Browse entries in the PDBbind-CN Database
HEADER 6EQ5_COMPLEX COMPND 6EQ5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 GLY ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN SEQRES 2 A 155 PRO GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE SEQRES 3 A 155 GLY ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN SEQRES 4 A 155 GLU GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU SEQRES 5 A 155 GLN GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS SEQRES 6 A 155 VAL GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU SEQRES 7 A 155 LEU MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN SEQRES 8 A 155 GLY THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP SEQRES 9 A 155 PHE GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO SEQRES 10 A 155 ASP ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS SEQRES 11 A 155 LYS PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR SEQRES 12 A 155 ILE LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET AX A 7 17 ATOM 1 N GLY A 2 -14.115 -7.238 14.190 1.00 41.59 N ATOM 2 CA GLY A 2 -15.222 -7.456 15.104 1.00 43.26 C ATOM 3 C GLY A 2 -16.424 -6.554 14.873 1.00 46.23 C ATOM 4 O GLY A 2 -16.544 -5.921 13.821 1.00 41.74 O ATOM 5 HN3 GLY A 2 -13.779 -6.258 14.282 1.00 0.00 H ATOM 6 HN2 GLY A 2 -14.434 -7.406 13.215 1.00 0.00 H ATOM 7 HN1 GLY A 2 -13.342 -7.894 14.421 1.00 0.00 H ATOM 8 N ALA A 3 -17.309 -6.498 15.867 1.00 37.89 N ATOM 9 CA ALA A 3 -18.537 -5.719 15.753 1.00 48.84 C ATOM 10 C ALA A 3 -18.221 -4.230 15.644 1.00 35.43 C ATOM 11 O ALA A 3 -17.464 -3.679 16.452 1.00 34.02 O ATOM 12 H ALA A 3 -17.120 -7.022 16.745 1.00 0.00 H ATOM 13 N SER A 4 -18.803 -3.577 14.642 1.00 41.98 N ATOM 14 CA SER A 4 -18.589 -2.156 14.423 1.00 33.59 C ATOM 15 C SER A 4 -19.921 -1.465 14.170 1.00 36.25 C ATOM 16 O SER A 4 -20.833 -2.036 13.564 1.00 41.30 O ATOM 17 CB SER A 4 -17.638 -1.912 13.249 1.00 38.51 C ATOM 18 OG SER A 4 -18.153 -2.452 12.046 1.00 52.73 O ATOM 19 HG SER A 4 -19.023 -2.026 11.840 1.00 0.00 H ATOM 20 H SER A 4 -19.430 -4.098 13.996 1.00 0.00 H ATOM 21 N ARG A 5 -20.032 -0.230 14.648 1.00 31.37 N ATOM 22 CA ARG A 5 -21.226 0.574 14.422 1.00 30.32 C ATOM 23 C ARG A 5 -20.984 1.509 13.246 1.00 28.22 C ATOM 24 O ARG A 5 -19.922 2.136 13.150 1.00 22.55 O ATOM 25 CB ARG A 5 -21.604 1.387 15.658 1.00 24.46 C ATOM 26 CG ARG A 5 -22.951 2.072 15.533 1.00 27.27 C ATOM 27 CD ARG A 5 -23.967 1.525 16.521 1.00 38.97 C ATOM 28 H ARG A 5 -19.246 0.173 15.198 1.00 0.00 H ATOM 29 N LEU A 6 -21.972 1.578 12.349 1.00 24.10 N ATOM 30 CA LEU A 6 -21.883 2.396 11.141 1.00 25.53 C ATOM 31 C LEU A 6 -22.105 3.866 11.452 1.00 23.72 C ATOM 32 O LEU A 6 -23.093 4.236 12.099 1.00 28.02 O ATOM 33 CB LEU A 6 -22.927 1.951 10.124 1.00 29.07 C ATOM 34 CG LEU A 6 -22.738 0.591 9.482 1.00 32.53 C ATOM 35 CD1 LEU A 6 -23.893 0.330 8.529 1.00 32.24 C ATOM 36 CD2 LEU A 6 -21.416 0.555 8.749 1.00 30.69 C ATOM 37 H LEU A 6 -22.838 1.028 12.517 1.00 0.00 H ATOM 38 N TYR A 7 -21.204 4.709 10.956 1.00 17.14 N ATOM 39 CA TYR A 7 -21.382 6.148 11.009 1.00 22.34 C ATOM 40 C TYR A 7 -21.112 6.731 9.626 1.00 21.89 C ATOM 41 O TYR A 7 -20.449 6.123 8.778 1.00 21.34 O ATOM 42 CB TYR A 7 -20.454 6.819 12.052 1.00 24.14 C ATOM 43 CG TYR A 7 -20.686 6.434 13.513 1.00 22.89 C ATOM 44 CD1 TYR A 7 -20.178 5.247 14.027 1.00 20.45 C ATOM 45 CD2 TYR A 7 -21.382 7.273 14.376 1.00 22.72 C ATOM 46 CE1 TYR A 7 -20.368 4.893 15.348 1.00 26.95 C ATOM 47 CE2 TYR A 7 -21.577 6.931 15.715 1.00 29.16 C ATOM 48 CZ TYR A 7 -21.066 5.732 16.190 1.00 28.18 C ATOM 49 OH TYR A 7 -21.237 5.366 17.509 1.00 35.90 O ATOM 50 HH TYR A 7 -20.809 4.487 17.665 1.00 0.00 H ATOM 51 H TYR A 7 -20.344 4.324 10.516 1.00 0.00 H ATOM 52 N THR A 8 -21.653 7.916 9.395 1.00 18.77 N ATOM 53 CA THR A 8 -21.345 8.661 8.188 1.00 16.73 C ATOM 54 C THR A 8 -20.603 9.949 8.527 1.00 16.51 C ATOM 55 O THR A 8 -20.714 10.490 9.632 1.00 17.88 O ATOM 56 CB THR A 8 -22.619 9.008 7.421 1.00 22.07 C ATOM 57 OG1 THR A 8 -23.449 9.784 8.277 1.00 18.39 O ATOM 58 CG2 THR A 8 -23.376 7.743 6.987 1.00 21.64 C ATOM 59 HG1 THR A 8 -23.669 9.259 9.087 1.00 0.00 H ATOM 60 H THR A 8 -22.311 8.321 10.091 1.00 0.00 H ATOM 61 N LEU A 9 -19.864 10.453 7.541 1.00 20.56 N ATOM 62 CA LEU A 9 -19.139 11.718 7.677 1.00 20.83 C ATOM 63 C LEU A 9 -19.110 12.392 6.315 1.00 22.85 C ATOM 64 O LEU A 9 -18.589 11.833 5.346 1.00 19.43 O ATOM 65 CB LEU A 9 -17.721 11.484 8.212 1.00 19.35 C ATOM 66 CG LEU A 9 -16.835 12.674 8.583 1.00 24.28 C ATOM 67 CD1 LEU A 9 -17.591 13.647 9.449 1.00 28.02 C ATOM 68 CD2 LEU A 9 -15.623 12.155 9.324 1.00 25.35 C ATOM 69 H LEU A 9 -19.799 9.931 6.644 1.00 0.00 H ATOM 70 N VAL A 10 -19.689 13.587 6.232 1.00 19.62 N ATOM 71 CA VAL A 10 -19.854 14.287 4.962 1.00 16.65 C ATOM 72 C VAL A 10 -19.077 15.587 5.029 1.00 16.39 C ATOM 73 O VAL A 10 -19.296 16.393 5.942 1.00 18.46 O ATOM 74 CB VAL A 10 -21.335 14.567 4.659 1.00 18.82 C ATOM 75 CG1 VAL A 10 -21.470 15.428 3.402 1.00 20.21 C ATOM 76 CG2 VAL A 10 -22.084 13.252 4.510 1.00 23.61 C ATOM 77 H VAL A 10 -20.036 14.038 7.102 1.00 0.00 H ATOM 78 N LEU A 11 -18.189 15.798 4.059 1.00 16.96 N ATOM 79 CA LEU A 11 -17.464 17.049 3.898 1.00 17.44 C ATOM 80 C LEU A 11 -18.024 17.780 2.684 1.00 23.10 C ATOM 81 O LEU A 11 -18.005 17.252 1.561 1.00 19.27 O ATOM 82 CB LEU A 11 -15.965 16.798 3.722 1.00 19.96 C ATOM 83 CG LEU A 11 -15.186 16.431 4.982 1.00 26.52 C ATOM 84 CD1 LEU A 11 -15.531 17.356 6.157 1.00 25.83 C ATOM 85 CD2 LEU A 11 -15.404 14.975 5.346 1.00 33.94 C ATOM 86 H LEU A 11 -18.005 15.030 3.383 1.00 0.00 H ATOM 87 N VAL A 12 -18.521 18.991 2.908 1.00 20.99 N ATOM 88 CA VAL A 12 -18.963 19.854 1.826 1.00 19.30 C ATOM 89 C VAL A 12 -17.726 20.605 1.359 1.00 22.09 C ATOM 90 O VAL A 12 -17.280 21.557 1.997 1.00 19.43 O ATOM 91 CB VAL A 12 -20.074 20.799 2.273 1.00 21.51 C ATOM 92 CG1 VAL A 12 -20.486 21.702 1.109 1.00 27.25 C ATOM 93 CG2 VAL A 12 -21.253 19.985 2.769 1.00 19.87 C ATOM 94 H VAL A 12 -18.596 19.332 3.888 1.00 0.00 H ATOM 95 N LEU A 13 -17.164 20.157 0.247 1.00 24.45 N ATOM 96 CA LEU A 13 -15.839 20.566 -0.199 1.00 28.16 C ATOM 97 C LEU A 13 -15.974 21.190 -1.581 1.00 25.66 C ATOM 98 O LEU A 13 -16.256 20.490 -2.563 1.00 23.91 O ATOM 99 CB LEU A 13 -14.892 19.369 -0.221 1.00 24.80 C ATOM 100 CG LEU A 13 -13.463 19.600 -0.712 1.00 30.32 C ATOM 101 CD1 LEU A 13 -12.737 20.624 0.152 1.00 23.41 C ATOM 102 CD2 LEU A 13 -12.710 18.269 -0.734 1.00 32.37 C ATOM 103 H LEU A 13 -17.695 19.480 -0.337 1.00 0.00 H ATOM 104 N GLN A 14 -15.786 22.494 -1.651 1.00 21.87 N ATOM 105 CA GLN A 14 -15.818 23.270 -2.877 1.00 26.42 C ATOM 106 C GLN A 14 -14.406 23.675 -3.266 1.00 21.64 C ATOM 107 O GLN A 14 -13.467 23.522 -2.482 1.00 26.66 O ATOM 108 CB GLN A 14 -16.720 24.490 -2.687 1.00 28.33 C ATOM 109 CG GLN A 14 -18.095 24.085 -2.172 1.00 27.84 C ATOM 110 CD GLN A 14 -19.075 25.238 -2.081 1.00 28.48 C ATOM 111 OE1 GLN A 14 -18.773 26.290 -1.520 1.00 33.90 O ATOM 112 NE2 GLN A 14 -20.269 25.032 -2.618 1.00 36.53 N ATOM 113 HE22 GLN A 14 -20.481 24.126 -3.083 1.00 0.00 H ATOM 114 HE21 GLN A 14 -20.994 25.776 -2.574 1.00 0.00 H ATOM 115 H GLN A 14 -15.601 23.003 -0.763 1.00 0.00 H ATOM 116 N PRO A 15 -14.199 24.144 -4.500 1.00 33.62 N ATOM 117 CA PRO A 15 -12.821 24.374 -4.960 1.00 30.67 C ATOM 118 C PRO A 15 -11.976 25.224 -4.028 1.00 34.87 C ATOM 119 O PRO A 15 -10.775 24.950 -3.894 1.00 34.49 O ATOM 120 CB PRO A 15 -13.031 25.049 -6.320 1.00 39.75 C ATOM 121 CG PRO A 15 -14.272 24.405 -6.831 1.00 37.15 C ATOM 122 CD PRO A 15 -15.159 24.237 -5.618 1.00 34.01 C ATOM 123 N GLN A 16 -12.557 26.218 -3.345 1.00 30.18 N ATOM 124 CA GLN A 16 -11.766 27.131 -2.529 1.00 33.89 C ATOM 125 C GLN A 16 -12.100 27.108 -1.040 1.00 40.43 C ATOM 126 O GLN A 16 -11.476 27.857 -0.275 1.00 32.10 O ATOM 127 CB GLN A 16 -11.920 28.563 -3.054 1.00 44.47 C ATOM 128 H GLN A 16 -13.588 26.341 -3.397 1.00 0.00 H ATOM 129 N ARG A 17 -13.037 26.266 -0.599 1.00 28.35 N ATOM 130 CA ARG A 17 -13.503 26.297 0.779 1.00 18.64 C ATOM 131 C ARG A 17 -14.112 24.949 1.151 1.00 20.70 C ATOM 132 O ARG A 17 -14.588 24.214 0.284 1.00 23.40 O ATOM 133 CB ARG A 17 -14.531 27.414 0.982 1.00 26.34 C ATOM 134 CG ARG A 17 -15.810 27.239 0.188 1.00 27.33 C ATOM 135 CD ARG A 17 -16.761 28.410 0.413 1.00 28.41 C ATOM 136 NE ARG A 17 -18.094 28.131 -0.111 1.00 27.77 N ATOM 137 CZ ARG A 17 -19.146 28.923 0.076 1.00 32.47 C ATOM 138 NH1 ARG A 17 -19.010 30.033 0.779 1.00 32.37 N ATOM 139 NH2 ARG A 17 -20.332 28.603 -0.434 1.00 37.40 N ATOM 140 HE ARG A 17 -18.230 27.261 -0.664 1.00 0.00 H ATOM 141 HH12 ARG A 17 -19.828 30.657 0.929 1.00 0.00 H ATOM 142 HH11 ARG A 17 -18.085 30.283 1.182 1.00 0.00 H ATOM 143 HH22 ARG A 17 -21.149 29.228 -0.283 1.00 0.00 H ATOM 144 HH21 ARG A 17 -20.442 27.727 -0.984 1.00 0.00 H ATOM 145 H ARG A 17 -13.444 25.571 -1.257 1.00 0.00 H ATOM 146 N VAL A 18 -14.085 24.643 2.450 1.00 21.19 N ATOM 147 CA VAL A 18 -14.746 23.473 3.018 1.00 19.27 C ATOM 148 C VAL A 18 -15.561 23.906 4.235 1.00 20.57 C ATOM 149 O VAL A 18 -15.125 24.742 5.041 1.00 19.80 O ATOM 150 CB VAL A 18 -13.723 22.376 3.392 1.00 23.45 C ATOM 151 CG1 VAL A 18 -12.749 22.890 4.428 1.00 22.03 C ATOM 152 CG2 VAL A 18 -14.413 21.083 3.876 1.00 22.66 C ATOM 153 H VAL A 18 -13.564 25.273 3.093 1.00 0.00 H ATOM 154 N LEU A 19 -16.747 23.330 4.377 1.00 19.49 N ATOM 155 CA LEU A 19 -17.629 23.648 5.493 1.00 19.31 C ATOM 156 C LEU A 19 -17.367 22.701 6.660 1.00 23.24 C ATOM 157 O LEU A 19 -17.347 21.482 6.482 1.00 22.62 O ATOM 158 CB LEU A 19 -19.093 23.542 5.062 1.00 16.08 C ATOM 159 CG LEU A 19 -20.113 23.823 6.156 1.00 22.36 C ATOM 160 CD1 LEU A 19 -20.039 25.296 6.543 1.00 18.52 C ATOM 161 CD2 LEU A 19 -21.488 23.478 5.621 1.00 21.68 C ATOM 162 H LEU A 19 -17.057 22.631 3.672 1.00 0.00 H ATOM 163 N LEU A 20 -17.151 23.262 7.845 1.00 18.81 N ATOM 164 CA LEU A 20 -17.085 22.470 9.062 1.00 17.60 C ATOM 165 C LEU A 20 -18.019 23.092 10.089 1.00 23.04 C ATOM 166 O LEU A 20 -18.345 24.280 10.013 1.00 22.40 O ATOM 167 CB LEU A 20 -15.658 22.392 9.631 1.00 15.85 C ATOM 168 CG LEU A 20 -14.646 21.778 8.664 1.00 22.22 C ATOM 169 CD1 LEU A 20 -13.198 22.088 9.059 1.00 17.60 C ATOM 170 CD2 LEU A 20 -14.895 20.258 8.501 1.00 17.47 C ATOM 171 H LEU A 20 -17.026 24.293 7.903 1.00 0.00 H ATOM 172 N GLY A 21 -18.469 22.264 11.025 1.00 19.50 N ATOM 173 CA GLY A 21 -19.299 22.708 12.117 1.00 24.06 C ATOM 174 C GLY A 21 -18.673 22.437 13.473 1.00 23.92 C ATOM 175 O GLY A 21 -18.152 21.342 13.742 1.00 20.90 O ATOM 176 H GLY A 21 -18.213 21.258 10.968 1.00 0.00 H ATOM 177 N MET A 22 -18.719 23.440 14.345 1.00 20.62 N ATOM 178 CA MET A 22 -18.124 23.288 15.662 1.00 20.39 C ATOM 179 C MET A 22 -19.153 22.562 16.522 1.00 24.91 C ATOM 180 O MET A 22 -20.248 23.089 16.760 1.00 26.26 O ATOM 181 CB MET A 22 -17.767 24.649 16.263 1.00 25.74 C ATOM 182 CG MET A 22 -17.661 24.673 17.782 1.00 36.31 C ATOM 183 SD MET A 22 -16.385 23.540 18.418 1.00 30.74 S ATOM 184 CE MET A 22 -14.905 24.261 17.710 1.00 34.12 C ATOM 185 H MET A 22 -19.181 24.334 14.084 1.00 0.00 H ATOM 186 N LYS A 23 -18.817 21.352 16.956 1.00 24.86 N ATOM 187 CA LYS A 23 -19.739 20.529 17.733 1.00 23.51 C ATOM 188 C LYS A 23 -19.891 