Browse entries in the PDBbind-CN Database
HEADER 6EQ7_COMPLEX COMPND 6EQ7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET BS A 8 25 ATOM 1 N ALA A 3 -16.303 -12.819 -6.368 1.00 33.16 N ATOM 2 CA ALA A 3 -17.146 -12.151 -5.382 1.00 22.11 C ATOM 3 C ALA A 3 -16.644 -12.429 -3.965 1.00 20.50 C ATOM 4 O ALA A 3 -17.104 -13.366 -3.315 1.00 22.63 O ATOM 5 CB ALA A 3 -18.591 -12.601 -5.532 1.00 29.87 C ATOM 6 HN3 ALA A 3 -16.321 -13.845 -6.200 1.00 0.00 H ATOM 7 HN2 ALA A 3 -15.327 -12.470 -6.282 1.00 0.00 H ATOM 8 HN1 ALA A 3 -16.662 -12.617 -7.323 1.00 0.00 H ATOM 9 N SER A 4 -15.695 -11.616 -3.496 1.00 22.08 N ATOM 10 CA SER A 4 -15.126 -11.787 -2.166 1.00 16.20 C ATOM 11 C SER A 4 -14.856 -10.430 -1.534 1.00 21.59 C ATOM 12 O SER A 4 -14.605 -9.439 -2.226 1.00 26.94 O ATOM 13 CB SER A 4 -13.842 -12.624 -2.180 1.00 22.08 C ATOM 14 OG SER A 4 -12.772 -11.908 -2.765 1.00 35.19 O ATOM 15 HG SER A 4 -12.606 -11.082 -2.245 1.00 0.00 H ATOM 16 H SER A 4 -15.352 -10.839 -4.097 1.00 0.00 H ATOM 17 N ARG A 5 -14.923 -10.399 -0.207 1.00 13.76 N ATOM 18 CA ARG A 5 -14.755 -9.189 0.588 1.00 12.73 C ATOM 19 C ARG A 5 -13.570 -9.396 1.518 1.00 12.06 C ATOM 20 O ARG A 5 -13.470 -10.439 2.165 1.00 11.38 O ATOM 21 CB ARG A 5 -16.011 -8.963 1.427 1.00 14.24 C ATOM 22 CG ARG A 5 -15.993 -7.744 2.316 1.00 17.02 C ATOM 23 CD ARG A 5 -16.391 -6.523 1.523 1.00 18.20 C ATOM 24 NE ARG A 5 -16.280 -5.283 2.287 1.00 21.19 N ATOM 25 CZ ARG A 5 -17.299 -4.639 2.855 1.00 38.86 C ATOM 26 NH1 ARG A 5 -18.539 -5.123 2.782 1.00 24.69 N ATOM 27 NH2 ARG A 5 -17.076 -3.498 3.500 1.00 28.91 N ATOM 28 HE ARG A 5 -15.332 -4.871 2.396 1.00 0.00 H ATOM 29 HH12 ARG A 5 -19.325 -4.610 3.230 1.00 0.00 H ATOM 30 HH11 ARG A 5 -18.721 -6.014 2.277 1.00 0.00 H ATOM 31 HH22 ARG A 5 -17.866 -2.990 3.946 1.00 0.00 H ATOM 32 HH21 ARG A 5 -16.111 -3.114 3.559 1.00 0.00 H ATOM 33 H ARG A 5 -15.106 -11.292 0.294 1.00 0.00 H ATOM 34 N LEU A 6 -12.689 -8.405 1.594 1.00 10.13 N ATOM 35 CA LEU A 6 -11.467 -8.509 2.385 1.00 9.43 C ATOM 36 C LEU A 6 -11.720 -8.238 3.865 1.00 10.28 C ATOM 37 O LEU A 6 -12.379 -7.259 4.235 1.00 13.78 O ATOM 38 CB LEU A 6 -10.430 -7.509 1.877 1.00 13.02 C ATOM 39 CG LEU A 6 -9.750 -7.827 0.556 1.00 14.34 C ATOM 40 CD1 LEU A 6 -8.972 -6.598 0.103 1.00 18.89 C ATOM 41 CD2 LEU A 6 -8.815 -9.003 0.744 1.00 12.80 C ATOM 42 H LEU A 6 -12.876 -7.525 1.072 1.00 0.00 H ATOM 43 N TYR A 7 -11.162 -9.102 4.714 1.00 9.27 N ATOM 44 CA TYR A 7 -11.156 -8.920 6.156 1.00 6.54 C ATOM 45 C TYR A 7 -9.755 -9.194 6.672 1.00 8.13 C ATOM 46 O TYR A 7 -8.965 -9.889 6.035 1.00 9.51 O ATOM 47 CB TYR A 7 -12.072 -9.930 6.860 1.00 10.01 C ATOM 48 CG TYR A 7 -13.540 -9.788 6.552 1.00 9.84 C ATOM 49 CD1 TYR A 7 -14.067 -10.265 5.355 1.00 9.85 C ATOM 50 CD2 TYR A 7 -14.407 -9.210 7.473 1.00 9.16 C ATOM 51 CE1 TYR A 7 -15.418 -10.146 5.065 1.00 11.88 C ATOM 52 CE2 TYR A 7 -15.763 -9.099 7.197 1.00 13.38 C ATOM 53 CZ TYR A 7 -16.255 -9.567 5.993 1.00 13.01 C ATOM 54 OH TYR A 7 -17.608 -9.454 5.717 1.00 16.98 O ATOM 55 HH TYR A 7 -17.794 -9.834 4.822 1.00 0.00 H ATOM 56 H TYR A 7 -10.707 -9.952 4.323 1.00 0.00 H ATOM 57 N THR A 8 -9.479 -8.666 7.860 1.00 8.80 N ATOM 58 CA THR A 8 -8.253 -8.971 8.580 1.00 9.03 C ATOM 59 C THR A 8 -8.578 -9.640 9.904 1.00 9.12 C ATOM 60 O THR A 8 -9.673 -9.501 10.450 1.00 8.68 O ATOM 61 CB THR A 8 -7.428 -7.713 8.860 1.00 10.73 C ATOM 62 OG1 THR A 8 -8.196 -6.807 9.670 1.00 14.13 O ATOM 63 CG2 THR A 8 -7.010 -7.069 7.546 1.00 13.09 C ATOM 64 HG1 THR A 8 -9.025 -6.559 9.190 1.00 0.00 H ATOM 65 H THR A 8 -10.164 -8.012 8.290 1.00 0.00 H ATOM 66 N LEU A 9 -7.593 -10.374 10.422 1.00 8.31 N ATOM 67 CA LEU A 9 -7.701 -10.979 11.742 1.00 7.46 C ATOM 68 C LEU A 9 -6.313 -10.983 12.355 1.00 8.18 C ATOM 69 O LEU A 9 -5.374 -11.485 11.732 1.00 8.40 O ATOM 70 CB LEU A 9 -8.234 -12.421 11.628 1.00 7.50 C ATOM 71 CG LEU A 9 -8.392 -13.184 12.946 1.00 9.47 C ATOM 72 CD1 LEU A 9 -9.373 -12.497 13.870 1.00 12.33 C ATOM 73 CD2 LEU A 9 -8.809 -14.610 12.702 1.00 10.66 C ATOM 74 H LEU A 9 -6.724 -10.518 9.869 1.00 0.00 H ATOM 75 N VAL A 10 -6.176 -10.421 13.556 1.00 7.45 N ATOM 76 CA VAL A 10 -4.889 -10.344 14.247 1.00 7.72 C ATOM 77 C VAL A 10 -4.948 -11.156 15.530 1.00 8.90 C ATOM 78 O VAL A 10 -5.841 -10.955 16.358 1.00 8.88 O ATOM 79 CB VAL A 10 -4.500 -8.893 14.572 1.00 9.93 C ATOM 80 CG1 VAL A 10 -3.198 -8.868 15.367 1.00 9.04 C ATOM 81 CG2 VAL A 10 -4.330 -8.119 13.291 1.00 11.44 C ATOM 82 H VAL A 10 -7.017 -10.022 14.020 1.00 0.00 H ATOM 83 N LEU A 11 -3.967 -12.041 15.709 1.00 8.20 N ATOM 84 CA LEU A 11 -3.777 -12.777 16.953 1.00 8.16 C ATOM 85 C LEU A 11 -2.515 -12.277 17.646 1.00 8.33 C ATOM 86 O LEU A 11 -1.414 -12.349 17.083 1.00 9.67 O ATOM 87 CB LEU A 11 -3.664 -14.277 16.690 1.00 9.47 C ATOM 88 CG LEU A 11 -4.967 -15.040 16.455 1.00 14.34 C ATOM 89 CD1 LEU A 11 -5.988 -14.751 17.558 1.00 14.35 C ATOM 90 CD2 LEU A 11 -5.537 -14.741 15.085 1.00 21.08 C ATOM 91 H LEU A 11 -3.307 -12.214 14.925 1.00 0.00 H ATOM 92 N VAL A 12 -2.675 -11.780 18.871 1.00 8.78 N ATOM 93 CA VAL A 12 -1.546 -11.416 19.724 1.00 8.97 C ATOM 94 C VAL A 12 -1.094 -12.697 20.420 1.00 9.28 C ATOM 95 O VAL A 12 -1.744 -13.179 21.353 1.00 10.03 O ATOM 96 CB VAL A 12 -1.912 -10.321 20.729 1.00 9.92 C ATOM 97 CG1 VAL A 12 -0.695 -9.949 21.560 1.00 12.21 C ATOM 98 CG2 VAL A 12 -2.440 -9.085 20.015 1.00 11.14 C ATOM 99 H VAL A 12 -3.640 -11.646 19.234 1.00 0.00 H ATOM 100 N LEU A 13 0.006 -13.273 19.942 1.00 11.39 N ATOM 101 CA LEU A 13 0.442 -14.607 20.334 1.00 13.07 C ATOM 102 C LEU A 13 1.826 -14.469 20.944 1.00 14.68 C ATOM 103 O LEU A 13 2.790 -14.139 20.246 1.00 16.69 O ATOM 104 CB LEU A 13 0.485 -15.538 19.127 1.00 13.16 C ATOM 105 CG LEU A 13 1.009 -16.943 19.446 1.00 16.73 C ATOM 106 CD1 LEU A 13 0.186 -17.613 20.553 1.00 16.85 C ATOM 107 CD2 LEU A 13 0.998 -17.785 18.186 1.00 18.49 C ATOM 108 H LEU A 13 0.582 -12.746 19.255 1.00 0.00 H ATOM 109 N GLN A 14 1.910 -14.707 22.239 1.00 12.12 N ATOM 110 CA GLN A 14 3.127 -14.632 23.017 1.00 15.15 C ATOM 111 C GLN A 14 3.556 -16.042 23.403 1.00 12.80 C ATOM 112 O GLN A 14 2.812 -17.005 23.194 1.00 18.45 O ATOM 113 CB GLN A 14 2.854 -13.758 24.247 1.00 16.14 C ATOM 114 CG GLN A 14 2.569 -12.326 23.837 1.00 18.93 C ATOM 115 CD GLN A 14 2.397 -11.381 25.007 1.00 22.70 C ATOM 116 OE1 GLN A 14 2.136 -11.799 26.131 1.00 24.92 O ATOM 117 NE2 GLN A 14 2.539 -10.091 24.738 1.00 20.18 N ATOM 118 HE22 GLN A 14 2.760 -9.783 23.770 1.00 0.00 H ATOM 119 HE21 GLN A 14 2.429 -9.387 25.495 1.00 0.00 H ATOM 120 H GLN A 14 1.036 -14.968 22.738 1.00 0.00 H ATOM 121 N PRO A 15 4.779 -16.215 23.930 1.00 21.82 N ATOM 122 CA PRO A 15 5.308 -17.587 24.076 1.00 24.34 C ATOM 123 C PRO A 15 4.399 -18.557 24.818 1.00 25.18 C ATOM 124 O PRO A 15 4.325 -19.731 24.432 1.00 25.08 O ATOM 125 CB PRO A 15 6.655 -17.376 24.782 1.00 24.71 C ATOM 126 CG PRO A 15 7.059 -16.000 24.410 1.00 23.36 C ATOM 127 CD PRO A 15 5.783 -15.201 24.304 1.00 23.16 C ATOM 128 N GLN A 16 3.668 -18.105 25.842 1.00 23.23 N ATOM 129 CA GLN A 16 2.837 -19.017 26.617 1.00 20.58 C ATOM 130 C GLN A 16 1.377 -18.593 26.735 1.00 21.74 C ATOM 131 O GLN A 16 0.627 -19.218 27.494 1.00 23.97 O ATOM 132 CB GLN A 16 3.441 -19.280 28.005 1.00 25.93 C ATOM 133 CG GLN A 16 4.697 -20.145 27.972 1.00 36.64 C ATOM 134 CD GLN A 16 4.467 -21.502 27.311 1.00 48.59 C ATOM 135 OE1 GLN A 16 3.376 -22.070 27.387 1.00 54.19 O ATOM 136 NE2 GLN A 16 5.501 -22.024 26.658 1.00 49.37 N ATOM 137 HE22 GLN A 16 6.404 -21.510 26.619 1.00 0.00 H ATOM 138 HE21 GLN A 16 5.406 -22.946 26.186 1.00 0.00 H ATOM 139 H GLN A 16 3.693 -17.095 26.087 1.00 0.00 H ATOM 140 N ARG A 17 0.945 -17.573 25.998 1.00 16.67 N ATOM 141 CA ARG A 17 -0.429 -17.101 26.107 1.00 14.94 C ATOM 142 C ARG A 17 -0.824 -16.392 24.818 1.00 12.45 C ATOM 143 O ARG A 17 0.026 -15.873 24.085 1.00 12.87 O ATOM 144 CB ARG A 17 -0.620 -16.169 27.310 1.00 15.65 C ATOM 145 CG ARG A 17 0.152 -14.870 27.201 1.00 13.44 C ATOM 146 CD ARG A 17 -0.111 -13.925 28.361 1.00 16.72 C ATOM 147 NE ARG A 17 0.478 -12.616 28.114 1.00 17.18 N ATOM 148 CZ ARG A 17 0.362 -11.568 28.925 1.00 16.51 C ATOM 149 NH1 ARG A 17 -0.334 -11.674 30.051 1.00 19.96 N ATOM 150 NH2 ARG A 17 0.939 -10.419 28.608 1.00 23.83 N ATOM 151 HE ARG A 17 1.029 -12.492 27.241 1.00 0.00 H ATOM 152 HH12 ARG A 17 -0.425 -10.855 30.685 1.00 0.00 H ATOM 153 HH11 ARG A 17 -0.788 -12.576 30.299 1.00 0.00 H ATOM 154 HH22 ARG A 17 0.849 -9.599 29.242 1.00 0.00 H ATOM 155 HH21 ARG A 17 1.483 -10.336 27.725 1.00 0.00 H ATOM 156 H ARG A 17 1.597 -17.106 25.335 1.00 0.00 H ATOM 157 N VAL A 18 -2.136 -16.367 24.564 1.00 10.51 N ATOM 158 CA VAL A 18 -2.723 -15.701 23.402 1.00 9.79 C ATOM 159 C VAL A 18 -3.883 -14.829 23.874 1.00 11.69 C ATOM 160 O VAL A 18 -4.611 -15.197 24.802 1.00 10.23 O ATOM 161 CB VAL A 18 -3.161 -16.729 22.328 1.00 10.90 C ATOM 162 CG1 VAL A 18 -4.274 -17.635 22.849 1.00 11.72 C ATOM 163 CG2 VAL A 18 -3.579 -16.032 21.042 1.00 10.44 C ATOM 164 H VAL A 18 -2.775 -16.848 25.229 1.00 0.00 H ATOM 165 N LEU A 19 -4.023 -13.646 23.272 1.00 8.11 N ATOM 166 CA LEU A 19 -5.100 -12.728 23.612 1.00 7.53 C ATOM 167 C LEU A 19 -6.290 -12.978 22.696 1.00 7.70 C ATOM 168 O LEU A 19 -6.151 -12.975 21.470 1.00 9.00 O ATOM 169 CB LEU A 19 -4.623 -11.284 23.453 1.00 9.03 C ATOM 170 CG LEU A 19 -5.634 -10.211 23.856 1.00 7.78 C ATOM 171 CD1 LEU A 19 -5.912 -10.256 25.368 1.00 9.45 C ATOM 172 CD2 LEU A 19 -5.131 -8.847 23.457 1.00 10.06 C ATOM 173 H LEU A 19 -3.341 -13.371 22.537 1.00 0.00 H ATOM 174 N LEU A 20 -7.460 -13.174 23.287 1.00 6.70 N ATOM 175 CA LEU A 20 -8.687 -13.280 22.512 1.00 6.97 C ATOM 176 C LEU A 20 -9.706 -12.304 23.072 1.00 9.44 C ATOM 177 O LEU A 20 -9.613 -11.871 24.225 1.00 11.21 O ATOM 178 CB LEU A 20 -9.269 -14.705 22.544 1.00 8.18 C ATOM 179 CG LEU A 20 -8.336 -15.775 21.965 1.00 7.72 C ATOM 180 CD1 LEU A 20 -8.863 -17.159 22.305 1.00 8.97 C ATOM 181 CD2 LEU A 20 -8.132 -15.599 20.451 1.00 11.98 C ATOM 182 H LEU A 20 -7.502 -13.253 24.323 1.00 0.00 H ATOM 183 N GLY A 21 -10.684 -11.954 22.248 1.00 8.73 N ATOM 184 CA GLY A 21 -11.756 -11.057 22.656 1.00 7.63 C ATOM 185 C GLY A 21 -13.107 -11.697 22.422 1.00 6.92 C ATOM 186 O GLY A 21 -13.334 -12.316 21.380 1.00 9.00 O ATOM 187 H GLY A 21 -10.686 -12.332 21.279 1.00 0.00 H ATOM 188 N MET A 22 -13.984 -11.567 23.409 1.00 8.72 N ATOM 189 CA MET A 22 -15.361 -12.044 23.314 1.00 9.49 C ATOM 190 C MET A 22 -16.193 -10.927 22.700 1.00 10.38 C ATOM 191 O MET A 22 -16.357 -9.863 23.304 1.00 9.72 O ATOM 192 CB MET A 22 -15.884 -12.427 24.698 1.00 11.91 C ATOM 193 CG MET A 22 -17.377 -12.665 24.767 1.00 17.30 C ATOM 194 SD MET A 22 -17.915 -14.019 23.707 1.00 16.16 S ATOM 195 CE MET A 22 -16.991 -15.398 24.413 1.00 13.44 C ATOM 196 H MET A 22 -13.677 -11.105 24.289 1.00 0.00 H ATOM 197 N LYS A 23 -16.704 -11.156 21.491 1.00 14.48 N ATOM 198 CA LYS A 23 -17.489 -10.137 20.807 1.00 17.96 C ATOM 199 C LYS A 23 -18.891 -10.066 21.405 1.00 13.61 C ATOM 200 O LYS A 23 -19.533 -11.097 21.628 1.00 14.27 O ATOM 201 CB LYS A 23 -17.575 -10.446 19.314 1.00 19.39 C ATOM 202 CG LYS A 23 -18.201 -9.315 18.518 1.00 20.32 C ATOM 203 CD LYS A 23 -17.467 -9.078 17.210 1.00 33.13 C ATOM 204 CE LYS A 23 -18.303 -8.258 16.251 1.00 27.87 C ATOM 205 NZ LYS A 23 -18.691 -6.943 16.823 1.00 35.47 N ATOM 206 HZ1 LYS A 23 -19.248 -7.093 17.689 1.00 0.00 H ATOM 207 HZ2 LYS A 23 -17.834 -6.399 17.050 1.00 0.00 H ATOM 208 HZ3 LYS A 23 -19.262 -6.419 16.129 1.00 0.00 H ATOM 209 H LYS A 23 -16.540 -12.074 21.030 1.00 0.00 H ATOM 210 N LYS A 24 -19.357 -8.852 21.680 1.00 16.37 N ATOM 211 CA LYS A 24 -20.611 -8.714 22.408 1.00 16.56 C ATOM 212 C LYS A 24 -21.837 -8.609 21.510 1.00 18.30 C ATOM 213 O LYS A 24 -22.909 -9.093 21.891 1.00 24.42 O ATOM 214 CB LYS A 24 -20.529 -7.533 23.373 1.00 22.28 C ATOM 215 CG LYS A 24 -19.405 -7.690 24.377 1.00 27.35 C ATOM 216 CD LYS A 24 -19.462 -6.595 25.417 1.00 24.76 C ATOM 217 CE LYS A 24 -18.250 -6.620 26.324 1.00 16.73 C ATOM 218 NZ LYS A 24 -18.467 -5.594 27.389 1.00 22.02 N ATOM 219 HZ1 LYS A 24 -18.574 -4.657 26.950 1.00 0.00 H ATOM 220 HZ2 LYS A 24 -19.328 -5.828 27.924 1.00 0.00 H ATOM 221 HZ3 LYS A 24 -17.649 -5.585 28.032 1.00 0.00 H ATOM 222 H LYS A 24 -18.831 -8.008 21.378 1.00 0.00 H ATOM 223 N ARG A 25 -21.710 -8.012 20.329 1.00 18.48 N ATOM 224 CA ARG A 25 -22.847 -7.832 19.437 1.00 23.27 C ATOM 225 C ARG A 25 -22.387 -7.977 17.994 1.00 25.28 C ATOM 226 O ARG A 25 -21.190 -7.989 17.698 1.00 21.46 O ATOM 227 CB ARG A 25 -23.517 -6.465 19.649 1.00 29.61 C ATOM 228 H ARG A 25 -20.775 -7.665 20.035 1.00 0.00 H ATOM 229 N GLY A 26 -23.354 -8.091 17.087 1.00 23.74 N ATOM 230 CA GLY A 26 -23.034 -8.142 15.676 1.00 23.07 C ATOM 