.282 1.00 41.28 C ATOM 306 O GLY A 24 -13.082 12.198 1.767 1.00 41.04 O ATOM 307 HA3 GLY A 24 -15.399 13.070 0.159 1.00 0.00 H ATOM 308 HA2 GLY A 24 -14.144 14.100 -0.570 1.00 0.00 H ATOM 309 H GLY A 24 -14.196 11.098 -0.657 1.00 0.00 H ATOM 310 N SER A 25 -13.558 14.394 1.877 1.00 38.01 N ATOM 311 CA SER A 25 -13.006 14.566 3.213 1.00 45.69 C ATOM 312 C SER A 25 -14.115 14.875 4.211 1.00 49.09 C ATOM 313 O SER A 25 -14.978 15.714 3.939 1.00 47.35 O ATOM 314 CB SER A 25 -11.998 15.705 3.216 1.00 44.63 C ATOM 315 OG SER A 25 -11.617 16.012 4.535 1.00 45.38 O ATOM 316 HA SER A 25 -12.512 13.639 3.503 1.00 0.00 H ATOM 317 HB2 SER A 25 -12.447 16.585 2.756 1.00 0.00 H ATOM 318 HB3 SER A 25 -11.117 15.409 2.646 1.00 0.00 H ATOM 319 HG SER A 25 -11.207 15.214 4.953 1.00 0.00 H ATOM 320 H SER A 25 -13.932 15.224 1.374 1.00 0.00 H ATOM 321 N SER A 26 -14.086 14.212 5.367 1.00 54.15 N ATOM 322 CA SER A 26 -15.140 14.392 6.375 1.00 54.87 C ATOM 323 C SER A 26 -15.031 15.699 7.167 1.00 55.69 C ATOM 324 O SER A 26 -15.896 16.013 7.974 1.00 62.68 O ATOM 325 CB SER A 26 -15.220 13.185 7.333 1.00 55.98 C ATOM 326 OG SER A 26 -14.099 13.084 8.203 1.00 56.17 O ATOM 327 HA SER A 26 -16.067 14.457 5.806 1.00 0.00 H ATOM 328 HB2 SER A 26 -15.280 12.274 6.738 1.00 0.00 H ATOM 329 HB3 SER A 26 -16.121 13.282 7.939 1.00 0.00 H ATOM 330 HG SER A 26 -13.273 12.985 7.666 1.00 0.00 H ATOM 331 H SER A 26 -13.303 13.555 5.559 1.00 0.00 H ATOM 332 N THR A 27 -13.980 16.471 6.936 1.00 65.39 N ATOM 333 CA THR A 27 -13.791 17.697 7.699 1.00 63.43 C ATOM 334 C THR A 27 -13.674 18.919 6.811 1.00 65.67 C ATOM 335 O THR A 27 -12.904 19.825 7.102 1.00 68.67 O ATOM 336 CB THR A 27 -12.522 17.624 8.558 1.00 65.69 C ATOM 337 OG1 THR A 27 -11.355 17.722 7.721 1.00 68.25 O ATOM 338 CG2 THR A 27 -12.497 16.321 9.349 1.00 64.94 C ATOM 339 HA THR A 27 -14.676 17.792 8.328 1.00 0.00 H ATOM 340 HB THR A 27 -12.522 18.458 9.260 1.00 0.00 H ATOM 341 HG1 THR A 27 -11.371 18.584 7.235 1.00 0.00 H ATOM 342 HG23 THR A 27 -13.386 16.262 9.977 1.00 0.00 H ATOM 343 HG21 THR A 27 -12.482 15.478 8.658 1.00 0.00 H ATOM 344 HG22 THR A 27 -11.605 16.295 9.976 1.00 0.00 H ATOM 345 H THR A 27 -13.288 16.201 6.208 1.00 0.00 H ATOM 346 N GLY A 27A -14.418 18.939 5.714 1.00 55.93 N ATOM 347 CA GLY A 27A -14.398 20.083 4.827 1.00 53.01 C ATOM 348 C GLY A 27A -14.309 19.688 3.370 1.00 53.68 C ATOM 349 O GLY A 27A -14.234 18.504 3.040 1.00 53.09 O ATOM 350 HA3 GLY A 27A -13.536 20.702 5.074 1.00 0.00 H ATOM 351 HA2 GLY A 27A -15.312 20.658 4.978 1.00 0.00 H ATOM 352 H GLY A 27A -15.023 18.124 5.488 1.00 0.00 H ATOM 353 N ALA A 27B -14.333 20.693 2.499 1.00 40.85 N ATOM 354 CA ALA A 27B -14.194 20.480 1.075 1.00 41.95 C ATOM 355 C ALA A 27B -12.760 20.066 0.743 1.00 43.94 C ATOM 356 O ALA A 27B -11.814 20.420 1.449 1.00 44.72 O ATOM 357 CB ALA A 27B -14.565 21.741 0.324 1.00 39.97 C ATOM 358 HA ALA A 27B -14.867 19.679 0.769 1.00 0.00 H ATOM 359 HB1 ALA A 27B -15.598 22.005 0.548 1.00 0.00 H ATOM 360 HB2 ALA A 27B -13.906 22.553 0.632 1.00 0.00 H ATOM 361 HB3 ALA A 27B -14.457 21.570 -0.747 1.00 0.00 H ATOM 362 H ALA A 27B -14.456 21.663 2.853 1.00 0.00 H ATOM 363 N VAL A 27C -12.614 19.293 -0.322 1.00 40.91 N ATOM 364 CA VAL A 27C -11.314 18.928 -0.839 1.00 39.68 C ATOM 365 C VAL A 27C -10.859 20.024 -1.798 1.00 39.31 C ATOM 366 O VAL A 27C -11.623 20.471 -2.661 1.00 42.46 O ATOM 367 CB VAL A 27C -11.405 17.586 -1.592 1.00 38.22 C ATOM 368 CG1 VAL A 27C -10.074 17.232 -2.252 1.00 36.04 C ATOM 369 CG2 VAL A 27C -11.850 16.493 -0.638 1.00 37.61 C ATOM 370 HA VAL A 27C -10.603 18.820 -0.020 1.00 0.00 H ATOM 371 HB VAL A 27C -12.145 17.681 -2.387 1.00 0.00 H ATOM 372 HG11 VAL A 27C -9.803 18.013 -2.963 1.00 0.00 H ATOM 373 HG12 VAL A 27C -9.301 17.151 -1.488 1.00 0.00 H ATOM 374 HG13 VAL A 27C -10.171 16.281 -2.775 1.00 0.00 H ATOM 375 HG21 VAL A 27C -11.128 16.404 0.173 1.00 0.00 H ATOM 376 HG22 VAL A 27C -12.828 16.746 -0.229 1.00 0.00 H ATOM 377 HG23 VAL A 27C -11.913 15.547 -1.175 1.00 0.00 H ATOM 378 H VAL A 27C -13.464 18.936 -0.803 1.00 0.00 H ATOM 379 N THR A 28 -9.627 20.477 -1.644 1.00 40.94 N ATOM 380 CA THR A 28 -9.079 21.479 -2.556 1.00 44.79 C ATOM 381 C THR A 28 -7.785 20.955 -3.172 1.00 42.51 C ATOM 382 O THR A 28 -7.257 19.929 -2.738 1.00 41.27 O ATOM 383 CB THR A 28 -8.773 22.787 -1.804 1.00 47.27 C ATOM 384 OG1 THR A 28 -7.705 22.561 -0.869 1.00 45.32 O ATOM 385 CG2 THR A 28 -10.008 23.263 -1.047 1.00 44.03 C ATOM 386 HA THR A 28 -9.817 21.676 -3.334 1.00 0.00 H ATOM 387 HB THR A 28 -8.481 23.549 -2.527 1.00 0.00 H ATOM 388 HG1 THR A 28 -7.508 23.402 -0.385 1.00 0.00 H ATOM 389 HG23 THR A 28 -10.821 23.436 -1.752 1.00 0.00 H ATOM 390 HG21 THR A 28 -10.306 22.502 -0.326 1.00 0.00 H ATOM 391 HG22 THR A 28 -9.777 24.190 -0.523 1.00 0.00 H ATOM 392 H THR A 28 -9.041 20.116 -0.865 1.00 0.00 H ATOM 393 N SER A 29 -7.253 21.670 -4.154 1.00 38.23 N ATOM 394 CA SER A 29 -5.962 21.304 -4.742 1.00 38.99 C ATOM 395 C SER A 29 -4.859 21.277 -3.682 1.00 37.51 C ATOM 396 O SER A 29 -3.811 20.661 -3.872 1.00 38.43 O ATOM 397 CB SER A 29 -5.589 22.270 -5.872 1.00 36.51 C ATOM 398 OG SER A 29 -5.402 23.577 -5.351 1.00 41.84 O ATOM 399 HA SER A 29 -6.059 20.301 -5.157 1.00 0.00 H ATOM 400 HB2 SER A 29 -6.389 22.287 -6.612 1.00 0.00 H ATOM 401 HB3 SER A 29 -4.666 21.934 -6.345 1.00 0.00 H ATOM 402 HG SER A 29 -6.240 23.883 -4.923 1.00 0.00 H ATOM 403 H SER A 29 -7.760 22.504 -4.513 1.00 0.00 H ATOM 404 N GLY A 30 -5.110 21.936 -2.557 1.00 38.65 N ATOM 405 CA GLY A 30 -4.178 21.941 -1.443 1.00 35.63 C ATOM 406 C GLY A 30 -4.110 20.618 -0.694 1.00 36.49 C ATOM 407 O GLY A 30 -3.313 20.475 0.235 1.00 37.40 O ATOM 408 HA3 GLY A 30 -4.484 22.718 -0.742 1.00 0.00 H ATOM 409 HA2 GLY A 30 -3.184 22.170 -1.827 1.00 0.00 H ATOM 410 H GLY A 30 -6.001 22.465 -2.471 1.00 0.00 H ATOM 411 N HIS A 31 -4.949 19.658 -1.076 1.00 36.09 N ATOM 412 CA HIS A 31 -4.868 18.307 -0.512 1.00 38.60 C ATOM 413 C HIS A 31 -4.040 17.389 -1.374 1.00 36.11 C ATOM 414 O HIS A 31 -3.770 16.270 -0.969 1.00 36.52 O ATOM 415 CB HIS A 31 -6.245 17.661 -0.366 1.00 38.20 C ATOM 416 CG HIS A 31 -7.079 18.258 0.713 1.00 42.51 C ATOM 417 ND1 HIS A 31 -8.036 19.217 0.466 1.00 45.81 N ATOM 418 CD2 HIS A 31 -7.101 18.037 2.051 1.00 44.83 C ATOM 419 CE1 HIS A 31 -8.611 19.560 1.603 1.00 46.23 C ATOM 420 NE2 HIS A 31 -8.064 18.857 2.581 1.00 50.55 N ATOM 421 HA HIS A 31 -4.405 18.433 0.467 1.00 0.00 H ATOM 422 HB2 HIS A 31 -6.777 17.769 -1.311 1.00 0.00 H ATOM 423 HB3 HIS A 31 -6.106 16.602 -0.147 1.00 0.00 H ATOM 424 HD2 HIS A 31 -6.471 17.338 2.602 1.00 0.00 H ATOM 425 HE1 HIS A 31 -9.404 20.299 1.717 1.00 0.00 H ATOM 426 H HIS A 31 -5.676 19.870 -1.788 1.00 0.00 H ATOM 427 N TYR A 32 -3.685 17.850 -2.572 1.00 34.66 N ATOM 428 CA TYR A 32 -2.822 17.101 -3.482 1.00 34.12 C ATOM 429 C TYR A 32 -3.277 15.643 -3.690 1.00 32.69 C ATOM 430 O TYR A 32 -2.474 14.720 -3.542 1.00 32.73 O ATOM 431 CB TYR A 32 -1.360 17.128 -2.984 1.00 32.54 C ATOM 432 CG TYR A 32 -0.764 18.510 -2.829 1.00 33.90 C ATOM 433 CD1 TYR A 32 0.040 19.055 -3.831 1.00 35.72 C ATOM 434 CD2 TYR A 32 -0.999 19.274 -1.691 1.00 35.11 C ATOM 435 CE1 TYR A 32 0.592 20.315 -3.710 1.00 34.78 C ATOM 436 CE2 TYR A 32 -0.455 20.553 -1.553 1.00 36.03 C ATOM 437 CZ TYR A 32 0.349 21.061 -2.571 1.00 39.29 C ATOM 438 OH TYR A 32 0.921 22.311 -2.460 1.00 37.55 O ATOM 439 HA TYR A 32 -2.894 17.597 -4.450 1.00 0.00 H ATOM 440 HB3 TYR A 32 -0.749 16.574 -3.697 1.00 0.00 H ATOM 441 HB2 TYR A 32 -1.324 16.633 -2.014 1.00 0.00 H ATOM 442 HD2 TYR A 32 -1.619 18.867 -0.892 1.00 0.00 H ATOM 443 HE2 TYR A 32 -0.657 21.146 -0.661 1.00 0.00 H ATOM 444 HE1 TYR A 32 1.216 20.719 -4.507 1.00 0.00 H ATOM 445 HD1 TYR A 32 0.237 18.472 -4.731 1.00 0.00 H ATOM 446 HH TYR A 32 1.454 22.502 -3.272 1.00 0.00 H ATOM 447 H TYR A 32 -4.037 18.782 -2.872 1.00 0.00 H ATOM 448 N ALA A 33 -4.553 15.445 -4.014 1.00 30.08 N ATOM 449 CA ALA A 33 -5.116 14.104 -4.162 1.00 30.08 C ATOM 450 C ALA A 33 -4.295 13.175 -5.052 1.00 29.98 C ATOM 451 O ALA A 33 -3.972 13.515 -6.194 1.00 28.85 O ATOM 452 CB ALA A 33 -6.560 14.180 -4.676 1.00 31.63 C ATOM 453 HA ALA A 33 -5.094 13.666 -3.164 1.00 0.00 H ATOM 454 HB1 ALA A 33 -7.167 14.743 -3.967 1.00 0.00 H ATOM 455 HB2 ALA A 33 -6.574 14.679 -5.645 1.00 0.00 H ATOM 456 HB3 ALA A 33 -6.961 13.172 -4.779 1.00 0.00 H ATOM 457 H ALA A 33 -5.168 16.270 -4.166 1.00 0.00 H ATOM 458 N ASN A 34 -3.965 12.000 -4.528 1.00 27.44 N ATOM 459 CA ASN A 34 -3.347 10.961 -5.348 1.00 26.13 C ATOM 460 C ASN A 34 -4.345 9.859 -5.584 1.00 27.80 C ATOM 461 O ASN A 34 -5.215 9.625 -4.748 1.00 27.62 O ATOM 462 CB ASN A 34 -2.108 10.389 -4.670 1.00 25.03 C ATOM 463 CG ASN A 34 -0.898 11.287 -4.819 1.00 27.28 C ATOM 464 OD1 ASN A 34 0.177 10.835 -5.229 1.00 27.67 O ATOM 465 ND2 ASN A 34 -1.064 12.574 -4.497 1.00 27.79 N ATOM 466 HA ASN A 34 -3.042 11.403 -6.296 1.00 0.00 H ATOM 467 HB2 ASN A 34 -2.319 10.259 -3.608 1.00 0.00 H ATOM 468 HB3 ASN A 34 -1.881 9.420 -5.115 1.00 0.00 H ATOM 469 HD22 ASN A 34 -1.987 12.910 -4.156 1.00 0.00 H ATOM 470 HD21 ASN A 34 -0.270 13.239 -4.588 1.00 0.00 H ATOM 471 H ASN A 34 -4.149 11.817 -3.521 1.00 0.00 H ATOM 472 N TRP A 35 -4.240 9.187 -6.723 1.00 30.73 N ATOM 473 CA TRP A 35 -5.080 8.022 -6.976 1.00 30.36 C ATOM 474 C TRP A 35 -4.193 6.834 -7.317 1.00 31.48 C ATOM 475 O TRP A 35 -3.167 6.986 -7.990 1.00 31.45 O ATOM 476 CB TRP A 35 -6.092 8.278 -8.114 1.00 30.48 C ATOM 477 CG TRP A 35 -7.165 9.301 -7.801 1.00 32.99 C ATOM 478 CD1 TRP A 35 -7.053 10.672 -7.872 1.00 32.53 C ATOM 479 CD2 TRP A 35 -8.504 9.037 -7.359 1.00 32.67 C ATOM 480 NE1 TRP A 35 -8.242 11.269 -7.512 1.00 33.05 N ATOM 481 CE2 TRP A 35 -9.146 10.289 -7.187 1.00 34.13 C ATOM 482 CE3 TRP A 35 -9.229 7.865 -7.107 1.00 31.87 C ATOM 483 CZ2 TRP A 35 -10.477 10.395 -6.789 1.00 32.93 C ATOM 484 CZ3 TRP A 35 -10.551 7.976 -6.705 1.00 34.67 C ATOM 485 CH2 TRP A 35 -11.161 9.236 -6.550 1.00 33.81 C ATOM 486 HA TRP A 35 -5.656 7.812 -6.075 1.00 0.00 H ATOM 487 HB2 TRP A 35 -5.539 8.625 -8.987 1.00 0.00 H ATOM 488 HB3 TRP A 35 -6.583 7.334 -8.348 1.00 0.00 H ATOM 489 HE1 TRP A 35 -8.424 12.293 -7.490 1.00 0.00 H ATOM 490 HD1 TRP A 35 -6.152 11.208 -8.170 1.00 0.00 H ATOM 491 HZ2 TRP A 35 -10.956 11.367 -6.672 1.00 0.00 H ATOM 492 HH2 TRP A 35 -12.202 9.288 -6.232 1.00 0.00 H ATOM 493 HZ3 TRP A 35 -11.128 7.073 -6.506 1.00 0.00 H ATOM 494 HE3 TRP A 35 -8.763 6.886 -7.225 1.00 0.00 H ATOM 495 H TRP A 35 -3.553 9.493 -7.441 1.00 0.00 H ATOM 496 N PHE A 36 -4.621 5.655 -6.879 1.00 28.49 N ATOM 497 CA PHE A 36 -3.876 4.428 -7.043 1.00 26.52 C ATOM 498 C PHE A 36 -4.830 3.361 -7.527 1.00 28.92 C ATOM 499 O PHE A 36 -6.036 3.436 -7.277 1.00 29.59 O ATOM 500 CB PHE A 36 -3.262 3.998 -5.711 1.00 28.36 C ATOM 501 CG PHE A 36 -2.371 5.034 -5.112 1.00 29.80 C ATOM 502 CD1 PHE A 36 -1.004 5.022 -5.370 1.00 28.06 C ATOM 503 CD2 PHE A 36 -2.897 6.037 -4.297 1.00 28.89 C ATOM 504 CE1 PHE A 36 -0.166 5.994 -4.819 1.00 29.48 C ATOM 505 CE2 PHE A 36 -2.069 7.012 -3.738 1.00 31.58 C ATOM 506 CZ PHE A 36 -0.696 6.998 -4.004 1.00 29.76 C ATOM 507 HA PHE A 36 -3.070 4.577 -7.762 1.00 0.00 H ATOM 508 HB2 PHE A 36 -4.069 3.787 -5.009 1.00 0.00 H ATOM 509 HB3 PHE A 36 -2.679 3.092 -5.875 1.00 0.00 H ATOM 510 HD2 PHE A 36 -3.968 6.060 -4.094 1.00 0.00 H ATOM 511 HE2 PHE A 36 -2.492 7.784 -3.095 1.00 0.00 H ATOM 512 HZ PHE A 36 -0.046 7.763 -3.580 1.00 0.00 H ATOM 513 HE1 PHE A 36 0.904 5.969 -5.025 1.00 0.00 H ATOM 514 HD1 PHE A 36 -0.583 4.246 -6.009 1.00 0.00 H ATOM 515 H PHE A 36 -5.540 5.613 -6.393 1.00 0.00 H ATOM 516 N GLN A 37 -4.277 2.354 -8.193 1.00 29.98 N ATOM 517 CA GLN A 37 -5.067 1.308 -8.817 1.00 30.39 C ATOM 518 C GLN A 37 -4.532 -0.041 -8.384 1.00 30.18 C ATOM 519 O GLN A 37 -3.329 -0.285 -8.454 1.00 30.38 O ATOM 520 CB GLN A 37 -4.944 1.416 -10.336 1.00 29.85 C ATOM 521 CG GLN A 37 -5.626 0.306 -11.101 1.00 29.73 C ATOM 522 CD GLN A 37 -5.347 0.375 -12.595 1.00 31.73 C ATOM 523 OE1 GLN A 37 -4.191 0.300 -13.028 1.00 33.35 O ATOM 524 NE2 GLN A 37 -6.400 0.526 -13.391 1.00 30.83 N ATOM 525 HA GLN A 37 -6.110 1.414 -8.520 1.00 0.00 H ATOM 526 HB2 GLN A 37 -5.384 2.364 -10.647 1.00 0.00 H ATOM 527 HB3 GLN A 37 -3.885 1.406 -10.594 1.00 0.00 H ATOM 528 HG2 GLN A 37 -5.269 -0.652 -10.722 1.00 0.00 H ATOM 529 HG3 GLN A 37 -6.702 0.380 -10.942 1.00 0.00 H ATOM 530 HE22 GLN A 37 -7.355 0.585 -12.984 1.00 0.00 H ATOM 531 HE21 GLN A 37 -6.269 0.586 -14.421 1.00 0.00 H ATOM 532 H GLN A 37 -3.241 2.313 -8.270 1.00 0.00 H ATOM 533 N GLN A 38 -5.405 -0.926 -7.934 1.00 36.88 N ATOM 534 CA GLN A 38 -4.963 -2.287 -7.707 1.00 37.51 C ATOM 535 C GLN A 38 -5.854 -3.277 -8.430 1.00 38.75 C ATOM 536 O GLN A 38 -7.004 -3.481 -8.053 1.00 39.83 O ATOM 537 CB GLN A 38 -4.864 -2.629 -6.224 1.00 39.32 C ATOM 538 CG GLN A 38 -4.106 -3.931 -6.014 1.00 43.72 C ATOM 539 CD GLN A 38 -3.607 -4.127 -4.590 1.00 47.70 C ATOM 540 OE1 GLN A 38 -3.947 -3.361 -3.671 1.00 49.44 O ATOM 541 NE2 GLN A 38 -2.790 -5.168 -4.398 1.00 45.33 N ATOM 542 HA GLN A 38 -3.956 -2.362 -8.119 1.00 0.00 H ATOM 543 HB2 GLN A 38 -4.341 -1.825 -5.707 1.00 0.00 H ATOM 544 HB3 GLN A 38 -5.869 -2.731 -5.814 1.00 0.00 H ATOM 545 HG2 GLN A 38 -4.769 -4.759 -6.263 1.00 0.00 H ATOM 546 HG3 GLN A 38 -3.247 -3.941 -6.684 1.00 0.00 H ATOM 547 HE22 GLN A 38 -2.533 -5.782 -5.197 1.00 0.00 H ATOM 548 HE21 GLN A 38 -2.411 -5.364 -3.449 1.00 0.00 H ATOM 549 H GLN A 38 -6.390 -0.651 -7.747 1.00 0.00 H ATOM 550 N LYS A 39 -5.318 -3.863 -9.493 1.00 31.78 N ATOM 551 CA LYS A 39 -6.013 -4.909 -10.226 1.00 38.38 C ATOM 552 C LYS A 39 -5.879 -6.217 -9.458 1.00 38.76 C ATOM 553 O LYS A 39 -4.918 -6.406 -8.695 1.00 37.69 O ATOM 554 CB LYS A 39 -5.440 -5.048 -11.635 1.00 35.82 C ATOM 555 CG LYS A 39 -5.700 -3.824 -12.501 1.00 37.76 C ATOM 556 CD LYS A 39 -4.687 -3.705 -13.626 1.00 33.66 C ATOM 557 CE LYS A 39 -4.971 -2.523 -14.522 1.00 35.24 C ATOM 558 NZ LYS A 39 -4.309 -2.644 -15.871 1.00 36.71 N ATOM 559 HA LYS A 39 -7.068 -4.651 -10.322 1.00 0.00 H ATOM 560 HB2 LYS A 39 -4.363 -5.199 -11.560 1.00 0.00 H ATOM 561 HB3 LYS A 39 -5.895 -5.916 -12.112 1.00 0.00 H ATOM 562 HG2 LYS A 39 -6.698 -3.901 -12.931 1.00 0.00 H ATOM 563 HG3 LYS A 39 -5.642 -2.932 -11.878 1.00 0.00 H ATOM 564 HD2 LYS A 39 -3.693 -3.588 -13.194 1.00 0.00 H ATOM 565 HD3 LYS A 39 -4.717 -4.616 -14.224 1.00 0.00 H ATOM 566 HE2 LYS A 39 -4.606 -1.619 -14.034 1.00 0.00 H ATOM 567 HE3 LYS A 39 -6.049 -2.446 -14.667 1.00 0.00 H ATOM 568 HZ1 LYS A 39 -3.279 -2.709 -15.746 1.00 0.00 H ATOM 569 HZ2 LYS A 39 -4.656 -3.499 -16.351 1.00 0.00 H ATOM 570 HZ3 LYS A 39 -4.537 -1.807 -16.444 1.00 0.00 H ATOM 571 H LYS A 39 -4.374 -3.566 -9.811 1.00 0.00 H ATOM 572 N PRO A 40 -6.853 -7.121 -9.633 1.00 46.06 N ATOM 573 CA PRO A 40 -6.772 -8.386 -8.885 1.00 45.66 C ATOM 574 C PRO A 40 -5.488 -9.155 -9.210 1.00 44.70 C ATOM 575 O PRO A 40 -5.158 -9.372 -10.386 1.00 48.42 O ATOM 576 CB PRO A 40 -8.039 -9.148 -9.308 1.00 43.92 C ATOM 577 CG PRO A 40 -8.585 -8.408 -10.511 1.00 45.47 C ATOM 578 CD PRO A 40 -8.097 -6.991 -10.414 1.00 45.38 C ATOM 579 HA PRO A 40 -6.728 -8.236 -7.806 1.00 0.00 H ATOM 580 HD3 PRO A 40 -7.898 -6.576 -11.402 1.00 0.00 H ATOM 581 HD2 PRO A 40 -8.821 -6.362 -9.896 1.00 0.00 H ATOM 582 HG3 PRO A 40 -9.675 -8.430 -10.502 1.00 0.00 H ATOM 583 HG2 PRO A 40 -8.221 -8.867 -11.430 1.00 0.00 H ATOM 584 HB2 PRO A 40 -7.793 -10.176 -9.574 1.00 0.00 H ATOM 585 HB3 PRO A 40 -8.769 -9.149 -8.499 1.00 0.00 H ATOM 586 N GLY A 41 -4.750 -9.499 -8.160 1.00 44.31 N ATOM 587 CA GLY A 41 -3.517 -10.253 -8.270 1.00 45.74 C ATOM 588 C GLY A 41 -2.277 -9.415 -8.537 1.00 47.16 C ATOM 589 O GLY A 41 -1.150 -9.933 -8.565 1.00 45.58 O ATOM 590 HA3 GLY A 41 -3.627 -10.966 -9.087 1.00 0.00 H ATOM 591 HA2 GLY A 41 -3.366 -10.794 -7.336 1.00 0.00 H ATOM 592 H GLY A 41 -5.073 -9.213 -7.213 1.00 0.00 H ATOM 593 N GLN A 42 -2.472 -8.114 -8.721 1.00 46.29 N ATOM 594 CA GLN A 42 -1.366 -7.246 -9.101 1.00 43.49 C ATOM 595 C GLN A 42 -0.878 -6.315 -7.984 1.00 45.92 C ATOM 596 O GLN A 42 -1.577 -6.055 -7.003 1.00 47.90 O ATOM 597 CB GLN A 42 -1.749 -6.443 -10.338 1.00 44.76 C ATOM 598 CG GLN A 42 -2.104 -7.328 -11.521 1.00 45.12 C ATOM 599 CD GLN A 42 -0.884 -8.060 -12.086 1.00 48.89 C ATOM 600 OE1 GLN A 42 -0.652 -9.238 -11.778 1.00 50.77 O ATOM 601 NE2 GLN A 42 -0.091 -7.358 -12.909 1.00 46.87 N ATOM 602 HA GLN A 42 -0.522 -7.901 -9.317 1.00 0.00 H ATOM 603 HB2 GLN A 42 -2.610 -5.819 -10.097 1.00 0.00 H ATOM 604 HB3 GLN A 42 -0.908 -5.808 -10.617 1.00 0.00 H ATOM 605 HG2 GLN A 42 -2.838 -8.067 -11.199 1.00 0.00 H ATOM 606 HG3 GLN A 42 -2.536 -6.707 -12.306 1.00 0.00 H ATOM 607 HE22 GLN A 42 -0.325 -6.371 -13.140 1.00 0.00 H ATOM 608 HE21 GLN A 42 0.758 -7.800 -13.316 1.00 0.00 H ATOM 609 H GLN A 42 -3.422 -7.712 -8.593 1.00 0.00 H ATOM 610 N ALA A 43 0.345 -5.838 -8.153 1.00 35.55 N ATOM 611 CA ALA A 43 0.922 -4.826 -7.303 1.00 35.23 C ATOM 612 C ALA A 43 0.154 -3.515 -7.531 1.00 36.73 C ATOM 613 O ALA A 43 -0.293 -3.263 -8.635 1.00 34.74 O ATOM 614 CB ALA A 43 2.387 -4.664 -7.667 1.00 32.65 C ATOM 615 HA ALA A 43 0.852 -5.104 -6.251 1.00 0.00 H ATOM 616 HB1 ALA A 43 2.904 -5.612 -7.519 1.00 0.00 H ATOM 617 HB2 ALA A 43 2.469 -4.363 -8.711 1.00 0.00 H ATOM 618 HB3 ALA A 43 2.836 -3.901 -7.031 1.00 0.00 H ATOM 619 H ALA A 43 0.918 -6.211 -8.937 1.00 0.00 H ATOM 620 N PRO A 44 -0.021 -2.687 -6.481 1.00 31.08 N ATOM 621 CA PRO A 44 -0.690 -1.399 -6.707 1.00 28.18 C ATOM 622 C PRO A 44 0.171 -0.485 -7.581 1.00 27.85 C ATOM 623 O PRO A 44 1.398 -0.509 -7.418 1.00 28.66 O ATOM 624 CB PRO A 44 -0.869 -0.830 -5.299 1.00 28.85 C ATOM 625 CG PRO A 44 0.149 -1.534 -4.437 1.00 27.89 C ATOM 626 CD PRO A 44 0.327 -2.912 -5.068 1.00 30.97 C ATOM 627 HA PRO A 44 -1.638 -1.496 -7.236 1.00 0.00 H ATOM 628 HD3 PRO A 44 1.356 -3.257 -4.969 1.00 0.00 H ATOM 629 HD2 PRO A 44 -0.344 -3.640 -4.612 1.00 0.00 H ATOM 630 HG3 PRO A 44 -0.215 -1.626 -3.414 1.00 0.00 H ATOM 631 HG2 PRO A 44 1.093 -0.989 -4.438 1.00 0.00 H ATOM 632 HB2 PRO A 44 -0.689 0.245 -5.298 1.00 0.00 H ATOM 633 HB3 PRO A 44 -1.877 -1.028 -4.935 1.00 0.00 H ATOM 634 N ARG A 45 -0.454 0.222 -8.534 1.00 34.69 N ATOM 635 CA ARG A 45 0.192 1.246 -9.351 1.00 34.61 C ATOM 636 C ARG A 45 -0.269 2.639 -8.910 1.00 32.80 C ATOM 637 O ARG A 45 -1.423 2.832 -8.529 1.00 33.63 O ATOM 638 CB ARG A 45 -0.202 1.141 -10.841 1.00 36.35 C ATOM 639 CG ARG A 45 -0.191 -0.219 -11.541 1.00 41.06 C ATOM 640 CD ARG A 45 1.064 -1.019 -11.304 1.00 38.55 C ATOM 641 NE ARG A 45 1.382 -1.953 -12.390 1.00 42.22 N ATOM 642 CZ ARG A 45 1.351 -3.292 -12.298 1.00 45.39 C ATOM 643 NH1 ARG A 45 1.001 -3.890 -11.155 1.00 41.65 N ATOM 644 NH2 ARG A 45 1.682 -4.043 -13.357 1.00 38.72 N ATOM 645 HA ARG A 45 1.264 1.095 -9.225 1.00 0.00 H ATOM 646 HB2 ARG A 45 -1.216 1.531 -10.927 1.00 0.00 H ATOM 647 HB3 ARG A 45 0.482 1.785 -11.394 1.00 0.00 H ATOM 648 HG2 ARG A 45 -1.041 -0.798 -11.179 1.00 0.00 H ATOM 649 HG3 ARG A 45 -0.295 -0.054 -12.613 1.00 0.00 H ATOM 650 HD2 ARG A 45 0.940 -1.590 -10.384 1.00 0.00 H ATOM 651 HD3 ARG A 45 1.898 -0.326 -11.190 1.00 0.00 H ATOM 652 HE ARG A 45 1.654 -1.544 -13.307 1.00 0.00 H ATOM 653 HH12 ARG A 45 0.981 -4.928 -11.096 1.00 0.00 H ATOM 654 HH11 ARG A 45 0.749 -3.317 -10.324 1.00 0.00 H ATOM 655 HH22 ARG A 45 1.658 -5.080 -13.287 1.00 0.00 H ATOM 656 HH21 ARG A 45 1.963 -3.589 -14.249 1.00 0.00 H ATOM 657 H ARG A 45 -1.462 0.029 -8.702 1.00 0.00 H ATOM 658 N ALA A 46 0.601 3.632 -9.030 1.00 28.44 N ATOM 659 CA ALA A 46 0.153 5.027 -8.912 1.00 30.24 C ATOM 660 C ALA A 46 -0.400 5.504 -10.245 1.00 29.44 C ATOM 661 O ALA A 46 0.120 5.126 -11.288 1.00 32.08 O ATOM 662 CB ALA A 46 1.291 5.921 -8.448 1.00 29.16 C ATOM 663 HA ALA A 46 -0.638 5.081 -8.164 1.00 0.00 H ATOM 664 HB1 ALA A 46 1.645 5.581 -7.475 1.00 0.00 H ATOM 665 HB2 ALA A 46 2.107 5.873 -9.170 1.00 0.00 H ATOM 666 HB3 ALA A 46 0.935 6.948 -8.368 1.00 0.00 H ATOM 667 H ALA A 46 1.604 3.423 -9.208 1.00 0.00 H ATOM 668 N LEU A 47 -1.462 6.310 -10.215 1.00 36.81 N ATOM 669 CA LEU A 47 -2.147 6.785 -11.433 1.00 34.25 C ATOM 670 C LEU A 47 -2.193 8.302 -11.592 1.00 36.31 C ATOM 671 O LEU A 47 -1.954 8.831 -12.670 1.00 35.40 O ATOM 672 CB LEU A 47 -3.590 6.321 -11.429 1.00 36.41 C ATOM 673 CG LEU A 47 -3.921 4.912 -11.882 1.00 40.43 C ATOM 674 CD1 LEU A 47 -5.398 4.909 -12.253 1.00 39.23 C ATOM 675 CD2 LEU A 47 -3.042 4.526 -13.061 1.00 37.80 C ATOM 676 HA LEU A 47 -1.560 6.370 -12.253 1.00 0.00 H ATOM 677 HB2 LEU A 47 -3.952 6.419 -10.406 1.00 0.00 H ATOM 678 HB3 LEU A 47 -4.144 7.001 -12.076 1.00 0.00 H ATOM 679 HG LEU A 47 -3.732 4.179 -11.098 1.00 0.00 H ATOM 680 HD21 LEU A 47 -3.216 5.219 -13.884 1.00 0.00 H ATOM 681 HD22 LEU A 47 -1.995 4.571 -12.762 1.00 0.00 H ATOM 682 HD23 LEU A 47 -3.287 3.513 -13.379 1.00 0.00 H ATOM 683 HD11 LEU A 47 -5.991 5.187 -11.381 1.00 0.00 