Browse entries in the PDBbind-CN Database
HEADER 4OEG_COMPLEX COMPND 4OEG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 PRO LYS ARG LEU TYR CYS LYS ASN GLY GLY PHE PHE LEU SEQRES 2 A 124 ARG ILE HIS PRO ASP GLY ARG VAL ASP GLY VAL ARG GLU SEQRES 3 A 124 LYS SER ASP PRO HIS ILE LYS LEU GLN LEU GLN ALA GLU SEQRES 4 A 124 GLU ARG GLY VAL VAL SER ILE LYS GLY VAL SER ALA ASN SEQRES 5 A 124 ARG TYR LEU ALA MET LYS GLU ASP GLY ARG LEU LEU ALA SEQRES 6 A 124 SER LYS SER VAL THR ASP GLU CYS PHE PHE PHE GLU ARG SEQRES 7 A 124 LEU GLU SER ASN ASN TYR ASN THR TYR ARG SER ARG LYS SEQRES 8 A 124 TYR THR SER TRP TYR VAL ALA LEU LYS ARG THR GLY GLN SEQRES 9 A 124 TYR LYS LEU GLY SER LYS THR GLY PRO GLY GLN LYS ALA SEQRES 10 A 124 ILE LEU PHE LEU PRO MET SER HET SUS A 229 59 ATOM 1 N PRO A 20 7.244 9.475 14.299 1.00 36.10 N ATOM 2 CA PRO A 20 7.952 8.189 14.251 1.00 29.63 C ATOM 3 C PRO A 20 7.150 7.086 14.931 1.00 31.98 C ATOM 4 O PRO A 20 6.223 7.380 15.687 1.00 35.84 O ATOM 5 CB PRO A 20 9.230 8.459 15.056 1.00 30.06 C ATOM 6 CG PRO A 20 9.397 9.938 15.041 1.00 33.35 C ATOM 7 CD PRO A 20 8.006 10.498 15.033 1.00 36.14 C ATOM 8 HN2 PRO A 20 6.327 9.336 14.770 1.00 0.00 H ATOM 9 HN1 PRO A 20 7.086 9.808 13.326 1.00 0.00 H ATOM 10 N LYS A 21 7.506 5.833 14.663 1.00 26.61 N ATOM 11 CA LYS A 21 6.904 4.699 15.355 1.00 23.86 C ATOM 12 C LYS A 21 7.995 3.886 16.032 1.00 20.54 C ATOM 13 O LYS A 21 9.161 3.956 15.647 1.00 21.40 O ATOM 14 CB LYS A 21 6.165 3.776 14.384 1.00 23.28 C ATOM 15 CG LYS A 21 5.081 4.430 13.540 1.00 28.49 C ATOM 16 CD LYS A 21 3.854 4.809 14.356 1.00 34.96 C ATOM 17 CE LYS A 21 2.753 5.341 13.437 1.00 37.71 C ATOM 18 NZ LYS A 21 1.895 6.376 14.083 1.00 45.66 N ATOM 19 HZ1 LYS A 21 1.434 5.969 14.922 1.00 0.00 H ATOM 20 HZ2 LYS A 21 2.484 7.184 14.368 1.00 0.00 H ATOM 21 HZ3 LYS A 21 1.170 6.694 13.408 1.00 0.00 H ATOM 22 H LYS A 21 8.233 5.657 13.941 1.00 0.00 H ATOM 23 N ARG A 22 7.622 3.121 17.050 1.00 19.59 N ATOM 24 CA ARG A 22 8.514 2.100 17.570 1.00 16.93 C ATOM 25 C ARG A 22 7.872 0.744 17.312 1.00 17.20 C ATOM 26 O ARG A 22 6.647 0.614 17.353 1.00 19.93 O ATOM 27 CB ARG A 22 8.777 2.304 19.062 1.00 22.58 C ATOM 28 CG ARG A 22 7.551 2.190 19.937 1.00 23.28 C ATOM 29 CD ARG A 22 7.824 2.653 21.358 1.00 31.47 C ATOM 30 NE ARG A 22 6.735 2.267 22.248 1.00 33.52 N ATOM 31 CZ ARG A 22 6.362 2.955 23.320 1.00 38.28 C ATOM 32 NH1 ARG A 22 6.983 4.084 23.641 1.00 34.63 N ATOM 33 NH2 ARG A 22 5.357 2.517 24.062 1.00 35.11 N ATOM 34 HE ARG A 22 6.215 1.393 22.028 1.00 0.00 H ATOM 35 HH12 ARG A 22 6.687 4.619 24.482 1.00 0.00 H ATOM 36 HH11 ARG A 22 7.765 4.433 23.051 1.00 0.00 H ATOM 37 HH22 ARG A 22 5.060 3.052 24.903 1.00 0.00 H ATOM 38 HH21 ARG A 22 4.864 1.638 23.804 1.00 0.00 H ATOM 39 H ARG A 22 6.684 3.254 17.479 1.00 0.00 H ATOM 40 N LEU A 23 8.693 -0.261 17.037 1.00 13.73 N ATOM 41 CA LEU A 23 8.152 -1.584 16.733 1.00 13.64 C ATOM 42 C LEU A 23 8.352 -2.539 17.911 1.00 15.39 C ATOM 43 O LEU A 23 9.462 -3.019 18.162 1.00 15.51 O ATOM 44 CB LEU A 23 8.760 -2.148 15.443 1.00 14.03 C ATOM 45 CG LEU A 23 8.251 -1.612 14.103 1.00 17.20 C ATOM 46 CD1 LEU A 23 9.047 -2.205 12.945 1.00 17.74 C ATOM 47 CD2 LEU A 23 6.773 -1.874 13.926 1.00 19.30 C ATOM 48 H LEU A 23 9.722 -0.107 17.038 1.00 0.00 H ATOM 49 N TYR A 24 7.267 -2.794 18.638 1.00 14.61 N ATOM 50 CA TYR A 24 7.282 -3.663 19.813 1.00 18.25 C ATOM 51 C TYR A 24 7.172 -5.121 19.390 1.00 17.19 C ATOM 52 O TYR A 24 6.161 -5.529 18.814 1.00 16.88 O ATOM 53 CB TYR A 24 6.104 -3.309 20.725 1.00 18.61 C ATOM 54 CG TYR A 24 5.892 -4.253 21.897 1.00 20.39 C ATOM 55 CD1 TYR A 24 6.498 -4.014 23.120 1.00 25.86 C ATOM 56 CD2 TYR A 24 5.067 -5.366 21.780 1.00 23.30 C ATOM 57 CE1 TYR A 24 6.303 -4.859 24.195 1.00 22.85 C ATOM 58 CE2 TYR A 24 4.866 -6.227 22.847 1.00 22.78 C ATOM 59 CZ TYR A 24 5.486 -5.966 24.054 1.00 24.54 C ATOM 60 OH TYR A 24 5.291 -6.816 25.119 1.00 29.99 O ATOM 61 HH TYR A 24 5.802 -6.487 25.900 1.00 0.00 H ATOM 62 H TYR A 24 6.367 -2.355 18.357 1.00 0.00 H ATOM 63 N CYS A 25 8.201 -5.908 19.681 1.00 14.16 N ATOM 64 CA CYS A 25 8.188 -7.329 19.314 1.00 13.31 C ATOM 65 C CYS A 25 7.516 -8.163 20.390 1.00 15.53 C ATOM 66 O CYS A 25 7.850 -8.058 21.580 1.00 16.68 O ATOM 67 CB CYS A 25 9.614 -7.824 19.073 1.00 13.47 C ATOM 68 SG CYS A 25 9.717 -9.506 18.452 1.00 14.44 S ATOM 69 H CYS A 25 9.026 -5.513 20.175 1.00 0.00 H ATOM 70 N LYS A 26 6.580 -9.011 19.977 1.00 14.35 N ATOM 71 CA LYS A 26 5.877 -9.877 20.917 1.00 15.24 C ATOM 72 C LYS A 26 6.862 -10.804 21.630 1.00 17.76 C ATOM 73 O LYS A 26 6.637 -11.212 22.770 1.00 19.22 O ATOM 74 CB LYS A 26 4.797 -10.686 20.186 1.00 17.70 C ATOM 75 CG LYS A 26 3.791 -11.355 21.114 1.00 20.76 C ATOM 76 CD LYS A 26 2.723 -12.125 20.338 1.00 22.61 C ATOM 77 CE LYS A 26 1.698 -12.744 21.289 1.00 30.98 C ATOM 78 NZ LYS A 26 1.112 -11.720 22.204 1.00 36.05 N ATOM 79 HZ1 LYS A 26 1.870 -11.289 22.771 1.00 0.00 H ATOM 80 HZ2 LYS A 26 0.638 -10.985 21.641 1.00 0.00 H ATOM 81 HZ3 LYS A 26 0.421 -12.175 22.835 1.00 0.00 H ATOM 82 H LYS A 26 6.344 -9.058 18.965 1.00 0.00 H ATOM 83 N ASN A 27 7.970 -11.110 20.964 1.00 15.11 N ATOM 84 CA ASN A 27 8.963 -12.016 21.514 1.00 14.94 C ATOM 85 C ASN A 27 9.850 -11.274 22.499 1.00 17.32 C ATOM 86 O ASN A 27 10.866 -10.706 22.106 1.00 22.93 O ATOM 87 CB ASN A 27 9.816 -12.597 20.388 1.00 15.82 C ATOM 88 CG ASN A 27 10.399 -13.950 20.735 1.00 16.77 C ATOM 89 OD1 ASN A 27 9.859 -14.676 21.577 1.00 21.19 O ATOM 90 ND2 ASN A 27 11.497 -14.307 20.084 1.00 14.19 N ATOM 91 HD22 ASN A 27 11.918 -13.664 19.383 1.00 0.00 H ATOM 92 HD21 ASN A 27 11.937 -15.230 20.274 1.00 0.00 H ATOM 93 H ASN A 27 8.130 -10.691 20.026 1.00 0.00 H ATOM 94 N GLY A 28 9.445 -11.236 23.764 1.00 16.15 N ATOM 95 CA GLY A 28 10.262 -10.619 24.799 1.00 19.57 C ATOM 96 C GLY A 28 9.984 -9.152 25.088 1.00 19.22 C ATOM 97 O GLY A 28 10.517 -8.596 26.050 1.00 20.79 O ATOM 98 H GLY A 28 8.528 -11.655 24.019 1.00 0.00 H ATOM 99 N GLY A 29 9.163 -8.514 24.260 1.00 16.37 N ATOM 100 CA GLY A 29 8.847 -7.110 24.459 1.00 17.77 C ATOM 101 C GLY A 29 9.951 -6.160 24.045 1.00 18.50 C ATOM 102 O GLY A 29 9.995 -5.012 24.493 1.00 22.34 O ATOM 103 H GLY A 29 8.741 -9.027 23.459 1.00 0.00 H ATOM 104 N PHE A 30 10.844 -6.627 23.183 1.00 15.32 N ATOM 105 CA PHE A 30 11.920 -5.777 22.679 1.00 14.03 C ATOM 106 C PHE A 30 11.434 -4.857 21.574 1.00 15.84 C ATOM 107 O PHE A 30 10.649 -5.260 20.717 1.00 17.18 O ATOM 108 CB PHE A 30 13.064 -6.629 22.132 1.00 15.74 C ATOM 109 CG PHE A 30 13.720 -7.486 23.167 1.00 17.11 C ATOM 110 CD1 PHE A 30 13.398 -8.832 23.289 1.00 21.38 C ATOM 111 CD2 PHE A 30 14.663 -6.943 24.025 1.00 20.40 C ATOM 112 CE1 PHE A 30 14.009 -9.619 24.252 1.00 21.17 C ATOM 113 CE2 PHE A 30 15.273 -7.721 24.988 1.00 22.22 C ATOM 114 CZ PHE A 30 14.953 -9.060 25.101 1.00 21.67 C ATOM 115 H PHE A 30 10.777 -7.614 22.861 1.00 0.00 H ATOM 116 N PHE A 31 11.905 -3.618 21.588 1.00 13.64 N ATOM 117 CA PHE A 31 11.674 -2.715 20.467 1.00 15.17 C ATOM 118 C PHE A 31 12.808 -2.886 19.480 1.00 13.14 C ATOM 119 O PHE A 31 13.963 -3.005 19.876 1.00 16.68 O ATOM 120 CB PHE A 31 11.622 -1.260 20.941 1.00 16.78 C ATOM 121 CG PHE A 31 10.522 -0.987 21.924 1.00 18.86 C ATOM 122 CD1 PHE A 31 9.210 -0.861 21.498 1.00 20.78 C ATOM 123 CD2 PHE A 31 10.802 -0.860 23.279 1.00 19.36 C ATOM 124 CE1 PHE A 31 8.191 -0.621 22.410 1.00 25.11 C ATOM 125 CE2 PHE A 31 9.792 -0.613 24.191 1.00 22.57 C ATOM 126 CZ PHE A 31 8.485 -0.494 23.757 1.00 27.80 C ATOM 127 H PHE A 31 12.447 -3.285 22.411 1.00 0.00 H ATOM 128 N LEU A 32 12.480 -2.892 18.191 1.00 12.21 N ATOM 129 CA LEU A 32 13.500 -2.944 17.148 1.00 12.27 C ATOM 130 C LEU A 32 14.369 -1.687 17.201 1.00 14.24 C ATOM 131 O LEU A 32 13.864 -0.564 17.225 1.00 15.07 O ATOM 132 CB LEU A 32 12.844 -3.101 15.772 1.00 11.95 C ATOM 133 CG LEU A 32 13.798 -3.369 14.612 1.00 12.51 C ATOM 134 CD1 LEU A 32 14.461 -4.735 14.772 1.00 14.07 C ATOM 135 CD2 LEU A 32 13.060 -3.294 13.271 1.00 13.47 C ATOM 136 H LEU A 32 11.476 -2.859 17.921 1.00 0.00 H ATOM 137 N ARG A 33 15.680 -1.890 17.251 1.00 13.11 N ATOM 138 CA ARG A 33 16.616 -0.785 17.390 1.00 13.83 C ATOM 139 C ARG A 33 17.576 -0.759 16.220 1.00 12.67 C ATOM 140 O ARG A 33 18.123 -1.799 15.819 1.00 12.85 O ATOM 141 CB ARG A 33 17.396 -0.943 18.691 1.00 15.51 C ATOM 142 CG ARG A 33 18.470 0.121 18.889 1.00 14.98 C ATOM 143 CD ARG A 33 18.925 0.204 20.334 1.00 15.25 C ATOM 144 NE ARG A 33 19.632 -0.991 20.774 1.00 15.79 N ATOM 145 CZ ARG A 33 20.309 -1.060 21.919 1.00 22.36 C ATOM 146 NH1 ARG A 33 20.358 -0.005 22.719 1.00 23.33 N ATOM 147 NH2 ARG A 33 20.925 -2.179 22.266 1.00 22.68 N ATOM 148 HE ARG A 33 19.607 -1.833 20.164 1.00 0.00 H ATOM 149 HH12 ARG A 33 20.886 -0.055 23.614 1.00 0.00 H ATOM 150 HH11 ARG A 33 19.869 0.873 22.452 1.00 0.00 H ATOM 151 HH22 ARG A 33 21.452 -2.226 23.161 1.00 0.00 H ATOM 152 HH21 ARG A 33 20.882 -3.011 21.643 1.00 0.00 H ATOM 153 H ARG A 33 16.046 -2.861 17.189 1.00 0.00 H ATOM 154 N ILE A 34 17.771 0.432 15.659 1.00 15.30 N ATOM 155 CA ILE A 34 18.748 0.616 14.603 1.00 14.42 C ATOM 156 C ILE A 34 19.835 1.565 15.085 1.00 15.57 C ATOM 157 O ILE A 34 19.582 2.744 15.316 1.00 16.18 O ATOM 158 CB ILE A 34 18.097 1.149 13.323 1.00 13.45 C ATOM 159 CG1 ILE A 34 17.108 0.110 12.779 1.00 16.42 C ATOM 160 CG2 ILE A 34 19.162 1.466 12.302 1.00 16.07 C ATOM 161 CD1 ILE A 34 16.363 0.556 11.544 1.00 16.99 C ATOM 162 H ILE A 34 17.212 1.247 15.984 1.00 0.00 H ATOM 163 N HIS A 35 21.034 1.029 15.265 1.00 14.97 N ATOM 164 CA HIS A 35 22.170 1.814 15.744 1.00 18.21 C ATOM 165 C HIS A 35 22.669 2.743 14.638 1.00 16.73 C ATOM 166 O HIS A 35 22.549 2.419 13.457 1.00 15.91 O ATOM 167 CB HIS A 35 23.306 0.884 16.167 1.00 15.31 C ATOM 168 CG HIS A 35 23.031 0.098 17.413 1.00 18.22 C ATOM 169 ND1 HIS A 35 23.391 0.541 18.672 1.00 22.93 N ATOM 170 CD2 HIS A 35 22.452 -1.111 17.595 1.00 17.85 C ATOM 171 CE1 HIS A 35 23.038 -0.359 19.571 1.00 22.25 C ATOM 172 NE2 HIS A 35 22.474 -1.379 18.943 1.00 19.37 N ATOM 173 H HIS A 35 21.171 0.019 15.059 1.00 0.00 H ATOM 174 N PRO A 36 23.252 3.901 15.017 1.00 18.92 N ATOM 175 CA PRO A 36 23.825 4.814 14.024 1.00 18.35 C ATOM 176 C PRO A 36 24.835 