Browse entries in the PDBbind-CN Database
HEADER 4ZYF_COMPLEX COMPND 4ZYF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 93 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 93 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 93 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 93 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 93 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 93 GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU SEQRES 7 A 93 HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL SEQRES 8 A 93 VAL VAL HET UNN A 159 95 ATOM 1 N GLN A 18 -1.030 -4.503 11.116 1.00 40.59 N ATOM 2 CA GLN A 18 -1.199 -4.523 9.632 1.00 40.36 C ATOM 3 C GLN A 18 0.155 -4.565 8.931 1.00 39.95 C ATOM 4 O GLN A 18 1.063 -3.805 9.266 1.00 39.85 O ATOM 5 CB GLN A 18 -2.012 -3.313 9.155 1.00 40.64 C ATOM 6 CG GLN A 18 -2.389 -3.341 7.669 1.00 41.09 C ATOM 7 CD GLN A 18 -3.482 -4.350 7.346 1.00 42.71 C ATOM 8 OE1 GLN A 18 -4.596 -4.260 7.861 1.00 43.09 O ATOM 9 NE2 GLN A 18 -3.167 -5.312 6.480 1.00 42.73 N ATOM 10 HE22 GLN A 18 -2.212 -5.350 6.069 1.00 0.00 H ATOM 11 HE21 GLN A 18 -3.876 -6.025 6.215 1.00 0.00 H ATOM 12 HN3 GLN A 18 -0.484 -3.661 11.390 1.00 0.00 H ATOM 13 HN2 GLN A 18 -0.523 -5.360 11.418 1.00 0.00 H ATOM 14 HN1 GLN A 18 -1.965 -4.474 11.570 1.00 0.00 H ATOM 15 N ILE A 19 0.260 -5.454 7.946 1.00 39.45 N ATOM 16 CA ILE A 19 1.503 -5.730 7.228 1.00 38.95 C ATOM 17 C ILE A 19 2.050 -4.491 6.508 1.00 38.29 C ATOM 18 O ILE A 19 1.312 -3.813 5.793 1.00 38.21 O ATOM 19 CB ILE A 19 1.317 -6.923 6.232 1.00 39.13 C ATOM 20 CG1 ILE A 19 1.112 -8.237 6.991 1.00 39.52 C ATOM 21 CG2 ILE A 19 2.513 -7.077 5.304 1.00 38.98 C ATOM 22 CD1 ILE A 19 -0.329 -8.568 7.306 1.00 40.25 C ATOM 23 H ILE A 19 -0.592 -5.983 7.671 1.00 0.00 H ATOM 24 N PRO A 20 3.349 -4.189 6.713 1.00 37.74 N ATOM 25 CA PRO A 20 4.038 -3.093 6.040 1.00 37.27 C ATOM 26 C PRO A 20 3.868 -3.152 4.526 1.00 36.92 C ATOM 27 O PRO A 20 3.994 -4.225 3.929 1.00 36.88 O ATOM 28 CB PRO A 20 5.503 -3.331 6.412 1.00 37.44 C ATOM 29 CG PRO A 20 5.436 -3.968 7.739 1.00 37.48 C ATOM 30 CD PRO A 20 4.228 -4.860 7.690 1.00 37.60 C ATOM 31 N ALA A 21 3.581 -1.999 3.924 1.00 36.42 N ATOM 32 CA ALA A 21 3.356 -1.892 2.483 1.00 36.00 C ATOM 33 C ALA A 21 4.575 -2.332 1.668 1.00 35.61 C ATOM 34 O ALA A 21 4.438 -2.741 0.509 1.00 35.44 O ATOM 35 CB ALA A 21 2.959 -0.475 2.114 1.00 36.18 C ATOM 36 H ALA A 21 3.514 -1.138 4.504 1.00 0.00 H ATOM 37 N SER A 22 5.754 -2.248 2.284 1.00 34.87 N ATOM 38 CA SER A 22 7.011 -2.638 1.639 1.00 34.25 C ATOM 39 C SER A 22 7.042 -4.104 1.227 1.00 33.62 C ATOM 40 O SER A 22 7.688 -4.450 0.239 1.00 33.46 O ATOM 41 CB SER A 22 8.213 -2.340 2.545 1.00 34.21 C ATOM 42 OG SER A 22 8.071 -2.957 3.818 1.00 34.23 O ATOM 43 HG SER A 22 8.861 -2.745 4.376 1.00 0.00 H ATOM 44 H SER A 22 5.783 -1.892 3.261 1.00 0.00 H ATOM 45 N GLU A 23 6.354 -4.958 1.990 1.00 33.23 N ATOM 46 CA GLU A 23 6.360 -6.406 1.738 1.00 32.72 C ATOM 47 C GLU A 23 5.816 -6.793 0.366 1.00 32.21 C ATOM 48 O GLU A 23 6.260 -7.783 -0.211 1.00 31.98 O ATOM 49 CB GLU A 23 5.625 -7.181 2.837 1.00 32.70 C ATOM 50 CG GLU A 23 6.407 -7.299 4.150 1.00 33.64 C ATOM 51 CD GLU A 23 5.894 -8.406 5.071 1.00 33.50 C ATOM 52 OE1 GLU A 23 5.386 -9.429 4.572 1.00 34.44 O ATOM 53 OE2 GLU A 23 6.018 -8.260 6.305 1.00 33.78 O ATOM 54 H GLU