H ATOM 684 HD12 LEU A 47 -5.571 5.626 -13.055 1.00 0.00 H ATOM 685 HD13 LEU A 47 -5.685 3.912 -12.587 1.00 0.00 H ATOM 686 H LEU A 47 -1.824 6.618 -9.290 1.00 0.00 H ATOM 687 N ILE A 48 -2.547 8.990 -10.507 1.00 26.79 N ATOM 688 CA ILE A 48 -2.763 10.421 -10.518 1.00 24.43 C ATOM 689 C ILE A 48 -2.103 10.962 -9.273 1.00 26.92 C ATOM 690 O ILE A 48 -2.093 10.288 -8.244 1.00 28.05 O ATOM 691 CB ILE A 48 -4.271 10.749 -10.452 1.00 25.99 C ATOM 692 CG1 ILE A 48 -5.010 10.122 -11.635 1.00 25.87 C ATOM 693 CG2 ILE A 48 -4.506 12.273 -10.421 1.00 25.39 C ATOM 694 CD1 ILE A 48 -4.763 10.844 -12.977 1.00 24.78 C ATOM 695 HA ILE A 48 -2.357 10.857 -11.431 1.00 0.00 H ATOM 696 HB ILE A 48 -4.666 10.325 -9.529 1.00 0.00 H ATOM 697 HG12 ILE A 48 -4.683 9.087 -11.736 1.00 0.00 H ATOM 698 HG13 ILE A 48 -6.079 10.145 -11.424 1.00 0.00 H ATOM 699 HD11 ILE A 48 -5.096 11.879 -12.898 1.00 0.00 H ATOM 700 HD12 ILE A 48 -3.699 10.820 -13.210 1.00 0.00 H ATOM 701 HD13 ILE A 48 -5.321 10.341 -13.767 1.00 0.00 H ATOM 702 HG21 ILE A 48 -4.017 12.697 -9.544 1.00 0.00 H ATOM 703 HG22 ILE A 48 -4.090 12.722 -11.323 1.00 0.00 H ATOM 704 HG23 ILE A 48 -5.576 12.473 -10.375 1.00 0.00 H ATOM 705 H ILE A 48 -2.674 8.475 -9.612 1.00 0.00 H ATOM 706 N PHE A 49 -1.515 12.148 -9.373 1.00 26.01 N ATOM 707 CA PHE A 49 -0.983 12.854 -8.217 1.00 26.88 C ATOM 708 C PHE A 49 -1.267 14.309 -8.437 1.00 29.03 C ATOM 709 O PHE A 49 -1.611 14.705 -9.551 1.00 29.35 O ATOM 710 CB PHE A 49 0.530 12.646 -8.052 1.00 28.40 C ATOM 711 CG PHE A 49 1.355 13.130 -9.226 1.00 28.93 C ATOM 712 CD1 PHE A 49 1.527 12.333 -10.351 1.00 28.01 C ATOM 713 CD2 PHE A 49 1.971 14.368 -9.199 1.00 29.63 C ATOM 714 CE1 PHE A 49 2.303 12.771 -11.424 1.00 27.46 C ATOM 715 CE2 PHE A 49 2.736 14.809 -10.277 1.00 28.57 C ATOM 716 CZ PHE A 49 2.911 14.006 -11.378 1.00 25.77 C ATOM 717 HA PHE A 49 -1.451 12.473 -7.309 1.00 0.00 H ATOM 718 HB2 PHE A 49 0.854 13.184 -7.161 1.00 0.00 H ATOM 719 HB3 PHE A 49 0.716 11.580 -7.919 1.00 0.00 H ATOM 720 HD2 PHE A 49 1.857 15.007 -8.323 1.00 0.00 H ATOM 721 HE2 PHE A 49 3.198 15.796 -10.247 1.00 0.00 H ATOM 722 HZ PHE A 49 3.528 14.344 -12.211 1.00 0.00 H ATOM 723 HE1 PHE A 49 2.428 12.135 -12.300 1.00 0.00 H ATOM 724 HD1 PHE A 49 1.050 11.354 -10.396 1.00 0.00 H ATOM 725 H PHE A 49 -1.432 12.589 -10.311 1.00 0.00 H ATOM 726 N GLU A 50 -1.105 15.097 -7.380 1.00 41.07 N ATOM 727 CA GLU A 50 -1.417 16.517 -7.396 1.00 40.94 C ATOM 728 C GLU A 50 -2.759 16.778 -8.082 1.00 40.83 C ATOM 729 O GLU A 50 -2.856 17.583 -9.009 1.00 39.34 O ATOM 730 CB GLU A 50 -0.293 17.316 -8.052 1.00 39.68 C ATOM 731 CG GLU A 50 -0.411 18.799 -7.822 1.00 42.46 C ATOM 732 CD GLU A 50 0.736 19.587 -8.417 1.00 47.33 C ATOM 733 OE1 GLU A 50 1.459 19.061 -9.303 1.00 44.19 O ATOM 734 OE2 GLU A 50 0.917 20.749 -7.982 1.00 51.12 O ATOM 735 HA GLU A 50 -1.504 16.854 -6.363 1.00 0.00 H ATOM 736 HB2 GLU A 50 0.659 16.976 -7.644 1.00 0.00 H ATOM 737 HB3 GLU A 50 -0.314 17.128 -9.126 1.00 0.00 H ATOM 738 HG2 GLU A 50 -1.341 19.147 -8.272 1.00 0.00 H ATOM 739 HG3 GLU A 50 -0.437 18.982 -6.748 1.00 0.00 H ATOM 740 H GLU A 50 -0.738 14.679 -6.501 1.00 0.00 H ATOM 741 N THR A 51 -3.782 16.059 -7.625 1.00 32.56 N ATOM 742 CA THR A 51 -5.157 16.179 -8.138 1.00 32.36 C ATOM 743 C THR A 51 -5.387 15.701 -9.576 1.00 30.91 C ATOM 744 O THR A 51 -6.347 14.974 -9.842 1.00 31.24 O ATOM 745 CB THR A 51 -5.719 17.612 -8.000 1.00 31.99 C ATOM 746 OG1 THR A 51 -5.536 18.079 -6.660 1.00 33.08 O ATOM 747 CG2 THR A 51 -7.212 17.638 -8.348 1.00 33.24 C ATOM 748 HA THR A 51 -5.700 15.489 -7.491 1.00 0.00 H ATOM 749 HB THR A 51 -5.182 18.262 -8.691 1.00 0.00 H ATOM 750 HG1 THR A 51 -4.570 18.084 -6.442 1.00 0.00 H ATOM 751 HG23 THR A 51 -7.352 17.282 -9.369 1.00 0.00 H ATOM 752 HG21 THR A 51 -7.756 16.992 -7.659 1.00 0.00 H ATOM 753 HG22 THR A 51 -7.586 18.658 -8.263 1.00 0.00 H ATOM 754 H THR A 51 -3.600 15.375 -6.863 1.00 0.00 H ATOM 755 N ASP A 52 -4.536 16.116 -10.507 1.00 36.94 N ATOM 756 CA ASP A 52 -4.820 15.873 -11.913 1.00 35.46 C ATOM 757 C ASP A 52 -3.611 15.593 -12.786 1.00 34.90 C ATOM 758 O ASP A 52 -3.745 15.514 -14.011 1.00 34.98 O ATOM 759 CB ASP A 52 -5.610 17.039 -12.507 1.00 36.39 C ATOM 760 CG ASP A 52 -4.832 18.356 -12.492 1.00 38.58 C ATOM 761 OD1 ASP A 52 -3.644 18.372 -12.098 1.00 39.52 O ATOM 762 OD2 ASP A 52 -5.420 19.395 -12.886 1.00 43.14 O ATOM 763 HA ASP A 52 -5.406 14.954 -11.916 1.00 0.00 H ATOM 764 HB2 ASP A 52 -5.864 16.797 -13.539 1.00 0.00 H ATOM 765 HB3 ASP A 52 -6.525 17.169 -11.929 1.00 0.00 H ATOM 766 H ASP A 52 -3.666 16.615 -10.231 1.00 0.00 H ATOM 767 N LYS A 53 -2.438 15.441 -12.183 1.00 35.58 N ATOM 768 CA LYS A 53 -1.256 15.095 -12.968 1.00 34.88 C ATOM 769 C LYS A 53 -1.186 13.592 -13.253 1.00 37.02 C ATOM 770 O LYS A 53 -1.532 12.777 -12.409 1.00 36.13 O ATOM 771 CB LYS A 53 0.011 15.589 -12.284 1.00 36.41 C ATOM 772 CG LYS A 53 0.043 17.113 -12.105 1.00 39.54 C ATOM 773 CD LYS A 53 -0.199 17.811 -13.430 1.00 37.82 C ATOM 774 CE LYS A 53 -0.053 19.330 -13.324 1.00 41.67 C ATOM 775 NZ LYS A 53 -0.805 19.832 -12.124 1.00 48.54 N ATOM 776 HA LYS A 53 -1.339 15.600 -13.930 1.00 0.00 H ATOM 777 HB2 LYS A 53 0.080 15.122 -11.301 1.00 0.00 H ATOM 778 HB3 LYS A 53 0.869 15.292 -12.887 1.00 0.00 H ATOM 779 HG2 LYS A 53 -0.732 17.407 -11.398 1.00 0.00 H ATOM 780 HG3 LYS A 53 1.018 17.408 -11.717 1.00 0.00 H ATOM 781 HD2 LYS A 53 0.522 17.440 -14.158 1.00 0.00 H ATOM 782 HD3 LYS A 53 -1.209 17.579 -13.769 1.00 0.00 H ATOM 783 HE2 LYS A 53 -0.455 19.796 -14.224 1.00 0.00 H ATOM 784 HE3 LYS A 53 1.002 19.586 -13.223 1.00 0.00 H ATOM 785 HZ1 LYS A 53 -1.812 19.589 -12.221 1.00 0.00 H ATOM 786 HZ2 LYS A 53 -0.421 19.389 -11.265 1.00 0.00 H ATOM 787 HZ3 LYS A 53 -0.701 20.865 -12.058 1.00 0.00 H ATOM 788 H LYS A 53 -2.361 15.568 -11.154 1.00 0.00 H ATOM 789 N LYS A 54 -0.770 13.233 -14.463 1.00 37.07 N ATOM 790 CA LYS A 54 -0.681 11.842 -14.851 1.00 34.92 C ATOM 791 C LYS A 54 0.773 11.415 -14.917 1.00 36.93 C ATOM 792 O LYS A 54 1.666 12.243 -15.105 1.00 35.36 O ATOM 793 CB LYS A 54 -1.325 11.628 -16.219 1.00 34.79 C ATOM 794 CG LYS A 54 -2.805 11.965 -16.293 1.00 37.31 C ATOM 795 CD LYS A 54 -3.381 11.679 -17.691 1.00 36.53 C ATOM 796 CE LYS A 54 -4.600 12.565 -17.939 1.00 42.72 C ATOM 797 NZ LYS A 54 -5.498 12.146 -19.072 1.00 43.12 N ATOM 798 HA LYS A 54 -1.208 11.244 -14.107 1.00 0.00 H ATOM 799 HB2 LYS A 54 -0.799 12.252 -16.942 1.00 0.00 H ATOM 800 HB3 LYS A 54 -1.203 10.579 -16.490 1.00 0.00 H ATOM 801 HG2 LYS A 54 -3.342 11.364 -15.559 1.00 0.00 H ATOM 802 HG3 LYS A 54 -2.939 13.022 -16.064 1.00 0.00 H ATOM 803 HD2 LYS A 54 -2.622 11.888 -18.445 1.00 0.00 H ATOM 804 HD3 LYS A 54 -3.676 10.631 -17.754 1.00 0.00 H ATOM 805 HE2 LYS A 54 -4.243 13.573 -18.151 1.00 0.00 H ATOM 806 HE3 LYS A 54 -5.196 12.576 -17.027 1.00 0.00 H ATOM 807 HZ1 LYS A 54 -4.956 12.143 -19.960 1.00 0.00 H ATOM 808 HZ2 LYS A 54 -5.866 11.191 -18.886 1.00 0.00 H ATOM 809 HZ3 LYS A 54 -6.290 12.815 -19.150 1.00 0.00 H ATOM 810 H LYS A 54 -0.502 13.969 -15.147 1.00 0.00 H ATOM 811 N TYR A 55 1.005 10.116 -14.755 1.00 29.40 N ATOM 812 CA TYR A 55 2.321 9.536 -14.982 1.00 29.27 C ATOM 813 C TYR A 55 2.397 9.159 -16.458 1.00 29.93 C ATOM 814 O TYR A 55 1.375 9.111 -17.145 1.00 29.52 O ATOM 815 CB TYR A 55 2.530 8.292 -14.098 1.00 29.51 C ATOM 816 CG TYR A 55 2.460 8.591 -12.619 1.00 29.40 C ATOM 817 CD1 TYR A 55 3.596 8.971 -11.912 1.00 28.12 C ATOM 818 CD2 TYR A 55 1.252 8.515 -11.933 1.00 29.96 C ATOM 819 CE1 TYR A 55 3.530 9.266 -10.576 1.00 30.07 C ATOM 820 CE2 TYR A 55 1.172 8.797 -10.579 1.00 29.52 C ATOM 821 CZ TYR A 55 2.316 9.176 -9.905 1.00 31.29 C ATOM 822 OH TYR A 55 2.248 9.465 -8.561 1.00 30.67 O ATOM 823 HA TYR A 55 3.103 10.250 -14.723 1.00 0.00 H ATOM 824 HB3 TYR A 55 3.510 7.870 -14.320 1.00 0.00 H ATOM 825 HB2 TYR A 55 1.758 7.561 -14.340 1.00 0.00 H ATOM 826 HD2 TYR A 55 0.349 8.227 -12.472 1.00 0.00 H ATOM 827 HE2 TYR A 55 0.220 8.721 -10.054 1.00 0.00 H ATOM 828 HE1 TYR A 55 4.429 9.571 -10.040 1.00 0.00 H ATOM 829 HD1 TYR A 55 4.553 9.035 -12.429 1.00 0.00 H ATOM 830 HH TYR A 55 1.928 8.668 -8.069 1.00 0.00 H ATOM 831 H TYR A 55 0.224 9.497 -14.458 1.00 0.00 H ATOM 832 N SER A 56 3.595 8.879 -16.951 1.00 32.58 N ATOM 833 CA SER A 56 3.735 8.487 -18.345 1.00 31.59 C ATOM 834 C SER A 56 2.982 7.187 -18.643 1.00 33.40 C ATOM 835 O SER A 56 2.638 6.918 -19.795 1.00 35.27 O ATOM 836 CB SER A 56 5.226 8.351 -18.733 1.00 28.98 C ATOM 837 OG SER A 56 5.870 7.367 -17.953 1.00 34.87 O ATOM 838 HA SER A 56 3.290 9.276 -18.951 1.00 0.00 H ATOM 839 HB2 SER A 56 5.723 9.309 -18.578 1.00 0.00 H ATOM 840 HB3 SER A 56 5.296 8.073 -19.785 1.00 0.00 H ATOM 841 HG SER A 56 6.820 7.303 -18.223 1.00 0.00 H ATOM 842 H SER A 56 4.435 8.940 -16.341 1.00 0.00 H ATOM 843 N TRP A 57 2.731 6.373 -17.620 1.00 28.83 N ATOM 844 CA TRP A 57 2.037 5.109 -17.850 1.00 27.15 C ATOM 845 C TRP A 57 0.532 5.178 -17.552 1.00 28.99 C ATOM 846 O TRP A 57 -0.157 4.157 -17.635 1.00 30.25 O ATOM 847 CB TRP A 57 2.657 3.999 -17.012 1.00 29.45 C ATOM 848 CG TRP A 57 2.652 4.328 -15.531 1.00 31.81 C ATOM 849 CD1 TRP A 57 1.588 4.235 -14.666 1.00 28.62 C ATOM 850 CD2 TRP A 57 3.762 4.811 -14.756 1.00 29.68 C ATOM 851 NE1 TRP A 57 1.977 4.639 -13.401 1.00 30.77 N ATOM 852 CE2 TRP A 57 3.303 4.997 -13.435 1.00 30.05 C ATOM 853 CE3 TRP A 57 5.098 5.108 -15.054 1.00 30.05 C ATOM 854 CZ2 TRP A 57 4.138 5.457 -12.412 1.00 30.35 C ATOM 855 CZ3 TRP A 57 5.918 5.573 -14.043 1.00 31.73 C ATOM 856 CH2 TRP A 57 5.434 5.738 -12.735 1.00 31.60 C ATOM 857 HA TRP A 57 2.152 4.895 -18.913 1.00 0.00 H ATOM 858 HB2 TRP A 57 2.090 3.081 -17.170 1.00 0.00 H ATOM 859 HB3 TRP A 57 3.687 3.849 -17.335 1.00 0.00 H ATOM 860 HE1 TRP A 57 1.365 4.667 -12.561 1.00 0.00 H ATOM 861 HD1 TRP A 57 0.588 3.894 -14.936 1.00 0.00 H ATOM 862 HZ2 TRP A 57 3.768 5.586 -11.395 1.00 0.00 H ATOM 863 HH2 TRP A 57 6.109 6.099 -11.959 1.00 0.00 H ATOM 864 HZ3 TRP A 57 6.957 5.816 -14.265 1.00 0.00 H ATOM 865 HE3 TRP A 57 5.484 4.975 -16.065 1.00 0.00 H ATOM 866 H TRP A 57 3.029 6.637 -16.659 1.00 0.00 H ATOM 867 N THR A 58 0.021 6.349 -17.184 1.00 26.50 N ATOM 868 CA THR A 58 -1.408 6.477 -16.912 1.00 29.97 C ATOM 869 C THR A 58 -2.167 6.608 -18.227 1.00 30.39 C ATOM 870 O THR A 58 -1.918 7.543 -18.986 1.00 28.76 O ATOM 871 CB THR A 58 -1.736 7.738 -16.080 1.00 31.29 C ATOM 872 OG1 THR A 58 -0.962 7.753 -14.867 1.00 31.67 O ATOM 873 CG2 THR A 58 -3.213 7.777 -15.757 1.00 28.51 C ATOM 874 HA THR A 58 -1.701 5.588 -16.354 1.00 0.00 H ATOM 875 HB THR A 58 -1.480 8.620 -16.667 1.00 0.00 H ATOM 876 HG1 THR A 58 -1.183 8.565 -14.346 1.00 0.00 H ATOM 877 HG23 THR A 58 -3.787 7.765 -16.684 1.00 0.00 H ATOM 878 HG21 THR A 58 -3.475 6.907 -15.155 1.00 0.00 H ATOM 879 HG22 THR A 58 -3.438 8.687 -15.200 1.00 0.00 H ATOM 880 H THR A 58 0.642 7.178 -17.089 1.00 0.00 H ATOM 881 N PRO A 59 -3.089 5.672 -18.513 1.00 32.77 N ATOM 882 CA PRO A 59 -3.851 5.766 -19.767 1.00 30.78 C ATOM 883 C PRO A 59 -4.587 7.088 -19.818 1.00 34.28 C ATOM 884 O PRO A 59 -5.088 7.529 -18.779 1.00 35.70 O ATOM 885 CB PRO A 59 -4.838 4.604 -19.658 1.00 31.96 C ATOM 886 CG PRO A 59 -4.092 3.575 -18.823 1.00 31.43 C ATOM 887 CD PRO A 59 -3.354 4.415 -17.790 1.00 32.48 C ATOM 888 HA PRO A 59 -3.233 5.717 -20.664 1.00 0.00 H ATOM 889 HD3 PRO A 59 -3.975 4.591 -16.912 1.00 0.00 H ATOM 890 HD2 PRO A 59 -2.424 3.934 -17.485 1.00 0.00 H ATOM 891 HG3 PRO A 59 -3.391 3.010 -19.437 1.00 0.00 H ATOM 892 HG2 PRO A 59 -4.787 2.888 -18.341 1.00 0.00 H ATOM 893 HB2 PRO A 59 -5.755 4.918 -19.160 1.00 0.00 H ATOM 894 HB3 PRO A 59 -5.079 4.205 -20.643 1.00 0.00 H ATOM 895 N GLY A 60 -4.632 7.723 -20.986 1.00 29.55 N ATOM 896 CA GLY A 60 -5.251 9.027 -21.125 1.00 29.79 C ATOM 897 C GLY A 60 -6.742 9.037 -20.804 1.00 34.23 C ATOM 898 O GLY A 60 -7.344 10.101 -20.590 1.00 34.44 O ATOM 899 HA3 GLY A 60 -5.118 9.363 -22.153 1.00 0.00 H ATOM 900 HA2 GLY A 60 -4.749 9.720 -20.450 1.00 0.00 H ATOM 901 H GLY A 60 -4.211 7.272 -21.823 1.00 0.00 H ATOM 902 N ARG A 61 -7.356 7.859 -20.758 1.00 29.24 N ATOM 903 CA ARG A 61 -8.763 7.787 -20.401 1.00 31.62 C ATOM 904 C ARG A 61 -8.992 7.967 -18.873 1.00 35.00 C ATOM 905 O ARG A 61 -10.131 7.990 -18.394 1.00 32.86 O ATOM 906 CB ARG A 61 -9.390 6.497 -20.936 1.00 31.06 C ATOM 907 CG ARG A 61 -8.828 5.247 -20.319 1.00 33.05 C ATOM 908 CD ARG A 61 -9.380 3.958 -20.958 1.00 31.34 C ATOM 909 NE ARG A 61 -8.889 2.831 -20.172 1.00 31.83 N ATOM 910 CZ ARG A 61 -7.757 2.179 -20.441 1.00 34.94 C ATOM 911 NH1 ARG A 61 -7.032 2.517 -21.510 1.00 30.96 N ATOM 912 NH2 ARG A 61 -7.357 1.180 -19.654 1.00 32.51 N ATOM 913 HA ARG A 61 -9.271 8.624 -20.879 1.00 0.00 H ATOM 914 HB2 ARG A 61 -10.461 6.527 -20.737 1.00 0.00 H ATOM 915 HB3 ARG A 61 -9.223 6.454 -22.012 1.00 0.00 H ATOM 916 HG2 ARG A 61 -7.745 5.257 -20.438 1.00 0.00 H ATOM 917 HG3 ARG A 61 -9.075 5.242 -19.257 1.00 0.00 H ATOM 918 HD2 ARG A 61 -9.031 3.874 -21.987 1.00 0.00 H ATOM 919 HD3 ARG A 61 -10.470 3.974 -20.945 1.00 0.00 H ATOM 920 HE ARG A 61 -9.453 2.519 -19.356 1.00 0.00 H ATOM 921 HH12 ARG A 61 -6.149 2.010 -21.721 1.00 0.00 H ATOM 922 HH11 ARG A 61 -7.350 3.288 -22.132 1.00 0.00 H ATOM 923 HH22 ARG A 61 -6.474 0.673 -19.866 1.00 0.00 H ATOM 924 HH21 ARG A 61 -7.928 0.908 -18.828 1.00 0.00 H ATOM 925 H ARG A 61 -6.830 6.989 -20.977 1.00 0.00 H ATOM 926 N PHE A 62 -7.910 8.111 -18.117 1.00 34.71 N ATOM 927 CA PHE A 62 -8.030 8.495 -16.722 1.00 36.47 C ATOM 928 C PHE A 62 -7.801 9.987 -16.602 1.00 37.65 C ATOM 929 O PHE A 62 -6.857 10.514 -17.176 1.00 36.32 O ATOM 930 CB PHE A 62 -7.021 7.749 -15.846 1.00 32.77 C ATOM 931 CG PHE A 62 -7.307 6.298 -15.725 1.00 32.86 C ATOM 932 CD1 PHE A 62 -8.108 5.825 -14.705 1.00 35.14 C ATOM 933 CD2 PHE A 62 -6.807 5.403 -16.649 1.00 33.44 C ATOM 934 CE1 PHE A 62 -8.396 4.470 -14.600 1.00 35.47 C ATOM 935 CE2 PHE A 62 -7.082 4.061 -16.542 1.00 33.74 C ATOM 936 CZ PHE A 62 -7.879 3.591 -15.525 1.00 34.14 C ATOM 937 HA PHE A 62 -9.030 8.234 -16.376 1.00 0.00 H ATOM 938 HB2 PHE A 62 -6.029 7.871 -16.280 1.00 0.00 H ATOM 939 HB3 PHE A 62 -7.036 8.189 -14.849 1.00 0.00 H ATOM 940 HD2 PHE A 62 -6.189 5.764 -17.471 1.00 0.00 H ATOM 941 HE2 PHE A 62 -6.665 3.364 -17.269 1.00 0.00 H ATOM 942 HZ PHE A 62 -8.101 2.526 -15.451 1.00 0.00 H ATOM 943 HE1 PHE A 62 -9.028 4.105 -13.790 1.00 0.00 H ATOM 944 HD1 PHE A 62 -8.519 6.522 -13.974 1.00 0.00 H ATOM 945 H PHE A 62 -6.969 7.947 -18.528 1.00 0.00 H ATOM 946 N SER A 63 -8.667 10.677 -15.868 1.00 38.83 N ATOM 947 CA SER A 63 -8.348 12.057 -15.519 1.00 41.22 C ATOM 948 C SER A 63 -8.805 12.404 -14.113 1.00 38.15 C ATOM 949 O SER A 63 -9.830 11.921 -13.649 1.00 40.20 O ATOM 950 CB SER A 63 -8.838 13.058 -16.579 1.00 38.91 C ATOM 951 OG SER A 63 -10.167 13.424 -16.364 1.00 41.11 O ATOM 952 HA SER A 63 -7.261 12.143 -15.516 1.00 0.00 H ATOM 953 HB2 SER A 63 -8.752 12.601 -17.565 1.00 0.00 H ATOM 954 HB3 SER A 63 -8.214 13.951 -16.538 1.00 0.00 H ATOM 955 HG SER A 63 -10.252 13.846 -15.472 1.00 0.00 H ATOM 956 H SER A 63 -9.556 10.242 -15.548 1.00 0.00 H ATOM 957 N GLY A 64 -7.992 13.196 -13.425 1.00 38.67 N ATOM 958 CA GLY A 64 -8.264 13.580 -12.055 1.00 38.17 C ATOM 959 C GLY A 64 -8.751 15.007 -12.063 1.00 41.67 C ATOM 960 O GLY A 64 -8.375 15.776 -12.942 1.00 40.18 O ATOM 961 HA3 GLY A 64 -7.354 13.502 -11.460 1.00 0.00 H ATOM 962 HA2 GLY A 64 -9.030 12.929 -11.632 1.00 0.00 H ATOM 963 H GLY A 64 -7.130 13.553 -13.885 1.00 0.00 H ATOM 964 N SER A 65 -9.599 15.359 -11.101 1.00 37.85 N ATOM 965 CA SER A 65 -10.152 16.703 -11.032 1.00 36.34 C ATOM 966 C SER A 65 -10.767 16.958 -9.676 1.00 37.29 C ATOM 967 O SER A 65 -10.928 16.032 -8.879 1.00 36.41 O ATOM 968 CB SER A 65 -11.245 16.876 -12.087 1.00 40.34 C ATOM 969 OG SER A 65 -12.387 16.108 -11.758 1.00 37.81 O ATOM 970 HA SER A 65 -9.338 17.407 -11.208 1.00 0.00 H ATOM 971 HB2 SER A 65 -10.863 16.552 -13.055 1.00 0.00 H ATOM 972 HB3 SER A 65 -11.525 17.928 -12.143 1.00 0.00 H ATOM 973 HG SER A 65 -12.137 15.151 -11.710 1.00 0.00 H ATOM 974 H SER A 65 -9.873 14.659 -10.383 1.00 0.00 H ATOM 975 N LEU A 66 -11.110 18.220 -9.417 1.00 39.99 N ATOM 976 CA LEU A 66 -11.932 18.561 -8.261 1.00 41.86 C ATOM 977 C LEU A 66 -13.351 18.725 -8.745 1.00 43.73 C ATOM 978 O LEU A 66 -13.602 19.361 -9.768 1.00 42.82 O ATOM 979 CB LEU A 66 -11.467 19.853 -7.607 1.00 41.62 C ATOM 980 CG LEU A 66 -10.048 19.794 -7.061 1.00 40.24 C ATOM 981 CD1 LEU A 66 -9.697 21.164 -6.503 1.00 42.02 C ATOM 982 CD2 LEU A 66 -9.971 18.712 -5.992 1.00 38.47 C ATOM 983 HA LEU A 66 -11.854 17.770 -7.515 1.00 0.00 H ATOM 984 HB2 LEU A 66 -11.516 20.650 -8.349 1.00 0.00 H ATOM 985 HB3 LEU A 66 -12.142 20.083 -6.783 1.00 0.00 H ATOM 986 HG LEU A 66 -9.331 19.542 -7.843 1.00 0.00 H ATOM 987 HD21 LEU A 66 -10.665 18.949 -5.186 1.00 0.00 H ATOM 988 HD22 LEU A 66 -10.236 17.750 -6.431 1.00 0.00 H ATOM 989 HD23 LEU A 66 -8.956 18.665 -5.597 1.00 0.00 H ATOM 990 HD11 LEU A 66 -9.763 21.907 -7.298 1.00 0.00 H ATOM 991 HD12 LEU A 66 -10.395 21.420 -5.706 1.00 0.00 H ATOM 992 HD13 LEU A 66 -8.682 21.144 -6.106 1.00 0.00 H ATOM 993 H LEU A 66 -10.785 18.977 -10.052 1.00 0.00 H ATOM 994 N LEU A 67 -14.288 18.163 -8.001 1.00 45.85 N ATOM 995 CA LEU A 67 -15.660 18.124 -8.447 1.00 45.03 C ATOM 996 C LEU A 67 -16.570 18.302 -7.257 1.00 48.86 C ATOM 997 O LEU A 67 -16.655 17.435 -6.390 1.00 47.11 O ATOM 998 CB LEU A 67 -15.919 16.783 -9.108 1.00 45.89 C ATOM 999 CG LEU A 67 -17.300 16.622 -9.703 1.00 49.93 C ATOM 1000 CD1 LEU A 67 -17.486 17.659 -10.807 1.00 51.80 C ATOM 1001 CD2 LEU A 67 -17.444 15.201 -10.230 1.00 49.52 C ATOM 1002 HA LEU A 67 -15.851 18.923 -9.163 1.00 0.00 H ATOM 1003 HB2 LEU A 67 -15.189 16.652 -9.907 1.00 0.00 H ATOM 1004 HB3 LEU A 67 -15.780 16.004 -8.359 1.00 0.00 H ATOM 1005 HG LEU A 67 -18.073 16.786 -8.952 1.00 0.00 H ATOM 1006 HD21 LEU A 67 -16.688 15.020 -10.994 1.00 0.00 H ATOM 1007 HD22 LEU A 67 -17.310 14.495 -9.410 1.00 0.00 H ATOM 1008 HD23 LEU A 67 -18.437 15.074 -10.662 1.00 0.00 H ATOM 1009 HD11 LEU A 67 -17.379 18.659 -10.386 1.00 0.00 H ATOM 1010 HD12 LEU A 67 -16.731 17.506 -11.578 1.00 0.00 H ATOM 1011 HD13 LEU A 67 -18.479 17.550 -11.242 1.00 0.00 H ATOM 1012 H LEU A 67 -14.034 17.744 -7.084 1.00 0.00 H ATOM 1013 N GLY A 68 -17.259 19.431 -7.213 1.00 56.73 N ATOM 1014 CA GLY A 68 -17.983 19.797 -6.015 1.00 55.33 C ATOM 1015 C GLY A 68 -16.979 19.925 -4.887 1.00 56.66 C ATOM 1016 O GLY A 68 -15.916 20.531 -5.053 1.00 56.17 O ATOM 1017 HA3 GLY A 68 -18.715 19.026 -5.774 1.00 0.00 H ATOM 1018 HA2 GLY A 68 -18.494 20.748 -6.166 1.00 0.00 H ATOM 1019 H GLY A 68 -17.280 20.058 -8.043 1.00 0.00 H ATOM 1020 N ALA A 69 -17.295 19.320 -3.750 1.00 50.49 N ATOM 1021 CA ALA A 69 -16.449 19.440 -2.574 1.00 51.20 C ATOM 1022 C ALA A 69 -15.452 18.291 -2.495 1.00 49.56 C ATOM 1023 O ALA A 69 -14.828 18.056 -1.455 1.00 47.13 O ATOM 1024 CB ALA A 69 -17.324 19.500 -1.306 1.00 54.06 C ATOM 1025 HA ALA A 69 -15.876 20.364 -2.650 1.00 0.00 H ATOM 1026 HB1 ALA A 69 -17.987 20.363 -1.364 1.00 0.00 H ATOM 1027 HB2 ALA A 69 -17.918 18.589 -1.232 1.00 0.00 H ATOM 1028 HB3 ALA A 69 -16.684 19.590 -0.428 1.00 0.00 H ATOM 1029 H ALA A 69 -18.163 18.750 -3.699 1.00 0.00 H ATOM 1030 N LYS A 70 -15.304 17.576 -3.604 1.00 47.82 N ATOM 1031 CA LYS A 70 -14.551 16.331 -3.600 1.00 45.82 C ATOM 1032 C LYS A 70 -13.475 16.275 -4.666 1.00 44.86 C ATOM 1033 O LYS A 70 -13.468 17.061 -5.610 1.00 46.20 O ATOM 1034 CB LYS A 70 -15.498 15.151 -3.778 1.00 45.95 C ATOM 1035 CG LYS A 70 -16.597 15.117 -2.735 1.00 49.66 C ATOM 1036 CD LYS A 70 -17.195 13.733 -2.566 1.00 48.62 C ATOM 1037 CE LYS A 70 -18.328 13.770 -1.536 1.00 47.80 C ATOM 1038 NZ LYS A 70 -18.732 12.395 -1.093 1.00 51.18 N ATOM 1039 HA LYS A 70 -14.047 16.279 -2.635 1.00 0.00 H ATOM 1040 HB2 LYS A 70 -15.956 15.218 -4.765 1.00 0.00 H ATOM 1041 HB3 LYS A 70 -14.922 14.228 -3.708 1.00 0.00 H ATOM 1042 HG2 LYS A 70 -16.182 15.438 -1.779 1.00 0.00 H ATOM 1043 HG3 LYS A 70 -17.387 15.805 -3.036 1.00 0.00 H ATOM 1044 HD2 LYS A 70 -17.589 13.391 -3.523 1.00 0.00 H ATOM 1045 HD3 LYS A 70 -16.421 13.045 -2.226 1.00 0.00 H ATOM 1046 HE2 LYS A 70 -19.192 14.264 -1.981 1.00 0.00 H ATOM 1047 HE3 LYS A 70 -17.995 14.336 -0.666 1.00 0.00 H ATOM 1048 HZ1 LYS A 70 -19.059 11.849 -1.916 1.00 0.00 H ATOM 1049 HZ2 LYS A 70 -17.915 11.918 -0.661 1.00 0.00 H ATOM 1050 HZ3 LYS A 70 -19.501 12.468 -0.397 1.00 0.00 H ATOM 1051 H LYS A 70 -15.733 17.911 -4.490 1.00 0.00 H ATOM 1052 N ALA A 71 -12.549 15.344 -4.497 1.00 34.98 N ATOM 1053 CA ALA A 71 -11.653 14.984 -5.588 1.00 35.09 C ATOM 1054 C ALA A 71 -12.348 13.915 -6.427 1.00 34.08 C ATOM 1055 O ALA A 71 -13.223 13.190 -5.945 1.00 34.33 O ATOM 1056 CB ALA A 71 -10.310 14.476 -5.059 1.00 34.45 C ATOM 1057 HA ALA A 71 -11.438 15.862 -6.197 1.00 0.00 H ATOM 1058 HB1 ALA A 71 -9.837 15.257 -4.464 1.00 0.00 H ATOM 1059 HB2 ALA A 71 -10.475 13.595 -4.439 1.00 0.00 H ATOM 1060 HB3 ALA A 71 -9.665 14.216 -5.898 1.00 0.00 H ATOM 1061 H ALA A 71 -12.460 14.866 -3.578 1.00 0.00 H ATOM 1062 N ALA A 72 -11.976 13.813 -7.691 1.00 33.82 N ATOM 1063 CA ALA A 72 -12.639 12.845 -8.528 1.00 32.43 C ATOM 1064 C ALA A 72 -11.705 12.248 -9.559 1.00 31.05 C ATOM 1065 O ALA A 72 -10.805 12.915 -10.075 1.00 29.68 O ATOM 1066 CB ALA A 72 -13.852 13.476 -9.191 1.00 32.99 C ATOM 1067 HA ALA A 72 -12.969 12.024 -7.892 1.00 0.00 H ATOM 1068 HB1 ALA A 72 -14.545 13.822 -8.424 1.00 0.00 H ATOM 1069 HB2 ALA A 72 -13.532 14.320 -9.802 1.00 0.00 H ATOM 1070 HB3 ALA A 72 -14.346 12.736 -9.821 1.00 0.00 H ATOM 1071 H ALA A 72 -11.221 14.418 -8.073 1.00 0.00 H ATOM 1072 N LEU A 73 -11.934 10.967 -9.842 1.00 33.27 N ATOM 1073 CA LEU A 73 -11.214 10.239 -10.864 1.00 31.41 C ATOM 1074 C LEU A 73 -12.227 9.865 -11.929 1.00 32.56 C ATOM 1075 O LEU A 73 -13.094 9.015 -11.691 1.00 35.22 O ATOM 1076 CB LEU A 73 -10.588 8.977 -10.267 1.00 30.13 C ATOM 1077 CG LEU A 73 -9.817 8.097 -11.258 1.00 29.13 C ATOM 1078 CD1 LEU A 73 -8.652 8.865 -11.865 1.00 28.15 C ATOM 1079 CD2 LEU A 73 -9.360 6.812 -10.586 1.00 26.54 C ATOM 1080 HA LEU A 73 -10.410 10.843 -11.283 1.00 0.00 H ATOM 1081 HB2 LEU A 73 -9.898 9.283 -9.480 1.00 0.00 H ATOM 1082 HB3 LEU A 73 -11.388 8.376 -9.834 1.00 0.00 H ATOM 1083 HG LEU A 73 -10.484 7.821 -12.074 1.00 0.00 H ATOM 1084 HD21 LEU A 73 -8.709 7.054 -9.746 1.00 0.00 H ATOM 1085 HD22 LEU A 73 -10.230 6.262 -10.226 1.00 0.00 H ATOM 1086 HD23 LEU A 73 -8.815 6.201 -11.306 1.00 0.00 H ATOM 1087 HD11 LEU A 73 -9.031 9.741 -12.391 1.00 0.00 H ATOM 1088 HD12 LEU A 73 -7.974 9.181 -11.072 1.00 0.00 H ATOM 1089 HD13 LEU A 73 -8.119 8.221 -12.565 1.00 0.00 H ATOM 1090 H LEU A 73 -12.667 10.465 -9.301 1.00 0.00 H ATOM 1091 N THR A 74 -12.150 10.507 -13.091 1.00 30.62 N ATOM 1092 CA THR A 74 -13.063 10.181 -14.182 1.00 32.32 C ATOM 1093 C THR A 74 -12.424 9.187 -15.138 1.00 31.31 C ATOM 1094 O THR A 74 -11.346 9.419 -15.653 1.00 36.19 O ATOM 1095 CB THR A 74 -13.498 11.414 -14.962 1.00 33.05 C ATOM 1096 OG1 THR A 74 -14.155 12.324 -14.073 1.00 35.42 O ATOM 1097 CG2 THR A 74 -14.465 11.023 -16.135 1.00 29.55 C ATOM 1098 HA THR A 74 -13.948 9.740 -13.724 1.00 0.00 H ATOM 1099 HB THR A 74 -12.616 11.887 -15.393 1.00 0.00 H ATOM 1100 HG1 THR A 74 -13.530 12.589 -13.352 1.00 0.00 H ATOM 1101 HG23 THR A 74 -13.958 10.331 -16.807 1.00 0.00 H ATOM 1102 HG21 THR A 74 -15.356 10.547 -15.726 1.00 0.00 H ATOM 1103 HG22 THR A 74 -14.750 11.921 -16.684 1.00 0.00 H ATOM 1104 H THR A 74 -11.433 11.248 -13.224 1.00 0.00 H ATOM 1105 N ILE A 75 -13.092 8.067 -15.357 1.00 33.74 N ATOM 1106 CA ILE A 75 -12.594 7.025 -16.243 1.00 32.24 C ATOM 1107 C ILE A 75 -13.506 6.991 -17.447 1.00 34.72 C ATOM 1108 O ILE A 75 -14.681 6.620 -17.319 1.00 34.64 O ATOM 1109 CB ILE A 75 -12.668 5.663 -15.557 1.00 33.22 C ATOM 1110 CG1 ILE A 75 -11.968 5.733 -14.183 1.00 32.91 C ATOM 1111 CG2 ILE A 75 -12.108 4.584 -16.470 1.00 32.35 C ATOM 1112 CD1 ILE A 75 -11.891 4.400 -13.442 1.00 32.68 C ATOM 1113 HA ILE A 75 -11.559 7.232 -16.515 1.00 0.00 H ATOM 1114 HB ILE A 75 -13.706 5.391 -15.366 1.00 0.00 H ATOM 1115 HG12 ILE A 75 -10.952 6.097 -14.337 1.00 0.00 H ATOM 1116 HG13 ILE A 75 -12.515 6.439 -13.558 1.00 0.00 H ATOM 1117 HD11 ILE A 75 -12.899 4.025 -13.266 1.00 0.00 H ATOM 1118 HD12 ILE A 75 -11.335 3.682 -14.045 1.00 0.00 H ATOM 1119 HD13 ILE A 75 -11.384 4.545 -12.488 1.00 0.00 H ATOM 1120 HG21 ILE A 75 -12.689 4.552 -17.392 1.00 0.00 H ATOM 1121 HG22 ILE A 75 -11.068 4.811 -16.703 1.00 0.00 H ATOM 1122 HG23 ILE A 75 -12.167 3.618 -15.968 1.00 0.00 H ATOM 1123 H ILE A 75 -14.005 7.926 -14.880 1.00 0.00 H ATOM 1124 N SER A 76 -13.010 7.420 -18.604 1.00 37.87 N ATOM 1125 CA SER A 76 -13.850 7.349 -19.794 1.00 41.03 C ATOM 1126 C SER A 76 -13.414 6.224 -20.730 1.00 39.38 C ATOM 1127 O SER A 76 -12.327 5.668 -20.570 1.00 38.59 O ATOM 1128 CB SER A 76 -13.933 8.703 -20.512 1.00 40.70 C ATOM 1129 OG SER A 76 -12.652 9.191 -20.799 1.00 42.08 O ATOM 1130 HA SER A 76 -14.860 7.106 -19.463 1.00 0.00 H ATOM 1131 HB2 SER A 76 -14.453 9.416 -19.872 1.00 0.00 H ATOM 1132 HB3 SER A 76 -14.487 8.581 -21.443 1.00 0.00 H ATOM 1133 HG SER A 76 -12.728 10.063 -21.261 1.00 0.00 H ATOM 1134 H SER A 76 -12.043 7.798 -18.659 1.00 0.00 H ATOM 1135 N ASP A 77 -14.282 5.876 -21.677 1.00 41.03 N ATOM 1136 CA ASP A 77 -14.017 4.783 -22.611 1.00 38.27 C ATOM 1137 C ASP A 77 -13.534 3.553 -21.823 1.00 38.63 C ATOM 1138 O ASP A 77 -12.476 2.979 -22.108 1.00 39.60 O ATOM 1139 CB ASP A 77 -12.983 5.237 -23.645 1.00 37.19 C ATOM 1140 CG ASP A 77 -12.658 4.162 -24.660 1.00 43.34 C ATOM 1141 OD1 ASP A 77 -13.616 3.495 -25.144 1.00 42.74 O ATOM 1142 OD2 ASP A 77 -11.438 3.983 -24.951 1.00 42.68 O ATOM 1143 HA ASP A 77 -14.926 4.508 -23.146 1.00 0.00 H ATOM 1144 HB2 ASP A 77 -13.375 6.107 -24.172 1.00 0.00 H ATOM 1145 HB3 ASP A 77 -12.066 5.513 -23.124 1.00 0.00 H ATOM 1146 H ASP A 77 -15.178 6.399 -21.755 1.00 0.00 H ATOM 1147 N ALA A 78 -14.310 3.174 -20.809 1.00 37.97 N ATOM 1148 CA ALA A 78 -13.856 2.188 -19.830 1.00 37.36 C ATOM 1149 C ALA A 78 -13.551 0.861 -20.503 1.00 35.94 C ATOM 1150 O ALA A 78 -14.288 0.409 -21.374 1.00 37.13 O ATOM 1151 CB ALA A 78 -14.880 2.004 -18.729 1.00 33.67 C ATOM 1152 HA ALA A 78 -12.937 2.563 -19.379 1.00 0.00 H ATOM 1153 HB1 ALA A 78 -15.039 2.955 -18.220 1.00 0.00 H ATOM 1154 HB2 ALA A 78 -15.819 1.660 -19.162 1.00 0.00 H ATOM 1155 HB3 ALA A 78 -14.516 1.265 -18.015 1.00 0.00 H ATOM 1156 H ALA A 78 -15.259 3.588 -20.712 1.00 0.00 H ATOM 1157 N GLN A 79 -12.452 0.255 -20.091 1.00 31.39 N ATOM 1158 CA GLN A 79 -12.009 -1.002 -20.653 1.00 31.86 C ATOM 1159 C GLN A 79 -12.165 -2.124 -19.614 1.00 33.18 C ATOM 1160 O GLN A 79 -12.146 -1.868 -18.404 1.00 32.63 O ATOM 1161 CB GLN A 79 -10.537 -0.860 -21.061 1.00 31.23 C ATOM 1162 CG GLN A 79 -10.317 0.153 -22.186 1.00 34.62 C ATOM 1163 CD GLN A 79 -10.992 -0.300 -23.456 1.00 34.06 C ATOM 1164 OE1 GLN A 79 -10.710 -1.397 -23.956 1.00 33.90 O ATOM 1165 NE2 GLN A 79 -11.928 0.503 -23.956 1.00 34.62 N ATOM 1166 HA GLN A 79 -12.612 -1.255 -21.525 1.00 0.00 H ATOM 1167 HB2 GLN A 79 -9.965 -0.540 -20.190 1.00 0.00 H ATOM 1168 HB3 GLN A 79 -10.175 -1.832 -21.395 1.00 0.00 H ATOM 1169 HG2 GLN A 79 -10.730 1.116 -21.886 1.00 0.00 H ATOM 1170 HG3 GLN A 79 -9.247 0.259 -22.368 1.00 0.00 H ATOM 1171 HE22 GLN A 79 -12.128 1.416 -23.499 1.00 0.00 H ATOM 1172 HE21 GLN A 79 -12.459 0.218 -24.803 1.00 0.00 H ATOM 1173 H GLN A 79 -11.887 0.696 -19.338 1.00 0.00 H ATOM 1174 N PRO A 80 -12.295 -3.376 -20.078 1.00 33.86 N ATOM 1175 CA PRO A 80 -12.320 -4.492 -19.119 1.00 33.75 C ATOM 1176 C PRO A 80 -11.165 -4.415 -18.123 1.00 35.30 C ATOM 1177 O PRO A 80 -11.360 -4.704 -16.937 1.00 37.55 O ATOM 1178 CB PRO A 80 -12.165 -5.733 -20.012 1.00 32.94 C ATOM 1179 CG PRO A 80 -12.754 -5.298 -21.347 1.00 36.12 C ATOM 1180 CD PRO A 80 -12.415 -3.824 -21.479 1.00 33.10 C ATOM 1181 HA PRO A 80 -13.228 -4.493 -18.516 1.00 0.00 H ATOM 1182 HD3 PRO A 80 -11.476 -3.685 -22.015 1.00 0.00 H ATOM 1183 HD2 PRO A 80 -13.210 -3.285 -21.995 1.00 0.00 H ATOM 1184 HG3 PRO A 80 -13.834 -5.443 -21.352 1.00 0.00 H ATOM 1185 HG2 PRO A 80 -12.309 -5.866 -22.164 1.00 0.00 H ATOM 1186 HB2 PRO A 80 -11.115 -6.004 -20.121 1.00 0.00 H ATOM 1187 HB3 PRO A 80 -12.717 -6.578 -19.601 1.00 0.00 H ATOM 1188 N GLU A 81 -9.986 -4.014 -18.585 1.00 33.35 N ATOM 1189 CA GLU A 81 -8.820 -4.034 -17.723 1.00 35.18 C ATOM 1190 C GLU A 81 -8.893 -2.937 -16.653 1.00 37.73 C ATOM 1191 O GLU A 81 -8.044 -2.884 -15.750 1.00 35.18 O ATOM 1192 CB GLU A 81 -7.529 -3.905 -18.542 1.00 33.19 C ATOM 1193 CG GLU A 81 -7.258 -2.499 -19.075 1.00 34.43 C ATOM 1194 CD GLU A 81 -6.320 -2.486 -20.286 1.00 39.78 C ATOM 1195 OE1 GLU A 81 -6.624 -3.157 -21.304 1.00 41.10 O ATOM 1196 OE2 GLU A 81 -5.269 -1.813 -20.222 1.00 43.27 O ATOM 1197 HA GLU A 81 -8.808 -4.997 -17.213 1.00 0.00 H ATOM 1198 HB2 GLU A 81 -6.692 -4.197 -17.908 1.00 0.00 H ATOM 1199 HB3 GLU A 81 -7.594 -4.585 -19.391 1.00 0.00 H ATOM 1200 HG2 GLU A 81 -8.207 -2.049 -19.366 1.00 0.00 H ATOM 1201 HG3 GLU A 81 -6.806 -1.907 -18.279 1.00 0.00 H ATOM 1202 H GLU A 81 -9.899 -3.685 -19.568 1.00 0.00 H ATOM 1203 N ASP A 82 -9.886 -2.053 -16.757 1.00 28.54 N ATOM 1204 CA ASP A 82 -10.008 -0.973 -15.784 1.00 29.41 C ATOM 1205 C ASP A 82 -10.710 -1.478 -14.525 1.00 31.12 C ATOM 1206 O ASP A 82 -10.833 -0.759 -13.533 1.00 30.88 O ATOM 1207 CB ASP A 82 -10.746 0.236 -16.378 1.00 29.80 C ATOM 1208 CG ASP A 82 -9.952 0.926 -17.476 1.00 31.25 C ATOM 1209 OD1 ASP A 82 -8.703 0.927 -17.382 1.00 32.00 O ATOM 1210 OD2 ASP A 82 -10.567 1.456 -18.438 1.00 29.79 O ATOM 1211 HA ASP A 82 -9.005 -0.641 -15.515 1.00 0.00 H ATOM 1212 HB2 ASP A 82 -11.694 -0.104 -16.794 1.00 0.00 H ATOM 1213 HB3 ASP A 82 -10.937 0.955 -15.581 1.00 0.00 H ATOM 1214 H ASP A 82 -10.574 -2.134 -17.533 1.00 0.00 H ATOM 1215 N GLU A 83 -11.179 -2.716 -14.576 1.00 34.92 N ATOM 1216 CA GLU A 83 -11.835 -3.308 -13.437 1.00 38.08 C ATOM 1217 C GLU A 83 -10.779 -3.559 -12.371 1.00 39.98 C ATOM 1218 O GLU A 83 -9.823 -4.306 -12.594 1.00 40.27 O ATOM 1219 CB GLU A 83 -12.535 -4.599 -13.837 1.00 39.23 C ATOM 1220 CG GLU A 83 -13.168 -5.325 -12.669 1.00 40.41 C ATOM 1221 CD GLU A 83 -14.134 -6.414 -13.118 1.00 45.24 C ATOM 1222 OE1 GLU A 83 -15.147 -6.100 -13.799 1.00 43.11 O ATOM 1223 OE2 GLU A 83 -13.870 -7.595 -12.797 1.00 49.94 O ATOM 1224 HA GLU A 83 -12.601 -2.638 -13.046 1.00 0.00 H ATOM 1225 HB2 GLU A 83 -13.315 -4.360 -14.560 1.00 0.00 H ATOM 1226 HB3 GLU A 83 -11.803 -5.261 -14.300 1.00 0.00 H ATOM 1227 HG2 GLU A 83 -12.379 -5.781 -12.071 1.00 0.00 H ATOM 1228 HG3 GLU A 83 -13.712 -4.603 -12.061 1.00 0.00 H ATOM 1229 H GLU A 83 -11.072 -3.269 -15.450 1.00 0.00 H ATOM 1230 N ALA A 84 -10.948 -2.921 -11.217 1.00 30.46 N ATOM 1231 CA ALA A 84 -9.889 -2.862 -10.225 1.00 31.21 C ATOM 1232 C ALA A 84 -10.407 -2.151 -8.993 1.00 31.81 C ATOM 1233 O ALA A 84 -11.476 -1.554 -9.022 1.00 30.17 O ATOM 1234 CB ALA A 84 -8.710 -2.093 -10.786 1.00 27.14 C ATOM 1235 HA ALA A 84 -9.572 -3.873 -9.967 1.00 0.00 H ATOM 1236 HB1 ALA A 84 -8.342 -2.596 -11.680 1.00 0.00 H ATOM 1237 HB2 ALA A 84 -9.026 -1.081 -11.041 1.00 0.00 H ATOM 1238 HB3 ALA A 84 -7.917 -2.050 -10.039 1.00 0.00 H ATOM 1239 H ALA A 84 -11.857 -2.455 -11.021 1.00 0.00 H ATOM 1240 N GLU A 85 -9.629 -2.206 -7.920 1.00 36.26 N ATOM 1241 CA GLU A 85 -9.872 -1.377 -6.759 1.00 37.53 C ATOM 1242 C GLU A 85 -9.128 -0.037 -6.961 1.00 34.69 C ATOM 1243 O GLU A 85 -7.982 -0.011 -7.396 1.00 34.48 O ATOM 1244 CB GLU A 85 -9.418 -2.111 -5.484 1.00 35.71 C ATOM 1245 CG GLU A 85 -9.873 -1.462 -4.162 1.00 40.06 C ATOM 1246 CD GLU A 85 -11.341 -1.714 -3.832 1.00 43.32 C ATOM 1247 OE1 GLU A 85 -11.969 -2.550 -4.512 1.00 46.14 O ATOM 1248 OE2 GLU A 85 -11.870 -1.088 -2.884 1.00 43.52 O ATOM 1249 HA GLU A 85 -10.936 -1.171 -6.641 1.00 0.00 H ATOM 1250 HB2 GLU A 85 -9.816 -3.125 -5.518 1.00 0.00 H ATOM 1251 HB3 GLU A 85 -8.329 -2.149 -5.485 1.00 0.00 H ATOM 1252 HG2 GLU A 85 -9.264 -1.864 -3.353 1.00 0.00 H ATOM 1253 HG3 GLU A 85 -9.715 -0.386 -4.234 1.00 0.00 H ATOM 1254 H GLU A 85 -8.823 -2.863 -7.913 1.00 0.00 H ATOM 1255 N TYR A 86 -9.797 1.078 -6.703 1.00 29.41 N ATOM 1256 CA TYR A 86 -9.153 2.394 -6.816 1.00 29.60 C ATOM 1257 C TYR A 86 -9.084 3.060 -5.453 1.00 32.14 C ATOM 1258 O TYR A 86 -10.101 3.162 -4.741 1.00 30.15 O ATOM 1259 CB TYR A 86 -9.888 3.301 -7.817 1.00 28.08 C ATOM 1260 CG TYR A 86 -9.770 2.800 -9.230 1.00 28.49 C ATOM 1261 CD1 TYR A 86 -8.767 3.265 -10.073 1.00 29.91 C ATOM 1262 CD2 TYR A 86 -10.632 1.823 -9.713 1.00 28.72 C ATOM 1263 CE1 TYR A 86 -8.638 2.787 -11.370 1.00 29.24 C ATOM 1264 CE2 TYR A 86 -10.518 1.345 -11.006 1.00 29.51 C ATOM 1265 CZ TYR A 86 -9.514 1.830 -11.829 1.00 29.48 C ATOM 1266 OH TYR A 86 -9.390 1.346 -13.110 1.00 29.32 O ATOM 1267 HA TYR A 86 -8.142 2.240 -7.192 1.00 0.00 H ATOM 1268 HB3 TYR A 86 -9.461 4.303 -7.763 1.00 0.00 H ATOM 1269 HB2 TYR A 86 -10.943 3.342 -7.546 1.00 0.00 H ATOM 1270 HD2 TYR A 86 -11.411 1.427 -9.062 1.00 0.00 H ATOM 1271 HE2 TYR A 86 -11.214 0.591 -11.375 1.00 0.00 H ATOM 1272 HE1 TYR A 86 -7.849 3.167 -12.020 1.00 0.00 H ATOM 1273 HD1 TYR A 86 -8.069 4.019 -9.709 1.00 0.00 H ATOM 1274 HH TYR A 86 -9.228 0.370 -13.078 1.00 0.00 H ATOM 1275 H TYR A 86 -10.795 1.020 -6.416 1.00 0.00 H ATOM 1276 N TYR A 87 -7.889 3.503 -5.084 1.00 29.21 N ATOM 1277 CA TYR A 87 -7.734 4.217 -3.830 1.00 31.92 C ATOM 1278 C TYR A 87 -7.385 5.668 -4.110 1.00 31.20 C ATOM 1279 O TYR A 87 -6.571 5.947 -4.991 1.00 32.28 O ATOM 1280 CB TYR A 87 -6.642 3.571 -2.969 1.00 31.25 C ATOM 1281 CG TYR A 87 -6.998 2.191 -2.515 1.00 32.95 C ATOM 1282 CD1 TYR A 87 -7.703 1.991 -1.331 1.00 34.31 C ATOM 1283 CD2 TYR A 87 -6.638 1.077 -3.268 1.00 33.92 C ATOM 1284 CE1 TYR A 87 -8.044 0.716 -0.911 1.00 34.59 C ATOM 1285 CE2 TYR A 87 -6.974 -0.202 -2.863 1.00 33.13 C ATOM 1286 CZ TYR A 87 -7.680 -0.375 -1.687 1.00 36.81 C ATOM 1287 OH TYR A 87 -8.023 -1.643 -1.272 1.00 41.56 O ATOM 1288 HA TYR A 87 -8.675 4.169 -3.282 1.00 0.00 H ATOM 1289 HB3 TYR A 87 -6.477 4.195 -2.090 1.00 0.00 H ATOM 1290 HB2 TYR A 87 -5.723 3.519 -3.553 1.00 0.00 H ATOM 1291 HD2 TYR A 87 -6.081 1.215 -4.194 1.00 0.00 H ATOM 1292 HE2 TYR A 87 -6.685 -1.064 -3.464 1.00 0.00 H ATOM 1293 HE1 TYR A 87 -8.593 0.571 0.020 1.00 0.00 H ATOM 1294 HD1 TYR A 87 -7.991 2.851 -0.726 1.00 0.00 H ATOM 1295 HH TYR A 87 -8.521 -1.586 -0.418 1.00 0.00 H ATOM 1296 H TYR A 87 -7.063 3.338 -5.694 1.00 0.00 H ATOM 1297 N CYS A 88 -7.996 6.585 -3.366 1.00 35.96 N ATOM 1298 CA CYS A 88 -7.487 7.946 -3.296 1.00 35.77 C ATOM 1299 C CYS A 88 -6.819 8.212 -1.943 1.00 38.11 C ATOM 1300 O CYS A 88 -7.084 7.538 -0.941 1.00 38.93 O ATOM 1301 CB CYS A 88 -8.580 8.975 -3.535 1.00 38.47 C ATOM 1302 SG CYS A 88 -9.694 9.124 -2.152 1.00 49.58 S ATOM 1303 HA CYS A 88 -6.746 8.045 -4.089 1.00 0.00 H ATOM 1304 HB2 CYS A 88 -9.152 8.679 -4.414 1.00 0.00 H ATOM 1305 HB3 CYS A 88 -8.114 9.944 -3.715 1.00 0.00 H ATOM 1306 HG CYS A 88 -8.735 8.901 -1.185 1.00 0.00 H ATOM 1307 H CYS A 88 -8.848 6.326 -2.828 1.00 0.00 H ATOM 1308 N SER A 89 -5.931 9.197 -1.934 1.00 29.27 N ATOM 1309 CA SER A 89 -5.316 9.658 -0.715 1.00 27.41 C ATOM 1310 C SER A 89 -5.325 11.186 -0.725 1.00 31.00 C ATOM 1311 O SER A 89 -5.148 11.805 -1.776 1.00 29.85 O ATOM 1312 CB SER A 89 -3.897 9.117 -0.590 1.00 28.42 C ATOM 1313 OG SER A 89 -3.328 9.541 0.636 1.00 30.50 O ATOM 1314 HA SER A 89 -5.874 9.294 0.148 1.00 0.00 H ATOM 1315 HB2 SER A 89 -3.293 9.489 -1.418 1.00 0.00 H ATOM 1316 HB3 SER A 89 -3.921 8.028 -0.621 1.00 0.00 H ATOM 1317 HG SER A 89 -3.876 9.202 1.388 1.00 0.00 H ATOM 1318 H SER A 89 -5.671 9.650 -2.833 1.00 0.00 H ATOM 1319 N LEU A 90 -5.566 11.789 0.436 1.00 27.61 N ATOM 1320 CA LEU A 90 -5.549 13.239 0.560 1.00 27.21 C ATOM 1321 C LEU A 90 -4.539 13.577 1.629 1.00 30.52 C ATOM 1322 O LEU A 90 -4.316 12.776 2.539 1.00 31.53 O ATOM 1323 CB LEU A 90 -6.921 13.769 0.987 1.00 30.56 C ATOM 1324 CG LEU A 90 -8.126 13.419 0.122 1.00 31.61 C ATOM 1325 CD1 LEU A 90 -9.381 14.072 0.702 1.00 32.58 C ATOM 1326 CD2 LEU A 90 -7.878 13.873 -1.317 1.00 29.46 C ATOM 1327 HA LEU A 90 -5.296 13.692 -0.399 1.00 0.00 H ATOM 1328 HB2 LEU A 90 -7.119 13.387 1.988 1.00 0.00 H ATOM 1329 HB3 LEU A 90 -6.852 14.856 1.022 1.00 0.00 H ATOM 1330 HG LEU A 90 -8.275 12.339 0.115 1.00 0.00 H ATOM 1331 HD21 LEU A 90 -7.721 14.952 -1.334 1.00 0.00 H ATOM 1332 HD22 LEU A 90 -6.994 13.370 -1.708 1.00 0.00 H ATOM 1333 HD23 LEU A 90 -8.743 13.620 -1.931 1.00 0.00 H ATOM 1334 HD11 LEU A 90 -9.544 13.706 1.716 1.00 0.00 H ATOM 1335 HD12 LEU A 90 -9.250 15.154 0.721 1.00 0.00 H ATOM 1336 HD13 LEU A 90 -10.240 13.820 0.081 1.00 0.00 H ATOM 1337 H LEU A 90 -5.772 11.210 1.275 1.00 0.00 H ATOM 1338 N SER A 91 -3.918 14.740 1.561 1.00 36.26 N ATOM 1339 CA SER A 91 -3.036 15.079 2.657 1.00 44.65 C ATOM 1340 C SER A 91 -3.136 16.524 3.080 1.00 46.22 C ATOM 1341 O SER A 91 -3.672 17.363 2.348 1.00 44.73 O ATOM 1342 CB SER A 91 -1.584 14.716 2.321 1.00 44.71 C ATOM 1343 OG SER A 91 -1.104 15.566 1.315 1.00 46.02 O ATOM 1344 HA SER A 91 -3.367 14.484 3.508 1.00 0.00 H ATOM 1345 HB2 SER A 91 -1.539 13.683 1.975 1.00 0.00 H ATOM 1346 HB3 SER A 91 -0.967 14.826 3.213 1.00 0.00 H ATOM 1347 HG SER A 91 -0.167 15.327 1.102 1.00 0.00 H ATOM 1348 H SER A 91 -4.056 15.384 0.756 1.00 0.00 H ATOM 1349 N ASP A 92 -2.631 16.795 4.279 1.00 44.52 N ATOM 1350 CA ASP A 92 -2.412 18.158 4.744 1.00 48.61 C ATOM 1351 C ASP A 92 -1.067 18.258 5.459 1.00 49.97 C ATOM 1352 O ASP A 92 -0.242 17.354 5.349 1.00 46.33 O ATOM 1353 CB ASP A 92 -3.552 18.635 5.648 1.00 49.19 C ATOM 1354 CG ASP A 92 -3.805 17.704 6.831 1.00 54.79 C ATOM 1355 OD1 ASP A 92 -2.840 17.150 7.403 1.00 53.72 O ATOM 1356 OD2 ASP A 92 -4.987 17.528 7.194 1.00 54.63 O ATOM 1357 HA ASP A 92 -2.396 18.815 3.874 1.00 0.00 H ATOM 1358 HB2 ASP A 92 -3.301 19.624 6.031 1.00 0.00 H ATOM 1359 HB3 ASP A 92 -4.464 18.698 5.054 1.00 0.00 H ATOM 1360 H ASP A 92 -2.383 16.005 4.908 1.00 0.00 H ATOM 1361 N VAL A 93 -0.868 19.346 6.200 1.00 56.11 N ATOM 1362 CA VAL A 93 0.370 19.588 6.943 1.00 57.31 C ATOM 1363 C VAL A 93 0.718 18.456 7.920 1.00 59.03 C ATOM 1364 O VAL A 93 1.893 18.227 8.228 1.00 61.33 O ATOM 1365 CB VAL A 93 0.289 20.935 7.726 1.00 62.63 C ATOM 1366 CG1 VAL A 93 -0.872 20.914 8.715 1.00 61.20 C ATOM 1367 CG2 VAL A 93 1.615 21.252 8.435 1.00 59.54 C ATOM 1368 HA VAL A 93 1.163 19.634 6.197 1.00 0.00 H ATOM 1369 HB VAL A 93 0.107 21.731 7.004 1.00 0.00 H ATOM 1370 HG11 VAL A 93 -1.806 20.763 8.174 1.00 0.00 H ATOM 1371 HG12 VAL A 93 -0.727 20.100 9.426 1.00 0.00 H ATOM 1372 HG13 VAL A 93 -0.909 21.863 9.250 1.00 0.00 H ATOM 1373 HG21 VAL A 93 1.848 20.455 9.141 1.00 0.00 H ATOM 1374 HG22 VAL A 93 2.412 21.329 7.695 1.00 0.00 H ATOM 1375 HG23 VAL A 93 1.522 22.197 8.970 1.00 0.00 H ATOM 1376 H VAL A 93 -1.626 20.056 6.253 1.00 0.00 H ATOM 1377 N ASP A 94 -0.304 17.734 8.377 1.00 57.57 N ATOM 1378 CA ASP A 94 -0.143 16.698 9.396 1.00 56.31 C ATOM 1379 C ASP A 94 -0.017 15.251 8.901 1.00 57.85 C ATOM 1380 O ASP A 94 0.199 14.335 9.694 1.00 57.67 O ATOM 1381 CB ASP A 94 -1.307 16.779 10.371 1.00 62.44 C ATOM 1382 CG ASP A 94 -1.348 18.097 11.096 1.00 67.01 C ATOM 1383 OD1 ASP A 94 -0.253 18.591 11.477 1.00 65.35 O ATOM 1384 OD2 ASP A 94 -2.466 18.638 11.266 1.00 65.02 O ATOM 1385 HA ASP A 94 0.821 16.918 9.855 1.00 0.00 H ATOM 1386 HB2 ASP A 94 -2.238 16.652 9.818 1.00 0.00 H ATOM 1387 HB3 ASP A 94 -1.209 15.978 11.103 1.00 0.00 H ATOM 1388 H ASP A 94 -1.254 17.914 7.994 1.00 0.00 H ATOM 1389 N GLY A 95 -0.179 15.024 7.608 1.00 48.04 N ATOM 1390 CA GLY A 95 -0.083 13.668 7.109 1.00 43.57 C ATOM 1391 C GLY A 95 -1.030 13.401 5.966 1.00 42.36 C ATOM 1392 O GLY A 95 -1.655 14.312 5.433 1.00 44.37 O ATOM 1393 HA3 GLY A 95 -0.314 12.980 7.922 1.00 0.00 H ATOM 1394 HA2 GLY A 95 0.937 13.494 6.766 1.00 0.00 H ATOM 1395 H GLY A 95 -0.373 15.811 6.957 1.00 0.00 H ATOM 1396 N TYR A 96 -1.125 12.138 5.578 1.00 38.25 N ATOM 1397 CA TYR A 96 -1.986 11.757 4.479 1.00 35.97 C ATOM 1398 C TYR A 96 -2.932 10.639 4.935 1.00 36.78 C ATOM 1399 O TYR A 96 -2.602 9.840 5.812 1.00 33.64 O ATOM 1400 CB TYR A 96 -1.148 11.335 3.261 1.00 33.87 C ATOM 1401 CG TYR A 96 -0.150 10.223 3.535 1.00 32.94 C ATOM 1402 CD1 TYR A 96 1.203 10.493 3.741 1.00 35.89 C ATOM 1403 CD2 TYR A 96 -0.570 8.899 3.601 1.00 32.00 C ATOM 1404 CE1 TYR A 96 2.128 9.441 3.995 1.00 33.14 C ATOM 1405 CE2 TYR A 96 0.306 7.867 3.847 1.00 34.74 C ATOM 1406 CZ TYR A 96 1.658 8.131 4.045 1.00 35.49 C ATOM 1407 OH TYR A 96 2.502 7.062 4.296 1.00 34.28 O ATOM 1408 HA TYR A 96 -2.590 12.611 4.174 1.00 0.00 H ATOM 1409 HB3 TYR A 96 -0.597 12.207 2.908 1.00 0.00 H ATOM 1410 HB2 TYR A 96 -1.829 10.996 2.480 1.00 0.00 H ATOM 1411 HD2 TYR A 96 -1.626 8.672 3.453 1.00 0.00 H ATOM 1412 HE2 TYR A 96 -0.060 6.841 3.887 1.00 0.00 H ATOM 1413 HE1 TYR A 96 3.185 9.657 4.148 1.00 0.00 H ATOM 1414 HD1 TYR A 96 1.557 11.523 3.707 1.00 0.00 H ATOM 1415 HH TYR A 96 3.427 7.394 4.416 1.00 0.00 H ATOM 1416 H TYR A 96 -0.572 11.408 6.071 1.00 0.00 H ATOM 1417 N LEU A 97 -4.118 10.599 4.340 1.00 38.89 N ATOM 1418 CA LEU A 97 -5.099 9.574 4.654 1.00 36.54 C ATOM 1419 C LEU A 97 -5.576 8.917 3.368 1.00 36.80 C ATOM 1420 O LEU A 97 -5.746 9.571 2.341 1.00 35.04 O ATOM 1421 CB LEU A 97 -6.290 10.160 5.413 1.00 38.31 C ATOM 1422 CG LEU A 97 -6.056 10.647 6.849 1.00 43.76 C ATOM 1423 CD1 LEU A 97 -7.350 11.235 7.441 1.00 44.71 C ATOM 1424 CD2 LEU A 97 -5.502 9.529 7.743 1.00 39.03 C ATOM 1425 HA LEU A 97 -4.626 8.830 5.295 1.00 0.00 H ATOM 1426 HB2 LEU A 97 -6.656 11.010 4.837 1.00 0.00 H ATOM 1427 HB3 LEU A 97 -7.061 9.390 5.452 1.00 0.00 H ATOM 1428 HG LEU A 97 -5.305 11.436 6.812 1.00 0.00 H ATOM 1429 HD21 LEU A 