Browse entries in the PDBbind-CN Database
HEADER 5WZV_COMPLEX COMPND 5WZV_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 227 54 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 15.212 18.869 3.089 1.00 72.32 N ATOM 2 CA ASN A 1 13.895 18.702 2.382 1.00 75.83 C ATOM 3 C ASN A 1 12.785 18.337 3.382 1.00 73.71 C ATOM 4 O ASN A 1 12.206 17.235 3.326 1.00 69.00 O ATOM 5 CB ASN A 1 14.000 17.632 1.276 1.00 77.40 C ATOM 6 CG ASN A 1 14.704 18.128 0.013 1.00 78.88 C ATOM 7 OD1 ASN A 1 14.754 17.410 -0.996 1.00 79.39 O ATOM 8 ND2 ASN A 1 15.242 19.347 0.052 1.00 75.76 N ATOM 9 HD22 ASN A 1 15.177 19.916 0.920 1.00 0.00 H ATOM 10 HD21 ASN A 1 15.727 19.729 -0.785 1.00 0.00 H ATOM 11 HN3 ASN A 1 15.465 17.979 3.563 1.00 0.00 H ATOM 12 HN2 ASN A 1 15.131 19.628 3.795 1.00 0.00 H ATOM 13 HN1 ASN A 1 15.947 19.115 2.396 1.00 0.00 H ATOM 14 N LEU A 2 12.497 19.275 4.291 1.00 70.10 N ATOM 15 CA LEU A 2 11.618 18.998 5.436 1.00 69.25 C ATOM 16 C LEU A 2 10.404 19.935 5.592 1.00 60.77 C ATOM 17 O LEU A 2 10.054 20.309 6.716 1.00 52.71 O ATOM 18 CB LEU A 2 12.416 18.945 6.758 1.00 73.98 C ATOM 19 CG LEU A 2 13.799 18.280 6.846 1.00 76.45 C ATOM 20 CD1 LEU A 2 14.437 18.734 8.155 1.00 77.86 C ATOM 21 CD2 LEU A 2 13.783 16.749 6.742 1.00 74.33 C ATOM 22 H LEU A 2 12.906 20.225 4.185 1.00 0.00 H ATOM 23 N VAL A 3 9.733 20.276 4.487 1.00 56.44 N ATOM 24 CA VAL A 3 8.472 21.031 4.595 1.00 50.73 C ATOM 25 C VAL A 3 7.321 20.106 5.037 1.00 43.02 C ATOM 26 O VAL A 3 6.485 20.527 5.832 1.00 43.55 O ATOM 27 CB VAL A 3 8.165 21.919 3.349 1.00 53.39 C ATOM 28 CG1 VAL A 3 7.115 21.301 2.420 1.00 53.35 C ATOM 29 CG2 VAL A 3 7.734 23.322 3.800 1.00 52.72 C ATOM 30 H VAL A 3 10.101 20.009 3.552 1.00 0.00 H ATOM 31 N GLN A 4 7.299 18.849 4.575 1.00 39.66 N ATOM 32 CA GLN A 4 6.307 17.854 5.025 1.00 35.71 C ATOM 33 C GLN A 4 6.410 17.551 6.534 1.00 31.72 C ATOM 34 O GLN A 4 5.404 17.500 7.244 1.00 31.67 O ATOM 35 CB GLN A 4 6.428 16.558 4.199 1.00 36.65 C ATOM 36 CG GLN A 4 6.035 16.673 2.722 1.00 35.30 C ATOM 37 CD GLN A 4 4.524 16.733 2.497 1.00 36.65 C ATOM 38 OE1 GLN A 4 3.813 17.565 3.076 1.00 34.60 O ATOM 39 NE2 GLN A 4 4.027 15.857 1.631 1.00 36.79 N ATOM 40 HE22 GLN A 4 4.656 15.173 1.164 1.00 0.00 H ATOM 41 HE21 GLN A 4 3.009 15.855 1.420 1.00 0.00 H ATOM 42 H GLN A 4 8.009 18.563 3.871 1.00 0.00 H ATOM 43 N PHE A 5 7.631 17.366 7.038 1.00 28.26 N ATOM 44 CA PHE A 5 7.827 17.143 8.505 1.00 25.76 C ATOM 45 C PHE A 5 7.345 18.344 9.341 1.00 23.33 C ATOM 46 O PHE A 5 6.605 18.178 10.305 1.00 20.49 O ATOM 47 CB PHE A 5 9.283 16.800 8.829 1.00 24.42 C ATOM 48 CG PHE A 5 9.555 16.484 10.294 1.00 24.11 C ATOM 49 CD1 PHE A 5 8.608 15.850 11.122 1.00 22.46 C ATOM 50 CD2 PHE A 5 10.772 16.827 10.850 1.00 23.67 C ATOM 51 CE1 PHE A 5 8.890 15.570 12.438 1.00 21.57 C ATOM 52 CE2 PHE A 5 11.059 16.542 12.185 1.00 22.69 C ATOM 53 CZ PHE A 5 10.122 15.910 12.979 1.00 22.12 C ATOM 54 H PHE A 5 8.456 17.377 6.405 1.00 0.00 H ATOM 55 N GLY A 6 7.736 19.549 8.926 1.00 23.28 N ATOM 56 CA GLY A 6 7.237 20.788 9.508 1.00 22.63 C ATOM 57 C GLY A 6 5.732 20.878 9.492 1.00 23.86 C ATOM 58 O GLY A 6 5.114 21.286 10.478 1.00 24.16 O ATOM 59 H GLY A 6 8.428 19.607 8.152 1.00 0.00 H ATOM 60 N VAL A 7 5.121 20.488 8.380 1.00 24.85 N ATOM 61 CA VAL A 7 3.661 20.487 8.298 1.00 25.58 C ATOM 62 C VAL A 7 3.062 19.505 9.306 1.00 23.64 C ATOM 63 O VAL A 7 2.078 19.825 9.988 1.00 22.31 O ATOM 64 CB VAL A 7 3.162 20.210 6.856 1.00 28.12 C ATOM 65 CG1 VAL A 7 1.652 19.920 6.824 1.00 27.19 C ATOM 66 CG2 VAL A 7 3.479 21.416 5.968 1.00 29.34 C ATOM 67 H VAL A 7 5.684 20.181 7.562 1.00 0.00 H ATOM 68 N MET A 8 3.678 18.332 9.419 1.00 22.33 N ATOM 69 CA MET A 8 3.237 17.332 10.383 1.00 20.94 C ATOM 70 C MET A 8 3.367 17.830 11.821 1.00 20.96 C ATOM 71 O MET A 8 2.455 17.637 12.642 1.00 18.86 O ATOM 72 CB MET A 8 4.026 16.044 10.197 1.00 21.24 C ATOM 73 CG MET A 8 3.575 14.884 11.056 1.00 20.96 C ATOM 74 SD MET A 8 4.630 13.428 10.868 1.00 21.00 S ATOM 75 CE MET A 8 4.170 12.943 9.212 1.00 21.41 C ATOM 76 H MET A 8 4.492 18.124 8.806 1.00 0.00 H ATOM 77 N ILE A 9 4.495 18.461 12.136 1.00 22.99 N ATOM 78 CA ILE A 9 4.679 19.073 13.462 1.00 23.67 C ATOM 79 C ILE A 9 3.546 20.063 13.770 1.00 24.26 C ATOM 80 O ILE A 9 2.890 19.974 14.816 1.00 24.46 O ATOM 81 CB ILE A 9 6.055 19.771 13.587 1.00 23.77 C ATOM 82 CG1 ILE A 9 7.172 18.723 13.673 1.00 23.87 C ATOM 83 CG2 ILE A 9 6.104 20.657 14.824 1.00 24.14 C ATOM 84 CD1 ILE A 9 8.531 19.254 13.306 1.00 23.92 C ATOM 85 H ILE A 9 5.260 18.523 11.434 1.00 0.00 H ATOM 86 N GLU A 10 3.286 20.975 12.853 1.00 26.61 N ATOM 87 CA GLU A 10 2.250 21.989 13.102 1.00 29.96 C ATOM 88 C GLU A 10 0.878 21.362 13.255 1.00 28.53 C ATOM 89 O GLU A 10 0.149 21.698 14.179 1.00 27.58 O ATOM 90 CB GLU A 10 2.220 23.029 12.003 1.00 34.83 C ATOM 91 CG GLU A 10 3.486 23.867 11.910 1.00 41.21 C ATOM 92 CD GLU A 10 3.334 25.088 11.012 1.00 45.19 C ATOM 93 OE1 GLU A 10 2.250 25.712 11.037 1.00 51.56 O ATOM 94 OE2 GLU A 10 4.302 25.417 10.287 1.00 48.56 O ATOM 95 H GLU A 10 3.812 20.977 11.956 1.00 0.00 H ATOM 96 N LYS A 11 0.540 20.429 12.373 1.00 29.56 N ATOM 97 CA LYS A 11 -0.737 19.717 12.506 1.00 31.65 C ATOM 98 C LYS A 11 -0.877 19.047 13.874 1.00 30.29 C ATOM 99 O LYS A 11 -1.902 19.173 14.509 1.00 30.77 O ATOM 100 CB LYS A 11 -0.932 18.689 11.381 1.00 34.62 C ATOM 101 CG LYS A 11 -1.662 19.269 10.176 1.00 38.40 C ATOM 102 CD LYS A 11 -1.711 18.303 8.994 1.00 40.64 C ATOM 103 CE LYS A 11 -2.905 18.569 8.075 1.00 41.12 C ATOM 104 NZ LYS A 11 -3.125 20.019 7.818 1.00 40.94 N ATOM 105 HZ1 LYS A 11 -3.303 20.507 8.719 1.00 0.00 H ATOM 106 HZ2 LYS A 11 -2.280 20.422 7.365 1.00 0.00 H ATOM 107 HZ3 LYS A 11 -3.946 20.138 7.190 1.00 0.00 H ATOM 108 H LYS A 11 1.181 20.202 11.586 1.00 0.00 H ATOM 109 N MET A 12 0.167 18.359 14.328 1.00 30.21 N ATOM 110 CA MET A 12 0.095 17.583 15.563 1.00 28.69 C ATOM 111 C MET A 12 0.277 18.397 16.845 1.00 28.00 C ATOM 112 O MET A 12 -0.175 17.969 17.898 1.00 26.93 O ATOM 113 CB MET A 12 1.128 16.443 15.539 1.00 29.50 C ATOM 114 CG MET A 12 0.951 15.403 14.432 1.00 30.70 C ATOM 115 SD MET A 12 -0.756 14.902 14.131 1.00 31.30 S ATOM 116 CE MET A 12 -1.102 14.074 15.658 1.00 29.86 C ATOM 117 H MET A 12 1.057 18.374 13.790 1.00 0.00 H ATOM 118 N THR A 13 0.946 19.544 16.785 1.00 29.22 N ATOM 119 CA THR A 13 1.248 20.283 18.016 1.00 31.11 C ATOM 120 C THR A 13 0.527 21.630 18.214 1.00 33.33 C ATOM 121 O THR A 13 0.531 22.151 19.327 1.00 37.01 O ATOM 122 CB THR A 13 2.760 20.504 18.182 1.00 27.85 C ATOM 123 OG1 THR A 13 3.236 21.392 17.169 1.00 26.76 O ATOM 124 CG2 THR A 13 3.510 19.181 18.118 1.00 26.72 C ATOM 125 HG1 THR A 13 3.059 20.999 16.278 1.00 0.00 H ATOM 126 H THR A 13 1.255 19.918 15.865 1.00 0.00 H ATOM 127 N GLY A 14 -0.052 22.213 17.168 1.00 33.59 N ATOM 128 CA GLY A 14 -0.557 23.595 17.259 1.00 33.01 C ATOM 129 C GLY A 14 0.539 24.669 17.246 1.00 35.54 C ATOM 130 O GLY A 14 0.226 25.858 17.181 1.00 38.39 O ATOM 131 H GLY A 14 -0.150 21.688 16.276 1.00 0.00 H ATOM 132 N LYS A 15 1.820 24.271 17.285 1.00 33.16 N ATOM 133 CA LYS A 15 2.934 25.210 17.218 1.00 31.64 C ATOM 134 C LYS A 15 3.518 25.202 15.836 1.00 30.93 C ATOM 135 O LYS A 15 3.475 24.205 15.149 1.00 33.82 O ATOM 136 CB LYS A 15 4.045 24.830 18.194 1.00 30.18 C ATOM 137 CG LYS A 15 3.639 24.845 19.647 1.00 30.18 C ATOM 138 CD LYS A 15 4.782 24.382 20.528 1.00 30.68 C ATOM 139 CE LYS A 15 4.293 24.039 21.915 1.00 30.52 C ATOM 140 NZ LYS A 15 3.803 25.223 22.643 1.00 31.09 N ATOM 141 HZ1 LYS A 15 4.573 25.916 22.734 1.00 0.00 H ATOM 142 HZ2 LYS A 15 3.013 25.649 22.118 1.00 0.00 H ATOM 143 HZ3 LYS A 15 3.478 24.937 23.589 1.00 0.00 H ATOM 144 H LYS A 15 2.026 23.255 17.366 1.00 0.00 H ATOM 145 N SER A 16 4.098 26.318 15.453 1.00 32.05 N ATOM 146 CA SER A 16 4.958 26.397 14.281 1.00 32.60 C ATOM 147 C SER A 16 6.179 25.447 14.380 1.00 32.45 C ATOM 148 O SER A 16 6.702 25.204 15.452 1.00 30.68 O ATOM 149 CB SER A 16 5.422 27.847 14.124 1.00 32.20 C ATOM 150 OG SER A 16 6.319 27.963 13.058 1.00 36.25 O ATOM 151 HG SER A 16 6.608 28.906 12.972 1.00 0.00 H ATOM 152 H SER A 16 3.936 27.181 16.011 1.00 0.00 H ATOM 153 N ALA A 17 6.624 24.919 13.248 1.00 34.62 N ATOM 154 CA ALA A 17 7.848 24.106 13.181 1.00 37.15 C ATOM 155 C ALA A 17 9.094 24.819 13.715 1.00 39.14 C ATOM 156 O ALA A 17 10.004 24.158 14.240 1.00 37.28 O ATOM 157 CB ALA A 17 8.096 23.663 11.748 1.00 37.93 C ATOM 158 H ALA A 17 6.087 25.086 12.373 1.00 0.00 H ATOM 159 N LEU A 18 9.119 26.152 13.557 1.00 41.33 N ATOM 160 CA LEU A 18 10.162 27.056 14.094 1.00 42.78 C ATOM 161 C LEU A 18 10.422 26.849 15.578 1.00 41.86 C ATOM 162 O LEU A 18 11.545 27.020 16.042 1.00 46.05 O ATOM 163 CB LEU A 18 9.782 28.553 13.920 1.00 46.07 C ATOM 164 CG LEU A 18 9.285 29.160 12.592 1.00 49.94 C ATOM 165 CD1 LEU A 18 8.941 30.630 12.793 1.00 48.05 C ATOM 166 CD2 LEU A 18 10.262 28.977 11.432 1.00 51.65 C ATOM 167 H LEU A 18 8.344 26.584 13.014 1.00 0.00 H ATOM 168 N GLN A 19 9.365 26.529 16.316 1.00 37.24 N ATOM 169 CA GLN A 19 9.456 26.312 17.747 1.00 36.91 C ATOM 170 C GLN A 19 10.158 25.019 18.158 1.00 36.74 C ATOM 171 O GLN A 19 10.417 24.823 19.335 1.00 36.82 O ATOM 172 CB GLN A 19 8.059 26.358 18.369 1.00 36.83 C ATOM 173 CG GLN A 19 7.440 27.756 18.370 1.00 37.62 C ATOM 174 CD GLN A 19 6.369 27.903 19.432 1.00 40.51 C ATOM 175 OE1 GLN A 19 5.182 27.947 19.123 1.00 43.03 O ATOM 176 NE2 GLN A 19 6.786 27.953 20.703 1.00 43.30 N ATOM 177 HE22 GLN A 19 7.803 27.913 20.919 1.00 0.00 H ATOM 178 HE21 GLN