Browse entries in the PDBbind-CN Database
HEADER 6PVY_COMPLEX COMPND 6PVY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 188 ALA GLN TYR GLU ASP GLY LYS GLN TYR THR THR LEU GLU SEQRES 2 A 188 LYS PRO VAL ALA GLY ALA PRO GLN VAL LEU GLU PHE PHE SEQRES 3 A 188 SER PHE PHE CYS PRO HIS CYS TYR GLN PHE GLU GLU VAL SEQRES 4 A 188 LEU HIS ILE SER ASP ASN VAL LYS LYS LYS LEU PRO GLU SEQRES 5 A 188 GLY VAL LYS MET THR LYS TYR HIS VAL ASN PHE MET GLY SEQRES 6 A 188 GLY ASP LEU GLY LYS ASP LEU THR GLN ALA TRP ALA VAL SEQRES 7 A 188 ALA MET ALA LEU GLY VAL GLU ASP LYS VAL THR VAL PRO SEQRES 8 A 188 LEU PHE GLU GLY VAL GLN LYS THR GLN THR ILE ARG SER SEQRES 9 A 188 ALA SER ASP ILE ARG ASP VAL PHE ILE ASN ALA GLY ILE SEQRES 10 A 188 LYS GLY GLU GLU TYR ASP ALA ALA TRP ASN SER PHE VAL SEQRES 11 A 188 VAL LYS SER LEU VAL ALA GLN GLN GLU LYS ALA ALA ALA SEQRES 12 A 188 ASP VAL GLN LEU ARG GLY VAL PRO ALA MET PHE VAL ASN SEQRES 13 A 188 GLY LYS TYR GLN LEU ASN PRO GLN GLY MET ASP THR SER SEQRES 14 A 188 ASN MET ASP VAL PHE VAL GLN GLN TYR ALA ASP THR VAL SEQRES 15 A 188 LYS TYR LEU SER GLU LYS HET OZG A 331 35 SSBOND 1 CYS A 30 CYS A 33 ATOM 1 N ALA A 1 22.661 -18.762 -19.621 1.00 61.57 N ATOM 2 CA ALA A 1 23.728 -19.255 -18.758 1.00 62.08 C ATOM 3 C ALA A 1 23.261 -19.331 -17.307 1.00 54.15 C ATOM 4 O ALA A 1 22.377 -18.584 -16.890 1.00 56.00 O ATOM 5 CB ALA A 1 24.957 -18.368 -18.876 1.00 67.24 C ATOM 6 HN3 ALA A 1 22.376 -17.811 -19.310 1.00 0.00 H ATOM 7 HN2 ALA A 1 21.846 -19.405 -19.564 1.00 0.00 H ATOM 8 HN1 ALA A 1 23.002 -18.719 -20.602 1.00 0.00 H ATOM 9 N GLN A 2 23.864 -20.236 -16.536 1.00 47.41 N ATOM 10 CA GLN A 2 23.456 -20.408 -15.145 1.00 37.91 C ATOM 11 C GLN A 2 23.852 -19.204 -14.299 1.00 38.21 C ATOM 12 O GLN A 2 23.075 -18.752 -13.450 1.00 47.06 O ATOM 13 CB GLN A 2 24.065 -21.693 -14.586 1.00 41.57 C ATOM 14 CG GLN A 2 23.591 -22.951 -15.303 1.00 37.83 C ATOM 15 CD GLN A 2 22.211 -23.397 -14.859 1.00 38.72 C ATOM 16 OE1 GLN A 2 21.659 -22.871 -13.887 1.00 41.99 O ATOM 17 NE2 GLN A 2 21.650 -24.373 -15.557 1.00 40.03 N ATOM 18 HE22 GLN A 2 22.152 -24.787 -16.369 1.00 0.00 H ATOM 19 HE21 GLN A 2 20.708 -24.726 -15.293 1.00 0.00 H ATOM 20 H GLN A 2 24.629 -20.822 -16.927 1.00 0.00 H ATOM 21 N TYR A 3 25.063 -18.690 -14.496 1.00 39.57 N ATOM 22 CA TYR A 3 25.502 -17.426 -13.919 1.00 41.70 C ATOM 23 C TYR A 3 25.552 -16.386 -15.029 1.00 45.04 C ATOM 24 O TYR A 3 26.084 -16.661 -16.110 1.00 51.45 O ATOM 25 CB TYR A 3 26.885 -17.552 -13.272 1.00 40.76 C ATOM 26 CG TYR A 3 26.975 -18.560 -12.145 1.00 39.62 C ATOM 27 CD1 TYR A 3 26.572 -18.233 -10.856 1.00 40.97 C ATOM 28 CD2 TYR A 3 27.485 -19.832 -12.370 1.00 38.32 C ATOM 29 CE1 TYR A 3 26.658 -19.153 -9.823 1.00 37.57 C ATOM 30 CE2 TYR A 3 27.580 -20.759 -11.343 1.00 35.59 C ATOM 31 CZ TYR A 3 27.167 -20.414 -10.073 1.00 38.32 C ATOM 32 OH TYR A 3 27.267 -21.343 -9.059 1.00 37.74 O ATOM 33 HH TYR A 3 26.933 -20.946 -8.216 1.00 0.00 H ATOM 34 H TYR A 3 25.731 -19.218 -15.093 1.00 0.00 H ATOM 35 N GLU A 4 25.010 -15.198 -14.772 1.00 45.70 N ATOM 36 CA GLU A 4 25.055 -14.164 -15.797 1.00 56.69 C ATOM 37 C GLU A 4 25.137 -12.784 -15.163 1.00 53.03 C ATOM 38 O GLU A 4 24.561 -12.538 -14.100 1.00 45.93 O ATOM 39 CB GLU A 4 23.848 -14.255 -16.741 1.00 66.30 C ATOM 40 CG GLU A 4 22.511 -14.502 -16.066 1.00 69.79 C ATOM 41 CD GLU A 4 21.457 -14.996 -17.047 1.00 74.61 C ATOM 42 OE1 GLU A 4 21.825 -15.360 -18.186 1.00 78.61 O ATOM 43 OE2 GLU A 4 20.263 -15.023 -16.681 1.00 77.33 O ATOM 44 H GLU A 4 24.561 -15.011 -13.853 1.00 0.00 H ATOM 45 N ASP A 5 25.878 -11.896 -15.822 1.00 57.91 N ATOM 46 CA ASP A 5 25.986 -10.520 -15.360 1.00 58.98 C ATOM 47 C ASP A 5 24.602 -9.895 -15.280 1.00 59.95 C ATOM 48 O ASP A 5 23.800 -10.009 -16.212 1.00 60.36 O ATOM 49 CB ASP A 5 26.886 -9.718 -16.300 1.00 60.22 C ATOM 50 CG ASP A 5 27.055 -8.277 -15.858 1.00 65.95 C ATOM 51 OD1 ASP A 5 27.249 -8.046 -14.648 1.00 68.75 O ATOM 52 OD2 ASP A 5 27.005 -7.376 -16.724 1.00 76.49 O ATOM 53 H ASP A 5 26.387 -12.190 -16.680 1.00 0.00 H ATOM 54 N GLY A 6 24.322 -9.236 -14.159 1.00 62.69 N ATOM 55 CA GLY A 6 23.006 -8.707 -13.887 1.00 67.70 C ATOM 56 C GLY A 6 22.111 -9.619 -13.077 1.00 61.47 C ATOM 57 O GLY A 6 21.070 -9.163 -12.587 1.00 60.09 O ATOM 58 H GLY A 6 25.075 -9.097 -13.456 1.00 0.00 H ATOM 59 N LYS A 7 22.477 -10.891 -12.925 1.00 53.56 N ATOM 60 CA LYS A 7 21.693 -11.815 -12.115 1.00 55.83 C ATOM 61 C LYS A 7 22.326 -11.985 -10.738 1.00 47.73 C ATOM 62 O LYS A 7 22.071 -11.183 -9.832 1.00 52.46 O ATOM 63 CB LYS A 7 21.555 -13.167 -12.822 1.00 54.10 C ATOM 64 H LYS A 7 23.340 -11.232 -13.394 1.00 0.00 H ATOM 65 N GLN A 8 23.155 -13.018 -10.565 1.00 43.20 N ATOM 66 CA GLN A 8 23.795 -13.253 -9.275 1.00 42.41 C ATOM 67 C GLN A 8 24.915 -12.269 -8.981 1.00 42.06 C ATOM 68 O GLN A 8 25.441 -12.267 -7.862 1.00 40.94 O ATOM 69 CB GLN A 8 24.361 -14.674 -9.198 1.00 41.91 C ATOM 70 CG GLN A 8 23.348 -15.778 -9.424 1.00 46.95 C ATOM 71 CD GLN A 8 23.345 -16.273 -10.853 1.00 48.77 C ATOM 72 OE1 GLN A 8 23.579 -15.506 -11.790 1.00 49.66 O ATOM 73 NE2 GLN A 8 23.089 -17.565 -11.029 1.00 50.34 N ATOM 74 HE22 GLN A 8 22.897 -18.174 -10.208 1.00 0.00 H ATOM 75 HE21 GLN A 8 23.080 -17.968 -11.988 1.00 0.00 H ATOM 76 H GLN A 8 23.346 -13.662 -11.359 1.00 0.00 H ATOM 77 N TYR A 9 25.299 -11.448 -9.951 1.00 40.04 N ATOM 78 CA TYR A 9 26.397 -10.511 -9.775 1.00 42.82 C ATOM 79 C TYR A 9 26.256 -9.418 -10.820 1.00 42.59 C ATOM 80 O TYR A 9 25.574 -9.586 -11.833 1.00 45.06 O ATOM 81 CB TYR A 9 27.757 -11.205 -9.905 1.00 39.58 C ATOM 82 CG TYR A 9 28.074 -11.660 -11.316 1.00 45.29 C ATOM 83 CD1 TYR A 9 27.615 -12.882 -11.793 1.00 48.21 C ATOM 84 CD2 TYR A 9 28.826 -10.864 -12.174 1.00 47.38 C ATOM 85 CE1 TYR A 9 27.894 -13.298 -13.078 1.00 51.85 C ATOM 86 CE2 TYR A 9 29.113 -11.275 -13.463 1.00 50.69 C ATOM 87 CZ TYR A 9 28.644 -12.493 -13.909 1.00 53.32 C ATOM 88 OH TYR A 9 28.925 -12.913 -15.188 1.00 55.78 O ATOM 89 HH TYR A 9 28.515 -13.801 -15.340 1.00 0.00 H ATOM 90 H TYR A 9 24.800 -11.476 -10.863 1.00 0.00 H ATOM 91 N THR A 10 26.905 -8.292 -10.552 1.00 42.42 N ATOM 92 CA THR A 10 27.008 -7.206 -11.510 1.00 47.82 C ATOM 93 C THR A 10 28.481 -6.942 -11.785 1.00 52.23 C ATOM 94 O THR A 10 29.363 -7.387 -11.046 1.00 44.60 O ATOM 95 CB THR A 10 26.311 -5.937 -10.998 1.00 55.16 C ATOM 96 OG1 THR A 10 26.888 -5.542 -9.748 1.00 52.70 O ATOM 97 CG2 THR A 10 24.822 -6.193 -10.798 1.00 54.03 C ATOM 98 HG1 THR A 10 26.772 -6.270 -9.088 1.00 0.00 H ATOM 99 H THR A 10 27.356 -8.183 -9.621 1.00 0.00 H ATOM 100 N THR A 11 28.748 -6.224 -12.869 1.00 59.64 N ATOM 101 CA THR A 11 30.113 -5.955 -13.298 1.00 63.12 C ATOM 102 C THR A 11 30.372 -4.462 -13.184 1.00 64.66 C ATOM 103 O THR A 11 29.705 -3.661 -13.847 1.00 73.76 O ATOM 104 CB THR A 11 30.349 -6.445 -14.727 1.00 66.10 C ATOM 105 OG1 THR A 11 29.904 -7.803 -14.843 1.00 62.81 O ATOM 106 CG2 THR A 11 31.826 -6.382 -15.071 1.00 70.56 C ATOM 107 HG1 THR A 11 30.056 -8.121 -15.768 1.00 0.00 H ATOM 108 H THR A 11 27.959 -5.842 -13.428 1.00 0.00 H ATOM 109 N LEU A 12 31.335 -4.093 -12.343 1.00 62.07 N ATOM 110 CA LEU A 12 31.665 -2.689 -12.146 1.00 62.85 C ATOM 111 C LEU A 12 31.999 -2.022 -13.473 1.00 68.42 C ATOM 112 O LEU A 12 32.751 -2.568 -14.286 1.00 64.96 O ATOM 113 CB LEU A 12 32.842 -2.557 -11.183 1.00 51.55 C ATOM 114 CG LEU A 12 32.572 -3.007 -9.747 1.00 48.37 C ATOM 115 CD1 LEU A 12 33.858 -2.977 -8.946 1.00 54.67 C ATOM 116 CD2 LEU A 12 31.519 -2.114 -9.116 1.00 62.48 C ATOM 117 H LEU A 12 31.861 -4.820 -11.817 1.00 0.00 H ATOM 118 N GLU A 13 31.436 -0.831 -13.686 1.00 80.84 N ATOM 119 CA GLU A 13 31.734 -0.082 -14.900 1.00 89.15 C ATOM 120 C GLU A 13 33.162 0.445 -14.894 1.00 87.89 C ATOM 121 O GLU A 13 33.765 0.613 -15.960 1.00 88.60 O ATOM 122 CB GLU A 13 30.740 1.067 -15.064 1.00 96.70 C ATOM 123 CG GLU A 13 29.290 0.638 -14.936 1.00 98.85 C ATOM 124 CD GLU A 13 28.325 1.671 -15.475 1.00103.14 C ATOM 125 OE1 GLU A 13 28.760 2.810 -15.751 1.00105.80 O ATOM 126 OE2 GLU A 13 27.131 1.338 -15.630 1.00103.53 O ATOM 127 H GLU A 13 30.781 -0.435 -12.982 1.00 0.00 H ATOM 128 N LYS A 14 33.720 0.711 -13.712 1.00 80.00 N ATOM 129 CA LYS A 14 35.108 1.144 -13.563 1.00 77.87 C ATOM 130 C LYS A 14 35.825 0.121 -12.693 1.00 73.31 C ATOM 131 O LYS A 14 35.792 0.212 -11.457 1.00 68.55 O ATOM 132 CB LYS A 14 35.192 2.546 -12.963 1.00 75.17 C ATOM 133 H LYS A 14 33.140 0.605 -12.855 1.00 0.00 H ATOM 134 N PRO A 15 36.471 -0.878 -13.293 1.00 72.48 N ATOM 135 CA PRO A 15 37.188 -1.877 -12.491 1.00 68.37 C ATOM 136 C PRO A 15 38.252 -1.225 -11.622 1.00 69.02 C ATOM 137 O PRO A 15 38.904 -0.258 -12.022 1.00 75.67 O ATOM 138 CB PRO A 15 37.811 -2.798 -13.545 1.00 75.42 C ATOM 139 CG PRO A 15 36.964 -2.615 -14.759 1.00 77.68 C ATOM 140 CD PRO A 15 36.503 -1.188 -14.730 1.00 78.62 C ATOM 141 N VAL A 16 38.431 -1.777 -10.428 1.00 64.19 N ATOM 142 CA VAL A 16 39.364 -1.233 -9.446 1.00 66.85 C ATOM 143 C VAL A 16 40.689 -1.971 -9.567 1.00 63.42 C ATOM 144 O VAL A 16 40.770 -3.171 -9.284 1.00 64.76 O ATOM 145 CB VAL A 16 38.808 -1.348 -8.021 1.00 60.87 C ATOM 146 CG1 VAL A 16 39.791 -0.743 -7.034 1.00 67.04 C ATOM 147 CG2 VAL A 16 37.442 -0.677 -7.919 1.00 61.25 C ATOM 148 H VAL A 16 37.886 -2.628 -10.183 1.00 0.00 H ATOM 149 N ALA A 17 41.729 -1.248 -9.972 1.00 78.44 N ATOM 150 CA ALA A 17 43.044 -1.848 -10.142 1.00 77.26 C ATOM 151 C ALA A 17 43.627 -2.253 -8.793 1.00 73.54 C ATOM 152 O ALA A 17 43.646 -1.458 -7.847 1.00 69.82 O ATOM 153 CB ALA A 17 43.979 -0.870 -10.853 1.00 69.29 C ATOM 154 H ALA A 17 41.600 -0.235 -10.171 1.00 0.00 H ATOM 155 N GLY A 18 44.097 -3.495 -8.706 1.00 76.57 N ATOM 156 CA GLY A 18 44.770 -3.978 -7.515 1.00 80.61 C ATOM 157 C GLY A 18 43.914 -3.998 -6.266 1.00 78.46 C ATOM 158 O GLY A 18 44.309 -3.461 -5.227 1.00 80.24 O ATOM 159 H GLY A 18 43.978 -4.138 -9.515 1.00 0.00 H ATOM 160 N ALA A 19 42.745 -4.610 -6.350 1.00 76.60 N ATOM 161 CA ALA A 19 41.889 -4.761 -5.188 1.00 65.06 C ATOM 162 C ALA A 19 42.038 -6.153 -4.595 1.00 63.48 C ATOM 163 O ALA A 19 42.508 -7.078 -5.262 1.00 64.39 O ATOM 164 CB ALA A 19 40.425 -4.510 -5.566 1.00 67.22 C ATOM 165 H ALA A 19 42.433 -4.990 -7.266 1.00 0.00 H ATOM 166 N PRO A 20 41.658 -6.340 -3.332 1.00 63.40 N ATOM 167 CA PRO A 20 41.721 -7.682 -2.741 1.00 60.28 C ATOM 168 C PRO A 20 40.923 -8.679 -3.567 1.00 58.55 C ATOM 169 O PRO A 20 39.975 -8.319 -4.269 1.00 67.48 O ATOM 170 CB PRO A 20 41.106 -7.491 -1.350 1.00 46.14 C ATOM 171 CG PRO A 20 41.265 -6.037 -1.052 1.00 55.33 C ATOM 172 CD PRO A 20 41.169 -5.330 -2.378 1.00 59.96 C ATOM 173 N GLN A 21 41.314 -9.951 -3.473 1.00 43.69 N ATOM 174 CA GLN A 21 40.652 -10.978 -4.272 1.00 47.87 C ATOM 175 C GLN A 21 39.181 -11.092 -3.900 1.00 46.79 C ATOM 176 O GLN A 21 38.305 -11.105 -4.772 1.00 41.25 O ATOM 177 CB GLN A 21 41.360 -12.323 -4.100 1.00 59.52 C ATOM 178 H GLN A 21 42.090 -10.211 -2.831 1.00 0.00 H ATOM 179 N VAL A 22 38.892 -11.171 -2.604 1.00 44.33 N ATOM 180 CA VAL A 22 37.533 -11.241 -2.086 1.00 35.93 C ATOM 181 C VAL A 22 37.434 -10.165 -1.015 1.00 32.28 C ATOM 182 O VAL A 22 38.129 -10.239 0.006 1.00 40.72 O ATOM 183 CB VAL A 22 37.196 -12.623 -1.512 1.00 45.18 C ATOM 184 CG1 VAL A 22 35.785 -12.634 -0.938 1.00 43.89 C ATOM 185 CG2 VAL A 22 37.347 -13.696 -2.586 1.00 55.36 C ATOM 186 H VAL A 22 39.679 -11.183 -1.924 1.00 0.00 H ATOM 187 N LEU A 23 36.600 -9.157 -1.254 1.00 43.04 N ATOM 188 CA LEU A 23 36.516 -7.988 -0.384 1.00 39.36 C ATOM 189 C LEU A 23 35.083 -7.820 0.089 1.00 35.41 C ATOM 190 O LEU A 23 34.172 -7.627 -0.724 1.00 34.41 O ATOM 191 CB LEU A 23 37.003 -6.733 -1.109 1.00 45.41 C ATOM 192 CG LEU A 23 36.936 -5.388 -0.391 1.00 53.88 C ATOM 193 CD1 LEU A 23 37.663 -5.434 0.949 1.00 58.45 C ATOM 194 CD2 LEU A 23 37.526 -4.306 -1.287 1.00 60.95 C ATOM 195 H LEU A 23 35.985 -9.203 -2.091 1.00 0.00 H ATOM 196 N GLU A 24 34.889 -7.875 1.402 1.00 30.89 N ATOM 197 CA GLU A 24 33.576 -7.770 2.010 1.00 31.04 C ATOM 198 C GLU A 24 33.497 -6.447 2.762 1.00 28.72 C ATOM 199 O GLU A 24 34.486 -6.007 3.356 1.00 32.55 O ATOM 200 CB GLU A 24 33.341 -8.959 2.945 1.00 36.35 C ATOM 201 CG GLU A 24 31.912 -9.192 3.356 1.00 54.55 C ATOM 202 CD GLU A 24 31.710 -10.563 3.989 1.00 66.35 C ATOM 203 OE1 GLU A 24 32.501 -11.487 3.682 1.00 58.92 O ATOM 204 OE2 GLU A 24 30.764 -10.715 4.794 1.00 78.56 O ATOM 205 H GLU A 24 35.715 -7.999 2.022 1.00 0.00 H ATOM 206 N PHE A 25 32.356 -5.776 2.666 1.00 31.51 N ATOM 207 CA PHE A 25 32.105 -4.573 3.446 1.00 28.12 C ATOM 208 C PHE A 25 30.912 -4.804 4.359 1.00 25.11 C ATOM 209 O PHE A 25 29.956 -5.486 3.991 1.00 28.82 O ATOM 210 CB PHE A 25 31.846 -3.363 2.552 1.00 30.66 C ATOM 211 CG PHE A 25 33.059 -2.905 1.778 1.00 29.04 C ATOM 212 CD1 PHE A 25 34.019 -2.116 2.384 1.00 30.17 C ATOM 213 CD2 PHE A 25 33.231 -3.264 0.449 1.00 34.08 C ATOM 214 CE1 PHE A 25 35.129 -1.678 1.683 1.00 36.60 C ATOM 215 CE2 PHE A 25 34.342 -2.834 -0.260 1.00 37.61 C ATOM 216 CZ PHE A 25 35.296 -2.042 0.360 1.00 40.79 C ATOM 217 H PHE A 25 31.621 -6.119 2.015 1.00 0.00 H ATOM 218 N PHE A 26 30.974 -4.223 5.555 1.00 26.24 N ATOM 219 CA PHE A 26 29.888 -4.394 6.512 1.00 28.51 C ATOM 220 C PHE A 26 29.868 -3.193 7.438 1.00 25.27 C ATOM 221 O PHE A 26 30.797 -2.383 7.463 1.00 28.81 O ATOM 222 CB PHE A 26 30.041 -5.687 7.315 1.00 30.85 C ATOM 223 CG PHE A 26 31.034 -5.593 8.439 1.00 27.42 C ATOM 224 CD1 PHE A 26 32.398 -5.541 8.184 1.00 24.96 C ATOM 225 CD2 PHE A 26 30.601 -5.538 9.763 1.00 23.28 C ATOM 226 CE1 PHE A 26 33.316 -5.455 9.211 1.00 29.22 C ATOM 227 CE2 PHE A 26 31.522 -5.466 10.797 