97 -6.212 8.703 7.771 1.00 0.00 H ATOM 1430 HD22 LEU A 97 -4.552 9.180 7.339 1.00 0.00 H ATOM 1431 HD23 LEU A 97 -5.350 9.914 8.751 1.00 0.00 H ATOM 1432 HD11 LEU A 97 -7.677 12.077 6.831 1.00 0.00 H ATOM 1433 HD12 LEU A 97 -8.125 10.469 7.450 1.00 0.00 H ATOM 1434 HD13 LEU A 97 -7.161 11.574 8.460 1.00 0.00 H ATOM 1435 H LEU A 97 -4.352 11.321 3.629 1.00 0.00 H ATOM 1436 N PHE A 98 -5.768 7.610 3.437 1.00 28.46 N ATOM 1437 CA PHE A 98 -6.345 6.866 2.346 1.00 29.15 C ATOM 1438 C PHE A 98 -7.837 6.659 2.571 1.00 32.71 C ATOM 1439 O PHE A 98 -8.288 6.483 3.709 1.00 34.08 O ATOM 1440 CB PHE A 98 -5.647 5.524 2.203 1.00 26.97 C ATOM 1441 CG PHE A 98 -4.342 5.598 1.461 1.00 28.97 C ATOM 1442 CD1 PHE A 98 -3.167 5.948 2.120 1.00 27.02 C ATOM 1443 CD2 PHE A 98 -4.284 5.308 0.121 1.00 27.92 C ATOM 1444 CE1 PHE A 98 -1.948 6.015 1.445 1.00 30.38 C ATOM 1445 CE2 PHE A 98 -3.067 5.361 -0.572 1.00 29.58 C ATOM 1446 CZ PHE A 98 -1.888 5.715 0.097 1.00 27.83 C ATOM 1447 HA PHE A 98 -6.209 7.436 1.427 1.00 0.00 H ATOM 1448 HB2 PHE A 98 -5.454 5.128 3.200 1.00 0.00 H ATOM 1449 HB3 PHE A 98 -6.311 4.846 1.666 1.00 0.00 H ATOM 1450 HD2 PHE A 98 -5.195 5.033 -0.411 1.00 0.00 H ATOM 1451 HE2 PHE A 98 -3.038 5.126 -1.636 1.00 0.00 H ATOM 1452 HZ PHE A 98 -0.939 5.753 -0.437 1.00 0.00 H ATOM 1453 HE1 PHE A 98 -1.043 6.304 1.980 1.00 0.00 H ATOM 1454 HD1 PHE A 98 -3.200 6.174 3.186 1.00 0.00 H ATOM 1455 H PHE A 98 -5.495 7.105 4.304 1.00 0.00 H ATOM 1456 N GLY A 99 -8.597 6.709 1.481 1.00 34.20 N ATOM 1457 CA GLY A 99 -9.990 6.301 1.498 1.00 36.14 C ATOM 1458 C GLY A 99 -10.077 4.784 1.530 1.00 33.10 C ATOM 1459 O GLY A 99 -9.073 4.091 1.377 1.00 32.19 O ATOM 1460 HA3 GLY A 99 -10.489 6.674 0.604 1.00 0.00 H ATOM 1461 HA2 GLY A 99 -10.478 6.711 2.382 1.00 0.00 H ATOM 1462 H GLY A 99 -8.181 7.050 0.591 1.00 0.00 H ATOM 1463 N GLY A 100 -11.279 4.262 1.724 1.00 34.47 N ATOM 1464 CA GLY A 100 -11.460 2.829 1.830 1.00 33.53 C ATOM 1465 C GLY A 100 -11.323 2.084 0.517 1.00 36.82 C ATOM 1466 O GLY A 100 -11.210 0.864 0.506 1.00 37.07 O ATOM 1467 HA3 GLY A 100 -12.457 2.639 2.228 1.00 0.00 H ATOM 1468 HA2 GLY A 100 -10.713 2.441 2.523 1.00 0.00 H ATOM 1469 H GLY A 100 -12.104 4.890 1.801 1.00 0.00 H ATOM 1470 N GLY A 101 -11.328 2.805 -0.597 1.00 35.67 N ATOM 1471 CA GLY A 101 -11.207 2.153 -1.890 1.00 35.79 C ATOM 1472 C GLY A 101 -12.555 2.001 -2.581 1.00 38.63 C ATOM 1473 O GLY A 101 -13.596 1.798 -1.945 1.00 37.70 O ATOM 1474 HA3 GLY A 101 -10.771 1.164 -1.746 1.00 0.00 H ATOM 1475 HA2 GLY A 101 -10.551 2.749 -2.525 1.00 0.00 H ATOM 1476 H GLY A 101 -11.419 3.840 -0.545 1.00 0.00 H ATOM 1477 N THR A 102 -12.539 2.128 -3.897 1.00 38.29 N ATOM 1478 CA THR A 102 -13.734 1.914 -4.688 1.00 37.31 C ATOM 1479 C THR A 102 -13.522 0.709 -5.570 1.00 37.59 C ATOM 1480 O THR A 102 -12.539 0.644 -6.309 1.00 38.40 O ATOM 1481 CB THR A 102 -14.017 3.121 -5.577 1.00 37.91 C ATOM 1482 OG1 THR A 102 -14.301 4.255 -4.744 1.00 40.42 O ATOM 1483 CG2 THR A 102 -15.194 2.837 -6.484 1.00 37.37 C ATOM 1484 HA THR A 102 -14.578 1.763 -4.015 1.00 0.00 H ATOM 1485 HB THR A 102 -13.146 3.329 -6.198 1.00 0.00 H ATOM 1486 HG1 THR A 102 -15.092 4.060 -4.181 1.00 0.00 H ATOM 1487 HG23 THR A 102 -14.968 1.975 -7.111 1.00 0.00 H ATOM 1488 HG21 THR A 102 -16.075 2.626 -5.878 1.00 0.00 H ATOM 1489 HG22 THR A 102 -15.384 3.706 -7.113 1.00 0.00 H ATOM 1490 H THR A 102 -11.652 2.386 -4.374 1.00 0.00 H ATOM 1491 N GLN A 103 -14.431 -0.252 -5.487 1.00 38.88 N ATOM 1492 CA GLN A 103 -14.404 -1.384 -6.406 1.00 40.92 C ATOM 1493 C GLN A 103 -15.101 -0.995 -7.717 1.00 40.59 C ATOM 1494 O GLN A 103 -16.288 -0.687 -7.738 1.00 40.91 O ATOM 1495 CB GLN A 103 -15.064 -2.618 -5.770 1.00 40.47 C ATOM 1496 CG GLN A 103 -15.087 -3.838 -6.686 1.00 41.46 C ATOM 1497 CD GLN A 103 -15.953 -4.981 -6.138 1.00 50.11 C ATOM 1498 OE1 GLN A 103 -16.909 -4.760 -5.373 1.00 50.52 O ATOM 1499 NE2 GLN A 103 -15.614 -6.212 -6.522 1.00 45.99 N ATOM 1500 HA GLN A 103 -13.368 -1.645 -6.624 1.00 0.00 H ATOM 1501 HB2 GLN A 103 -14.513 -2.876 -4.865 1.00 0.00 H ATOM 1502 HB3 GLN A 103 -16.091 -2.364 -5.508 1.00 0.00 H ATOM 1503 HG2 GLN A 103 -15.481 -3.537 -7.657 1.00 0.00 H ATOM 1504 HG3 GLN A 103 -14.067 -4.202 -6.807 1.00 0.00 H ATOM 1505 HE22 GLN A 103 -14.807 -6.353 -7.163 1.00 0.00 H ATOM 1506 HE21 GLN A 103 -16.156 -7.031 -6.180 1.00 0.00 H ATOM 1507 H GLN A 103 -15.171 -0.198 -4.759 1.00 0.00 H ATOM 1508 N LEU A 104 -14.352 -0.983 -8.812 1.00 33.45 N ATOM 1509 CA LEU A 104 -14.941 -0.663 -10.094 1.00 31.64 C ATOM 1510 C LEU A 104 -15.178 -1.941 -10.866 1.00 33.86 C ATOM 1511 O LEU A 104 -14.247 -2.704 -11.127 1.00 32.46 O ATOM 1512 CB LEU A 104 -14.056 0.276 -10.904 1.00 31.53 C ATOM 1513 CG LEU A 104 -14.657 0.558 -12.288 1.00 33.32 C ATOM 1514 CD1 LEU A 104 -15.929 1.411 -12.178 1.00 33.25 C ATOM 1515 CD2 LEU A 104 -13.672 1.194 -13.230 1.00 31.17 C ATOM 1516 HA LEU A 104 -15.887 -0.151 -9.916 1.00 0.00 H ATOM 1517 HB2 LEU A 104 -13.950 1.217 -10.365 1.00 0.00 H ATOM 1518 HB3 LEU A 104 -13.075 -0.182 -11.030 1.00 0.00 H ATOM 1519 HG LEU A 104 -14.923 -0.411 -12.711 1.00 0.00 H ATOM 1520 HD21 LEU A 104 -13.333 2.142 -12.813 1.00 0.00 H ATOM 1521 HD22 LEU A 104 -12.819 0.529 -13.365 1.00 0.00 H ATOM 1522 HD23 LEU A 104 -14.153 1.370 -14.192 1.00 0.00 H ATOM 1523 HD11 LEU A 104 -16.669 0.882 -11.578 1.00 0.00 H ATOM 1524 HD12 LEU A 104 -15.687 2.362 -11.703 1.00 0.00 H ATOM 1525 HD13 LEU A 104 -16.330 1.593 -13.175 1.00 0.00 H ATOM 1526 H LEU A 104 -13.338 -1.204 -8.749 1.00 0.00 H ATOM 1527 N THR A 105 -16.437 -2.175 -11.220 1.00 34.89 N ATOM 1528 CA THR A 105 -16.809 -3.309 -12.046 1.00 35.04 C ATOM 1529 C THR A 105 -17.090 -2.852 -13.480 1.00 35.66 C ATOM 1530 O THR A 105 -17.897 -1.949 -13.694 1.00 36.86 O ATOM 1531 CB THR A 105 -18.063 -3.998 -11.474 1.00 38.59 C ATOM 1532 OG1 THR A 105 -17.756 -4.569 -10.194 1.00 36.66 O ATOM 1533 CG2 THR A 105 -18.558 -5.094 -12.432 1.00 35.66 C ATOM 1534 HA THR A 105 -15.980 -4.017 -12.050 1.00 0.00 H ATOM 1535 HB THR A 105 -18.853 -3.255 -11.360 1.00 0.00 H ATOM 1536 HG1 THR A 105 -17.462 -3.853 -9.576 1.00 0.00 H ATOM 1537 HG23 THR A 105 -18.788 -4.651 -13.401 1.00 0.00 H ATOM 1538 HG21 THR A 105 -17.780 -5.848 -12.552 1.00 0.00 H ATOM 1539 HG22 THR A 105 -19.455 -5.557 -12.020 1.00 0.00 H ATOM 1540 H THR A 105 -17.180 -1.524 -10.895 1.00 0.00 H ATOM 1541 N VAL A 106 -16.401 -3.442 -14.453 1.00 37.64 N ATOM 1542 CA VAL A 106 -16.699 -3.218 -15.869 1.00 39.70 C ATOM 1543 C VAL A 106 -17.383 -4.498 -16.361 1.00 41.15 C ATOM 1544 O VAL A 106 -16.870 -5.593 -16.129 1.00 41.64 O ATOM 1545 CB VAL A 106 -15.397 -2.974 -16.675 1.00 39.48 C ATOM 1546 CG1 VAL A 106 -15.689 -2.713 -18.155 1.00 36.36 C ATOM 1547 CG2 VAL A 106 -14.593 -1.831 -16.069 1.00 37.09 C ATOM 1548 HA VAL A 106 -17.330 -2.339 -16.002 1.00 0.00 H ATOM 1549 HB VAL A 106 -14.799 -3.883 -16.617 1.00 0.00 H ATOM 1550 HG11 VAL A 106 -16.201 -3.576 -18.581 1.00 0.00 H ATOM 1551 HG12 VAL A 106 -16.322 -1.831 -18.249 1.00 0.00 H ATOM 1552 HG13 VAL A 106 -14.751 -2.547 -18.685 1.00 0.00 H ATOM 1553 HG21 VAL A 106 -15.192 -0.920 -16.083 1.00 0.00 H ATOM 1554 HG22 VAL A 106 -14.330 -2.079 -15.041 1.00 0.00 H ATOM 1555 HG23 VAL A 106 -13.684 -1.679 -16.652 1.00 0.00 H ATOM 1556 H VAL A 106 -15.624 -4.085 -14.199 1.00 0.00 H ATOM 1557 N LEU A 106A -18.548 -4.412 -16.987 1.00 60.63 N ATOM 1558 CA LEU A 106A -19.169 -5.662 -17.430 1.00 66.21 C ATOM 1559 C LEU A 106A -18.870 -6.039 -18.898 1.00 70.49 C ATOM 1560 O LEU A 106A -19.158 -7.162 -19.352 1.00 74.00 O ATOM 1561 CB LEU A 106A -20.665 -5.710 -17.111 1.00 67.13 C ATOM 1562 CG LEU A 106A -21.715 -4.975 -17.952 1.00 68.73 C ATOM 1563 CD1 LEU A 106A -21.473 -3.508 -17.865 1.00 64.82 C ATOM 1564 CD2 LEU A 106A -21.895 -5.467 -19.441 1.00 70.40 C ATOM 1565 HA LEU A 106A -18.685 -6.440 -16.839 1.00 0.00 H ATOM 1566 HB2 LEU A 106A -20.945 -6.763 -17.132 1.00 0.00 H ATOM 1567 HB3 LEU A 106A -20.770 -5.328 -16.096 1.00 0.00 H ATOM 1568 HG LEU A 106A -22.678 -5.230 -17.510 1.00 0.00 H ATOM 1569 HD21 LEU A 106A -20.952 -5.355 -19.976 1.00 0.00 H ATOM 1570 HD22 LEU A 106A -22.192 -6.516 -19.442 1.00 0.00 H ATOM 1571 HD23 LEU A 106A -22.665 -4.869 -19.929 1.00 0.00 H ATOM 1572 HD11 LEU A 106A -21.548 -3.190 -16.825 1.00 0.00 H ATOM 1573 HD12 LEU A 106A -20.476 -3.282 -18.244 1.00 0.00 H ATOM 1574 HD13 LEU A 106A -22.218 -2.982 -18.462 1.00 0.00 H ATOM 1575 H LEU A 106A -19.003 -3.493 -17.157 1.00 0.00 H TER 1576 LEU A 106A ATOM 1577 N GLN B 1 12.699 -5.502 -11.706 1.00 70.50 N ATOM 1578 CA GLN B 1 13.069 -6.396 -10.602 1.00 72.65 C ATOM 1579 C GLN B 1 13.923 -5.711 -9.504 1.00 69.46 C ATOM 1580 O GLN B 1 14.498 -6.378 -8.634 1.00 70.83 O ATOM 1581 CB GLN B 1 13.771 -7.664 -11.148 1.00 70.07 C ATOM 1582 HA GLN B 1 12.139 -6.683 -10.112 1.00 0.00 H ATOM 1583 HB2 GLN B 1 13.095 -8.191 -11.821 1.00 0.00 H ATOM 1584 HB3 GLN B 1 14.672 -7.375 -11.689 1.00 0.00 H ATOM 1585 HN3 GLN B 1 13.561 -5.142 -12.163 1.00 0.00 H ATOM 1586 HN2 GLN B 1 12.144 -4.705 -11.334 1.00 0.00 H ATOM 1587 HN1 GLN B 1 12.130 -6.028 -12.400 1.00 0.00 H ATOM 1588 N ALA B 2 13.983 -4.379 -9.537 1.00 46.72 N ATOM 1589 CA ALA B 2 14.857 -3.606 -8.648 1.00 45.53 C ATOM 1590 C ALA B 2 14.288 -3.364 -7.260 1.00 44.19 C ATOM 1591 O ALA B 2 13.084 -3.318 -7.072 1.00 46.61 O ATOM 1592 CB ALA B 2 15.190 -2.259 -9.287 1.00 44.13 C ATOM 1593 HA ALA B 2 15.750 -4.216 -8.516 1.00 0.00 H ATOM 1594 HB1 ALA B 2 15.699 -2.425 -10.237 1.00 0.00 H ATOM 1595 HB2 ALA B 2 14.269 -1.702 -9.459 1.00 0.00 H ATOM 1596 HB3 ALA B 2 15.839 -1.692 -8.620 1.00 0.00 H ATOM 1597 H ALA B 2 13.387 -3.869 -10.220 1.00 0.00 H ATOM 1598 N VAL B 3 15.155 -3.158 -6.281 1.00 37.65 N ATOM 1599 CA VAL B 3 14.679 -2.608 -5.031 1.00 35.95 C ATOM 1600 C VAL B 3 15.220 -1.196 -4.818 1.00 34.19 C ATOM 1601 O VAL B 3 16.239 -0.823 -5.397 1.00 36.80 O ATOM 1602 CB VAL B 3 15.032 -3.510 -3.849 1.00 37.51 C ATOM 1603 CG1 VAL B 3 14.148 -4.750 -3.875 1.00 34.08 C ATOM 1604 CG2 VAL B 3 16.518 -3.870 -3.863 1.00 36.73 C ATOM 1605 HA VAL B 3 13.592 -2.553 -5.089 1.00 0.00 H ATOM 1606 HB VAL B 3 14.845 -2.975 -2.918 1.00 0.00 H ATOM 1607 HG11 VAL B 3 13.102 -4.451 -3.805 1.00 0.00 H ATOM 1608 HG12 VAL B 3 14.311 -5.291 -4.807 1.00 0.00 H ATOM 1609 HG13 VAL B 3 14.401 -5.393 -3.032 1.00 0.00 H ATOM 1610 HG21 VAL B 3 16.755 -4.395 -4.788 1.00 0.00 H ATOM 1611 HG22 VAL B 3 17.112 -2.958 -3.799 1.00 0.00 H ATOM 1612 HG23 VAL B 3 16.743 -4.512 -3.012 1.00 0.00 H ATOM 1613 H VAL B 3 16.161 -3.388 -6.409 1.00 0.00 H ATOM 1614 N VAL B 4 14.530 -0.418 -3.987 1.00 33.91 N ATOM 1615 CA VAL B 4 14.978 0.929 -3.635 1.00 32.20 C ATOM 1616 C VAL B 4 16.051 0.947 -2.515 1.00 34.89 C ATOM 1617 O VAL B 4 15.907 0.295 -1.478 1.00 35.84 O ATOM 1618 CB VAL B 4 13.778 1.780 -3.231 1.00 33.19 C ATOM 1619 CG1 VAL B 4 14.201 3.198 -2.970 1.00 32.67 C ATOM 1620 CG2 VAL B 4 12.695 1.716 -4.326 1.00 33.05 C ATOM 1621 HA VAL B 4 15.455 1.347 -4.522 1.00 0.00 H ATOM 1622 HB VAL B 4 13.357 1.383 -2.307 1.00 0.00 H ATOM 1623 HG11 VAL B 4 14.934 3.214 -2.164 1.00 0.00 H ATOM 1624 HG12 VAL B 4 14.643 3.616 -3.874 1.00 0.00 H ATOM 1625 HG13 VAL B 4 13.331 3.788 -2.683 1.00 0.00 H ATOM 1626 HG21 VAL B 4 13.105 2.094 -5.263 1.00 0.00 H ATOM 1627 HG22 VAL B 4 12.375 0.683 -4.458 1.00 0.00 H ATOM 1628 HG23 VAL B 4 11.843 2.327 -4.028 1.00 0.00 H ATOM 1629 H VAL B 4 13.646 -0.779 -3.576 1.00 0.00 H ATOM 1630 N THR B 5 17.128 1.697 -2.716 1.00 33.05 N ATOM 1631 CA THR B 5 18.228 1.690 -1.747 1.00 36.29 C ATOM 1632 C THR B 5 18.404 3.043 -1.042 1.00 35.55 C ATOM 1633 O THR B 5 18.325 4.096 -1.666 1.00 36.45 O ATOM 1634 CB THR B 5 19.572 1.233 -2.413 1.00 35.92 C ATOM 1635 OG1 THR B 5 19.970 2.180 -3.414 1.00 38.54 O ATOM 1636 CG2 THR B 5 19.416 -0.132 -3.084 1.00 33.05 C ATOM 1637 HA THR B 5 17.957 0.963 -0.981 1.00 0.00 H ATOM 1638 HB THR B 5 20.324 1.168 -1.627 1.00 0.00 H ATOM 1639 HG1 THR B 5 20.099 3.067 -2.994 1.00 0.00 H ATOM 1640 HG23 THR B 5 19.113 -0.869 -2.340 1.00 0.00 H ATOM 1641 HG21 THR B 5 18.657 -0.068 -3.863 1.00 0.00 H ATOM 1642 HG22 THR B 5 20.367 -0.429 -3.525 1.00 0.00 H ATOM 1643 H THR B 5 17.192 2.293 -3.566 1.00 0.00 H ATOM 1644 N GLN B 6 18.621 3.011 0.264 1.00 32.53 N ATOM 1645 CA GLN B 6 18.839 4.231 1.048 1.00 32.36 C ATOM 1646 C GLN B 6 19.874 3.921 2.121 1.00 33.28 C ATOM 1647 O GLN B 6 19.776 2.885 2.765 1.00 33.21 O ATOM 1648 CB GLN B 6 17.535 4.696 1.735 1.00 28.81 C ATOM 1649 CG GLN B 6 16.468 5.271 0.806 1.00 29.29 C ATOM 1650 CD GLN B 6 15.236 5.800 1.546 1.00 28.32 C ATOM 1651 OE1 GLN B 6 14.190 5.155 1.575 1.00 29.26 O ATOM 1652 NE2 GLN B 6 15.356 6.976 2.136 1.00 28.90 N ATOM 1653 HA GLN B 6 19.177 5.026 0.383 1.00 0.00 H ATOM 1654 HB2 GLN B 6 17.104 3.838 2.251 1.00 0.00 H ATOM 1655 HB3 GLN B 6 17.795 5.464 2.463 1.00 0.00 H ATOM 1656 HG2 GLN B 6 16.909 6.091 0.239 1.00 0.00 H ATOM 1657 HG3 GLN B 6 16.149 4.487 0.120 1.00 0.00 H ATOM 1658 HE22 GLN B 6 16.258 7.492 2.089 1.00 0.00 H ATOM 1659 HE21 GLN B 6 14.549 7.386 2.647 1.00 0.00 H ATOM 1660 H GLN B 6 18.637 2.091 0.749 1.00 0.00 H ATOM 1661 N GLU B 7 20.859 4.793 2.317 1.00 45.38 N ATOM 1662 CA GLU B 7 21.742 4.653 3.476 1.00 47.86 C ATOM 1663 C GLU B 7 20.902 4.687 4.766 1.00 46.28 C ATOM 1664 O GLU B 7 20.053 5.547 4.933 1.00 44.68 O ATOM 1665 CB GLU B 7 22.839 5.727 3.477 1.00 49.34 C ATOM 1666 CG GLU B 7 23.678 5.769 4.756 1.00 61.84 C ATOM 1667 CD GLU B 7 25.170 5.434 4.539 1.00 70.02 C ATOM 1668 OE1 GLU B 7 25.493 4.244 4.261 1.00 68.85 O ATOM 1669 OE2 GLU B 7 26.018 6.361 4.663 1.00 70.07 O ATOM 1670 HA GLU B 7 22.253 3.692 3.421 1.00 0.00 H ATOM 1671 HB2 GLU B 7 23.506 5.535 2.637 1.00 0.00 H ATOM 1672 HB3 GLU B 7 22.365 6.700 3.347 1.00 0.00 H ATOM 1673 HG2 GLU B 7 23.609 6.771 5.179 1.00 0.00 H ATOM 1674 HG3 GLU B 7 23.264 5.049 5.462 1.00 0.00 H ATOM 1675 H GLU B 7 21.002 5.575 1.646 1.00 0.00 H ATOM 1676 N PRO B 8 21.102 3.702 5.649 1.00 40.22 N ATOM 1677 CA PRO B 8 20.381 3.537 6.924 1.00 38.22 C ATOM 1678 C PRO B 8 20.495 4.737 7.861 1.00 42.81 C ATOM 1679 O PRO B 8 19.511 5.142 8.476 1.00 43.36 O ATOM 1680 CB PRO B 8 21.078 2.339 7.568 1.00 42.81 C ATOM 1681 CG PRO B 8 21.655 1.567 6.415 1.00 43.77 C ATOM 1682 CD PRO B 8 21.994 2.564 5.352 1.00 39.99 C ATOM 1683 HA PRO B 8 19.312 3.417 6.746 1.00 0.00 H ATOM 1684 HD3 PRO B 8 23.041 2.862 5.416 1.00 0.00 H ATOM 1685 HD2 PRO B 8 21.793 2.160 4.360 1.00 0.00 H ATOM 1686 HG3 PRO B 8 20.924 0.851 6.039 1.00 0.00 H ATOM 1687 HG2 PRO B 8 22.553 1.035 6.731 1.00 0.00 H ATOM 1688 HB2 PRO B 8 21.868 2.670 8.242 1.00 0.00 H ATOM 1689 HB3 PRO B 8 20.363 1.729 8.120 1.00 0.00 H ATOM 1690 N SER B 9 21.685 5.300 7.992 1.00 50.61 N ATOM 1691 CA SER B 9 21.836 6.447 8.870 1.00 53.80 C ATOM 1692 C SER B 9 22.805 7.472 8.318 1.00 55.25 C ATOM 1693 O SER B 9 23.765 7.151 7.624 1.00 57.75 O ATOM 1694 CB SER B 9 22.238 6.028 10.289 1.00 57.54 C ATOM 1695 OG SER B 9 23.481 5.362 10.287 1.00 54.81 O ATOM 1696 HA SER B 9 20.856 6.921 8.923 1.00 0.00 H ATOM 1697 HB2 SER B 9 21.477 5.361 10.693 1.00 0.00 H ATOM 1698 HB3 SER B 9 22.311 6.917 10.916 1.00 0.00 H ATOM 1699 HG SER B 9 23.717 5.103 11.213 1.00 0.00 H ATOM 1700 H SER B 9 22.504 4.925 7.472 1.00 0.00 H ATOM 1701 N VAL B 11 22.517 8.719 8.646 1.00 51.17 N ATOM 1702 CA VAL B 11 23.219 9.860 8.114 1.00 52.01 C ATOM 1703 C VAL B 11 23.143 10.952 9.177 1.00 57.30 C ATOM 1704 O VAL B 11 22.127 11.096 9.876 1.00 53.82 O ATOM 1705 CB VAL B 11 22.555 10.324 6.802 1.00 52.87 C ATOM 1706 CG1 VAL B 11 22.531 11.817 6.714 1.00 55.81 C ATOM 1707 CG2 VAL B 11 23.269 9.732 5.589 1.00 56.40 C ATOM 1708 HA VAL B 11 24.257 9.619 7.884 1.00 0.00 H ATOM 1709 HB VAL B 11 21.526 9.963 6.805 1.00 0.00 H ATOM 1710 HG11 VAL B 11 21.966 12.220 7.555 1.00 0.00 H ATOM 1711 HG12 VAL B 11 23.552 12.198 6.744 1.00 0.00 H ATOM 1712 HG13 VAL B 11 22.057 12.117 5.779 1.00 0.00 H ATOM 1713 HG21 VAL B 11 24.310 10.055 5.588 1.00 0.00 H ATOM 1714 HG22 VAL B 11 23.225 8.644 5.638 1.00 0.00 H ATOM 1715 HG23 VAL B 11 22.780 10.076 4.678 1.00 0.00 H ATOM 1716 H VAL B 11 21.745 8.886 9.322 1.00 0.00 H ATOM 1717 N THR B 12 24.225 11.707 9.322 1.00 67.69 N ATOM 1718 CA THR B 12 24.271 12.762 10.322 1.00 67.17 C ATOM 1719 C THR B 12 24.499 14.130 9.682 1.00 65.79 C ATOM 1720 O THR B 12 24.940 14.234 8.534 1.00 67.87 O ATOM 1721 CB THR B 12 25.346 12.482 11.389 1.00 67.10 C ATOM 1722 OG1 THR B 12 25.497 11.070 11.563 1.00 69.40 O ATOM 1723 CG2 THR B 12 24.910 13.046 12.690 1.00 72.69 C ATOM 1724 HA THR B 12 23.299 12.776 10.815 1.00 0.00 H ATOM 1725 HB THR B 12 26.284 12.932 11.065 1.00 0.00 H ATOM 1726 HG1 THR B 12 26.189 10.895 12.249 1.00 0.00 H ATOM 1727 HG23 THR B 12 24.785 14.124 12.593 1.00 0.00 H ATOM 1728 HG21 THR B 12 23.962 12.594 12.981 1.00 0.00 H ATOM 1729 HG22 THR B 12 25.664 12.833 13.448 1.00 0.00 H ATOM 1730 H THR B 12 25.051 11.542 8.712 1.00 0.00 H ATOM 1731 N VAL B 13 24.177 15.179 10.429 1.00 49.12 N ATOM 1732 CA VAL B 13 24.380 16.543 9.963 1.00 50.15 C ATOM 1733 C VAL B 13 24.643 17.447 11.157 1.00 52.72 C ATOM 1734 O VAL B 13 24.174 17.201 12.273 1.00 54.02 O ATOM 1735 CB VAL B 13 23.165 17.066 9.141 1.00 47.67 C ATOM 1736 CG1 VAL B 13 21.977 17.371 10.051 1.00 46.32 C ATOM 1737 CG2 VAL B 13 23.550 18.293 8.315 1.00 49.18 C ATOM 1738 HA VAL B 13 25.242 16.551 9.296 1.00 0.00 H ATOM 1739 HB VAL B 13 22.864 16.277 8.451 1.00 0.00 H ATOM 1740 HG11 VAL B 13 21.680 16.463 10.575 1.00 0.00 H ATOM 1741 HG12 VAL B 13 22.263 18.133 10.776 1.00 0.00 H ATOM 1742 HG13 VAL B 13 21.144 17.734 9.449 1.00 0.00 H ATOM 1743 HG21 VAL B 13 23.889 19.086 8.981 1.00 0.00 H ATOM 1744 HG22 VAL B 13 24.351 18.028 7.625 1.00 0.00 H ATOM 1745 HG23 VAL B 13 22.683 18.637 7.751 1.00 0.00 H ATOM 1746 H VAL B 13 23.769 15.022 11.373 1.00 0.00 H ATOM 1747 N SER B 14 25.419 18.491 10.938 1.00 61.11 N ATOM 1748 CA SER B 14 25.645 19.443 12.003 1.00 65.14 C ATOM 1749 C SER B 14 24.524 20.476 11.920 1.00 62.38 C ATOM 1750 O SER B 14 24.007 20.731 10.833 1.00 61.63 O ATOM 1751 CB SER B 14 27.028 20.068 11.839 1.00 64.98 C ATOM 1752 OG SER B 14 27.984 19.053 11.557 1.00 63.11 O ATOM 1753 HA SER B 14 25.628 18.974 12.987 1.00 0.00 H ATOM 1754 HB2 SER B 14 27.305 20.581 12.760 1.00 0.00 H ATOM 1755 HB3 SER B 14 27.007 20.784 11.018 1.00 0.00 H ATOM 1756 HG SER B 14 28.879 19.464 11.452 1.00 0.00 H ATOM 1757 H SER B 14 25.864 18.628 10.008 1.00 0.00 H ATOM 1758 N PRO B 15 24.113 21.040 13.067 1.00 70.17 N ATOM 1759 CA PRO B 15 23.090 22.088 13.044 1.00 69.48 C ATOM 1760 C PRO B 15 23.521 23.205 12.114 1.00 72.14 C ATOM 1761 O PRO B 15 24.684 23.612 12.169 1.00 71.84 O ATOM 1762 CB PRO B 15 23.074 22.585 14.488 1.00 72.30 C ATOM 1763 CG PRO B 15 23.476 21.397 15.281 1.00 74.04 C ATOM 1764 CD PRO B 15 24.520 20.704 14.442 1.00 73.68 C ATOM 1765 HA PRO B 15 22.117 21.741 12.696 1.00 0.00 H ATOM 1766 HD3 PRO B 15 25.517 21.087 14.661 1.00 0.00 H ATOM 1767 HD2 PRO B 15 24.502 19.626 14.604 1.00 0.00 H ATOM 1768 HG3 PRO B 15 22.622 20.741 15.449 1.00 0.00 H ATOM 1769 HG2 PRO B 15 23.894 21.700 16.241 1.00 0.00 H ATOM 1770 HB2 PRO B 15 23.784 23.401 14.625 1.00 0.00 H ATOM 1771 HB3 PRO B 15 22.077 22.921 14.771 1.00 0.00 H ATOM 1772 N GLY B 16 22.611 23.658 11.254 1.00 63.05 N ATOM 1773 CA GLY B 16 22.907 24.708 10.295 1.00 58.26 C ATOM 1774 C GLY B 16 23.583 24.185 9.045 1.00 57.95 C ATOM 1775 O GLY B 16 23.801 24.928 8.086 1.00 58.82 O ATOM 1776 HA3 GLY B 16 23.565 25.437 10.768 1.00 0.00 H ATOM 1777 HA2 GLY B 16 21.974 25.193 10.010 1.00 0.00 H ATOM 1778 H GLY B 16 21.656 23.246 11.269 1.00 0.00 H ATOM 1779 N GLY B 17 23.914 22.897 9.058 1.00 51.81 N ATOM 1780 CA GLY B 17 24.603 22.269 7.949 1.00 50.15 C ATOM 1781 C GLY B 17 23.669 21.802 6.849 1.00 53.82 C ATOM 1782 O GLY B 17 22.445 21.730 7.030 1.00 52.99 O ATOM 1783 HA3 GLY B 17 25.152 21.406 8.326 1.00 0.00 H ATOM 1784 HA2 GLY B 17 25.305 22.988 7.526 1.00 0.00 H ATOM 1785 H GLY B 17 23.671 22.323 9.890 1.00 0.00 H ATOM 1786 N THR B 18 24.263 21.492 5.701 1.00 54.82 N ATOM 1787 CA THR B 18 23.554 20.958 4.554 1.00 53.39 C ATOM 1788 C THR B 18 23.847 19.464 4.441 1.00 55.01 C ATOM 1789 O THR B 18 25.003 19.047 4.529 1.00 53.59 O ATOM 1790 CB THR B 18 24.007 21.661 3.255 1.00 54.00 C ATOM 1791 OG1 THR B 18 23.527 23.016 3.240 1.00 55.71 O ATOM 1792 CG2 THR B 18 23.490 20.923 2.029 1.00 50.18 C ATOM 1793 HA THR B 18 22.486 21.128 4.690 1.00 0.00 H ATOM 1794 HB THR B 18 25.097 21.658 3.227 1.00 0.00 H ATOM 1795 HG1 THR B 18 23.821 23.460 2.405 1.00 0.00 H ATOM 1796 HG23 THR B 18 23.856 19.896 2.044 1.00 0.00 H ATOM 1797 HG21 THR B 18 22.400 20.922 2.040 1.00 0.00 H ATOM 1798 HG22 THR B 18 23.845 21.424 1.128 1.00 0.00 H ATOM 1799 H THR B 18 25.289 21.640 5.621 1.00 0.00 H ATOM 1800 N VAL B 19 22.802 18.663 4.247 1.00 50.56 N ATOM 1801 CA VAL B 19 22.953 17.215 4.125 1.00 46.63 C ATOM 1802 C VAL B 19 22.143 16.716 2.936 1.00 