A 23 5.797 -4.587 2.786 1.00 0.00 H ATOM 55 N GLN A 24 4.875 -6.018 -0.167 1.00 31.65 N ATOM 56 CA GLN A 24 4.319 -6.340 -1.488 1.00 31.20 C ATOM 57 C GLN A 24 5.265 -6.016 -2.660 1.00 30.43 C ATOM 58 O GLN A 24 5.027 -6.427 -3.800 1.00 30.14 O ATOM 59 CB GLN A 24 2.916 -5.750 -1.682 1.00 31.65 C ATOM 60 CG GLN A 24 2.849 -4.247 -1.868 1.00 32.69 C ATOM 61 CD GLN A 24 1.417 -3.752 -2.012 1.00 35.27 C ATOM 62 OE1 GLN A 24 0.536 -4.091 -1.210 1.00 35.97 O ATOM 63 NE2 GLN A 24 1.178 -2.948 -3.038 1.00 35.59 N ATOM 64 HE22 GLN A 24 1.949 -2.690 -3.687 1.00 0.00 H ATOM 65 HE21 GLN A 24 0.220 -2.575 -3.195 1.00 0.00 H ATOM 66 H GLN A 24 4.533 -5.184 0.352 1.00 0.00 H ATOM 67 N GLU A 25 6.340 -5.288 -2.367 1.00 29.39 N ATOM 68 CA GLU A 25 7.348 -4.984 -3.379 1.00 28.59 C ATOM 69 C GLU A 25 8.450 -6.047 -3.449 1.00 27.22 C ATOM 70 O GLU A 25 9.308 -5.994 -4.330 1.00 27.16 O ATOM 71 CB GLU A 25 7.924 -3.575 -3.170 1.00 29.30 C ATOM 72 CG GLU A 25 6.879 -2.484 -3.437 1.00 31.31 C ATOM 73 CD GLU A 25 7.429 -1.078 -3.349 1.00 34.48 C ATOM 74 OE1 GLU A 25 6.775 -0.156 -3.895 1.00 36.01 O ATOM 75 OE2 GLU A 25 8.504 -0.893 -2.740 1.00 36.35 O ATOM 76 H GLU A 25 6.465 -4.929 -1.399 1.00 0.00 H ATOM 77 N THR A 26 8.398 -7.015 -2.531 1.00 25.75 N ATOM 78 CA THR A 26 9.362 -8.115 -2.462 1.00 24.18 C ATOM 79 C THR A 26 9.393 -8.929 -3.762 1.00 23.38 C ATOM 80 O THR A 26 8.348 -9.320 -4.282 1.00 23.09 O ATOM 81 CB THR A 26 9.040 -9.044 -1.265 1.00 24.60 C ATOM 82 OG1 THR A 26 9.112 -8.291 -0.044 1.00 24.56 O ATOM 83 CG2 THR A 26 10.002 -10.228 -1.203 1.00 23.57 C ATOM 84 HG1 THR A 26 8.906 -8.885 0.721 1.00 0.00 H ATOM 85 H THR A 26 7.632 -6.986 -1.828 1.00 0.00 H ATOM 86 N LEU A 27 10.600 -9.172 -4.272 1.00 22.17 N ATOM 87 CA LEU A 27 10.804 -9.923 -5.505 1.00 21.43 C ATOM 88 C LEU A 27 10.874 -11.396 -5.198 1.00 20.13 C ATOM 89 O LEU A 27 11.636 -11.818 -4.325 1.00 19.44 O ATOM 90 CB LEU A 27 12.109 -9.505 -6.184 1.00 21.79 C ATOM 91 CG LEU A 27 12.302 -8.004 -6.393 1.00 23.71 C ATOM 92 CD1 LEU A 27 13.720 -7.711 -6.865 1.00 23.72 C ATOM 93 CD2 LEU A 27 11.286 -7.461 -7.372 1.00 24.68 C ATOM 94 H LEU A 27 11.434 -8.810 -3.768 1.00 0.00 H ATOM 95 N VAL A 28 10.085 -12.176 -5.934 1.00 19.19 N ATOM 96 CA VAL A 28 9.931 -13.586 -5.626 1.00 18.51 C ATOM 97 C VAL A 28 9.936 -14.486 -6.859 1.00 18.55 C ATOM 98 O VAL A 28 9.551 -14.068 -7.960 1.00 18.68 O ATOM 99 CB VAL A 28 8.651 -13.835 -4.773 1.00 18.49 C ATOM 100 CG1 VAL A 28 8.684 -12.994 -3.497 1.00 18.23 C ATOM 101 CG2 VAL A 28 7.386 -13.524 -5.577 1.00 18.07 C ATOM 102 H VAL A 28 9.571 -11.769 -6.742 1.00 0.00 H ATOM 103 N ARG A 29 10.385 -15.721 -6.647 1.00 18.75 N ATOM 104 CA ARG A 29 10.402 -16.767 -7.660 1.00 19.77 C ATOM 105 C ARG A 29 9.547 -17.949 -7.169 1.00 19.23 C ATOM 106 O ARG A 29 9.957 -18.690 -6.270 1.00 19.50 O ATOM 107 CB ARG A 29 11.846 -17.208 -7.925 1.00 20.33 C ATOM 108 CG ARG A 29 12.021 -18.170 -9.082 1.00 24.47 C ATOM 109 CD ARG A 29 13.502 -18.426 -9.358 1.00 30.97 C ATOM 110 NE ARG A 29 14.193 -17.217 -9.803 1.00 35.71 N ATOM 111 CZ ARG A 29 14.683 -17.035 -11.027 1.00 38.08 C ATOM 112 NH1 ARG A 29 14.585 -17.995 -11.948 1.00 38.97 N ATOM 113 NH2 ARG A 29 15.289 -15.892 -11.328 1.00 39.40 N ATOM 114 HE ARG A 29 14.310 -16.446 -9.115 1.00 0.00 H ATOM 115 HH12 ARG A 29 14.971 -17.842 -12.901 1.00 0.00 H ATOM 116 HH11 ARG A 29 