Browse entries in the PDBbind-CN Database
HEADER 5WZS_COMPLEX COMPND 5WZS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASN LEU VAL GLN PHE GLY VAL MET ILE GLU LYS MET THR SEQRES 2 A 123 GLY LYS SER ALA LEU GLN TYR ASN ASP TYR GLY CYS TYR SEQRES 3 A 123 CYS GLY ILE GLY GLY SER HIS TRP PRO VAL ASP GLN THR SEQRES 4 A 123 ASP TRP CYS CYS HIS ALA HIS ASP CYS CYS TYR GLY ARG SEQRES 5 A 123 LEU GLU LYS LEU GLY CYS GLU PRO LYS LEU GLU LYS TYR SEQRES 6 A 123 LEU PHE SER VAL SER GLU ARG GLY ILE PHE CYS ALA GLY SEQRES 7 A 123 ARG THR THR CYS GLN ARG LEU THR CYS GLU CYS ASP LYS SEQRES 8 A 123 ARG ALA ALA LEU CYS PHE ARG ARG ASN LEU GLY THR TYR SEQRES 9 A 123 ASN ARG LYS TYR ALA HIS TYR PRO ASN LYS LEU CYS THR SEQRES 10 A 123 GLY PRO THR PRO PRO CYS HET CA A 1 1 HET UNN A 191 50 SSBOND 1 CYS A 27 CYS A 43 SSBOND 2 CYS A 58 CYS A 82 SSBOND 3 CYS A 76 CYS A 87 SSBOND 4 CYS A 49 CYS A 89 SSBOND 5 CYS A 42 CYS A 96 SSBOND 6 CYS A 25 CYS A 116 SSBOND 7 CYS A 48 CYS A 123 ATOM 1 N ASN A 1 -12.994 -17.338 1.485 1.00 69.31 N ATOM 2 CA ASN A 1 -13.663 -17.953 2.678 1.00 68.27 C ATOM 3 C ASN A 1 -12.632 -18.173 3.823 1.00 66.59 C ATOM 4 O ASN A 1 -11.863 -17.249 4.105 1.00 67.92 O ATOM 5 CB ASN A 1 -14.462 -19.214 2.264 1.00 68.55 C ATOM 6 CG ASN A 1 -15.579 -19.563 3.244 1.00 68.33 C ATOM 7 OD1 ASN A 1 -16.276 -18.687 3.760 1.00 66.79 O ATOM 8 ND2 ASN A 1 -15.770 -20.857 3.482 1.00 67.36 N ATOM 9 HD22 ASN A 1 -15.160 -21.565 3.026 1.00 0.00 H ATOM 10 HD21 ASN A 1 -16.530 -21.161 4.124 1.00 0.00 H ATOM 11 HN3 ASN A 1 -12.241 -17.970 1.147 1.00 0.00 H ATOM 12 HN2 ASN A 1 -12.584 -16.421 1.754 1.00 0.00 H ATOM 13 HN1 ASN A 1 -13.695 -17.198 0.730 1.00 0.00 H ATOM 14 N LEU A 2 -12.581 -19.354 4.453 1.00 62.54 N ATOM 15 CA LEU A 2 -11.886 -19.526 5.752 1.00 59.91 C ATOM 16 C LEU A 2 -10.393 -19.911 5.704 1.00 55.01 C ATOM 17 O LEU A 2 -9.759 -20.024 6.761 1.00 50.69 O ATOM 18 CB LEU A 2 -12.633 -20.571 6.608 1.00 61.46 C ATOM 19 CG LEU A 2 -13.944 -20.147 7.278 1.00 61.96 C ATOM 20 CD1 LEU A 2 -14.596 -21.354 7.944 1.00 61.76 C ATOM 21 CD2 LEU A 2 -13.710 -19.028 8.288 1.00 61.42 C ATOM 22 H LEU A 2 -13.044 -20.177 4.017 1.00 0.00 H ATOM 23 N VAL A 3 -9.826 -20.075 4.507 1.00 51.56 N ATOM 24 CA VAL A 3 -8.502 -20.716 4.358 1.00 47.29 C ATOM 25 C VAL A 3 -7.380 -19.873 4.983 1.00 41.41 C ATOM 26 O VAL A 3 -6.577 -20.382 5.773 1.00 40.13 O ATOM 27 CB VAL A 3 -8.180 -21.038 2.873 1.00 49.81 C ATOM 28 CG1 VAL A 3 -6.813 -21.719 2.741 1.00 49.81 C ATOM 29 CG2 VAL A 3 -9.278 -21.915 2.264 1.00 50.66 C ATOM 30 H VAL A 3 -10.328 -19.744 3.658 1.00 0.00 H ATOM 31 N GLN A 4 -7.377 -18.578 4.662 1.00 36.76 N ATOM 32 CA GLN A 4 -6.324 -17.675 5.125 1.00 33.87 C ATOM 33 C GLN A 4 -6.383 -17.481 6.644 1.00 31.12 C ATOM 34 O GLN A 4 -5.347 -17.501 7.315 1.00 30.38 O ATOM 35 CB GLN A 4 -6.398 -16.332 4.387 1.00 34.29 C ATOM 36 CG GLN A 4 -6.036 -16.410 2.905 1.00 33.70 C ATOM 37 CD GLN A 4 -4.539 -16.367 2.649 1.00 33.87 C ATOM 38 OE1 GLN A 4 -3.735 -16.820 3.463 1.00 34.15 O ATOM 39 NE2 GLN A 4 -4.159 -15.817 1.509 1.00 34.51 N ATOM 40 HE22 GLN A 4 -4.871 -15.446 0.848 1.00 0.00 H ATOM 41 HE21 GLN A 4 -3.148 -15.755 1.273 1.00 0.00 H ATOM 42 H GLN A 4 -8.143 -18.201 4.068 1.00 0.00 H ATOM 43 N PHE A 5 -7.589 -17.322 7.185 1.00 27.52 N ATOM 44 CA PHE A 5 -7.771 -17.146 8.640 1.00 25.39 C ATOM 45 C PHE A 5 -7.276 -18.366 9.425 1.00 23.28 C ATOM 46 O PHE A 5 -6.547 -18.227 10.399 1.00 21.14 O ATOM 47 CB PHE A 5 -9.242 -16.836 8.943 1.00 24.45 C ATOM 48 CG PHE A 5 -9.540 -16.508 10.390 1.00 24.30 C ATOM 49 CD1 PHE A 5 -8.633 -15.824 11.207 1.00 23.67 C ATOM 50 CD2 PHE A 5 -10.762 -16.874 10.933 1.00 24.30 C ATOM 51 CE1 PHE A 5 -8.946 -15.538 12.528 1.00 23.64 C ATOM 52 CE2 PHE A 5 -11.077 -16.585 12.254 1.00 24.20 C ATOM 53 CZ PHE A 5 -10.173 -15.915 13.052 1.00 23.39 C ATOM 54 H PHE A 5 -8.425 -17.322 6.567 1.00 0.00 H ATOM 55 N GLY A 6 -7.645 -19.557 8.952 1.00 24.12 N ATOM 56 CA GLY A 6 -7.141 -20.824 9.482 1.00 23.67 C ATOM 57 C GLY A 6 -5.637 -20.909 9.470 1.00 24.31 C ATOM 58 O GLY A 6 -5.029 -21.356 10.451 1.00 25.63 O ATOM 59 H GLY A 6 -8.326 -19.587 8.166 1.00 0.00 H ATOM 60 N VAL A 7 -5.023 -20.469 8.373 1.00 23.97 N ATOM 61 CA VAL A 7 -3.566 -20.442 8.298 1.00 24.76 C ATOM 62 C VAL A 7 -3.013 -19.449 9.327 1.00 24.06 C ATOM 63 O VAL A 7 -2.056 -19.759 10.039 1.00 24.04 O ATOM 64 CB VAL A 7 -3.043 -20.127 6.869 1.00 26.10 C ATOM 65 CG1 VAL A 7 -1.522 -19.940 6.861 1.00 25.90 C ATOM 66 CG2 VAL A 7 -3.433 -21.236 5.890 1.00 26.22 C ATOM 67 H VAL A 7 -5.587 -20.142 7.563 1.00 0.00 H ATOM 68 N MET A 8 -3.625 -18.269 9.413 1.00 24.12 N ATOM 69 CA MET A 8 -3.194 -17.255 10.384 1.00 23.69 C ATOM 70 C MET A 8 -3.296 -17.786 11.821 1.00 23.75 C ATOM 71 O MET A 8 -2.363 -17.626 12.603 1.00 22.87 O ATOM 72 CB MET A 8 -4.017 -15.984 10.222 1.00 23.85 C ATOM 73 CG MET A 8 -3.474 -14.775 10.962 1.00 23.88 C ATOM 74 SD MET A 8 -4.576 -13.362 10.758 1.00 23.31 S ATOM 75 CE MET A 8 -4.141 -12.847 9.100 1.00 24.41 C ATOM 76 H MET A 8 -4.424 -18.062 8.780 1.00 0.00 H ATOM 77 N ILE A 9 -4.407 -18.445 12.150 1.00 24.67 N ATOM 78 CA ILE A 9 -4.601 -18.999 13.501 1.00 25.80 C ATOM 79 C ILE A 9 -3.495 -19.995 13.844 1.00 27.57 C ATOM 80 O ILE A 9 -2.846 -19.878 14.895 1.00 27.87 O ATOM 81 CB ILE A 9 -5.993 -19.646 13.664 1.00 25.54 C ATOM 82 CG1 ILE A 9 -7.075 -18.556 13.656 1.00 24.80 C ATOM 83 CG2 ILE A 9 -6.079 -20.445 14.966 1.00 25.65 C ATOM 84 CD1 ILE A 9 -8.434 -19.065 13.260 1.00 24.80 C ATOM 85 H ILE A 9 -5.154 -18.571 11.437 1.00 0.00 H ATOM 86 N GLU A 10 -3.259 -20.938 12.939 1.00 30.72 N ATOM 87 CA GLU A 10 -2.221 -21.955 13.139 1.00 33.80 C ATOM 88 C GLU A 10 -0.843 -21.338 13.341 1.00 33.01 C ATOM 89 O GLU A 10 -0.139 -21.693 14.280 1.00 31.99 O ATOM 90 CB GLU A 10 -2.233 -22.981 11.998 1.00 37.87 C ATOM 91 CG GLU A 10 -3.468 -23.878 12.047 1.00 42.18 C ATOM 92 CD GLU A 10 -3.760 -24.653 10.769 1.00 46.01 C ATOM 93 OE1 GLU A 10 -4.916 -24.574 10.279 1.00 47.86 O ATOM 94 OE2 GLU A 10 -2.844 -25.351 10.270 1.00 47.57 O ATOM 95 H GLU A 10 -3.825 -20.956 12.066 1.00 0.00 H ATOM 96 N LYS A 11 -0.486 -20.380 12.497 1.00 34.49 N ATOM 97 CA LYS A 11 0.795 -19.677 12.649 1.00 35.82 C ATOM 98 C LYS A 11 0.939 -18.978 14.001 1.00 33.90 C ATOM 99 O LYS A 11 1.986 -19.071 14.622 1.00 34.57 O ATOM 100 CB LYS A 11 1.042 -18.685 11.496 1.00 38.19 C ATOM 101 CG LYS A 11 1.926 -19.254 10.393 1.00 41.47 C ATOM 102 CD LYS A 11 1.994 -18.346 9.168 1.00 44.15 C ATOM 103 CE LYS A 11 3.236 -18.606 8.319 1.00 46.45 C ATOM 104 NZ LYS A 11 3.441 -20.055 8.018 1.00 48.00 N ATOM 105 HZ1 LYS A 11 3.549 -20.581 8.909 1.00 0.00 H ATOM 106 HZ2 LYS A 11 2.618 -20.419 7.497 1.00 0.00 H ATOM 107 HZ3 LYS A 11 4.298 -20.170 7.440 1.00 0.00 H ATOM 108 H LYS A 11 -1.122 -20.122 11.716 1.00 0.00 H ATOM 109 N MET A 12 -0.107 -18.296 14.461 1.00 33.35 N ATOM 110 CA MET A 12 -0.027 -17.523 15.707 1.00 32.66 C ATOM 111 C MET A 12 -0.234 -18.331 16.987 1.00 31.47 C ATOM 112 O MET A 12 0.239 -17.917 18.037 1.00 30.34 O ATOM 113 CB MET A 12 -1.038 -16.365 15.694 1.00 33.80 C ATOM 114 CG MET A 12 -0.901 -15.374 14.547 1.00 34.32 C ATOM 115 SD MET A 12 0.788 -14.866 14.193 1.00 35.67 S ATOM 116 CE MET A 12 1.225 -14.063 15.719 1.00 34.70 C ATOM 117 H MET A 12 -0.999 -18.311 13.927 1.00 0.00 H ATOM 118 N THR A 13 -0.954 -19.448 16.925 1.00 31.95 N ATOM 119 CA THR A 13 -1.266 -20.214 18.146 1.00 33.77 C ATOM 120 C THR A 13 -0.579 -21.578 18.273 1.00 35.78 C ATOM 121 O THR A 13 -0.596 -22.164 19.355 1.00 38.63 O ATOM 122 CB THR A 13 -2.783 -20.450 18.291 1.00 31.07 C ATOM 123 OG1 THR A 13 -3.247 -21.247 17.202 1.00 30.05 O ATOM 124 CG2 THR A 13 -3.530 -19.140 18.310 1.00 30.80 C ATOM 125 HG1 THR A 13 -3.066 -20.777 16.350 1.00 0.00 H ATOM 126 H THR A 13 -1.301 -19.785 16.004 1.00 0.00 H ATOM 127 N GLY A 14 -0.020 -22.105 17.186 1.00 36.28 N ATOM 128 CA GLY A 14 0.512 -23.468 17.187 1.00 36.36 C ATOM 129 C GLY A 14 -0.530 -24.585 17.213 1.00 37.43 C ATOM 130 O GLY A 14 -0.158 -25.757 17.249 1.00 39.46 O ATOM 131 H GLY A 14 0.040 -21.536 16.318 1.00 0.00 H ATOM 132 N LYS A 15 -1.824 -24.237 17.183 1.00 35.42 N ATOM 133 CA LYS A 15 -2.913 -25.210 17.167 1.00 33.94 C ATOM 134 C LYS A 15 -3.569 -25.190 15.808 1.00 33.59 C ATOM 135 O LYS A 15 -3.515 -24.186 15.112 1.00 34.24 O ATOM 136 CB LYS A 15 -3.997 -24.846 18.184 1.00 33.62 C ATOM 137 CG LYS A 15 -3.537 -24.692 19.618 1.00 33.98 C ATOM 138 CD LYS A 15 -4.744 -24.557 20.537 1.00 34.49 C ATOM 139 CE LYS A 15 -4.380 -23.982 21.890 1.00 33.69 C ATOM 140 NZ LYS A 15 -3.404 -24.824 22.617 1.00 34.83 N ATOM 141 HZ1 LYS A 15 -3.809 -25.770 22.768 1.00 0.00 H ATOM 142 HZ2 LYS A 15 -2.532 -24.904 22.056 1.00 0.00 H ATOM 143 HZ3 LYS A 15 -3.188 -24.387 23.536 1.00 0.00 H ATOM 144 H LYS A 15 -2.064 -23.225 17.171 1.00 0.00 H ATOM 145 N SER A 16 -4.231 -26.285 15.457 1.00 33.33 N ATOM 146 CA SER A 16 -5.091 -26.313 14.282 1.00 33.96 C ATOM 147 C SER A 16 -6.278 -25.347 14.452 1.00 34.05 C ATOM 148 O SER A 16 -6.777 -25.153 15.553 1.00 32.32 O ATOM 149 CB SER A 16 -5.601 -27.732 14.033 1.00 34.27 C ATOM 150 OG SER A 16 -6.590 -27.726 13.020 1.00 36.21 O ATOM 151 HG SER A 16 -6.911 -28.650 12.869 1.00 0.00 H ATOM 152 H SER A 16 -4.133 -27.144 16.035 1.00 0.00 H ATOM 153 N ALA A 17 -6.731 -24.760 13.352 1.00 35.17 N ATOM 154 CA ALA A 17 -7.929 -23.906 13.358 1.00 36.72 C ATOM 155 C ALA A 17 -9.210 -24.650 13.770 1.00 38.92 C ATOM 156 O ALA A 17 -10.192 -24.017 14.185 1.00 36.88 O ATOM 157 CB ALA A 17 -8.123 -23.274 11.994 1.00 36.87 C ATOM 158 H ALA A 17 -6.223 -24.908 12.457 1.00 0.00 H ATOM 159 N LEU A 18 -9.195 -25.980 13.630 1.00 40.66 N ATOM 160 CA LEU A 18 -10.251 -26.859 14.141 1.00 42.28 C ATOM 161 C LEU A 18 -10.443 -26.747 15.650 1.00 40.13 C ATOM 162 O LEU A 18 -11.556 -26.924 16.130 1.00 41.80 O ATOM 163 CB LEU A 18 -9.955 -28.334 13.798 1.00 45.30 C ATOM 164 CG LEU A 18 -9.820 -28.757 12.328 1.00 47.24 C ATOM 165 CD1 LEU A 18 -9.785 -30.275 12.243 1.00 48.35 C ATOM 166 CD2 LEU A 18 -10.934 -28.192 11.456 1.00 46.64 C ATOM 167 H LEU A 18 -8.391 -26.414 13.132 1.00 0.00 H ATOM 168 N GLN A 19 -9.364 -26.469 16.382 1.00 38.68 N ATOM 169 CA GLN A 19 -9.425 -26.275 17.835 1.00 38.60 C ATOM 170 C GLN A 19 -10.168 -25.010 18.276 1.00 37.97 C ATOM 171 O GLN A 19 -10.550 -24.905 19.441 1.00 38.37 O ATOM 172 CB GLN A 19 -8.024 -26.285 18.457 1.00 39.04 C ATOM 173 CG GLN A 19 -7.376 -27.664 18.536 1.00 40.30 C ATOM 174 CD GLN A 19 -6.396 -27.794 19.698 1.00 43.14 C ATOM 175 OE1 GLN A 19 -5.185 -27.845 19.496 1.00 43.11 O ATOM 176 NE2 GLN A 19 -6.922 -27.843 20.929 1.00 45.80 N ATOM 177 HE22 GLN A 19 -7.953 -27.797 21.056 1.00 0.00 H ATOM 178 HE21 GLN A 19 -6.299 -27.927 21.758 1.00 0.00 H ATOM 179 H GLN A 19 -8.444 -26.386 15.905 1.00 0.00 H ATOM 180 N TYR A 20 -10.346 -24.055 17.365 1.00 36.61 N ATOM 181 CA TYR A 20 -11.146 -22.862 17.611 1.00 36.92 C ATOM 182 C TYR A 20 -12.507 -22.911 16.922 1.00 40.95 C ATOM 183 O TYR A 20 -13.243 -21.940 16.961 1.00 41.97 O ATOM 184 CB TYR A 20 -10.376 -21.616 17.172 1.00 33.68 C ATOM 185 CG TYR A 20 -9.161 -21.364 18.022 1.00 30.86 C ATOM 186 CD1 TYR A 20 -7.934 -21.967 17.718 1.00 28.98 C ATOM 187 CD2 TYR A 20 -9.233 -20.539 19.139 1.00 28.30 C ATOM 188 CE1 TYR A 20 -6.816 -21.742 18.500 1.00 28.21 C ATOM 189 CE2 TYR A 20 -8.118 -20.308 19.932 1.00 27.88 C ATOM 190 CZ TYR A 20 -6.914 -20.913 19.614 1.00 27.78 C ATOM 191 OH TYR A 20 -5.813 -20.683 20.393 1.00 26.46 O ATOM 192 HH TYR A 20 -5.997 -20.981 21.319 1.00 0.00 H ATOM 193 H TYR A 20 -9.893 -24.166 16.435 1.00 0.00 H ATOM 194 N ASN A 21 -12.843 -24.035 16.299 1.00 47.10 N ATOM 195 CA ASN A 21 -14.155 -24.216 15.685 1.00 48.25 C ATOM 196 C ASN A 21 -15.091 -24.769 16.751 1.00 47.14 C ATOM 197 O ASN A 21 -14.740 -25.719 17.464 1.00 48.92 O ATOM 198 CB ASN A 21 -14.057 -25.181 14.502 1.00 52.07 C ATOM 199 CG ASN A 21 -15.377 -25.345 13.757 1.00 55.00 C ATOM 200 OD1 ASN A 21 -15.889 -26.461 13.643 1.00 58.45 O ATOM 201 ND2 ASN A 21 -15.935 -24.243 13.246 1.00 55.53 N ATOM 202 HD22 ASN A 21 -15.469 -23.321 13.365 1.00 0.00 H ATOM 203 HD21 ASN A 21 -16.835 -24.308 12.729 1.00 0.00 H ATOM 204 H ASN A 21 -12.151 -24.809 16.247 1.00 0.00 H ATOM 205 N ASP A 22 -16.265 -24.147 16.865 1.00 45.76 N ATOM 206 CA ASP A 22 -17.251 -24.437 17.914 1.00 44.11 C ATOM 207 C ASP A 22 -16.705 -24.294 19.325 1.00 39.69 C ATOM 208 O ASP A 22 -17.237 -24.898 20.260 1.00 43.51 O ATOM 209 CB ASP A 22 -17.867 -25.826 17.733 1.00 46.10 C ATOM 210 CG ASP A 22 -18.553 -25.981 16.420 1.00 48.88 C ATOM 211 OD1 ASP A 22 -19.004 -24.962 15.850 1.00 54.18 O ATOM 212 OD2 ASP A 22 -18.648 -27.132 15.962 1.00 52.51 O ATOM 213 H ASP A 22 -16.497 -23.411 16.168 1.00 0.00 H ATOM 214 N TYR A 23 -15.673 -23.477 19.495 1.00 34.34 N ATOM 215 CA TYR A 23 -15.135 -23.230 20.819 1.00 30.81 C ATOM 216 C TYR A 23 -16.087 -22.291 21.532 1.00 29.74 C ATOM 217 O TYR A 23 -16.485 -21.255 20.982 1.00 30.29 O ATOM 218 CB TYR A 23 -13.750 -22.618 20.744 1.00 28.99 C ATOM 219 CG TYR A 23 -13.075 -22.476 22.081 1.00 27.32 C ATOM 220 CD1 TYR A 23 -13.294 -21.353 22.880 1.00 25.66 C ATOM 221 CD2 TYR A 23 -12.199 -23.453 22.543 1.00 26.49 C ATOM 222 CE1 TYR A 23 -12.653 -21.210 24.104 1.00 25.28 C ATOM 223 CE2 TYR A 23 -11.561 -23.324 23.770 1.00 26.39 C ATOM 224 CZ TYR A 23 -11.781 -22.199 24.547 1.00 25.62 C ATOM 225 OH TYR A 23 -11.136 -22.083 25.765 1.00 26.07 O ATOM 226 HH TYR A 23 -11.396 -21.230 26.195 1.00 0.00 H ATOM 227 H TYR A 23 -15.246 -23.009 18.670 1.00 0.00 H ATOM 228 N GLY A 24 -16.474 -22.677 22.739 1.00 27.88 N ATOM 229 CA GLY A 24 -17.343 -21.864 23.564 1.00 27.30 C ATOM 230 C GLY A 24 -18.629 -21.513 22.852 1.00 26.30 C ATOM 231 O GLY A 24 -19.179 -22.319 22.096 1.00 25.95 O ATOM 232 H GLY A 24 -16.143 -23.592 23.105 1.00 0.00 H ATOM 233 N CYS A 25 -19.083 -20.286 23.085 1.00 26.08 N ATOM 234 CA CYS A 25 -20.355 -19.810 22.582 1.00 25.62 C ATOM 235 C CYS A 25 -20.260 -18.906 21.362 1.00 26.05 C ATOM 236 O CYS A 25 -21.286 -18.639 20.746 1.00 27.14 O ATOM 237 CB CYS A 25 -21.097 -19.119 23.734 1.00 26.33 C ATOM 238 SG CYS A 25 -21.549 -20.295 25.044 1.00 24.98 S ATOM 239 H CYS A 25 -18.499 -19.639 23.653 1.00 0.00 H ATOM 240 N TYR A 26 -19.057 -18.445 20.995 1.00 26.11 N ATOM 241 CA TYR A 26 -18.906 -17.534 19.854 1.00 26.65 C ATOM 242 C TYR A 26 -18.019 -18.003 18.703 1.00 26.04 C ATOM 243 O TYR A 26 -18.221 -17.546 17.593 1.00 25.35 O ATOM 244 CB TYR A 26 -18.501 -16.132 20.330 1.00 27.25 C ATOM 245 CG TYR A 26 -19.681 -15.420 20.911 1.00 28.02 C ATOM 246 CD1 TYR A 26 -20.584 -14.762 20.088 1.00 29.17 C ATOM 247 CD2 TYR A 26 -19.945 -15.476 22.273 1.00 29.04 C ATOM 248 CE1 TYR A 26 -21.712 -14.141 20.610 1.00 30.62 C ATOM 249 CE2 TYR A 26 -21.064 -14.864 22.811 1.00 30.36 C ATOM 250 CZ TYR A 26 -21.948 -14.196 21.974 1.00 30.67 C ATOM 251 OH TYR A 26 -23.056 -13.577 22.485 1.00 30.55 O ATOM 252 HH TYR A 26 -23.625 -14.246 22.942 1.00 0.00 H ATOM 253 H TYR A 26 -18.214 -18.738 21.529 1.00 0.00 H ATOM 254 N CYS A 27 -17.066 -18.897 18.940 1.00 26.17 N ATOM 255 CA CYS A 27 -16.164 -19.325 17.878 1.00 26.27 C ATOM 256 C CYS A 27 -16.838 -20.367 16.972 1.00 28.98 C ATOM 257 O CYS A 27 -17.283 -21.413 17.440 1.00 29.44 O ATOM 258 CB CYS A 27 -14.878 -19.874 18.463 1.00 24.46 C ATOM 259 SG CYS A 27 -14.051 -18.786 19.636 1.00 23.37 S ATOM 260 H CYS A 27 -16.962 -19.296 19.895 1.00 0.00 H ATOM 261 N GLY A 28 -16.899 -20.074 15.675 1.00 31.90 N ATOM 262 CA GLY A 28 -17.689 -20.856 14.716 1.00 34.00 C ATOM 263 C GLY A 28 -18.800 -19.962 14.223 1.00 36.13 C ATOM 264 O GLY A 28 -18.864 -18.797 14.616 1.00 37.64 O ATOM 265 H GLY A 28 -16.363 -19.254 15.325 1.00 0.00 H ATOM 266 N ILE A 29 -19.675 -20.480 13.369 1.00 38.80 N ATOM 267 CA ILE A 29 -20.709 -19.630 12.762 1.00 43.78 C ATOM 268 C ILE A 29 -21.689 -19.088 13.817 1.00 42.89 C ATOM 269 O ILE A 29 -22.103 -19.818 14.722 1.00 43.96 O ATOM 270 CB ILE A 29 -21.479 -20.324 11.603 1.00 46.82 C ATOM 271 CG1 ILE A 29 -22.205 -21.609 12.058 1.00 48.93 C ATOM 272 CG2 ILE A 29 -20.529 -20.616 10.443 1.00 48.15 C ATOM 273 CD1 ILE A 29 -23.563 -21.803 11.397 1.00 50.48 C ATOM 274 H ILE A 29 -19.628 -21.491 13.129 1.00 0.00 H ATOM 275 N GLY A 30 -22.025 -17.804 13.707 1.00 41.70 N ATOM 276 CA GLY A 30 -22.932 -17.155 14.649 1.00 42.39 C ATOM 277 C GLY A 30 -22.363 -17.094 16.061 1.00 42.43 C ATOM 278 O GLY A 30 -21.167 -16.858 16.249 1.00 41.55 O ATOM 279 H GLY A 30 -21.628 -17.245 12.925 1.00 0.00 H ATOM 280 N GLY A 31 -23.220 -17.336 17.046 1.00 41.40 N ATOM 281 CA GLY A 31 -22.857 -17.215 18.450 1.00 41.61 C ATOM 282 C GLY A 31 -23.885 -16.372 19.175 1.00 40.75 C ATOM 283 O GLY A 31 -24.560 -15.551 18.571 1.00 40.24 O ATOM 284 H GLY A 31 -24.190 -17.624 16.804 1.00 0.00 H ATOM 285 N SER A 32 -24.005 -16.598 20.475 1.00 40.25 N ATOM 286 CA SER A 32 -25.023 -15.948 21.303 1.00 38.88 C ATOM 287 C SER A 32 -24.732 -16.191 22.772 1.00 35.76 C ATOM 288 O SER A 32 -23.865 -16.996 23.110 1.00 31.57 O ATOM 289 CB SER A 32 -26.417 -16.488 20.975 1.00 40.64 C ATOM 290 OG SER A 32 -26.491 -17.886 21.228 1.00 41.88 O ATOM 291 HG SER A 32 -27.400 -18.212 21.009 1.00 0.00 H ATOM 292 H SER A 32 -23.348 -17.266 20.927 1.00 0.00 H ATOM 293 N HIS A 33 -25.466 -15.478 23.629 1.00 35.59 N ATOM 294 CA HIS A 33 -25.384 -15.617 25.093 1.00 34.17 C ATOM 295 C HIS A 33 -24.031 -15.099 25.600 1.00 31.78 C ATOM 296 O HIS A 33 -23.404 -14.311 24.910 1.00 32.45 O ATOM 297 CB HIS A 33 -25.724 -17.055 25.537 1.00 35.61 C ATOM 298 CG HIS A 33 -27.090 -17.512 25.116 1.00 38.46 C ATOM 299 ND1 HIS A 33 -28.245 -17.082 25.739 1.00 40.08 N ATOM 300 CD2 HIS A 33 -27.486 -18.371 24.146 1.00 39.53 C ATOM 301 CE1 HIS A 33 -29.291 -17.648 25.164 1.00 40.11 C ATOM 302 NE2 HIS A 33 -28.858 -18.435 24.195 1.00 40.80 N ATOM 303 H HIS A 33 -26.135 -14.783 23.240 1.00 0.00 H ATOM 304 N TRP A 34 -23.601 -15.456 26.810 1.00 30.61 N ATOM 305 CA TRP A 34 -22.396 -14.851 27.380 1.00 29.17 C ATOM 306 C TRP A 34 -21.162 -15.694 27.040 1.00 29.93 C ATOM 307 O TRP A 34 -21.210 -16.918 27.185 1.00 29.95 O ATOM 308 CB TRP A 34 -22.519 -14.697 28.894 1.00 27.49 C ATOM 309 CG TRP A 34 -21.606 -13.636 29.441 1.00 25.98 C ATOM 310 CD1 TRP A 34 -20.416 -13.825 30.077 1.00 25.07 C ATOM 311 CD2 TRP A 34 -21.816 -12.221 29.393 1.00 25.33 C ATOM 312 NE1 TRP A 34 -19.870 -12.615 30.426 1.00 25.13 N ATOM 313 CE2 TRP A 34 -20.712 -11.614 30.019 1.00 25.38 C ATOM 314 CE3 TRP A 34 -22.840 -11.407 28.891 1.00 26.06 C ATOM 315 CZ2 TRP A 34 -20.600 -10.228 30.160 1.00 26.03 C ATOM 316 CZ3 TRP A 34 -22.727 -10.023 29.024 1.00 25.75 C ATOM 317 CH2 TRP A 34 -21.615 -9.450 29.649 1.00 25.94 C ATOM 318 HE1 TRP A 34 -18.964 -12.480 30.919 1.00 0.00 H ATOM 319 H TRP A 34 -24.126 -16.170 27.354 1.00 0.00 H ATOM 320 N PRO A 35 -20.061 -15.049 26.592 1.00 29.45 N ATOM 321 CA PRO A 35 -18.821 -15.764 26.297 1.00 29.02 C ATOM 322 C PRO A 35 -18.296 -16.536 27.499 1.00 27.35 C ATOM 323 O PRO A 35 -18.329 -16.014 28.603 1.00 26.66 O ATOM 324 CB PRO A 35 -17.844 -14.629 25.931 1.00 29.41 C ATOM 325 CG PRO A 35 -18.723 -13.563 25.386 1.00 29.58 C ATOM 326 CD PRO A 35 -19.928 -13.611 26.270 1.00 30.12 C ATOM 327 N VAL A 36 -17.817 -17.758 27.269 1.00 25.68 N ATOM 328 CA VAL A 36 -17.351 -18.624 28.361 1.00 25.30 C ATOM 329 C VAL A 36 -15.999 -18.221 28.944 1.00 24.74 C ATOM 330 O VAL A 36 -15.736 -18.515 30.100 1.00 25.86 O ATOM 331 CB VAL A 36 -17.271 -20.128 27.955 1.00 24.99 C ATOM 