45.99 C ATOM 1803 O VAL B 19 21.043 17.205 2.670 1.00 46.79 O ATOM 1804 CB VAL B 19 22.527 16.474 5.422 1.00 48.90 C ATOM 1805 CG1 VAL B 19 20.991 16.540 5.638 1.00 47.10 C ATOM 1806 CG2 VAL B 19 23.006 15.036 5.400 1.00 46.28 C ATOM 1807 HA VAL B 19 24.009 16.999 3.965 1.00 0.00 H ATOM 1808 HB VAL B 19 22.999 16.982 6.263 1.00 0.00 H ATOM 1809 HG11 VAL B 19 20.681 17.582 5.718 1.00 0.00 H ATOM 1810 HG12 VAL B 19 20.486 16.073 4.792 1.00 0.00 H ATOM 1811 HG13 VAL B 19 20.731 16.011 6.555 1.00 0.00 H ATOM 1812 HG21 VAL B 19 22.572 14.523 4.542 1.00 0.00 H ATOM 1813 HG22 VAL B 19 24.093 15.018 5.324 1.00 0.00 H ATOM 1814 HG23 VAL B 19 22.696 14.537 6.318 1.00 0.00 H ATOM 1815 H VAL B 19 21.851 19.079 4.180 1.00 0.00 H ATOM 1816 N ILE B 20 22.695 15.754 2.207 1.00 42.21 N ATOM 1817 CA ILE B 20 22.020 15.202 1.045 1.00 37.05 C ATOM 1818 C ILE B 20 21.684 13.727 1.275 1.00 39.40 C ATOM 1819 O ILE B 20 22.574 12.902 1.497 1.00 37.53 O ATOM 1820 CB ILE B 20 22.883 15.342 -0.196 1.00 37.49 C ATOM 1821 CG1 ILE B 20 23.360 16.790 -0.342 1.00 44.87 C ATOM 1822 CG2 ILE B 20 22.118 14.935 -1.433 1.00 40.08 C ATOM 1823 CD1 ILE B 20 24.339 17.007 -1.530 1.00 43.45 C ATOM 1824 HA ILE B 20 21.096 15.760 0.894 1.00 0.00 H ATOM 1825 HB ILE B 20 23.745 14.683 -0.087 1.00 0.00 H ATOM 1826 HG12 ILE B 20 22.488 17.427 -0.493 1.00 0.00 H ATOM 1827 HG13 ILE B 20 23.866 17.081 0.579 1.00 0.00 H ATOM 1828 HD11 ILE B 20 25.223 16.385 -1.389 1.00 0.00 H ATOM 1829 HD12 ILE B 20 23.845 16.731 -2.462 1.00 0.00 H ATOM 1830 HD13 ILE B 20 24.633 18.056 -1.570 1.00 0.00 H ATOM 1831 HG21 ILE B 20 21.804 13.895 -1.339 1.00 0.00 H ATOM 1832 HG22 ILE B 20 21.240 15.572 -1.542 1.00 0.00 H ATOM 1833 HG23 ILE B 20 22.759 15.045 -2.308 1.00 0.00 H ATOM 1834 H ILE B 20 23.631 15.387 2.473 1.00 0.00 H ATOM 1835 N LEU B 21 20.394 13.404 1.248 1.00 39.95 N ATOM 1836 CA LEU B 21 19.967 12.023 1.384 1.00 35.48 C ATOM 1837 C LEU B 21 19.729 11.511 -0.010 1.00 35.75 C ATOM 1838 O LEU B 21 19.198 12.224 -0.856 1.00 37.01 O ATOM 1839 CB LEU B 21 18.686 11.913 2.195 1.00 36.13 C ATOM 1840 CG LEU B 21 18.721 12.538 3.590 1.00 40.43 C ATOM 1841 CD1 LEU B 21 17.423 12.228 4.306 1.00 34.33 C ATOM 1842 CD2 LEU B 21 19.908 12.030 4.386 1.00 39.77 C ATOM 1843 HA LEU B 21 20.727 11.444 1.908 1.00 0.00 H ATOM 1844 HB2 LEU B 21 17.891 12.400 1.631 1.00 0.00 H ATOM 1845 HB3 LEU B 21 18.453 10.854 2.309 1.00 0.00 H ATOM 1846 HG LEU B 21 18.832 13.618 3.493 1.00 0.00 H ATOM 1847 HD21 LEU B 21 19.838 10.947 4.490 1.00 0.00 H ATOM 1848 HD22 LEU B 21 20.830 12.287 3.865 1.00 0.00 H ATOM 1849 HD23 LEU B 21 19.906 12.492 5.373 1.00 0.00 H ATOM 1850 HD11 LEU B 21 16.589 12.642 3.739 1.00 0.00 H ATOM 1851 HD12 LEU B 21 17.305 11.148 4.391 1.00 0.00 H ATOM 1852 HD13 LEU B 21 17.444 12.672 5.301 1.00 0.00 H ATOM 1853 H LEU B 21 19.681 14.151 1.128 1.00 0.00 H ATOM 1854 N THR B 22 20.141 10.284 -0.271 1.00 35.13 N ATOM 1855 CA THR B 22 20.045 9.783 -1.623 1.00 36.98 C ATOM 1856 C THR B 22 19.257 8.513 -1.631 1.00 35.17 C ATOM 1857 O THR B 22 19.215 7.758 -0.650 1.00 34.64 O ATOM 1858 CB THR B 22 21.425 9.523 -2.283 1.00 39.13 C ATOM 1859 OG1 THR B 22 22.114 8.488 -1.570 1.00 36.06 O ATOM 1860 CG2 THR B 22 22.262 10.801 -2.309 1.00 36.16 C ATOM 1861 HA THR B 22 19.549 10.559 -2.207 1.00 0.00 H ATOM 1862 HB THR B 22 21.267 9.203 -3.313 1.00 0.00 H ATOM 1863 HG1 THR B 22 21.576 7.657 -1.595 1.00 0.00 H ATOM 1864 HG23 THR B 22 21.723 11.576 -2.854 1.00 0.00 H ATOM 1865 HG21 THR B 22 22.445 11.135 -1.288 1.00 0.00 H ATOM 1866 HG22 THR B 22 23.213 10.601 -2.803 1.00 0.00 H ATOM 1867 H THR B 22 20.529 9.686 0.486 1.00 0.00 H ATOM 1868 N CYS B 23 18.631 8.281 -2.768 1.00 36.87 N ATOM 1869 CA CYS B 23 17.750 7.157 -2.911 1.00 36.79 C ATOM 1870 C CYS B 23 18.084 6.541 -4.256 1.00 36.47 C ATOM 1871 O CYS B 23 18.061 7.225 -5.283 1.00 38.56 O ATOM 1872 CB CYS B 23 16.309 7.644 -2.864 1.00 34.32 C ATOM 1873 SG CYS B 23 15.162 6.430 -3.436 1.00 38.02 S ATOM 1874 HA CYS B 23 17.869 6.423 -2.114 1.00 0.00 H ATOM 1875 HB2 CYS B 23 16.220 8.531 -3.491 1.00 0.00 H ATOM 1876 HB3 CYS B 23 16.061 7.901 -1.834 1.00 0.00 H ATOM 1877 HG CYS B 23 15.328 6.493 -4.805 1.00 0.00 H ATOM 1878 H CYS B 23 18.778 8.922 -3.574 1.00 0.00 H ATOM 1879 N GLY B 24 18.423 5.259 -4.233 1.00 35.03 N ATOM 1880 CA GLY B 24 18.906 4.575 -5.412 1.00 35.24 C ATOM 1881 C GLY B 24 18.028 3.416 -5.838 1.00 34.82 C ATOM 1882 O GLY B 24 17.093 3.011 -5.145 1.00 34.37 O ATOM 1883 HA3 GLY B 24 19.906 4.193 -5.205 1.00 0.00 H ATOM 1884 HA2 GLY B 24 18.954 5.292 -6.232 1.00 0.00 H ATOM 1885 H GLY B 24 18.339 4.730 -3.341 1.00 0.00 H ATOM 1886 N SER B 25 18.325 2.900 -7.018 1.00 38.22 N ATOM 1887 CA SER B 25 17.711 1.689 -7.499 1.00 39.22 C ATOM 1888 C SER B 25 18.806 0.650 -7.550 1.00 43.32 C ATOM 1889 O SER B 25 19.922 0.959 -7.947 1.00 48.04 O ATOM 1890 CB SER B 25 17.140 1.916 -8.893 1.00 42.60 C ATOM 1891 OG SER B 25 16.716 0.691 -9.455 1.00 42.71 O ATOM 1892 HA SER B 25 16.894 1.371 -6.852 1.00 0.00 H ATOM 1893 HB2 SER B 25 17.908 2.357 -9.529 1.00 0.00 H ATOM 1894 HB3 SER B 25 16.290 2.595 -8.827 1.00 0.00 H ATOM 1895 HG SER B 25 16.348 0.854 -10.359 1.00 0.00 H ATOM 1896 H SER B 25 19.024 3.383 -7.618 1.00 0.00 H ATOM 1897 N SER B 26 18.501 -0.575 -7.146 1.00 41.82 N ATOM 1898 CA SER B 26 19.503 -1.639 -7.187 1.00 46.12 C ATOM 1899 C SER B 26 19.935 -2.089 -8.599 1.00 49.85 C ATOM 1900 O SER B 26 21.043 -2.608 -8.746 1.00 50.65 O ATOM 1901 CB SER B 26 19.064 -2.845 -6.356 1.00 43.07 C ATOM 1902 OG SER B 26 17.964 -3.497 -6.954 1.00 44.21 O ATOM 1903 HA SER B 26 20.392 -1.187 -6.747 1.00 0.00 H ATOM 1904 HB2 SER B 26 18.780 -2.507 -5.359 1.00 0.00 H ATOM 1905 HB3 SER B 26 19.895 -3.546 -6.278 1.00 0.00 H ATOM 1906 HG SER B 26 17.699 -4.272 -6.398 1.00 0.00 H ATOM 1907 H SER B 26 17.543 -0.781 -6.798 1.00 0.00 H ATOM 1908 N THR B 27 19.097 -1.890 -9.621 1.00 66.00 N ATOM 1909 CA THR B 27 19.428 -2.360 -10.973 1.00 70.03 C ATOM 1910 C THR B 27 20.020 -1.294 -11.872 1.00 72.22 C ATOM 1911 O THR B 27 20.849 -1.591 -12.730 1.00 76.76 O ATOM 1912 CB THR B 27 18.210 -2.898 -11.773 1.00 72.11 C ATOM 1913 OG1 THR B 27 17.286 -1.829 -12.054 1.00 68.98 O ATOM 1914 CG2 THR B 27 17.525 -4.038 -11.049 1.00 70.51 C ATOM 1915 HA THR B 27 20.148 -3.148 -10.754 1.00 0.00 H ATOM 1916 HB THR B 27 18.577 -3.296 -12.719 1.00 0.00 H ATOM 1917 HG1 THR B 27 16.516 -2.186 -12.564 1.00 0.00 H ATOM 1918 HG23 THR B 27 18.249 -4.829 -10.852 1.00 0.00 H ATOM 1919 HG21 THR B 27 17.116 -3.674 -10.106 1.00 0.00 H ATOM 1920 HG22 THR B 27 16.719 -4.429 -11.670 1.00 0.00 H ATOM 1921 H THR B 27 18.197 -1.395 -9.457 1.00 0.00 H ATOM 1922 N GLY B 27A 19.569 -0.059 -11.724 1.00 53.05 N ATOM 1923 CA GLY B 27A 20.029 0.967 -12.634 1.00 51.99 C ATOM 1924 C GLY B 27A 19.952 2.362 -12.067 1.00 50.97 C ATOM 1925 O GLY B 27A 19.993 2.553 -10.853 1.00 51.77 O ATOM 1926 HA3 GLY B 27A 19.417 0.928 -13.535 1.00 0.00 H ATOM 1927 HA2 GLY B 27A 21.067 0.757 -12.892 1.00 0.00 H ATOM 1928 H GLY B 27A 18.895 0.170 -10.966 1.00 0.00 H ATOM 1929 N ALA B 27B 19.837 3.337 -12.961 1.00 42.77 N ATOM 1930 CA ALA B 27B 19.847 4.729 -12.575 1.00 44.63 C ATOM 1931 C ALA B 27B 18.432 5.139 -12.246 1.00 46.32 C ATOM 1932 O ALA B 27B 17.477 4.584 -12.779 1.00 43.33 O ATOM 1933 CB ALA B 27B 20.385 5.585 -13.701 1.00 40.54 C ATOM 1934 HA ALA B 27B 20.491 4.867 -11.707 1.00 0.00 H ATOM 1935 HB1 ALA B 27B 21.403 5.274 -13.938 1.00 0.00 H ATOM 1936 HB2 ALA B 27B 19.753 5.465 -14.581 1.00 0.00 H ATOM 1937 HB3 ALA B 27B 20.385 6.630 -13.393 1.00 0.00 H ATOM 1938 H ALA B 27B 19.737 3.092 -13.967 1.00 0.00 H ATOM 1939 N VAL B 27C 18.302 6.116 -11.361 1.00 41.52 N ATOM 1940 CA VAL B 27C 17.016 6.699 -11.071 1.00 38.58 C ATOM 1941 C VAL B 27C 16.883 7.906 -11.975 1.00 40.56 C ATOM 1942 O VAL B 27C 17.788 8.738 -12.048 1.00 39.06 O ATOM 1943 CB VAL B 27C 16.936 7.122 -9.603 1.00 37.62 C ATOM 1944 CG1 VAL B 27C 15.639 7.889 -9.326 1.00 33.85 C ATOM 1945 CG2 VAL B 27C 17.040 5.883 -8.716 1.00 36.74 C ATOM 1946 HA VAL B 27C 16.212 5.983 -11.243 1.00 0.00 H ATOM 1947 HB VAL B 27C 17.765 7.792 -9.377 1.00 0.00 H ATOM 1948 HG11 VAL B 27C 15.605 8.781 -9.951 1.00 0.00 H ATOM 1949 HG12 VAL B 27C 14.785 7.251 -9.555 1.00 0.00 H ATOM 1950 HG13 VAL B 27C 15.607 8.178 -8.276 1.00 0.00 H ATOM 1951 HG21 VAL B 27C 16.220 5.203 -8.946 1.00 0.00 H ATOM 1952 HG22 VAL B 27C 17.991 5.384 -8.902 1.00 0.00 H ATOM 1953 HG23 VAL B 27C 16.983 6.181 -7.669 1.00 0.00 H ATOM 1954 H VAL B 27C 19.145 6.470 -10.865 1.00 0.00 H ATOM 1955 N THR B 28 15.767 7.995 -12.688 1.00 35.17 N ATOM 1956 CA THR B 28 15.522 9.149 -13.533 1.00 35.54 C ATOM 1957 C THR B 28 14.197 9.773 -13.131 1.00 37.35 C ATOM 1958 O THR B 28 13.477 9.232 -12.267 1.00 34.20 O ATOM 1959 CB THR B 28 15.444 8.743 -15.018 1.00 36.75 C ATOM 1960 OG1 THR B 28 14.299 7.894 -15.225 1.00 36.56 O ATOM 1961 CG2 THR B 28 16.691 7.992 -15.415 1.00 34.37 C ATOM 1962 HA THR B 28 16.343 9.854 -13.406 1.00 0.00 H ATOM 1963 HB THR B 28 15.354 9.643 -15.626 1.00 0.00 H ATOM 1964 HG1 THR B 28 14.250 7.634 -16.179 1.00 0.00 H ATOM 1965 HG23 THR B 28 17.562 8.629 -15.261 1.00 0.00 H ATOM 1966 HG21 THR B 28 16.783 7.094 -14.804 1.00 0.00 H ATOM 1967 HG22 THR B 28 16.626 7.712 -16.466 1.00 0.00 H ATOM 1968 H THR B 28 15.062 7.231 -12.641 1.00 0.00 H ATOM 1969 N SER B 29 13.861 10.888 -13.778 1.00 38.83 N ATOM 1970 CA SER B 29 12.650 11.619 -13.446 1.00 42.33 C ATOM 1971 C SER B 29 11.426 10.781 -13.814 1.00 38.53 C ATOM 1972 O SER B 29 10.346 10.970 -13.262 1.00 38.21 O ATOM 1973 CB SER B 29 12.636 13.002 -14.104 1.00 39.22 C ATOM 1974 OG SER B 29 12.782 12.881 -15.498 1.00 41.35 O ATOM 1975 HA SER B 29 12.622 11.797 -12.371 1.00 0.00 H ATOM 1976 HB2 SER B 29 13.458 13.598 -13.706 1.00 0.00 H ATOM 1977 HB3 SER B 29 11.690 13.496 -13.883 1.00 0.00 H ATOM 1978 HG SER B 29 12.771 13.782 -15.909 1.00 0.00 H ATOM 1979 H SER B 29 14.478 11.242 -14.536 1.00 0.00 H ATOM 1980 N GLY B 30 11.636 9.805 -14.696 1.00 37.81 N ATOM 1981 CA GLY B 30 10.623 8.807 -15.007 1.00 34.12 C ATOM 1982 C GLY B 30 10.214 7.899 -13.851 1.00 37.81 C ATOM 1983 O GLY B 30 9.218 7.181 -13.961 1.00 34.96 O ATOM 1984 HA3 GLY B 30 11.008 8.177 -15.809 1.00 0.00 H ATOM 1985 HA2 GLY B 30 9.732 9.330 -15.354 1.00 0.00 H ATOM 1986 H GLY B 30 12.556 9.754 -15.179 1.00 0.00 H ATOM 1987 N HIS B 31 10.969 7.919 -12.750 1.00 38.81 N ATOM 1988 CA HIS B 31 10.605 7.170 -11.552 1.00 38.10 C ATOM 1989 C HIS B 31 9.726 7.989 -10.610 1.00 38.44 C ATOM 1990 O HIS B 31 9.200 7.442 -9.634 1.00 35.55 O ATOM 1991 CB HIS B 31 11.850 6.713 -10.782 1.00 39.16 C ATOM 1992 CG HIS B 31 12.629 5.653 -11.489 1.00 43.72 C ATOM 1993 ND1 HIS B 31 13.845 5.900 -12.089 1.00 45.92 N ATOM 1994 CD2 HIS B 31 12.342 4.350 -11.726 1.00 43.52 C ATOM 1995 CE1 HIS B 31 14.284 4.786 -12.655 1.00 45.92 C ATOM 1996 NE2 HIS B 31 13.390 3.836 -12.452 1.00 44.28 N ATOM 1997 HA HIS B 31 10.044 6.301 -11.896 1.00 0.00 H ATOM 1998 HB2 HIS B 31 12.499 7.576 -10.630 1.00 0.00 H ATOM 1999 HB3 HIS B 31 11.534 6.323 -9.814 1.00 0.00 H ATOM 2000 HD2 HIS B 31 11.451 3.812 -11.403 1.00 0.00 H ATOM 2001 HE1 HIS B 31 15.223 4.673 -13.196 1.00 0.00 H ATOM 2002 H HIS B 31 11.842 8.485 -12.746 1.00 0.00 H ATOM 2003 N TYR B 32 9.605 9.294 -10.895 1.00 31.15 N ATOM 2004 CA TYR B 32 8.778 10.207 -10.108 1.00 29.88 C ATOM 2005 C TYR B 32 9.002 10.091 -8.588 1.00 32.06 C ATOM 2006 O TYR B 32 8.048 9.976 -7.821 1.00 29.81 O ATOM 2007 CB TYR B 32 7.308 9.966 -10.398 1.00 28.15 C ATOM 2008 CG TYR B 32 6.888 10.128 -11.844 1.00 31.02 C ATOM 2009 CD1 TYR B 32 6.311 11.318 -12.298 1.00 33.34 C ATOM 2010 CD2 TYR B 32 7.024 9.085 -12.748 1.00 32.20 C ATOM 2011 CE1 TYR B 32 5.904 11.466 -13.621 1.00 31.35 C ATOM 2012 CE2 TYR B 32 6.615 9.219 -14.074 1.00 31.07 C ATOM 2013 CZ TYR B 32 6.055 10.408 -14.502 1.00 31.72 C ATOM 2014 OH TYR B 32 5.646 10.532 -15.820 1.00 32.63 O ATOM 2015 HA TYR B 32 9.079 11.211 -10.408 1.00 0.00 H ATOM 2016 HB3 TYR B 32 6.729 10.670 -9.800 1.00 0.00 H ATOM 2017 HB2 TYR B 32 7.069 8.948 -10.092 1.00 0.00 H ATOM 2018 HD2 TYR B 32 7.459 8.143 -12.415 1.00 0.00 H ATOM 2019 HE2 TYR B 32 6.736 8.389 -14.771 1.00 0.00 H ATOM 2020 HE1 TYR B 32 5.470 12.406 -13.961 1.00 0.00 H ATOM 2021 HD1 TYR B 32 6.177 12.146 -11.602 1.00 0.00 H ATOM 2022 HH TYR B 32 5.270 11.436 -15.964 1.00 0.00 H ATOM 2023 H TYR B 32 10.123 9.674 -11.713 1.00 0.00 H ATOM 2024 N ALA B 33 10.258 10.142 -8.168 1.00 26.36 N ATOM 2025 CA ALA B 33 10.626 9.910 -6.779 1.00 25.62 C ATOM 2026 C ALA B 33 9.808 10.769 -5.814 1.00 27.88 C ATOM 2027 O ALA B 33 9.719 11.997 -5.980 1.00 27.93 O ATOM 2028 CB ALA B 33 12.121 10.178 -6.590 1.00 23.09 C ATOM 2029 HA ALA B 33 10.406 8.868 -6.547 1.00 0.00 H ATOM 2030 HB1 ALA B 33 12.693 9.509 -7.233 1.00 0.00 H ATOM 2031 HB2 ALA B 33 12.340 11.213 -6.855 1.00 0.00 H ATOM 2032 HB3 ALA B 33 12.391 10.003 -5.549 1.00 0.00 H ATOM 2033 H ALA B 33 11.008 10.356 -8.856 1.00 0.00 H ATOM 2034 N ASN B 34 9.201 10.123 -4.822 1.00 26.92 N ATOM 2035 CA ASN B 34 8.546 10.821 -3.711 1.00 28.50 C ATOM 2036 C ASN B 34 9.371 10.677 -2.432 1.00 27.94 C ATOM 2037 O ASN B 34 9.978 9.638 -2.196 1.00 25.84 O ATOM 2038 CB ASN B 34 7.173 10.231 -3.426 1.00 24.79 C ATOM 2039 CG ASN B 34 6.099 10.708 -4.390 1.00 30.31 C ATOM 2040 OD1 ASN B 34 5.005 11.121 -3.965 1.00 30.05 O ATOM 2041 ND2 ASN B 34 6.375 10.613 -5.689 1.00 28.62 N ATOM 2042 HA ASN B 34 8.454 11.867 -4.002 1.00 0.00 H ATOM 2043 HB2 ASN B 34 7.242 9.145 -3.495 1.00 0.00 H ATOM 2044 HB3 ASN B 34 6.879 10.512 -2.415 1.00 0.00 H ATOM 2045 HD22 ASN B 34 7.304 10.262 -5.999 1.00 0.00 H ATOM 2046 HD21 ASN B 34 5.662 10.890 -6.394 1.00 0.00 H ATOM 2047 H ASN B 34 9.191 9.083 -4.835 1.00 0.00 H ATOM 2048 N TRP B 35 9.365 11.710 -1.593 1.00 28.94 N ATOM 2049 CA TRP B 35 9.991 11.618 -0.281 1.00 27.81 C ATOM 2050 C TRP B 35 8.991 11.874 0.836 1.00 29.19 C ATOM 2051 O TRP B 35 8.103 12.716 0.714 1.00 30.03 O ATOM 2052 CB TRP B 35 11.130 12.609 -0.152 1.00 28.58 C ATOM 2053 CG TRP B 35 12.314 12.320 -1.017 1.00 29.66 C ATOM 2054 CD1 TRP B 35 12.497 12.707 -2.314 1.00 29.61 C ATOM 2055 CD2 TRP B 35 13.509 11.636 -0.631 1.00 30.87 C ATOM 2056 NE1 TRP B 35 13.722 12.288 -2.763 1.00 28.97 N ATOM 2057 CE2 TRP B 35 14.369 11.636 -1.749 1.00 31.15 C ATOM 2058 CE3 TRP B 35 13.936 11.019 0.552 1.00 32.85 C ATOM 2059 CZ2 TRP B 35 15.629 11.030 -1.727 1.00 31.60 C ATOM 2060 CZ3 TRP B 35 15.192 10.420 0.573 1.00 33.08 C ATOM 2061 CH2 TRP B 35 16.019 10.429 -0.561 1.00 32.25 C ATOM 2062 HA TRP B 35 10.376 10.602 -0.188 1.00 0.00 H ATOM 2063 HB2 TRP B 35 10.751 13.597 -0.414 1.00 0.00 H ATOM 2064 HB3 TRP B 35 11.461 12.612 0.886 1.00 0.00 H ATOM 2065 HE1 TRP B 35 14.099 12.441 -3.720 1.00 0.00 H ATOM 2066 HD1 TRP B 35 11.774 13.268 -2.906 1.00 0.00 H ATOM 2067 HZ2 TRP B 35 16.276 11.036 -2.605 1.00 0.00 H ATOM 2068 HH2 TRP B 35 16.995 9.946 -0.512 1.00 0.00 H ATOM 2069 HZ3 TRP B 35 15.539 9.936 1.486 1.00 0.00 H ATOM 2070 HE3 TRP B 35 13.299 11.008 1.436 1.00 0.00 H ATOM 2071 H TRP B 35 8.906 12.598 -1.879 1.00 0.00 H ATOM 2072 N PHE B 36 9.167 11.148 1.932 1.00 32.57 N ATOM 2073 CA PHE B 36 8.270 11.186 3.071 1.00 31.05 C ATOM 2074 C PHE B 36 9.098 11.335 4.350 1.00 33.95 C ATOM 2075 O PHE B 36 10.167 10.726 4.484 1.00 32.21 O ATOM 2076 CB PHE B 36 7.466 9.890 3.154 1.00 28.50 C ATOM 2077 CG PHE B 36 6.607 9.622 1.947 1.00 30.86 C ATOM 2078 CD1 PHE B 36 5.302 10.093 1.878 1.00 29.09 C ATOM 2079 CD2 PHE B 36 7.092 8.869 0.893 1.00 31.24 C ATOM 2080 CE1 PHE B 36 4.507 9.823 0.770 1.00 29.47 C ATOM 2081 CE2 PHE B 36 6.298 8.599 -0.219 1.00 31.25 C ATOM 2082 CZ PHE B 36 5.015 9.071 -0.283 1.00 27.66 C ATOM 2083 HA PHE B 36 7.585 12.027 2.958 1.00 0.00 H ATOM 2084 HB2 PHE B 36 8.164 9.061 3.269 1.00 0.00 H ATOM 2085 HB3 PHE B 36 6.819 9.943 4.030 1.00 0.00 H ATOM 2086 HD2 PHE B 36 8.110 8.481 0.933 1.00 0.00 H ATOM 2087 HE2 PHE B 36 6.700 8.009 -1.042 1.00 0.00 H ATOM 2088 HZ PHE B 36 4.395 8.859 -1.154 1.00 0.00 H ATOM 2089 HE1 PHE B 36 3.486 10.201 0.727 1.00 0.00 H ATOM 2090 HD1 PHE B 36 4.897 10.681 2.702 1.00 0.00 H ATOM 2091 H PHE B 36 9.993 10.517 1.977 1.00 0.00 H ATOM 2092 N GLN B 37 8.599 12.144 5.286 1.00 36.36 N ATOM 2093 CA GLN B 37 9.236 12.297 6.582 1.00 35.90 C ATOM 2094 C GLN B 37 8.466 11.580 7.669 1.00 35.12 C ATOM 2095 O GLN B 37 7.250 11.698 7.763 1.00 36.22 O ATOM 2096 CB GLN B 37 9.320 13.762 6.952 1.00 35.52 C ATOM 2097 CG GLN B 37 9.924 14.009 8.321 1.00 38.05 C ATOM 2098 CD GLN B 37 9.866 15.476 8.703 1.00 39.40 C ATOM 2099 OE1 GLN B 37 8.788 16.024 8.939 1.00 41.75 O ATOM 2100 NE2 GLN B 37 11.026 16.126 8.737 1.00 41.48 N ATOM 2101 HA GLN B 37 10.233 11.863 6.503 1.00 0.00 H ATOM 2102 HB2 GLN B 37 9.933 14.271 6.208 1.00 0.00 H ATOM 2103 HB3 GLN B 37 8.313 14.179 6.939 1.00 0.00 H ATOM 2104 HG2 GLN B 37 9.372 13.429 9.061 1.00 0.00 H ATOM 2105 HG3 GLN B 37 10.965 13.687 8.311 1.00 0.00 H ATOM 2106 HE22 GLN B 37 11.911 15.621 8.530 1.00 0.00 H ATOM 2107 HE21 GLN B 37 11.048 17.139 8.970 1.00 0.00 H ATOM 2108 H GLN B 37 7.731 12.679 5.082 1.00 0.00 H ATOM 2109 N GLN B 38 9.168 10.864 8.531 1.00 46.57 N ATOM 2110 CA GLN B 38 8.480 10.252 9.657 1.00 45.66 C ATOM 2111 C GLN B 38 9.230 10.301 10.989 1.00 48.58 C ATOM 2112 O GLN B 38 10.388 9.879 11.089 1.00 46.76 O ATOM 2113 CB GLN B 38 8.128 8.824 9.337 1.00 40.20 C ATOM 2114 CG GLN B 38 7.159 8.277 10.330 1.00 47.14 C ATOM 2115 CD GLN B 38 7.009 6.804 10.183 1.00 44.35 C ATOM 2116 OE1 GLN B 38 7.808 6.161 9.499 1.00 42.73 O ATOM 2117 NE2 GLN B 38 5.987 6.247 10.819 1.00 44.26 N ATOM 2118 HA GLN B 38 7.586 10.860 9.799 1.00 0.00 H ATOM 2119 HB2 GLN B 38 7.683 8.780 8.343 1.00 0.00 H ATOM 2120 HB3 GLN B 38 9.035 8.220 9.354 1.00 0.00 H ATOM 2121 HG2 GLN B 38 7.517 8.499 11.335 1.00 0.00 H ATOM 2122 HG3 GLN B 38 6.189 8.750 10.178 1.00 0.00 H ATOM 2123 HE22 GLN B 38 5.342 6.836 11.383 1.00 0.00 H ATOM 2124 HE21 GLN B 38 5.831 5.221 10.753 1.00 0.00 H ATOM 2125 H GLN B 38 10.193 10.741 8.406 1.00 0.00 H ATOM 2126 N LYS B 39 8.555 10.817 12.012 1.00 42.88 N ATOM 2127 CA LYS B 39 9.111 10.819 13.354 1.00 41.83 C ATOM 2128 C LYS B 39 8.570 9.602 14.079 1.00 40.08 C ATOM 2129 O LYS B 39 7.458 9.184 13.815 1.00 40.81 O ATOM 2130 CB LYS B 39 8.767 12.111 14.066 1.00 41.10 C ATOM 2131 CG LYS B 39 9.004 13.327 13.200 1.00 43.07 C ATOM 2132 CD LYS B 39 9.631 14.458 13.994 1.00 47.13 C ATOM 2133 CE LYS B 39 9.756 15.719 13.143 1.00 49.59 C ATOM 2134 NZ LYS B 39 10.192 16.886 13.973 1.00 57.00 N ATOM 2135 HA LYS B 39 10.199 10.764 13.327 1.00 0.00 H ATOM 2136 HB2 LYS B 39 7.716 12.084 14.352 1.00 0.00 H ATOM 2137 HB3 LYS B 39 9.384 12.193 14.961 1.00 0.00 H ATOM 2138 HG2 LYS B 39 9.671 13.056 12.382 1.00 0.00 H ATOM 2139 HG3 LYS B 39 8.051 13.665 12.793 1.00 0.00 H ATOM 2140 HD2 LYS B 39 9.007 14.673 14.862 1.00 0.00 H ATOM 2141 HD3 LYS B 39 10.623 14.153 14.328 1.00 0.00 H ATOM 2142 HE2 LYS B 39 8.789 15.943 12.693 1.00 0.00 H ATOM 2143 HE3 LYS B 39 10.490 15.547 12.356 1.00 0.00 H ATOM 2144 HZ1 LYS B 39 9.492 17.057 14.723 1.00 0.00 H ATOM 2145 HZ2 LYS B 39 11.117 16.679 14.401 1.00 0.00 H ATOM 2146 HZ3 LYS B 39 10.269 17.730 13.370 1.00 0.00 H ATOM 2147 H LYS B 39 7.613 11.226 11.848 1.00 0.00 H ATOM 2148 N PRO B 40 9.365 9.006 14.978 1.00 46.39 N ATOM 2149 CA PRO B 40 8.936 7.713 15.540 1.00 44.82 C ATOM 2150 C PRO B 40 7.578 7.772 16.271 1.00 44.68 C ATOM 2151 O PRO B 40 7.300 8.697 17.065 1.00 42.70 O ATOM 2152 CB PRO B 40 10.073 7.349 16.503 1.00 42.94 C ATOM 2153 CG PRO B 40 10.700 8.687 16.873 1.00 46.10 C ATOM 2154 CD PRO B 40 10.577 9.542 15.635 1.00 47.59 C ATOM 2155 HA PRO B 40 8.770 6.974 14.756 1.00 0.00 H ATOM 2156 HD3 PRO B 40 10.449 10.593 15.895 1.00 0.00 H ATOM 2157 HD2 PRO B 40 11.452 9.432 14.994 1.00 0.00 H ATOM 2158 HG3 PRO B 40 11.748 8.556 17.144 1.00 0.00 H ATOM 2159 HG2 PRO B 40 10.165 9.142 17.706 1.00 0.00 H ATOM 2160 HB2 PRO B 40 9.683 6.848 17.389 1.00 0.00 H ATOM 2161 HB3 PRO B 40 10.802 6.704 16.013 1.00 0.00 H ATOM 2162 N GLY B 41 6.732 6.789 15.965 1.00 34.41 N ATOM 2163 CA GLY B 41 5.391 6.726 16.515 1.00 36.61 C ATOM 2164 C GLY B 41 4.377 7.577 15.762 1.00 33.39 C ATOM 2165 O GLY B 41 3.165 7.463 15.969 1.00 33.15 O ATOM 2166 HA3 GLY B 41 5.427 7.068 17.549 1.00 0.00 H ATOM 2167 HA2 GLY B 41 5.057 5.689 16.488 1.00 0.00 H ATOM 2168 H GLY B 41 7.043 6.043 15.311 1.00 0.00 H ATOM 2169 N GLN B 42 4.868 8.429 14.872 1.00 35.75 N ATOM 2170 CA GLN B 42 4.002 9.432 14.275 1.00 37.06 C ATOM 2171 C GLN B 42 3.630 9.084 12.848 1.00 37.57 C ATOM 2172 O GLN B 42 4.347 8.348 12.177 1.00 35.08 O ATOM 2173 CB GLN B 42 4.662 10.810 14.354 1.00 36.50 C ATOM 2174 CG GLN B 42 5.062 11.163 15.775 1.00 40.85 C ATOM 2175 CD GLN B 42 5.521 12.599 15.928 1.00 38.27 C ATOM 2176 OE1 GLN B 42 4.896 13.510 15.395 1.00 39.02 O ATOM 2177 NE2 GLN B 42 6.622 12.803 16.651 1.00 40.34 N ATOM 2178 HA GLN B 42 3.073 9.455 