4.115 13.113 1.00 16.91 C ATOM 177 O PRO A 36 24.958 4.533 11.963 1.00 19.58 O ATOM 178 CB PRO A 36 24.516 5.884 14.881 1.00 20.43 C ATOM 179 CG PRO A 36 23.727 5.904 16.157 1.00 24.18 C ATOM 180 CD PRO A 36 23.292 4.459 16.380 1.00 19.70 C ATOM 181 N ASP A 37 25.517 3.073 13.593 1.00 18.38 N ATOM 182 CA ASP A 37 26.518 2.384 12.770 1.00 19.10 C ATOM 183 C ASP A 37 25.949 1.279 11.868 1.00 19.91 C ATOM 184 O ASP A 37 26.682 0.655 11.092 1.00 21.41 O ATOM 185 CB ASP A 37 27.679 1.845 13.627 1.00 21.43 C ATOM 186 CG ASP A 37 27.266 0.703 14.554 1.00 21.16 C ATOM 187 OD1 ASP A 37 26.114 0.227 14.483 1.00 19.57 O ATOM 188 OD2 ASP A 37 28.117 0.261 15.361 1.00 24.47 O ATOM 189 H ASP A 37 25.337 2.745 14.563 1.00 0.00 H ATOM 190 N GLY A 38 24.649 1.029 11.988 1.00 16.99 N ATOM 191 CA GLY A 38 23.982 0.061 11.132 1.00 17.06 C ATOM 192 C GLY A 38 23.617 -1.257 11.792 1.00 18.43 C ATOM 193 O GLY A 38 22.926 -2.085 11.196 1.00 17.41 O ATOM 194 H GLY A 38 24.097 1.536 12.709 1.00 0.00 H ATOM 195 N ARG A 39 24.092 -1.475 13.014 1.00 16.80 N ATOM 196 CA ARG A 39 23.741 -2.698 13.729 1.00 16.00 C ATOM 197 C ARG A 39 22.276 -2.690 14.096 1.00 15.37 C ATOM 198 O ARG A 39 21.718 -1.648 14.441 1.00 15.00 O ATOM 199 CB ARG A 39 24.578 -2.861 14.995 1.00 16.38 C ATOM 200 CG ARG A 39 25.991 -3.352 14.732 1.00 16.66 C ATOM 201 CD ARG A 39 26.921 -3.245 15.933 1.00 20.60 C ATOM 202 NE ARG A 39 28.168 -3.955 15.661 1.00 21.34 N ATOM 203 CZ ARG A 39 29.163 -3.477 14.919 1.00 17.85 C ATOM 204 NH1 ARG A 39 30.248 -4.211 14.715 1.00 16.48 N ATOM 205 NH2 ARG A 39 29.074 -2.269 14.371 1.00 20.77 N ATOM 206 HE ARG A 39 28.286 -4.901 16.077 1.00 0.00 H ATOM 207 HH12 ARG A 39 31.027 -3.838 14.135 1.00 0.00 H ATOM 208 HH11 ARG A 39 30.321 -5.160 15.135 1.00 0.00 H ATOM 209 HH22 ARG A 39 29.856 -1.902 13.792 1.00 0.00 H ATOM 210 HH21 ARG A 39 28.222 -1.691 14.521 1.00 0.00 H ATOM 211 H ARG A 39 24.715 -0.773 13.462 1.00 0.00 H ATOM 212 N VAL A 40 21.659 -3.861 14.005 1.00 14.40 N ATOM 213 CA VAL A 40 20.258 -4.017 14.378 1.00 14.19 C ATOM 214 C VAL A 40 20.132 -4.997 15.544 1.00 15.01 C ATOM 215 O VAL A 40 20.783 -6.039 15.560 1.00 14.22 O ATOM 216 CB VAL A 40 19.417 -4.461 13.172 1.00 14.04 C ATOM 217 CG1 VAL A 40 17.954 -4.687 13.582 1.00 15.70 C ATOM 218 CG2 VAL A 40 19.527 -3.415 12.065 1.00 12.95 C ATOM 219 H VAL A 40 22.187 -4.687 13.659 1.00 0.00 H ATOM 220 N ASP A 41 19.315 -4.642 16.529 1.00 12.34 N ATOM 221 CA ASP A 41 19.032 -5.513 17.670 1.00 11.09 C ATOM 222 C ASP A 41 17.723 -5.084 18.313 1.00 12.85 C ATOM 223 O ASP A 41 16.924 -4.377 17.691 1.00 15.76 O ATOM 224 CB ASP A 41 20.196 -5.518 18.679 1.00 15.32 C ATOM 225 CG ASP A 41 20.554 -4.137 19.177 1.00 16.81 C ATOM 226 OD1 ASP A 41 19.698 -3.232 19.138 1.00 15.95 O ATOM 227 OD2 ASP A 41 21.704 -3.961 19.639 1.00 21.08 O ATOM 228 H ASP A 41 18.859 -3.708 16.488 1.00 0.00 H ATOM 229 N GLY A 42 17.482 -5.535 19.536 1.00 13.31 N ATOM 230 CA GLY A 42 16.295 -5.130 20.257 1.00 14.86 C ATOM 231 C GLY A 42 16.647 -4.680 21.661 1.00 16.24 C ATOM 232 O GLY A 42 17.615 -5.171 22.255 1.00 21.00 O ATOM 233 H GLY A 42 18.156 -6.189 19.983 1.00 0.00 H ATOM 234 N VAL A 43 15.859 -3.744 22.185 1.00 15.37 N ATOM 235 CA VAL A 43 16.032 -3.229 23.543 1.00 16.31 C ATOM 236 C VAL A 43 14.655 -2.974 24.172 1.00 17.78 C ATOM 237 O VAL A 43 13.707 -2.640 23.469 1.00 15.80 O ATOM 238 CB VAL A 43 16.902 -1.932 23.545 1.00 18.14 C ATOM 239 CG1 VAL A 43 16.165 -0.759 22.904 1.00 16.67 C ATOM 240 CG2 VAL A 43 17.353 -1.583 24.948 1.00 25.33 C ATOM 241 H VAL A 43 15.086 -3.362 21.603 1.00 0.00 H ATOM 242 N ARG A 44 14.532 -3.134 25.488 1.00 17.62 N ATOM 243 CA ARG A 44 13.234 -2.921 26.141 1.00 17.56 C ATOM 244 C ARG A 44 12.979 -1.471 26.577 1.00 20.92 C ATOM 245 O ARG A 44 11.868 -1.110 26.982 1.00 22.32 O ATOM 246 CB ARG A 44 13.059 -3.878 27.324 1.00 22.25 C ATOM 247 CG ARG A 44 12.986 -5.338 26.925 1.00 26.39 C ATOM 248 CD ARG A 44 12.404 -6.175 28.051 1.00 25.68 C ATOM 249 NE ARG A 44 12.386 -7.592 27.716 1.00 30.38 N ATOM 250 CZ ARG A 44 13.292 -8.475 28.126 1.00 34.30 C ATOM 251 NH1 ARG A 44 14.301 -8.092 28.903 1.00 33.06 N ATOM 252 NH2 ARG A 44 13.181 -9.746 27.764 1.00 34.00 N ATOM 253 HE ARG A 44 11.611 -7.937 27.115 1.00 0.00 H ATOM 254 HH12 ARG A 44 15.006 -8.788 29.220 1.00 0.00 H ATOM 255 HH11 ARG A 44 14.385 -7.097 29.193 1.00 0.00 H ATOM 256 HH22 ARG A 44 13.887 -10.441 28.082 1.00 0.00 H ATOM 257 HH21 ARG A 44 12.388 -10.048 27.162 1.00 0.00 H ATOM 258 H ARG A 44 15.358 -3.411 26.056 1.00 0.00 H ATOM 259 N GLU A 45 14.001 -0.634 26.468 1.00 20.03 N ATOM 260 CA GLU A 45 13.896 0.761 26.891 1.00 21.45 C ATOM 261 C GLU A 45 13.128 1.632 25.897 1.00 18.08 C ATOM 262 O GLU A 45 13.623 1.894 24.796 1.00 18.47 O ATOM 263 CB GLU A 45 15.300 1.341 27.073 1.00 20.54 C ATOM 264 CG GLU A 45 16.280 0.382 27.731 1.00 22.02 C ATOM 265 CD GLU A 45 15.962 0.157 29.184 1.00 25.56 C ATOM 266 OE1 GLU A 45 15.161 0.946 29.734 1.00 27.07 O ATOM 267 OE2 GLU A 45 16.502 -0.806 29.775 1.00 26.84 O ATOM 268 H GLU A 45 14.899 -0.978 26.072 1.00 0.00 H ATOM 269 N LYS A 46 11.950 2.119 26.293 1.00 19.95 N ATOM 270 CA LYS A 46 11.154 2.985 25.413 1.00 24.78 C ATOM 271 C LYS A 46 11.812 4.346 25.178 1.00 25.22 C ATOM 272 O LYS A 46 11.447 5.068 24.247 1.00 25.09 O ATOM 273 CB LYS A 46 9.713 3.164 25.920 1.00 29.68 C ATOM 274 CG LYS A 46 9.545 4.035 27.159 1.00 31.87 C ATOM 275 CD LYS A 46 8.052 4.294 27.447 1.00 38.40 C ATOM 276 CE LYS A 46 7.810 4.830 28.861 1.00 40.69 C ATOM 277 NZ LYS A 46 6.465 5.467 29.019 1.00 42.09 N ATOM 278 HZ1 LYS A 46 6.381 6.265 28.358 1.00 0.00 H ATOM 279 HZ2 LYS A 46 5.725 4.766 28.814 1.00 0.00 H ATOM 280 HZ3 LYS A 46 6.358 5.811 29.995 1.00 0.00 H ATOM 281 H LYS A 46 11.590 1.882 27.239 1.00 0.00 H ATOM 282 N SER A 47 12.783 4.679 26.022 1.00 23.43 N ATOM 283 CA SER A 47 13.479 5.965 25.965 1.00 24.27 C ATOM 284 C SER A 47 14.690 5.952 25.032 1.00 21.90 C ATOM 285 O SER A 47 15.290 6.998 24.779 1.00 20.52 O ATOM 286 CB SER A 47 13.951 6.359 27.368 1.00 23.67 C ATOM 287 OG SER A 47 14.881 5.407 27.859 1.00 23.51 O ATOM 288 HG SER A 47 14.450 4.517 27.900 1.00 0.00 H ATOM 289 H SER A 47 13.060 3.996 26.755 1.00 0.00 H ATOM 290 N ASP A 48 15.061 4.775 24.537 1.00 18.79 N ATOM 291 CA ASP A 48 16.238 4.639 23.679 1.00 20.02 C ATOM 292 C ASP A 48 16.049 5.456 22.405 1.00 22.96 C ATOM 293 O ASP A 48 15.033 5.337 21.737 1.00 19.93 O ATOM 294 CB ASP A 48 16.474 3.161 23.346 1.00 20.00 C ATOM 295 CG ASP A 48 17.801 2.914 22.651 1.00 20.52 C ATOM 296 OD1 ASP A 48 17.990 3.406 21.522 1.00 25.41 O ATOM 297 OD2 ASP A 48 18.650 2.200 23.216 1.00 19.04 O ATOM 298 H ASP A 48 14.500 3.930 24.766 1.00 0.00 H ATOM 299 N PRO A 49 17.028 6.306 22.065 1.00 20.36 N ATOM 300 CA PRO A 49 16.805 7.167 20.900 1.00 21.54 C ATOM 301 C PRO A 49 16.772 6.388 19.580 1.00 20.51 C ATOM 302 O PRO A 49 16.187 6.861 18.600 1.00 22.57 O ATOM 303 CB PRO A 49 18.007 8.125 20.944 1.00 23.91 C ATOM 304 CG PRO A 49 19.071 7.369 21.668 1.00 24.22 C ATOM 305 CD PRO A 49 18.348 6.523 22.687 1.00 25.16 C ATOM 306 N HIS A 50 17.357 5.193 19.570 1.00 18.56 N ATOM 307 CA HIS A 50 17.592 4.472 18.329 1.00 20.11 C ATOM 308 C HIS A 50 16.453 3.518 17.979 1.00 16.40 C ATOM 309 O HIS A 50 16.577 2.710 17.057 1.00 16.79 O ATOM 310 CB HIS A 50 18.913 3.703 18.414 1.00 16.22 C ATOM 311 CG HIS A 50 20.089 4.550 18.799 1.00 20.65 C ATOM 312 ND1 HIS A 50 20.254 5.849 18.367 1.00 26.63 N ATOM 313 CD2 HIS A 50 21.165 4.274 19.573 1.00 24.43 C ATOM 314 CE1 HIS A 50 21.376 6.337 18.864 1.00 21.14 C ATOM 315 NE2 HIS A 50 21.949 5.399 19.599 1.00 26.20 N ATOM 316 H HIS A 50 17.653 4.765 20.470 1.00 0.00 H ATOM 317 N ILE A 51 15.345 3.617 18.706 1.00 17.43 N ATOM 318 CA ILE A 51 14.178 2.792 18.395 1.00 14.67 C ATOM 319 C ILE A 51 13.082 3.560 17.664 1.00 17.78 C ATOM 320 O ILE A 51 12.070 2.979 17.271 1.00 18.77 O ATOM 321 CB ILE A 51 13.579 2.084 19.650 1.00 16.62 C ATOM 322 CG1 ILE A 51 12.977 3.098 20.632 1.00 18.17 C ATOM 323 CG2 ILE A 51 14.602 1.163 20.301 1.00 17.68 C ATOM 324 CD1 ILE A 51 12.032 2.467 21.654 1.00 20.80 C ATOM 325 H ILE A 51 15.307 4.286 19.502 1.00 0.00 H ATOM 326 N LYS A 52 13.273 4.866 17.483 1.00 18.05 N ATOM 327 CA LYS A 52 12.319 5.664 16.724 1.00 17.43 C ATOM 328 C LYS A 52 12.502 5.383 15.236 1.00 16.35 C ATOM 329 O LYS A 52 13.594 5.568 14.686 1.00 15.67 O ATOM 330 CB LYS A 52 12.526 7.163 17.009 1.00 17.89 C ATOM 331 CG LYS A 52 12.248 7.557 18.461 1.00 24.51 C ATOM 332 CD LYS A 52 12.518 9.046 18.710 1.00 29.50 C ATOM 333 CE LYS A 52 11.604 9.952 17.894 1.00 36.01 C ATOM 334 NZ LYS A 52 11.905 11.402 18.145 1.00 36.49 N ATOM 335 HZ1 LYS A 52 11.766 11.614 19.154 1.00 0.00 H ATOM 336 HZ2 LYS A 52 12.891 11.601 17.880 1.00 0.00 H ATOM 337 HZ3 LYS A 52 11.266 11.991 17.575 1.00 0.00 H ATOM 338 H LYS A 52 14.115 5.322 17.889 1.00 0.00 H ATOM 339 N LEU A 53 11.440 4.906 14.594 1.00 17.76 N ATOM 340 CA LEU A 53 11.505 4.515 13.194 1.00 16.30 C ATOM 341 C LEU A 53 10.543 5.312 12.322 1.00 17.30 C ATOM 342 O LEU A 53 9.493 5.764 12.785 1.00 22.60 O ATOM 343 CB LEU A 53 11.181 3.026 13.061 1.00 19.10 C ATOM 344 CG LEU A 53 11.937 2.092 14.000 1.00 16.07 C ATOM 345 CD1 LEU A 53 11.326 0.686 13.938 1.00 16.56 C ATOM 346 CD2 LEU A 53 13.422 2.040 13.669 1.00 17.24 C ATOM 347 H LEU A 53 10.540 4.810 15.106 1.00 0.00 H ATOM 348 N GLN A 54 10.911 5.486 11.059 1.00 16.03 N ATOM 349 CA GLN A 54 9.988 6.007 10.061 1.00 19.78 C ATOM 350 C GLN A 54 9.621 4.882 9.107 1.00 17.12 C ATOM 351 O GLN A 54 10.484 4.348 8.407 1.00 18.87 O ATOM 352 CB GLN A 54 10.614 7.173 9.292 1.00 20.27 C ATOM 353 CG GLN A 54 10.842 8.439 10.121 1.00 21.55 C ATOM 354 CD GLN A 54 9.553 9.181 10.446 1.00 28.59 C ATOM 355 OE1 GLN A 54 8.465 8.750 10.065 1.00 28.60 O ATOM 356 NE2 GLN A 54 9.673 10.312 11.140 1.00 27.25 N ATOM 357 HE22 GLN A 54 10.613 10.639 11.442 1.00 0.00 H ATOM 358 HE21 GLN A 54 8.827 10.867 11.380 1.00 0.00 H ATOM 359 H GLN A 54 11.882 5.244 10.775 1.00 0.00 H ATOM 360 N LEU A 55 8.347 4.507 9.098 1.00 17.62 N ATOM 361 CA LEU A 55 7.855 3.489 8.173 1.00 20.87 C ATOM 362 C LEU A 55 7.235 4.202 6.982 1.00 22.36 C ATOM 363 O LEU A 55 6.235 4.898 7.130 1.00 25.19 O ATOM 364 CB LEU A 55 6.816 