332 CG1 VAL A 36 -18.626 -20.648 27.493 1.00 24.72 C ATOM 333 CG2 VAL A 36 -16.195 -20.382 26.899 1.00 24.94 C ATOM 334 H VAL A 36 -17.772 -18.108 26.291 1.00 0.00 H ATOM 335 N ASP A 37 -15.137 -17.598 28.139 1.00 23.83 N ATOM 336 CA ASP A 37 -13.773 -17.252 28.555 1.00 23.37 C ATOM 337 C ASP A 37 -13.143 -16.222 27.581 1.00 23.51 C ATOM 338 O ASP A 37 -13.798 -15.803 26.621 1.00 22.37 O ATOM 339 CB ASP A 37 -12.897 -18.531 28.725 1.00 23.04 C ATOM 340 CG ASP A 37 -12.445 -19.165 27.394 1.00 22.99 C ATOM 341 OD1 ASP A 37 -12.729 -18.615 26.300 1.00 22.39 O ATOM 342 OD2 ASP A 37 -11.783 -20.238 27.450 1.00 22.93 O ATOM 343 H ASP A 37 -15.444 -17.347 27.178 1.00 0.00 H ATOM 344 N GLN A 38 -11.878 -15.848 27.823 1.00 24.30 N ATOM 345 CA GLN A 38 -11.191 -14.791 27.052 1.00 25.57 C ATOM 346 C GLN A 38 -11.043 -15.132 25.566 1.00 24.61 C ATOM 347 O GLN A 38 -11.311 -14.293 24.705 1.00 24.79 O ATOM 348 CB GLN A 38 -9.815 -14.457 27.659 1.00 27.10 C ATOM 349 CG GLN A 38 -9.901 -13.784 29.022 1.00 29.03 C ATOM 350 CD GLN A 38 -10.592 -12.428 28.951 1.00 31.79 C ATOM 351 OE1 GLN A 38 -11.747 -12.283 29.362 1.00 33.14 O ATOM 352 NE2 GLN A 38 -9.904 -11.441 28.383 1.00 33.43 N ATOM 353 HE22 GLN A 38 -8.933 -11.608 28.051 1.00 0.00 H ATOM 354 HE21 GLN A 38 -10.337 -10.502 28.271 1.00 0.00 H ATOM 355 H GLN A 38 -11.357 -16.323 28.588 1.00 0.00 H ATOM 356 N THR A 39 -10.643 -16.366 25.278 1.00 22.39 N ATOM 357 CA THR A 39 -10.647 -16.882 23.904 1.00 21.77 C ATOM 358 C THR A 39 -12.006 -16.666 23.211 1.00 21.76 C ATOM 359 O THR A 39 -12.056 -16.238 22.054 1.00 21.74 O ATOM 360 CB THR A 39 -10.221 -18.368 23.892 1.00 20.79 C ATOM 361 OG1 THR A 39 -8.841 -18.447 24.274 1.00 19.37 O ATOM 362 CG2 THR A 39 -10.428 -19.038 22.517 1.00 20.13 C ATOM 363 HG1 THR A 39 -8.729 -18.070 25.182 1.00 0.00 H ATOM 364 H THR A 39 -10.318 -16.984 26.049 1.00 0.00 H ATOM 365 N ASP A 40 -13.094 -16.946 23.927 1.00 22.03 N ATOM 366 CA ASP A 40 -14.448 -16.806 23.380 1.00 21.91 C ATOM 367 C ASP A 40 -14.767 -15.324 23.111 1.00 21.72 C ATOM 368 O ASP A 40 -15.401 -15.001 22.109 1.00 20.81 O ATOM 369 CB ASP A 40 -15.485 -17.425 24.340 1.00 22.26 C ATOM 370 CG ASP A 40 -16.725 -17.973 23.636 1.00 22.70 C ATOM 371 OD1 ASP A 40 -16.817 -17.977 22.384 1.00 23.01 O ATOM 372 OD2 ASP A 40 -17.640 -18.452 24.353 1.00 23.74 O ATOM 373 H ASP A 40 -12.980 -17.275 24.907 1.00 0.00 H ATOM 374 N TRP A 41 -14.324 -14.436 24.005 1.00 22.09 N ATOM 375 CA TRP A 41 -14.447 -12.993 23.776 1.00 22.69 C ATOM 376 C TRP A 41 -13.754 -12.571 22.471 1.00 22.28 C ATOM 377 O TRP A 41 -14.318 -11.784 21.718 1.00 22.99 O ATOM 378 CB TRP A 41 -13.910 -12.167 24.959 1.00 23.26 C ATOM 379 CG TRP A 41 -14.887 -12.014 26.091 1.00 24.61 C ATOM 380 CD1 TRP A 41 -14.857 -12.662 27.290 1.00 24.94 C ATOM 381 CD2 TRP A 41 -16.033 -11.159 26.126 1.00 25.53 C ATOM 382 NE1 TRP A 41 -15.901 -12.261 28.067 1.00 25.85 N ATOM 383 CE2 TRP A 41 -16.651 -11.345 27.378 1.00 26.20 C ATOM 384 CE3 TRP A 41 -16.601 -10.251 25.219 1.00 26.46 C ATOM 385 CZ2 TRP A 41 -17.817 -10.652 27.760 1.00 26.25 C ATOM 386 CZ3 TRP A 41 -17.768 -9.558 25.596 1.00 26.61 C ATOM 387 CH2 TRP A 41 -18.359 -9.768 26.860 1.00 26.13 C ATOM 388 HE1 TRP A 41 -16.098 -12.597 29.031 1.00 0.00 H ATOM 389 H TRP A 41 -13.882 -14.776 24.883 1.00 0.00 H ATOM 390 N CYS A 42 -12.563 -13.107 22.192 1.00 21.59 N ATOM 391 CA CYS A 42 -11.897 -12.867 20.903 1.00 21.34 C ATOM 392 C CYS A 42 -12.861 -13.092 19.759 1.00 21.46 C ATOM 393 O CYS A 42 -12.933 -12.279 18.843 1.00 22.79 O ATOM 394 CB CYS A 42 -10.689 -13.775 20.687 1.00 21.29 C ATOM 395 SG CYS A 42 -9.440 -13.802 21.990 1.00 22.03 S ATOM 396 H CYS A 42 -12.096 -13.707 22.902 1.00 0.00 H ATOM 397 N CYS A 43 -13.602 -14.196 19.822 1.00 21.33 N ATOM 398 CA CYS A 43 -14.570 -14.543 18.783 1.00 21.50 C ATOM 399 C CYS A 43 -15.794 -13.627 18.761 1.00 21.95 C ATOM 400 O CYS A 43 -16.298 -13.296 17.681 1.00 21.93 O ATOM 401 CB CYS A 43 -14.998 -16.005 18.910 1.00 21.51 C ATOM 402 SG CYS A 43 -13.651 -17.136 18.526 1.00 21.20 S ATOM 403 H CYS A 43 -13.489 -14.832 20.637 1.00 0.00 H ATOM 404 N HIS A 44 -16.270 -13.229 19.945 1.00 22.07 N ATOM 405 CA HIS A 44 -17.333 -12.217 20.060 1.00 22.08 C ATOM 406 C HIS A 44 -16.900 -10.897 19.405 1.00 20.93 C ATOM 407 O HIS A 44 -17.630 -10.339 18.579 1.00 20.71 O ATOM 408 CB HIS A 44 -17.714 -11.992 21.534 1.00 22.74 C ATOM 409 CG HIS A 44 -18.710 -10.897 21.751 1.00 23.27 C ATOM 410 ND1 HIS A 44 -18.337 -9.585 21.971 1.00 23.88 N ATOM 411 CD2 HIS A 44 -20.063 -10.920 21.806 1.00 24.00 C ATOM 412 CE1 HIS A 44 -19.420 -8.846 22.138 1.00 24.36 C ATOM 413 NE2 HIS A 44 -20.481 -9.632 22.051 1.00 23.99 N ATOM 414 H HIS A 44 -15.877 -13.647 20.812 1.00 0.00 H ATOM 415 N ALA A 45 -15.721 -10.411 19.773 1.00 19.32 N ATOM 416 CA ALA A 45 -15.151 -9.220 19.130 1.00 19.95 C ATOM 417 C ALA A 45 -14.986 -9.401 17.599 1.00 19.44 C ATOM 418 O ALA A 45 -15.327 -8.505 16.825 1.00 19.07 O ATOM 419 CB ALA A 45 -13.818 -8.835 19.782 1.00 19.52 C ATOM 420 H ALA A 45 -15.190 -10.883 20.532 1.00 0.00 H ATOM 421 N HIS A 46 -14.510 -10.569 17.180 1.00 19.94 N ATOM 422 CA HIS A 46 -14.320 -10.871 15.756 1.00 21.00 C ATOM 423 C HIS A 46 -15.642 -10.815 14.989 1.00 21.67 C ATOM 424 O HIS A 46 -15.700 -10.242 13.900 1.00 22.32 O ATOM 425 CB HIS A 46 -13.658 -12.241 15.575 1.00 21.28 C ATOM 426 CG HIS A 46 -13.210 -12.509 14.172 1.00 21.99 C ATOM 427 ND1 HIS A 46 -13.890 -13.351 13.320 1.00 22.45 N ATOM 428 CD2 HIS A 46 -12.173 -12.011 13.458 1.00 22.18 C ATOM 429 CE1 HIS A 46 -13.286 -13.366 12.145 1.00 22.25 C ATOM 430 NE2 HIS A 46 -12.246 -12.555 12.201 1.00 22.05 N ATOM 431 H HIS A 46 -14.264 -11.293 17.885 1.00 0.00 H ATOM 432 N ASP A 47 -16.691 -11.408 15.560 1.00 22.12 N ATOM 433 CA ASP A 47 -18.055 -11.284 15.025 1.00 22.88 C ATOM 434 C ASP A 47 -18.488 -9.819 14.875 1.00 21.89 C ATOM 435 O ASP A 47 -19.063 -9.429 13.846 1.00 20.98 O ATOM 436 CB ASP A 47 -19.070 -11.985 15.940 1.00 24.19 C ATOM 437 CG ASP A 47 -19.011 -13.507 15.861 1.00 25.42 C ATOM 438 OD1 ASP A 47 -18.153 -14.096 15.157 1.00 25.46 O ATOM 439 OD2 ASP A 47 -19.859 -14.131 16.530 1.00 27.57 O ATOM 440 H ASP A 47 -16.539 -11.979 16.416 1.00 0.00 H ATOM 441 N CYS A 48 -18.214 -9.024 15.904 1.00 20.56 N ATOM 442 CA CYS A 48 -18.480 -7.584 15.855 1.00 21.72 C ATOM 443 C CYS A 48 -17.698 -6.903 14.726 1.00 20.63 C ATOM 444 O CYS A 48 -18.248 -6.090 13.977 1.00 19.71 O ATOM 445 CB CYS A 48 -18.166 -6.924 17.204 1.00 22.33 C ATOM 446 SG CYS A 48 -19.293 -7.477 18.497 1.00 24.38 S ATOM 447 H CYS A 48 -17.800 -9.434 16.766 1.00 0.00 H ATOM 448 N CYS A 49 -16.429 -7.272 14.606 1.00 19.71 N ATOM 449 CA CYS A 49 -15.552 -6.761 13.549 1.00 19.36 C ATOM 450 C CYS A 49 -16.158 -7.027 12.166 1.00 18.91 C ATOM 451 O CYS A 49 -16.305 -6.111 11.346 1.00 18.39 O ATOM 452 CB CYS A 49 -14.158 -7.382 13.695 1.00 19.23 C ATOM 453 SG CYS A 49 -12.820 -6.377 13.030 1.00 19.82 S ATOM 454 H CYS A 49 -16.041 -7.952 15.290 1.00 0.00 H ATOM 455 N TYR A 50 -16.573 -8.266 11.931 1.00 19.05 N ATOM 456 CA TYR A 50 -17.193 -8.619 10.651 1.00 20.06 C ATOM 457 C TYR A 50 -18.502 -7.838 10.393 1.00 20.54 C ATOM 458 O TYR A 50 -18.728 -7.373 9.271 1.00 21.25 O ATOM 459 CB TYR A 50 -17.382 -10.150 10.524 1.00 20.42 C ATOM 460 CG TYR A 50 -16.173 -10.933 9.978 1.00 20.82 C ATOM 461 CD1 TYR A 50 -14.862 -10.470 10.108 1.00 21.27 C ATOM 462 CD2 TYR A 50 -16.359 -12.164 9.349 1.00 21.79 C ATOM 463 CE1 TYR A 50 -13.786 -11.201 9.603 1.00 21.92 C ATOM 464 CE2 TYR A 50 -15.296 -12.900 8.848 1.00 21.63 C ATOM 465 CZ TYR A 50 -14.011 -12.425 8.974 1.00 21.88 C ATOM 466 OH TYR A 50 -12.971 -13.173 8.457 1.00 21.44 O ATOM 467 HH TYR A 50 -12.115 -12.705 8.624 1.00 0.00 H ATOM 468 H TYR A 50 -16.457 -8.995 12.664 1.00 0.00 H ATOM 469 N GLY A 51 -19.338 -7.670 11.424 1.00 20.77 N ATOM 470 CA GLY A 51 -20.553 -6.853 11.314 1.00 20.01 C ATOM 471 C GLY A 51 -20.275 -5.420 10.885 1.00 20.24 C ATOM 472 O GLY A 51 -20.984 -4.876 10.033 1.00 19.73 O ATOM 473 H GLY A 51 -19.121 -8.132 12.330 1.00 0.00 H ATOM 474 N ARG A 52 -19.242 -4.811 11.467 1.00 20.18 N ATOM 475 CA ARG A 52 -18.784 -3.485 11.027 1.00 21.30 C ATOM 476 C ARG A 52 -18.408 -3.483 9.538 1.00 20.57 C ATOM 477 O ARG A 52 -18.788 -2.565 8.806 1.00 20.58 O ATOM 478 CB ARG A 52 -17.608 -2.956 11.882 1.00 21.86 C ATOM 479 CG ARG A 52 -17.997 -2.641 13.321 1.00 22.94 C ATOM 480 CD ARG A 52 -16.988 -1.770 14.072 1.00 24.00 C ATOM 481 NE ARG A 52 -15.668 -2.386 14.263 1.00 25.33 N ATOM 482 CZ ARG A 52 -15.364 -3.346 15.149 1.00 26.82 C ATOM 483 NH1 ARG A 52 -16.288 -3.874 15.954 1.00 27.88 N ATOM 484 NH2 ARG A 52 -14.116 -3.808 15.222 1.00 27.03 N ATOM 485 HE ARG A 52 -14.897 -2.046 13.654 1.00 0.00 H ATOM 486 HH12 ARG A 52 -16.024 -4.617 16.632 1.00 0.00 H ATOM 487 HH11 ARG A 52 -17.272 -3.542 15.904 1.00 0.00 H ATOM 488 HH22 ARG A 52 -13.876 -4.552 15.908 1.00 0.00 H ATOM 489 HH21 ARG A 52 -13.382 -3.424 14.593 1.00 0.00 H ATOM 490 H ARG A 52 -18.749 -5.285 12.250 1.00 0.00 H ATOM 491 N LEU A 53 -17.688 -4.508 9.090 1.00 20.23 N ATOM 492 CA LEU A 53 -17.265 -4.576 7.684 1.00 20.24 C ATOM 493 C LEU A 53 -18.455 -4.744 6.738 1.00 20.22 C ATOM 494 O LEU A 53 -18.467 -4.156 5.649 1.00 19.46 O ATOM 495 CB LEU A 53 -16.230 -5.679 7.456 1.00 20.15 C ATOM 496 CG LEU A 53 -14.919 -5.649 8.257 1.00 21.28 C ATOM 497 CD1 LEU A 53 -13.839 -6.493 7.568 1.00 21.25 C ATOM 498 CD2 LEU A 53 -14.400 -4.240 8.509 1.00 20.73 C ATOM 499 H LEU A 53 -17.421 -5.272 9.744 1.00 0.00 H ATOM 500 N GLU A 54 -19.451 -5.518 7.166 1.00 20.82 N ATOM 501 CA GLU A 54 -20.691 -5.689 6.394 1.00 22.58 C ATOM 502 C GLU A 54 -21.453 -4.369 6.247 1.00 22.31 C ATOM 503 O GLU A 54 -21.924 -4.062 5.167 1.00 