21.079 19.148 1.00 30.37 C ATOM 189 O LYS A 23 -18.920 21.150 19.907 1.00 32.75 O ATOM 190 CB LYS A 23 -19.233 19.092 17.762 1.00 28.01 C ATOM 191 CG LYS A 23 -20.222 18.057 18.275 1.00 33.79 C ATOM 192 CD LYS A 23 -19.677 16.640 18.014 1.00 25.85 C ATOM 193 CE LYS A 23 -20.492 15.569 18.728 1.00 42.71 C ATOM 194 NZ LYS A 23 -21.925 15.649 18.379 1.00 52.60 N ATOM 195 HZ1 LYS A 23 -22.296 16.581 18.654 1.00 0.00 H ATOM 196 HZ2 LYS A 23 -22.039 15.518 17.354 1.00 0.00 H ATOM 197 HZ3 LYS A 23 -22.446 14.904 18.885 1.00 0.00 H ATOM 198 H LYS A 23 -17.871 20.981 16.736 1.00 0.00 H ATOM 199 N LYS A 24 -21.118 21.446 19.510 1.00 34.69 N ATOM 200 CA LYS A 24 -21.350 22.148 20.763 1.00 34.39 C ATOM 201 C LYS A 24 -21.543 21.220 21.956 1.00 39.89 C ATOM 202 O LYS A 24 -21.214 21.607 23.083 1.00 47.17 O ATOM 203 CB LYS A 24 -22.569 23.064 20.635 1.00 32.14 C ATOM 204 CG LYS A 24 -22.314 24.330 19.861 1.00 32.81 C ATOM 205 CD LYS A 24 -23.569 25.188 19.857 1.00 36.08 C ATOM 206 CE LYS A 24 -23.375 26.469 19.086 1.00 39.08 C ATOM 207 NZ LYS A 24 -24.597 27.315 19.196 1.00 41.01 N ATOM 208 HZ1 LYS A 24 -25.411 26.798 18.806 1.00 0.00 H ATOM 209 HZ2 LYS A 24 -24.774 27.539 20.196 1.00 0.00 H ATOM 210 HZ3 LYS A 24 -24.456 28.196 18.662 1.00 0.00 H ATOM 211 H LYS A 24 -21.923 21.228 18.888 1.00 0.00 H ATOM 212 N ARG A 25 -22.057 20.009 21.751 1.00 40.21 N ATOM 213 CA ARG A 25 -22.325 19.104 22.860 1.00 43.18 C ATOM 214 C ARG A 25 -22.008 17.673 22.448 1.00 43.38 C ATOM 215 O ARG A 25 -21.939 17.349 21.261 1.00 40.30 O ATOM 216 CB ARG A 25 -23.785 19.205 23.326 1.00 44.50 C ATOM 217 CG ARG A 25 -24.805 19.000 22.211 1.00 44.51 C ATOM 218 H ARG A 25 -22.271 19.704 20.780 1.00 0.00 H ATOM 219 N GLY A 26 -21.813 16.818 23.448 1.00 51.34 N ATOM 220 CA GLY A 26 -21.624 15.396 23.213 1.00 40.65 C ATOM 221 C GLY A 26 -20.167 14.988 23.075 1.00 46.60 C ATOM 222 O GLY A 26 -19.234 15.709 23.443 1.00 54.44 O ATOM 223 H GLY A 26 -21.795 17.176 24.424 1.00 0.00 H ATOM 224 N PHE A 27 -19.980 13.796 22.513 1.00 46.14 N ATOM 225 CA PHE A 27 -18.650 13.214 22.379 1.00 41.04 C ATOM 226 C PHE A 27 -17.811 14.036 21.407 1.00 41.99 C ATOM 227 O PHE A 27 -18.184 14.208 20.242 1.00 41.95 O ATOM 228 CB PHE A 27 -18.760 11.766 21.912 1.00 46.15 C ATOM 229 CG PHE A 27 -17.445 11.038 21.873 1.00 43.59 C ATOM 230 CD1 PHE A 27 -16.843 10.601 23.041 1.00 43.71 C ATOM 231 CD2 PHE A 27 -16.814 10.788 20.666 1.00 43.56 C ATOM 232 CE1 PHE A 27 -15.631 9.924 23.006 1.00 42.64 C ATOM 233 CE2 PHE A 27 -15.608 10.116 20.625 1.00 37.97 C ATOM 234 CZ PHE A 27 -15.014 9.683 21.799 1.00 43.51 C ATOM 235 H PHE A 27 -20.803 13.267 22.161 1.00 0.00 H ATOM 236 N GLY A 28 -16.688 14.558 21.887 1.00 45.79 N ATOM 237 CA GLY A 28 -15.827 15.360 21.046 1.00 38.85 C ATOM 238 C GLY A 28 -16.293 16.775 20.803 1.00 36.97 C ATOM 239 O GLY A 28 -15.823 17.415 19.854 1.00 31.98 O ATOM 240 H GLY A 28 -16.425 14.388 22.879 1.00 0.00 H ATOM 241 N ALA A 29 -17.222 17.286 21.608 1.00 35.24 N ATOM 242 CA ALA A 29 -17.536 18.701 21.523 1.00 30.43 C ATOM 243 C ALA A 29 -16.258 19.520 21.668 1.00 30.97 C ATOM 244 O ALA A 29 -15.294 19.096 22.311 1.00 31.48 O ATOM 245 CB ALA A 29 -18.553 19.099 22.597 1.00 43.90 C ATOM 246 H ALA A 29 -17.718 16.678 22.291 1.00 0.00 H ATOM 247 N GLY A 30 -16.252 20.700 21.048 1.00 26.27 N ATOM 248 CA GLY A 30 -15.085 21.554 21.014 1.00 33.58 C ATOM 249 C GLY A 30 -14.233 21.412 19.770 1.00 32.63 C ATOM 250 O GLY A 30 -13.254 22.159 19.616 1.00 33.52 O ATOM 251 H GLY A 30 -17.119 21.019 20.571 1.00 0.00 H ATOM 252 N ARG A 31 -14.573 20.482 18.881 1.00 26.66 N ATOM 253 CA ARG A 31 -13.817 20.247 17.660 1.00 24.15 C ATOM 254 C ARG A 31 -14.665 20.550 16.429 1.00 22.99 C ATOM 255 O ARG A 31 -15.885 20.374 16.433 1.00 23.65 O ATOM 256 CB ARG A 31 -13.320 18.804 17.597 1.00 25.32 C ATOM 257 CG ARG A 31 -12.019 18.572 18.363 1.00 22.06 C ATOM 258 CD ARG A 31 -11.843 17.127 18.782 1.00 29.42 C ATOM 259 NE ARG A 31 -10.566 16.942 19.472 1.00 32.41 N ATOM 260 CZ ARG A 31 -10.085 15.769 19.873 1.00 35.33 C ATOM 261 NH1 ARG A 31 -10.767 14.657 19.647 1.00 28.32 N ATOM 262 NH2 ARG A 31 -8.904 15.706 20.483 1.00 31.51 N ATOM 263 HE ARG A 31 -9.993 17.789 19.663 1.00 0.00 H ATOM 264 HH12 ARG A 31 -10.388 13.741 19.962 1.00 0.00 H ATOM 265 HH11 ARG A 31 -11.682 14.699 19.154 1.00 0.00 H ATOM 266 HH22 ARG A 31 -8.529 14.788 20.796 1.00 0.00 H ATOM 267 HH21 ARG A 31 -8.356 16.575 20.647 1.00 0.00 H ATOM 268 H ARG A 31 -15.414 19.899 19.067 1.00 0.00 H ATOM 269 N TRP A 32 -14.003 21.017 15.372 1.00 22.37 N ATOM 270 CA TRP A 32 -14.659 21.222 14.082 1.00 17.56 C ATOM 271 C TRP A 32 -14.818 19.876 13.379 1.00 19.28 C ATOM 272 O TRP A 32 -13.832 19.169 13.168 1.00 30.72 O ATOM 273 CB TRP A 32 -13.854 22.191 13.212 1.00 18.68 C ATOM 274 CG TRP A 32 -13.760 23.586 13.790 1.00 17.66 C ATOM 275 CD1 TRP A 32 -12.745 24.089 14.551 1.00 20.72 C ATOM 276 CD2 TRP A 32 -14.704 24.650 13.623 1.00 21.39 C ATOM 277 NE1 TRP A 32 -13.009 25.405 14.892 1.00 24.18 N ATOM 278 CE2 TRP A 32 -14.207 25.770 14.332 1.00 31.58 C ATOM 279 CE3 TRP A 32 -15.930 24.762 12.950 1.00 16.04 C ATOM 280 CZ2 TRP A 32 -14.891 26.994 14.381 1.00 28.79 C ATOM 281 CZ3 TRP A 32 -16.609 25.991 12.988 1.00 23.09 C ATOM 282 CH2 TRP A 32 -16.083 27.085 13.704 1.00 22.46 C ATOM 283 HE1 TRP A 32 -12.401 26.015 15.475 1.00 0.00 H ATOM 284 H TRP A 32 -12.992 21.242 15.467 1.00 0.00 H ATOM 285 N ASN A 33 -16.055 19.521 13.038 1.00 19.44 N ATOM 286 CA ASN A 33 -16.382 18.247 12.404 1.00 22.13 C ATOM 287 C ASN A 33 -17.081 18.474 11.070 1.00 23.57 C ATOM 288 O ASN A 33 -17.644 19.544 10.808 1.00 20.26 O ATOM 289 CB ASN A 33 -17.306 17.396 13.296 1.00 24.52 C ATOM 290 CG ASN A 33 -16.623 16.883 14.551 1.00 38.96 C ATOM 291 OD1 ASN A 33 -16.537 17.582 15.562 1.00 34.96 O ATOM 292 ND2 ASN A 33 -16.159 15.640 14.501 1.00 35.71 N ATOM 293 HD22 ASN A 33 -16.253 15.085 13.627 1.00 0.00 H ATOM 294 HD21 ASN A 33 -15.702 15.222 15.336 1.00 0.00 H ATOM 295 H ASN A 33 -16.830 20.187 13.234 1.00 0.00 H ATOM 296 N GLY A 34 -17.029 17.453 10.220 1.00 17.05 N ATOM 297 CA GLY A 34 -18.009 17.328 9.169 1.00 19.48 C ATOM 298 C GLY A 34 -19.332 16.878 9.763 1.00 20.39 C ATOM 299 O GLY A 34 -19.503 16.768 10.979 1.00 21.48 O ATOM 300 H GLY A 34 -16.277 16.740 10.313 1.00 0.00 H ATOM 301 N PHE A 35 -20.286 16.602 8.880 1.00 16.34 N ATOM 302 CA PHE A 35 -21.647 16.294 9.301 1.00 20.34 C ATOM 303 C PHE A 35 -21.941 14.812 9.104 1.00 22.08 C ATOM 304 O PHE A 35 -21.546 14.216 8.099 1.00 21.65 O ATOM 305 CB PHE A 35 -22.645 17.166 8.546 1.00 21.02 C ATOM 306 CG PHE A 35 -22.312 18.628 8.637 1.00 16.11 C ATOM 307 CD1 PHE A 35 -22.669 19.363 9.752 1.00 21.17 C ATOM 308 CD2 PHE A 35 -21.565 19.233 7.646 1.00 27.92 C ATOM 309 CE1 PHE A 35 -22.326 20.689 9.861 1.00 26.29 C ATOM 310 CE2 PHE A 35 -21.221 20.571 7.742 1.00 25.95 C ATOM 311 CZ PHE A 35 -21.597 21.295 8.843 1.00 24.27 C ATOM 312 H PHE A 35 -20.056 16.606 7.866 1.00 0.00 H ATOM 313 N GLY A 36 -22.626 14.218 10.068 1.00 22.74 N ATOM 314 CA GLY A 36 -22.881 12.795 9.993 1.00 20.99 C ATOM 315 C GLY A 36 -23.250 12.228 11.348 1.00 22.93 C ATOM 316 O GLY A 36 -23.412 12.943 12.332 1.00 27.41 O ATOM 317 H GLY A 36 -22.979 14.771 10.875 1.00 0.00 H ATOM 318 N GLY A 37 -23.388 10.911 11.365 1.00 19.32 N ATOM 319 CA GLY A 37 -23.812 10.245 12.579 1.00 25.00 C ATOM 320 C GLY A 37 -24.223 8.830 12.249 1.00 21.68 C ATOM 321 O GLY A 37 -23.809 8.277 11.235 1.00 19.57 O ATOM 322 H GLY A 37 -23.192 10.356 10.508 1.00 0.00 H ATOM 323 N LYS A 38 -25.051 8.266 13.118 1.00 24.47 N ATOM 324 CA LYS A 38 -25.428 6.874 12.974 1.00 21.80 C ATOM 325 C LYS A 38 -26.373 6.689 11.795 1.00 21.04 C ATOM 326 O LYS A 38 -27.059 7.615 11.361 1.00 24.89 O ATOM 327 CB LYS A 38 -26.076 6.361 14.264 1.00 30.38 C ATOM 328 CG LYS A 38 -25.178 6.400 15.489 1.00 38.21 C ATOM 329 CD LYS A 38 -25.935 5.961 16.734 1.00 48.41 C ATOM 330 CE LYS A 38 -25.290 6.511 17.994 1.00 45.79 C ATOM 331 H LYS A 38 -25.432 8.826 13.907 1.00 0.00 H ATOM 332 N VAL A 39 -26.361 5.482 11.253 1.00 22.77 N ATOM 333 CA VAL A 39 -27.236 5.051 10.172 1.00 23.32 C ATOM 334 C VAL A 39 -28.419 4.319 10.792 1.00 28.14 C ATOM 335 O VAL A 39 -28.255 3.574 11.766 1.00 31.34 O ATOM 336 CB VAL A 39 -26.478 4.133 9.196 1.00 21.47 C ATOM 337 CG1 VAL A 39 -27.371 3.692 8.062 1.00 25.89 C ATOM 338 CG2 VAL A 39 -25.195 4.830 8.669 1.00 23.25 C ATOM 339 H VAL A 39 -25.678 4.792 11.626 1.00 0.00 H ATOM 340 N GLN A 40 -29.603 4.513 10.234 1.00 21.51 N ATOM 341 CA GLN A 40 -30.776 3.896 10.843 1.00 26.75 C ATOM 342 C GLN A 40 -31.038 2.505 10.274 1.00 23.04 C ATOM 343 O GLN A 40 -30.561 2.140 9.193 1.00 28.70 O ATOM 344 CB GLN A 40 -32.006 4.776 10.652 1.00 34.61 C ATOM 345 CG GLN A 40 -31.864 6.142 11.313 1.00 39.38 C ATOM 346 CD GLN A 40 -33.138 6.947 11.248 1.00 40.18 C ATOM 347 OE1 GLN A 40 -34.040 6.644 10.462 1.00 48.94 O ATOM 348 NE2 GLN A 40 -33.219 7.989 12.065 1.00 48.77 N ATOM 349 HE22 GLN A 40 -32.433 8.206 12.711 1.00 0.00 H ATOM 350 HE21 GLN A 40 -34.068 8.589 12.060 1.00 0.00 H ATOM 351 H GLN A 40 -29.696 5.095 9.377 1.00 0.00 H ATOM 352 N GLU A 41 -31.812 1.729 11.025 1.00 26.98 N ATOM 353 CA GLU A 41 -32.280 0.441 10.535 1.00 25.77 C ATOM 354 C GLU A 41 -33.107 0.642 9.268 1.00 22.61 C ATOM 355 O GLU A 41 -33.974 1.518 9.213 1.00 28.11 O ATOM 356 CB GLU A 41 -33.110 -0.253 11.626 1.00 25.67 C ATOM 357 CG GLU A 41 -32.331 -0.550 12.915 1.00 28.11 C ATOM 358 CD GLU A 41 -33.192 -1.155 14.018 1.00 43.24 C ATOM 359 OE1 GLU A 41 -34.428 -1.226 13.838 1.00 43.84 O ATOM 360 OE2 GLU A 41 -32.631 -1.556 15.069 1.00 41.19 O ATOM 361 H GLU A 41 -32.087 2.046 11.976 1.00 0.00 H ATOM 362 N GLY A 42 -32.826 -0.157 8.240 1.00 26.01 N ATOM 363 CA GLY A 42 -33.539 -0.049 6.984 1.00 28.53 C ATOM 364 C GLY A 42 -33.100 1.093 6.095 1.00 27.04 C ATOM 365 O GLY A 42 -33.751 1.356 5.081 1.00 29.41 O ATOM 366 H GLY A 42 -32.079 -0.873 8.341 1.00 0.00 H ATOM 367 N GLU A 43 -32.003 1.766 6.428 1.00 27.24 N ATOM 368 CA GLU A 43 -31.517 2.921 5.686 1.00 30.93 C ATOM 369 C GLU A 43 -30.159 2.580 5.083 1.00 33.88 C ATOM 370 O GLU A 43 -29.294 2.036 5.776 1.00 31.80 O ATOM 371 CB GLU A 43 -31.433 4.123 6.625 1.00 36.73 C ATOM 372 CG GLU A 43 -30.857 5.403 6.064 1.00 32.25 C ATOM 373 CD GLU A 43 -30.797 6.488 7.136 1.00 19.43 C ATOM 374 OE1 GLU A 43 -30.011 6.354 8.097 1.00 28.76 O ATOM 375 OE2 GLU A 43 -31.540 7.486 7.026 1.00 29.85 O ATOM 376 H GLU A 43 -31.465 1.452 7.260 1.00 0.00 H ATOM 377 N THR A 44 -29.981 2.863 3.790 1.00 28.12 N ATOM 378 CA THR A 44 -28.668 2.657 3.195 1.00 25.47 C ATOM 379 C THR A 44 -27.680 3.681 3.751 1.00 29.32 C ATOM 380 O THR A 44 -28.056 4.702 4.336 1.00 27.79 O ATOM 381 CB THR A 44 -28.718 2.743 1.666 1.00 34.33 C ATOM 382 OG1 THR A 44 -28.582 4.103 1.236 1.00 48.43 O ATOM 383 CG2 THR A 44 -30.025 2.163 1.119 1.00 41.77 C ATOM 384 HG1 THR A 44 -28.616 4.140 0.247 1.00 0.00 H ATOM 385 H THR A 44 -30.769 3.225 3.216 1.00 0.00 H ATOM 386 N ILE A 45 -26.394 3.371 3.597 1.00 24.13 N ATOM 387 CA ILE A 45 -25.361 4.230 4.167 1.00 27.81 C ATOM 388 C ILE A 45 -25.424 5.606 3.531 1.00 21.17 C ATOM 389 O ILE A 45 -25.417 6.631 4.230 1.00 26.39 O ATOM 390 CB ILE A 45 -23.974 3.577 4.006 1.00 27.05 C ATOM 391 