231 C GLY A 26 -22.586 -9.523 15.227 1.00 20.76 C ATOM 232 O GLY A 26 -22.791 -10.536 15.904 1.00 20.62 O ATOM 233 H GLY A 26 -24.346 -8.144 17.394 1.00 0.00 H ATOM 234 N PHE A 27 -21.951 -9.553 14.057 1.00 22.10 N ATOM 235 CA PHE A 27 -21.549 -10.814 13.456 1.00 24.85 C ATOM 236 C PHE A 27 -20.436 -11.458 14.270 1.00 23.87 C ATOM 237 O PHE A 27 -19.411 -10.829 14.552 1.00 26.12 O ATOM 238 CB PHE A 27 -21.076 -10.580 12.027 1.00 24.28 C ATOM 239 CG PHE A 27 -20.761 -11.838 11.285 1.00 23.72 C ATOM 240 CD1 PHE A 27 -21.776 -12.661 10.822 1.00 24.73 C ATOM 241 CD2 PHE A 27 -19.450 -12.209 11.058 1.00 21.24 C ATOM 242 CE1 PHE A 27 -21.485 -13.825 10.139 1.00 26.49 C ATOM 243 CE2 PHE A 27 -19.155 -13.374 10.376 1.00 21.01 C ATOM 244 CZ PHE A 27 -20.170 -14.181 9.913 1.00 18.54 C ATOM 245 H PHE A 27 -21.740 -8.661 13.566 1.00 0.00 H ATOM 246 N GLY A 28 -20.640 -12.716 14.645 1.00 19.12 N ATOM 247 CA GLY A 28 -19.675 -13.429 15.457 1.00 18.36 C ATOM 248 C GLY A 28 -19.835 -13.238 16.948 1.00 17.84 C ATOM 249 O GLY A 28 -19.006 -13.749 17.709 1.00 18.40 O ATOM 250 H GLY A 28 -21.512 -13.200 14.349 1.00 0.00 H ATOM 251 N ALA A 29 -20.872 -12.530 17.393 1.00 16.42 N ATOM 252 CA ALA A 29 -21.050 -12.291 18.817 1.00 14.68 C ATOM 253 C ALA A 29 -21.140 -13.612 19.573 1.00 15.50 C ATOM 254 O ALA A 29 -21.679 -14.602 19.070 1.00 16.80 O ATOM 255 CB ALA A 29 -22.324 -11.474 19.056 1.00 17.72 C ATOM 256 H ALA A 29 -21.561 -12.144 16.716 1.00 0.00 H ATOM 257 N GLY A 30 -20.603 -13.621 20.789 1.00 15.26 N ATOM 258 CA GLY A 30 -20.653 -14.788 21.639 1.00 12.89 C ATOM 259 C GLY A 30 -19.498 -15.744 21.474 1.00 10.43 C ATOM 260 O GLY A 30 -19.428 -16.737 22.206 1.00 13.64 O ATOM 261 H GLY A 30 -20.133 -12.762 21.139 1.00 0.00 H ATOM 262 N ARG A 31 -18.579 -15.468 20.562 1.00 11.16 N ATOM 263 CA ARG A 31 -17.422 -16.318 20.345 1.00 10.62 C ATOM 264 C ARG A 31 -16.151 -15.534 20.627 1.00 10.64 C ATOM 265 O ARG A 31 -16.068 -14.334 20.335 1.00 13.18 O ATOM 266 CB ARG A 31 -17.390 -16.836 18.916 1.00 10.26 C ATOM 267 CG ARG A 31 -18.289 -18.056 18.769 1.00 13.62 C ATOM 268 CD ARG A 31 -18.696 -18.383 17.340 1.00 16.51 C ATOM 269 NE ARG A 31 -19.338 -19.699 17.302 1.00 17.62 N ATOM 270 CZ ARG A 31 -19.864 -20.267 16.218 1.00 16.29 C ATOM 271 NH1 ARG A 31 -19.829 -19.646 15.056 1.00 17.05 N ATOM 272 NH2 ARG A 31 -20.415 -21.470 16.306 1.00 23.98 N ATOM 273 HE ARG A 31 -19.387 -20.233 18.193 1.00 0.00 H ATOM 274 HH12 ARG A 31 -20.242 -20.095 14.214 1.00 0.00 H ATOM 275 HH11 ARG A 31 -19.389 -18.707 14.981 1.00 0.00 H ATOM 276 HH22 ARG A 31 -20.827 -21.916 15.462 1.00 0.00 H ATOM 277 HH21 ARG A 31 -20.436 -21.967 17.219 1.00 0.00 H ATOM 278 H ARG A 31 -18.690 -14.613 19.981 1.00 0.00 H ATOM 279 N TRP A 32 -15.179 -16.216 21.225 1.00 8.76 N ATOM 280 CA TRP A 32 -13.840 -15.661 21.363 1.00 8.21 C ATOM 281 C TRP A 32 -13.190 -15.620 19.994 1.00 9.90 C ATOM 282 O TRP A 32 -13.373 -16.531 19.187 1.00 10.80 O ATOM 283 CB TRP A 32 -12.988 -16.556 22.267 1.00 8.09 C ATOM 284 CG TRP A 32 -13.471 -16.615 23.679 1.00 8.27 C ATOM 285 CD1 TRP A 32 -14.204 -17.612 24.256 1.00 11.88 C ATOM 286 CD2 TRP A 32 -13.260 -15.626 24.693 1.00 8.64 C ATOM 287 NE1 TRP A 32 -14.464 -17.303 25.575 1.00 12.67 N ATOM 288 CE2 TRP A 32 -13.893 -16.092 25.868 1.00 10.67 C ATOM 289 CE3 TRP A 32 -12.592 -14.400 24.725 1.00 8.58 C ATOM 290 CZ2 TRP A 32 -13.886 -15.360 27.061 1.00 10.72 C ATOM 291 CZ3 TRP A 32 -12.581 -13.677 25.907 1.00 11.07 C ATOM 292 CH2 TRP A 32 -13.233 -14.161 27.059 1.00 11.57 C ATOM 293 HE1 TRP A 32 -15.005 -17.893 26.239 1.00 0.00 H ATOM 294 H TRP A 32 -15.379 -17.165 21.602 1.00 0.00 H ATOM 295 N ASN A 33 -12.411 -14.571 19.743 1.00 8.01 N ATOM 296 CA ASN A 33 -11.775 -14.401 18.442 1.00 6.80 C ATOM 297 C ASN A 33 -10.585 -13.463 18.586 1.00 9.09 C ATOM 298 O ASN A 33 -10.397 -12.807 19.618 1.00 9.31 O ATOM 299 CB ASN A 33 -12.787 -13.839 17.434 1.00 8.29 C ATOM 300 CG ASN A 33 -12.451 -14.184 15.996 1.00 9.66 C ATOM 301 OD1 ASN A 33 -11.324 -14.538 15.666 1.00 10.14 O ATOM 302 ND2 ASN A 33 -13.457 -14.103 15.125 1.00 16.27 N ATOM 303 HD22 ASN A 33 -14.399 -13.798 15.445 1.00 0.00 H ATOM 304 HD21 ASN A 33 -13.300 -14.344 14.126 1.00 0.00 H ATOM 305 H ASN A 33 -12.253 -13.861 20.486 1.00 0.00 H ATOM 306 N GLY A 34 -9.780 -13.397 17.530 1.00 7.72 N ATOM 307 CA GLY A 34 -8.826 -12.316 17.413 1.00 7.54 C ATOM 308 C GLY A 34 -9.540 -11.026 17.046 1.00 7.14 C ATOM 309 O GLY A 34 -10.767 -10.911 17.095 1.00 10.16 O ATOM 310 H GLY A 34 -9.836 -14.123 16.788 1.00 0.00 H ATOM 311 N PHE A 35 -8.742 -10.036 16.665 1.00 7.72 N ATOM 312 CA PHE A 35 -9.230 -8.689 16.403 1.00 9.09 C ATOM 313 C PHE A 35 -9.135 -8.382 14.915 1.00 8.25 C ATOM 314 O PHE A 35 -8.088 -8.575 14.303 1.00 8.55 O ATOM 315 CB PHE A 35 -8.466 -7.683 17.264 1.00 10.52 C ATOM 316 CG PHE A 35 -8.515 -8.026 18.732 1.00 8.91 C ATOM 317 CD1 PHE A 35 -9.659 -7.802 19.466 1.00 10.00 C ATOM 318 CD2 PHE A 35 -7.436 -8.647 19.345 1.00 9.87 C ATOM 319 CE1 PHE A 35 -9.725 -8.153 20.811 1.00 10.97 C ATOM 320 CE2 PHE A 35 -7.491 -9.005 20.697 1.00 12.38 C ATOM 321 CZ PHE A 35 -8.633 -8.749 21.427 1.00 12.36 C ATOM 322 H PHE A 35 -7.727 -10.230 16.549 1.00 0.00 H ATOM 323 N GLY A 36 -10.233 -7.944 14.319 1.00 9.95 N ATOM 324 CA GLY A 36 -10.196 -7.738 12.885 1.00 12.00 C ATOM 325 C GLY A 36 -11.493 -7.167 12.373 1.00 11.05 C ATOM 326 O GLY A 36 -12.387 -6.812 13.140 1.00 12.77 O ATOM 327 H GLY A 36 -11.098 -7.753 14.864 1.00 0.00 H ATOM 328 N GLY A 37 -11.581 -7.101 11.052 1.00 11.44 N ATOM 329 CA GLY A 37 -12.766 -6.552 10.422 1.00 9.59 C ATOM 330 C GLY A 37 -12.479 -6.213 8.971 1.00 11.21 C ATOM 331 O GLY A 37 -11.496 -6.667 8.397 1.00 8.32 O ATOM 332 H GLY A 37 -10.795 -7.445 10.464 1.00 0.00 H ATOM 333 N LYS A 38 -13.369 -5.407 8.400 1.00 10.65 N ATOM 334 CA LYS A 38 -13.325 -5.140 6.972 1.00 11.79 C ATOM 335 C LYS A 38 -12.197 -4.173 6.646 1.00 12.03 C ATOM 336 O LYS A 38 -11.917 -3.255 7.411 1.00 14.12 O ATOM 337 CB LYS A 38 -14.665 -4.558 6.520 1.00 10.63 C ATOM 338 CG LYS A 38 -15.802 -5.580 6.533 1.00 14.21 C ATOM 339 CD LYS A 38 -17.169 -4.918 6.401 1.00 26.40 C ATOM 340 CE LYS A 38 -18.287 -5.954 6.483 1.00 28.67 C ATOM 341 NZ LYS A 38 -19.637 -5.333 6.622 1.00 32.01 N ATOM 342 HZ1 LYS A 38 -19.667 -4.761 7.490 1.00 0.00 H ATOM 343 HZ2 LYS A 38 -19.824 -4.725 5.799 1.00 0.00 H ATOM 344 HZ3 LYS A 38 -20.358 -6.081 6.673 1.00 0.00 H ATOM 345 H LYS A 38 -14.106 -4.962 8.983 1.00 0.00 H ATOM 346 N VAL A 39 -11.530 -4.406 5.510 1.00 13.18 N ATOM 347 CA VAL A 39 -10.487 -3.502 5.028 1.00 12.96 C ATOM 348 C VAL A 39 -11.145 -2.360 4.264 1.00 12.43 C ATOM 349 O VAL A 39 -12.137 -2.560 3.554 1.00 14.80 O ATOM 350 CB VAL A 39 -9.492 -4.270 4.138 1.00 13.82 C ATOM 351 CG1 VAL A 39 -8.409 -3.347 3.584 1.00 12.16 C ATOM 352 CG2 VAL A 39 -8.842 -5.405 4.909 1.00 14.15 C ATOM 353 H VAL A 39 -11.760 -5.254 4.954 1.00 0.00 H ATOM 354 N GLN A 40 -10.595 -1.162 4.403 1.00 14.22 N ATOM 355 CA GLN A 40 -11.230 0.025 3.856 1.00 16.44 C ATOM 356 C GLN A 40 -10.638 0.420 2.504 1.00 12.52 C ATOM 357 O GLN A 40 -9.593 -0.066 2.076 1.00 12.64 O ATOM 358 CB GLN A 40 -11.155 1.165 4.868 1.00 15.58 C ATOM 359 CG GLN A 40 -12.033 0.865 6.080 1.00 18.26 C ATOM 360 CD GLN A 40 -11.867 1.857 7.216 1.00 21.72 C ATOM 361 OE1 GLN A 40 -11.208 2.892 7.074 1.00 29.68 O ATOM 362 NE2 GLN A 40 -12.482 1.548 8.353 1.00 26.79 N ATOM 363 HE22 GLN A 40 -13.026 0.665 8.426 1.00 0.00 H ATOM 364 HE21 GLN A 40 -12.419 2.189 9.169 1.00 0.00 H ATOM 365 H GLN A 40 -9.693 -1.070 4.913 1.00 0.00 H ATOM 366 N GLU A 41 -11.356 1.308 1.816 1.00 13.30 N ATOM 367 CA GLU A 41 -10.894 1.831 0.536 1.00 15.21 C ATOM 368 C GLU A 41 -9.606 2.622 0.725 1.00 13.76 C ATOM 369 O GLU A 41 -9.494 3.437 1.644 1.00 14.65 O ATOM 370 CB GLU A 41 -11.981 2.743 -0.050 1.00 14.37 C ATOM 371 CG GLU A 41 -13.256 1.997 -0.428 1.00 15.43 C ATOM 372 CD GLU A 41 -14.520 2.826 -0.280 1.00 25.71 C ATOM 373 OE1 GLU A 41 -14.467 3.933 0.307 1.00 26.95 O ATOM 374 OE2 GLU A 41 -15.583 2.353 -0.740 1.00 33.60 O ATOM 375 H GLU A 41 -12.265 1.635 2.201 1.00 0.00 H ATOM 376 N GLY A 42 -8.622 2.360 -0.136 1.00 15.16 N ATOM 377 CA GLY A 42 -7.367 3.082 -0.074 1.00 13.68 C ATOM 378 C GLY A 42 -6.440 2.676 1.047 1.00 14.36 C ATOM 379 O GLY A 42 -5.443 3.359 1.290 1.00 15.88 O ATOM 380 H GLY A 42 -8.757 1.628 -0.862 1.00 0.00 H ATOM 381 N GLU A 43 -6.731 1.573 1.716 1.00 14.49 N ATOM 382 CA GLU A 43 -5.964 1.078 2.842 1.00 16.66 C ATOM 383 C GLU A 43 -5.345 -0.247 2.430 1.00 12.62 C ATOM 384 O GLU A 43 -6.017 -1.075 1.816 1.00 15.49 O ATOM 385 CB GLU A 43 -6.946 0.824 3.986 1.00 18.56 C ATOM 386 CG GLU A 43 -6.362 0.320 5.266 1.00 28.60 C ATOM 387 CD GLU A 43 -7.411 0.212 6.350 1.00 11.26 C ATOM 388 OE1 GLU A 43 -8.400 -0.561 6.181 1.00 13.27 O ATOM 389 OE2 GLU A 43 -7.238 0.881 7.385 1.00 18.28 O ATOM 390 H GLU A 43 -7.563 1.026 1.415 1.00 0.00 H ATOM 391 N THR A 44 -4.064 -0.446 2.751 1.00 16.91 N ATOM 392 CA THR A 44 -3.494 -1.776 2.578 1.00 16.39 C ATOM 393 C THR A 44 -4.097 -2.730 3.600 1.00 12.07 C ATOM 394 O THR A 44 -4.607 -2.326 4.645 1.00 13.77 O ATOM 395 CB THR A 44 -1.976 -1.779 2.774 1.00 14.68 C ATOM 396 OG1 THR A 44 -1.666 -1.479 4.136 1.00 18.14 O ATOM 397 CG2 THR A 44 -1.316 -0.750 1.873 1.00 20.67 C ATOM 398 HG1 THR A 44 -0.684 -1.482 4.258 1.00 0.00 H ATOM 399 H THR A 44 -3.483 0.335 3.118 1.00 0.00 H ATOM 400 N ILE A 45 -4.018 -4.019 3.279 1.00 12.53 N ATOM 401 CA ILE A 45 -4.528 -5.038 4.194 1.00 12.88 C ATOM 402 C ILE A 45 -3.809 -4.968 5.535 1.00 11.87 C ATOM 403 O ILE A 45 -4.444 -5.016 6.598 1.00 13.53 O ATOM 404 CB ILE A 45 -4.427 -6.422 3.540 1.00 12.97 C ATOM 405 CG1 ILE A 45 -5.347 -6.480 2.323 1.00 14.83 C ATOM 406 CG2 ILE A 45 -4.785 -7.507 4.556 1.00 16.58 C ATOM 407 CD1 ILE A 45 -5.140 -7.685 1.437 1.00 17.12 C ATOM 408 H ILE A 45 -3.592 -4.302 2.374 1.00 0.00 H ATOM 409 N GLU A 46 -2.478 -4.821 5.512 1.00 12.80 N ATOM 410 CA GLU A 46 -1.739 -4.750 6.769 1.00 13.46 C ATOM 411 C GLU A 46 -2.106 -3.508 7.571 1.00 13.22 C ATOM 412 O GLU A 46 -2.241 -3.573 8.801 1.00 14.60 O ATOM 413 CB GLU A 46 -0.230 -4.817 6.534 1.00 17.82 C ATOM 414 CG GLU A 46 0.559 -4.775 7.839 1.00 20.41 C ATOM 415 CD GLU A 46 2.065 -4.818 7.644 1.00 33.89 C ATOM 416 OE1 GLU A 46 2.521 -5.203 6.547 1.00 40.71 O ATOM 417 OE2 GLU A 46 2.794 -4.466 8.596 1.00 40.58 O ATOM 418 H GLU A 46 -1.974 -4.758 4.604 1.00 0.00 H ATOM 419 N ASP A 47 -2.275 -2.361 6.899 1.00 12.25 N ATOM 420 CA ASP A 47 -2.719 -1.177 7.626 1.00 15.61 C ATOM 421 C ASP A 47 -4.104 -1.388 8.228 1.00 10.08 C ATOM 422 O ASP A 47 -4.377 -0.947 9.353 1.00 14.31 O ATOM 423 CB ASP A 47 -2.714 0.065 6.729 1.00 16.43 C ATOM 424 CG ASP A 47 -1.312 0.536 6.382 1.00 22.56 C ATOM 425 OD1 ASP A 47 -0.365 0.261 7.150 1.00 25.69 O ATOM 426 OD2 ASP A 47 -1.170 1.193 5.336 1.00 32.28 O ATOM 427 H ASP A 47 -2.093 -2.316 5.876 1.00 0.00 H ATOM 428 N GLY A 48 -4.998 -2.050 7.486 1.00 11.57 N ATOM 429 CA GLY A 48 -6.306 -2.378 8.036 1.00 14.35 C ATOM 430 C GLY A 48 -6.225 -3.289 9.246 1.00 11.19 C ATOM 431 O GLY A 48 -6.968 -3.111 10.215 1.00 12.02 O ATOM 432 H GLY A 48 -4.759 -2.331 6.514 1.00 0.00 H ATOM 433 N ALA A 49 -5.323 -4.274 9.202 1.00 11.26 N ATOM 434 CA ALA A 49 -5.142 -5.170 10.339 1.00 12.66 C ATOM 435 C ALA A 49 -4.696 -4.397 11.568 1.00 12.68 C ATOM 436 O ALA A 49 -5.226 -4.586 12.668 1.00 12.24 O ATOM 437 CB ALA A 49 -4.130 -6.252 9.976 1.00 12.91 C ATOM 438 H ALA A 49 -4.744 -4.403 8.348 1.00 0.00 H ATOM 439 N ARG A 50 -3.720 -3.504 11.394 1.00 10.68 N ATOM 440 CA ARG A 50 -3.243 -2.703 12.513 1.00 12.87 C ATOM 441 C ARG A 50 -4.342 -1.791 13.051 1.00 9.84 C ATOM 442 O ARG A 50 -4.508 -1.654 14.269 1.00 12.92 O ATOM 443 CB ARG A 50 -2.033 -1.890 12.054 1.00 15.70 C ATOM 444 CG ARG A 50 -1.406 -1.028 13.128 1.00 19.67 C ATOM 445 CD ARG A 50 -0.112 -0.410 12.621 1.00 20.08 C ATOM 446 NE ARG A 50 0.804 -1.420 12.104 1.00 20.17 N ATOM 447 CZ ARG A 50 1.120 -1.566 10.821 1.00 18.88 C ATOM 448 NH1 ARG A 50 0.589 -0.765 9.906 1.00 25.67 N ATOM 449 NH2 ARG A 50 1.963 -2.520 10.453 1.00 26.56 N ATOM 450 HE ARG A 50 1.241 -2.072 12.787 1.00 0.00 H ATOM 451 HH12 ARG A 50 0.839 -0.883 8.903 1.00 0.00 H ATOM 452 HH11 ARG A 50 -0.077 -0.019 10.191 1.00 0.00 H ATOM 453 HH22 ARG A 50 2.211 -2.636 9.450 1.00 0.00 H ATOM 454 HH21 ARG A 50 2.376 -3.153 11.167 1.00 0.00 H ATOM 455 H ARG A 50 -3.297 -3.379 10.452 1.00 0.00 H ATOM 456 N ARG A 51 -5.108 -1.159 12.154 1.00 11.41 N ATOM 457 CA ARG A 51 -6.177 -0.261 12.590 1.00 14.57 C ATOM 458 C ARG A 51 -7.237 -1.012 13.388 1.00 13.84 C ATOM 459 O ARG A 51 -7.664 -0.558 14.459 1.00 16.52 O ATOM 460 CB ARG A 51 -6.803 0.441 11.379 1.00 15.70 C ATOM 461 CG ARG A 51 -8.076 1.214 11.717 1.00 