22.60 O ATOM 504 CB GLU A 54 -21.575 -6.801 6.987 1.00 23.29 C ATOM 505 CG GLU A 54 -20.945 -8.168 6.803 1.00 24.77 C ATOM 506 CD GLU A 54 -21.719 -9.335 7.390 1.00 26.46 C ATOM 507 OE1 GLU A 54 -21.272 -10.483 7.142 1.00 29.69 O ATOM 508 OE2 GLU A 54 -22.743 -9.137 8.085 1.00 26.64 O ATOM 509 H GLU A 54 -19.349 -6.016 8.073 1.00 0.00 H ATOM 510 N LYS A 55 -21.523 -3.572 7.307 1.00 23.33 N ATOM 511 CA LYS A 55 -22.120 -2.224 7.227 1.00 24.21 C ATOM 512 C LYS A 55 -21.359 -1.288 6.286 1.00 23.78 C ATOM 513 O LYS A 55 -21.967 -0.399 5.696 1.00 23.43 O ATOM 514 CB LYS A 55 -22.226 -1.560 8.609 1.00 25.79 C ATOM 515 CG LYS A 55 -23.617 -1.548 9.214 1.00 28.16 C ATOM 516 CD LYS A 55 -23.751 -0.490 10.324 1.00 29.92 C ATOM 517 CE LYS A 55 -23.782 0.951 9.790 1.00 30.27 C ATOM 518 NZ LYS A 55 -24.085 1.957 10.850 1.00 30.23 N ATOM 519 HZ1 LYS A 55 -25.017 1.752 11.265 1.00 0.00 H ATOM 520 HZ2 LYS A 55 -23.356 1.909 11.591 1.00 0.00 H ATOM 521 HZ3 LYS A 55 -24.092 2.909 10.431 1.00 0.00 H ATOM 522 H LYS A 55 -21.147 -3.906 8.217 1.00 0.00 H ATOM 523 N LEU A 56 -20.041 -1.474 6.167 1.00 22.94 N ATOM 524 CA LEU A 56 -19.228 -0.737 5.180 1.00 22.83 C ATOM 525 C LEU A 56 -19.392 -1.210 3.721 1.00 22.27 C ATOM 526 O LEU A 56 -18.847 -0.583 2.817 1.00 24.22 O ATOM 527 CB LEU A 56 -17.740 -0.757 5.580 1.00 23.12 C ATOM 528 CG LEU A 56 -17.397 0.127 6.789 1.00 23.28 C ATOM 529 CD1 LEU A 56 -16.083 -0.299 7.419 1.00 23.70 C ATOM 530 CD2 LEU A 56 -17.353 1.608 6.416 1.00 23.47 C ATOM 531 H LEU A 56 -19.572 -2.161 6.791 1.00 0.00 H ATOM 532 N GLY A 57 -20.140 -2.288 3.485 1.00 21.42 N ATOM 533 CA GLY A 57 -20.368 -2.818 2.138 1.00 20.63 C ATOM 534 C GLY A 57 -19.397 -3.928 1.757 1.00 20.56 C ATOM 535 O GLY A 57 -19.420 -4.373 0.619 1.00 19.39 O ATOM 536 H GLY A 57 -20.581 -2.774 4.292 1.00 0.00 H ATOM 537 N CYS A 58 -18.564 -4.386 2.706 1.00 20.33 N ATOM 538 CA CYS A 58 -17.639 -5.499 2.475 1.00 21.11 C ATOM 539 C CYS A 58 -18.349 -6.808 2.715 1.00 22.31 C ATOM 540 O CYS A 58 -19.419 -6.829 3.302 1.00 22.48 O ATOM 541 CB CYS A 58 -16.425 -5.434 3.410 1.00 19.81 C ATOM 542 SG CYS A 58 -15.474 -3.901 3.343 1.00 19.18 S ATOM 543 H CYS A 58 -18.576 -3.933 3.642 1.00 0.00 H ATOM 544 N GLU A 59 -17.723 -7.899 2.288 1.00 24.26 N ATOM 545 CA GLU A 59 -18.232 -9.258 2.529 1.00 26.08 C ATOM 546 C GLU A 59 -17.173 -10.108 3.246 1.00 24.26 C ATOM 547 O GLU A 59 -16.651 -11.050 2.669 1.00 23.15 O ATOM 548 CB GLU A 59 -18.618 -9.907 1.203 1.00 28.00 C ATOM 549 CG GLU A 59 -19.740 -9.204 0.461 1.00 30.72 C ATOM 550 CD GLU A 59 -20.063 -9.911 -0.841 1.00 33.72 C ATOM 551 OE1 GLU A 59 -21.051 -10.674 -0.880 1.00 36.36 O ATOM 552 OE2 GLU A 59 -19.293 -9.745 -1.813 1.00 38.62 O ATOM 553 H GLU A 59 -16.834 -7.788 1.760 1.00 0.00 H ATOM 554 N PRO A 60 -16.862 -9.785 4.518 1.00 24.40 N ATOM 555 CA PRO A 60 -15.692 -10.394 5.170 1.00 24.70 C ATOM 556 C PRO A 60 -15.692 -11.921 5.219 1.00 25.49 C ATOM 557 O PRO A 60 -14.627 -12.517 5.228 1.00 24.81 O ATOM 558 CB PRO A 60 -15.724 -9.804 6.578 1.00 24.11 C ATOM 559 CG PRO A 60 -17.150 -9.436 6.800 1.00 24.11 C ATOM 560 CD PRO A 60 -17.612 -8.935 5.459 1.00 24.28 C ATOM 561 N LYS A 61 -16.870 -12.541 5.240 1.00 28.32 N ATOM 562 CA LYS A 61 -16.980 -14.008 5.150 1.00 30.74 C ATOM 563 C LYS A 61 -16.370 -14.589 3.891 1.00 30.28 C ATOM 564 O LYS A 61 -15.951 -15.730 3.911 1.00 31.47 O ATOM 565 CB LYS A 61 -18.439 -14.464 5.232 1.00 32.75 C ATOM 566 CG LYS A 61 -19.023 -14.383 6.631 1.00 34.35 C ATOM 567 CD LYS A 61 -20.543 -14.279 6.593 1.00 36.57 C ATOM 568 CE LYS A 61 -21.145 -14.591 7.956 1.00 38.67 C ATOM 569 NZ LYS A 61 -22.433 -13.874 8.156 1.00 40.65 N ATOM 570 HZ1 LYS A 61 -22.271 -12.849 8.092 1.00 0.00 H ATOM 571 HZ2 LYS A 61 -23.109 -14.166 7.421 1.00 0.00 H ATOM 572 HZ3 LYS A 61 -22.817 -14.108 9.094 1.00 0.00 H ATOM 573 H LYS A 61 -17.738 -11.974 5.322 1.00 0.00 H ATOM 574 N LEU A 62 -16.345 -13.813 2.809 1.00 30.10 N ATOM 575 CA LEU A 62 -15.834 -14.264 1.517 1.00 30.81 C ATOM 576 C LEU A 62 -14.517 -13.607 1.043 1.00 29.46 C ATOM 577 O LEU A 62 -13.825 -14.187 0.211 1.00 28.21 O ATOM 578 CB LEU A 62 -16.932 -14.068 0.459 1.00 31.90 C ATOM 579 CG LEU A 62 -18.263 -14.796 0.752 1.00 33.11 C ATOM 580 CD1 LEU A 62 -19.336 -14.441 -0.272 1.00 32.67 C ATOM 581 CD2 LEU A 62 -18.056 -16.309 0.812 1.00 33.30 C ATOM 582 H LEU A 62 -16.706 -12.841 2.888 1.00 0.00 H ATOM 583 N GLU A 63 -14.158 -12.434 1.573 1.00 29.00 N ATOM 584 CA GLU A 63 -12.987 -11.690 1.069 1.00 28.95 C ATOM 585 C GLU A 63 -11.712 -12.552 1.119 1.00 28.39 C ATOM 586 O GLU A 63 -11.476 -13.268 2.087 1.00 26.39 O ATOM 587 CB GLU A 63 -12.715 -10.390 1.852 1.00 28.65 C ATOM 588 CG GLU A 63 -13.828 -9.340 1.933 1.00 29.33 C ATOM 589 CD GLU A 63 -14.199 -8.662 0.620 1.00 28.79 C ATOM 590 OE1 GLU A 63 -13.462 -8.809 -0.386 1.00 27.53 O ATOM 591 OE2 GLU A 63 -15.248 -7.962 0.623 1.00 26.37 O ATOM 592 H GLU A 63 -14.715 -12.037 2.357 1.00 0.00 H ATOM 593 N LYS A 64 -10.915 -12.482 0.055 1.00 29.99 N ATOM 594 CA LYS A 64 -9.606 -13.139 -0.008 1.00 30.37 C ATOM 595 C LYS A 64 -8.543 -12.067 0.150 1.00 26.42 C ATOM 596 O LYS A 64 -8.505 -11.124 -0.629 1.00 26.49 O ATOM 597 CB LYS A 64 -9.420 -13.848 -1.352 1.00 34.04 C ATOM 598 CG LYS A 64 -10.422 -14.962 -1.632 1.00 38.45 C ATOM 599 CD LYS A 64 -10.282 -16.098 -0.623 1.00 41.32 C ATOM 600 CE LYS A 64 -11.038 -17.346 -1.057 1.00 44.13 C ATOM 601 NZ LYS A 64 -10.474 -17.993 -2.281 1.00 45.92 N ATOM 602 HZ1 LYS A 64 -10.505 -17.320 -3.073 1.00 0.00 H ATOM 603 HZ2 LYS A 64 -9.489 -18.273 -2.101 1.00 0.00 H ATOM 604 HZ3 LYS A 64 -11.037 -18.835 -2.518 1.00 0.00 H ATOM 605 H LYS A 64 -11.236 -11.936 -0.770 1.00 0.00 H ATOM 606 N TYR A 65 -7.685 -12.216 1.151 1.00 22.67 N ATOM 607 CA TYR A 65 -6.601 -11.266 1.392 1.00 21.85 C ATOM 608 C TYR A 65 -5.240 -11.979 1.353 1.00 21.08 C ATOM 609 O TYR A 65 -5.168 -13.189 1.167 1.00 21.98 O ATOM 610 CB TYR A 65 -6.811 -10.517 2.721 1.00 20.14 C ATOM 611 CG TYR A 65 -6.872 -11.401 3.942 1.00 19.64 C ATOM 612 CD1 TYR A 65 -5.706 -11.844 4.578 1.00 19.56 C ATOM 613 CD2 TYR A 65 -8.104 -11.782 4.484 1.00 18.77 C ATOM 614 CE1 TYR A 65 -5.763 -12.655 5.713 1.00 19.35 C ATOM 615 CE2 TYR A 65 -8.176 -12.595 5.603 1.00 18.78 C ATOM 616 CZ TYR A 65 -7.012 -13.032 6.221 1.00 19.39 C ATOM 617 OH TYR A 65 -7.103 -13.838 7.330 1.00 18.51 O ATOM 618 HH TYR A 65 -7.597 -13.361 8.043 1.00 0.00 H ATOM 619 H TYR A 65 -7.787 -13.035 1.784 1.00 0.00 H ATOM 620 N LEU A 66 -4.177 -11.202 1.517 1.00 20.11 N ATOM 621 CA LEU A 66 -2.820 -11.711 1.612 1.00 19.99 C ATOM 622 C LEU A 66 -2.236 -11.289 2.944 1.00 19.37 C ATOM 623 O LEU A 66 -2.565 -10.218 3.474 1.00 19.48 O ATOM 624 CB LEU A 66 -1.962 -11.137 0.477 1.00 20.26 C ATOM 625 CG LEU A 66 -2.511 -11.286 -0.948 1.00 20.45 C ATOM 626 CD1 LEU A 66 -1.704 -10.407 -1.901 1.00 20.56 C ATOM 627 CD2 LEU A 66 -2.510 -12.746 -1.391 1.00 19.74 C ATOM 628 H LEU A 66 -4.323 -10.174 1.581 1.00 0.00 H ATOM 629 N PHE A 67 -1.366 -12.128 3.481 1.00 18.97 N ATOM 630 CA PHE A 67 -0.639 -11.788 4.688 1.00 19.40 C ATOM 631 C PHE A 67 0.652 -12.571 4.831 1.00 20.16 C ATOM 632 O PHE A 67 0.790 -13.672 4.281 1.00 20.09 O ATOM 633 CB PHE A 67 -1.517 -11.988 5.942 1.00 18.76 C ATOM 634 CG PHE A 67 -1.592 -13.416 6.430 1.00 18.47 C ATOM 635 CD1 PHE A 67 -2.485 -14.309 5.872 1.00 18.29 C ATOM 636 CD2 PHE A 67 -0.775 -13.856 7.481 1.00 18.93 C ATOM 637 CE1 PHE A 67 -2.574 -15.617 6.337 1.00 18.54 C ATOM 638 CE2 PHE A 67 -0.856 -15.163 7.947 1.00 19.01 C ATOM 639 CZ PHE A 67 -1.765 -16.042 7.376 1.00 18.63 C ATOM 640 H PHE A 67 -1.200 -13.050 3.028 1.00 0.00 H ATOM 641 N SER A 68 1.573 -11.984 5.593 1.00 21.81 N ATOM 642 CA SER A 68 2.816 -12.629 6.005 1.00 23.81 C ATOM 643 C SER A 68 3.021 -12.390 7.488 1.00 26.32 C ATOM 644 O SER A 68 2.370 -11.525 8.083 1.00 26.18 O ATOM 645 CB SER A 68 4.014 -12.054 5.242 1.00 23.25 C ATOM 646 OG SER A 68 4.125 -10.661 5.470 1.00 23.32 O ATOM 647 HG SER A 68 4.903 -10.307 4.970 1.00 0.00 H ATOM 648 H SER A 68 1.397 -11.010 5.913 1.00 0.00 H ATOM 649 N VAL A 69 3.946 -13.163 8.055 1.00 29.70 N ATOM 650 CA VAL A 69 4.301 -13.104 9.462 1.00 33.11 C ATOM 651 C VAL A 69 5.822 -13.031 9.581 1.00 35.97 C ATOM 652 O VAL A 69 6.511 -14.028 9.370 1.00 36.68 O ATOM 653 CB VAL A 69 3.794 -14.354 10.222 1.00 33.81 C ATOM 654 CG1 VAL A 69 3.925 -14.152 11.728 1.00 34.83 C ATOM 655 CG2 VAL A 69 2.354 -14.676 9.844 1.00 34.20 C ATOM 656 H VAL A 69 4.444 -13.850 7.454 1.00 0.00 H ATOM 657 N SER A 70 6.332 -11.850 9.905 1.00 40.67 N ATOM 658 CA SER A 70 7.742 -11.660 10.223 1.00 44.01 C ATOM 659 C SER A 70 7.885 -11.699 11.747 1.00 48.36 C ATOM 660 O SER A 70 7.040 -12.269 12.439 1.00 50.16 O ATOM 661 CB SER A 70 8.248 -10.332 9.629 1.00 44.94 C ATOM 662 OG SER A 70 7.976 -9.226 10.479 1.00 47.10 O ATOM 663 HG SER A 70 8.317 -8.397 10.059 1.00 0.00 H ATOM 664 H SER A 70 5.699 -11.025 9.933 1.00 0.00 H ATOM 665 N GLU A 71 8.959 -11.104 12.258 1.00 51.85 N ATOM 666 CA GLU A 71 9.230 -11.050 13.684 1.00 54.44 C ATOM 667 C GLU A 71 8.517 -9.865 14.313 1.00 53.20 C ATOM 668 O GLU A 71 8.116 -9.939 15.469 1.00 53.33 O ATOM 669 CB GLU A 71 10.742 -10.947 13.933 1.00 59.87 C ATOM 670 CG GLU A 71 11.555 -12.115 13.369 1.00 63.13 C ATOM 671 CD GLU A 71 13.060 -11.856 13.333 1.00 68.78 C ATOM 672 OE1 GLU A 71 13.537 -10.858 13.931 1.00 72.24 O ATOM 673 OE2 GLU A 71 13.779 -12.663 12.700 1.00 69.39 O ATOM 674 H GLU A 71 9.636 -10.657 11.607 1.00 0.00 H ATOM 675 N ARG A 72 8.364 -8.774 13.558 1.00 53.36 N ATOM 676 CA ARG A 72 7.646 -7.587 14.046 1.00 51.76 C ATOM 677 C ARG A 72 6.116 -7.652 13.883 1.00 45.98 C ATOM 678 O ARG A 72 5.424 -6.689 14.237 1.00 44.03 O ATOM 679 CB ARG A 72 8.201 -6.315 13.397 1.00 