Browse entries in the PDBbind-CN Database
HEADER 5E8F_COMPLEX COMPND 5E8F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 147 LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY PHE LYS SEQRES 2 A 147 LEU ASN TRP MET ASN LEU ARG ASP ALA GLU THR GLY LYS SEQRES 3 A 147 ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL PRO GLY SEQRES 4 A 147 VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE LEU LYS SEQRES 5 A 147 CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SER THR SEQRES 6 A 147 GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS VAL TYR SEQRES 7 A 147 PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE GLU PHE SEQRES 8 A 147 GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP GLN SER SEQRES 9 A 147 LEU ILE GLU ALA ALA PRO GLU SER GLN MET MET PRO ALA SEQRES 10 A 147 SER VAL LEU THR GLY ASN VAL ILE ILE GLU THR LYS PHE SEQRES 11 A 147 PHE ASP ASP ASP LEU LEU VAL SER THR SER ARG VAL ARG SEQRES 12 A 147 LEU PHE TYR VAL HET LYS A 201 87 ATOM 1 N LYS A 4 -9.593 -15.486 -20.991 1.00 56.42 N ATOM 2 CA LYS A 4 -8.550 -15.746 -19.942 1.00 60.04 C ATOM 3 C LYS A 4 -8.742 -14.852 -18.739 1.00 59.95 C ATOM 4 O LYS A 4 -8.697 -15.300 -17.603 1.00 56.67 O ATOM 5 CB LYS A 4 -7.149 -15.552 -20.488 1.00 64.25 C ATOM 6 CG LYS A 4 -6.157 -16.585 -19.977 1.00 62.95 C ATOM 7 CD LYS A 4 -4.737 -16.065 -20.093 1.00 66.44 C ATOM 8 CE LYS A 4 -3.737 -17.196 -20.243 1.00 69.68 C ATOM 9 NZ LYS A 4 -2.381 -16.607 -20.413 1.00 74.39 N ATOM 10 HZ1 LYS A 4 -2.369 -16.007 -21.262 1.00 0.00 H ATOM 11 HZ2 LYS A 4 -2.146 -16.033 -19.578 1.00 0.00 H ATOM 12 HZ3 LYS A 4 -1.683 -17.371 -20.517 1.00 0.00 H ATOM 13 HN3 LYS A 4 -9.531 -14.496 -21.302 1.00 0.00 H ATOM 14 HN2 LYS A 4 -10.536 -15.667 -20.592 1.00 0.00 H ATOM 15 HN1 LYS A 4 -9.432 -16.116 -21.802 1.00 0.00 H ATOM 16 N ASP A 5 -8.968 -13.577 -18.998 1.00 53.03 N ATOM 17 CA ASP A 5 -9.399 -12.679 -17.967 1.00 52.85 C ATOM 18 C ASP A 5 -10.865 -13.011 -17.719 1.00 56.07 C ATOM 19 O ASP A 5 -11.403 -12.828 -16.608 1.00 54.21 O ATOM 20 CB ASP A 5 -9.177 -11.250 -18.455 1.00 63.63 C ATOM 21 CG ASP A 5 -7.849 -11.104 -19.206 1.00 67.59 C ATOM 22 OD1 ASP A 5 -6.794 -11.175 -18.542 1.00 68.18 O ATOM 23 OD2 ASP A 5 -7.858 -10.966 -20.459 1.00 74.70 O ATOM 24 H ASP A 5 -8.831 -13.219 -19.965 1.00 0.00 H ATOM 25 N GLU A 6 -11.504 -13.530 -18.767 1.00 52.13 N ATOM 26 CA GLU A 6 -12.860 -14.030 -18.686 1.00 49.78 C ATOM 27 C GLU A 6 -12.989 -15.276 -17.790 1.00 41.59 C ATOM 28 O GLU A 6 -13.937 -15.380 -17.022 1.00 34.75 O ATOM 29 CB GLU A 6 -13.393 -14.349 -20.089 1.00 51.47 C ATOM 30 CG GLU A 6 -14.899 -14.585 -20.112 1.00 63.25 C ATOM 31 CD GLU A 6 -15.654 -13.781 -21.180 1.00 67.35 C ATOM 32 OE1 GLU A 6 -16.586 -14.353 -21.791 1.00 68.11 O ATOM 33 OE2 GLU A 6 -15.352 -12.579 -21.388 1.00 71.72 O ATOM 34 H GLU A 6 -11.008 -13.578 -19.680 1.00 0.00 H ATOM 35 N ARG A 7 -12.082 -16.217 -17.965 1.00 36.45 N ATOM 36 CA ARG A 7 -12.024 -17.430 -17.150 1.00 43.23 C ATOM 37 C ARG A 7 -11.698 -17.086 -15.666 1.00 39.23 C ATOM 38 O ARG A 7 -12.416 -17.459 -14.738 1.00 39.06 O ATOM 39 CB ARG A 7 -10.942 -18.370 -17.701 1.00 42.20 C ATOM 40 CG ARG A 7 -10.773 -19.711 -16.961 1.00 42.69 C ATOM 41 CD ARG A 7 -12.110 -20.429 -16.840 1.00 45.06 C ATOM 42 NE ARG A 7 -12.072 -21.656 -16.033 1.00 50.20 N ATOM 43 CZ ARG A 7 -13.150 -22.353 -15.668 1.00 46.36 C ATOM 44 NH1 ARG A 7 -14.363 -21.949 -15.988 1.00 43.10 N ATOM 45 NH2 ARG A 7 -13.021 -23.459 -14.946 1.00 47.90 N ATOM 46 HE ARG A 7 -11.142 -22.005 -15.725 1.00 0.00 H ATOM 47 HH12 ARG A 7 -15.191 -22.506 -15.694 1.00 0.00 H ATOM 48 HH11 ARG A 7 -14.492 -21.073 -16.534 1.00 0.00 H ATOM 49 HH22 ARG A 7 -13.865 -23.998 -14.665 1.00 0.00 H ATOM 50 HH21 ARG A 7 -12.076 -23.787 -14.661 1.00 0.00 H ATOM 51 H ARG A 7 -11.375 -16.091 -18.717 1.00 0.00 H ATOM 52 N ALA A 8 -10.597 -16.381 -15.480 1.00 38.73 N ATOM 53 CA ALA A 8 -10.206 -15.842 -14.193 1.00 37.47 C ATOM 54 C ALA A 8 -11.404 -15.278 -13.486 1.00 41.57 C ATOM 55 O ALA A 8 -11.629 -15.620 -12.298 1.00 34.53 O ATOM 56 CB ALA A 8 -9.151 -14.780 -14.377 1.00 37.48 C ATOM 57 H ALA A 8 -9.980 -16.204 -16.298 1.00 0.00 H ATOM 58 N ARG A 9 -12.196 -14.465 -14.206 1.00 38.91 N ATOM 59 CA ARG A 9 -13.385 -13.852 -13.638 1.00 40.66 C ATOM 60 C ARG A 9 -14.451 -14.870 -13.339 1.00 42.04 C ATOM 61 O ARG A 9 -15.176 -14.718 -12.348 1.00 39.26 O ATOM 62 CB ARG A 9 -14.014 -12.794 -14.577 1.00 53.44 C ATOM 63 CG ARG A 9 -13.442 -11.390 -14.474 1.00 64.99 C ATOM 64 CD ARG A 9 -14.313 -10.362 -15.196 1.00 74.82 C ATOM 65 NE ARG A 9 -13.547 -9.612 -16.211 1.00 88.28 N ATOM 66 CZ ARG A 9 -13.584 -9.813 -17.540 1.00 86.77 C ATOM 67 NH1 ARG A 9 -14.362 -10.744 -18.093 1.00 87.51 N ATOM 68 NH2 ARG A 9 -12.829 -9.064 -18.337 1.00 85.01 N ATOM 69 HE ARG A 9 -12.920 -8.857 -15.866 1.00 0.00 H ATOM 70 HH12 ARG A 9 -14.366 -10.872 -19.125 1.00 0.00 H ATOM 71 HH11 ARG A 9 -14.965 -11.342 -17.492 1.00 0.00 H ATOM 72 HH22 ARG A 9 -12.852 -9.213 -19.366 1.00 0.00 H ATOM 73 HH21 ARG A 9 -12.215 -8.329 -17.932 1.00 0.00 H ATOM 74 H ARG A 9 -11.951 -14.269 -15.198 1.00 0.00 H ATOM 75 N GLU A 10 -14.651 -15.887 -14.194 1.00 39.02 N ATOM 76 CA GLU A 10 -15.671 -16.879 -13.823 1.00 39.52 C ATOM 77 C GLU A 10 -15.189 -17.746 -12.652 1.00 33.23 C ATOM 78 O GLU A 10 -15.994 -18.132 -11.804 1.00 39.24 O ATOM 79 CB GLU A 10 -16.235 -17.703 -15.001 1.00 44.18 C ATOM 80 CG GLU A 10 -15.260 -18.635 -15.699 1.00 48.77 C ATOM 81 CD GLU A 10 -15.770 -19.120 -17.060 1.00 49.35 C ATOM 82 OE1 GLU A 10 -15.205 -20.083 -17.621 1.00 52.39 O ATOM 83 OE2 GLU A 10 -16.740 -18.541 -17.578 1.00 57.54 O ATOM 84 H GLU A 10 -14.109 -15.969 -15.078 1.00 0.00 H ATOM 85 N ILE A 11 -13.903 -18.030 -12.575 1.00 33.17 N ATOM 86 CA ILE A 11 -13.365 -18.765 -11.399 1.00 33.73 C ATOM 87 C ILE A 11 -13.607 -17.925 -10.115 1.00 31.11 C ATOM 88 O ILE A 11 -14.258 -18.371 -9.154 1.00 33.41 O ATOM 89 CB ILE A 11 -11.889 -19.162 -11.564 1.00 28.92 C ATOM 90 CG1 ILE A 11 -11.727 -20.231 -12.658 1.00 31.31 C ATOM 91 CG2 ILE A 11 -11.326 -19.719 -10.240 1.00 31.49 C ATOM 92 CD1 ILE A 11 -10.285 -20.581 -12.941 1.00 28.45 C ATOM 93 H ILE A 11 -13.262 -17.739 -13.340 1.00 0.00 H ATOM 94 N LEU A 12 -13.164 -16.671 -10.156 1.00 34.90 N ATOM 95 CA LEU A 12 -13.323 -15.759 -9.034 1.00 34.17 C ATOM 96 C LEU A 12 -14.769 -15.514 -8.743 1.00 39.86 C ATOM 97 O LEU A 12 -15.207 -15.700 -7.601 1.00 34.98 O ATOM 98 CB LEU A 12 -12.547 -14.438 -9.253 1.00 37.64 C ATOM 99 CG LEU A 12 -12.725 -13.387 -8.152 1.00 37.26 C ATOM 100 CD1 LEU A 12 -12.122 -13.919 -6.848 1.00 36.53 C ATOM 101 CD2 LEU A 12 -12.104 -12.070 -8.589 1.00 41.48 C ATOM 102 H LEU A 12 -12.689 -16.332 -11.017 1.00 0.00 H ATOM 103 N ARG A 13 -15.566 -15.155 -9.750 1.00 40.59 N ATOM 104 CA ARG A 13 -17.016 -15.056 -9.493 1.00 42.74 C ATOM 105 C ARG A 13 -17.586 -16.309 -8.858 1.00 39.17 C ATOM 106 O ARG A 13 -18.568 -16.225 -8.123 1.00 39.70 O ATOM 107 CB ARG A 13 -17.850 -14.768 -10.745 1.00 52.90 C ATOM 108 CG ARG A 13 -18.350 -13.332 -10.898 1.00 62.45 C ATOM 109 CD ARG A 13 -19.577 -13.272 -11.821 1.00 65.25 C ATOM 110 NE ARG A 13 -19.395 -14.081 -13.026 1.00 66.87 N ATOM 111 CZ ARG A 13 -18.691 -13.713 -14.094 1.00 68.67 C ATOM 112 NH1 ARG A 13 -18.084 -12.526 -14.133 1.00 68.52 N ATOM 113 NH2 ARG A 13 -18.581 -14.547 -15.126 1.00 68.78 N ATOM 114 HE ARG A 13 -19.851 -15.016 -13.050 1.00 0.00 H ATOM 115 HH12 ARG A 13 -17.537 -12.249 -14.973 1.00 0.00 H ATOM 116 HH11 ARG A 13 -18.158 -11.877 -13.324 1.00 0.00 H ATOM 117 HH22 ARG A 13 -18.033 -14.267 -15.964 1.00 0.00 H ATOM 118 HH21 ARG A 13 -19.043 -15.478 -15.094 1.00 0.00 H ATOM 119 H ARG A 13 -15.176 -14.950 -10.692 1.00 0.00 H ATOM 120 N GLY A 14 -17.064 -17.491 -9.175 1.00 32.47 N ATOM 121 CA GLY A 14 -17.625 -18.714 -8.550 1.00 29.88 C ATOM 122 C GLY A 14 -17.053 -19.136 -7.168 1.00 28.96 C ATOM 123 O GLY A 14 -17.469 -20.161 -6.588 1.00 30.60 O ATOM 124 H GLY A 14 -16.275 -17.557 -9.850 1.00 0.00 H ATOM 125 N PHE A 15 -16.066 -18.400 -6.699 1.00 32.94 N ATOM 126 CA PHE A 15 -15.287 -18.762 -5.506 1.00 36.31 C ATOM 127 C PHE A 15 -15.765 -18.062 -4.209 1.00 38.83 C ATOM 128 O PHE A 15 -16.284 -16.980 -4.251 1.00 40.29 O ATOM 129 CB PHE A 15 -13.835 -18.429 -5.746 1.00 33.15 C ATOM 130 CG PHE A 15 -12.926 -18.923 -4.668 1.00 35.95 C ATOM 131 CD1 PHE A 15 -12.677 -18.141 -3.536 1.00 36.63 C ATOM 132 CD2 PHE A 15 -12.348 -20.175 -4.759 1.00 35.88 C ATOM 133 CE1 PHE A 15 -11.855 -18.605 -2.538 1.00 35.66 C ATOM 134 CE2 PHE A 15 -11.519 -20.624 -3.762 1.00 37.52 C ATOM 135 CZ PHE A 15 -11.296 -19.846 -2.646 1.00 35.70 C ATOM 136 H PHE A 15 -15.826 -17.519 -7.197 1.00 0.00 H ATOM 137 N LYS A 16 -15.551 -18.696 -3.068 1.00 41.24 N ATOM 138 CA LYS A 16 -16.008 -18.198 -1.784 1.00 41.31 C ATOM 139 C LYS A 16 -15.117 -18.805 -0.682 1.00 38.83 C ATOM 140 O LYS A 16 -15.128 -20.000 -0.478 1.00 41.07 O ATOM 141 CB LYS A 16 -17.465 -18.604 -1.591 1.00 41.62 C ATOM 142 CG LYS A 16 -18.155 -17.856 -0.483 1.00 52.91 C ATOM 143 CD LYS A 16 -19.637 -18.181 -0.470 1.00 60.88 C ATOM 144 CE LYS A 16 -20.382 -17.250 0.484 1.00 67.84 C ATOM 145 NZ LYS A 16 -20.130 -17.584 1.923 1.00 69.71 N ATOM 146 HZ1 LYS A 16 -20.445 -18.557 2.112 1.00 0.00 H ATOM 147 HZ2 LYS A 16 -19.113 -17.503 2.124 1.00 0.00 H ATOM 148 HZ3 LYS A 16 -20.658 -16.924 2.529 1.00 0.00 H ATOM 149 H LYS A 16 -15.030 -19.596 -3.092 1.00 0.00 H ATOM 150 N LEU A 17 -14.301 -17.985 -0.038 1.00 37.14 N ATOM 151 CA LEU A 17 -13.732 -18.352 1.267 1.00 37.44 C ATOM 152 C LEU A 17 -14.845 -18.298 2.324 1.00 33.91 C ATOM 153 O LEU A 17 -15.320 -17.223 2.620 1.00 40.55 O ATOM 154 CB LEU A 17 -12.550 -17.436 1.625 1.00 35.60 C ATOM 155 CG LEU A 17 -11.873 -17.744 2.957 1.00 41.84 C ATOM 156 CD1 LEU A 17 -11.463 -19.220 2.899 1.00 41.98 C ATOM 157 CD2 LEU A 17 -10.681 -16.848 3.260 1.00 40.74 C ATOM 158 H LEU A 17 -14.059 -17.067 -0.462 1.00 0.00 H ATOM 159 N ASN A 18 -15.262 -19.449 2.866 1.00 30.69 N ATOM 160 CA ASN A 18 -16.414 -19.526 3.766 1.00 30.07 C ATOM 161 C ASN A 18 -15.968 -19.216 5.211 1.00 35.12 C ATOM 162 O ASN A 18 -16.585 -18.392 5.896 1.00 36.24 O ATOM 163 CB ASN A 18 -17.048 -20.906 3.740 1.00 29.74 C ATOM 164 CG ASN A 18 -17.504 -21.299 2.365 1.00 34.26 C ATOM 165 OD1 ASN A 18 -17.179 -22.393 1.826 1.00 29.94 O ATOM 166 ND2 ASN A 18 -18.239 -20.385 1.748 1.00 33.59 N ATOM 167 HD22 ASN A 18 -18.481 -19.498 2.234 1.00 0.00 H ATOM 168 HD21 ASN A 18 -18.573 -20.555 0.778 1.00 0.00 H ATOM 169 H ASN A 18 -14.747 -20.323 2.639 1.00 0.00 H ATOM 170 N TRP A 19 -14.899 -19.888 5.658 1.00 28.16 N ATOM 171 CA TRP A 19 -14.336 -19.657 6.969 1.00 26.14 C ATOM 172 C TRP A 19 -12.891 -20.062 6.999 1.00 26.09 C ATOM 173 O TRP A 19 -12.362 -20.745 6.093 1.00 21.77 O ATOM 174 CB TRP A 19 -15.136 -20.388 8.101 1.00 26.90 C ATOM 175 CG TRP A 19 -15.321 -21.893 7.950 1.00 25.10 C ATOM 176 CD1 TRP A 19 -16.446 -22.504 7.526 1.00 25.51 C ATOM 177 CD2 TRP A 19 -14.391 -22.942 8.254 1.00 20.63 C ATOM 178 NE1 TRP A 19 -16.275 -23.848 7.536 1.00 25.14 N ATOM 179 CE2 TRP A 19 -15.034 -24.147 7.982 1.00 22.28 C ATOM 180 CE3 TRP A 19 -13.085 -22.976 8.724 1.00 21.56 C ATOM 181 CZ2 TRP A 19 -14.416 -25.402 8.136 1.00 23.41 C ATOM 182 CZ3 TRP A 19 -12.457 -24.231 8.850 1.00 22.06 C ATOM 183 CH2 TRP A 19 -13.153 -25.413 8.591 1.00 20.33 C ATOM 184 HE1 TRP A 19 -16.990 -24.545 7.245 1.00 0.00 H ATOM 185 H TRP A 19 -14.459 -20.600 5.041 1.00 0.00 H ATOM 186 N MET A 20 -12.227 -19.579 8.036 1.00 23.80 N ATOM 187 CA MET A 20 -10.869 -19.796 8.174 1.00 23.77 C ATOM 188 C MET A 20 -10.506 -19.667 9.640 1.00 22.07 C ATOM 189 O MET A 20 -10.971 -18.769 10.341 1.00 24.42 O ATOM 190 CB MET A 20 -10.068 -18.759 7.348 1.00 24.26 C ATOM 191 CG MET A 20 -8.613 -18.663 7.790 1.00 29.58 C ATOM 192 SD MET A 20 -7.597 -17.644 6.637 1.00 48.61 S ATOM 193 CE MET A 20 -6.113 -17.466 7.619 1.00 46.32 C ATOM 194 H MET A 20 -12.734 -19.028 8.758 1.00 0.00 H ATOM 195 N ASN A 21 -9.596 -20.508 10.067 1.00 19.55 N ATOM 196 CA ASN A 21 -9.154 -20.630 