13.43 C ATOM 462 CD ARG A 51 -8.756 1.789 10.461 1.00 16.82 C ATOM 463 NE ARG A 51 -8.972 0.762 9.443 1.00 17.68 N ATOM 464 CZ ARG A 51 -9.958 -0.130 9.486 1.00 15.39 C ATOM 465 NH1 ARG A 51 -10.819 -0.120 10.494 1.00 17.14 N ATOM 466 NH2 ARG A 51 -10.077 -1.041 8.524 1.00 12.32 N ATOM 467 HE ARG A 51 -8.316 0.727 8.637 1.00 0.00 H ATOM 468 HH12 ARG A 51 -11.589 -0.818 10.527 1.00 0.00 H ATOM 469 HH11 ARG A 51 -10.724 0.586 11.252 1.00 0.00 H ATOM 470 HH22 ARG A 51 -10.849 -1.737 8.560 1.00 0.00 H ATOM 471 HH21 ARG A 51 -9.398 -1.057 7.736 1.00 0.00 H ATOM 472 H ARG A 51 -4.942 -1.308 11.138 1.00 0.00 H ATOM 473 N GLU A 52 -7.655 -2.183 12.888 1.00 15.12 N ATOM 474 CA GLU A 52 -8.660 -2.981 13.584 1.00 18.35 C ATOM 475 C GLU A 52 -8.170 -3.445 14.954 1.00 14.44 C ATOM 476 O GLU A 52 -8.946 -3.486 15.916 1.00 13.79 O ATOM 477 CB GLU A 52 -9.064 -4.178 12.721 1.00 16.16 C ATOM 478 CG GLU A 52 -9.795 -3.814 11.423 1.00 22.47 C ATOM 479 CD GLU A 52 -11.251 -3.432 11.635 1.00 33.60 C ATOM 480 OE1 GLU A 52 -11.889 -2.956 10.668 1.00 30.60 O ATOM 481 OE2 GLU A 52 -11.766 -3.613 12.757 1.00 27.11 O ATOM 482 H GLU A 52 -7.258 -2.528 11.991 1.00 0.00 H ATOM 483 N LEU A 53 -6.892 -3.820 15.070 1.00 12.50 N ATOM 484 CA LEU A 53 -6.384 -4.189 16.387 1.00 12.94 C ATOM 485 C LEU A 53 -6.566 -3.048 17.383 1.00 13.62 C ATOM 486 O LEU A 53 -7.014 -3.267 18.513 1.00 16.87 O ATOM 487 CB LEU A 53 -4.917 -4.607 16.309 1.00 15.07 C ATOM 488 CG LEU A 53 -4.315 -5.046 17.644 1.00 14.73 C ATOM 489 CD1 LEU A 53 -4.901 -6.364 18.126 1.00 16.64 C ATOM 490 CD2 LEU A 53 -2.824 -5.151 17.524 1.00 16.58 C ATOM 491 H LEU A 53 -6.271 -3.848 14.236 1.00 0.00 H ATOM 492 N GLN A 54 -6.251 -1.817 16.970 1.00 15.13 N ATOM 493 CA GLN A 54 -6.414 -0.678 17.873 1.00 15.54 C ATOM 494 C GLN A 54 -7.885 -0.418 18.184 1.00 16.55 C ATOM 495 O GLN A 54 -8.273 -0.333 19.355 1.00 23.90 O ATOM 496 CB GLN A 54 -5.764 0.568 17.270 1.00 22.39 C ATOM 497 CG GLN A 54 -6.253 1.870 17.899 1.00 32.96 C ATOM 498 CD GLN A 54 -5.920 1.965 19.376 1.00 27.79 C ATOM 499 OE1 GLN A 54 -4.760 1.816 19.779 1.00 29.48 O ATOM 500 NE2 GLN A 54 -6.941 2.208 20.196 1.00 24.15 N ATOM 501 HE22 GLN A 54 -7.900 2.326 19.811 1.00 0.00 H ATOM 502 HE21 GLN A 54 -6.779 2.279 21.221 1.00 0.00 H ATOM 503 H GLN A 54 -5.890 -1.669 16.006 1.00 0.00 H ATOM 504 N GLU A 55 -8.719 -0.294 17.146 1.00 19.27 N ATOM 505 CA GLU A 55 -10.143 -0.040 17.358 1.00 22.39 C ATOM 506 C GLU A 55 -10.747 -1.038 18.336 1.00 23.81 C ATOM 507 O GLU A 55 -11.504 -0.659 19.234 1.00 23.16 O ATOM 508 CB GLU A 55 -10.895 -0.098 16.026 1.00 21.00 C ATOM 509 CG GLU A 55 -10.496 0.964 15.017 1.00 23.04 C ATOM 510 CD GLU A 55 -11.428 1.015 13.818 1.00 30.85 C ATOM 511 OE1 GLU A 55 -12.480 0.340 13.854 1.00 35.20 O ATOM 512 OE2 GLU A 55 -11.111 1.733 12.844 1.00 23.73 O ATOM 513 H GLU A 55 -8.350 -0.379 16.177 1.00 0.00 H ATOM 514 N GLU A 56 -10.403 -2.316 18.199 1.00 16.60 N ATOM 515 CA GLU A 56 -11.130 -3.346 18.926 1.00 15.93 C ATOM 516 C GLU A 56 -10.498 -3.723 20.254 1.00 15.83 C ATOM 517 O GLU A 56 -11.212 -4.184 21.149 1.00 22.57 O ATOM 518 CB GLU A 56 -11.269 -4.589 18.053 1.00 17.25 C ATOM 519 CG GLU A 56 -12.018 -4.311 16.782 1.00 20.50 C ATOM 520 CD GLU A 56 -12.408 -5.566 16.071 1.00 32.48 C ATOM 521 OE1 GLU A 56 -11.820 -6.626 16.383 1.00 19.83 O ATOM 522 OE2 GLU A 56 -13.313 -5.494 15.216 1.00 36.02 O ATOM 523 H GLU A 56 -9.615 -2.579 17.573 1.00 0.00 H ATOM 524 N SER A 57 -9.182 -3.565 20.402 1.00 15.49 N ATOM 525 CA SER A 57 -8.488 -4.017 21.596 1.00 16.97 C ATOM 526 C SER A 57 -7.792 -2.913 22.373 1.00 17.00 C ATOM 527 O SER A 57 -7.435 -3.136 23.535 1.00 19.54 O ATOM 528 CB SER A 57 -7.443 -5.087 21.242 1.00 16.41 C ATOM 529 OG SER A 57 -6.300 -4.494 20.668 1.00 16.36 O ATOM 530 HG SER A 57 -6.559 -4.012 19.843 1.00 0.00 H ATOM 531 H SER A 57 -8.638 -3.106 19.643 1.00 0.00 H ATOM 532 N GLY A 58 -7.590 -1.745 21.777 1.00 16.07 N ATOM 533 CA GLY A 58 -6.844 -0.687 22.422 1.00 17.68 C ATOM 534 C GLY A 58 -5.346 -0.815 22.306 1.00 22.73 C ATOM 535 O GLY A 58 -4.628 0.022 22.862 1.00 22.02 O ATOM 536 H GLY A 58 -7.977 -1.587 20.825 1.00 0.00 H ATOM 537 N LEU A 59 -4.850 -1.821 21.597 1.00 16.52 N ATOM 538 CA LEU A 59 -3.425 -2.110 21.538 1.00 17.23 C ATOM 539 C LEU A 59 -2.797 -1.543 20.272 1.00 16.13 C ATOM 540 O LEU A 59 -3.418 -1.497 19.204 1.00 18.30 O ATOM 541 CB LEU A 59 -3.175 -3.620 21.581 1.00 16.51 C ATOM 542 CG LEU A 59 -3.714 -4.342 22.811 1.00 16.93 C ATOM 543 CD1 LEU A 59 -3.469 -5.826 22.669 1.00 18.56 C ATOM 544 CD2 LEU A 59 -3.045 -3.809 24.058 1.00 18.60 C ATOM 545 H LEU A 59 -5.505 -2.427 21.063 1.00 0.00 H ATOM 546 N THR A 60 -1.539 -1.142 20.402 1.00 16.35 N ATOM 547 CA THR A 60 -0.716 -0.700 19.287 1.00 16.93 C ATOM 548 C THR A 60 0.303 -1.792 18.982 1.00 17.30 C ATOM 549 O THR A 60 0.983 -2.276 19.891 1.00 15.91 O ATOM 550 CB THR A 60 -0.010 0.605 19.657 1.00 17.98 C ATOM 551 OG1 THR A 60 -0.996 1.601 19.974 1.00 17.76 O ATOM 552 CG2 THR A 60 0.842 1.088 18.504 1.00 19.17 C ATOM 553 HG1 THR A 60 -0.543 2.448 20.214 1.00 0.00 H ATOM 554 H THR A 60 -1.118 -1.144 21.353 1.00 0.00 H ATOM 555 N VAL A 61 0.398 -2.188 17.712 1.00 22.28 N ATOM 556 CA VAL A 61 1.237 -3.311 17.302 1.00 23.82 C ATOM 557 C VAL A 61 2.484 -2.818 16.577 1.00 36.84 C ATOM 558 O VAL A 61 2.427 -1.860 15.797 1.00 37.53 O ATOM 559 CB VAL A 61 0.457 -4.351 16.469 1.00 22.53 C ATOM 560 CG1 VAL A 61 -0.271 -3.695 15.310 1.00 26.19 C ATOM 561 CG2 VAL A 61 1.388 -5.429 15.961 1.00 25.49 C ATOM 562 H VAL A 61 -0.146 -1.678 16.987 1.00 0.00 H ATOM 563 N ASP A 62 3.609 -3.487 16.836 1.00 35.44 N ATOM 564 CA ASP A 62 4.909 -3.197 16.233 1.00 42.12 C ATOM 565 C ASP A 62 5.244 -4.332 15.265 1.00 38.84 C ATOM 566 O ASP A 62 5.782 -5.365 15.667 1.00 51.76 O ATOM 567 CB ASP A 62 5.963 -3.089 17.332 1.00 45.99 C ATOM 568 H ASP A 62 3.557 -4.272 17.516 1.00 0.00 H ATOM 569 N ALA A 63 4.930 -4.127 13.981 1.00 35.72 N ATOM 570 CA ALA A 63 5.179 -5.103 12.916 1.00 44.40 C ATOM 571 C ALA A 63 4.267 -6.325 13.014 1.00 23.02 C ATOM 572 O ALA A 63 4.238 -7.021 14.031 1.00 25.21 O ATOM 573 CB ALA A 63 6.659 -5.494 12.813 1.00 44.25 C ATOM 574 H ALA A 63 4.484 -3.224 13.724 1.00 0.00 H ATOM 575 N LEU A 64 3.505 -6.574 11.958 1.00 22.85 N ATOM 576 CA LEU A 64 2.611 -7.717 11.884 1.00 16.22 C ATOM 577 C LEU A 64 3.211 -8.748 10.947 1.00 14.56 C ATOM 578 O LEU A 64 3.811 -8.394 9.928 1.00 21.88 O ATOM 579 CB LEU A 64 1.240 -7.304 11.348 1.00 16.15 C ATOM 580 CG LEU A 64 0.349 -6.544 12.323 1.00 17.51 C ATOM 581 CD1 LEU A 64 -0.840 -5.938 11.595 1.00 22.57 C ATOM 582 CD2 LEU A 64 -0.099 -7.470 13.439 1.00 17.25 C ATOM 583 H LEU A 64 3.549 -5.923 11.148 1.00 0.00 H ATOM 584 N HIS A 65 3.047 -10.021 11.287 1.00 9.83 N ATOM 585 CA HIS A 65 3.518 -11.116 10.450 1.00 10.06 C ATOM 586 C HIS A 65 2.340 -11.822 9.797 1.00 10.57 C ATOM 587 O HIS A 65 1.390 -12.224 10.481 1.00 10.31 O ATOM 588 CB HIS A 65 4.331 -12.112 11.278 1.00 13.83 C ATOM 589 CG HIS A 65 5.539 -11.498 11.906 1.00 20.85 C ATOM 590 ND1 HIS A 65 6.692 -11.239 11.197 1.00 27.44 N ATOM 591 CD2 HIS A 65 5.766 -11.063 13.169 1.00 22.11 C ATOM 592 CE1 HIS A 65 7.583 -10.684 12.000 1.00 32.41 C ATOM 593 NE2 HIS A 65 7.046 -10.565 13.201 1.00 27.20 N ATOM 594 H HIS A 65 2.566 -10.244 12.182 1.00 0.00 H ATOM 595 N LYS A 66 2.418 -12.000 8.482 1.00 10.43 N ATOM 596 CA LYS A 66 1.384 -12.742 7.776 1.00 9.74 C ATOM 597 C LYS A 66 1.482 -14.204 8.167 1.00 10.38 C ATOM 598 O LYS A 66 2.563 -14.801 8.123 1.00 15.15 O ATOM 599 CB LYS A 66 1.598 -12.602 6.268 1.00 14.84 C ATOM 600 CG LYS A 66 1.300 -11.217 5.736 1.00 16.60 C ATOM 601 CD LYS A 66 1.665 -11.079 4.262 1.00 19.35 C ATOM 602 CE LYS A 66 3.172 -11.060 4.063 1.00 27.26 C ATOM 603 NZ LYS A 66 3.532 -10.681 2.667 1.00 40.58 N ATOM 604 HZ1 LYS A 66 3.120 -11.369 2.005 1.00 0.00 H ATOM 605 HZ2 LYS A 66 3.159 -9.733 2.460 1.00 0.00 H ATOM 606 HZ3 LYS A 66 4.567 -10.678 2.566 1.00 0.00 H ATOM 607 H LYS A 66 3.223 -11.606 7.954 1.00 0.00 H ATOM 608 N VAL A 67 0.364 -14.786 8.587 1.00 8.59 N ATOM 609 CA VAL A 67 0.358 -16.196 8.933 1.00 8.70 C ATOM 610 C VAL A 67 -0.632 -17.021 8.126 1.00 9.59 C ATOM 611 O VAL A 67 -0.409 -18.231 7.969 1.00 9.72 O ATOM 612 CB VAL A 67 0.193 -16.444 10.448 1.00 15.03 C ATOM 613 CG1 VAL A 67 1.357 -15.821 11.201 1.00 20.19 C ATOM 614 CG2 VAL A 67 -1.118 -15.900 10.939 1.00 14.13 C ATOM 615 H VAL A 67 -0.511 -14.229 8.668 1.00 0.00 H ATOM 616 N GLY A 68 -1.701 -16.444 7.587 1.00 8.26 N ATOM 617 CA GLY A 68 -2.590 -17.283 6.809 1.00 9.87 C ATOM 618 C GLY A 68 -3.594 -16.489 6.008 1.00 6.53 C ATOM 619 O GLY A 68 -3.740 -15.272 6.150 1.00 8.38 O ATOM 620 H GLY A 68 -1.892 -15.430 7.718 1.00 0.00 H ATOM 621 N GLN A 69 -4.308 -17.219 5.168 1.00 7.70 N ATOM 622 CA GLN A 69 -5.451 -16.680 4.456 1.00 9.99 C ATOM 623 C GLN A 69 -6.525 -17.744 4.543 1.00 8.34 C ATOM 624 O GLN A 69 -6.249 -18.912 4.265 1.00 10.09 O ATOM 625 CB GLN A 69 -5.091 -16.417 2.995 1.00 13.01 C ATOM 626 CG GLN A 69 -6.239 -15.856 2.175 1.00 15.43 C ATOM 627 CD GLN A 69 -5.878 -15.697 0.707 1.00 17.99 C ATOM 628 OE1 GLN A 69 -5.013 -16.412 0.182 1.00 25.34 O ATOM 629 NE2 GLN A 69 -6.552 -14.774 0.029 1.00 19.62 N ATOM 630 HE22 GLN A 69 -7.270 -14.196 0.511 1.00 0.00 H ATOM 631 HE21 GLN A 69 -6.361 -14.630 -0.983 1.00 0.00 H ATOM 632 H GLN A 69 -4.041 -18.212 5.013 1.00 0.00 H ATOM 633 N ILE A 70 -7.730 -17.355 4.952 1.00 7.80 N ATOM 634 CA ILE A 70 -8.853 -18.279 5.019 1.00 9.17 C ATOM 635 C ILE A 70 -10.001 -17.653 4.258 1.00 9.24 C ATOM 636 O ILE A 70 -10.385 -16.514 4.545 1.00 9.68 O ATOM 637 CB ILE A 70 -9.314 -18.569 6.459 1.00 10.44 C ATOM 638 CG1 ILE A 70 -8.130 -18.872 7.373 1.00 11.27 C ATOM 639 CG2 ILE A 70 -10.315 -19.736 6.453 1.00 12.96 C ATOM 640 CD1 ILE A 70 -8.498 -18.912 8.843 1.00 13.19 C ATOM 641 H ILE A 70 -7.874 -16.364 5.231 1.00 0.00 H ATOM 642 N VAL A 71 -10.559 -18.396 3.306 1.00 8.07 N ATOM 643 CA VAL A 71 -11.746 -17.972 2.576 1.00 8.02 C ATOM 644 C VAL A 71 -12.943 -18.702 3.163 1.00 8.94 C ATOM 645 O VAL A 71 -12.934 -19.937 3.264 1.00 9.57 O ATOM 646 CB VAL A 71 -11.609 -18.284 1.080 1.00 10.30 C ATOM 647 CG1 VAL A 71 -12.919 -17.964 0.363 1.00 11.97 C ATOM 648 CG2 VAL A 71 -10.465 -17.498 0.491 1.00 11.80 C ATOM 649 H VAL A 71 -10.131 -19.315 3.074 1.00 0.00 H ATOM 650 N PHE A 72 -13.966 -17.953 3.566 1.00 8.18 N ATOM 651 CA PHE A 72 -15.191 -18.528 4.104 1.00 6.83 C ATOM 652 C PHE A 72 -16.325 -18.356 3.106 1.00 8.84 C ATOM 653 O PHE A 72 -16.568 -17.254 2.608 1.00 8.98 O ATOM 654 CB PHE A 72 -15.577 -17.854 5.423 1.00 8.98 C ATOM 655 CG PHE A 72 -14.592 -18.100 6.533 1.00 7.29 C ATOM 656 CD1 PHE A 72 -14.509 -19.345 7.133 1.00 9.54 C ATOM 657 CD2 PHE A 72 -13.757 -17.088 6.970 1.00 8.88 C ATOM 658 CE1 PHE A 72 -13.591 -19.576 8.139 1.00 8.28 C ATOM 659 CE2 PHE A 72 -12.841 -17.317 7.976 1.00 9.27 C ATOM 660 CZ PHE A 72 -12.762 -18.559 8.569 1.00 8.44 C ATOM 661 H PHE A 72 -13.888 -16.918 3.494 1.00 0.00 H ATOM 662 N GLU A 73 -17.023 -19.446 2.840 1.00 8.40 N ATOM 663 CA GLU A 73 -18.279 -19.424 2.111 1.00 8.68 C ATOM 664 C GLU A 73 -19.387 -19.769 3.094 1.00 8.72 C ATOM 665 O GLU A 73 -19.277 -20.756 3.831 1.00 10.58 O ATOM 666 CB GLU A 73 -18.264 -20.462 0.987 1.00 9.63 C ATOM 667 CG GLU A 73 -19.612 -20.507 0.283 1.00 9.19 C ATOM 668 CD GLU A 73 -19.773 -21.672 -0.658 1.00 16.57 C ATOM 669 OE1 GLU A 73 -18.781 -22.353 -0.981 1.00 22.40 O ATOM 670 OE2 GLU A 73 -20.919 -21.870 -1.092 1.00 18.05 O ATOM 671 H GLU A 73 -16.656 -20.362 3.168 1.00 0.00 H ATOM 672 N PHE A 74 -20.441 -18.957 3.120 1.00 9.14 N ATOM 673 CA PHE A 74 -21.676 -19.304 3.813 1.00 7.86 C ATOM 674 C PHE A 74 -22.716 -19.606 2.745 1.00 9.22 C ATOM 675 O PHE A 74 -23.044 -18.730 1.936 1.00 11.03 O ATOM 676 CB PHE A 74 -22.123 -18.170 4.741 1.00 10.59 C ATOM 677 CG PHE A 74 -21.221 -17.985 5.923 1.00 7.77 C ATOM 678 CD1 PHE A 74 -21.430 -18.699 7.080 1.00 11.26 C ATOM 679 CD2 PHE A 74 -20.120 -17.152 5.841 1.00 11.46 C ATOM 680 CE1 PHE A 74 -20.574 -18.558 8.166 1.00 11.19 C ATOM 681 CE2 PHE A 74 -19.260 -17.008 6.921 1.00 11.65 C ATOM 682 CZ PHE A 74 -19.488 -17.716 8.078 1.00 11.73 C ATOM 683 H PHE A 74 -20.382 -18.042 2.629 1.00 0.00 H ATOM 684 N VAL A 75 -23.196 -20.856 2.704 1.00 10.66 N ATOM 685 CA VAL A 75 -24.139 -21.227 1.651 1.00 9.06 C ATOM 686 C VAL A 75 -25.334 -20.283 1.677 1.00 11.66 C ATOM 687 O VAL A 75 -25.845 -19.919 2.742 1.00 12.39 O ATOM 688 CB VAL A 75 -24.556 -22.703 1.762 1.00 12.10 C ATOM 689 CG1 VAL A 75 -23.373 -23.603 1.479 1.00 15.89 C ATOM 690 CG2 VAL A 75 -25.126 -23.010 3.129 1.00 18.71 C ATOM 691 H VAL A 75 -22.900 -21.556 3.415 1.00 0.00 H ATOM 692 N GLY A 76 -25.747 -19.842 0.494 1.00 14.42 N ATOM 693 CA GLY A 76 -26.841 -18.902 0.379 1.00 13.65 C ATOM 694 C GLY A 76 -26.465 -17.442 0.501 1.00 17.40 C ATOM 695 O GLY A 76 -27.355 -16.583 0.387 1.00 18.20 O ATOM 696 H GLY A 76 -25.274 -20.180 -0.368 1.00 0.00 H ATOM 697 N GLU A 77 -25.188 -17.130 0.746 1.00 12.31 N ATOM 698 CA GLU A 77 -24.688 -15.762 0.760 1.00 13.36 C ATOM 699 C GLU A 77 -23.726 -15.560 -0.396 1.00 13.37 C ATOM 700 O GLU A 77 -22.788 -16.351 -0.572 1.00 12.91 O ATOM 701 CB GLU A 77 -23.965 -15.471 2.075 1.00 13.15 C ATOM 702 CG GLU A 77 -24.862 -15.652 3.273 1.00 16.62 C ATOM 703 CD GLU A 77 -24.231 -15.199 4.576 1.00 21.61 C ATOM 704 OE1 GLU A 77 -23.105 -14.653 4.556 1.00 22.00 O ATOM 705 OE2 GLU A 77 -24.880 -15.388 5.628 1.00 32.47 O ATOM 706 H GLU A 77 -24.518 -17.903 0.936 1.00 0.00 H ATOM 707 N PRO A 78 -23.914 -14.524 -1.207 1.00 10.71 N ATOM 708 CA PRO A 78 -23.089 -14.400 -2.417 1.00 11.01 C ATOM 709 C PRO A 78 -21.633 -14.062 -2.161 1.00 11.95 C ATOM 710 O PRO A 78 -20.765 -14.502 -2.928 1.00 11.63 O ATOM 711 CB PRO A 78 -23.804 -13.312 -3.233 1.00 11.75 C ATOM 712 CG PRO A 78 -24.601 -12.540 -2.212 1.00 16.85 C ATOM 713 CD PRO A 78 -25.005 -13.538 -1.155 1.00 14.67 C ATOM 714 N GLU A 79 -21.321 -13.299 -1.118 1.00 11.36 N ATOM 715 CA GLU A 79 -19.964 -12.816 -0.941 1.00 10.43 C ATOM 716 C GLU A 79 -19.145 -13.804 -0.121 1.00 9.38 C ATOM 717 O GLU A 79 -19.553 -14.191 0.976 1.00 12.80 O ATOM 718 CB GLU A 79 -19.985 -11.446 -0.259 1.00 17.48 C ATOM 719 CG GLU A 79 -18.777 -10.577 -0.547 1.00 22.54 C ATOM 720 CD GLU A 79 -18.678 -10.136 -2.006 1.00 29.23 C ATOM 721 OE1 GLU A 79 -17.632 -9.564 -2.381 1.00 33.35 O ATOM 722 OE2 GLU A 79 -19.636 -10.348 -2.778 1.00 30.74 O ATOM 723 H GLU A 79 -22.054 -13.047 -0.425 1.00 0.00 H ATOM 724 N LEU A 80 -18.016 -14.237 -0.671 1.00 11.06 N ATOM 725 CA LEU A 80 -17.047 -14.967 0.131 1.00 9.17 C ATOM 726 C LEU A 80 -16.306 -13.982 1.020 1.00 12.08 C ATOM 727 O LEU A 80 -16.147 -12.811 0.676 1.00 14.30 O ATOM 728 CB LEU A 80 -16.023 -15.656 -0.756 1.00 11.75 C ATOM 729 CG LEU A 80 -16.580 -16.629 -1.798 1.00 10.02 C ATOM 730 CD1 LEU A 80 -15.439 -17.144 -2.647 1.00 12.78 C ATOM 731 CD2 LEU A 80 -17.339 -17.783 -1.153 1.00 13.96 C ATOM 732 H LEU A 80 -17.825 -14.054 -1.677 1.00 0.00 H ATOM 733 N MET A 81 -15.857 -14.461 2.175 1.00 8.63 N ATOM 734 CA MET A 81 -15.093 -13.638 3.110 1.00 10.19 C ATOM 735 C MET A 81 -13.640 -14.075 3.031 1.00 8.11 C ATOM 736 O MET A 81 -13.312 -15.206 3.392 1.00 10.58 O ATOM 737 CB MET A 81 -15.622 -13.803 4.529 1.00 10.41 C ATOM 738 CG MET A 81 -17.060 -13.419 4.673 1.00 11.15 C ATOM 739 SD MET A 81 -17.585 -13.615 6.383 1.00 15.74 S ATOM 740 CE MET A 81 -19.318 -13.162 6.289 1.00 20.53 C ATOM 741 H MET A 81 -16.055 -15.452 2.421 1.00 0.00 H ATOM 742 N ASP A 82 -12.777 -13.181 2.564 1.00 8.11 N ATOM 743 CA ASP A 82 -11.363 -13.463 2.347 1.00 6.68 C ATOM 744 C ASP A 82 -10.595 -12.874 3.525 1.00 8.11 C ATOM 745 O ASP A 82 -10.316 -11.675 3.557 1.00 9.03 O ATOM 746 CB ASP A 82 -10.964 -12.817 1.026 1.00 10.69 C ATOM 747 CG ASP A 82 -9.500 -12.950 0.705 1.00 17.42 C ATOM 748 OD1 ASP A 82 -8.770 -13.680 1.396 1.00 14.41 O ATOM 749 OD2 ASP A 82 -9.079 -12.305 -0.280 1.00 24.62 O ATOM 750 H ASP A 82 -13.128 -12.228 2.341 1.00 0.00 H ATOM 751 N VAL A 83 -10.263 -13.720 4.501 1.00 7.62 N ATOM 752 CA VAL A 83 -9.706 -13.267 5.778 1.00 7.83 C ATOM 753 C VAL A 83 -8.197 -13.429 5.747 1.00 6.98 C ATOM 754 O VAL A 83 -7.684 -14.545 5.599 1.00 8.12 O ATOM 755 CB VAL A 83 -10.303 -14.045 6.962 1.00 7.12 C ATOM 756 CG1 VAL A 83 -9.736 -13.524 8.267 1.00 10.22 C ATOM 757 CG2 VAL A 83 -11.823 -13.947 6.963 1.00 9.08 C ATOM 758 H VAL A 83 -10.405 -14.739 4.350 1.00 0.00 H ATOM 759 N HIS A 84 -7.489 -12.326 5.905 1.00 7.55 N ATOM 760 CA HIS A 84 -6.034 -12.327 5.992 1.00 7.50 C ATOM 761 C HIS A 84 -5.623 -12.303 7.455 1.00 7.66 C ATOM 762 O HIS A 84 -5.965 -11.360 8.182 1.00 7.75 O ATOM 763 CB HIS A 84 -5.486 -11.127 5.229 1.00 8.51 C ATOM 764 CG HIS A 84 -5.670 -11.254 3.751 1.00 10.15 C ATOM 765 ND1 HIS A 84 -4.607 -11.391 2.886 1.00 15.09 N ATOM 766 CD2 HIS A 84 -6.789 -11.328 2.989 1.00 10.43 C ATOM 767 CE1 HIS A 84 -5.061 -11.504 1.652 1.00 16.70 C ATOM 768 NE2 HIS A 84 -6.380 -11.481 1.686 1.00 14.16 N ATOM 769 H HIS A 84 -7.991 -11.417 5.970 1.00 0.00 H ATOM 770 N VAL A 85 -4.939 -13.365 7.890 1.00 6.76 N ATOM 771 CA VAL A 85 -4.623 -13.593 9.298 1.00 6.66 C ATOM 772 C VAL A 85 -3.185 -13.187 9.568 1.00 7.64 C ATOM 773 O VAL A 85 -2.270 -13.536 8.808 1.00 7.42 O ATOM 774 CB VAL A 85 -4.871 -15.058 9.700 1.00 7.09 C ATOM 775 CG1 VAL A 85 -4.728 -15.230 11.220 1.00 7.90 C ATOM 776 CG2 VAL A 85 -6.245 -15.512 9.253 1.00 7.60 C ATOM 777 H VAL A 85 -4.615 -14.064 7.191 1.00 0.00 H ATOM 778 N PHE A 86 -2.988 -12.461 10.664 1.00 6.94 N ATOM 779 CA PHE A 86 -1.684 -11.969 11.068 1.00 6.90 C ATOM 780 C PHE A 86 -1.448 -12.315 12.528 1.00 7.44 C ATOM 781 O PHE A 86 -2.384 -12.442 13.318 1.00 7.69 O ATOM 782 CB PHE A 86 -1.622 -10.438 10.962 1.00 8.68 C ATOM 783 CG PHE A 86 -1.799 -9.906 9.566 1.00 7.53 C ATOM 784 CD1 PHE A 86 -3.072 -9.717 9.041 1.00 9.44 C ATOM 785 CD2 PHE A 86 -0.694 -9.561 8.790 1.00 9.96 C ATOM 786 CE1 PHE A 86 -3.243 -9.207 7.753 1.00 11.99 C ATOM 787 CE2 PHE A 86 -0.869 -9.052 7.507 1.00 10.59 C ATOM 788 CZ PHE A 86 -2.137 -8.872 6.993 1.00 11.98 C ATOM 789 H PHE A 86 -3.809 -12.235 11.261 1.00 0.00 H ATOM 790 N CYS A 87 -0.175 -12.416 12.901 1.00 8.52 N ATOM 791 CA CYS A 87 0.236 -12.581 14.289 1.00 8.88 C ATOM 792 C CYS A 87 1.197 -11.472 14.698 1.00 11.65 C ATOM 793 O CYS A 87 1.887 -10.882 13.860 1.00 10.02 O ATOM 794 CB CYS A 87 0.936 -13.925 14.501 1.00 11.83 C ATOM 795 SG CYS A 87 -0.187 -15.308 14.693 1.00 9.67 S ATOM 796 H CYS A 87 0.561 -12.375 12.168 1.00 0.00 H ATOM 797 N THR A 88 1.251 -11.214 16.001 1.00 8.92 N ATOM 798 CA THR A 88 2.281 -10.369 16.583 1.00 11.54 C ATOM 799 C THR A 88 2.542 -10.866 17.993 1.00 12.89 C ATOM 800 O THR A 88 1.659 -11.443 18.630 1.00 14.19 O ATOM 801 CB THR A 88 1.870 -8.895 16.611 1.00 13.69 C ATOM 802 OG1 THR A 88 2.943 -8.124 17.170 1.00 22.53 O ATOM 803 CG2 THR A 88 0.597 -8.680 17.435 1.00 15.35 C ATOM 804 HG1 THR A 88 3.753 -8.236 16.612 1.00 0.00 H ATOM 805 H THR A 88 0.532 -11.631 16.626 1.00 0.00 H ATOM 806 N ASP A 89 3.770 -10.660 18.475 1.00 17.71 N ATOM 807 CA ASP A 89 4.113 -10.996 19.849 1.00 19.24 C ATOM 808 C ASP A 89 4.471 -9.780 20.692 1.00 31.58 C ATOM 809 O ASP A 89 4.718 -9.931 21.893 1.00 30.59 O ATOM 810 CB ASP A 89 5.245 -12.035 19.900 1.00 19.82 C ATOM 811 CG ASP A 89 6.565 -11.509 19.359 1.00 33.14 C ATOM 812 OD1 ASP A 89 6.628 -10.346 18.897 1.00 32.02 O ATOM 813 OD2 ASP A 89 7.552 -12.276 19.392 1.00 38.72 O ATOM 814 H ASP A 89 4.498 -10.250 17.855 1.00 0.00 H ATOM 815 N SER A 90 4.510 -8.587 20.099 1.00 25.49 N ATOM 816 CA SER A 90 4.928 -7.374 20.794 1.00 26.94 C ATOM 817 C SER A 90 3.872 -6.301 20.586 1.00 24.13 C ATOM 818 O SER A 90 3.638 -5.870 19.452 1.00 30.91 O ATOM 819 CB SER A 90 6.277 -6.886 20.263 1.00 35.01 C ATOM 820 OG SER A 90 6.244 -6.758 18.852 1.00 34.59 O ATOM 821 HG SER A 90 5.544 -6.105 18.597 1.00 0.00 H ATOM 822 H SER A 90 4.231 -8.518 19.100 1.00 0.00 H ATOM 823 N ILE A 91 3.251 -5.864 21.679 1.00 23.75 N ATOM 824 CA ILE A 91 2.197 -4.862 21.657 1.00 22.03 C ATOM 825 C ILE A 91 2.523 -3.784 22.683 1.00 21.91 C ATOM 826 O ILE A 91 3.369 -3.960 23.558 1.00 25.96 O ATOM 827 CB ILE A 91 0.817 -5.475 21.960 1.00 28.38 C ATOM 828 CG1 ILE A 91 0.887 -6.233 23.291 1.00 32.01 C ATOM 829 CG2 ILE A 91 0.360 -6.359 20.802 1.00 29.94 C ATOM 830 CD1 ILE A 91 -0.226 -5.929 24.252 1.00 36.95 C ATOM 831 H ILE A 91 3.535 -6.260 22.598 1.00 0.00 H ATOM 832 N GLN A 92 1.827 -2.653 22.563 1.00 17.22 N ATOM 833 CA GLN A 92 1.834 -1.611 23.578 1.00 14.12 C ATOM 834 C GLN A 92 0.400 -1.288 23.965 1.00 16.44 C ATOM 835 O GLN A 92 -0.513 -1.327 23.135 1.00 17.07 O ATOM 836 CB GLN A 92 2.525 -0.340 23.077 1.00 18.02 C ATOM 837 CG GLN A 92 3.981 -0.542 22.745 1.00 17.24 C ATOM 838 CD GLN A 92 4.570 0.646 22.011 1.00 30.06 C ATOM 839 OE1 GLN A 92 5.110 1.561 22.626 1.00 29.57 O ATOM 840 NE2 GLN A 92 4.458 0.641 20.688 1.00 25.52 N ATOM 841 HE22 GLN A 92 3.992 -0.156 20.209 1.00 0.00 H ATOM 842 HE21 GLN A 92 4.836 1.434 20.131 1.00 0.00 H ATOM 843 H GLN A 92 1.254 -2.510 21.707 1.00 0.00 H ATOM 844 N GLY A 93 0.208 -0.963 25.236 1.00 22.19 N ATOM 845 CA GLY A 93 -1.112 -0.729 25.776 1.00 17.73 C ATOM 846 C GLY A 93 -1.606 -1.922 26.577 1.00 17.36 C ATOM 847 O GLY A 93 -1.028 -3.011 26.563 1.00 18.55 O ATOM 848 H GLY A 93 1.032 -0.874 25.864 1.00 0.00 H ATOM 849 N THR A 94 -2.682 -1.687 27.305 1.00 19.45 N ATOM 850 CA THR A 94 -3.357 -2.720 28.066 1.00 18.62 C ATOM 851 C THR A 94 -4.675 -3.027 27.380 1.00 14.84 C ATOM 852 O THR A 94 -5.390 -2.095 26.988 1.00 20.93 O ATOM 853 CB THR A 94 -3.647 -2.224 29.492 1.00 20.71 C ATOM 854 OG1 THR A 94 -2.425 -1.808 30.111 1.00 23.73 O ATOM 855 CG2 THR A 94 -4.276 -3.332 30.340 1.00 19.44 C ATOM 856 HG1 THR A 94 -2.021 -1.075 29.582 1.00 0.00 H ATOM 857 H THR A 94 -3.062 -0.719 27.334 1.00 0.00 H ATOM 858 N PRO A 95 -5.016 -4.304 27.191 1.00 11.99 N ATOM 859 CA PRO A 95 -6.289 -4.628 26.537 1.00 15.88 C ATOM 860 C PRO A 95 -7.447 -3.972 27.269 1.00 19.33 C ATOM 861 O PRO A 95 -7.534 -4.017 28.496 1.00 19.67 O ATOM 862 CB PRO A 95 -6.355 -6.156 26.622 1.00 15.00 C ATOM 863 CG PRO A 95 -4.922 -6.584 26.718 1.00 15.35 C ATOM 864 CD PRO A 95 -4.237 -5.509 27.517 1.00 15.74 C ATOM 865 N VAL A 96 -8.329 -3.351 26.494 1.00 24.05 N ATOM 866 CA VAL A 96 -9.408 -2.512 26.998 1.00 20.05 C ATOM 867 C VAL A 96 -10.726 -3.243 26.773 1.00 15.90 C ATOM 868 O VAL A 96 -11.024 -3.632 25.642 1.00 19.36 O ATOM 869 CB VAL A 96 -9.415 -1.168 26.247 1.00 31.83 C ATOM 870 CG1 VAL A 96 -10.409 -0.224 26.858 1.00 27.00 C ATOM 871 CG2 VAL A 96 -8.019 -0.547 26.218 1.00 31.45 C ATOM 872 H VAL A 96 -8.244 -3.471 25.464 1.00 0.00 H ATOM 873 N GLU A 97 -11.517 -3.425 27.833 1.00 14.28 N ATOM 874 CA GLU A 97 -12.888 -3.897 27.645 1.00 14.39 C ATOM 875 C GLU A 97 -13.785 -2.735 27.251 1.00 16.46 C ATOM 876 O GLU A 97 -13.746 -1.668 27.874 1.00 14.73 O ATOM 877 CB GLU A 97 -13.487 -4.613 28.865 1.00 21.22 C ATOM 878 CG GLU A 97 -15.007 -4.873 28.660 1.00 23.98 C ATOM 879 CD GLU A 97 -15.645 -5.878 29.609 1.00 25.81 C ATOM 880 OE1 GLU A 97 -15.029 -6.207 30.627 1.00 21.58 O ATOM 881 OE2 GLU A 97 -16.785 -6.323 29.342 1.00 23.44 O ATOM 882 H GLU A 97 -11.159 -3.232 28.790 1.00 0.00 H ATOM 883 N SER A 98 -14.607 -2.954 26.237 1.00 13.52 N ATOM 884 CA SER A 98 -15.536 -1.948 25.753 1.00 12.26 C ATOM 885 C SER A 98 -16.922 -2.561 25.584 1.00 15.40 C ATOM 886 O SER A 98 -17.153 -3.743 25.866 1.00 16.82 O ATOM 887 CB SER A 98 -15.059 -1.408 24.405 1.00 14.50 C ATOM 888 OG SER A 98 -15.098 -2.453 23.446 1.00 15.47 O ATOM 889 HG SER A 98 -14.790 -2.108 22.571 1.00 0.00 H ATOM 890 H SER A 98 -14.587 -3.882 25.769 1.00 0.00 H ATOM 891 N ASP A 99 -17.863 -1.754 25.104 1.00 15.95 N ATOM 892 CA ASP A 99 -19.188 -2.301 24.862 1.00 18.16 C ATOM 893 C ASP A 99 -19.229 -3.247 23.667 1.00 17.37 C ATOM 894 O ASP A 99 -20.259 -3.892 23.444 1.00 22.91 O ATOM 895 CB ASP A 99 -20.208 -1.179 24.700 1.00 18.96 C ATOM 896 CG ASP A 99 -21.616 -1.652 24.939 1.00 15.46 C ATOM 897 OD1 ASP A 99 -21.869 -2.250 26.008 1.00 17.25 O ATOM 898 OD2 ASP A 99 -22.468 -1.444 24.057 1.00 19.42 O ATOM 899 H ASP A 99 -17.656 -0.754 24.906 1.00 0.00 H ATOM 900 N GLU A 100 -18.144 -3.353 22.899 1.00 14.68 N ATOM 901 CA GLU A 100 -18.100 -4.279 21.783 1.00 17.68 C ATOM 902 C GLU A 100 -17.280 -5.529 22.064 1.00 17.35 C ATOM 903 O GLU A 100 -17.453 -6.530 21.359 1.00 16.67 O ATOM 904 CB GLU A 100 -17.495 -3.606 20.544 1.00 18.06 C ATOM 905 CG GLU A 100 -18.215 -2.350 20.051 1.00 22.62 C ATOM 906 CD GLU A 100 -19.481 -2.649 19.263 1.00 36.46 C ATOM 907 OE1 GLU A 100 -19.783 -3.842 19.035 1.00 31.87 O ATOM 908 OE2 GLU A 100 -20.177 -1.686 18.872 1.00 30.73 O ATOM 909 H GLU A 100 -17.314 -2.761 23.104 1.00 0.00 H ATOM 910 N MET A 101 -16.401 -5.513 23.065 1.00 14.02 N ATOM 911 CA MET A 101 -15.401 -6.565 23.158 1.00 13.63 C ATOM 912 C MET A 101 -14.921 -6.719 24.594 1.00 11.21 C ATOM 913 O MET A 101 -14.622 -5.729 25.271 1.00 12.99 O ATOM 914 CB MET A 101 -14.210 -6.225 22.255 1.00 16.71 C ATOM 915 CG MET A 101 -13.237 -7.362 22.050 1.00 17.18 C ATOM 916 SD MET A 101 -13.885 -8.623 20.951 1.00 12.38 S ATOM 917 CE MET A 101 -14.425 -7.627 19.564 1.00 17.39 C ATOM 918 H MET A 101 -16.430 -4.754 23.775 1.00 0.00 H ATOM 919 N ARG A 102 -14.812 -7.973 25.040 1.00 9.84 N ATOM 920 CA ARG A 102 -14.264 -8.314 26.358 1.00 10.70 C ATOM 921 C ARG A 102 -12.990 -9.124 26.158 1.00 11.23 C ATOM 922 O ARG A 102 -13.062 -10.291 25.730 1.00 9.93 O ATOM 923 