55.43 C ATOM 680 CG ARG A 72 7.705 -6.029 11.988 1.00 58.16 C ATOM 681 CD ARG A 72 8.742 -5.240 11.210 1.00 60.31 C ATOM 682 NE ARG A 72 9.895 -6.078 10.881 1.00 62.49 N ATOM 683 CZ ARG A 72 11.099 -5.632 10.518 1.00 65.50 C ATOM 684 NH1 ARG A 72 11.359 -4.324 10.420 1.00 65.40 N ATOM 685 NH2 ARG A 72 12.064 -6.511 10.251 1.00 65.25 N ATOM 686 HE ARG A 72 9.765 -7.108 10.935 1.00 0.00 H ATOM 687 HH12 ARG A 72 12.306 -4.002 10.135 1.00 0.00 H ATOM 688 HH11 ARG A 72 10.614 -3.629 10.629 1.00 0.00 H ATOM 689 HH22 ARG A 72 13.007 -6.177 9.967 1.00 0.00 H ATOM 690 HH21 ARG A 72 11.874 -7.531 10.327 1.00 0.00 H ATOM 691 H ARG A 72 8.764 -8.764 12.598 1.00 0.00 H ATOM 692 N GLY A 73 5.598 -8.758 13.338 1.00 39.94 N ATOM 693 CA GLY A 73 4.173 -9.053 13.423 1.00 37.14 C ATOM 694 C GLY A 73 3.519 -9.599 12.170 1.00 33.74 C ATOM 695 O GLY A 73 4.166 -10.214 11.322 1.00 33.33 O ATOM 696 H GLY A 73 6.226 -9.423 12.842 1.00 0.00 H ATOM 697 N ILE A 74 2.209 -9.394 12.093 1.00 30.42 N ATOM 698 CA ILE A 74 1.403 -9.837 10.966 1.00 27.98 C ATOM 699 C ILE A 74 1.284 -8.661 10.024 1.00 25.11 C ATOM 700 O ILE A 74 0.890 -7.574 10.444 1.00 23.70 O ATOM 701 CB ILE A 74 0.011 -10.309 11.423 1.00 28.64 C ATOM 702 CG1 ILE A 74 0.159 -11.613 12.217 1.00 29.48 C ATOM 703 CG2 ILE A 74 -0.924 -10.519 10.227 1.00 28.54 C ATOM 704 CD1 ILE A 74 -1.097 -12.045 12.942 1.00 29.55 C ATOM 705 H ILE A 74 1.738 -8.894 12.874 1.00 0.00 H ATOM 706 N PHE A 75 1.648 -8.872 8.760 1.00 22.81 N ATOM 707 CA PHE A 75 1.481 -7.835 7.740 1.00 21.14 C ATOM 708 C PHE A 75 0.299 -8.186 6.838 1.00 19.42 C ATOM 709 O PHE A 75 0.263 -9.261 6.263 1.00 19.23 O ATOM 710 CB PHE A 75 2.749 -7.664 6.918 1.00 20.51 C ATOM 711 CG PHE A 75 2.615 -6.633 5.844 1.00 20.50 C ATOM 712 CD1 PHE A 75 2.580 -5.274 6.172 1.00 20.89 C ATOM 713 CD2 PHE A 75 2.491 -7.009 4.511 1.00 20.21 C ATOM 714 CE1 PHE A 75 2.436 -4.301 5.181 1.00 21.06 C ATOM 715 CE2 PHE A 75 2.350 -6.044 3.518 1.00 21.32 C ATOM 716 CZ PHE A 75 2.322 -4.686 3.851 1.00 20.77 C ATOM 717 H PHE A 75 2.058 -9.790 8.493 1.00 0.00 H ATOM 718 N CYS A 76 -0.642 -7.261 6.712 1.00 18.12 N ATOM 719 CA CYS A 76 -1.884 -7.474 5.973 1.00 17.54 C ATOM 720 C CYS A 76 -1.815 -6.778 4.625 1.00 17.27 C ATOM 721 O CYS A 76 -1.241 -5.707 4.509 1.00 16.48 O ATOM 722 CB CYS A 76 -3.078 -6.908 6.766 1.00 17.59 C ATOM 723 SG CYS A 76 -3.800 -8.028 7.995 1.00 17.26 S ATOM 724 H CYS A 76 -0.488 -6.336 7.162 1.00 0.00 H ATOM 725 N ALA A 77 -2.437 -7.378 3.614 1.00 17.44 N ATOM 726 CA ALA A 77 -2.456 -6.798 2.277 1.00 17.59 C ATOM 727 C ALA A 77 -3.595 -7.352 1.433 1.00 17.85 C ATOM 728 O ALA A 77 -4.243 -8.336 1.797 1.00 17.74 O ATOM 729 CB ALA A 77 -1.114 -7.040 1.583 1.00 17.85 C ATOM 730 H ALA A 77 -2.922 -8.283 3.782 1.00 0.00 H ATOM 731 N GLY A 78 -3.811 -6.714 0.290 1.00 17.94 N ATOM 732 CA GLY A 78 -4.916 -7.056 -0.600 1.00 18.33 C ATOM 733 C GLY A 78 -5.144 -5.941 -1.592 1.00 18.05 C ATOM 734 O GLY A 78 -4.715 -4.809 -1.367 1.00 17.78 O ATOM 735 H GLY A 78 -3.169 -5.942 0.018 1.00 0.00 H ATOM 736 N ARG A 79 -5.814 -6.278 -2.687 1.00 18.21 N ATOM 737 CA ARG A 79 -6.075 -5.309 -3.756 1.00 17.87 C ATOM 738 C ARG A 79 -7.099 -4.264 -3.317 1.00 17.83 C ATOM 739 O ARG A 79 -6.980 -3.103 -3.683 1.00 17.84 O ATOM 740 CB ARG A 79 -6.541 -6.006 -5.041 1.00 17.65 C ATOM 741 CG ARG A 79 -6.450 -5.135 -6.294 1.00 17.51 C ATOM 742 CD ARG A 79 -7.276 -5.693 -7.448 1.00 17.16 C ATOM 743 NE ARG A 79 -6.644 -6.836 -8.105 1.00 16.71 N ATOM 744 CZ ARG A 79 -5.734 -6.737 -9.072 1.00 16.22 C ATOM 745 NH1 ARG A 79 -5.338 -5.542 -9.497 1.00 15.53 N ATOM 746 NH2 ARG A 79 -5.224 -7.838 -9.612 1.00 15.87 N ATOM 747 HE ARG A 79 -6.924 -7.789 -7.797 1.00 0.00 H ATOM 748 HH12 ARG A 79 -4.627 -5.468 -10.252 1.00 0.00 H ATOM 749 HH11 ARG A 79 -5.739 -4.681 -9.074 1.00 0.00 H ATOM 750 HH22 ARG A 79 -4.513 -7.765 -10.368 1.00 0.00 H ATOM 751 HH21 ARG A 79 -5.536 -8.773 -9.279 1.00 0.00 H ATOM 752 H ARG A 79 -6.162 -7.253 -2.789 1.00 0.00 H ATOM 753 N THR A 80 -8.096 -4.678 -2.534 1.00 17.97 N ATOM 754 CA THR A 80 -9.163 -3.775 -2.090 1.00 17.80 C ATOM 755 C THR A 80 -9.087 -3.478 -0.594 1.00 17.68 C ATOM 756 O THR A 80 -8.553 -4.265 0.198 1.00 17.07 O ATOM 757 CB THR A 80 -10.543 -4.379 -2.358 1.00 18.17 C ATOM 758 OG1 THR A 80 -10.718 -5.544 -1.534 1.00 18.02 O ATOM 759 CG2 THR A 80 -10.700 -4.739 -3.836 1.00 18.32 C ATOM 760 HG1 THR A 80 -11.610 -5.937 -1.705 1.00 0.00 H ATOM 761 H THR A 80 -8.118 -5.672 -2.229 1.00 0.00 H ATOM 762 N THR A 81 -9.654 -2.339 -0.219 1.00 17.19 N ATOM 763 CA THR A 81 -9.738 -1.951 1.175 1.00 17.33 C ATOM 764 C THR A 81 -10.544 -2.974 2.004 1.00 17.45 C ATOM 765 O THR A 81 -10.190 -3.258 3.155 1.00 17.27 O ATOM 766 CB THR A 81 -10.337 -0.535 1.314 1.00 17.36 C ATOM 767 OG1 THR A 81 -9.701 0.354 0.380 1.00 17.54 O ATOM 768 CG2 THR A 81 -10.116 0.005 2.704 1.00 17.20 C ATOM 769 HG1 THR A 81 -10.088 1.260 0.473 1.00 0.00 H ATOM 770 H THR A 81 -10.049 -1.707 -0.945 1.00 0.00 H ATOM 771 N CYS A 82 -11.596 -3.545 1.420 1.00 17.11 N ATOM 772 CA CYS A 82 -12.365 -4.593 2.100 1.00 17.29 C ATOM 773 C CYS A 82 -11.540 -5.846 2.440 1.00 17.36 C ATOM 774 O CYS A 82 -11.736 -6.460 3.502 1.00 17.83 O ATOM 775 CB CYS A 82 -13.605 -4.983 1.288 1.00 17.51 C ATOM 776 SG CYS A 82 -14.951 -3.783 1.388 1.00 18.42 S ATOM 777 H CYS A 82 -11.877 -3.243 0.465 1.00 0.00 H ATOM 778 N GLN A 83 -10.644 -6.230 1.539 1.00 17.02 N ATOM 779 CA GLN A 83 -9.746 -7.362 1.780 1.00 17.27 C ATOM 780 C GLN A 83 -8.776 -7.049 2.919 1.00 17.26 C ATOM 781 O GLN A 83 -8.557 -7.884 3.793 1.00 16.17 O ATOM 782 CB GLN A 83 -8.959 -7.713 0.514 1.00 17.26 C ATOM 783 CG GLN A 83 -9.806 -8.314 -0.589 1.00 17.68 C ATOM 784 CD GLN A 83 -9.132 -8.296 -1.962 1.00 18.30 C ATOM 785 OE1 GLN A 83 -8.212 -7.522 -2.219 1.00 18.77 O ATOM 786 NE2 GLN A 83 -9.625 -9.129 -2.861 1.00 18.35 N ATOM 787 HE22 GLN A 83 -10.404 -9.769 -2.605 1.00 0.00 H ATOM 788 HE21 GLN A 83 -9.234 -9.145 -3.825 1.00 0.00 H ATOM 789 H GLN A 83 -10.578 -5.714 0.639 1.00 0.00 H ATOM 790 N ARG A 84 -8.215 -5.837 2.906 1.00 17.89 N ATOM 791 CA ARG A 84 -7.277 -5.405 3.950 1.00 18.05 C ATOM 792 C ARG A 84 -7.995 -5.267 5.311 1.00 17.34 C ATOM 793 O ARG A 84 -7.456 -5.647 6.345 1.00 16.89 O ATOM 794 CB ARG A 84 -6.543 -4.124 3.526 1.00 18.67 C ATOM 795 CG ARG A 84 -5.691 -4.296 2.259 1.00 20.08 C ATOM 796 CD ARG A 84 -5.180 -2.977 1.651 1.00 21.12 C ATOM 797 NE ARG A 84 -4.191 -2.345 2.515 1.00 22.47 N ATOM 798 CZ ARG A 84 -3.376 -1.336 2.179 1.00 25.36 C ATOM 799 NH1 ARG A 84 -3.388 -0.781 0.951 1.00 26.16 N ATOM 800 NH2 ARG A 84 -2.526 -0.865 3.097 1.00 24.65 N ATOM 801 HE ARG A 84 -4.110 -2.712 3.485 1.00 0.00 H ATOM 802 HH12 ARG A 84 -2.740 0.001 0.727 1.00 0.00 H ATOM 803 HH11 ARG A 84 -4.045 -1.135 0.227 1.00 0.00 H ATOM 804 HH22 ARG A 84 -1.884 -0.082 2.858 1.00 0.00 H ATOM 805 HH21 ARG A 84 -2.507 -1.281 4.050 1.00 0.00 H ATOM 806 H ARG A 84 -8.449 -5.180 2.134 1.00 0.00 H ATOM 807 N LEU A 85 -9.227 -4.773 5.299 1.00 17.15 N ATOM 808 CA LEU A 85 -10.060 -4.715 6.525 1.00 16.88 C ATOM 809 C LEU A 85 -10.358 -6.090 7.125 1.00 16.36 C ATOM 810 O LEU A 85 -10.272 -6.285 8.332 1.00 16.00 O ATOM 811 CB LEU A 85 -11.388 -4.018 6.223 1.00 17.07 C ATOM 812 CG LEU A 85 -11.304 -2.504 6.087 1.00 17.37 C ATOM 813 CD1 LEU A 85 -12.576 -1.952 5.453 1.00 17.46 C ATOM 814 CD2 LEU A 85 -11.033 -1.877 7.445 1.00 17.67 C ATOM 815 H LEU A 85 -9.619 -4.416 4.404 1.00 0.00 H ATOM 816 N THR A 86 -10.720 -7.036 6.268 1.00 16.16 N ATOM 817 CA THR A 86 -10.980 -8.400 6.699 1.00 15.96 C ATOM 818 C THR A 86 -9.744 -9.003 7.354 1.00 16.33 C ATOM 819 O THR A 86 -9.845 -9.634 8.415 1.00 15.92 O ATOM 820 CB THR A 86 -11.426 -9.262 5.521 1.00 15.58 C ATOM 821 OG1 THR A 86 -12.537 -8.631 4.878 1.00 14.92 O ATOM 822 CG2 THR A 86 -11.828 -10.653 5.975 1.00 15.58 C ATOM 823 HG1 THR A 86 -12.265 -7.736 4.554 1.00 0.00 H ATOM 824 H THR A 86 -10.820 -6.795 5.261 1.00 0.00 H ATOM 825 N CYS A 87 -8.583 -8.763 6.740 1.00 16.73 N ATOM 826 CA CYS A 87 -7.297 -9.198 7.292 1.00 16.93 C ATOM 827 C CYS A 87 -7.019 -8.567 8.652 1.00 16.89 C ATOM 828 O CYS A 87 -6.460 -9.230 9.529 1.00 16.42 O ATOM 829 CB CYS A 87 -6.137 -8.871 6.339 1.00 17.26 C ATOM 830 SG CYS A 87 -4.539 -9.535 6.874 1.00 17.26 S ATOM 831 H CYS A 87 -8.592 -8.248 5.836 1.00 0.00 H ATOM 832 N GLU A 88 -7.365 -7.286 8.809 1.00 16.92 N ATOM 833 CA GLU A 88 -7.228 -6.613 10.099 1.00 17.60 C ATOM 834 C GLU A 88 -8.129 -7.213 11.187 1.00 17.10 C ATOM 835 O GLU A 88 -7.671 -7.418 12.311 1.00 16.39 O ATOM 836 CB GLU A 88 -7.487 -5.108 9.989 1.00 18.48 C ATOM 837 CG GLU A 88 -6.402 -4.335 9.254 1.00 19.94 C ATOM 838 CD GLU A 88 -5.041 -4.379 9.938 1.00 20.30 C ATOM 839 OE1 GLU A 88 -5.002 -4.364 11.180 1.00 20.76 O ATOM 840 OE2 GLU A 88 -4.018 -4.424 9.218 1.00 20.51 O ATOM 841 H GLU A 88 -7.740 -6.757 7.996 1.00 0.00 H ATOM 842 N CYS A 89 -9.393 -7.471 10.861 1.00 17.30 N ATOM 843 CA CYS A 89 -10.289 -8.209 11.777 1.00 17.90 C ATOM 844 C CYS A 89 -9.674 -9.567 12.192 1.00 18.19 C ATOM 845 O CYS A 89 -9.588 -9.860 13.383 1.00 18.21 O ATOM 846 CB CYS A 89 -11.679 -8.432 11.159 1.00 17.76 C ATOM 847 SG CYS A 89 -12.779 -6.987 11.106 1.00 18.17 S ATOM 848 H CYS A 89 -9.758 -7.147 9.943 1.00 0.00 H ATOM 849 N ASP A 90 -9.215 -10.354 11.214 1.00 18.28 N ATOM 850 CA ASP A 90 -8.630 -11.677 11.483 1.00 18.71 C ATOM 851 C ASP A 90 -7.352 -11.584 12.325 1.00 19.58 C ATOM 852 O ASP A 90 -7.147 -12.360 13.258 1.00 19.13 O ATOM 853 CB ASP A 90 -8.346 -12.416 10.171 1.00 18.48 C ATOM 854 CG ASP A 90 -9.623 -12.836 9.434 1.00 18.40 C ATOM 855 OD1 ASP A 90 -10.745 -12.468 9.823 1.00 17.92 O ATOM 856 OD2 ASP A 90 -9.507 -13.551 8.441 1.00 19.07 O ATOM 857 H ASP A 90 -9.273 -10.020 