A 19 6.093 28.032 21.475 1.00 0.00 H ATOM 179 H GLN A 19 8.440 26.431 15.851 1.00 0.00 H ATOM 180 N TYR A 20 10.429 24.133 17.208 1.00 36.45 N ATOM 181 CA TYR A 20 11.126 22.886 17.486 1.00 36.64 C ATOM 182 C TYR A 20 12.550 22.853 16.927 1.00 42.82 C ATOM 183 O TYR A 20 13.373 22.104 17.436 1.00 43.32 O ATOM 184 CB TYR A 20 10.298 21.706 16.993 1.00 31.12 C ATOM 185 CG TYR A 20 9.118 21.447 17.888 1.00 28.34 C ATOM 186 CD1 TYR A 20 9.232 20.610 18.980 1.00 25.11 C ATOM 187 CD2 TYR A 20 7.887 22.080 17.667 1.00 26.55 C ATOM 188 CE1 TYR A 20 8.156 20.367 19.815 1.00 24.04 C ATOM 189 CE2 TYR A 20 6.805 21.847 18.497 1.00 25.19 C ATOM 190 CZ TYR A 20 6.947 20.990 19.577 1.00 24.07 C ATOM 191 OH TYR A 20 5.899 20.750 20.408 1.00 20.57 O ATOM 192 HH TYR A 20 6.180 20.119 21.117 1.00 0.00 H ATOM 193 H TYR A 20 10.133 24.337 16.232 1.00 0.00 H ATOM 194 N ASN A 21 12.851 23.665 15.913 1.00 50.00 N ATOM 195 CA ASN A 21 14.246 23.927 15.527 1.00 51.08 C ATOM 196 C ASN A 21 15.034 24.558 16.686 1.00 49.45 C ATOM 197 O ASN A 21 14.504 25.400 17.439 1.00 50.99 O ATOM 198 CB ASN A 21 14.301 24.873 14.323 1.00 55.96 C ATOM 199 CG ASN A 21 15.723 25.125 13.832 1.00 59.52 C ATOM 200 OD1 ASN A 21 16.157 26.274 13.727 1.00 63.22 O ATOM 201 ND2 ASN A 21 16.461 24.050 13.545 1.00 61.39 N ATOM 202 HD22 ASN A 21 16.055 23.098 13.648 1.00 0.00 H ATOM 203 HD21 ASN A 21 17.442 24.165 13.219 1.00 0.00 H ATOM 204 H ASN A 21 12.082 24.123 15.383 1.00 0.00 H ATOM 205 N ASP A 22 16.288 24.119 16.819 1.00 48.41 N ATOM 206 CA ASP A 22 17.221 24.521 17.885 1.00 45.33 C ATOM 207 C ASP A 22 16.779 24.202 19.293 1.00 38.38 C ATOM 208 O ASP A 22 17.492 24.554 20.253 1.00 42.92 O ATOM 209 CB ASP A 22 17.535 26.018 17.851 1.00 48.44 C ATOM 210 CG ASP A 22 18.373 26.409 16.713 1.00 51.81 C ATOM 211 OD1 ASP A 22 19.215 25.593 16.285 1.00 58.20 O ATOM 212 OD2 ASP A 22 18.222 27.574 16.279 1.00 57.86 O ATOM 213 H ASP A 22 16.634 23.438 16.113 1.00 0.00 H ATOM 214 N TYR A 23 15.659 23.515 19.448 1.00 30.36 N ATOM 215 CA TYR A 23 15.164 23.236 20.770 1.00 26.35 C ATOM 216 C TYR A 23 16.165 22.320 21.422 1.00 26.08 C ATOM 217 O TYR A 23 16.673 21.368 20.786 1.00 27.20 O ATOM 218 CB TYR A 23 13.782 22.599 20.726 1.00 23.67 C ATOM 219 CG TYR A 23 13.101 22.499 22.065 1.00 21.56 C ATOM 220 CD1 TYR A 23 13.318 21.406 22.909 1.00 19.48 C ATOM 221 CD2 TYR A 23 12.220 23.485 22.485 1.00 20.25 C ATOM 222 CE1 TYR A 23 12.666 21.302 24.132 1.00 18.50 C ATOM 223 CE2 TYR A 23 11.546 23.379 23.690 1.00 19.80 C ATOM 224 CZ TYR A 23 11.756 22.281 24.518 1.00 19.56 C ATOM 225 OH TYR A 23 11.086 22.223 25.750 1.00 19.13 O ATOM 226 HH TYR A 23 11.336 21.389 26.221 1.00 0.00 H ATOM 227 H TYR A 23 15.137 23.177 18.615 1.00 0.00 H ATOM 228 N GLY A 24 16.490 22.651 22.664 1.00 25.26 N ATOM 229 CA GLY A 24 17.438 21.893 23.459 1.00 25.46 C ATOM 230 C GLY A 24 18.730 21.577 22.728 1.00 24.94 C ATOM 231 O GLY A 24 19.267 22.416 21.994 1.00 25.31 O ATOM 232 H GLY A 24 16.046 23.491 23.087 1.00 0.00 H ATOM 233 N CYS A 25 19.200 20.343 22.926 1.00 23.70 N ATOM 234 CA CYS A 25 20.481 19.892 22.429 1.00 22.90 C ATOM 235 C CYS A 25 20.406 18.995 21.210 1.00 22.63 C ATOM 236 O CYS A 25 21.428 18.816 20.555 1.00 24.56 O ATOM 237 CB CYS A 25 21.232 19.190 23.575 1.00 24.28 C ATOM 238 SG CYS A 25 21.616 20.312 24.954 1.00 22.37 S ATOM 239 H CYS A 25 18.615 19.672 23.465 1.00 0.00 H ATOM 240 N TYR A 26 19.222 18.448 20.899 1.00 23.26 N ATOM 241 CA TYR A 26 19.041 17.533 19.776 1.00 24.03 C ATOM 242 C TYR A 26 18.106 18.022 18.673 1.00 24.52 C ATOM 243 O TYR A 26 18.217 17.530 17.557 1.00 24.39 O ATOM 244 CB TYR A 26 18.652 16.108 20.263 1.00 23.91 C ATOM 245 CG TYR A 26 19.853 15.427 20.864 1.00 24.42 C ATOM 246 CD1 TYR A 26 20.752 14.733 20.057 1.00 26.15 C ATOM 247 CD2 TYR A 26 20.163 15.575 22.207 1.00 24.54 C ATOM 248 CE1 TYR A 26 21.915 14.158 20.581 1.00 26.13 C ATOM 249 CE2 TYR A 26 21.321 15.025 22.743 1.00 25.45 C ATOM 250 CZ TYR A 26 22.195 14.305 21.930 1.00 26.42 C ATOM 251 OH TYR A 26 23.348 13.743 22.429 1.00 25.48 O ATOM 252 HH TYR A 26 23.925 14.455 22.805 1.00 0.00 H ATOM 253 H TYR A 26 18.396 18.686 21.484 1.00 0.00 H ATOM 254 N CYS A 27 17.187 18.941 18.941 1.00 24.09 N ATOM 255 CA CYS A 27 16.266 19.348 17.883 1.00 25.70 C ATOM 256 C CYS A 27 16.918 20.408 16.962 1.00 29.10 C ATOM 257 O CYS A 27 17.300 21.492 17.406 1.00 31.96 O ATOM 258 CB CYS A 27 14.947 19.875 18.449 1.00 23.90 C ATOM 259 SG CYS A 27 14.063 18.821 19.602 1.00 21.07 S ATOM 260 H CYS A 27 17.124 19.364 19.889 1.00 0.00 H ATOM 261 N GLY A 28 16.992 20.102 15.675 1.00 33.82 N ATOM 262 CA GLY A 28 17.806 20.875 14.736 1.00 37.95 C ATOM 263 C GLY A 28 18.961 19.996 14.321 1.00 42.19 C ATOM 264 O GLY A 28 19.091 18.870 14.819 1.00 42.08 O ATOM 265 H GLY A 28 16.454 19.286 15.320 1.00 0.00 H ATOM 266 N ILE A 29 19.798 20.480 13.413 1.00 45.33 N ATOM 267 CA ILE A 29 20.801 19.587 12.802 1.00 50.74 C ATOM 268 C ILE A 29 21.797 19.030 13.830 1.00 48.92 C ATOM 269 O ILE A 29 22.246 19.747 14.738 1.00 45.90 O ATOM 270 CB ILE A 29 21.548 20.206 11.587 1.00 55.48 C ATOM 271 CG1 ILE A 29 22.175 21.573 11.927 1.00 58.32 C ATOM 272 CG2 ILE A 29 20.604 20.307 10.389 1.00 56.48 C ATOM 273 CD1 ILE A 29 23.224 22.029 10.924 1.00 60.21 C ATOM 274 H ILE A 29 19.748 21.481 13.134 1.00 0.00 H ATOM 275 N GLY A 30 22.097 17.738 13.686 1.00 47.51 N ATOM 276 CA GLY A 30 22.963 17.020 14.616 1.00 50.76 C ATOM 277 C GLY A 30 22.448 17.094 16.047 1.00 49.52 C ATOM 278 O GLY A 30 21.251 16.933 16.290 1.00 47.63 O ATOM 279 H GLY A 30 21.697 17.221 12.877 1.00 0.00 H ATOM 280 N GLY A 31 23.350 17.374 16.983 1.00 48.23 N ATOM 281 CA GLY A 31 23.027 17.403 18.402 1.00 47.78 C ATOM 282 C GLY A 31 23.952 16.480 19.168 1.00 45.77 C ATOM 283 O GLY A 31 24.470 15.519 18.622 1.00 43.75 O ATOM 284 H GLY A 31 24.326 17.581 16.689 1.00 0.00 H ATOM 285 N SER A 32 24.140 16.782 20.447 1.00 43.98 N ATOM 286 CA SER A 32 25.170 16.148 21.270 1.00 40.11 C ATOM 287 C SER A 32 24.831 16.326 22.738 1.00 36.32 C ATOM 288 O SER A 32 23.908 17.050 23.072 1.00 32.17 O ATOM 289 CB SER A 32 26.531 16.774 20.972 1.00 43.77 C ATOM 290 OG SER A 32 26.445 18.195 20.956 1.00 45.53 O ATOM 291 HG SER A 32 25.804 18.478 20.256 1.00 0.00 H ATOM 292 H SER A 32 23.528 17.501 20.883 1.00 0.00 H ATOM 293 N HIS A 33 25.556 15.617 23.601 1.00 34.66 N ATOM 294 CA HIS A 33 25.436 15.763 25.055 1.00 32.27 C ATOM 295 C HIS A 33 24.100 15.208 25.564 1.00 28.52 C ATOM 296 O HIS A 33 23.537 14.323 24.928 1.00 28.79 O ATOM 297 CB HIS A 33 25.768 17.218 25.485 1.00 34.19 C ATOM 298 CG HIS A 33 27.178 17.627 25.165 1.00 36.43 C ATOM 299 ND1 HIS A 33 28.243 17.338 25.997 1.00 39.42 N ATOM 300 CD2 HIS A 33 27.700 18.287 24.103 1.00 37.60 C ATOM 301 CE1 HIS A 33 29.358 17.807 25.462 1.00 39.42 C ATOM 302 NE2 HIS A 33 29.057 18.383 24.311 1.00 40.13 N ATOM 303 H HIS A 33 26.239 14.928 23.226 1.00 0.00 H ATOM 304 N TRP A 34 23.619 15.634 26.726 1.00 25.92 N ATOM 305 CA TRP A 34 22.451 15.015 27.323 1.00 24.76 C ATOM 306 C TRP A 34 21.203 15.866 27.037 1.00 25.57 C ATOM 307 O TRP A 34 21.242 17.078 27.259 1.00 23.79 O ATOM 308 CB TRP A 34 22.633 14.835 28.832 1.00 23.06 C ATOM 309 CG TRP A 34 21.718 13.769 29.367 1.00 21.95 C ATOM 310 CD1 TRP A 34 20.532 13.949 30.011 1.00 21.37 C ATOM 311 CD2 TRP A 34 21.933 12.358 29.311 1.00 22.01 C ATOM 312 NE1 TRP A 34 19.986 12.737 30.338 1.00 21.13 N ATOM 313 CE2 TRP A 34 20.829 11.744 29.920 1.00 21.46 C ATOM 314 CE3 TRP A 34 22.957 11.547 28.782 1.00 23.89 C ATOM 315 CZ2 TRP A 34 20.712 10.362 30.038 1.00 22.44 C ATOM 316 CZ3 TRP A 34 22.827 10.161 28.875 1.00 23.55 C ATOM 317 CH2 TRP A 34 21.711 9.587 29.501 1.00 23.19 C ATOM 318 HE1 TRP A 34 19.078 12.594 30.825 1.00 0.00 H ATOM 319 H TRP A 34 24.087 16.423 27.215 1.00 0.00 H ATOM 320 N PRO A 35 20.095 15.230 26.572 1.00 25.92 N ATOM 321 CA PRO A 35 18.874 15.961 26.264 1.00 25.72 C ATOM 322 C PRO A 35 18.348 16.705 27.472 1.00 24.79 C ATOM 323 O PRO A 35 18.438 16.190 28.586 1.00 22.33 O ATOM 324 CB PRO A 35 17.887 14.855 25.855 1.00 25.70 C ATOM 325 CG PRO A 35 18.758 13.742 25.360 1.00 25.64 C ATOM 326 CD PRO A 35 19.940 13.787 26.262 1.00 26.75 C ATOM 327 N VAL A 36 17.807 17.902 27.237 1.00 22.86 N ATOM 328 CA VAL A 36 17.355 18.758 28.329 1.00 21.90 C ATOM 329 C VAL A 36 16.044 18.325 28.951 1.00 21.83 C ATOM 330 O VAL A 36 15.806 18.592 30.123 1.00 23.97 O ATOM 331 CB VAL A 36 17.234 20.240 27.904 1.00 22.02 C ATOM 332 CG1 VAL A 36 18.606 20.825 27.612 1.00 21.13 C ATOM 333 CG2 VAL A 36 16.304 20.417 26.705 1.00 22.83 C ATOM 334 H VAL A 36 17.705 18.231 26.256 1.00 0.00 H ATOM 335 N ASP A 37 15.181 17.676 28.171 1.00 22.11 N ATOM 336 CA ASP A 37 13.817 17.356 28.590 1.00 21.01 C ATOM 337 C ASP A 37 13.197 16.320 27.609 1.00 21.35 C ATOM 338 O ASP A 37 13.884 15.862 26.706 1.00 20.09 O ATOM 339 CB ASP A 37 12.953 18.643 28.736 1.00 21.02 C ATOM 340 CG ASP A 37 12.539 19.273 27.387 1.00 21.33 C ATOM 341 OD1 ASP A 37 12.878 18.722 26.289 1.00 20.05 O ATOM 342 OD2 ASP A 37 11.844 20.329 27.440 1.00 20.98 O ATOM 343 H ASP A 37 15.491 17.384 27.222 1.00 0.00 H ATOM 344 N GLN A 38 11.915 15.979 27.787 1.00 22.83 N ATOM 345 CA GLN A 38 11.267 14.892 27.025 1.00 23.37 C ATOM 346 C GLN A 38 11.133 15.239 25.547 1.00 22.26 C ATOM 347 O GLN A 38 11.376 14.396 24.694 1.00 22.89 O ATOM 348 CB GLN A 38 9.891 14.518 27.607 1.00 24.97 C ATOM 349 CG GLN A 38 9.962 13.781 28.938 1.00 27.68 C ATOM 350 CD GLN A 38 10.539 12.375 28.788 1.00 32.16 C ATOM 351 OE1 GLN A 38 9.859 11.437 28.307 1.00 39.08 