11.481 1.00 22.56 C ATOM 197 C ASN A 21 -7.695 -20.554 11.493 1.00 19.75 C ATOM 198 O ASN A 21 -7.078 -21.211 10.621 1.00 20.58 O ATOM 199 CB ASN A 21 -9.286 -22.080 11.976 1.00 26.50 C ATOM 200 CG ASN A 21 -10.670 -22.477 12.249 1.00 27.98 C ATOM 201 OD1 ASN A 21 -11.509 -21.664 12.553 1.00 29.68 O ATOM 202 ND2 ASN A 21 -10.913 -23.757 12.156 1.00 30.15 N ATOM 203 HD22 ASN A 21 -10.151 -24.413 11.890 1.00 0.00 H ATOM 204 HD21 ASN A 21 -11.868 -24.120 12.348 1.00 0.00 H ATOM 205 H ASN A 21 -9.151 -21.135 9.366 1.00 0.00 H ATOM 206 N LEU A 22 -7.135 -19.996 12.547 1.00 18.49 N ATOM 207 CA LEU A 22 -5.764 -20.242 12.928 1.00 17.39 C ATOM 208 C LEU A 22 -5.717 -20.925 14.299 1.00 20.37 C ATOM 209 O LEU A 22 -6.276 -20.386 15.291 1.00 19.63 O ATOM 210 CB LEU A 22 -5.045 -18.955 13.008 1.00 19.91 C ATOM 211 CG LEU A 22 -4.838 -18.254 11.642 1.00 18.69 C ATOM 212 CD1 LEU A 22 -4.373 -16.843 11.841 1.00 22.08 C ATOM 213 CD2 LEU A 22 -3.816 -19.008 10.860 1.00 21.92 C ATOM 214 H LEU A 22 -7.705 -19.350 13.130 1.00 0.00 H ATOM 215 N ARG A 23 -4.971 -22.017 14.406 1.00 19.94 N ATOM 216 CA ARG A 23 -4.988 -22.754 15.673 1.00 25.85 C ATOM 217 C ARG A 23 -3.624 -23.132 16.112 1.00 23.26 C ATOM 218 O ARG A 23 -2.719 -23.465 15.339 1.00 22.56 O ATOM 219 CB ARG A 23 -6.052 -23.890 15.681 1.00 28.26 C ATOM 220 CG ARG A 23 -5.544 -25.236 15.412 1.00 33.83 C ATOM 221 CD ARG A 23 -6.366 -26.374 15.997 1.00 28.55 C ATOM 222 NE ARG A 23 -7.555 -26.438 15.234 1.00 24.45 N ATOM 223 CZ ARG A 23 -8.744 -26.461 15.743 1.00 25.10 C ATOM 224 NH1 ARG A 23 -8.914 -26.447 17.036 1.00 24.37 N ATOM 225 NH2 ARG A 23 -9.766 -26.449 14.952 1.00 27.79 N ATOM 226 HE ARG A 23 -7.468 -26.469 14.198 1.00 0.00 H ATOM 227 HH12 ARG A 23 -9.874 -26.466 17.434 1.00 0.00 H ATOM 228 HH11 ARG A 23 -8.089 -26.417 17.669 1.00 0.00 H ATOM 229 HH22 ARG A 23 -10.728 -26.467 15.346 1.00 0.00 H ATOM 230 HH21 ARG A 23 -9.626 -26.421 13.922 1.00 0.00 H ATOM 231 H ARG A 23 -4.387 -22.343 13.609 1.00 0.00 H ATOM 232 N ASP A 24 -3.416 -22.953 17.392 1.00 23.68 N ATOM 233 CA ASP A 24 -2.118 -23.308 17.972 1.00 23.46 C ATOM 234 C ASP A 24 -2.033 -24.821 17.892 1.00 22.93 C ATOM 235 O ASP A 24 -2.895 -25.538 18.443 1.00 22.39 O ATOM 236 CB ASP A 24 -2.053 -22.790 19.412 1.00 24.75 C ATOM 237 CG ASP A 24 -0.791 -23.167 20.136 1.00 25.99 C ATOM 238 OD1 ASP A 24 -0.001 -24.022 19.701 1.00 27.52 O ATOM 239 OD2 ASP A 24 -0.638 -22.581 21.203 1.00 30.32 O ATOM 240 H ASP A 24 -4.168 -22.561 17.994 1.00 0.00 H ATOM 241 N ALA A 25 -0.994 -25.293 17.221 1.00 25.36 N ATOM 242 CA ALA A 25 -0.833 -26.698 16.928 1.00 26.90 C ATOM 243 C ALA A 25 -0.354 -27.519 18.178 1.00 30.36 C ATOM 244 O ALA A 25 -0.377 -28.737 18.147 1.00 26.35 O ATOM 245 CB ALA A 25 0.128 -26.883 15.770 1.00 29.08 C ATOM 246 H ALA A 25 -0.266 -24.627 16.892 1.00 0.00 H ATOM 247 N GLU A 26 0.046 -26.843 19.255 1.00 30.06 N ATOM 248 CA GLU A 26 0.505 -27.531 20.455 1.00 35.73 C ATOM 249 C GLU A 26 -0.611 -27.742 21.479 1.00 32.53 C ATOM 250 O GLU A 26 -0.661 -28.779 22.092 1.00 36.39 O ATOM 251 CB GLU A 26 1.691 -26.782 21.093 1.00 38.22 C ATOM 252 CG GLU A 26 2.888 -26.605 20.154 1.00 45.02 C ATOM 253 CD GLU A 26 3.273 -27.840 19.312 1.00 54.07 C ATOM 254 OE1 GLU A 26 3.287 -28.999 19.840 1.00 63.66 O ATOM 255 OE2 GLU A 26 3.580 -27.662 18.095 1.00 52.02 O ATOM 256 H GLU A 26 0.030 -25.803 19.239 1.00 0.00 H ATOM 257 N THR A 27 -1.484 -26.753 21.653 1.00 30.34 N ATOM 258 CA THR A 27 -2.554 -26.777 22.624 1.00 31.96 C ATOM 259 C THR A 27 -3.873 -27.240 21.965 1.00 34.18 C ATOM 260 O THR A 27 -4.849 -27.561 22.670 1.00 35.38 O ATOM 261 CB THR A 27 -2.845 -25.380 23.188 1.00 32.48 C ATOM 262 OG1 THR A 27 -3.416 -24.554 22.182 1.00 28.75 O ATOM 263 CG2 THR A 27 -1.592 -24.694 23.747 1.00 41.04 C ATOM 264 HG1 THR A 27 -3.599 -23.657 22.558 1.00 0.00 H ATOM 265 H THR A 27 -1.390 -25.909 21.052 1.00 0.00 H ATOM 266 N GLY A 28 -3.888 -27.194 20.624 1.00 28.32 N ATOM 267 CA GLY A 28 -5.082 -27.353 19.826 1.00 30.51 C ATOM 268 C GLY A 28 -6.068 -26.216 19.816 1.00 26.66 C ATOM 269 O GLY A 28 -7.102 -26.317 19.177 1.00 27.97 O ATOM 270 H GLY A 28 -2.987 -27.034 20.130 1.00 0.00 H ATOM 271 N LYS A 29 -5.802 -25.136 20.512 1.00 25.69 N ATOM 272 CA LYS A 29 -6.822 -24.089 20.615 1.00 29.13 C ATOM 273 C LYS A 29 -6.872 -23.164 19.404 1.00 25.20 C ATOM 274 O LYS A 29 -5.853 -22.752 18.893 1.00 23.54 O ATOM 275 CB LYS A 29 -6.600 -23.233 21.888 1.00 36.62 C ATOM 276 CG LYS A 29 -6.689 -24.139 23.146 1.00 49.05 C ATOM 277 CD LYS A 29 -7.051 -23.434 24.457 1.00 53.71 C ATOM 278 CE LYS A 29 -6.583 -24.205 25.701 1.00 61.75 C ATOM 279 NZ LYS A 29 -6.542 -25.690 25.528 1.00 64.10 N ATOM 280 HZ1 LYS A 29 -7.494 -26.037 25.296 1.00 0.00 H ATOM 281 HZ2 LYS A 29 -5.887 -25.930 24.757 1.00 0.00 H ATOM 282 HZ3 LYS A 29 -6.217 -26.132 26.411 1.00 0.00 H ATOM 283 H LYS A 29 -4.882 -25.025 20.983 1.00 0.00 H ATOM 284 N ILE A 30 -8.070 -22.802 19.018 1.00 20.81 N ATOM 285 CA ILE A 30 -8.269 -21.840 18.004 1.00 25.53 C ATOM 286 C ILE A 30 -7.923 -20.449 18.549 1.00 25.09 C ATOM 287 O ILE A 30 -8.538 -20.003 19.525 1.00 21.81 O ATOM 288 CB ILE A 30 -9.723 -21.851 17.529 1.00 22.67 C ATOM 289 CG1 ILE A 30 -10.028 -23.176 16.792 1.00 24.00 C ATOM 290 CG2 ILE A 30 -9.906 -20.752 16.507 1.00 23.16 C ATOM 291 CD1 ILE A 30 -11.443 -23.245 16.238 1.00 25.08 C ATOM 292 H ILE A 30 -8.899 -23.236 19.472 1.00 0.00 H ATOM 293 N LEU A 31 -7.027 -19.731 17.896 1.00 23.95 N ATOM 294 CA LEU A 31 -6.652 -18.358 18.380 1.00 24.90 C ATOM 295 C LEU A 31 -7.327 -17.294 17.597 1.00 25.41 C ATOM 296 O LEU A 31 -7.432 -16.133 18.038 1.00 25.02 O ATOM 297 CB LEU A 31 -5.157 -18.162 18.319 1.00 26.76 C ATOM 298 CG LEU A 31 -4.345 -19.164 19.126 1.00 29.11 C ATOM 299 CD1 LEU A 31 -2.879 -18.905 18.998 1.00 30.18 C ATOM 300 CD2 LEU A 31 -4.744 -19.124 20.598 1.00 33.15 C ATOM 301 H LEU A 31 -6.578 -20.118 17.041 1.00 0.00 H ATOM 302 N TRP A 32 -7.790 -17.675 16.410 1.00 22.62 N ATOM 303 CA TRP A 32 -8.360 -16.728 15.514 1.00 21.31 C ATOM 304 C TRP A 32 -9.259 -17.410 14.532 1.00 23.54 C ATOM 305 O TRP A 32 -8.902 -18.474 13.970 1.00 19.94 O ATOM 306 CB TRP A 32 -7.281 -15.984 14.708 1.00 21.37 C ATOM 307 CG TRP A 32 -7.838 -14.931 13.805 1.00 22.59 C ATOM 308 CD1 TRP A 32 -8.037 -13.650 14.121 1.00 25.48 C ATOM 309 CD2 TRP A 32 -8.249 -15.066 12.420 1.00 25.08 C ATOM 310 NE1 TRP A 32 -8.547 -12.945 13.032 1.00 24.99 N ATOM 311 CE2 TRP A 32 -8.672 -13.781 11.974 1.00 24.79 C ATOM 312 CE3 TRP A 32 -8.258 -16.124 11.514 1.00 27.99 C ATOM 313 CZ2 TRP A 32 -9.122 -13.521 10.647 1.00 27.11 C ATOM 314 CZ3 TRP A 32 -8.686 -15.874 10.190 1.00 30.60 C ATOM 315 CH2 TRP A 32 -9.138 -14.589 9.776 1.00 28.47 C ATOM 316 HE1 TRP A 32 -8.793 -11.935 13.032 1.00 0.00 H ATOM 317 H TRP A 32 -7.735 -18.676 16.134 1.00 0.00 H ATOM 318 N GLN A 33 -10.385 -16.776 14.248 1.00 22.22 N ATOM 319 CA GLN A 33 -11.174 -17.224 13.132 1.00 26.83 C ATOM 320 C GLN A 33 -11.902 -16.121 12.489 1.00 28.35 C ATOM 321 O GLN A 33 -12.384 -15.272 13.157 1.00 29.42 O ATOM 322 CB GLN A 33 -12.111 -18.384 13.496 1.00 33.11 C ATOM 323 CG GLN A 33 -13.115 -18.155 14.530 1.00 39.77 C ATOM 324 CD GLN A 33 -14.100 -19.339 14.650 1.00 51.89 C ATOM 325 OE1 GLN A 33 -13.880 -20.488 14.126 1.00 51.72 O ATOM 326 NE2 GLN A 33 -15.209 -19.064 15.345 1.00 48.31 N ATOM 327 HE22 GLN A 33 -15.346 -18.117 15.753 1.00 0.00 H ATOM 328 HE21 GLN A 33 -15.935 -19.797 15.478 1.00 0.00 H ATOM 329 H GLN A 33 -10.695 -15.966 14.823 1.00 0.00 H ATOM 330 N GLY A 34 -11.908 -16.062 11.153 1.00 34.77 N ATOM 331 CA GLY A 34 -12.818 -15.133 10.450 1.00 37.28 C ATOM 332 C GLY A 34 -13.671 -15.870 9.439 1.00 47.37 C ATOM 333 O GLY A 34 -13.409 -17.058 9.067 1.00 42.22 O ATOM 334 H GLY A 34 -11.269 -16.673 10.606 1.00 0.00 H ATOM 335 N THR A 35 -14.692 -15.147 8.988 1.00 51.65 N ATOM 336 CA THR A 35 -15.627 -15.604 7.962 1.00 54.86 C ATOM 337 C THR A 35 -15.846 -14.554 6.821 1.00 53.44 C ATOM 338 O THR A 35 -16.630 -14.764 5.914 1.00 48.81 O ATOM 339 CB THR A 35 -16.956 -15.989 8.627 1.00 58.09 C ATOM 340 OG1 THR A 35 -17.861 -16.454 7.630 1.00 70.18 O ATOM 341 CG2 THR A 35 -17.580 -14.788 9.395 1.00 57.57 C ATOM 342 HG1 THR A 35 -17.474 -17.245 7.178 1.00 0.00 H ATOM 343 H THR A 35 -14.834 -14.198 9.390 1.00 0.00 H ATOM 344 N GLU A 36 -15.144 -13.426 6.879 1.00 56.51 N ATOM 345 CA GLU A 36 -15.059 -12.477 5.749 1.00 49.36 C ATOM 346 C GLU A 36 -14.414 -13.139 4.550 1.00 40.20 C ATOM 347 O GLU A 36 -13.496 -13.923 4.721 1.00 43.92 O ATOM 348 CB GLU A 36 -14.192 -11.311 6.162 1.00 48.85 C ATOM 349 CG GLU A 36 -14.852 -10.344 7.125 1.00 54.10 C ATOM 350 CD GLU A 36 -14.042 -9.055 7.250 1.00 59.67 C ATOM 351 OE1 GLU A 36 -13.146 -8.793 6.409 1.00 70.65 O ATOM 352 OE2 GLU A 36 -14.288 -8.287 8.194 1.00 70.90 O ATOM 353 H GLU A 36 -14.633 -13.202 7.757 1.00 0.00 H ATOM 354 N ASP A 37 -14.852 -12.866 3.339 1.00 42.71 N ATOM 355 CA ASP A 37 -14.153 -13.437 2.194 1.00 39.35 C ATOM 356 C ASP A 37 -12.874 -12.630 1.975 1.00 50.10 C ATOM 357 O ASP A 37 -12.730 -11.878 0.989 1.00 51.50 O ATOM 358 CB ASP A 37 -15.022 -13.552 0.955 1.00 35.35 C ATOM 359 CG ASP A 37 -14.341 -14.425 -0.142 1.00 44.90 C ATOM 360 OD1 ASP A 37 -13.070 -14.540 -0.176 1.00 40.19 O ATOM 361 OD2 ASP A 37 -15.059 -15.051 -0.943 1.00 46.27 O ATOM 362 H ASP A 37 -15.682 -12.254 3.202 1.00 0.00 H ATOM 363 N LEU A 38 -11.923 -12.822 2.907 1.00 54.02 N ATOM 364 CA LEU A 38 -10.671 -12.073 2.933 1.00 50.79 C ATOM 365 C LEU A 38 -10.026 -12.253 1.610 1.00 39.95 C ATOM 366 O LEU A 38 -9.018 -11.613 1.349 1.00 45.84 O ATOM 367 CB LEU A 38 -9.699 -12.545 4.064 1.00 50.17 C ATOM 368 CG LEU A 38 -9.996 -12.065 5.487 1.00 49.05 C ATOM 369 CD1 LEU A 38 -9.242 -12.864 6.541 1.00 48.97 C ATOM 370 CD2 LEU A 38 -9.681 -10.591 5.672 1.00 54.36 C ATOM 371 H LEU A 38 -12.088 -13.538 3.643 1.00 0.00 H ATOM 372 N SER A 39 -10.584 -13.145 0.781 1.00 38.25 N ATOM 373 CA SER A 39 -10.121 -13.396 -0.596 1.00 34.36 C ATOM 374 C SER A 39 -10.507 -12.339 -1.683 1.00 32.79 C ATOM 375 O SER A 39 -10.026 -12.372 -2.811 1.00 34.08 O ATOM 376 CB SER A 39 -10.718 -14.693 -1.098 1.00 38.64 C ATOM 377 OG SER A 39 -10.541 -14.775 -2.511 1.00 45.55 O ATOM 378 HG SER A 39 -10.996 -14.010 -2.944 1.00 0.00 H ATOM 379 H SER A 39 -11.395 -13.695 1.131 1.00 0.00 H ATOM 380 N VAL A 40 -11.380 -11.443 -1.336 1.00 33.04 N ATOM 381 CA VAL A 40 -11.925 -10.464 -2.301 1.00 39.74 C ATOM 382 C VAL A 40 -10.882 -9.411 -2.658 1.00 36.44 C ATOM 383 O VAL A 40 -10.393 -8.699 -1.741 1.00 34.81 O ATOM 384 CB VAL A 40 -13.130 -9.714 -1.675 1.00 38.26 C ATOM 385 CG1 VAL A 40 -13.520 -8.488 -2.529 1.00 44.17 C ATOM 386 CG2 VAL A 40 -14.312 -10.662 -1.526 1.00 42.71 C ATOM 387 H VAL A 40 -11.706 -11.413 -0.349 1.00 0.00 H ATOM 388 N PRO A 41 -10.571 -9.276 -3.951 1.00 39.26 N ATOM 389 CA PRO A 41 -9.600 -8.275 -4.377 1.00 42.87 C ATOM 390 C PRO A 41 -10.120 -6.823 -4.300 1.00 41.35 C ATOM 391 O PRO A 41 -11.268 -6.570 -3.955 1.00 42.66 O ATOM 392 CB PRO A 41 -9.322 -8.672 -5.825 1.00 42.82 C ATOM 393 CG PRO A 41 -10.651 -9.191 -6.285 1.00 41.54 C ATOM 394 CD PRO A 41 -11.250 -9.898 -5.112 1.00 43.79 C ATOM 395 N GLY A 42 -9.251 -5.871 -4.599 1.00 44.11 N ATOM 396 CA GLY A 42 -9.662 -4.459 -4.664 1.00 40.12 C ATOM 397 C GLY A 42 -9.894 -3.742 -3.349 1.00 40.69 C ATOM 398 O GLY A 42 -10.300 -2.589 -3.366 1.00 37.33 O ATOM 399 H GLY A 42 -8.261 -6.125 -4.791 1.00 0.00 H ATOM 400 N VAL A 43 -9.629 -4.380 -2.204 1.00 36.13 N ATOM 401 CA VAL A 43 -9.949 -3.790 -0.904 1.00 36.69 C ATOM 402 C VAL A 43 -8.793 -4.157 0.025 1.00 35.28 C ATOM 403 O VAL A 43 -8.256 -5.257 -0.108 1.00 36.69 O ATOM 404 CB VAL A 43 -11.287 -4.374 -0.397 1.00 45.29 C ATOM 405 CG1 VAL A 43 -11.659 -3.883 0.988 1.00 45.49 C ATOM 406 CG2 VAL A 43 -12.420 -4.082 -1.375 1.00 52.49 C ATOM 407 H VAL A 43 -9.184 -5.319 -2.239 1.00 0.00 H ATOM 408 N GLU A 44 -8.380 -3.274 0.941 1.00 33.43 N ATOM 409 CA GLU A 44 -7.433 -3.680 1.984 1.00 35.46 C ATOM 410 C GLU A 44 -8.183 -4.229 3.192 1.00 36.22 C ATOM 411 