14.122 -18.896 -11.713 1.00 0.00 H ATOM 117 HH22 ARG A 29 15.674 -15.743 -12.283 1.00 0.00 H ATOM 118 HH21 ARG A 29 15.378 -15.146 -10.609 1.00 0.00 H ATOM 119 H ARG A 29 10.746 -15.953 -5.700 1.00 0.00 H ATOM 120 N PRO A 30 8.344 -18.117 -7.751 1.00 18.85 N ATOM 121 CA PRO A 30 7.418 -19.161 -7.315 1.00 18.32 C ATOM 122 C PRO A 30 7.994 -20.557 -7.501 1.00 17.97 C ATOM 123 O PRO A 30 8.661 -20.835 -8.503 1.00 17.54 O ATOM 124 CB PRO A 30 6.204 -18.959 -8.233 1.00 18.25 C ATOM 125 CG PRO A 30 6.291 -17.520 -8.635 1.00 19.82 C ATOM 126 CD PRO A 30 7.759 -17.290 -8.821 1.00 18.61 C ATOM 127 N LYS A 31 7.746 -21.415 -6.518 1.00 17.55 N ATOM 128 CA LYS A 31 8.042 -22.834 -6.617 1.00 17.60 C ATOM 129 C LYS A 31 7.133 -23.471 -7.681 1.00 17.82 C ATOM 130 O LYS A 31 6.154 -22.847 -8.092 1.00 16.92 O ATOM 131 CB LYS A 31 7.868 -23.488 -5.250 1.00 17.76 C ATOM 132 CG LYS A 31 8.901 -23.030 -4.219 1.00 16.96 C ATOM 133 CD LYS A 31 8.723 -23.759 -2.881 1.00 19.18 C ATOM 134 CE LYS A 31 9.631 -23.158 -1.826 1.00 20.12 C ATOM 135 NZ LYS A 31 9.324 -23.646 -0.454 1.00 22.21 N ATOM 136 HZ1 LYS A 31 8.344 -23.397 -0.210 1.00 0.00 H ATOM 137 HZ2 LYS A 31 9.439 -24.679 -0.421 1.00 0.00 H ATOM 138 HZ3 LYS A 31 9.975 -23.202 0.224 1.00 0.00 H ATOM 139 H LYS A 31 7.322 -21.056 -5.639 1.00 0.00 H ATOM 140 N PRO A 32 7.455 -24.702 -8.138 1.00 18.06 N ATOM 141 CA PRO A 32 6.742 -25.249 -9.309 1.00 18.34 C ATOM 142 C PRO A 32 5.203 -25.310 -9.225 1.00 18.41 C ATOM 143 O PRO A 32 4.542 -24.974 -10.216 1.00 18.24 O ATOM 144 CB PRO A 32 7.370 -26.638 -9.482 1.00 18.75 C ATOM 145 CG PRO A 32 8.793 -26.424 -8.986 1.00 19.23 C ATOM 146 CD PRO A 32 8.593 -25.562 -7.756 1.00 18.11 C ATOM 147 N LEU A 33 4.635 -25.717 -8.088 1.00 18.20 N ATOM 148 CA LEU A 33 3.157 -25.778 -7.971 1.00 17.82 C ATOM 149 C LEU A 33 2.498 -24.394 -8.046 1.00 17.15 C ATOM 150 O LEU A 33 1.519 -24.198 -8.775 1.00 16.30 O ATOM 151 CB LEU A 33 2.700 -26.541 -6.720 1.00 18.77 C ATOM 152 CG LEU A 33 2.918 -28.062 -6.732 1.00 20.93 C ATOM 153 CD1 LEU A 33 2.508 -28.699 -5.410 1.00 23.86 C ATOM 154 CD2 LEU A 33 2.177 -28.732 -7.903 1.00 22.84 C ATOM 155 H LEU A 33 5.230 -25.992 -7.281 1.00 0.00 H ATOM 156 N LEU A 34 3.051 -23.428 -7.317 1.00 15.82 N ATOM 157 CA LEU A 34 2.559 -22.053 -7.395 1.00 15.94 C ATOM 158 C LEU A 34 2.715 -21.521 -8.820 1.00 16.04 C ATOM 159 O LEU A 34 1.823 -20.847 -9.339 1.00 15.46 O ATOM 160 CB LEU A 34 3.297 -21.140 -6.399 1.00 15.55 C ATOM 161 CG LEU A 34 2.939 -19.642 -6.411 1.00 15.71 C ATOM 162 CD1 LEU A 34 1.418 -19.398 -6.273 1.00 17.24 C ATOM 163 CD2 LEU A 34 3.709 -18.873 -5.328 1.00 16.60 C ATOM 164 H LEU A 34 3.844 -23.654 -6.683 1.00 0.00 H ATOM 165 N LEU A 35 3.844 -21.830 -9.452 1.00 16.52 N ATOM 166 CA LEU A 35 4.076 -21.375 -10.827 1.00 17.49 C ATOM 167 C LEU A 35 2.999 -21.916 -11.777 1.00 17.30 C ATOM 168 O LEU A 35 2.458 -21.183 -12.600 1.00 16.51 O ATOM 169 CB LEU A 35 5.493 -21.738 -11.298 1.00 18.21 C ATOM 170 CG LEU A 35 5.880 -21.216 -12.686 1.00 19.46 C ATOM 171 CD1 LEU A 35 5.651 -19.707 -12.799 1.00 21.66 C ATOM 172 CD2 LEU A 35 7.344 -21.567 -12.962 1.00 21.44 C ATOM 173 H LEU A 35 4.568 -22.399 -8.968 1.00 0.00 H ATOM 174 N LYS A 36 2.670 -23.189 -11.613 1.00 18.15 N ATOM 175 CA LYS A 36 1.614 -23.836 -12.383 1.00 19.08 C ATOM 176 C LYS A 36 0.272 -23.113 -12.217 1.00 19.17 C ATOM 177 O LYS A 36 -0.417 -22.824 -13.204 1.00 19.14 O ATOM 178 CB LYS A 36 1.507 -25.298 -11.961 1.00 19.80 C ATOM 179 CG LYS A 36 0.410 -26.074 -12.653 1.00 21.90 C ATOM 180 CD LYS A 36 0.180 -27.386 -11.936 1.00 25.42 C ATOM 181 CE LYS A 36 -1.082 -28.050 -12.451 1.00 26.53 C ATOM 182 NZ LYS A 36 -0.889 -28.507 -13.861 1.00 27.97 N ATOM 183 HZ1 LYS A 36 -0.666 -27.688 -14.462 1.00 0.00 H ATOM 184 HZ2 LYS A 36 -0.106 -29.190 -13.899 1.00 0.00 H ATOM 185 HZ3 LYS A 36 -1.762 -28.960 -14.200 1.00 0.00 H ATOM 186 H LYS A 36 3.186 -23.750 -10.906 1.00 0.00 H ATOM 187 N LEU A 37 -0.084 -22.794 -10.973 1.00 19.26 N ATOM 188 CA LEU A 37 -1.304 -22.054 -10.689 1.00 19.66 C ATOM 189 C LEU A 37 -1.261 -20.664 -11.320 1.00 19.58 C ATOM 190 O LEU A 37 -2.215 -20.249 -11.987 1.00 19.53 O ATOM 191 CB LEU A 37 -1.548 -21.963 -9.174 1.00 20.06 C ATOM 192 CG LEU A 37 -2.957 -21.597 -8.704 1.00 22.21 C ATOM 193 CD1 LEU A 37 -3.207 -22.132 -7.294 1.00 22.95 C ATOM 194 CD2 LEU A 37 -3.154 -20.094 -8.760 1.00 23.42 C ATOM 195 H LEU A 37 0.528 -23.082 -10.183 1.00 0.00 H ATOM 196 N LEU A 38 -0.157 -19.945 -11.123 1.00 19.00 N ATOM 197 CA LEU A 38 -0.029 -18.603 -11.695 1.00 19.40 C ATOM 198 C LEU A 38 -0.170 -18.604 -13.223 1.00 19.70 C ATOM 199 O LEU A 38 -0.815 -17.725 -13.788 1.00 19.96 O ATOM 200 CB LEU A 38 1.293 -17.948 -11.270 1.00 19.25 C ATOM 201 CG LEU A 38 1.450 -17.577 -9.789 1.00 19.29 C ATOM 202 CD1 LEU A 38 2.874 -17.143 -9.516 1.00 18.72 C ATOM 203 CD2 LEU A 38 0.472 -16.465 -9.390 1.00 19.64 C ATOM 204 H LEU A 38 0.621 -20.340 -10.558 1.00 0.00 H ATOM 205 N LYS A 39 0.421 -19.593 -13.887 1.00 20.80 N ATOM 206 CA LYS A 39 0.353 -19.663 -15.348 1.00 21.81 C ATOM 207 C LYS A 39 -1.082 -19.914 -15.844 1.00 21.77 C ATOM 208 O LYS A 39 -1.421 -19.552 -16.969 1.00 21.46 O ATOM 209 CB LYS A 39 1.347 -20.683 -15.904 1.00 22.39 C ATOM 210 CG LYS A 39 2.802 -20.254 -15.704 1.00 24.69 C ATOM 211 CD LYS A 39 3.776 -20.943 -16.644 1.00 28.76 C ATOM 212 CE LYS A 39 5.193 -20.410 -16.388 1.00 30.24 C ATOM 213 NZ LYS A 39 6.173 -20.794 -17.450 1.00 32.05 N ATOM 214 HZ1 LYS A 39 6.234 -21.831 -17.505 1.00 0.00 H ATOM 215 HZ2 LYS A 39 5.857 -20.415 -18.365 1.00 0.00 H ATOM 216 HZ3 LYS A 39 7.108 -20.403 -17.216 1.00 0.00 H ATOM 217 H LYS A 39 0.938 -20.326 -13.362 1.00 0.00 H ATOM 218 N SER A 40 -1.927 -20.484 -14.984 1.00 22.21 N ATOM 219 CA SER A 40 -3.326 -20.729 -15.337 1.00 22.52 C ATOM 220 C SER A 40 -4.170 -19.449 -15.277 1.00 22.72 C ATOM 221 O SER A 40 -5.317 -19.436 -15.739 1.00 22.91 O ATOM 222 CB SER A 40 -3.935 -21.858 -14.479 1.00 22.16 C ATOM 223 OG SER A 40 -4.295 -21.402 -13.186 1.00 22.31 O ATOM 224 HG SER A 40 -3.490 -21.059 -12.723 1.00 0.00 H ATOM 225 H SER A 40 -1.584 -20.760 -14.042 1.00 0.00 H ATOM 226 N VAL A 41 -3.605 -18.382 -14.714 1.00 22.96 N ATOM 227 CA VAL A 41 -4.272 -17.082 -14.659 1.00 23.99 C ATOM 228 C VAL A 41 -3.507 -15.996 -15.432 1.00 25.02 C ATOM 229 O VAL A 41 -3.845 -14.812 -15.362 1.00 25.08 O ATOM 230 CB VAL A 41 -4.614 -16.622 -13.209 1.00 24.56 C ATOM 231 CG1 VAL A 41 -5.823 -17.392 -12.682 1.00 24.26 C ATOM 232 CG2 VAL A 41 -3.416 -16.767 -12.272 1.00 24.03 C ATOM 233 H VAL A 41 -2.656 -18.477 -14.299 1.00 0.00 H ATOM 234 N GLY A 42 -2.485 -16.420 -16.171 1.00 26.11 N ATOM 235 CA GLY A 42 -1.874 -15.576 -17.206 1.00 27.46 C ATOM 236 C GLY A 42 -0.407 -15.262 -17.050 1.00 28.43 