O ATOM 352 NE2 GLN A 38 11.807 12.219 29.177 1.00 31.31 N ATOM 353 HE22 GLN A 38 12.333 13.025 29.571 1.00 0.00 H ATOM 354 HE21 GLN A 38 12.268 11.291 29.086 1.00 0.00 H ATOM 355 H GLN A 38 11.353 16.500 28.490 1.00 0.00 H ATOM 356 N THR A 39 10.783 16.482 25.254 1.00 19.08 N ATOM 357 CA THR A 39 10.709 16.942 23.878 1.00 18.68 C ATOM 358 C THR A 39 12.062 16.749 23.164 1.00 18.74 C ATOM 359 O THR A 39 12.091 16.324 21.993 1.00 17.62 O ATOM 360 CB THR A 39 10.246 18.415 23.837 1.00 17.47 C ATOM 361 OG1 THR A 39 8.889 18.475 24.273 1.00 16.01 O ATOM 362 CG2 THR A 39 10.378 19.033 22.466 1.00 17.20 C ATOM 363 HG1 THR A 39 8.825 18.126 25.197 1.00 0.00 H ATOM 364 H THR A 39 10.556 17.142 26.025 1.00 0.00 H ATOM 365 N ASP A 40 13.156 17.039 23.880 1.00 18.86 N ATOM 366 CA ASP A 40 14.509 16.906 23.347 1.00 19.26 C ATOM 367 C ASP A 40 14.815 15.423 23.120 1.00 19.43 C ATOM 368 O ASP A 40 15.452 15.091 22.133 1.00 17.72 O ATOM 369 CB ASP A 40 15.560 17.527 24.294 1.00 19.92 C ATOM 370 CG ASP A 40 16.823 18.023 23.580 1.00 20.94 C ATOM 371 OD1 ASP A 40 16.898 18.065 22.323 1.00 20.92 O ATOM 372 OD2 ASP A 40 17.775 18.451 24.296 1.00 23.12 O ATOM 373 H ASP A 40 13.037 17.373 24.858 1.00 0.00 H ATOM 374 N TRP A 41 14.378 14.553 24.044 1.00 20.40 N ATOM 375 CA TRP A 41 14.519 13.112 23.841 1.00 20.79 C ATOM 376 C TRP A 41 13.835 12.698 22.526 1.00 20.82 C ATOM 377 O TRP A 41 14.403 11.898 21.778 1.00 23.38 O ATOM 378 CB TRP A 41 13.995 12.295 25.029 1.00 21.93 C ATOM 379 CG TRP A 41 15.009 12.145 26.148 1.00 24.58 C ATOM 380 CD1 TRP A 41 15.046 12.843 27.316 1.00 24.74 C ATOM 381 CD2 TRP A 41 16.141 11.260 26.176 1.00 24.92 C ATOM 382 NE1 TRP A 41 16.112 12.443 28.070 1.00 24.80 N ATOM 383 CE2 TRP A 41 16.806 11.475 27.397 1.00 25.83 C ATOM 384 CE3 TRP A 41 16.657 10.307 25.287 1.00 25.84 C ATOM 385 CZ2 TRP A 41 17.986 10.761 27.769 1.00 26.02 C ATOM 386 CZ3 TRP A 41 17.828 9.587 25.661 1.00 27.23 C ATOM 387 CH2 TRP A 41 18.477 9.835 26.897 1.00 25.19 C ATOM 388 HE1 TRP A 41 16.358 12.816 29.009 1.00 0.00 H ATOM 389 H TRP A 41 13.934 14.908 24.915 1.00 0.00 H ATOM 390 N CYS A 42 12.663 13.265 22.216 1.00 19.01 N ATOM 391 CA CYS A 42 11.987 12.966 20.952 1.00 18.60 C ATOM 392 C CYS A 42 12.923 13.165 19.795 1.00 18.39 C ATOM 393 O CYS A 42 12.976 12.335 18.885 1.00 20.01 O ATOM 394 CB CYS A 42 10.752 13.839 20.718 1.00 18.55 C ATOM 395 SG CYS A 42 9.474 13.792 21.984 1.00 19.09 S ATOM 396 H CYS A 42 12.225 13.930 22.885 1.00 0.00 H ATOM 397 N CYS A 43 13.660 14.268 19.832 1.00 18.23 N ATOM 398 CA CYS A 43 14.594 14.606 18.775 1.00 18.79 C ATOM 399 C CYS A 43 15.802 13.688 18.722 1.00 19.37 C ATOM 400 O CYS A 43 16.199 13.293 17.644 1.00 18.40 O ATOM 401 CB CYS A 43 15.020 16.058 18.890 1.00 19.25 C ATOM 402 SG CYS A 43 13.644 17.163 18.519 1.00 19.78 S ATOM 403 H CYS A 43 13.565 14.910 20.644 1.00 0.00 H ATOM 404 N HIS A 44 16.366 13.363 19.894 1.00 20.18 N ATOM 405 CA HIS A 44 17.386 12.333 20.026 1.00 20.34 C ATOM 406 C HIS A 44 16.963 11.004 19.388 1.00 19.62 C ATOM 407 O HIS A 44 17.717 10.402 18.615 1.00 20.88 O ATOM 408 CB HIS A 44 17.681 12.102 21.517 1.00 21.67 C ATOM 409 CG HIS A 44 18.731 11.070 21.770 1.00 22.10 C ATOM 410 ND1 HIS A 44 18.439 9.730 21.929 1.00 23.38 N ATOM 411 CD2 HIS A 44 20.074 11.179 21.874 1.00 22.89 C ATOM 412 CE1 HIS A 44 19.557 9.060 22.134 1.00 23.39 C ATOM 413 NE2 HIS A 44 20.564 9.917 22.112 1.00 23.68 N ATOM 414 H HIS A 44 16.060 13.871 20.749 1.00 0.00 H ATOM 415 N ALA A 45 15.770 10.545 19.742 1.00 19.12 N ATOM 416 CA ALA A 45 15.178 9.350 19.123 1.00 19.81 C ATOM 417 C ALA A 45 15.007 9.507 17.599 1.00 19.08 C ATOM 418 O ALA A 45 15.321 8.591 16.855 1.00 20.04 O ATOM 419 CB ALA A 45 13.839 9.006 19.780 1.00 19.25 C ATOM 420 H ALA A 45 15.236 11.046 20.481 1.00 0.00 H ATOM 421 N HIS A 46 14.576 10.683 17.145 1.00 19.80 N ATOM 422 CA HIS A 46 14.383 10.948 15.702 1.00 20.04 C ATOM 423 C HIS A 46 15.695 10.868 14.943 1.00 20.41 C ATOM 424 O HIS A 46 15.751 10.261 13.869 1.00 19.86 O ATOM 425 CB HIS A 46 13.739 12.320 15.498 1.00 20.96 C ATOM 426 CG HIS A 46 13.236 12.578 14.110 1.00 22.04 C ATOM 427 ND1 HIS A 46 13.776 13.540 13.291 1.00 23.06 N ATOM 428 CD2 HIS A 46 12.234 12.008 13.401 1.00 22.39 C ATOM 429 CE1 HIS A 46 13.136 13.548 12.139 1.00 22.94 C ATOM 430 NE2 HIS A 46 12.186 12.637 12.187 1.00 22.27 N ATOM 431 H HIS A 46 14.368 11.440 17.827 1.00 0.00 H ATOM 432 N ASP A 47 16.740 11.489 15.493 1.00 20.28 N ATOM 433 CA ASP A 47 18.096 11.355 14.959 1.00 22.00 C ATOM 434 C ASP A 47 18.537 9.899 14.852 1.00 20.90 C ATOM 435 O ASP A 47 19.151 9.497 13.850 1.00 19.07 O ATOM 436 CB ASP A 47 19.106 12.046 15.879 1.00 24.30 C ATOM 437 CG ASP A 47 19.049 13.551 15.795 1.00 26.48 C ATOM 438 OD1 ASP A 47 18.172 14.119 15.101 1.00 27.06 O ATOM 439 OD2 ASP A 47 19.901 14.181 16.451 1.00 27.41 O ATOM 440 H ASP A 47 16.586 12.088 16.329 1.00 0.00 H ATOM 441 N CYS A 48 18.235 9.129 15.894 1.00 19.71 N ATOM 442 CA CYS A 48 18.540 7.699 15.871 1.00 21.48 C ATOM 443 C CYS A 48 17.779 7.001 14.731 1.00 20.27 C ATOM 444 O CYS A 48 18.366 6.184 13.997 1.00 18.66 O ATOM 445 CB CYS A 48 18.265 7.036 17.235 1.00 22.12 C ATOM 446 SG CYS A 48 19.407 7.610 18.523 1.00 23.84 S ATOM 447 H CYS A 48 17.779 9.547 16.730 1.00 0.00 H ATOM 448 N CYS A 49 16.493 7.342 14.597 1.00 19.71 N ATOM 449 CA CYS A 49 15.609 6.806 13.534 1.00 18.83 C ATOM 450 C CYS A 49 16.197 7.057 12.150 1.00 17.52 C ATOM 451 O CYS A 49 16.364 6.137 11.338 1.00 16.38 O ATOM 452 CB CYS A 49 14.199 7.420 13.656 1.00 19.28 C ATOM 453 SG CYS A 49 12.888 6.378 12.985 1.00 19.80 S ATOM 454 H CYS A 49 16.091 8.020 15.275 1.00 0.00 H ATOM 455 N TYR A 50 16.609 8.291 11.908 1.00 16.99 N ATOM 456 CA TYR A 50 17.275 8.607 10.644 1.00 17.74 C ATOM 457 C TYR A 50 18.562 7.804 10.411 1.00 18.27 C ATOM 458 O TYR A 50 18.787 7.328 9.295 1.00 16.83 O ATOM 459 CB TYR A 50 17.496 10.125 10.478 1.00 17.95 C ATOM 460 CG TYR A 50 16.278 10.918 9.952 1.00 18.34 C ATOM 461 CD1 TYR A 50 14.975 10.444 10.058 1.00 18.35 C ATOM 462 CD2 TYR A 50 16.451 12.190 9.395 1.00 19.08 C ATOM 463 CE1 TYR A 50 13.892 11.188 9.578 1.00 18.82 C ATOM 464 CE2 TYR A 50 15.377 12.941 8.916 1.00 19.29 C ATOM 465 CZ TYR A 50 14.096 12.450 9.009 1.00 19.31 C ATOM 466 OH TYR A 50 13.041 13.210 8.496 1.00 18.58 O ATOM 467 HH TYR A 50 12.189 12.727 8.637 1.00 0.00 H ATOM 468 H TYR A 50 16.459 9.037 12.617 1.00 0.00 H ATOM 469 N GLY A 51 19.384 7.635 11.462 1.00 18.83 N ATOM 470 CA GLY A 51 20.610 6.867 11.358 1.00 18.72 C ATOM 471 C GLY A 51 20.336 5.456 10.876 1.00 19.37 C ATOM 472 O GLY A 51 21.000 4.975 9.953 1.00 19.76 O ATOM 473 H GLY A 51 19.134 8.067 12.374 1.00 0.00 H ATOM 474 N ARG A 52 19.346 4.812 11.493 1.00 19.41 N ATOM 475 CA ARG A 52 18.887 3.478 11.076 1.00 20.62 C ATOM 476 C ARG A 52 18.479 3.485 9.588 1.00 20.41 C ATOM 477 O ARG A 52 18.846 2.574 8.839 1.00 18.43 O ATOM 478 CB ARG A 52 17.707 2.963 11.932 1.00 21.05 C ATOM 479 CG ARG A 52 18.035 2.763 13.395 1.00 22.62 C ATOM 480 CD ARG A 52 17.069 1.841 14.142 1.00 23.86 C ATOM 481 NE ARG A 52 15.732 2.414 14.302 1.00 25.01 N ATOM 482 CZ ARG A 52 15.407 3.417 15.127 1.00 26.21 C ATOM 483 NH1 ARG A 52 16.312 3.990 15.915 1.00 29.07 N ATOM 484 NH2 ARG A 52 14.163 3.872 15.156 1.00 25.69 N ATOM 485 HE ARG A 52 14.968 2.007 13.725 1.00 0.00 H ATOM 486 HH12 ARG A 52 16.033 4.768 16.547 1.00 0.00 H ATOM 487 HH11 ARG A 52 17.298 3.661 15.899 1.00 0.00 H ATOM 488 HH22 ARG A 52 13.909 4.651 15.796 1.00 0.00 H ATOM 489 HH21 ARG A 52 13.440 3.450 14.538 1.00 0.00 H ATOM 490 H ARG A 52 18.879 5.271 12.301 1.00 0.00 H ATOM 491 N LEU A 53 17.745 4.516 9.157 1.00 18.94 N ATOM 492 CA LEU A 53 17.318 4.560 7.762 1.00 18.76 C ATOM 493 C LEU A 53 18.506 4.757 6.795 1.00 19.61 C ATOM 494 O LEU A 53 18.531 4.151 5.713 1.00 17.57 O ATOM 495 CB LEU A 53 16.234 5.608 7.516 1.00 18.98 C ATOM 496 CG LEU A 53 14.908 5.592 8.297 1.00 20.32 C ATOM 497 CD1 LEU A 53 13.819 6.390 7.559 1.00 19.49 C ATOM 498 CD2 LEU A 53 14.394 4.205 8.610 1.00 19.99 C ATOM 499 H LEU A 53 17.480 5.281 9.811 1.00 0.00 H ATOM 500 N GLU A 54 19.482 5.577 7.191 1.00 20.71 N ATOM 501 CA GLU A 54 20.706 5.747 6.396 1.00 23.84 C ATOM 502 C GLU A 54 21.457 4.408 6.231 1.00 23.15 C ATOM 503 O GLU A 54 21.899 4.096 5.148 1.00 21.93 O ATOM 504 CB GLU A 54 21.607 6.864 6.968 1.00 25.11 C ATOM 505 CG GLU A 54 20.976 8.228 6.779 1.00 26.99 C ATOM 506 CD GLU A 54 21.758 9.404 7.333 1.00 29.39 C ATOM 507 OE1 GLU A 54 22.631 9.218 8.214 1.00 27.76 O ATOM 508 OE2 GLU A 54 21.461 10.546 6.871 1.00 34.62 O ATOM 509 H GLU A 54 19.374 6.106 8.080 1.00 0.00 H ATOM 510 N LYS A 55 21.525 3.599 7.282 1.00 24.44 N ATOM 511 CA LYS A 55 22.167 2.274 7.199 1.00 25.84 C ATOM 512 C LYS A 55 21.357 1.263 6.345 1.00 26.12 C ATOM 513 O LYS A 55 21.911 0.258 5.882 1.00 26.11 O ATOM 514 CB LYS A 55 22.417 1.723 8.615 1.00 27.92 C ATOM 515 CG LYS A 55 23.280 0.472 8.670 1.00 31.98 C ATOM 516 CD LYS A 55 23.526 -0.059 10.092 1.00 34.41 C ATOM 517 CE LYS A 55 23.532 -1.590 10.119 1.00 36.37 C ATOM 518 NZ LYS A 55 24.289 -2.157 11.274 1.00 38.82 N ATOM 519 HZ1 LYS A 55 25.278 -1.840 11.228 1.00 0.00 H ATOM 520 HZ2 LYS A 55 23.860 -1.829 12.163 1.00 0.00 H ATOM 521 HZ3 LYS A 55 24.254 -3.196 11.233 1.00 0.00 H ATOM 522 H LYS A 55 21.115 3.908 8.187 1.00 0.00 H ATOM 523 N LEU A 56 20.057 1.510 6.148 1.00 23.54 N ATOM 524 CA LEU A 56 19.251 0.721 5.196 1.00 22.92 C ATOM 525 C LEU A 56 19.408 1.144 3.719 1.00 22.32 C ATOM 526 O LEU A 56 18.807 0.514 2.837 1.00 21.72 O ATOM 527 CB LEU A 56 17.763 