1.00 27.38 C ATOM 228 CZ PHE A 26 32.882 -5.413 10.522 1.00 30.01 C ATOM 229 H PHE A 26 31.801 -3.645 5.808 1.00 0.00 H ATOM 230 N SER A 27 28.790 -3.100 8.211 1.00 27.03 N ATOM 231 CA SER A 27 28.690 -2.156 9.311 1.00 29.81 C ATOM 232 C SER A 27 28.130 -2.895 10.507 1.00 27.31 C ATOM 233 O SER A 27 27.268 -3.762 10.350 1.00 27.44 O ATOM 234 CB SER A 27 27.779 -0.967 8.989 1.00 29.28 C ATOM 235 OG SER A 27 27.669 -0.129 10.130 1.00 30.03 O ATOM 236 HG SER A 27 28.567 0.203 10.382 1.00 0.00 H ATOM 237 H SER A 27 27.984 -3.730 8.020 1.00 0.00 H ATOM 238 N PHE A 28 28.618 -2.557 11.701 1.00 26.85 N ATOM 239 CA PHE A 28 27.995 -3.123 12.892 1.00 29.59 C ATOM 240 C PHE A 28 26.608 -2.546 13.152 1.00 30.92 C ATOM 241 O PHE A 28 25.884 -3.081 14.001 1.00 31.09 O ATOM 242 CB PHE A 28 28.895 -2.916 14.109 1.00 29.39 C ATOM 243 CG PHE A 28 30.095 -3.839 14.141 1.00 29.78 C ATOM 244 CD1 PHE A 28 29.939 -5.195 14.355 1.00 24.78 C ATOM 245 CD2 PHE A 28 31.375 -3.337 13.969 1.00 29.37 C ATOM 246 CE1 PHE A 28 31.038 -6.041 14.406 1.00 28.95 C ATOM 247 CE2 PHE A 28 32.478 -4.174 14.014 1.00 30.11 C ATOM 248 CZ PHE A 28 32.315 -5.520 14.219 1.00 31.15 C ATOM 249 H PHE A 28 29.424 -1.905 11.781 1.00 0.00 H ATOM 250 N PHE A 29 26.217 -1.492 12.428 1.00 30.14 N ATOM 251 CA PHE A 29 24.869 -0.937 12.478 1.00 34.33 C ATOM 252 C PHE A 29 23.917 -1.576 11.477 1.00 36.46 C ATOM 253 O PHE A 29 22.708 -1.323 11.536 1.00 38.54 O ATOM 254 CB PHE A 29 24.905 0.565 12.209 1.00 30.88 C ATOM 255 CG PHE A 29 25.304 1.376 13.389 1.00 31.17 C ATOM 256 CD1 PHE A 29 24.357 1.774 14.319 1.00 33.21 C ATOM 257 CD2 PHE A 29 26.623 1.749 13.576 1.00 37.27 C ATOM 258 CE1 PHE A 29 24.718 2.523 15.406 1.00 31.14 C ATOM 259 CE2 PHE A 29 26.989 2.503 14.673 1.00 35.24 C ATOM 260 CZ PHE A 29 26.036 2.888 15.590 1.00 37.01 C ATOM 261 H PHE A 29 26.911 -1.044 11.796 1.00 0.00 H ATOM 262 N CYS A 30 24.427 -2.406 10.586 1.00 31.47 N ATOM 263 CA CYS A 30 23.681 -2.850 9.420 1.00 32.11 C ATOM 264 C CYS A 30 22.893 -4.114 9.756 1.00 30.90 C ATOM 265 O CYS A 30 23.502 -5.145 10.076 1.00 34.89 O ATOM 266 CB CYS A 30 24.657 -3.069 8.267 1.00 32.38 C ATOM 267 SG CYS A 30 24.293 -4.342 7.063 1.00 48.81 S ATOM 268 H CYS A 30 25.397 -2.755 10.723 1.00 0.00 H ATOM 269 N PRO A 31 21.556 -4.079 9.725 1.00 35.87 N ATOM 270 CA PRO A 31 20.786 -5.255 10.163 1.00 36.18 C ATOM 271 C PRO A 31 21.019 -6.496 9.327 1.00 40.69 C ATOM 272 O PRO A 31 21.076 -7.600 9.880 1.00 40.52 O ATOM 273 CB PRO A 31 19.330 -4.773 10.069 1.00 40.12 C ATOM 274 CG PRO A 31 19.413 -3.299 10.188 1.00 41.75 C ATOM 275 CD PRO A 31 20.691 -2.907 9.507 1.00 39.65 C ATOM 276 N HIS A 32 21.136 -6.360 8.002 1.00 45.99 N ATOM 277 CA HIS A 32 21.453 -7.531 7.193 1.00 49.59 C ATOM 278 C HIS A 32 22.846 -8.063 7.497 1.00 42.28 C ATOM 279 O HIS A 32 23.059 -9.281 7.461 1.00 37.78 O ATOM 280 CB HIS A 32 21.311 -7.205 5.707 1.00 52.30 C ATOM 281 CG HIS A 32 19.890 -7.145 5.242 1.00 53.22 C ATOM 282 ND1 HIS A 32 19.468 -6.304 4.234 1.00 55.52 N ATOM 283 CD2 HIS A 32 18.791 -7.820 5.654 1.00 60.92 C ATOM 284 CE1 HIS A 32 18.170 -6.464 4.045 1.00 64.41 C ATOM 285 NE2 HIS A 32 17.735 -7.379 4.894 1.00 61.13 N ATOM 286 H HIS A 32 21.003 -5.431 7.554 1.00 0.00 H ATOM 287 N CYS A 33 23.799 -7.175 7.810 1.00 42.35 N ATOM 288 CA CYS A 33 25.142 -7.624 8.173 1.00 34.44 C ATOM 289 C CYS A 33 25.122 -8.435 9.460 1.00 37.45 C ATOM 290 O CYS A 33 25.898 -9.385 9.617 1.00 35.96 O ATOM 291 CB CYS A 33 26.089 -6.423 8.309 1.00 42.87 C ATOM 292 SG CYS A 33 26.120 -5.262 6.874 1.00 37.01 S ATOM 293 H CYS A 33 23.582 -6.158 7.795 1.00 0.00 H ATOM 294 N TYR A 34 24.255 -8.060 10.404 1.00 34.80 N ATOM 295 CA TYR A 34 24.031 -8.897 11.576 1.00 33.68 C ATOM 296 C TYR A 34 23.578 -10.288 11.155 1.00 37.71 C ATOM 297 O TYR A 34 24.112 -11.302 11.620 1.00 39.14 O ATOM 298 CB TYR A 34 22.992 -8.234 12.483 1.00 33.81 C ATOM 299 CG TYR A 34 22.827 -8.854 13.858 1.00 37.99 C ATOM 300 CD1 TYR A 34 22.045 -9.992 14.048 1.00 39.12 C ATOM 301 CD2 TYR A 34 23.430 -8.284 14.972 1.00 38.92 C ATOM 302 CE1 TYR A 34 21.883 -10.554 15.313 1.00 39.31 C ATOM 303 CE2 TYR A 34 23.270 -8.836 16.241 1.00 38.55 C ATOM 304 CZ TYR A 34 22.501 -9.971 16.398 1.00 40.25 C ATOM 305 OH TYR A 34 22.357 -10.515 17.647 1.00 43.26 O ATOM 306 HH TYR A 34 21.781 -11.318 17.591 1.00 0.00 H ATOM 307 H TYR A 34 23.736 -7.165 10.302 1.00 0.00 H ATOM 308 N GLN A 35 22.596 -10.351 10.256 1.00 39.65 N ATOM 309 CA GLN A 35 22.131 -11.641 9.762 1.00 43.92 C ATOM 310 C GLN A 35 23.241 -12.383 9.024 1.00 35.64 C ATOM 311 O GLN A 35 23.373 -13.603 9.163 1.00 44.65 O ATOM 312 CB GLN A 35 20.916 -11.438 8.856 1.00 45.82 C ATOM 313 CG GLN A 35 19.763 -10.687 9.523 1.00 46.08 C ATOM 314 CD GLN A 35 19.053 -11.518 10.578 1.00 52.66 C ATOM 315 OE1 GLN A 35 19.080 -12.747 10.533 1.00 54.95 O ATOM 316 NE2 GLN A 35 18.405 -10.848 11.528 1.00 51.76 N ATOM 317 HE22 GLN A 35 18.410 -9.808 11.526 1.00 0.00 H ATOM 318 HE21 GLN A 35 17.894 -11.364 12.272 1.00 0.00 H ATOM 319 H GLN A 35 22.159 -9.475 9.905 1.00 0.00 H ATOM 320 N PHE A 36 24.078 -11.655 8.280 1.00 37.36 N ATOM 321 CA PHE A 36 25.157 -12.294 7.527 1.00 36.22 C ATOM 322 C PHE A 36 26.181 -12.950 8.447 1.00 45.17 C ATOM 323 O PHE A 36 26.737 -14.004 8.116 1.00 41.29 O ATOM 324 CB PHE A 36 25.849 -11.262 6.634 1.00 38.83 C ATOM 325 CG PHE A 36 25.388 -11.284 5.211 1.00 45.70 C ATOM 326 CD1 PHE A 36 24.052 -11.472 4.902 1.00 46.90 C ATOM 327 CD2 PHE A 36 26.294 -11.101 4.178 1.00 44.63 C ATOM 328 CE1 PHE A 36 23.630 -11.487 3.591 1.00 49.33 C ATOM 329 CE2 PHE A 36 25.876 -11.115 2.862 1.00 43.52 C ATOM 330 CZ PHE A 36 24.540 -11.310 2.568 1.00 42.04 C ATOM 331 H PHE A 36 23.961 -10.623 8.236 1.00 0.00 H ATOM 332 N GLU A 37 26.462 -12.333 9.595 1.00 38.64 N ATOM 333 CA GLU A 37 27.459 -12.846 10.532 1.00 45.94 C ATOM 334 C GLU A 37 26.905 -13.889 11.500 1.00 48.81 C ATOM 335 O GLU A 37 27.486 -14.969 11.649 1.00 47.65 O ATOM 336 CB GLU A 37 28.077 -11.691 11.331 1.00 49.89 C ATOM 337 CG GLU A 37 28.772 -12.131 12.619 1.00 48.03 C ATOM 338 CD GLU A 37 30.000 -12.995 12.372 1.00 54.22 C ATOM 339 OE1 GLU A 37 30.657 -12.818 11.324 1.00 36.15 O ATOM 340 OE2 GLU A 37 30.305 -13.853 13.226 1.00 53.20 O ATOM 341 H GLU A 37 25.954 -11.457 9.832 1.00 0.00 H ATOM 342 N GLU A 38 25.809 -13.582 12.197 1.00 44.33 N ATOM 343 CA GLU A 38 25.350 -14.482 13.245 1.00 48.68 C ATOM 344 C GLU A 38 24.433 -15.591 12.746 1.00 53.03 C ATOM 345 O GLU A 38 24.472 -16.703 13.289 1.00 62.57 O ATOM 346 CB GLU A 38 24.637 -13.695 14.349 1.00 58.29 C ATOM 347 CG GLU A 38 25.578 -12.941 15.278 1.00 49.57 C ATOM 348 CD GLU A 38 25.018 -12.807 16.687 1.00 46.57 C ATOM 349 OE1 GLU A 38 24.036 -13.503 17.008 1.00 56.28 O ATOM 350 OE2 GLU A 38 25.564 -12.006 17.469 1.00 57.27 O ATOM 351 H GLU A 38 25.287 -12.706 11.993 1.00 0.00 H ATOM 352 N VAL A 39 23.619 -15.333 11.727 1.00 44.05 N ATOM 353 CA VAL A 39 22.603 -16.282 11.292 1.00 37.59 C ATOM 354 C VAL A 39 23.056 -17.090 10.081 1.00 39.53 C ATOM 355 O VAL A 39 22.843 -18.303 10.030 1.00 43.39 O ATOM 356 CB VAL A 39 21.280 -15.540 11.002 1.00 45.31 C ATOM 357 CG1 VAL A 39 20.216 -16.519 10.551 1.00 53.47 C ATOM 358 CG2 VAL A 39 20.818 -14.768 12.240 1.00 57.25 C ATOM 359 H VAL A 39 23.710 -14.427 11.225 1.00 0.00 H ATOM 360 N LEU A 40 23.686 -16.434 9.109 1.00 40.68 N ATOM 361 CA LEU A 40 24.058 -17.070 7.848 1.00 36.37 C ATOM 362 C LEU A 40 25.532 -17.437 7.764 1.00 41.49 C ATOM 363 O LEU A 40 25.887 -18.367 7.029 1.00 42.76 O ATOM 364 CB LEU A 40 23.711 -16.149 6.674 1.00 38.79 C ATOM 365 CG LEU A 40 22.263 -15.676 6.581 1.00 41.84 C ATOM 366 CD1 LEU A 40 22.086 -14.686 5.442 1.00 38.51 C ATOM 367 CD2 LEU A 40 21.311 -16.855 6.432 1.00 45.53 C ATOM 368 H LEU A 40 23.922 -15.431 9.253 1.00 0.00 H ATOM 369 N HIS A 41 26.397 -16.727 8.485 1.00 38.66 N ATOM 370 CA HIS A 41 27.832 -17.007 8.493 1.00 38.86 C ATOM 371 C HIS A 41 28.390 -16.986 7.073 1.00 39.89 C ATOM 372 O HIS A 41 29.090 -17.903 6.637 1.00 43.58 O ATOM 373 CB HIS A 41 28.120 -18.337 9.187 1.00 38.05 C ATOM 374 CG HIS A 41 27.477 -18.454 10.531 1.00 49.96 C ATOM 375 ND1 HIS A 41 27.934 -17.766 11.634 1.00 46.37 N ATOM 376 CD2 HIS A 41 26.399 -19.159 10.946 1.00 53.32 C ATOM 377 CE1 HIS A 41 27.172 -18.051 12.673 1.00 48.03 C ATOM 378 NE2 HIS A 41 26.232 -18.892 12.281 1.00 53.10 N ATOM 379 H HIS A 41 26.038 -15.942 9.065 1.00 0.00 H ATOM 380 N ILE A 42 28.063 -15.914 6.350 1.00 43.76 N ATOM 381 CA ILE A 42 28.429 -15.815 4.938 1.00 35.24 C ATOM 382 C ILE A 42 29.940 -15.923 4.765 1.00 40.54 C ATOM 383 O ILE A 42 30.430 -16.714 3.954 1.00 37.87 O ATOM 384 CB ILE A 42 27.880 -14.509 4.333 1.00 33.18 C ATOM 385 CG1 ILE A 42 26.355 -14.572 4.196 1.00 33.80 C ATOM 386 CG2 ILE A 42 28.529 -14.233 2.961 1.00 36.83 C ATOM 387 CD1 ILE A 42 25.868 -15.525 3.099 1.00 45.34 C ATOM 388 H ILE A 42 27.539 -15.135 6.798 1.00 0.00 H ATOM 389 N SER A 43 30.705 -15.139 5.532 1.00 40.56 N ATOM 390 CA SER A 43 32.152 -15.112 5.327 1.00 40.97 C ATOM 391 C SER A 43 32.766 -16.493 5.508 1.00 43.57 C ATOM 392 O SER A 43 33.628 -16.905 4.722 1.00 41.33 O ATOM 393 CB SER A 43 32.808 -14.106 6.274 1.00 36.66 C ATOM 394 OG SER A 43 32.121 -12.867 6.245 1.00 44.54 O ATOM 395 HG SER A 43 32.141 -12.501 5.325 1.00 0.00 H ATOM 396 H SER A 43 30.272 -14.550 6.272 1.00 0.00 H ATOM 397 N ASP A 44 32.338 -17.226 6.537 1.00 40.86 N ATOM 398 CA ASP A 44 32.901 -18.552 6.770 1.00 43.23 C ATOM 399 C ASP A 44 32.529 -19.522 5.653 1.00 43.38 C ATOM 400 O ASP A 44 33.342 -20.364 5.254 1.00 49.58 O ATOM 401 CB ASP A 44 32.433 -19.086 8.124 1.00 43.18 C ATOM 402 CG ASP A 44 33.024 -20.442 8.446 1.00 67.33 C ATOM 403 OD1 ASP A 44 34.268 -20.550 8.488 1.00 77.63 O ATOM 404 OD2 ASP A 44 32.249 -21.400 8.658 1.00 76.64 O ATOM 405 H ASP A 44 31.604 -16.853 7.172 1.00 0.00 H ATOM 406 N ASN A 45 31.305 -19.431 5.141 1.00 44.31 N ATOM 407 CA ASN A 45 30.897 -20.353 4.089 1.00 38.90 C ATOM 408 C ASN A 45 31.518 -20.005 2.741 1.00 38.87 C ATOM 409 O ASN A 45 31.745 -20.902 1.926 1.00 40.88 O ATOM 410 CB ASN A 45 29.375 -20.391 3.991 1.00 44.31 C ATOM 411 CG ASN A 45 28.757 -21.251 5.067 1.00 38.61 C ATOM 412 OD1 ASN A 45 28.723 -22.473 4.948 1.00 47.37 O ATOM 413 ND2 ASN A 45 28.293 -20.624 6.142 1.00 41.81 N ATOM 414 HD22 ASN A 45 28.342 -19.587 6.201 1.00 0.00 H ATOM 415 HD21 ASN A 45 27.881 -21.170 6.925 1.00 0.00 H ATOM 416 H ASN A 45 30.644 -18.707 5.489 1.00 0.00 H ATOM 417 N VAL A 46 31.797 -18.727 2.482 1.00 37.25 N ATOM 418 CA VAL A 46 32.586 -18.388 1.302 1.00 36.83 C ATOM 419 C VAL A 46 33.993 -18.950 1.435 1.00 41.71 C ATOM 420 O VAL A 46 34.527 -19.559 0.502 1.00 42.43 O ATOM 421 CB VAL A 46 32.604 -16.865 1.081 1.00 40.65 C ATOM 422 CG1 VAL A 46 33.544 -16.507 -0.064 1.00 46.95 C ATOM 423 CG2 VAL A 46 31.199 -16.354 0.818 1.00 35.95 C ATOM 424 H VAL A 46 31.455 -17.977 3.116 1.00 0.00 H ATOM 425 N LYS A 47 34.612 -18.769 2.605 1.00 43.93 N ATOM 426 CA LYS A 47 35.979 -19.238 2.800 1.00 47.21 C ATOM 427 C LYS A 47 36.092 -20.736 2.559 1.00 52.98 C ATOM 428 O LYS A 47 37.074 -21.206 1.971 1.00 56.18 O ATOM 429 CB LYS A 47 36.455 -18.886 4.211 1.00 49.72 C ATOM 430 CG LYS A 47 37.853 -19.377 4.547 1.00 52.41 C ATOM 431 CD LYS A 47 38.150 -19.181 6.027 1.00 66.05 C ATOM 432 CE LYS A 47 39.634 -19.324 6.319 1.00 75.20 C ATOM 433 NZ LYS A 47 40.419 -18.236 5.676 1.00 77.80 N ATOM 434 HZ1 LYS A 47 40.279 -18.271 4.646 1.00 0.00 H ATOM 435 HZ2 LYS A 47 40.097 -17.316 6.040 1.00 0.00 H ATOM 436 HZ3 LYS A 47 41.428 -18.362 5.895 1.00 0.00 H ATOM 437 H LYS A 47 34.115 -18.290 3.383 1.00 0.00 H ATOM 438 N LYS A 48 35.094 -21.503 3.000 1.00 52.09 N ATOM 439 CA LYS A 48 35.152 -22.954 2.873 1.00 57.82 C ATOM 440 C LYS A 48 35.027 -23.419 1.429 1.00 56.12 C ATOM 441 O LYS A 48 35.309 -24.586 1.141 1.00 61.06 O ATOM 442 CB LYS A 48 34.055 -23.597 3.726 1.00 62.89 C ATOM 443 H LYS A 48 34.263 -21.060 3.441 1.00 0.00 H ATOM 444 N LYS A 49 34.612 -22.544 0.519 1.00 50.74 N ATOM 445 CA LYS A 49 34.467 -22.897 -0.884 1.00 48.40 C ATOM 446 C LYS A 49 35.589 -22.349 -1.758 1.00 48.15 C ATOM 447 O LYS A 49 35.584 -22.587 -2.967 1.00 46.80 O ATOM 448 CB LYS A 49 33.112 -22.411 -1.414 1.00 47.27 C ATOM 449 CG LYS A 49 31.902 -23.196 -0.899 1.00 44.41 C ATOM 450 CD LYS A 49 31.755 -24.533 -1.608 1.00 50.15 C ATOM 451 CE LYS A 49 30.494 -25.283 -1.173 1.00 55.53 C ATOM 452 NZ LYS A 49 29.215 -24.610 -1.561 1.00 48.36 N ATOM 453 HZ1 LYS A 49 29.175 -23.667 -1.125 1.00 0.00 H ATOM 454 HZ2 LYS A 49 29.174 -24.517 -2.596 1.00 0.00 H ATOM 455 HZ3 LYS A 49 28.411 -25.180 -1.230 1.00 0.00 H ATOM 456 H LYS A 49 34.383 -21.575 0.820 1.00 0.00 H ATOM 457 N LEU A 50 36.541 -21.628 -1.187 1.00 50.60 N ATOM 458 CA LEU A 50 37.676 -21.112 -1.938 1.00 54.41 C ATOM 459 C LEU A 50 38.921 -21.947 -1.677 1.00 51.88 C ATOM 460 O LEU A 50 39.026 -22.620 -0.646 1.00 54.21 O ATOM 461 CB LEU A 50 37.942 -19.651 -1.556 1.00 48.46 C ATOM 462 CG LEU A 50 36.786 -18.703 -1.859 1.00 52.76 C ATOM 463 CD1 LEU A 50 37.105 -17.299 -1.379 1.00 50.59 C ATOM 464 CD2 LEU A 50 36.489 -18.716 -3.349 1.00 61.07 C ATOM 465 H LEU A 50 36.476 -21.424 -0.169 1.00 0.00 H ATOM 466 N PRO A 51 39.891 -21.928 -2.595 1.00 56.48 N ATOM 467 CA PRO A 51 41.149 -22.649 -2.353 1.00 64.24 C ATOM 468 C PRO A 51 41.815 -22.205 -1.056 1.00 72.11 C ATOM 469 O PRO A 51 41.777 -21.030 -0.683 1.00 69.06 O ATOM 470 CB PRO A 51 42.003 -22.291 -3.575 1.00 58.70 C ATOM 471 CG PRO A 51 41.010 -21.979 -4.641 1.00 55.25 C ATOM 472 CD PRO A 51 39.843 -21.339 -3.946 1.00 50.35 C ATOM 473 N GLU A 52 42.437 -23.165 -0.372 1.00 76.71 N ATOM 474 CA