C ATOM 237 O GLY A 42 0.182 -14.580 -17.895 1.00 28.02 O ATOM 238 H GLY A 42 -2.108 -17.376 -16.011 1.00 0.00 H ATOM 239 N ALA A 43 0.182 -15.763 -15.973 1.00 29.35 N ATOM 240 CA ALA A 43 1.557 -15.432 -15.625 1.00 30.82 C ATOM 241 C ALA A 43 2.520 -15.939 -16.691 1.00 31.58 C ATOM 242 O ALA A 43 2.372 -17.058 -17.201 1.00 32.35 O ATOM 243 CB ALA A 43 1.905 -16.002 -14.264 1.00 30.42 C ATOM 244 H ALA A 43 -0.353 -16.410 -15.360 1.00 0.00 H ATOM 245 N GLN A 44 3.491 -15.102 -17.037 1.00 32.35 N ATOM 246 CA GLN A 44 4.486 -15.451 -18.052 1.00 32.82 C ATOM 247 C GLN A 44 5.928 -15.327 -17.569 1.00 32.35 C ATOM 248 O GLN A 44 6.852 -15.510 -18.354 1.00 32.59 O ATOM 249 CB GLN A 44 4.307 -14.572 -19.294 1.00 33.19 C ATOM 250 CG GLN A 44 3.049 -14.848 -20.086 1.00 34.61 C ATOM 251 CD GLN A 44 3.206 -14.528 -21.559 1.00 36.89 C ATOM 252 OE1 GLN A 44 4.166 -13.876 -21.972 1.00 38.87 O ATOM 253 NE2 GLN A 44 2.260 -14.990 -22.362 1.00 37.94 N ATOM 254 HE22 GLN A 44 1.467 -15.536 -21.970 1.00 0.00 H ATOM 255 HE21 GLN A 44 2.310 -14.806 -23.384 1.00 0.00 H ATOM 256 H GLN A 44 3.546 -14.172 -16.574 1.00 0.00 H ATOM 257 N LYS A 45 6.117 -15.040 -16.283 1.00 32.15 N ATOM 258 CA LYS A 45 7.408 -14.549 -15.790 1.00 32.07 C ATOM 259 C LYS A 45 8.215 -15.546 -14.966 1.00 31.96 C ATOM 260 O LYS A 45 7.682 -16.518 -14.433 1.00 32.06 O ATOM 261 CB LYS A 45 7.204 -13.294 -14.943 1.00 32.01 C ATOM 262 CG LYS A 45 6.614 -12.099 -15.648 1.00 32.92 C ATOM 263 CD LYS A 45 6.032 -11.165 -14.606 1.00 33.77 C ATOM 264 CE LYS A 45 6.592 -9.772 -14.740 1.00 34.94 C ATOM 265 NZ LYS A 45 6.759 -9.156 -13.398 1.00 34.97 N ATOM 266 HZ1 LYS A 45 5.835 -9.108 -12.922 1.00 0.00 H ATOM 267 HZ2 LYS A 45 7.413 -9.734 -12.832 1.00 0.00 H ATOM 268 HZ3 LYS A 45 7.146 -8.196 -13.504 1.00 0.00 H ATOM 269 H LYS A 45 5.332 -15.167 -15.613 1.00 0.00 H ATOM 270 N ASP A 46 9.512 -15.267 -14.866 1.00 31.87 N ATOM 271 CA ASP A 46 10.417 -15.976 -13.973 1.00 31.64 C ATOM 272 C ASP A 46 10.345 -15.389 -12.559 1.00 30.60 C ATOM 273 O ASP A 46 10.444 -16.119 -11.565 1.00 30.59 O ATOM 274 CB ASP A 46 11.850 -15.871 -14.507 1.00 32.43 C ATOM 275 CG ASP A 46 12.297 -14.428 -14.717 1.00 34.55 C ATOM 276 OD1 ASP A 46 11.464 -13.587 -15.135 1.00 37.74 O ATOM 277 OD2 ASP A 46 13.483 -14.123 -14.452 1.00 37.39 O ATOM 278 H ASP A 46 9.899 -14.503 -15.456 1.00 0.00 H ATOM 279 N THR A 47 10.163 -14.071 -12.491 1.00 29.06 N ATOM 280 CA THR A 47 10.205 -13.318 -11.244 1.00 27.77 C ATOM 281 C THR A 47 8.994 -12.390 -11.178 1.00 26.66 C ATOM 282 O THR A 47 8.599 -11.797 -12.185 1.00 26.39 O ATOM 283 CB THR A 47 11.518 -12.506 -11.140 1.00 27.86 C ATOM 284 OG1 THR A 47 12.631 -13.394 -11.282 1.00 29.03 O ATOM 285 CG2 THR A 47 11.630 -11.786 -9.794 1.00 28.48 C ATOM 286 HG1 THR A 47 12.585 -13.841 -12.164 1.00 0.00 H ATOM 287 H THR A 47 9.981 -13.552 -13.374 1.00 0.00 H ATOM 288 N TYR A 48 8.408 -12.282 -9.989 1.00 24.95 N ATOM 289 CA TYR A 48 7.242 -11.444 -9.749 1.00 23.87 C ATOM 290 C TYR A 48 7.463 -10.594 -8.518 1.00 23.31 C ATOM 291 O TYR A 48 8.365 -10.854 -7.723 1.00 22.32 O ATOM 292 CB TYR A 48 6.007 -12.320 -9.484 1.00 23.90 C ATOM 293 CG TYR A 48 5.647 -13.257 -10.604 1.00 23.54 C ATOM 294 CD1 TYR A 48 6.259 -14.500 -10.719 1.00 23.02 C ATOM 295 CD2 TYR A 48 4.685 -12.903 -11.550 1.00 23.97 C ATOM 296 CE1 TYR A 48 5.932 -15.362 -11.753 1.00 23.52 