14.845 1.00 0.00 H ATOM 2179 HB2 GLN B 42 5.553 10.811 13.726 1.00 0.00 H ATOM 2180 HB3 GLN B 42 3.960 11.559 13.988 1.00 0.00 H ATOM 2181 HG2 GLN B 42 4.203 11.002 16.427 1.00 0.00 H ATOM 2182 HG3 GLN B 42 5.876 10.505 16.080 1.00 0.00 H ATOM 2183 HE22 GLN B 42 7.117 11.997 17.083 1.00 0.00 H ATOM 2184 HE21 GLN B 42 6.986 13.768 16.783 1.00 0.00 H ATOM 2185 H GLN B 42 5.871 8.379 14.602 1.00 0.00 H ATOM 2186 N ALA B 43 2.495 9.609 12.403 1.00 33.78 N ATOM 2187 CA ALA B 43 2.072 9.487 11.021 1.00 33.30 C ATOM 2188 C ALA B 43 3.093 10.136 10.075 1.00 32.32 C ATOM 2189 O ALA B 43 3.549 11.258 10.321 1.00 34.30 O ATOM 2190 CB ALA B 43 0.725 10.143 10.862 1.00 31.86 C ATOM 2191 HA ALA B 43 2.002 8.431 10.762 1.00 0.00 H ATOM 2192 HB1 ALA B 43 0.003 9.650 11.513 1.00 0.00 H ATOM 2193 HB2 ALA B 43 0.801 11.196 11.133 1.00 0.00 H ATOM 2194 HB3 ALA B 43 0.400 10.056 9.825 1.00 0.00 H ATOM 2195 H ALA B 43 1.887 10.127 13.069 1.00 0.00 H ATOM 2196 N PRO B 44 3.464 9.430 8.994 1.00 34.38 N ATOM 2197 CA PRO B 44 4.397 9.959 7.992 1.00 35.02 C ATOM 2198 C PRO B 44 3.805 11.158 7.259 1.00 32.64 C ATOM 2199 O PRO B 44 2.591 11.314 7.160 1.00 33.74 O ATOM 2200 CB PRO B 44 4.590 8.774 7.025 1.00 34.73 C ATOM 2201 CG PRO B 44 3.330 7.984 7.166 1.00 34.05 C ATOM 2202 CD PRO B 44 2.984 8.085 8.634 1.00 34.86 C ATOM 2203 HA PRO B 44 5.328 10.314 8.433 1.00 0.00 H ATOM 2204 HD3 PRO B 44 1.909 7.997 8.791 1.00 0.00 H ATOM 2205 HD2 PRO B 44 3.498 7.317 9.212 1.00 0.00 H ATOM 2206 HG3 PRO B 44 3.492 6.945 6.878 1.00 0.00 H ATOM 2207 HG2 PRO B 44 2.536 8.410 6.552 1.00 0.00 H ATOM 2208 HB2 PRO B 44 4.715 9.126 6.001 1.00 0.00 H ATOM 2209 HB3 PRO B 44 5.456 8.177 7.311 1.00 0.00 H ATOM 2210 N ARG B 45 4.680 11.998 6.740 1.00 42.03 N ATOM 2211 CA ARG B 45 4.271 13.246 6.128 1.00 45.82 C ATOM 2212 C ARG B 45 4.972 13.360 4.766 1.00 44.63 C ATOM 2213 O ARG B 45 6.157 13.075 4.636 1.00 42.46 O ATOM 2214 CB ARG B 45 4.563 14.390 7.124 1.00 46.56 C ATOM 2215 CG ARG B 45 4.967 15.779 6.601 1.00 52.15 C ATOM 2216 CD ARG B 45 5.101 16.744 7.828 1.00 58.52 C ATOM 2217 NE ARG B 45 5.132 18.169 7.483 1.00 57.33 N ATOM 2218 CZ ARG B 45 6.206 18.959 7.608 1.00 65.07 C ATOM 2219 NH1 ARG B 45 7.365 18.477 8.080 1.00 65.12 N ATOM 2220 NH2 ARG B 45 6.130 20.247 7.261 1.00 60.22 N ATOM 2221 HA ARG B 45 3.202 13.300 5.920 1.00 0.00 H ATOM 2222 HB2 ARG B 45 3.660 14.528 7.719 1.00 0.00 H ATOM 2223 HB3 ARG B 45 5.373 14.048 7.768 1.00 0.00 H ATOM 2224 HG2 ARG B 45 5.920 15.713 6.077 1.00 0.00 H ATOM 2225 HG3 ARG B 45 4.204 16.153 5.919 1.00 0.00 H ATOM 2226 HD2 ARG B 45 6.025 16.501 8.353 1.00 0.00 H ATOM 2227 HD3 ARG B 45 4.252 16.573 8.490 1.00 0.00 H ATOM 2228 HE ARG B 45 4.258 18.596 7.115 1.00 0.00 H ATOM 2229 HH12 ARG B 45 8.190 19.103 8.171 1.00 0.00 H ATOM 2230 HH11 ARG B 45 7.439 17.477 8.355 1.00 0.00 H ATOM 2231 HH22 ARG B 45 6.963 20.862 7.358 1.00 0.00 H ATOM 2232 HH21 ARG B 45 5.237 20.635 6.894 1.00 0.00 H ATOM 2233 H ARG B 45 5.691 11.758 6.771 1.00 0.00 H ATOM 2234 N ALA B 46 4.205 13.707 3.741 1.00 34.65 N ATOM 2235 CA ALA B 46 4.728 13.817 2.379 1.00 35.11 C ATOM 2236 C ALA B 46 5.478 15.134 2.207 1.00 33.77 C ATOM 2237 O ALA B 46 4.981 16.192 2.611 1.00 35.31 O ATOM 2238 CB ALA B 46 3.584 13.711 1.363 1.00 33.25 C ATOM 2239 HA ALA B 46 5.425 12.998 2.202 1.00 0.00 H ATOM 2240 HB1 ALA B 46 3.086 12.748 1.478 1.00 0.00 H ATOM 2241 HB2 ALA B 46 2.869 14.515 1.538 1.00 0.00 H ATOM 2242 HB3 ALA B 46 3.987 13.794 0.354 1.00 0.00 H ATOM 2243 H ALA B 46 3.199 13.907 3.911 1.00 0.00 H ATOM 2244 N LEU B 47 6.661 15.063 1.597 1.00 35.24 N ATOM 2245 CA LEU B 47 7.541 16.217 1.466 1.00 33.65 C ATOM 2246 C LEU B 47 7.818 16.604 0.019 1.00 34.93 C ATOM 2247 O LEU B 47 7.870 17.789 -0.309 1.00 35.82 O ATOM 2248 CB LEU B 47 8.877 15.906 2.114 1.00 34.87 C ATOM 2249 CG LEU B 47 8.883 15.634 3.609 1.00 39.41 C ATOM 2250 CD1 LEU B 47 10.279 15.165 3.960 1.00 44.19 C ATOM 2251 CD2 LEU B 47 8.527 16.899 4.387 1.00 39.47 C ATOM 2252 HA LEU B 47 7.028 17.048 1.950 1.00 0.00 H ATOM 2253 HB2 LEU B 47 9.283 15.024 1.619 1.00 0.00 H ATOM 2254 HB3 LEU B 47 9.534 16.757 1.934 1.00 0.00 H ATOM 2255 HG LEU B 47 8.142 14.879 3.871 1.00 0.00 H ATOM 2256 HD21 LEU B 47 9.257 17.677 4.166 1.00 0.00 H ATOM 2257 HD22 LEU B 47 7.533 17.237 4.093 1.00 0.00 H ATOM 2258 HD23 LEU B 47 8.537 16.682 5.455 1.00 0.00 H ATOM 2259 HD11 LEU B 47 10.508 14.259 3.399 1.00 0.00 H ATOM 2260 HD12 LEU B 47 10.998 15.944 3.704 1.00 0.00 H ATOM 2261 HD13 LEU B 47 10.333 14.956 5.028 1.00 0.00 H ATOM 2262 H LEU B 47 6.967 14.152 1.200 1.00 0.00 H ATOM 2263 N ILE B 48 8.046 15.598 -0.827 1.00 30.57 N ATOM 2264 CA ILE B 48 8.448 15.798 -2.210 1.00 30.99 C ATOM 2265 C ILE B 48 7.748 14.796 -3.121 1.00 32.27 C ATOM 2266 O ILE B 48 7.636 13.607 -2.773 1.00 32.88 O ATOM 2267 CB ILE B 48 9.968 15.572 -2.394 1.00 33.19 C ATOM 2268 CG1 ILE B 48 10.777 16.502 -1.475 1.00 34.72 C ATOM 2269 CG2 ILE B 48 10.377 15.740 -3.877 1.00 29.38 C ATOM 2270 CD1 ILE B 48 10.738 17.965 -1.877 1.00 33.12 C ATOM 2271 HA ILE B 48 8.179 16.823 -2.466 1.00 0.00 H ATOM 2272 HB ILE B 48 10.197 14.546 -2.105 1.00 0.00 H ATOM 2273 HG12 ILE B 48 10.379 16.415 -0.464 1.00 0.00 H ATOM 2274 HG13 ILE B 48 11.816 16.173 -1.484 1.00 0.00 H ATOM 2275 HD11 ILE B 48 11.145 18.075 -2.882 1.00 0.00 H ATOM 2276 HD12 ILE B 48 9.707 18.318 -1.861 1.00 0.00 H ATOM 2277 HD13 ILE B 48 11.334 18.549 -1.176 1.00 0.00 H ATOM 2278 HG21 ILE B 48 9.838 15.014 -4.486 1.00 0.00 H ATOM 2279 HG22 ILE B 48 10.130 16.748 -4.209 1.00 0.00 H ATOM 2280 HG23 ILE B 48 11.450 15.576 -3.978 1.00 0.00 H ATOM 2281 H ILE B 48 7.931 14.624 -0.481 1.00 0.00 H ATOM 2282 N PHE B 49 7.277 15.264 -4.276 1.00 30.78 N ATOM 2283 CA PHE B 49 6.756 14.366 -5.304 1.00 31.11 C ATOM 2284 C PHE B 49 7.351 14.722 -6.661 1.00 33.47 C ATOM 2285 O PHE B 49 7.936 15.806 -6.817 1.00 31.99 O ATOM 2286 CB PHE B 49 5.225 14.398 -5.356 1.00 31.10 C ATOM 2287 CG PHE B 49 4.650 15.742 -5.719 1.00 32.69 C ATOM 2288 CD1 PHE B 49 4.534 16.751 -4.761 1.00 30.61 C ATOM 2289 CD2 PHE B 49 4.190 15.988 -7.008 1.00 31.51 C ATOM 2290 CE1 PHE B 49 3.991 17.973 -5.091 1.00 31.55 C ATOM 2291 CE2 PHE B 49 3.645 17.224 -7.346 1.00 31.08 C ATOM 2292 CZ PHE B 49 3.543 18.217 -6.387 1.00 32.59 C ATOM 2293 HA PHE B 49 7.051 13.349 -5.046 1.00 0.00 H ATOM 2294 HB2 PHE B 49 4.892 13.671 -6.097 1.00 0.00 H ATOM 2295 HB3 PHE B 49 4.843 14.116 -4.375 1.00 0.00 H ATOM 2296 HD2 PHE B 49 4.257 15.204 -7.763 1.00 0.00 H ATOM 2297 HE2 PHE B 49 3.300 17.409 -8.363 1.00 0.00 H ATOM 2298 HZ PHE B 49 3.114 19.185 -6.645 1.00 0.00 H ATOM 2299 HE1 PHE B 49 3.911 18.753 -4.334 1.00 0.00 H ATOM 2300 HD1 PHE B 49 4.876 16.570 -3.742 1.00 0.00 H ATOM 2301 H PHE B 49 7.280 16.289 -4.449 1.00 0.00 H ATOM 2302 N GLU B 50 7.225 13.802 -7.626 1.00 35.53 N ATOM 2303 CA GLU B 50 7.704 14.036 -8.979 1.00 36.51 C ATOM 2304 C GLU B 50 9.155 14.543 -8.975 1.00 38.90 C ATOM 2305 O GLU B 50 9.473 15.580 -9.568 1.00 36.69 O ATOM 2306 CB GLU B 50 6.791 15.024 -9.716 1.00 34.51 C ATOM 2307 CG GLU B 50 7.072 15.047 -11.212 1.00 39.15 C ATOM 2308 CD GLU B 50 6.178 15.978 -12.005 1.00 41.97 C ATOM 2309 OE1 GLU B 50 5.634 16.964 -11.451 1.00 44.53 O ATOM 2310 OE2 GLU B 50 6.018 15.712 -13.216 1.00 46.68 O ATOM 2311 HA GLU B 50 7.681 13.084 -9.509 1.00 0.00 H ATOM 2312 HB2 GLU B 50 5.753 14.732 -9.556 1.00 0.00 H ATOM 2313 HB3 GLU B 50 6.952 16.023 -9.311 1.00 0.00 H ATOM 2314 HG2 GLU B 50 8.106 15.359 -11.360 1.00 0.00 H ATOM 2315 HG3 GLU B 50 6.940 14.037 -11.599 1.00 0.00 H ATOM 2316 H GLU B 50 6.771 12.894 -7.401 1.00 0.00 H ATOM 2317 N THR B 51 10.014 13.814 -8.268 1.00 30.37 N ATOM 2318 CA THR B 51 11.417 14.183 -8.097 1.00 30.80 C ATOM 2319 C THR B 51 11.699 15.475 -7.309 1.00 31.41 C ATOM 2320 O THR B 51 12.505 15.459 -6.377 1.00 32.91 O ATOM 2321 CB THR B 51 12.169 14.227 -9.444 1.00 31.02 C ATOM 2322 OG1 THR B 51 12.112 12.939 -10.066 1.00 28.90 O ATOM 2323 CG2 THR B 51 13.613 14.614 -9.221 1.00 33.27 C ATOM 2324 HA THR B 51 11.797 13.376 -7.470 1.00 0.00 H ATOM 2325 HB THR B 51 11.697 14.968 -10.090 1.00 0.00 H ATOM 2326 HG1 THR B 51 12.535 12.269 -9.473 1.00 0.00 H ATOM 2327 HG23 THR B 51 13.656 15.595 -8.747 1.00 0.00 H ATOM 2328 HG21 THR B 51 14.090 13.876 -8.576 1.00 0.00 H ATOM 2329 HG22 THR B 51 14.131 14.649 -10.180 1.00 0.00 H ATOM 2330 H THR B 51 9.671 12.942 -7.817 1.00 0.00 H ATOM 2331 N ASP B 52 11.085 16.596 -7.680 1.00 33.01 N ATOM 2332 CA ASP B 52 11.481 17.873 -7.063 1.00 35.02 C ATOM 2333 C ASP B 52 10.345 18.846 -6.760 1.00 34.95 C ATOM 2334 O ASP B 52 10.584 20.041 -6.582 1.00 37.51 O ATOM 2335 CB ASP B 52 12.537 18.598 -7.912 1.00 36.67 C ATOM 2336 CG ASP B 52 12.040 18.925 -9.324 1.00 41.99 C ATOM 2337 OD1 ASP B 52 10.808 18.901 -9.581 1.00 38.88 O ATOM 2338 OD2 ASP B 52 12.894 19.202 -10.196 1.00 45.43 O ATOM 2339 HA ASP B 52 11.888 17.571 -6.098 1.00 0.00 H ATOM 2340 HB2 ASP B 52 12.807 19.529 -7.413 1.00 0.00 H ATOM 2341 HB3 ASP B 52 13.418 17.961 -7.991 1.00 0.00 H ATOM 2342 H ASP B 52 10.333 16.570 -8.398 1.00 0.00 H ATOM 2343 N LYS B 53 9.118 18.349 -6.710 1.00 39.73 N ATOM 2344 CA LYS B 53 7.988 19.208 -6.423 1.00 38.11 C ATOM 2345 C LYS B 53 7.683 19.241 -4.925 1.00 39.65 C ATOM 2346 O LYS B 53 7.664 18.193 -4.258 1.00 38.31 O ATOM 2347 CB LYS B 53 6.764 18.754 -7.207 1.00 39.26 C ATOM 2348 CG LYS B 53 6.929 18.761 -8.712 1.00 38.39 C ATOM 2349 CD LYS B 53 7.017 20.171 -9.252 1.00 44.70 C ATOM 2350 CE LYS B 53 7.343 20.157 -10.735 1.00 46.09 C ATOM 2351 NZ LYS B 53 8.695 19.561 -10.950 1.00 50.71 N ATOM 2352 HA LYS B 53 8.247 20.220 -6.733 1.00 0.00 H ATOM 2353 HB2 LYS B 53 6.522 17.737 -6.898 1.00 0.00 H ATOM 2354 HB3 LYS B 53 5.936 19.416 -6.954 1.00 0.00 H ATOM 2355 HG2 LYS B 53 7.842 18.224 -8.971 1.00 0.00 H ATOM 2356 HG3 LYS B 53 6.073 18.260 -9.165 1.00 0.00 H ATOM 2357 HD2 LYS B 53 6.062 20.673 -9.100 1.00 0.00 H ATOM 2358 HD3 LYS B 53 7.799 20.711 -8.718 1.00 0.00 H ATOM 2359 HE2 LYS B 53 7.332 21.177 -11.118 1.00 0.00 H ATOM 2360 HE3 LYS B 53 6.597 19.564 -11.264 1.00 0.00 H ATOM 2361 HZ1 LYS B 53 9.407 20.128 -10.446 1.00 0.00 H ATOM 2362 HZ2 LYS B 53 8.705 18.587 -10.586 1.00 0.00 H ATOM 2363 HZ3 LYS B 53 8.912 19.554 -11.967 1.00 0.00 H ATOM 2364 H LYS B 53 8.965 17.334 -6.878 1.00 0.00 H ATOM 2365 N LYS B 54 7.443 20.446 -4.405 1.00 36.13 N ATOM 2366 CA LYS B 54 7.138 20.613 -2.998 1.00 37.83 C ATOM 2367 C LYS B 54 5.642 20.781 -2.742 1.00 41.47 C ATOM 2368 O LYS B 54 4.900 21.252 -3.602 1.00 40.47 O ATOM 2369 CB LYS B 54 7.853 21.826 -2.432 1.00 41.27 C ATOM 2370 CG LYS B 54 9.347 21.880 -2.681 1.00 44.09 C ATOM 2371 CD LYS B 54 9.952 22.930 -1.762 1.00 44.72 C ATOM 2372 CE LYS B 54 11.267 23.434 -2.280 1.00 47.05 C ATOM 2373 NZ LYS B 54 11.984 24.160 -1.196 1.00 51.44 N ATOM 2374 HA LYS B 54 7.480 19.703 -2.505 1.00 0.00 H ATOM 2375 HB2 LYS B 54 7.406 22.716 -2.875 1.00 0.00 H ATOM 2376 HB3 LYS B 54 7.692 21.838 -1.354 1.00 0.00 H ATOM 2377 HG2 LYS B 54 9.791 20.907 -2.470 1.00 0.00 H ATOM 2378 HG3 LYS B 54 9.537 22.147 -3.720 1.00 0.00 H ATOM 2379 HD2 LYS B 54 9.260 23.768 -1.680 1.00 0.00 H ATOM 2380 HD3 LYS B 54 10.106 22.490 -0.777 1.00 0.00 H ATOM 2381 HE2 LYS B 54 11.093 24.110 -3.117 1.00 0.00 H ATOM 2382 HE3 LYS B 54 11.872 22.592 -2.615 1.00 0.00 H ATOM 2383 HZ1 LYS B 54 11.406 24.964 -0.877 1.00 0.00 H ATOM 2384 HZ2 LYS B 54 12.150 23.513 -0.399 1.00 0.00 H ATOM 2385 HZ3 LYS B 54 12.895 24.508 -1.557 1.00 0.00 H ATOM 2386 H LYS B 54 7.475 21.283 -5.022 1.00 0.00 H ATOM 2387 N TYR B 55 5.212 20.389 -1.546 1.00 34.66 N ATOM 2388 CA TYR B 55 3.883 20.690 -1.080 1.00 34.54 C ATOM 2389 C TYR B 55 3.907 22.071 -0.463 1.00 37.94 C ATOM 2390 O TYR B 55 4.980 22.620 -0.209 1.00 41.80 O ATOM 2391 CB TYR B 55 3.452 19.656 -0.053 1.00 33.45 C ATOM 2392 CG TYR B 55 3.388 18.280 -0.647 1.00 33.38 C ATOM 2393 CD1 TYR B 55 2.321 17.907 -1.441 1.00 31.16 C ATOM 2394 CD2 TYR B 55 4.409 17.360 -0.442 1.00 31.66 C ATOM 2395 CE1 TYR B 55 2.267 16.660 -2.011 1.00 28.74 C ATOM 2396 CE2 TYR B 55 4.358 16.104 -0.997 1.00 30.78 C ATOM 2397 CZ TYR B 55 3.276 15.759 -1.780 1.00 30.55 C ATOM 2398 OH TYR B 55 3.199 14.512 -2.349 1.00 29.97 O ATOM 2399 HA TYR B 55 3.172 20.664 -1.905 1.00 0.00 H ATOM 2400 HB3 TYR B 55 2.466 19.924 0.327 1.00 0.00 H ATOM 2401 HB2 TYR B 55 4.168 19.654 0.769 1.00 0.00 H ATOM 2402 HD2 TYR B 55 5.266 17.640 0.170 1.00 0.00 H ATOM 2403 HE2 TYR B 55 5.162 15.390 -0.821 1.00 0.00 H ATOM 2404 HE1 TYR B 55 1.425 16.386 -2.646 1.00 0.00 H ATOM 2405 HD1 TYR B 55 1.510 18.614 -1.617 1.00 0.00 H ATOM 2406 HH TYR B 55 3.976 14.375 -2.947 1.00 0.00 H ATOM 2407 H TYR B 55 5.854 19.850 -0.930 1.00 0.00 H ATOM 2408 N SER B 56 2.733 22.636 -0.221 1.00 40.24 N ATOM 2409 CA SER B 56 2.647 23.939 0.428 1.00 42.98 C ATOM 2410 C SER B 56 3.323 23.902 1.800 1.00 44.54 C ATOM 2411 O SER B 56 3.884 24.904 2.243 1.00 48.15 O ATOM 2412 CB SER B 56 1.186 24.362 0.583 1.00 42.20 C ATOM 2413 OG SER B 56 0.526 23.538 1.534 1.00 44.48 O ATOM 2414 HA SER B 56 3.163 24.666 -0.199 1.00 0.00 H ATOM 2415 HB2 SER B 56 0.683 24.273 -0.380 1.00 0.00 H ATOM 2416 HB3 SER B 56 1.146 25.399 0.918 1.00 0.00 H ATOM 2417 HG SER B 56 -0.417 23.826 1.621 1.00 0.00 H ATOM 2418 H SER B 56 1.860 22.143 -0.498 1.00 0.00 H ATOM 2419 N TRP B 57 3.284 22.752 2.471 1.00 37.57 N ATOM 2420 CA TRP B 57 3.889 22.637 3.808 1.00 39.81 C ATOM 2421 C TRP B 57 5.354 22.141 3.811 1.00 41.37 C ATOM 2422 O TRP B 57 5.937 21.926 4.882 1.00 41.40 O ATOM 2423 CB TRP B 57 3.063 21.693 4.671 1.00 37.78 C ATOM 2424 CG TRP B 57 2.927 20.335 4.042 1.00 38.13 C ATOM 2425 CD1 TRP B 57 3.843 19.327 4.073 1.00 38.04 C ATOM 2426 CD2 TRP B 57 1.818 19.849 3.275 1.00 35.93 C ATOM 2427 NE1 TRP B 57 3.369 18.239 3.385 1.00 36.64 N ATOM 2428 CE2 TRP B 57 2.126 18.532 2.888 1.00 34.76 C ATOM 2429 CE3 TRP B 57 0.584 20.396 2.894 1.00 36.55 C ATOM 2430 CZ2 TRP B 57 1.251 17.749 2.128 1.00 34.31 C ATOM 2431 CZ3 TRP B 57 -0.279 19.625 2.142 1.00 35.97 C ATOM 2432 CH2 TRP B 57 0.059 18.311 1.767 1.00 35.85 C ATOM 2433 HA TRP B 57 3.896 23.651 4.207 1.00 0.00 H ATOM 2434 HB2 TRP B 57 3.549 21.586 5.641 1.00 0.00 H ATOM 2435 HB3 TRP B 57 2.069 22.119 4.809 1.00 0.00 H ATOM 2436 HE1 TRP B 57 3.872 17.337 3.261 1.00 0.00 H ATOM 2437 HD1 TRP B 57 4.811 19.378 4.572 1.00 0.00 H ATOM 2438 HZ2 TRP B 57 1.510 16.731 1.835 1.00 0.00 H ATOM 2439 HH2 TRP B 57 -0.647 17.728 1.175 1.00 0.00 H ATOM 2440 HZ3 TRP B 57 -1.238 20.040 1.833 1.00 0.00 H ATOM 2441 HE3 TRP B 57 0.312 21.410 3.186 1.00 0.00 H ATOM 2442 H TRP B 57 2.820 21.925 2.045 1.00 0.00 H ATOM 2443 N THR B 58 5.941 21.924 2.635 1.00 34.36 N ATOM 2444 CA THR B 58 7.330 21.497 2.600 1.00 36.06 C ATOM 2445 C THR B 58 8.226 22.670 2.988 1.00 35.68 C ATOM 2446 O THR B 58 8.197 23.715 2.334 1.00 35.81 O ATOM 2447 CB THR B 58 7.746 20.975 1.207 1.00 33.79 C ATOM 2448 OG1 THR B 58 6.899 19.885 0.828 1.00 31.22 O ATOM 2449 CG2 THR B 58 9.188 20.494 1.221 1.00 33.01 C ATOM 2450 HA THR B 58 7.443 20.675 3.307 1.00 0.00 H ATOM 2451 HB THR B 58 7.649 21.793 0.493 1.00 0.00 H ATOM 2452 HG1 THR B 58 7.169 19.554 -0.065 1.00 0.00 H ATOM 2453 HG23 THR B 58 9.842 21.318 1.509 1.00 0.00 H ATOM 2454 HG21 THR B 58 9.291 19.679 1.938 1.00 0.00 H ATOM 2455 HG22 THR B 58 9.462 20.142 0.227 1.00 0.00 H ATOM 2456 H THR B 58 5.411 22.059 1.751 1.00 0.00 H ATOM 2457 N PRO B 59 9.050 22.498 4.034 1.00 47.97 N ATOM 2458 CA PRO B 59 9.986 23.563 4.432 1.00 51.01 C ATOM 2459 C PRO B 59 10.818 24.054 3.245 1.00 50.37 C ATOM 2460 O PRO B 59 11.198 23.243 2.398 1.00 48.46 O ATOM 2461 CB PRO B 59 10.897 22.867 5.449 1.00 51.53 C ATOM 2462 CG PRO B 59 10.082 21.725 5.973 1.00 50.55 C ATOM 2463 CD PRO B 59 9.243 21.264 4.814 1.00 47.02 C ATOM 2464 HA PRO B 59 9.471 24.440 4.824 1.00 0.00 H ATOM 2465 HD3 PRO B 59 9.765 20.507 4.228 1.00 0.00 H ATOM 2466 HD2 PRO B 59 8.289 20.863 5.156 1.00 0.00 H ATOM 2467 HG3 PRO B 59 9.447 22.055 6.795 1.00 0.00 H ATOM 2468 HG2 PRO B 59 10.731 20.920 6.318 1.00 0.00 H ATOM 2469 HB2 PRO B 59 11.804 22.503 4.966 1.00 0.00 H ATOM 2470 HB3 PRO B 59 11.165 23.550 6.255 1.00 0.00 H ATOM 2471 N GLY B 60 11.082 25.358 3.174 1.00 47.20 N ATOM 2472 CA GLY B 60 11.864 25.917 2.079 1.00 47.72 C ATOM 2473 C GLY B 60 13.300 25.407 2.074 1.00 47.10 C ATOM 2474 O GLY B 60 13.976 25.400 1.032 1.00 44.02 O ATOM 2475 HA3 GLY B 60 11.878 27.003 2.176 1.00 0.00 H ATOM 2476 HA2 GLY B 60 11.392 25.644 1.135 1.00 0.00 H ATOM 2477 H GLY B 60 10.722 25.991 3.917 1.00 0.00 H ATOM 2478 N ARG B 61 13.748 24.984 3.255 1.00 49.22 N ATOM 2479 CA ARG B 61 15.025 24.302 3.466 1.00 51.93 C ATOM 2480 C ARG B 61 15.201 22.986 2.691 1.00 50.91 C ATOM 2481 O ARG B 61 16.326 22.523 2.513 1.00 51.55 O ATOM 2482 CB ARG B 61 15.160 23.982 4.957 1.00 54.53 C ATOM 2483 CG ARG B 61 15.831 25.060 5.759 1.00 56.42 C ATOM 2484 CD ARG B 61 15.084 25.461 7.040 1.00 62.87 C ATOM 2485 NE ARG B 61 14.163 24.488 7.651 1.00 58.46 N ATOM 2486 CZ ARG B 61 14.504 23.305 8.157 1.00 56.73 C ATOM 2487 NH1 ARG B 61 15.753 22.871 8.071 1.00 57.09 N ATOM 2488 NH2 ARG B 61 13.578 22.540 8.729 1.00 55.23 N ATOM 2489 HA ARG B 61 15.789 24.985 3.095 1.00 0.00 H ATOM 2490 HB2 ARG B 61 14.162 23.823 5.365 1.00 0.00 H ATOM 2491 HB3 ARG B 61 15.743 23.066 5.059 1.00 0.00 H ATOM 2492 HG2 ARG B 61 16.824 24.708 6.040 1.00 0.00 H ATOM 2493 HG3 ARG B 61 15.925 25.944 5.129 1.00 0.00 H ATOM 2494 HD2 ARG B 61 14.502 26.353 6.807 1.00 0.00 H ATOM 2495 HD3 ARG B 61 15.837 25.705 7.789 1.00 0.00 H ATOM 2496 HE ARG B 61 13.157 24.748 7.691 1.00 0.00 H ATOM 2497 HH12 ARG B 61 16.010 21.945 8.469 1.00 0.00 H ATOM 2498 HH11 ARG B 61 16.476 23.456 7.605 1.00 0.00 H ATOM 2499 HH22 ARG B 61 13.840 21.615 9.126 1.00 0.00 H ATOM 2500 HH21 ARG B 61 12.592 22.867 8.780 1.00 0.00 H ATOM 2501 H ARG B 61 13.147 25.151 4.087 1.00 0.00 H ATOM 2502 N PHE B 62 14.095 22.377 2.265 1.00 45.14 N ATOM 2503 CA PHE B 62 14.104 21.035 1.665 1.00 45.35 C ATOM 2504 C PHE B 62 13.945 21.129 0.153 1.00 44.49 C ATOM 2505 O PHE B 62 13.026 21.789 -0.329 1.00 43.33 O ATOM 2506 CB PHE B 62 12.928 20.185 2.193 1.00 41.53 C ATOM 2507 CG PHE B 62 13.077 19.716 3.623 1.00 42.45 C ATOM 2508 CD1 PHE B 62 12.765 18.415 3.968 1.00 42.61 C ATOM 2509 CD2 PHE B 62 13.511 20.567 4.623 1.00 45.55 C ATOM 2510 CE1 PHE B 62 12.884 17.974 5.287 1.00 44.40 C ATOM 2511 CE2 PHE B 62 13.632 20.123 5.936 1.00 44.98 C ATOM 2512 CZ PHE B 62 13.310 18.832 6.264 1.00 41.59 C ATOM 2513 HA PHE B 62 15.055 20.573 1.929 1.00 0.00 H ATOM 2514 HB2 PHE B 62 12.019 20.783 2.125 1.00 0.00 H ATOM 2515 HB3 PHE B 62 12.831 19.306 1.556 1.00 0.00 H ATOM 2516 HD2 PHE B 62 13.762 21.599 4.379 1.00 0.00 H ATOM 2517 HE2 PHE B 62 13.985 20.806 6.708 1.00 0.00 H ATOM 2518 HZ PHE B 62 13.393 18.491 7.296 1.00 0.00 H ATOM 2519 HE1 PHE B 62 12.637 16.943 5.539 1.00 0.00 H ATOM 2520 HD1 PHE B 62 12.421 17.723 3.199 1.00 0.00 H ATOM 2521 H PHE B 62 13.186 22.873 2.361 1.00 0.00 H ATOM 2522 N SER B 63 14.812 20.458 -0.599 1.00 44.09 N ATOM 2523 CA SER B 63 14.560 20.294 -2.026 1.00 46.88 C ATOM 2524 C SER B 63 14.907 18.900 -2.557 1.00 45.92 C ATOM 2525 O SER B 63 15.827 18.237 -2.067 1.00 43.82 O ATOM 2526 CB SER B 63 15.259 21.381 -2.852 1.00 44.73 C ATOM 2527 OG SER B 63 16.633 21.444 -2.551 1.00 52.39 O ATOM 2528 HA SER B 63 13.482 20.406 -2.144 1.00 0.00 H ATOM 2529 HB2 SER B 63 14.802 22.345 -2.631 1.00 0.00 H ATOM 2530 HB3 SER B 63 15.137 21.157 -3.912 1.00 0.00 H ATOM 2531 HG SER B 63 16.750 21.652 -1.590 1.00 0.00 H ATOM 2532 H SER B 63 15.668 20.051 -0.171 1.00 0.00 H ATOM 2533 N GLY B 64 14.151 18.471 -3.564 1.00 38.17 N ATOM 2534 CA GLY B 64 14.420 17.225 -4.248 1.00 36.94 C ATOM 2535 C GLY B 64 15.171 17.487 -5.533 1.00 39.28 C ATOM 2536 O GLY B 64 15.107 18.582 -6.085 1.00 40.72 O ATOM 2537 HA3 GLY B 64 13.477 16.728 -4.477 1.00 0.00 H ATOM 2538 HA2 GLY B 64 15.021 16.583 -3.604 1.00 0.00 H ATOM 2539 H GLY B 64 13.342 19.049 -3.869 1.00 0.00 H ATOM 2540 N SER B 65 15.889 16.479 -6.012 1.00 39.66 N ATOM 2541 CA SER B 65 16.574 16.573 -7.283 1.00 41.11 C ATOM 2542 C SER B 65 17.094 15.197 -7.671 1.00 41.77 C ATOM 2543 O SER B 65 16.945 14.223 -6.922 1.00 40.23 O ATOM 2544 CB SER B 65 17.757 17.535 -7.177 1.00 42.28 C ATOM 2545 OG SER B 65 18.748 17.003 -6.306 1.00 42.41 O ATOM 2546 HA SER B 65 15.877 16.942 -8.035 1.00 0.00 H ATOM 2547 HB2 SER B 65 17.410 18.491 -6.786 1.00 0.00 H ATOM 2548 HB3 SER B 65 18.190 17.684 -8.166 1.00 0.00 H ATOM 2549 HG SER B 65 18.357 16.869 -5.406 1.00 0.00 H ATOM 2550 H SER B 65 15.961 15.600 -5.460 1.00 0.00 H ATOM 2551 N LEU B 66 17.697 15.126 -8.852 1.00 41.09 N ATOM 2552 CA LEU B 66 18.511 13.975 -9.219 1.00 44.26 C ATOM 2553 C LEU B 66 19.958 14.337 -9.020 1.00 41.72 C ATOM 2554 O LEU B 66 20.409 15.382 -9.468 1.00 44.13 O ATOM 2555 CB LEU B 66 18.294 13.579 -10.676 1.00 40.57 C ATOM 2556 CG LEU B 66 16.874 13.116 -10.987 1.00 41.89 C ATOM 2557 