GLU A 52 43.114 -22.870 0.884 1.00 78.22 C ATOM 475 C GLU A 52 44.175 -21.793 0.684 1.00 78.29 C ATOM 476 O GLU A 52 44.929 -21.812 -0.292 1.00 86.72 O ATOM 477 CB GLU A 52 43.752 -24.139 1.453 1.00 81.37 C ATOM 478 H GLU A 52 42.439 -24.138 -0.740 1.00 0.00 H ATOM 479 N GLY A 53 44.229 -20.848 1.622 1.00 77.93 N ATOM 480 CA GLY A 53 45.183 -19.763 1.565 1.00 85.14 C ATOM 481 C GLY A 53 44.713 -18.526 0.831 1.00 88.55 C ATOM 482 O GLY A 53 45.350 -17.472 0.961 1.00 86.80 O ATOM 483 H GLY A 53 43.564 -20.892 2.420 1.00 0.00 H ATOM 484 N VAL A 54 43.624 -18.615 0.062 1.00 90.13 N ATOM 485 CA VAL A 54 43.125 -17.448 -0.655 1.00 91.86 C ATOM 486 C VAL A 54 42.785 -16.343 0.333 1.00 90.32 C ATOM 487 O VAL A 54 42.253 -16.592 1.423 1.00 92.09 O ATOM 488 CB VAL A 54 41.906 -17.818 -1.516 1.00 83.82 C ATOM 489 CG1 VAL A 54 41.078 -16.579 -1.817 1.00 73.15 C ATOM 490 CG2 VAL A 54 42.360 -18.483 -2.807 1.00 77.49 C ATOM 491 H VAL A 54 43.128 -19.525 -0.026 1.00 0.00 H ATOM 492 N LYS A 55 43.089 -15.106 -0.052 1.00 83.10 N ATOM 493 CA LYS A 55 42.928 -13.964 0.838 1.00 68.00 C ATOM 494 C LYS A 55 41.487 -13.470 0.806 1.00 59.49 C ATOM 495 O LYS A 55 40.968 -13.098 -0.254 1.00 48.04 O ATOM 496 CB LYS A 55 43.889 -12.843 0.448 1.00 58.26 C ATOM 497 H LYS A 55 43.451 -14.950 -1.014 1.00 0.00 H ATOM 498 N MET A 56 40.839 -13.475 1.965 1.00 53.05 N ATOM 499 CA MET A 56 39.550 -12.829 2.149 1.00 49.64 C ATOM 500 C MET A 56 39.762 -11.594 3.010 1.00 42.01 C ATOM 501 O MET A 56 40.451 -11.658 4.034 1.00 46.67 O ATOM 502 CB MET A 56 38.539 -13.775 2.799 1.00 52.44 C ATOM 503 CG MET A 56 38.286 -15.046 2.000 1.00 56.27 C ATOM 504 SD MET A 56 36.886 -15.995 2.626 1.00 59.22 S ATOM 505 CE MET A 56 35.626 -14.721 2.696 1.00 43.45 C ATOM 506 H MET A 56 41.272 -13.962 2.776 1.00 0.00 H ATOM 507 N THR A 57 39.189 -10.473 2.584 1.00 44.36 N ATOM 508 CA THR A 57 39.343 -9.203 3.279 1.00 41.95 C ATOM 509 C THR A 57 37.968 -8.673 3.663 1.00 34.73 C ATOM 510 O THR A 57 37.036 -8.693 2.854 1.00 39.12 O ATOM 511 CB THR A 57 40.081 -8.182 2.407 1.00 45.36 C ATOM 512 OG1 THR A 57 41.371 -8.701 2.050 1.00 45.21 O ATOM 513 CG2 THR A 57 40.251 -6.865 3.151 1.00 41.81 C ATOM 514 HG1 THR A 57 41.847 -8.040 1.487 1.00 0.00 H ATOM 515 H THR A 57 38.609 -10.504 1.722 1.00 0.00 H ATOM 516 N LYS A 58 37.842 -8.206 4.902 1.00 35.70 N ATOM 517 CA LYS A 58 36.584 -7.672 5.404 1.00 32.95 C ATOM 518 C LYS A 58 36.830 -6.304 6.023 1.00 27.68 C ATOM 519 O LYS A 58 37.683 -6.160 6.904 1.00 32.74 O ATOM 520 CB LYS A 58 35.947 -8.621 6.428 1.00 31.48 C ATOM 521 CG LYS A 58 34.712 -8.043 7.101 1.00 37.71 C ATOM 522 CD LYS A 58 33.578 -9.067 7.174 1.00 44.04 C ATOM 523 CE LYS A 58 33.905 -10.209 8.108 1.00 54.56 C ATOM 524 NZ LYS A 58 32.727 -11.111 8.301 1.00 44.83 N ATOM 525 HZ1 LYS A 58 31.939 -10.568 8.707 1.00 0.00 H ATOM 526 HZ2 LYS A 58 32.441 -11.507 7.383 1.00 0.00 H ATOM 527 HZ3 LYS A 58 32.986 -11.884 8.947 1.00 0.00 H ATOM 528 H LYS A 58 38.669 -8.223 5.533 1.00 0.00 H ATOM 529 N TYR A 59 36.093 -5.298 5.554 1.00 28.04 N ATOM 530 CA TYR A 59 36.307 -3.928 6.002 1.00 27.69 C ATOM 531 C TYR A 59 34.996 -3.345 6.511 1.00 27.66 C ATOM 532 O TYR A 59 33.914 -3.692 6.030 1.00 28.63 O ATOM 533 CB TYR A 59 36.854 -3.037 4.873 1.00 29.22 C ATOM 534 CG TYR A 59 38.304 -3.245 4.520 1.00 32.40 C ATOM 535 CD1 TYR A 59 39.213 -3.774 5.433 1.00 32.15 C ATOM 536 CD2 TYR A 59 38.776 -2.891 3.257 1.00 33.96 C ATOM 537 CE1 TYR A 59 40.553 -3.948 5.086 1.00 41.52 C ATOM 538 CE2 TYR A 59 40.095 -3.051 2.920 1.00 38.65 C ATOM 539 CZ TYR A 59 40.979 -3.585 3.828 1.00 41.14 C ATOM 540 OH TYR A 59 42.299 -3.746 3.473 1.00 42.07 O ATOM 541 HH TYR A 59 42.798 -4.139 4.232 1.00 0.00 H ATOM 542 H TYR A 59 35.350 -5.495 4.854 1.00 0.00 H ATOM 543 N HIS A 60 35.110 -2.463 7.501 1.00 31.21 N ATOM 544 CA HIS A 60 33.987 -1.712 8.048 1.00 29.52 C ATOM 545 C HIS A 60 33.807 -0.414 7.263 1.00 31.78 C ATOM 546 O HIS A 60 34.721 0.054 6.587 1.00 33.22 O ATOM 547 CB HIS A 60 34.228 -1.417 9.530 1.00 27.37 C ATOM 548 CG HIS A 60 32.987 -1.040 10.289 1.00 23.78 C ATOM 549 ND1 HIS A 60 32.633 0.271 10.529 1.00 27.02 N ATOM 550 CD2 HIS A 60 32.017 -1.803 10.847 1.00 28.81 C ATOM 551 CE1 HIS A 60 31.501 0.297 11.219 1.00 25.31 C ATOM 552 NE2 HIS A 60 31.105 -0.946 11.419 1.00 26.32 N ATOM 553 H HIS A 60 36.053 -2.300 7.907 1.00 0.00 H ATOM 554 N VAL A 61 32.607 0.163 7.348 1.00 27.52 N ATOM 555 CA VAL A 61 32.280 1.369 6.595 1.00 32.15 C ATOM 556 C VAL A 61 31.804 2.451 7.557 1.00 33.84 C ATOM 557 O VAL A 61 31.358 2.177 8.677 1.00 31.31 O ATOM 558 CB VAL A 61 31.216 1.112 5.506 1.00 30.40 C ATOM 559 CG1 VAL A 61 31.687 0.023 4.550 1.00 28.25 C ATOM 560 CG2 VAL A 61 29.885 0.730 6.135 1.00 29.73 C ATOM 561 H VAL A 61 31.886 -0.258 7.967 1.00 0.00 H ATOM 562 N ASN A 62 31.895 3.703 7.096 1.00 33.38 N ATOM 563 CA ASN A 62 31.555 4.845 7.939 1.00 34.72 C ATOM 564 C ASN A 62 30.122 5.344 7.769 1.00 34.06 C ATOM 565 O ASN A 62 29.638 6.068 8.650 1.00 44.57 O ATOM 566 CB ASN A 62 32.495 6.029 7.663 1.00 28.31 C ATOM 567 CG ASN A 62 33.917 5.783 8.135 1.00 32.96 C ATOM 568 OD1 ASN A 62 34.159 4.961 9.016 1.00 35.98 O ATOM 569 ND2 ASN A 62 34.869 6.514 7.552 1.00 34.68 N ATOM 570 HD22 ASN A 62 34.618 7.198 6.810 1.00 0.00 H ATOM 571 HD21 ASN A 62 35.862 6.399 7.840 1.00 0.00 H ATOM 572 H ASN A 62 32.214 3.866 6.120 1.00 0.00 H ATOM 573 N PHE A 63 29.435 4.997 6.678 1.00 33.27 N ATOM 574 CA PHE A 63 28.242 5.757 6.312 1.00 42.67 C ATOM 575 C PHE A 63 26.997 5.380 7.114 1.00 37.68 C ATOM 576 O PHE A 63 25.925 5.933 6.845 1.00 47.11 O ATOM 577 CB PHE A 63 27.952 5.644 4.806 1.00 38.32 C ATOM 578 CG PHE A 63 27.785 4.228 4.295 1.00 41.96 C ATOM 579 CD1 PHE A 63 26.569 3.571 4.401 1.00 40.21 C ATOM 580 CD2 PHE A 63 28.833 3.578 3.669 1.00 46.60 C ATOM 581 CE1 PHE A 63 26.414 2.286 3.918 1.00 37.54 C ATOM 582 CE2 PHE A 63 28.681 2.292 3.184 1.00 41.64 C ATOM 583 CZ PHE A 63 27.469 1.646 3.311 1.00 44.62 C ATOM 584 H PHE A 63 29.746 4.194 6.095 1.00 0.00 H ATOM 585 N MET A 64 27.103 4.471 8.079 1.00 32.87 N ATOM 586 CA MET A 64 26.011 4.187 9.005 1.00 35.60 C ATOM 587 C MET A 64 26.452 4.490 10.427 1.00 36.90 C ATOM 588 O MET A 64 27.575 4.171 10.821 1.00 34.27 O ATOM 589 CB MET A 64 25.558 2.729 8.918 1.00 33.69 C ATOM 590 CG MET A 64 25.086 2.291 7.550 1.00 37.40 C ATOM 591 SD MET A 64 24.412 0.619 7.603 1.00 41.92 S ATOM 592 CE MET A 64 22.898 0.904 8.526 1.00 38.35 C ATOM 593 H MET A 64 27.994 3.944 8.177 1.00 0.00 H ATOM 594 N GLY A 65 25.563 5.089 11.212 1.00 38.20 N ATOM 595 CA GLY A 65 25.855 5.312 12.611 1.00 31.08 C ATOM 596 C GLY A 65 26.599 6.585 12.932 1.00 30.42 C ATOM 597 O GLY A 65 27.050 6.747 14.071 1.00 35.09 O ATOM 598 H GLY A 65 24.652 5.399 10.818 1.00 0.00 H ATOM 599 N GLY A 66 26.740 7.500 11.974 1.00 32.50 N ATOM 600 CA GLY A 66 27.364 8.779 12.256 1.00 35.46 C ATOM 601 C GLY A 66 28.661 8.682 13.035 1.00 36.00 C ATOM 602 O GLY A 66 29.593 7.986 12.625 1.00 32.20 O ATOM 603 H GLY A 66 26.399 7.295 11.013 1.00 0.00 H ATOM 604 N ASP A 67 28.725 9.367 14.178 1.00 35.12 N ATOM 605 CA ASP A 67 29.970 9.425 14.937 1.00 30.97 C ATOM 606 C ASP A 67 30.406 8.040 15.395 1.00 33.05 C ATOM 607 O ASP A 67 31.576 7.662 15.252 1.00 30.73 O ATOM 608 CB ASP A 67 29.804 10.366 16.131 1.00 39.81 C ATOM 609 CG ASP A 67 31.104 11.013 16.536 1.00 50.38 C ATOM 610 OD1 ASP A 67 31.550 11.935 15.818 1.00 40.97 O ATOM 611 OD2 ASP A 67 31.686 10.595 17.561 1.00 67.31 O ATOM 612 H ASP A 67 27.882 9.863 14.531 1.00 0.00 H ATOM 613 N LEU A 68 29.475 7.263 15.953 1.00 27.87 N ATOM 614 CA LEU A 68 29.829 5.929 16.425 1.00 27.34 C ATOM 615 C LEU A 68 30.186 4.997 15.269 1.00 28.77 C ATOM 616 O LEU A 68 30.979 4.069 15.449 1.00 28.96 O ATOM 617 CB LEU A 68 28.673 5.365 17.252 1.00 32.29 C ATOM 618 CG LEU A 68 28.894 4.225 18.244 1.00 38.94 C ATOM 619 CD1 LEU A 68 30.025 4.529 19.205 1.00 32.52 C ATOM 620 CD2 LEU A 68 27.595 4.021 19.007 1.00 39.21 C ATOM 621 H LEU A 68 28.499 7.608 16.051 1.00 0.00 H ATOM 622 N GLY A 69 29.616 5.218 14.082 1.00 29.37 N ATOM 623 CA GLY A 69 30.021 4.421 12.933 1.00 29.00 C ATOM 624 C GLY A 69 31.483 4.622 12.585 1.00 28.12 C ATOM 625 O GLY A 69 32.197 3.665 12.275 1.00 28.76 O ATOM 626 H GLY A 69 28.888 5.954 13.979 1.00 0.00 H ATOM 627 N LYS A 70 31.957 5.866 12.660 1.00 28.47 N ATOM 628 CA LYS A 70 33.368 6.131 12.409 1.00 32.70 C ATOM 629 C LYS A 70 34.246 5.552 13.514 1.00 34.24 C ATOM 630 O LYS A 70 35.348 5.055 13.244 1.00 30.41 O ATOM 631 CB LYS A 70 33.594 7.638 12.259 1.00 43.19 C ATOM 632 CG LYS A 70 34.364 8.046 11.006 1.00 42.86 C ATOM 633 CD LYS A 70 34.476 9.563 10.898 1.00 41.61 C ATOM 634 CE LYS A 70 35.333 10.004 9.715 1.00 56.22 C ATOM 635 NZ LYS A 70 36.741 9.542 9.812 1.00 55.00 N ATOM 636 HZ1 LYS A 70 37.173 9.928 10.676 1.00 0.00 H ATOM 637 HZ2 LYS A 70 36.762 8.503 9.847 1.00 0.00 H ATOM 638 HZ3 LYS A 70 37.271 9.873 8.981 1.00 0.00 H ATOM 639 H LYS A 70 31.317 6.650 12.899 1.00 0.00 H ATOM 640 N ASP A 71 33.786 5.614 14.767 1.00 26.95 N ATOM 641 CA ASP A 71 34.515 4.946 15.842 1.00 26.82 C ATOM 642 C ASP A 71 34.621 3.452 15.584 1.00 25.83 C ATOM 643 O ASP A 71 35.651 2.836 15.882 1.00 27.19 O ATOM 644 CB ASP A 71 33.836 5.183 17.198 1.00 26.47 C ATOM 645 CG ASP A 71 34.235 6.493 17.842 1.00 33.61 C ATOM 646 OD1 ASP A 71 33.344 7.165 18.401 1.00 33.89 O ATOM 647 OD2 ASP A 71 35.427 6.870 17.780 1.00 33.65 O ATOM 648 H ASP A 71 32.911 6.136 14.976 1.00 0.00 H ATOM 649 N LEU A 72 33.550 2.839 15.065 1.00 28.05 N ATOM 650 CA LEU A 72 33.585 1.402 14.834 1.00 23.73 C ATOM 651 C LEU A 72 34.521 1.035 13.695 1.00 26.94 C ATOM 652 O LEU A 72 35.106 -0.048 13.718 1.00 26.96 O ATOM 653 CB LEU A 72 32.179 0.865 14.566 1.00 25.51 C ATOM 654 CG LEU A 72 31.343 0.757 15.848 1.00 25.20 C ATOM 655 CD1 LEU A 72 29.856 0.694 15.524 1.00 27.30 C ATOM 656 CD2 LEU A 72 31.777 -0.455 16.659 1.00 24.59 C ATOM 657 H LEU A 72 32.698 3.386 14.828 1.00 0.00 H ATOM 658 N THR A 73 34.668 1.904 12.692 1.00 25.58 N ATOM 659 CA THR A 73 35.673 1.638 11.662 1.00 25.20 C ATOM 660 C THR A 73 37.075 1.675 12.255 1.00 29.13 C ATOM 661 O THR A 73 37.932 0.856 11.896 1.00 26.91 O ATOM 662 CB THR A 73 35.544 2.642 10.516 1.00 26.74 C ATOM 663 OG1 THR A 73 34.232 2.553 9.941 1.00 26.60 O ATOM 664 CG2 THR A 73 36.592 2.355 9.437 1.00 31.89 C ATOM 665 HG1 THR A 73 34.153 3.204 9.200 1.00 0.00 H ATOM 666 H THR A 73 34.077 2.758 12.643 1.00 0.00 H ATOM 667 N GLN A 74 37.324 2.598 13.189 1.00 29.30 N ATOM 668 CA GLN A 74 38.626 2.627 13.846 1.00 29.19 C ATOM 669 C GLN A 74 38.814 1.416 14.758 1.00 26.77 C ATOM 670 O GLN A 74 39.913 0.854 14.832 1.00 28.50 O ATOM 671 CB GLN A 74 38.798 3.936 14.624 1.00 31.18 C ATOM 672 CG GLN A 74 40.217 4.169 15.156 1.00 30.76 C ATOM 673 CD GLN A 74 40.470 5.605 15.578 1.00 31.88 C ATOM 674 OE1 GLN A 74 39.683 6.511 15.277 1.00 30.63 O ATOM 675 NE2 GLN A 74 41.573 5.824 16.277 1.00 34.00 N ATOM 676 HE22 GLN A 74 42.208 5.033 16.508 1.00 0.00 H ATOM 677 HE21 GLN A 74 41.805 6.787 16.595 1.00 0.00 H ATOM 678 H GLN A 74 36.593 3.292 13.446 1.00 0.00 H ATOM 679 N ALA A 75 37.754 0.992 15.462 1.00 27.41 N ATOM 680 CA ALA A 75 37.868 -0.200 16.298 1.00 25.69 C ATOM 681 C ALA A 75 38.084 -1.453 15.456 1.00 25.74 C ATOM 682 O ALA A 75 38.796 -2.374 15.877 1.00 28.29 O ATOM 683 CB ALA A 75 36.619 -0.355 17.175 1.00 26.45 C ATOM 684 H ALA A 75 36.854 1.510 15.413 1.00 0.00 H ATOM 685 N TRP A 76 37.454 -1.527 14.279 1.00 25.51 N ATOM 686 CA TRP A 76 37.718 -2.656 13.398 1.00 26.07 C ATOM 687 C TRP A 76 39.160 -2.625 12.903 1.00 30.69 C ATOM 688 O TRP A 76 39.791 -3.675 12.744 1.00 27.92 O ATOM 689 CB TRP A 76 36.739 -2.657 12.220 1.00 26.38 C ATOM 690 CG TRP A 76 36.801 -3.927 11.420 1.00 27.46 C ATOM 691 CD1 TRP A 76 37.236 -4.069 10.131 1.00 33.24 C ATOM 692 CD2 TRP A 76 36.433 -5.239 11.866 1.00 27.33 C ATOM 693 NE1 TRP A 76 37.156 -5.388 9.747 1.00 28.24 N ATOM 694 CE2 TRP A 76 36.671 -6.126 10.797 1.00 28.96 C ATOM 695 CE3 TRP A 76 35.941 -5.750 13.074 1.00 30.21 C ATOM 696 CZ2 TRP A 76 36.418 -7.496 10.893 1.00 34.44 C ATOM 697 CZ3 TRP A 76 35.686 -7.107 13.167 1.00 34.71 C ATOM 698 CH2 TRP A 76 35.922 -7.966 12.088 1.00 32.84 C ATOM 699 HE1 TRP A 76 37.420 -5.764 8.814 1.00 0.00 H ATOM 700 H TRP A 76 36.782 -0.786 13.995 1.00 0.00 H ATOM 701 N ALA A 77 39.705 -1.429 12.680 1.00 27.78 N ATOM 702 CA ALA A 77 41.130 -1.322 12.378 1.00 28.11 C ATOM 703 C ALA A 77 41.971 -1.835 13.543 1.00 29.76 C ATOM 704 O ALA A 77 42.966 -2.536 13.335 1.00 30.61 O ATOM 705 CB ALA A 77 41.492 0.123 12.036 1.00 32.64 C ATOM 706 H ALA A 77 39.116 -0.573 12.721 1.00 0.00 H ATOM 707 N VAL A 78 41.570 -1.522 14.782 1.00 28.78 N ATOM 708 CA VAL A 78 42.255 -2.090 15.942 1.00 31.43 C ATOM 709 C VAL A 78 42.138 -3.609 15.934 1.00 32.45 C ATOM 710 O VAL A 78 43.115 -4.327 16.177 1.00 32.36 O ATOM 711 CB VAL A 78 41.694 -1.496 17.251 1.00 26.45 C ATOM 712 CG1 VAL A 78 42.260 -2.251 18.453 1.00 32.70 C ATOM 713 CG2 VAL A 78 42.044 -0.030 17.343 1.00 32.31 C ATOM 714 H VAL A 78 40.769 -0.873 14.919 1.00 0.00 H ATOM 715 N ALA A 79 40.930 -4.121 15.671 1.00 31.21 N ATOM 716 CA ALA A 79 40.728 -5.567 15.641 1.00 28.98 C ATOM 717 C ALA A 79 41.637 -6.223 14.611 1.00 31.84 C ATOM 718 O ALA A 79 42.266 -7.252 14.882 1.00 34.27 O ATOM 719 CB ALA A 79 39.265 -5.892 15.340 1.00 31.54 C ATOM 720 H ALA A 79 40.129 -3.484 15.487 1.00 0.00 H ATOM 721 N MET A 80 41.695 -5.655 13.408 1.00 31.23 N ATOM 722 CA MET A 80 42.553 -6.231 12.375 1.00 33.84 C ATOM 723 C MET A 80 44.022 -6.155 12.775 1.00 39.48 C ATOM 724 O MET A 80 44.775 -7.118 12.587 1.00 38.81 O ATOM 725 