O GLU A 44 -8.647 -3.505 4.014 1.00 39.35 O ATOM 412 CB GLU A 44 -6.513 -2.556 2.448 1.00 38.77 C ATOM 413 CG GLU A 44 -5.416 -3.060 3.422 1.00 36.72 C ATOM 414 CD GLU A 44 -4.448 -1.955 3.808 1.00 38.63 C ATOM 415 OE1 GLU A 44 -3.472 -1.753 3.081 1.00 35.66 O ATOM 416 OE2 GLU A 44 -4.640 -1.325 4.860 1.00 32.66 O ATOM 417 H GLU A 44 -8.732 -2.296 0.913 1.00 0.00 H ATOM 418 N HIS A 45 -8.308 -5.532 3.289 1.00 33.76 N ATOM 419 CA HIS A 45 -8.900 -6.104 4.477 1.00 30.29 C ATOM 420 C HIS A 45 -7.976 -5.862 5.644 1.00 30.89 C ATOM 421 O HIS A 45 -6.742 -5.581 5.466 1.00 27.17 O ATOM 422 CB HIS A 45 -9.072 -7.592 4.284 1.00 28.91 C ATOM 423 CG HIS A 45 -9.706 -7.968 2.988 1.00 27.28 C ATOM 424 ND1 HIS A 45 -11.059 -7.870 2.768 1.00 28.54 N ATOM 425 CD2 HIS A 45 -9.176 -8.454 1.852 1.00 27.85 C ATOM 426 CE1 HIS A 45 -11.333 -8.281 1.550 1.00 25.66 C ATOM 427 NE2 HIS A 45 -10.200 -8.641 0.976 1.00 27.28 N ATOM 428 H HIS A 45 -7.983 -6.148 2.517 1.00 0.00 H ATOM 429 N GLU A 46 -8.554 -6.015 6.842 1.00 34.37 N ATOM 430 CA GLU A 46 -7.797 -6.018 8.121 1.00 36.01 C ATOM 431 C GLU A 46 -8.074 -7.253 8.960 1.00 38.71 C ATOM 432 O GLU A 46 -9.171 -7.827 8.895 1.00 34.97 O ATOM 433 CB GLU A 46 -8.229 -4.885 9.014 1.00 39.75 C ATOM 434 CG GLU A 46 -8.255 -3.537 8.381 1.00 47.73 C ATOM 435 CD GLU A 46 -8.462 -2.471 9.423 1.00 54.02 C ATOM 436 OE1 GLU A 46 -9.250 -2.685 10.382 1.00 54.99 O ATOM 437 OE2 GLU A 46 -7.804 -1.441 9.290 1.00 62.50 O ATOM 438 H GLU A 46 -9.586 -6.138 6.879 1.00 0.00 H ATOM 439 N ALA A 47 -7.120 -7.590 9.822 1.00 32.39 N ATOM 440 CA ALA A 47 -7.308 -8.691 10.725 1.00 33.30 C ATOM 441 C ALA A 47 -6.555 -8.386 12.017 1.00 31.05 C ATOM 442 O ALA A 47 -5.402 -7.953 11.987 1.00 30.67 O ATOM 443 CB ALA A 47 -6.830 -10.004 10.098 1.00 35.69 C ATOM 444 H ALA A 47 -6.230 -7.052 9.843 1.00 0.00 H ATOM 445 N ARG A 48 -7.225 -8.592 13.139 1.00 30.33 N ATOM 446 CA ARG A 48 -6.569 -8.588 14.459 1.00 29.58 C ATOM 447 C ARG A 48 -6.353 -10.012 14.875 1.00 25.60 C ATOM 448 O ARG A 48 -7.288 -10.742 14.891 1.00 28.31 O ATOM 449 CB ARG A 48 -7.458 -7.922 15.507 1.00 33.25 C ATOM 450 CG ARG A 48 -7.250 -6.444 15.737 1.00 41.95 C ATOM 451 CD ARG A 48 -7.940 -5.573 14.721 1.00 49.78 C ATOM 452 NE ARG A 48 -9.262 -6.078 14.350 1.00 59.28 N ATOM 453 CZ ARG A 48 -9.964 -5.580 13.337 1.00 66.54 C ATOM 454 NH1 ARG A 48 -9.507 -4.527 12.636 1.00 66.99 N ATOM 455 NH2 ARG A 48 -11.123 -6.127 13.026 1.00 67.13 N ATOM 456 HE ARG A 48 -9.670 -6.859 14.902 1.00 0.00 H ATOM 457 HH12 ARG A 48 -10.066 -4.147 11.846 1.00 0.00 H ATOM 458 HH11 ARG A 48 -8.595 -4.093 12.884 1.00 0.00 H ATOM 459 HH22 ARG A 48 -11.682 -5.747 12.236 1.00 0.00 H ATOM 460 HH21 ARG A 48 -11.478 -6.938 13.571 1.00 0.00 H ATOM 461 H ARG A 48 -8.250 -8.763 13.088 1.00 0.00 H ATOM 462 N VAL A 49 -5.119 -10.387 15.168 1.00 26.70 N ATOM 463 CA VAL A 49 -4.757 -11.641 15.779 1.00 29.22 C ATOM 464 C VAL A 49 -4.133 -11.381 17.151 1.00 29.60 C ATOM 465 O VAL A 49 -3.363 -10.406 17.325 1.00 26.46 O ATOM 466 CB VAL A 49 -3.758 -12.464 14.927 1.00 32.24 C ATOM 467 CG1 VAL A 49 -4.252 -12.578 13.460 1.00 35.21 C ATOM 468 CG2 VAL A 49 -2.386 -11.853 14.953 1.00 35.52 C ATOM 469 H VAL A 49 -4.350 -9.725 14.940 1.00 0.00 H ATOM 470 N PRO A 50 -4.414 -12.267 18.093 1.00 26.72 N ATOM 471 CA PRO A 50 -3.751 -12.146 19.401 1.00 28.21 C ATOM 472 C PRO A 50 -2.251 -12.335 19.295 1.00 27.79 C ATOM 473 O PRO A 50 -1.791 -13.255 18.629 1.00 24.03 O ATOM 474 CB PRO A 50 -4.405 -13.222 20.264 1.00 26.98 C ATOM 475 CG PRO A 50 -5.104 -14.175 19.308 1.00 26.88 C ATOM 476 CD PRO A 50 -5.218 -13.498 17.956 1.00 27.72 C ATOM 477 N LYS A 51 -1.506 -11.434 19.946 1.00 22.51 N ATOM 478 CA LYS A 51 -0.073 -11.359 19.758 1.00 25.45 C ATOM 479 C LYS A 51 0.662 -12.602 20.249 1.00 22.15 C ATOM 480 O LYS A 51 1.722 -12.982 19.711 1.00 20.58 O ATOM 481 CB LYS A 51 0.499 -10.090 20.420 1.00 29.88 C ATOM 482 CG LYS A 51 0.208 -9.972 21.910 1.00 35.62 C ATOM 483 CD LYS A 51 1.016 -8.789 22.469 1.00 41.76 C ATOM 484 CE LYS A 51 0.525 -8.329 23.826 1.00 45.08 C ATOM 485 NZ LYS A 51 1.529 -7.373 24.400 1.00 49.83 N ATOM 486 HZ1 LYS A 51 2.446 -7.853 24.499 1.00 0.00 H ATOM 487 HZ2 LYS A 51 1.631 -6.556 23.764 1.00 0.00 H ATOM 488 HZ3 LYS A 51 1.203 -7.049 25.333 1.00 0.00 H ATOM 489 H LYS A 51 -1.967 -10.772 20.602 1.00 0.00 H ATOM 490 N LYS A 52 0.052 -13.308 21.178 1.00 25.08 N ATOM 491 CA LYS A 52 0.622 -14.570 21.632 1.00 30.14 C ATOM 492 C LYS A 52 0.693 -15.628 20.533 1.00 26.11 C ATOM 493 O LYS A 52 1.404 -16.603 20.709 1.00 28.97 O ATOM 494 CB LYS A 52 -0.116 -15.147 22.835 1.00 32.68 C ATOM 495 CG LYS A 52 -1.515 -15.694 22.583 1.00 38.54 C ATOM 496 CD LYS A 52 -2.219 -15.720 23.926 1.00 44.67 C ATOM 497 CE LYS A 52 -3.283 -16.775 24.026 1.00 47.71 C ATOM 498 NZ LYS A 52 -4.186 -16.627 22.864 1.00 54.31 N ATOM 499 HZ1 LYS A 52 -4.616 -15.680 22.879 1.00 0.00 H ATOM 500 HZ2 LYS A 52 -3.642 -16.748 21.986 1.00 0.00 H ATOM 501 HZ3 LYS A 52 -4.933 -17.349 22.913 1.00 0.00 H ATOM 502 H LYS A 52 -0.839 -12.964 21.589 1.00 0.00 H ATOM 503 N ILE A 53 0.041 -15.405 19.391 1.00 25.45 N ATOM 504 CA ILE A 53 0.241 -16.268 18.231 1.00 25.10 C ATOM 505 C ILE A 53 1.686 -16.355 17.859 1.00 26.48 C ATOM 506 O ILE A 53 2.198 -17.425 17.458 1.00 29.78 O ATOM 507 CB ILE A 53 -0.659 -15.843 17.008 1.00 26.64 C ATOM 508 CG1 ILE A 53 -0.858 -17.070 16.072 1.00 28.42 C ATOM 509 CG2 ILE A 53 -0.058 -14.669 16.233 1.00 27.20 C ATOM 510 CD1 ILE A 53 -2.021 -16.899 15.134 1.00 27.89 C ATOM 511 H ILE A 53 -0.620 -14.604 19.326 1.00 0.00 H ATOM 512 N LEU A 54 2.401 -15.243 18.051 1.00 27.32 N ATOM 513 CA LEU A 54 3.833 -15.202 17.787 1.00 30.10 C ATOM 514 C LEU A 54 4.670 -16.119 18.656 1.00 31.52 C ATOM 515 O LEU A 54 5.830 -16.358 18.327 1.00 28.45 O ATOM 516 CB LEU A 54 4.372 -13.759 17.875 1.00 31.22 C ATOM 517 CG LEU A 54 3.887 -12.900 16.693 1.00 29.14 C ATOM 518 CD1 LEU A 54 4.043 -11.400 17.017 1.00 33.07 C ATOM 519 CD2 LEU A 54 4.617 -13.272 15.399 1.00 29.50 C ATOM 520 H LEU A 54 1.924 -14.386 18.397 1.00 0.00 H ATOM 521 N LYS A 55 4.102 -16.645 19.739 1.00 30.49 N ATOM 522 CA LYS A 55 4.820 -17.577 20.588 1.00 30.08 C ATOM 523 C LYS A 55 4.595 -19.041 20.217 1.00 28.38 C ATOM 524 O LYS A 55 5.249 -19.883 20.764 1.00 27.57 O ATOM 525 CB LYS A 55 4.396 -17.394 22.077 1.00 33.87 C ATOM 526 CG LYS A 55 4.773 -16.078 22.717 1.00 37.02 C ATOM 527 CD LYS A 55 6.265 -15.773 22.578 1.00 45.28 C ATOM 528 CE LYS A 55 6.638 -14.367 23.085 1.00 51.86 C ATOM 529 NZ LYS A 55 6.710 -13.344 21.980 1.00 53.64 N ATOM 530 HZ1 LYS A 55 7.431 -13.633 21.288 1.00 0.00 H ATOM 531 HZ2 LYS A 55 5.784 -13.277 21.511 1.00 0.00 H ATOM 532 HZ3 LYS A 55 6.965 -12.419 22.382 1.00 0.00 H ATOM 533 H LYS A 55 3.125 -16.383 19.981 1.00 0.00 H ATOM 534 N CYS A 56 3.661 -19.353 19.327 1.00 26.80 N ATOM 535 CA CYS A 56 3.458 -20.742 18.932 1.00 28.21 C ATOM 536 C CYS A 56 4.637 -21.301 18.145 1.00 28.70 C ATOM 537 O CYS A 56 5.197 -20.635 17.280 1.00 26.36 O ATOM 538 CB CYS A 56 2.229 -20.864 18.049 1.00 27.76 C ATOM 539 SG CYS A 56 0.778 -20.183 18.794 1.00 33.83 S ATOM 540 H CYS A 56 3.072 -18.604 18.910 1.00 0.00 H ATOM 541 N LYS A 57 4.919 -22.571 18.360 1.00 28.76 N ATOM 542 CA LYS A 57 5.909 -23.280 17.590 1.00 32.91 C ATOM 543 C LYS A 57 5.373 -23.567 16.178 1.00 28.79 C ATOM 544 O LYS A 57 6.140 -23.527 15.227 1.00 31.24 O ATOM 545 CB LYS A 57 6.322 -24.563 18.306 1.00 40.65 C ATOM 546 CG LYS A 57 7.170 -24.293 19.550 1.00 52.42 C ATOM 547 CD LYS A 57 7.022 -25.393 20.606 1.00 60.42 C ATOM 548 CE LYS A 57 7.086 -26.811 20.028 1.00 65.69 C ATOM 549 NZ LYS A 57 8.251 -27.066 19.117 1.00 72.62 N ATOM 550 HZ1 LYS A 57 8.207 -26.413 18.309 1.00 0.00 H ATOM 551 HZ2 LYS A 57 9.138 -26.914 19.639 1.00 0.00 H ATOM 552 HZ3 LYS A 57 8.213 -28.047 18.774 1.00 0.00 H ATOM 553 H LYS A 57 4.409 -23.078 19.111 1.00 0.00 H ATOM 554 N ALA A 58 4.069 -23.820 16.055 1.00 32.47 N ATOM 555 CA ALA A 58 3.422 -24.013 14.737 1.00 27.44 C ATOM 556 C ALA A 58 1.984 -23.654 14.874 1.00 26.74 C ATOM 557 O ALA A 58 1.390 -23.714 15.978 1.00 25.94 O ATOM 558 CB ALA A 58 3.602 -25.444 14.221 1.00 28.66 C ATOM 559 H ALA A 58 3.487 -23.884 16.914 1.00 0.00 H ATOM 560 N VAL A 59 1.412 -23.213 13.753 1.00 22.91 N ATOM 561 CA VAL A 59 0.026 -22.791 13.715 1.00 21.74 C ATOM 562 C VAL A 59 -0.635 -23.602 12.595 1.00 22.02 C ATOM 563 O VAL A 59 -0.101 -23.671 11.535 1.00 21.28 O ATOM 564 CB VAL A 59 -0.086 -21.304 13.423 1.00 22.87 C ATOM 565 CG1 VAL A 59 -1.516 -20.925 13.119 1.00 24.65 C ATOM 566 CG2 VAL A 59 0.445 -20.436 14.614 1.00 24.69 C ATOM 567 H VAL A 59 1.977 -23.171 12.881 1.00 0.00 H ATOM 568 N SER A 60 -1.781 -24.213 12.876 1.00 20.81 N ATOM 569 CA SER A 60 -2.566 -24.948 11.874 1.00 21.19 C ATOM 570 C SER A 60 -3.548 -23.951 11.291 1.00 20.65 C ATOM 571 O SER A 60 -4.377 -23.389 12.005 1.00 20.33 O ATOM 572 CB SER A 60 -3.261 -26.187 12.464 1.00 20.17 C ATOM 573 OG SER A 60 -4.181 -26.752 11.524 1.00 19.74 O ATOM 574 HG SER A 60 -4.870 -26.079 11.293 1.00 0.00 H ATOM 575 H SER A 60 -2.140 -24.169 13.851 1.00 0.00 H ATOM 576 N ARG A 61 -3.342 -23.587 10.027 1.00 18.25 N ATOM 577 CA ARG A 61 -4.366 -22.819 9.295 1.00 19.01 C ATOM 578 C ARG A 61 -5.363 -23.689 8.554 1.00 20.31 C ATOM 579 O ARG A 61 -4.953 -24.562 7.740 1.00 20.95 O ATOM 580 CB ARG A 61 -3.663 -21.915 8.297 1.00 20.20 C ATOM 581 CG ARG A 61 -4.630 -20.918 7.650 1.00 23.79 C ATOM 582 CD ARG A 61 -3.931 -20.019 6.619 1.00 25.75 C ATOM 583 NE ARG A 61 -3.494 -20.776 5.462 1.00 28.22 N ATOM 584 CZ ARG A 61 -2.570 -20.354 4.593 1.00 33.26 C ATOM 585 NH1 ARG A 61 -1.956 -19.199 4.774 1.00 32.05 N ATOM 586 NH2 ARG A 61 -2.238 -21.119 3.560 1.00 34.46 N ATOM 587 HE ARG A 61 -3.927 -21.707 5.298 1.00 0.00 H ATOM 588 HH12 ARG A 61 -1.239 -18.879 4.092 1.00 0.00 H ATOM 589 HH11 ARG A 61 -2.190 -18.609 5.598 1.00 0.00 H ATOM 590 HH22 ARG A 61 -1.520 -20.794 2.882 1.00 0.00 H ATOM 591 HH21 ARG A 61 -2.696 -22.043 3.429 1.00 0.00 H ATOM 592 H ARG A 61 -2.453 -23.846 9.553 1.00 0.00 H ATOM 593 N GLU A 62 -6.651 -23.491 8.812 1.00 18.87 N ATOM 594 CA GLU A 62 -7.704 -24.293 8.223 1.00 20.07 C ATOM 595 C GLU A 62 -8.578 -23.350 7.412 1.00 22.25 C ATOM 596 O GLU A 62 -9.090 -22.384 7.971 1.00 21.55 O ATOM 597 CB GLU A 62 -8.515 -25.043 9.333 1.00 22.78 C ATOM 598 CG GLU A 62 -7.703 -26.048 10.146 1.00 27.92 C ATOM 599 CD GLU A 62 -7.960 -26.076 11.690 1.00 27.08 C ATOM 600 OE1 GLU A 62 -6.976 -26.390 12.436 1.00 24.54 O ATOM 601 OE2 GLU A 62 -9.120 -25.811 12.131 1.00 28.92 O ATOM 602 H GLU A 62 -6.915 -22.726 9.466 1.00 0.00 H ATOM 603 N LEU A 63 -8.757 -23.604 6.110 1.00 22.44 N ATOM 604 CA LEU A 63 -9.510 -22.703 5.182 1.00 24.72 C ATOM 605 C LEU A 63 -10.637 -23.503 4.558 1.00 24.96 C ATOM 606 O LEU A 63 -10.406 -24.593 4.064 1.00 29.61 O ATOM 607 CB LEU A 63 -8.576 -22.278 4.059 1.00 28.74 C ATOM 608 CG LEU A 63 -7.876 -20.949 3.911 1.00 35.17 C ATOM 609 CD1 LEU A 63 -7.235 -20.608 5.235 1.00 43.04 C ATOM 610 CD2 LEU A 63 -6.809 -20.917 2.816 1.00 35.33 C ATOM 611 H LEU A 63 -8.349 -24.478 5.721 1.00 0.00 H ATOM 612 N ASN A 64 -11.857 -23.029 4.560 1.00 21.02 N ATOM 613 CA ASN A 64 -12.917 -23.816 3.980 1.00 21.38 C ATOM 614 C ASN A 64 -13.445 -22.921 2.874 1.00 24.20 C ATOM 615 O ASN A 64 -13.672 -21.739 3.101 1.00 20.27 O ATOM 616 CB ASN A 64 -13.965 -24.202 5.047 1.00 22.46 C ATOM 617 CG ASN A 64 -15.149 -24.974 4.487 1.00 22.29 C ATOM 618 OD1 ASN A 64 -16.038 -24.401 3.934 1.00 24.33 O ATOM 619 ND2 ASN A 64 -15.145 -26.273 4.634 1.00 21.65 N ATOM 620 HD22 ASN A 64 -14.353 -26.739 5.122 1.00 0.00 H ATOM 621 HD21 ASN A 64 -15.934 -26.841 4.263 1.00 0.00 H ATOM 622 H ASN A 64 -12.059 -22.097 4.975 1.00 0.00 H ATOM 623 N PHE A 65 -13.515 -23.470 1.662 1.00 23.86 N ATOM 624 CA PHE A 65 -13.765 -22.684 0.450 1.00 23.66 C ATOM 625 C PHE A 65 -14.744 -23.486 -0.466 1.00 26.72 C ATOM 626 O PHE A 65 -14.801 -24.733 -0.446 1.00 24.48 O ATOM 627 CB PHE A 65 -12.423 -22.283 -0.240 1.00 21.92 C ATOM 628 CG PHE A 65 -11.699 -23.443 -0.913 