0.764 5.596 1.00 23.65 C ATOM 528 CG LEU A 56 17.369 -0.135 6.762 1.00 23.53 C ATOM 529 CD1 LEU A 56 16.050 0.335 7.331 1.00 24.67 C ATOM 530 CD2 LEU A 56 17.292 -1.615 6.351 1.00 23.82 C ATOM 531 H LEU A 56 19.602 2.279 6.680 1.00 0.00 H ATOM 532 N GLY A 57 20.214 2.181 3.449 1.00 20.61 N ATOM 533 CA GLY A 57 20.362 2.749 2.110 1.00 19.73 C ATOM 534 C GLY A 57 19.401 3.890 1.789 1.00 19.65 C ATOM 535 O GLY A 57 19.385 4.349 0.655 1.00 18.83 O ATOM 536 H GLY A 57 20.759 2.601 4.229 1.00 0.00 H ATOM 537 N CYS A 58 18.634 4.383 2.773 1.00 18.48 N ATOM 538 CA CYS A 58 17.708 5.481 2.543 1.00 18.61 C ATOM 539 C CYS A 58 18.421 6.808 2.739 1.00 20.65 C ATOM 540 O CYS A 58 19.505 6.846 3.326 1.00 20.84 O ATOM 541 CB CYS A 58 16.502 5.404 3.484 1.00 18.15 C ATOM 542 SG CYS A 58 15.462 3.911 3.395 1.00 17.33 S ATOM 543 H CYS A 58 18.703 3.970 3.725 1.00 0.00 H ATOM 544 N GLU A 59 17.800 7.893 2.259 1.00 21.75 N ATOM 545 CA GLU A 59 18.290 9.264 2.466 1.00 23.27 C ATOM 546 C GLU A 59 17.226 10.119 3.172 1.00 22.52 C ATOM 547 O GLU A 59 16.687 11.064 2.582 1.00 20.62 O ATOM 548 CB GLU A 59 18.702 9.888 1.130 1.00 26.51 C ATOM 549 CG GLU A 59 19.756 9.076 0.384 1.00 30.86 C ATOM 550 CD GLU A 59 20.374 9.800 -0.811 1.00 34.90 C ATOM 551 OE1 GLU A 59 20.434 9.188 -1.889 1.00 42.67 O ATOM 552 OE2 GLU A 59 20.824 10.963 -0.681 1.00 39.16 O ATOM 553 H GLU A 59 16.926 7.759 1.712 1.00 0.00 H ATOM 554 N PRO A 60 16.934 9.810 4.460 1.00 22.44 N ATOM 555 CA PRO A 60 15.732 10.373 5.077 1.00 23.00 C ATOM 556 C PRO A 60 15.756 11.887 5.166 1.00 22.99 C ATOM 557 O PRO A 60 14.708 12.487 5.151 1.00 22.93 O ATOM 558 CB PRO A 60 15.703 9.740 6.468 1.00 21.72 C ATOM 559 CG PRO A 60 17.121 9.408 6.762 1.00 21.75 C ATOM 560 CD PRO A 60 17.748 9.063 5.436 1.00 22.02 C ATOM 561 N LYS A 61 16.939 12.501 5.223 1.00 25.74 N ATOM 562 CA LYS A 61 17.024 13.978 5.159 1.00 26.81 C ATOM 563 C LYS A 61 16.443 14.547 3.872 1.00 25.84 C ATOM 564 O LYS A 61 16.003 15.678 3.863 1.00 26.37 O ATOM 565 CB LYS A 61 18.468 14.455 5.307 1.00 29.70 C ATOM 566 CG LYS A 61 19.059 14.277 6.697 1.00 31.42 C ATOM 567 CD LYS A 61 20.447 14.891 6.736 1.00 35.17 C ATOM 568 CE LYS A 61 21.029 14.928 8.136 1.00 37.92 C ATOM 569 NZ LYS A 61 21.703 13.633 8.420 1.00 40.92 N ATOM 570 HZ1 LYS A 61 21.010 12.860 8.350 1.00 0.00 H ATOM 571 HZ2 LYS A 61 22.465 13.481 7.729 1.00 0.00 H ATOM 572 HZ3 LYS A 61 22.103 13.655 9.380 1.00 0.00 H ATOM 573 H LYS A 61 17.809 11.938 5.313 1.00 0.00 H ATOM 574 N LEU A 62 16.464 13.762 2.793 1.00 25.50 N ATOM 575 CA LEU A 62 15.956 14.185 1.489 1.00 28.41 C ATOM 576 C LEU A 62 14.607 13.597 1.049 1.00 26.70 C ATOM 577 O LEU A 62 13.963 14.164 0.164 1.00 26.09 O ATOM 578 CB LEU A 62 17.028 13.918 0.410 1.00 29.00 C ATOM 579 CG LEU A 62 18.371 14.652 0.656 1.00 31.53 C ATOM 580 CD1 LEU A 62 19.463 14.230 -0.331 1.00 31.74 C ATOM 581 CD2 LEU A 62 18.160 16.165 0.605 1.00 31.39 C ATOM 582 H LEU A 62 16.860 12.805 2.884 1.00 0.00 H ATOM 583 N GLU A 63 14.168 12.501 1.667 1.00 25.83 N ATOM 584 CA GLU A 63 13.020 11.760 1.139 1.00 26.43 C ATOM 585 C GLU A 63 11.747 12.622 1.207 1.00 25.84 C ATOM 586 O GLU A 63 11.528 13.331 2.173 1.00 25.76 O ATOM 587 CB GLU A 63 12.775 10.412 1.847 1.00 25.18 C ATOM 588 CG GLU A 63 13.950 9.431 1.935 1.00 26.34 C ATOM 589 CD GLU A 63 14.281 8.619 0.677 1.00 25.56 C ATOM 590 OE1 GLU A 63 13.535 8.663 -0.338 1.00 24.75 O ATOM 591 OE2 GLU A 63 15.330 7.927 0.735 1.00 22.78 O ATOM 592 H GLU A 63 14.644 12.169 2.530 1.00 0.00 H ATOM 593 N LYS A 64 10.950 12.563 0.145 1.00 27.43 N ATOM 594 CA LYS A 64 9.663 13.238 0.058 1.00 29.21 C ATOM 595 C LYS A 64 8.572 12.167 0.198 1.00 25.16 C ATOM 596 O LYS A 64 8.541 11.209 -0.573 1.00 26.01 O ATOM 597 CB LYS A 64 9.525 13.952 -1.292 1.00 34.25 C ATOM 598 CG LYS A 64 10.503 15.113 -1.510 1.00 40.01 C ATOM 599 CD LYS A 64 10.259 16.239 -0.502 1.00 41.97 C ATOM 600 CE LYS A 64 10.993 17.517 -0.881 1.00 47.31 C ATOM 601 NZ LYS A 64 10.479 18.169 -2.131 1.00 49.89 N ATOM 602 HZ1 LYS A 64 10.577 17.510 -2.930 1.00 0.00 H ATOM 603 HZ2 LYS A 64 9.477 18.416 -2.005 1.00 0.00 H ATOM 604 HZ3 LYS A 64 11.028 19.031 -2.322 1.00 0.00 H ATOM 605 H LYS A 64 11.264 12.002 -0.672 1.00 0.00 H ATOM 606 N TYR A 65 7.694 12.319 1.175 1.00 20.15 N ATOM 607 CA TYR A 65 6.616 11.348 1.377 1.00 20.22 C ATOM 608 C TYR A 65 5.258 12.030 1.333 1.00 19.41 C ATOM 609 O TYR A 65 5.161 13.265 1.190 1.00 18.39 O ATOM 610 CB TYR A 65 6.779 10.576 2.695 1.00 19.02 C ATOM 611 CG TYR A 65 6.841 11.444 3.918 1.00 19.16 C ATOM 612 CD1 TYR A 65 5.684 11.909 4.536 1.00 18.82 C ATOM 613 CD2 TYR A 65 8.077 11.781 4.490 1.00 17.99 C ATOM 614 CE1 TYR A 65 5.751 12.706 5.692 1.00 19.48 C ATOM 615 CE2 TYR A 65 8.154 12.580 5.624 1.00 18.35 C ATOM 616 CZ TYR A 65 6.999 13.051 6.226 1.00 19.36 C ATOM 617 OH TYR A 65 7.090 13.843 7.347 1.00 18.46 O ATOM 618 HH TYR A 65 7.552 13.344 8.066 1.00 0.00 H ATOM 619 H TYR A 65 7.770 13.140 1.809 1.00 0.00 H ATOM 620 N LEU A 66 4.222 11.208 1.478 1.00 17.59 N ATOM 621 CA LEU A 66 2.867 11.678 1.607 1.00 18.12 C ATOM 622 C LEU A 66 2.250 11.270 2.929 1.00 18.37 C ATOM 623 O LEU A 66 2.532 10.170 3.489 1.00 17.76 O ATOM 624 CB LEU A 66 2.027 11.114 0.455 1.00 18.70 C ATOM 625 CG LEU A 66 2.593 11.307 -0.952 1.00 18.76 C ATOM 626 CD1 LEU A 66 1.864 10.375 -1.936 1.00 19.17 C ATOM 627 CD2 LEU A 66 2.485 12.770 -1.360 1.00 18.32 C ATOM 628 H LEU A 66 4.398 10.183 1.499 1.00 0.00 H ATOM 629 N PHE A 67 1.400 12.146 3.441 1.00 17.49 N ATOM 630 CA PHE A 67 0.654 11.823 4.632 1.00 17.67 C ATOM 631 C PHE A 67 -0.639 12.594 4.770 1.00 18.99 C ATOM 632 O PHE A 67 -0.779 13.707 4.235 1.00 16.78 O ATOM 633 CB PHE A 67 1.526 12.026 5.890 1.00 17.80 C ATOM 634 CG PHE A 67 1.594 13.456 6.388 1.00 16.88 C ATOM 635 CD1 PHE A 67 2.479 14.365 5.838 1.00 16.61 C ATOM 636 CD2 PHE A 67 0.810 13.865 7.456 1.00 16.93 C ATOM 637 CE1 PHE A 67 2.549 15.672 6.317 1.00 17.07 C ATOM 638 CE2 PHE A 67 0.878 15.163 7.939 1.00 16.84 C ATOM 639 CZ PHE A 67 1.747 16.063 7.376 1.00 16.73 C ATOM 640 H PHE A 67 1.270 13.070 2.983 1.00 0.00 H ATOM 641 N SER A 68 -1.550 11.985 5.536 1.00 20.83 N ATOM 642 CA SER A 68 -2.774 12.624 5.992 1.00 23.08 C ATOM 643 C SER A 68 -2.925 12.422 7.492 1.00 26.74 C ATOM 644 O SER A 68 -2.226 11.587 8.098 1.00 25.21 O ATOM 645 CB SER A 68 -3.991 12.035 5.270 1.00 23.07 C ATOM 646 OG SER A 68 -4.140 10.664 5.599 1.00 22.98 O ATOM 647 HG SER A 68 -4.929 10.296 5.127 1.00 0.00 H ATOM 648 H SER A 68 -1.374 11.001 5.821 1.00 0.00 H ATOM 649 N VAL A 69 -3.826 13.221 8.072 1.00 32.01 N ATOM 650 CA VAL A 69 -4.237 13.123 9.471 1.00 36.02 C ATOM 651 C VAL A 69 -5.771 13.106 9.587 1.00 38.52 C ATOM 652 O VAL A 69 -6.423 14.109 9.314 1.00 39.92 O ATOM 653 CB VAL A 69 -3.732 14.322 10.314 1.00 39.38 C ATOM 654 CG1 VAL A 69 -3.863 14.003 11.805 1.00 42.48 C ATOM 655 CG2 VAL A 69 -2.301 14.697 9.982 1.00 39.62 C ATOM 656 H VAL A 69 -4.264 13.962 7.489 1.00 0.00 H ATOM 657 N SER A 70 -6.334 11.975 9.989 1.00 43.64 N ATOM 658 CA SER A 70 -7.735 11.890 10.377 1.00 46.19 C ATOM 659 C SER A 70 -7.807 11.907 11.910 1.00 50.71 C ATOM 660 O SER A 70 -6.862 12.335 12.576 1.00 50.64 O ATOM 661 CB SER A 70 -8.369 10.620 9.784 1.00 47.41 C ATOM 662 OG SER A 70 -8.109 9.456 10.561 1.00 49.52 O ATOM 663 HG SER A 70 -8.539 8.673 10.134 1.00 0.00 H ATOM 664 H SER A 70 -5.752 11.114 10.029 1.00 0.00 H ATOM 665 N GLU A 71 -8.938 11.471 12.454 1.00 53.96 N ATOM 666 CA GLU A 71 -9.098 11.253 13.881 1.00 58.32 C ATOM 667 C GLU A 71 -8.463 9.926 14.277 1.00 57.51 C ATOM 668 O GLU A 71 -8.047 9.737 15.416 1.00 61.75 O ATOM 669 CB GLU A 71 -10.592 11.253 14.240 1.00 66.15 C ATOM 670 CG GLU A 71 -10.906 11.081 15.727 1.00 71.94 C ATOM 671 CD GLU A 71 -10.222 12.113 16.613 1.00 75.62 C ATOM 672 OE1 GLU A 71 -10.228 13.315 16.250 1.00 75.79 O ATOM 673 OE2 GLU A 71 -9.674 11.720 17.670 1.00 78.05 O ATOM 674 H GLU A 71 -9.746 11.277 11.829 1.00 0.00 H ATOM 675 N ARG A 72 -8.402 9.010 13.321 1.00 57.89 N ATOM 676 CA ARG A 72 -7.803 7.688 13.503 1.00 52.54 C ATOM 677 C ARG A 72 -6.268 7.743 13.586 1.00 48.83 C ATOM 678 O ARG A 72 -5.633 6.769 14.005 1.00 45.00 O ATOM 679 CB ARG A 72 -8.248 6.830 12.330 1.00 55.54 C ATOM 680 CG ARG A 72 -8.001 5.340 12.382 1.00 58.61 C ATOM 681 CD ARG A 72 -8.532 4.705 11.099 1.00 61.47 C ATOM 682 NE ARG A 72 -10.001 4.697 11.022 1.00 63.00 N ATOM 683 CZ ARG A 72 -10.788 5.659 10.509 1.00 64.75 C ATOM 684 NH1 ARG A 72 -10.303 6.799 9.999 1.00 62.87 N ATOM 685 NH2 ARG A 72 -12.108 5.481 10.521 1.00 65.24 N ATOM 686 HE ARG A 72 -10.482 3.858 11.405 1.00 0.00 H ATOM 687 HH12 ARG A 72 -10.952 7.514 9.613 1.00 0.00 H ATOM 688 HH11 ARG A 72 -9.277 6.969 9.989 1.00 0.00 H ATOM 689 HH22 ARG A 72 -12.735 6.213 10.129 1.00 0.00 H ATOM 690 HH21 ARG A 72 -12.512 4.611 10.922 1.00 0.00 H ATOM 691 H ARG A 72 -8.802 9.244 12.390 1.00 0.00 H ATOM 692 N GLY A 73 -5.682 8.869 13.164 1.00 44.16 N ATOM 693 CA GLY A 73 -4.270 9.164 13.416 1.00 41.11 C ATOM 694 C GLY A 73 -3.556 9.713 12.196 1.00 36.27 C ATOM 695 O GLY A 73 -4.125 10.490 11.431 1.00 35.68 O ATOM 696 H GLY A 73 -6.251 9.562 12.637 1.00 0.00 H ATOM 697 N ILE A 74 -2.297 9.320 12.038 1.00 31.72 N ATOM 698 CA ILE A 74 -1.467 9.791 10.947 1.00 28.48 C ATOM 699 C ILE A 74 -1.272 8.659 9.989 1.00 25.38 C ATOM 700 O ILE A 74 -0.751 7.630 10.386 1.00 23.62 O ATOM 701 CB ILE A 74 -0.083 10.237 11.421 1.00 28.70 C ATOM 702 CG1 ILE A 74 -0.212 11.508 12.255 1.00 29.35 C ATOM 703 CG2 ILE A 74 0.841 10.465 10.217 1.00 29.25 C ATOM 704 CD1 ILE A 74 0.989 11.772 