CB ARG A 102 -15.284 -9.125 27.157 1.00 12.74 C ATOM 924 CG ARG A 102 -14.812 -9.619 28.522 1.00 14.74 C ATOM 925 CD ARG A 102 -15.974 -10.193 29.337 1.00 15.82 C ATOM 926 NE ARG A 102 -16.677 -11.333 28.733 1.00 15.48 N ATOM 927 CZ ARG A 102 -16.417 -12.609 29.018 1.00 16.72 C ATOM 928 NH1 ARG A 102 -15.443 -12.900 29.866 1.00 13.99 N ATOM 929 NH2 ARG A 102 -17.119 -13.589 28.451 1.00 18.08 N ATOM 930 HE ARG A 102 -17.425 -11.132 28.039 1.00 0.00 H ATOM 931 HH12 ARG A 102 -15.232 -13.892 30.095 1.00 0.00 H ATOM 932 HH11 ARG A 102 -14.889 -12.136 30.303 1.00 0.00 H ATOM 933 HH22 ARG A 102 -16.907 -14.581 28.681 1.00 0.00 H ATOM 934 HH21 ARG A 102 -17.879 -13.362 27.778 1.00 0.00 H ATOM 935 H ARG A 102 -15.131 -8.747 24.423 1.00 0.00 H ATOM 936 N PRO A 103 -11.814 -8.574 26.435 1.00 12.61 N ATOM 937 CA PRO A 103 -10.567 -9.293 26.158 1.00 12.94 C ATOM 938 C PRO A 103 -10.109 -10.134 27.337 1.00 12.59 C ATOM 939 O PRO A 103 -10.335 -9.822 28.506 1.00 13.24 O ATOM 940 CB PRO A 103 -9.578 -8.142 25.934 1.00 11.80 C ATOM 941 CG PRO A 103 -10.026 -7.114 26.961 1.00 14.64 C ATOM 942 CD PRO A 103 -11.557 -7.236 27.010 1.00 13.79 C ATOM 943 N CYS A 104 -9.432 -11.232 27.012 1.00 9.50 N ATOM 944 CA CYS A 104 -8.840 -12.065 28.040 1.00 9.30 C ATOM 945 C CYS A 104 -7.647 -12.811 27.468 1.00 9.90 C ATOM 946 O CYS A 104 -7.653 -13.222 26.305 1.00 9.02 O ATOM 947 CB CYS A 104 -9.846 -13.065 28.587 1.00 10.25 C ATOM 948 SG CYS A 104 -9.416 -13.566 30.234 1.00 16.97 S ATOM 949 H CYS A 104 -9.327 -11.495 26.011 1.00 0.00 H ATOM 950 N TRP A 105 -6.611 -12.971 28.300 1.00 9.52 N ATOM 951 CA TRP A 105 -5.443 -13.764 27.939 1.00 9.22 C ATOM 952 C TRP A 105 -5.720 -15.226 28.254 1.00 11.70 C ATOM 953 O TRP A 105 -6.349 -15.540 29.273 1.00 14.72 O ATOM 954 CB TRP A 105 -4.230 -13.331 28.749 1.00 9.73 C ATOM 955 CG TRP A 105 -3.635 -12.027 28.351 1.00 9.62 C ATOM 956 CD1 TRP A 105 -3.744 -10.843 29.016 1.00 11.78 C ATOM 957 CD2 TRP A 105 -2.812 -11.772 27.211 1.00 8.41 C ATOM 958 NE1 TRP A 105 -3.052 -9.864 28.363 1.00 12.00 N ATOM 959 CE2 TRP A 105 -2.471 -10.406 27.242 1.00 9.97 C ATOM 960 CE3 TRP A 105 -2.333 -12.568 26.159 1.00 9.40 C ATOM 961 CZ2 TRP A 105 -1.667 -9.811 26.268 1.00 12.43 C ATOM 962 CZ3 TRP A 105 -1.531 -11.975 25.197 1.00 12.09 C ATOM 963 CH2 TRP A 105 -1.206 -10.615 25.259 1.00 12.00 C ATOM 964 HE1 TRP A 105 -2.977 -8.871 28.664 1.00 0.00 H ATOM 965 H TRP A 105 -6.640 -12.515 29.234 1.00 0.00 H ATOM 966 N PHE A 106 -5.241 -16.120 27.390 1.00 10.99 N ATOM 967 CA PHE A 106 -5.439 -17.556 27.559 1.00 10.68 C ATOM 968 C PHE A 106 -4.104 -18.271 27.490 1.00 12.37 C ATOM 969 O PHE A 106 -3.309 -18.010 26.586 1.00 15.06 O ATOM 970 CB PHE A 106 -6.335 -18.118 26.450 1.00 11.42 C ATOM 971 CG PHE A 106 -7.752 -17.685 26.565 1.00 10.74 C ATOM 972 CD1 PHE A 106 -8.156 -16.478 26.021 1.00 10.08 C ATOM 973 CD2 PHE A 106 -8.677 -18.460 27.245 1.00 9.07 C ATOM 974 CE1 PHE A 106 -9.456 -16.062 26.144 1.00 10.67 C ATOM 975 CE2 PHE A 106 -9.986 -18.053 27.361 1.00 9.94 C ATOM 976 CZ PHE A 106 -10.372 -16.840 26.811 1.00 10.56 C ATOM 977 H PHE A 106 -4.706 -15.782 26.565 1.00 0.00 H ATOM 978 N GLN A 107 -3.866 -19.182 28.431 1.00 12.62 N ATOM 979 CA GLN A 107 -2.745 -20.094 28.257 1.00 13.06 C ATOM 980 C GLN A 107 -2.989 -20.967 27.035 1.00 13.33 C ATOM 981 O GLN A 107 -4.128 -21.285 26.691 1.00 15.22 O ATOM 982 CB GLN A 107 -2.605 -20.984 29.489 1.00 15.14 C ATOM 983 CG GLN A 107 -2.330 -20.198 30.748 1.00 19.62 C ATOM 984 CD GLN A 107 -0.995 -19.493 30.705 1.00 27.45 C ATOM 985 OE1 GLN A 107 0.053 -20.137 30.727 1.00 28.14 O ATOM 986 NE2 GLN A 107 -1.021 -18.162 30.631 1.00 21.43 N ATOM 987 HE22 GLN A 107 -1.932 -17.660 30.615 1.00 0.00 H ATOM 988 HE21 GLN A 107 -0.131 -17.626 30.589 1.00 0.00 H ATOM 989 H GLN A 107 -4.470 -19.241 29.275 1.00 0.00 H ATOM 990 N LEU A 108 -1.901 -21.366 26.377 1.00 13.74 N ATOM 991 CA LEU A 108 -2.049 -22.027 25.082 1.00 18.31 C ATOM 992 C LEU A 108 -2.819 -23.339 25.194 1.00 22.15 C ATOM 993 O LEU A 108 -3.638 -23.655 24.321 1.00 24.90 O ATOM 994 CB LEU A 108 -0.688 -22.207 24.416 1.00 17.51 C ATOM 995 CG LEU A 108 0.076 -20.906 24.166 1.00 15.60 C ATOM 996 CD1 LEU A 108 1.261 -21.166 23.269 1.00 23.18 C ATOM 997 CD2 LEU A 108 -0.827 -19.831 23.558 1.00 17.70 C ATOM 998 H LEU A 108 -0.956 -21.209 26.781 1.00 0.00 H ATOM 999 N ASP A 109 -2.624 -24.083 26.284 1.00 20.35 N ATOM 1000 CA ASP A 109 -3.371 -25.323 26.468 1.00 23.14 C ATOM 1001 C ASP A 109 -4.835 -25.099 26.823 1.00 27.23 C ATOM 1002 O ASP A 109 -5.590 -26.075 26.897 1.00 32.13 O ATOM 1003 CB ASP A 109 -2.739 -26.152 27.580 1.00 26.62 C ATOM 1004 CG ASP A 109 -1.580 -26.976 27.098 1.00 40.57 C ATOM 1005 OD1 ASP A 109 -1.241 -26.893 25.896 1.00 32.35 O ATOM 1006 OD2 ASP A 109 -1.010 -27.704 27.934 1.00 31.48 O ATOM 1007 H ASP A 109 -1.938 -23.779 27.004 1.00 0.00 H ATOM 1008 N GLN A 110 -5.255 -23.861 27.060 1.00 15.37 N ATOM 1009 CA GLN A 110 -6.618 -23.584 27.493 1.00 18.15 C ATOM 1010 C GLN A 110 -7.372 -22.714 26.493 1.00 13.13 C ATOM 1011 O GLN A 110 -8.313 -22.007 26.860 1.00 18.14 O ATOM 1012 CB GLN A 110 -6.632 -22.973 28.893 1.00 21.08 C ATOM 1013 CG GLN A 110 -6.117 -23.913 29.970 1.00 25.32 C ATOM 1014 H GLN A 110 -4.593 -23.069 26.933 1.00 0.00 H ATOM 1015 N ILE A 111 -6.984 -22.772 25.225 1.00 13.87 N ATOM 1016 CA ILE A 111 -7.717 -22.005 24.217 1.00 12.21 C ATOM 1017 C ILE A 111 -9.154 -22.516 24.147 1.00 10.29 C ATOM 1018 O ILE A 111 -9.381 -23.741 24.069 1.00 12.15 O ATOM 1019 CB ILE A 111 -6.998 -22.090 22.863 1.00 12.51 C ATOM 1020 CG1 ILE A 111 -5.696 -21.272 22.961 1.00 18.65 C ATOM 1021 CG2 ILE A 111 -7.863 -21.568 21.728 1.00 12.90 C ATOM 1022 CD1 ILE A 111 -4.702 -21.567 21.877 1.00 18.40 C ATOM 1023 H ILE A 111 -6.168 -23.356 24.951 1.00 0.00 H ATOM 1024 N PRO A 112 -10.148 -21.639 24.209 1.00 11.71 N ATOM 1025 CA PRO A 112 -11.554 -22.036 24.435 1.00 11.00 C ATOM 1026 C PRO A 112 -12.274 -22.421 23.147 1.00 9.24 C ATOM 1027 O PRO A 112 -13.237 -21.772 22.722 1.00 10.29 O ATOM 1028 CB PRO A 112 -12.146 -20.772 25.063 1.00 10.97 C ATOM 1029 CG PRO A 112 -11.387 -19.664 24.412 1.00 13.96 C ATOM 1030 CD PRO A 112 -9.980 -20.176 24.200 1.00 11.78 C ATOM 1031 N PHE A 113 -11.812 -23.506 22.523 1.00 10.67 N ATOM 1032 CA PHE A 113 -12.312 -23.881 21.199 1.00 10.81 C ATOM 1033 C PHE A 113 -13.821 -24.112 21.169 1.00 9.28 C ATOM 1034 O PHE A 113 -14.464 -23.853 20.145 1.00 10.97 O ATOM 1035 CB PHE A 113 -11.577 -25.118 20.690 1.00 11.03 C ATOM 1036 CG PHE A 113 -10.169 -24.846 20.272 1.00 10.96 C ATOM 1037 CD1 PHE A 113 -9.907 -24.020 19.184 1.00 12.84 C ATOM 1038 CD2 PHE A 113 -9.105 -25.404 20.960 1.00 13.24 C ATOM 1039 CE1 PHE A 113 -8.608 -23.760 18.790 1.00 13.79 C ATOM 1040 CE2 PHE A 113 -7.796 -25.143 20.577 1.00 16.14 C ATOM 1041 CZ PHE A 113 -7.552 -24.324 19.486 1.00 14.29 C ATOM 1042 H PHE A 113 -11.087 -24.093 22.983 1.00 0.00 H ATOM 1043 N LYS A 114 -14.402 -24.621 22.259 1.00 13.28 N ATOM 1044 CA LYS A 114 -15.843 -24.842 22.272 1.00 12.98 C ATOM 1045 C LYS A 114 -16.625 -23.544 22.127 1.00 12.42 C ATOM 1046 O LYS A 114 -17.781 -23.568 21.682 1.00 16.22 O ATOM 1047 CB LYS A 114 -16.252 -25.551 23.566 1.00 18.92 C ATOM 1048 H LYS A 114 -13.829 -24.858 23.094 1.00 0.00 H ATOM 1049 N ASP A 115 -16.021 -22.416 22.489 1.00 11.86 N ATOM 1050 CA ASP A 115 -16.654 -21.107 22.421 1.00 13.31 C ATOM 1051 C ASP A 115 -16.022 -20.237 21.344 1.00 10.15 C ATOM 1052 O ASP A 115 -16.007 -19.012 21.457 1.00 9.59 O ATOM 1053 CB ASP A 115 -16.605 -20.414 23.783 1.00 12.43 C ATOM 1054 CG ASP A 115 -17.418 -21.146 24.837 1.00 22.04 C ATOM 1055 OD1 ASP A 115 -18.485 -21.686 24.486 1.00 25.40 O ATOM 1056 OD2 ASP A 115 -17.000 -21.172 26.013 1.00 22.17 O ATOM 1057 H ASP A 115 -15.044 -22.472 22.840 1.00 0.00 H ATOM 1058 N MET A 116 -15.482 -20.866 20.310 1.00 10.27 N ATOM 1059 CA MET A 116 -14.926 -20.194 19.149 1.00 9.45 C ATOM 1060 C MET A 116 -15.607 -20.732 17.900 1.00 8.44 C ATOM 1061 O MET A 116 -16.317 -21.744 17.938 1.00 10.36 O ATOM 1062 CB MET A 116 -13.415 -20.433 19.069 1.00 9.93 C ATOM 1063 CG MET A 116 -12.663 -19.734 20.209 1.00 11.14 C ATOM 1064 SD MET A 116 -10.994 -20.332 20.478 1.00 9.93 S ATOM 1065 CE MET A 116 -10.119 -19.525 19.137 1.00 11.92 C ATOM 1066 H MET A 116 -15.455 -21.905 20.331 1.00 0.00 H ATOM 1067 N TRP A 117 -15.397 -20.042 16.786 1.00 9.19 N ATOM 1068 CA TRP A 117 -15.868 -20.570 15.517 1.00 9.43 C ATOM 1069 C TRP A 117 -15.271 -21.958 15.315 1.00 11.06 C ATOM 1070 O TRP A 117 -14.110 -22.194 15.679 1.00 8.89 O ATOM 1071 CB TRP A 117 -15.420 -19.670 14.365 1.00 9.63 C ATOM 1072 CG TRP A 117 -16.161 -18.387 14.232 1.00 9.68 C ATOM 1073 CD1 TRP A 117 -15.861 -17.187 14.826 1.00 8.44 C ATOM 1074 CD2 TRP A 117 -17.303 -18.152 13.404 1.00 9.93 C ATOM 1075 NE1 TRP A 117 -16.768 -16.225 14.430 1.00 10.08 N ATOM 1076 CE2 TRP A 117 -17.658 -16.795 13.552 1.00 9.90 C ATOM 1077 CE3 TRP A 117 -18.060 -18.965 12.549 1.00 10.47 C ATOM 1078 CZ2 TRP A 117 -18.747 -16.234 12.884 1.00 12.41 C ATOM 1079 CZ3 TRP A 117 -19.139 -18.403 11.880 1.00 11.97 C ATOM 1080 CH2 TRP A 117 -19.475 -17.058 12.056 1.00 13.09 C ATOM 1081 HE1 TRP A 117 -16.776 -15.234 14.744 1.00 0.00 H ATOM 1082 H TRP A 117 -14.899 -19.130 16.821 1.00 0.00 H ATOM 1083 N PRO A 118 -16.028 -22.895 14.746 1.00 8.31 N ATOM 1084 CA PRO A 118 -15.549 -24.286 14.687 1.00 9.84 C ATOM 1085 C PRO A 118 -14.333 -24.499 13.810 1.00 8.54 C ATOM 1086 O PRO A 118 -13.562 -25.422 14.071 1.00 10.26 O ATOM 1087 CB PRO A 118 -16.764 -25.065 14.163 1.00 11.69 C ATOM 1088 CG PRO A 118 -17.654 -24.055 13.550 1.00 10.85 C ATOM 1089 CD PRO A 118 -17.439 -22.775 14.338 1.00 11.77 C ATOM 1090 N ASP A 119 -14.124 -23.689 12.774 1.00 8.61 N ATOM 1091 CA ASP A 119 -12.946 -23.892 11.942 1.00 7.27 C ATOM 1092 C ASP A 119 -11.659 -23.588 12.693 1.00 7.87 C ATOM 1093 O ASP A 119 -10.599 -24.085 12.296 1.00 8.32 O ATOM 1094 CB ASP A 119 -13.039 -23.000 10.706 1.00 7.86 C ATOM 1095 CG ASP A 119 -13.270 -21.550 11.063 1.00 8.03 C ATOM 1096 OD1 ASP A 119 -14.398 -21.230 11.501 1.00 8.99 O ATOM 1097 OD2 ASP A 119 -12.328 -20.741 10.909 1.00 8.15 O ATOM 1098 H ASP A 119 -14.793 -22.922 12.562 1.00 0.00 H ATOM 1099 N ASP A 120 -11.729 -22.792 13.766 1.00 7.44 N ATOM 1100 CA ASP A 120 -10.512 -22.410 14.474 1.00 7.02 C ATOM 1101 C ASP A 120 -9.788 -23.619 15.040 1.00 8.10 C ATOM 1102 O ASP A 120 -8.561 -23.599 15.143 1.00 8.37 O ATOM 1103 CB ASP A 120 -10.800 -21.389 15.573 1.00 7.77 C ATOM 1104 CG ASP A 120 -11.338 -20.094 15.024 1.00 9.89 C ATOM 1105 OD1 ASP A 120 -11.964 -20.125 13.940 1.00 9.39 O ATOM 1106 OD2 ASP A 120 -11.161 -19.057 15.682 1.00 9.46 O ATOM 1107 H ASP A 120 -12.652 -22.445 14.096 1.00 0.00 H ATOM 1108 N SER A 121 -10.518 -24.685 15.389 1.00 8.28 N ATOM 1109 CA SER A 121 -9.883 -25.893 15.909 1.00 9.40 C ATOM 1110 C SER A 121 -8.937 -26.514 14.888 1.00 10.28 C ATOM 1111 O SER A 121 -8.002 -27.240 15.259 1.00 11.97 O ATOM 1112 CB SER A 121 -10.960 -26.905 16.303 1.00 10.47 C ATOM 1113 OG SER A 121 -11.755 -26.435 17.383 1.00 11.06 O ATOM 1114 HG SER A 121 -12.201 -25.591 17.120 1.00 0.00 H ATOM 1115 H SER A 121 -11.553 -24.653 15.288 1.00 0.00 H ATOM 1116 N TYR A 122 -9.189 -26.265 13.597 1.00 8.75 N ATOM 1117 CA TYR A 122 -8.348 -26.803 12.531 1.00 9.99 C ATOM 1118 C TYR A 122 -7.073 -25.990 12.339 1.00 10.12 C ATOM 1119 O TYR A 122 -5.989 -26.558 12.204 1.00 10.68 O ATOM 1120 CB TYR A 122 -9.126 -26.819 11.212 1.00 9.88 C ATOM 1121 CG TYR A 122 -10.212 -27.861 11.164 1.00 13.30 C ATOM 1122 CD1 TYR A 122 -9.919 -29.171 10.800 1.00 23.65 C ATOM 1123 CD2 TYR A 122 -11.526 -27.545 11.484 1.00 14.51 C ATOM 1124 CE1 TYR A 122 -10.904 -30.136 10.751 1.00 22.68 C ATOM 1125 CE2 TYR A 122 -12.528 -28.510 11.434 1.00 18.35 C ATOM 1126 CZ TYR A 122 -12.205 -29.801 11.071 1.00 20.35 C ATOM 1127 OH TYR A 122 -13.187 -30.772 11.020 1.00 25.05 O ATOM 1128 HH TYR A 122 -12.784 -31.633 10.744 1.00 0.00 H ATOM 1129 H TYR A 122 -10.006 -25.672 13.346 1.00 0.00 H ATOM 1130 N TRP A 123 -7.172 -24.663 12.282 1.00 8.14 N ATOM 1131 CA TRP A 123 -6.000 -23.874 11.911 1.00 7.70 C ATOM 1132 C TRP A 123 -5.292 -23.190 13.070 1.00 9.09 C ATOM 1133 O TRP A 123 -4.112 -22.839 12.932 1.00 9.96 O ATOM 1134 CB TRP A 123 -6.348 -22.822 10.848 1.00 9.74 C ATOM 1135 CG TRP A 123 -7.483 -21.880 11.218 1.00 7.83 C ATOM 1136 CD1 TRP A 123 -8.806 -22.009 10.874 1.00 8.99 C ATOM 1137 CD2 TRP A 123 -7.380 -20.659 11.960 1.00 7.89 C ATOM 1138 NE1 TRP A 123 -9.525 -20.958 11.372 1.00 8.23 N ATOM 1139 CE2 TRP A 123 -8.679 -20.107 12.037 1.00 7.32 C ATOM 1140 CE3 TRP A 123 -6.316 -19.977 12.563 1.00 8.54 C ATOM 1141 CZ2 TRP A 123 -8.943 -18.903 12.704 1.00 9.58 C ATOM 1142 CZ3 TRP A 123 -6.573 -18.779 