1.00 23.13 C ATOM 629 CD1 PHE A 65 -11.976 -23.780 -2.254 1.00 23.20 C ATOM 630 CD2 PHE A 65 -10.718 -24.127 -0.266 1.00 21.93 C ATOM 631 CE1 PHE A 65 -11.360 -24.863 -2.857 1.00 22.95 C ATOM 632 CE2 PHE A 65 -10.040 -25.202 -0.892 1.00 25.99 C ATOM 633 CZ PHE A 65 -10.370 -25.568 -2.181 1.00 23.00 C ATOM 634 H PHE A 65 -13.387 -24.498 1.572 1.00 0.00 H ATOM 635 N SER A 66 -15.535 -22.753 -1.226 1.00 31.19 N ATOM 636 CA SER A 66 -16.406 -23.297 -2.260 1.00 32.48 C ATOM 637 C SER A 66 -15.958 -22.717 -3.593 1.00 30.17 C ATOM 638 O SER A 66 -15.377 -21.623 -3.625 1.00 28.57 O ATOM 639 CB SER A 66 -17.859 -22.864 -2.015 1.00 33.63 C ATOM 640 OG SER A 66 -18.234 -23.185 -0.691 1.00 36.58 O ATOM 641 HG SER A 66 -17.638 -22.712 -0.057 1.00 0.00 H ATOM 642 H SER A 66 -15.537 -21.724 -1.078 1.00 0.00 H ATOM 643 N SER A 67 -16.211 -23.479 -4.666 1.00 32.08 N ATOM 644 CA SER A 67 -15.852 -23.120 -6.050 1.00 30.12 C ATOM 645 C SER A 67 -16.886 -23.806 -6.953 1.00 29.52 C ATOM 646 O SER A 67 -16.943 -25.049 -7.046 1.00 28.37 O ATOM 647 CB SER A 67 -14.450 -23.646 -6.412 1.00 30.50 C ATOM 648 OG SER A 67 -13.921 -23.172 -7.662 1.00 25.79 O ATOM 649 HG SER A 67 -14.523 -23.445 -8.399 1.00 0.00 H ATOM 650 H SER A 67 -16.694 -24.387 -4.512 1.00 0.00 H ATOM 651 N THR A 68 -17.663 -23.001 -7.662 1.00 29.54 N ATOM 652 CA THR A 68 -18.546 -23.529 -8.711 1.00 28.79 C ATOM 653 C THR A 68 -17.733 -24.074 -9.867 1.00 26.05 C ATOM 654 O THR A 68 -17.994 -25.198 -10.331 1.00 26.91 O ATOM 655 CB THR A 68 -19.585 -22.486 -9.182 1.00 35.56 C ATOM 656 OG1 THR A 68 -18.912 -21.420 -9.829 1.00 38.14 O ATOM 657 CG2 THR A 68 -20.386 -21.924 -7.971 1.00 37.01 C ATOM 658 HG1 THR A 68 -18.414 -21.771 -10.610 1.00 0.00 H ATOM 659 H THR A 68 -17.648 -21.978 -7.473 1.00 0.00 H ATOM 660 N GLU A 69 -16.674 -23.358 -10.240 1.00 28.47 N ATOM 661 CA GLU A 69 -15.728 -23.780 -11.281 1.00 27.28 C ATOM 662 C GLU A 69 -14.665 -24.797 -10.845 1.00 31.29 C ATOM 663 O GLU A 69 -14.049 -24.683 -9.783 1.00 31.77 O ATOM 664 CB GLU A 69 -14.976 -22.597 -11.852 1.00 27.15 C ATOM 665 CG GLU A 69 -15.849 -21.451 -12.307 1.00 28.97 C ATOM 666 CD GLU A 69 -16.873 -21.945 -13.325 1.00 30.78 C ATOM 667 OE1 GLU A 69 -16.436 -22.419 -14.387 1.00 31.34 O ATOM 668 OE2 GLU A 69 -18.062 -21.989 -12.975 1.00 38.47 O ATOM 669 H GLU A 69 -16.507 -22.447 -9.767 1.00 0.00 H ATOM 670 N GLN A 70 -14.376 -25.738 -11.737 1.00 27.10 N ATOM 671 CA GLN A 70 -13.268 -26.666 -11.512 1.00 24.43 C ATOM 672 C GLN A 70 -11.967 -25.917 -11.550 1.00 22.72 C ATOM 673 O GLN A 70 -11.858 -24.917 -12.270 1.00 23.20 O ATOM 674 CB GLN A 70 -13.300 -27.720 -12.576 1.00 24.19 C ATOM 675 CG GLN A 70 -12.098 -28.674 -12.694 1.00 23.16 C ATOM 676 CD GLN A 70 -12.423 -29.777 -13.724 1.00 20.71 C ATOM 677 OE1 GLN A 70 -13.476 -30.454 -13.623 1.00 21.21 O ATOM 678 NE2 GLN A 70 -11.528 -30.006 -14.642 1.00 18.59 N ATOM 679 HE22 GLN A 70 -10.670 -29.420 -14.689 1.00 0.00 H ATOM 680 HE21 GLN A 70 -11.671 -30.775 -15.328 1.00 0.00 H ATOM 681 H GLN A 70 -14.944 -25.816 -12.605 1.00 0.00 H ATOM 682 N MET A 71 -10.980 -26.399 -10.816 1.00 20.08 N ATOM 683 CA MET A 71 -9.638 -25.918 -10.986 1.00 21.44 C ATOM 684 C MET A 71 -8.721 -27.044 -11.080 1.00 19.92 C ATOM 685 O MET A 71 -8.908 -28.068 -10.396 1.00 21.45 O ATOM 686 CB MET A 71 -9.189 -25.013 -9.857 1.00 22.82 C ATOM 687 CG MET A 71 -10.027 -23.771 -9.697 1.00 24.08 C ATOM 688 SD MET A 71 -9.374 -22.629 -8.426 1.00 31.26 S ATOM 689 CE MET A 71 -10.448 -23.022 -7.091 1.00 27.07 C ATOM 690 H MET A 71 -11.177 -27.135 -10.108 1.00 0.00 H ATOM 691 N GLU A 72 -7.740 -26.913 -11.962 1.00 23.01 N ATOM 692 CA GLU A 72 -6.796 -28.028 -12.252 1.00 23.88 C ATOM 693 C GLU A 72 -5.793 -28.141 -11.114 1.00 26.89 C ATOM 694 O GLU A 72 -5.479 -29.237 -10.676 1.00 22.13 O ATOM 695 CB GLU A 72 -6.041 -27.793 -13.581 1.00 26.54 C ATOM 696 CG GLU A 72 -6.991 -27.576 -14.765 1.00 28.69 C ATOM 697 CD GLU A 72 -7.979 -28.709 -14.922 1.00 29.34 C ATOM 698 OE1 GLU A 72 -7.507 -29.870 -14.849 1.00 27.84 O ATOM 699 OE2 GLU A 72 -9.209 -28.436 -15.094 1.00 29.17 O ATOM 700 H GLU A 72 -7.627 -26.009 -12.464 1.00 0.00 H ATOM 701 N LYS A 73 -5.316 -26.979 -10.634 1.00 29.36 N ATOM 702 CA LYS A 73 -4.279 -26.946 -9.583 1.00 30.61 C ATOM 703 C LYS A 73 -4.371 -25.655 -8.822 1.00 27.06 C ATOM 704 O LYS A 73 -3.586 -24.730 -9.055 1.00 25.99 O ATOM 705 CB LYS A 73 -2.900 -27.072 -10.178 1.00 36.06 C ATOM 706 CG LYS A 73 -1.781 -27.244 -9.159 1.00 37.85 C ATOM 707 CD LYS A 73 -0.483 -27.590 -9.883 1.00 44.81 C ATOM 708 CE LYS A 73 -0.552 -29.014 -10.432 1.00 49.50 C ATOM 709 NZ LYS A 73 0.767 -29.619 -10.777 1.00 54.85 N ATOM 710 HZ1 LYS A 73 1.233 -29.040 -11.504 1.00 0.00 H ATOM 711 HZ2 LYS A 73 1.364 -29.655 -9.926 1.00 0.00 H ATOM 712 HZ3 LYS A 73 0.621 -30.582 -11.140 1.00 0.00 H ATOM 713 H LYS A 73 -5.686 -26.083 -11.011 1.00 0.00 H ATOM 714 N PHE A 74 -5.317 -25.612 -7.889 1.00 21.75 N ATOM 715 CA PHE A 74 -5.547 -24.467 -7.068 1.00 22.00 C ATOM 716 C PHE A 74 -4.357 -24.319 -6.111 1.00 21.61 C ATOM 717 O PHE A 74 -3.866 -25.298 -5.538 1.00 19.06 O ATOM 718 CB PHE A 74 -6.865 -24.651 -6.328 1.00 23.69 C ATOM 719 CG PHE A 74 -7.174 -23.583 -5.322 1.00 22.80 C ATOM 720 CD1 PHE A 74 -6.942 -22.228 -5.594 1.00 24.33 C ATOM 721 CD2 PHE A 74 -7.706 -23.926 -4.097 1.00 22.82 C ATOM 722 CE1 PHE A 74 -7.242 -21.256 -4.651 1.00 24.27 C ATOM 723 CE2 PHE A 74 -8.016 -22.940 -3.149 1.00 25.53 C ATOM 724 CZ PHE A 74 -7.801 -21.604 -3.426 1.00 23.18 C ATOM 725 H PHE A 74 -5.917 -26.450 -7.751 1.00 0.00 H ATOM 726 N ARG A 75 -3.836 -23.122 -6.025 1.00 22.52 N ATOM 727 CA ARG A 75 -2.677 -22.902 -5.171 1.00 23.64 C ATOM 728 C ARG A 75 -2.622 -21.444 -4.813 1.00 24.30 C ATOM 729 O ARG A 75 -3.299 -20.602 -5.467 1.00 24.07 O ATOM 730 CB ARG A 75 -1.400 -23.359 -5.892 1.00 23.28 C ATOM 731 CG ARG A 75 -1.006 -22.443 -7.050 1.00 24.00 C ATOM 732 CD ARG A 75 0.152 -23.004 -7.870 1.00 25.80 C ATOM 733 NE ARG A 75 0.448 -22.063 -8.932 1.00 28.96 N ATOM 734 CZ ARG A 75 1.340 -21.071 -8.839 1.00 34.94 C ATOM 735 NH1 ARG A 75 2.063 -20.885 -7.726 1.00 32.87 N ATOM 736 NH2 ARG A 75 1.509 -20.252 -9.865 1.00 31.36 N ATOM 737 HE ARG A 75 -0.069 -22.166 -9.828 1.00 0.00 H ATOM 738 HH12 ARG A 75 2.751 -20.107 -7.677 1.00 0.00 H ATOM 739 HH11 ARG A 75 1.936 -21.519 -6.911 1.00 0.00 H ATOM 740 HH22 ARG A 75 2.200 -19.477 -9.804 1.00 0.00 H ATOM 741 HH21 ARG A 75 0.951 -20.383 -10.733 1.00 0.00 H ATOM 742 H ARG A 75 -4.247 -22.333 -6.563 1.00 0.00 H ATOM 743 N LEU A 76 -1.871 -21.145 -3.749 1.00 25.61 N ATOM 744 CA LEU A 76 -1.643 -19.740 -3.327 1.00 24.87 C ATOM 745 C LEU A 76 -0.175 -19.384 -3.262 1.00 26.36 C ATOM 746 O LEU A 76 0.700 -20.226 -2.917 1.00 24.64 O ATOM 747 CB LEU A 76 -2.227 -19.489 -1.922 1.00 26.67 C ATOM 748 CG LEU A 76 -3.624 -19.923 -1.676 1.00 23.65 C ATOM 749 CD1 LEU A 76 -3.988 -19.754 -0.233 1.00 26.53 C ATOM 750 CD2 LEU A 76 -4.573 -19.104 -2.516 1.00 24.50 C ATOM 751 H LEU A 76 -1.435 -21.916 -3.203 1.00 0.00 H ATOM 752 N GLU A 77 0.110 -18.124 -3.572 1.00 26.64 N ATOM 753 CA GLU A 77 1.407 -17.560 -3.226 1.00 29.41 C ATOM 754 C GLU A 77 1.151 -16.348 -2.333 1.00 27.51 C ATOM 755 O GLU A 77 0.327 -15.462 -2.651 1.00 27.35 O ATOM 756 CB GLU A 77 2.179 -17.141 -4.468 1.00 33.39 C ATOM 757 CG GLU A 77 2.448 -18.276 -5.460 1.00 33.52 C ATOM 758 CD GLU A 77 3.160 -17.747 -6.704 1.00 41.92 C ATOM 759 OE1 GLU A 77 3.340 -16.497 -6.792 1.00 37.28 O ATOM 760 OE2 GLU A 77 3.531 -18.587 -7.572 1.00 40.18 O ATOM 761 H GLU A 77 -0.595 -17.539 -4.063 1.00 0.00 H ATOM 762 N GLN A 78 1.814 -16.344 -1.190 1.00 24.11 N ATOM 763 CA GLN A 78 1.550 -15.328 -0.197 1.00 26.20 C ATOM 764 C GLN A 78 2.874 -14.665 0.136 1.00 28.75 C ATOM 765 O GLN A 78 3.888 -15.367 0.451 1.00 28.61 O ATOM 766 CB GLN A 78 0.938 -15.918 1.067 1.00 26.52 C ATOM 767 CG GLN A 78 -0.488 -16.292 0.917 1.00 27.59 C ATOM 768 CD GLN A 78 -1.115 -16.899 2.160 1.00 30.40 C ATOM 769 OE1 GLN A 78 -0.555 -17.793 2.882 1.00 30.68 O ATOM 770 NE2 GLN A 78 -2.263 -16.426 2.419 1.00 28.24 N ATOM 771 HE22 GLN A 78 -2.677 -15.699 1.801 1.00 0.00 H ATOM 772 HE21 GLN A 78 -2.790 -16.765 3.249 1.00 0.00 H ATOM 773 H GLN A 78 2.529 -17.076 -1.004 1.00 0.00 H ATOM 774 N LYS A 79 2.873 -13.337 -0.030 1.00 27.34 N ATOM 775 CA LYS A 79 4.022 -12.520 0.369 1.00 31.94 C ATOM 776 C LYS A 79 3.672 -11.717 1.602 1.00 27.87 C ATOM 777 O LYS A 79 2.591 -11.163 1.718 1.00 28.80 O ATOM 778 CB LYS A 79 4.444 -11.611 -0.767 1.00 35.86 C ATOM 779 CG LYS A 79 5.506 -12.268 -1.637 1.00 41.94 C ATOM 780 CD LYS A 79 5.554 -11.602 -3.007 1.00 46.33 C ATOM 781 CE LYS A 79 6.627 -12.196 -3.923 1.00 50.64 C ATOM 782 NZ LYS A 79 7.283 -11.106 -4.723 1.00 52.44 N ATOM 783 HZ1 LYS A 79 6.567 -10.624 -5.303 1.00 0.00 H ATOM 784 HZ2 LYS A 79 7.725 -10.422 -4.077 1.00 0.00 H ATOM 785 HZ3 LYS A 79 8.009 -11.521 -5.341 1.00 0.00 H ATOM 786 H LYS A 79 2.041 -12.876 -0.450 1.00 0.00 H ATOM 787 N VAL A 80 4.599 -11.705 2.529 1.00 27.05 N ATOM 788 CA VAL A 80 4.407 -11.053 3.789 1.00 27.26 C ATOM 789 C VAL A 80 5.286 -9.814 3.707 1.00 28.89 C ATOM 790 O VAL A 80 6.512 -9.941 3.680 1.00 25.04 O ATOM 791 CB VAL A 80 4.897 -11.938 4.916 1.00 25.20 C ATOM 792 CG1 VAL A 80 4.777 -11.183 6.202 1.00 29.85 C ATOM 793 CG2 VAL A 80 4.098 -13.229 4.939 1.00 29.94 C ATOM 794 H VAL A 80 5.503 -12.185 2.343 1.00 0.00 H ATOM 795 N TYR A 81 4.635 -8.659 3.642 1.00 30.06 N ATOM 796 CA TYR A 81 5.291 -7.359 3.510 1.00 30.35 C ATOM 797 C TYR A 81 5.300 -6.643 4.839 1.00 32.46 C ATOM 798 O TYR A 81 4.296 -6.668 5.548 1.00 29.53 O ATOM 799 CB TYR A 81 4.547 -6.489 2.533 1.00 31.90 C ATOM 800 CG TYR A 81 4.777 -6.868 1.125 1.00 36.03 C ATOM 801 CD1 TYR A 81 5.983 -6.590 0.510 1.00 37.12 C ATOM 802 CD2 TYR A 81 3.791 -7.521 0.387 1.00 37.06 C ATOM 803 CE1 TYR A 81 6.213 -6.939 -0.803 1.00 41.63 C ATOM 804 CE2 TYR A 81 4.008 -7.860 -0.924 1.00 37.00 C ATOM 805 CZ TYR A 81 5.219 -7.575 -1.516 1.00 42.81 C ATOM 806 OH TYR A 81 5.453 -7.930 -2.818 1.00 45.61 O ATOM 807 HH TYR A 81 6.367 -7.650 -3.076 1.00 0.00 H ATOM 808 H TYR A 81 3.596 -8.680 3.688 1.00 0.00 H ATOM 809 N PHE A 82 6.427 -5.989 5.167 1.00 30.37 N ATOM 810 CA PHE A 82 6.527 -5.199 6.387 1.00 29.44 C ATOM 811 C PHE A 82 6.902 -3.785 5.999 1.00 32.20 C ATOM 812 O PHE A 82 7.995 -3.569 5.459 1.00 26.57 O ATOM 813 CB PHE A 82 7.584 -5.802 7.314 1.00 32.11 C ATOM 814 CG PHE A 82 7.850 -4.984 8.549 1.00 30.99 C ATOM 815 CD1 PHE A 82 8.832 -3.988 8.557 1.00 31.85 C ATOM 816 CD2 PHE A 82 7.103 -5.168 9.668 1.00 31.16 C ATOM 817 CE1 PHE A 82 9.029 -3.199 9.697 1.00 29.02 C ATOM 818 CE2 PHE A 82 7.296 -4.402 10.800 1.00 31.17 C ATOM 819 CZ PHE A 82 8.265 -3.404 10.812 1.00 27.15 C ATOM 820 H PHE A 82 7.250 -6.048 4.533 1.00 0.00 H ATOM 821 N LYS A 83 6.014 -2.810 6.237 1.00 34.09 N ATOM 822 CA LYS A 83 6.264 -1.460 5.706 1.00 33.46 C ATOM 823 C LYS A 83 6.691 -1.504 4.242 1.00 35.49 C ATOM 824 O LYS A 83 7.675 -0.864 3.846 1.00 34.30 O ATOM 825 CB LYS A 83 7.333 -0.757 6.534 1.00 29.21 C ATOM 826 CG LYS A 83 6.831 -0.576 7.968 1.00 35.16 C ATOM 827 CD LYS A 83 7.760 0.295 8.799 1.00 36.65 C ATOM 828 CE LYS A 83 7.256 0.507 10.234 1.00 38.54 C ATOM 829 NZ LYS A 83 8.370 0.979 11.107 1.00 37.26 N ATOM 830 HZ1 LYS A 83 9.129 0.268 11.114 1.00 0.00 H ATOM 831 HZ2 LYS A 83 8.740 1.879 10.739 1.00 0.00 H ATOM 832 HZ3 LYS A 83 8.015 1.118 12.075 1.00 0.00 H ATOM 833 H LYS A 83 5.156 -3.005 6.792 1.00 0.00 H ATOM 834 N GLY A 84 5.944 -2.254 3.444 1.00 32.03 N ATOM 835 CA GLY A 84 6.210 -2.362 2.018 1.00 33.53 C ATOM 836 C GLY A 84 7.439 -3.155 1.618 1.00 31.95 C ATOM 837 O GLY A 84 7.754 -3.197 0.448 1.00 34.34 O ATOM 838 H GLY A 84 5.144 -2.781 3.849 1.00 0.00 H ATOM 839 N GLN A 85 8.108 -3.812 2.563 1.00 35.57 N ATOM 840 CA GLN A 85 9.336 -4.566 2.308 1.00 41.24 C ATOM 841 C GLN A 85 9.095 -6.124 2.495 1.00 40.65 C ATOM 842 O GLN A 85 8.739 -6.594 3.591 1.00 32.89 O ATOM 843 CB GLN A 85 10.450 -3.945 3.200 1.00 53.57 C ATOM 844 CG GLN A 85 11.576 -4.834 3.740 1.00 60.02 C ATOM 