13.117 1.00 28.56 C ATOM 705 H ILE A 74 -1.892 8.650 12.722 1.00 0.00 H ATOM 706 N PHE A 75 -1.655 8.867 8.724 1.00 23.98 N ATOM 707 CA PHE A 75 -1.493 7.839 7.692 1.00 22.85 C ATOM 708 C PHE A 75 -0.327 8.214 6.803 1.00 21.37 C ATOM 709 O PHE A 75 -0.334 9.279 6.201 1.00 21.15 O ATOM 710 CB PHE A 75 -2.763 7.680 6.857 1.00 22.19 C ATOM 711 CG PHE A 75 -2.637 6.649 5.789 1.00 21.57 C ATOM 712 CD1 PHE A 75 -2.679 5.299 6.111 1.00 22.69 C ATOM 713 CD2 PHE A 75 -2.443 7.018 4.468 1.00 21.51 C ATOM 714 CE1 PHE A 75 -2.525 4.328 5.131 1.00 22.59 C ATOM 715 CE2 PHE A 75 -2.294 6.057 3.485 1.00 21.85 C ATOM 716 CZ PHE A 75 -2.345 4.709 3.812 1.00 21.67 C ATOM 717 H PHE A 75 -2.078 9.781 8.466 1.00 0.00 H ATOM 718 N CYS A 76 0.656 7.326 6.712 1.00 19.86 N ATOM 719 CA CYS A 76 1.882 7.567 5.936 1.00 18.72 C ATOM 720 C CYS A 76 1.781 6.853 4.603 1.00 18.15 C ATOM 721 O CYS A 76 1.181 5.789 4.502 1.00 18.58 O ATOM 722 CB CYS A 76 3.111 7.007 6.683 1.00 18.68 C ATOM 723 SG CYS A 76 3.831 8.056 7.970 1.00 18.47 S ATOM 724 H CYS A 76 0.555 6.420 7.212 1.00 0.00 H ATOM 725 N ALA A 77 2.433 7.404 3.596 1.00 17.57 N ATOM 726 CA ALA A 77 2.420 6.812 2.274 1.00 17.82 C ATOM 727 C ALA A 77 3.557 7.324 1.405 1.00 17.37 C ATOM 728 O ALA A 77 4.244 8.294 1.735 1.00 15.62 O ATOM 729 CB ALA A 77 1.058 7.075 1.598 1.00 18.48 C ATOM 730 H ALA A 77 2.967 8.282 3.755 1.00 0.00 H ATOM 731 N GLY A 78 3.742 6.647 0.279 1.00 17.74 N ATOM 732 CA GLY A 78 4.774 7.024 -0.682 1.00 18.16 C ATOM 733 C GLY A 78 5.100 5.894 -1.613 1.00 18.15 C ATOM 734 O GLY A 78 4.822 4.740 -1.317 1.00 17.01 O ATOM 735 H GLY A 78 3.136 5.827 0.076 1.00 0.00 H ATOM 736 N ARG A 79 5.705 6.270 -2.728 1.00 19.25 N ATOM 737 CA ARG A 79 6.049 5.322 -3.781 1.00 19.38 C ATOM 738 C ARG A 79 7.073 4.286 -3.321 1.00 19.55 C ATOM 739 O ARG A 79 6.945 3.109 -3.648 1.00 19.36 O ATOM 740 CB ARG A 79 6.556 6.064 -5.020 1.00 19.41 C ATOM 741 CG ARG A 79 6.692 5.187 -6.258 1.00 19.62 C ATOM 742 CD ARG A 79 7.253 5.979 -7.431 1.00 19.68 C ATOM 743 NE ARG A 79 8.635 6.388 -7.226 1.00 19.26 N ATOM 744 CZ ARG A 79 9.686 5.585 -7.378 1.00 18.91 C ATOM 745 NH1 ARG A 79 9.530 4.317 -7.740 1.00 18.51 N ATOM 746 NH2 ARG A 79 10.899 6.064 -7.176 1.00 18.46 N ATOM 747 HE ARG A 79 8.813 7.373 -6.942 1.00 0.00 H ATOM 748 HH12 ARG A 79 10.361 3.703 -7.854 1.00 0.00 H ATOM 749 HH11 ARG A 79 8.576 3.938 -7.909 1.00 0.00 H ATOM 750 HH22 ARG A 79 11.728 5.447 -7.292 1.00 0.00 H ATOM 751 HH21 ARG A 79 11.026 7.059 -6.901 1.00 0.00 H ATOM 752 H ARG A 79 5.943 7.274 -2.857 1.00 0.00 H ATOM 753 N THR A 80 8.069 4.703 -2.548 1.00 19.52 N ATOM 754 CA THR A 80 9.118 3.777 -2.092 1.00 19.56 C ATOM 755 C THR A 80 9.039 3.505 -0.580 1.00 19.20 C ATOM 756 O THR A 80 8.497 4.287 0.217 1.00 18.06 O ATOM 757 CB THR A 80 10.518 4.334 -2.401 1.00 20.04 C ATOM 758 OG1 THR A 80 10.746 5.509 -1.604 1.00 18.98 O ATOM 759 CG2 THR A 80 10.651 4.702 -3.864 1.00 20.73 C ATOM 760 HG1 THR A 80 11.647 5.870 -1.801 1.00 0.00 H ATOM 761 H THR A 80 8.108 5.701 -2.260 1.00 0.00 H ATOM 762 N THR A 81 9.603 2.377 -0.199 1.00 18.60 N ATOM 763 CA THR A 81 9.712 2.007 1.190 1.00 18.44 C ATOM 764 C THR A 81 10.540 3.021 2.005 1.00 18.09 C ATOM 765 O THR A 81 10.208 3.315 3.164 1.00 18.57 O ATOM 766 CB THR A 81 10.341 0.603 1.317 1.00 18.17 C ATOM 767 OG1 THR A 81 9.700 -0.280 0.391 1.00 19.13 O ATOM 768 CG2 THR A 81 10.145 0.059 2.710 1.00 18.05 C ATOM 769 HG1 THR A 81 10.099 -1.183 0.467 1.00 0.00 H ATOM 770 H THR A 81 9.981 1.733 -0.923 1.00 0.00 H ATOM 771 N CYS A 82 11.605 3.553 1.413 1.00 17.13 N ATOM 772 CA CYS A 82 12.381 4.603 2.075 1.00 17.00 C ATOM 773 C CYS A 82 11.567 5.876 2.422 1.00 16.30 C ATOM 774 O CYS A 82 11.788 6.497 3.458 1.00 15.79 O ATOM 775 CB CYS A 82 13.639 4.948 1.255 1.00 17.36 C ATOM 776 SG CYS A 82 15.035 3.790 1.454 1.00 17.69 S ATOM 777 H CYS A 82 11.890 3.220 0.470 1.00 0.00 H ATOM 778 N GLN A 83 10.650 6.257 1.546 1.00 16.35 N ATOM 779 CA GLN A 83 9.772 7.416 1.765 1.00 16.53 C ATOM 780 C GLN A 83 8.805 7.113 2.906 1.00 16.08 C ATOM 781 O GLN A 83 8.604 7.920 3.796 1.00 15.05 O ATOM 782 CB GLN A 83 8.999 7.747 0.483 1.00 16.56 C ATOM 783 CG GLN A 83 9.881 8.309 -0.614 1.00 17.38 C ATOM 784 CD GLN A 83 9.268 8.298 -2.020 1.00 18.15 C ATOM 785 OE1 GLN A 83 8.436 7.489 -2.362 1.00 18.45 O ATOM 786 NE2 GLN A 83 9.748 9.182 -2.848 1.00 20.22 N ATOM 787 HE22 GLN A 83 10.463 9.864 -2.523 1.00 0.00 H ATOM 788 HE21 GLN A 83 9.417 9.205 -3.833 1.00 0.00 H ATOM 789 H GLN A 83 10.546 5.713 0.666 1.00 0.00 H ATOM 790 N ARG A 84 8.246 5.908 2.884 1.00 16.05 N ATOM 791 CA ARG A 84 7.350 5.463 3.939 1.00 16.66 C ATOM 792 C ARG A 84 8.079 5.321 5.299 1.00 16.18 C ATOM 793 O ARG A 84 7.547 5.702 6.339 1.00 15.51 O ATOM 794 CB ARG A 84 6.608 4.183 3.494 1.00 17.66 C ATOM 795 CG ARG A 84 5.743 4.399 2.221 1.00 19.28 C ATOM 796 CD ARG A 84 5.171 3.107 1.588 1.00 21.01 C ATOM 797 NE ARG A 84 4.206 2.501 2.477 1.00 22.64 N ATOM 798 CZ ARG A 84 3.413 1.459 2.211 1.00 26.81 C ATOM 799 NH1 ARG A 84 3.416 0.837 1.023 1.00 27.34 N ATOM 800 NH2 ARG A 84 2.579 1.037 3.174 1.00 27.49 N ATOM 801 HE ARG A 84 4.120 2.921 3.425 1.00 0.00 H ATOM 802 HH12 ARG A 84 2.782 0.029 0.857 1.00 0.00 H ATOM 803 HH11 ARG A 84 4.052 1.162 0.267 1.00 0.00 H ATOM 804 HH22 ARG A 84 1.949 0.228 2.999 1.00 0.00 H ATOM 805 HH21 ARG A 84 2.563 1.518 4.096 1.00 0.00 H ATOM 806 H ARG A 84 8.455 5.267 2.092 1.00 0.00 H ATOM 807 N LEU A 85 9.312 4.823 5.285 1.00 16.21 N ATOM 808 CA LEU A 85 10.118 4.740 6.514 1.00 16.29 C ATOM 809 C LEU A 85 10.409 6.133 7.066 1.00 16.10 C ATOM 810 O LEU A 85 10.365 6.357 8.248 1.00 15.96 O ATOM 811 CB LEU A 85 11.434 4.035 6.230 1.00 16.47 C ATOM 812 CG LEU A 85 11.342 2.518 6.059 1.00 16.84 C ATOM 813 CD1 LEU A 85 12.613 2.018 5.398 1.00 17.28 C ATOM 814 CD2 LEU A 85 11.141 1.860 7.411 1.00 17.72 C ATOM 815 H LEU A 85 9.715 4.485 4.388 1.00 0.00 H ATOM 816 N THR A 86 10.701 7.071 6.189 1.00 15.56 N ATOM 817 CA THR A 86 10.995 8.418 6.625 1.00 15.92 C ATOM 818 C THR A 86 9.786 9.014 7.327 1.00 16.25 C ATOM 819 O THR A 86 9.909 9.594 8.405 1.00 16.39 O ATOM 820 CB THR A 86 11.421 9.268 5.433 1.00 15.37 C ATOM 821 OG1 THR A 86 12.547 8.632 4.819 1.00 15.42 O ATOM 822 CG2 THR A 86 11.788 10.657 5.847 1.00 15.43 C ATOM 823 HG1 THR A 86 12.289 7.725 4.519 1.00 0.00 H ATOM 824 H THR A 86 10.720 6.841 5.175 1.00 0.00 H ATOM 825 N CYS A 87 8.622 8.794 6.731 1.00 16.55 N ATOM 826 CA CYS A 87 7.341 9.218 7.293 1.00 17.07 C ATOM 827 C CYS A 87 7.070 8.612 8.654 1.00 16.52 C ATOM 828 O CYS A 87 6.599 9.304 9.547 1.00 16.29 O ATOM 829 CB CYS A 87 6.187 8.907 6.322 1.00 17.29 C ATOM 830 SG CYS A 87 4.593 9.592 6.851 1.00 18.03 S ATOM 831 H CYS A 87 8.620 8.295 5.818 1.00 0.00 H ATOM 832 N GLU A 88 7.383 7.327 8.815 1.00 17.16 N ATOM 833 CA GLU A 88 7.272 6.666 10.107 1.00 17.66 C ATOM 834 C GLU A 88 8.191 7.248 11.197 1.00 16.58 C ATOM 835 O GLU A 88 7.745 7.421 12.334 1.00 15.05 O ATOM 836 CB GLU A 88 7.521 5.158 9.998 1.00 19.54 C ATOM 837 CG GLU A 88 6.437 4.413 9.264 1.00 21.50 C ATOM 838 CD GLU A 88 5.112 4.400 9.998 1.00 22.47 C ATOM 839 OE1 GLU A 88 5.090 4.402 11.248 1.00 23.49 O ATOM 840 OE2 GLU A 88 4.099 4.354 9.298 1.00 23.66 O ATOM 841 H GLU A 88 7.716 6.781 7.995 1.00 0.00 H ATOM 842 N CYS A 89 9.453 7.515 10.886 1.00 16.42 N ATOM 843 CA CYS A 89 10.320 8.263 11.845 1.00 16.72 C ATOM 844 C CYS A 89 9.697 9.633 12.223 1.00 16.49 C ATOM 845 O CYS A 89 9.548 9.957 13.409 1.00 15.91 O ATOM 846 CB CYS A 89 11.726 8.494 11.273 1.00 16.80 C ATOM 847 SG CYS A 89 12.771 7.039 11.085 1.00 17.08 S ATOM 848 H CYS A 89 9.839 7.203 9.972 1.00 0.00 H ATOM 849 N ASP A 90 9.303 10.413 11.219 1.00 17.02 N ATOM 850 CA ASP A 90 8.703 11.750 11.478 1.00 17.81 C ATOM 851 C ASP A 90 7.441 11.640 12.351 1.00 19.32 C ATOM 852 O ASP A 90 7.227 12.428 13.286 1.00 19.13 O ATOM 853 CB ASP A 90 8.398 12.448 10.147 1.00 17.85 C ATOM 854 CG ASP A 90 9.667 12.868 9.390 1.00 17.61 C ATOM 855 OD1 ASP A 90 10.787 12.502 9.783 1.00 17.43 O ATOM 856 OD2 ASP A 90 9.564 13.594 8.402 1.00 16.77 O ATOM 857 H ASP A 90 9.416 10.083 10.239 1.00 0.00 H ATOM 858 N LYS A 91 6.615 10.634 12.050 1.00 20.58 N ATOM 859 CA LYS A 91 5.332 10.428 12.725 1.00 20.53 C ATOM 860 C LYS A 91 5.550 10.174 14.201 1.00 21.04 C ATOM 861 O LYS A 91 4.925 10.822 15.054 1.00 21.11 O ATOM 862 CB LYS A 91 4.543 9.262 12.051 1.00 20.97 C ATOM 863 CG LYS A 91 3.330 8.745 12.827 1.00 20.60 C ATOM 864 CD LYS A 91 2.562 7.661 12.069 1.00 21.00 C ATOM 865 CE LYS A 91 1.512 7.024 12.941 1.00 21.22 C ATOM 866 NZ LYS A 91 1.126 5.701 12.423 1.00 22.27 N ATOM 867 HZ1 LYS A 91 0.743 5.805 11.462 1.00 0.00 H ATOM 868 HZ2 LYS A 91 1.961 5.082 12.400 1.00 0.00 H ATOM 869 HZ3 LYS A 91 0.402 5.285 13.043 1.00 0.00 H ATOM 870 H LYS A 91 6.896 9.967 11.303 1.00 0.00 H ATOM 871 N ARG A 92 6.445 9.240 14.503 1.00 21.22 N ATOM 872 CA ARG A 92 6.801 8.932 15.897 1.00 22.27 C ATOM 873 C ARG A 92 7.280 10.177 16.654 1.00 20.68 C ATOM 874 O ARG A 92 6.874 10.409 17.776 1.00 21.95 O ATOM 875 CB ARG A 92 7.845 7.817 15.948 1.00 24.70 C ATOM 876 CG ARG A 92 7.944 7.123 17.301 1.00 29.28 C ATOM 877 CD ARG A 92 8.748 5.820 17.254 1.00 31.66 C ATOM 878 NE ARG A 92 8.326 4.964 16.141 1.00 35.22 N ATOM 879 CZ ARG A 92 9.071 4.564 15.106 1.00 37.04 C ATOM 880 NH1 ARG A 92 10.367 4.882 14.982 1.00 39.66 N ATOM 881 NH2 ARG A 92 8.508 3.794 14.183 1.00 37.32 N ATOM 882 HE ARG A 92 7.340 4.632 16.159 1.00 0.00 H ATOM 883 HH12 ARG A 92 10.908 4.548 14.159 1.00 0.00 H ATOM 884 HH11 ARG A 92 10.832 5.463 15.709 1.00 0.00 H