CG1 ILE A 45 -23.895 2.296 4.854 1.00 28.59 C ATOM 392 CG2 ILE A 45 -22.864 4.569 4.368 1.00 34.13 C ATOM 393 CD1 ILE A 45 -22.563 1.560 4.768 1.00 24.95 C ATOM 394 H ILE A 45 -26.126 2.516 3.070 1.00 0.00 H ATOM 395 N GLU A 46 -25.538 5.648 2.200 1.00 22.47 N ATOM 396 CA GLU A 46 -25.616 6.919 1.480 1.00 24.22 C ATOM 397 C GLU A 46 -26.867 7.705 1.861 1.00 27.78 C ATOM 398 O GLU A 46 -26.803 8.925 2.052 1.00 22.27 O ATOM 399 CB GLU A 46 -25.562 6.672 -0.035 1.00 29.91 C ATOM 400 CG GLU A 46 -25.676 7.938 -0.892 1.00 42.15 C ATOM 401 CD GLU A 46 -25.382 7.695 -2.367 1.00 40.84 C ATOM 402 OE1 GLU A 46 -24.484 6.885 -2.678 1.00 54.74 O ATOM 403 OE2 GLU A 46 -26.040 8.325 -3.220 1.00 55.78 O ATOM 404 H GLU A 46 -25.572 4.757 1.664 1.00 0.00 H ATOM 405 N ASP A 47 -28.009 7.030 2.007 1.00 30.07 N ATOM 406 CA ASP A 47 -29.203 7.743 2.452 1.00 34.91 C ATOM 407 C ASP A 47 -29.027 8.321 3.856 1.00 20.85 C ATOM 408 O ASP A 47 -29.487 9.432 4.132 1.00 27.15 O ATOM 409 CB ASP A 47 -30.422 6.824 2.385 1.00 41.19 C ATOM 410 CG ASP A 47 -30.886 6.585 0.957 1.00 38.71 C ATOM 411 OD1 ASP A 47 -30.334 7.225 0.036 1.00 44.45 O ATOM 412 OD2 ASP A 47 -31.797 5.757 0.756 1.00 48.10 O ATOM 413 H ASP A 47 -28.048 6.010 1.807 1.00 0.00 H ATOM 414 N GLY A 48 -28.364 7.588 4.756 1.00 24.68 N ATOM 415 CA GLY A 48 -28.109 8.125 6.085 1.00 26.97 C ATOM 416 C GLY A 48 -27.191 9.335 6.064 1.00 27.01 C ATOM 417 O GLY A 48 -27.367 10.280 6.839 1.00 22.28 O ATOM 418 H GLY A 48 -28.031 6.635 4.507 1.00 0.00 H ATOM 419 N ALA A 49 -26.187 9.318 5.189 1.00 20.71 N ATOM 420 CA ALA A 49 -25.300 10.472 5.097 1.00 23.01 C ATOM 421 C ALA A 49 -26.050 11.687 4.578 1.00 26.82 C ATOM 422 O ALA A 49 -25.853 12.805 5.070 1.00 28.73 O ATOM 423 CB ALA A 49 -24.106 10.145 4.205 1.00 23.16 C ATOM 424 H ALA A 49 -26.037 8.490 4.578 1.00 0.00 H ATOM 425 N ARG A 50 -26.923 11.481 3.592 1.00 27.46 N ATOM 426 CA ARG A 50 -27.741 12.569 3.082 1.00 28.96 C ATOM 427 C ARG A 50 -28.669 13.102 4.166 1.00 21.03 C ATOM 428 O ARG A 50 -28.795 14.319 4.344 1.00 25.56 O ATOM 429 CB ARG A 50 -28.533 12.080 1.869 1.00 33.22 C ATOM 430 CG ARG A 50 -29.136 13.176 1.012 1.00 35.93 C ATOM 431 CD ARG A 50 -29.847 12.554 -0.178 1.00 41.38 C ATOM 432 NE ARG A 50 -28.970 11.627 -0.891 1.00 35.26 N ATOM 433 CZ ARG A 50 -28.273 11.942 -1.976 1.00 42.47 C ATOM 434 NH1 ARG A 50 -28.360 13.163 -2.490 1.00 42.87 N ATOM 435 NH2 ARG A 50 -27.497 11.035 -2.554 1.00 48.36 N ATOM 436 HE ARG A 50 -28.887 10.657 -0.524 1.00 0.00 H ATOM 437 HH12 ARG A 50 -27.814 13.410 -3.340 1.00 0.00 H ATOM 438 HH11 ARG A 50 -28.974 13.873 -2.043 1.00 0.00 H ATOM 439 HH22 ARG A 50 -26.951 11.283 -3.404 1.00 0.00 H ATOM 440 HH21 ARG A 50 -27.434 10.076 -2.157 1.00 0.00 H ATOM 441 H ARG A 50 -27.020 10.530 3.182 1.00 0.00 H ATOM 442 N ARG A 51 -29.320 12.203 4.913 1.00 25.58 N ATOM 443 CA ARG A 51 -30.209 12.644 5.987 1.00 30.91 C ATOM 444 C ARG A 51 -29.449 13.419 7.059 1.00 27.00 C ATOM 445 O ARG A 51 -29.876 14.501 7.484 1.00 28.00 O ATOM 446 CB ARG A 51 -30.931 11.445 6.609 1.00 29.90 C ATOM 447 CG ARG A 51 -31.693 11.803 7.890 1.00 23.80 C ATOM 448 CD ARG A 51 -32.292 10.561 8.555 1.00 33.74 C ATOM 449 NE ARG A 51 -31.287 9.515 8.708 1.00 33.78 N ATOM 450 CZ ARG A 51 -30.425 9.450 9.717 1.00 28.46 C ATOM 451 NH1 ARG A 51 -30.457 10.368 10.671 1.00 26.66 N ATOM 452 NH2 ARG A 51 -29.522 8.472 9.767 1.00 28.21 N ATOM 453 HE ARG A 51 -31.242 8.773 7.981 1.00 0.00 H ATOM 454 HH12 ARG A 51 -29.784 10.320 11.462 1.00 0.00 H ATOM 455 HH11 ARG A 51 -31.156 11.137 10.629 1.00 0.00 H ATOM 456 HH22 ARG A 51 -28.849 8.425 10.559 1.00 0.00 H ATOM 457 HH21 ARG A 51 -29.490 7.755 9.014 1.00 0.00 H ATOM 458 H ARG A 51 -29.193 11.187 4.729 1.00 0.00 H ATOM 459 N GLU A 52 -28.316 12.882 7.512 1.00 24.72 N ATOM 460 CA GLU A 52 -27.563 13.550 8.569 1.00 27.06 C ATOM 461 C GLU A 52 -27.052 14.922 8.137 1.00 27.02 C ATOM 462 O GLU A 52 -27.016 15.861 8.945 1.00 24.76 O ATOM 463 CB GLU A 52 -26.411 12.659 9.019 1.00 32.31 C ATOM 464 CG GLU A 52 -26.887 11.488 9.852 1.00 32.34 C ATOM 465 CD GLU A 52 -27.131 11.841 11.312 1.00 35.73 C ATOM 466 OE1 GLU A 52 -27.112 10.918 12.150 1.00 43.60 O ATOM 467 OE2 GLU A 52 -27.337 13.024 11.634 1.00 39.58 O ATOM 468 H GLU A 52 -27.969 11.987 7.112 1.00 0.00 H ATOM 469 N LEU A 53 -26.625 15.056 6.883 1.00 25.22 N ATOM 470 CA LEU A 53 -26.191 16.365 6.398 1.00 26.80 C ATOM 471 C LEU A 53 -27.324 17.382 6.486 1.00 28.60 C ATOM 472 O LEU A 53 -27.155 18.474 7.043 1.00 28.02 O ATOM 473 CB LEU A 53 -25.676 16.250 4.969 1.00 20.74 C ATOM 474 CG LEU A 53 -25.202 17.561 4.333 1.00 30.50 C ATOM 475 CD1 LEU A 53 -24.056 18.180 5.131 1.00 29.49 C ATOM 476 CD2 LEU A 53 -24.776 17.297 2.912 1.00 34.82 C ATOM 477 H LEU A 53 -26.600 14.231 6.250 1.00 0.00 H ATOM 478 N GLN A 54 -28.497 17.032 5.952 1.00 30.38 N ATOM 479 CA GLN A 54 -29.652 17.922 6.049 1.00 31.68 C ATOM 480 C GLN A 54 -30.007 18.215 7.500 1.00 33.96 C ATOM 481 O GLN A 54 -30.191 19.378 7.883 1.00 43.78 O ATOM 482 CB GLN A 54 -30.847 17.302 5.329 1.00 33.74 C ATOM 483 H GLN A 54 -28.589 16.119 5.463 1.00 0.00 H ATOM 484 N GLU A 55 -30.113 17.167 8.325 1.00 32.48 N ATOM 485 CA GLU A 55 -30.505 17.353 9.722 1.00 35.26 C ATOM 486 C GLU A 55 -29.557 18.299 10.448 1.00 37.94 C ATOM 487 O GLU A 55 -29.995 19.142 11.243 1.00 35.97 O ATOM 488 CB GLU A 55 -30.553 16.004 10.453 1.00 28.54 C ATOM 489 CG GLU A 55 -31.760 15.148 10.144 1.00 39.74 C ATOM 490 CD GLU A 55 -31.813 13.884 10.997 1.00 47.47 C ATOM 491 OE1 GLU A 55 -30.972 13.738 11.913 1.00 42.71 O ATOM 492 OE2 GLU A 55 -32.702 13.037 10.757 1.00 44.94 O ATOM 493 H GLU A 55 -29.915 16.210 7.969 1.00 0.00 H ATOM 494 N GLU A 56 -28.257 18.188 10.178 1.00 30.79 N ATOM 495 CA GLU A 56 -27.254 18.873 10.986 1.00 30.20 C ATOM 496 C GLU A 56 -26.791 20.194 10.392 1.00 34.17 C ATOM 497 O GLU A 56 -26.395 21.087 11.146 1.00 32.29 O ATOM 498 CB GLU A 56 -26.037 17.965 11.196 1.00 31.12 C ATOM 499 CG GLU A 56 -26.365 16.682 11.936 1.00 40.07 C ATOM 500 CD GLU A 56 -25.145 15.833 12.242 1.00 38.86 C ATOM 501 OE1 GLU A 56 -24.011 16.222 11.885 1.00 32.64 O ATOM 502 OE2 GLU A 56 -25.328 14.762 12.852 1.00 52.80 O ATOM 503 H GLU A 56 -27.951 17.601 9.375 1.00 0.00 H ATOM 504 N SER A 57 -26.813 20.342 9.065 1.00 32.22 N ATOM 505 CA SER A 57 -26.336 21.562 8.424 1.00 32.54 C ATOM 506 C SER A 57 -27.427 22.366 7.741 1.00 36.13 C ATOM 507 O SER A 57 -27.160 23.496 7.320 1.00 39.95 O ATOM 508 CB SER A 57 -25.250 21.242 7.383 1.00 21.98 C ATOM 509 OG SER A 57 -25.814 20.755 6.178 1.00 26.92 O ATOM 510 HG SER A 57 -26.324 19.927 6.365 1.00 0.00 H ATOM 511 H SER A 57 -27.179 19.568 8.474 1.00 0.00 H ATOM 512 N GLY A 58 -28.632 21.818 7.601 1.00 34.08 N ATOM 513 CA GLY A 58 -29.655 22.476 6.817 1.00 39.26 C ATOM 514 C GLY A 58 -29.456 22.409 5.321 1.00 31.72 C ATOM 515 O GLY A 58 -30.236 23.005 4.583 1.00 36.93 O ATOM 516 H GLY A 58 -28.840 20.908 8.060 1.00 0.00 H ATOM 517 N LEU A 59 -28.453 21.678 4.844 1.00 33.98 N ATOM 518 CA LEU A 59 -28.139 21.635 3.424 1.00 29.59 C ATOM 519 C LEU A 59 -28.775 20.434 2.733 1.00 31.63 C ATOM 520 O LEU A 59 -28.834 19.336 3.287 1.00 33.87 O ATOM 521 CB LEU A 59 -26.619 21.602 3.234 1.00 35.55 C ATOM 522 CG LEU A 59 -25.866 22.828 3.765 1.00 28.51 C ATOM 523 CD1 LEU A 59 -24.360 22.600 3.698 1.00 27.92 C ATOM 524 CD2 LEU A 59 -26.236 24.074 2.970 1.00 29.08 C ATOM 525 H LEU A 59 -27.876 21.120 5.506 1.00 0.00 H ATOM 526 N THR A 60 -29.226 20.642 1.500 1.00 37.54 N ATOM 527 CA THR A 60 -29.674 19.563 0.631 1.00 38.90 C ATOM 528 C THR A 60 -28.635 19.366 -0.460 1.00 31.28 C ATOM 529 O THR A 60 -28.176 20.341 -1.061 1.00 34.25 O ATOM 530 CB THR A 60 -31.040 19.874 0.014 1.00 41.15 C ATOM 531 OG1 THR A 60 -31.965 20.213 1.054 1.00 35.35 O ATOM 532 CG2 THR A 60 -31.560 18.682 -0.762 1.00 40.63 C ATOM 533 HG1 THR A 60 -32.849 20.414 0.655 1.00 0.00 H ATOM 534 H THR A 60 -29.260 21.617 1.141 1.00 0.00 H ATOM 535 N VAL A 61 -28.251 18.116 -0.707 1.00 42.83 N ATOM 536 CA VAL A 61 -27.228 17.845 -1.707 1.00 42.55 C ATOM 537 C VAL A 61 -27.762 16.887 -2.757 1.00 51.51 C ATOM 538 O VAL A 61 -28.618 16.039 -2.489 1.00 55.80 O ATOM 539 CB VAL A 61 -25.929 17.289 -1.089 1.00 40.13 C ATOM 540 CG1 VAL A 61 -25.227 18.386 -0.313 1.00 39.56 C ATOM 541 CG2 VAL A 61 -26.217 16.079 -0.214 1.00 36.05 C ATOM 542 H VAL A 61 -28.684 17.329 -0.183 1.00 0.00 H ATOM 543 N ASP A 62 -27.239 17.037 -3.971 1.00 48.28 N ATOM 544 CA ASP A 62 -27.525 16.100 -5.045 1.00 49.73 C ATOM 545 C ASP A 62 -26.574 14.915 -4.948 1.00 48.98 C ATOM 546 O ASP A 62 -26.849 13.942 -4.240 1.00 56.19 O ATOM 547 H ASP A 62 -26.610 17.844 -4.156 1.00 0.00 H ATOM 548 N ALA A 63 -25.445 14.993 -5.639 1.00 42.24 N ATOM 549 CA ALA A 63 -24.553 13.850 -5.737 1.00 50.90 C ATOM 550 C ALA A 63 -23.677 13.756 -4.495 1.00 29.55 C ATOM 551 O ALA A 63 -23.075 14.748 -4.073 1.00 32.81 O ATOM 552 CB ALA A 63 -23.693 13.958 -6.997 1.00 40.46 C ATOM 553 H ALA A 63 -25.195 15.882 -6.116 1.00 0.00 H ATOM 554 N LEU A 64 -23.620 12.567 -3.899 1.00 29.78 N ATOM 555 CA LEU A 64 -22.684 12.272 -2.827 1.00 21.90 C ATOM 556 C LEU A 64 -21.656 11.294 -3.365 1.00 33.77 C ATOM 557 O LEU A 64 -22.021 10.269 -3.945 1.00 34.57 O ATOM 558 CB LEU A 64 -23.393 11.669 -1.604 1.00 32.90 C ATOM 559 CG LEU A 64 -23.934 12.571 -0.488 1.00 30.10 C ATOM 560 CD1 LEU A 64 -24.795 11.745 0.472 1.00 38.59 C ATOM 561 CD2 LEU A 64 -22.819 13.293 0.287 1.00 24.58 C ATOM 562 H LEU A 64 -24.271 11.819 -4.213 1.00 0.00 H ATOM 563 N HIS A 65 -20.381 11.596 -3.171 1.00 24.17 N ATOM 564 CA HIS A 65 -19.316 10.710 -3.611 1.00 26.54 C ATOM 565 C HIS A 65 -18.662 10.053 -2.404 1.00 23.36 C ATOM 566 O HIS A 65 -18.232 10.739 -1.478 1.00 19.68 O ATOM 567 CB HIS A 65 -18.288 11.478 -4.441 1.00 24.56 C ATOM 568 CG HIS A 65 -18.898 12.229 -5.584 1.00 34.99 C ATOM 569 ND1 HIS A 65 -19.571 11.599 -6.608 1.00 39.97 N ATOM 570 CD2 HIS A 65 -18.978 13.555 -5.841 1.00 43.55 C ATOM 571 CE1 HIS A 65 -20.028 12.504 -7.456 1.00 44.23 C ATOM 572 NE2 HIS A 65 -19.680 13.699 -7.014 1.00 43.11 N ATOM 573 H HIS A 65 -20.136 12.487 -2.693 1.00 0.00 H ATOM 574 N LYS A 66 -18.567 8.727 -2.418 1.00 22.89 N ATOM 575 CA LYS A 66 -17.816 8.049 -1.371 1.00 20.07 C ATOM 576 C LYS A 66 -16.325 8.283 -1.586 1.00 21.87 C ATOM 577 O LYS A 66 -15.801 8.076 -2.687 1.00 31.42 O ATOM 578 CB LYS A 66 -18.141 6.550 -1.373 1.00 29.10 C ATOM 579 H LYS A 66 -19.026 8.177 -3.172 1.00 0.00 H ATOM 580 N VAL A 67 -15.642 8.745 -0.550 1.00 17.22 N ATOM 581 CA VAL A 67 -14.212 8.993 -0.647 1.00 18.88 C ATOM 582 C VAL A 67 -13.382 8.180 0.340 1.00 24.72 C ATOM 583 O VAL A 67 -12.174 8.011 0.117 1.00 21.37 O ATOM 584 CB VAL A 67 -13.916 10.493 -0.483 1.00 24.74 C ATOM 585 CG1 VAL A 67 -14.513 11.241 -1.641 1.00 30.85 C ATOM 586 CG2 VAL A 67 -14.492 10.995 0.831 1.00 25.32 C ATOM 587 H VAL A 67 -16.135 8.933 0.346 1.00 0.00 H ATOM 588 N GLY A 68 -13.953 7.643 1.412 1.00 24.18 N ATOM 589 CA GLY A 68 -13.114 6.918 2.348 1.00 21.12 C ATOM 590 C GLY A 68 -13.892 6.043 3.296 1.00 20.70 C ATOM 591 O GLY A 68 -15.099 6.208 3.479 1.00 21.11 O ATOM 592 H GLY A 68 -14.975 7.740 1.576 1.00 0.00 H ATOM 593 N GLN A 69 -13.171 5.113 3.917 1.00 17.89 N ATOM 594 CA GLN A 69 -13.672 4.334 5.041 