2.593 8.851 1.00 20.33 C ATOM 365 CG LEU A 55 7.325 1.438 9.729 1.00 23.01 C ATOM 366 CD1 LEU A 55 8.005 1.936 10.984 1.00 25.47 C ATOM 367 CD2 LEU A 55 6.199 0.484 10.086 1.00 28.01 C ATOM 368 H LEU A 55 7.683 4.949 9.766 1.00 0.00 H ATOM 369 N GLN A 56 7.841 4.050 5.810 1.00 17.76 N ATOM 370 CA GLN A 56 7.401 4.795 4.636 1.00 22.09 C ATOM 371 C GLN A 56 6.857 3.835 3.589 1.00 23.70 C ATOM 372 O GLN A 56 7.508 2.858 3.233 1.00 21.62 O ATOM 373 CB GLN A 56 8.548 5.645 4.087 1.00 26.59 C ATOM 374 CG GLN A 56 9.268 6.420 5.193 1.00 28.83 C ATOM 375 CD GLN A 56 10.293 7.407 4.678 1.00 31.79 C ATOM 376 OE1 GLN A 56 9.947 8.394 4.030 1.00 38.00 O ATOM 377 NE2 GLN A 56 11.562 7.154 4.973 1.00 27.12 N ATOM 378 HE22 GLN A 56 11.809 6.307 5.524 1.00 0.00 H ATOM 379 HE21 GLN A 56 12.309 7.803 4.654 1.00 0.00 H ATOM 380 H GLN A 56 8.641 3.390 5.728 1.00 0.00 H ATOM 381 N ALA A 57 5.648 4.110 3.109 1.00 25.31 N ATOM 382 CA ALA A 57 4.998 3.219 2.151 1.00 25.69 C ATOM 383 C ALA A 57 5.567 3.418 0.753 1.00 25.32 C ATOM 384 O ALA A 57 5.649 4.544 0.268 1.00 29.74 O ATOM 385 CB ALA A 57 3.500 3.437 2.156 1.00 28.34 C ATOM 386 H ALA A 57 5.158 4.973 3.420 1.00 0.00 H ATOM 387 N GLU A 58 5.957 2.322 0.110 1.00 22.00 N ATOM 388 CA GLU A 58 6.521 2.369 -1.237 1.00 24.49 C ATOM 389 C GLU A 58 5.405 2.116 -2.246 1.00 27.33 C ATOM 390 O GLU A 58 5.325 2.758 -3.297 1.00 32.34 O ATOM 391 CB GLU A 58 7.632 1.325 -1.363 1.00 26.95 C ATOM 392 CG GLU A 58 8.486 1.460 -2.606 1.00 28.69 C ATOM 393 CD GLU A 58 7.906 0.714 -3.787 1.00 27.63 C ATOM 394 OE1 GLU A 58 8.153 1.147 -4.933 1.00 26.57 O ATOM 395 OE2 GLU A 58 7.217 -0.308 -3.568 1.00 29.91 O ATOM 396 H GLU A 58 5.857 1.400 0.581 1.00 0.00 H ATOM 397 N GLU A 59 4.557 1.150 -1.916 1.00 26.55 N ATOM 398 CA GLU A 59 3.240 1.011 -2.517 1.00 27.60 C ATOM 399 C GLU A 59 2.382 0.378 -1.433 1.00 29.38 C ATOM 400 O GLU A 59 2.867 0.156 -0.320 1.00 21.42 O ATOM 401 CB GLU A 59 3.272 0.159 -3.790 1.00 29.93 C ATOM 402 CG GLU A 59 3.804 -1.246 -3.614 1.00 31.11 C ATOM 403 CD GLU A 59 3.271 -2.197 -4.669 1.00 31.92 C ATOM 404 OE1 GLU A 59 2.075 -2.083 -5.016 1.00 41.47 O ATOM 405 OE2 GLU A 59 4.043 -3.060 -5.140 1.00 36.74 O ATOM 406 H GLU A 59 4.848 0.460 -1.194 1.00 0.00 H ATOM 407 N ARG A 60 1.121 0.090 -1.727 1.00 28.63 N ATOM 408 CA ARG A 60 0.253 -0.483 -0.706 1.00 25.24 C ATOM 409 C ARG A 60 0.806 -1.816 -0.214 1.00 23.64 C ATOM 410 O ARG A 60 1.089 -2.708 -1.010 1.00 25.52 O ATOM 411 CB ARG A 60 -1.178 -0.661 -1.219 1.00 32.86 C ATOM 412 CG ARG A 60 -2.186 -0.884 -0.096 1.00 36.76 C ATOM 413 CD ARG A 60 -3.588 -1.182 -0.613 1.00 43.13 C ATOM 414 NE ARG A 60 -4.611 -0.535 0.208 1.00 45.42 N ATOM 415 CZ ARG A 60 -5.886 -0.913 0.263 1.00 41.81 C ATOM 416 NH1 ARG A 60 -6.307 -1.950 -0.445 1.00 42.03 N ATOM 417 NH2 ARG A 60 -6.740 -0.257 1.037 1.00 38.71 N ATOM 418 HE ARG A 60 -4.322 0.277 0.790 1.00 0.00 H ATOM 419 HH12 ARG A 60 -7.304 -2.241 -0.398 1.00 0.00 H ATOM 420 HH11 ARG A 60 -5.640 -2.473 -1.048 1.00 0.00 H ATOM 421 HH22 ARG A 60 -7.736 -0.553 1.080 1.00 0.00 H ATOM 422 HH21 ARG A 60 -6.414 0.553 1.601 1.00 0.00 H ATOM 423 H ARG A 60 0.753 0.272 -2.682 1.00 0.00 H ATOM 424 N GLY A 61 1.003 -1.924 1.094 1.00 26.64 N ATOM 425 CA GLY A 61 1.480 -3.161 1.685 1.00 24.26 C ATOM 426 C GLY A 61 2.985 -3.346 1.637 1.00 21.26 C ATOM 427 O GLY A 61 3.489 -4.388 2.056 1.00 20.30 O ATOM 428 H GLY A 61 0.812 -1.106 1.708 1.00 0.00 H ATOM 429 N VAL A 62 3.708 -2.355 1.125 1.00 18.14 N ATOM 430 CA VAL A 62 5.163 -2.467 1.031 1.00 17.54 C ATOM 431 C VAL A 62 5.819 -1.271 1.710 1.00 17.13 C ATOM 432 O VAL A 62 5.504 -0.130 1.384 1.00 19.51 O ATOM 433 CB VAL A 62 5.631 -2.513 -0.441 1.00 19.80 C ATOM 434 CG1 VAL A 62 7.167 -2.588 -0.518 1.00 20.00 C ATOM 435 CG2 VAL A 62 4.996 -3.677 -1.171 1.00 23.19 C ATOM 436 H VAL A 62 3.235 -1.492 0.788 1.00 0.00 H ATOM 437 N VAL A 63 6.735 -1.522 2.643 1.00 14.51 N ATOM 438 CA VAL A 63 7.386 -0.422 3.361 1.00 17.05 C ATOM 439 C VAL A 63 8.911 -0.502 3.427 1.00 13.90 C ATOM 440 O VAL A 63 9.514 -1.569 3.283 1.00 14.10 O ATOM 441 CB VAL A 63 6.870 -0.303 4.820 1.00 16.01 C ATOM 442 CG1 VAL A 63 5.371 -0.057 4.843 1.00 19.48 C ATOM 443 CG2 VAL A 63 7.223 -1.565 5.629 1.00 16.64 C ATOM 444 H VAL A 63 6.991 -2.506 2.864 1.00 0.00 H ATOM 445 N SER A 64 9.521 0.660 3.636 1.00 15.59 N ATOM 446 CA SER A 64 10.900 0.741 4.092 1.00 16.03 C ATOM 447 C SER A 64 10.859 1.157 5.553 1.00 14.87 C ATOM 448 O SER A 64 9.880 1.756 6.013 1.00 17.29 O ATOM 449 CB SER A 64 11.702 1.747 3.267 1.00 17.09 C ATOM 450 OG SER A 64 11.154 3.055 3.359 1.00 19.29 O ATOM 451 HG SER A 64 11.162 3.349 4.304 1.00 0.00 H ATOM 452 H SER A 64 8.995 1.541 3.468 1.00 0.00 H ATOM 453 N ILE A 65 11.910 0.811 6.283 1.00 13.12 N ATOM 454 CA ILE A 65 11.971 1.053 7.718 1.00 14.20 C ATOM 455 C ILE A 65 13.262 1.810 8.004 1.00 14.33 C ATOM 456 O ILE A 65 14.354 1.249 7.902 1.00 17.56 O ATOM 457 CB ILE A 65 11.903 -0.267 8.523 1.00 15.02 C ATOM 458 CG1 ILE A 65 10.566 -0.970 8.285 1.00 14.42 C ATOM 459 CG2 ILE A 65 12.065 0.003 10.015 1.00 15.22 C ATOM 460 CD1 ILE A 65 10.513 -2.403 8.789 1.00 15.88 C ATOM 461 H ILE A 65 12.718 0.352 5.816 1.00 0.00 H ATOM 462 N LYS A 66 13.138 3.091 8.340 1.00 16.54 N ATOM 463 CA LYS A 66 14.310 3.932 8.562 1.00 17.19 C ATOM 464 C LYS A 66 14.502 4.256 10.036 1.00 14.45 C ATOM 465 O LYS A 66 13.549 4.636 10.715 1.00 15.62 O ATOM 466 CB LYS A 66 14.197 5.241 7.780 1.00 17.05 C ATOM 467 CG LYS A 66 15.490 6.064 7.803 1.00 19.55 C ATOM 468 CD LYS A 66 15.370 7.398 7.079 1.00 24.26 C ATOM 469 CE LYS A 66 14.470 8.342 7.825 1.00 28.63 C ATOM 470 NZ LYS A 66 14.377 9.661 7.118 1.00 31.95 N ATOM 471 HZ1 LYS A 66 15.325 10.084 7.050 1.00 0.00 H ATOM 472 HZ2 LYS A 66 13.992 9.515 6.163 1.00 0.00 H ATOM 473 HZ3 LYS A 66 13.750 10.296 7.652 1.00 0.00 H ATOM 474 H LYS A 66 12.188 3.501 8.447 1.00 0.00 H ATOM 475 N GLY A 67 15.730 4.115 10.525 1.00 14.36 N ATOM 476 CA GLY A 67 16.050 4.534 11.882 1.00 13.83 C ATOM 477 C GLY A 67 16.194 6.047 11.921 1.00 17.08 C ATOM 478 O GLY A 67 17.046 6.608 11.230 1.00 15.91 O ATOM 479 H GLY A 67 16.474 3.699 9.929 1.00 0.00 H ATOM 480 N VAL A 68 15.360 6.708 12.718 1.00 14.41 N ATOM 481 CA VAL A 68 15.368 8.177 12.766 1.00 14.45 C ATOM 482 C VAL A 68 16.727 8.764 13.190 1.00 18.90 C ATOM 483 O VAL A 68 17.199 9.741 12.590 1.00 18.21 O ATOM 484 CB VAL A 68 14.229 8.732 13.654 1.00 15.72 C ATOM 485 CG1 VAL A 68 14.363 10.252 13.816 1.00 15.71 C ATOM 486 CG2 VAL A 68 12.883 8.403 13.062 1.00 18.18 C ATOM 487 H VAL A 68 14.693 6.179 13.315 1.00 0.00 H ATOM 488 N SER A 69 17.353 8.173 14.206 1.00 17.22 N ATOM 489 CA SER A 69 18.654 8.650 14.695 1.00 17.26 C ATOM 490 C SER A 69 19.784 8.287 13.739 1.00 20.27 C ATOM 491 O SER A 69 20.746 9.026 13.598 1.00 18.43 O ATOM 492 CB SER A 69 18.965 8.074 16.086 1.00 17.82 C ATOM 493 OG SER A 69 19.356 6.703 16.018 1.00 27.23 O ATOM 494 HG SER A 69 18.623 6.171 15.618 1.00 0.00 H ATOM 495 H SER A 69 16.909 7.352 14.665 1.00 0.00 H ATOM 496 N ALA A 70 19.663 7.136 13.092 1.00 19.75 N ATOM 497 CA ALA A 70 20.752 6.554 12.313 1.00 16.55 C ATOM 498 C ALA A 70 20.817 7.033 10.867 1.00 19.10 C ATOM 499 O ALA A 70 21.884 6.978 10.244 1.00 21.07 O ATOM 500 CB ALA A 70 20.639 5.024 12.342 1.00 19.56 C ATOM 501 H ALA A 70 18.757 6.628 13.141 1.00 0.00 H ATOM 502 N ASN A 71 19.688 7.496 10.330 1.00 16.77 N ATOM 503 CA ASN A 71 19.576 7.765 8.894 1.00 15.67 C ATOM 504 C ASN A 71 20.010 6.565 8.086 1.00 18.26 C ATOM 505 O ASN A 71 20.764 6.685 7.121 1.00 21.33 O ATOM 506 CB ASN A 71 20.387 8.999 8.486 1.00 19.35 C ATOM 507 CG ASN A 71 19.544 10.227 8.409 1.00 18.10 C ATOM 508 OD1 ASN A 71 18.321 10.144 8.313 1.00 20.79 O ATOM 509 ND2 ASN A 71 20.186 11.389 8.437 1.00 21.57 N ATOM 510 HD22 ASN A 71 21.223 11.409 8.519 1.00 0.00 H ATOM 511 HD21 ASN A 71 19.652 12.280 8.377 1.00 0.00 H ATOM 512 H ASN A 71 18.867 7.670 10.945 1.00 0.00 H ATOM 513 N ARG A 72 19.527 5.402 8.511 1.00 17.33 N ATOM 514 CA ARG A 72 19.833 4.145 7.858 1.00 16.68 C ATOM 515 C ARG A 72 18.559 3.349 7.710 1.00 14.49 C ATOM 516 O ARG A 72 17.652 3.450 8.541 1.00 17.40 O ATOM 517 CB ARG A 72 20.842 3.334 8.667 1.00 15.49 C ATOM 518 CG ARG A 72 22.251 3.923 8.676 1.00 16.89 C ATOM 519 CD ARG A 72 23.160 3.039 9.498 1.00 17.02 C ATOM 520 NE ARG A 72 24.559 3.441 9.390 1.00 19.17 N ATOM 521 CZ ARG A 72 25.427 2.905 8.538 1.00 21.84 C ATOM 522 NH1 ARG A 72 25.050 1.930 7.725 1.00 23.46 N ATOM 523 NH2 ARG A 72 26.682 3.341 8.504 1.00 27.27 N ATOM 524 HE ARG A 72 24.898 4.195 10.020 1.00 0.00 H ATOM 525 HH12 ARG A 72 25.733 1.514 7.060 1.00 0.00 H ATOM 526 HH11 ARG A 72 24.071 1.580 7.751 1.00 0.00 H ATOM 527 HH22 ARG A 72 27.361 2.921 7.837 1.00 0.00 H ATOM 528 HH21 ARG A 72 26.986 4.102 9.144 1.00 0.00 H ATOM 529 H ARG A 72 18.905 5.394 9.345 1.00 0.00 H ATOM 530 N TYR A 73 18.500 2.563 6.645 1.00 15.44 N ATOM 531 CA TYR A 73 17.302 1.807 6.320 1.00 17.26 C ATOM 532 C TYR A 73 17.518 0.335 6.587 1.00 14.90 C ATOM 533 O TYR A 73 18.540 -0.233 6.193 1.00 14.33 O ATOM 534 CB TYR A 73 16.954 2.001 4.848 1.00 16.56 C ATOM 535 CG TYR A 73 16.628 3.427 4.498 1.00 20.08 C ATOM 536 CD1 TYR A 73 17.632 4.308 4.145 1.00 19.22 C ATOM 537 CD2 TYR A 73 15.320 3.894 4.537 1.00 17.76 C ATOM 538 CE1 TYR A 73 17.352 5.618 3.828 1.00 20.50 C ATOM 539 CE2 TYR A 73 15.023 5.213 4.220 1.00 19.32 C ATOM 540 CZ TYR A 73 16.054 6.067 3.876 1.00 20.92 C ATOM 541 OH TYR A 73 15.792 7.383 3.558 1.00 27.13 O ATOM 542 HH TYR A 73 15.363 7.829 4.331 1.00 0.00 H ATOM 543 H TYR A 73 19.332 2.485 6.026 1.00 0.00 H ATOM 544 N LEU A 74 16.542 -0.291 7.237 1.00 13.22 N ATOM 545 CA LEU A 74 16.624 -1.718 7.509 1.00 13.84 C ATOM 546 C LEU A 74 16.742 -2.509 6.206 1.00 14.42 C ATOM 547 O LEU A 74 16.015 -2.249 5.243 1.00 15.49 O ATOM 548 CB LEU A 74 15.391 -2.170 8.287 1.00 14.98 C ATOM 549 CG LEU A 74 15.450 -3.578 8.861 1.00 13.00 C ATOM 550 CD1 LEU A 74 16.528 -3.610 9.924 1.00 14.40 C ATOM 551 CD2 LEU A 74 14.106 -3.945 9.449 1.00 14.72 C ATOM 552 H LEU A 74 15.710 0.246 7.555 1.00 0.00 H ATOM 553 N ALA A 75 17.681 -3.447 6.173 1.00 14.46 N ATOM 554 CA ALA A 75 17.878 -4.310 5.018 1.00 16.03 C ATOM 555 C ALA A 75 18.036 -5.755 5.458 1.00 16.31 