ATOM 885 HH22 ARG A 92 9.065 3.468 13.367 1.00 0.00 H ATOM 886 HH21 ARG A 92 7.510 3.516 14.276 1.00 0.00 H ATOM 887 H ARG A 92 6.906 8.713 13.734 1.00 0.00 H ATOM 888 N ALA A 93 8.108 10.990 16.010 1.00 19.37 N ATOM 889 CA ALA A 93 8.561 12.267 16.567 1.00 19.35 C ATOM 890 C ALA A 93 7.455 13.293 16.796 1.00 18.27 C ATOM 891 O ALA A 93 7.409 13.913 17.834 1.00 18.50 O ATOM 892 CB ALA A 93 9.670 12.870 15.693 1.00 18.74 C ATOM 893 H ALA A 93 8.450 10.708 15.069 1.00 0.00 H ATOM 894 N ALA A 94 6.571 13.475 15.817 1.00 18.87 N ATOM 895 CA ALA A 94 5.481 14.420 15.932 1.00 18.19 C ATOM 896 C ALA A 94 4.528 14.010 17.055 1.00 18.91 C ATOM 897 O ALA A 94 4.086 14.853 17.862 1.00 17.30 O ATOM 898 CB ALA A 94 4.738 14.536 14.611 1.00 19.31 C ATOM 899 H ALA A 94 6.667 12.921 14.942 1.00 0.00 H ATOM 900 N LEU A 95 4.248 12.706 17.117 1.00 19.38 N ATOM 901 CA LEU A 95 3.442 12.150 18.189 1.00 19.45 C ATOM 902 C LEU A 95 4.114 12.333 19.543 1.00 20.21 C ATOM 903 O LEU A 95 3.457 12.702 20.530 1.00 20.56 O ATOM 904 CB LEU A 95 3.157 10.673 17.948 1.00 19.63 C ATOM 905 CG LEU A 95 2.124 10.312 16.859 1.00 20.34 C ATOM 906 CD1 LEU A 95 2.072 8.794 16.687 1.00 19.77 C ATOM 907 CD2 LEU A 95 0.727 10.838 17.178 1.00 20.55 C ATOM 908 H LEU A 95 4.616 12.073 16.379 1.00 0.00 H ATOM 909 N CYS A 96 5.417 12.083 19.586 1.00 20.49 N ATOM 910 CA CYS A 96 6.200 12.341 20.783 1.00 20.78 C ATOM 911 C CYS A 96 6.120 13.844 21.185 1.00 22.40 C ATOM 912 O CYS A 96 5.918 14.159 22.369 1.00 19.77 O ATOM 913 CB CYS A 96 7.640 11.872 20.561 1.00 20.10 C ATOM 914 SG CYS A 96 8.748 11.880 21.998 1.00 19.17 S ATOM 915 H CYS A 96 5.888 11.694 18.744 1.00 0.00 H ATOM 916 N PHE A 97 6.236 14.759 20.212 1.00 23.40 N ATOM 917 CA PHE A 97 6.102 16.196 20.526 1.00 24.66 C ATOM 918 C PHE A 97 4.739 16.489 21.146 1.00 25.12 C ATOM 919 O PHE A 97 4.670 17.108 22.222 1.00 24.44 O ATOM 920 CB PHE A 97 6.289 17.124 19.316 1.00 24.01 C ATOM 921 CG PHE A 97 7.664 17.118 18.720 1.00 24.30 C ATOM 922 CD1 PHE A 97 8.817 16.898 19.493 1.00 23.61 C ATOM 923 CD2 PHE A 97 7.822 17.384 17.355 1.00 24.10 C ATOM 924 CE1 PHE A 97 10.084 16.907 18.900 1.00 22.18 C ATOM 925 CE2 PHE A 97 9.081 17.401 16.771 1.00 23.16 C ATOM 926 CZ PHE A 97 10.214 17.170 17.553 1.00 22.14 C ATOM 927 H PHE A 97 6.421 14.456 19.234 1.00 0.00 H ATOM 928 N ARG A 98 3.669 16.022 20.498 1.00 25.04 N ATOM 929 CA ARG A 98 2.321 16.266 21.013 1.00 25.43 C ATOM 930 C ARG A 98 2.176 15.740 22.434 1.00 24.03 C ATOM 931 O ARG A 98 1.616 16.427 23.301 1.00 24.43 O ATOM 932 CB ARG A 98 1.231 15.631 20.139 1.00 27.34 C ATOM 933 CG ARG A 98 -0.191 15.978 20.603 1.00 29.83 C ATOM 934 CD ARG A 98 -1.296 15.459 19.690 1.00 33.30 C ATOM 935 NE ARG A 98 -1.489 14.007 19.786 1.00 36.50 N ATOM 936 CZ ARG A 98 -2.334 13.295 19.023 1.00 40.06 C ATOM 937 NH1 ARG A 98 -3.100 13.899 18.113 1.00 42.71 N ATOM 938 NH2 ARG A 98 -2.433 11.970 19.171 1.00 37.18 N ATOM 939 HE ARG A 98 -0.931 13.492 20.497 1.00 0.00 H ATOM 940 HH12 ARG A 98 -3.751 13.339 17.527 1.00 0.00 H ATOM 941 HH11 ARG A 98 -3.046 14.930 17.990 1.00 0.00 H ATOM 942 HH22 ARG A 98 -3.091 11.428 18.575 1.00 0.00 H ATOM 943 HH21 ARG A 98 -1.852 11.481 19.882 1.00 0.00 H ATOM 944 H ARG A 98 3.795 15.480 19.619 1.00 0.00 H ATOM 945 N ARG A 99 2.667 14.529 22.647 1.00 22.87 N ATOM 946 CA ARG A 99 2.536 13.830 23.916 1.00 26.04 C ATOM 947 C ARG A 99 3.212 14.571 25.105 1.00 26.01 C ATOM 948 O ARG A 99 2.711 14.580 26.234 1.00 26.10 O ATOM 949 CB ARG A 99 3.101 12.407 23.764 1.00 27.92 C ATOM 950 CG ARG A 99 2.946 11.523 24.979 1.00 28.98 C ATOM 951 CD ARG A 99 3.222 10.065 24.622 1.00 30.49 C ATOM 952 NE ARG A 99 4.641 9.797 24.337 1.00 31.82 N ATOM 953 CZ ARG A 99 5.181 9.437 23.161 1.00 30.42 C ATOM 954 NH1 ARG A 99 4.458 9.279 22.050 1.00 29.02 N ATOM 955 NH2 ARG A 99 6.498 9.216 23.107 1.00 30.46 N ATOM 956 HE ARG A 99 5.299 9.898 25.136 1.00 0.00 H ATOM 957 HH12 ARG A 99 4.923 8.999 21.163 1.00 0.00 H ATOM 958 HH11 ARG A 99 3.430 9.436 22.072 1.00 0.00 H ATOM 959 HH22 ARG A 99 6.942 8.936 22.209 1.00 0.00 H ATOM 960 HH21 ARG A 99 7.079 9.324 23.963 1.00 0.00 H ATOM 961 H ARG A 99 3.170 14.055 21.870 1.00 0.00 H ATOM 962 N ASN A 100 4.327 15.214 24.821 1.00 25.53 N ATOM 963 CA ASN A 100 5.047 16.017 25.811 1.00 26.87 C ATOM 964 C ASN A 100 4.787 17.523 25.747 1.00 26.27 C ATOM 965 O ASN A 100 5.581 18.313 26.258 1.00 26.62 O ATOM 966 CB ASN A 100 6.526 15.721 25.640 1.00 26.32 C ATOM 967 CG ASN A 100 6.827 14.310 26.010 1.00 26.21 C ATOM 968 OD1 ASN A 100 6.791 13.979 27.192 1.00 27.54 O ATOM 969 ND2 ASN A 100 7.045 13.452 25.019 1.00 24.91 N ATOM 970 HD22 ASN A 100 7.065 13.788 24.035 1.00 0.00 H ATOM 971 HD21 ASN A 100 7.196 12.444 25.227 1.00 0.00 H ATOM 972 H ASN A 100 4.710 15.148 23.856 1.00 0.00 H ATOM 973 N LEU A 101 3.682 17.933 25.141 1.00 25.82 N ATOM 974 CA LEU A 101 3.354 19.366 25.120 1.00 27.72 C ATOM 975 C LEU A 101 3.274 19.983 26.515 1.00 28.99 C ATOM 976 O LEU A 101 3.555 21.169 26.673 1.00 28.85 O ATOM 977 CB LEU A 101 2.047 19.639 24.374 1.00 27.46 C ATOM 978 CG LEU A 101 2.180 19.699 22.854 1.00 28.50 C ATOM 979 CD1 LEU A 101 0.813 19.641 22.201 1.00 29.21 C ATOM 980 CD2 LEU A 101 2.894 20.967 22.416 1.00 30.08 C ATOM 981 H LEU A 101 3.051 17.245 24.683 1.00 0.00 H ATOM 982 N GLY A 102 2.890 19.173 27.508 1.00 31.49 N ATOM 983 CA GLY A 102 2.788 19.600 28.896 1.00 30.20 C ATOM 984 C GLY A 102 4.070 20.106 29.513 1.00 30.13 C ATOM 985 O GLY A 102 4.004 20.896 30.438 1.00 31.53 O ATOM 986 H GLY A 102 2.652 18.187 27.276 1.00 0.00 H ATOM 987 N THR A 103 5.227 19.639 29.028 1.00 28.86 N ATOM 988 CA THR A 103 6.534 20.068 29.555 1.00 27.95 C ATOM 989 C THR A 103 7.360 20.863 28.555 1.00 26.80 C ATOM 990 O THR A 103 8.488 21.225 28.856 1.00 26.87 O ATOM 991 CB THR A 103 7.351 18.870 30.022 1.00 30.52 C ATOM 992 OG1 THR A 103 7.621 17.984 28.916 1.00 29.38 O ATOM 993 CG2 THR A 103 6.587 18.119 31.148 1.00 30.72 C ATOM 994 HG1 THR A 103 8.130 18.471 28.221 1.00 0.00 H ATOM 995 H THR A 103 5.202 18.948 28.251 1.00 0.00 H ATOM 996 N TYR A 104 6.806 21.136 27.373 1.00 24.89 N ATOM 997 CA TYR A 104 7.418 22.104 26.466 1.00 25.22 C ATOM 998 C TYR A 104 7.695 23.413 27.224 1.00 24.16 C ATOM 999 O TYR A 104 6.802 23.975 27.837 1.00 23.48 O ATOM 1000 CB TYR A 104 6.553 22.381 25.211 1.00 22.80 C ATOM 1001 CG TYR A 104 7.287 23.228 24.170 1.00 22.13 C ATOM 1002 CD1 TYR A 104 7.344 24.618 24.275 1.00 21.62 C ATOM 1003 CD2 TYR A 104 7.933 22.637 23.080 1.00 22.37 C ATOM 1004 CE1 TYR A 104 8.012 25.384 23.343 1.00 21.32 C ATOM 1005 CE2 TYR A 104 8.605 23.405 22.137 1.00 21.79 C ATOM 1006 CZ TYR A 104 8.646 24.787 22.285 1.00 22.00 C ATOM 1007 OH TYR A 104 9.326 25.559 21.360 1.00 21.63 O ATOM 1008 HH TYR A 104 9.256 26.513 21.613 1.00 0.00 H ATOM 1009 H TYR A 104 5.928 20.654 27.094 1.00 0.00 H ATOM 1010 N ASN A 105 8.943 23.866 27.171 1.00 26.60 N ATOM 1011 CA ASN A 105 9.368 25.099 27.818 1.00 27.92 C ATOM 1012 C ASN A 105 10.084 25.983 26.790 1.00 29.85 C ATOM 1013 O ASN A 105 11.016 25.537 26.093 1.00 28.29 O ATOM 1014 CB ASN A 105 10.293 24.793 28.983 1.00 29.22 C ATOM 1015 CG ASN A 105 10.495 26.000 29.897 1.00 30.24 C ATOM 1016 OD1 ASN A 105 10.561 27.135 29.436 1.00 29.82 O ATOM 1017 ND2 ASN A 105 10.583 25.752 31.195 1.00 31.14 N ATOM 1018 HD22 ASN A 105 10.522 24.774 31.543 1.00 0.00 H ATOM 1019 HD21 ASN A 105 10.713 26.535 31.866 1.00 0.00 H ATOM 1020 H ASN A 105 9.649 23.314 26.643 1.00 0.00 H ATOM 1021 N ARG A 106 9.645 27.240 26.710 1.00 30.96 N ATOM 1022 CA ARG A 106 10.155 28.186 25.715 1.00 31.28 C ATOM 1023 C ARG A 106 11.590 28.579 25.937 1.00 29.61 C ATOM 1024 O ARG A 106 12.278 28.954 24.969 1.00 29.12 O ATOM 1025 CB ARG A 106 9.298 29.455 25.664 1.00 33.38 C ATOM 1026 CG ARG A 106 8.065 29.295 24.812 1.00 35.14 C ATOM 1027 CD ARG A 106 7.338 30.618 24.712 1.00 38.40 C ATOM 1028 NE ARG A 106 6.727 31.016 25.980 1.00 40.27 N ATOM 1029 CZ ARG A 106 5.533 30.611 26.421 1.00 43.64 C ATOM 1030 NH1 ARG A 106 4.775 29.757 25.711 1.00 44.66 N ATOM 1031 NH2 ARG A 106 5.086 31.074 27.585 1.00 42.44 N ATOM 1032 HE ARG A 106 7.265 31.667 26.587 1.00 0.00 H ATOM 1033 HH12 ARG A 106 3.849 29.457 26.076 1.00 0.00 H ATOM 1034 HH11 ARG A 106 5.115 29.397 24.797 1.00 0.00 H ATOM 1035 HH22 ARG A 106 4.159 30.770 27.944 1.00 0.00 H ATOM 1036 HH21 ARG A 106 5.664 31.740 28.136 1.00 0.00 H ATOM 1037 H ARG A 106 8.915 27.560 27.378 1.00 0.00 H ATOM 1038 N LYS A 107 12.045 28.494 27.184 1.00 28.35 N ATOM 1039 CA LYS A 107 13.455 28.744 27.483 1.00 30.20 C ATOM 1040 C LYS A 107 14.439 27.838 26.705 1.00 30.51 C ATOM 1041 O LYS A 107 15.594 28.216 26.504 1.00 31.91 O ATOM 1042 CB LYS A 107 13.711 28.669 28.989 1.00 31.55 C ATOM 1043 CG LYS A 107 13.961 27.284 29.531 1.00 34.88 C ATOM 1044 CD LYS A 107 14.151 27.311 31.041 1.00 35.64 C ATOM 1045 CE LYS A 107 14.533 25.930 31.566 1.00 35.41 C ATOM 1046 NZ LYS A 107 14.837 25.895 33.027 1.00 34.17 N ATOM 1047 HZ1 LYS A 107 15.635 26.531 33.229 1.00 0.00 H ATOM 1048 HZ2 LYS A 107 14.001 26.205 33.561 1.00 0.00 H ATOM 1049 HZ3 LYS A 107 15.087 24.924 33.305 1.00 0.00 H ATOM 1050 H LYS A 107 11.392 28.247 27.954 1.00 0.00 H ATOM 1051 N TYR A 108 13.991 26.658 26.268 1.00 28.83 N ATOM 1052 CA TYR A 108 14.829 25.754 25.486 1.00 28.49 C ATOM 1053 C TYR A 108 14.772 25.969 23.983 1.00 27.89 C ATOM 1054 O TYR A 108 15.591 25.393 23.268 1.00 26.73 O ATOM 1055 CB TYR A 108 14.495 24.277 25.795 1.00 28.66 C ATOM 1056 CG TYR A 108 14.793 23.863 27.226 1.00 29.65 C ATOM 1057 CD1 TYR A 108 16.065 24.061 27.782 1.00 