CB MET A 80 42.318 -5.521 11.042 1.00 40.55 C ATOM 726 CG MET A 80 41.009 -5.871 10.376 1.00 33.91 C ATOM 727 SD MET A 80 40.837 -5.172 8.722 1.00 36.76 S ATOM 728 CE MET A 80 40.746 -3.430 9.080 1.00 31.20 C ATOM 729 H MET A 80 41.132 -4.805 13.204 1.00 0.00 H ATOM 730 N ALA A 81 44.449 -5.020 13.328 1.00 37.68 N ATOM 731 CA ALA A 81 45.852 -4.867 13.701 1.00 38.56 C ATOM 732 C ALA A 81 46.265 -5.909 14.733 1.00 39.12 C ATOM 733 O ALA A 81 47.378 -6.446 14.674 1.00 41.94 O ATOM 734 CB ALA A 81 46.105 -3.453 14.229 1.00 38.27 C ATOM 735 H ALA A 81 43.781 -4.241 13.494 1.00 0.00 H ATOM 736 N LEU A 82 45.376 -6.216 15.680 1.00 38.27 N ATOM 737 CA LEU A 82 45.676 -7.134 16.770 1.00 39.95 C ATOM 738 C LEU A 82 45.351 -8.582 16.443 1.00 35.82 C ATOM 739 O LEU A 82 45.734 -9.471 17.211 1.00 41.75 O ATOM 740 CB LEU A 82 44.903 -6.732 18.034 1.00 38.34 C ATOM 741 CG LEU A 82 45.212 -5.378 18.675 1.00 41.51 C ATOM 742 CD1 LEU A 82 44.373 -5.181 19.929 1.00 42.06 C ATOM 743 CD2 LEU A 82 46.695 -5.252 18.988 1.00 42.52 C ATOM 744 H LEU A 82 44.432 -5.782 15.638 1.00 0.00 H ATOM 745 N GLY A 83 44.648 -8.840 15.344 1.00 36.27 N ATOM 746 CA GLY A 83 44.269 -10.196 15.000 1.00 40.34 C ATOM 747 C GLY A 83 43.154 -10.759 15.850 1.00 41.90 C ATOM 748 O GLY A 83 43.085 -11.975 16.041 1.00 43.61 O ATOM 749 H GLY A 83 44.366 -8.056 14.721 1.00 0.00 H ATOM 750 N VAL A 84 42.276 -9.907 16.365 1.00 35.22 N ATOM 751 CA VAL A 84 41.235 -10.336 17.295 1.00 32.53 C ATOM 752 C VAL A 84 39.836 -10.187 16.694 1.00 37.31 C ATOM 753 O VAL A 84 38.855 -10.101 17.434 1.00 38.83 O ATOM 754 CB VAL A 84 41.340 -9.594 18.639 1.00 33.79 C ATOM 755 CG1 VAL A 84 42.679 -9.852 19.295 1.00 35.06 C ATOM 756 CG2 VAL A 84 41.091 -8.101 18.457 1.00 32.37 C ATOM 757 H VAL A 84 42.331 -8.903 16.098 1.00 0.00 H ATOM 758 N GLU A 85 39.723 -10.169 15.363 1.00 34.93 N ATOM 759 CA GLU A 85 38.412 -10.055 14.728 1.00 35.94 C ATOM 760 C GLU A 85 37.443 -11.105 15.258 1.00 37.40 C ATOM 761 O GLU A 85 36.305 -10.792 15.629 1.00 41.76 O ATOM 762 CB GLU A 85 38.549 -10.187 13.209 1.00 34.52 C ATOM 763 CG GLU A 85 39.440 -9.136 12.562 1.00 36.28 C ATOM 764 CD GLU A 85 40.839 -9.644 12.285 1.00 41.34 C ATOM 765 OE1 GLU A 85 41.407 -10.353 13.142 1.00 38.56 O ATOM 766 OE2 GLU A 85 41.366 -9.342 11.196 1.00 39.28 O ATOM 767 H GLU A 85 40.577 -10.237 14.773 1.00 0.00 H ATOM 768 N ASP A 86 37.878 -12.364 15.297 1.00 37.52 N ATOM 769 CA ASP A 86 37.005 -13.445 15.733 1.00 35.29 C ATOM 770 C ASP A 86 36.600 -13.331 17.195 1.00 37.92 C ATOM 771 O ASP A 86 35.654 -14.006 17.604 1.00 40.66 O ATOM 772 CB ASP A 86 37.678 -14.793 15.489 1.00 47.07 C ATOM 773 CG ASP A 86 37.798 -15.120 14.011 1.00 47.65 C ATOM 774 OD1 ASP A 86 37.234 -14.360 13.191 1.00 48.82 O ATOM 775 OD2 ASP A 86 38.451 -16.126 13.672 1.00 51.31 O ATOM 776 H ASP A 86 38.855 -12.578 15.012 1.00 0.00 H ATOM 777 N LYS A 87 37.286 -12.512 17.987 1.00 36.93 N ATOM 778 CA LYS A 87 36.932 -12.356 19.391 1.00 37.12 C ATOM 779 C LYS A 87 35.924 -11.244 19.634 1.00 38.44 C ATOM 780 O LYS A 87 35.204 -11.289 20.643 1.00 40.54 O ATOM 781 CB LYS A 87 38.187 -12.092 20.233 1.00 34.22 C ATOM 782 CG LYS A 87 39.099 -13.306 20.357 1.00 38.24 C ATOM 783 CD LYS A 87 40.372 -12.993 21.128 1.00 43.43 C ATOM 784 CE LYS A 87 41.263 -14.224 21.226 1.00 55.05 C ATOM 785 NZ LYS A 87 42.592 -13.913 21.823 1.00 57.72 N ATOM 786 HZ1 LYS A 87 43.079 -13.208 21.234 1.00 0.00 H ATOM 787 HZ2 LYS A 87 42.460 -13.533 22.782 1.00 0.00 H ATOM 788 HZ3 LYS A 87 43.162 -14.782 21.869 1.00 0.00 H ATOM 789 H LYS A 87 38.087 -11.975 17.598 1.00 0.00 H ATOM 790 N VAL A 88 35.846 -10.255 18.745 1.00 35.72 N ATOM 791 CA VAL A 88 35.030 -9.071 18.990 1.00 28.81 C ATOM 792 C VAL A 88 33.869 -8.920 18.020 1.00 30.95 C ATOM 793 O VAL A 88 32.997 -8.075 18.264 1.00 31.72 O ATOM 794 CB VAL A 88 35.878 -7.779 18.989 1.00 28.79 C ATOM 795 CG1 VAL A 88 36.932 -7.834 20.067 1.00 30.25 C ATOM 796 CG2 VAL A 88 36.519 -7.559 17.612 1.00 26.62 C ATOM 797 H VAL A 88 36.379 -10.329 17.855 1.00 0.00 H ATOM 798 N THR A 89 33.808 -9.690 16.929 1.00 30.33 N ATOM 799 CA THR A 89 32.742 -9.462 15.956 1.00 30.43 C ATOM 800 C THR A 89 31.367 -9.679 16.583 1.00 29.63 C ATOM 801 O THR A 89 30.463 -8.852 16.430 1.00 31.26 O ATOM 802 CB THR A 89 32.917 -10.361 14.738 1.00 32.47 C ATOM 803 OG1 THR A 89 34.135 -10.010 14.058 1.00 35.86 O ATOM 804 CG2 THR A 89 31.749 -10.172 13.778 1.00 30.31 C ATOM 805 HG1 THR A 89 34.902 -10.131 14.673 1.00 0.00 H ATOM 806 H THR A 89 34.510 -10.442 16.775 1.00 0.00 H ATOM 807 N VAL A 90 31.191 -10.785 17.293 1.00 29.32 N ATOM 808 CA VAL A 90 29.881 -11.104 17.860 1.00 28.19 C ATOM 809 C VAL A 90 29.509 -10.076 18.926 1.00 31.28 C ATOM 810 O VAL A 90 28.423 -9.481 18.854 1.00 34.40 O ATOM 811 CB VAL A 90 29.858 -12.540 18.404 1.00 30.98 C ATOM 812 CG1 VAL A 90 28.594 -12.784 19.223 1.00 33.98 C ATOM 813 CG2 VAL A 90 29.932 -13.535 17.243 1.00 33.98 C ATOM 814 H VAL A 90 31.991 -11.431 17.448 1.00 0.00 H ATOM 815 N PRO A 91 30.351 -9.835 19.930 1.00 32.60 N ATOM 816 CA PRO A 91 29.962 -8.865 20.971 1.00 31.52 C ATOM 817 C PRO A 91 29.782 -7.454 20.446 1.00 27.11 C ATOM 818 O PRO A 91 28.989 -6.692 21.012 1.00 29.10 O ATOM 819 CB PRO A 91 31.103 -8.958 21.997 1.00 33.80 C ATOM 820 CG PRO A 91 32.215 -9.691 21.303 1.00 37.30 C ATOM 821 CD PRO A 91 31.562 -10.589 20.293 1.00 33.11 C ATOM 822 N LEU A 92 30.484 -7.065 19.373 1.00 27.53 N ATOM 823 CA LEU A 92 30.217 -5.750 18.801 1.00 24.53 C ATOM 824 C LEU A 92 28.866 -5.720 18.097 1.00 28.54 C ATOM 825 O LEU A 92 28.100 -4.767 18.262 1.00 28.98 O ATOM 826 CB LEU A 92 31.347 -5.338 17.846 1.00 23.26 C ATOM 827 CG LEU A 92 32.642 -4.974 18.570 1.00 22.97 C ATOM 828 CD1 LEU A 92 33.801 -4.819 17.558 1.00 26.46 C ATOM 829 CD2 LEU A 92 32.495 -3.718 19.431 1.00 26.80 C ATOM 830 H LEU A 92 31.205 -7.688 18.956 1.00 0.00 H ATOM 831 N PHE A 93 28.548 -6.751 17.311 1.00 26.95 N ATOM 832 CA PHE A 93 27.236 -6.808 16.679 1.00 23.79 C ATOM 833 C PHE A 93 26.128 -6.798 17.725 1.00 26.69 C ATOM 834 O PHE A 93 25.145 -6.058 17.606 1.00 29.11 O ATOM 835 CB PHE A 93 27.121 -8.056 15.807 1.00 26.45 C ATOM 836 CG PHE A 93 27.413 -7.805 14.361 1.00 29.18 C ATOM 837 CD1 PHE A 93 26.643 -6.909 13.637 1.00 25.73 C ATOM 838 CD2 PHE A 93 28.444 -8.470 13.725 1.00 29.13 C ATOM 839 CE1 PHE A 93 26.910 -6.664 12.299 1.00 33.41 C ATOM 840 CE2 PHE A 93 28.707 -8.232 12.389 1.00 31.58 C ATOM 841 CZ PHE A 93 27.939 -7.331 11.680 1.00 30.46 C ATOM 842 H PHE A 93 29.236 -7.514 17.150 1.00 0.00 H ATOM 843 N GLU A 94 26.267 -7.625 18.757 1.00 29.94 N ATOM 844 CA GLU A 94 25.209 -7.693 19.760 1.00 29.93 C ATOM 845 C GLU A 94 25.152 -6.419 20.588 1.00 32.22 C ATOM 846 O GLU A 94 24.061 -5.982 20.981 1.00 30.11 O ATOM 847 CB GLU A 94 25.404 -8.932 20.636 1.00 32.62 C ATOM 848 CG GLU A 94 25.412 -10.207 19.795 1.00 29.24 C ATOM 849 CD GLU A 94 25.234 -11.483 20.590 1.00 42.55 C ATOM 850 OE1 GLU A 94 25.366 -11.459 21.834 1.00 42.59 O ATOM 851 OE2 GLU A 94 24.946 -12.518 19.957 1.00 44.84 O ATOM 852 H GLU A 94 27.118 -8.215 18.848 1.00 0.00 H ATOM 853 N GLY A 95 26.302 -5.797 20.845 1.00 29.01 N ATOM 854 CA GLY A 95 26.301 -4.550 21.592 1.00 29.40 C ATOM 855 C GLY A 95 25.604 -3.429 20.848 1.00 32.88 C ATOM 856 O GLY A 95 24.884 -2.629 21.446 1.00 29.76 O ATOM 857 H GLY A 95 27.199 -6.203 20.511 1.00 0.00 H ATOM 858 N VAL A 96 25.801 -3.354 19.528 1.00 27.22 N ATOM 859 CA VAL A 96 25.124 -2.308 18.765 1.00 27.08 C ATOM 860 C VAL A 96 23.650 -2.637 18.533 1.00 33.39 C ATOM 861 O VAL A 96 22.780 -1.771 18.693 1.00 34.63 O ATOM 862 CB VAL A 96 25.858 -2.052 17.434 1.00 26.53 C ATOM 863 CG1 VAL A 96 25.038 -1.097 16.581 1.00 27.71 C ATOM 864 CG2 VAL A 96 27.229 -1.481 17.723 1.00 27.01 C ATOM 865 H VAL A 96 26.428 -4.032 19.050 1.00 0.00 H ATOM 866 N GLN A 97 23.326 -3.877 18.156 1.00 29.00 N ATOM 867 CA GLN A 97 21.995 -4.169 17.640 1.00 30.17 C ATOM 868 C GLN A 97 21.097 -4.969 18.568 1.00 30.40 C ATOM 869 O GLN A 97 19.879 -4.886 18.424 1.00 33.73 O ATOM 870 CB GLN A 97 22.093 -4.916 16.303 1.00 31.70 C ATOM 871 CG GLN A 97 22.714 -4.053 15.199 1.00 26.91 C ATOM 872 CD GLN A 97 22.599 -4.691 13.830 1.00 26.96 C ATOM 873 OE1 GLN A 97 21.571 -5.255 13.484 1.00 33.04 O ATOM 874 NE2 GLN A 97 23.668 -4.599 13.042 1.00 32.93 N ATOM 875 HE22 GLN A 97 24.522 -4.109 13.379 1.00 0.00 H ATOM 876 HE21 GLN A 97 23.650 -5.017 12.090 1.00 0.00 H ATOM 877 H GLN A 97 24.029 -4.640 18.231 1.00 0.00 H ATOM 878 N LYS A 98 21.644 -5.766 19.484 1.00 29.10 N ATOM 879 CA LYS A 98 20.793 -6.604 20.324 1.00 30.91 C ATOM 880 C LYS A 98 20.562 -5.972 21.689 1.00 30.86 C ATOM 881 O LYS A 98 19.424 -5.654 22.045 1.00 32.58 O ATOM 882 CB LYS A 98 21.385 -8.007 20.486 1.00 29.63 C ATOM 883 CG LYS A 98 20.524 -8.911 21.373 1.00 32.48 C ATOM 884 CD LYS A 98 21.100 -10.308 21.454 1.00 41.57 C ATOM 885 CE LYS A 98 20.241 -11.216 22.318 1.00 47.32 C ATOM 886 NZ LYS A 98 20.822 -12.584 22.423 1.00 54.87 N ATOM 887 HZ1 LYS A 98 20.892 -13.003 21.474 1.00 0.00 H ATOM 888 HZ2 LYS A 98 21.769 -12.525 22.848 1.00 0.00 H ATOM 889 HZ3 LYS A 98 20.209 -13.175 23.020 1.00 0.00 H ATOM 890 H LYS A 98 22.677 -5.792 19.601 1.00 0.00 H ATOM 891 N THR A 99 21.632 -5.768 22.456 1.00 35.16 N ATOM 892 CA THR A 99 21.511 -5.152 23.770 1.00 34.43 C ATOM 893 C THR A 99 21.541 -3.632 23.718 1.00 36.27 C ATOM 894 O THR A 99 21.015 -2.983 24.633 1.00 36.51 O ATOM 895 CB THR A 99 22.622 -5.662 24.694 1.00 33.03 C ATOM 896 OG1 THR A 99 23.899 -5.341 24.134 1.00 31.14 O ATOM 897 CG2 THR A 99 22.521 -7.167 24.850 1.00 35.23 C ATOM 898 HG1 THR A 99 24.614 -5.672 24.734 1.00 0.00 H ATOM 899 H THR A 99 22.570 -6.054 22.110 1.00 0.00 H ATOM 900 N GLN A 100 22.113 -3.054 22.661 1.00 37.71 N ATOM 901 CA GLN A 100 22.235 -1.606 22.516 1.00 39.70 C ATOM 902 C GLN A 100 22.923 -0.999 23.734 1.00 31.71 C ATOM 903 O GLN A 100 22.483 -0.003 24.315 1.00 40.51 O ATOM 904 CB GLN A 100 20.876 -0.972 22.249 1.00 40.35 C ATOM 905 CG GLN A 100 20.272 -1.463 20.934 1.00 43.95 C ATOM 906 CD GLN A 100 19.076 -0.648 20.496 1.00 49.71 C ATOM 907 OE1 GLN A 100 18.678 0.299 21.173 1.00 55.72 O ATOM 908 NE2 GLN A 100 18.495 -1.012 19.357 1.00 44.89 N ATOM 909 HE22 GLN A 100 18.867 -1.820 18.818 1.00 0.00 H ATOM 910 HE21 GLN A 100 17.668 -0.489 19.005 1.00 0.00 H ATOM 911 H GLN A 100 22.489 -3.662 21.906 1.00 0.00 H ATOM 912 N THR A 101 24.021 -1.634 24.121 1.00 28.79 N ATOM 913 CA THR A 101 24.890 -1.181 25.189 1.00 30.25 C ATOM 914 C THR A 101 26.129 -0.466 24.671 1.00 33.89 C ATOM 915 O THR A 101 26.934 0.011 25.474 1.00 34.27 O ATOM 916 CB THR A 101 25.294 -2.374 26.062 1.00 39.58 C ATOM 917 OG1 THR A 101 25.708 -3.464 25.221 1.00 35.44 O ATOM 918 CG2 THR A 101 24.110 -2.815 26.917 1.00 39.04 C ATOM 919 HG1 THR A 101 24.959 -3.726 24.629 1.00 0.00 H ATOM 920 H THR A 101 24.275 -2.513 23.627 1.00 0.00 H ATOM 921 N ILE A 102 26.299 -0.373 23.355 1.00 33.47 N ATOM 922 CA ILE A 102 27.417 0.346 22.757 1.00 30.86 C ATOM 923 C ILE A 102 26.879 1.692 22.286 1.00 32.38 C ATOM 924 O ILE A 102 26.162 1.777 21.288 1.00 32.08 O ATOM 925 CB ILE A 102 28.061 -0.447 21.621 1.00 30.60 C ATOM 926 CG1 ILE A 102 28.630 -1.751 22.181 1.00 31.55 C ATOM 927 CG2 ILE A 102 29.158 0.396 20.950 1.00 34.62 C ATOM 928 CD1 ILE A 102 29.221 -2.663 21.124 1.00 38.39 C ATOM 929 H ILE A 102 25.607 -0.831 22.728 1.00 0.00 H ATOM 930 N ARG A 103 27.207 2.743 23.033 1.00 32.45 N ATOM 931 CA ARG A 103 26.750 4.089 22.736 1.00 33.83 C ATOM 932 C ARG A 103 27.902 5.081 22.642 1.00 39.03 C ATOM 933 O ARG A 103 27.676 6.234 22.261 1.00 41.12 O ATOM 934 CB ARG A 103 25.745 4.556 23.802 1.00 36.57 C ATOM 935 CG ARG A 103 24.681 3.507 24.098 1.00 39.02 C ATOM 936 CD ARG A 103 23.722 3.959 25.191 1.00 47.13 C ATOM 937 NE ARG A 103 22.936 2.842 25.711 1.00 61.30 N ATOM 938 CZ ARG A 103 23.252 2.151 26.803 1.00 72.50 C ATOM 939 NH1 ARG A 103 24.336 2.465 27.500 1.00 73.43 N ATOM 940 NH2 ARG A 103 22.480 1.148 27.205 1.00 76.40 N ATOM 941 HE ARG A 103 22.075 2.570 25.195 1.00 0.00 H ATOM 942 HH12 ARG A 103 24.581 1.923 28.353 1.00 0.00 H ATOM 943 HH11 ARG A 103 24.941 3.253 27.193 1.00 0.00 H ATOM 944 HH22 ARG A 103 22.730 0.610 28.059 1.00 0.00 H ATOM 945 HH21 ARG A 103 21.626 0.901 26.666 1.00 0.00 H ATOM 946 H ARG A 103 27.815 2.595 23.863 1.00 0.00 H ATOM 947 N SER A 104 29.123 4.662 22.958 1.00 36.84 N ATOM 948 CA SER A 104 30.271 5.554 22.970 1.00 30.73 C ATOM 949 C SER A 104 31.511 4.755 22.607 1.00 29.61 C ATOM 950 O SER A 104 31.507 3.521 22.613 1.00 27.63 O ATOM 951 CB SER A 104 30.461 6.212 24.339 1.00 37.75 C ATOM 952 OG SER A 104 30.948 5.258 25.269 1.00 33.73 O ATOM 953 HG SER A 104 30.298 4.516 25.350 1.00 0.00 H ATOM 954 H SER A 104 29.262 3.661 23.205 1.00 0.00 H ATOM 955 N ALA A 105 32.592 5.479 22.313 1.00 26.70 N ATOM 956 CA ALA A 105 33.860 4.806 22.062 1.00 26.76 C ATOM 957 C ALA A 105 34.338 4.053 23.296 1.00 27.90 C ATOM 958 O ALA A 105 34.995 3.016 23.176 1.00 29.11 O ATOM 959 CB ALA A 105 34.919 5.814 21.603 1.00 27.31 C ATOM 960 H ALA A 105 32.530 6.516 22.263 1.00 0.00 H ATOM 961 N SER A 106 34.006 4.540 24.492 1.00 31.82 N ATOM 962 CA SER A 106 34.371 3.793 25.690 1.00 29.34 C ATOM 963 C SER A 106 33.643 2.454 25.740 1.00 31.50 C ATOM 964 O SER A 106 34.226 1.437 26.141 1.00 32.39 O ATOM 965 CB SER A 106 34.077 4.627 26.939 1.00 32.39 C ATOM 966 OG SER A 106 34.471 3.931 28.104 1.00 36.44 O ATOM 967 HG SER A 106 33.972 3.078 28.162 1.00 0.00 H ATOM 968 H SER A 106 33.493 5.441 24.570 1.00 0.00 H ATOM 969 N ASP A 107 32.374 2.425 25.319 1.00 29.63 N ATOM 970 CA ASP A 107 31.633 1.167 25.314 1.00 27.53 