13.228 1.00 8.85 C ATOM 1143 CH2 TRP A 123 -7.879 -18.255 13.292 1.00 9.79 C ATOM 1144 HE1 TRP A 123 -10.551 -20.825 11.264 1.00 0.00 H ATOM 1145 H TRP A 123 -8.074 -24.194 12.499 1.00 0.00 H ATOM 1146 N PHE A 124 -5.972 -22.955 14.188 1.00 9.24 N ATOM 1147 CA PHE A 124 -5.289 -22.381 15.340 1.00 12.65 C ATOM 1148 C PHE A 124 -4.087 -23.213 15.762 1.00 11.74 C ATOM 1149 O PHE A 124 -3.037 -22.619 16.065 1.00 13.42 O ATOM 1150 CB PHE A 124 -6.294 -22.173 16.485 1.00 15.88 C ATOM 1151 CG PHE A 124 -6.140 -20.884 17.217 1.00 13.24 C ATOM 1152 CD1 PHE A 124 -5.297 -20.804 18.309 1.00 16.62 C ATOM 1153 CD2 PHE A 124 -6.863 -19.757 16.844 1.00 19.91 C ATOM 1154 CE1 PHE A 124 -5.152 -19.618 19.010 1.00 21.76 C ATOM 1155 CE2 PHE A 124 -6.723 -18.572 17.549 1.00 16.75 C ATOM 1156 CZ PHE A 124 -5.862 -18.505 18.627 1.00 18.57 C ATOM 1157 H PHE A 124 -6.986 -23.180 14.240 1.00 0.00 H ATOM 1158 N PRO A 125 -4.146 -24.548 15.781 1.00 12.77 N ATOM 1159 CA PRO A 125 -2.938 -25.323 16.109 1.00 16.78 C ATOM 1160 C PRO A 125 -1.771 -25.107 15.150 1.00 16.94 C ATOM 1161 O PRO A 125 -0.610 -25.230 15.564 1.00 17.49 O ATOM 1162 CB PRO A 125 -3.453 -26.770 16.122 1.00 19.28 C ATOM 1163 CG PRO A 125 -4.912 -26.604 16.547 1.00 13.96 C ATOM 1164 CD PRO A 125 -5.358 -25.396 15.799 1.00 14.82 C ATOM 1165 N LEU A 126 -2.029 -24.779 13.882 1.00 11.67 N ATOM 1166 CA LEU A 126 -0.930 -24.458 12.982 1.00 9.98 C ATOM 1167 C LEU A 126 -0.305 -23.124 13.356 1.00 11.93 C ATOM 1168 O LEU A 126 0.925 -22.976 13.366 1.00 13.51 O ATOM 1169 CB LEU A 126 -1.452 -24.414 11.547 1.00 11.83 C ATOM 1170 CG LEU A 126 -2.245 -25.645 11.102 1.00 13.68 C ATOM 1171 CD1 LEU A 126 -2.682 -25.465 9.645 1.00 14.23 C ATOM 1172 CD2 LEU A 126 -1.422 -26.927 11.278 1.00 20.89 C ATOM 1173 H LEU A 126 -3.010 -24.753 13.538 1.00 0.00 H ATOM 1174 N LEU A 127 -1.145 -22.136 13.665 1.00 10.98 N ATOM 1175 CA LEU A 127 -0.650 -20.838 14.100 1.00 13.51 C ATOM 1176 C LEU A 127 0.218 -20.968 15.355 1.00 14.38 C ATOM 1177 O LEU A 127 1.264 -20.315 15.465 1.00 16.31 O ATOM 1178 CB LEU A 127 -1.859 -19.929 14.329 1.00 13.57 C ATOM 1179 CG LEU A 127 -1.702 -18.460 14.685 1.00 19.07 C ATOM 1180 CD1 LEU A 127 -2.764 -17.656 13.955 1.00 26.95 C ATOM 1181 CD2 LEU A 127 -1.858 -18.293 16.177 1.00 26.29 C ATOM 1182 H LEU A 127 -2.170 -22.295 13.594 1.00 0.00 H ATOM 1183 N LEU A 128 -0.173 -21.849 16.289 1.00 13.39 N ATOM 1184 CA LEU A 128 0.589 -22.044 17.526 1.00 12.66 C ATOM 1185 C LEU A 128 1.959 -22.660 17.269 1.00 16.72 C ATOM 1186 O LEU A 128 2.909 -22.386 18.017 1.00 22.32 O ATOM 1187 CB LEU A 128 -0.182 -22.943 18.497 1.00 18.54 C ATOM 1188 CG LEU A 128 -1.512 -22.416 19.026 1.00 19.10 C ATOM 1189 CD1 LEU A 128 -2.109 -23.416 19.984 1.00 22.93 C ATOM 1190 CD2 LEU A 128 -1.309 -21.088 19.703 1.00 18.44 C ATOM 1191 H LEU A 128 -1.037 -22.406 16.131 1.00 0.00 H ATOM 1192 N GLN A 129 2.079 -23.505 16.245 1.00 14.84 N ATOM 1193 CA GLN A 129 3.344 -24.130 15.881 1.00 13.64 C ATOM 1194 C GLN A 129 4.094 -23.339 14.816 1.00 15.16 C ATOM 1195 O GLN A 129 5.026 -23.867 14.194 1.00 17.91 O ATOM 1196 CB GLN A 129 3.147 -25.604 15.492 1.00 15.41 C ATOM 1197 CG GLN A 129 2.858 -26.494 16.722 1.00 20.41 C ATOM 1198 CD GLN A 129 2.718 -27.985 16.416 1.00 20.17 C ATOM 1199 OE1 GLN A 129 2.604 -28.395 15.259 1.00 18.89 O ATOM 1200 NE2 GLN A 129 2.727 -28.807 17.470 1.00 18.16 N ATOM 1201 HE22 GLN A 129 2.825 -28.420 18.430 1.00 0.00 H ATOM 1202 HE21 GLN A 129 2.636 -29.833 17.330 1.00 0.00 H ATOM 1203 H GLN A 129 1.234 -23.728 15.682 1.00 0.00 H ATOM 1204 N LYS A 130 3.697 -22.080 14.598 1.00 15.68 N ATOM 1205 CA LYS A 130 4.407 -21.153 13.717 1.00 16.57 C ATOM 1206 C LYS A 130 4.377 -21.604 12.258 1.00 16.33 C ATOM 1207 O LYS A 130 5.326 -21.393 11.503 1.00 19.23 O ATOM 1208 CB LYS A 130 5.828 -20.875 14.212 1.00 17.61 C ATOM 1209 CG LYS A 130 5.863 -20.131 15.547 1.00 19.61 C ATOM 1210 CD LYS A 130 5.403 -18.691 15.383 1.00 32.40 C ATOM 1211 H LYS A 130 2.839 -21.743 15.080 1.00 0.00 H ATOM 1212 N LYS A 131 3.272 -22.218 11.855 1.00 11.84 N ATOM 1213 CA LYS A 131 3.069 -22.655 10.485 1.00 10.51 C ATOM 1214 C LYS A 131 2.147 -21.662 9.788 1.00 15.40 C ATOM 1215 O LYS A 131 1.310 -21.018 10.425 1.00 18.72 O ATOM 1216 CB LYS A 131 2.446 -24.052 10.441 1.00 14.09 C ATOM 1217 CG LYS A 131 3.276 -25.115 11.139 1.00 17.95 C ATOM 1218 CD LYS A 131 4.657 -25.140 10.530 1.00 16.52 C ATOM 1219 CE LYS A 131 5.447 -26.330 10.985 1.00 31.84 C ATOM 1220 NZ LYS A 131 6.757 -26.413 10.286 1.00 30.56 N ATOM 1221 HZ1 LYS A 131 6.597 -26.495 9.262 1.00 0.00 H ATOM 1222 HZ2 LYS A 131 7.309 -25.555 10.484 1.00 0.00 H ATOM 1223 HZ3 LYS A 131 7.277 -27.247 10.625 1.00 0.00 H ATOM 1224 H LYS A 131 2.519 -22.394 12.550 1.00 0.00 H ATOM 1225 N LYS A 132 2.327 -21.515 8.481 1.00 11.92 N ATOM 1226 CA LYS A 132 1.497 -20.642 7.664 1.00 10.99 C ATOM 1227 C LYS A 132 0.565 -21.495 6.821 1.00 12.63 C ATOM 1228 O LYS A 132 0.877 -22.645 6.503 1.00 10.54 O ATOM 1229 CB LYS A 132 2.357 -19.748 6.765 1.00 13.59 C ATOM 1230 CG LYS A 132 3.287 -18.850 7.556 1.00 15.24 C ATOM 1231 CD LYS A 132 4.234 -18.101 6.649 1.00 21.66 C ATOM 1232 H LYS A 132 3.094 -22.046 8.021 1.00 0.00 H ATOM 1233 N PHE A 133 -0.593 -20.938 6.455 1.00 9.63 N ATOM 1234 CA PHE A 133 -1.610 -21.786 5.848 1.00 10.02 C ATOM 1235 C PHE A 133 -2.527 -21.012 4.913 1.00 9.03 C ATOM 1236 O PHE A 133 -2.676 -19.791 5.009 1.00 7.97 O ATOM 1237 CB PHE A 133 -2.471 -22.487 6.912 1.00 10.11 C ATOM 1238 CG PHE A 133 -3.090 -21.545 7.902 1.00 9.66 C ATOM 1239 CD1 PHE A 133 -4.310 -20.946 7.629 1.00 10.41 C ATOM 1240 CD2 PHE A 133 -2.448 -21.246 9.092 1.00 11.38 C ATOM 1241 CE1 PHE A 133 -4.871 -20.064 8.531 1.00 11.67 C ATOM 1242 CE2 PHE A 133 -3.006 -20.376 10.003 1.00 16.16 C ATOM 1243 CZ PHE A 133 -4.224 -19.786 9.719 1.00 11.98 C ATOM 1244 H PHE A 133 -0.764 -19.923 6.600 1.00 0.00 H ATOM 1245 N HIS A 134 -3.140 -21.764 4.000 1.00 9.41 N ATOM 1246 CA HIS A 134 -4.256 -21.320 3.179 1.00 9.99 C ATOM 1247 C HIS A 134 -5.416 -22.255 3.466 1.00 9.05 C ATOM 1248 O HIS A 134 -5.270 -23.478 3.363 1.00 11.11 O ATOM 1249 CB HIS A 134 -3.919 -21.418 1.685 1.00 11.94 C ATOM 1250 CG HIS A 134 -3.060 -20.298 1.192 1.00 13.87 C ATOM 1251 ND1 HIS A 134 -2.640 -20.209 -0.118 1.00 17.45 N ATOM 1252 CD2 HIS A 134 -2.544 -19.221 1.827 1.00 11.05 C ATOM 1253 CE1 HIS A 134 -1.901 -19.124 -0.268 1.00 17.21 C ATOM 1254 NE2 HIS A 134 -1.837 -18.499 0.895 1.00 14.04 N ATOM 1255 H HIS A 134 -2.797 -22.736 3.865 1.00 0.00 H ATOM 1256 N GLY A 135 -6.571 -21.689 3.820 1.00 9.73 N ATOM 1257 CA GLY A 135 -7.728 -22.488 4.147 1.00 10.88 C ATOM 1258 C GLY A 135 -8.956 -21.998 3.411 1.00 10.38 C ATOM 1259 O GLY A 135 -9.032 -20.856 2.966 1.00 9.41 O ATOM 1260 H GLY A 135 -6.639 -20.652 3.861 1.00 0.00 H ATOM 1261 N TYR A 136 -9.910 -22.915 3.268 1.00 10.22 N ATOM 1262 CA TYR A 136 -11.234 -22.626 2.746 1.00 9.29 C ATOM 1263 C TYR A 136 -12.219 -23.404 3.600 1.00 10.36 C ATOM 1264 O TYR A 136 -12.011 -24.594 3.854 1.00 11.08 O ATOM 1265 CB TYR A 136 -11.348 -23.099 1.293 1.00 10.11 C ATOM 1266 CG TYR A 136 -12.772 -23.238 0.837 1.00 11.32 C ATOM 1267 CD1 TYR A 136 -13.505 -22.127 0.455 1.00 7.63 C ATOM 1268 CD2 TYR A 136 -13.392 -24.479 0.800 1.00 11.39 C ATOM 1269 CE1 TYR A 136 -14.815 -22.246 0.037 1.00 13.35 C ATOM 1270 CE2 TYR A 136 -14.695 -24.606 0.394 1.00 11.83 C ATOM 1271 CZ TYR A 136 -15.403 -23.488 0.009 1.00 11.14 C ATOM 1272 OH TYR A 136 -16.707 -23.616 -0.406 1.00 15.21 O ATOM 1273 HH TYR A 136 -17.065 -22.724 -0.645 1.00 0.00 H ATOM 1274 H TYR A 136 -9.695 -23.894 3.546 1.00 0.00 H ATOM 1275 N PHE A 137 -13.282 -22.747 4.051 1.00 7.11 N ATOM 1276 CA PHE A 137 -14.307 -23.425 4.842 1.00 7.26 C ATOM 1277 C PHE A 137 -15.679 -23.048 4.317 1.00 8.67 C ATOM 1278 O PHE A 137 -15.999 -21.864 4.201 1.00 8.94 O ATOM 1279 CB PHE A 137 -14.215 -23.096 6.340 1.00 9.54 C ATOM 1280 CG PHE A 137 -12.984 -23.648 7.004 1.00 8.35 C ATOM 1281 CD1 PHE A 137 -11.775 -22.959 6.940 1.00 9.96 C ATOM 1282 CD2 PHE A 137 -13.033 -24.851 7.701 1.00 8.34 C ATOM 1283 CE1 PHE A 137 -10.635 -23.483 7.545 1.00 10.29 C ATOM 1284 CE2 PHE A 137 -11.892 -25.375 8.309 1.00 9.47 C ATOM 1285 CZ PHE A 137 -10.705 -24.693 8.227 1.00 9.52 C ATOM 1286 H PHE A 137 -13.386 -21.734 3.838 1.00 0.00 H ATOM 1287 N LYS A 138 -16.474 -24.058 3.983 1.00 9.90 N ATOM 1288 CA LYS A 138 -17.850 -23.882 3.539 1.00 9.80 C ATOM 1289 C LYS A 138 -18.759 -24.186 4.719 1.00 9.29 C ATOM 1290 O LYS A 138 -18.751 -25.310 5.232 1.00 10.35 O ATOM 1291 CB LYS A 138 -18.158 -24.852 2.399 1.00 10.60 C ATOM 1292 CG LYS A 138 -19.591 -24.754 1.859 1.00 10.66 C ATOM 1293 CD LYS A 138 -19.743 -25.740 0.688 1.00 12.53 C ATOM 1294 CE LYS A 138 -21.161 -25.871 0.198 1.00 26.70 C ATOM 1295 NZ LYS A 138 -21.351 -27.082 -0.660 1.00 31.51 N ATOM 1296 HZ1 LYS A 138 -20.726 -27.020 -1.489 1.00 0.00 H ATOM 1297 HZ2 LYS A 138 -21.117 -27.934 -0.111 1.00 0.00 H ATOM 1298 HZ3 LYS A 138 -22.341 -27.131 -0.974 1.00 0.00 H ATOM 1299 H LYS A 138 -16.094 -25.025 4.041 1.00 0.00 H ATOM 1300 N PHE A 139 -19.516 -23.183 5.155 1.00 9.06 N ATOM 1301 CA PHE A 139 -20.413 -23.269 6.296 1.00 9.08 C ATOM 1302 C PHE A 139 -21.865 -23.306 5.836 1.00 10.52 C ATOM 1303 O PHE A 139 -22.237 -22.694 4.825 1.00 10.38 O ATOM 1304 CB PHE A 139 -20.292 -22.002 7.154 1.00 8.07 C ATOM 1305 CG PHE A 139 -19.232 -22.061 8.219 1.00 6.49 C ATOM 1306 CD1 PHE A 139 -17.910 -21.811 7.906 1.00 8.62 C ATOM 1307 CD2 PHE A 139 -19.565 -22.333 9.542 1.00 10.05 C ATOM 1308 CE1 PHE A 139 -16.923 -21.849 8.883 1.00 9.23 C ATOM 1309 CE2 PHE A 139 -18.576 -22.375 10.538 1.00 9.36 C ATOM 1310 CZ PHE A 139 -17.252 -22.130 10.196 1.00 7.54 C ATOM 1311 H PHE A 139 -19.463 -22.278 4.646 1.00 0.00 H ATOM 1312 N GLN A 140 -22.695 -24.011 6.607 1.00 9.76 N ATOM 1313 CA GLN A 140 -24.146 -23.843 6.544 1.00 13.03 C ATOM 1314 C GLN A 140 -24.563 -23.260 7.886 1.00 13.29 C ATOM 1315 O GLN A 140 -24.402 -23.913 8.924 1.00 16.07 O ATOM 1316 CB GLN A 140 -24.858 -25.165 6.270 1.00 17.85 C ATOM 1317 CG GLN A 140 -26.376 -25.005 6.103 1.00 20.41 C ATOM 1318 CD GLN A 140 -27.059 -26.279 5.655 1.00 33.22 C ATOM 1319 OE1 GLN A 140 -27.707 -26.312 4.609 1.00 46.73 O ATOM 1320 NE2 GLN A 140 -26.930 -27.332 6.451 1.00 29.79 N ATOM 1321 HE22 GLN A 140 -26.372 -27.257 7.326 1.00 0.00 H ATOM 1322 HE21 GLN A 140 -27.387 -28.232 6.201 1.00 0.00 H ATOM 1323 H GLN A 140 -22.297 -24.702 7.274 1.00 0.00 H ATOM 1324 N GLY A 141 -25.057 -22.022 7.869 1.00 11.97 N ATOM 1325 CA GLY A 141 -25.229 -21.346 9.131 1.00 13.50 C ATOM 1326 C GLY A 141 -23.867 -21.063 9.745 1.00 15.52 C ATOM 1327 O GLY A 141 -22.838 -21.035 9.069 1.00 14.97 O ATOM 1328 H GLY A 141 -25.310 -21.558 6.973 1.00 0.00 H ATOM 1329 N GLN A 142 -23.860 -20.855 11.054 1.00 11.90 N ATOM 1330 CA GLN A 142 -22.623 -20.480 11.716 1.00 12.39 C ATOM 1331 C GLN A 142 -21.986 -21.608 12.511 1.00 13.52 C ATOM 1332 O GLN A 142 -20.916 -21.398 13.096 1.00 11.63 O ATOM 1333 CB GLN A 142 -22.831 -19.242 12.591 1.00 16.89 C ATOM 1334 CG GLN A 142 -23.287 -18.022 11.796 1.00 19.64 C ATOM 1335 CD GLN A 142 -23.216 -16.747 12.603 1.00 27.75 C ATOM 1336 OE1 GLN A 142 -22.957 -16.775 13.805 1.00 31.70 O ATOM 1337 NE2 GLN A 142 -23.444 -15.619 11.945 1.00 39.19 N ATOM 1338 HE22 GLN A 142 -23.659 -15.645 10.928 1.00 0.00 H ATOM 1339 HE21 GLN A 142 -23.408 -14.708 12.446 1.00 0.00 H ATOM 1340 H GLN A 142 -24.736 -20.960 11.604 1.00 0.00 H ATOM 1341 N ASP A 143 -22.577 -22.810 12.518 1.00 10.34 N ATOM 1342 CA ASP A 143 -22.075 -23.902 13.341 1.00 12.86 C ATOM 1343 C ASP A 143 -21.597 -25.116 12.569 1.00 14.63 C ATOM 1344 O ASP A 143 -20.882 -25.942 13.149 1.00 19.55 O ATOM 1345 CB ASP A 143 -23.154 -24.394 14.322 1.00 15.10 C ATOM 1346 CG ASP A 143 -23.652 -23.305 15.239 1.00 21.71 C ATOM 1347 OD1 ASP A 143 -22.868 -22.392 15.553 1.00 21.78 O ATOM 1348 OD2 ASP A 143 -24.831 -23.370 15.654 1.00 27.92 O ATOM 1349 H ASP A 143 -23.414 -22.967 11.922 1.00 0.00 H ATOM 1350 N THR A 144 -21.989 -25.277 11.313 1.00 10.64 N ATOM 1351 CA THR A 144 -21.760 -26.511 10.576 1.00 9.31 C ATOM 1352 C THR A 144 -20.773 -26.265 9.445 1.00 10.07 C ATOM 1353 O THR A 144 -21.032 -25.441 8.560 1.00 10.69 O ATOM 1354 CB THR A 144 -23.082 -27.007 10.001 1.00 12.63 C ATOM 1355 OG1 THR A 144 -24.030 -27.130 11.061 1.00 14.79 O ATOM 1356 CG2 THR A 144 -22.906 -28.356 9.329 1.00 13.49 C ATOM 1357 HG1 THR A 144 -24.892 -27.452 10.696 1.00 0.00 H ATOM 1358 H THR A 144 -22.478 -24.493 10.837 1.00 0.00 H ATOM 1359 N ILE A 145 -19.656 -26.986 9.469 1.00 8.29 N ATOM 1360 CA ILE A 145 -18.716 -26.996 8.355 1.00 9.37 C ATOM 1361 C ILE A 145 -19.136 -28.111 7.409 1.00 11.53 C ATOM 1362 O ILE A 145 -19.050 -29.291 7.757 1.00 10.75 O