C ATOM 556 O ALA A 75 18.634 -6.030 6.500 1.00 16.65 O ATOM 557 CB ALA A 75 19.084 -3.870 4.211 1.00 16.38 C ATOM 558 H ALA A 75 18.297 -3.569 7.002 1.00 0.00 H ATOM 559 N MET A 76 17.478 -6.680 4.683 1.00 14.55 N ATOM 560 CA MET A 76 17.786 -8.091 4.881 1.00 16.40 C ATOM 561 C MET A 76 18.708 -8.578 3.774 1.00 17.63 C ATOM 562 O MET A 76 18.468 -8.325 2.592 1.00 18.06 O ATOM 563 CB MET A 76 16.528 -8.959 4.963 1.00 20.32 C ATOM 564 CG MET A 76 16.866 -10.417 5.253 1.00 24.37 C ATOM 565 SD MET A 76 15.458 -11.493 5.541 1.00 24.50 S ATOM 566 CE MET A 76 14.649 -10.652 6.904 1.00 24.61 C ATOM 567 H MET A 76 16.818 -6.395 3.931 1.00 0.00 H ATOM 568 N LYS A 77 19.778 -9.260 4.166 1.00 16.30 N ATOM 569 CA LYS A 77 20.772 -9.745 3.216 1.00 18.52 C ATOM 570 C LYS A 77 20.419 -11.137 2.704 1.00 19.51 C ATOM 571 O LYS A 77 19.569 -11.819 3.273 1.00 17.91 O ATOM 572 CB LYS A 77 22.154 -9.771 3.874 1.00 18.02 C ATOM 573 CG LYS A 77 22.552 -8.435 4.485 1.00 19.33 C ATOM 574 CD LYS A 77 22.477 -7.323 3.462 1.00 21.10 C ATOM 575 CE LYS A 77 23.630 -7.403 2.484 1.00 22.52 C ATOM 576 NZ LYS A 77 23.584 -6.266 1.522 1.00 25.92 N ATOM 577 HZ1 LYS A 77 22.690 -6.298 0.992 1.00 0.00 H ATOM 578 HZ2 LYS A 77 23.647 -5.369 2.044 1.00 0.00 H ATOM 579 HZ3 LYS A 77 24.383 -6.340 0.861 1.00 0.00 H ATOM 580 H LYS A 77 19.911 -9.454 5.179 1.00 0.00 H ATOM 581 N GLU A 78 21.107 -11.559 1.648 1.00 24.41 N ATOM 582 CA GLU A 78 20.823 -12.833 0.994 1.00 23.55 C ATOM 583 C GLU A 78 21.049 -14.056 1.881 1.00 23.91 C ATOM 584 O GLU A 78 20.530 -15.133 1.587 1.00 26.68 O ATOM 585 CB GLU A 78 21.619 -12.956 -0.312 1.00 27.44 C ATOM 586 CG GLU A 78 23.080 -13.323 -0.119 1.00 31.85 C ATOM 587 CD GLU A 78 23.922 -13.067 -1.357 1.00 39.45 C ATOM 588 OE1 GLU A 78 24.950 -12.366 -1.234 1.00 46.30 O ATOM 589 OE2 GLU A 78 23.567 -13.562 -2.449 1.00 44.34 O ATOM 590 H GLU A 78 21.873 -10.962 1.275 1.00 0.00 H ATOM 591 N ASP A 79 21.810 -13.897 2.964 1.00 20.60 N ATOM 592 CA ASP A 79 22.011 -14.996 3.906 1.00 23.94 C ATOM 593 C ASP A 79 21.210 -14.823 5.193 1.00 20.89 C ATOM 594 O ASP A 79 21.441 -15.531 6.175 1.00 25.77 O ATOM 595 CB ASP A 79 23.499 -15.177 4.220 1.00 22.14 C ATOM 596 CG ASP A 79 24.108 -13.962 4.879 1.00 25.72 C ATOM 597 OD1 ASP A 79 23.415 -12.925 5.000 1.00 21.82 O ATOM 598 OD2 ASP A 79 25.293 -14.049 5.263 1.00 29.26 O ATOM 599 H ASP A 79 22.266 -12.979 3.141 1.00 0.00 H ATOM 600 N GLY A 80 20.280 -13.874 5.187 1.00 18.66 N ATOM 601 CA GLY A 80 19.374 -13.693 6.307 1.00 16.76 C ATOM 602 C GLY A 80 19.832 -12.673 7.338 1.00 15.62 C ATOM 603 O GLY A 80 19.141 -12.427 8.335 1.00 16.59 O ATOM 604 H GLY A 80 20.199 -13.247 4.361 1.00 0.00 H ATOM 605 N ARG A 81 20.991 -12.069 7.120 1.00 16.86 N ATOM 606 CA ARG A 81 21.461 -11.063 8.068 1.00 18.47 C ATOM 607 C ARG A 81 20.573 -9.828 7.995 1.00 17.68 C ATOM 608 O ARG A 81 20.085 -9.464 6.924 1.00 17.05 O ATOM 609 CB ARG A 81 22.913 -10.666 7.779 1.00 15.80 C ATOM 610 CG ARG A 81 23.916 -11.738 8.152 1.00 18.49 C ATOM 611 CD ARG A 81 25.149 -11.705 7.242 1.00 31.53 C ATOM 612 NE ARG A 81 25.820 -10.413 7.187 1.00 37.48 N ATOM 613 CZ ARG A 81 26.103 -9.749 6.065 1.00 28.36 C ATOM 614 NH1 ARG A 81 25.772 -10.240 4.876 1.00 31.66 N ATOM 615 NH2 ARG A 81 26.726 -8.588 6.131 1.00 28.98 N ATOM 616 HE ARG A 81 26.099 -9.976 8.089 1.00 0.00 H ATOM 617 HH12 ARG A 81 26.001 -9.708 4.012 1.00 0.00 H ATOM 618 HH11 ARG A 81 25.284 -11.156 4.809 1.00 0.00 H ATOM 619 HH22 ARG A 81 26.949 -8.067 5.259 1.00 0.00 H ATOM 620 HH21 ARG A 81 26.995 -8.194 7.055 1.00 0.00 H ATOM 621 H ARG A 81 21.560 -12.309 6.283 1.00 0.00 H ATOM 622 N LEU A 82 20.353 -9.200 9.144 1.00 15.35 N ATOM 623 CA LEU A 82 19.736 -7.889 9.214 1.00 15.13 C ATOM 624 C LEU A 82 20.812 -6.861 9.488 1.00 17.53 C ATOM 625 O LEU A 82 21.724 -7.101 10.289 1.00 20.59 O ATOM 626 CB LEU A 82 18.719 -7.815 10.346 1.00 21.20 C ATOM 627 CG LEU A 82 17.315 -8.369 10.219 1.00 20.36 C ATOM 628 CD1 LEU A 82 16.477 -7.817 11.356 1.00 15.90 C ATOM 629 CD2 LEU A 82 16.696 -8.007 8.872 1.00 19.28 C ATOM 630 H LEU A 82 20.634 -9.667 10.030 1.00 0.00 H ATOM 631 N LEU A 83 20.695 -5.710 8.840 1.00 15.80 N ATOM 632 CA LEU A 83 21.550 -4.572 9.130 1.00 17.10 C ATOM 633 C LEU A 83 20.841 -3.346 8.596 1.00 17.16 C ATOM 634 O LEU A 83 19.766 -3.463 8.009 1.00 16.66 O ATOM 635 CB LEU A 83 22.922 -4.741 8.477 1.00 18.96 C ATOM 636 CG LEU A 83 23.006 -5.073 6.988 1.00 21.75 C ATOM 637 CD1 LEU A 83 22.968 -3.825 6.109 1.00 25.80 C ATOM 638 CD2 LEU A 83 24.265 -5.874 6.726 1.00 28.05 C ATOM 639 H LEU A 83 19.969 -5.619 8.101 1.00 0.00 H ATOM 640 N ALA A 84 21.422 -2.173 8.793 1.00 16.78 N ATOM 641 CA ALA A 84 20.808 -0.966 8.260 1.00 15.82 C ATOM 642 C ALA A 84 21.803 -0.208 7.401 1.00 16.39 C ATOM 643 O ALA A 84 22.919 0.072 7.837 1.00 19.67 O ATOM 644 CB ALA A 84 20.271 -0.099 9.375 1.00 18.45 C ATOM 645 H ALA A 84 22.313 -2.114 9.326 1.00 0.00 H ATOM 646 N SER A 85 21.393 0.114 6.176 1.00 16.48 N ATOM 647 CA SER A 85 22.285 0.726 5.197 1.00 19.95 C ATOM 648 C SER A 85 22.003 2.205 4.980 1.00 21.38 C ATOM 649 O SER A 85 20.872 2.667 5.137 1.00 18.55 O ATOM 650 CB SER A 85 22.142 0.011 3.866 1.00 24.66 C ATOM 651 OG SER A 85 20.830 0.150 3.365 1.00 23.15 O ATOM 652 HG SER A 85 20.757 -0.322 2.498 1.00 0.00 H ATOM 653 H SER A 85 20.406 -0.077 5.909 1.00 0.00 H ATOM 654 N LYS A 86 23.029 2.951 4.585 1.00 22.67 N ATOM 655 CA LYS A 86 22.836 4.361 4.276 1.00 22.68 C ATOM 656 C LYS A 86 22.008 4.550 3.013 1.00 23.17 C ATOM 657 O LYS A 86 21.227 5.497 2.914 1.00 21.62 O ATOM 658 CB LYS A 86 24.179 5.077 4.120 1.00 23.73 C ATOM 659 CG LYS A 86 24.861 5.407 5.430 1.00 27.06 C ATOM 660 CD LYS A 86 26.171 6.144 5.178 1.00 32.57 C ATOM 661 CE LYS A 86 26.973 6.294 6.459 1.00 40.07 C ATOM 662 NZ LYS A 86 26.578 7.511 7.224 1.00 41.64 N ATOM 663 HZ1 LYS A 86 26.739 8.355 6.638 1.00 0.00 H ATOM 664 HZ2 LYS A 86 25.571 7.449 7.475 1.00 0.00 H ATOM 665 HZ3 LYS A 86 27.150 7.575 8.091 1.00 0.00 H ATOM 666 H LYS A 86 23.974 2.526 4.496 1.00 0.00 H ATOM 667 N SER A 87 22.181 3.643 2.055 1.00 22.68 N ATOM 668 CA SER A 87 21.455 3.718 0.798 1.00 26.33 C ATOM 669 C SER A 87 20.218 2.836 0.802 1.00 24.46 C ATOM 670 O SER A 87 20.172 1.805 1.481 1.00 22.68 O ATOM 671 CB SER A 87 22.362 3.317 -0.364 1.00 27.27 C ATOM 672 OG SER A 87 23.547 4.092 -0.373 1.00 35.97 O ATOM 673 HG SER A 87 24.116 3.813 -1.134 1.00 0.00 H ATOM 674 H SER A 87 22.851 2.863 2.209 1.00 0.00 H ATOM 675 N VAL A 88 19.207 3.256 0.047 1.00 24.11 N ATOM 676 CA VAL A 88 18.024 2.439 -0.176 1.00 21.49 C ATOM 677 C VAL A 88 18.294 1.543 -1.369 1.00 26.01 C ATOM 678 O VAL A 88 18.562 2.035 -2.469 1.00 28.58 O ATOM 679 CB VAL A 88 16.778 3.300 -0.477 1.00 22.37 C ATOM 680 CG1 VAL A 88 15.536 2.437 -0.602 1.00 27.46 C ATOM 681 CG2 VAL A 88 16.590 4.369 0.590 1.00 31.81 C ATOM 682 H VAL A 88 19.264 4.195 -0.397 1.00 0.00 H ATOM 683 N THR A 89 18.250 0.234 -1.149 1.00 20.66 N ATOM 684 CA THR A 89 18.342 -0.736 -2.234 1.00 23.94 C ATOM 685 C THR A 89 17.139 -1.667 -2.176 1.00 19.11 C ATOM 686 O THR A 89 16.265 -1.503 -1.324 1.00 19.46 O ATOM 687 CB THR A 89 19.626 -1.568 -2.149 1.00 24.09 C ATOM 688 OG1 THR A 89 19.538 -2.473 -1.041 1.00 22.45 O ATOM 689 CG2 THR A 89 20.837 -0.672 -1.974 1.00 27.21 C ATOM 690 HG1 THR A 89 20.368 -3.009 -0.988 1.00 0.00 H ATOM 691 H THR A 89 18.147 -0.110 -0.173 1.00 0.00 H ATOM 692 N ASP A 90 17.101 -2.653 -3.067 1.00 21.36 N ATOM 693 CA ASP A 90 15.969 -3.568 -3.123 1.00 18.93 C ATOM 694 C ASP A 90 15.894 -4.462 -1.891 1.00 18.35 C ATOM 695 O ASP A 90 14.883 -5.118 -1.652 1.00 19.82 O ATOM 696 CB ASP A 90 15.983 -4.400 -4.414 1.00 25.88 C ATOM 697 CG ASP A 90 17.221 -5.274 -4.554 1.00 28.98 C ATOM 698 OD1 ASP A 90 18.121 -5.213 -3.692 1.00 28.73 O ATOM 699 OD2 ASP A 90 17.294 -6.018 -5.559 1.00 31.07 O ATOM 700 H ASP A 90 17.891 -2.773 -3.733 1.00 0.00 H ATOM 701 N GLU A 91 16.960 -4.475 -1.104 1.00 18.72 N ATOM 702 CA GLU A 91 16.954 -5.260 0.121 1.00 18.05 C ATOM 703 C GLU A 91 16.308 -4.516 1.287 1.00 16.32 C ATOM 704 O GLU A 91 16.204 -5.052 2.388 1.00 15.24 O ATOM 705 CB GLU A 91 18.374 -5.706 0.467 1.00 15.99 C ATOM 706 CG GLU A 91 18.940 -6.713 -0.519 1.00 19.76 C ATOM 707 CD GLU A 91 20.344 -7.138 -0.173 1.00 23.42 C ATOM 708 OE1 GLU A 91 21.099 -6.299 0.351 1.00 23.63 O ATOM 709 OE2 GLU A 91 20.692 -8.305 -0.436 1.00 25.50 O ATOM 710 H GLU A 91 17.803 -3.923 -1.362 1.00 0.00 H ATOM 711 N CYS A 92 15.831 -3.303 1.026 1.00 15.57 N ATOM 712 CA CYS A 92 15.312 -2.433 2.078 1.00 15.71 C ATOM 713 C CYS A 92 13.796 -2.346 2.096 1.00 14.02 C ATOM 714 O CYS A 92 13.226 -1.465 2.736 1.00 16.94 O ATOM 715 CB CYS A 92 15.890 -1.024 1.941 1.00 17.38 C ATOM 716 SG CYS A 92 17.680 -0.939 2.141 1.00 17.40 S ATOM 717 H CYS A 92 15.827 -2.963 0.043 1.00 0.00 H ATOM 718 N PHE A 93 13.133 -3.237 1.377 1.00 14.14 N ATOM 719 CA PHE A 93 11.682 -3.178 1.327 1.00 14.75 C ATOM 720 C PHE A 93 11.049 -4.422 1.874 1.00 12.24 C ATOM 721 O PHE A 93 11.562 -5.528 1.694 1.00 15.33 O ATOM 722 CB PHE A 93 11.205 -2.889 -0.096 1.00 15.30 C ATOM 723 CG PHE A 93 11.648 -1.554 -0.592 1.00 16.34 C ATOM 724 CD1 PHE A 93 12.778 -1.441 -1.390 1.00 20.66 C ATOM 725 CD2 PHE A 93 10.962 -0.405 -0.218 1.00 17.95 C ATOM 726 CE1 PHE A 93 13.209 -0.202 -1.835 1.00 23.22 C ATOM 727 CE2 PHE A 93 11.382 0.841 -0.656 1.00 23.60 C ATOM 728 CZ PHE A 93 12.505 0.941 -1.469 1.00 19.49 C ATOM 729 H PHE A 93 13.646 -3.974 0.852 1.00 0.00 H ATOM 730 N PHE A 94 9.924 -4.229 2.551 1.00 12.01 N ATOM 731 CA PHE A 94 9.289 -5.309 3.278 1.00 13.19 C ATOM 732 C PHE A 94 7.786 -5.291 3.080 1.00 13.48 C ATOM 733 O PHE A 94 7.172 -4.216 3.046 1.00 15.06 O ATOM 734 CB PHE A 94 9.610 -5.183 4.765 1.00 13.24 C ATOM 735 CG PHE A 94 11.066 -5.274 5.059 1.00 12.99 C ATOM 736 CD1 PHE A 94 11.853 -4.132 5.053 1.00 13.81 C ATOM 737 CD2 PHE A 94 11.661 -6.505 5.307 1.00 12.11 C ATOM 738 CE1 PHE A 94 13.210 -4.206 5.299 1.00 14.14 C ATOM 739 CE2 PHE A 94 13.026 -6.587 5.562 1.00 14.59 C ATOM 740 CZ PHE A 94 13.797 -5.433 5.553 1.00 12.92 C ATOM 741 H PHE A 94 9.490 -3.284 2.560 1.00 0.00 H ATOM 742 N PHE A 95 7.202 -6.478 2.936 1.00 14.60 N ATOM 743 CA PHE A 95 5.751 -6.610 2.980 1.00 15.28 C ATOM 744 C PHE A 95 