C ATOM 971 C ASP A 107 32.237 0.184 24.323 1.00 30.29 C ATOM 972 O ASP A 107 32.266 -1.026 24.577 1.00 27.08 O ATOM 973 CB ASP A 107 30.155 1.406 24.991 1.00 31.66 C ATOM 974 CG ASP A 107 29.461 2.260 26.023 1.00 32.75 C ATOM 975 OD1 ASP A 107 29.932 2.307 27.180 1.00 34.87 O ATOM 976 OD2 ASP A 107 28.444 2.889 25.671 1.00 31.39 O ATOM 977 H ASP A 107 31.914 3.300 24.995 1.00 0.00 H ATOM 978 N ILE A 108 32.725 0.682 23.183 1.00 28.34 N ATOM 979 CA ILE A 108 33.409 -0.188 22.234 1.00 26.78 C ATOM 980 C ILE A 108 34.648 -0.798 22.873 1.00 23.74 C ATOM 981 O ILE A 108 34.898 -2.003 22.761 1.00 28.87 O ATOM 982 CB ILE A 108 33.770 0.593 20.956 1.00 26.96 C ATOM 983 CG1 ILE A 108 32.499 1.030 20.218 1.00 26.95 C ATOM 984 CG2 ILE A 108 34.674 -0.252 20.072 1.00 27.76 C ATOM 985 CD1 ILE A 108 32.783 1.963 19.022 1.00 29.37 C ATOM 986 H ILE A 108 32.616 1.695 22.972 1.00 0.00 H ATOM 987 N ARG A 109 35.456 0.040 23.537 1.00 27.32 N ATOM 988 CA ARG A 109 36.639 -0.440 24.245 1.00 28.60 C ATOM 989 C ARG A 109 36.276 -1.522 25.263 1.00 31.93 C ATOM 990 O ARG A 109 36.978 -2.533 25.387 1.00 28.32 O ATOM 991 CB ARG A 109 37.327 0.751 24.925 1.00 29.72 C ATOM 992 CG ARG A 109 38.591 0.444 25.732 1.00 30.33 C ATOM 993 CD ARG A 109 39.302 1.738 26.147 1.00 28.99 C ATOM 994 NE ARG A 109 40.533 1.473 26.882 1.00 31.73 N ATOM 995 CZ ARG A 109 40.587 1.105 28.156 1.00 29.90 C ATOM 996 NH1 ARG A 109 39.468 0.949 28.856 1.00 31.07 N ATOM 997 NH2 ARG A 109 41.755 0.882 28.727 1.00 34.94 N ATOM 998 HE ARG A 109 41.433 1.580 26.372 1.00 0.00 H ATOM 999 HH12 ARG A 109 39.515 0.661 29.854 1.00 0.00 H ATOM 1000 HH11 ARG A 109 38.545 1.115 28.406 1.00 0.00 H ATOM 1001 HH22 ARG A 109 41.799 0.594 29.725 1.00 0.00 H ATOM 1002 HH21 ARG A 109 42.632 0.995 28.179 1.00 0.00 H ATOM 1003 H ARG A 109 35.235 1.056 23.548 1.00 0.00 H ATOM 1004 N ASP A 110 35.176 -1.333 25.994 1.00 29.94 N ATOM 1005 CA ASP A 110 34.769 -2.336 26.982 1.00 31.89 C ATOM 1006 C ASP A 110 34.632 -3.719 26.350 1.00 28.95 C ATOM 1007 O ASP A 110 34.992 -4.734 26.967 1.00 31.45 O ATOM 1008 CB ASP A 110 33.448 -1.933 27.647 1.00 30.06 C ATOM 1009 CG ASP A 110 33.600 -0.778 28.618 1.00 33.36 C ATOM 1010 OD1 ASP A 110 34.736 -0.499 29.062 1.00 30.84 O ATOM 1011 OD2 ASP A 110 32.572 -0.146 28.949 1.00 33.27 O ATOM 1012 H ASP A 110 34.607 -0.473 25.863 1.00 0.00 H ATOM 1013 N VAL A 111 34.104 -3.781 25.126 1.00 30.46 N ATOM 1014 CA VAL A 111 33.963 -5.060 24.432 1.00 26.67 C ATOM 1015 C VAL A 111 35.319 -5.735 24.281 1.00 32.09 C ATOM 1016 O VAL A 111 35.467 -6.933 24.544 1.00 32.07 O ATOM 1017 CB VAL A 111 33.273 -4.856 23.070 1.00 28.38 C ATOM 1018 CG1 VAL A 111 33.396 -6.104 22.218 1.00 34.56 C ATOM 1019 CG2 VAL A 111 31.800 -4.491 23.281 1.00 32.46 C ATOM 1020 H VAL A 111 33.788 -2.907 24.659 1.00 0.00 H ATOM 1021 N PHE A 112 36.332 -4.976 23.849 1.00 28.23 N ATOM 1022 CA PHE A 112 37.670 -5.547 23.726 1.00 31.58 C ATOM 1023 C PHE A 112 38.227 -5.977 25.078 1.00 31.50 C ATOM 1024 O PHE A 112 38.838 -7.048 25.186 1.00 34.12 O ATOM 1025 CB PHE A 112 38.624 -4.546 23.068 1.00 32.13 C ATOM 1026 CG PHE A 112 38.404 -4.361 21.587 1.00 33.21 C ATOM 1027 CD1 PHE A 112 37.276 -3.713 21.111 1.00 29.85 C ATOM 1028 CD2 PHE A 112 39.358 -4.801 20.675 1.00 29.02 C ATOM 1029 CE1 PHE A 112 37.081 -3.526 19.746 1.00 29.27 C ATOM 1030 CE2 PHE A 112 39.174 -4.623 19.316 1.00 29.30 C ATOM 1031 CZ PHE A 112 38.039 -3.984 18.845 1.00 31.73 C ATOM 1032 H PHE A 112 36.167 -3.980 23.601 1.00 0.00 H ATOM 1033 N ILE A 113 38.059 -5.144 26.110 1.00 30.28 N ATOM 1034 CA ILE A 113 38.538 -5.506 27.444 1.00 33.57 C ATOM 1035 C ILE A 113 37.896 -6.808 27.894 1.00 34.64 C ATOM 1036 O ILE A 113 38.575 -7.733 28.358 1.00 36.51 O ATOM 1037 CB ILE A 113 38.257 -4.376 28.454 1.00 34.09 C ATOM 1038 CG1 ILE A 113 38.918 -3.065 28.022 1.00 41.43 C ATOM 1039 CG2 ILE A 113 38.736 -4.779 29.845 1.00 32.29 C ATOM 1040 CD1 ILE A 113 40.433 -3.099 28.057 1.00 40.41 C ATOM 1041 H ILE A 113 37.584 -4.231 25.963 1.00 0.00 H ATOM 1042 N ASN A 114 36.568 -6.892 27.773 1.00 35.93 N ATOM 1043 CA ASN A 114 35.860 -8.109 28.155 1.00 31.04 C ATOM 1044 C ASN A 114 36.327 -9.305 27.337 1.00 41.20 C ATOM 1045 O ASN A 114 36.345 -10.431 27.842 1.00 40.10 O ATOM 1046 CB ASN A 114 34.352 -7.907 27.993 1.00 37.14 C ATOM 1047 CG ASN A 114 33.548 -9.059 28.555 1.00 43.35 C ATOM 1048 OD1 ASN A 114 33.853 -9.577 29.628 1.00 42.85 O ATOM 1049 ND2 ASN A 114 32.520 -9.475 27.826 1.00 49.60 N ATOM 1050 HD22 ASN A 114 32.299 -9.007 26.924 1.00 0.00 H ATOM 1051 HD21 ASN A 114 31.936 -10.269 28.157 1.00 0.00 H ATOM 1052 H ASN A 114 36.033 -6.081 27.402 1.00 0.00 H ATOM 1053 N ALA A 115 36.715 -9.086 26.083 1.00 38.09 N ATOM 1054 CA ALA A 115 37.205 -10.173 25.249 1.00 35.85 C ATOM 1055 C ALA A 115 38.649 -10.552 25.553 1.00 42.48 C ATOM 1056 O ALA A 115 39.164 -11.499 24.950 1.00 42.86 O ATOM 1057 CB ALA A 115 37.062 -9.804 23.770 1.00 33.49 C ATOM 1058 H ALA A 115 36.667 -8.123 25.693 1.00 0.00 H ATOM 1059 N GLY A 116 39.312 -9.849 26.466 1.00 44.33 N ATOM 1060 CA GLY A 116 40.643 -10.220 26.896 1.00 45.31 C ATOM 1061 C GLY A 116 41.778 -9.401 26.325 1.00 45.02 C ATOM 1062 O GLY A 116 42.941 -9.731 26.579 1.00 45.61 O ATOM 1063 H GLY A 116 38.862 -9.009 26.883 1.00 0.00 H ATOM 1064 N ILE A 117 41.486 -8.358 25.560 1.00 38.48 N ATOM 1065 CA ILE A 117 42.531 -7.459 25.083 1.00 38.64 C ATOM 1066 C ILE A 117 42.889 -6.505 26.212 1.00 38.73 C ATOM 1067 O ILE A 117 42.005 -5.892 26.821 1.00 40.30 O ATOM 1068 CB ILE A 117 42.076 -6.690 23.831 1.00 37.50 C ATOM 1069 CG1 ILE A 117 41.872 -7.638 22.642 1.00 35.04 C ATOM 1070 CG2 ILE A 117 43.100 -5.628 23.472 1.00 33.07 C ATOM 1071 CD1 ILE A 117 40.554 -8.386 22.655 1.00 34.21 C ATOM 1072 H ILE A 117 40.496 -8.178 25.296 1.00 0.00 H ATOM 1073 N LYS A 118 44.180 -6.390 26.509 1.00 37.19 N ATOM 1074 CA LYS A 118 44.605 -5.523 27.597 1.00 43.96 C ATOM 1075 C LYS A 118 44.315 -4.064 27.257 1.00 43.31 C ATOM 1076 O LYS A 118 44.361 -3.650 26.096 1.00 41.82 O ATOM 1077 CB LYS A 118 46.092 -5.717 27.895 1.00 54.65 C ATOM 1078 CG LYS A 118 46.490 -7.152 28.237 1.00 62.69 C ATOM 1079 CD LYS A 118 45.738 -7.673 29.451 1.00 65.39 C ATOM 1080 CE LYS A 118 46.142 -9.101 29.786 1.00 66.12 C ATOM 1081 NZ LYS A 118 45.420 -9.614 30.984 1.00 65.98 N ATOM 1082 HZ1 LYS A 118 45.638 -9.012 31.803 1.00 0.00 H ATOM 1083 HZ2 LYS A 118 44.396 -9.598 30.803 1.00 0.00 H ATOM 1084 HZ3 LYS A 118 45.723 -10.590 31.179 1.00 0.00 H ATOM 1085 H LYS A 118 44.887 -6.921 25.962 1.00 0.00 H ATOM 1086 N GLY A 119 44.003 -3.281 28.292 1.00 42.42 N ATOM 1087 CA GLY A 119 43.668 -1.883 28.069 1.00 39.67 C ATOM 1088 C GLY A 119 44.808 -1.102 27.446 1.00 42.25 C ATOM 1089 O GLY A 119 44.618 -0.369 26.473 1.00 42.45 O ATOM 1090 H GLY A 119 43.999 -3.670 29.257 1.00 0.00 H ATOM 1091 N GLU A 120 46.011 -1.241 28.005 1.00 42.62 N ATOM 1092 CA GLU A 120 47.171 -0.583 27.413 1.00 47.12 C ATOM 1093 C GLU A 120 47.386 -1.046 25.977 1.00 45.55 C ATOM 1094 O GLU A 120 47.791 -0.260 25.115 1.00 49.06 O ATOM 1095 CB GLU A 120 48.414 -0.847 28.261 1.00 49.77 C ATOM 1096 H GLU A 120 46.122 -1.818 28.863 1.00 0.00 H ATOM 1097 N GLU A 121 47.096 -2.318 25.700 1.00 49.35 N ATOM 1098 CA GLU A 121 47.234 -2.860 24.351 1.00 44.72 C ATOM 1099 C GLU A 121 46.213 -2.249 23.399 1.00 42.12 C ATOM 1100 O GLU A 121 46.549 -1.879 22.265 1.00 40.58 O ATOM 1101 CB GLU A 121 47.083 -4.379 24.408 1.00 56.48 C ATOM 1102 CG GLU A 121 47.407 -5.132 23.138 1.00 67.15 C ATOM 1103 CD GLU A 121 47.177 -6.625 23.299 1.00 79.82 C ATOM 1104 OE1 GLU A 121 46.791 -7.051 24.412 1.00 80.86 O ATOM 1105 OE2 GLU A 121 47.378 -7.372 22.318 1.00 82.62 O ATOM 1106 H GLU A 121 46.763 -2.940 26.464 1.00 0.00 H ATOM 1107 N TYR A 122 44.959 -2.138 23.843 1.00 35.77 N ATOM 1108 CA TYR A 122 43.920 -1.536 23.020 1.00 31.90 C ATOM 1109 C TYR A 122 44.191 -0.059 22.785 1.00 33.99 C ATOM 1110 O TYR A 122 44.065 0.435 21.660 1.00 42.77 O ATOM 1111 CB TYR A 122 42.557 -1.718 23.682 1.00 32.49 C ATOM 1112 CG TYR A 122 41.435 -1.111 22.885 1.00 32.46 C ATOM 1113 CD1 TYR A 122 41.046 0.210 23.079 1.00 32.16 C ATOM 1114 CD2 TYR A 122 40.770 -1.858 21.926 1.00 31.30 C ATOM 1115 CE1 TYR A 122 40.012 0.763 22.343 1.00 31.82 C ATOM 1116 CE2 TYR A 122 39.741 -1.321 21.188 1.00 32.34 C ATOM 1117 CZ TYR A 122 39.359 -0.016 21.406 1.00 29.54 C ATOM 1118 OH TYR A 122 38.335 0.505 20.663 1.00 27.73 O ATOM 1119 HH TYR A 122 38.178 1.445 20.933 1.00 0.00 H ATOM 1120 H TYR A 122 44.720 -2.488 24.793 1.00 0.00 H ATOM 1121 N ASP A 123 44.543 0.667 23.844 1.00 32.66 N ATOM 1122 CA ASP A 123 44.742 2.103 23.710 1.00 34.17 C ATOM 1123 C ASP A 123 45.944 2.407 22.831 1.00 35.44 C ATOM 1124 O ASP A 123 45.906 3.340 22.021 1.00 40.67 O ATOM 1125 CB ASP A 123 44.910 2.736 25.088 1.00 36.40 C ATOM 1126 CG ASP A 123 43.663 2.603 25.941 1.00 40.59 C ATOM 1127 OD1 ASP A 123 42.568 2.463 25.365 1.00 34.73 O ATOM 1128 OD2 ASP A 123 43.777 2.633 27.183 1.00 41.74 O ATOM 1129 H ASP A 123 44.676 0.208 24.768 1.00 0.00 H ATOM 1130 N ALA A 124 47.021 1.638 22.986 1.00 37.53 N ATOM 1131 CA ALA A 124 48.192 1.839 22.139 1.00 37.94 C ATOM 1132 C ALA A 124 47.837 1.645 20.671 1.00 41.18 C ATOM 1133 O ALA A 124 48.231 2.446 19.816 1.00 38.20 O ATOM 1134 CB ALA A 124 49.308 0.886 22.557 1.00 42.53 C ATOM 1135 H ALA A 124 47.027 0.893 23.712 1.00 0.00 H ATOM 1136 N ALA A 125 47.080 0.592 20.362 1.00 36.15 N ATOM 1137 CA ALA A 125 46.684 0.347 18.979 1.00 34.87 C ATOM 1138 C ALA A 125 45.733 1.426 18.480 1.00 34.33 C ATOM 1139 O ALA A 125 45.899 1.945 17.371 1.00 37.69 O ATOM 1140 CB ALA A 125 46.046 -1.036 18.858 1.00 34.72 C ATOM 1141 H ALA A 125 46.770 -0.059 21.111 1.00 0.00 H ATOM 1142 N TRP A 126 44.739 1.787 19.295 1.00 33.06 N ATOM 1143 CA TRP A 126 43.756 2.787 18.890 1.00 33.95 C ATOM 1144 C TRP A 126 44.425 4.066 18.411 1.00 35.23 C ATOM 1145 O TRP A 126 43.977 4.685 17.438 1.00 37.72 O ATOM 1146 CB TRP A 126 42.818 3.087 20.061 1.00 35.28 C ATOM 1147 CG TRP A 126 41.797 4.157 19.779 1.00 35.33 C ATOM 1148 CD1 TRP A 126 41.936 5.495 19.986 1.00 39.00 C ATOM 1149 CD2 TRP A 126 40.480 3.965 19.252 1.00 30.83 C ATOM 1150 NE1 TRP A 126 40.790 6.153 19.609 1.00 37.12 N ATOM 1151 CE2 TRP A 126 39.878 5.233 19.164 1.00 36.07 C ATOM 1152 CE3 TRP A 126 39.751 2.844 18.847 1.00 32.77 C ATOM 1153 CZ2 TRP A 126 38.582 5.410 18.686 1.00 32.98 C ATOM 1154 CZ3 TRP A 126 38.467 3.024 18.369 1.00 26.82 C ATOM 1155 CH2 TRP A 126 37.901 4.296 18.280 1.00 27.45 C ATOM 1156 HE1 TRP A 126 40.640 7.181 19.654 1.00 0.00 H ATOM 1157 H TRP A 126 44.664 1.348 20.235 1.00 0.00 H ATOM 1158 N ASN A 127 45.484 4.486 19.094 1.00 35.14 N ATOM 1159 CA ASN A 127 46.166 5.738 18.807 1.00 36.85 C ATOM 1160 C ASN A 127 47.333 5.581 17.844 1.00 41.73 C ATOM 1161 O ASN A 127 48.026 6.565 17.576 1.00 47.32 O ATOM 1162 CB ASN A 127 46.668 6.367 20.108 1.00 37.88 C ATOM 1163 CG ASN A 127 45.536 6.725 21.045 1.00 44.39 C ATOM 1164 OD1 ASN A 127 44.732 7.607 20.746 1.00 41.99 O ATOM 1165 ND2 ASN A 127 45.463 6.042 22.181 1.00 49.06 N ATOM 1166 HD22 ASN A 127 46.166 5.305 22.391 1.00 0.00 H ATOM 1167 HD21 ASN A 127 44.703 6.244 22.861 1.00 0.00 H ATOM 1168 H ASN A 127 45.842 3.892 19.869 1.00 0.00 H ATOM 1169 N SER A 128 47.562 4.385 17.314 1.00 42.51 N ATOM 1170 CA SER A 128 48.742 4.154 16.496 1.00 40.77 C ATOM 1171 C SER A 128 48.513 4.616 15.065 1.00 45.17 C ATOM 1172 O SER A 128 47.384 4.663 14.571 1.00 42.25 O ATOM 1173 CB SER A 128 49.128 2.675 16.500 1.00 41.13 C ATOM 1174 OG SER A 128 48.200 1.910 15.756 1.00 40.84 O ATOM 1175 HG SER A 128 47.299 2.006 16.156 1.00 0.00 H ATOM 1176 H SER A 128 46.892 3.608 17.485 1.00 0.00 H ATOM 1177 N PHE A 129 49.611 4.958 14.391 1.00 39.56 N ATOM 1178 CA PHE A 129 49.505 5.320 12.986 1.00 43.83 C ATOM 1179 C PHE A 129 49.311 4.108 12.087 1.00 40.55 C ATOM 1180 O PHE A 129 48.763 4.250 10.989 1.00 39.53 O ATOM 1181 CB PHE A 129 50.731 6.130 12.576 1.00 45.42 C ATOM 1182 CG PHE A 129 50.707 7.532 13.100 1.00 47.65 C ATOM 1183 CD1 PHE A 129 51.162 7.813 14.376 1.00 49.56 C ATOM 1184 CD2 PHE A 129 50.195 8.564 12.331 1.00 49.68 C ATOM 1185 CE1 PHE A 129 51.125 9.100 14.872 1.00 47.41 C ATOM 1186 CE2 PHE A 129 50.161 9.856 12.817 1.00 56.49 C ATOM 1187 CZ PHE A 129 50.626 10.124 14.091 1.00 52.94 C ATOM 1188 H PHE A 129 50.536 4.966 14.866 1.00 0.00 H ATOM 1189 N VAL A 130 49.715 2.917 12.532 1.00 40.75 N ATOM 1190 CA VAL A 130 49.343 1.703 11.809 1.00 45.49 C ATOM 1191 C VAL A 130 47.826 1.577 11.735 1.00 45.12 C ATOM 1192 O VAL A 130 47.264 1.172 10.709 1.00 40.94 O ATOM 1193 CB VAL A 130 49.983 0.467 12.468 1.00 44.50 C ATOM 1194 CG1 VAL A 130 49.255 -0.797 12.045 1.00 48.69 C ATOM 1195 CG2 VAL A 130 51.459 0.371 12.088 1.00 44.58 C ATOM 1196 H VAL A 130 50.295 2.853 13.393 1.00 0.00 H ATOM 1197 N VAL A 131 47.136 1.929 12.818 1.00 35.42 N ATOM 1198 CA VAL A 131 45.681 1.872 12.793 1.00 35.59 C ATOM 1199 C VAL A 131 45.121 2.985 11.918 1.00 35.42 C ATOM 1200 O VAL A 131 44.176 2.770 11.154 1.00 35.27 O ATOM 1201 CB VAL A 131 45.118 1.917 14.227 1.00 37.05 C ATOM 1202 CG1 VAL A 131 43.684 2.428 14.223 1.00 33.18 C ATOM 1203 CG2 VAL A 131 45.183 0.534 14.849 1.00 41.51 C ATOM 1204 H VAL A 131 47.633 2.243 13.676 1.00 0.00 H ATOM 1205 N LYS A 132 45.709 4.185 11.985 1.00 36.45 N ATOM 1206 CA LYS A 132 45.280 5.255 11.088 1.00 31.95 C ATOM 1207 C LYS A 132 45.409 4.826 9.632 1.00 41.72 C ATOM 1208 O LYS A 132 44.561 5.163 8.797 1.00 39.79 O ATOM 1209 CB LYS A 132 46.092 6.529 11.334 1.00 40.80 C ATOM 1210 CG LYS A 132 45.909 7.151 12.711 1.00 49.39 C ATOM 1211 CD LYS A 132 46.484 8.566 12.754 