ATOM 1363 CB ILE A 145 -17.275 -27.186 8.839 1.00 9.60 C ATOM 1364 CG1 ILE A 145 -16.875 -26.024 9.758 1.00 11.50 C ATOM 1365 CG2 ILE A 145 -16.324 -27.320 7.639 1.00 9.25 C ATOM 1366 CD1 ILE A 145 -15.585 -26.271 10.533 1.00 11.28 C ATOM 1367 H ILE A 145 -19.446 -27.561 10.310 1.00 0.00 H ATOM 1368 N LEU A 146 -19.579 -27.738 6.202 1.00 9.90 N ATOM 1369 CA LEU A 146 -19.975 -28.733 5.202 1.00 9.60 C ATOM 1370 C LEU A 146 -18.763 -29.386 4.554 1.00 13.71 C ATOM 1371 O LEU A 146 -18.730 -30.609 4.380 1.00 16.41 O ATOM 1372 CB LEU A 146 -20.871 -28.089 4.138 1.00 11.47 C ATOM 1373 CG LEU A 146 -22.196 -27.477 4.598 1.00 10.75 C ATOM 1374 CD1 LEU A 146 -22.901 -26.760 3.466 1.00 14.57 C ATOM 1375 CD2 LEU A 146 -23.086 -28.561 5.133 1.00 13.23 C ATOM 1376 H LEU A 146 -19.643 -26.726 5.971 1.00 0.00 H ATOM 1377 N ASP A 147 -17.753 -28.596 4.205 1.00 12.07 N ATOM 1378 CA ASP A 147 -16.489 -29.140 3.736 1.00 13.39 C ATOM 1379 C ASP A 147 -15.447 -28.042 3.845 1.00 9.72 C ATOM 1380 O ASP A 147 -15.768 -26.867 4.036 1.00 9.80 O ATOM 1381 CB ASP A 147 -16.579 -29.702 2.310 1.00 20.35 C ATOM 1382 CG ASP A 147 -17.184 -28.726 1.331 1.00 21.17 C ATOM 1383 OD1 ASP A 147 -16.525 -27.716 1.011 1.00 27.90 O ATOM 1384 OD2 ASP A 147 -18.316 -28.977 0.866 1.00 30.23 O ATOM 1385 H ASP A 147 -17.870 -27.565 4.269 1.00 0.00 H ATOM 1386 N TYR A 148 -14.193 -28.445 3.741 1.00 11.21 N ATOM 1387 CA TYR A 148 -13.098 -27.515 3.930 1.00 10.51 C ATOM 1388 C TYR A 148 -11.851 -28.050 3.255 1.00 11.94 C ATOM 1389 O TYR A 148 -11.734 -29.247 2.964 1.00 14.49 O ATOM 1390 CB TYR A 148 -12.821 -27.289 5.416 1.00 11.44 C ATOM 1391 CG TYR A 148 -11.985 -28.375 6.038 1.00 12.70 C ATOM 1392 CD1 TYR A 148 -12.553 -29.589 6.380 1.00 14.83 C ATOM 1393 CD2 TYR A 148 -10.629 -28.190 6.264 1.00 13.27 C ATOM 1394 CE1 TYR A 148 -11.794 -30.590 6.942 1.00 22.38 C ATOM 1395 CE2 TYR A 148 -9.860 -29.186 6.829 1.00 15.98 C ATOM 1396 CZ TYR A 148 -10.457 -30.387 7.164 1.00 20.26 C ATOM 1397 OH TYR A 148 -9.718 -31.397 7.727 1.00 22.90 O ATOM 1398 HH TYR A 148 -9.326 -31.082 8.580 1.00 0.00 H ATOM 1399 H TYR A 148 -13.990 -29.441 3.521 1.00 0.00 H ATOM 1400 N THR A 149 -10.917 -27.136 3.022 1.00 12.59 N ATOM 1401 CA THR A 149 -9.548 -27.483 2.689 1.00 11.76 C ATOM 1402 C THR A 149 -8.622 -26.656 3.564 1.00 13.39 C ATOM 1403 O THR A 149 -8.933 -25.516 3.922 1.00 11.84 O ATOM 1404 CB THR A 149 -9.211 -27.255 1.198 1.00 16.60 C ATOM 1405 OG1 THR A 149 -9.339 -25.871 0.864 1.00 16.47 O ATOM 1406 CG2 THR A 149 -10.118 -28.080 0.294 1.00 21.23 C ATOM 1407 HG1 THR A 149 -8.716 -25.339 1.421 1.00 0.00 H ATOM 1408 H THR A 149 -11.177 -26.131 3.080 1.00 0.00 H ATOM 1409 N LEU A 150 -7.482 -27.240 3.916 1.00 12.16 N ATOM 1410 CA LEU A 150 -6.523 -26.522 4.749 1.00 11.14 C ATOM 1411 C LEU A 150 -5.137 -27.069 4.472 1.00 13.20 C ATOM 1412 O LEU A 150 -4.878 -28.250 4.716 1.00 14.96 O ATOM 1413 CB LEU A 150 -6.866 -26.640 6.236 1.00 11.33 C ATOM 1414 CG LEU A 150 -5.924 -25.910 7.193 1.00 11.09 C ATOM 1415 CD1 LEU A 150 -5.909 -24.407 6.923 1.00 11.46 C ATOM 1416 CD2 LEU A 150 -6.326 -26.205 8.631 1.00 15.40 C ATOM 1417 H LEU A 150 -7.273 -28.208 3.598 1.00 0.00 H ATOM 1418 N ARG A 151 -4.253 -26.220 3.971 1.00 11.46 N ATOM 1419 CA ARG A 151 -2.919 -26.681 3.627 1.00 13.32 C ATOM 1420 C ARG A 151 -1.888 -25.678 4.112 1.00 11.84 C ATOM 1421 O ARG A 151 -2.109 -24.460 4.069 1.00 11.83 O ATOM 1422 CB ARG A 151 -2.778 -26.943 2.117 1.00 19.88 C ATOM 1423 CG ARG A 151 -2.584 -25.702 1.261 1.00 22.47 C ATOM 1424 CD ARG A 151 -2.046 -26.047 -0.135 1.00 26.75 C ATOM 1425 NE ARG A 151 -1.589 -24.871 -0.887 1.00 29.27 N ATOM 1426 CZ ARG A 151 -2.399 -23.987 -1.472 1.00 42.40 C ATOM 1427 NH1 ARG A 151 -1.896 -22.951 -2.140 1.00 23.33 N ATOM 1428 NH2 ARG A 151 -3.716 -24.132 -1.385 1.00 36.49 N ATOM 1429 HE ARG A 151 -0.564 -24.717 -0.969 1.00 0.00 H ATOM 1430 HH12 ARG A 151 -2.533 -22.266 -2.594 1.00 0.00 H ATOM 1431 HH11 ARG A 151 -0.866 -22.827 -2.208 1.00 0.00 H ATOM 1432 HH22 ARG A 151 -4.346 -23.442 -1.841 1.00 0.00 H ATOM 1433 HH21 ARG A 151 -4.117 -24.935 -0.860 1.00 0.00 H ATOM 1434 H ARG A 151 -4.513 -25.224 3.824 1.00 0.00 H ATOM 1435 N GLU A 152 -0.757 -26.197 4.572 1.00 10.55 N ATOM 1436 CA GLU A 152 0.354 -25.356 4.962 1.00 10.76 C ATOM 1437 C GLU A 152 1.077 -24.838 3.731 1.00 8.45 C ATOM 1438 O GLU A 152 1.135 -25.501 2.688 1.00 13.51 O ATOM 1439 CB GLU A 152 1.313 -26.136 5.858 1.00 11.69 C ATOM 1440 CG GLU A 152 0.648 -26.489 7.173 1.00 16.97 C ATOM 1441 CD GLU A 152 1.548 -27.251 8.123 1.00 15.35 C ATOM 1442 OE1 GLU A 152 2.779 -27.176 7.967 1.00 16.82 O ATOM 1443 OE2 GLU A 152 1.011 -27.907 9.039 1.00 19.94 O ATOM 1444 H GLU A 152 -0.667 -27.230 4.654 1.00 0.00 H ATOM 1445 N VAL A 153 1.590 -23.613 3.851 1.00 9.07 N ATOM 1446 CA VAL A 153 2.267 -22.924 2.760 1.00 8.99 C ATOM 1447 C VAL A 153 3.514 -22.248 3.313 1.00 10.84 C ATOM 1448 O VAL A 153 3.634 -21.991 4.514 1.00 11.64 O ATOM 1449 CB VAL A 153 1.360 -21.878 2.062 1.00 11.20 C ATOM 1450 CG1 VAL A 153 0.115 -22.547 1.466 1.00 13.28 C ATOM 1451 CG2 VAL A 153 0.977 -20.756 3.026 1.00 10.85 C ATOM 1452 H VAL A 153 1.503 -23.127 4.766 1.00 0.00 H ATOM 1453 N ASP A 154 4.451 -21.958 2.409 1.00 12.00 N ATOM 1454 CA ASP A 154 5.629 -21.183 2.769 1.00 13.61 C ATOM 1455 C ASP A 154 5.452 -19.691 2.552 1.00 13.25 C ATOM 1456 O ASP A 154 6.163 -18.899 3.179 1.00 16.80 O ATOM 1457 CB ASP A 154 6.843 -21.662 1.966 1.00 12.17 C ATOM 1458 CG ASP A 154 7.239 -23.078 2.314 1.00 17.59 C ATOM 1459 OD1 ASP A 154 7.207 -23.413 3.514 1.00 19.69 O ATOM 1460 OD2 ASP A 154 7.569 -23.848 1.389 1.00 22.50 O ATOM 1461 H ASP A 154 4.338 -22.291 1.430 1.00 0.00 H ATOM 1462 N THR A 155 4.555 -19.295 1.651 1.00 11.89 N ATOM 1463 CA THR A 155 4.279 -17.898 1.358 1.00 12.30 C ATOM 1464 C THR A 155 2.781 -17.703 1.463 1.00 11.21 C ATOM 1465 O THR A 155 2.014 -18.372 0.762 1.00 13.53 O ATOM 1466 CB THR A 155 4.749 -17.536 -0.052 1.00 10.38 C ATOM 1467 OG1 THR A 155 6.122 -17.935 -0.193 1.00 16.48 O ATOM 1468 CG2 THR A 155 4.647 -16.045 -0.262 1.00 18.19 C ATOM 1469 HG1 THR A 155 6.439 -17.706 -1.102 1.00 0.00 H ATOM 1470 H THR A 155 4.025 -20.022 1.130 1.00 0.00 H ATOM 1471 N VAL A 156 2.369 -16.810 2.347 1.00 11.24 N ATOM 1472 CA VAL A 156 0.961 -16.540 2.528 1.00 11.48 C ATOM 1473 C VAL A 156 0.416 -15.781 1.333 1.00 16.44 C ATOM 1474 O VAL A 156 1.068 -14.857 0.833 1.00 15.45 O ATOM 1475 CB VAL A 156 0.714 -15.789 3.847 1.00 13.30 C ATOM 1476 CG1 VAL A 156 -0.769 -15.526 4.023 1.00 15.00 C ATOM 1477 CG2 VAL A 156 1.259 -16.594 5.025 1.00 17.65 C ATOM 1478 OXT VAL A 156 -0.676 -16.093 0.848 1.00 17.72 O ATOM 1479 H VAL A 156 3.068 -16.295 2.920 1.00 0.00 H TER 1480 VAL A 156 HETATM 1481 O HOH 1 -20.784 -29.625 0.970 1.00 38.21 O HETATM 1482 O HOH 2 2.935 -3.212 13.070 1.00 33.17 O HETATM 1483 O HOH 3 -13.890 -26.420 17.633 1.00 32.77 O HETATM 1484 O HOH 4 4.896 -7.161 16.451 1.00 40.29 O HETATM 1485 O HOH 5 -20.853 -1.802 27.868 1.00 31.87 O HETATM 1486 O HOH 6 -0.081 -21.744 -2.317 1.00 27.79 O HETATM 1487 O HOH 7 -21.434 -10.981 -3.850 1.00 33.08 O HETATM 1488 O HOH 8 -2.724 1.787 3.788 1.00 27.53 O HETATM 1489 O HOH 9 -9.132 3.602 6.468 1.00 35.87 O HETATM 1490 O HOH 10 -16.980 -25.409 -1.784 1.00 34.82 O HETATM 1491 O HOH 11 -15.210 -13.718 -8.227 1.00 36.14 O HETATM 1492 O HOH 12 -6.903 -11.716 -0.946 1.00 24.56 O HETATM 1493 O HOH 13 3.945 -1.322 19.448 1.00 33.51 O HETATM 1494 O HOH 14 4.655 -5.448 9.726 1.00 32.27 O HETATM 1495 O HOH 15 0.718 -21.592 27.905 1.00 30.12 O HETATM 1496 O HOH 16 5.606 -21.183 22.973 1.00 41.81 O HETATM 1497 O HOH 17 -1.983 -29.504 29.262 1.00 38.61 O HETATM 1498 O HOH 18 -24.406 -2.945 23.881 1.00 31.35 O HETATM 1499 O HOH 19 -19.812 -3.017 2.807 1.00 42.96 O HETATM 1500 O HOH 20 -19.023 -33.189 2.188 1.00 31.36 O HETATM 1501 O HOH 21 -13.908 -2.906 21.307 1.00 29.50 O HETATM 1502 O HOH 22 -23.376 -17.797 16.037 1.00 37.18 O HETATM 1503 O HOH 23 -5.781 -18.658 -0.632 1.00 36.35 O HETATM 1504 O HOH 24 -19.360 -6.329 19.287 1.00 25.87 O HETATM 1505 O HOH 25 9.057 -25.906 1.491 1.00 30.46 O HETATM 1506 O HOH 26 -12.119 -2.846 23.487 1.00 27.38 O HETATM 1507 O HOH 27 -22.375 -14.607 6.999 1.00 28.83 O HETATM 1508 O HOH 28 2.556 -28.729 10.904 1.00 19.08 O HETATM 1509 O HOH 29 -5.503 2.740 7.699 1.00 34.72 O HETATM 1510 O HOH 30 -18.718 -10.155 3.511 1.00 22.16 O HETATM 1511 O HOH 31 5.380 -3.366 25.042 1.00 37.75 O HETATM 1512 O HOH 32 5.887 -9.689 16.512 1.00 28.72 O HETATM 1513 O HOH 33 -15.288 -6.950 -2.313 1.00 27.50 O HETATM 1514 O HOH 34 -10.019 -21.580 28.752 1.00 26.35 O HETATM 1515 O HOH 35 -14.713 -11.922 19.231 1.00 30.72 O HETATM 1516 O HOH 36 -15.736 -21.348 -4.041 1.00 28.10 O HETATM 1517 O HOH 37 -19.898 -4.432 9.040 1.00 38.86 O HETATM 1518 O HOH 38 -17.227 -8.963 -4.873 1.00 26.49 O HETATM 1519 O HOH 39 -7.329 -16.730 31.386 1.00 32.60 O HETATM 1520 O HOH 40 -12.707 1.559 19.924 1.00 25.74 O HETATM 1521 O HOH 41 -12.587 -7.104 30.939 1.00 21.08 O HETATM 1522 O HOH 42 -19.892 0.986 19.879 1.00 28.53 O HETATM 1523 O HOH 43 -22.523 -4.445 24.694 1.00 28.77 O HETATM 1524 O HOH 44 -14.740 -10.999 -7.446 1.00 44.29 O HETATM 1525 O HOH 45 -5.395 -11.295 19.588 1.00 10.03 O HETATM 1526 O HOH 46 -2.850 -16.263 30.373 1.00 24.27 O HETATM 1527 O HOH 47 1.951 -7.467 5.290 1.00 32.46 O HETATM 1528 O HOH 48 -16.555 1.189 21.630 1.00 20.49 O HETATM 1529 O HOH 49 -24.937 -24.209 11.509 1.00 17.72 O HETATM 1530 O HOH 50 -7.730 -20.172 0.750 1.00 26.72 O HETATM 1531 O HOH 51 -14.659 -1.824 4.041 1.00 31.88 O HETATM 1532 O HOH 52 -3.405 -13.453 4.093 1.00 25.44 O HETATM 1533 O HOH 53 -23.794 -20.137 16.669 1.00 36.05 O HETATM 1534 O HOH 54 -14.823 -5.311 13.004 1.00 32.78 O HETATM 1535 O HOH 55 6.659 -19.197 -2.502 1.00 23.79 O HETATM 1536 O HOH 56 -25.206 -11.380 16.735 1.00 28.77 O HETATM 1537 O HOH 57 -26.379 -28.251 3.290 1.00 37.35 O HETATM 1538 O HOH 58 -2.070 -11.262 3.789 1.00 26.16 O HETATM 1539 O HOH 59 -17.471 -32.992 4.468 1.00 29.63 O HETATM 1540 O HOH 60 3.752 -15.918 27.418 1.00 26.16 O HETATM 1541 O HOH 61 3.213 -13.342 1.504 1.00 25.77 O HETATM 1542 O HOH 62 -14.615 -1.269 30.415 1.00 21.34 O HETATM 1543 O HOH 63 -10.972 -10.332 -1.473 1.00 27.06 O HETATM 1544 O HOH 64 -14.978 -19.817 27.228 1.00 23.14 O HETATM 1545 O HOH 65 -12.568 3.175 11.051 1.00 34.55 O HETATM 1546 O HOH 66 1.010 -1.519 4.642 1.00 29.70 O HETATM 1547 O HOH 67 3.542 -8.555 7.220 1.00 28.47 O HETATM 1548 O HOH 68 -25.396 -20.356 5.396 1.00 15.67 O HETATM 1549 O HOH 69 5.224 -23.558 18.863 1.00 39.59 O HETATM 1550 O HOH 70 -13.617 -11.489 31.334 1.00 22.66 O HETATM 1551 O HOH 71 2.557 -20.974 20.336 1.00 29.64 O HETATM 1552 O HOH 72 -20.042 -26.615 15.670 1.00 28.39 O HETATM 1553 O HOH 73 -7.211 -30.990 8.759 1.00 38.41 O HETATM 1554 O HOH 74 6.425 -27.388 7.741 1.00 33.30 O HETATM 1555 O HOH 75 -20.546 -12.605 2.993 1.00 27.64 O HETATM 1556 O HOH 76 4.676 -14.624 6.270 1.00 20.20 O HETATM 1557 O HOH 77 -8.082 -26.106 24.620 1.00 27.18 O HETATM 1558 O HOH 78 -19.690 -19.472 21.995 1.00 25.77 O HETATM 1559 O HOH 79 -12.954 6.243 0.297 1.00 15.06 O HETATM 1560 O HOH 80 -13.436 -17.922 16.800 1.00 8.60 O HETATM 1561 O HOH 81 -7.063 -6.963 12.304 1.00 21.76 O HETATM 1562 O HOH 82 -9.111 -4.532 8.382 1.00 19.04 O HETATM 1563 O HOH 83 1.943 -17.972 14.143 1.00 20.73 O HETATM 1564 O HOH 84 -1.516 0.704 29.361 1.00 32.03 O HETATM 1565 O HOH 85 -1.728 -13.716 31.313 1.00 24.48 O HETATM 1566 O HOH 86 4.345 -23.056 6.977 1.00 14.70 O HETATM 1567 O HOH 87 -1.075 -15.198 -1.754 1.00 26.10 O HETATM 1568 O HOH 88 -16.977 -24.446 17.964 1.00 25.01 O HETATM 1569 O HOH 89 -13.184 -24.040 17.547 1.00 12.58 O HETATM 1570 O HOH 90 -3.398 4.398 -0.299 1.00 27.30 O HETATM 1571 O HOH 91 4.785 -25.741 6.660 1.00 19.91 O HETATM 1572 O HOH 92 1.458 -20.310 -1.169 1.00 26.20 O HETATM 1573 O HOH 93 7.843 -22.488 12.017 1.00 25.69 O HETATM 1574 O HOH 94 -13.491 -5.074 2.889 1.00 19.15 O HETATM 1575 O HOH 95 -10.015 -24.959 -1.699 1.00 31.86 O HETATM 1576 O HOH 96 -2.693 -1.458 16.496 1.00 19.40 O HETATM 1577 O HOH 97 4.116 -13.135 27.600 1.00 35.51 O HETATM 1578 O HOH 98 -12.821 -28.167 19.316 1.00 31.34 O HETATM 1579 O HOH 99 2.646 -8.135 26.748 1.00 32.25 O HETATM 1580 O HOH 100 -28.299 -13.940 0.478 1.00 27.30 O HETATM 1581 O HOH 101 -20.450 -16.848 1.125 1.00 11.54 O HETATM 1582 O HOH 102 -13.754 -1.344 8.343 1.00 26.93 O HETATM 1583 O HOH 103 -23.201 -13.845 14.345 1.00 30.11 O HETATM 1584 O HOH 104 -6.858 -24.584 1.206 1.00 22.85 O HETATM 1585 O HOH 105 -4.860 0.411 25.642 1.00 31.31 O HETATM 1586 O HOH 106 8.025 -24.011 9.536 1.00 23.75 O HETATM 1587 O HOH 107 -3.083 1.357 10.332 1.00 24.78 O HETATM 1588 O HOH 108 -13.817 2.178 2.881 1.00 