845 CD GLN A 85 12.703 -5.065 2.743 1.00 71.49 C ATOM 846 OE1 GLN A 85 13.097 -6.204 2.495 1.00 81.38 O ATOM 847 NE2 GLN A 85 13.221 -3.989 2.161 1.00 71.59 N ATOM 848 HE22 GLN A 85 12.859 -3.044 2.399 1.00 0.00 H ATOM 849 HE21 GLN A 85 13.989 -4.092 1.467 1.00 0.00 H ATOM 850 H GLN A 85 7.738 -3.788 3.535 1.00 0.00 H ATOM 851 N CYS A 86 9.257 -6.905 1.418 1.00 39.49 N ATOM 852 CA CYS A 86 8.934 -8.345 1.454 1.00 37.15 C ATOM 853 C CYS A 86 9.879 -9.071 2.355 1.00 38.21 C ATOM 854 O CYS A 86 11.029 -9.170 2.009 1.00 40.82 O ATOM 855 CB CYS A 86 8.989 -9.013 0.075 1.00 42.83 C ATOM 856 SG CYS A 86 8.634 -10.806 0.138 1.00 42.07 S ATOM 857 H CYS A 86 9.618 -6.487 0.537 1.00 0.00 H ATOM 858 N LEU A 87 9.397 -9.589 3.502 1.00 33.37 N ATOM 859 CA LEU A 87 10.204 -10.407 4.389 1.00 32.19 C ATOM 860 C LEU A 87 10.163 -11.904 4.056 1.00 36.68 C ATOM 861 O LEU A 87 11.175 -12.586 4.236 1.00 38.99 O ATOM 862 CB LEU A 87 9.765 -10.206 5.835 1.00 33.52 C ATOM 863 CG LEU A 87 10.436 -9.139 6.693 1.00 36.16 C ATOM 864 CD1 LEU A 87 11.234 -8.099 5.912 1.00 40.55 C ATOM 865 CD2 LEU A 87 9.377 -8.495 7.546 1.00 40.71 C ATOM 866 H LEU A 87 8.409 -9.395 3.762 1.00 0.00 H ATOM 867 N GLU A 88 9.009 -12.414 3.612 1.00 32.97 N ATOM 868 CA GLU A 88 8.793 -13.857 3.457 1.00 34.14 C ATOM 869 C GLU A 88 7.967 -14.182 2.256 1.00 33.65 C ATOM 870 O GLU A 88 7.137 -13.388 1.856 1.00 27.07 O ATOM 871 CB GLU A 88 7.987 -14.375 4.618 1.00 41.12 C ATOM 872 CG GLU A 88 8.795 -14.969 5.711 1.00 45.39 C ATOM 873 CD GLU A 88 8.071 -14.937 7.027 1.00 42.12 C ATOM 874 OE1 GLU A 88 6.884 -15.297 7.110 1.00 38.34 O ATOM 875 OE2 GLU A 88 8.735 -14.558 7.994 1.00 52.19 O ATOM 876 H GLU A 88 8.236 -11.763 3.367 1.00 0.00 H ATOM 877 N GLU A 89 8.151 -15.393 1.733 1.00 35.18 N ATOM 878 CA GLU A 89 7.354 -15.854 0.607 1.00 37.15 C ATOM 879 C GLU A 89 6.940 -17.331 0.822 1.00 34.63 C ATOM 880 O GLU A 89 7.760 -18.169 1.098 1.00 36.07 O ATOM 881 CB GLU A 89 8.106 -15.727 -0.694 1.00 40.94 C ATOM 882 CG GLU A 89 7.192 -16.069 -1.856 1.00 44.29 C ATOM 883 CD GLU A 89 7.764 -15.655 -3.157 1.00 47.10 C ATOM 884 OE1 GLU A 89 9.014 -15.653 -3.271 1.00 54.82 O ATOM 885 OE2 GLU A 89 6.950 -15.348 -4.043 1.00 49.48 O ATOM 886 H GLU A 89 8.877 -16.019 2.136 1.00 0.00 H ATOM 887 N TRP A 90 5.647 -17.577 0.758 1.00 33.73 N ATOM 888 CA TRP A 90 5.038 -18.865 1.112 1.00 33.56 C ATOM 889 C TRP A 90 4.237 -19.340 -0.078 1.00 30.18 C ATOM 890 O TRP A 90 3.593 -18.529 -0.761 1.00 29.60 O ATOM 891 CB TRP A 90 4.123 -18.683 2.301 1.00 39.21 C ATOM 892 CG TRP A 90 4.864 -18.461 3.543 1.00 42.98 C ATOM 893 CD1 TRP A 90 5.284 -17.269 4.036 1.00 45.00 C ATOM 894 CD2 TRP A 90 5.282 -19.462 4.475 1.00 47.70 C ATOM 895 NE1 TRP A 90 5.927 -17.458 5.219 1.00 49.52 N ATOM 896 CE2 TRP A 90 5.956 -18.802 5.506 1.00 50.19 C ATOM 897 CE3 TRP A 90 5.144 -20.860 4.538 1.00 47.88 C ATOM 898 CZ2 TRP A 90 6.517 -19.489 6.586 1.00 55.81 C ATOM 899 CZ3 TRP A 90 5.710 -21.550 5.616 1.00 49.83 C ATOM 900 CH2 TRP A 90 6.381 -20.864 6.625 1.00 55.13 C ATOM 901 HE1 TRP A 90 6.332 -16.706 5.812 1.00 0.00 H ATOM 902 H TRP A 90 5.020 -16.812 0.437 1.00 0.00 H ATOM 903 N PHE A 91 4.312 -20.642 -0.345 1.00 31.18 N ATOM 904 CA PHE A 91 3.600 -21.262 -1.425 1.00 31.11 C ATOM 905 C PHE A 91 2.838 -22.427 -0.872 1.00 29.56 C ATOM 906 O PHE A 91 3.410 -23.235 -0.151 1.00 30.73 O ATOM 907 CB PHE A 91 4.565 -21.801 -2.451 1.00 37.18 C ATOM 908 CG PHE A 91 5.461 -20.769 -2.998 1.00 40.55 C ATOM 909 CD1 PHE A 91 6.638 -20.412 -2.305 1.00 41.21 C ATOM 910 CD2 PHE A 91 5.129 -20.113 -4.156 1.00 36.43 C ATOM 911 CE1 PHE A 91 7.467 -19.437 -2.820 1.00 38.16 C ATOM 912 CE2 PHE A 91 5.960 -19.148 -4.677 1.00 40.49 C ATOM 913 CZ PHE A 91 7.125 -18.820 -4.012 1.00 42.82 C ATOM 914 H PHE A 91 4.915 -21.238 0.258 1.00 0.00 H ATOM 915 N PHE A 92 1.561 -22.504 -1.234 1.00 26.58 N ATOM 916 CA PHE A 92 0.682 -23.576 -0.814 1.00 25.47 C ATOM 917 C PHE A 92 -0.075 -24.078 -2.030 1.00 22.72 C ATOM 918 O PHE A 92 -0.668 -23.277 -2.759 1.00 22.48 O ATOM 919 CB PHE A 92 -0.352 -23.122 0.235 1.00 24.56 C ATOM 920 CG PHE A 92 0.260 -22.549 1.462 1.00 26.22 C ATOM 921 CD1 PHE A 92 0.767 -23.370 2.443 1.00 24.22 C ATOM 922 CD2 PHE A 92 0.371 -21.170 1.603 1.00 25.78 C ATOM 923 CE1 PHE A 92 1.384 -22.822 3.560 1.00 26.43 C ATOM 924 CE2 PHE A 92 0.985 -20.629 2.717 1.00 27.44 C ATOM 925 CZ PHE A 92 1.463 -21.458 3.691 1.00 25.06 C ATOM 926 H PHE A 92 1.175 -21.759 -1.848 1.00 0.00 H ATOM 927 N GLU A 93 -0.148 -25.383 -2.121 1.00 22.66 N ATOM 928 CA GLU A 93 -0.843 -26.077 -3.206 1.00 27.50 C ATOM 929 C GLU A 93 -1.996 -26.927 -2.691 1.00 25.07 C ATOM 930 O GLU A 93 -1.775 -27.807 -1.881 1.00 25.68 O ATOM 931 CB GLU A 93 0.136 -26.969 -3.952 1.00 27.84 C ATOM 932 CG GLU A 93 -0.496 -27.616 -5.137 1.00 33.97 C ATOM 933 CD GLU A 93 0.497 -28.345 -5.997 1.00 43.92 C ATOM 934 OE1 GLU A 93 0.171 -29.477 -6.389 1.00 47.86 O ATOM 935 OE2 GLU A 93 1.581 -27.773 -6.295 1.00 53.08 O ATOM 936 H GLU A 93 0.312 -25.955 -1.384 1.00 0.00 H ATOM 937 N PHE A 94 -3.238 -26.649 -3.107 1.00 21.91 N ATOM 938 CA PHE A 94 -4.328 -27.560 -2.804 1.00 20.67 C ATOM 939 C PHE A 94 -4.382 -28.706 -3.855 1.00 22.35 C ATOM 940 O PHE A 94 -4.577 -29.853 -3.544 1.00 20.21 O ATOM 941 CB PHE A 94 -5.666 -26.802 -2.862 1.00 22.57 C ATOM 942 CG PHE A 94 -6.859 -27.678 -2.483 1.00 22.64 C ATOM 943 CD1 PHE A 94 -7.171 -27.893 -1.113 1.00 22.43 C ATOM 944 CD2 PHE A 94 -7.670 -28.223 -3.439 1.00 21.20 C ATOM 945 CE1 PHE A 94 -8.205 -28.721 -0.761 1.00 23.29 C ATOM 946 CE2 PHE A 94 -8.715 -29.075 -3.108 1.00 23.38 C ATOM 947 CZ PHE A 94 -8.997 -29.319 -1.747 1.00 25.62 C ATOM 948 H PHE A 94 -3.422 -25.780 -3.648 1.00 0.00 H ATOM 949 N GLY A 95 -4.326 -28.333 -5.128 1.00 22.62 N ATOM 950 CA GLY A 95 -4.418 -29.266 -6.255 1.00 22.46 C ATOM 951 C GLY A 95 -5.785 -29.190 -6.929 1.00 19.40 C ATOM 952 O GLY A 95 -6.463 -28.172 -6.979 1.00 20.58 O ATOM 953 H GLY A 95 -4.210 -27.321 -5.338 1.00 0.00 H ATOM 954 N PHE A 96 -6.255 -30.328 -7.339 1.00 20.63 N ATOM 955 CA PHE A 96 -7.469 -30.411 -8.101 1.00 21.64 C ATOM 956 C PHE A 96 -8.689 -30.043 -7.261 1.00 21.19 C ATOM 957 O PHE A 96 -8.839 -30.555 -6.164 1.00 22.34 O ATOM 958 CB PHE A 96 -7.645 -31.850 -8.685 1.00 23.08 C ATOM 959 CG PHE A 96 -8.776 -31.962 -9.690 1.00 24.41 C ATOM 960 CD1 PHE A 96 -8.611 -31.546 -11.006 1.00 27.88 C ATOM 961 CD2 PHE A 96 -9.997 -32.471 -9.312 1.00 25.78 C ATOM 962 CE1 PHE A 96 -9.660 -31.629 -11.931 1.00 26.78 C ATOM 963 CE2 PHE A 96 -11.030 -32.566 -10.206 1.00 26.87 C ATOM 964 CZ PHE A 96 -10.870 -32.129 -11.527 1.00 29.54 C ATOM 965 H PHE A 96 -5.739 -31.202 -7.110 1.00 0.00 H ATOM 966 N VAL A 97 -9.594 -29.236 -7.845 1.00 18.87 N ATOM 967 CA VAL A 97 -10.856 -28.857 -7.254 1.00 20.08 C ATOM 968 C VAL A 97 -12.027 -29.267 -8.163 1.00 22.28 C ATOM 969 O VAL A 97 -12.110 -28.814 -9.299 1.00 22.27 O ATOM 970 CB VAL A 97 -10.932 -27.344 -6.982 1.00 21.19 C ATOM 971 CG1 VAL A 97 -12.274 -26.949 -6.365 1.00 20.83 C ATOM 972 CG2 VAL A 97 -9.799 -26.857 -6.064 1.00 23.60 C ATOM 973 H VAL A 97 -9.369 -28.859 -8.788 1.00 0.00 H ATOM 974 N ILE A 98 -12.891 -30.135 -7.671 1.00 21.93 N ATOM 975 CA ILE A 98 -14.043 -30.633 -8.379 1.00 24.57 C ATOM 976 C ILE A 98 -15.051 -29.503 -8.554 1.00 27.32 C ATOM 977 O ILE A 98 -15.234 -28.706 -7.674 1.00 27.51 O ATOM 978 CB ILE A 98 -14.680 -31.811 -7.589 1.00 27.19 C ATOM 979 CG1 ILE A 98 -13.771 -33.009 -7.635 1.00 28.37 C ATOM 980 CG2 ILE A 98 -16.033 -32.249 -8.157 1.00 28.83 C ATOM 981 CD1 ILE A 98 -14.213 -34.134 -6.716 1.00 27.90 C ATOM 982 H ILE A 98 -12.729 -30.484 -6.705 1.00 0.00 H ATOM 983 N PRO A 99 -15.672 -29.392 -9.737 1.00 26.71 N ATOM 984 CA PRO A 99 -16.641 -28.310 -9.939 1.00 30.75 C ATOM 985 C PRO A 99 -17.736 -28.345 -8.864 1.00 31.65 C ATOM 986 O PRO A 99 -18.148 -29.428 -8.420 1.00 28.27 O ATOM 987 CB PRO A 99 -17.234 -28.606 -11.334 1.00 29.52 C ATOM 988 CG PRO A 99 -16.797 -29.975 -11.677 1.00 26.46 C ATOM 989 CD PRO A 99 -15.544 -30.269 -10.909 1.00 26.19 C ATOM 990 N ASN A 100 -18.153 -27.166 -8.394 1.00 34.08 N ATOM 991 CA ASN A 100 -19.202 -27.105 -7.375 1.00 35.35 C ATOM 992 C ASN A 100 -18.921 -27.852 -6.062 1.00 36.46 C ATOM 993 O ASN A 100 -19.729 -28.633 -5.601 1.00 34.86 O ATOM 994 CB ASN A 100 -20.521 -27.596 -7.945 1.00 40.19 C ATOM 995 CG ASN A 100 -21.687 -26.863 -7.327 1.00 46.51 C ATOM 996 OD1 ASN A 100 -21.582 -25.663 -7.012 1.00 44.65 O ATOM 997 ND2 ASN A 100 -22.791 -27.570 -7.117 1.00 49.48 N ATOM 998 HD22 ASN A 100 -22.829 -28.570 -7.398 1.00 0.00 H ATOM 999 HD21 ASN A 100 -23.618 -27.123 -6.671 1.00 0.00 H ATOM 1000 H ASN A 100 -17.730 -26.287 -8.754 1.00 0.00 H ATOM 1001 N SER A 101 -17.720 -27.687 -5.525 1.00 30.69 N ATOM 1002 CA SER A 101 -17.373 -28.362 -4.285 1.00 28.29 C ATOM 1003 C SER A 101 -17.154 -27.340 -3.188 1.00 27.09 C ATOM 1004 O SER A 101 -16.925 -26.129 -3.429 1.00 29.52 O ATOM 1005 CB SER A 101 -16.133 -29.274 -4.431 1.00 27.61 C ATOM 1006 OG SER A 101 -15.007 -28.603 -5.026 1.00 21.93 O ATOM 1007 HG SER A 101 -15.254 -28.284 -5.930 1.00 0.00 H ATOM 1008 H SER A 101 -17.023 -27.072 -5.993 1.00 0.00 H ATOM 1009 N THR A 102 -17.143 -27.869 -1.981 1.00 29.69 N ATOM 1010 CA THR A 102 -16.726 -27.138 -0.817 1.00 25.34 C ATOM 1011 C THR A 102 -15.665 -27.995 -0.201 1.00 23.03 C ATOM 1012 O THR A 102 -15.813 -29.180 -0.113 1.00 24.64 O ATOM 1013 CB THR A 102 -17.967 -26.953 0.030 1.00 29.33 C ATOM 1014 OG1 THR A 102 -18.782 -26.031 -0.687 1.00 29.42 O ATOM 1015 CG2 THR A 102 -17.661 -26.411 1.436 1.00 27.16 C ATOM 1016 HG1 THR A 102 -19.002 -26.409 -1.575 1.00 0.00 H ATOM 1017 H THR A 102 -17.449 -28.856 -1.867 1.00 0.00 H ATOM 1018 N ASN A 103 -14.559 -27.385 0.141 1.00 22.98 N ATOM 1019 CA ASN A 103 -13.371 -28.045 0.543 1.00 25.74 C ATOM 1020 C ASN A 103 -12.755 -27.382 1.803 1.00 23.93 C ATOM 1021 O ASN A 103 -12.868 -26.206 1.986 1.00 22.21 O ATOM 1022 CB ASN A 103 -12.360 -27.979 -0.592 1.00 25.70 C ATOM 1023 CG ASN A 103 -12.914 -28.499 -1.879 1.00 27.47 C ATOM 1024 OD1 ASN A 103 -12.852 -29.668 -2.109 1.00 29.68 O ATOM 1025 ND2 ASN A 103 -13.547 -27.644 -2.673 1.00 27.97 N ATOM 1026 HD22 ASN A 103 -13.575 -26.633 -2.431 1.00 0.00 H ATOM 1027 HD21 ASN A 103 -14.015 -27.985 -3.537 1.00 0.00 H ATOM 1028 H ASN A 103 -14.551 -26.345 0.116 1.00 0.00 H ATOM 1029 N THR A 104 -12.055 -28.168 2.611 1.00 23.63 N ATOM 1030 CA THR A 104 -11.318 -27.664 3.745 1.00 24.14 C ATOM 1031 C THR A 104 -9.870 -27.961 3.436 1.00 22.78 C ATOM 1032 O THR A 104 -9.541 -29.044 3.019 1.00 21.38 O ATOM 1033 CB THR A 104 -11.732 -28.361 5.076 1.00 26.22 C ATOM 1034 OG1 THR A 104 -13.057 -28.041 5.324 1.00 23.93 O ATOM 1035 CG2 THR A 104 -10.992 -27.850 6.267 1.00 26.76 C ATOM 1036 HG1 THR A 104 -13.347 -28.472 6.167 1.00 0.00 H ATOM 1037 H THR A 104 -12.037 -29.190 2.419 1.00 0.00 H ATOM 1038 N TRP A 105 -9.048 -26.946 3.551 1.00 18.11 N ATOM 1039 CA TRP A 105 -7.680 -27.014 3.277 1.00 19.89 C ATOM 1040 C TRP A 105 -6.905 -26.690 4.569 1.00 19.87 C ATOM 1041 O TRP A 105 -7.039 -25.581 5.146 1.00 20.50 O ATOM 1042 CB TRP A 105 -7.411 -25.970 2.190 1.00 20.42 C ATOM 1043 CG TRP A 105 -6.009 -25.960 1.674 1.00 20.97 C ATOM 1044 CD1 TRP A 105 -4.973 -26.807 1.986 1.00 23.11 C ATOM 1045 CD2 TRP A 105 -5.505 -25.063 0.710 1.00 21.08 C ATOM 1046 NE1 TRP A 105 -3.864 -26.484 1.240 1.00 20.37 N ATOM 1047 CE2 TRP A 105 -4.159 -25.394 0.480 1.00 21.16 C ATOM 1048 CE3 TRP A 105 -6.066 -24.016 -0.007 1.00 20.03 C ATOM 1049 CZ2 TRP A 105 -3.393 -24.733 -0.478 1.00 21.38 C ATOM 1050 CZ3 TRP A 105 -5.254 -23.332 -0.930 1.00 19.86 C ATOM 1051 CH2 TRP A 105 -3.981 -23.701 -1.146 1.00 20.23 C ATOM 1052 HE1 TRP A 105 -2.954 -26.987 1.254 1.00 0.00 H ATOM 1053 H TRP A 105 -9.438 -26.035 3.865 1.00 0.00 H ATOM 1054 N GLN A 106 -6.123 -27.630 5.034 1.00 21.51 N ATOM 1055 CA GLN A 106 -5.296 -27.408 6.230 1.00 22.42 C ATOM 1056 C GLN A 106 -3.839 -27.348 5.887 1.00 22.26 C ATOM 1057 O GLN A 106 -3.371 -28.123 5.051 1.00 20.88 O ATOM 1058 CB GLN A 106 -5.593 -28.473 7.278 