10.231 1.00 0.00 H ATOM 858 N LYS A 91 -6.502 -10.621 11.979 1.00 20.53 N ATOM 859 CA LYS A 91 -5.246 -10.378 12.678 1.00 20.79 C ATOM 860 C LYS A 91 -5.490 -10.149 14.170 1.00 21.83 C ATOM 861 O LYS A 91 -4.864 -10.796 15.011 1.00 22.47 O ATOM 862 CB LYS A 91 -4.515 -9.182 12.042 1.00 20.16 C ATOM 863 CG LYS A 91 -3.269 -8.726 12.787 1.00 20.14 C ATOM 864 CD LYS A 91 -2.543 -7.600 12.065 1.00 20.12 C ATOM 865 CE LYS A 91 -1.675 -6.811 13.019 1.00 20.21 C ATOM 866 NZ LYS A 91 -0.986 -5.701 12.312 1.00 21.02 N ATOM 867 HZ1 LYS A 91 -0.386 -6.092 11.558 1.00 0.00 H ATOM 868 HZ2 LYS A 91 -1.695 -5.063 11.897 1.00 0.00 H ATOM 869 HZ3 LYS A 91 -0.396 -5.174 12.988 1.00 0.00 H ATOM 870 H LYS A 91 -6.745 -10.013 11.171 1.00 0.00 H ATOM 871 N ARG A 92 -6.407 -9.241 14.479 1.00 21.82 N ATOM 872 CA ARG A 92 -6.734 -8.911 15.867 1.00 23.23 C ATOM 873 C ARG A 92 -7.196 -10.159 16.629 1.00 21.59 C ATOM 874 O ARG A 92 -6.773 -10.381 17.753 1.00 21.66 O ATOM 875 CB ARG A 92 -7.788 -7.786 15.931 1.00 25.13 C ATOM 876 CG ARG A 92 -7.818 -7.050 17.259 1.00 28.68 C ATOM 877 CD ARG A 92 -8.668 -5.780 17.238 1.00 32.16 C ATOM 878 NE ARG A 92 -8.292 -4.878 16.138 1.00 34.73 N ATOM 879 CZ ARG A 92 -9.044 -4.571 15.077 1.00 36.52 C ATOM 880 NH1 ARG A 92 -10.284 -5.048 14.922 1.00 38.37 N ATOM 881 NH2 ARG A 92 -8.557 -3.740 14.162 1.00 37.39 N ATOM 882 HE ARG A 92 -7.351 -4.437 16.191 1.00 0.00 H ATOM 883 HH12 ARG A 92 -10.840 -4.787 14.083 1.00 0.00 H ATOM 884 HH11 ARG A 92 -10.692 -5.679 15.641 1.00 0.00 H ATOM 885 HH22 ARG A 92 -9.128 -3.490 13.330 1.00 0.00 H ATOM 886 HH21 ARG A 92 -7.604 -3.339 14.278 1.00 0.00 H ATOM 887 H ARG A 92 -6.908 -8.749 13.712 1.00 0.00 H ATOM 888 N ALA A 93 -8.021 -10.981 15.983 1.00 20.60 N ATOM 889 CA ALA A 93 -8.493 -12.247 16.542 1.00 20.64 C ATOM 890 C ALA A 93 -7.399 -13.294 16.769 1.00 20.41 C ATOM 891 O ALA A 93 -7.420 -13.984 17.783 1.00 19.43 O ATOM 892 CB ALA A 93 -9.588 -12.838 15.659 1.00 20.29 C ATOM 893 H ALA A 93 -8.346 -10.709 15.033 1.00 0.00 H ATOM 894 N ALA A 94 -6.487 -13.439 15.806 1.00 20.51 N ATOM 895 CA ALA A 94 -5.423 -14.429 15.896 1.00 20.57 C ATOM 896 C ALA A 94 -4.452 -14.033 17.015 1.00 21.17 C ATOM 897 O ALA A 94 -3.996 -14.896 17.778 1.00 20.67 O ATOM 898 CB ALA A 94 -4.698 -14.564 14.563 1.00 21.10 C ATOM 899 H ALA A 94 -6.538 -12.827 14.967 1.00 0.00 H ATOM 900 N LEU A 95 -4.181 -12.727 17.118 1.00 20.64 N ATOM 901 CA LEU A 95 -3.389 -12.163 18.211 1.00 21.08 C ATOM 902 C LEU A 95 -4.097 -12.312 19.553 1.00 21.56 C ATOM 903 O LEU A 95 -3.469 -12.619 20.566 1.00 20.57 O ATOM 904 CB LEU A 95 -3.076 -10.682 17.959 1.00 21.31 C ATOM 905 CG LEU A 95 -2.094 -10.360 16.814 1.00 22.17 C ATOM 906 CD1 LEU A 95 -2.053 -8.859 16.525 1.00 21.45 C ATOM 907 CD2 LEU A 95 -0.692 -10.870 17.135 1.00 22.29 C ATOM 908 H LEU A 95 -4.550 -12.084 16.389 1.00 0.00 H ATOM 909 N CYS A 96 -5.407 -12.084 19.558 1.00 22.46 N ATOM 910 CA CYS A 96 -6.201 -12.299 20.762 1.00 22.77 C ATOM 911 C CYS A 96 -6.109 -13.765 21.216 1.00 23.29 C ATOM 912 O CYS A 96 -5.895 -14.029 22.401 1.00 22.31 O ATOM 913 CB CYS A 96 -7.647 -11.867 20.534 1.00 22.45 C ATOM 914 SG CYS A 96 -8.676 -11.909 22.010 1.00 22.12 S ATOM 915 H CYS A 96 -5.872 -11.747 18.691 1.00 0.00 H ATOM 916 N PHE A 97 -6.222 -14.707 20.274 1.00 23.77 N ATOM 917 CA PHE A 97 -6.079 -16.138 20.603 1.00 24.66 C ATOM 918 C PHE A 97 -4.713 -16.458 21.221 1.00 26.02 C ATOM 919 O PHE A 97 -4.649 -17.127 22.267 1.00 26.25 O ATOM 920 CB PHE A 97 -6.282 -17.051 19.383 1.00 23.81 C ATOM 921 CG PHE A 97 -7.666 -17.016 18.772 1.00 23.40 C ATOM 922 CD1 PHE A 97 -8.823 -16.779 19.529 1.00 23.25 C ATOM 923 CD2 PHE A 97 -7.816 -17.293 17.411 1.00 23.29 C ATOM 924 CE1 PHE A 97 -10.083 -16.789 18.924 1.00 23.01 C ATOM 925 CE2 PHE A 97 -9.067 -17.305 16.806 1.00 22.80 C ATOM 926 CZ PHE A 97 -10.202 -17.057 17.565 1.00 23.19 C ATOM 927 H PHE A 97 -6.414 -14.426 19.291 1.00 0.00 H ATOM 928 N ARG A 98 -3.642 -15.983 20.576 1.00 27.31 N ATOM 929 CA ARG A 98 -2.270 -16.192 21.058 1.00 28.65 C ATOM 930 C ARG A 98 -2.081 -15.657 22.466 1.00 28.31 C ATOM 931 O ARG A 98 -1.545 -16.351 23.333 1.00 28.67 O ATOM 932 CB ARG A 98 -1.221 -15.528 20.150 1.00 30.28 C ATOM 933 CG ARG A 98 0.219 -15.784 20.607 1.00 32.25 C ATOM 934 CD ARG A 98 1.282 -15.284 19.633 1.00 34.63 C ATOM 935 NE ARG A 98 1.462 -13.835 19.727 1.00 37.78 N ATOM 936 CZ ARG A 98 2.334 -13.116 19.010 1.00 40.38 C ATOM 937 NH1 ARG A 98 3.150 -13.703 18.134 1.00 41.96 N ATOM 938 NH2 ARG A 98 2.401 -11.794 19.179 1.00 38.70 N ATOM 939 HE ARG A 98 0.864 -13.322 20.406 1.00 0.00 H ATOM 940 HH12 ARG A 98 3.822 -13.130 17.585 1.00 0.00 H ATOM 941 HH11 ARG A 98 3.115 -14.734 18.000 1.00 0.00 H ATOM 942 HH22 ARG A 98 3.077 -11.232 18.623 1.00 0.00 H ATOM 943 HH21 ARG A 98 1.777 -11.325 19.866 1.00 0.00 H ATOM 944 H ARG A 98 -3.786 -15.444 19.698 1.00 0.00 H ATOM 945 N ARG A 99 -2.498 -14.412 22.665 1.00 27.51 N ATOM 946 CA ARG A 99 -2.373 -13.722 23.943 1.00 29.49 C ATOM 947 C ARG A 99 -3.053 -14.505 25.096 1.00 30.28 C ATOM 948 O ARG A 99 -2.560 -14.533 26.223 1.00 29.45 O ATOM 949 CB ARG A 99 -2.990 -12.329 23.807 1.00 30.82 C ATOM 950 CG ARG A 99 -2.788 -11.400 24.983 1.00 31.39 C ATOM 951 CD ARG A 99 -3.141 -9.968 24.594 1.00 32.12 C ATOM 952 NE ARG A 99 -4.584 -9.784 24.368 1.00 32.42 N ATOM 953 CZ ARG A 99 -5.186 -9.407 23.230 1.00 30.90 C ATOM 954 NH1 ARG A 99 -4.511 -9.153 22.106 1.00 30.41 N ATOM 955 NH2 ARG A 99 -6.510 -9.281 23.221 1.00 30.13 N ATOM 956 HE ARG A 99 -5.206 -9.967 25.181 1.00 0.00 H ATOM 957 HH12 ARG A 99 -5.021 -8.863 21.247 1.00 0.00 H ATOM 958 HH11 ARG A 99 -3.475 -9.245 22.089 1.00 0.00 H ATOM 959 HH22 ARG A 99 -6.999 -8.990 22.350 1.00 0.00 H ATOM 960 HH21 ARG A 99 -7.057 -9.474 24.085 1.00 0.00 H ATOM 961 H ARG A 99 -2.935 -13.904 21.870 1.00 0.00 H ATOM 962 N ASN A 100 -4.170 -15.155 24.785 1.00 29.12 N ATOM 963 CA ASN A 100 -4.931 -15.918 25.767 1.00 29.56 C ATOM 964 C ASN A 100 -4.685 -17.419 25.692 1.00 29.38 C ATOM 965 O ASN A 100 -5.512 -18.197 26.155 1.00 29.34 O ATOM 966 CB ASN A 100 -6.417 -15.594 25.589 1.00 28.10 C ATOM 967 CG ASN A 100 -6.731 -14.194 26.021 1.00 27.75 C ATOM 968 OD1 ASN A 100 -6.661 -13.899 27.209 1.00 27.81 O ATOM 969 ND2 ASN A 100 -7.044 -13.311 25.067 1.00 27.15 N ATOM 970 HD22 ASN A 100 -7.090 -13.614 24.073 1.00 0.00 H ATOM 971 HD21 ASN A 100 -7.242 -12.322 25.319 1.00 0.00 H ATOM 972 H ASN A 100 -4.514 -15.118 23.804 1.00 0.00 H ATOM 973 N LEU A 101 -3.543 -17.835 25.147 1.00 30.35 N ATOM 974 CA LEU A 101 -3.221 -19.265 25.107 1.00 32.05 C ATOM 975 C LEU A 101 -3.222 -19.910 26.494 1.00 32.14 C ATOM 976 O LEU A 101 -3.619 -21.058 26.618 1.00 31.37 O ATOM 977 CB LEU A 101 -1.881 -19.537 24.405 1.00 32.40 C ATOM 978 CG LEU A 101 -1.962 -19.655 22.884 1.00 34.07 C ATOM 979 CD1 LEU A 101 -0.578 -19.895 22.297 1.00 34.53 C ATOM 980 CD2 LEU A 101 -2.923 -20.757 22.448 1.00 34.46 C ATOM 981 H LEU A 101 -2.877 -17.143 24.748 1.00 0.00 H ATOM 982 N GLY A 102 -2.805 -19.154 27.518 1.00 32.92 N ATOM 983 CA GLY A 102 -2.740 -19.632 28.901 1.00 32.33 C ATOM 984 C GLY A 102 -4.038 -20.085 29.549 1.00 32.31 C ATOM 985 O GLY A 102 -3.993 -20.855 30.515 1.00 33.77 O ATOM 986 H GLY A 102 -2.512 -18.176 27.321 1.00 0.00 H ATOM 987 N THR A 103 -5.184 -19.607 29.051 1.00 30.08 N ATOM 988 CA THR A 103 -6.500 -20.012 29.587 1.00 29.80 C ATOM 989 C THR A 103 -7.342 -20.817 28.599 1.00 28.66 C ATOM 990 O THR A 103 -8.491 -21.135 28.889 1.00 28.23 O ATOM 991 CB THR A 103 -7.314 -18.794 30.088 1.00 30.41 C ATOM 992 OG1 THR A 103 -7.664 -17.932 28.988 1.00 30.15 O ATOM 993 CG2 THR A 103 -6.515 -18.019 31.148 1.00 29.37 C ATOM 994 HG1 THR A 103 -8.183 -17.160 29.327 1.00 0.00 H ATOM 995 H THR A 103 -5.147 -18.930 28.263 1.00 0.00 H ATOM 996 N TYR A 104 -6.774 -21.152 27.442 1.00 29.24 N ATOM 997 CA TYR A 104 -7.429 -22.049 26.497 1.00 29.68 C ATOM 998 C TYR A 104 -7.712 -23.375 27.203 1.00 29.35 C ATOM 999 O TYR A 104 -6.796 -23.979 27.759 1.00 28.64 O ATOM 1000 CB TYR A 104 -6.555 -22.304 25.249 1.00 29.33 C ATOM 1001 CG TYR A 104 -7.252 -23.181 24.235 1.00 29.37 C ATOM 1002 CD1 TYR A 104 -7.232 -24.575 24.347 1.00 29.00 C ATOM 1003 CD2 TYR A 104 -7.968 -22.620 23.182 1.00 29.74 C ATOM 1004 CE1 TYR A 104 -7.897 -25.380 23.436 1.00 29.12 C ATOM 1005 CE2 TYR A 104 -8.633 -23.416 22.264 1.00 29.60 C ATOM 1006 CZ TYR A 104 -8.599 -24.794 22.399 1.00 29.83 C ATOM 1007 OH TYR A 104 -9.264 -25.580 21.490 1.00 30.34 O ATOM 1008 HH TYR A 104 -8.901 -25.414 20.584 1.00 0.00 H ATOM 1009 H TYR A 104 -5.839 -20.764 27.206 1.00 0.00 H ATOM 1010 N ASN A 105 -8.972 -23.806 27.173 1.00 30.31 N ATOM 1011 CA ASN A 105 -9.404 -25.040 27.825 1.00 31.67 C ATOM 1012 C ASN A 105 -10.076 -25.960 26.805 1.00 32.89 C ATOM 1013 O ASN A 105 -11.054 -25.561 26.145 1.00 30.80 O ATOM 1014 CB ASN A 105 -10.378 -24.721 28.955 1.00 32.78 C ATOM 1015 CG ASN A 105 -10.638 -25.918 29.858 1.00 33.68 C ATOM 1016 OD1 ASN A 105 -10.905 -27.021 29.383 1.00 32.80 O ATOM 1017 ND2 ASN A 105 -10.560 -25.700 31.169 1.00 34.17 N ATOM 1018 HD22 ASN A 105 -10.331 -24.750 31.525 1.00 0.00 H ATOM 1019 HD21 ASN A 105 -10.728 -26.480 31.837 1.00 0.00 H ATOM 1020 H ASN A 105 -9.679 -23.239 26.663 1.00 0.00 H ATOM 1021 N ARG A 106 -9.565 -27.190 26.696 1.00 33.50 N ATOM 1022 CA ARG A 106 -10.109 -28.191 25.755 1.00 34.46 C ATOM 1023 C ARG A 106 -11.556 -28.577 26.018 1.00 32.57 C ATOM 1024 O ARG A 106 -12.266 -28.950 25.076 1.00 31.49 O ATOM 1025 CB ARG A 106 -9.258 -29.464 25.729 1.00 37.05 C ATOM 1026 CG ARG A 106 -8.074 -29.397 24.791 1.00 38.79 C ATOM 1027 CD ARG A 106 -7.341 -30.719 24.800 1.00 42.20 C ATOM 1028 NE ARG A 106 -6.747 -31.009 26.105 1.00 44.80 N ATOM 1029 CZ ARG A 106 -5.600 -30.502 26.558 1.00 47.55 C ATOM 1030 NH1 ARG A 106 -4.878 -29.649 25.820 1.00 48.37 N ATOM 1031 NH2 ARG A 106 -5.165 -30.855 27.768 1.00 47.41 N ATOM 1032 HE ARG A 106 -7.261 -31.663 26.730 1.00 0.00 H ATOM 1033 HH12 ARG A 106 -3.986 -29.265 26.192 1.00 0.00 H ATOM 1034 HH11 ARG A 106 -5.209 -29.370 24.874 1.00 0.00 H ATOM 1035 HH22 ARG A 106 -4.272 -30.467 28.133 1.00 0.00 H ATOM 1036 HH21 ARG A 106 -5.719 -31.519 28.347 1.00 0.00 H ATOM 1037 H ARG A 106 -8.756 -27.452 27.295 1.00 0.00 H ATOM 1038 N LYS A 107 -11.990 -28.489 27.275 1.00 31.89 N ATOM 1039 CA LYS A 107 -13.397 -28.721 27.616 1.00 33.49 C ATOM 1040 C LYS A 107 -14.381 -27.790 26.870 1.00 34.28 C ATOM 1041 O LYS A 107 -15.542 -28.154 26.685 1.00 36.34 O ATOM 1042 CB LYS A 107 -13.618 -28.639 29.138 1.00 34.96 C ATOM 1043 CG LYS A 107 -14.006 -27.270 29.676 1.00 37.41 C ATOM 1044 CD LYS A 107 -13.940 -27.217 31.197 1.00 38.46 C ATOM 1045 CE LYS A 107 -14.342 -25.838 31.705 1.00 38.75 C ATOM 1046 NZ LYS A 107 -14.626 -25.784 33.168 1.00 38.70 N ATOM 1047 HZ1 LYS A 107 -15.408 -26.432 33.392 1.00 0.00 H ATOM 1048 HZ2 LYS A 107 -13.776 -26.068 33.696 1.00 0.00 H ATOM 1049 HZ3 LYS A 107 -14.892 -24.814 33.433 1.00 0.00 H ATOM 1050 H LYS A 107 -11.316 -28.251 28.030 1.00 0.00 H ATOM 1051 N TYR A 108 -13.939 -26.594 26.469 1.00 33.96 N ATOM 1052 CA TYR A 108 -14.794 -25.673 25.705 1.00 34.46 C ATOM 1053 C TYR A 108 -14.759 -25.910 24.195 1.00 34.75 C ATOM 1054 O TYR A 108 -15.583 -25.348 23.473 1.00 34.21 O ATOM 1055 CB TYR A 108 -14.447 -24.208 26.003 1.00 34.24 C ATOM 1056 CG TYR A 108 -14.745 -23.764 27.427 1.00 34.42 C ATOM 1057 CD1 TYR A 108 -16.018 -23.919 27.979 1.00 34.79 C ATOM 1058 CD2 TYR A 108 -13.766 -23.158 28.210 1.00 34.59 C ATOM 1059 CE1 TYR A 108 -16.299 -23.503 29.269 1.00 34.64 C ATOM 1060 CE2 TYR A 108 -14.037 -22.739 29.505 1.00 34.27 C ATOM 1061 CZ TYR A 108 -15.303 -22.916 30.026 1.00 33.96 C ATOM 1062 OH TYR A 108 -15.570 -22.511 31.300 1.00 34.19 O ATOM 1063 HH TYR A 108 -16.516 -22.709 31.517 1.00 0.00 H ATOM 1064 H TYR A 108 -12.967 -26.308 26.703 1.00 0.00 H ATOM 1065 N ALA A 109 -13.817 -26.717 23.707 1.00 35.86 N ATOM 1066 CA ALA A 109 -13.816 -27.111 22.298 1.00 36.95 C ATOM 1067 C ALA A 109 -15.065 -27.949 22.002 1.00 38.13 C ATOM 1068 O ALA A 109 -15.457 -28.785 22.814 1.00 36.40 O ATOM 1069 CB ALA A 109 -12.557 -27.886 21.957 1.00 37.53 C ATOM 1070 H ALA A 109 -13.071 -27.072 24.338 1.00 0.00 H ATOM 1071 N HIS A 110 -15.704 -27.678 20.864 1.00 39.96 N ATOM 1072 CA HIS A 110 -16.930 -28.366 20.446 1.00 42.82 C ATOM 1073 C HIS A 110 -18.038 -28.243 21.499 1.00 43.45 C ATOM 1074 O HIS A 110 -18.651 -29.240 21.901 1.00 45.47 O ATOM 1075 CB HIS A 110 -16.637 -29.844 20.119 1.00 44.89 C ATOM 1076 CG HIS A 110 -15.515 -30.040 19.145 1.00 46.74 C ATOM 1077 ND1 HIS A 110 -15.481 -29.425 17.910 1.00 48.78 N ATOM 1078 CD2 HIS A 110 -14.393 -30.793 19.220 1.00 48.74 C ATOM 1079 CE1 HIS A 110 -14.381 -29.781 17.273 1.00 50.67 C ATOM 1080 NE2 HIS A 110 -13.707 -30.617 18.043 1.00 52.13 N ATOM 1081 H HIS A 110 -15.314 -26.942 20.241 1.00 0.00 H ATOM 1082 N TYR A 111 -18.287 -27.010 21.937 1.00 42.27 N ATOM 1083 CA TYR A 111 -19.160 -26.754 23.079 1.00 41.44 C ATOM 1084 C TYR A 111 -20.620 -26.944 22.685 1.00 42.69 C ATOM 1085 O TYR A 111 -21.054 -26.361 21.691 1.00 44.25 O ATOM 1086 CB TYR A 111 -18.952 -25.332 23.589 1.00 41.06 C ATOM 1087 CG TYR A 111 -19.318 -25.092 25.038 1.00 40.44 C ATOM 1088 CD1 TYR A 111 -18.771 -25.866 26.064 1.00 38.99 C ATOM 1089 CD2 TYR A 111 -20.173 -24.045 25.392 1.00 40.88 C ATOM 1090 CE1 TYR A 111 -19.098 -25.628 27.390 1.00 39.44 C ATOM 1091 CE2 TYR A 111 -20.498 -23.797 26.718 1.00 39.85 C ATOM 1092 CZ TYR A 111 -19.955 -24.586 27.708 1.00 39.88 C ATOM 1093 OH TYR A 111 -20.271 -24.322 29.012 1.00 40.33 O ATOM 1094 HH TYR A 111 -19.807 -24.969 29.600 1.00 0.00 H ATOM 1095 H TYR A 111 -17.846 -26.204 21.450 1.00 0.00 H ATOM 1096 N PRO A 112 -21.377 -27.771 23.440 1.00 43.30 N ATOM 1097 CA PRO A 112 -22.810 -27.900 23.128 1.00 44.81 C ATOM 1098 C PRO A 112 -23.571 -26.588 23.341 1.00 46.28 C ATOM 1099 O PRO A 112 -23.414 -25.937 24.383 1.00 43.71 O ATOM 1100 CB PRO A 112 -23.311 -28.998 24.089 1.00 44.31 C ATOM 1101 CG PRO A 112 -22.209 -29.246 25.060 1.00 43.91 C ATOM 1102 CD PRO A 112 -20.934 -28.767 24.435 1.00 43.97 C ATOM 1103 N ASN A 113 -24.389 -26.223 22.354 1.00 47.34 N ATOM 1104 CA ASN A 113 -25.003 -24.899 22.301 1.00 48.09 C ATOM 1105 C ASN A 113 -26.040 -24.693 23.419 1.00 47.03 C ATOM 1106 O ASN A 113 -26.246 -23.571 23.876 1.00 45.60 O ATOM 1107 CB ASN A 113 -25.609 -24.638 20.911 1.00 51.57 C ATOM 1108 CG ASN A 113 -25.350 -23.222 20.417 1.00 53.66 C ATOM 1109 OD1 ASN A 113 -24.243 -22.898 19.964 1.00 51.80 O ATOM 1110 ND2 ASN A 113 -26.370 -22.370 20.504 1.00 54.46 N ATOM 1111 HD22 ASN A 113 -27.281 -22.688 20.892 1.00 0.00 H ATOM 1112 HD21 ASN A 113 -26.255 -21.387 20.184 1.00 0.00 H ATOM 1113 H ASN A 113 -24.597 -26.904 21.596 1.00 0.00 H ATOM 1114 N LYS A 114 -26.665 -25.780 23.867 1.00 46.89 N ATOM 1115 CA LYS A 114 -27.540 -25.767 25.053 1.00 47.67 C ATOM 1116 C LYS A 114 -26.885 -25.212 26.320 1.00 43.76 C ATOM 1117 O LYS A 114 -27.587 -24.686 27.184 1.00 43.71 O ATOM 1118 CB LYS A 114 -28.082 -27.178 25.355 1.00 51.89 C ATOM 1119 CG LYS A 114 -27.013 -28.209 25.712 1.00 56.31 C ATOM 1120 CD LYS A 114 -27.590 -29.608 25.903 1.00 60.51 C ATOM 1121 CE LYS A 114 -28.073 -29.847 27.329 1.00 64.43 C ATOM 1122 NZ LYS A 114 -28.290 -31.300 27.592 1.00 67.39 N ATOM 1123 HZ1 LYS A 114 -29.007 -31.667 26.934 1.00 0.00 H ATOM 1124 HZ2 LYS A 114 -27.396 -31.813 27.455 1.00 0.00 H ATOM 1125 HZ3 LYS A 114 -28.618 -31.429 28.570 1.00 0.00 H ATOM 1126 H LYS A 114 -26.530 -26.677 23.358 1.00 0.00 H ATOM 1127 N LEU A 115 -25.562 -25.350 26.440 1.00 39.74 N ATOM 1128 CA LEU A 115 -24.827 -24.819 27.594 1.00 37.35 C ATOM 1129 C LEU A 115 -24.582 -23.305 27.533 1.00 34.95 C ATOM 1130 O LEU A 115 -24.139 -22.721 28.520 1.00 31.53 O ATOM 1131 CB LEU A 115 -23.491 -25.563 27.803 1.00 38.23 C ATOM 1132 CG LEU A 115 -23.523 -27.002 28.347 1.00 39.61 C ATOM 1133 CD1 LEU A 115 -22.120 -27.581 28.467 1.00 39.47 C ATOM 1134 CD2 LEU A 115 -24.213 -27.059 29.703 1.00 40.32 C ATOM 1135 H LEU A 115 -25.037 -25.849 25.693 1.00 0.00 H ATOM 1136 N CYS A 116 -24.853 -22.669 26.391 1.00 33.66 N ATOM 1137 CA CYS A 116 -24.745 -21.211 26.286 1.00 32.63 C ATOM 1138 C CYS A 116 -25.978 -20.539 26.906 1.00 31.97 C ATOM 1139 O CYS A 116 -27.090 -20.705 26.406 1.00 34.31 O ATOM 1140 CB CYS A 116 -24.556 -20.779 24.825 1.00 31.27 C ATOM 1141 SG CYS A 116 -23.006 -21.370 24.092 1.00 30.51 S ATOM 1142 H CYS A 116 -25.147 -23.219 25.559 1.00 0.00 H ATOM 1143 N THR A 117 -25.763 -19.797 27.994 1.00 31.47 N ATOM 1144 CA THR A 117 -26.824 -19.107 28.739 1.00 32.04 C ATOM 1145 C THR A 117 -26.413 -17.668 29.094 1.00 33.44 C ATOM 1146 O THR A 117 -25.242 -17.292 28.949 1.00 33.30 O ATOM 1147 CB THR A 117 -27.123 -19.824 30.070 1.00 30.30 C ATOM 1148 OG1 THR A 117 -25.929 -19.843 30.875 1.00 28.47 O ATOM 1149 CG2 THR A 117 -27.631 -21.250 29.817 1.00 30.04 C ATOM 1150 HG1 THR A 117 -26.117 -20.303 31.731 1.00 0.00 H ATOM 1151 H THR A 117 -24.785 -19.702 28.335 1.00 0.00 H ATOM 1152 N GLY A 118 -27.382 -16.892 29.588 1.00 33.16 N ATOM 1153 CA GLY A 118 -27.172 -15.496 29.955 1.00 32.06 C ATOM 1154 C GLY A 118 -27.571 -14.542 28.848 1.00 32.89 C ATOM 1155 O GLY A 118 -28.138 -14.958 27.828 1.00 33.35 O ATOM 1156 H GLY A 118 -28.329 -17.302 29.717 1.00 0.00 H ATOM 1157 N PRO A 119 -27.285 -13.246 29.046 1.00 32.86 N ATOM 1158 CA PRO A 119 -27.517 -12.267 28.007 1.00 32.93 C ATOM 1159 C PRO A 119 -26.407 -12.328 26.960 1.00 32.38 C ATOM 1160 O PRO A 119 -25.355 -12.918 27.197 1.00 29.70 O ATOM 1161 CB PRO A 119 -27.450 -10.937 28.762 1.00 33.65 C ATOM 1162 CG PRO A 119 -26.494 -11.192 29.882 1.00 33.96 C ATOM 1163 CD PRO A 119 -26.570 -12.665 30.201 1.00 33.53 C ATOM 1164 N THR A 120 -26.675 -11.705 25.820 1.00 33.27 N ATOM 1165 CA THR A 120 -25.714 -11.516 24.754 1.00 32.41 C ATOM 1166 C THR A 120 -25.123 -10.124 24.935 1.00 31.70 C ATOM 1167 O THR A 120 -25.848 -9.145 24.795 1.00 31.97 O ATOM 1168 CB THR A 120 -26.423 -11.621 23.392 1.00 33.97 C ATOM 1169 OG1 THR A 120 -27.027 -12.918 23.285 1.00 34.48 O ATOM 1170 CG2 THR A 120 -25.452 -11.380 22.198 1.00 34.24 C ATOM 1171 HG1 THR A 120 -27.684 -13.036 24.016 1.00 0.00 H ATOM 1172 H THR A 120 -27.635 -11.329 25.684 1.00 0.00 H ATOM 1173 N PRO A 121 -23.816 -10.024 25.256 1.00 31.24 N ATOM 1174 CA PRO A 121 -23.204 -8.698 25.368 1.00 31.82 C ATOM 1175 C PRO A 121 -23.173 -7.974 24.015 1.00 33.86 C ATOM 1176 O PRO A 121 -22.969 -8.627 22.983 1.00 35.59 O ATOM 1177 CB PRO A 121 -21.785 -8.980 25.862 1.00 31.51 C ATOM 1178 CG PRO A 121 -21.536 -10.432 25.651 1.00 31.19 C ATOM 1179 CD PRO A 121 -22.832 -11.117 25.357 1.00 31.34 C ATOM 1180 N PRO A 122 -23.389 -6.642 24.011 1.00 33.24 N ATOM 1181 CA PRO A 122 -23.466 -5.925 22.750 1.00 33.01 C ATOM 1182 C PRO A 122 -22.061 -5.691 22.193 1.00 30.58 C ATOM 1183 O PRO A 122 -21.074 -5.872 22.917 1.00 30.94 O ATOM 1184 CB PRO A 122 -24.092 -4.594 23.171 1.00 33.90 C ATOM 1185 CG PRO A 122 -23.439 -4.328 24.497 1.00 34.17 C ATOM 1186 CD PRO A 122 -23.231 -5.694 25.136 1.00 34.40 C ATOM 1187 N CYS A 123 -21.965 -5.291 20.931 1.00 29.01 N ATOM 1188 CA CYS A 123 -20.649 -4.981 20.348 1.00 29.58 C ATOM 1189 C CYS A 123 -20.089 -3.710 20.956 1.00 30.81 C ATOM 1190 O CYS A 123 -18.881 -3.598 21.162 1.00 33.44 O ATOM 1191 CB CYS A 123 -20.724 -4.863 18.826 1.00 27.10 C ATOM 1192 SG CYS A 123 -21.008 -6.448 18.030 1.00 25.68 S ATOM 1193 OXT CYS A 123 -20.847 -2.796 21.277 1.00 33.16 O ATOM 1194 H CYS A 123 -22.823 -5.196 20.351 1.00 0.00 H TER 1195 CYS A 123 HETATM 1196 CA CA A 1 -18.814 -16.681 15.716 1.00 51.60 CA HETATM 1197 O HOH 2 -13.028 -14.325 5.461 1.00 34.76 O HETATM 1198 O HOH 3 -5.685 -5.472 13.414 1.00 31.86 O HETATM 1199 O HOH 4 -9.736 -16.745 5.504 1.00 36.37 O HETATM 1200 O HOH 5 -6.267 -15.706 29.044 1.00 25.33 O HETATM 1201 O HOH 6 -10.958 -14.738 6.631 1.00 17.90 O HETATM 1202 O HOH 7 -28.194 -21.844 24.096 1.00 35.65 O HETATM 1203 O HOH 8 -8.305 -0.762 10.780 1.00 23.84 O HETATM 1204 O HOH 9 -5.810 -8.658 19.494 1.00 23.85 O HETATM 1205 O HOH 10 -22.325 -13.385 17.073 1.00 33.55 O HETATM 1206 O HOH 11 -20.858 -10.670 12.367 1.00 31.53 O HETATM 1207 O HOH 12 5.537 -9.264 3.694 1.00 20.15 O HETATM 1208 O HOH 13 -13.184 -6.754 -2.098 1.00 12.97 O HETATM 1209 O HOH 14 -8.428 -9.286 27.736 1.00 28.70 O HETATM 1210 O HOH 15 -9.438 -18.696 27.096 1.00 25.18 O HETATM 1211 O HOH 16 -9.945 -16.932 30.042 1.00 30.81 O HETATM 1212 O HOH 17 -1.967 -16.597 27.949 1.00 40.75 O HETATM 1213 O HOH 18 -2.619 -16.003 -0.732 1.00 32.60 O HETATM 1214 O HOH 19 -19.143 -0.132 9.999 1.00 22.55 O HETATM 1215 O HOH 20 -19.333 -21.643 19.233 1.00 33.49 O HETATM 1216 O HOH 21 -16.168 -7.936 22.211 1.00 21.67 O HETATM 1217 O HOH 22 -1.196 1.177 1.828 1.00 33.97 O HETATM 1218 O HOH 23 -11.915 -10.623 -1.769 1.00 25.74 O HETATM 1219 O HOH 24 -23.133 -18.993 28.182 1.00 26.04 O HETATM 1220 O HOH 25 -6.455 -19.118 22.897 1.00 26.19 O HETATM 1221 O HOH 26 -19.252 -13.270 10.734 1.00 41.02 O HETATM 1222 O HOH 27 -3.772 -1.865 8.116 1.00 24.82 O HETATM 1223 O HOH 28 -29.083 -10.283 26.000 1.00 35.73 O HETATM 1224 O HOH 29 -7.849 -10.561 25.329 1.00 29.21 O HETATM 1225 O HOH 30 1.293 -8.229 14.505 1.00 22.86 O HETATM 1226 O HOH 31 -10.791 -10.518 18.210 1.00 19.58 O HETATM 1227 O HOH 32 -11.323 2.181 -1.085 1.00 4.13 O HETATM 1228 O HOH 33 -10.617 -11.536 24.518 1.00 17.98 O HETATM 1229 O HOH 34 -24.619 -28.007 20.129 1.00 31.33 O HETATM 1230 O HOH 35 -12.293 -6.340 16.505 1.00 12.81 O HETATM 1231 O HOH 36 -21.568 -23.484 20.998 1.00 33.54 O HETATM 1232 O HOH 37 -14.893 -5.504 17.884 1.00 27.94 O HETATM 1233 O HOH 38 -24.296 -15.787 31.257 1.00 33.82 O HETATM 1234 O HOH 39 -11.495 -26.983 33.643 1.00 32.44 O HETATM 1235 O HOH 40 -7.109 -27.975 28.146 1.00 22.96 O HETATM 1236 O HOH 41 -11.215 -9.189 15.773 1.00 11.92 O HETATM 1237 O HOH 42 -20.866 -4.821 14.600 1.00 28.24 O HETATM 1238 O HOH 43 -20.582 -19.787 17.280 1.00 31.78 O HETATM 1239 O HOH 44 -7.529 -30.493 29.546 1.00 28.58 O HETATM 1240 O HOH 45 -7.885 -8.085 20.851 1.00 20.06 O HETATM 1241 O HOH 46 -29.233 -14.104 24.928 1.00 48.25 O HETATM 1242 O HOH 47 -24.372 -5.425 19.103 1.00 30.58 O HETATM 1243 O HOH 48 -1.049 -14.701 1.888 1.00 24.99 O HETATM 1244 O HOH 49 -13.540 -14.438 30.666 1.00 17.75 O HETATM 1245 O HOH 50 -26.160 4.134 10.122 1.00 30.12 O HETATM 1246 O HOH 51 -1.813 -4.363 -0.053 1.00 16.78 O HETATM 1247 O HOH 52 -19.304 -3.074 16.171 1.00 30.05 O HETATM 1248 O HOH 53 -2.419 -29.626 28.652 1.00 30.19 O HETATM 1249 O HOH 54 -19.800 -11.395 4.525 1.00 27.16 O HETATM 1250 O HOH 55 -0.406 -3.767 2.173 1.00 28.98 O HETATM 1251 O HOH 56 -1.410 -9.013 21.415 1.00 22.00 O HETATM 1252 O HOH 57 -10.660 -0.674 -2.774 1.00 17.50 O HETATM 1253 O HOH 58 -3.949 -24.102 31.004 1.00 39.64 O HETATM 1254 O HOH 59 4.508 -15.563 5.806 1.00 23.81 O HETATM 1255 O HOH 60 -11.665 -9.600 23.014 1.00 24.10 O HETATM 1256 O HOH 61 -15.923 -5.743 20.489 1.00 30.77 O HETATM 1257 O HOH 62 -13.965 -8.438 23.477 1.00 18.13 O HETATM 1258 O HOH 63 -14.604 -4.284 -2.324 1.00 21.03 O HETATM 1259 O HOH 64 -20.622 -0.238 12.069 1.00 27.77 O HETATM 1260 O HOH 65 -22.423 -6.905 14.815 1.00 32.56 O HETATM 1261 O HOH 66 -10.225 -8.825 20.217 1.00 20.92 O HETATM 1262 O HOH 67 -4.288 -6.400 18.438 1.00 29.23 O HETATM 1263 OAM UNN A 68 -19.609 -15.971 11.238 1.00 -0.57 O HETATM 1264 CAL UNN A 68 -18.746 -16.104 12.136 1.00 0.07 C HETATM 1265 OAN UNN A 68 -18.996 -16.280 13.346 1.00 -0.57 O HETATM 1266 CAK UNN A 68 -17.255 -15.995 11.737 1.00 0.12 C HETATM 1267 OAJ UNN A 68 -16.443 -16.859 12.573 1.00 -0.31 O HETATM 1268 CAA UNN A 68 -16.091 -18.142 12.218 1.00 0.08 C HETATM 1269 CAB UNN A 68 -16.798 -18.845 11.226 1.00 -0.05 C HETATM 1270 CAC UNN A 68 -16.408 -20.130 10.908 1.00 -0.09 C HETATM 1271 CAD UNN A 68 -15.334 -20.677 11.599 1.00 -0.06 C HETATM 1272 CAE UNN A 68 -14.676 -19.985 12.547 1.00 0.06 C HETATM 1273 CAF UNN A 68 -15.034 -18.715 12.874 1.00 0.02 C HETATM 1274 CAI UNN A 68 -14.181 -18.324 13.859 1.00 0.04 C HETATM 1275 CAO UNN A 68 -14.162 -17.128 14.510 1.00 0.20 C HETATM 1276 OAQ UNN A 68 -13.174 -16.395 14.573 1.00 -0.37 O HETATM 1277 CAP UNN A 68 -15.436 -16.665 15.231 1.00 0.26 C HETATM 1278 OAS UNN A 68 -16.465 -17.333 15.244 1.00 -0.36 O HETATM 1279 NAR UNN A 68 -15.362 -15.468 15.771 1.00 -0.29 N HETATM 1280 H6 UNN A 68 -16.148 -15.091 16.260 1.00 0.18 H HETATM 1281 H7 UNN A 68 -14.519 -14.935 15.693 1.00 0.18 H HETATM 1282 CAH UNN A 68 -13.338 -19.333 14.090 1.00 0.07 C HETATM 1283 CBE UNN A 68 -12.197 -19.317 15.125 1.00 0.00 C HETATM 1284 H8 UNN A 68 -12.189 -18.349 15.647 1.00 0.05 H HETATM 1285 H9 UNN A 68 -11.235 -19.466 14.613 1.00 0.05 H HETATM 1286 H10 UNN A 68 -12.352 -20.125 15.855 1.00 0.05 H HETATM 1287 NAG UNN A 68 -13.624 -20.368 13.283 1.00 -0.24 N HETATM 1288 CAT UNN A 68 -12.964 -21.743 13.159 1.00 0.09 C HETATM 1289 CAU UNN A 68 -12.138 -21.811 11.961 1.00 -0.00 C HETATM 1290 CAZ UNN A 68 -12.096 -22.880 10.995 1.00 -0.01 C HETATM 1291 CBD UNN A 68 -12.896 -24.040 11.054 1.00 -0.05 C HETATM 1292 CBC UNN A 68 -12.826 -25.046 10.075 1.00 -0.06 C HETATM 1293 CBB UNN A 68 -11.950 -24.936 8.994 1.00 -0.06 C HETATM 1294 CBA UNN A 68 -11.143 -23.808 8.897 1.00 -0.06 C HETATM 1295 CAY UNN A 68 -11.217 -22.803 9.876 1.00 -0.02 C HETATM 1296 CAX UNN A 68 -10.389 -21.711 9.706 1.00 -0.06 C HETATM 1297 CAW UNN A 68 -10.416 -20.685 10.634 1.00 -0.07 C HETATM 1298 CAV UNN A 68 -11.264 -20.734 11.737 1.00 -0.06 C HETATM 1299 H19 UNN A 68 -11.249 -19.914 12.446 1.00 0.05 H HETATM 1300 H18 UNN A 68 -9.766 -19.828 10.500 1.00 0.06 H HETATM 1301 H17 UNN A 68 -9.723 -21.658 8.852 1.00 0.05 H HETATM 1302 H16 UNN A 68 -10.456 -23.704 8.065 1.00 0.06 H HETATM 1303 H15 UNN A 68 -11.900 -25.716 8.243 1.00 0.06 H HETATM 1304 H14 UNN A 68 -13.461 -25.920 10.161 1.00 0.06 H HETATM 1305 H13 UNN A 68 -13.587 -24.160 11.881 1.00 0.06 H HETATM 1306 H11 UNN A 68 -13.745 -22.515 13.103 1.00 0.08 H HETATM 1307 H12 UNN A 68 -12.334 -21.922 14.043 1.00 0.08 H HETATM 1308 H5 UNN A 68 -15.018 -21.688 11.368 1.00 0.04 H HETATM 1309 H4 UNN A 68 -16.925 -20.696 10.141 1.00 0.05 H HETATM 1310 H3 UNN A 68 -17.637 -18.384 10.718 1.00 0.04 H HETATM 1311 H1 UNN A 68 -16.922 -14.954 11.861 1.00 0.08 H HETATM 1312 H2 UNN A 68 -17.139 -16.295 10.685 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 238 237 1141 CONECT 243 242 1196 CONECT 259 258 402 CONECT 264 263 1196 CONECT 278 277 1196 CONECT 395 394 914 CONECT 402 259 401 CONECT 438 437 1196 CONECT 446 445 1192 CONECT 453 452 847 CONECT 542 541 776 CONECT 723 722 830 CONECT 776 542 775 CONECT 830 723 829 CONECT 847 453 846 CONECT 914 395 913 CONECT 1141 238 1140 CONECT 1192 446 1191 CONECT 1196 243 264 278 438 CONECT 1263 1264 CONECT 1264 1263 1265 1266 CONECT 1265 1264 CONECT 1266 1264 1267 1311 1312 CONECT 1267 1266 1268 CONECT 1268 1267 1269 1273 CONECT 1269 1268 1270 1310 CONECT 1270 1269 1271 1309 CONECT 1271 1270 1272 1308 CONECT 1272 1271 1273 1287 CONECT 1273 1268 1272 1274 CONECT 1274 1273 1275 1282 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1281 CONECT 1280 1279 CONECT 1281 1279 CONECT 1282 1274 1283 1287 CONECT 1283 1282 1284 1285 1286 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1283 CONECT 1287 1272 1282 1288 CONECT 1288 1287 1289 1306 1307 CONECT 1289 1288 1290 1298 CONECT 1290 1289 1291 1295 CONECT 1291 1290 1292 1305 CONECT 1292 1291 1293 1304 CONECT 1293 1292 1294 1303 CONECT 1294 1293 1295 1302 CONECT 1295 1290 1294 1296 CONECT 1296 1295 1297 1301 CONECT 1297 1296 1298 1300 CONECT 1298 1289 1297 1299 CONECT 1299 1298 CONECT 1300 1297 CONECT 1301 1296 CONECT 1302 1294 CONECT 1303 1293 CONECT 1304 1292 CONECT 1305 1291 CONECT 1306 1288 CONECT 1307 1288 CONECT 1308 1271 CONECT 1309 1270 CONECT 1310 1269 CONECT 1311 1266 CONECT 1312 1266 MASTER 0 0 0 0 0 0 0 0 1311 1 73 10 END
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Related entries of code: 5wzs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
5wzt
RCSB PDB
PDBbind
123aa, >5WZT_1|Chain... at 100%
5wzu
RCSB PDB
PDBbind
123aa, >5WZU_1|Chain... at 100%
5wzv
RCSB PDB
PDBbind
123aa, >5WZV_1|Chain... at 100%
5wzw
RCSB PDB
PDBbind
123aa, >5WZW_1|Chain... at 100%
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
5wzs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Group IIE secretory phospholipase A2
Ligand Name
7W9
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=0.28uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 10815-10815
Ligand Properties
Formula
C
2
4
H
2
0
N
2
O
5
Molecular Weight
416.426
Exact Mass
416.137
No. of atoms
51
No. of bonds
54
Polar Surface Area
111.62
LOGP Value
4.45 (
Computed with XLOGP3
)
3.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
OC(=O)COc1cccc2c1c(C(=O)C(=O)N)c(n2Cc1cccc2c1cccc2)C
InChI String
InChI=1S/C24H20N2O5/c1-14-21(23(29)24(25)30)22-18(10-5-11-19(22)31-13-20(27)28)26(14)12-16-8-4-7-15-6-2-3-9-17(15)16/h2-11H,12-13H2,1H3,(H2,25,30)(H,27,28)
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):
Q9NZK7
Entrez Gene ID
NCBI Entrez Gene ID:
30814
ASD
Information of known allosteric effects of PDB entries
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