1.00 21.38 C ATOM 595 C GLN A 69 -12.602 4.341 6.119 1.00 27.53 C ATOM 596 O GLN A 69 -11.455 3.975 5.846 1.00 24.28 O ATOM 597 CB GLN A 69 -14.005 2.897 4.619 1.00 27.42 C ATOM 598 CG GLN A 69 -14.901 2.161 5.587 1.00 28.71 C ATOM 599 CD GLN A 69 -15.507 0.912 4.970 1.00 33.84 C ATOM 600 OE1 GLN A 69 -15.286 0.617 3.797 1.00 32.59 O ATOM 601 NE2 GLN A 69 -16.258 0.163 5.767 1.00 36.13 N ATOM 602 HE22 GLN A 69 -16.418 0.452 6.753 1.00 0.00 H ATOM 603 HE21 GLN A 69 -16.687 -0.713 5.406 1.00 0.00 H ATOM 604 H GLN A 69 -12.202 4.934 3.583 1.00 0.00 H ATOM 605 N ILE A 70 -12.964 4.796 7.324 1.00 18.81 N ATOM 606 CA ILE A 70 -12.062 4.828 8.475 1.00 19.34 C ATOM 607 C ILE A 70 -12.690 4.076 9.636 1.00 26.72 C ATOM 608 O ILE A 70 -13.828 4.364 10.028 1.00 20.98 O ATOM 609 CB ILE A 70 -11.735 6.267 8.914 1.00 18.88 C ATOM 610 CG1 ILE A 70 -11.279 7.097 7.712 1.00 26.32 C ATOM 611 CG2 ILE A 70 -10.689 6.242 10.009 1.00 26.03 C ATOM 612 CD1 ILE A 70 -11.301 8.589 7.972 1.00 31.01 C ATOM 613 H ILE A 70 -13.936 5.145 7.449 1.00 0.00 H ATOM 614 N VAL A 71 -11.930 3.155 10.220 1.00 22.64 N ATOM 615 CA VAL A 71 -12.344 2.446 11.425 1.00 22.69 C ATOM 616 C VAL A 71 -11.596 3.038 12.609 1.00 20.88 C ATOM 617 O VAL A 71 -10.368 3.188 12.567 1.00 27.16 O ATOM 618 CB VAL A 71 -12.089 0.935 11.304 1.00 24.44 C ATOM 619 CG1 VAL A 71 -12.509 0.234 12.605 1.00 30.85 C ATOM 620 CG2 VAL A 71 -12.828 0.369 10.110 1.00 20.63 C ATOM 621 H VAL A 71 -11.005 2.932 9.801 1.00 0.00 H ATOM 622 N PHE A 72 -12.339 3.441 13.633 1.00 20.64 N ATOM 623 CA PHE A 72 -11.769 3.978 14.859 1.00 20.51 C ATOM 624 C PHE A 72 -11.912 2.972 15.983 1.00 25.21 C ATOM 625 O PHE A 72 -12.996 2.414 16.183 1.00 23.38 O ATOM 626 CB PHE A 72 -12.458 5.269 15.271 1.00 23.92 C ATOM 627 CG PHE A 72 -12.236 6.389 14.315 1.00 19.49 C ATOM 628 CD1 PHE A 72 -11.006 7.002 14.240 1.00 24.27 C ATOM 629 CD2 PHE A 72 -13.252 6.836 13.507 1.00 27.44 C ATOM 630 CE1 PHE A 72 -10.787 8.043 13.357 1.00 27.32 C ATOM 631 CE2 PHE A 72 -13.039 7.879 12.625 1.00 31.39 C ATOM 632 CZ PHE A 72 -11.801 8.475 12.553 1.00 18.90 C ATOM 633 H PHE A 72 -13.374 3.370 13.555 1.00 0.00 H ATOM 634 N GLU A 73 -10.830 2.782 16.730 1.00 18.39 N ATOM 635 CA GLU A 73 -10.835 2.034 17.983 1.00 26.21 C ATOM 636 C GLU A 73 -10.445 2.962 19.116 1.00 23.39 C ATOM 637 O GLU A 73 -9.443 3.682 19.021 1.00 28.76 O ATOM 638 CB GLU A 73 -9.868 0.849 17.952 1.00 26.66 C ATOM 639 CG GLU A 73 -9.870 0.075 19.251 1.00 30.64 C ATOM 640 CD GLU A 73 -8.622 -0.751 19.464 1.00 31.92 C ATOM 641 OE1 GLU A 73 -8.078 -1.289 18.483 1.00 36.44 O ATOM 642 OE2 GLU A 73 -8.211 -0.891 20.634 1.00 41.66 O ATOM 643 H GLU A 73 -9.930 3.189 16.404 1.00 0.00 H ATOM 644 N PHE A 74 -11.241 2.957 20.177 1.00 24.43 N ATOM 645 CA PHE A 74 -10.850 3.546 21.445 1.00 22.76 C ATOM 646 C PHE A 74 -10.557 2.421 22.429 1.00 31.46 C ATOM 647 O PHE A 74 -11.391 1.532 22.618 1.00 31.32 O ATOM 648 CB PHE A 74 -11.937 4.479 21.980 1.00 24.77 C ATOM 649 CG PHE A 74 -12.136 5.695 21.134 1.00 24.29 C ATOM 650 CD1 PHE A 74 -12.817 5.610 19.929 1.00 29.87 C ATOM 651 CD2 PHE A 74 -11.601 6.920 21.526 1.00 27.66 C ATOM 652 CE1 PHE A 74 -12.981 6.734 19.127 1.00 36.19 C ATOM 653 CE2 PHE A 74 -11.762 8.038 20.740 1.00 31.98 C ATOM 654 CZ PHE A 74 -12.453 7.948 19.539 1.00 36.92 C ATOM 655 H PHE A 74 -12.179 2.515 20.098 1.00 0.00 H ATOM 656 N VAL A 75 -9.360 2.452 23.029 1.00 26.52 N ATOM 657 CA VAL A 75 -8.967 1.415 23.979 1.00 25.82 C ATOM 658 C VAL A 75 -9.927 1.408 25.156 1.00 19.58 C ATOM 659 O VAL A 75 -10.292 2.464 25.693 1.00 24.07 O ATOM 660 CB VAL A 75 -7.516 1.627 24.438 1.00 27.43 C ATOM 661 CG1 VAL A 75 -7.154 0.619 25.536 1.00 29.88 C ATOM 662 CG2 VAL A 75 -6.573 1.498 23.251 1.00 29.84 C ATOM 663 H VAL A 75 -8.700 3.227 22.815 1.00 0.00 H ATOM 664 N GLY A 76 -10.367 0.217 25.545 1.00 22.65 N ATOM 665 CA GLY A 76 -11.362 0.066 26.579 1.00 33.38 C ATOM 666 C GLY A 76 -12.799 0.101 26.097 1.00 36.51 C ATOM 667 O GLY A 76 -13.702 -0.276 26.853 1.00 41.62 O ATOM 668 H GLY A 76 -9.982 -0.635 25.089 1.00 0.00 H ATOM 669 N GLU A 77 -13.041 0.544 24.869 1.00 27.45 N ATOM 670 CA GLU A 77 -14.393 0.637 24.337 1.00 28.54 C ATOM 671 C GLU A 77 -14.645 -0.533 23.406 1.00 20.26 C ATOM 672 O GLU A 77 -13.896 -0.709 22.426 1.00 24.36 O ATOM 673 CB GLU A 77 -14.594 1.955 23.593 1.00 35.72 C ATOM 674 CG GLU A 77 -14.864 3.137 24.501 1.00 35.18 C ATOM 675 H GLU A 77 -12.242 0.833 24.270 1.00 0.00 H ATOM 676 N PRO A 78 -15.660 -1.363 23.654 1.00 21.12 N ATOM 677 CA PRO A 78 -15.842 -2.542 22.795 1.00 23.52 C ATOM 678 C PRO A 78 -16.282 -2.223 21.371 1.00 26.38 C ATOM 679 O PRO A 78 -15.922 -2.962 20.448 1.00 23.10 O ATOM 680 CB PRO A 78 -16.897 -3.375 23.547 1.00 24.23 C ATOM 681 CG PRO A 78 -17.600 -2.410 24.426 1.00 31.84 C ATOM 682 CD PRO A 78 -16.570 -1.369 24.815 1.00 28.35 C ATOM 683 N GLU A 79 -17.052 -1.162 21.147 1.00 23.45 N ATOM 684 CA GLU A 79 -17.584 -0.910 19.817 1.00 28.71 C ATOM 685 C GLU A 79 -16.549 -0.176 18.973 1.00 23.13 C ATOM 686 O GLU A 79 -16.025 0.862 19.397 1.00 23.31 O ATOM 687 CB GLU A 79 -18.877 -0.099 19.909 1.00 37.97 C ATOM 688 CG GLU A 79 -19.842 -0.337 18.780 1.00 41.75 C ATOM 689 CD GLU A 79 -21.210 0.246 19.060 1.00 37.61 C ATOM 690 OE1 GLU A 79 -21.322 1.483 19.149 1.00 46.08 O ATOM 691 OE2 GLU A 79 -22.175 -0.539 19.197 1.00 52.41 O ATOM 692 H GLU A 79 -17.275 -0.510 21.926 1.00 0.00 H ATOM 693 N LEU A 80 -16.217 -0.742 17.808 1.00 22.41 N ATOM 694 CA LEU A 80 -15.482 -0.003 16.775 1.00 24.73 C ATOM 695 C LEU A 80 -16.425 0.911 15.996 1.00 23.18 C ATOM 696 O LEU A 80 -17.594 0.588 15.798 1.00 25.22 O ATOM 697 CB LEU A 80 -14.806 -0.952 15.790 1.00 22.95 C ATOM 698 CG LEU A 80 -13.814 -1.945 16.383 1.00 25.22 C ATOM 699 CD1 LEU A 80 -13.186 -2.778 15.287 1.00 24.41 C ATOM 700 CD2 LEU A 80 -12.759 -1.199 17.209 1.00 23.84 C ATOM 701 H LEU A 80 -16.486 -1.731 17.630 1.00 0.00 H ATOM 702 N MET A 81 -15.910 2.077 15.573 1.00 19.61 N ATOM 703 CA MET A 81 -16.649 2.992 14.706 1.00 24.40 C ATOM 704 C MET A 81 -16.219 2.774 13.256 1.00 26.42 C ATOM 705 O MET A 81 -15.047 2.960 12.917 1.00 26.43 O ATOM 706 CB MET A 81 -16.411 4.456 15.095 1.00 18.62 C ATOM 707 CG MET A 81 -16.903 4.838 16.463 1.00 19.80 C ATOM 708 SD MET A 81 -16.482 6.557 16.786 1.00 33.20 S ATOM 709 CE MET A 81 -17.168 7.328 15.321 1.00 29.66 C ATOM 710 H MET A 81 -14.949 2.338 15.874 1.00 0.00 H ATOM 711 N ASP A 82 -17.168 2.387 12.410 1.00 18.66 N ATOM 712 CA ASP A 82 -16.954 2.168 10.980 1.00 22.47 C ATOM 713 C ASP A 82 -17.478 3.392 10.236 1.00 23.27 C ATOM 714 O ASP A 82 -18.673 3.502 9.965 1.00 21.67 O ATOM 715 CB ASP A 82 -17.679 0.901 10.533 1.00 26.59 C ATOM 716 CG ASP A 82 -17.484 0.595 9.057 1.00 34.62 C ATOM 717 OD1 ASP A 82 -16.512 1.095 8.460 1.00 32.82 O ATOM 718 OD2 ASP A 82 -18.325 -0.140 8.489 1.00 33.07 O ATOM 719 H ASP A 82 -18.124 2.230 12.789 1.00 0.00 H ATOM 720 N VAL A 83 -16.589 4.330 9.920 1.00 21.08 N ATOM 721 CA VAL A 83 -17.005 5.642 9.419 1.00 21.56 C ATOM 722 C VAL A 83 -16.857 5.682 7.901 1.00 21.28 C ATOM 723 O VAL A 83 -15.756 5.516 7.356 1.00 21.38 O ATOM 724 CB VAL A 83 -16.216 6.783 10.083 1.00 18.71 C ATOM 725 CG1 VAL A 83 -16.739 8.124 9.568 1.00 18.42 C ATOM 726 CG2 VAL A 83 -16.303 6.710 11.629 1.00 17.00 C ATOM 727 H VAL A 83 -15.575 4.127 10.031 1.00 0.00 H ATOM 728 N HIS A 84 -17.967 5.917 7.212 1.00 19.30 N ATOM 729 CA HIS A 84 -17.989 6.030 5.764 1.00 25.39 C ATOM 730 C HIS A 84 -17.998 7.503 5.394 1.00 20.22 C ATOM 731 O HIS A 84 -18.940 8.220 5.739 1.00 16.60 O ATOM 732 CB HIS A 84 -19.205 5.306 5.199 1.00 27.08 C ATOM 733 CG HIS A 84 -19.153 3.835 5.443 1.00 24.08 C ATOM 734 ND1 HIS A 84 -19.016 2.917 4.428 1.00 25.85 N ATOM 735 CD2 HIS A 84 -19.147 3.128 6.598 1.00 26.85 C ATOM 736 CE1 HIS A 84 -18.949 1.702 4.947 1.00 20.79 C ATOM 737 NE2 HIS A 84 -19.031 1.803 6.260 1.00 24.76 N ATOM 738 H HIS A 84 -18.861 6.025 7.732 1.00 0.00 H ATOM 739 N VAL A 85 -16.948 7.939 4.704 1.00 19.47 N ATOM 740 CA VAL A 85 -16.697 9.352 4.438 1.00 17.83 C ATOM 741 C VAL A 85 -17.166 9.674 3.031 1.00 18.20 C ATOM 742 O VAL A 85 -16.863 8.940 2.075 1.00 21.67 O ATOM 743 CB VAL A 85 -15.208 9.698 4.616 1.00 17.17 C ATOM 744 CG1 VAL A 85 -14.996 11.206 4.447 1.00 15.78 C ATOM 745 CG2 VAL A 85 -14.691 9.178 5.961 1.00 15.50 C ATOM 746 H VAL A 85 -16.273 7.239 4.336 1.00 0.00 H ATOM 747 N PHE A 86 -17.896 10.778 2.897 1.00 17.39 N ATOM 748 CA PHE A 86 -18.411 11.234 1.621 1.00 19.04 C ATOM 749 C PHE A 86 -18.008 12.681 1.415 1.00 19.75 C ATOM 750 O PHE A 86 -17.790 13.424 2.381 1.00 19.34 O ATOM 751 CB PHE A 86 -19.949 11.156 1.546 1.00 19.41 C ATOM 752 CG PHE A 86 -20.502 9.768 1.636 1.00 19.21 C ATOM 753 CD1 PHE A 86 -20.683 9.166 2.861 1.00 18.61 C ATOM 754 CD2 PHE A 86 -20.840 9.063 0.489 1.00 25.09 C ATOM 755 CE1 PHE A 86 -21.198 7.864 2.953 1.00 23.47 C ATOM 756 CE2 PHE A 86 -21.357 7.775 0.577 1.00 23.27 C ATOM 757 CZ PHE A 86 -21.536 7.181 1.812 1.00 27.09 C ATOM 758 H PHE A 86 -18.107 11.340 3.747 1.00 0.00 H ATOM 759 N CYS A 87 -17.928 13.072 0.145 1.00 21.31 N ATOM 760 CA CYS A 87 -17.689 14.453 -0.257 1.00 19.85 C ATOM 761 C CYS A 87 -18.757 14.902 -1.244 1.00 27.10 C ATOM 762 O CYS A 87 -19.260 14.102 -2.036 1.00 22.76 O ATOM 763 CB CYS A 87 -16.315 14.618 -0.911 1.00 24.34 C ATOM 764 SG CYS A 87 -15.003 15.013 0.240 1.00 30.81 S ATOM 765 H CYS A 87 -18.042 12.355 -0.599 1.00 0.00 H ATOM 766 N THR A 88 -19.072 16.197 -1.213 1.00 18.89 N ATOM 767 CA THR A 88 -20.007 16.784 -2.149 1.00 22.67 C ATOM 768 C THR A 88 -19.573 18.222 -2.403 1.00 23.28 C ATOM 769 O THR A 88 -18.972 18.862 -1.534 1.00 22.66 O ATOM 770 CB THR A 88 -21.449 16.742 -1.618 1.00 26.35 C ATOM 771 OG1 THR A 88 -22.341 17.188 -2.646 1.00 30.85 O ATOM 772 CG2 THR A 88 -21.606 17.646 -0.406 1.00 28.11 C ATOM 773 HG1 THR A 88 -22.258 16.594 -3.434 1.00 0.00 H ATOM 774 H THR A 88 -18.632 16.805 -0.493 1.00 0.00 H ATOM 775 N ASP A 89 -19.858 18.714 -3.615 1.00 24.39 N ATOM 776 CA ASP A 89 -19.658 20.122 -3.947 1.00 25.10 C ATOM 777 C ASP A 89 -20.919 20.818 -4.436 1.00 33.84 C ATOM 778 O ASP A 89 -20.906 22.046 -4.560 1.00 43.86 O ATOM 779 CB ASP A 89 -18.566 20.272 -5.015 1.00 31.90 C ATOM 780 H ASP A 89 -20.234 18.073 -4.343 1.00 0.00 H ATOM 781 N SER A 90 -21.995 20.087 -4.713 1.00 33.43 N ATOM 782 CA SER A 90 -23.255 20.654 -5.191 1.00 38.31 C ATOM 783 C SER A 90 -24.269 20.593 -4.052 1.00 32.21 C ATOM 784 O SER A 90 -24.864 19.545 -3.787 1.00 42.28 O ATOM 785 CB SER A 90 -23.754 19.907 -6.426 1.00 46.97 C ATOM 786 H SER A 90 -21.937 19.057 -4.583 1.00 0.00 H ATOM 787 N ILE A 91 -24.466 21.721 -3.380 1.00 32.51 N ATOM 788 CA ILE A 91 -25.383 21.800 -2.254 1.00 30.18 C ATOM 789 C ILE A 91 -26.455 22.831 -2.564 1.00 27.55 C ATOM 790 O ILE A 91 -26.298 23.692 -3.432 1.00 33.72 O ATOM 791 CB ILE A 91 -24.666 22.154 -0.934 1.00 29.48 C ATOM 792 CG1 ILE A 91 -24.291 23.638 -0.919 1.00 35.48 C ATOM 793 CG2 ILE A 91 -23.419 21.326 -0.775 1.00 37.93 C ATOM 794 CD1 ILE A 91 -23.273 24.010 0.141 1.00 37.56 C ATOM 795 H ILE A 91 -23.948 22.576 -3.668 1.00 0.00 H ATOM 796 N GLN A 92 -27.556 22.731 -1.833 1.00 27.17 N ATOM 797 CA GLN A 92 -28.615 23.726 -1.865 1.00 34.41 C ATOM 798 C GLN A 92 -28.906 24.143 -0.436 1.00 