1.00 58.63 C ATOM 1212 CE LYS A 132 46.738 9.030 14.185 1.00 59.53 C ATOM 1213 NZ LYS A 132 45.539 8.905 15.064 1.00 57.68 N ATOM 1214 HZ1 LYS A 132 44.766 9.483 14.678 1.00 0.00 H ATOM 1215 HZ2 LYS A 132 45.242 7.909 15.104 1.00 0.00 H ATOM 1216 HZ3 LYS A 132 45.776 9.236 16.021 1.00 0.00 H ATOM 1217 H LYS A 132 46.469 4.355 12.674 1.00 0.00 H ATOM 1218 N SER A 133 46.475 4.092 9.308 1.00 45.10 N ATOM 1219 CA SER A 133 46.661 3.616 7.942 1.00 40.36 C ATOM 1220 C SER A 133 45.633 2.552 7.579 1.00 39.38 C ATOM 1221 O SER A 133 45.175 2.492 6.431 1.00 39.69 O ATOM 1222 CB SER A 133 48.075 3.070 7.767 1.00 49.78 C ATOM 1223 OG SER A 133 48.225 2.506 6.477 1.00 60.42 O ATOM 1224 HG SER A 133 47.575 1.768 6.363 1.00 0.00 H ATOM 1225 H SER A 133 47.180 3.857 10.036 1.00 0.00 H ATOM 1226 N LEU A 134 45.272 1.694 8.539 1.00 38.82 N ATOM 1227 CA LEU A 134 44.258 0.675 8.287 1.00 36.98 C ATOM 1228 C LEU A 134 42.878 1.299 8.118 1.00 34.24 C ATOM 1229 O LEU A 134 42.067 0.816 7.320 1.00 34.05 O ATOM 1230 CB LEU A 134 44.249 -0.349 9.424 1.00 32.87 C ATOM 1231 CG LEU A 134 45.274 -1.473 9.316 1.00 45.20 C ATOM 1232 CD1 LEU A 134 45.336 -2.254 10.613 1.00 36.90 C ATOM 1233 CD2 LEU A 134 44.929 -2.388 8.154 1.00 43.64 C ATOM 1234 H LEU A 134 45.719 1.754 9.476 1.00 0.00 H ATOM 1235 N VAL A 135 42.590 2.364 8.871 1.00 34.67 N ATOM 1236 CA VAL A 135 41.374 3.137 8.630 1.00 34.87 C ATOM 1237 C VAL A 135 41.375 3.691 7.210 1.00 34.25 C ATOM 1238 O VAL A 135 40.394 3.558 6.470 1.00 34.22 O ATOM 1239 CB VAL A 135 41.234 4.258 9.673 1.00 32.92 C ATOM 1240 CG1 VAL A 135 40.140 5.226 9.253 1.00 37.49 C ATOM 1241 CG2 VAL A 135 40.904 3.660 11.047 1.00 29.46 C ATOM 1242 H VAL A 135 43.237 2.645 9.635 1.00 0.00 H ATOM 1243 N ALA A 136 42.475 4.335 6.816 1.00 39.32 N ATOM 1244 CA ALA A 136 42.562 4.869 5.462 1.00 41.02 C ATOM 1245 C ALA A 136 42.329 3.782 4.422 1.00 42.32 C ATOM 1246 O ALA A 136 41.657 4.017 3.411 1.00 41.34 O ATOM 1247 CB ALA A 136 43.919 5.535 5.244 1.00 47.09 C ATOM 1248 H ALA A 136 43.271 4.456 7.475 1.00 0.00 H ATOM 1249 N GLN A 137 42.895 2.591 4.639 1.00 39.80 N ATOM 1250 CA GLN A 137 42.717 1.505 3.680 1.00 38.76 C ATOM 1251 C GLN A 137 41.248 1.129 3.551 1.00 39.09 C ATOM 1252 O GLN A 137 40.729 0.977 2.439 1.00 42.74 O ATOM 1253 CB GLN A 137 43.545 0.288 4.094 1.00 45.79 C ATOM 1254 CG GLN A 137 45.046 0.497 4.021 1.00 51.28 C ATOM 1255 CD GLN A 137 45.829 -0.653 4.632 1.00 61.48 C ATOM 1256 OE1 GLN A 137 46.736 -0.442 5.441 1.00 73.52 O ATOM 1257 NE2 GLN A 137 45.484 -1.875 4.246 1.00 57.82 N ATOM 1258 HE22 GLN A 137 44.712 -2.006 3.561 1.00 0.00 H ATOM 1259 HE21 GLN A 137 45.985 -2.702 4.628 1.00 0.00 H ATOM 1260 H GLN A 137 43.465 2.437 5.495 1.00 0.00 H ATOM 1261 N GLN A 138 40.562 0.958 4.684 1.00 35.89 N ATOM 1262 CA GLN A 138 39.149 0.603 4.621 1.00 32.32 C ATOM 1263 C GLN A 138 38.360 1.657 3.864 1.00 33.84 C ATOM 1264 O GLN A 138 37.508 1.326 3.031 1.00 33.01 O ATOM 1265 CB GLN A 138 38.573 0.429 6.028 1.00 29.56 C ATOM 1266 CG GLN A 138 39.210 -0.666 6.848 1.00 29.19 C ATOM 1267 CD GLN A 138 38.629 -0.730 8.244 1.00 28.77 C ATOM 1268 OE1 GLN A 138 37.616 -1.392 8.474 1.00 33.70 O ATOM 1269 NE2 GLN A 138 39.264 -0.037 9.184 1.00 27.38 N ATOM 1270 HE22 GLN A 138 40.116 0.508 8.942 1.00 0.00 H ATOM 1271 HE21 GLN A 138 38.908 -0.039 10.161 1.00 0.00 H ATOM 1272 H GLN A 138 41.032 1.077 5.604 1.00 0.00 H ATOM 1273 N GLU A 139 38.625 2.936 4.148 1.00 31.43 N ATOM 1274 CA GLU A 139 37.906 4.017 3.477 1.00 37.25 C ATOM 1275 C GLU A 139 38.206 4.043 1.982 1.00 38.24 C ATOM 1276 O GLU A 139 37.303 4.232 1.158 1.00 38.02 O ATOM 1277 CB GLU A 139 38.266 5.360 4.115 1.00 39.42 C ATOM 1278 CG GLU A 139 37.749 5.532 5.542 1.00 38.05 C ATOM 1279 CD GLU A 139 38.081 6.909 6.092 1.00 55.32 C ATOM 1280 OE1 GLU A 139 38.201 7.856 5.284 1.00 58.58 O ATOM 1281 OE2 GLU A 139 38.231 7.043 7.321 1.00 56.43 O ATOM 1282 H GLU A 139 39.352 3.165 4.855 1.00 0.00 H ATOM 1283 N LYS A 140 39.478 3.879 1.609 1.00 35.66 N ATOM 1284 CA LYS A 140 39.828 3.909 0.192 1.00 41.95 C ATOM 1285 C LYS A 140 39.132 2.791 -0.570 1.00 43.56 C ATOM 1286 O LYS A 140 38.575 3.010 -1.653 1.00 41.76 O ATOM 1287 CB LYS A 140 41.341 3.804 0.007 1.00 38.97 C ATOM 1288 CG LYS A 140 41.732 3.790 -1.460 1.00 45.38 C ATOM 1289 CD LYS A 140 43.221 3.918 -1.671 1.00 60.14 C ATOM 1290 CE LYS A 140 43.545 4.049 -3.156 1.00 63.59 C ATOM 1291 NZ LYS A 140 43.150 2.838 -3.929 1.00 60.44 N ATOM 1292 HZ1 LYS A 140 43.660 2.010 -3.559 1.00 0.00 H ATOM 1293 HZ2 LYS A 140 42.125 2.687 -3.834 1.00 0.00 H ATOM 1294 HZ3 LYS A 140 43.390 2.975 -4.932 1.00 0.00 H ATOM 1295 H LYS A 140 40.217 3.730 2.326 1.00 0.00 H ATOM 1296 N ALA A 141 39.166 1.576 -0.020 1.00 42.46 N ATOM 1297 CA ALA A 141 38.531 0.440 -0.681 1.00 42.15 C ATOM 1298 C ALA A 141 37.055 0.714 -0.945 1.00 39.48 C ATOM 1299 O ALA A 141 36.544 0.456 -2.040 1.00 40.18 O ATOM 1300 CB ALA A 141 38.708 -0.820 0.173 1.00 36.52 C ATOM 1301 H ALA A 141 39.650 1.437 0.890 1.00 0.00 H ATOM 1302 N ALA A 142 36.349 1.233 0.063 1.00 40.06 N ATOM 1303 CA ALA A 142 34.941 1.573 -0.126 1.00 33.84 C ATOM 1304 C ALA A 142 34.775 2.685 -1.154 1.00 43.68 C ATOM 1305 O ALA A 142 33.864 2.643 -1.988 1.00 43.37 O ATOM 1306 CB ALA A 142 34.318 1.984 1.209 1.00 37.06 C ATOM 1307 H ALA A 142 36.803 1.395 0.985 1.00 0.00 H ATOM 1308 N ALA A 143 35.638 3.703 -1.101 1.00 45.01 N ATOM 1309 CA ALA A 143 35.549 4.780 -2.081 1.00 47.54 C ATOM 1310 C ALA A 143 35.835 4.268 -3.485 1.00 49.08 C ATOM 1311 O ALA A 143 35.198 4.702 -4.452 1.00 54.79 O ATOM 1312 CB ALA A 143 36.517 5.908 -1.720 1.00 53.58 C ATOM 1313 H ALA A 143 36.371 3.728 -0.364 1.00 0.00 H ATOM 1314 N ASP A 144 36.788 3.341 -3.615 1.00 45.28 N ATOM 1315 CA ASP A 144 37.147 2.823 -4.933 1.00 45.93 C ATOM 1316 C ASP A 144 35.937 2.281 -5.685 1.00 49.94 C ATOM 1317 O ASP A 144 35.911 2.313 -6.919 1.00 54.72 O ATOM 1318 CB ASP A 144 38.207 1.727 -4.800 1.00 59.15 C ATOM 1319 CG ASP A 144 39.609 2.281 -4.594 1.00 64.84 C ATOM 1320 OD1 ASP A 144 39.808 3.504 -4.772 1.00 56.36 O ATOM 1321 OD2 ASP A 144 40.512 1.486 -4.252 1.00 63.87 O ATOM 1322 H ASP A 144 37.279 2.985 -2.770 1.00 0.00 H ATOM 1323 N VAL A 145 34.934 1.774 -4.974 1.00 46.68 N ATOM 1324 CA VAL A 145 33.760 1.191 -5.612 1.00 45.52 C ATOM 1325 C VAL A 145 32.510 2.032 -5.353 1.00 48.95 C ATOM 1326 O VAL A 145 31.395 1.554 -5.550 1.00 50.72 O ATOM 1327 CB VAL A 145 33.554 -0.268 -5.175 1.00 48.88 C ATOM 1328 CG1 VAL A 145 34.832 -1.067 -5.382 1.00 53.36 C ATOM 1329 CG2 VAL A 145 33.110 -0.330 -3.710 1.00 43.74 C ATOM 1330 H VAL A 145 34.989 1.794 -3.936 1.00 0.00 H ATOM 1331 N GLN A 146 32.683 3.282 -4.921 1.00 52.49 N ATOM 1332 CA GLN A 146 31.568 4.186 -4.637 1.00 65.83 C ATOM 1333 C GLN A 146 30.499 3.482 -3.803 1.00 66.95 C ATOM 1334 O GLN A 146 29.321 3.437 -4.160 1.00 75.40 O ATOM 1335 CB GLN A 146 30.978 4.746 -5.932 1.00 60.18 C ATOM 1336 H GLN A 146 33.653 3.629 -4.780 1.00 0.00 H ATOM 1337 N LEU A 147 30.929 2.934 -2.671 1.00 51.96 N ATOM 1338 CA LEU A 147 30.079 2.067 -1.868 1.00 52.01 C ATOM 1339 C LEU A 147 29.006 2.877 -1.150 1.00 60.80 C ATOM 1340 O LEU A 147 29.317 3.765 -0.347 1.00 52.86 O ATOM 1341 CB LEU A 147 30.935 1.301 -0.864 1.00 50.45 C ATOM 1342 CG LEU A 147 30.262 0.189 -0.068 1.00 40.82 C ATOM 1343 CD1 LEU A 147 29.927 -1.006 -0.968 1.00 36.71 C ATOM 1344 CD2 LEU A 147 31.163 -0.234 1.077 1.00 39.98 C ATOM 1345 H LEU A 147 31.899 3.130 -2.350 1.00 0.00 H ATOM 1346 N ARG A 148 27.739 2.552 -1.420 1.00 64.07 N ATOM 1347 CA ARG A 148 26.612 3.231 -0.796 1.00 56.09 C ATOM 1348 C ARG A 148 25.715 2.299 0.006 1.00 52.82 C ATOM 1349 O ARG A 148 24.747 2.772 0.615 1.00 54.42 O ATOM 1350 CB ARG A 148 25.768 3.957 -1.855 1.00 60.29 C ATOM 1351 H ARG A 148 27.551 1.787 -2.099 1.00 0.00 H ATOM 1352 N GLY A 149 26.001 1.005 0.036 1.00 44.60 N ATOM 1353 CA GLY A 149 25.190 0.077 0.804 1.00 41.80 C ATOM 1354 C GLY A 149 25.983 -1.131 1.238 1.00 39.81 C ATOM 1355 O GLY A 149 26.933 -1.554 0.570 1.00 37.47 O ATOM 1356 H GLY A 149 26.819 0.649 -0.499 1.00 0.00 H ATOM 1357 N VAL A 150 25.586 -1.693 2.377 1.00 34.37 N ATOM 1358 CA VAL A 150 26.142 -2.947 2.872 1.00 36.13 C ATOM 1359 C VAL A 150 24.978 -3.851 3.268 1.00 37.23 C ATOM 1360 O VAL A 150 23.847 -3.381 3.448 1.00 40.17 O ATOM 1361 CB VAL A 150 27.099 -2.720 4.065 1.00 31.68 C ATOM 1362 CG1 VAL A 150 28.387 -2.053 3.587 1.00 32.29 C ATOM 1363 CG2 VAL A 150 26.427 -1.849 5.118 1.00 35.53 C ATOM 1364 H VAL A 150 24.849 -1.219 2.937 1.00 0.00 H ATOM 1365 N PRO A 151 25.225 -5.163 3.382 1.00 35.04 N ATOM 1366 CA PRO A 151 26.512 -5.791 3.087 1.00 35.75 C ATOM 1367 C PRO A 151 26.832 -5.787 1.597 1.00 44.42 C ATOM 1368 O PRO A 151 25.928 -5.662 0.767 1.00 37.84 O ATOM 1369 CB PRO A 151 26.334 -7.227 3.586 1.00 41.45 C ATOM 1370 CG PRO A 151 24.863 -7.460 3.558 1.00 41.48 C ATOM 1371 CD PRO A 151 24.230 -6.138 3.865 1.00 34.69 C ATOM 1372 N ALA A 152 28.114 -5.914 1.279 1.00 32.85 N ATOM 1373 CA ALA A 152 28.568 -5.985 -0.104 1.00 31.56 C ATOM 1374 C ALA A 152 29.790 -6.879 -0.177 1.00 33.85 C ATOM 1375 O ALA A 152 30.617 -6.893 0.738 1.00 36.86 O ATOM 1376 CB ALA A 152 28.905 -4.596 -0.660 1.00 34.05 C ATOM 1377 H ALA A 152 28.818 -5.965 2.042 1.00 0.00 H ATOM 1378 N MET A 153 29.919 -7.609 -1.285 1.00 36.00 N ATOM 1379 CA MET A 153 31.130 -8.359 -1.555 1.00 34.88 C ATOM 1380 C MET A 153 31.538 -8.124 -3.000 1.00 31.78 C ATOM 1381 O MET A 153 30.694 -8.129 -3.897 1.00 33.19 O ATOM 1382 CB MET A 153 30.960 -9.854 -1.316 1.00 36.97 C ATOM 1383 CG MET A 153 32.280 -10.593 -1.438 1.00 46.86 C ATOM 1384 SD MET A 153 32.188 -12.316 -0.967 1.00 52.61 S ATOM 1385 CE MET A 153 31.459 -12.160 0.661 1.00 52.60 C ATOM 1386 H MET A 153 29.136 -7.641 -1.969 1.00 0.00 H ATOM 1387 N PHE A 154 32.830 -7.895 -3.201 1.00 35.87 N ATOM 1388 CA PHE A 154 33.409 -7.635 -4.507 1.00 40.96 C ATOM 1389 C PHE A 154 34.476 -8.684 -4.763 1.00 35.57 C ATOM 1390 O PHE A 154 35.177 -9.103 -3.837 1.00 39.28 O ATOM 1391 CB PHE A 154 34.010 -6.225 -4.573 1.00 40.13 C ATOM 1392 CG PHE A 154 32.993 -5.128 -4.423 1.00 40.44 C ATOM 1393 CD1 PHE A 154 32.574 -4.712 -3.165 1.00 34.43 C ATOM 1394 CD2 PHE A 154 32.447 -4.519 -5.540 1.00 43.16 C ATOM 1395 CE1 PHE A 154 31.635 -3.704 -3.032 1.00 42.46 C ATOM 1396 CE2 PHE A 154 31.509 -3.512 -5.411 1.00 44.06 C ATOM 1397 CZ PHE A 154 31.101 -3.103 -4.153 1.00 39.08 C ATOM 1398 H PHE A 154 33.464 -7.902 -2.376 1.00 0.00 H ATOM 1399 N VAL A 155 34.591 -9.121 -6.013 1.00 40.89 N ATOM 1400 CA VAL A 155 35.551 -10.152 -6.386 1.00 43.02 C ATOM 1401 C VAL A 155 36.509 -9.568 -7.417 1.00 40.43 C ATOM 1402 O VAL A 155 36.082 -9.138 -8.497 1.00 44.26 O ATOM 1403 CB VAL A 155 34.859 -11.411 -6.928 1.00 44.89 C ATOM 1404 CG1 VAL A 155 35.889 -12.426 -7.372 1.00 50.70 C ATOM 1405 CG2 VAL A 155 33.960 -12.003 -5.859 1.00 39.18 C ATOM 1406 H VAL A 155 33.977 -8.715 -6.747 1.00 0.00 H ATOM 1407 N ASN A 156 37.797 -9.533 -7.067 1.00 49.01 N ATOM 1408 CA ASN A 156 38.864 -9.086 -7.967 1.00 55.99 C ATOM 1409 C ASN A 156 38.649 -7.655 -8.459 1.00 53.15 C ATOM 1410 O ASN A 156 39.093 -7.287 -9.551 1.00 62.66 O ATOM 1411 CB ASN A 156 39.016 -10.039 -9.153 1.00 56.78 C ATOM 1412 CG ASN A 156 39.604 -11.376 -8.753 1.00 55.10 C ATOM 1413 OD1 ASN A 156 40.411 -11.461 -7.824 1.00 58.35 O ATOM 1414 ND2 ASN A 156 39.209 -12.432 -9.459 1.00 54.21 N ATOM 1415 HD22 ASN A 156 38.526 -12.313 -10.234 1.00 0.00 H ATOM 1416 HD21 ASN A 156 39.583 -13.376 -9.236 1.00 0.00 H ATOM 1417 H ASN A 156 38.056 -9.838 -6.107 1.00 0.00 H ATOM 1418 N GLY A 157 37.975 -6.832 -7.659 1.00 58.80 N ATOM 1419 CA GLY A 157 37.719 -5.461 -8.058 1.00 56.53 C ATOM 1420 C GLY A 157 36.880 -5.306 -9.304 1.00 53.86 C ATOM 1421 O GLY A 157 36.789 -4.202 -9.846 1.00 64.27 O ATOM 1422 H GLY A 157 37.629 -7.175 -6.740 1.00 0.00 H ATOM 1423 N LYS A 158 36.250 -6.378 -9.773 1.00 56.41 N ATOM 1424 CA LYS A 158 35.506 -6.351 -11.023 1.00 59.23 C ATOM 1425 C LYS A 158 34.048 -6.760 -10.886 1.00 55.20 C ATOM 1426 O LYS A 158 33.216 -6.274 -11.658 1.00 57.19 O ATOM 1427 CB LYS A 158 36.174 -7.265 -12.066 1.00 62.59 C ATOM 1428 H LYS A 158 36.290 -7.264 -9.230 1.00 0.00 H ATOM 1429 N TYR A 159 33.710 -7.630 -9.933 1.00 46.42 N ATOM 1430 CA TYR A 159 32.362 -8.168 -9.827 1.00 45.41 C ATOM 1431 C TYR A 159 31.817 -7.924 -8.432 1.00 44.76 C ATOM 1432 O TYR A 159 32.539 -8.069 -7.443 1.00 40.91 O ATOM 1433 CB TYR A 159 32.333 -9.660 -10.135 1.00 42.09 C ATOM 1434 CG TYR A 159 32.982 -9.982 -11.452 1.00 47.58 C ATOM 1435 CD1 TYR A 159 32.405 -9.570 -12.645 1.00 54.27 C ATOM 1436 CD2 TYR A 159 34.176 -10.680 -11.504 1.00 50.10 C ATOM 1437 CE1 TYR A 159 32.997 -9.849 -13.857 1.00 60.48 C ATOM 1438 CE2 TYR A 159 34.776 -10.967 -12.717 1.00 48.79 C ATOM 1439 CZ TYR A 159 34.178 -10.548 -13.888 1.00 54.84 C ATOM 1440 OH TYR A 159 34.754 -10.819 -15.101 1.00 59.21 O ATOM 1441 HH TYR A 159 34.190 -10.445 -15.824 1.00 0.00 H ATOM 1442 H TYR A 159 34.430 -7.932 -9.246 1.00 0.00 H ATOM 1443 N GLN A 160 30.540 -7.559 -8.365 1.00 46.22 N ATOM 1444 CA GLN A 160 29.857 -7.279 -7.110 1.00 43.72 C ATOM 1445 C GLN A 160 28.734 -8.289 -6.932 1.00 41.49 C ATOM 1446 O GLN A 160 27.882 -8.435 -7.815 1.00 48.82 O ATOM 1447 CB GLN A 160 29.305 -5.852 -7.091 1.00 41.54 C ATOM 1448 CG GLN A 160 28.465 -5.521 -5.855 1.00 37.61 C ATOM 1449 CD GLN A 160 28.022 -4.072 -5.841 1.00 51.69 C ATOM 1450 OE1 GLN A 160 28.196 -3.353 -6.825 1.00 55.50 O ATOM 1451 NE2 GLN A 160 27.454 -3.632 -4.721 1.00 56.52 N ATOM 1452 HE22 GLN A 160 27.327 -4.276 -3.914 1.00 0.00 H ATOM 1453 HE21 GLN A 160 27.137 -2.644 -4.652 