C ATOM 297 CE2 TYR A 48 4.346 -13.763 -12.578 1.00 23.93 C ATOM 298 CZ TYR A 48 4.973 -14.990 -12.672 1.00 23.63 C ATOM 299 OH TYR A 48 4.643 -15.840 -13.698 1.00 24.87 O ATOM 300 HH TYR A 48 5.178 -16.670 -13.622 1.00 0.00 H ATOM 301 H TYR A 48 8.802 -12.822 -9.192 1.00 0.00 H ATOM 302 N THR A 49 6.627 -9.578 -8.344 1.00 22.66 N ATOM 303 CA THR A 49 6.520 -8.965 -7.039 1.00 22.16 C ATOM 304 C THR A 49 5.435 -9.699 -6.259 1.00 21.72 C ATOM 305 O THR A 49 4.556 -10.349 -6.849 1.00 21.48 O ATOM 306 CB THR A 49 6.163 -7.482 -7.119 1.00 22.63 C ATOM 307 OG1 THR A 49 4.928 -7.343 -7.820 1.00 22.52 O ATOM 308 CG2 THR A 49 7.265 -6.696 -7.843 1.00 22.74 C ATOM 309 HG1 THR A 49 4.218 -7.834 -7.335 1.00 0.00 H ATOM 310 H THR A 49 6.055 -9.226 -9.138 1.00 0.00 H ATOM 311 N MET A 50 5.509 -9.597 -4.936 1.00 21.21 N ATOM 312 CA MET A 50 4.489 -10.127 -4.046 1.00 21.24 C ATOM 313 C MET A 50 3.118 -9.557 -4.399 1.00 21.19 C ATOM 314 O MET A 50 2.122 -10.277 -4.388 1.00 20.36 O ATOM 315 CB MET A 50 4.860 -9.835 -2.586 1.00 21.51 C ATOM 316 CG MET A 50 3.964 -10.490 -1.527 1.00 22.78 C ATOM 317 SD MET A 50 3.832 -12.308 -1.601 1.00 27.53 S ATOM 318 CE MET A 50 5.349 -12.765 -2.389 1.00 23.78 C ATOM 319 H MET A 50 6.332 -9.117 -4.519 1.00 0.00 H ATOM 320 N LYS A 51 3.079 -8.272 -4.741 1.00 21.22 N ATOM 321 CA LYS A 51 1.844 -7.655 -5.210 1.00 21.52 C ATOM 322 C LYS A 51 1.236 -8.395 -6.407 1.00 21.21 C ATOM 323 O LYS A 51 0.044 -8.686 -6.386 1.00 21.89 O ATOM 324 CB LYS A 51 2.060 -6.179 -5.527 1.00 21.97 C ATOM 325 CG LYS A 51 0.832 -5.465 -6.050 1.00 24.08 C ATOM 326 CD LYS A 51 1.192 -4.043 -6.443 1.00 26.75 C ATOM 327 CE LYS A 51 -0.003 -3.285 -6.998 1.00 29.13 C ATOM 328 NZ LYS A 51 -0.407 -3.814 -8.328 1.00 31.70 N ATOM 329 HZ1 LYS A 51 0.386 -3.717 -8.994 1.00 0.00 H ATOM 330 HZ2 LYS A 51 -0.664 -4.818 -8.237 1.00 0.00 H ATOM 331 HZ3 LYS A 51 -1.225 -3.276 -8.680 1.00 0.00 H ATOM 332 H LYS A 51 3.944 -7.698 -4.673 1.00 0.00 H ATOM 333 N GLU A 52 2.047 -8.690 -7.429 1.00 20.38 N ATOM 334 CA GLU A 52 1.610 -9.479 -8.592 1.00 20.15 C ATOM 335 C GLU A 52 1.076 -10.859 -8.184 1.00 19.48 C ATOM 336 O GLU A 52 0.022 -11.296 -8.664 1.00 19.43 O ATOM 337 CB GLU A 52 2.741 -9.652 -9.614 1.00 20.23 C ATOM 338 CG GLU A 52 2.979 -8.451 -10.532 1.00 22.27 C ATOM 339 CD GLU A 52 4.090 -8.701 -11.531 1.00 26.55 C ATOM 340 OE1 GLU A 52 5.192 -9.127 -11.116 1.00 25.79 O ATOM 341 OE2 GLU A 52 3.857 -8.478 -12.741 1.00 30.03 O ATOM 342 H GLU A 52 3.028 -8.347 -7.401 1.00 0.00 H ATOM 343 N VAL A 53 1.798 -11.537 -7.294 1.00 18.40 N ATOM 344 CA VAL A 53 1.385 -12.873 -6.841 1.00 17.80 C ATOM 345 C VAL A 53 0.026 -12.819 -6.148 1.00 17.17 C ATOM 346 O VAL A 53 -0.860 -13.653 -6.404 1.00 16.32 O ATOM 347 CB VAL A 53 2.427 -13.495 -5.888 1.00 17.93 C ATOM 348 CG1 VAL A 53 1.930 -14.833 -5.333 1.00 18.07 C ATOM 349 CG2 VAL A 53 3.762 -13.671 -6.614 1.00 17.33 C ATOM 350 H VAL A 53 2.669 -11.114 -6.913 1.00 0.00 H ATOM 351 N LEU A 54 -0.125 -11.842 -5.262 1.00 16.87 N ATOM 352 CA LEU A 54 -1.370 -11.640 -4.540 1.00 16.88 C ATOM 353 C LEU A 54 -2.529 -11.397 -5.498 1.00 17.24 C ATOM 354 O LEU A 54 -3.596 -11.997 -5.348 1.00 17.37 O ATOM 355 CB LEU A 54 -1.230 -10.484 -3.548 1.00 17.03 C ATOM 356 CG LEU A 54 -0.454 -10.810 -2.271 1.00 17.04 C ATOM 357 CD1 LEU A 54 0.057 -9.519 -1.620 1.00 19.22 C ATOM 358 CD2 LEU A 54 -1.310 -11.614 -1.303 1.00 19.21 C ATOM 359 H LEU A 54 0.673 -11.201 -5.079 1.00 0.00 H ATOM 360 N PHE A 55 -2.316 -10.540 -6.497 1.00 17.59 N ATOM 361 CA PHE A 55 -3.367 -10.266 -7.475 1.00 17.65 C ATOM 362 C PHE A 55 -3.722 -11.443 -8.392 1.00 17.15 C ATOM 363 O PHE A 55 -4.905 -11.668 -8.645 1.00 16.82 O ATOM 364 CB PHE A 55 -3.080 -8.981 -8.257 1.00 18.72 C ATOM 365 CG PHE A 55 -3.534 -7.740 -7.532 1.00 21.25 C ATOM 366 CD1 PHE A 55 -4.866 -7.315 -7.616 1.00 23.82 C ATOM 367 CD2 PHE A 55 -2.647 -7.008 -6.755 1.00 23.10 C ATOM 368 CE1 PHE A 55 -5.300 -6.171 -6.941 1.00 24.49 C ATOM 369 CE2 PHE A 55 -3.073 -5.856 -6.081 1.00 24.94 C ATOM 370 CZ PHE A 55 -4.405 -5.442 -6.170 1.00 25.24 C ATOM 371 H PHE A 55 -1.396 -10.063 -6.581 1.00 0.00 H ATOM 372 N TYR A 56 -2.727 -12.205 -8.853 1.00 16.68 N ATOM 373 CA TYR A 56 -2.992 -13.427 -9.638 1.00 16.86 C ATOM 374 C TYR A 56 -3.748 -14.486 -8.829 1.00 16.36 C ATOM 375 O TYR A 56 -4.707 -15.085 -9.332 1.00 16.35 O ATOM 376 CB TYR A 56 -1.703 -14.041 -10.199 1.00 17.50 C ATOM 377 CG TYR A 56 -1.137 -13.324 -11.402 1.00 20.16 C ATOM 378 CD1 TYR A 56 -1.895 -13.154 -12.564 1.00 25.14 C ATOM 379 CD2 TYR A 56 0.165 -12.834 -11.387 1.00 24.28 C ATOM 380 CE1 TYR A 56 -1.366 -12.494 -13.678 1.00 27.18 C ATOM 381 CE2 TYR A 56 0.700 -12.165 -12.491 1.00 26.50 C ATOM 382 CZ TYR A 56 -0.066 -12.004 -13.628 1.00 28.11 C ATOM 383 OH TYR A 56 0.474 -11.351 -14.714 1.00 30.27 O ATOM 384 HH TYR A 56 1.278 -11.838 -15.024 1.00 0.00 H ATOM 385 H TYR A 56 -1.743 -11.932 -8.655 1.00 0.00 H ATOM 386 N LEU A 57 -3.314 -14.712 -7.588 1.00 15.45 N ATOM 387 CA LEU A 57 -4.017 -15.641 -6.693 1.00 15.26 C ATOM 388 C LEU A 57 -5.424 -15.146 -6.389 1.00 15.25 C ATOM 389 O LEU A 57 -6.366 -15.941 -6.321 1.00 14.15 O ATOM 390 CB LEU A 57 -3.241 -15.879 -5.399 1.00 15.60 C ATOM 391 CG LEU A 57 -2.015 -16.788 -5.531 1.00 16.25 C ATOM 392 CD1 LEU A 57 -1.240 -16.818 -4.226 1.00 18.01 C ATOM 393 CD2 LEU A 57 -2.439 -18.193 -5.906 1.00 19.02 C ATOM 394 H LEU A 57 -2.462 -14.222 -7.248 1.00 0.00 H ATOM 395 N GLY A 58 -5.564 -13.832 -6.203 1.00 15.53 N ATOM 396 CA GLY A 58 -6.894 -13.224 -6.054 1.00 16.01 C ATOM 397 C GLY A 58 -7.793 -13.530 -7.246 1.00 16.02 C ATOM 398 O GLY A 58 -8.939 -13.970 -7.070 1.00 16.59 O ATOM 399 H GLY A 58 -4.718 -13.228 -6.163 1.00 0.00 H ATOM 400 N GLN A 59 -7.279 -13.316 -8.455 1.00 16.24 N ATOM 401 CA GLN A 59 -8.059 -13.584 -9.667 1.00 16.56 C ATOM 402 C GLN A 59 -8.384 -15.063 -9.821 1.00 15.72 C ATOM 403 O GLN A 59 -9.454 -15.408 -10.306 1.00 15.31 O ATOM 404 CB GLN A 59 -7.399 -13.031 -10.929 1.00 17.67 C ATOM 405 CG GLN A 59 -7.547 -11.502 -11.090 1.00 22.01 C ATOM 406 CD GLN A 59 -8.995 -10.996 -11.085 1.00 24.87 C ATOM 407 OE1 GLN A 59 -9.281 -9.938 -10.517 1.00 29.45 O ATOM 408 NE2 GLN A 59 -9.905 -11.744 -11.703 1.00 26.64 N ATOM 409 HE22 GLN A 59 -9.621 -12.629 -12.169 1.00 0.00 H ATOM 410 HE21 GLN A 59 -10.901 -11.444 -11.720 1.00 0.00 H ATOM 411 H GLN A 59 -6.308 -12.953 -8.541 1.00 0.00 H ATOM 412 N TYR A 60 -7.478 -15.928 -9.369 1.00 14.04 N ATOM 413 CA TYR A 60 -7.716 -17.374 -9.402 1.00 13.24 C ATOM 414 C TYR A 60 -8.930 -17.720 -8.531 1.00 13.29 C ATOM 415 O TYR A 60 -9.858 -18.433 -8.956 1.00 13.80 O ATOM 416 CB TYR A 60 -6.454 -18.103 -8.923 1.00 12.67 C ATOM 417 CG TYR A 60 -6.562 -19.613 -8.904 1.00 12.12 C ATOM 418 CD1 TYR A 