CD1 LEU B 66 16.790 12.716 -12.452 1.00 37.84 C ATOM 2558 CD2 LEU B 66 16.467 11.967 -10.048 1.00 37.05 C ATOM 2559 HA LEU B 66 18.225 13.130 -8.593 1.00 0.00 H ATOM 2560 HB2 LEU B 66 18.519 14.442 -11.303 1.00 0.00 H ATOM 2561 HB3 LEU B 66 18.980 12.767 -10.917 1.00 0.00 H ATOM 2562 HG LEU B 66 16.170 13.930 -10.815 1.00 0.00 H ATOM 2563 HD21 LEU B 66 17.152 11.130 -10.183 1.00 0.00 H ATOM 2564 HD22 LEU B 66 16.511 12.311 -9.015 1.00 0.00 H ATOM 2565 HD23 LEU B 66 15.451 11.649 -10.284 1.00 0.00 H ATOM 2566 HD11 LEU B 66 17.042 13.573 -13.076 1.00 0.00 H ATOM 2567 HD12 LEU B 66 17.492 11.905 -12.647 1.00 0.00 H ATOM 2568 HD13 LEU B 66 15.777 12.384 -12.679 1.00 0.00 H ATOM 2569 H LEU B 66 17.586 15.908 -9.529 1.00 0.00 H ATOM 2570 N LEU B 67 20.681 13.481 -8.325 1.00 45.28 N ATOM 2571 CA LEU B 67 22.110 13.665 -8.155 1.00 47.11 C ATOM 2572 C LEU B 67 22.768 12.376 -8.632 1.00 48.11 C ATOM 2573 O LEU B 67 22.558 11.315 -8.052 1.00 46.91 O ATOM 2574 CB LEU B 67 22.436 13.946 -6.687 1.00 46.53 C ATOM 2575 CG LEU B 67 23.926 14.101 -6.394 1.00 54.80 C ATOM 2576 CD1 LEU B 67 24.441 15.413 -6.958 1.00 52.31 C ATOM 2577 CD2 LEU B 67 24.213 14.002 -4.902 1.00 52.41 C ATOM 2578 HA LEU B 67 22.477 14.517 -8.727 1.00 0.00 H ATOM 2579 HB2 LEU B 67 21.933 14.868 -6.395 1.00 0.00 H ATOM 2580 HB3 LEU B 67 22.054 13.120 -6.088 1.00 0.00 H ATOM 2581 HG LEU B 67 24.453 13.282 -6.883 1.00 0.00 H ATOM 2582 HD21 LEU B 67 23.673 14.790 -4.376 1.00 0.00 H ATOM 2583 HD22 LEU B 67 23.887 13.029 -4.534 1.00 0.00 H ATOM 2584 HD23 LEU B 67 25.283 14.117 -4.731 1.00 0.00 H ATOM 2585 HD11 LEU B 67 24.287 15.429 -8.037 1.00 0.00 H ATOM 2586 HD12 LEU B 67 23.900 16.241 -6.500 1.00 0.00 H ATOM 2587 HD13 LEU B 67 25.505 15.508 -6.740 1.00 0.00 H ATOM 2588 H LEU B 67 20.218 12.658 -7.890 1.00 0.00 H ATOM 2589 N GLY B 68 23.540 12.455 -9.707 1.00 52.16 N ATOM 2590 CA GLY B 68 24.109 11.258 -10.299 1.00 52.63 C ATOM 2591 C GLY B 68 23.024 10.294 -10.762 1.00 54.03 C ATOM 2592 O GLY B 68 22.043 10.688 -11.409 1.00 50.36 O ATOM 2593 HA3 GLY B 68 24.734 10.759 -9.558 1.00 0.00 H ATOM 2594 HA2 GLY B 68 24.720 11.542 -11.156 1.00 0.00 H ATOM 2595 H GLY B 68 23.740 13.384 -10.130 1.00 0.00 H ATOM 2596 N ALA B 69 23.191 9.022 -10.412 1.00 44.87 N ATOM 2597 CA ALA B 69 22.213 8.002 -10.780 1.00 46.75 C ATOM 2598 C ALA B 69 21.153 7.807 -9.691 1.00 42.14 C ATOM 2599 O ALA B 69 20.535 6.744 -9.607 1.00 41.93 O ATOM 2600 CB ALA B 69 22.928 6.676 -11.068 1.00 45.93 C ATOM 2601 HA ALA B 69 21.698 8.342 -11.679 1.00 0.00 H ATOM 2602 HB1 ALA B 69 23.631 6.815 -11.889 1.00 0.00 H ATOM 2603 HB2 ALA B 69 23.467 6.354 -10.177 1.00 0.00 H ATOM 2604 HB3 ALA B 69 22.192 5.920 -11.342 1.00 0.00 H ATOM 2605 H ALA B 69 24.033 8.749 -9.866 1.00 0.00 H ATOM 2606 N LYS B 70 20.952 8.823 -8.853 1.00 37.39 N ATOM 2607 CA LYS B 70 20.072 8.682 -7.692 1.00 36.71 C ATOM 2608 C LYS B 70 19.163 9.877 -7.501 1.00 36.01 C ATOM 2609 O LYS B 70 19.476 10.988 -7.934 1.00 36.26 O ATOM 2610 CB LYS B 70 20.875 8.501 -6.402 1.00 35.59 C ATOM 2611 CG LYS B 70 21.633 7.207 -6.305 1.00 40.09 C ATOM 2612 CD LYS B 70 22.290 7.073 -4.947 1.00 42.27 C ATOM 2613 CE LYS B 70 23.051 5.765 -4.837 1.00 44.66 C ATOM 2614 NZ LYS B 70 24.040 5.807 -3.703 1.00 51.00 N ATOM 2615 HA LYS B 70 19.467 7.798 -7.895 1.00 0.00 H ATOM 2616 HB2 LYS B 70 21.591 9.320 -6.331 1.00 0.00 H ATOM 2617 HB3 LYS B 70 20.183 8.552 -5.562 1.00 0.00 H ATOM 2618 HG2 LYS B 70 20.943 6.376 -6.453 1.00 0.00 H ATOM 2619 HG3 LYS B 70 22.401 7.183 -7.078 1.00 0.00 H ATOM 2620 HD2 LYS B 70 22.983 7.902 -4.803 1.00 0.00 H ATOM 2621 HD3 LYS B 70 21.522 7.105 -4.174 1.00 0.00 H ATOM 2622 HE2 LYS B 70 23.586 5.584 -5.770 1.00 0.00 H ATOM 2623 HE3 LYS B 70 22.343 4.955 -4.663 1.00 0.00 H ATOM 2624 HZ1 LYS B 70 24.721 6.576 -3.867 1.00 0.00 H ATOM 2625 HZ2 LYS B 70 23.534 5.974 -2.810 1.00 0.00 H ATOM 2626 HZ3 LYS B 70 24.546 4.900 -3.652 1.00 0.00 H ATOM 2627 H LYS B 70 21.428 9.731 -9.027 1.00 0.00 H ATOM 2628 N ALA B 71 18.036 9.630 -6.838 1.00 34.85 N ATOM 2629 CA ALA B 71 17.171 10.700 -6.362 1.00 34.13 C ATOM 2630 C ALA B 71 17.770 11.265 -5.064 1.00 32.85 C ATOM 2631 O ALA B 71 18.361 10.529 -4.264 1.00 33.60 O ATOM 2632 CB ALA B 71 15.752 10.170 -6.133 1.00 34.10 C ATOM 2633 HA ALA B 71 17.107 11.495 -7.105 1.00 0.00 H ATOM 2634 HB1 ALA B 71 15.356 9.780 -7.070 1.00 0.00 H ATOM 2635 HB2 ALA B 71 15.779 9.374 -5.389 1.00 0.00 H ATOM 2636 HB3 ALA B 71 15.116 10.980 -5.777 1.00 0.00 H ATOM 2637 H ALA B 71 17.765 8.643 -6.654 1.00 0.00 H ATOM 2638 N ALA B 72 17.629 12.567 -4.859 1.00 32.53 N ATOM 2639 CA ALA B 72 18.294 13.215 -3.733 1.00 35.76 C ATOM 2640 C ALA B 72 17.376 14.178 -3.017 1.00 35.15 C ATOM 2641 O ALA B 72 16.636 14.921 -3.647 1.00 34.63 O ATOM 2642 CB ALA B 72 19.540 13.945 -4.192 1.00 34.10 C ATOM 2643 HA ALA B 72 18.575 12.428 -3.033 1.00 0.00 H ATOM 2644 HB1 ALA B 72 20.230 13.234 -4.646 1.00 0.00 H ATOM 2645 HB2 ALA B 72 19.266 14.705 -4.924 1.00 0.00 H ATOM 2646 HB3 ALA B 72 20.018 14.420 -3.335 1.00 0.00 H ATOM 2647 H ALA B 72 17.040 13.131 -5.505 1.00 0.00 H ATOM 2648 N LEU B 73 17.438 14.157 -1.692 1.00 37.22 N ATOM 2649 CA LEU B 73 16.720 15.114 -0.875 1.00 38.13 C ATOM 2650 C LEU B 73 17.761 15.959 -0.155 1.00 40.98 C ATOM 2651 O LEU B 73 18.553 15.449 0.643 1.00 40.87 O ATOM 2652 CB LEU B 73 15.793 14.410 0.128 1.00 35.78 C ATOM 2653 CG LEU B 73 15.170 15.309 1.209 1.00 36.36 C ATOM 2654 CD1 LEU B 73 14.325 16.404 0.581 1.00 36.92 C ATOM 2655 CD2 LEU B 73 14.357 14.508 2.230 1.00 34.76 C ATOM 2656 HA LEU B 73 16.081 15.739 -1.498 1.00 0.00 H ATOM 2657 HB2 LEU B 73 14.980 13.950 -0.434 1.00 0.00 H ATOM 2658 HB3 LEU B 73 16.371 13.634 0.630 1.00 0.00 H ATOM 2659 HG LEU B 73 15.993 15.775 1.751 1.00 0.00 H ATOM 2660 HD21 LEU B 73 13.550 13.983 1.719 1.00 0.00 H ATOM 2661 HD22 LEU B 73 15.007 13.785 2.723 1.00 0.00 H ATOM 2662 HD23 LEU B 73 13.938 15.187 2.972 1.00 0.00 H ATOM 2663 HD11 LEU B 73 14.951 17.017 -0.068 1.00 0.00 H ATOM 2664 HD12 LEU B 73 13.524 15.952 -0.005 1.00 0.00 H ATOM 2665 HD13 LEU B 73 13.896 17.026 1.367 1.00 0.00 H ATOM 2666 H LEU B 73 18.020 13.432 -1.226 1.00 0.00 H ATOM 2667 N THR B 74 17.773 17.252 -0.455 1.00 39.02 N ATOM 2668 CA THR B 74 18.738 18.137 0.172 1.00 41.63 C ATOM 2669 C THR B 74 18.071 18.943 1.263 1.00 39.70 C ATOM 2670 O THR B 74 17.088 19.640 1.016 1.00 41.07 O ATOM 2671 CB THR B 74 19.416 19.065 -0.848 1.00 42.21 C ATOM 2672 OG1 THR B 74 20.057 18.261 -1.846 1.00 39.22 O ATOM 2673 CG2 THR B 74 20.460 19.950 -0.165 1.00 38.54 C ATOM 2674 HA THR B 74 19.519 17.517 0.611 1.00 0.00 H ATOM 2675 HB THR B 74 18.661 19.708 -1.301 1.00 0.00 H ATOM 2676 HG1 THR B 74 19.380 17.699 -2.300 1.00 0.00 H ATOM 2677 HG23 THR B 74 19.974 20.562 0.595 1.00 0.00 H ATOM 2678 HG21 THR B 74 21.217 19.321 0.303 1.00 0.00 H ATOM 2679 HG22 THR B 74 20.930 20.595 -0.908 1.00 0.00 H ATOM 2680 H THR B 74 17.090 17.632 -1.141 1.00 0.00 H ATOM 2681 N ILE B 75 18.596 18.807 2.476 1.00 46.51 N ATOM 2682 CA ILE B 75 18.127 19.579 3.612 1.00 48.47 C ATOM 2683 C ILE B 75 19.154 20.636 3.940 1.00 51.29 C ATOM 2684 O ILE B 75 20.229 20.315 4.444 1.00 51.83 O ATOM 2685 CB ILE B 75 17.931 18.691 4.846 1.00 46.90 C ATOM 2686 CG1 ILE B 75 16.997 17.537 4.501 1.00 43.97 C ATOM 2687 CG2 ILE B 75 17.405 19.508 6.020 1.00 48.53 C ATOM 2688 CD1 ILE B 75 16.683 16.626 5.674 1.00 45.72 C ATOM 2689 HA ILE B 75 17.169 20.029 3.350 1.00 0.00 H ATOM 2690 HB ILE B 75 18.892 18.276 5.148 1.00 0.00 H ATOM 2691 HG12 ILE B 75 16.061 17.953 4.129 1.00 0.00 H ATOM 2692 HG13 ILE B 75 17.464 16.940 3.718 1.00 0.00 H ATOM 2693 HD11 ILE B 75 17.608 16.191 6.052 1.00 0.00 H ATOM 2694 HD12 ILE B 75 16.203 17.205 6.463 1.00 0.00 H ATOM 2695 HD13 ILE B 75 16.013 15.831 5.346 1.00 0.00 H ATOM 2696 HG21 ILE B 75 18.119 20.295 6.262 1.00 0.00 H ATOM 2697 HG22 ILE B 75 16.448 19.954 5.751 1.00 0.00 H ATOM 2698 HG23 ILE B 75 17.274 18.857 6.884 1.00 0.00 H ATOM 2699 H ILE B 75 19.368 18.125 2.616 1.00 0.00 H ATOM 2700 N SER B 76 18.830 21.890 3.639 1.00 55.81 N ATOM 2701 CA SER B 76 19.720 23.012 3.936 1.00 59.01 C ATOM 2702 C SER B 76 19.477 23.511 5.349 1.00 60.61 C ATOM 2703 O SER B 76 18.371 23.367 5.866 1.00 59.29 O ATOM 2704 CB SER B 76 19.483 24.165 2.954 1.00 57.26 C ATOM 2705 OG SER B 76 19.737 23.768 1.618 1.00 58.56 O ATOM 2706 HA SER B 76 20.748 22.663 3.839 1.00 0.00 H ATOM 2707 HB2 SER B 76 20.146 24.991 3.211 1.00 0.00 H ATOM 2708 HB3 SER B 76 18.447 24.493 3.036 1.00 0.00 H ATOM 2709 HG SER B 76 19.134 23.021 1.377 1.00 0.00 H ATOM 2710 H SER B 76 17.917 22.079 3.179 1.00 0.00 H ATOM 2711 N ASP B 77 20.513 24.081 5.966 1.00 64.45 N ATOM 2712 CA ASP B 77 20.370 24.779 7.242 1.00 64.80 C ATOM 2713 C ASP B 77 19.650 23.903 8.253 1.00 64.55 C ATOM 2714 O ASP B 77 18.585 24.275 8.750 1.00 65.16 O ATOM 2715 CB ASP B 77 19.561 26.064 7.031 1.00 66.98 C ATOM 2716 CG ASP B 77 19.727 27.062 8.168 1.00 74.20 C ATOM 2717 OD1 ASP B 77 20.887 27.381 8.518 1.00 74.08 O ATOM 2718 OD2 ASP B 77 18.698 27.527 8.709 1.00 75.67 O ATOM 2719 HA ASP B 77 21.364 25.017 7.622 1.00 0.00 H ATOM 2720 HB2 ASP B 77 19.890 26.534 6.104 1.00 0.00 H ATOM 2721 HB3 ASP B 77 18.506 25.802 6.949 1.00 0.00 H ATOM 2722 H ASP B 77 21.453 24.027 5.525 1.00 0.00 H ATOM 2723 N ALA B 78 20.213 22.733 8.536 1.00 55.66 N ATOM 2724 CA ALA B 78 19.474 21.715 9.279 1.00 57.56 C ATOM 2725 C ALA B 78 19.069 22.180 10.669 1.00 60.09 C ATOM 2726 O ALA B 78 19.851 22.798 11.387 1.00 63.71 O ATOM 2727 CB ALA B 78 20.256 20.401 9.351 1.00 55.38 C ATOM 2728 HA ALA B 78 18.553 21.538 8.724 1.00 0.00 H ATOM 2729 HB1 ALA B 78 20.437 20.031 8.342 1.00 0.00 H ATOM 2730 HB2 ALA B 78 21.209 20.574 9.852 1.00 0.00 H ATOM 2731 HB3 ALA B 78 19.678 19.666 9.910 1.00 0.00 H ATOM 2732 H ALA B 78 21.187 22.541 8.226 1.00 0.00 H ATOM 2733 N GLN B 79 17.825 21.884 11.023 1.00 62.02 N ATOM 2734 CA GLN B 79 17.268 22.233 12.315 1.00 60.15 C ATOM 2735 C GLN B 79 17.050 20.954 13.109 1.00 59.75 C ATOM 2736 O GLN B 79 16.945 19.876 12.530 1.00 59.34 O ATOM 2737 CB GLN B 79 15.939 22.961 12.111 1.00 59.82 C ATOM 2738 CG GLN B 79 16.057 24.215 11.261 1.00 61.58 C ATOM 2739 CD GLN B 79 16.843 25.321 11.960 1.00 67.69 C ATOM 2740 OE1 GLN B 79 16.699 25.528 13.167 1.00 66.03 O ATOM 2741 NE2 GLN B 79 17.682 26.030 11.202 1.00 64.58 N ATOM 2742 HA GLN B 79 17.948 22.888 12.859 1.00 0.00 H ATOM 2743 HB2 GLN B 79 15.243 22.278 11.624 1.00 0.00 H ATOM 2744 HB3 GLN B 79 15.546 23.242 13.088 1.00 0.00 H ATOM 2745 HG2 GLN B 79 16.563 23.961 10.330 1.00 0.00 H ATOM 2746 HG3 GLN B 79 15.055 24.584 11.040 1.00 0.00 H ATOM 2747 HE22 GLN B 79 17.770 25.819 10.187 1.00 0.00 H ATOM 2748 HE21 GLN B 79 18.247 26.793 11.626 1.00 0.00 H ATOM 2749 H GLN B 79 17.222 21.379 10.343 1.00 0.00 H ATOM 2750 N PRO B 80 17.002 21.064 14.444 1.00 74.06 N ATOM 2751 CA PRO B 80 16.699 19.919 15.308 1.00 70.92 C ATOM 2752 C PRO B 80 15.424 19.181 14.907 1.00 67.33 C ATOM 2753 O PRO B 80 15.383 17.957 14.989 1.00 66.20 O ATOM 2754 CB PRO B 80 16.522 20.570 16.680 1.00 72.28 C ATOM 2755 CG PRO B 80 17.467 21.723 16.647 1.00 72.96 C ATOM 2756 CD PRO B 80 17.434 22.239 15.224 1.00 76.02 C ATOM 2757 HA PRO B 80 17.480 19.160 15.260 1.00 0.00 H ATOM 2758 HD3 PRO B 80 16.722 23.058 15.122 1.00 0.00 H ATOM 2759 HD2 PRO B 80 18.421 22.576 14.908 1.00 0.00 H ATOM 2760 HG3 PRO B 80 18.473 21.398 16.910 1.00 0.00 H ATOM 2761 HG2 PRO B 80 17.144 22.499 17.341 1.00 0.00 H ATOM 2762 HB2 PRO B 80 15.496 20.911 16.820 1.00 0.00 H ATOM 2763 HB3 PRO B 80 16.784 19.875 17.478 1.00 0.00 H ATOM 2764 N GLU B 81 14.406 19.910 14.464 1.00 73.41 N ATOM 2765 CA GLU B 81 13.137 19.281 14.124 1.00 74.88 C ATOM 2766 C GLU B 81 13.203 18.467 12.817 1.00 70.92 C ATOM 2767 O GLU B 81 12.225 17.842 12.420 1.00 67.91 O ATOM 2768 CB GLU B 81 12.002 20.317 14.078 1.00 77.28 C ATOM 2769 CG GLU B 81 11.886 21.085 12.760 1.00 75.61 C ATOM 2770 CD GLU B 81 12.304 22.549 12.876 1.00 84.10 C ATOM 2771 OE1 GLU B 81 12.940 22.919 13.901 1.00 84.32 O ATOM 2772 OE2 GLU B 81 11.990 23.326 11.937 1.00 83.36 O ATOM 2773 HA GLU B 81 12.920 18.568 14.920 1.00 0.00 H ATOM 2774 HB2 GLU B 81 11.060 19.796 14.251 1.00 0.00 H ATOM 2775 HB3 GLU B 81 12.169 21.039 14.878 1.00 0.00 H ATOM 2776 HG2 GLU B 81 12.523 20.601 12.020 1.00 0.00 H ATOM 2777 HG3 GLU B 81 10.849 21.046 12.427 1.00 0.00 H ATOM 2778 H GLU B 81 14.516 20.939 14.359 1.00 0.00 H ATOM 2779 N ASP B 82 14.362 18.476 12.163 1.00 52.73 N ATOM 2780 CA ASP B 82 14.566 17.704 10.944 1.00 46.82 C ATOM 2781 C ASP B 82 15.055 16.300 11.256 1.00 47.40 C ATOM 2782 O ASP B 82 15.187 15.467 10.357 1.00 46.80 O ATOM 2783 CB ASP B 82 15.559 18.387 10.015 1.00 47.27 C ATOM 2784 CG ASP B 82 15.116 19.767 9.607 1.00 51.24 C ATOM 2785 OD1 ASP B 82 13.900 20.054 9.697 1.00 53.92 O ATOM 2786 OD2 ASP B 82 15.990 20.565 9.190 1.00 53.78 O ATOM 2787 HA ASP B 82 13.599 17.641 10.444 1.00 0.00 H ATOM 2788 HB2 ASP B 82 16.519 18.465 10.526 1.00 0.00 H ATOM 2789 HB3 ASP B 82 15.675 17.778 9.118 1.00 0.00 H ATOM 2790 H ASP B 82 15.146 19.051 12.533 1.00 0.00 H ATOM 2791 N GLU B 83 15.329 16.038 12.527 1.00 47.63 N ATOM 2792 CA GLU B 83 15.705 14.698 12.953 1.00 46.65 C ATOM 2793 C GLU B 83 14.510 13.772 12.820 1.00 43.78 C ATOM 2794 O GLU B 83 13.547 13.883 13.576 1.00 45.19 O ATOM 2795 CB GLU B 83 16.195 14.705 14.395 1.00 47.50 C ATOM 2796 CG GLU B 83 16.616 13.344 14.921 1.00 47.62 C ATOM 2797 CD GLU B 83 17.708 13.439 16.002 1.00 57.23 C ATOM 2798 OE1 GLU B 83 18.638 14.290 15.875 1.00 55.66 O ATOM 2799 OE2 GLU B 83 17.632 12.658 16.980 1.00 54.60 O ATOM 2800 HA GLU B 83 16.517 14.345 12.318 1.00 0.00 H ATOM 2801 HB2 GLU B 83 17.051 15.376 14.461 1.00 0.00 H ATOM 2802 HB3 GLU B 83 15.390 15.081 15.027 1.00 0.00 H ATOM 2803 HG2 GLU B 83 15.744 12.849 15.348 1.00 0.00 H ATOM 2804 HG3 GLU B 83 16.998 12.751 14.090 1.00 0.00 H ATOM 2805 H GLU B 83 15.274 16.802 13.230 1.00 0.00 H ATOM 2806 N ALA B 84 14.592 12.851 11.866 1.00 39.07 N ATOM 2807 CA ALA B 84 13.480 11.975 11.531 1.00 37.97 C ATOM 2808 C ALA B 84 13.985 10.873 10.607 1.00 36.35 C ATOM 2809 O ALA B 84 15.144 10.895 10.200 1.00 37.87 O ATOM 2810 CB ALA B 84 12.345 12.788 10.845 1.00 34.44 C ATOM 2811 HA ALA B 84 13.073 11.529 12.438 1.00 0.00 H ATOM 2812 HB1 ALA B 84 11.996 13.566 11.524 1.00 0.00 H ATOM 2813 HB2 ALA B 84 12.728 13.245 9.933 1.00 0.00 H ATOM 2814 HB3 ALA B 84 11.519 12.120 10.600 1.00 0.00 H ATOM 2815 H ALA B 84 15.484 12.753 11.340 1.00 0.00 H ATOM 2816 N GLU B 85 13.129 9.904 10.301 1.00 52.84 N ATOM 2817 CA GLU B 85 13.410 8.926 9.258 1.00 51.62 C ATOM 2818 C GLU B 85 12.910 9.542 7.950 1.00 50.76 C ATOM 2819 O GLU B 85 11.847 10.165 7.917 1.00 51.43 O ATOM 2820 CB GLU B 85 12.716 7.578 9.540 1.00 49.96 C ATOM 2821 CG GLU B 85 13.176 6.839 10.828 1.00 53.33 C ATOM 2822 CD GLU B 85 12.655 7.477 12.143 1.00 64.33 C ATOM 2823 OE1 GLU B 85 11.430 7.385 12.419 1.00 61.41 O ATOM 2824 OE2 GLU B 85 13.470 8.067 12.905 1.00 64.58 O ATOM 2825 HA GLU B 85 14.477 8.706 9.210 1.00 0.00 H ATOM 2826 HB2 GLU B 85 11.645 7.764 9.624 1.00 0.00 H ATOM 2827 HB3 GLU B 85 12.904 6.920 8.691 1.00 0.00 H ATOM 2828 HG2 GLU B 85 12.817 5.811 10.780 1.00 0.00 H ATOM 2829 HG3 GLU B 85 14.266 6.841 10.854 1.00 0.00 H ATOM 2830 H GLU B 85 12.231 9.842 10.822 1.00 0.00 H ATOM 2831 N TYR B 86 13.690 9.421 6.881 1.00 33.34 N ATOM 2832 CA TYR B 86 13.228 9.892 5.576 1.00 30.88 C ATOM 2833 C TYR B 86 13.093 8.722 4.631 1.00 28.63 C ATOM 2834 O TYR B 86 14.022 7.928 4.468 1.00 28.60 O ATOM 2835 CB TYR B 86 14.135 10.989 5.017 1.00 30.28 C ATOM 2836 CG TYR B 86 14.055 12.254 5.832 1.00 31.06 C ATOM 2837 CD1 TYR B 86 13.188 13.282 5.471 1.00 32.04 C ATOM 2838 CD2 TYR B 86 14.809 12.403 6.993 1.00 33.49 C ATOM 2839 CE1 TYR B 86 13.083 14.440 6.239 1.00 34.27 C ATOM 2840 CE2 TYR B 86 14.718 13.561 7.773 1.00 34.75 C ATOM 2841 CZ TYR B 86 13.859 14.573 7.384 1.00 36.89 C ATOM 2842 OH TYR B 86 13.768 15.717 8.143 1.00 37.81 O ATOM 2843 HA TYR B 86 12.245 10.347 5.695 1.00 0.00 H ATOM 2844 HB3 TYR B 86 13.832 11.209 3.993 1.00 0.00 H ATOM 2845 HB2 TYR B 86 15.165 10.631 5.021 1.00 0.00 H ATOM 2846 HD2 TYR B 86 15.483 11.603 7.300 1.00 0.00 H ATOM 2847 HE2 TYR B 86 15.318 13.665 8.677 1.00 0.00 H ATOM 2848 HE1 TYR B 86 12.398 15.235 5.944 1.00 0.00 H ATOM 2849 HD1 TYR B 86 12.581 13.179 4.572 1.00 0.00 H ATOM 2850 HH TYR B 86 13.469 15.482 9.057 1.00 0.00 H ATOM 2851 H TYR B 86 14.632 8.990 6.973 1.00 0.00 H ATOM 2852 N TYR B 87 11.913 8.608 4.030 1.00 36.52 N ATOM 2853 CA TYR B 87 11.591 7.490 3.155 1.00 34.36 C ATOM 2854 C TYR B 87 11.474 7.938 1.727 1.00 35.93 C ATOM 2855 O TYR B 87 10.838 8.953 1.414 1.00 35.19 O ATOM 2856 CB TYR B 87 10.280 6.813 3.588 1.00 34.34 C ATOM 2857 CG TYR B 87 10.487 5.865 4.717 1.00 36.41 C ATOM 2858 CD1 TYR B 87 10.795 4.531 4.474 1.00 38.20 C ATOM 2859 CD2 TYR B 87 10.423 6.299 6.032 1.00 36.15 C ATOM 2860 CE1 TYR B 87 11.003 3.628 5.524 1.00 38.50 C ATOM 2861 CE2 TYR B 87 10.630 5.415 7.090 1.00 35.67 C ATOM 2862 CZ TYR B 87 10.924 4.081 6.825 1.00 38.70 C ATOM 2863 OH TYR B 87 11.148 3.197 7.869 1.00 43.10 O ATOM 2864 HA TYR B 87 12.406 6.771 3.234 1.00 0.00 H ATOM 2865 HB3 TYR B 87 9.870 6.266 2.739 1.00 0.00 H ATOM 2866 HB2 TYR B 87 9.573 7.582 3.899 1.00 0.00 H ATOM 2867 HD2 TYR B 87 10.208 7.347 6.242 1.00 0.00 H ATOM 2868 HE2 TYR B 87 10.562 5.767 8.119 1.00 0.00 H ATOM 2869 HE1 TYR B 87 11.224 2.581 5.316 1.00 0.00 H ATOM 2870 HD1 TYR B 87 10.876 4.181 3.445 1.00 0.00 H ATOM 2871 HH TYR B 87 11.342 2.298 7.503 1.00 0.00 H ATOM 2872 H TYR B 87 11.195 9.343 4.190 1.00 0.00 H ATOM 2873 N CYS B 88 12.063 7.141 0.853 1.00 41.65 N ATOM 2874 CA CYS B 88 12.020 7.390 -0.569 1.00 39.05 C ATOM 2875 C CYS B 88 11.116 6.357 -1.229 1.00 39.73 C ATOM 2876 O CYS B 88 11.159 5.169 -0.883 1.00 39.54 O ATOM 2877 CB CYS B 88 13.431 7.257 -1.137 1.00 38.42 C ATOM 2878 SG CYS B 88 13.470 7.451 -2.909 1.00 50.91 S ATOM 2879 HA CYS B 88 11.635 8.392 -0.760 1.00 0.00 H ATOM 2880 HB2 CYS B 88 13.819 6.271 -0.884 1.00 0.00 H ATOM 2881 HB3 CYS B 88 14.064 8.022 -0.687 1.00 0.00 H ATOM 2882 HG CYS B 88 12.360 6.707 -3.253 1.00 0.00 H ATOM 2883 H CYS B 88 12.575 6.306 1.201 1.00 0.00 H ATOM 2884 N SER B 89 10.311 6.791 -2.193 1.00 26.36 N ATOM 2885 CA SER B 89 9.588 5.834 -3.018 1.00 26.82 C ATOM 2886 C SER B 89 9.838 6.101 -4.498 1.00 27.78 C ATOM 2887 O SER B 89 9.839 7.260 -4.943 1.00 25.52 O ATOM 2888 CB SER B 89 8.082 5.868 -2.748 1.00 26.86 C ATOM 2889 OG SER B 89 7.448 4.874 -3.552 1.00 28.25 O ATOM 2890 HA SER B 89 9.962 4.845 -2.755 1.00 0.00 H ATOM 2891 HB2 SER B 89 7.686 6.852 -3.001 1.00 0.00 H ATOM 2892 HB3 SER B 89 7.894 5.662 -1.694 1.00 0.00 H ATOM 2893 HG SER B 89 7.811 3.983 -3.320 1.00 0.00 H ATOM 2894 H SER B 89 10.198 7.812 -2.358 1.00 0.00 H ATOM 2895 N LEU B 90 10.051 5.020 -5.252 1.00 25.16 N ATOM 2896 CA LEU B 90 10.259 5.115 -6.692 1.00 25.36 C ATOM 2897 C LEU B 90 9.175 4.332 -7.392 1.00 26.98 C ATOM 2898 O LEU B 90 8.633 3.360 -6.846 1.00 28.32 O ATOM 2899 CB LEU B 90 11.612 4.548 -7.101 1.00 24.95 C ATOM 2900 CG LEU B 90 12.864 5.175 -6.501 1.00 27.44 C ATOM 2901 CD1 LEU B 90 14.088 4.491 -7.092 1.00 28.94 C ATOM 2902 CD2 LEU B 90 12.880 6.677 -6.765 1.00 25.22 C ATOM 2903 HA LEU B 90 10.229 6.168 -6.973 1.00 0.00 H ATOM 2904 HB2 LEU B 90 11.616 3.492 -6.829 1.00 0.00 H ATOM 2905 HB3 LEU B 90 11.689 4.643 -8.184 1.00 0.00 H ATOM 2906 HG LEU B 90 12.872 5.035 -5.420 1.00 0.00 H ATOM 2907 HD21 LEU B 90 12.871 6.856 -7.840 1.00 0.00 H ATOM 2908 HD22 LEU B 90 12.000 7.134 -6.312 1.00 0.00 H ATOM 2909 HD23 LEU B 90 13.780 7.111 -6.331 1.00 0.00 H ATOM 2910 HD11 LEU B 90 14.058 3.427 -6.856 1.00 0.00 H ATOM 2911 HD12 LEU B 90 14.090 4.624 -8.174 1.00 0.00 H ATOM 2912 HD13 LEU B 90 14.990 4.933 -6.668 1.00 0.00 H ATOM 2913 H LEU B 90 10.069 4.084 -4.799 1.00 0.00 H ATOM 2914 N SER B 91 8.865 4.730 -8.611 1.00 27.90 N ATOM 2915 CA SER B 91 7.764 4.104 -9.301 1.00 30.60 C ATOM 2916 C SER B 91 8.049 3.806 -10.765 1.00 30.23 C ATOM 2917 O SER B 91 8.895 4.446 -11.389 1.00 30.73 O ATOM 2918 CB SER B 91 6.560 5.010 -9.247 1.00 28.66 C ATOM 2919 OG SER B 91 5.446 4.260 -9.657 1.00 34.60 O ATOM 2920 HA SER B 91 7.592 3.155 -8.794 1.00 0.00 H ATOM 2921 HB2 SER B 91 6.703 5.859 -9.915 1.00 0.00 H ATOM 2922 HB3 SER B 91 6.411 5.371 -8.229 1.00 0.00 H ATOM 2923 HG SER B 91 5.326 3.489 -9.048 1.00 0.00 H ATOM 2924 H SER B 91 9.409 5.488 -9.070 1.00 0.00 H ATOM 2925 N ASP B 92 7.334 2.829 -11.304 1.00 30.21 N ATOM 2926 CA ASP B 92 7.257 2.681 -12.752 1.00 33.76 C ATOM 2927 C ASP B 92 5.902 2.088 -13.148 1.00 32.40 C ATOM 2928 O ASP B 92 4.976 2.030 -12.336 1.00 30.93 O ATOM 2929 CB ASP B 92 8.429 1.862 -13.308 1.00 28.73 C ATOM 2930 CG ASP B 92 8.443 0.436 -12.778 1.00 33.73 C ATOM 2931 OD1 ASP B 92 7.440 -0.024 -12.170 1.00 31.62 O ATOM 2932 OD2 ASP B 92 9.464 -0.244 -12.990 1.00 34.49 O ATOM 2933 