5.308 -6.390 4.414 1.00 13.84 C ATOM 745 O PHE A 95 5.732 -7.111 5.319 1.00 15.23 O ATOM 746 CB PHE A 95 5.291 -8.002 2.520 1.00 15.61 C ATOM 747 CG PHE A 95 5.755 -8.378 1.141 1.00 16.40 C ATOM 748 CD1 PHE A 95 5.316 -7.667 0.024 1.00 20.89 C ATOM 749 CD2 PHE A 95 6.615 -9.449 0.955 1.00 19.39 C ATOM 750 CE1 PHE A 95 5.736 -8.024 -1.249 1.00 19.75 C ATOM 751 CE2 PHE A 95 7.043 -9.805 -0.310 1.00 20.77 C ATOM 752 CZ PHE A 95 6.607 -9.090 -1.415 1.00 19.08 C ATOM 753 H PHE A 95 7.789 -7.324 2.790 1.00 0.00 H ATOM 754 N GLU A 96 4.474 -5.383 4.632 1.00 14.92 N ATOM 755 CA GLU A 96 3.888 -5.168 5.943 1.00 16.90 C ATOM 756 C GLU A 96 2.486 -5.758 5.949 1.00 18.19 C ATOM 757 O GLU A 96 1.618 -5.303 5.207 1.00 18.35 O ATOM 758 CB GLU A 96 3.837 -3.680 6.282 1.00 18.10 C ATOM 759 CG GLU A 96 3.076 -3.383 7.560 1.00 20.96 C ATOM 760 CD GLU A 96 2.991 -1.900 7.854 1.00 25.75 C ATOM 761 OE1 GLU A 96 3.568 -1.465 8.869 1.00 22.21 O ATOM 762 OE2 GLU A 96 2.339 -1.170 7.079 1.00 27.39 O ATOM 763 H GLU A 96 4.236 -4.737 3.852 1.00 0.00 H ATOM 764 N ARG A 97 2.271 -6.770 6.783 1.00 16.65 N ATOM 765 CA ARG A 97 0.984 -7.470 6.826 1.00 14.24 C ATOM 766 C ARG A 97 0.410 -7.454 8.232 1.00 17.37 C ATOM 767 O ARG A 97 1.110 -7.786 9.193 1.00 16.29 O ATOM 768 CB ARG A 97 1.152 -8.919 6.369 1.00 17.23 C ATOM 769 CG ARG A 97 -0.163 -9.659 6.182 1.00 23.07 C ATOM 770 CD ARG A 97 0.072 -11.089 5.703 1.00 24.18 C ATOM 771 NE ARG A 97 -0.996 -11.539 4.811 1.00 37.35 N ATOM 772 CZ ARG A 97 -1.891 -12.465 5.133 1.00 28.06 C ATOM 773 NH1 ARG A 97 -1.832 -13.050 6.322 1.00 35.44 N ATOM 774 NH2 ARG A 97 -2.836 -12.818 4.269 1.00 35.73 N ATOM 775 HE ARG A 97 -1.058 -11.107 3.867 1.00 0.00 H ATOM 776 HH12 ARG A 97 -2.531 -13.776 6.580 1.00 0.00 H ATOM 777 HH11 ARG A 97 -1.087 -12.783 6.997 1.00 0.00 H ATOM 778 HH22 ARG A 97 -3.533 -13.544 4.529 1.00 0.00 H ATOM 779 HH21 ARG A 97 -2.879 -12.368 3.332 1.00 0.00 H ATOM 780 H ARG A 97 3.035 -7.073 7.421 1.00 0.00 H ATOM 781 N LEU A 98 -0.858 -7.068 8.357 1.00 14.66 N ATOM 782 CA LEU A 98 -1.552 -7.169 9.637 1.00 13.16 C ATOM 783 C LEU A 98 -2.133 -8.557 9.757 1.00 15.03 C ATOM 784 O LEU A 98 -3.063 -8.909 9.035 1.00 18.35 O ATOM 785 CB LEU A 98 -2.661 -6.118 9.757 1.00 16.93 C ATOM 786 CG LEU A 98 -3.431 -6.104 11.083 1.00 18.99 C ATOM 787 CD1 LEU A 98 -2.534 -5.696 12.247 1.00 20.37 C ATOM 788 CD2 LEU A 98 -4.652 -5.192 11.009 1.00 22.14 C ATOM 789 H LEU A 98 -1.362 -6.689 7.530 1.00 0.00 H ATOM 790 N GLU A 99 -1.572 -9.353 10.660 1.00 14.32 N ATOM 791 CA GLU A 99 -1.982 -10.746 10.816 1.00 14.21 C ATOM 792 C GLU A 99 -3.297 -10.858 11.584 1.00 15.91 C ATOM 793 O GLU A 99 -3.777 -9.880 12.157 1.00 15.43 O ATOM 794 CB GLU A 99 -0.886 -11.549 11.519 1.00 14.72 C ATOM 795 CG GLU A 99 0.488 -11.521 10.841 1.00 16.05 C ATOM 796 CD GLU A 99 0.501 -12.040 9.404 1.00 20.59 C ATOM 797 OE1 GLU A 99 -0.445 -12.758 8.985 1.00 21.67 O ATOM 798 OE2 GLU A 99 1.477 -11.741 8.680 1.00 19.17 O ATOM 799 H GLU A 99 -0.821 -8.975 11.272 1.00 0.00 H ATOM 800 N SER A 100 -3.886 -12.051 11.585 1.00 17.16 N ATOM 801 CA SER A 100 -5.177 -12.249 12.239 1.00 18.79 C ATOM 802 C SER A 100 -5.137 -12.010 13.750 1.00 17.98 C ATOM 803 O SER A 100 -6.181 -11.795 14.368 1.00 21.54 O ATOM 804 CB SER A 100 -5.730 -13.643 11.938 1.00 19.45 C ATOM 805 OG SER A 100 -4.927 -14.643 12.533 1.00 21.31 O ATOM 806 HG SER A 100 -4.006 -14.581 12.175 1.00 0.00 H ATOM 807 H SER A 100 -3.421 -12.853 11.114 1.00 0.00 H ATOM 808 N ASN A 101 -3.944 -12.043 14.344 1.00 17.79 N ATOM 809 CA ASN A 101 -3.791 -11.720 15.759 1.00 17.38 C ATOM 810 C ASN A 101 -3.539 -10.229 16.013 1.00 18.34 C ATOM 811 O ASN A 101 -3.256 -9.815 17.139 1.00 17.12 O ATOM 812 CB ASN A 101 -2.670 -12.557 16.386 1.00 17.73 C ATOM 813 CG ASN A 101 -1.346 -12.404 15.658 1.00 19.59 C ATOM 814 OD1 ASN A 101 -1.125 -11.429 14.937 1.00 19.20 O ATOM 815 ND2 ASN A 101 -0.454 -13.375 15.847 1.00 22.50 N ATOM 816 HD22 ASN A 101 -0.684 -14.179 16.465 1.00 0.00 H ATOM 817 HD21 ASN A 101 0.473 -13.329 15.377 1.00 0.00 H ATOM 818 H ASN A 101 -3.105 -12.304 13.788 1.00 0.00 H ATOM 819 N ASN A 102 -3.636 -9.431 14.949 1.00 16.09 N ATOM 820 CA ASN A 102 -3.458 -7.978 15.012 1.00 17.30 C ATOM 821 C ASN A 102 -2.044 -7.520 15.347 1.00 14.27 C ATOM 822 O ASN A 102 -1.838 -6.375 15.745 1.00 16.73 O ATOM 823 CB ASN A 102 -4.490 -7.312 15.936 1.00 16.19 C ATOM 824 CG ASN A 102 -5.812 -7.047 15.236 1.00 17.34 C ATOM 825 OD1 ASN A 102 -6.004 -7.447 14.092 1.00 21.49 O ATOM 826 ND2 ASN A 102 -6.726 -6.367 15.921 1.00 18.18 N ATOM 827 HD22 ASN A 102 -6.519 -6.048 16.889 1.00 0.00 H ATOM 828 HD21 ASN A 102 -7.648 -6.154 15.489 1.00 0.00 H ATOM 829 H ASN A 102 -3.849 -9.862 14.027 1.00 0.00 H ATOM 830 N TYR A 103 -1.083 -8.423 15.197 1.00 15.34 N ATOM 831 CA TYR A 103 0.320 -8.025 15.158 1.00 15.13 C ATOM 832 C TYR A 103 0.719 -7.897 13.698 1.00 16.56 C ATOM 833 O TYR A 103 0.137 -8.542 12.826 1.00 14.95 O ATOM 834 CB TYR A 103 1.223 -9.044 15.869 1.00 12.92 C ATOM 835 CG TYR A 103 1.161 -8.997 17.377 1.00 17.67 C ATOM 836 CD1 TYR A 103 0.119 -9.600 18.070 1.00 21.56 C ATOM 837 CD2 TYR A 103 2.158 -8.358 18.109 1.00 23.57 C ATOM 838 CE1 TYR A 103 0.064 -9.563 19.453 1.00 24.93 C ATOM 839 CE2 TYR A 103 2.111 -8.322 19.491 1.00 23.48 C ATOM 840 CZ TYR A 103 1.061 -8.922 20.152 1.00 28.19 C ATOM 841 OH TYR A 103 1.009 -8.881 21.529 1.00 33.90 O ATOM 842 HH TYR A 103 0.198 -9.355 21.842 1.00 0.00 H ATOM 843 H TYR A 103 -1.334 -9.428 15.106 1.00 0.00 H ATOM 844 N ASN A 104 1.692 -7.040 13.418 1.00 12.62 N ATOM 845 CA ASN A 104 2.200 -6.903 12.060 1.00 13.37 C ATOM 846 C ASN A 104 3.397 -7.816 11.859 1.00 15.55 C ATOM 847 O ASN A 104 4.103 -8.136 12.810 1.00 15.52 O ATOM 848 CB ASN A 104 2.641 -5.462 11.789 1.00 14.90 C ATOM 849 CG ASN A 104 1.480 -4.534 11.489 1.00 19.40 C ATOM 850 OD1 ASN A 104 0.438 -4.960 11.015 1.00 23.67 O ATOM 851 ND2 ASN A 104 1.671 -3.249 11.741 1.00 27.43 N ATOM 852 HD22 ASN A 104 2.574 -2.927 12.145 1.00 0.00 H ATOM 853 HD21 ASN A 104 0.919 -2.561 11.535 1.00 0.00 H ATOM 854 H ASN A 104 2.098 -6.458 14.179 1.00 0.00 H ATOM 855 N THR A 105 3.623 -8.225 10.619 1.00 15.27 N ATOM 856 CA THR A 105 4.865 -8.888 10.253 1.00 13.67 C ATOM 857 C THR A 105 5.519 -8.102 9.130 1.00 14.62 C ATOM 858 O THR A 105 4.836 -7.393 8.382 1.00 14.96 O ATOM 859 CB THR A 105 4.630 -10.334 9.806 1.00 15.60 C ATOM 860 OG1 THR A 105 3.742 -10.356 8.684 1.00 14.36 O ATOM 861 CG2 THR A 105 4.027 -11.131 10.935 1.00 14.03 C ATOM 862 HG1 THR A 105 4.142 -9.843 7.938 1.00 0.00 H ATOM 863 H THR A 105 2.896 -8.069 9.891 1.00 0.00 H ATOM 864 N TYR A 106 6.843 -8.217 9.034 1.00 13.99 N ATOM 865 CA TYR A 106 7.618 -7.551 7.991 1.00 13.02 C ATOM 866 C TYR A 106 8.444 -8.578 7.240 1.00 14.05 C ATOM 867 O TYR A 106 9.451 -9.073 7.736 1.00 15.69 O ATOM 868 CB TYR A 106 8.472 -6.425 8.596 1.00 13.22 C ATOM 869 CG TYR A 106 7.577 -5.403 9.238 1.00 13.87 C ATOM 870 CD1 TYR A 106 7.071 -4.344 8.501 1.00 15.36 C ATOM 871 CD2 TYR A 106 7.172 -5.545 10.558 1.00 14.06 C ATOM 872 CE1 TYR A 106 6.212 -3.429 9.071 1.00 16.78 C ATOM 873 CE2 TYR A 106 6.312 -4.632 11.140 1.00 16.08 C ATOM 874 CZ TYR A 106 5.836 -3.583 10.388 1.00 12.70 C ATOM 875 OH TYR A 106 4.971 -2.676 10.962 1.00 17.64 O ATOM 876 HH TYR A 106 4.724 -1.989 10.294 1.00 0.00 H ATOM 877 H TYR A 106 7.345 -8.805 9.730 1.00 0.00 H ATOM 878 N ARG A 107 7.981 -8.917 6.042 1.00 14.75 N ATOM 879 CA ARG A 107 8.573 -9.991 5.260 1.00 13.41 C ATOM 880 C ARG A 107 9.365 -9.381 4.119 1.00 14.19 C ATOM 881 O ARG A 107 8.879 -8.482 3.439 1.00 14.56 O ATOM 882 CB ARG A 107 7.469 -10.898 4.714 1.00 14.59 C ATOM 883 CG ARG A 107 7.939 -12.104 3.933 1.00 15.99 C ATOM 884 CD ARG A 107 6.792 -13.125 3.757 1.00 17.55 C ATOM 885 NE ARG A 107 5.607 -12.563 3.109 1.00 20.11 N ATOM 886 CZ ARG A 107 5.411 -12.571 1.795 1.00 19.57 C ATOM 887 NH1 ARG A 107 6.325 -13.114 1.005 1.00 21.65 N ATOM 888 NH2 ARG A 107 4.311 -12.044 1.270 1.00 21.95 N ATOM 889 HE ARG A 107 4.876 -12.133 3.711 1.00 0.00 H ATOM 890 HH12 ARG A 107 6.181 -13.126 -0.025 1.00 0.00 H ATOM 891 HH11 ARG A 107 7.186 -13.529 1.415 1.00 0.00 H ATOM 892 HH22 ARG A 107 4.169 -12.056 0.240 1.00 0.00 H ATOM 893 HH21 ARG A 107 3.591 -11.619 1.889 1.00 0.00 H ATOM 894 H ARG A 107 7.169 -8.398 5.651 1.00 0.00 H ATOM 895 N SER A 108 10.581 -9.872 3.908 1.00 12.87 N ATOM 896 CA SER A 108 11.466 -9.293 2.891 1.00 14.27 C ATOM 897 C SER A 108 10.871 -9.388 1.498 1.00 13.24 C ATOM 898 O SER A 108 10.456 -10.461 1.062 1.00 15.96 O ATOM 899 CB SER A 108 12.849 -9.956 2.922 1.00 16.93 C ATOM 900 OG SER A 108 13.583 -9.609 1.760 1.00 17.17 O ATOM 901 HG SER A 108 13.695 -8.626 1.723 1.00 0.00 H ATOM 902 H SER A 108 10.911 -10.680 4.473 1.00 0.00 H ATOM 903 N ARG A 109 10.824 -8.254 0.803 1.00 12.77 N ATOM 904 CA ARG A 109 10.288 -8.233 -0.555 1.00 14.96 C ATOM 905 C ARG A 109 11.215 -8.971 -1.515 1.00 17.79 C ATOM 906 O ARG A 109 10.775 -9.481 -2.557 1.00 18.36 O ATOM 907 CB ARG A 109 10.061 -6.799 -1.024 1.00 13.48 C ATOM 908 CG ARG A 109 9.289 -6.740 -2.332 1.00 16.06 C ATOM 909 CD ARG A 109 9.014 -5.334 -2.769 1.00 19.14 C ATOM 910 NE ARG A 109 7.997 -5.321 -3.810 1.00 16.54 N ATOM 911 CZ ARG A 109 7.715 -4.275 -4.572 1.00 19.72 C ATOM 912 NH1 ARG A 109 8.386 -3.138 -4.434 1.00 18.67 N ATOM 913 NH2 ARG A 109 6.763 -4.374 -5.483 1.00 18.50 N ATOM 914 HE ARG A 109 7.454 -6.194 -3.966 1.00 0.00 H ATOM 915 HH12 ARG A 109 8.157 -2.322 -5.037 1.00 0.00 H ATOM 916 HH11 ARG A 109 9.141 -3.063 -3.723 1.00 0.00 H ATOM 917 HH22 ARG A 109 6.534 -3.559 -6.086 1.00 0.00 H ATOM 918 HH21 ARG A 109 6.243 -5.267 -5.597 1.00 0.00 H ATOM 919 H ARG A 109 11.173 -7.373 1.232 1.00 0.00 H ATOM 920 N LYS A 110 12.493 -9.052 -1.154 1.00 17.97 N ATOM 921 CA LYS A 110 13.472 -9.698 -2.016 1.00 18.71 C ATOM 922 C LYS A 110 13.646 -11.176 -1.693 1.00 20.64 C ATOM 923 O LYS A 110 13.661 -12.021 -2.590 1.00 23.88 O ATOM 924 CB LYS A 110 14.815 -8.980 -1.939 1.00 22.09 C ATOM 925 CG LYS A 110 15.804 -9.501 -2.963 1.00 28.78 C ATOM 926 CD LYS A 110 16.949 -8.544 -3.153 1.00 27.06 C ATOM 927 CE LYS A 110 17.823 -8.972 -4.314 1.00 30.66 C ATOM 928 NZ LYS A 110 19.101 -8.211 -4.333 1.00 35.12 N ATOM 929 HZ1 LYS A 110 18.897 -7.196 -4.427 1.00 0.00 H ATOM 930 HZ2 LYS A 110 19.618 -8.382 -3.447 1.00 0.00 H ATOM 931 HZ3 LYS A 110 19.678 -8.526 -5.139 1.00 0.00 H ATOM 932 H LYS A 110 12.796 -8.649 -0.245 1.00 0.00 H ATOM 933 N TYR A 111 13.773 -11.484 -0.405 1.00 17.52 N ATOM 934 CA TYR A 111 13.927 -12.858 0.058 1.00 17.15 C ATOM 935 C TYR A 111 12.629 -13.251 0.751 1.00 17.86 C ATOM 936 O TYR A 111 12.478 -13.135 1.963 1.00 17.45 O ATOM 937 CB TYR A 111 15.148 -12.955 0.978 1.00 20.32 C ATOM 938 CG TYR A 111 16.366 -12.315 0.345 1.00 21.02 C ATOM 939 CD1 TYR A 111 16.989 -12.905 -0.745 1.00 23.87 C ATOM 940 CD2 TYR A 111 16.878 -11.108 0.818 1.00 19.26 C ATOM 941 CE1 TYR A 111 18.093 -12.328 -1.343 1.00 24.78 C ATOM 942 CE2 TYR A 111 17.985 -10.518 0.221 1.00 20.03 C ATOM 943 CZ TYR A 111 18.582 -11.131 -0.863 1.00 23.67 C ATOM 944 OH TYR A 111 19.684 -10.563 -1.464 1.00 25.38 O ATOM 945 HH TYR A 111 20.416 -10.486 -0.802 1.00 0.00 H ATOM 946 H TYR A 111 13.762 -10.717 0.297 1.00 0.00 H ATOM 947 N THR A 112 11.682 -13.711 -0.054 1.00 16.84 N ATOM 948 CA THR A 112 10.272 -13.638 0.305 1.00 17.32 C ATOM 949 C THR A 112 9.760 -14.645 1.335 1.00 18.19 C ATOM 950 O THR A 112 8.580 -14.617 1.674 1.00 20.04 O ATOM 951 CB THR A 112 9.395 -13.710 -0.951 1.00 21.05 C ATOM 952 OG1 THR A 112 9.705 -14.906 -1.677 1.00 25.16 O ATOM 953 CG2 THR A 112 9.650 -12.495 -1.843 1.00 20.49 C ATOM 954 HG1 THR A 112 9.140 -14.954 -2.488 1.00 0.00 H ATOM 955 H THR A 112 11.952 -14.135 -0.965 1.00 0.00 H ATOM 956 N SER A 113 10.630 -15.531 1.816 1.00 20.83 N ATOM 957 CA SER A 113 10.253 -16.480 2.860 1.00 17.13 C ATOM 958 C SER A 113 10.756 -16.035 4.229 1.00 18.14 C ATOM 959 O SER A 113 10.511 -16.698 5.243 1.00 19.97 O ATOM 960 CB SER A 113 10.822 -17.865 2.551 1.00 18.88 C ATOM 961 OG SER A 113 10.282 -18.391 1.355 1.00 26.72 O ATOM 962 HG SER A 113 10.670 -19.286 1.185 1.00 0.00 H ATOM 963 H SER A 113 11.599 -15.547 1.440 1.00 0.00 H ATOM 964 N TRP A 114 11.465 -14.910 4.249 1.00 17.17 N ATOM 965 CA TRP A 114 12.158 -14.478 5.457 1.00 18.52 C ATOM 966 C TRP A 114 11.589 -13.204 6.090 1.00 16.72 C ATOM 967 O TRP A 114 11.228 -12.250 5.398 1.00 16.78 O ATOM 968 CB TRP A 114 13.640 -14.304 5.162 1.00 20.24 C ATOM 969 CG TRP A 114 14.315 -15.551 4.697 1.00 19.26 C ATOM 970 CD1 TRP A 114 13.837 -16.827 4.768 1.00 20.45 C ATOM 971 CD2 TRP A 114 15.600 -15.636 4.069 1.00 20.88 C ATOM 972 NE1 TRP A 114 14.753 -17.702 4.231 1.00 23.23 N ATOM 973 CE2 TRP A 114 15.844 -16.995 3.798 1.00 20.57 C ATOM 974 CE3 TRP A 114 16.570 -14.690 3.720 1.00 20.75 C ATOM 975 CZ2 TRP A 114 17.022 -17.434 3.183 1.00 24.02 C ATOM 976 CZ3 TRP A 114 17.738 -15.123 3.110 1.00 22.32 C ATOM 977 CH2 TRP A 114 17.952 -16.483 2.847 1.00 21.70 C ATOM 978 HE1 TRP A 114 14.636 -18.733 4.164 1.00 0.00 H ATOM 979 H TRP A 114 11.526 -14.329 3.389 1.00 0.00 H ATOM 980 N TYR A 115 11.531 -13.204 7.420 1.00 14.75 N ATOM 981 CA TYR A 115 10.920 -12.125 8.185 1.00 13.67 C ATOM 982 C TYR A 115 11.925 -11.404 9.067 1.00 12.82 C ATOM 983 O TYR A 115 12.882 -12.008 9.562 1.00 14.02 O ATOM 984 CB TYR A 115 9.857 -12.702 9.118 1.00 11.74 C ATOM 985 CG TYR A 115 8.623 -13.242 8.447 1.00 14.26 C ATOM 986 CD1 TYR A 115 8.585 -14.545 7.960 1.00 14.32 C ATOM 987 CD2 TYR A 115 7.479 -12.468 8.345 1.00 11.52 C ATOM 988 CE1 TYR A 115 7.443 -15.045 7.361 1.00 14.65 C ATOM 989 CE2 TYR A 115 6.330 -12.965 7.749 1.00 15.10 C ATOM 990 CZ TYR A 115 6.320 -14.251 7.261 1.00 17.11 C ATOM 991 OH TYR A 115 5.177 -14.746 6.661 1.00 17.55 O ATOM 992 HH TYR A 115 5.337 -15.678 6.368 1.00 0.00 H ATOM 993 H TYR A 115 11.940 -14.009 7.936 1.00 0.00 H ATOM 994 N VAL A 116 11.689 -10.105 9.254 1.00 11.99 N ATOM 995 CA VAL A 116 12.333 -9.321 10.308 1.00 12.47 C ATOM 996 C VAL A 116 11.893 -9.926 11.632 1.00 11.71 C ATOM 997 O VAL A 116 10.692 -10.158 11.852 1.00 13.10 O ATOM 998 CB VAL A 116 11.882 -7.847 10.259 1.00 10.64 C ATOM 999 CG1 VAL A 116 12.504 -7.060 11.411 1.00 12.01 C ATOM 1000 CG2 VAL A 116 12.261 -7.203 8.916 1.00 10.66 C ATOM 1001 H VAL A 116 11.016 -9.627 8.621 1.00 0.00 H ATOM 1002 N ALA A 117 12.844 -10.204 12.518 1.00 9.97 N ATOM 1003 CA ALA A 117 12.520 -10.946 13.730 1.00 9.91 C ATOM 1004 C ALA A 117 13.530 -10.687 14.833 1.00 12.15 C ATOM 1005 O ALA A 117 14.704 -10.471 14.555 1.00 15.28 O ATOM 1006 CB ALA A 117 12.466 -12.423 13.422 1.00 12.79 C ATOM 1007 H ALA A 117 13.821 -9.892 12.346 1.00 0.00 H ATOM 1008 N LEU A 118 13.075 -10.736 16.082 1.00 11.64 N ATOM 1009 CA LEU A 118 13.977 -10.658 17.231 1.00 11.58 C ATOM 1010 C LEU A 118 13.871 -11.907 18.073 1.00 13.58 C ATOM 1011 O LEU A 118 12.784 -12.435 18.282 1.00 12.42 O ATOM 1012 CB LEU A 118 13.657 -9.447 18.107 1.00 12.35 C ATOM 1013 CG LEU A 118 13.833 -8.061 17.483 1.00 14.67 C ATOM 1014 CD1 LEU A 118 13.361 -7.001 18.457 1.00 15.97 C ATOM 1015 CD2 LEU A 118 15.277 -7.796 17.080 1.00 16.98 C ATOM 1016 H LEU A 118 12.052 -10.832 16.246 1.00 0.00 H ATOM 1017 N LYS A 119 15.014 -12.370 18.564 1.00 12.92 N ATOM 1018 CA LYS A 119 15.044 -13.505 19.491 1.00 11.92 C ATOM 1019 C LYS A 119 14.794 -13.056 20.926 1.00 16.05 C ATOM 1020 O LYS A 119 14.834 -11.854 21.234 1.00 14.51 O ATOM 1021 CB LYS A 119 16.412 -14.192 19.413 1.00 14.73 C ATOM 1022 CG LYS A 119 16.748 -14.651 18.011 1.00 17.41 C ATOM 1023 CD LYS A 119 17.956 -15.575 17.945 1.00 21.64 C ATOM 1024 CE LYS A 119 19.264 -14.856 18.123 1.00 24.60 C ATOM 1025 NZ LYS A 119 20.394 -15.836 18.080 1.00 30.97 N ATOM 1026 HZ1 LYS A 119 20.277 -16.531 18.844 1.00 0.00 H ATOM 1027 HZ2 LYS A 119 20.393 -16.325 17.162 1.00 0.00 H ATOM 1028 HZ3 LYS A 119 21.294 -15.331 18.204 1.00 0.00 H ATOM 1029 H LYS A 119 15.908 -11.918 18.285 1.00 0.00 H ATOM 1030 N ARG A 120 14.566 -14.029 21.806 1.00 15.59 N ATOM 1031 CA ARG A 120 14.315 -13.759 23.224 1.00 18.91 C ATOM 1032 C ARG A 120 15.473 -13.104 23.957 1.00 20.07 C ATOM 1033 O ARG A 120 15.284 -12.568 25.043 1.00 23.10 O ATOM 1034 CB ARG A 120 13.942 -15.042 23.960 1.00 19.08 C ATOM 1035 CG ARG A 120 12.527 -15.424 23.761 1.00 24.77 C ATOM 1036 CD ARG A 120 11.603 -14.257 24.082 1.00 26.91 C ATOM 1037 NE ARG A 120 11.501 -14.011 25.518 1.00 30.63 N ATOM 1038 CZ ARG A 120 10.712 -14.696 26.342 1.00 29.28 C ATOM 1039 NH1 ARG A 120 9.960 -15.688 25.880 1.00 30.62 N ATOM 1040 NH2 ARG A 120 10.683 -14.395 27.634 1.00 34.33 N ATOM 1041 HE ARG A 120 12.083 -13.250 25.923 1.00 0.00 H ATOM 1042 HH12 ARG A 120 9.345 -16.220 26.529 1.00 0.00 H ATOM 1043 HH11 ARG A 120 9.986 -15.933 24.870 1.00 0.00 H ATOM 1044 HH22 ARG A 120 10.067 -14.930 28.279 1.00 0.00 H ATOM 1045 HH21 ARG A 120 11.277 -13.624 28.002 1.00 0.00 H ATOM 1046 H ARG A 120 14.566 -15.015 21.475 1.00 0.00 H ATOM 1047 N THR A 121 16.662 -13.176 23.367 1.00 19.05 N ATOM 1048 CA THR A 121 17.869 -12.575 23.928 1.00 18.06 C ATOM 1049 C THR A 121 17.997 -11.103 23.565 1.00 21.19 C ATOM 1050 O THR A 121 18.859 -10.403 24.099 1.00 23.06 O ATOM 1051 CB THR A 121 19.124 -13.300 23.435 1.00 19.33 C ATOM 1052 OG1 THR A 121 19.171 -13.259 22.003 1.00 20.09 O ATOM 1053 CG2 THR A 121 19.104 -14.750 23.891 1.00 22.69 C ATOM 1054 HG1 THR A 121 19.983 -13.728 21.687 1.00 0.00 H ATOM 1055 H THR A 121 16.736 -13.685 22.463 1.00 0.00 H ATOM 1056 N GLY A 122 17.148 -10.643 22.646 1.00 16.40 N ATOM 1057 CA GLY A 122 17.191 -9.265 22.176 1.00 17.05 C ATOM 1058 C GLY A 122 18.094 -9.097 20.967 1.00 17.87 C ATOM 1059 O GLY A 122 18.234 -8.001 20.427 1.00 21.70 O ATOM 1060 H GLY A 122 16.433 -11.288 22.253 1.00 0.00 H ATOM 1061 N GLN A 123 18.740 -10.185 20.570 1.00 14.89 N ATOM 1062 CA GLN A 123 19.530 -10.229 19.347 1.00 16.01 C ATOM 1063 C GLN A 123 18.587 -10.522 18.173 1.00 16.50 C ATOM 1064 O GLN A 123 17.608 -11.252 18.338 1.00 18.93 O ATOM 1065 CB GLN A 123 20.583 -11.326 19.500 1.00 22.21 C ATOM 1066 CG GLN A 123 21.408 -11.659 18.279 1.00 27.38 C ATOM 1067 CD GLN A 123 22.197 -12.945 18.472 1.00 29.63 C ATOM 1068 OE1 GLN A 123 22.239 -13.501 19.572 1.00 39.55 O ATOM 1069 NE2 GLN A 123 22.808 -13.433 17.400 1.00 31.04 N ATOM 1070 HE22 GLN A 123 22.746 -12.930 16.492 1.00 0.00 H ATOM 1071 HE21 GLN A 123 23.349 -14.318 17.468 1.00 0.00 H ATOM 1072 H GLN A 123 18.680 -11.042 21.156 1.00 0.00 H ATOM 1073 N TYR A 124 18.847 -9.957 16.993 1.00 14.18 N ATOM 1074 CA TYR A 124 17.997 -10.289 15.841 1.00 13.62 C ATOM 1075 C TYR A 124 18.092 -11.775 15.455 1.00 15.12 C ATOM 1076 O TYR A 124 19.103 -12.441 15.706 1.00 14.82 O ATOM 1077 CB TYR A 124 18.245 -9.352 14.640 1.00 15.41 C ATOM 1078 CG TYR A 124 19.410 -9.712 13.738 1.00 14.76 C ATOM 1079 CD1 TYR A 124 19.289 -10.700 12.774 1.00 14.00 C ATOM 1080 CD2 TYR A 124 20.625 -9.043 13.840 1.00 16.15 C ATOM 1081 CE1 TYR A 124 20.335 -11.029 11.947 1.00 15.38 C ATOM 1082 CE2 TYR A 124 21.679 -9.357 13.008 1.00 18.83 C ATOM 1083 CZ TYR A 124 21.524 -10.354 12.063 1.00 15.63 C ATOM 1084 OH TYR A 124 22.558 -10.689 11.217 1.00 17.32 O ATOM 1085 HH TYR A 124 22.266 -11.417 10.613 1.00 0.00 H ATOM 1086 H TYR A 124 19.639 -9.291 16.890 1.00 0.00 H ATOM 1087 N LYS A 125 17.013 -12.291 14.874 1.00 15.23 N ATOM 1088 CA LYS A 125 16.958 -13.672 14.425 1.00 15.62 C ATOM 1089 C LYS A 125 17.270 -13.734 12.932 1.00 14.71 C ATOM 1090 O LYS A 125 16.698 -12.971 12.145 1.00 15.73 O ATOM 1091 CB LYS A 125 15.561 -14.233 14.708 1.00 13.28 C ATOM 1092 CG LYS A 125 15.475 -15.735 14.638 1.00 14.84 C ATOM 1093 CD LYS A 125 14.207 -16.220 15.305 1.00 15.81 C ATOM 1094 CE LYS A 125 14.131 -17.727 15.261 1.00 19.05 C ATOM 1095 NZ LYS A 125 12.879 -18.254 15.885 1.00 16.60 N ATOM 1096 HZ1 LYS A 125 12.839 -17.959 16.882 1.00 0.00 H ATOM 1097 HZ2 LYS A 125 12.054 -17.876 15.377 1.00 0.00 H ATOM 1098 HZ3 LYS A 125 12.876 -19.292 15.829 1.00 0.00 H ATOM 1099 H LYS A 125 16.179 -11.685 14.736 1.00 0.00 H ATOM 1100 N LEU A 126 18.199 -14.608 12.538 1.00 13.71 N ATOM 1101 CA LEU A 126 18.561 -14.751 11.120 1.00 14.64 C ATOM 1102 C LEU A 126 17.301 -15.039 10.297 1.00 17.21 C ATOM 1103 O LEU A 126 16.495 -15.874 10.683 1.00 16.71 O ATOM 1104 CB LEU A 126 19.599 -15.863 10.932 1.00 16.96 C ATOM 1105 CG LEU A 126 20.515 -15.836 9.705 1.00 22.44 C ATOM 1106 CD1 LEU A 126 21.462 -14.632 9.741 1.00 20.25 C ATOM 1107 CD2 LEU A 126 21.322 -17.126 9.613 1.00 28.62 C ATOM 