20.98 O HETATM 1589 O HOH 109 2.480 -18.823 11.755 1.00 26.72 O HETATM 1590 O HOH 110 3.530 -14.258 17.522 1.00 27.64 O HETATM 1591 O HOH 111 -9.653 4.022 13.648 1.00 24.93 O HETATM 1592 O HOH 112 7.161 -18.702 5.822 1.00 36.95 O HETATM 1593 O HOH 113 -5.514 -25.639 23.567 1.00 37.79 O HETATM 1594 O HOH 114 -16.981 0.000 0.000 1.00 36.47 O HETATM 1595 O HOH 115 2.437 -0.624 26.957 1.00 33.29 O HETATM 1596 O HOH 116 3.723 -18.759 21.158 1.00 29.66 O HETATM 1597 O HOH 117 -16.590 -11.147 14.556 1.00 31.54 O HETATM 1598 O HOH 118 -14.531 -27.905 15.070 1.00 20.37 O HETATM 1599 O HOH 119 -15.421 -8.928 10.743 1.00 22.93 O HETATM 1600 O HOH 120 -7.927 -28.273 17.918 1.00 30.65 O HETATM 1601 O HOH 121 -8.031 4.676 3.762 1.00 35.66 O HETATM 1602 O HOH 122 -13.149 -25.349 24.726 1.00 28.37 O HETATM 1603 O HOH 123 8.654 -17.755 4.016 1.00 28.92 O HETATM 1604 O HOH 124 -0.175 -26.848 17.894 1.00 22.76 O HETATM 1605 O HOH 125 -0.089 -22.753 31.900 1.00 31.81 O HETATM 1606 O HOH 126 -2.011 -12.527 6.123 1.00 15.07 O HETATM 1607 O HOH 127 -21.354 -6.976 12.918 1.00 39.93 O HETATM 1608 O HOH 128 -11.372 5.550 2.245 1.00 23.82 O HETATM 1609 O HOH 129 -13.950 0.284 11.365 1.00 36.10 O HETATM 1610 O HOH 130 -18.610 -27.730 13.062 1.00 32.26 O HETATM 1611 O HOH 131 -10.287 -2.258 30.178 1.00 31.05 O HETATM 1612 O HOH 132 -26.380 -28.680 10.370 1.00 33.67 O HETATM 1613 O HOH 133 6.659 -19.816 9.466 1.00 29.11 O HETATM 1614 O HOH 134 7.992 -21.499 5.548 1.00 22.38 O HETATM 1615 O HOH 135 -15.577 -4.508 10.057 1.00 20.85 O HETATM 1616 O HOH 136 6.552 -7.994 9.048 1.00 36.62 O HETATM 1617 O HOH 137 -19.020 -10.550 27.201 1.00 24.59 O HETATM 1618 O HOH 138 -18.901 -24.055 26.120 1.00 32.42 O HETATM 1619 O HOH 139 -12.593 -10.076 19.200 1.00 30.87 O HETATM 1620 O HOH 140 -3.937 -30.170 2.742 1.00 42.55 O HETATM 1621 O HOH 141 -11.578 -9.615 31.133 1.00 21.12 O HETATM 1622 O HOH 142 -12.198 -13.636 10.847 1.00 21.84 O HETATM 1623 O HOH 143 -12.226 -32.115 3.164 1.00 39.91 O HETATM 1624 O HOH 144 -21.298 -3.919 16.531 1.00 41.88 O HETATM 1625 O HOH 145 -18.067 3.436 0.374 1.00 34.44 O HETATM 1626 O HOH 146 -5.850 -19.792 30.501 1.00 23.37 O HETATM 1627 O HOH 147 -19.762 -5.674 14.406 1.00 37.30 O HETATM 1628 O HOH 148 -16.329 -13.666 15.802 1.00 19.26 O HETATM 1629 O HOH 149 1.176 -25.672 -0.302 1.00 35.49 O HETATM 1630 O HOH 150 -0.380 -23.986 28.180 1.00 32.77 O HETATM 1631 O HOH 151 -19.772 -21.157 19.819 1.00 31.76 O HETATM 1632 O HOH 152 -26.383 -20.594 12.550 1.00 24.49 O HETATM 1633 O HOH 153 -5.348 -13.384 -2.281 1.00 34.81 O HETATM 1634 O HOH 154 -0.519 -29.139 4.649 1.00 21.92 O HETATM 1635 O HOH 155 4.096 -21.281 -0.486 1.00 18.56 O HETATM 1636 O HOH 156 -9.478 -16.768 16.512 1.00 20.37 O HETATM 1637 O HOH 157 -25.617 -18.034 6.734 1.00 28.92 O HETATM 1638 O HOH 158 4.462 -15.248 3.748 1.00 20.83 O HETATM 1639 O HOH 159 -0.838 -5.220 3.073 1.00 23.03 O HETATM 1640 O HOH 160 -22.995 -12.075 1.014 1.00 18.06 O HETATM 1641 O HOH 161 5.184 -15.899 20.493 1.00 35.15 O HETATM 1642 O HOH 162 -21.395 -16.066 16.273 1.00 37.06 O HETATM 1643 O HOH 163 -19.743 -14.309 27.141 1.00 36.77 O HETATM 1644 O HOH 164 -8.766 -8.883 30.924 1.00 37.77 O HETATM 1645 O HOH 165 -19.681 -9.262 7.921 1.00 30.97 O HETATM 1646 O HOH 166 -12.770 -11.371 -5.751 1.00 38.63 O HETATM 1647 O HOH 167 1.911 0.999 14.914 1.00 21.78 O HETATM 1648 O HOH 168 -2.961 -14.091 0.967 1.00 28.61 O HETATM 1649 O HOH 169 -23.209 -1.456 18.913 1.00 37.04 O HETATM 1650 O HOH 170 -29.543 -28.711 4.198 1.00 37.62 O HETATM 1651 O HOH 171 -14.097 -14.700 -5.421 1.00 37.25 O HETATM 1652 O HOH 172 4.496 0.355 16.150 1.00 25.90 O HETATM 1653 O HOH 173 -21.442 -12.008 23.844 1.00 35.11 O HETATM 1654 O HOH 174 3.278 -27.892 20.346 1.00 28.48 O HETATM 1655 O HOH 175 -19.694 -7.847 1.965 1.00 33.37 O HETATM 1656 O HOH 176 -19.987 -24.511 16.266 1.00 35.74 O HETATM 1657 O HOH 177 -20.889 -5.540 29.295 1.00 41.11 O HETATM 1658 O HOH 178 4.624 0.814 25.588 1.00 35.20 O HETATM 1659 O HOH 179 -3.680 1.190 28.020 1.00 34.53 O HETATM 1660 O HOH 180 -12.296 -11.195 10.718 1.00 27.75 O HETATM 1661 O HOH 181 -15.386 -9.565 -5.854 1.00 37.26 O HETATM 1662 O HOH 182 -14.372 -31.562 3.356 1.00 30.45 O HETATM 1663 O HOH 183 -7.279 -30.379 3.752 1.00 25.81 O HETATM 1664 O HOH 184 -12.628 -12.592 12.484 1.00 19.18 O HETATM 1665 O HOH 185 4.122 -7.039 24.476 1.00 37.44 O HETATM 1666 O HOH 186 -12.786 -10.304 14.736 1.00 34.92 O HETATM 1667 O HOH 187 4.862 -25.507 3.891 1.00 27.35 O HETATM 1668 O HOH 188 -10.254 -29.857 14.311 1.00 30.31 O HETATM 1669 O HOH 189 7.047 -15.841 3.202 1.00 28.86 O HETATM 1670 O HOH 190 -15.092 -0.220 -2.585 1.00 36.86 O HETATM 1671 O HOH 191 8.517 -9.719 15.919 1.00 41.68 O HETATM 1672 O HOH 192 7.101 -24.416 16.579 1.00 36.58 O HETATM 1673 O HOH 193 -0.650 -12.182 1.330 1.00 29.19 O HETATM 1674 O HOH 194 -13.298 -30.099 16.105 1.00 39.45 O HETATM 1675 O HOH 195 -26.321 -8.176 18.390 1.00 41.41 O HETATM 1676 O HOH 196 -10.639 -0.780 22.415 1.00 36.78 O HETATM 1677 O HOH 197 -10.534 -28.543 19.558 1.00 35.56 O HETATM 1678 O HOH 198 0.823 2.513 10.792 1.00 38.59 O HETATM 1679 O HOH 199 -14.594 -0.559 20.794 1.00 25.25 O HETATM 1680 O HOH 200 7.389 -0.176 19.398 1.00 33.61 O HETATM 1681 O HOH 201 -17.708 -6.272 -2.078 1.00 38.77 O HETATM 1682 O HOH 202 2.679 1.444 11.922 1.00 37.30 O HETATM 1683 O HOH 203 4.874 -12.640 16.013 1.00 33.57 O HETATM 1684 O HOH 204 -18.761 -7.967 12.913 1.00 39.08 O HETATM 1685 O HOH 205 -25.562 -26.643 15.409 1.00 31.40 O HETATM 1686 O HOH 206 3.960 -23.787 -0.375 1.00 34.97 O HETATM 1687 O HOH 207 -12.988 -30.296 0.000 1.00 36.27 O HETATM 1688 O HOH 208 -5.708 -26.817 -0.847 1.00 31.96 O HETATM 1689 O HOH 209 -23.138 -16.106 8.600 1.00 36.93 O HETATM 1690 O HOH 210 -10.424 -14.739 -2.333 1.00 36.29 O HETATM 1691 O HOH 211 -4.639 -17.388 31.700 1.00 30.66 O HETATM 1692 O HOH 212 -6.581 -30.258 16.314 1.00 45.44 O HETATM 1693 O HOH 213 2.828 -24.458 24.885 1.00 41.17 O HETATM 1694 O HOH 214 -20.230 -2.328 4.915 1.00 39.18 O HETATM 1695 O HOH 215 1.586 -23.035 -2.609 1.00 25.75 O HETATM 1696 O HOH 216 -24.392 -13.909 21.233 1.00 43.94 O HETATM 1697 O HOH 217 -22.567 -11.913 6.750 1.00 36.27 O HETATM 1698 O HOH 218 -14.118 4.048 3.885 1.00 36.04 O HETATM 1699 O HOH 219 4.642 -17.965 10.628 1.00 32.62 O HETATM 1700 O HOH 220 6.359 -14.796 11.691 1.00 38.56 O HETATM 1701 O HOH 221 -3.485 -17.656 -2.881 1.00 35.56 O HETATM 1702 O HOH 222 -24.729 -25.777 -1.252 1.00 35.07 O HETATM 1703 O HOH 223 4.299 -18.998 18.378 1.00 40.06 O HETATM 1704 O HOH 224 -10.954 -34.144 5.573 1.00 36.07 O HETATM 1705 O HOH 225 8.197 -2.546 15.351 1.00 46.34 O HETATM 1706 O HOH 226 -25.258 -12.422 2.475 1.00 29.66 O HETATM 1707 O HOH 227 -7.021 -22.506 -0.738 1.00 28.80 O HETATM 1708 O HOH 228 -22.817 -8.576 -1.871 1.00 30.10 O HETATM 1709 O HOH 229 -23.543 -4.615 15.613 1.00 46.15 O HETATM 1710 O HOH 230 -1.651 2.983 1.217 1.00 32.34 O HETATM 1711 O HOH 231 1.525 -3.685 3.178 1.00 34.22 O HETATM 1712 O HOH 232 -11.524 -26.937 24.198 1.00 41.80 O HETATM 1713 O HOH 233 -25.155 -11.674 13.084 1.00 41.33 O HETATM 1714 O HOH 234 -23.169 -17.674 22.330 1.00 35.37 O HETATM 1715 O HOH 235 6.658 -16.175 7.095 1.00 40.58 O HETATM 1716 O HOH 236 6.530 -21.384 -2.108 1.00 34.35 O HETATM 1717 O HOH 237 -22.431 -18.397 19.949 1.00 38.36 O HETATM 1718 O HOH 238 7.367 -1.861 21.817 1.00 36.67 O HETATM 1719 O HOH 239 -15.332 -0.549 6.488 1.00 31.67 O HETATM 1720 O HOH 240 -29.055 -22.245 7.932 1.00 21.12 O HETATM 1721 O HOH 241 -16.887 -25.143 26.624 1.00 40.63 O HETATM 1722 O HOH 242 -6.903 3.333 15.124 1.00 35.44 O HETATM 1723 O HOH 243 -0.537 -8.047 4.061 1.00 25.42 O HETATM 1724 O HOH 244 -15.171 3.373 10.759 1.00 43.84 O HETATM 1725 O HOH 245 5.420 -26.767 19.699 1.00 38.77 O HETATM 1726 O HOH 246 0.965 -26.313 20.156 1.00 24.92 O HETATM 1727 O HOH 247 -13.135 -13.905 -8.688 1.00 40.93 O HETATM 1728 O HOH 248 -23.349 -9.643 -4.355 1.00 28.95 O HETATM 1729 O HOH 249 -25.835 -17.905 8.954 1.00 35.34 O HETATM 1730 O HOH 250 -27.170 -18.396 10.842 1.00 34.56 O HETATM 1731 O HOH 251 -17.444 4.117 3.200 1.00 42.25 O HETATM 1732 O HOH 252 -16.046 -26.876 17.689 1.00 33.71 O HETATM 1733 O HOH 253 -17.377 -7.049 9.784 1.00 28.95 O HETATM 1734 O HOH 254 -4.246 -26.088 19.818 1.00 33.71 O HETATM 1735 O HOH 255 -4.916 3.865 9.485 1.00 37.57 O HETATM 1736 O HOH 256 -10.163 -8.425 -2.819 1.00 32.66 O HETATM 1737 O HOH 257 0.134 0.000 33.168 1.00 40.55 O HETATM 1738 O HOH 258 -8.555 -19.823 30.673 1.00 23.12 O HETATM 1739 O HOH 259 -20.805 -12.377 26.229 1.00 32.53 O HETATM 1740 O HOH 260 1.237 -24.318 21.779 1.00 38.08 O HETATM 1741 O HOH 261 -2.332 -27.306 19.263 1.00 32.94 O HETATM 1742 O HOH 262 -23.447 -9.492 0.347 1.00 30.39 O HETATM 1743 O HOH 263 10.908 -10.337 4.876 1.00 41.66 O HETATM 1744 O HOH 264 5.211 -8.447 -1.083 1.00 36.95 O HETATM 1745 O HOH 265 -1.015 -28.422 32.563 1.00 31.27 O HETATM 1746 O HOH 266 -18.209 1.394 15.671 1.00 46.10 O HETATM 1747 O HOH 267 -27.248 -11.871 1.660 1.00 36.41 O HETATM 1748 O HOH 268 -9.794 -20.134 -1.997 1.00 44.26 O HETATM 1749 O HOH 269 -6.311 -30.296 0.000 1.00 37.40 O HETATM 1750 O HOH 270 -5.958 -28.386 19.803 1.00 34.56 O HETATM 1751 O HOH 271 -11.923 -18.481 -3.164 1.00 34.48 O HETATM 1752 O HOH 272 -26.724 -10.002 0.085 1.00 33.28 O HETATM 1753 O HOH 273 2.018 0.000 0.000 1.00 31.01 O HETATM 1754 C10 BS A 8 -15.513 -12.437 9.318 1.00 0.04 C HETATM 1755 C11 BS A 8 -15.318 -13.809 9.367 1.00 0.17 C HETATM 1756 C06 BS A 8 -15.398 -14.445 10.599 1.00 0.04 C HETATM 1757 C05 BS A 8 -15.219 -15.821 10.729 1.00 0.00 C HETATM 1758 C13 BS A 8 -16.022 -16.720 10.026 1.00 -0.04 C HETATM 1759 C14 BS A 8 -15.842 -18.096 10.169 1.00 -0.01 C HETATM 1760 N15 BS A 8 -14.900 -18.549 10.985 1.00 -0.29 N HETATM 1761 C16 BS A 8 -14.085 -17.738 11.705 1.00 0.15 C HETATM 1762 C04 BS A 8 -14.230 -16.377 11.593 1.00 0.05 C HETATM 1763 N03 BS A 8 -13.285 -15.837 12.418 1.00 -0.30 N HETATM 1764 C02 BS A 8 -12.608 -16.822 12.998 1.00 0.22 C HETATM 1765 N01 BS A 8 -11.528 -16.649 13.944 1.00 -0.29 N HETATM 1766 H6 BS A 8 -11.227 -15.702 14.214 1.00 0.19 H HETATM 1767 H7 BS A 8 -11.060 -17.473 14.348 1.00 0.19 H HETATM 1768 N17 BS A 8 -13.073 -17.988 12.583 1.00 -0.21 N HETATM 1769 H8 BS A 8 -12.732 -18.916 12.871 1.00 0.23 H HETATM 1770 H5 BS A 8 -16.467 -18.789 9.618 1.00 0.07 H HETATM 1771 H2 BS A 8 -16.793 -16.346 9.362 1.00 0.06 H HETATM 1772 C07 BS A 8 -15.669 -13.684 11.724 1.00 -0.03 C HETATM 1773 C08 BS A 8 -15.848 -12.317 11.589 1.00 0.01 C HETATM 1774 N09 BS A 8 -15.769 -11.733 10.406 1.00 -0.30 N HETATM 1775 H4 BS A 8 -16.056 -11.717 12.467 1.00 0.08 H HETATM 1776 H3 BS A 8 -15.740 -14.153 12.699 1.00 0.07 H HETATM 1777 F12 BS A 8 -15.058 -14.507 8.224 1.00 -0.17 F HETATM 1778 H1 BS A 8 -15.454 -11.929 8.362 1.00 0.08 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1754 1755 1774 1778 CONECT 1755 1754 1756 1777 CONECT 1756 1755 1757 1772 CONECT 1757 1756 1758 1762 CONECT 1758 1757 1759 1771 CONECT 1759 1758 1760 1770 CONECT 1760 1759 1761 CONECT 1761 1760 1762 1768 CONECT 1762 1757 1761 1763 CONECT 1763 1762 1764 CONECT 1764 1763 1765 1768 CONECT 1765 1764 1766 1767 CONECT 1766 1765 CONECT 1767 1765 CONECT 1768 1761 1764 1769 CONECT 1769 1768 CONECT 1770 1759 CONECT 1771 1758 CONECT 1772 1756 1773 1776 CONECT 1773 1772 1774 1775 CONECT 1774 1754 1773 CONECT 1775 1773 CONECT 1776 1772 CONECT 1777 1755 CONECT 1778 1754 MASTER 0 0 0 0 0 0 0 0 1777 1 29 12 END
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Related entries of code: 6eq7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3whw
RCSB PDB
PDBbind
156aa, >3WHW_1|Chains... at 100%
4c9w
RCSB PDB
PDBbind
158aa, >4C9W_1|Chain... at 100%
4c9x
RCSB PDB
PDBbind
158aa, >4C9X_1|Chain... at 100%
4n1t
RCSB PDB
PDBbind
159aa, >4N1T_1|Chain... at 98%
4n1u
RCSB PDB
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%
5anv
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%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6eq7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
7,8-dihydro-8-oxoguanine triphosphatase
Ligand Name
BS8
EC.Number
E.C.3.6.1.55;3.6.1.56
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.1uM
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
1
1
H
8
FN
5
Molecular Weight
229.213
Exact Mass
229.076
No. of atoms
25
No. of bonds
27
Polar Surface Area
80.48
LOGP Value
1.06 (
Computed with XLOGP3
)
2.32 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Fc1cnccc1c1ccnc2c1nc([nH]2)N
InChI String
InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)
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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