1.00 22.81 C ATOM 1059 CG GLN A 106 -4.885 -28.233 8.627 1.00 21.66 C ATOM 1060 CD GLN A 106 -3.533 -28.931 8.730 1.00 27.32 C ATOM 1061 OE1 GLN A 106 -3.171 -29.785 7.911 1.00 27.69 O ATOM 1062 NE2 GLN A 106 -2.749 -28.525 9.716 1.00 25.37 N ATOM 1063 HE22 GLN A 106 -3.087 -27.805 10.386 1.00 0.00 H ATOM 1064 HE21 GLN A 106 -1.795 -28.926 9.821 1.00 0.00 H ATOM 1065 H GLN A 106 -6.085 -28.550 4.550 1.00 0.00 H ATOM 1066 N SER A 107 -3.112 -26.401 6.488 1.00 18.63 N ATOM 1067 CA SER A 107 -1.694 -26.221 6.281 1.00 21.04 C ATOM 1068 C SER A 107 -1.001 -25.908 7.636 1.00 23.88 C ATOM 1069 O SER A 107 -1.535 -25.197 8.493 1.00 23.25 O ATOM 1070 CB SER A 107 -1.411 -25.050 5.317 1.00 23.44 C ATOM 1071 OG SER A 107 -2.077 -25.202 4.056 1.00 29.02 O ATOM 1072 HG SER A 107 -1.864 -24.428 3.476 1.00 0.00 H ATOM 1073 H SER A 107 -3.596 -25.755 7.144 1.00 0.00 H ATOM 1074 N LEU A 108 0.177 -26.454 7.841 1.00 25.38 N ATOM 1075 CA LEU A 108 0.889 -26.256 9.116 1.00 31.80 C ATOM 1076 C LEU A 108 1.966 -25.238 8.823 1.00 32.45 C ATOM 1077 O LEU A 108 2.686 -25.382 7.854 1.00 29.41 O ATOM 1078 CB LEU A 108 1.472 -27.546 9.657 1.00 34.62 C ATOM 1079 CG LEU A 108 1.815 -27.469 11.153 1.00 39.03 C ATOM 1080 CD1 LEU A 108 0.570 -27.335 12.004 1.00 37.48 C ATOM 1081 CD2 LEU A 108 2.577 -28.704 11.551 1.00 44.97 C ATOM 1082 H LEU A 108 0.612 -27.033 7.094 1.00 0.00 H ATOM 1083 N ILE A 109 1.968 -24.139 9.563 1.00 28.06 N ATOM 1084 CA ILE A 109 2.979 -23.072 9.381 1.00 27.05 C ATOM 1085 C ILE A 109 3.889 -23.091 10.613 1.00 26.83 C ATOM 1086 O ILE A 109 3.433 -22.807 11.728 1.00 23.55 O ATOM 1087 CB ILE A 109 2.273 -21.718 9.319 1.00 28.80 C ATOM 1088 CG1 ILE A 109 1.372 -21.695 8.116 1.00 33.09 C ATOM 1089 CG2 ILE A 109 3.263 -20.553 9.341 1.00 30.93 C ATOM 1090 CD1 ILE A 109 2.129 -21.580 6.822 1.00 37.82 C ATOM 1091 H ILE A 109 1.237 -24.022 10.294 1.00 0.00 H ATOM 1092 N GLU A 110 5.145 -23.419 10.431 1.00 26.48 N ATOM 1093 CA GLU A 110 6.041 -23.605 11.542 1.00 29.52 C ATOM 1094 C GLU A 110 6.810 -22.314 11.785 1.00 32.84 C ATOM 1095 O GLU A 110 7.258 -21.668 10.834 1.00 27.60 O ATOM 1096 CB GLU A 110 7.022 -24.726 11.248 1.00 35.11 C ATOM 1097 CG GLU A 110 6.346 -26.095 11.122 1.00 42.84 C ATOM 1098 CD GLU A 110 7.250 -27.095 10.413 1.00 48.82 C ATOM 1099 OE1 GLU A 110 8.488 -27.003 10.561 1.00 57.18 O ATOM 1100 OE2 GLU A 110 6.726 -27.954 9.690 1.00 53.20 O ATOM 1101 H GLU A 110 5.502 -23.548 9.463 1.00 0.00 H ATOM 1102 N ALA A 111 6.968 -21.982 13.061 1.00 33.21 N ATOM 1103 CA ALA A 111 7.735 -20.812 13.487 1.00 31.79 C ATOM 1104 C ALA A 111 9.214 -20.966 13.231 1.00 30.61 C ATOM 1105 O ALA A 111 9.762 -22.050 13.434 1.00 26.10 O ATOM 1106 CB ALA A 111 7.536 -20.581 14.984 1.00 33.71 C ATOM 1107 H ALA A 111 6.527 -22.580 13.789 1.00 0.00 H ATOM 1108 N ALA A 112 9.859 -19.858 12.847 1.00 29.47 N ATOM 1109 CA ALA A 112 11.328 -19.727 12.880 1.00 28.91 C ATOM 1110 C ALA A 112 11.889 -19.854 14.314 1.00 28.01 C ATOM 1111 O ALA A 112 11.138 -19.644 15.218 1.00 27.76 O ATOM 1112 CB ALA A 112 11.689 -18.352 12.334 1.00 30.54 C ATOM 1113 H ALA A 112 9.298 -19.050 12.509 1.00 0.00 H ATOM 1114 N PRO A 113 13.219 -20.153 14.518 1.00 29.95 N ATOM 1115 CA PRO A 113 13.736 -20.087 15.909 1.00 33.76 C ATOM 1116 C PRO A 113 13.336 -18.785 16.579 1.00 31.62 C ATOM 1117 O PRO A 113 13.083 -17.721 15.899 1.00 26.24 O ATOM 1118 CB PRO A 113 15.260 -20.141 15.752 1.00 34.94 C ATOM 1119 CG PRO A 113 15.495 -20.777 14.400 1.00 35.64 C ATOM 1120 CD PRO A 113 14.228 -20.662 13.574 1.00 32.62 C ATOM 1121 N GLU A 114 13.213 -18.826 17.890 1.00 37.38 N ATOM 1122 CA GLU A 114 12.771 -17.612 18.607 1.00 36.99 C ATOM 1123 C GLU A 114 13.617 -16.374 18.276 1.00 28.70 C ATOM 1124 O GLU A 114 13.117 -15.303 18.184 1.00 25.89 O ATOM 1125 CB GLU A 114 12.794 -17.839 20.109 1.00 44.20 C ATOM 1126 CG GLU A 114 14.102 -18.450 20.607 1.00 52.01 C ATOM 1127 CD GLU A 114 14.209 -18.397 22.130 1.00 56.23 C ATOM 1128 OE1 GLU A 114 13.144 -18.196 22.778 1.00 58.85 O ATOM 1129 OE2 GLU A 114 15.346 -18.538 22.660 1.00 51.86 O ATOM 1130 H GLU A 114 13.424 -19.700 18.413 1.00 0.00 H ATOM 1131 N SER A 115 14.892 -16.545 18.023 1.00 28.67 N ATOM 1132 CA SER A 115 15.775 -15.393 17.937 1.00 30.61 C ATOM 1133 C SER A 115 15.534 -14.665 16.654 1.00 30.16 C ATOM 1134 O SER A 115 16.066 -13.614 16.460 1.00 31.46 O ATOM 1135 CB SER A 115 17.201 -15.843 18.050 1.00 29.79 C ATOM 1136 OG SER A 115 17.552 -16.679 16.966 1.00 32.21 O ATOM 1137 HG SER A 115 18.496 -16.963 17.062 1.00 0.00 H ATOM 1138 H SER A 115 15.271 -17.503 17.884 1.00 0.00 H ATOM 1139 N GLN A 116 14.684 -15.223 15.795 1.00 27.94 N ATOM 1140 CA GLN A 116 14.344 -14.599 14.512 1.00 31.53 C ATOM 1141 C GLN A 116 12.964 -14.161 14.444 1.00 28.17 C ATOM 1142 O GLN A 116 12.620 -13.562 13.446 1.00 27.15 O ATOM 1143 CB GLN A 116 14.524 -15.623 13.373 1.00 35.59 C ATOM 1144 CG GLN A 116 15.596 -16.596 13.774 1.00 37.13 C ATOM 1145 CD GLN A 116 16.497 -17.026 12.672 1.00 46.58 C ATOM 1146 OE1 GLN A 116 16.657 -18.221 12.421 1.00 42.87 O ATOM 1147 NE2 GLN A 116 17.151 -16.055 12.036 1.00 56.02 N ATOM 1148 HE22 GLN A 116 16.978 -15.061 12.287 1.00 0.00 H ATOM 1149 HE21 GLN A 116 17.834 -16.291 11.288 1.00 0.00 H ATOM 1150 H GLN A 116 14.246 -16.133 16.042 1.00 0.00 H ATOM 1151 N MET A 117 12.146 -14.517 15.448 1.00 27.29 N ATOM 1152 CA MET A 117 10.732 -14.051 15.487 1.00 29.08 C ATOM 1153 C MET A 117 10.694 -12.532 15.643 1.00 28.57 C ATOM 1154 O MET A 117 11.464 -11.939 16.352 1.00 29.09 O ATOM 1155 CB MET A 117 9.924 -14.732 16.597 1.00 28.42 C ATOM 1156 CG MET A 117 9.759 -16.241 16.446 1.00 31.65 C ATOM 1157 SD MET A 117 9.105 -16.789 14.836 1.00 33.43 S ATOM 1158 CE MET A 117 7.484 -15.989 14.931 1.00 34.70 C ATOM 1159 H MET A 117 12.505 -15.127 16.210 1.00 0.00 H ATOM 1160 N MET A 118 9.810 -11.892 14.923 1.00 31.49 N ATOM 1161 CA MET A 118 9.691 -10.460 15.019 1.00 29.81 C ATOM 1162 C MET A 118 8.763 -10.118 16.169 1.00 28.95 C ATOM 1163 O MET A 118 7.783 -10.811 16.371 1.00 29.88 O ATOM 1164 CB MET A 118 9.123 -9.921 13.699 1.00 31.84 C ATOM 1165 CG MET A 118 9.990 -10.369 12.552 1.00 35.83 C ATOM 1166 SD MET A 118 9.719 -9.556 10.987 1.00 38.41 S ATOM 1167 CE MET A 118 9.917 -7.788 11.430 1.00 33.48 C ATOM 1168 H MET A 118 9.189 -12.420 14.277 1.00 0.00 H ATOM 1169 N PRO A 119 9.072 -9.079 16.956 1.00 30.67 N ATOM 1170 CA PRO A 119 8.184 -8.683 18.063 1.00 29.72 C ATOM 1171 C PRO A 119 6.896 -8.137 17.500 1.00 29.71 C ATOM 1172 O PRO A 119 6.939 -7.472 16.405 1.00 25.24 O ATOM 1173 CB PRO A 119 8.917 -7.482 18.716 1.00 30.22 C ATOM 1174 CG PRO A 119 10.283 -7.565 18.189 1.00 32.96 C ATOM 1175 CD PRO A 119 10.155 -8.127 16.796 1.00 31.23 C ATOM 1176 N ALA A 120 5.832 -8.301 18.292 1.00 27.20 N ATOM 1177 CA ALA A 120 4.512 -7.785 18.006 1.00 31.97 C ATOM 1178 C ALA A 120 4.512 -6.266 17.851 1.00 31.21 C ATOM 1179 O ALA A 120 3.814 -5.700 16.988 1.00 29.80 O ATOM 1180 CB ALA A 120 3.551 -8.172 19.122 1.00 31.92 C ATOM 1181 H ALA A 120 5.962 -8.836 19.174 1.00 0.00 H ATOM 1182 N SER A 121 5.244 -5.583 18.731 1.00 30.92 N ATOM 1183 CA SER A 121 5.179 -4.113 18.753 1.00 27.61 C ATOM 1184 C SER A 121 5.751 -3.565 17.439 1.00 27.56 C ATOM 1185 O SER A 121 5.315 -2.523 16.898 1.00 32.97 O ATOM 1186 CB SER A 121 5.939 -3.595 19.993 1.00 26.94 C ATOM 1187 OG SER A 121 7.289 -3.908 19.883 1.00 30.04 O ATOM 1188 HG SER A 121 7.660 -3.483 19.070 1.00 0.00 H ATOM 1189 H SER A 121 5.860 -6.088 19.400 1.00 0.00 H ATOM 1190 N VAL A 122 6.732 -4.268 16.888 1.00 27.87 N ATOM 1191 CA VAL A 122 7.279 -3.847 15.613 1.00 29.93 C ATOM 1192 C VAL A 122 6.321 -4.231 14.458 1.00 30.17 C ATOM 1193 O VAL A 122 6.191 -3.490 13.488 1.00 30.75 O ATOM 1194 CB VAL A 122 8.695 -4.385 15.396 1.00 30.48 C ATOM 1195 CG1 VAL A 122 9.180 -4.072 13.989 1.00 30.22 C ATOM 1196 CG2 VAL A 122 9.631 -3.782 16.437 1.00 35.60 C ATOM 1197 H VAL A 122 7.105 -5.113 17.366 1.00 0.00 H ATOM 1198 N LEU A 123 5.633 -5.375 14.563 1.00 28.13 N ATOM 1199 CA LEU A 123 4.825 -5.831 13.450 1.00 24.43 C ATOM 1200 C LEU A 123 3.510 -5.141 13.332 1.00 22.02 C ATOM 1201 O LEU A 123 2.992 -4.911 12.213 1.00 24.94 O ATOM 1202 CB LEU A 123 4.578 -7.333 13.585 1.00 26.32 C ATOM 1203 CG LEU A 123 5.744 -8.222 13.405 1.00 26.68 C ATOM 1204 CD1 LEU A 123 5.447 -9.647 13.931 1.00 29.73 C ATOM 1205 CD2 LEU A 123 6.201 -8.225 11.957 1.00 30.54 C ATOM 1206 H LEU A 123 5.678 -5.933 15.439 1.00 0.00 H ATOM 1207 N THR A 124 2.879 -4.876 14.463 1.00 25.89 N ATOM 1208 CA THR A 124 1.446 -4.597 14.434 1.00 24.44 C ATOM 1209 C THR A 124 1.156 -3.371 13.602 1.00 28.30 C ATOM 1210 O THR A 124 1.812 -2.323 13.753 1.00 25.04 O ATOM 1211 CB THR A 124 0.869 -4.473 15.811 1.00 26.24 C ATOM 1212 OG1 THR A 124 -0.554 -4.309 15.731 1.00 25.66 O ATOM 1213 CG2 THR A 124 1.560 -3.251 16.592 1.00 29.69 C ATOM 1214 HG1 THR A 124 -0.928 -4.228 16.644 1.00 0.00 H ATOM 1215 H THR A 124 3.398 -4.866 15.364 1.00 0.00 H ATOM 1216 N GLY A 125 0.184 -3.527 12.703 1.00 27.52 N ATOM 1217 CA GLY A 125 -0.199 -2.510 11.774 1.00 27.42 C ATOM 1218 C GLY A 125 0.676 -2.353 10.547 1.00 27.68 C ATOM 1219 O GLY A 125 0.296 -1.672 9.628 1.00 29.18 O ATOM 1220 H GLY A 125 -0.322 -4.435 12.676 1.00 0.00 H ATOM 1221 N ASN A 126 1.862 -2.941 10.544 1.00 28.16 N ATOM 1222 CA ASN A 126 2.843 -2.744 9.496 1.00 26.43 C ATOM 1223 C ASN A 126 2.956 -3.948 8.553 1.00 27.35 C ATOM 1224 O ASN A 126 3.705 -3.904 7.589 1.00 25.71 O ATOM 1225 CB ASN A 126 4.210 -2.449 10.150 1.00 29.42 C ATOM 1226 CG ASN A 126 4.201 -1.154 10.978 1.00 31.33 C ATOM 1227 OD1 ASN A 126 4.644 -1.096 12.151 1.00 35.43 O ATOM 1228 ND2 ASN A 126 3.663 -0.140 10.388 1.00 25.45 N ATOM 1229 HD22 ASN A 126 3.309 -0.232 9.415 1.00 0.00 H ATOM 1230 HD21 ASN A 126 3.584 0.770 10.886 1.00 0.00 H ATOM 1231 H ASN A 126 2.101 -3.575 11.333 1.00 0.00 H ATOM 1232 N VAL A 127 2.163 -5.001 8.798 1.00 25.39 N ATOM 1233 CA VAL A 127 2.286 -6.220 8.007 1.00 24.26 C ATOM 1234 C VAL A 127 1.112 -6.279 7.087 1.00 24.22 C ATOM 1235 O VAL A 127 -0.019 -6.093 7.537 1.00 28.16 O ATOM 1236 CB VAL A 127 2.271 -7.465 8.891 1.00 25.41 C ATOM 1237 CG1 VAL A 127 2.066 -8.694 8.038 1.00 25.10 C ATOM 1238 CG2 VAL A 127 3.586 -7.563 9.671 1.00 27.60 C ATOM 1239 H VAL A 127 1.455 -4.948 9.558 1.00 0.00 H ATOM 1240 N ILE A 128 1.399 -6.565 5.831 1.00 23.57 N ATOM 1241 CA ILE A 128 0.424 -6.864 4.776 1.00 26.78 C ATOM 1242 C ILE A 128 0.772 -8.222 4.202 1.00 26.04 C ATOM 1243 O ILE A 128 1.954 -8.519 3.870 1.00 25.82 O ATOM 1244 CB ILE A 128 0.468 -5.783 3.666 1.00 31.65 C ATOM 1245 CG1 ILE A 128 -0.174 -4.504 4.193 1.00 36.93 C ATOM 1246 CG2 ILE A 128 -0.204 -6.221 2.369 1.00 33.19 C ATOM 1247 CD1 ILE A 128 -0.005 -3.359 3.223 1.00 43.24 C ATOM 1248 H ILE A 128 2.404 -6.580 5.566 1.00 0.00 H ATOM 1249 N ILE A 129 -0.243 -9.068 4.147 1.00 26.17 N ATOM 1250 CA ILE A 129 -0.168 -10.339 3.466 1.00 25.95 C ATOM 1251 C ILE A 129 -0.815 -10.208 2.108 1.00 26.67 C ATOM 1252 O ILE A 129 -1.975 -9.892 2.000 1.00 24.76 O ATOM 1253 CB ILE A 129 -0.880 -11.397 4.296 1.00 26.50 C ATOM 1254 CG1 ILE A 129 -0.151 -11.534 5.620 1.00 29.60 C ATOM 1255 CG2 ILE A 129 -0.858 -12.768 3.637 1.00 24.32 C ATOM 1256 CD1 ILE A 129 -0.775 -12.652 6.395 1.00 35.43 C ATOM 1257 H ILE A 129 -1.134 -8.806 4.615 1.00 0.00 H ATOM 1258 N GLU A 130 -0.044 -10.421 1.067 1.00 27.96 N ATOM 1259 CA GLU A 130 -0.550 -10.253 -0.269 1.00 29.86 C ATOM 1260 C GLU A 130 -0.665 -11.647 -0.816 1.00 25.81 C ATOM 1261 O GLU A 130 0.281 -12.347 -0.830 1.00 27.09 O ATOM 1262 CB GLU A 130 0.423 -9.474 -1.135 1.00 33.81 C ATOM 1263 CG GLU A 130 -0.053 -9.351 -2.578 1.00 35.16 C ATOM 1264 CD GLU A 130 1.014 -8.724 -3.477 1.00 39.39 C ATOM 1265 OE1 GLU A 130 2.032 -9.395 -3.756 1.00 38.41 O ATOM 1266 OE2 GLU A 130 0.813 -7.556 -3.865 1.00 47.05 O ATOM 1267 H GLU A 130 0.943 -10.714 1.210 1.00 0.00 H ATOM 1268 N THR A 131 -1.873 -12.059 -1.139 1.00 24.25 N ATOM 1269 CA THR A 131 -2.142 -13.404 -1.558 1.00 27.35 C ATOM 1270 C THR A 131 -2.505 -13.401 -3.057 1.00 