29.89 C ATOM 1058 CD2 TYR A 108 13.825 23.260 28.021 1.00 29.49 C ATOM 1059 CE1 TYR A 108 16.355 23.675 29.077 1.00 29.07 C ATOM 1060 CE2 TYR A 108 14.110 22.870 29.323 1.00 30.05 C ATOM 1061 CZ TYR A 108 15.382 23.080 29.840 1.00 29.15 C ATOM 1062 OH TYR A 108 15.679 22.729 31.127 1.00 29.55 O ATOM 1063 HH TYR A 108 16.625 22.951 31.319 1.00 0.00 H ATOM 1064 H TYR A 108 13.016 26.375 26.492 1.00 0.00 H ATOM 1065 N ALA A 109 13.837 26.759 23.460 1.00 28.93 N ATOM 1066 CA ALA A 109 13.939 27.083 22.028 1.00 31.00 C ATOM 1067 C ALA A 109 15.213 27.924 21.811 1.00 31.17 C ATOM 1068 O ALA A 109 15.570 28.742 22.663 1.00 28.23 O ATOM 1069 CB ALA A 109 12.704 27.790 21.518 1.00 31.64 C ATOM 1070 H ALA A 109 13.062 27.134 24.043 1.00 0.00 H ATOM 1071 N HIS A 110 15.936 27.642 20.727 1.00 32.83 N ATOM 1072 CA HIS A 110 17.156 28.371 20.392 1.00 37.04 C ATOM 1073 C HIS A 110 18.161 28.258 21.519 1.00 38.72 C ATOM 1074 O HIS A 110 18.749 29.251 21.954 1.00 38.86 O ATOM 1075 CB HIS A 110 16.832 29.845 20.062 1.00 39.08 C ATOM 1076 CG HIS A 110 15.668 29.994 19.139 1.00 39.78 C ATOM 1077 ND1 HIS A 110 15.714 29.584 17.822 1.00 43.48 N ATOM 1078 CD2 HIS A 110 14.412 30.446 19.351 1.00 40.74 C ATOM 1079 CE1 HIS A 110 14.539 29.794 17.260 1.00 45.05 C ATOM 1080 NE2 HIS A 110 13.734 30.324 18.166 1.00 45.95 N ATOM 1081 H HIS A 110 15.620 26.876 20.098 1.00 0.00 H ATOM 1082 N TYR A 111 18.362 27.029 21.983 1.00 38.48 N ATOM 1083 CA TYR A 111 19.207 26.788 23.131 1.00 37.42 C ATOM 1084 C TYR A 111 20.670 26.934 22.719 1.00 40.17 C ATOM 1085 O TYR A 111 21.068 26.356 21.707 1.00 41.68 O ATOM 1086 CB TYR A 111 18.959 25.394 23.655 1.00 36.44 C ATOM 1087 CG TYR A 111 19.402 25.137 25.068 1.00 35.58 C ATOM 1088 CD1 TYR A 111 18.918 25.902 26.131 1.00 33.53 C ATOM 1089 CD2 TYR A 111 20.256 24.061 25.361 1.00 36.12 C ATOM 1090 CE1 TYR A 111 19.307 25.632 27.438 1.00 33.36 C ATOM 1091 CE2 TYR A 111 20.638 23.778 26.668 1.00 34.68 C ATOM 1092 CZ TYR A 111 20.157 24.552 27.692 1.00 33.88 C ATOM 1093 OH TYR A 111 20.545 24.248 28.962 1.00 36.79 O ATOM 1094 HH TYR A 111 20.126 24.883 29.595 1.00 0.00 H ATOM 1095 H TYR A 111 17.902 26.224 21.511 1.00 0.00 H ATOM 1096 N PRO A 112 21.461 27.734 23.473 1.00 41.43 N ATOM 1097 CA PRO A 112 22.899 27.843 23.194 1.00 43.45 C ATOM 1098 C PRO A 112 23.619 26.502 23.338 1.00 42.14 C ATOM 1099 O PRO A 112 23.518 25.851 24.382 1.00 37.43 O ATOM 1100 CB PRO A 112 23.413 28.852 24.244 1.00 43.83 C ATOM 1101 CG PRO A 112 22.212 29.613 24.679 1.00 44.33 C ATOM 1102 CD PRO A 112 21.017 28.724 24.474 1.00 43.81 C ATOM 1103 N ASN A 113 24.350 26.118 22.294 1.00 42.16 N ATOM 1104 CA ASN A 113 24.971 24.807 22.236 1.00 44.14 C ATOM 1105 C ASN A 113 26.079 24.641 23.301 1.00 44.55 C ATOM 1106 O ASN A 113 26.390 23.518 23.692 1.00 47.38 O ATOM 1107 CB ASN A 113 25.481 24.515 20.814 1.00 47.75 C ATOM 1108 CG ASN A 113 25.181 23.090 20.364 1.00 49.15 C ATOM 1109 OD1 ASN A 113 24.081 22.796 19.872 1.00 45.77 O ATOM 1110 ND2 ASN A 113 26.165 22.193 20.529 1.00 49.86 N ATOM 1111 HD22 ASN A 113 27.071 22.486 20.946 1.00 0.00 H ATOM 1112 HD21 ASN A 113 26.021 21.204 20.239 1.00 0.00 H ATOM 1113 H ASN A 113 24.480 26.775 21.498 1.00 0.00 H ATOM 1114 N LYS A 114 26.644 25.748 23.783 1.00 41.66 N ATOM 1115 CA LYS A 114 27.538 25.728 24.955 1.00 43.69 C ATOM 1116 C LYS A 114 26.887 25.220 26.236 1.00 39.98 C ATOM 1117 O LYS A 114 27.587 24.741 27.124 1.00 38.52 O ATOM 1118 CB LYS A 114 28.131 27.132 25.247 1.00 46.53 C ATOM 1119 CG LYS A 114 27.121 28.175 25.726 1.00 49.04 C ATOM 1120 CD LYS A 114 27.705 29.590 25.857 1.00 53.04 C ATOM 1121 CE LYS A 114 27.797 30.053 27.312 1.00 54.47 C ATOM 1122 NZ LYS A 114 28.675 29.169 28.138 1.00 55.99 N ATOM 1123 HZ1 LYS A 114 28.294 28.201 28.132 1.00 0.00 H ATOM 1124 HZ2 LYS A 114 29.636 29.167 27.740 1.00 0.00 H ATOM 1125 HZ3 LYS A 114 28.704 29.526 29.114 1.00 0.00 H ATOM 1126 H LYS A 114 26.447 26.656 23.316 1.00 0.00 H ATOM 1127 N LEU A 115 25.567 25.365 26.361 1.00 38.87 N ATOM 1128 CA LEU A 115 24.856 24.866 27.544 1.00 37.43 C ATOM 1129 C LEU A 115 24.590 23.364 27.471 1.00 35.00 C ATOM 1130 O LEU A 115 24.041 22.787 28.421 1.00 35.25 O ATOM 1131 CB LEU A 115 23.547 25.630 27.774 1.00 39.78 C ATOM 1132 CG LEU A 115 23.704 27.039 28.353 1.00 42.85 C ATOM 1133 CD1 LEU A 115 22.457 27.876 28.130 1.00 42.11 C ATOM 1134 CD2 LEU A 115 24.043 26.976 29.842 1.00 43.38 C ATOM 1135 H LEU A 115 25.032 25.840 25.606 1.00 0.00 H ATOM 1136 N CYS A 116 24.957 22.725 26.359 1.00 31.31 N ATOM 1137 CA CYS A 116 24.818 21.282 26.249 1.00 31.34 C ATOM 1138 C CYS A 116 26.036 20.595 26.876 1.00 29.61 C ATOM 1139 O CYS A 116 27.160 20.741 26.395 1.00 32.93 O ATOM 1140 CB CYS A 116 24.614 20.872 24.787 1.00 30.54 C ATOM 1141 SG CYS A 116 23.042 21.486 24.102 1.00 31.22 S ATOM 1142 H CYS A 116 25.347 23.266 25.561 1.00 0.00 H ATOM 1143 N THR A 117 25.787 19.862 27.956 1.00 28.91 N ATOM 1144 CA THR A 117 26.825 19.208 28.744 1.00 30.58 C ATOM 1145 C THR A 117 26.451 17.761 29.077 1.00 32.40 C ATOM 1146 O THR A 117 25.305 17.358 28.880 1.00 33.28 O ATOM 1147 CB THR A 117 27.079 19.947 30.072 1.00 28.04 C ATOM 1148 OG1 THR A 117 25.861 19.996 30.849 1.00 26.64 O ATOM 1149 CG2 THR A 117 27.624 21.352 29.796 1.00 28.17 C ATOM 1150 HG1 THR A 117 25.556 19.074 31.041 1.00 0.00 H ATOM 1151 H THR A 117 24.798 19.749 28.256 1.00 0.00 H ATOM 1152 N GLY A 118 27.432 17.008 29.587 1.00 33.17 N ATOM 1153 CA GLY A 118 27.247 15.611 29.961 1.00 31.73 C ATOM 1154 C GLY A 118 27.608 14.636 28.865 1.00 31.46 C ATOM 1155 O GLY A 118 28.105 15.029 27.795 1.00 32.63 O ATOM 1156 H GLY A 118 28.369 17.439 29.723 1.00 0.00 H ATOM 1157 N PRO A 119 27.346 13.345 29.116 1.00 32.48 N ATOM 1158 CA PRO A 119 27.592 12.353 28.095 1.00 33.62 C ATOM 1159 C PRO A 119 26.543 12.453 26.983 1.00 33.33 C ATOM 1160 O PRO A 119 25.531 13.128 27.140 1.00 31.24 O ATOM 1161 CB PRO A 119 27.487 11.022 28.857 1.00 33.94 C ATOM 1162 CG PRO A 119 26.639 11.308 30.057 1.00 35.26 C ATOM 1163 CD PRO A 119 26.609 12.795 30.272 1.00 34.45 C ATOM 1164 N THR A 120 26.823 11.793 25.871 1.00 35.50 N ATOM 1165 CA THR A 120 25.884 11.629 24.768 1.00 34.86 C ATOM 1166 C THR A 120 25.297 10.229 24.893 1.00 32.87 C ATOM 1167 O THR A 120 26.023 9.262 24.754 1.00 35.65 O ATOM 1168 CB THR A 120 26.631 11.794 23.430 1.00 35.75 C ATOM 1169 OG1 THR A 120 27.191 13.115 23.375 1.00 35.74 O ATOM 1170 CG2 THR A 120 25.720 11.564 22.204 1.00 35.34 C ATOM 1171 HG1 THR A 120 27.820 13.237 24.129 1.00 0.00 H ATOM 1172 H THR A 120 27.767 11.367 25.778 1.00 0.00 H ATOM 1173 N PRO A 121 23.987 10.113 25.160 1.00 31.93 N ATOM 1174 CA PRO A 121 23.373 8.791 25.237 1.00 31.03 C ATOM 1175 C PRO A 121 23.386 8.039 23.902 1.00 33.53 C ATOM 1176 O PRO A 121 23.217 8.665 22.843 1.00 32.36 O ATOM 1177 CB PRO A 121 21.940 9.071 25.649 1.00 31.41 C ATOM 1178 CG PRO A 121 21.700 10.523 25.432 1.00 30.74 C ATOM 1179 CD PRO A 121 23.005 11.207 25.252 1.00 31.79 C ATOM 1180 N PRO A 122 23.577 6.704 23.945 1.00 31.17 N ATOM 1181 CA PRO A 122 23.602 5.967 22.700 1.00 31.08 C ATOM 1182 C PRO A 122 22.163 5.776 22.167 1.00 28.75 C ATOM 1183 O PRO A 122 21.191 5.971 22.913 1.00 28.00 O ATOM 1184 CB PRO A 122 24.185 4.615 23.139 1.00 32.12 C ATOM 1185 CG PRO A 122 23.532 4.390 24.481 1.00 32.60 C ATOM 1186 CD PRO A 122 23.364 5.787 25.086 1.00 33.06 C ATOM 1187 N CYS A 123 22.034 5.382 20.907 1.00 27.51 N ATOM 1188 CA CYS A 123 20.707 5.071 20.340 1.00 29.52 C ATOM 1189 C CYS A 123 20.123 3.776 20.914 1.00 31.35 C ATOM 1190 O CYS A 123 18.902 3.574 20.939 1.00 33.64 O ATOM 1191 CB CYS A 123 20.781 4.997 18.817 1.00 26.37 C ATOM 1192 SG CYS A 123 21.124 6.596 18.086 1.00 26.54 S ATOM 1193 OXT CYS A 123 20.862 2.922 21.393 1.00 36.02 O ATOM 1194 H CYS A 123 22.880 5.291 20.310 1.00 0.00 H TER 1195 CYS A 123 HETATM 1196 CA CA A 1 18.871 16.632 15.652 1.00 53.31 CA HETATM 1197 O HOH 2 4.471 23.710 27.975 1.00 27.19 O HETATM 1198 O HOH 3 10.362 29.173 30.626 1.00 34.24 O HETATM 1199 O HOH 4 20.824 26.468 19.269 1.00 39.40 O HETATM 1200 O HOH 5 17.458 0.563 0.759 1.00 42.32 O HETATM 1201 O HOH 6 13.224 5.117 -6.892 1.00 39.80 O HETATM 1202 O HOH 7 19.725 6.012 25.008 1.00 34.89 O HETATM 1203 O HOH 8 21.772 23.360 20.838 1.00 30.14 O HETATM 1204 O HOH 9 5.871 11.944 28.485 1.00 32.60 O HETATM 1205 O HOH 10 22.223 13.295 17.179 1.00 34.33 O HETATM 1206 O HOH 11 10.999 20.862 29.830 1.00 24.20 O HETATM 1207 O HOH 12 19.562 24.948 31.270 1.00 39.47 O HETATM 1208 O HOH 13 6.271 15.721 29.080 1.00 24.08 O HETATM 1209 O HOH 14 9.362 18.671 27.078 1.00 24.38 O HETATM 1210 O HOH 15 28.347 21.802 24.030 1.00 35.18 O HETATM 1211 O HOH 16 9.421 28.182 21.358 1.00 30.18 O HETATM 1212 O HOH 17 2.608 15.992 -0.593 1.00 26.43 O HETATM 1213 O HOH 18 5.742 5.728 13.438 1.00 32.21 O HETATM 1214 O HOH 19 7.677 2.672 -8.658 1.00 49.64 O HETATM 1215 O HOH 20 22.041 21.324 29.343 1.00 35.00 O HETATM 1216 O HOH 21 -5.692 9.971 7.661 1.00 31.05 O HETATM 1217 O HOH 22 19.109 0.139 9.926 1.00 18.53 O HETATM 1218 O HOH 23 5.888 8.601 19.514 1.00 24.35 O HETATM 1219 O HOH 24 13.931 18.545 32.079 1.00 37.54 O HETATM 1220 O HOH 25 11.172 14.750 6.546 1.00 24.83 O HETATM 1221 O HOH 26 29.188 10.463 25.740 1.00 35.06 O HETATM 1222 O HOH 27 13.713 30.728 22.684 1.00 34.55 O HETATM 1223 O HOH 28 13.148 6.655 -2.182 1.00 18.12 O HETATM 1224 O HOH 29 29.078 13.962 25.168 1.00 46.46 O HETATM 1225 O HOH 30 24.058 19.523 21.143 1.00 38.75 O HETATM 1226 O HOH 31 10.995 10.540 18.291 1.00 19.07 O HETATM 1227 O HOH 32 6.354 19.176 