1.00 0.00 H ATOM 1454 H GLN A 160 30.004 -7.469 -9.251 1.00 0.00 H ATOM 1455 N LEU A 161 28.742 -8.987 -5.799 1.00 41.44 N ATOM 1456 CA LEU A 161 27.683 -9.942 -5.497 1.00 33.92 C ATOM 1457 C LEU A 161 26.324 -9.256 -5.515 1.00 42.77 C ATOM 1458 O LEU A 161 26.182 -8.113 -5.072 1.00 42.64 O ATOM 1459 CB LEU A 161 27.938 -10.584 -4.132 1.00 37.26 C ATOM 1460 CG LEU A 161 28.888 -11.781 -4.159 1.00 40.92 C ATOM 1461 CD1 LEU A 161 28.221 -12.952 -4.878 1.00 47.41 C ATOM 1462 CD2 LEU A 161 30.210 -11.421 -4.835 1.00 44.58 C ATOM 1463 H LEU A 161 29.516 -8.849 -5.118 1.00 0.00 H ATOM 1464 N ASN A 162 25.316 -9.960 -6.040 1.00 38.99 N ATOM 1465 CA ASN A 162 23.944 -9.459 -6.106 1.00 41.49 C ATOM 1466 C ASN A 162 23.017 -10.446 -5.405 1.00 42.31 C ATOM 1467 O ASN A 162 22.347 -11.258 -6.063 1.00 43.84 O ATOM 1468 CB ASN A 162 23.495 -9.233 -7.547 1.00 46.84 C ATOM 1469 CG ASN A 162 22.143 -8.564 -7.622 1.00 50.34 C ATOM 1470 OD1 ASN A 162 21.782 -7.783 -6.740 1.00 56.14 O ATOM 1471 ND2 ASN A 162 21.383 -8.871 -8.663 1.00 45.92 N ATOM 1472 HD22 ASN A 162 21.731 -9.536 -9.383 1.00 0.00 H ATOM 1473 HD21 ASN A 162 20.438 -8.447 -8.760 1.00 0.00 H ATOM 1474 H ASN A 162 25.517 -10.907 -6.419 1.00 0.00 H ATOM 1475 N PRO A 163 22.938 -10.395 -4.072 1.00 41.53 N ATOM 1476 CA PRO A 163 22.100 -11.360 -3.342 1.00 49.04 C ATOM 1477 C PRO A 163 20.609 -11.172 -3.553 1.00 61.05 C ATOM 1478 O PRO A 163 19.841 -12.089 -3.227 1.00 64.28 O ATOM 1479 CB PRO A 163 22.483 -11.116 -1.876 1.00 46.95 C ATOM 1480 CG PRO A 163 22.949 -9.693 -1.849 1.00 48.17 C ATOM 1481 CD PRO A 163 23.651 -9.481 -3.162 1.00 41.53 C ATOM 1482 N GLN A 164 20.166 -10.023 -4.071 1.00 58.05 N ATOM 1483 CA GLN A 164 18.743 -9.840 -4.324 1.00 60.25 C ATOM 1484 C GLN A 164 18.231 -10.789 -5.399 1.00 59.81 C ATOM 1485 O GLN A 164 17.020 -11.014 -5.485 1.00 66.62 O ATOM 1486 CB GLN A 164 18.454 -8.388 -4.714 1.00 54.40 C ATOM 1487 H GLN A 164 20.836 -9.260 -4.293 1.00 0.00 H ATOM 1488 N GLY A 165 19.123 -11.356 -6.209 1.00 63.63 N ATOM 1489 CA GLY A 165 18.736 -12.342 -7.197 1.00 73.66 C ATOM 1490 C GLY A 165 18.973 -13.767 -6.735 1.00 78.10 C ATOM 1491 O GLY A 165 19.586 -14.564 -7.451 1.00 77.52 O ATOM 1492 H GLY A 165 20.124 -11.084 -6.130 1.00 0.00 H ATOM 1493 N MET A 166 18.490 -14.096 -5.536 1.00 75.51 N ATOM 1494 CA MET A 166 18.651 -15.425 -4.961 1.00 66.69 C ATOM 1495 C MET A 166 17.458 -15.716 -4.057 1.00 69.94 C ATOM 1496 O MET A 166 16.943 -14.812 -3.391 1.00 76.56 O ATOM 1497 CB MET A 166 19.963 -15.542 -4.167 1.00 57.16 C ATOM 1498 CG MET A 166 21.242 -15.133 -4.927 1.00 50.02 C ATOM 1499 SD MET A 166 22.744 -15.309 -3.926 1.00 55.94 S ATOM 1500 CE MET A 166 23.971 -14.451 -4.898 1.00 42.84 C ATOM 1501 H MET A 166 17.978 -13.375 -4.989 1.00 0.00 H ATOM 1502 N ASP A 167 17.022 -16.975 -4.036 1.00 58.26 N ATOM 1503 CA ASP A 167 15.887 -17.359 -3.204 1.00 62.18 C ATOM 1504 C ASP A 167 16.282 -17.334 -1.732 1.00 63.62 C ATOM 1505 O ASP A 167 17.370 -17.778 -1.357 1.00 56.83 O ATOM 1506 CB ASP A 167 15.380 -18.751 -3.600 1.00 63.45 C ATOM 1507 CG ASP A 167 14.057 -19.117 -2.929 1.00 64.36 C ATOM 1508 OD1 ASP A 167 13.584 -18.349 -2.066 1.00 64.12 O ATOM 1509 OD2 ASP A 167 13.480 -20.176 -3.275 1.00 57.38 O ATOM 1510 H ASP A 167 17.497 -17.693 -4.620 1.00 0.00 H ATOM 1511 N THR A 168 15.390 -16.801 -0.894 1.00 62.68 N ATOM 1512 CA THR A 168 15.654 -16.663 0.535 1.00 65.23 C ATOM 1513 C THR A 168 14.681 -17.468 1.386 1.00 68.75 C ATOM 1514 O THR A 168 14.646 -17.287 2.610 1.00 71.44 O ATOM 1515 CB THR A 168 15.608 -15.190 0.951 1.00 64.56 C ATOM 1516 OG1 THR A 168 14.250 -14.730 0.938 1.00 68.88 O ATOM 1517 CG2 THR A 168 16.433 -14.343 -0.009 1.00 65.35 C ATOM 1518 HG1 THR A 168 13.714 -15.269 1.572 1.00 0.00 H ATOM 1519 H THR A 168 14.478 -16.474 -1.271 1.00 0.00 H ATOM 1520 N SER A 169 13.887 -18.347 0.773 1.00 60.35 N ATOM 1521 CA SER A 169 12.957 -19.165 1.543 1.00 69.66 C ATOM 1522 C SER A 169 13.693 -20.128 2.464 1.00 66.49 C ATOM 1523 O SER A 169 13.148 -20.545 3.493 1.00 66.75 O ATOM 1524 CB SER A 169 12.035 -19.936 0.598 1.00 71.63 C ATOM 1525 OG SER A 169 12.791 -20.740 -0.291 1.00 73.12 O ATOM 1526 HG SER A 169 13.391 -20.163 -0.827 1.00 0.00 H ATOM 1527 H SER A 169 13.931 -18.450 -0.261 1.00 0.00 H ATOM 1528 N ASN A 170 14.920 -20.497 2.108 1.00 57.94 N ATOM 1529 CA ASN A 170 15.735 -21.409 2.899 1.00 54.38 C ATOM 1530 C ASN A 170 17.076 -20.741 3.151 1.00 51.25 C ATOM 1531 O ASN A 170 17.787 -20.395 2.204 1.00 57.62 O ATOM 1532 CB ASN A 170 15.918 -22.751 2.182 1.00 46.97 C ATOM 1533 CG ASN A 170 16.722 -23.739 2.997 1.00 49.35 C ATOM 1534 OD1 ASN A 170 17.909 -23.527 3.262 1.00 50.56 O ATOM 1535 ND2 ASN A 170 16.084 -24.832 3.395 1.00 51.38 N ATOM 1536 HD22 ASN A 170 15.083 -24.969 3.148 1.00 0.00 H ATOM 1537 HD21 ASN A 170 16.585 -25.552 3.954 1.00 0.00 H ATOM 1538 H ASN A 170 15.316 -20.117 1.224 1.00 0.00 H ATOM 1539 N MET A 171 17.422 -20.563 4.426 1.00 48.09 N ATOM 1540 CA MET A 171 18.647 -19.842 4.751 1.00 44.83 C ATOM 1541 C MET A 171 19.887 -20.584 4.251 1.00 52.32 C ATOM 1542 O MET A 171 20.842 -19.962 3.766 1.00 46.11 O ATOM 1543 CB MET A 171 18.720 -19.614 6.255 1.00 48.04 C ATOM 1544 CG MET A 171 17.441 -19.011 6.825 1.00 38.49 C ATOM 1545 SD MET A 171 17.873 -17.845 8.106 1.00 69.34 S ATOM 1546 CE MET A 171 18.260 -18.995 9.405 1.00 71.63 C ATOM 1547 H MET A 171 16.820 -20.937 5.187 1.00 0.00 H ATOM 1548 N ASP A 172 19.892 -21.913 4.358 1.00 50.97 N ATOM 1549 CA ASP A 172 21.084 -22.678 3.999 1.00 44.55 C ATOM 1550 C ASP A 172 21.301 -22.698 2.491 1.00 42.29 C ATOM 1551 O ASP A 172 22.446 -22.644 2.017 1.00 38.71 O ATOM 1552 CB ASP A 172 20.966 -24.098 4.548 1.00 39.40 C ATOM 1553 CG ASP A 172 20.873 -24.127 6.062 1.00 50.51 C ATOM 1554 OD1 ASP A 172 21.775 -23.569 6.720 1.00 48.06 O ATOM 1555 OD2 ASP A 172 19.897 -24.694 6.594 1.00 54.79 O ATOM 1556 H ASP A 172 19.043 -22.408 4.699 1.00 0.00 H ATOM 1557 N VAL A 173 20.217 -22.785 1.720 1.00 40.24 N ATOM 1558 CA VAL A 173 20.333 -22.790 0.267 1.00 39.40 C ATOM 1559 C VAL A 173 20.862 -21.451 -0.228 1.00 46.82 C ATOM 1560 O VAL A 173 21.672 -21.387 -1.161 1.00 39.32 O ATOM 1561 CB VAL A 173 18.977 -23.145 -0.370 1.00 48.34 C ATOM 1562 CG1 VAL A 173 19.011 -22.927 -1.873 1.00 42.30 C ATOM 1563 CG2 VAL A 173 18.617 -24.587 -0.054 1.00 48.30 C ATOM 1564 H VAL A 173 19.277 -22.850 2.161 1.00 0.00 H ATOM 1565 N PHE A 174 20.418 -20.359 0.395 1.00 47.26 N ATOM 1566 CA PHE A 174 20.893 -19.041 -0.005 1.00 42.77 C ATOM 1567 C PHE A 174 22.388 -18.895 0.243 1.00 40.57 C ATOM 1568 O PHE A 174 23.120 -18.375 -0.607 1.00 41.34 O ATOM 1569 CB PHE A 174 20.110 -17.961 0.744 1.00 40.30 C ATOM 1570 CG PHE A 174 20.715 -16.596 0.635 1.00 44.31 C ATOM 1571 CD1 PHE A 174 20.533 -15.833 -0.502 1.00 46.63 C ATOM 1572 CD2 PHE A 174 21.469 -16.077 1.670 1.00 41.64 C ATOM 1573 CE1 PHE A 174 21.094 -14.573 -0.607 1.00 47.10 C ATOM 1574 CE2 PHE A 174 22.037 -14.819 1.569 1.00 44.11 C ATOM 1575 CZ PHE A 174 21.843 -14.067 0.428 1.00 39.85 C ATOM 1576 H PHE A 174 19.730 -20.448 1.170 1.00 0.00 H ATOM 1577 N VAL A 175 22.862 -19.359 1.402 1.00 36.22 N ATOM 1578 CA VAL A 175 24.275 -19.226 1.735 1.00 32.59 C ATOM 1579 C VAL A 175 25.128 -19.958 0.709 1.00 35.45 C ATOM 1580 O VAL A 175 26.142 -19.436 0.230 1.00 33.58 O ATOM 1581 CB VAL A 175 24.544 -19.752 3.153 1.00 42.85 C ATOM 1582 CG1 VAL A 175 26.040 -19.808 3.408 1.00 39.80 C ATOM 1583 CG2 VAL A 175 23.819 -18.893 4.187 1.00 35.68 C ATOM 1584 H VAL A 175 22.216 -19.820 2.074 1.00 0.00 H ATOM 1585 N GLN A 176 24.734 -21.182 0.362 1.00 31.34 N ATOM 1586 CA GLN A 176 25.549 -21.955 -0.574 1.00 33.63 C ATOM 1587 C GLN A 176 25.511 -21.366 -1.979 1.00 34.70 C ATOM 1588 O GLN A 176 26.515 -21.426 -2.698 1.00 35.15 O ATOM 1589 CB GLN A 176 25.111 -23.417 -0.578 1.00 47.45 C ATOM 1590 CG GLN A 176 25.528 -24.171 0.683 1.00 57.09 C ATOM 1591 CD GLN A 176 26.775 -23.586 1.353 1.00 57.25 C ATOM 1592 OE1 GLN A 176 27.834 -23.425 0.728 1.00 46.49 O ATOM 1593 NE2 GLN A 176 26.650 -23.268 2.636 1.00 56.96 N ATOM 1594 HE22 GLN A 176 25.744 -23.419 3.123 1.00 0.00 H ATOM 1595 HE21 GLN A 176 27.458 -22.868 3.154 1.00 0.00 H ATOM 1596 H GLN A 176 23.857 -21.583 0.752 1.00 0.00 H ATOM 1597 N GLN A 177 24.384 -20.785 -2.386 1.00 36.39 N ATOM 1598 CA GLN A 177 24.349 -20.093 -3.669 1.00 36.75 C ATOM 1599 C GLN A 177 25.300 -18.906 -3.670 1.00 37.37 C ATOM 1600 O GLN A 177 26.043 -18.684 -4.635 1.00 37.02 O ATOM 1601 CB GLN A 177 22.925 -19.640 -3.969 1.00 44.14 C ATOM 1602 CG GLN A 177 22.573 -19.667 -5.432 1.00 55.51 C ATOM 1603 CD GLN A 177 21.304 -18.903 -5.724 1.00 57.02 C ATOM 1604 OE1 GLN A 177 20.394 -18.838 -4.891 1.00 55.12 O ATOM 1605 NE2 GLN A 177 21.243 -18.297 -6.901 1.00 44.36 N ATOM 1606 HE22 GLN A 177 22.034 -18.380 -7.570 1.00 0.00 H ATOM 1607 HE21 GLN A 177 20.404 -17.738 -7.155 1.00 0.00 H ATOM 1608 H GLN A 177 23.532 -20.825 -1.791 1.00 0.00 H ATOM 1609 N TYR A 178 25.302 -18.141 -2.581 1.00 32.70 N ATOM 1610 CA TYR A 178 26.210 -17.011 -2.443 1.00 33.36 C ATOM 1611 C TYR A 178 27.663 -17.459 -2.547 1.00 35.18 C ATOM 1612 O TYR A 178 28.455 -16.874 -3.296 1.00 37.58 O ATOM 1613 CB TYR A 178 25.935 -16.329 -1.099 1.00 35.45 C ATOM 1614 CG TYR A 178 26.486 -14.931 -0.925 1.00 39.44 C ATOM 1615 CD1 TYR A 178 27.820 -14.720 -0.597 1.00 44.03 C ATOM 1616 CD2 TYR A 178 25.654 -13.820 -1.045 1.00 39.55 C ATOM 1617 CE1 TYR A 178 28.320 -13.439 -0.420 1.00 46.08 C ATOM 1618 CE2 TYR A 178 26.148 -12.535 -0.871 1.00 40.53 C ATOM 1619 CZ TYR A 178 27.477 -12.351 -0.557 1.00 43.59 C ATOM 1620 OH TYR A 178 27.965 -11.075 -0.381 1.00 48.53 O ATOM 1621 HH TYR A 178 27.477 -10.636 0.360 1.00 0.00 H ATOM 1622 H TYR A 178 24.639 -18.356 -1.809 1.00 0.00 H ATOM 1623 N ALA A 179 28.032 -18.499 -1.794 1.00 31.99 N ATOM 1624 CA ALA A 179 29.417 -18.950 -1.767 1.00 34.11 C ATOM 1625 C ALA A 179 29.822 -19.555 -3.101 1.00 33.46 C ATOM 1626 O ALA A 179 30.960 -19.382 -3.548 1.00 35.68 O ATOM 1627 CB ALA A 179 29.616 -19.960 -0.638 1.00 34.54 C ATOM 1628 H ALA A 179 27.320 -18.994 -1.219 1.00 0.00 H ATOM 1629 N ASP A 180 28.907 -20.276 -3.744 1.00 39.04 N ATOM 1630 CA ASP A 180 29.206 -20.849 -5.048 1.00 36.10 C ATOM 1631 C ASP A 180 29.385 -19.764 -6.103 1.00 40.78 C ATOM 1632 O ASP A 180 30.196 -19.921 -7.025 1.00 42.23 O ATOM 1633 CB ASP A 180 28.099 -21.823 -5.446 1.00 35.85 C ATOM 1634 CG ASP A 180 28.157 -23.114 -4.657 1.00 36.45 C ATOM 1635 OD1 ASP A 180 29.155 -23.322 -3.930 1.00 41.26 O ATOM 1636 OD2 ASP A 180 27.213 -23.924 -4.764 1.00 35.63 O ATOM 1637 H ASP A 180 27.973 -20.431 -3.313 1.00 0.00 H ATOM 1638 N THR A 181 28.642 -18.663 -5.977 1.00 36.74 N ATOM 1639 CA THR A 181 28.797 -17.540 -6.893 1.00 37.19 C ATOM 1640 C THR A 181 30.140 -16.854 -6.692 1.00 38.65 C ATOM 1641 O THR A 181 30.792 -16.465 -7.665 1.00 38.23 O ATOM 1642 CB THR A 181 27.643 -16.547 -6.701 1.00 36.57 C ATOM 1643 OG1 THR A 181 26.395 -17.213 -6.934 1.00 36.02 O ATOM 1644 CG2 THR A 181 27.761 -15.384 -7.679 1.00 37.22 C ATOM 1645 HG1 THR A 181 26.297 -17.961 -6.293 1.00 0.00 H ATOM 1646 H THR A 181 27.940 -18.605 -5.212 1.00 0.00 H ATOM 1647 N VAL A 182 30.579 -16.697 -5.438 1.00 36.11 N ATOM 1648 CA VAL A 182 31.911 -16.147 -5.201 1.00 36.59 C ATOM 1649 C VAL A 182 32.972 -17.048 -5.820 1.00 36.95 C ATOM 1650 O VAL A 182 33.913 -16.576 -6.473 1.00 40.44 O ATOM 1651 CB VAL A 182 32.162 -15.947 -3.698 1.00 35.56 C ATOM 1652 CG1 VAL A 182 33.550 -15.349 -3.490 1.00 40.33 C ATOM 1653 CG2 VAL A 182 31.088 -15.057 -3.095 1.00 37.35 C ATOM 1654 H VAL A 182 29.974 -16.965 -4.636 1.00 0.00 H ATOM 1655 N LYS A 183 32.846 -18.363 -5.618 1.00 37.40 N ATOM 1656 CA LYS A 183 33.794 -19.292 -6.231 1.00 37.42 C ATOM 1657 C LYS A 183 33.803 -19.142 -7.747 1.00 44.59 C ATOM 1658 O LYS A 183 34.870 -19.070 -8.372 1.00 44.53 O ATOM 1659 CB LYS A 183 33.460 -20.732 -5.833 1.00 39.89 C ATOM 1660 CG LYS A 183 34.440 -21.781 -6.368 1.00 47.94 C ATOM 1661 CD LYS A 183 34.156 -23.161 -5.783 1.00 52.64 C ATOM 1662 CE LYS A 183 35.118 -24.221 -6.301 1.00 49.84 C ATOM 1663 NZ LYS A 183 34.823 -24.642 -7.706 1.00 57.32 N ATOM 1664 HZ1 LYS A 183 33.862 -25.036 -7.754 1.00 0.00 H ATOM 1665 HZ2 LYS A 183 34.892 -23.817 -8.336 1.00 0.00 H ATOM 1666 HZ3 LYS A 183 35.511 -25.364 -8.002 1.00 0.00 H ATOM 1667 H LYS A 183 32.073 -18.726 -5.024 1.00 0.00 H ATOM 1668 N TYR A 184 32.619 -19.095 -8.359 1.00 40.03 N ATOM 1669 CA TYR A 184 32.531 -18.976 -9.811 1.00 41.18 C ATOM 1670 C TYR A 184 33.208 -17.701 -10.296 1.00 44.87 C ATOM 1671 O TYR A 184 33.958 -17.716 -11.282 1.00 45.33 O ATOM 1672 CB TYR A 184 31.068 -19.007 -10.248 1.00 41.33 C ATOM 1673 CG TYR A 184 30.814 -18.347 -11.589 1.00 41.75 C ATOM 1674 CD1 TYR A 184 31.046 -19.029 -12.779 1.00 41.41 C ATOM 1675 CD2 TYR A 184 30.337 -17.043 -11.664 1.00 47.30 C ATOM 1676 CE1 TYR A 184 30.812 -18.426 -14.007 1.00 48.05 C ATOM 1677 CE2 TYR A 184 30.100 -16.435 -12.884 1.00 44.74 C ATOM 1678 CZ TYR A 184 30.341 -17.131 -14.053 1.00 53.30 C ATOM 1679 OH TYR A 184 30.106 -16.530 -15.269 1.00 61.13 O ATOM 1680 HH TYR A 184 30.329 -17.163 -15.997 1.00 0.00 H ATOM 1681 H TYR A 184 31.747 -19.144 -7.794 1.00 0.00 H ATOM 1682 N LEU A 185 32.936 -16.583 -9.617 1.00 44.45 N ATOM 1683 CA LEU A 185 33.540 -15.307 -9.986 1.00 41.16 C ATOM 1684 C LEU A 185 35.048 -15.329 -9.787 1.00 42.05 C ATOM 1685 O LEU A 185 35.795 -14.763 -10.590 1.00 50.90 O ATOM 1686 CB LEU A 185 32.915 -14.178 -9.160 1.00 39.48 C ATOM 1687 CG LEU A 185 31.429 -13.889 -9.363 1.00 39.96 C ATOM 1688 CD1 LEU A 185 30.919 -12.932 -8.276 1.00 35.48 C ATOM 1689 CD2 LEU A 