33.89 C ATOM 799 O GLN A 92 -29.002 23.295 0.455 1.00 31.19 O ATOM 800 CB GLN A 92 -29.890 23.177 -2.545 1.00 37.67 C ATOM 801 CG GLN A 92 -31.077 24.134 -2.559 1.00 40.97 C ATOM 802 CD GLN A 92 -30.890 25.314 -3.502 1.00 47.53 C ATOM 803 OE1 GLN A 92 -31.073 25.192 -4.718 1.00 50.88 O ATOM 804 NE2 GLN A 92 -30.536 26.466 -2.944 1.00 54.01 N ATOM 805 HE22 GLN A 92 -30.393 26.523 -1.916 1.00 0.00 H ATOM 806 HE21 GLN A 92 -30.402 27.311 -3.536 1.00 0.00 H ATOM 807 H GLN A 92 -27.667 21.906 -1.210 1.00 0.00 H ATOM 808 N GLY A 93 -29.020 25.444 -0.209 1.00 34.18 N ATOM 809 CA GLY A 93 -29.323 25.947 1.114 1.00 32.75 C ATOM 810 C GLY A 93 -28.152 26.705 1.721 1.00 36.75 C ATOM 811 O GLY A 93 -27.105 26.906 1.106 1.00 35.80 O ATOM 812 H GLY A 93 -28.890 26.114 -0.994 1.00 0.00 H ATOM 813 N THR A 94 -28.368 27.132 2.959 1.00 29.75 N ATOM 814 CA THR A 94 -27.397 27.924 3.703 1.00 33.80 C ATOM 815 C THR A 94 -27.239 27.352 5.099 1.00 30.01 C ATOM 816 O THR A 94 -28.247 27.156 5.811 1.00 33.99 O ATOM 817 CB THR A 94 -27.848 29.388 3.779 1.00 37.65 C ATOM 818 OG1 THR A 94 -27.834 29.960 2.462 1.00 50.80 O ATOM 819 CG2 THR A 94 -26.924 30.186 4.689 1.00 32.75 C ATOM 820 HG1 THR A 94 -28.125 30.905 2.511 1.00 0.00 H ATOM 821 H THR A 94 -29.269 26.891 3.418 1.00 0.00 H ATOM 822 N PRO A 95 -26.010 27.095 5.560 1.00 28.32 N ATOM 823 CA PRO A 95 -25.828 26.456 6.865 1.00 27.68 C ATOM 824 C PRO A 95 -26.298 27.358 7.992 1.00 39.66 C ATOM 825 O PRO A 95 -26.166 28.583 7.938 1.00 28.94 O ATOM 826 CB PRO A 95 -24.312 26.221 6.955 1.00 30.48 C ATOM 827 CG PRO A 95 -23.761 26.511 5.606 1.00 30.56 C ATOM 828 CD PRO A 95 -24.722 27.461 4.944 1.00 30.45 C ATOM 829 N VAL A 96 -26.812 26.728 9.042 1.00 34.71 N ATOM 830 CA VAL A 96 -27.538 27.417 10.096 1.00 38.23 C ATOM 831 C VAL A 96 -26.951 27.034 11.445 1.00 32.09 C ATOM 832 O VAL A 96 -26.867 25.846 11.772 1.00 34.17 O ATOM 833 CB VAL A 96 -29.036 27.062 10.042 1.00 41.24 C ATOM 834 CG1 VAL A 96 -29.216 25.552 9.885 1.00 47.40 C ATOM 835 CG2 VAL A 96 -29.730 27.547 11.285 1.00 45.63 C ATOM 836 H VAL A 96 -26.690 25.698 9.113 1.00 0.00 H ATOM 837 N GLU A 97 -26.557 28.033 12.236 1.00 28.77 N ATOM 838 CA GLU A 97 -26.181 27.734 13.607 1.00 32.60 C ATOM 839 C GLU A 97 -27.397 27.211 14.356 1.00 34.25 C ATOM 840 O GLU A 97 -28.487 27.793 14.301 1.00 31.63 O ATOM 841 CB GLU A 97 -25.606 28.954 14.325 1.00 30.66 C ATOM 842 CG GLU A 97 -25.309 28.669 15.805 1.00 30.37 C ATOM 843 CD GLU A 97 -24.419 29.710 16.468 1.00 34.16 C ATOM 844 OE1 GLU A 97 -24.360 30.841 15.955 1.00 46.28 O ATOM 845 OE2 GLU A 97 -23.787 29.397 17.508 1.00 39.21 O ATOM 846 H GLU A 97 -26.520 29.009 11.878 1.00 0.00 H ATOM 847 N SER A 98 -27.208 26.089 15.015 1.00 24.83 N ATOM 848 CA SER A 98 -28.208 25.447 15.853 1.00 37.85 C ATOM 849 C SER A 98 -27.630 25.262 17.249 1.00 40.37 C ATOM 850 O SER A 98 -26.443 25.495 17.481 1.00 36.71 O ATOM 851 CB SER A 98 -28.619 24.096 15.268 1.00 35.39 C ATOM 852 OG SER A 98 -27.634 23.119 15.553 1.00 31.92 O ATOM 853 HG SER A 98 -27.912 22.250 15.169 1.00 0.00 H ATOM 854 H SER A 98 -26.279 25.629 14.931 1.00 0.00 H ATOM 855 N ASP A 99 -28.475 24.814 18.192 1.00 29.68 N ATOM 856 CA ASP A 99 -27.909 24.587 19.523 1.00 35.65 C ATOM 857 C ASP A 99 -27.015 23.350 19.583 1.00 32.94 C ATOM 858 O ASP A 99 -26.579 22.971 20.679 1.00 38.23 O ATOM 859 CB ASP A 99 -29.021 24.475 20.573 1.00 35.55 C ATOM 860 H ASP A 99 -29.479 24.638 17.987 1.00 0.00 H ATOM 861 N GLU A 100 -26.722 22.693 18.464 1.00 31.44 N ATOM 862 CA GLU A 100 -25.821 21.547 18.459 1.00 31.77 C ATOM 863 C GLU A 100 -24.542 21.764 17.657 1.00 34.81 C ATOM 864 O GLU A 100 -23.531 21.115 17.953 1.00 30.80 O ATOM 865 CB GLU A 100 -26.545 20.308 17.915 1.00 34.93 C ATOM 866 H GLU A 100 -27.147 23.006 17.568 1.00 0.00 H ATOM 867 N MET A 101 -24.546 22.648 16.654 1.00 30.72 N ATOM 868 CA MET A 101 -23.366 22.872 15.823 1.00 29.33 C ATOM 869 C MET A 101 -23.345 24.316 15.327 1.00 27.00 C ATOM 870 O MET A 101 -24.396 24.896 15.032 1.00 26.81 O ATOM 871 CB MET A 101 -23.326 21.879 14.637 1.00 32.76 C ATOM 872 CG MET A 101 -22.302 20.717 14.780 1.00 22.59 C ATOM 873 SD MET A 101 -22.723 19.144 13.946 1.00 44.01 S ATOM 874 CE MET A 101 -21.346 18.081 14.403 1.00 26.63 C ATOM 875 H MET A 101 -25.412 23.190 16.460 1.00 0.00 H ATOM 876 N ARG A 102 -22.145 24.889 15.240 1.00 22.09 N ATOM 877 CA ARG A 102 -21.937 26.240 14.731 1.00 23.52 C ATOM 878 C ARG A 102 -21.136 26.132 13.440 1.00 24.14 C ATOM 879 O ARG A 102 -19.959 25.730 13.481 1.00 19.70 O ATOM 880 CB ARG A 102 -21.205 27.109 15.761 1.00 28.07 C ATOM 881 CG ARG A 102 -20.851 28.498 15.235 1.00 22.26 C ATOM 882 CD ARG A 102 -20.291 29.410 16.311 1.00 25.44 C ATOM 883 NE ARG A 102 -19.164 28.840 17.046 1.00 26.49 N ATOM 884 CZ ARG A 102 -17.886 29.096 16.770 1.00 20.95 C ATOM 885 NH1 ARG A 102 -17.565 29.907 15.771 1.00 25.88 N ATOM 886 NH2 ARG A 102 -16.929 28.544 17.509 1.00 28.35 N ATOM 887 HE ARG A 102 -19.373 28.194 17.834 1.00 0.00 H ATOM 888 HH12 ARG A 102 -16.565 30.103 15.561 1.00 0.00 H ATOM 889 HH11 ARG A 102 -18.313 30.347 15.198 1.00 0.00 H ATOM 890 HH22 ARG A 102 -15.930 28.741 17.297 1.00 0.00 H ATOM 891 HH21 ARG A 102 -17.179 27.915 18.299 1.00 0.00 H ATOM 892 H ARG A 102 -21.315 24.345 15.551 1.00 0.00 H ATOM 893 N PRO A 103 -21.708 26.465 12.284 1.00 25.12 N ATOM 894 CA PRO A 103 -21.033 26.208 11.002 1.00 22.45 C ATOM 895 C PRO A 103 -20.197 27.374 10.504 1.00 25.52 C ATOM 896 O PRO A 103 -20.537 28.546 10.675 1.00 22.41 O ATOM 897 CB PRO A 103 -22.213 25.941 10.062 1.00 29.39 C ATOM 898 CG PRO A 103 -23.290 26.869 10.593 1.00 33.82 C ATOM 899 CD PRO A 103 -23.094 26.929 12.099 1.00 33.62 C ATOM 900 N CYS A 104 -19.098 27.025 9.836 1.00 20.88 N ATOM 901 CA CYS A 104 -18.200 28.034 9.297 1.00 21.03 C ATOM 902 C CYS A 104 -17.487 27.491 8.067 1.00 19.62 C ATOM 903 O CYS A 104 -17.055 26.337 8.053 1.00 19.43 O ATOM 904 CB CYS A 104 -17.177 28.464 10.346 1.00 23.11 C ATOM 905 SG CYS A 104 -16.281 29.925 9.882 1.00 26.47 S ATOM 906 H CYS A 104 -18.880 26.018 9.698 1.00 0.00 H ATOM 907 N TRP A 105 -17.355 28.335 7.047 1.00 20.09 N ATOM 908 CA TRP A 105 -16.576 27.978 5.872 1.00 20.52 C ATOM 909 C TRP A 105 -15.101 28.242 6.155 1.00 27.60 C ATOM 910 O TRP A 105 -14.748 29.241 6.796 1.00 24.08 O ATOM 911 CB TRP A 105 -17.041 28.781 4.656 1.00 20.50 C ATOM 912 CG TRP A 105 -18.370 28.349 4.078 1.00 24.63 C ATOM 913 CD1 TRP A 105 -19.568 28.986 4.215 1.00 23.83 C ATOM 914 CD2 TRP A 105 -18.619 27.202 3.265 1.00 18.23 C ATOM 915 NE1 TRP A 105 -20.550 28.305 3.538 1.00 22.73 N ATOM 916 CE2 TRP A 105 -19.994 27.195 2.960 1.00 21.58 C ATOM 917 CE3 TRP A 105 -17.814 26.168 2.775 1.00 16.34 C ATOM 918 CZ2 TRP A 105 -20.574 26.219 2.174 1.00 23.61 C ATOM 919 CZ3 TRP A 105 -18.389 25.208 1.999 1.00 20.86 C ATOM 920 CH2 TRP A 105 -19.756 25.231 1.704 1.00 24.94 C ATOM 921 HE1 TRP A 105 -21.549 28.586 3.475 1.00 0.00 H ATOM 922 H TRP A 105 -17.817 29.266 7.091 1.00 0.00 H ATOM 923 N PHE A 106 -14.231 27.357 5.670 1.00 21.57 N ATOM 924 CA PHE A 106 -12.791 27.529 5.844 1.00 22.76 C ATOM 925 C PHE A 106 -12.080 27.487 4.498 1.00 24.53 C ATOM 926 O PHE A 106 -12.286 26.559 3.716 1.00 18.60 O ATOM 927 CB PHE A 106 -12.194 26.434 6.759 1.00 19.16 C ATOM 928 CG PHE A 106 -12.602 26.532 8.199 1.00 21.38 C ATOM 929 CD1 PHE A 106 -13.770 25.921 8.648 1.00 20.92 C ATOM 930 CD2 PHE A 106 -11.811 27.216 9.122 1.00 22.58 C ATOM 931 CE1 PHE A 106 -14.135 25.998 9.988 1.00 22.78 C ATOM 932 CE2 PHE A 106 -12.180 27.303 10.449 1.00 26.02 C ATOM 933 CZ PHE A 106 -13.344 26.693 10.885 1.00 24.40 C ATOM 934 H PHE A 106 -14.585 26.525 5.156 1.00 0.00 H ATOM 935 N GLN A 107 -11.235 28.485 4.230 1.00 23.94 N ATOM 936 CA GLN A 107 -10.328 28.397 3.094 1.00 24.32 C ATOM 937 C GLN A 107 -9.449 27.154 3.222 1.00 22.82 C ATOM 938 O GLN A 107 -9.097 26.728 4.326 1.00 27.69 O ATOM 939 CB GLN A 107 -9.459 29.652 3.007 1.00 28.97 C ATOM 940 CG GLN A 107 -10.249 30.933 2.839 1.00 25.37 C ATOM 941 CD GLN A 107 -11.225 30.860 1.683 1.00 31.94 C ATOM 942 OE1 GLN A 107 -10.836 30.610 0.542 1.00 37.36 O ATOM 943 NE2 GLN A 107 -12.502 31.080 1.971 1.00 27.24 N ATOM 944 HE22 GLN A 107 -12.786 31.288 2.950 1.00 0.00 H ATOM 945 HE21 GLN A 107 -13.218 31.045 1.218 1.00 0.00 H ATOM 946 H GLN A 107 -11.224 29.330 4.836 1.00 0.00 H ATOM 947 N LEU A 108 -9.082 26.577 2.073 1.00 26.33 N ATOM 948 CA LEU A 108 -8.380 25.293 2.093 1.00 30.86 C ATOM 949 C LEU A 108 -7.024 25.380 2.786 1.00 33.13 C ATOM 950 O LEU A 108 -6.568 24.390 3.364 1.00 38.18 O ATOM 951 CB LEU A 108 -8.223 24.757 0.671 1.00 33.38 C ATOM 952 CG LEU A 108 -9.497 24.343 -0.075 1.00 36.15 C ATOM 953 CD1 LEU A 108 -9.170 23.263 -1.068 1.00 29.38 C ATOM 954 CD2 LEU A 108 -10.589 23.870 0.876 1.00 27.79 C ATOM 955 H LEU A 108 -9.295 27.040 1.166 1.00 0.00 H ATOM 956 N ASP A 109 -6.368 26.539 2.755 1.00 31.79 N ATOM 957 CA ASP A 109 -5.082 26.695 3.431 1.00 32.41 C ATOM 958 C ASP A 109 -5.214 27.064 4.908 1.00 41.04 C ATOM 959 O ASP A 109 -4.193 27.285 5.572 1.00 35.58 O ATOM 960 CB ASP A 109 -4.225 27.749 2.704 1.00 37.45 C ATOM 961 CG ASP A 109 -4.884 29.118 2.656 1.00 41.82 C ATOM 962 OD1 ASP A 109 -6.116 29.208 2.830 1.00 51.08 O ATOM 963 OD2 ASP A 109 -4.168 30.118 2.436 1.00 57.61 O ATOM 964 H ASP A 109 -6.778 27.345 2.242 1.00 0.00 H ATOM 965 N GLN A 110 -6.438 27.125 5.439 1.00 28.20 N ATOM 966 CA GLN A 110 -6.681 27.537 6.816 1.00 24.04 C ATOM 967 C GLN A 110 -7.534 26.506 7.550 1.00 25.85 C ATOM 968 O GLN A 110 -8.302 26.853 8.450 1.00 25.53 O ATOM 969 CB GLN A 110 -7.338 28.917 6.867 1.00 23.80 C ATOM 970 CG GLN A 110 -6.404 30.053 6.446 1.00 39.07 C ATOM 971 CD GLN A 110 -6.994 31.433 6.694 1.00 47.25 C ATOM 972 OE1 GLN A 110 -8.201 31.652 6.544 1.00 50.09 O ATOM 973 NE2 GLN A 110 -6.141 32.374 7.066 1.00 58.16 N ATOM 974 HE22 GLN A 110 -5.133 32.146 7.180 1.00 0.00 H ATOM 975 HE21 GLN A 110 -6.479 33.341 7.244 1.00 0.00 H ATOM 976 H GLN A 110 -7.252 26.868 4.845 1.00 0.00 H ATOM 977 N ILE A 111 -7.417 25.237 7.168 1.00 22.54 N ATOM 978 CA ILE A 111 -8.111 24.176 7.913 1.00 21.13 C ATOM 979 C ILE A 111 -7.654 24.206 9.370 1.00 22.18 C ATOM 980 O ILE A 111 -6.436 24.155 9.631 1.00 25.26 O ATOM 981 CB ILE A 111 -7.819 22.804 7.280 1.00 26.04 C ATOM 982 CG1 ILE A 111 -8.026 22.852 5.769 1.00 43.05 C ATOM 983 CG2 ILE A 111 -8.689 21.724 7.909 1.00 22.26 C ATOM 984 CD1 ILE A 111 -9.408 23.209 5.382 1.00 27.50 C ATOM 985 H ILE A 111 -6.834 24.995 6.341 1.00 0.00 H ATOM 986 N PRO A 112 -8.574 24.279 10.366 1.00 20.89 N ATOM 987 CA PRO A 112 -8.187 24.398 11.788 1.00 23.43 C ATOM 988 C PRO A 112 -7.808 23.061 12.416 1.00 22.62 C ATOM 989 O PRO A 112 -8.473 22.570 13.332 1.00 21.97 O ATOM 990 CB PRO A 112 -9.453 24.986 12.418 1.00 29.09 C ATOM 991 CG PRO A 112 -10.559 24.372 11.630 1.00 18.49 C ATOM 992 CD PRO A 112 -10.039 24.239 10.200 1.00 25.85 C ATOM 993 N PHE A 113 -6.706 22.474 11.929 1.00 24.06 N ATOM 994 CA PHE A 113 -6.320 21.131 12.357 1.00 28.95 C ATOM 995 C PHE A 113 -6.089 21.052 13.861 1.00 30.13 C ATOM 996 O PHE A 113 -6.347 20.010 14.478 1.00 26.57 O ATOM 997 CB PHE A 113 -5.063 20.687 11.602 1.00 25.39 C ATOM 998 CG PHE A 113 -5.317 20.303 10.181 1.00 26.98 C ATOM 999 CD1 PHE A 113 -6.069 19.176 9.881 1.00 26.78 C ATOM 1000 CD2 PHE A 113 -4.800 21.065 9.137 1.00 27.12 C ATOM 1001 CE1 PHE A 113 -6.308 18.822 8.585 1.00 25.31 C ATOM 1002 CE2 PHE A 113 -5.032 20.712 7.812 1.00 35.75 C ATOM 1003 CZ PHE A 113 -5.789 19.586 7.532 1.00 30.96 C ATOM 1004 H PHE A 113 -6.118 22.981 11.237 1.00 0.00 H ATOM 1005 N LYS A 114 -5.622 22.138 14.481 1.00 26.29 N ATOM 1006 CA LYS A 114 -5.390 22.084 15.918 1.00 24.63 C ATOM 1007 C LYS A 114 -6.685 21.976 16.719 1.00 24.24 C ATOM 1008 O LYS A 114 -6.658 21.484 17.849 1.00 28.84 O ATOM 1009 CB LYS A 114 -4.589 23.308 16.369 1.00 36.94 C ATOM 1010 H LYS A 114 -5.427 23.009 13.947 1.00 0.00 H ATOM 1011 N ASP A 115 -7.817 22.404 16.158 1.00 29.83 N ATOM 1012 CA ASP A 115 -9.123 22.264 16.789 1.00 24.83 C ATOM 1013 C ASP A 115 -9.984 21.182 16.122 1.00 21.07 C ATOM 1014 O ASP A 115 -11.209 21.311 16.073 1.00 19.57 O ATOM 1015 CB ASP A 115 -9.862 23.597 16.756 1.00 26.68 C ATOM 1016 CG ASP A 115 -9.399 24.551 17.836 1.00 35.27 C ATOM 1017 OD1 ASP A 115 -9.364 24.142 19.017 1.00 32.43 O ATOM 1018 OD2 ASP A 115 -9.098 25.720 17.496 1.00 36.24 O ATOM 1019 H ASP A 115 -7.765 22.860 15.225 1.00 0.00 H ATOM 1020 N MET A 116 -9.358 20.135 15.582 1.00 20.37 N ATOM 1021 CA MET A 116 -10.042 19.042 14.901 1.00 19.01 C ATOM 1022 C MET A 116 -9.577 17.723 15.507 1.00 22.31 C ATOM 1023 O MET A 116 -8.593 17.674 16.249 1.00 24.14 O ATOM 1024 CB MET A 116 -9.777 19.059 13.379 1.00 19.02 C ATOM 1025 CG MET A 116 -10.507 20.180 12.660 1.00 24.74 C ATOM 1026 SD MET A 116 -9.881 20.499 11.006 1.00 23.54 S ATOM 1027 CE MET A 116 -10.561 19.082 10.133 1.00 22.10 C ATOM 1028 H MET A 116 -8.321 20.096 15.651 1.00 0.00 H ATOM 1029 N TRP A 117 -10.294 16.644 15.196 1.00 19.70 N ATOM 1030 CA TRP A 117 -9.826 15.329 15.609 1.00 24.58 C ATOM 1031 C TRP A 117 -8.427 15.080 15.059 1.00 21.17 C ATOM 1032 O TRP A 117 -8.146 15.410 13.903 1.00 24.05 O ATOM 1033 CB TRP A 117 -10.791 14.242 15.136 1.00 27.62 C ATOM 1034 CG TRP A 117 -11.946 14.052 16.079 1.00 21.47 C ATOM 1035 CD1 TRP A 117 -13.147 14.710 16.061 1.00 28.75 C ATOM 1036 CD2 TRP A 117 -11.998 13.156 17.203 1.00 24.83 C ATOM 1037 NE1 TRP A 117 -13.948 14.266 17.095 1.00 30.51 N ATOM 1038 CE2 TRP A 117 -13.265 13.315 17.808 1.00 32.80 C ATOM 1039 CE3 TRP A 117 -11.103 12.229 17.743 1.00 29.10 C ATOM 1040 CZ2 TRP A 117 -13.654 12.584 18.932 1.00 29.97 C ATOM 1041 CZ3 TRP A 117 -11.493 11.501 18.867 1.00 28.78 C ATOM 1042 CH2 TRP A 117 -12.756 11.685 19.442 1.00 33.73 C ATOM 1043 HE1 TRP A 117 -14.912 14.599 17.299 1.00 0.00 H ATOM 1044 H TRP A 117 -11.181 16.741 14.662 1.00 0.00 H ATOM 1045 N PRO A 118 -7.507 14.517 15.854 1.00 25.55 N ATOM 1046 CA PRO A 118 -6.114 14.420 15.392 1.00 25.39 C ATOM 1047 C PRO A 118 -5.938 13.543 14.166 1.00 23.44 C ATOM 1048 O PRO A 118 -4.981 13.748 13.405 1.00 24.68 O ATOM 1049 CB PRO A 118 -5.363 13.863 16.612 1.00 25.92 C ATOM 1050 CG PRO A 118 -6.386 13.372 17.527 1.00 30.32 C ATOM 1051 CD PRO A 118 -7.656 14.108 17.259 1.00 28.44 C ATOM 1052 N ASP A 119 -6.843 12.592 13.924 1.00 22.01 N ATOM 1053 CA ASP A 119 -6.742 11.803 12.703 1.00 22.43 C ATOM 1054 C ASP A 119 -6.960 12.629 11.432 1.00 21.81 C ATOM 1055 O ASP A 119 -6.531 12.191 10.363 1.00 18.64 O ATOM 1056 CB ASP A 119 -7.737 10.635 12.721 1.00 22.54 C ATOM 1057 CG ASP A 119 -9.159 11.082 12.956 1.00 21.64 C ATOM 1058 OD1 ASP A 119 -9.535 11.289 14.135 1.00 23.79 O ATOM 1059 OD2 ASP A 119 -9.894 11.224 11.956 1.00 29.15 O ATOM 1060 H ASP A 119 -7.613 12.416 14.601 1.00 0.00 H ATOM 1061 N ASP A 120 -7.621 13.798 11.517 1.00 22.11 N ATOM 1062 CA ASP A 120 -7.855 14.618 10.324 1.00 23.46 C ATOM 1063 C ASP A 120 -6.545 15.060 9.690 1.00 20.80 C ATOM 1064 O ASP A 120 -6.470 15.222 8.469 1.00 23.25 O ATOM 1065 CB ASP A 120 -8.699 15.863 10.645 1.00 18.79 C ATOM 1066 CG ASP A 120 -10.184 15.543 10.854 1.00 26.54 C ATOM 1067 OD1 ASP A 120 -10.729 14.751 10.081 1.00 34.57 O ATOM 1068 OD2 ASP A 120 -10.817 16.097 11.782 1.00 30.77 O ATOM 1069 H ASP A 120 -7.970 14.124 12.441 1.00 0.00 H ATOM 1070 N SER A 121 -5.502 15.256 10.498 1.00 23.05 N ATOM 1071 CA SER A 121 -4.223 15.683 9.934 1.00 28.37 C ATOM 1072 C SER A 121 -3.637 14.647 8.977 1.00 25.16 C ATOM 1073 O SER A 121 -2.838 15.004 8.100 1.00 24.69 O ATOM 1074 CB SER A 121 -3.240 16.001 11.067 1.00 30.27 C ATOM 1075 OG SER A 121 -3.720 17.084 11.868 1.00 30.13 O ATOM 1076 HG SER A 121 -4.594 16.839 12.263 1.00 0.00 H ATOM 1077 H SER A 121 -5.598 15.106 11.523 1.00 0.00 H ATOM 1078 N TYR A 122 -4.044 13.382 9.097 1.00 24.39 N ATOM 1079 CA TYR A 122 -3.533 12.304 8.254 1.00 19.09 C ATOM 1080 C TYR A 122 -4.326 12.142 6.962 1.00 23.78 C ATOM 1081 O TYR A 122 -3.736 11.998 5.887 1.00 25.53 O ATOM 1082 CB TYR A 122 -3.533 10.981 9.043 1.00 20.60 C ATOM 1083 CG TYR A 122 -2.569 10.999 10.209 1.00 25.26 C ATOM 1084 CD1 TYR A 122 -1.237 10.645 10.041 1.00 37.37 C ATOM 1085 CD2 TYR A 122 -2.981 11.396 11.469 1.00 27.43 C ATOM 1086 CE1 TYR A 122 -0.351 10.668 11.113 1.00 36.95 C ATOM 1087 CE2 TYR A 122 -2.101 11.430 12.539 1.00 27.14 C ATOM 1088 CZ TYR A 122 -0.794 11.066 12.360 1.00 38.92 C ATOM 1089 OH TYR A 122 0.070 11.106 13.441 1.00 40.59 O ATOM 1090 HH TYR A 122 0.972 10.816 13.152 1.00 0.00 H ATOM 1091 H TYR A 122 -4.755 13.154 9.821 1.00 0.00 H ATOM 1092 N TRP A 123 -5.661 12.144 7.028 1.00 18.52 N ATOM 1093 CA TRP A 123 -6.407 11.808 5.823 1.00 22.03 C ATOM 1094 C TRP A 123 -7.036 13.011 5.136 1.00 22.99 C ATOM 1095 O TRP A 123 -7.324 12.932 3.940 1.00 22.47 O ATOM 1096 CB TRP A 123 -7.485 10.748 6.124 1.00 25.16 C ATOM 1097 CG TRP A 123 -8.516 11.136 7.142 1.00 25.45 C ATOM 1098 CD1 TRP A 123 -8.491 10.860 8.473 1.00 24.93 C ATOM 1099 CD2 TRP A 123 -9.735 11.862 6.904 1.00 25.32 C ATOM 1100 NE1 TRP A 123 -9.613 11.365 9.077 1.00 22.10 N ATOM 1101 CE2 TRP A 123 -10.393 11.983 8.140 1.00 23.11 C ATOM 1102 CE3 TRP A 123 -10.330 12.415 5.765 1.00 22.51 C ATOM 1103 CZ2 TRP A 123 -11.624 12.642 8.276 1.00 21.83 C ATOM 1104 CZ3 TRP A 123 -11.547 13.072 5.897 1.00 23.66 C ATOM 1105 CH2 TRP A 123 -12.172 13.192 7.148 1.00 21.06 C ATOM 1106 HE1 TRP A 123 -9.836 11.290 10.090 1.00 0.00 H ATOM 1107 H TRP A 123 -6.153 12.379 7.914 1.00 0.00 H ATOM 1108 N PHE A 124 -7.264 14.113 5.850 1.00 25.36 N ATOM 1109 CA PHE A 124 -7.779 15.302 5.181 1.00 24.72 C ATOM 1110 C PHE A 124 -6.897 15.735 4.019 1.00 28.01 C ATOM 1111 O PHE A 124 -7.451 16.135 2.981 1.00 29.50 O ATOM 1112 CB PHE A 124 -7.949 16.431 6.208 1.00 28.48 C ATOM 1113 CG PHE A 124 -9.265 17.127 6.150 1.00 32.57 C ATOM 1114 CD1 PHE A 124 -10.407 16.531 6.661 1.00 33.70 C ATOM 1115 CD2 PHE A 124 -9.353 18.403 5.634 1.00 31.30 C ATOM 1116 CE1 PHE A 124 -11.611 17.183 6.623 1.00 32.35 C ATOM 1117 CE2 PHE A 124 -10.558 19.063 5.592 1.00 35.28 C ATOM 1118 CZ PHE A 124 -11.688 18.455 6.091 1.00 36.46 C ATOM 1119 H PHE A 124 -7.077 14.125 6.873 1.00 0.00 H ATOM 1120 N PRO A 125 -5.558 15.677 4.106 1.00 31.61 N ATOM 1121 CA PRO A 125 -4.738 15.954 2.913 1.00 34.21 C ATOM 1122 C PRO A 125 -5.059 15.082 1.713 1.00 35.69 C ATOM 1123 O PRO A 125 -4.995 15.571 0.575 1.00 38.75 O ATOM 1124 CB PRO A 125 -3.310 15.710 3.419 1.00 30.95 C ATOM 1125 CG PRO A 125 -3.375 16.095 4.864 1.00 38.32 C ATOM 1126 CD PRO A 125 -4.726 15.608 5.325 1.00 27.83 C ATOM 1127 N LEU A 126 -5.364 13.795 1.919 1.00 27.08 N ATOM 1128 CA LEU A 126 -5.755 12.958 0.789 1.00 25.39 C ATOM 1129 C LEU A 126 -7.097 13.396 0.230 1.00 24.68 C ATOM 1130 O LEU A 126 -7.282 13.445 -0.993 1.00 27.68 O ATOM 1131 CB LEU A 126 -5.819 11.478 1.192 1.00 24.10 C ATOM 1132 CG LEU A 126 -4.574 10.813 1.773 1.00 36.19 C ATOM 1133 CD1 LEU A 126 -4.874 9.348 2.118 1.00 24.96 C ATOM 1134 CD2 LEU A 126 -3.420 10.911 0.790 1.00 39.72 C ATOM 1135 H LEU A 126 -5.323 13.394 2.878 1.00 0.00 H ATOM 1136 N LEU A 127 -8.040 13.719 1.117 1.00 20.69 N ATOM 1137 CA LEU A 127 -9.346 14.188 0.682 1.00 24.87 C ATOM 1138 C LEU A 127 -9.199 15.416 -0.205 1.00 26.37 C ATOM 1139 O LEU A 127 -9.842 15.515 -1.253 1.00 27.31 O ATOM 1140 CB LEU A 127 -10.207 14.506 1.906 1.00 27.18 C ATOM 1141 CG LEU A 127 -11.638 14.976 1.686 1.00 35.34 C ATOM 1142 CD1 LEU A 127 -12.560 13.790 1.796 1.00 37.32 C ATOM 1143 CD2 LEU A 127 -11.990 16.028 2.718 1.00 30.78 C ATOM 1144 H LEU A 127 -7.838 13.634 2.134 1.00 0.00 H ATOM 1145 N LEU A 128 -8.316 16.339 0.187 1.00 29.56 N ATOM 1146 CA LEU A 128 -8.113 17.594 -0.527 1.00 33.07 C ATOM 1147 C LEU A 128 -7.475 17.404 -1.889 1.00 37.36 C ATOM 1148 O LEU A 128 -7.621 18.285 -2.743 1.00 33.66 O ATOM 1149 CB LEU A 128 -7.239 18.531 0.310 1.00 32.38 C ATOM 1150 CG LEU A 128 -7.899 19.135 1.543 1.00 34.41 C ATOM 1151 CD1 LEU A 128 -7.149 20.373 1.960 1.00 39.22 C ATOM 1152 CD2 LEU A 128 -9.339 19.473 1.237 1.00 33.10 C ATOM 1153 H LEU A 128 -7.749 16.154 1.039 1.00 0.00 H ATOM 1154 N GLN A 129 -6.742 16.304 -2.102 1.00 30.89 N ATOM 1155 CA GLN A 129 -6.164 15.983 -3.401 1.00 31.66 C ATOM 1156 C GLN A 129 -7.001 14.975 -4.171 1.00 30.13 C ATOM 1157 O GLN A 129 -6.499 14.358 -5.116 1.00 34.41 O ATOM 1158 CB GLN A 129 -4.730 15.470 -3.244 1.00 30.39 C ATOM 1159 CG GLN A 129 -3.681 16.538 -3.532 1.00 45.02 C ATOM 1160 CD GLN A 129 -2.408 16.355 -2.730 1.00 52.17 C ATOM 1161 OE1 GLN A 129 -2.150 15.276 -2.181 1.00 45.35 O ATOM 1162 NE2 GLN A 129 -1.599 17.416 -2.650 1.00 40.10 N ATOM 1163 HE22 GLN A 129 -1.856 18.303 -3.128 1.00 0.00 H ATOM 1164 HE21 GLN A 129 -0.712 17.354 -2.110 1.00 0.00 H ATOM 1165 H GLN A 129 -6.578 15.652 -1.308 1.00 0.00 H ATOM 1166 N LYS A 130 -8.267 14.793 -3.777 1.00 26.25 N ATOM 1167 CA LYS A 130 -9.210 13.932 -4.486 1.00 26.13 C ATOM 1168 C LYS A 130 -8.765 12.474 -4.480 1.00 29.86 C ATOM 1169 O LYS A 130 -9.047 11.729 -5.417 1.00 34.46 O ATOM 1170 CB LYS A 130 -9.433 14.414 -5.925 1.00 37.58 C ATOM 1171 H LYS A 130 -8.595 15.289 -2.924 1.00 0.00 H ATOM 1172 N LYS A 131 -8.050 12.058 -3.444 1.00 26.78 N ATOM 1173 CA LYS A 131 -7.706 10.651 -3.304 1.00 19.82 C ATOM 1174 C LYS A 131 -8.750 9.945 -2.443 1.00 28.05 C ATOM 1175 O LYS A 131 -9.440 10.555 -1.620 1.00 31.21 O ATOM 1176 CB LYS A 131 -6.312 10.489 -2.695 1.00 27.53 C ATOM 1177 CG LYS A 131 -5.170 10.909 -3.614 1.00 33.76 C ATOM 1178 CD LYS A 131 -3.821 10.541 -3.011 1.00 41.29 C ATOM 1179 H LYS A 131 -7.733 12.741 -2.727 1.00 0.00 H ATOM 1180 N LYS A 132 -8.866 8.641 -2.645 1.00 23.79 N ATOM 1181 CA LYS A 132 -9.747 7.808 -1.843 1.00 25.10 C ATOM 1182 C LYS A 132 -8.900 6.976 -0.892 1.00 26.44 C ATOM 1183 O LYS A 132 -7.729 6.701 -1.164 1.00 27.16 O ATOM 1184 CB LYS A 132 -10.611 6.925 -2.750 1.00 22.54 C ATOM 1185 CG LYS A 132 -11.554 7.761 -3.613 1.00 25.85 C ATOM 1186 CD LYS A 132 -12.469 6.890 -4.463 1.00 32.45 C ATOM 1187 H LYS A 132 -8.308 8.198 -3.403 1.00 0.00 H ATOM 1188 N PHE A 133 -9.478 6.575 0.241 1.00 24.13 N ATOM 1189 CA PHE A 133 -8.611 5.964 1.240 1.00 20.00 C ATOM 1190 C PHE A 133 -9.352 4.997 2.147 1.00 23.11 C ATOM 1191 O PHE A 133 -10.556 5.120 2.376 1.00 20.83 O ATOM 1192 CB PHE A 133 -7.948 7.038 2.106 1.00 24.98 C ATOM 1193 CG PHE A 133 -8.923 8.024 2.681 1.00 26.00 C ATOM 1194 CD1 PHE A 133 -9.563 7.767 3.886 1.00 27.82 C ATOM 1195 CD2 PHE A 133 -9.223 9.193 1.997 1.00 25.75 C ATOM 1196 CE1 PHE A 133 -10.468 8.678 4.413 1.00 27.78 C ATOM 1197 