22.860 1.00 20.28 O HETATM 1228 O HOH 33 -5.554 9.278 3.687 1.00 17.37 O HETATM 1229 O HOH 34 26.045 17.980 32.739 1.00 35.64 O HETATM 1230 O HOH 35 16.200 8.105 22.142 1.00 17.69 O HETATM 1231 O HOH 36 4.751 27.756 23.291 1.00 28.86 O HETATM 1232 O HOH 37 22.035 5.816 2.790 1.00 45.49 O HETATM 1233 O HOH 38 12.250 0.009 14.454 1.00 57.91 O HETATM 1234 O HOH 39 3.842 1.776 8.252 1.00 21.90 O HETATM 1235 O HOH 40 2.002 16.541 28.119 1.00 39.99 O HETATM 1236 O HOH 41 7.913 8.188 20.899 1.00 19.64 O HETATM 1237 O HOH 42 19.922 17.371 30.672 1.00 25.35 O HETATM 1238 O HOH 43 -0.563 16.413 25.102 1.00 34.16 O HETATM 1239 O HOH 44 0.984 3.534 6.198 1.00 29.54 O HETATM 1240 O HOH 45 8.691 9.006 27.432 1.00 33.07 O HETATM 1241 O HOH 46 17.836 11.412 31.640 1.00 40.43 O HETATM 1242 O HOH 47 12.003 10.626 -1.879 1.00 34.73 O HETATM 1243 O HOH 48 15.110 5.606 17.940 1.00 24.91 O HETATM 1244 O HOH 49 20.901 4.978 14.527 1.00 29.23 O HETATM 1245 O HOH 50 1.907 4.481 -0.089 1.00 18.58 O HETATM 1246 O HOH 51 16.150 -0.714 10.900 1.00 23.31 O HETATM 1247 O HOH 52 10.647 11.624 24.624 1.00 18.53 O HETATM 1248 O HOH 53 2.947 23.419 24.973 1.00 34.93 O HETATM 1249 O HOH 54 23.808 5.642 10.085 1.00 34.06 O HETATM 1250 O HOH 55 5.052 26.235 27.375 1.00 43.19 O HETATM 1251 O HOH 56 22.996 19.181 28.324 1.00 26.66 O HETATM 1252 O HOH 57 0.648 12.049 20.888 1.00 26.93 O HETATM 1253 O HOH 58 24.892 28.058 20.194 1.00 34.26 O HETATM 1254 O HOH 59 -1.230 8.296 14.547 1.00 23.64 O HETATM 1255 O HOH 60 9.845 16.703 5.238 1.00 38.70 O HETATM 1256 O HOH 61 16.412 14.901 30.276 1.00 40.35 O HETATM 1257 O HOH 62 0.995 14.651 1.946 1.00 23.83 O HETATM 1258 O HOH 63 0.639 4.898 8.392 1.00 22.38 O HETATM 1259 O HOH 64 11.393 -2.184 -1.106 1.00 8.14 O HETATM 1260 O HOH 65 26.737 28.375 22.395 1.00 39.68 O HETATM 1261 O HOH 66 5.811 9.339 27.035 1.00 42.75 O HETATM 1262 O HOH 67 10.144 16.879 30.061 1.00 29.29 O HETATM 1263 O HOH 68 7.035 27.860 28.023 1.00 19.99 O HETATM 1264 O HOH 69 11.327 9.216 15.731 1.00 14.61 O HETATM 1265 O HOH 70 8.060 10.584 25.301 1.00 24.38 O HETATM 1266 O HOH 71 20.659 19.947 17.322 1.00 36.03 O HETATM 1267 O HOH 72 26.157 -4.149 9.920 1.00 28.80 O HETATM 1268 O HOH 73 11.596 27.115 33.729 1.00 35.81 O HETATM 1269 O HOH 74 1.496 9.068 21.336 1.00 22.37 O HETATM 1270 O HOH 75 21.020 -2.679 5.833 1.00 28.02 O HETATM 1271 O HOH 76 -0.056 13.857 27.434 1.00 38.23 O HETATM 1272 O HOH 77 2.746 29.673 29.081 1.00 33.59 O HETATM 1273 O HOH 78 30.047 18.467 28.743 1.00 36.85 O HETATM 1274 O HOH 79 0.494 3.779 2.215 1.00 28.90 O HETATM 1275 O HOH 80 19.256 3.018 16.366 1.00 32.52 O HETATM 1276 O HOH 81 7.506 30.310 29.443 1.00 32.74 O HETATM 1277 O HOH 82 19.843 11.518 4.315 1.00 29.59 O HETATM 1278 O HOH 83 24.386 15.841 31.619 1.00 35.54 O HETATM 1279 O HOH 84 22.038 9.581 15.422 1.00 33.90 O HETATM 1280 O HOH 85 10.805 0.760 -2.798 1.00 21.30 O HETATM 1281 O HOH 86 13.789 14.451 30.582 1.00 17.32 O HETATM 1282 O HOH 87 23.710 11.447 4.608 1.00 42.60 O HETATM 1283 O HOH 88 -4.388 15.600 5.797 1.00 27.20 O HETATM 1284 O HOH 89 5.149 2.510 -7.986 1.00 39.65 O HETATM 1285 O HOH 90 22.149 2.915 12.560 1.00 34.80 O HETATM 1286 O HOH 91 16.217 5.924 20.462 1.00 25.97 O HETATM 1287 O HOH 92 11.672 9.638 22.832 1.00 20.47 O HETATM 1288 O HOH 93 -0.697 12.602 23.239 1.00 36.73 O HETATM 1289 O HOH 94 13.883 8.465 23.532 1.00 25.69 O HETATM 1290 O HOH 95 14.608 4.319 -2.440 1.00 18.03 O HETATM 1291 O HOH 96 22.428 7.051 14.685 1.00 36.60 O HETATM 1292 O HOH 97 4.236 5.677 15.524 1.00 32.88 O HETATM 1293 O HOH 98 20.495 0.331 12.042 1.00 27.80 O HETATM 1294 O HOH 99 30.034 8.990 23.330 1.00 37.86 O HETATM 1295 O HOH 100 10.183 8.951 20.235 1.00 19.03 O HETATM 1296 O HOH 101 9.487 15.353 31.895 1.00 38.28 O HETATM 1297 O HOH 102 4.422 6.432 18.551 1.00 27.46 O HETATM 1298 O HOH 103 -1.850 14.327 25.690 1.00 37.66 O HETATM 1299 OAO UNN A 104 19.243 16.226 12.326 1.00 -0.57 O HETATM 1300 CAN UNN A 104 18.496 15.341 11.818 1.00 0.07 C HETATM 1301 OAP UNN A 104 18.845 14.169 11.465 1.00 -0.57 O HETATM 1302 CAM UNN A 104 17.000 15.709 11.609 1.00 0.12 C HETATM 1303 OAK UNN A 104 16.577 16.731 12.539 1.00 -0.31 O HETATM 1304 CAA UNN A 104 16.268 18.009 12.129 1.00 0.08 C HETATM 1305 CAB UNN A 104 17.037 18.630 11.124 1.00 -0.05 C HETATM 1306 CAC UNN A 104 16.716 19.915 10.728 1.00 -0.09 C HETATM 1307 CAD UNN A 104 15.651 20.538 11.373 1.00 -0.06 C HETATM 1308 CAE UNN A 104 14.933 19.925 12.341 1.00 0.06 C HETATM 1309 CAF UNN A 104 15.223 18.657 12.736 1.00 0.02 C HETATM 1310 CAI UNN A 104 14.326 18.362 13.725 1.00 0.04 C HETATM 1311 CAL UNN A 104 14.217 17.208 14.434 1.00 0.20 C HETATM 1312 OAS UNN A 104 13.164 16.569 14.525 1.00 -0.37 O HETATM 1313 CAQ UNN A 104 15.465 16.688 15.177 1.00 0.26 C HETATM 1314 OAT UNN A 104 16.540 17.286 15.166 1.00 -0.36 O HETATM 1315 NAR UNN A 104 15.309 15.519 15.759 1.00 -0.29 N HETATM 1316 H6 UNN A 104 16.067 15.106 16.263 1.00 0.18 H HETATM 1317 H7 UNN A 104 14.432 15.043 15.697 1.00 0.18 H HETATM 1318 CAH UNN A 104 13.524 19.409 13.887 1.00 0.07 C HETATM 1319 CAJ UNN A 104 12.362 19.488 14.897 1.00 0.00 C HETATM 1320 H8 UNN A 104 12.303 18.546 15.463 1.00 0.05 H HETATM 1321 H9 UNN A 104 11.418 19.651 14.357 1.00 0.05 H HETATM 1322 H10 UNN A 104 12.536 20.323 15.592 1.00 0.05 H HETATM 1323 NAG UNN A 104 13.876 20.389 13.035 1.00 -0.24 N HETATM 1324 CAU UNN A 104 13.272 21.780 12.867 1.00 0.09 C HETATM 1325 CAV UNN A 104 12.419 21.869 11.703 1.00 -0.00 C HETATM 1326 CAW UNN A 104 11.605 20.767 11.368 1.00 -0.06 C HETATM 1327 CAX UNN A 104 10.757 20.780 10.262 1.00 -0.07 C HETATM 1328 CAY UNN A 104 10.676 21.901 9.460 1.00 -0.07 C HETATM 1329 CAZ UNN A 104 11.449 23.010 9.756 1.00 -0.06 C HETATM 1330 CBA UNN A 104 12.311 23.027 10.862 1.00 -0.01 C HETATM 1331 CBB UNN A 104 13.012 24.239 10.973 1.00 -0.02 C HETATM 1332 CBC UNN A 104 14.316 24.347 10.469 1.00 -0.06 C HETATM 1333 CBD UNN A 104 15.010 25.559 10.545 1.00 -0.06 C HETATM 1334 CBE UNN A 104 14.399 26.683 11.106 1.00 -0.06 C HETATM 1335 CBF UNN A 104 13.091 26.586 11.596 1.00 -0.06 C HETATM 1336 CBG UNN A 104 12.394 25.371 11.518 1.00 -0.06 C HETATM 1337 H21 UNN A 104 11.374 25.308 11.881 1.00 0.06 H HETATM 1338 H20 UNN A 104 12.615 27.454 12.038 1.00 0.06 H HETATM 1339 H19 UNN A 104 14.934 27.624 11.162 1.00 0.06 H HETATM 1340 H18 UNN A 104 16.024 25.626 10.168 1.00 0.06 H HETATM 1341 H17 UNN A 104 14.790 23.484 10.017 1.00 0.06 H HETATM 1342 H16 UNN A 104 11.387 23.885 9.119 1.00 0.06 H HETATM 1343 H15 UNN A 104 10.011 21.912 8.604 1.00 0.06 H HETATM 1344 H14 UNN A 104 10.159 19.906 10.030 1.00 0.06 H HETATM 1345 H13 UNN A 104 11.640 19.881 11.991 1.00 0.06 H HETATM 1346 H11 UNN A 104 14.088 22.510 12.764 1.00 0.08 H HETATM 1347 H12 UNN A 104 12.677 22.018 13.761 1.00 0.08 H HETATM 1348 H5 UNN A 104 15.388 21.551 11.089 1.00 0.04 H HETATM 1349 H4 UNN A 104 17.272 20.418 9.945 1.00 0.05 H HETATM 1350 H3 UNN A 104 17.869 18.107 10.668 1.00 0.04 H HETATM 1351 H1 UNN A 104 16.385 14.810 11.761 1.00 0.08 H HETATM 1352 H2 UNN A 104 16.862 16.079 10.582 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 1299 1300 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1351 1352 CONECT 1303 1302 1304 CONECT 1304 1303 1305 1309 CONECT 1305 1304 1306 1350 CONECT 1306 1305 1307 1349 CONECT 1307 1306 1308 1348 CONECT 1308 1307 1309 1323 CONECT 1309 1304 1308 1310 CONECT 1310 1309 1311 1318 CONECT 1311 1310 1312 1313 CONECT 1312 1311 CONECT 1313 1311 1314 1315 CONECT 1314 1313 CONECT 1315 1313 1316 1317 CONECT 1316 1315 CONECT 1317 1315 CONECT 1318 1310 1319 1323 CONECT 1319 1318 1320 1321 1322 CONECT 1320 1319 CONECT 1321 1319 CONECT 1322 1319 CONECT 1323 1308 1318 1324 CONECT 1324 1323 1325 1346 1347 CONECT 1325 1324 1326 1330 CONECT 1326 1325 1327 1345 CONECT 1327 1326 1328 1344 CONECT 1328 1327 1329 1343 CONECT 1329 1328 1330 1342 CONECT 1330 1325 1329 1331 CONECT 1331 1330 1332 1336 CONECT 1332 1331 1333 1341 CONECT 1333 1332 1334 1340 CONECT 1334 1333 1335 1339 CONECT 1335 1334 1336 1338 CONECT 1336 1331 1335 1337 CONECT 1337 1336 CONECT 1338 1335 CONECT 1339 1334 CONECT 1340 1333 CONECT 1341 1332 CONECT 1342 1329 CONECT 1343 1328 CONECT 1344 1327 CONECT 1345 1326 CONECT 1346 1324 CONECT 1347 1324 CONECT 1348 1307 CONECT 1349 1306 CONECT 1350 1305 CONECT 1351 1302 CONECT 1352 1302 MASTER 0 0 0 0 0 0 0 0 1351 1 77 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5wzv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5wzs
RCSB PDB
PDBbind
123aa, >5WZS_1|Chain... *
5wzt
RCSB PDB
PDBbind
123aa, >5WZT_1|Chain... at 100%
5wzu
RCSB PDB
PDBbind
123aa, >5WZU_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
5wzv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Group IIE secretory phospholipase A2
Ligand Name
7W0
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
IC50=0.21uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 10815-10815
Ligand Properties
Formula
C
2
6
H
2
2
N
2
O
5
Molecular Weight
442.463
Exact Mass
442.153
No. of atoms
55
No. of bonds
58
Polar Surface Area
111.62
LOGP Value
4.83 (
Computed with XLOGP3
)
4.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
OC(=O)COc1cccc2c1c(C(=O)C(=O)N)c(n2Cc1ccccc1c1ccccc1)C
InChI String
InChI=1S/C26H22N2O5/c1-16-23(25(31)26(27)32)24-20(12-7-13-21(24)33-15-22(29)30)28(16)14-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
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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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