185 31.173 -13.334 -10.759 1.00 48.30 C ATOM 1690 H LEU A 185 32.281 -16.623 -8.810 1.00 0.00 H ATOM 1691 N SER A 186 35.515 -15.962 -8.709 1.00 41.86 N ATOM 1692 CA SER A 186 36.944 -16.012 -8.440 1.00 45.11 C ATOM 1693 C SER A 186 37.683 -16.835 -9.476 1.00 51.96 C ATOM 1694 O SER A 186 38.900 -16.681 -9.618 1.00 60.23 O ATOM 1695 CB SER A 186 37.207 -16.593 -7.051 1.00 50.18 C ATOM 1696 OG SER A 186 37.160 -18.008 -7.093 1.00 55.52 O ATOM 1697 HG SER A 186 36.265 -18.298 -7.401 1.00 0.00 H ATOM 1698 H SER A 186 34.851 -16.424 -8.055 1.00 0.00 H ATOM 1699 N GLU A 187 36.974 -17.703 -10.193 1.00 46.82 N ATOM 1700 CA GLU A 187 37.555 -18.520 -11.244 1.00 50.59 C ATOM 1701 C GLU A 187 37.422 -17.894 -12.624 1.00 61.39 C ATOM 1702 O GLU A 187 37.960 -18.447 -13.589 1.00 60.52 O ATOM 1703 CB GLU A 187 36.908 -19.911 -11.240 1.00 53.33 C ATOM 1704 CG GLU A 187 37.202 -20.712 -9.974 1.00 55.83 C ATOM 1705 CD GLU A 187 36.292 -21.917 -9.805 1.00 58.37 C ATOM 1706 OE1 GLU A 187 35.295 -22.031 -10.552 1.00 59.11 O ATOM 1707 OE2 GLU A 187 36.574 -22.750 -8.918 1.00 60.21 O ATOM 1708 H GLU A 187 35.958 -17.801 -9.992 1.00 0.00 H ATOM 1709 N LYS A 188 36.727 -16.766 -12.744 1.00 59.85 N ATOM 1710 CA LYS A 188 36.624 -16.064 -14.019 1.00 66.22 C ATOM 1711 C LYS A 188 37.970 -15.482 -14.435 1.00 71.11 C ATOM 1712 O LYS A 188 38.313 -14.362 -14.059 1.00 71.31 O ATOM 1713 CB LYS A 188 35.579 -14.949 -13.945 1.00 63.45 C ATOM 1714 CG LYS A 188 34.157 -15.417 -14.163 1.00 65.93 C ATOM 1715 CD LYS A 188 33.290 -14.302 -14.722 1.00 65.02 C ATOM 1716 CE LYS A 188 32.312 -14.850 -15.750 1.00 66.83 C ATOM 1717 NZ LYS A 188 31.433 -13.798 -16.331 1.00 70.06 N ATOM 1718 HZ1 LYS A 188 30.879 -13.352 -15.572 1.00 0.00 H ATOM 1719 HZ2 LYS A 188 32.019 -13.079 -16.802 1.00 0.00 H ATOM 1720 HZ3 LYS A 188 30.789 -14.230 -17.024 1.00 0.00 H ATOM 1721 H LYS A 188 36.246 -16.375 -11.909 1.00 0.00 H TER 1722 LYS A 188 HETATM 1723 O HOH 1 32.262 -7.187 31.195 1.00 42.20 O HETATM 1724 O HOH 2 45.661 -8.999 21.775 1.00 63.91 O HETATM 1725 O HOH 3 17.841 -18.455 -5.797 1.00 45.93 O HETATM 1726 O HOH 4 42.300 6.224 2.535 1.00 54.75 O HETATM 1727 O HOH 5 30.615 -23.091 2.134 1.00 48.26 O HETATM 1728 O HOH 6 27.234 -26.341 -4.145 1.00 42.92 O HETATM 1729 O HOH 7 40.284 -17.903 2.242 1.00 60.48 O HETATM 1730 O HOH 8 41.244 5.522 -5.227 1.00 49.06 O HETATM 1731 O HOH 9 15.852 -20.421 -0.237 1.00 49.75 O HETATM 1732 O HOH 10 31.070 7.749 19.385 1.00 56.56 O HETATM 1733 O HOH 11 28.862 1.450 29.342 1.00 44.51 O HETATM 1734 O HOH 12 44.074 -5.072 4.805 1.00 51.76 O HETATM 1735 O HOH 13 40.237 -14.468 -8.229 1.00 52.06 O HETATM 1736 O HOH 14 30.115 8.316 9.886 1.00 33.63 O HETATM 1737 O HOH 15 43.974 -9.260 11.064 1.00 49.71 O HETATM 1738 O HOH 16 28.216 -4.151 24.913 1.00 39.50 O HETATM 1739 O HOH 17 29.008 2.208 9.835 1.00 36.27 O HETATM 1740 O HOH 18 30.189 -9.150 -17.073 1.00 61.62 O HETATM 1741 O HOH 19 35.156 -11.499 30.846 1.00 51.24 O HETATM 1742 O HOH 20 45.179 5.927 15.250 1.00 39.89 O HETATM 1743 O HOH 21 36.429 8.761 19.317 1.00 48.41 O HETATM 1744 O HOH 22 33.627 -8.816 24.686 1.00 38.24 O HETATM 1745 O HOH 23 25.213 -9.844 23.916 1.00 41.19 O HETATM 1746 O HOH 24 35.154 -12.918 22.731 1.00 54.86 O HETATM 1747 O HOH 25 19.010 -3.704 26.209 1.00 45.31 O HETATM 1748 O HOH 26 27.250 -7.110 -2.863 1.00 41.26 O HETATM 1749 O HOH 27 26.286 -9.039 -0.659 1.00 42.56 O HETATM 1750 O HOH 28 26.715 10.555 15.443 1.00 40.27 O HETATM 1751 O HOH 29 43.660 -1.678 -3.354 1.00 68.80 O HETATM 1752 O HOH 30 32.104 2.475 28.784 1.00 33.98 O HETATM 1753 O HOH 31 30.196 -1.221 28.328 1.00 36.40 O HETATM 1754 O HOH 32 24.739 -23.249 -5.593 1.00 33.98 O HETATM 1755 O HOH 33 37.291 5.896 11.575 1.00 36.17 O HETATM 1756 O HOH 34 36.477 1.426 28.328 1.00 37.86 O HETATM 1757 O HOH 35 20.723 -4.288 6.320 1.00 47.16 O HETATM 1758 O HOH 36 48.901 -2.399 21.039 1.00 37.84 O HETATM 1759 O HOH 37 34.987 1.750 4.499 1.00 34.94 O HETATM 1760 O HOH 38 27.014 0.700 -3.252 1.00 48.13 O HETATM 1761 O HOH 39 21.660 -14.424 16.091 1.00 37.41 O HETATM 1762 O HOH 40 26.951 -0.204 28.178 1.00 55.12 O HETATM 1763 O HOH 41 37.264 2.798 21.653 1.00 32.33 O HETATM 1764 O HOH 42 43.683 -7.283 1.839 1.00 55.14 O HETATM 1765 O HOH 43 26.421 -13.070 -18.217 1.00 58.77 O HETATM 1766 O HOH 44 28.380 -6.556 23.670 1.00 29.25 O HETATM 1767 O HOH 45 25.942 8.225 9.443 1.00 36.52 O HETATM 1768 O HOH 46 30.156 -2.296 25.806 1.00 34.60 O HETATM 1769 O HOH 47 34.536 -4.570 -13.656 1.00 55.11 O HETATM 1770 O HOH 48 22.214 -13.488 20.220 1.00 43.78 O HETATM 1771 O HOH 49 31.189 5.027 1.245 1.00 41.87 O HETATM 1772 O HOH 50 30.750 -10.075 9.930 1.00 47.27 O HETATM 1773 O HOH 51 41.873 -14.855 4.130 1.00 64.23 O HETATM 1774 O HOH 52 32.994 -12.841 17.773 1.00 42.01 O HETATM 1775 O HOH 53 25.282 6.480 16.202 1.00 39.04 O HETATM 1776 O HOH 54 25.820 -7.363 24.172 1.00 34.50 O HETATM 1777 O HOH 55 18.880 -5.947 13.745 1.00 41.66 O HETATM 1778 O HOH 56 29.051 -15.861 14.737 1.00 48.14 O HETATM 1779 O HOH 57 29.995 -13.689 7.893 1.00 40.69 O HETATM 1780 O HOH 58 44.950 3.275 -6.048 1.00 42.11 O HETATM 1781 O HOH 59 24.739 -20.923 7.401 1.00 45.39 O HETATM 1782 O HOH 60 39.791 -20.561 1.524 1.00 52.17 O HETATM 1783 O HOH 61 30.294 -16.234 11.347 1.00 45.60 O HETATM 1784 O HOH 62 43.102 7.589 8.738 1.00 53.06 O HETATM 1785 O HOH 63 31.072 -16.064 8.788 1.00 45.63 O HETATM 1786 O HOH 64 29.397 -8.266 3.922 1.00 51.13 O HETATM 1787 O HOH 65 49.203 6.443 9.216 1.00 46.54 O HETATM 1788 O HOH 66 18.748 -7.789 11.528 1.00 39.61 O HETATM 1789 O HOH 67 30.922 -22.239 -8.535 1.00 41.59 O HETATM 1790 O HOH 68 22.553 1.085 18.846 1.00 43.02 O HETATM 1791 O HOH 69 42.539 -0.092 0.484 1.00 36.58 O HETATM 1792 O HOH 70 33.005 -13.843 14.229 1.00 56.33 O HETATM 1793 O HOH 71 33.688 3.872 4.845 1.00 36.30 O HETATM 1794 O HOH 72 37.433 -6.878 -4.828 1.00 40.20 O HETATM 1795 O HOH 73 28.597 -8.999 8.658 1.00 39.50 O HETATM 1796 O HOH 74 24.349 5.247 2.057 1.00 66.76 O HETATM 1797 O HOH 75 25.268 -6.351 -7.176 1.00 48.39 O HETATM 1798 O HOH 76 41.469 4.376 23.494 1.00 47.24 O HETATM 1799 O HOH 77 37.624 -13.674 23.816 1.00 50.19 O HETATM 1800 O HOH 78 19.695 -24.311 -12.293 1.00 46.99 O HETATM 1801 O HOH 79 26.983 8.351 17.000 1.00 42.39 O HETATM 1802 O HOH 80 33.776 7.414 24.916 1.00 37.46 O HETATM 1803 O HOH 81 50.571 7.557 18.633 1.00 58.32 O HETATM 1804 O HOH 82 39.195 -20.061 -6.610 1.00 60.12 O HETATM 1805 O HOH 83 40.020 -7.942 6.878 1.00 37.73 O HETATM 1806 O HOH 84 40.626 -13.214 14.681 1.00 39.86 O HETATM 1807 O HOH 85 35.936 8.199 3.437 1.00 40.95 O HETATM 1808 O HOH 86 23.353 -0.193 3.575 1.00 51.15 O HETATM 1809 O HOH 87 28.128 -11.037 22.764 1.00 42.74 O HETATM 1810 O HOH 88 26.144 -1.990 -2.236 1.00 49.02 O HETATM 1811 O HOH 89 25.259 7.144 20.839 1.00 57.16 O HETATM 1812 O HOH 90 42.938 -10.150 4.579 1.00 55.68 O HETATM 1813 O HOH 91 32.533 8.452 22.290 1.00 48.05 O HETATM 1814 O HOH 92 24.830 -21.478 -7.326 1.00 41.25 O HETATM 1815 O HOH 93 13.460 -25.708 2.220 1.00 43.24 O HETATM 1816 O HOH 94 29.508 -10.267 2.078 1.00 48.61 O HETATM 1817 O HOH 95 49.387 -0.790 16.408 1.00 43.92 O HETATM 1818 O HOH 96 40.143 9.486 15.720 1.00 64.20 O HETATM 1819 O HOH 97 39.313 -9.664 8.941 1.00 44.29 O HETATM 1820 O HOH 98 43.210 -13.786 18.563 1.00 60.35 O HETATM 1821 O HOH 99 42.835 6.407 23.800 1.00 46.97 O HETATM 1822 O HOH 100 27.967 -22.181 8.846 1.00 53.36 O HETATM 1823 O HOH 101 28.700 0.037 -6.098 1.00 69.15 O HETATM 1824 O HOH 102 34.400 -11.480 11.289 1.00 54.80 O HETATM 1825 O HOH 103 46.700 -2.754 30.705 1.00 43.49 O HETATM 1826 O HOH 104 51.343 3.399 6.505 1.00 52.81 O HETATM 1827 O HOH 105 35.961 -11.629 3.929 1.00 46.44 O HETATM 1828 O HOH 106 49.815 -0.446 18.818 1.00 52.22 O HETATM 1829 O HOH 107 48.677 2.842 25.875 1.00 54.09 O HETATM 1830 O HOH 108 35.874 -12.316 8.172 1.00 48.94 O HETATM 1831 O HOH 109 48.027 5.236 24.232 1.00 66.65 O HETATM 1832 O HOH 110 50.956 1.124 8.066 1.00 52.85 O HETATM 1833 O HOH 111 36.669 -26.078 -1.716 1.00 64.41 O HETATM 1834 O HOH 112 20.104 -21.858 -17.654 1.00 69.13 O HETATM 1835 O HOH 113 30.688 -7.656 25.276 1.00 45.14 O HETATM 1836 O HOH 114 44.398 5.318 1.342 1.00 54.84 O HETATM 1837 O HOH 115 38.206 7.055 22.212 1.00 48.52 O HETATM 1838 O HOH 116 37.628 4.936 25.495 1.00 50.92 O HETATM 1839 O HOH 117 26.053 -6.662 27.283 1.00 44.71 O HETATM 1840 O HOH 118 34.277 9.660 21.162 1.00 57.63 O HETATM 1841 O HOH 119 27.206 8.781 19.389 1.00 51.08 O HETATM 1842 O HOH 120 49.657 -3.438 15.808 1.00 54.79 O HETATM 1843 O HOH 121 33.546 -11.609 24.658 1.00 47.40 O HETATM 1844 O HOH 122 36.484 -17.575 -17.184 1.00 56.78 O HETATM 1845 O HOH 123 17.214 -7.578 8.839 1.00 60.72 O HETATM 1846 O HOH 124 41.162 8.258 22.974 1.00 65.33 O HETATM 1847 O HOH 125 44.094 6.553 25.894 1.00 71.97 O HETATM 1848 O HOH 126 20.961 1.233 16.786 1.00 60.94 O HETATM 1849 O HOH 127 37.170 -12.472 6.198 1.00 41.01 O HETATM 1850 O HOH 128 36.530 -14.080 -17.706 1.00 63.51 O HETATM 1851 O HOH 129 34.721 -14.455 9.543 1.00 55.25 O HETATM 1852 O HOH 130 48.841 -2.116 8.770 1.00 53.00 O HETATM 1853 O HOH 131 27.250 -16.233 16.342 1.00 52.25 O HETATM 1854 O HOH 132 38.828 4.669 22.977 1.00 48.69 O HETATM 1855 O HOH 133 23.029 -5.240 -14.307 1.00 69.91 O HETATM 1856 O HOH 134 42.418 -7.807 6.162 1.00 51.13 O HETATM 1857 O HOH 135 44.418 -7.909 8.326 1.00 54.73 O HETATM 1858 O HOH 136 37.254 -11.263 10.057 1.00 44.55 O HETATM 1859 O HOH 137 46.380 -6.333 8.516 1.00 66.49 O HETATM 1860 O HOH 138 49.120 -3.758 29.950 1.00 49.68 O HETATM 1861 O HOH 139 30.128 -13.521 22.503 1.00 62.81 O HETATM 1862 O HOH 140 23.974 -6.342 28.611 1.00 53.19 O HETATM 1863 O HOH 141 48.096 -4.139 10.387 1.00 62.47 O HETATM 1864 O HOH 142 20.809 3.681 14.812 1.00 63.67 O HETATM 1865 C10 OZG A 143 19.997 -10.568 2.633 1.00 -0.04 C HETATM 1866 C09 OZG A 143 18.741 -10.810 1.982 1.00 0.11 C HETATM 1867 C21 OZG A 143 18.243 -9.851 1.087 1.00 0.00 C HETATM 1868 C20 OZG A 143 18.926 -8.706 0.845 1.00 0.11 C HETATM 1869 C12 OZG A 143 20.184 -8.438 1.489 1.00 -0.01 C HETATM 1870 C13 OZG A 143 20.392 -7.261 0.925 1.00 -0.02 C HETATM 1871 C14 OZG A 143 21.663 -6.496 1.291 1.00 0.02 C HETATM 1872 C15 OZG A 143 21.347 -5.000 1.376 1.00 0.04 C HETATM 1873 O16 OZG A 143 21.110 -4.343 0.326 1.00 -0.57 O HETATM 1874 O17 OZG A 143 21.319 -4.419 2.493 1.00 -0.57 O HETATM 1875 H11 OZG A 143 22.429 -6.666 0.520 1.00 0.05 H HETATM 1876 H12 OZG A 143 22.037 -6.848 2.264 1.00 0.05 H HETATM 1877 C18 OZG A 143 19.628 -6.695 0.101 1.00 0.07 C HETATM 1878 O19 OZG A 143 18.589 -7.549 -0.058 1.00 -0.27 O HETATM 1879 H13 OZG A 143 19.771 -5.728 -0.380 1.00 0.09 H HETATM 1880 C11 OZG A 143 20.690 -9.363 2.362 1.00 -0.07 C HETATM 1881 H10 OZG A 143 21.637 -9.170 2.854 1.00 0.05 H HETATM 1882 H2 OZG A 143 17.300 -10.028 0.583 1.00 0.05 H HETATM 1883 O08 OZG A 143 17.946 -11.957 2.143 1.00 -0.27 O HETATM 1884 C07 OZG A 143 18.190 -12.840 3.205 1.00 0.11 C HETATM 1885 C22 OZG A 143 18.234 -12.425 4.532 1.00 -0.00 C HETATM 1886 C03 OZG A 143 18.454 -13.355 5.536 1.00 0.08 C HETATM 1887 C04 OZG A 143 18.613 -14.697 5.225 1.00 -0.04 C HETATM 1888 C05 OZG A 143 18.552 -15.113 3.911 1.00 -0.08 C HETATM 1889 C06 OZG A 143 18.334 -14.186 2.906 1.00 -0.04 C HETATM 1890 H9 OZG A 143 18.275 -14.516 1.875 1.00 0.05 H HETATM 1891 H8 OZG A 143 18.674 -16.162 3.666 1.00 0.06 H HETATM 1892 H7 OZG A 143 18.785 -15.419 6.015 1.00 0.05 H HETATM 1893 O02 OZG A 143 18.518 -12.946 6.870 1.00 -0.32 O HETATM 1894 C01 OZG A 143 17.874 -13.802 7.773 1.00 0.06 C HETATM 1895 H4 OZG A 143 17.976 -13.403 8.793 1.00 0.06 H HETATM 1896 H5 OZG A 143 18.333 -14.800 7.723 1.00 0.06 H HETATM 1897 H6 OZG A 143 16.808 -13.875 7.512 1.00 0.06 H HETATM 1898 H3 OZG A 143 18.097 -11.379 4.780 1.00 0.05 H HETATM 1899 H1 OZG A 143 20.409 -11.297 3.322 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 267 266 292 CONECT 292 267 291 CONECT 1865 1866 1880 1899 CONECT 1866 1865 1867 1883 CONECT 1867 1866 1868 1882 CONECT 1868 1867 1869 1878 CONECT 1869 1868 1870 1880 CONECT 1870 1869 1871 1877 CONECT 1871 1870 1872 1875 1876 CONECT 1872 1871 1873 1874 CONECT 1873 1872 CONECT 1874 1872 CONECT 1875 1871 CONECT 1876 1871 CONECT 1877 1870 1878 1879 CONECT 1878 1868 1877 CONECT 1879 1877 CONECT 1880 1865 1869 1881 CONECT 1881 1880 CONECT 1882 1867 CONECT 1883 1866 1884 CONECT 1884 1883 1885 1889 CONECT 1885 1884 1886 1898 CONECT 1886 1885 1887 1893 CONECT 1887 1886 1888 1892 CONECT 1888 1887 1889 1891 CONECT 1889 1884 1888 1890 CONECT 1890 1889 CONECT 1891 1888 CONECT 1892 1887 CONECT 1893 1886 1894 CONECT 1894 1893 1895 1896 1897 CONECT 1895 1894 CONECT 1896 1894 CONECT 1897 1894 CONECT 1898 1885 CONECT 1899 1865 MASTER 0 0 0 0 0 0 0 0 1898 1 41 15 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6pvy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Thiol:disulfide interchange protein DsbA
Ligand Name
OZG
EC.Number
E.C.-.-.-.-
Resolution
1.74(Å)
Affinity (Kd/Ki/IC50)
Kd=639uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Molecules Vol. 24: pp. 3756
Ligand Properties
Formula
C
1
7
H
1
4
O
5
Molecular Weight
298.290
Exact Mass
298.084
No. of atoms
36
No. of bonds
38
Polar Surface Area
68.9
LOGP Value
4.73 (
Computed with XLOGP3
)
3.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
COc1cccc(c1)Oc1ccc2c(c1)occ2CC(=O)O
InChI String
InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0AEG4
Entrez Gene ID
NCBI Entrez Gene ID:
61755786
948353
ASD
Information of known allosteric effects of PDB entries
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