27.15 C ATOM 1271 O THR A 131 -3.480 -12.800 -3.456 1.00 28.81 O ATOM 1272 CB THR A 131 -3.325 -14.007 -0.771 1.00 27.21 C ATOM 1273 OG1 THR A 131 -3.023 -14.048 0.622 1.00 27.25 O ATOM 1274 CG2 THR A 131 -3.601 -15.441 -1.252 1.00 29.79 C ATOM 1275 HG1 THR A 131 -2.852 -13.129 0.949 1.00 0.00 H ATOM 1276 H THR A 131 -2.662 -11.383 -1.088 1.00 0.00 H ATOM 1277 N LYS A 132 -1.720 -14.082 -3.862 1.00 29.70 N ATOM 1278 CA LYS A 132 -2.147 -14.396 -5.236 1.00 29.57 C ATOM 1279 C LYS A 132 -2.789 -15.813 -5.326 1.00 29.99 C ATOM 1280 O LYS A 132 -2.183 -16.818 -4.918 1.00 27.09 O ATOM 1281 CB LYS A 132 -0.945 -14.317 -6.140 1.00 34.53 C ATOM 1282 CG LYS A 132 -0.333 -12.916 -6.247 1.00 36.48 C ATOM 1283 CD LYS A 132 1.034 -12.980 -6.880 1.00 43.28 C ATOM 1284 CE LYS A 132 1.622 -11.598 -7.181 1.00 50.73 C ATOM 1285 NZ LYS A 132 0.726 -10.757 -8.029 1.00 52.35 N ATOM 1286 HZ1 LYS A 132 0.560 -11.236 -8.937 1.00 0.00 H ATOM 1287 HZ2 LYS A 132 -0.181 -10.616 -7.540 1.00 0.00 H ATOM 1288 HZ3 LYS A 132 1.176 -9.835 -8.199 1.00 0.00 H ATOM 1289 H LYS A 132 -0.789 -14.402 -3.526 1.00 0.00 H ATOM 1290 N PHE A 133 -4.024 -15.850 -5.823 1.00 27.41 N ATOM 1291 CA PHE A 133 -4.846 -17.052 -6.017 1.00 28.10 C ATOM 1292 C PHE A 133 -4.635 -17.487 -7.471 1.00 28.40 C ATOM 1293 O PHE A 133 -4.998 -16.758 -8.377 1.00 30.73 O ATOM 1294 CB PHE A 133 -6.286 -16.644 -5.713 1.00 29.24 C ATOM 1295 CG PHE A 133 -7.379 -17.618 -6.126 1.00 34.09 C ATOM 1296 CD1 PHE A 133 -7.174 -18.707 -6.979 1.00 32.58 C ATOM 1297 CD2 PHE A 133 -8.689 -17.364 -5.706 1.00 37.81 C ATOM 1298 CE1 PHE A 133 -8.219 -19.552 -7.326 1.00 31.08 C ATOM 1299 CE2 PHE A 133 -9.741 -18.207 -6.065 1.00 37.29 C ATOM 1300 CZ PHE A 133 -9.503 -19.303 -6.879 1.00 37.12 C ATOM 1301 H PHE A 133 -4.447 -14.941 -6.100 1.00 0.00 H ATOM 1302 N PHE A 134 -4.018 -18.648 -7.652 1.00 25.99 N ATOM 1303 CA PHE A 134 -3.803 -19.261 -8.961 1.00 29.31 C ATOM 1304 C PHE A 134 -4.545 -20.571 -9.169 1.00 32.05 C ATOM 1305 O PHE A 134 -4.748 -21.361 -8.238 1.00 26.32 O ATOM 1306 CB PHE A 134 -2.360 -19.637 -9.102 1.00 31.09 C ATOM 1307 CG PHE A 134 -1.447 -18.488 -9.257 1.00 33.65 C ATOM 1308 CD1 PHE A 134 -1.127 -18.010 -10.537 1.00 37.86 C ATOM 1309 CD2 PHE A 134 -0.850 -17.899 -8.135 1.00 34.16 C ATOM 1310 CE1 PHE A 134 -0.242 -16.957 -10.695 1.00 41.37 C ATOM 1311 CE2 PHE A 134 0.055 -16.857 -8.288 1.00 38.75 C ATOM 1312 CZ PHE A 134 0.359 -16.378 -9.568 1.00 43.62 C ATOM 1313 H PHE A 134 -3.667 -19.151 -6.812 1.00 0.00 H ATOM 1314 N ASP A 135 -4.974 -20.803 -10.412 1.00 31.02 N ATOM 1315 CA ASP A 135 -5.191 -22.153 -10.865 1.00 29.03 C ATOM 1316 C ASP A 135 -4.085 -22.429 -11.826 1.00 31.57 C ATOM 1317 O ASP A 135 -4.099 -21.927 -12.968 1.00 32.90 O ATOM 1318 CB ASP A 135 -6.496 -22.335 -11.561 1.00 27.91 C ATOM 1319 CG ASP A 135 -6.651 -23.737 -12.137 1.00 29.67 C ATOM 1320 OD1 ASP A 135 -5.810 -24.647 -11.882 1.00 30.03 O ATOM 1321 OD2 ASP A 135 -7.656 -23.946 -12.821 1.00 28.56 O ATOM 1322 H ASP A 135 -5.152 -20.006 -11.056 1.00 0.00 H ATOM 1323 N ASP A 136 -3.150 -23.237 -11.368 1.00 30.74 N ATOM 1324 CA ASP A 136 -1.924 -23.567 -12.107 1.00 38.92 C ATOM 1325 C ASP A 136 -1.134 -22.273 -12.400 1.00 42.79 C ATOM 1326 O ASP A 136 -0.559 -21.715 -11.463 1.00 36.12 O ATOM 1327 CB ASP A 136 -2.257 -24.407 -13.380 1.00 38.79 C ATOM 1328 CG ASP A 136 -1.138 -25.297 -13.799 1.00 42.41 C ATOM 1329 OD1 ASP A 136 -0.057 -25.276 -13.201 1.00 46.70 O ATOM 1330 OD2 ASP A 136 -1.320 -26.044 -14.761 1.00 54.60 O ATOM 1331 H ASP A 136 -3.288 -23.665 -10.430 1.00 0.00 H ATOM 1332 N ASP A 137 -1.145 -21.769 -13.648 1.00 41.99 N ATOM 1333 CA ASP A 137 -0.477 -20.506 -13.960 1.00 38.19 C ATOM 1334 C ASP A 137 -1.422 -19.381 -14.265 1.00 38.39 C ATOM 1335 O ASP A 137 -1.009 -18.275 -14.593 1.00 43.42 O ATOM 1336 CB ASP A 137 0.527 -20.711 -15.068 1.00 42.16 C ATOM 1337 CG ASP A 137 1.740 -21.459 -14.585 1.00 47.78 C ATOM 1338 OD1 ASP A 137 2.210 -21.190 -13.448 1.00 50.10 O ATOM 1339 OD2 ASP A 137 2.223 -22.364 -15.304 1.00 63.19 O ATOM 1340 H ASP A 137 -1.637 -22.287 -14.404 1.00 0.00 H ATOM 1341 N LEU A 138 -2.707 -19.625 -14.133 1.00 33.32 N ATOM 1342 CA LEU A 138 -3.656 -18.547 -14.296 1.00 33.92 C ATOM 1343 C LEU A 138 -3.830 -17.808 -12.938 1.00 37.69 C ATOM 1344 O LEU A 138 -4.313 -18.376 -11.928 1.00 30.16 O ATOM 1345 CB LEU A 138 -4.988 -19.105 -14.772 1.00 33.85 C ATOM 1346 CG LEU A 138 -6.063 -18.100 -15.016 1.00 35.41 C ATOM 1347 CD1 LEU A 138 -5.641 -17.241 -16.228 1.00 39.33 C ATOM 1348 CD2 LEU A 138 -7.396 -18.803 -15.261 1.00 37.79 C ATOM 1349 H LEU A 138 -3.038 -20.586 -13.913 1.00 0.00 H ATOM 1350 N LEU A 139 -3.471 -16.537 -12.949 1.00 32.25 N ATOM 1351 CA LEU A 139 -3.595 -15.707 -11.805 1.00 34.57 C ATOM 1352 C LEU A 139 -5.056 -15.328 -11.770 1.00 34.57 C ATOM 1353 O LEU A 139 -5.557 -14.728 -12.695 1.00 35.80 O ATOM 1354 CB LEU A 139 -2.673 -14.479 -11.898 1.00 34.35 C ATOM 1355 CG LEU A 139 -2.757 -13.491 -10.693 1.00 35.03 C ATOM 1356 CD1 LEU A 139 -2.596 -14.195 -9.356 1.00 35.15 C ATOM 1357 CD2 LEU A 139 -1.697 -12.396 -10.785 1.00 37.94 C ATOM 1358 H LEU A 139 -3.085 -16.131 -13.825 1.00 0.00 H ATOM 1359 N VAL A 140 -5.757 -15.745 -10.726 1.00 28.09 N ATOM 1360 CA VAL A 140 -7.162 -15.518 -10.625 1.00 28.74 C ATOM 1361 C VAL A 140 -7.489 -14.241 -9.855 1.00 30.47 C ATOM 1362 O VAL A 140 -8.507 -13.592 -10.096 1.00 32.15 O ATOM 1363 CB VAL A 140 -7.851 -16.728 -9.918 1.00 27.36 C ATOM 1364 CG1 VAL A 140 -9.229 -16.363 -9.425 1.00 25.06 C ATOM 1365 CG2 VAL A 140 -7.998 -17.899 -10.848 1.00 26.78 C ATOM 1366 H VAL A 140 -5.270 -16.252 -9.959 1.00 0.00 H ATOM 1367 N SER A 141 -6.704 -13.922 -8.844 1.00 36.73 N ATOM 1368 CA SER A 141 -6.928 -12.684 -8.088 1.00 36.70 C ATOM 1369 C SER A 141 -5.797 -12.462 -7.133 1.00 35.92 C ATOM 1370 O SER A 141 -4.948 -13.345 -6.932 1.00 29.39 O ATOM 1371 CB SER A 141 -8.207 -12.736 -7.270 1.00 43.11 C ATOM 1372 OG SER A 141 -8.110 -13.746 -6.264 1.00 45.83 O ATOM 1373 HG SER A 141 -7.350 -13.541 -5.664 1.00 0.00 H ATOM 1374 H SER A 141 -5.920 -14.553 -8.581 1.00 0.00 H ATOM 1375 N THR A 142 -5.807 -11.264 -6.551 1.00 33.81 N ATOM 1376 CA THR A 142 -4.763 -10.803 -5.633 1.00 34.17 C ATOM 1377 C THR A 142 -5.471 -10.029 -4.556 1.00 32.83 C ATOM 1378 O THR A 142 -6.312 -9.206 -4.886 1.00 33.21 O ATOM 1379 CB THR A 142 -3.740 -9.903 -6.354 1.00 36.98 C ATOM 1380 OG1 THR A 142 -3.208 -10.636 -7.455 1.00 33.07 O ATOM 1381 CG2 THR A 142 -2.585 -9.535 -5.381 1.00 35.47 C ATOM 1382 HG1 THR A 142 -2.547 -10.076 -7.934 1.00 0.00 H ATOM 1383 H THR A 142 -6.598 -10.622 -6.759 1.00 0.00 H ATOM 1384 N SER A 143 -5.255 -10.418 -3.287 1.00 27.13 N ATOM 1385 CA SER A 143 -5.982 -9.853 -2.179 1.00 26.02 C ATOM 1386 C SER A 143 -4.941 -9.463 -1.153 1.00 24.38 C ATOM 1387 O SER A 143 -3.796 -9.933 -1.175 1.00 21.86 O ATOM 1388 CB SER A 143 -7.016 -10.824 -1.599 1.00 27.66 C ATOM 1389 OG SER A 143 -6.438 -12.124 -1.272 1.00 28.05 O ATOM 1390 HG SER A 143 -5.720 -12.005 -0.601 1.00 0.00 H ATOM 1391 H SER A 143 -4.540 -11.150 -3.099 1.00 0.00 H ATOM 1392 N ARG A 144 -5.319 -8.551 -0.287 1.00 25.09 N ATOM 1393 CA ARG A 144 -4.379 -8.064 0.694 1.00 26.03 C ATOM 1394 C ARG A 144 -5.043 -7.927 2.014 1.00 24.60 C ATOM 1395 O ARG A 144 -6.204 -7.495 2.050 1.00 23.47 O ATOM 1396 CB ARG A 144 -3.894 -6.669 0.261 1.00 28.50 C ATOM 1397 CG ARG A 144 -2.924 -6.762 -0.863 1.00 33.51 C ATOM 1398 CD ARG A 144 -2.617 -5.375 -1.429 1.00 39.11 C ATOM 1399 NE ARG A 144 -1.647 -5.525 -2.509 1.00 45.77 N ATOM 1400 CZ ARG A 144 -1.947 -5.720 -3.804 1.00 48.72 C ATOM 1401 NH1 ARG A 144 -3.214 -5.777 -4.223 1.00 48.71 N ATOM 1402 NH2 ARG A 144 -0.959 -5.849 -4.690 1.00 51.91 N ATOM 1403 HE ARG A 144 -0.640 -5.477 -2.255 1.00 0.00 H ATOM 1404 HH12 ARG A 144 -3.422 -5.929 -5.231 1.00 0.00 H ATOM 1405 HH11 ARG A 144 -3.992 -5.670 -3.542 1.00 0.00 H ATOM 1406 HH22 ARG A 144 -1.178 -6.000 -5.695 1.00 0.00 H ATOM 1407 HH21 ARG A 144 0.031 -5.798 -4.376 1.00 0.00 H ATOM 1408 H ARG A 144 -6.291 -8.181 -0.308 1.00 0.00 H ATOM 1409 N VAL A 145 -4.300 -8.279 3.081 1.00 25.12 N ATOM 1410 CA VAL A 145 -4.740 -8.143 4.457 1.00 24.75 C ATOM 1411 C VAL A 145 -3.702 -7.451 5.301 1.00 23.72 C ATOM 1412 O VAL A 145 -2.538 -7.866 5.316 1.00 25.79 O ATOM 1413 CB VAL A 145 -5.070 -9.500 5.174 1.00 25.28 C ATOM 1414 CG1 VAL A 145 -5.777 -9.201 6.491 1.00 24.77 C ATOM 1415 CG2 VAL A 145 -5.963 -10.319 4.304 1.00 27.45 C ATOM 1416 H VAL A 145 -3.353 -8.672 2.908 1.00 0.00 H ATOM 1417 N ARG A 146 -4.123 -6.400 5.998 1.00 24.77 N ATOM 1418 CA ARG A 146 -3.278 -5.742 6.996 1.00 26.76 C ATOM 1419 C ARG A 146 -3.488 -6.355 8.379 1.00 24.55 C ATOM 1420 O ARG A 146 -4.606 -6.462 8.846 1.00 26.34 O ATOM 1421 CB ARG A 146 -3.528 -4.213 7.047 1.00 29.87 C ATOM 1422 CG ARG A 146 -2.543 -3.444 7.912 1.00 31.58 C ATOM 1423 CD ARG A 146 -2.741 -1.930 7.897 1.00 33.16 C ATOM 1424 NE ARG A 146 -2.364 -1.355 6.589 1.00 35.29 N ATOM 1425 CZ ARG A 146 -1.133 -1.203 6.112 1.00 34.98 C ATOM 1426 NH1 ARG A 146 -0.037 -1.567 6.789 1.00 38.21 N ATOM 1427 NH2 ARG A 146 -0.992 -0.676 4.901 1.00 41.71 N ATOM 1428 HE ARG A 146 -3.143 -1.036 5.978 1.00 0.00 H ATOM 1429 HH12 ARG A 146 0.904 -1.426 6.369 1.00 0.00 H ATOM 1430 HH11 ARG A 146 -0.127 -1.991 7.734 1.00 0.00 H ATOM 1431 HH22 ARG A 146 -0.042 -0.544 4.499 1.00 0.00 H ATOM 1432 HH21 ARG A 146 -1.832 -0.396 4.355 1.00 0.00 H ATOM 1433 H ARG A 146 -5.082 -6.034 5.829 1.00 0.00 H ATOM 1434 N LEU A 147 -2.399 -6.742 9.026 1.00 25.63 N ATOM 1435 CA LEU A 147 -2.451 -7.430 10.307 1.00 25.49 C ATOM 1436 C LEU A 147 -2.109 -6.574 11.516 1.00 25.77 C ATOM 1437 O LEU A 147 -1.081 -5.868 11.551 1.00 24.35 O ATOM 1438 CB LEU A 147 -1.427 -8.541 10.299 1.00 27.01 C ATOM 1439 CG LEU A 147 -1.703 -9.629 9.285 1.00 29.99 C ATOM 1440 CD1 LEU A 147 -0.642 -10.676 9.436 1.00 28.47 C ATOM 1441 CD2 LEU A 147 -3.087 -10.222 9.480 1.00 31.56 C ATOM 1442 H LEU A 147 -1.470 -6.546 8.602 1.00 0.00 H ATOM 1443 N PHE A 148 -2.963 -6.670 12.511 1.00 25.71 N ATOM 1444 CA PHE A 148 -2.747 -6.101 13.846 1.00 27.10 C ATOM 1445 C PHE A 148 -2.554 -7.287 14.811 1.00 31.48 C ATOM 1446 O PHE A 148 -3.251 -8.300 14.694 1.00 29.49 O ATOM 1447 CB PHE A 148 -3.950 -5.272 14.207 1.00 31.21 C ATOM 1448 CG PHE A 148 -4.204 -4.115 13.239 1.00 31.83 C ATOM 1449 CD1 PHE A 148 -5.018 -4.268 12.121 1.00 32.98 C ATOM 1450 CD2 PHE A 148 -3.631 -2.875 13.469 1.00 33.45 C ATOM 1451 CE1 PHE A 148 -5.223 -3.205 11.232 1.00 34.93 C ATOM 1452 CE2 PHE A 148 -3.852 -1.814 12.620 1.00 33.12 C ATOM 1453 CZ PHE A 148 -4.656 -1.973 11.495 1.00 36.00 C ATOM 1454 H PHE A 148 -3.851 -7.184 12.340 1.00 0.00 H ATOM 1455 N TYR A 149 -1.537 -7.200 15.671 1.00 28.98 N ATOM 1456 CA TYR A 149 -1.174 -8.259 16.581 1.00 27.34 C ATOM 1457 C TYR A 149 -1.463 -7.631 17.926 1.00 32.61 C ATOM 1458 O TYR A 149 -0.702 -6.754 18.361 1.00 27.69 O ATOM 1459 CB TYR A 149 0.288 -8.658 16.477 1.00 27.84 C ATOM 1460 CG TYR A 149 0.772 -9.425 15.233 1.00 32.09 C ATOM 1461 CD1 TYR A 149 0.962 -8.764 14.038 1.00 29.69 C ATOM 1462 CD2 TYR A 149 1.064 -10.815 15.264 1.00 33.13 C ATOM 1463 CE1 TYR A 149 1.425 -9.406 12.920 1.00 29.75 C ATOM 1464 CE2 TYR A 149 1.538 -11.495 14.111 1.00 29.31 C ATOM 1465 CZ TYR A 149 1.707 -10.766 12.939 1.00 30.93 C ATOM 1466 OH TYR A 149 2.219 -11.267 11.778 1.00 27.77 O ATOM 1467 HH TYR A 149 3.139 -11.595 11.939 1.00 0.00 H ATOM 1468 H TYR A 149 -0.977 -6.324 15.686 1.00 0.00 H ATOM 1469 N VAL A 150 -2.606 -8.004 18.501 1.00 31.87 N ATOM 1470 CA VAL A 150 -3.231 -7.271 19.597 1.00 37.43 C ATOM 1471 C VAL A 150 -3.178 -8.096 20.871 1.00 38.48 C ATOM 1472 O VAL A 150 -2.821 -9.280 20.911 1.00 34.39 O ATOM 1473 CB VAL A 150 -4.719 -6.906 19.324 1.00 38.34 C ATOM 1474 CG1 VAL A 150 -4.851 -6.129 18.041 1.00 40.78 C ATOM 1475 CG2 VAL A 150 -5.596 -8.157 19.242 1.00 40.96 C ATOM 1476 OXT VAL A 150 -3.527 -7.567 21.902 1.00 35.63 O ATOM 1477 H VAL A 150 -3.077 -8.862 18.150 1.00 0.00 H TER 1478 VAL A 150 HETATM 1479 O HOH 1 -6.100 -12.082 0.990 1.00 30.63 O