HA ASP B 92 7.339 3.671 -13.202 1.00 0.00 H ATOM 2934 HB2 ASP B 92 8.350 1.831 -14.395 1.00 0.00 H ATOM 2935 HB3 ASP B 92 9.362 2.350 -13.026 1.00 0.00 H ATOM 2936 H ASP B 92 6.824 2.163 -10.689 1.00 0.00 H ATOM 2937 N VAL B 93 5.800 1.645 -14.395 1.00 34.06 N ATOM 2938 CA VAL B 93 4.565 1.045 -14.906 1.00 32.77 C ATOM 2939 C VAL B 93 4.131 -0.216 -14.129 1.00 31.69 C ATOM 2940 O VAL B 93 2.967 -0.603 -14.168 1.00 33.00 O ATOM 2941 CB VAL B 93 4.704 0.707 -16.414 1.00 33.22 C ATOM 2942 CG1 VAL B 93 5.685 -0.440 -16.627 1.00 30.79 C ATOM 2943 CG2 VAL B 93 3.353 0.393 -17.020 1.00 32.82 C ATOM 2944 HA VAL B 93 3.785 1.793 -14.763 1.00 0.00 H ATOM 2945 HB VAL B 93 5.104 1.583 -16.924 1.00 0.00 H ATOM 2946 HG11 VAL B 93 6.663 -0.156 -16.240 1.00 0.00 H ATOM 2947 HG12 VAL B 93 5.327 -1.325 -16.101 1.00 0.00 H ATOM 2948 HG13 VAL B 93 5.763 -0.656 -17.692 1.00 0.00 H ATOM 2949 HG21 VAL B 93 2.916 -0.463 -16.506 1.00 0.00 H ATOM 2950 HG22 VAL B 93 2.698 1.257 -16.912 1.00 0.00 H ATOM 2951 HG23 VAL B 93 3.476 0.159 -18.077 1.00 0.00 H ATOM 2952 H VAL B 93 6.621 1.726 -15.028 1.00 0.00 H ATOM 2953 N ASP B 94 5.051 -0.858 -13.419 1.00 32.92 N ATOM 2954 CA ASP B 94 4.677 -2.061 -12.687 1.00 34.31 C ATOM 2955 C ASP B 94 4.303 -1.790 -11.229 1.00 35.78 C ATOM 2956 O ASP B 94 3.915 -2.715 -10.515 1.00 34.70 O ATOM 2957 CB ASP B 94 5.756 -3.132 -12.789 1.00 35.55 C ATOM 2958 CG ASP B 94 6.134 -3.434 -14.233 1.00 36.55 C ATOM 2959 OD1 ASP B 94 5.220 -3.745 -15.035 1.00 37.06 O ATOM 2960 OD2 ASP B 94 7.343 -3.335 -14.569 1.00 39.14 O ATOM 2961 HA ASP B 94 3.774 -2.437 -13.168 1.00 0.00 H ATOM 2962 HB2 ASP B 94 6.644 -2.788 -12.258 1.00 0.00 H ATOM 2963 HB3 ASP B 94 5.388 -4.046 -12.324 1.00 0.00 H ATOM 2964 H ASP B 94 6.029 -0.506 -13.386 1.00 0.00 H ATOM 2965 N GLY B 95 4.387 -0.530 -10.795 1.00 31.22 N ATOM 2966 CA GLY B 95 3.962 -0.168 -9.447 1.00 31.81 C ATOM 2967 C GLY B 95 4.963 0.721 -8.735 1.00 31.38 C ATOM 2968 O GLY B 95 5.804 1.336 -9.375 1.00 33.61 O ATOM 2969 HA3 GLY B 95 3.831 -1.081 -8.866 1.00 0.00 H ATOM 2970 HA2 GLY B 95 3.011 0.360 -9.511 1.00 0.00 H ATOM 2971 H GLY B 95 4.761 0.205 -11.428 1.00 0.00 H ATOM 2972 N TYR B 96 4.883 0.793 -7.408 1.00 32.31 N ATOM 2973 CA TYR B 96 5.795 1.638 -6.638 1.00 28.81 C ATOM 2974 C TYR B 96 6.441 0.839 -5.522 1.00 30.48 C ATOM 2975 O TYR B 96 5.850 -0.105 -5.013 1.00 30.67 O ATOM 2976 CB TYR B 96 5.059 2.850 -6.085 1.00 30.55 C ATOM 2977 CG TYR B 96 3.818 2.499 -5.277 1.00 30.28 C ATOM 2978 CD1 TYR B 96 2.563 2.470 -5.872 1.00 27.19 C ATOM 2979 CD2 TYR B 96 3.913 2.188 -3.921 1.00 27.59 C ATOM 2980 CE1 TYR B 96 1.411 2.145 -5.122 1.00 28.79 C ATOM 2981 CE2 TYR B 96 2.796 1.860 -3.177 1.00 27.04 C ATOM 2982 CZ TYR B 96 1.545 1.842 -3.778 1.00 28.69 C ATOM 2983 OH TYR B 96 0.441 1.509 -3.018 1.00 30.89 O ATOM 2984 HA TYR B 96 6.584 1.995 -7.301 1.00 0.00 H ATOM 2985 HB3 TYR B 96 4.758 3.481 -6.921 1.00 0.00 H ATOM 2986 HB2 TYR B 96 5.743 3.404 -5.442 1.00 0.00 H ATOM 2987 HD2 TYR B 96 4.890 2.204 -3.438 1.00 0.00 H ATOM 2988 HE2 TYR B 96 2.897 1.616 -2.120 1.00 0.00 H ATOM 2989 HE1 TYR B 96 0.429 2.133 -5.595 1.00 0.00 H ATOM 2990 HD1 TYR B 96 2.466 2.701 -6.933 1.00 0.00 H ATOM 2991 HH TYR B 96 -0.370 1.541 -3.585 1.00 0.00 H ATOM 2992 H TYR B 96 4.158 0.238 -6.910 1.00 0.00 H ATOM 2993 N LEU B 97 7.668 1.195 -5.163 1.00 31.93 N ATOM 2994 CA LEU B 97 8.352 0.542 -4.059 1.00 31.19 C ATOM 2995 C LEU B 97 8.936 1.587 -3.115 1.00 31.91 C ATOM 2996 O LEU B 97 9.251 2.697 -3.533 1.00 33.45 O ATOM 2997 CB LEU B 97 9.461 -0.339 -4.609 1.00 34.98 C ATOM 2998 CG LEU B 97 8.964 -1.484 -5.486 1.00 37.79 C ATOM 2999 CD1 LEU B 97 10.100 -1.978 -6.325 1.00 39.76 C ATOM 3000 CD2 LEU B 97 8.386 -2.623 -4.619 1.00 33.92 C ATOM 3001 HA LEU B 97 7.642 -0.071 -3.504 1.00 0.00 H ATOM 3002 HB2 LEU B 97 10.131 0.283 -5.203 1.00 0.00 H ATOM 3003 HB3 LEU B 97 10.011 -0.764 -3.769 1.00 0.00 H ATOM 3004 HG LEU B 97 8.164 -1.127 -6.134 1.00 0.00 H ATOM 3005 HD21 LEU B 97 9.162 -3.000 -3.952 1.00 0.00 H ATOM 3006 HD22 LEU B 97 7.552 -2.242 -4.030 1.00 0.00 H ATOM 3007 HD23 LEU B 97 8.038 -3.429 -5.265 1.00 0.00 H ATOM 3008 HD11 LEU B 97 10.468 -1.165 -6.951 1.00 0.00 H ATOM 3009 HD12 LEU B 97 10.902 -2.330 -5.677 1.00 0.00 H ATOM 3010 HD13 LEU B 97 9.755 -2.797 -6.956 1.00 0.00 H ATOM 3011 H LEU B 97 8.150 1.957 -5.682 1.00 0.00 H ATOM 3012 N PHE B 98 9.069 1.233 -1.842 1.00 28.49 N ATOM 3013 CA PHE B 98 9.694 2.110 -0.855 1.00 27.15 C ATOM 3014 C PHE B 98 11.091 1.645 -0.480 1.00 28.41 C ATOM 3015 O PHE B 98 11.358 0.447 -0.459 1.00 29.49 O ATOM 3016 CB PHE B 98 8.846 2.180 0.394 1.00 26.90 C ATOM 3017 CG PHE B 98 7.625 3.019 0.233 1.00 32.45 C ATOM 3018 CD1 PHE B 98 6.502 2.511 -0.413 1.00 28.44 C ATOM 3019 CD2 PHE B 98 7.593 4.320 0.728 1.00 29.47 C ATOM 3020 CE1 PHE B 98 5.363 3.294 -0.565 1.00 28.55 C ATOM 3021 CE2 PHE B 98 6.474 5.091 0.590 1.00 28.43 C ATOM 3022 CZ PHE B 98 5.351 4.577 -0.068 1.00 27.98 C ATOM 3023 HA PHE B 98 9.774 3.097 -1.311 1.00 0.00 H ATOM 3024 HB2 PHE B 98 8.538 1.169 0.660 1.00 0.00 H ATOM 3025 HB3 PHE B 98 9.450 2.599 1.199 1.00 0.00 H ATOM 3026 HD2 PHE B 98 8.470 4.727 1.231 1.00 0.00 H ATOM 3027 HE2 PHE B 98 6.456 6.104 0.991 1.00 0.00 H ATOM 3028 HZ PHE B 98 4.462 5.196 -0.187 1.00 0.00 H ATOM 3029 HE1 PHE B 98 4.486 2.894 -1.074 1.00 0.00 H ATOM 3030 HD1 PHE B 98 6.515 1.493 -0.802 1.00 0.00 H ATOM 3031 H PHE B 98 8.717 0.303 -1.538 1.00 0.00 H ATOM 3032 N GLY B 99 11.988 2.589 -0.203 1.00 29.13 N ATOM 3033 CA GLY B 99 13.267 2.247 0.393 1.00 32.41 C ATOM 3034 C GLY B 99 13.045 1.971 1.872 1.00 32.00 C ATOM 3035 O GLY B 99 11.964 2.232 2.397 1.00 29.93 O ATOM 3036 HA3 GLY B 99 13.964 3.077 0.273 1.00 0.00 H ATOM 3037 HA2 GLY B 99 13.674 1.359 -0.091 1.00 0.00 H ATOM 3038 H GLY B 99 11.770 3.583 -0.416 1.00 0.00 H ATOM 3039 N GLY B 100 14.066 1.463 2.554 1.00 30.07 N ATOM 3040 CA GLY B 100 13.964 1.182 3.973 1.00 26.49 C ATOM 3041 C GLY B 100 14.150 2.403 4.868 1.00 31.07 C ATOM 3042 O GLY B 100 14.173 2.272 6.105 1.00 32.03 O ATOM 3043 HA3 GLY B 100 14.728 0.449 4.232 1.00 0.00 H ATOM 3044 HA2 GLY B 100 12.977 0.762 4.168 1.00 0.00 H ATOM 3045 H GLY B 100 14.958 1.262 2.059 1.00 0.00 H ATOM 3046 N GLY B 101 14.284 3.591 4.271 1.00 26.11 N ATOM 3047 CA GLY B 101 14.433 4.795 5.074 1.00 26.84 C ATOM 3048 C GLY B 101 15.872 5.123 5.509 1.00 31.05 C ATOM 3049 O GLY B 101 16.755 4.250 5.621 1.00 28.08 O ATOM 3050 HA3 GLY B 101 13.828 4.677 5.973 1.00 0.00 H ATOM 3051 HA2 GLY B 101 14.057 5.637 4.492 1.00 0.00 H ATOM 3052 H GLY B 101 14.282 3.655 3.233 1.00 0.00 H ATOM 3053 N THR B 102 16.106 6.413 5.722 1.00 32.20 N ATOM 3054 CA THR B 102 17.352 6.898 6.279 1.00 37.11 C ATOM 3055 C THR B 102 17.054 7.634 7.581 1.00 36.70 C ATOM 3056 O THR B 102 16.255 8.574 7.592 1.00 34.66 O ATOM 3057 CB THR B 102 18.030 7.898 5.340 1.00 37.35 C ATOM 3058 OG1 THR B 102 18.286 7.284 4.061 1.00 36.08 O ATOM 3059 CG2 THR B 102 19.322 8.376 5.970 1.00 36.80 C ATOM 3060 HA THR B 102 18.007 6.041 6.434 1.00 0.00 H ATOM 3061 HB THR B 102 17.373 8.753 5.181 1.00 0.00 H ATOM 3062 HG1 THR B 102 18.879 6.501 4.185 1.00 0.00 H ATOM 3063 HG23 THR B 102 19.106 8.836 6.934 1.00 0.00 H ATOM 3064 HG21 THR B 102 19.991 7.527 6.113 1.00 0.00 H ATOM 3065 HG22 THR B 102 19.795 9.107 5.315 1.00 0.00 H ATOM 3066 H THR B 102 15.366 7.102 5.479 1.00 0.00 H ATOM 3067 N GLN B 103 17.684 7.197 8.666 1.00 51.69 N ATOM 3068 CA GLN B 103 17.567 7.860 9.961 1.00 53.33 C ATOM 3069 C GLN B 103 18.494 9.069 9.988 1.00 51.64 C ATOM 3070 O GLN B 103 19.712 8.922 10.002 1.00 59.16 O ATOM 3071 CB GLN B 103 17.937 6.874 11.074 1.00 54.63 C ATOM 3072 CG GLN B 103 17.740 7.360 12.503 1.00 59.14 C ATOM 3073 CD GLN B 103 18.286 6.359 13.551 1.00 69.36 C ATOM 3074 OE1 GLN B 103 18.952 5.364 13.211 1.00 68.44 O ATOM 3075 NE2 GLN B 103 18.003 6.628 14.833 1.00 70.18 N ATOM 3076 HA GLN B 103 16.542 8.195 10.119 1.00 0.00 H ATOM 3077 HB2 GLN B 103 17.328 5.980 10.941 1.00 0.00 H ATOM 3078 HB3 GLN B 103 18.989 6.617 10.953 1.00 0.00 H ATOM 3079 HG2 GLN B 103 18.259 8.311 12.624 1.00 0.00 H ATOM 3080 HG3 GLN B 103 16.674 7.505 12.679 1.00 0.00 H ATOM 3081 HE22 GLN B 103 17.443 7.470 15.076 1.00 0.00 H ATOM 3082 HE21 GLN B 103 18.343 5.995 15.585 1.00 0.00 H ATOM 3083 H GLN B 103 18.283 6.350 8.590 1.00 0.00 H ATOM 3084 N LEU B 104 17.926 10.265 9.946 1.00 33.48 N ATOM 3085 CA LEU B 104 18.738 11.478 10.029 1.00 36.76 C ATOM 3086 C LEU B 104 18.897 11.937 11.461 1.00 43.20 C ATOM 3087 O LEU B 104 17.905 12.185 12.150 1.00 42.91 O ATOM 3088 CB LEU B 104 18.140 12.627 9.219 1.00 32.46 C ATOM 3089 CG LEU B 104 18.903 13.950 9.343 1.00 38.81 C ATOM 3090 CD1 LEU B 104 20.357 13.814 8.880 1.00 42.70 C ATOM 3091 CD2 LEU B 104 18.222 15.043 8.558 1.00 36.38 C ATOM 3092 HA LEU B 104 19.711 11.217 9.613 1.00 0.00 H ATOM 3093 HB2 LEU B 104 18.130 12.336 8.169 1.00 0.00 H ATOM 3094 HB3 LEU B 104 17.117 12.789 9.560 1.00 0.00 H ATOM 3095 HG LEU B 104 18.903 14.216 10.400 1.00 0.00 H ATOM 3096 HD21 LEU B 104 18.180 14.761 7.506 1.00 0.00 H ATOM 3097 HD22 LEU B 104 17.210 15.185 8.938 1.00 0.00 H ATOM 3098 HD23 LEU B 104 18.785 15.970 8.664 1.00 0.00 H ATOM 3099 HD11 LEU B 104 20.863 13.068 9.492 1.00 0.00 H ATOM 3100 HD12 LEU B 104 20.377 13.504 7.835 1.00 0.00 H ATOM 3101 HD13 LEU B 104 20.862 14.774 8.985 1.00 0.00 H ATOM 3102 H LEU B 104 16.893 10.342 9.853 1.00 0.00 H ATOM 3103 N THR B 105 20.144 12.054 11.906 1.00 52.04 N ATOM 3104 CA THR B 105 20.428 12.618 13.213 1.00 50.50 C ATOM 3105 C THR B 105 21.040 14.006 13.069 1.00 52.81 C ATOM 3106 O THR B 105 21.969 14.203 12.291 1.00 54.01 O ATOM 3107 CB THR B 105 21.377 11.724 14.020 1.00 54.23 C ATOM 3108 OG1 THR B 105 20.734 10.477 14.292 1.00 52.27 O ATOM 3109 CG2 THR B 105 21.748 12.395 15.349 1.00 57.20 C ATOM 3110 HA THR B 105 19.482 12.688 13.750 1.00 0.00 H ATOM 3111 HB THR B 105 22.284 11.562 13.438 1.00 0.00 H ATOM 3112 HG1 THR B 105 21.345 9.898 14.813 1.00 0.00 H ATOM 3113 HG23 THR B 105 22.239 13.347 15.149 1.00 0.00 H ATOM 3114 HG21 THR B 105 20.844 12.567 15.933 1.00 0.00 H ATOM 3115 HG22 THR B 105 22.424 11.746 15.906 1.00 0.00 H ATOM 3116 H THR B 105 20.931 11.735 11.306 1.00 0.00 H ATOM 3117 N VAL B 106 20.511 14.970 13.814 1.00 61.32 N ATOM 3118 CA VAL B 106 21.063 16.318 13.804 1.00 63.86 C ATOM 3119 C VAL B 106 21.960 16.511 15.023 1.00 68.09 C ATOM 3120 O VAL B 106 21.516 16.359 16.162 1.00 67.09 O ATOM 3121 CB VAL B 106 19.955 17.381 13.808 1.00 66.23 C ATOM 3122 CG1 VAL B 106 20.566 18.780 13.736 1.00 64.83 C ATOM 3123 CG2 VAL B 106 18.979 17.143 12.655 1.00 61.13 C ATOM 3124 HA VAL B 106 21.643 16.439 12.889 1.00 0.00 H ATOM 3125 HB VAL B 106 19.395 17.303 14.740 1.00 0.00 H ATOM 3126 HG11 VAL B 106 21.215 18.937 14.598 1.00 0.00 H ATOM 3127 HG12 VAL B 106 21.148 18.874 12.819 1.00 0.00 H ATOM 3128 HG13 VAL B 106 19.769 19.524 13.740 1.00 0.00 H ATOM 3129 HG21 VAL B 106 19.517 17.196 11.709 1.00 0.00 H ATOM 3130 HG22 VAL B 106 18.525 16.158 12.762 1.00 0.00 H ATOM 3131 HG23 VAL B 106 18.202 17.907 12.675 1.00 0.00 H ATOM 3132 H VAL B 106 19.689 14.759 14.415 1.00 0.00 H ATOM 3133 N LEU B 106A 23.225 16.838 14.782 1.00 76.67 N ATOM 3134 CA LEU B 106A 24.199 16.940 15.866 1.00 77.71 C ATOM 3135 C LEU B 106A 24.045 18.210 16.685 1.00 77.33 C ATOM 3136 O LEU B 106A 24.424 18.242 17.852 1.00 84.39 O ATOM 3137 CB LEU B 106A 25.619 16.837 15.316 1.00 77.60 C ATOM 3138 CG LEU B 106A 26.301 15.483 15.519 1.00 79.42 C ATOM 3139 CD1 LEU B 106A 25.284 14.396 15.830 1.00 77.03 C ATOM 3140 CD2 LEU B 106A 27.168 15.106 14.311 1.00 75.31 C ATOM 3141 HA LEU B 106A 24.005 16.105 16.539 1.00 0.00 H ATOM 3142 HB2 LEU B 106A 25.581 17.039 14.245 1.00 0.00 H ATOM 3143 HB3 LEU B 106A 26.227 17.598 15.806 1.00 0.00 H ATOM 3144 HG LEU B 106A 26.962 15.574 16.381 1.00 0.00 H ATOM 3145 HD21 LEU B 106A 26.542 15.049 13.420 1.00 0.00 H ATOM 3146 HD22 LEU B 106A 27.938 15.864 14.168 1.00 0.00 H ATOM 3147 HD23 LEU B 106A 27.637 14.139 14.490 1.00 0.00 H ATOM 3148 HD11 LEU B 106A 24.745 14.655 16.741 1.00 0.00 H ATOM 3149 HD12 LEU B 106A 24.580 14.311 15.002 1.00 0.00 H ATOM 3150 HD13 LEU B 106A 25.800 13.446 15.969 1.00 0.00 H ATOM 3151 H LEU B 106A 23.527 17.025 13.804 1.00 0.00 H TER 3152 LEU B 106A HETATM 3153 O HOH 1 2.612 -3.622 -15.498 1.00 45.09 O HETATM 3154 O HOH 2 -8.162 -5.532 -14.532 1.00 50.14 O HETATM 3155 O HOH 3 -21.009 2.677 -23.464 1.00 58.41 O HETATM 3156 O HOH 4 -17.145 7.045 -22.923 1.00 52.37 O HETATM 3157 O HOH 5 -10.478 13.901 5.902 1.00 60.18 O HETATM 3158 O HOH 6 2.635 11.878 -5.392 1.00 24.27 O HETATM 3159 O HOH 7 -13.633 6.719 -5.319 1.00 35.83 O HETATM 3160 O HOH 8 -3.231 19.153 -6.106 1.00 40.78 O HETATM 3161 O HOH 9 -5.873 14.225 -15.140 1.00 30.32 O HETATM 3162 O HOH 10 -6.660 17.475 -4.278 1.00 40.01 O HETATM 3163 O HOH 11 -6.407 0.451 -16.438 1.00 36.63 O HETATM 3164 O HOH 12 0.119 8.884 -7.174 1.00 21.93 O HETATM 3165 O HOH 13 -9.723 7.245 5.849 1.00 46.04 O HETATM 3166 O HOH 14 -11.871 13.808 -12.926 1.00 45.22 O HETATM 3167 O HOH 15 -8.563 14.135 -8.277 1.00 29.88 O HETATM 3168 O HOH 16 -14.852 3.052 0.294 1.00 33.10 O HETATM 3169 O HOH 17 -14.215 5.132 1.669 1.00 29.46 O HETATM 3170 O HOH 18 -2.607 -3.095 -10.275 1.00 38.48 O HETATM 3171 O HOH 19 -21.919 -0.016 -2.549 1.00 39.64 O HETATM 3172 O HOH 20 -21.073 2.237 -3.679 1.00 31.71 O HETATM 3173 O HOH 21 -2.771 -5.773 -1.274 1.00 46.69 O HETATM 3174 O HOH 22 -5.184 5.918 5.930 1.00 46.05 O HETATM 3175 O HOH 23 -2.661 1.619 -15.373 1.00 46.23 O HETATM 3176 O HOH 24 -22.167 3.879 -14.496 1.00 42.54 O HETATM 3177 O HOH 25 -11.796 15.341 -15.465 1.00 41.41 O HETATM 3178 O HOH 26 -8.585 24.237 -4.830 1.00 41.69 O HETATM 3179 O HOH 27 3.613 -1.509 -6.167 1.00 42.19 O HETATM 3180 O HOH 28 -14.414 -1.172 -2.258 1.00 40.29 O HETATM 3181 O HOH 29 -4.170 14.170 7.970 1.00 47.79 O HETATM 3182 O HOH 30 -21.344 6.283 -15.084 1.00 47.32 O HETATM 3183 O HOH 31 -17.974 -2.854 -8.016 1.00 40.63 O HETATM 3184 O HOH 32 -19.760 8.157 -8.473 1.00 46.98 O HETATM 3185 O HOH 33 -9.068 -4.165 -21.344 1.00 30.94 O HETATM 3186 O HOH 34 2.226 16.515 5.332 1.00 59.47 O HETATM 3187 O HOH 35 2.829 7.947 -22.071 1.00 36.84 O HETATM 3188 O HOH 36 12.382 -1.209 -2.153 1.00 38.42 O HETATM 3189 O HOH 37 14.353 13.567 -5.339 1.00 30.53 O HETATM 3190 O HOH 38 5.082 12.956 -1.896 1.00 25.92 O HETATM 3191 O HOH 39 20.327 4.182 -8.770 1.00 32.14 O HETATM 3192 O HOH 40 17.611 22.752 -0.126 1.00 51.15 O HETATM 3193 O HOH 41 4.309 11.857 -7.605 1.00 34.16 O HETATM 3194 O HOH 42 9.832 13.081 -11.637 1.00 31.01 O HETATM 3195 O HOH 43 12.590 10.328 -9.766 1.00 29.09 O HETATM 3196 O HOH 44 6.052 11.987 11.234 1.00 42.11 O HETATM 3197 O HOH 45 1.543 14.279 -4.896 1.00 31.14 O HETATM 3198 O HOH 46 25.450 3.230 -3.914 1.00 53.76 O HETATM 3199 O HOH 47 7.991 2.484 -16.472 1.00 35.19 O HETATM 3200 O HOH 48 1.699 14.435 4.168 1.00 36.89 O HETATM 3201 O HOH 49 18.255 17.768 -3.690 1.00 45.28 O HETATM 3202 O HOH 50 3.137 2.978 -10.333 1.00 29.03 O HETATM 3203 O HOH 51 7.851 -1.509 -9.606 1.00 46.42 O HETATM 3204 O HOH 52 7.513 22.884 -6.137 1.00 44.08 O HETATM 3205 O HOH 53 6.511 25.336 -0.769 1.00 51.16 O HETATM 3206 O HOH 54 24.998 8.360 -8.236 1.00 50.68 O HETATM 3207 O HOH 55 25.604 15.212 2.510 1.00 53.40 O HETATM 3208 O HOH 56 17.686 17.186 -10.835 1.00 42.37 O HETATM 3209 O HOH 57 16.343 0.991 1.468 1.00 28.89 O HETATM 3210 O1 UNN A 58 1.198 3.315 1.646 1.00 -0.34 O HETATM 3211 C5 UNN A 58 1.449 4.402 0.763 1.00 0.08 C HETATM 3212 C4 UNN A 58 1.436 4.236 -0.650 1.00 -0.04 C HETATM 3213 C3 UNN A 58 1.652 5.356 -1.530 1.00 -0.07 C HETATM 3214 C2 UNN A 58 1.869 6.635 -1.021 1.00 -0.03 C HETATM 3215 C7 UNN A 58 1.899 6.802 0.410 1.00 -0.07 C HETATM 3216 C6 UNN A 58 1.677 5.689 1.278 1.00 -0.04 C HETATM 3217 H5 UNN A 58 1.685 5.840 2.351 1.00 0.05 H HETATM 3218 H4 UNN A 58 2.092 7.782 0.832 1.00 0.05 H HETATM 3219 C1 UNN A 58 2.123 7.787 -1.917 1.00 0.04 C HETATM 3220 C14 UNN A 58 1.556 9.057 -1.595 1.00 -0.03 C HETATM 3221 C19 UNN A 58 2.162 10.285 -1.966 1.00 -0.07 C HETATM 3222 C18 UNN A 58 1.521 11.529 -1.752 1.00 -0.05 C HETATM 3223 C17 UNN A 58 0.221 11.590 -1.115 1.00 0.03 C HETATM 3224 N2 UNN A 58 -0.553 12.807 -1.023 1.00 -0.32 N HETATM 3225 C23 UNN A 58 -1.981 12.676 -0.808 1.00 0.01 C HETATM 3226 H9 UNN A 58 -2.438 13.676 -0.759 1.00 0.05 H HETATM 3227 H10 UNN A 58 -2.162 12.143 0.137 1.00 0.05 H HETATM 3228 H11 UNN A 58 -2.426 12.110 -1.639 1.00 0.05 H HETATM 3229 C22 UNN A 58 0.091 14.104 -1.252 1.00 0.01 C HETATM 3230 H12 UNN A 58 1.173 13.957 -1.389 1.00 0.05 H HETATM 3231 H13 UNN A 58 -0.084 14.758 -0.385 1.00 0.05 H HETATM 3232 H14 UNN A 58 -0.333 14.570 -2.154 1.00 0.05 H HETATM 3233 C16 UNN A 58 -0.373 10.362 -0.765 1.00 -0.05 C HETATM 3234 C15 UNN A 58 0.261 9.117 -0.983 1.00 -0.07 C HETATM 3235 H16 UNN A 58 -0.236 8.201 -0.685 1.00 0.05 H HETATM 3236 H15 UNN A 58 -1.357 10.372 -0.310 1.00 0.05 H HETATM 3237 H8 UNN A 58 2.007 12.445 -2.068 1.00 0.05 H HETATM 3238 H7 UNN A 58 3.143 10.270 -2.426 1.00 0.05 H HETATM 3239 C8 UNN A 58 2.928 7.638 -3.101 1.00 -0.03 C HETATM 3240 C13 UNN A 58 2.623 8.341 -4.321 1.00 -0.07 C HETATM 3241 C12 UNN A 58 3.411 8.240 -5.474 1.00 -0.05 C HETATM 3242 C11 UNN A 58 4.540 7.416 -5.463 1.00 0.03 C HETATM 3243 N1 UNN A 58 5.350 7.375 -6.528 1.00 -0.32 N HETATM 3244 C21 UNN A 58 4.855 7.832 -7.850 1.00 0.01 C HETATM 3245 H19 UNN A 58 5.655 7.725 -8.598 1.00 0.05 H HETATM 3246 H20 UNN A 58 4.554 8.888 -7.784 1.00 0.05 H HETATM 3247 H21 UNN A 58 3.990 7.222 -8.149 1.00 0.05 H HETATM 3248 C20 UNN A 58 6.735 6.974 -6.411 1.00 0.01 C HETATM 3249 H22 UNN A 58 6.941 6.665 -5.376 1.00 0.05 H HETATM 3250 H23 UNN A 58 7.386 7.820 -6.677 1.00 0.05 H HETATM 3251 H24 UNN A 58 6.932 6.132 -7.091 1.00 0.05 H HETATM 3252 C10 UNN A 58 4.857 6.718 -4.278 1.00 -0.05 C HETATM 3253 C9 UNN A 58 4.048 6.832 -3.101 1.00 -0.07 C HETATM 3254 H26 UNN A 58 4.317 6.282 -2.206 1.00 0.05 H HETATM 3255 H25 UNN A 58 5.734 6.080 -4.258 1.00 0.05 H HETATM 3256 H18 UNN A 58 3.148 8.796 -6.367 1.00 0.05 H HETATM 3257 H17 UNN A 58 1.745 8.976 -4.348 1.00 0.05 H HETATM 3258 H6 UNN A 58 3.025 8.039 -1.339 1.00 0.07 H HETATM 3259 H3 UNN A 58 1.646 5.202 -2.603 1.00 0.05 H HETATM 3260 H2 UNN A 58 1.261 3.252 -1.071 1.00 0.05 H HETATM 3261 H1 UNN A 58 1.250 3.620 2.544 1.00 0.25 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 297 296 301 1302 CONECT 1302 297 1301 1306 CONECT 1577 1578 1585 1586 1587 CONECT 1585 1577 CONECT 1586 1577 CONECT 1587 1577 CONECT 1873 1872 1877 2878 CONECT 2878 1873 2877 2882 CONECT 3210 3211 3261 CONECT 3211 3210 3212 3216 CONECT 3212 3211 3213 3260 CONECT 3213 3212 3214 3259 CONECT 3214 3213 3215 3219 CONECT 3215 3214 3216 3218 CONECT 3216 3211 3215 3217 CONECT 3217 3216 CONECT 3218 3215 CONECT 3219 3214 3220 3239 3258 CONECT 3220 3219 3221 3234 CONECT 3221 3220 3222 3238 CONECT 3222 3221 3223 3237 CONECT 3223 3222 3224 3233 CONECT 3224 3223 3225 3229 CONECT 3225 3224 3226 3227 3228 CONECT 3226 3225 CONECT 3227 3225 CONECT 3228 3225 CONECT 3229 3224 3230 3231 3232 CONECT 3230 3229 CONECT 3231 3229 CONECT 3232 3229 CONECT 3233 3223 3234 3236 CONECT 3234 3220 3233 3235 CONECT 3235 3234 CONECT 3236 3233 CONECT 3237 3222 CONECT 3238 3221 CONECT 3239 3219 3240 3253 CONECT 3240 3239 3241 3257 CONECT 3241 3240 3242 3256 CONECT 3242 3241 3243 3252 CONECT 3243 3242 3244 3248 CONECT 3244 3243 3245 3246 3247 CONECT 3245 3244 CONECT 3246 3244 CONECT 3247 3244 CONECT 3248 3243 3249 3250 3251 CONECT 3249 3248 CONECT 3250 3248 CONECT 3251 3248 CONECT 3252 3242 3253 3255 CONECT 3253 3239 3252 3254 CONECT 3254 3253 CONECT 3255 3252 CONECT 3256 3241 CONECT 3257 3240 CONECT 3258 3219 CONECT 3259 3213 CONECT 3260 3212 CONECT 3261 3210 MASTER 0 0 0 0 0 0 0 0 3259 2 64 18 END
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Structure:
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Related entries of code: 4k3h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4k3h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Immunoglobulin lambda variable domain L5(L89S)
Ligand Name
1OM
EC.Number
E.C.-.-.-.-
Resolution
2.45(Å)
Affinity (Kd/Ki/IC50)
Kd=140nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Mol.Biol. Vol. 425: pp. 4595-4613
Ligand Properties
Formula
C
2
3
H
2
6
N
2
O
Molecular Weight
346.465
Exact Mass
346.205
No. of atoms
52
No. of bonds
54
Polar Surface Area
26.71
LOGP Value
5.19 (
Computed with XLOGP3
)
4.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Oc1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
InChI String
InChI=1S/C23H26N2O/c1-24(2)20-11-5-17(6-12-20)23(19-9-15-22(26)16-10-19)18-7-13-21(14-8-18)25(3)4/h5-16,23,26H,1-4H3
Links to External Databases
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The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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