CE2 PHE A 133 -10.134 10.101 2.512 1.00 27.91 C ATOM 1198 CZ PHE A 133 -10.751 9.843 3.726 1.00 20.05 C ATOM 1199 H PHE A 133 -10.498 6.693 0.404 1.00 0.00 H ATOM 1200 N HIS A 134 -8.578 4.060 2.708 1.00 23.61 N ATOM 1201 CA HIS A 134 -8.994 3.191 3.801 1.00 19.84 C ATOM 1202 C HIS A 134 -8.100 3.477 5.003 1.00 28.72 C ATOM 1203 O HIS A 134 -6.870 3.484 4.873 1.00 27.05 O ATOM 1204 CB HIS A 134 -8.882 1.706 3.422 1.00 25.46 C ATOM 1205 CG HIS A 134 -10.001 1.203 2.558 1.00 36.79 C ATOM 1206 ND1 HIS A 134 -10.049 -0.091 2.082 1.00 29.18 N ATOM 1207 CD2 HIS A 134 -11.112 1.818 2.086 1.00 24.25 C ATOM 1208 CE1 HIS A 134 -11.147 -0.251 1.362 1.00 31.97 C ATOM 1209 NE2 HIS A 134 -11.810 0.892 1.349 1.00 31.03 N ATOM 1210 H HIS A 134 -7.613 3.944 2.338 1.00 0.00 H ATOM 1211 N GLY A 135 -8.705 3.707 6.161 1.00 24.87 N ATOM 1212 CA GLY A 135 -7.950 4.105 7.338 1.00 24.17 C ATOM 1213 C GLY A 135 -8.363 3.345 8.582 1.00 24.12 C ATOM 1214 O GLY A 135 -9.503 2.895 8.720 1.00 25.83 O ATOM 1215 H GLY A 135 -9.737 3.601 6.228 1.00 0.00 H ATOM 1216 N TYR A 136 -7.410 3.214 9.505 1.00 23.43 N ATOM 1217 CA TYR A 136 -7.674 2.662 10.825 1.00 20.09 C ATOM 1218 C TYR A 136 -6.885 3.468 11.842 1.00 26.97 C ATOM 1219 O TYR A 136 -5.674 3.654 11.687 1.00 23.15 O ATOM 1220 CB TYR A 136 -7.293 1.174 10.906 1.00 25.45 C ATOM 1221 CG TYR A 136 -7.696 0.465 12.193 1.00 35.97 C ATOM 1222 CD1 TYR A 136 -6.956 0.612 13.360 1.00 36.60 C ATOM 1223 CD2 TYR A 136 -8.814 -0.363 12.232 1.00 45.91 C ATOM 1224 CE1 TYR A 136 -7.320 -0.038 14.526 1.00 43.17 C ATOM 1225 CE2 TYR A 136 -9.186 -1.019 13.397 1.00 39.08 C ATOM 1226 CZ TYR A 136 -8.435 -0.854 14.538 1.00 47.91 C ATOM 1227 OH TYR A 136 -8.797 -1.508 15.694 1.00 49.08 O ATOM 1228 HH TYR A 136 -8.156 -1.282 16.414 1.00 0.00 H ATOM 1229 H TYR A 136 -6.443 3.517 9.273 1.00 0.00 H ATOM 1230 N PHE A 137 -7.566 3.956 12.873 1.00 23.91 N ATOM 1231 CA PHE A 137 -6.914 4.746 13.907 1.00 24.42 C ATOM 1232 C PHE A 137 -7.260 4.182 15.273 1.00 25.67 C ATOM 1233 O PHE A 137 -8.438 3.974 15.581 1.00 26.80 O ATOM 1234 CB PHE A 137 -7.324 6.223 13.803 1.00 22.45 C ATOM 1235 CG PHE A 137 -6.891 6.878 12.517 1.00 21.45 C ATOM 1236 CD1 PHE A 137 -7.647 6.745 11.370 1.00 23.05 C ATOM 1237 CD2 PHE A 137 -5.713 7.616 12.456 1.00 23.01 C ATOM 1238 CE1 PHE A 137 -7.247 7.345 10.172 1.00 24.88 C ATOM 1239 CE2 PHE A 137 -5.308 8.193 11.275 1.00 22.73 C ATOM 1240 CZ PHE A 137 -6.077 8.066 10.135 1.00 23.27 C ATOM 1241 H PHE A 137 -8.587 3.770 12.943 1.00 0.00 H ATOM 1242 N LYS A 138 -6.235 3.969 16.104 1.00 26.90 N ATOM 1243 CA LYS A 138 -6.394 3.492 17.475 1.00 26.19 C ATOM 1244 C LYS A 138 -6.119 4.630 18.447 1.00 22.72 C ATOM 1245 O LYS A 138 -4.994 5.142 18.506 1.00 25.42 O ATOM 1246 CB LYS A 138 -5.454 2.319 17.759 1.00 28.56 C ATOM 1247 CG LYS A 138 -5.338 1.956 19.236 1.00 28.77 C ATOM 1248 CD LYS A 138 -4.704 0.574 19.422 1.00 34.07 C ATOM 1249 H LYS A 138 -5.273 4.153 15.755 1.00 0.00 H ATOM 1250 N PHE A 139 -7.132 5.003 19.226 1.00 19.30 N ATOM 1251 CA PHE A 139 -7.055 6.138 20.141 1.00 22.99 C ATOM 1252 C PHE A 139 -6.933 5.664 21.583 1.00 23.66 C ATOM 1253 O PHE A 139 -7.552 4.668 21.975 1.00 29.37 O ATOM 1254 CB PHE A 139 -8.301 7.022 20.028 1.00 29.60 C ATOM 1255 CG PHE A 139 -8.234 8.042 18.927 1.00 21.18 C ATOM 1256 CD1 PHE A 139 -8.447 7.676 17.617 1.00 28.94 C ATOM 1257 CD2 PHE A 139 -7.962 9.369 19.214 1.00 33.65 C ATOM 1258 CE1 PHE A 139 -8.394 8.611 16.597 1.00 29.04 C ATOM 1259 CE2 PHE A 139 -7.900 10.328 18.190 1.00 25.68 C ATOM 1260 CZ PHE A 139 -8.120 9.943 16.887 1.00 31.75 C ATOM 1261 H PHE A 139 -8.019 4.461 19.181 1.00 0.00 H ATOM 1262 N GLN A 140 -6.160 6.402 22.376 1.00 28.05 N ATOM 1263 CA GLN A 140 -6.212 6.332 23.834 1.00 27.78 C ATOM 1264 C GLN A 140 -6.820 7.640 24.318 1.00 33.80 C ATOM 1265 O GLN A 140 -6.161 8.685 24.288 1.00 30.69 O ATOM 1266 CB GLN A 140 -4.826 6.099 24.428 1.00 33.41 C ATOM 1267 CG GLN A 140 -4.837 5.825 25.927 1.00 43.11 C ATOM 1268 CD GLN A 140 -3.680 4.943 26.363 1.00 49.97 C ATOM 1269 OE1 GLN A 140 -2.515 5.302 26.202 1.00 52.72 O ATOM 1270 NE2 GLN A 140 -4.000 3.776 26.916 1.00 55.69 N ATOM 1271 HE22 GLN A 140 -4.999 3.513 27.033 1.00 0.00 H ATOM 1272 HE21 GLN A 140 -3.251 3.127 27.231 1.00 0.00 H ATOM 1273 H GLN A 140 -5.486 7.061 21.936 1.00 0.00 H ATOM 1274 N GLY A 141 -8.080 7.591 24.738 1.00 27.44 N ATOM 1275 CA GLY A 141 -8.774 8.847 24.972 1.00 31.39 C ATOM 1276 C GLY A 141 -9.051 9.564 23.657 1.00 32.27 C ATOM 1277 O GLY A 141 -8.974 8.993 22.579 1.00 33.25 O ATOM 1278 H GLY A 141 -8.556 6.680 24.895 1.00 0.00 H ATOM 1279 N GLN A 142 -9.361 10.853 23.757 1.00 28.70 N ATOM 1280 CA GLN A 142 -9.753 11.615 22.583 1.00 26.29 C ATOM 1281 C GLN A 142 -8.606 12.391 21.962 1.00 33.67 C ATOM 1282 O GLN A 142 -8.817 13.081 20.961 1.00 28.97 O ATOM 1283 CB GLN A 142 -10.885 12.582 22.929 1.00 35.54 C ATOM 1284 CG GLN A 142 -12.061 11.967 23.669 1.00 32.87 C ATOM 1285 CD GLN A 142 -13.191 12.962 23.852 1.00 45.83 C ATOM 1286 OE1 GLN A 142 -13.111 14.095 23.379 1.00 52.22 O ATOM 1287 NE2 GLN A 142 -14.251 12.544 24.538 1.00 53.29 N ATOM 1288 HE22 GLN A 142 -14.275 11.577 24.920 1.00 0.00 H ATOM 1289 HE21 GLN A 142 -15.056 13.184 24.693 1.00 0.00 H ATOM 1290 H GLN A 142 -9.323 11.321 24.685 1.00 0.00 H ATOM 1291 N ASP A 143 -7.402 12.306 22.529 1.00 30.17 N ATOM 1292 CA ASP A 143 -6.307 13.172 22.122 1.00 33.51 C ATOM 1293 C ASP A 143 -5.131 12.443 21.514 1.00 37.39 C ATOM 1294 O ASP A 143 -4.335 13.080 20.821 1.00 34.92 O ATOM 1295 CB ASP A 143 -5.785 13.985 23.318 1.00 35.90 C ATOM 1296 CG ASP A 143 -6.824 14.923 23.873 1.00 44.12 C ATOM 1297 OD1 ASP A 143 -7.776 15.255 23.132 1.00 39.28 O ATOM 1298 OD2 ASP A 143 -6.698 15.317 25.053 1.00 63.72 O ATOM 1299 H ASP A 143 -7.242 11.604 23.280 1.00 0.00 H ATOM 1300 N THR A 144 -4.976 11.149 21.767 1.00 26.80 N ATOM 1301 CA THR A 144 -3.734 10.454 21.454 1.00 27.28 C ATOM 1302 C THR A 144 -3.981 9.289 20.509 1.00 35.63 C ATOM 1303 O THR A 144 -4.713 8.351 20.854 1.00 28.77 O ATOM 1304 CB THR A 144 -3.063 9.958 22.731 1.00 38.02 C ATOM 1305 OG1 THR A 144 -3.047 11.013 23.708 1.00 35.66 O ATOM 1306 CG2 THR A 144 -1.647 9.516 22.422 1.00 32.13 C ATOM 1307 HG1 THR A 144 -2.543 11.786 23.349 1.00 0.00 H ATOM 1308 H THR A 144 -5.760 10.619 22.199 1.00 0.00 H ATOM 1309 N ILE A 145 -3.343 9.341 19.338 1.00 24.98 N ATOM 1310 CA ILE A 145 -3.306 8.222 18.402 1.00 23.24 C ATOM 1311 C ILE A 145 -2.163 7.300 18.809 1.00 31.06 C ATOM 1312 O ILE A 145 -1.000 7.718 18.835 1.00 34.07 O ATOM 1313 CB ILE A 145 -3.127 8.705 16.954 1.00 28.03 C ATOM 1314 CG1 ILE A 145 -4.333 9.524 16.499 1.00 28.24 C ATOM 1315 CG2 ILE A 145 -2.937 7.528 16.000 1.00 29.31 C ATOM 1316 CD1 ILE A 145 -4.036 10.334 15.271 1.00 25.57 C ATOM 1317 H ILE A 145 -2.849 10.219 19.081 1.00 0.00 H ATOM 1318 N LEU A 146 -2.498 6.049 19.141 1.00 27.11 N ATOM 1319 CA LEU A 146 -1.493 5.062 19.536 1.00 35.78 C ATOM 1320 C LEU A 146 -0.855 4.411 18.320 1.00 35.31 C ATOM 1321 O LEU A 146 0.364 4.213 18.280 1.00 40.29 O ATOM 1322 CB LEU A 146 -2.117 3.985 20.432 1.00 33.20 C ATOM 1323 CG LEU A 146 -2.773 4.458 21.722 1.00 24.61 C ATOM 1324 CD1 LEU A 146 -3.306 3.266 22.526 1.00 33.14 C ATOM 1325 CD2 LEU A 146 -1.768 5.231 22.541 1.00 32.83 C ATOM 1326 H LEU A 146 -3.500 5.770 19.118 1.00 0.00 H ATOM 1327 N ASP A 147 -1.668 4.032 17.341 1.00 28.39 N ATOM 1328 CA ASP A 147 -1.159 3.567 16.057 1.00 30.33 C ATOM 1329 C ASP A 147 -2.252 3.783 15.019 1.00 27.42 C ATOM 1330 O ASP A 147 -3.389 4.129 15.351 1.00 28.63 O ATOM 1331 CB ASP A 147 -0.691 2.107 16.125 1.00 38.81 C ATOM 1332 CG ASP A 147 -1.788 1.106 15.813 1.00 40.64 C ATOM 1333 OD1 ASP A 147 -2.961 1.321 16.181 1.00 47.97 O ATOM 1334 OD2 ASP A 147 -1.467 0.078 15.183 1.00 53.56 O ATOM 1335 H ASP A 147 -2.696 4.068 17.495 1.00 0.00 H ATOM 1336 N TYR A 148 -1.891 3.595 13.756 1.00 28.25 N ATOM 1337 CA TYR A 148 -2.839 3.824 12.670 1.00 26.56 C ATOM 1338 C TYR A 148 -2.317 3.163 11.406 1.00 35.02 C ATOM 1339 O TYR A 148 -1.119 2.894 11.272 1.00 34.64 O ATOM 1340 CB TYR A 148 -3.079 5.327 12.426 1.00 25.58 C ATOM 1341 CG TYR A 148 -2.008 5.985 11.586 1.00 30.83 C ATOM 1342 CD1 TYR A 148 -0.821 6.412 12.163 1.00 34.69 C ATOM 1343 CD2 TYR A 148 -2.185 6.183 10.220 1.00 31.08 C ATOM 1344 CE1 TYR A 148 0.167 7.007 11.405 1.00 34.70 C ATOM 1345 CE2 TYR A 148 -1.204 6.774 9.454 1.00 34.42 C ATOM 1346 CZ TYR A 148 -0.030 7.181 10.052 1.00 40.39 C ATOM 1347 OH TYR A 148 0.951 7.774 9.301 1.00 46.79 O ATOM 1348 HH TYR A 148 1.719 8.001 9.883 1.00 0.00 H ATOM 1349 H TYR A 148 -0.924 3.282 13.538 1.00 0.00 H ATOM 1350 N THR A 149 -3.233 2.914 10.474 1.00 23.28 N ATOM 1351 CA THR A 149 -2.869 2.612 9.098 1.00 29.97 C ATOM 1352 C THR A 149 -3.712 3.471 8.163 1.00 30.31 C ATOM 1353 O THR A 149 -4.855 3.812 8.473 1.00 29.03 O ATOM 1354 CB THR A 149 -3.055 1.126 8.765 1.00 30.52 C ATOM 1355 OG1 THR A 149 -2.568 0.865 7.447 1.00 45.23 O ATOM 1356 CG2 THR A 149 -4.501 0.750 8.829 1.00 30.35 C ATOM 1357 HG1 THR A 149 -2.690 -0.094 7.236 1.00 0.00 H ATOM 1358 H THR A 149 -4.239 2.936 10.737 1.00 0.00 H ATOM 1359 N LEU A 150 -3.137 3.830 7.020 1.00 26.25 N ATOM 1360 CA LEU A 150 -3.855 4.660 6.054 1.00 23.47 C ATOM 1361 C LEU A 150 -3.338 4.357 4.658 1.00 25.75 C ATOM 1362 O LEU A 150 -2.148 4.538 4.376 1.00 29.77 O ATOM 1363 CB LEU A 150 -3.704 6.147 6.389 1.00 27.86 C ATOM 1364 CG LEU A 150 -4.467 7.105 5.469 1.00 23.18 C ATOM 1365 CD1 LEU A 150 -5.970 6.867 5.550 1.00 23.90 C ATOM 1366 CD2 LEU A 150 -4.154 8.514 5.876 1.00 30.60 C ATOM 1367 H LEU A 150 -2.167 3.518 6.811 1.00 0.00 H ATOM 1368 N ARG A 151 -4.229 3.886 3.794 1.00 20.47 N ATOM 1369 CA ARG A 151 -3.871 3.400 2.469 1.00 28.27 C ATOM 1370 C ARG A 151 -4.768 4.050 1.427 1.00 25.87 C ATOM 1371 O ARG A 151 -5.997 4.026 1.553 1.00 28.62 O ATOM 1372 CB ARG A 151 -3.995 1.869 2.398 1.00 34.93 C ATOM 1373 CG ARG A 151 -4.227 1.303 1.002 1.00 42.74 C ATOM 1374 CD ARG A 151 -4.049 -0.219 0.941 1.00 42.30 C ATOM 1375 NE ARG A 151 -5.262 -0.960 1.296 1.00 42.92 N ATOM 1376 CZ ARG A 151 -6.110 -1.485 0.411 1.00 48.02 C ATOM 1377 NH1 ARG A 151 -7.192 -2.147 0.821 1.00 32.47 N ATOM 1378 NH2 ARG A 151 -5.882 -1.343 -0.891 1.00 48.86 N ATOM 1379 HE ARG A 151 -5.476 -1.085 2.306 1.00 0.00 H ATOM 1380 HH12 ARG A 151 -7.848 -2.553 0.124 1.00 0.00 H ATOM 1381 HH11 ARG A 151 -7.380 -2.257 1.838 1.00 0.00 H ATOM 1382 HH22 ARG A 151 -6.543 -1.752 -1.582 1.00 0.00 H ATOM 1383 HH21 ARG A 151 -5.043 -0.823 -1.218 1.00 0.00 H ATOM 1384 H ARG A 151 -5.230 3.863 4.077 1.00 0.00 H ATOM 1385 N GLU A 152 -4.150 4.627 0.408 1.00 23.46 N ATOM 1386 CA GLU A 152 -4.890 5.113 -0.747 1.00 21.14 C ATOM 1387 C GLU A 152 -5.457 3.943 -1.548 1.00 31.59 C ATOM 1388 O GLU A 152 -4.812 2.898 -1.702 1.00 31.07 O ATOM 1389 CB GLU A 152 -3.980 5.976 -1.624 1.00 29.08 C ATOM 1390 H GLU A 152 -3.116 4.735 0.434 1.00 0.00 H ATOM 1391 N VAL A 153 -6.674 4.121 -2.064 1.00 22.59 N ATOM 1392 CA VAL A 153 -7.410 3.036 -2.696 1.00 23.17 C ATOM 1393 C VAL A 153 -8.061 3.522 -3.990 1.00 33.66 C ATOM 1394 O VAL A 153 -8.312 4.713 -4.185 1.00 26.14 O ATOM 1395 CB VAL A 153 -8.475 2.454 -1.739 1.00 30.71 C ATOM 1396 CG1 VAL A 153 -9.770 3.254 -1.816 1.00 28.77 C ATOM 1397 