HETATM 1480 O HOH 2 -20.277 -26.161 -2.527 1.00 37.32 O HETATM 1481 O HOH 3 -3.772 -12.057 1.747 1.00 28.73 O HETATM 1482 O HOH 4 8.594 -23.960 14.967 1.00 37.82 O HETATM 1483 O HOH 5 -2.050 -2.837 17.110 1.00 30.38 O HETATM 1484 O HOH 6 -18.506 -24.493 4.516 1.00 34.19 O HETATM 1485 O HOH 7 -3.268 -23.343 2.773 1.00 43.06 O HETATM 1486 O HOH 8 -18.496 -18.701 -11.712 1.00 52.72 O HETATM 1487 O HOH 9 8.011 -12.171 18.561 1.00 29.11 O HETATM 1488 O HOH 10 3.779 -1.198 15.025 1.00 33.98 O HETATM 1489 O HOH 11 10.333 -16.655 2.615 1.00 37.04 O HETATM 1490 O HOH 12 -6.994 -31.562 -4.510 1.00 28.18 O HETATM 1491 O HOH 13 -7.785 -7.556 -1.410 1.00 24.57 O HETATM 1492 O HOH 14 19.513 -15.683 13.285 1.00 44.52 O HETATM 1493 O HOH 15 6.175 -23.979 7.989 1.00 28.61 O HETATM 1494 O HOH 16 -0.027 -4.977 20.309 1.00 37.78 O HETATM 1495 O HOH 17 9.799 -19.635 17.604 1.00 27.29 O HETATM 1496 O HOH 18 6.321 -21.907 1.031 1.00 35.99 O HETATM 1497 O HOH 19 -15.689 -16.337 15.463 1.00 40.10 O HETATM 1498 O HOH 20 -15.218 -20.980 -8.755 1.00 27.66 O HETATM 1499 O HOH 21 3.818 -14.276 -5.150 1.00 35.65 O HETATM 1500 O HOH 22 1.920 -21.760 -4.973 1.00 28.68 O HETATM 1501 O HOH 23 -10.701 -32.324 -4.907 1.00 30.18 O HETATM 1502 O HOH 24 -4.726 -23.368 5.147 1.00 30.73 O HETATM 1503 O HOH 25 12.450 -17.555 25.496 1.00 35.65 O HETATM 1504 O HOH 26 2.533 -1.403 5.472 1.00 40.14 O HETATM 1505 O HOH 27 -4.581 -32.672 -7.006 1.00 33.86 O HETATM 1506 O HOH 28 -5.885 -30.195 3.690 1.00 25.88 O HETATM 1507 O HOH 29 8.782 -1.489 19.248 1.00 25.85 O HETATM 1508 O HOH 30 -6.296 -13.577 -3.976 1.00 47.38 O HETATM 1509 O HOH 31 3.456 -3.480 4.692 1.00 28.52 O HETATM 1510 O HOH 32 -18.489 -30.532 -1.999 1.00 38.60 O HETATM 1511 O HOH 33 -12.544 -31.031 -4.759 1.00 25.08 O HETATM 1512 O HOH 34 1.179 -28.537 5.934 1.00 37.23 O HETATM 1513 O HOH 35 -11.558 -6.170 6.622 1.00 36.43 O HETATM 1514 O HOH 36 -12.815 -31.099 2.293 1.00 43.13 O HETATM 1515 O HOH 37 -7.484 -9.136 -8.074 1.00 44.50 O HETATM 1516 O HOH 38 -0.171 -26.778 2.083 1.00 36.07 O HETATM 1517 O HOH 39 3.788 -6.378 22.369 1.00 38.97 O HETATM 1518 O HOH 40 -2.471 -6.035 -7.587 1.00 47.01 O HETATM 1519 O HOH 41 -5.229 -24.996 -15.150 1.00 40.68 O HETATM 1520 O HOH 42 8.660 -7.688 -4.155 1.00 54.18 O HETATM 1521 O HOH 43 1.952 -17.393 5.282 1.00 41.15 O HETATM 1522 O HOH 44 -11.049 -24.096 20.476 1.00 38.13 O HETATM 1523 O HOH 45 2.443 -24.325 -4.328 1.00 41.31 O HETATM 1524 O HOH 46 -5.213 -3.652 -1.223 1.00 41.89 O HETATM 1525 O HOH 47 -7.216 -11.895 -14.992 1.00 56.15 O HETATM 1526 O HOH 48 -14.652 -32.415 -3.704 1.00 30.36 O HETATM 1527 O HOH 49 -4.286 -30.402 1.365 1.00 52.56 O HETATM 1528 O HOH 50 2.166 -4.930 -1.183 1.00 51.02 O HETATM 1529 O HOH 51 -6.198 -10.952 22.933 1.00 44.93 O HETATM 1530 O HOH 52 6.294 -1.460 23.554 1.00 46.11 O HETATM 1531 O HOH 53 5.313 -23.865 -6.014 1.00 46.10 O HETATM 1532 N LYS A 54 9.877 -21.965 7.609 1.00 0.24 N HETATM 1533 CA LYS A 54 9.868 -21.240 8.936 1.00 0.07 C HETATM 1534 C LYS A 54 9.410 -19.777 8.828 1.00 0.23 C HETATM 1535 O LYS A 54 10.112 -18.925 8.271 1.00 -0.39 O HETATM 1536 N LYS A 54 8.284 -19.463 9.433 1.00 -0.26 N HETATM 1537 CA LYS A 54 7.774 -18.079 9.453 1.00 0.15 C HETATM 1538 C LYS A 54 8.325 -17.281 10.642 1.00 0.21 C HETATM 1539 O LYS A 54 8.378 -17.799 11.753 1.00 -0.39 O HETATM 1540 N LYS A 54 8.671 -16.015 10.377 1.00 -0.26 N HETATM 1541 CA LYS A 54 9.072 -15.057 11.402 1.00 0.13 C HETATM 1542 C LYS A 54 7.967 -14.127 11.901 1.00 0.20 C HETATM 1543 O LYS A 54 8.190 -13.339 12.840 1.00 -0.39 O HETATM 1544 N LYS A 54 6.795 -14.213 11.278 1.00 -0.26 N HETATM 1545 CA LYS A 54 5.677 -13.283 11.545 1.00 0.16 C HETATM 1546 C LYS A 54 4.434 -14.043 11.980 1.00 0.21 C HETATM 1547 O LYS A 54 3.315 -13.532 12.077 1.00 -0.39 O HETATM 1548 N LYS A 54 4.608 -15.740 12.006 1.00 -0.26 N HETATM 1549 CA LYS A 54 3.458 -16.451 12.492 1.00 0.15 C HETATM 1550 C LYS A 54 4.093 -17.575 13.299 1.00 0.26 C HETATM 1551 O LYS A 54 4.901 -18.341 12.803 1.00 -0.37 O HETATM 1552 OXT LYS A 54 3.784 -17.569 14.584 1.00 -0.28 O HETATM 1553 C1 LYS A 54 4.193 -18.787 15.201 1.00 0.07 C HETATM 1554 H46 LYS A 54 3.928 -18.764 16.268 1.00 0.06 H HETATM 1555 H47 LYS A 54 5.282 -18.904 15.096 1.00 0.06 H HETATM 1556 H48 LYS A 54 3.685 -19.633 14.715 1.00 0.06 H HETATM 1557 CB LYS A 54 2.677 -16.921 11.270 1.00 0.03 C HETATM 1558 SG LYS A 54 1.511 -18.238 11.730 1.00 -0.17 S HETATM 1559 H45 LYS A 54 1.004 -18.537 10.912 1.00 0.10 H HETATM 1560 H43 LYS A 54 3.380 -17.306 10.517 1.00 0.04 H HETATM 1561 H44 LYS A 54 2.118 -16.073 10.849 1.00 0.04 H HETATM 1562 H42 LYS A 54 2.816 -15.825 13.130 1.00 0.08 H HETATM 1563 H41 LYS A 54 5.443 -16.202 11.707 1.00 0.19 H HETATM 1564 CB LYS A 54 5.343 -12.494 10.288 1.00 0.09 C HETATM 1565 OG1 LYS A 54 5.051 -13.419 9.224 1.00 -0.39 O HETATM 1566 H37 LYS A 54 5.809 -13.969 9.067 1.00 0.21 H HETATM 1567 CG2 LYS A 54 6.579 -11.654 9.911 1.00 -0.03 C HETATM 1568 H38 LYS A 54 6.364 -11.072 9.003 1.00 0.03 H HETATM 1569 H39 LYS A 54 7.433 -12.322 9.725 1.00 0.03 H HETATM 1570 H40 LYS A 54 6.822 -10.969 10.736 1.00 0.03 H HETATM 1571 H36 LYS A 54 4.478 -11.839 10.466 1.00 0.06 H HETATM 1572 H35 LYS A 54 5.975 -12.588 12.344 1.00 0.08 H HETATM 1573 H34 LYS A 54 6.665 -14.937 10.601 1.00 0.19 H HETATM 1574 CB LYS A 54 10.223 -14.188 10.883 1.00 -0.01 C HETATM 1575 CG LYS A 54 11.491 -14.939 10.538 1.00 -0.04 C HETATM 1576 CD LYS A 54 12.241 -14.167 9.439 1.00 -0.01 C HETATM 1577 CE LYS A 54 13.048 -15.109 8.549 1.00 -0.04 C HETATM 1578 NZ LYS A 54 14.333 -15.546 9.163 1.00 0.22 N HETATM 1579 H31 LYS A 54 14.816 -16.163 8.529 1.00 0.20 H HETATM 1580 H32 LYS A 54 14.145 -16.032 10.026 1.00 0.20 H HETATM 1581 H33 LYS A 54 14.908 -14.739 9.350 1.00 0.20 H HETATM 1582 H29 LYS A 54 13.271 -14.591 7.605 1.00 0.08 H HETATM 1583 H30 LYS A 54 12.439 -16.001 8.343 1.00 0.08 H HETATM 1584 H27 LYS A 54 12.925 -13.447 9.911 1.00 0.03 H HETATM 1585 H28 LYS A 54 11.511 -13.627 8.819 1.00 0.03 H HETATM 1586 H25 LYS A 54 11.237 -15.946 10.175 1.00 0.03 H HETATM 1587 H26 LYS A 54 12.127 -15.021 11.432 1.00 0.03 H HETATM 1588 H23 LYS A 54 10.467 -13.447 11.658 1.00 0.03 H HETATM 1589 H24 LYS A 54 9.877 -13.670 9.976 1.00 0.03 H HETATM 1590 H22 LYS A 54 9.431 -15.637 12.265 1.00 0.08 H HETATM 1591 H21 LYS A 54 8.654 -15.709 9.425 1.00 0.19 H HETATM 1592 CB LYS A 54 6.247 -18.076 9.569 1.00 0.08 C HETATM 1593 OG LYS A 54 5.783 -16.744 9.620 1.00 -0.39 O HETATM 1594 H20 LYS A 54 6.042 -16.289 8.827 1.00 0.21 H HETATM 1595 H18 LYS A 54 5.948 -18.604 10.486 1.00 0.06 H HETATM 1596 H19 LYS A 54 5.812 -18.583 8.695 1.00 0.06 H HETATM 1597 H17 LYS A 54 8.071 -17.583 8.517 1.00 0.08 H HETATM 1598 H16 LYS A 54 7.761 -20.181 9.891 1.00 0.19 H HETATM 1599 CB LYS A 54 11.257 -21.215 9.579 1.00 0.01 C HETATM 1600 CG LYS A 54 12.005 -22.527 9.717 1.00 -0.04 C HETATM 1601 CD LYS A 54 11.124 -23.692 10.046 1.00 -0.01 C HETATM 1602 CE LYS A 54 11.971 -24.904 10.422 1.00 -0.04 C HETATM 1603 NZ LYS A 54 11.049 -25.941 10.969 1.00 0.22 N HETATM 1604 H13 LYS A 54 11.579 -26.758 11.228 1.00 0.20 H HETATM 1605 H14 LYS A 54 10.369 -26.190 10.268 1.00 0.20 H HETATM 1606 H15 LYS A 54 10.576 -25.576 11.781 1.00 0.20 H HETATM 1607 H11 LYS A 54 12.713 -24.622 11.183 1.00 0.08 H HETATM 1608 H12 LYS A 54 12.488 -25.292 9.532 1.00 0.08 H HETATM 1609 H9 LYS A 54 10.506 -23.939 9.170 1.00 0.03 H HETATM 1610 H10 LYS A 54 10.473 -23.427 10.892 1.00 0.03 H HETATM 1611 H7 LYS A 54 12.751 -22.419 10.518 1.00 0.03 H HETATM 1612 H8 LYS A 54 12.517 -22.736 8.766 1.00 0.03 H HETATM 1613 H5 LYS A 54 11.141 -20.797 10.590 1.00 0.03 H HETATM 1614 H6 LYS A 54 11.884 -20.544 8.975 1.00 0.03 H HETATM 1615 H4 LYS A 54 9.176 -21.776 9.602 1.00 0.11 H HETATM 1616 H1 LYS A 54 10.185 -22.915 7.747 1.00 0.20 H HETATM 1617 H2 LYS A 54 10.505 -21.497 6.975 1.00 0.20 H HETATM 1618 H3 LYS A 54 8.947 -21.967 7.221 1.00 0.20 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1532 1533 1616 1617 1618 CONECT 1533 1532 1534 1599 1615 CONECT 1534 1533 1535 1536 CONECT 1535 1534 CONECT 1536 1534 1537 1598 CONECT 1537 1536 1538 1592 1597 CONECT 1538 1537 1539 1540 CONECT 1539 1538 CONECT 1540 1538 1541 1591 CONECT 1541 1540 1542 1574 1590 CONECT 1542 1541 1543 1544 CONECT 1543 1542 CONECT 1544 1542 1545 1573 CONECT 1545 1544 1546 1564 1572 CONECT 1546 1545 1547 1548 CONECT 1547 1546 CONECT 1548 1546 1549 1563 CONECT 1549 1548 1550 1557 1562 CONECT 1550 1549 1551 1552 CONECT 1551 1550 CONECT 1552 1550 1553 CONECT 1553 1552 1554 1555 1556 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1553 CONECT 1557 1549 1558 1560 1561 CONECT 1558 1557 1559 CONECT 1559 1558 CONECT 1560 1557 CONECT 1561 1557 CONECT 1562 1549 CONECT 1563 1548 CONECT 1564 1545 1565 1567 1571 CONECT 1565 1564 1566 CONECT 1566 1565 CONECT 1567 1564 1568 1569 1570 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1567 CONECT 1571 1564 CONECT 1572 1545 CONECT 1573 1544 CONECT 1574 1541 1575 1588 1589 CONECT 1575 1574 1576 1586 1587 CONECT 1576 1575 1577 1584 1585 CONECT 1577 1576 1578 1582 1583 CONECT 1578 1577 1579 1580 1581 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1578 CONECT 1582 1577 CONECT 1583 1577 CONECT 1584 1576 CONECT 1585 1576 CONECT 1586 1575 CONECT 1587 1575 CONECT 1588 1574 CONECT 1589 1574 CONECT 1590 1541 CONECT 1591 1540 CONECT 1592 1537 1593 1595 1596 CONECT 1593 1592 1594 CONECT 1594 1593 CONECT 1595 1592 CONECT 1596 1592 CONECT 1597 1537 CONECT 1598 1536 CONECT 1599 1533 1600 1613 1614 CONECT 1600 1599 1601 1611 1612 CONECT 1601 1600 1602 1609 1610 CONECT 1602 1601 1603 1607 1608 CONECT 1603 1602 1604 1605 1606 CONECT 1604 1603 CONECT 1605 1603 CONECT 1606 1603 CONECT 1607 1602 CONECT 1608 1602 CONECT 1609 1601 CONECT 1610 1601 CONECT 1611 1600 CONECT 1612 1600 CONECT 1613 1599 CONECT 1614 1599 CONECT 1615 1533 CONECT 1616 1532 CONECT 1617 1532 CONECT 1618 1532 MASTER 0 0 0 0 0 0 0 0 1617 1 91 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5e8f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3t5i
RCSB PDB
PDBbind
152aa, >3T5I_1|Chains... *
4jv6
RCSB PDB
PDBbind
152aa, >4JV6_1|Chain... at 100%
4jv8
RCSB PDB
PDBbind
152aa, >4JV8_1|Chain... at 100%
4jvb
RCSB PDB
PDBbind
152aa, >4JVB_1|Chain... at 100%
5e80
RCSB PDB
PDBbind
149aa, >5E80_1|Chains... at 99%
5f2u
RCSB PDB
PDBbind
149aa, >5F2U_1|Chains... at 100%
5ml2
RCSB PDB
PDBbind
149aa, >5ML2_1|Chain... at 100%
5ml3
RCSB PDB
PDBbind
149aa, >5ML3_1|Chain... at 100%
5ml4
RCSB PDB
PDBbind
149aa, >5ML4_1|Chain... at 100%
5ml6
RCSB PDB
PDBbind
149aa, >5ML6_1|Chain... at 100%
5ml8
RCSB PDB
PDBbind
149aa, >5ML8_1|Chain... at 100%
5tar
RCSB PDB
PDBbind
148aa, >5TAR_2|Chain... at 100%
5x72
RCSB PDB
PDBbind
150aa, >5X72_1|Chain... at 100%
5x73
RCSB PDB
PDBbind
150aa, >5X73_1|Chain... at 100%
5x74
RCSB PDB
PDBbind
150aa, >5X74_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
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3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
5e8f
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
PDE6 delta
Ligand Name
5-mer
EC.Number
E.C.3.1.4.35
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Embo Rep. Vol. 16: pp. 1583-1585
Ligand Properties
Formula
C
2
3
H
4
8
N
7
O
8
S
Molecular Weight
582.734
Exact Mass
582.329
No. of atoms
87
No. of bonds
86
Polar Surface Area
304.88
LOGP Value
-3.62 (
Computed with XLOGP3
)
-4.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CS)[C@H](O)C)CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])[NH3+]
InChI String
InChI=1S/C23H45N7O8S/c1-13(32)18(22(36)29-17(12-39)23(37)38-2)30-20(34)15(8-4-6-10-25)27-21(35)16(11-31)28-19(33)14(26)7-3-5-9-24/h13-18,31-32,39H,3-12,24-26H2,1-2H3,(H,27,35)(H,28,33)(H,29,36)(H,30,34)/p+3/t13-,14+,15+,16+,17+,18+/m1/s1
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):
P51160
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5146
5147
ASD
Information of known allosteric effects of PDB entries
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