1108 H LEU A 126 18.676 -15.199 13.248 1.00 0.00 H ATOM 1109 N GLY A 127 17.126 -14.318 9.190 1.00 16.47 N ATOM 1110 CA GLY A 127 15.926 -14.419 8.369 1.00 16.25 C ATOM 1111 C GLY A 127 15.592 -15.841 7.964 1.00 17.25 C ATOM 1112 O GLY A 127 14.421 -16.237 7.951 1.00 15.64 O ATOM 1113 H GLY A 127 17.875 -13.657 8.901 1.00 0.00 H ATOM 1114 N SER A 128 16.629 -16.614 7.655 1.00 17.63 N ATOM 1115 CA SER A 128 16.459 -17.994 7.210 1.00 20.42 C ATOM 1116 C SER A 128 15.928 -18.916 8.310 1.00 20.10 C ATOM 1117 O SER A 128 15.555 -20.064 8.043 1.00 20.16 O ATOM 1118 CB SER A 128 17.783 -18.531 6.674 1.00 23.81 C ATOM 1119 OG SER A 128 18.787 -18.469 7.666 1.00 25.96 O ATOM 1120 HG SER A 128 19.636 -18.822 7.298 1.00 0.00 H ATOM 1121 H SER A 128 17.590 -16.224 7.733 1.00 0.00 H ATOM 1122 N LYS A 129 15.888 -18.425 9.545 1.00 16.95 N ATOM 1123 CA LYS A 129 15.384 -19.211 10.666 1.00 18.93 C ATOM 1124 C LYS A 129 13.983 -18.796 11.111 1.00 17.86 C ATOM 1125 O LYS A 129 13.466 -19.301 12.106 1.00 17.35 O ATOM 1126 CB LYS A 129 16.354 -19.106 11.843 1.00 17.88 C ATOM 1127 CG LYS A 129 17.764 -19.587 11.510 1.00 24.09 C ATOM 1128 CD LYS A 129 18.599 -19.811 12.750 1.00 28.35 C ATOM 1129 CE LYS A 129 20.014 -20.239 12.373 1.00 38.46 C ATOM 1130 NZ LYS A 129 20.846 -20.574 13.571 1.00 42.76 N ATOM 1131 HZ1 LYS A 129 20.915 -19.739 14.188 1.00 0.00 H ATOM 1132 HZ2 LYS A 129 20.401 -21.356 14.093 1.00 0.00 H ATOM 1133 HZ3 LYS A 129 21.797 -20.859 13.262 1.00 0.00 H ATOM 1134 H LYS A 129 16.225 -17.456 9.716 1.00 0.00 H ATOM 1135 N THR A 130 13.378 -17.867 10.377 1.00 14.52 N ATOM 1136 CA THR A 130 12.078 -17.318 10.744 1.00 12.51 C ATOM 1137 C THR A 130 10.964 -17.949 9.909 1.00 14.82 C ATOM 1138 O THR A 130 11.234 -18.594 8.899 1.00 18.08 O ATOM 1139 CB THR A 130 12.040 -15.788 10.498 1.00 13.79 C ATOM 1140 OG1 THR A 130 12.072 -15.525 9.087 1.00 14.31 O ATOM 1141 CG2 THR A 130 13.219 -15.099 11.149 1.00 16.42 C ATOM 1142 HG1 THR A 130 12.903 -15.900 8.701 1.00 0.00 H ATOM 1143 H THR A 130 13.846 -17.521 9.515 1.00 0.00 H ATOM 1144 N GLY A 131 9.717 -17.750 10.332 1.00 14.50 N ATOM 1145 CA GLY A 131 8.560 -18.184 9.558 1.00 12.17 C ATOM 1146 C GLY A 131 7.275 -18.010 10.343 1.00 15.36 C ATOM 1147 O GLY A 131 7.300 -17.724 11.541 1.00 16.90 O ATOM 1148 H GLY A 131 9.564 -17.270 11.242 1.00 0.00 H ATOM 1149 N PRO A 132 6.128 -18.203 9.679 1.00 15.06 N ATOM 1150 CA PRO A 132 4.824 -18.068 10.339 1.00 16.91 C ATOM 1151 C PRO A 132 4.664 -18.994 11.537 1.00 18.53 C ATOM 1152 O PRO A 132 5.066 -20.165 11.484 1.00 19.78 O ATOM 1153 CB PRO A 132 3.833 -18.497 9.249 1.00 19.91 C ATOM 1154 CG PRO A 132 4.568 -18.308 7.960 1.00 23.33 C ATOM 1155 CD PRO A 132 6.003 -18.600 8.267 1.00 21.26 C ATOM 1156 N GLY A 133 4.053 -18.478 12.598 1.00 17.93 N ATOM 1157 CA GLY A 133 3.832 -19.242 13.809 1.00 19.84 C ATOM 1158 C GLY A 133 4.827 -18.882 14.896 1.00 17.60 C ATOM 1159 O GLY A 133 4.597 -19.159 16.078 1.00 22.48 O ATOM 1160 H GLY A 133 3.722 -17.493 12.558 1.00 0.00 H ATOM 1161 N GLN A 134 5.935 -18.260 14.496 1.00 14.18 N ATOM 1162 CA GLN A 134 6.942 -17.826 15.464 1.00 16.65 C ATOM 1163 C GLN A 134 6.564 -16.501 16.104 1.00 17.14 C ATOM 1164 O GLN A 134 6.068 -15.591 15.437 1.00 15.26 O ATOM 1165 CB GLN A 134 8.319 -17.679 14.809 1.00 14.97 C ATOM 1166 CG GLN A 134 8.945 -18.964 14.328 1.00 13.06 C ATOM 1167 CD GLN A 134 10.340 -18.747 13.791 1.00 15.65 C ATOM 1168 OE1 GLN A 134 10.882 -17.643 13.888 1.00 13.90 O ATOM 1169 NE2 GLN A 134 10.928 -19.782 13.218 1.00 14.61 N ATOM 1170 HE22 GLN A 134 10.432 -20.694 13.159 1.00 0.00 H ATOM 1171 HE21 GLN A 134 11.886 -19.684 12.826 1.00 0.00 H ATOM 1172 H GLN A 134 6.086 -18.081 13.483 1.00 0.00 H ATOM 1173 N LYS A 135 6.815 -16.398 17.402 1.00 15.93 N ATOM 1174 CA LYS A 135 6.599 -15.166 18.136 1.00 14.63 C ATOM 1175 C LYS A 135 7.576 -14.100 17.653 1.00 13.05 C ATOM 1176 O LYS A 135 7.275 -12.913 17.679 1.00 12.90 O ATOM 1177 CB LYS A 135 6.858 -15.438 19.614 1.00 19.19 C ATOM 1178 CG LYS A 135 5.926 -14.746 20.579 1.00 25.06 C ATOM 1179 CD LYS A 135 5.717 -15.660 21.783 1.00 28.26 C ATOM 1180 CE LYS A 135 4.750 -15.079 22.784 1.00 35.10 C ATOM 1181 NZ LYS A 135 4.827 -15.834 24.070 1.00 33.49 N ATOM 1182 HZ1 LYS A 135 4.585 -16.831 23.900 1.00 0.00 H ATOM 1183 HZ2 LYS A 135 5.793 -15.770 24.451 1.00 0.00 H ATOM 1184 HZ3 LYS A 135 4.157 -15.425 24.752 1.00 0.00 H ATOM 1185 H LYS A 135 7.179 -17.229 17.911 1.00 0.00 H ATOM 1186 N ALA A 136 8.748 -14.552 17.211 1.00 16.63 N ATOM 1187 CA ALA A 136 9.858 -13.667 16.843 1.00 13.81 C ATOM 1188 C ALA A 136 9.508 -12.656 15.762 1.00 14.05 C ATOM 1189 O ALA A 136 10.114 -11.590 15.697 1.00 12.38 O ATOM 1190 CB ALA A 136 11.082 -14.474 16.416 1.00 13.10 C ATOM 1191 H ALA A 136 8.882 -15.580 17.123 1.00 0.00 H ATOM 1192 N ILE A 137 8.549 -13.000 14.906 1.00 13.63 N ATOM 1193 CA ILE A 137 8.246 -12.184 13.730 1.00 11.41 C ATOM 1194 C ILE A 137 7.110 -11.186 13.970 1.00 12.53 C ATOM 1195 O ILE A 137 6.727 -10.443 13.070 1.00 12.55 O ATOM 1196 CB ILE A 137 7.905 -13.076 12.508 1.00 12.51 C ATOM 1197 CG1 ILE A 137 6.536 -13.738 12.669 1.00 12.18 C ATOM 1198 CG2 ILE A 137 9.007 -14.109 12.268 1.00 13.53 C ATOM 1199 CD1 ILE A 137 6.050 -14.434 11.386 1.00 14.01 C ATOM 1200 H ILE A 137 8.003 -13.868 15.077 1.00 0.00 H ATOM 1201 N LEU A 138 6.548 -11.181 15.174 1.00 11.40 N ATOM 1202 CA LEU A 138 5.343 -10.384 15.412 1.00 12.71 C ATOM 1203 C LEU A 138 5.666 -9.046 16.055 1.00 14.47 C ATOM 1204 O LEU A 138 6.310 -9.008 17.106 1.00 14.28 O ATOM 1205 CB LEU A 138 4.366 -11.151 16.296 1.00 12.87 C ATOM 1206 CG LEU A 138 3.877 -12.489 15.749 1.00 14.14 C ATOM 1207 CD1 LEU A 138 3.088 -13.232 16.819 1.00 17.27 C ATOM 1208 CD2 LEU A 138 3.037 -12.314 14.489 1.00 14.59 C ATOM 1209 H LEU A 138 6.963 -11.742 15.945 1.00 0.00 H ATOM 1210 N PHE A 139 5.212 -7.956 15.435 1.00 13.43 N ATOM 1211 CA PHE A 139 5.489 -6.612 15.961 1.00 12.56 C ATOM 1212 C PHE A 139 4.225 -5.760 16.055 1.00 17.38 C ATOM 1213 O PHE A 139 3.358 -5.829 15.180 1.00 20.30 O ATOM 1214 CB PHE A 139 6.499 -5.869 15.073 1.00 14.83 C ATOM 1215 CG PHE A 139 7.858 -6.497 15.036 1.00 13.79 C ATOM 1216 CD1 PHE A 139 8.119 -7.555 14.177 1.00 12.50 C ATOM 1217 CD2 PHE A 139 8.885 -6.017 15.843 1.00 11.69 C ATOM 1218 CE1 PHE A 139 9.367 -8.146 14.126 1.00 11.94 C ATOM 1219 CE2 PHE A 139 10.151 -6.602 15.805 1.00 13.27 C ATOM 1220 CZ PHE A 139 10.398 -7.668 14.951 1.00 13.02 C ATOM 1221 H PHE A 139 4.652 -8.059 14.564 1.00 0.00 H ATOM 1222 N LEU A 140 4.127 -4.949 17.109 1.00 17.51 N ATOM 1223 CA LEU A 140 3.074 -3.935 17.209 1.00 18.75 C ATOM 1224 C LEU A 140 3.706 -2.573 17.044 1.00 17.88 C ATOM 1225 O LEU A 140 4.495 -2.167 17.888 1.00 18.18 O ATOM 1226 CB LEU A 140 2.430 -3.930 18.594 1.00 21.72 C ATOM 1227 CG LEU A 140 1.547 -5.026 19.154 1.00 29.52 C ATOM 1228 CD1 LEU A 140 1.149 -4.659 20.578 1.00 33.45 C ATOM 1229 CD2 LEU A 140 0.323 -5.241 18.284 1.00 26.23 C ATOM 1230 H LEU A 140 4.817 -5.039 17.882 1.00 0.00 H ATOM 1231 N PRO A 141 3.366 -1.850 15.969 1.00 17.59 N ATOM 1232 CA PRO A 141 3.852 -0.470 15.884 1.00 17.31 C ATOM 1233 C PRO A 141 3.135 0.416 16.891 1.00 23.65 C ATOM 1234 O PRO A 141 1.924 0.277 17.083 1.00 24.54 O ATOM 1235 CB PRO A 141 3.476 -0.038 14.461 1.00 21.37 C ATOM 1236 CG PRO A 141 3.186 -1.298 13.728 1.00 20.99 C ATOM 1237 CD PRO A 141 2.652 -2.259 14.751 1.00 18.68 C ATOM 1238 N MET A 142 3.882 1.310 17.534 1.00 21.03 N ATOM 1239 CA MET A 142 3.306 2.247 18.487 1.00 22.82 C ATOM 1240 C MET A 142 3.936 3.607 18.248 1.00 26.69 C ATOM 1241 O MET A 142 5.027 3.696 17.687 1.00 22.46 O ATOM 1242 CB MET A 142 3.608 1.824 19.926 1.00 24.85 C ATOM 1243 CG MET A 142 3.602 0.328 20.195 1.00 28.54 C ATOM 1244 SD MET A 142 4.125 -0.052 21.878 1.00 36.26 S ATOM 1245 CE MET A 142 3.313 -1.625 22.121 1.00 37.50 C ATOM 1246 H MET A 142 4.905 1.340 17.351 1.00 0.00 H ATOM 1247 N SER A 143 3.253 4.663 18.680 1.00 30.80 N ATOM 1248 CA SER A 143 3.806 6.011 18.591 1.00 33.98 C ATOM 1249 C SER A 143 4.893 6.188 19.641 1.00 29.31 C ATOM 1250 O SER A 143 4.814 5.609 20.728 1.00 34.40 O ATOM 1251 CB SER A 143 2.710 7.062 18.785 1.00 36.82 C ATOM 1252 OG SER A 143 3.189 8.356 18.464 1.00 45.35 O ATOM 1253 HG SER A 143 2.464 9.017 18.597 1.00 0.00 H ATOM 1254 H SER A 143 2.307 4.526 19.089 1.00 0.00 H TER 1255 SER A 143 HETATM 1256 O HOH 1 19.490 -16.576 14.560 1.00 19.66 O HETATM 1257 O HOH 2 15.162 -10.971 10.901 1.00 14.55 O HETATM 1258 O HOH 3 21.278 -8.427 17.009 1.00 17.15 O HETATM 1259 O HOH 4 22.768 -5.859 12.470 1.00 17.80 O HETATM 1260 O HOH 5 16.038 6.160 15.798 1.00 15.96 O HETATM 1261 O HOH 6 4.593 -9.592 6.302 1.00 19.05 O HETATM 1262 O HOH 7 18.663 -1.902 -5.496 1.00 31.95 O HETATM 1263 O HOH 8 3.441 -11.231 4.547 1.00 21.30 O HETATM 1264 O HOH 9 -6.081 -8.688 10.944 1.00 20.14 O HETATM 1265 O HOH 10 8.198 -9.822 10.882 1.00 13.19 O HETATM 1266 O HOH 11 14.833 9.250 23.567 1.00 24.61 O HETATM 1267 O HOH 12 18.058 4.886 14.492 1.00 15.59 O HETATM 1268 O HOH 13 17.573 5.010 26.623 1.00 21.09 O HETATM 1269 O HOH 14 11.423 0.327 17.417 1.00 16.09 O HETATM 1270 O HOH 15 -2.733 -13.856 9.739 1.00 21.89 O HETATM 1271 O HOH 16 14.125 -0.209 5.034 1.00 16.29 O HETATM 1272 O HOH 17 26.267 3.004 16.546 1.00 23.61 O HETATM 1273 O HOH 18 -2.414 -6.197 6.064 1.00 25.19 O HETATM 1274 O HOH 19 16.787 -4.560 26.839 1.00 23.59 O HETATM 1275 O HOH 20 21.779 -12.835 14.749 1.00 24.17 O HETATM 1276 O HOH 21 3.700 -15.842 13.909 1.00 21.28 O HETATM 1277 O HOH 22 -6.955 -9.968 16.439 1.00 23.06 O HETATM 1278 O HOH 23 16.677 -19.143 17.620 1.00 24.61 O HETATM 1279 O HOH 24 16.287 10.780 10.326 1.00 21.67 O HETATM 1280 O HOH 25 11.065 -21.566 17.990 1.00 29.61 O HETATM 1281 O HOH 26 13.564 -20.863 15.352 1.00 26.28 O HETATM 1282 O HOH 27 10.819 1.582 29.146 1.00 32.36 O HETATM 1283 O HOH 28 13.045 -12.607 26.983 1.00 35.59 O HETATM 1284 O HOH 29 12.701 -5.251 -3.080 1.00 24.02 O HETATM 1285 O HOH 30 12.586 6.378 21.987 1.00 27.60 O HETATM 1286 O HOH 31 20.745 7.693 4.626 1.00 25.55 O HETATM 1287 O HOH 32 5.575 -16.919 4.847 1.00 32.04 O HETATM 1288 O HOH 33 13.524 3.601 28.994 1.00 28.03 O HETATM 1289 O HOH 34 19.112 1.197 25.594 1.00 31.95 O HETATM 1290 O