CG2 VAL A 153 -8.718 1.014 -2.050 1.00 37.85 C ATOM 1398 H VAL A 153 -7.110 5.064 -2.013 1.00 0.00 H ATOM 1399 N ASP A 154 -8.321 2.574 -4.894 1.00 25.08 N ATOM 1400 CA ASP A 154 -9.071 2.870 -6.108 1.00 32.89 C ATOM 1401 C ASP A 154 -10.568 2.728 -5.905 1.00 35.80 C ATOM 1402 O ASP A 154 -11.343 3.371 -6.622 1.00 32.40 O ATOM 1403 CB ASP A 154 -8.647 1.946 -7.259 1.00 31.95 C ATOM 1404 CG ASP A 154 -7.162 2.050 -7.590 1.00 36.21 C ATOM 1405 OD1 ASP A 154 -6.698 3.146 -7.959 1.00 38.60 O ATOM 1406 OD2 ASP A 154 -6.457 1.025 -7.486 1.00 39.27 O ATOM 1407 H ASP A 154 -7.981 1.605 -4.728 1.00 0.00 H ATOM 1408 N THR A 155 -10.984 1.889 -4.955 1.00 27.11 N ATOM 1409 CA THR A 155 -12.391 1.617 -4.688 1.00 42.57 C ATOM 1410 C THR A 155 -12.600 1.646 -3.185 1.00 29.95 C ATOM 1411 O THR A 155 -11.905 0.938 -2.452 1.00 42.61 O ATOM 1412 CB THR A 155 -12.826 0.252 -5.253 1.00 35.29 C ATOM 1413 OG1 THR A 155 -12.446 0.163 -6.629 1.00 42.28 O ATOM 1414 CG2 THR A 155 -14.337 0.088 -5.146 1.00 40.11 C ATOM 1415 HG1 THR A 155 -12.726 -0.715 -6.991 1.00 0.00 H ATOM 1416 H THR A 155 -10.269 1.405 -4.376 1.00 0.00 H ATOM 1417 N VAL A 156 -13.542 2.462 -2.725 1.00 32.78 N ATOM 1418 CA VAL A 156 -13.771 2.595 -1.290 1.00 26.36 C ATOM 1419 C VAL A 156 -14.509 1.380 -0.743 1.00 42.19 C ATOM 1420 O VAL A 156 -15.445 0.891 -1.378 1.00 35.74 O ATOM 1421 CB VAL A 156 -14.529 3.890 -0.973 1.00 28.87 C ATOM 1422 CG1 VAL A 156 -14.812 3.987 0.517 1.00 30.65 C ATOM 1423 CG2 VAL A 156 -13.704 5.069 -1.433 1.00 26.89 C ATOM 1424 OXT VAL A 156 -14.174 0.859 0.332 1.00 38.53 O ATOM 1425 H VAL A 156 -14.121 3.010 -3.393 1.00 0.00 H TER 1426 VAL A 156 HETATM 1427 O HOH 1 -20.407 31.686 1.342 1.00 39.99 O HETATM 1428 O HOH 2 -7.554 -2.252 -2.104 1.00 39.45 O HETATM 1429 O HOH 3 -8.119 -2.225 3.053 1.00 51.17 O HETATM 1430 O HOH 4 -32.250 4.097 2.463 1.00 37.48 O HETATM 1431 O HOH 5 -19.805 3.296 18.411 1.00 32.07 O HETATM 1432 O HOH 6 -14.932 31.222 8.300 1.00 31.89 O HETATM 1433 O HOH 7 -1.619 13.070 23.827 1.00 46.85 O HETATM 1434 O HOH 8 -13.163 14.769 10.728 1.00 31.52 O HETATM 1435 O HOH 9 -25.296 3.326 12.928 1.00 32.79 O HETATM 1436 O HOH 10 -12.644 16.931 13.482 1.00 23.09 O HETATM 1437 O HOH 11 -35.886 2.359 10.748 1.00 36.75 O HETATM 1438 O HOH 12 -17.067 31.236 2.014 1.00 36.52 O HETATM 1439 O HOH 13 -16.308 13.819 12.646 1.00 23.81 O HETATM 1440 O HOH 14 -27.223 20.895 14.227 1.00 40.92 O HETATM 1441 O HOH 15 -18.947 19.567 5.669 1.00 20.73 O HETATM 1442 O HOH 16 -5.883 11.172 25.081 1.00 36.02 O HETATM 1443 O HOH 17 -19.981 -2.229 10.174 1.00 49.04 O HETATM 1444 O HOH 18 -12.846 -5.857 12.346 1.00 38.66 O HETATM 1445 O HOH 19 -11.908 -2.373 -7.083 1.00 27.05 O HETATM 1446 O HOH 20 -3.506 17.587 -0.264 1.00 44.28 O HETATM 1447 O HOH 21 -9.397 17.085 24.179 1.00 52.01 O HETATM 1448 O HOH 22 -7.423 7.152 -4.791 1.00 32.00 O HETATM 1449 O HOH 23 -34.608 13.602 8.938 1.00 40.30 O HETATM 1450 O HOH 24 -36.546 0.155 12.899 1.00 34.88 O HETATM 1451 O HOH 25 -16.143 -5.140 18.300 1.00 34.60 O HETATM 1452 O HOH 26 -11.279 -1.392 22.325 1.00 36.49 O HETATM 1453 O HOH 27 -20.761 30.926 11.957 1.00 25.14 O HETATM 1454 O HOH 28 -10.771 30.889 6.126 1.00 32.56 O HETATM 1455 O HOH 29 -15.983 6.427 -4.993 1.00 40.68 O HETATM 1456 O HOH 30 -13.436 1.003 20.260 1.00 23.91 O HETATM 1457 O HOH 31 -15.204 15.476 10.780 1.00 25.80 O HETATM 1458 O HOH 32 -31.933 10.392 3.299 1.00 34.87 O HETATM 1459 O HOH 33 -23.702 13.087 15.085 1.00 40.94 O HETATM 1460 O HOH 34 -17.803 6.338 1.696 1.00 33.72 O HETATM 1461 O HOH 35 -4.092 24.629 8.173 1.00 37.69 O HETATM 1462 O HOH 36 -6.226 17.413 13.133 1.00 26.07 O HETATM 1463 O HOH 37 -9.086 20.696 -3.019 1.00 42.35 O HETATM 1464 O HOH 38 -26.083 8.574 8.734 1.00 29.64 O HETATM 1465 O HOH 39 -33.000 8.206 4.672 1.00 42.09 O HETATM 1466 O HOH 40 -4.822 24.606 13.229 1.00 38.03 O HETATM 1467 O HOH 41 -30.402 0.000 16.080 1.00 40.79 O HETATM 1468 O HOH 42 -24.311 27.687 1.173 1.00 37.17 O HETATM 1469 O HOH 43 -28.907 16.400 2.300 1.00 31.15 O HETATM 1470 O HOH 44 -24.800 10.140 -5.151 1.00 44.96 O HETATM 1471 O HOH 45 -26.054 0.620 2.629 1.00 38.18 O HETATM 1472 O HOH 46 -2.545 14.852 14.636 1.00 33.55 O HETATM 1473 O HOH 47 -9.240 -0.478 -4.651 1.00 39.89 O HETATM 1474 O HOH 48 -7.258 -2.401 23.003 1.00 35.32 O HETATM 1475 O HOH 49 -4.780 24.001 5.701 1.00 39.58 O HETATM 1476 O HOH 50 -33.038 18.888 7.190 1.00 44.70 O HETATM 1477 O HOH 51 -15.266 4.008 -4.601 1.00 43.65 O HETATM 1478 O HOH 52 -25.109 3.188 0.557 1.00 36.85 O HETATM 1479 O HOH 53 -17.496 -2.496 5.131 1.00 44.73 O HETATM 1480 O HOH 54 -5.969 -2.528 15.872 1.00 50.10 O HETATM 1481 O HOH 55 -17.746 1.044 23.078 1.00 34.43 O HETATM 1482 O HOH 56 -2.089 20.393 -3.054 1.00 35.54 O HETATM 1483 O HOH 57 -32.972 2.780 13.665 1.00 31.85 O HETATM 1484 O HOH 58 -16.995 14.708 17.398 1.00 41.27 O HETATM 1485 O HOH 59 -30.219 22.302 18.726 1.00 46.02 O HETATM 1486 O HOH 60 0.000 0.000 11.560 1.00 42.45 O HETATM 1487 O HOH 61 -10.310 27.381 15.119 1.00 37.26 O HETATM 1488 O HOH 62 -21.431 16.892 -5.755 1.00 40.80 O HETATM 1489 O HOH 63 -19.532 27.484 19.919 1.00 37.63 O HETATM 1490 O HOH 64 -26.959 27.653 -2.004 1.00 46.61 O HETATM 1491 O HOH 65 -19.305 4.132 1.465 1.00 38.52 O HETATM 1492 O HOH 66 -25.617 31.105 11.812 1.00 36.39 O HETATM 1493 O HOH 67 -23.479 24.331 -5.099 1.00 43.49 O HETATM 1494 O HOH 68 -9.020 19.705 20.329 1.00 48.46 O HETATM 1495 O HOH 69 -14.666 2.486 -7.463 1.00 48.45 O HETATM 1496 O HOH 70 -1.013 11.719 19.219 1.00 45.13 O HETATM 1497 O HOH 71 -27.163 11.159 15.518 1.00 45.51 O HETATM 1498 O HOH 72 0.258 3.473 6.872 1.00 49.43 O HETATM 1499 O HOH 73 -17.748 3.734 20.127 1.00 41.27 O HETATM 1500 O HOH 74 -25.337 17.520 -8.043 1.00 48.56 O HETATM 1501 O HOH 75 -19.929 11.188 12.966 1.00 23.82 O HETATM 1502 O HOH 76 -0.681 4.198 0.142 1.00 44.89 O HETATM 1503 O HOH 77 -3.228 23.993 11.068 1.00 45.44 O HETATM 1504 O HOH 78 -31.301 29.578 1.953 1.00 44.31 O HETATM 1505 O HOH 79 -1.802 18.422 8.445 1.00 45.08 O HETATM 1506 O HOH 80 -22.282 11.034 22.107 1.00 61.24 O HETATM 1507 O HOH 81 -1.054 12.989 16.332 1.00 42.19 O HETATM 1508 O HOH 82 -8.755 30.162 9.923 1.00 47.17 O HETATM 1509 O HOH 83 -4.172 3.294 -5.325 1.00 42.42 O HETATM 1510 O HOH 84 -22.042 30.356 7.865 1.00 42.08 O HETATM 1511 O HOH 85 -12.243 -9.671 12.121 1.00 57.31 O HETATM 1512 O HOH 86 -11.754 0.118 6.226 1.00 47.02 O HETATM 1513 O HOH 87 0.541 14.111 9.803 1.00 38.24 O HETATM 1514 O HOH 88 -22.849 16.987 27.230 1.00 38.11 O HETATM 1515 O HOH 89 2.087 5.581 15.010 1.00 44.74 O HETATM 1516 O HOH 90 -10.994 20.247 -4.020 1.00 45.20 O HETATM 1517 O HOH 91 -23.409 5.973 -7.404 1.00 52.22 O HETATM 1518 O HOH 92 1.707 11.618 7.959 1.00 48.27 O HETATM 1519 O HOH 93 -12.079 10.125 27.123 1.00 54.33 O HETATM 1520 O HOH 94 -15.264 -3.101 8.314 1.00 49.14 O HETATM 1521 O HOH 95 -18.957 -5.226 8.665 1.00 48.48 O HETATM 1522 O HOH 96 -15.524 13.534 -5.113 1.00 43.85 O HETATM 1523 O HOH 97 -9.159 23.283 -7.917 1.00 44.06 O HETATM 1524 O HOH 98 -4.628 7.588 -4.821 1.00 36.32 O HETATM 1525 O HOH 99 -16.666 5.616 20.849 1.00 43.57 O HETATM 1526 O HOH 100 -27.523 10.168 18.938 1.00 55.01 O HETATM 1527 O HOH 101 -28.433 4.868 19.993 1.00 50.68 O HETATM 1528 NAF AX A 7 -12.347 11.006 14.178 1.00 -0.31 N HETATM 1529 CAI AX A 7 -13.338 10.603 15.114 1.00 0.01 C HETATM 1530 CAD AX A 7 -13.267 9.720 16.172 1.00 -0.07 C HETATM 1531 CAB AX A 7 -14.398 9.522 16.928 1.00 -0.08 C HETATM 1532 CAC AX A 7 -15.597 10.201 16.624 1.00 -0.08 C HETATM 1533 CAE AX A 7 -15.681 11.087 15.563 1.00 -0.04 C HETATM 1534 CAJ AX A 7 -14.537 11.307 14.786 1.00 0.07 C HETATM 1535 NAG AX A 7 -14.332 12.154 13.658 1.00 -0.23 N HETATM 1536 CAH AX A 7 -13.008 11.934 13.333 1.00 0.21 C HETATM 1537 NAA AX A 7 -12.308 12.496 12.337 1.00 -0.29 N HETATM 1538 H6 AX A 7 -11.319 12.246 12.198 1.00 0.19 H HETATM 1539 H7 AX A 7 -12.760 13.178 11.711 1.00 0.19 H HETATM 1540 H5 AX A 7 -15.008 12.779 13.197 1.00 0.23 H HETATM 1541 H4 AX A 7 -16.610 11.598 15.339 1.00 0.05 H HETATM 1542 H3 AX A 7 -16.474 10.025 17.236 1.00 0.05 H HETATM 1543 H2 AX A 7 -14.368 8.836 17.767 1.00 0.05 H HETATM 1544 H1 AX A 7 -12.345 9.197 16.401 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1528 1529 1536 CONECT 1529 1528 1530 1534 CONECT 1530 1529 1531 1544 CONECT 1531 1530 1532 1543 CONECT 1532 1531 1533 1542 CONECT 1533 1532 1534 1541 CONECT 1534 1529 1533 1535 CONECT 1535 1534 1536 1540 CONECT 1536 1528 1535 1537 CONECT 1537 1536 1538 1539 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1535 CONECT 1541 1533 CONECT 1542 1532 CONECT 1543 1531 CONECT 1544 1530 MASTER 0 0 0 0 0 0 0 0 1543 1 21 12 END
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Structure:
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Related entries of code: 6eq5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
156aa, >3WHW_1|Chains... at 100%
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PDBbind
158aa, >4C9W_1|Chain... at 100%
4c9x
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158aa, >4C9X_1|Chain... at 100%
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159aa, >4N1T_1|Chain... at 98%
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PDBbind
158aa, >4N1U_1|Chains... at 98%
5ans
RCSB PDB
PDBbind
175aa, >5ANS_1|Chain... at 93%
5ant
RCSB PDB
PDBbind
175aa, >5ANT_1|Chains... at 93%
5anu
RCSB PDB
PDBbind
158aa, >5ANU_1|Chain... at 100%
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RCSB PDB
PDBbind
158aa, >5ANV_1|Chain... at 100%
5anw
RCSB PDB
PDBbind
158aa, >5ANW_1|Chain... at 100%
5fsl
RCSB PDB
PDBbind
156aa, >5FSL_1|Chain... at 100%
5fsm
RCSB PDB
PDBbind
156aa, >5FSM_1|Chain... at 100%
5fsn
RCSB PDB
PDBbind
156aa, >5FSN_1|Chain... at 100%
5fso
RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
5ngt
RCSB PDB
PDBbind
159aa, >5NGT_1|Chain... at 98%
5nhy
RCSB PDB
PDBbind
159aa, >5NHY_1|Chains... at 98%
6f1x
RCSB PDB
PDBbind
159aa, >6F1X_1|Chains... at 98%
6f20
RCSB PDB
PDBbind
159aa, >6F20_1|Chains... at 98%
6f22
RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
6f23
RCSB PDB
PDBbind
159aa, >6F23_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
PDBbind
182aa, >6EQ3_1|Chain... at 100%
6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
6aa5
RCSB PDB
PDBbind
163aa, >6AA5_1|Chain... at 94%
6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3kqs
RCSB PDB
PDBbind
AX7
Entry Information
PDB ID
6eq5
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
7,8-dihydro-8-oxoguanine triphosphatase
Ligand Name
AX7
EC.Number
E.C.3.6.1.55;3.6.1.56
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=18uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Eur.J.Med.Chem. Vol. 175: pp. 107-113
Ligand Properties
Formula
C
7
H
7
N
3
Molecular Weight
133.151
Exact Mass
133.064
No. of atoms
17
No. of bonds
18
Polar Surface Area
54.7
LOGP Value
1.14 (
Computed with XLOGP3
)
1.73 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
Nc1nc2c([nH]1)cccc2
InChI String
InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
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):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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