HOH 35 13.703 -16.209 1.309 1.00 24.56 O HETATM 1291 O HOH 36 21.022 -1.535 1.402 1.00 30.33 O HETATM 1292 O HOH 37 -1.681 -3.416 6.324 1.00 39.58 O HETATM 1293 O HOH 38 16.246 -18.137 24.217 1.00 30.03 O HETATM 1294 O HOH 39 11.568 4.388 5.531 1.00 21.12 O HETATM 1295 O HOH 40 6.171 -21.611 9.836 1.00 22.59 O HETATM 1296 O HOH 41 9.233 3.352 1.058 1.00 25.94 O HETATM 1297 O HOH 42 16.840 -16.847 21.889 1.00 23.33 O HETATM 1298 O HOH 43 0.316 1.476 14.664 1.00 33.77 O HETATM 1299 O HOH 44 22.931 -9.798 0.179 1.00 28.02 O HETATM 1300 O HOH 45 12.632 9.080 22.309 1.00 37.16 O HETATM 1301 O HOH 46 23.951 -5.329 18.475 1.00 27.78 O HETATM 1302 O HOH 47 3.052 -13.206 6.598 1.00 26.25 O HETATM 1303 O HOH 48 6.271 5.908 10.200 1.00 33.77 O HETATM 1304 O HOH 49 24.444 2.938 19.257 1.00 29.10 O HETATM 1305 O HOH 50 13.740 -6.240 0.436 1.00 26.02 O HETATM 1306 O HOH 51 20.711 2.525 21.937 1.00 33.66 O HETATM 1307 O HOH 52 12.821 -14.158 -2.800 1.00 34.91 O HETATM 1308 O HOH 53 21.534 -4.026 -1.194 1.00 32.35 O HETATM 1309 O HOH 54 7.448 -17.230 25.218 1.00 31.97 O HETATM 1310 O HOH 55 -0.766 -2.862 9.097 1.00 33.01 O HETATM 1311 O HOH 56 22.672 -8.058 19.463 1.00 27.74 O HETATM 1312 O HOH 57 9.236 -3.396 26.422 1.00 37.22 O HETATM 1313 O HOH 58 24.143 7.526 11.289 1.00 33.02 O HETATM 1314 O HOH 59 6.666 6.844 -0.719 1.00 36.42 O HETATM 1315 O HOH 60 5.958 7.487 -2.855 1.00 36.62 O HETATM 1316 O HOH 61 21.378 -0.320 25.560 1.00 27.59 O HETATM 1317 O HOH 62 21.446 -18.025 6.223 1.00 37.03 O HETATM 1318 O HOH 63 13.868 8.476 3.863 1.00 31.78 O HETATM 1319 O HOH 64 13.625 -21.331 28.341 1.00 30.80 O HETATM 1320 O HOH 65 27.367 -7.560 3.504 1.00 34.30 O HETATM 1321 O HOH 66 6.537 -17.083 0.501 1.00 41.68 O HETATM 1322 O HOH 67 -0.408 -15.389 18.111 1.00 45.43 O HETATM 1323 O HOH 68 15.629 -7.996 1.879 1.00 22.98 O HETATM 1324 O HOH 69 23.059 -3.186 2.086 1.00 39.99 O HETATM 1325 O HOH 70 0.806 1.235 12.105 1.00 39.94 O HETATM 1326 O HOH 71 4.128 6.582 3.481 1.00 35.14 O HETATM 1327 O HOH 72 7.841 -13.334 25.174 1.00 30.66 O HETATM 1328 O HOH 73 1.929 -6.826 2.081 1.00 28.10 O HETATM 1329 O HOH 74 8.136 -18.118 5.343 1.00 28.95 O HETATM 1330 O HOH 75 8.889 -15.034 -4.348 1.00 33.44 O HETATM 1331 O HOH 76 26.176 -0.752 5.914 1.00 42.82 O HETATM 1332 O HOH 77 1.241 -16.294 14.978 1.00 35.17 O HETATM 1333 O HOH 78 24.929 -11.659 2.203 1.00 35.84 O HETATM 1334 O HOH 79 8.922 4.616 -0.745 1.00 33.60 O HETATM 1335 O HOH 80 1.978 -10.001 2.415 1.00 27.02 O HETATM 1336 O HOH 81 5.568 10.300 9.651 1.00 45.96 O HETATM 1337 O HOH 82 16.375 -24.528 8.332 1.00 33.97 O HETATM 1338 O HOH 83 18.272 -18.654 15.721 1.00 35.39 O HETATM 1339 O HOH 84 16.462 -22.565 9.382 1.00 29.95 O HETATM 1340 O HOH 85 -2.765 -15.842 15.996 1.00 37.19 O HETATM 1341 O HOH 86 26.986 -1.985 11.107 1.00 36.35 O HETATM 1342 O HOH 87 8.288 -17.359 -0.852 1.00 40.33 O HETATM 1343 O HOH 88 3.099 1.666 7.811 1.00 38.22 O HETATM 1344 O HOH 89 22.270 -5.182 -2.987 1.00 40.59 O HETATM 1345 O HOH 90 25.565 1.822 4.193 1.00 30.14 O HETATM 1346 O HOH 91 22.761 9.530 4.541 1.00 36.51 O HETATM 1347 O HOH 92 8.934 6.117 22.058 1.00 41.20 O HETATM 1348 O HOH 93 4.882 8.608 13.015 1.00 41.99 O HETATM 1349 O HOH 94 12.127 -11.767 -4.673 1.00 38.95 O HETATM 1350 O HOH 95 -2.190 -14.584 13.334 1.00 29.85 O HETATM 1351 O HOH 96 -0.246 0.525 -4.368 1.00 35.27 O HETATM 1352 O HOH 97 29.663 6.606 8.442 1.00 44.05 O HETATM 1353 O HOH 98 0.275 -3.115 5.259 1.00 30.91 O HETATM 1354 O HOH 99 -0.309 0.198 18.836 1.00 37.34 O HETATM 1355 O HOH 100 19.144 -21.395 8.327 1.00 34.29 O HETATM 1356 O HOH 101 0.410 -3.346 -3.422 1.00 36.43 O HETATM 1357 O HOH 102 1.969 1.313 5.501 1.00 37.77 O HETATM 1358 O HOH 103 18.132 3.243 -4.494 1.00 38.55 O HETATM 1359 O HOH 104 27.276 5.807 10.088 1.00 35.89 O HETATM 1360 N SUS A 105 13.520 -18.825 19.874 1.00 -0.27 N HETATM 1361 S1 SUS A 105 13.955 -17.365 19.597 1.00 -0.12 S HETATM 1362 O1S SUS A 105 13.617 -16.524 20.756 1.00 -0.47 O HETATM 1363 O2S SUS A 105 15.413 -17.390 19.370 1.00 -0.47 O HETATM 1364 O3S SUS A 105 13.223 -16.899 18.397 1.00 -0.47 O HETATM 1365 C2 SUS A 105 14.201 -19.565 20.956 1.00 0.12 C HETATM 1366 C1 SUS A 105 13.405 -19.316 22.242 1.00 0.18 C HETATM 1367 O5 SUS A 105 13.959 -20.070 23.333 1.00 -0.34 O HETATM 1368 C5 SUS A 105 13.889 -21.478 23.104 1.00 0.12 C HETATM 1369 C4 SUS A 105 14.738 -21.822 21.890 1.00 0.11 C HETATM 1370 C3 SUS A 105 14.258 -21.071 20.651 1.00 0.14 C HETATM 1371 O3 SUS A 105 15.177 -21.313 19.587 1.00 -0.26 O HETATM 1372 S3 SUS A 105 14.842 -22.257 18.425 1.00 -0.07 S HETATM 1373 O7S SUS A 105 15.641 -23.491 18.599 1.00 -0.46 O HETATM 1374 O8S SUS A 105 13.398 -22.556 18.469 1.00 -0.46 O HETATM 1375 O9S SUS A 105 15.173 -21.622 17.133 1.00 -0.46 O HETATM 1376 H SUS A 105 13.257 -21.427 20.365 1.00 0.07 H HETATM 1377 O4 SUS A 105 14.708 -23.237 21.668 1.00 -0.39 O HETATM 1378 H SUS A 105 15.276 -23.454 20.938 1.00 0.21 H HETATM 1379 H SUS A 105 15.776 -21.521 22.094 1.00 0.06 H HETATM 1380 C6 SUS A 105 14.436 -22.193 24.330 1.00 0.10 C HETATM 1381 O6 SUS A 105 15.746 -21.678 24.534 1.00 -0.26 O HETATM 1382 S2 SUS A 105 16.750 -22.450 25.392 1.00 -0.07 S HETATM 1383 O4S SUS A 105 16.904 -23.798 24.794 1.00 -0.46 O HETATM 1384 O5S SUS A 105 18.042 -21.740 25.400 1.00 -0.46 O HETATM 1385 O6S SUS A 105 16.200 -22.542 26.759 1.00 -0.46 O HETATM 1386 H SUS A 105 14.475 -23.278 24.154 1.00 0.06 H HETATM 1387 H SUS A 105 13.804 -21.987 25.206 1.00 0.06 H HETATM 1388 H SUS A 105 12.846 -21.780 22.928 1.00 0.06 H HETATM 1389 O4 SUS A 105 12.028 -19.701 22.170 1.00 -0.34 O HETATM 1390 C4 SUS A 105 11.111 -18.914 22.940 1.00 0.13 C HETATM 1391 C3 SUS A 105 10.575 -17.771 22.083 1.00 0.12 C HETATM 1392 C2 SUS A 105 9.574 -18.228 21.020 1.00 0.16 C HETATM 1393 C1 SUS A 105 8.591 -19.287 21.527 1.00 0.19 C HETATM 1394 O1 SUS A 105 7.578 -18.647 22.299 1.00 -0.35 O HETATM 1395 C7 SUS A 105 6.414 -19.464 22.424 1.00 0.04 C HETATM 1396 H SUS A 105 5.658 -18.936 23.024 1.00 0.05 H HETATM 1397 H SUS A 105 6.681 -20.409 22.919 1.00 0.05 H HETATM 1398 H SUS A 105 6.006 -19.676 21.425 1.00 0.05 H HETATM 1399 O5 SUS A 105 9.259 -20.297 22.298 1.00 -0.33 O HETATM 1400 C5 SUS A 105 9.961 -19.784 23.428 1.00 0.14 C HETATM 1401 C6 SUS A 105 10.512 -20.919 24.233 1.00 0.07 C HETATM 1402 O61 SUS A 105 10.089 -22.071 24.004 1.00 -0.57 O HETATM 1403 O62 SUS A 105 11.376 -20.665 25.097 1.00 -0.57 O HETATM 1404 H SUS A 105 9.278 -19.186 24.049 1.00 0.08 H HETATM 1405 H SUS A 105 8.120 -19.772 20.659 1.00 0.09 H HETATM 1406 O2 SUS A 105 10.257 -18.726 19.863 1.00 -0.25 O HETATM 1407 S SUS A 105 9.761 -18.340 18.461 1.00 -0.07 S HETATM 1408 OS1 SUS A 105 10.627 -19.050 17.499 1.00 -0.46 O HETATM 1409 OS2 SUS A 105 9.862 -16.876 18.362 1.00 -0.46 O HETATM 1410 OS3 SUS A 105 8.360 -18.817 18.345 1.00 -0.46 O HETATM 1411 H SUS A 105 8.988 -17.347 20.720 1.00 0.07 H HETATM 1412 O3 SUS A 105 9.938 -16.824 22.943 1.00 -0.39 O HETATM 1413 H SUS A 105 9.649 -16.077 22.431 1.00 0.21 H HETATM 1414 H SUS A 105 11.423 -17.289 21.575 1.00 0.07 H HETATM 1415 H SUS A 105 11.638 -18.495 23.810 1.00 0.07 H HETATM 1416 H SUS A 105 13.461 -18.241 22.470 1.00 0.09 H HETATM 1417 H SUS A 105 15.227 -19.185 21.073 1.00 0.06 H HETATM 1418 H SUS A 105 12.797 -19.256 19.334 1.00 0.16 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1360 1361 1365 1418 CONECT 1361 1360 1362 1363 1364 CONECT 1362 1361 CONECT 1363 1361 CONECT 1364 1361 CONECT 1365 1360 1366 1370 1417 CONECT 1366 1365 1367 1389 1416 CONECT 1367 1366 1368 CONECT 1368 1367 1369 1380 1388 CONECT 1369 1368 1370 1377 1379 CONECT 1370 1365 1369 1371 1376 CONECT 1371 1370 1372 CONECT 1372 1371 1373 1374 1375 CONECT 1373 1372 CONECT 1374 1372 CONECT 1375 1372 CONECT 1376 1370 CONECT 1377 1369 1378 CONECT 1378 1377 CONECT 1379 1369 CONECT 1380 1368 1381 1386 1387 CONECT 1381 1380 1382 CONECT 1382 1381 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 CONECT 1386 1380 CONECT 1387 1380 CONECT 1388 1368 CONECT 1389 1366 1390 CONECT 1390 1389 1391 1400 1415 CONECT 1391 1390 1392 1412 1414 CONECT 1392 1391 1393 1406 1411 CONECT 1393 1392 1394 1399 1405 CONECT 1394 1393 1395 CONECT 1395 1394 1396 1397 1398 CONECT 1396 1395 CONECT 1397 1395 CONECT 1398 1395 CONECT 1399 1393 1400 CONECT 1400 1390 1399 1401 1404 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1400 CONECT 1405 1393 CONECT 1406 1392 1407 CONECT 1407 1406 1408 1409 1410 CONECT 1408 1407 CONECT 1409 1407 CONECT 1410 1407 CONECT 1411 1392 CONECT 1412 1391 1413 CONECT 1413 1412 CONECT 1414 1391 CONECT 1415 1390 CONECT 1416 1366 CONECT 1417 1365 CONECT 1418 1360 MASTER 0 0 0 0 0 0 0 0 1417 1 62 10 END
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Structure:
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Protein
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Related entries of code: 4oeg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4oee
RCSB PDB
PDBbind
155aa, >4OEE_1|Chain... *
4oef
RCSB PDB
PDBbind
155aa, >4OEF_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3uda
RCSB PDB
PDBbind
SUS-IDY
Entry Information
PDB ID
4oeg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fibroblast growth factor 2 FGF2
Ligand Name
SUS-IDY
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=9.01uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 1712-1717
Ligand Properties
Formula
C
1
3
H
3
1
NO
2
3
S
4
Molecular Weight
697.638
Exact Mass
697.017
No. of atoms
72
No. of bonds
73
Polar Surface Area
498.36
LOGP Value
-5.11 (
Computed with XLOGP3
)
-0.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 2
Canonical SMILES
CO[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1OS(O)(O)O)O)O[C@H]1O[C@H](COS(O)(O)O)[C@H]([C@@H]([C@H]1NS(O)(O)O)OS(O)(O)O)O
InChI String
InChI=1S/C13H31NO23S4/c1-31-13-9(37-41(28,29)30)6(16)8(10(35-13)11(17)18)34-12-4(14-38(19,20)21)7(36-40(25,26)27)5(15)3(33-12)2-32-39(22,23)24/h3-10,12-16,19-30H,2H2,1H3,(H,17,18)/t3-,4-,5-,6+,7-,8+,9-,10-,12-,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P09038
Entrez Gene ID
NCBI Entrez Gene ID:
2247
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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