60 -6.265 -20.367 -10.041 1.00 13.32 C ATOM 419 CD2 TYR A 60 -6.920 -20.284 -7.734 1.00 12.14 C ATOM 420 CE1 TYR A 60 -6.353 -21.754 -10.026 1.00 12.73 C ATOM 421 CE2 TYR A 60 -7.018 -21.670 -7.699 1.00 11.39 C ATOM 422 CZ TYR A 60 -6.723 -22.397 -8.851 1.00 12.98 C ATOM 423 OH TYR A 60 -6.822 -23.762 -8.824 1.00 14.67 O ATOM 424 HH TYR A 60 -6.581 -24.127 -9.712 1.00 0.00 H ATOM 425 H TYR A 60 -6.581 -15.569 -8.984 1.00 0.00 H ATOM 426 N ILE A 61 -8.925 -17.196 -7.313 1.00 12.81 N ATOM 427 CA ILE A 61 -10.009 -17.409 -6.365 1.00 13.50 C ATOM 428 C ILE A 61 -11.332 -16.874 -6.941 1.00 14.25 C ATOM 429 O ILE A 61 -12.352 -17.550 -6.877 1.00 13.65 O ATOM 430 CB ILE A 61 -9.672 -16.749 -5.009 1.00 13.21 C ATOM 431 CG1 ILE A 61 -8.533 -17.539 -4.330 1.00 13.63 C ATOM 432 CG2 ILE A 61 -10.926 -16.667 -4.096 1.00 13.82 C ATOM 433 CD1 ILE A 61 -7.820 -16.758 -3.209 1.00 12.66 C ATOM 434 H ILE A 61 -8.116 -16.610 -7.024 1.00 0.00 H ATOM 435 N MET A 62 -11.282 -15.681 -7.530 1.00 15.05 N ATOM 436 CA MET A 62 -12.477 -15.017 -8.071 1.00 16.41 C ATOM 437 C MET A 62 -13.053 -15.731 -9.288 1.00 16.63 C ATOM 438 O MET A 62 -14.265 -15.977 -9.364 1.00 16.98 O ATOM 439 CB MET A 62 -12.159 -13.574 -8.453 1.00 16.70 C ATOM 440 CG MET A 62 -11.833 -12.686 -7.286 1.00 18.67 C ATOM 441 SD MET A 62 -12.974 -12.898 -5.920 1.00 22.87 S ATOM 442 CE MET A 62 -12.975 -11.232 -5.288 1.00 22.43 C ATOM 443 H MET A 62 -10.363 -15.201 -7.610 1.00 0.00 H ATOM 444 N THR A 63 -12.177 -16.042 -10.245 1.00 16.37 N ATOM 445 CA THR A 63 -12.567 -16.689 -11.506 1.00 16.84 C ATOM 446 C THR A 63 -13.194 -18.057 -11.231 1.00 16.99 C ATOM 447 O THR A 63 -14.209 -18.411 -11.833 1.00 17.28 O ATOM 448 CB THR A 63 -11.368 -16.827 -12.465 1.00 17.24 C ATOM 449 OG1 THR A 63 -10.821 -15.528 -12.753 1.00 19.00 O ATOM 450 CG2 THR A 63 -11.788 -17.512 -13.794 1.00 18.15 C ATOM 451 HG1 THR A 63 -10.520 -15.104 -11.911 1.00 0.00 H ATOM 452 H THR A 63 -11.173 -15.817 -10.092 1.00 0.00 H ATOM 453 N LYS A 64 -12.606 -18.809 -10.300 1.00 15.94 N ATOM 454 CA LYS A 64 -13.088 -20.153 -9.985 1.00 15.53 C ATOM 455 C LYS A 64 -14.196 -20.174 -8.934 1.00 15.81 C ATOM 456 O LYS A 64 -14.753 -21.240 -8.640 1.00 15.78 O ATOM 457 CB LYS A 64 -11.926 -21.055 -9.549 1.00 15.30 C ATOM 458 CG LYS A 64 -10.923 -21.340 -10.665 1.00 14.26 C ATOM 459 CD LYS A 64 -9.920 -22.423 -10.245 1.00 13.77 C ATOM 460 CE LYS A 64 -10.505 -23.831 -10.430 1.00 13.58 C ATOM 461 NZ LYS A 64 -9.507 -24.895 -10.081 1.00 14.27 N ATOM 462 HZ1 LYS A 64 -8.674 -24.802 -10.696 1.00 0.00 H ATOM 463 HZ2 LYS A 64 -9.220 -24.787 -9.087 1.00 0.00 H ATOM 464 HZ3 LYS A 64 -9.938 -25.831 -10.218 1.00 0.00 H ATOM 465 H LYS A 64 -11.785 -18.431 -9.786 1.00 0.00 H ATOM 466 N ARG A 65 -14.499 -19.002 -8.373 1.00 15.72 N ATOM 467 CA ARG A 65 -15.489 -18.856 -7.307 1.00 16.67 C ATOM 468 C ARG A 65 -15.232 -19.833 -6.158 1.00 16.46 C ATOM 469 O ARG A 65 -16.117 -20.594 -5.764 1.00 15.61 O ATOM 470 CB ARG A 65 -16.915 -19.018 -7.855 1.00 17.42 C ATOM 471 CG ARG A 65 -17.300 -18.012 -8.912 1.00 20.72 C ATOM 472 CD ARG A 65 -18.644 -18.411 -9.514 1.00 25.74 C ATOM 473 NE ARG A 65 -18.986 -17.618 -10.692 1.00 31.13 N ATOM 474 CZ ARG A 65 -19.738 -16.521 -10.668 1.00 33.04 C ATOM 475 NH1 ARG A 65 -20.228 -16.068 -9.517 1.00 34.77 N ATOM 476 NH2 ARG A 65 -19.998 -15.871 -11.797 1.00 33.48 N ATOM 477 HE ARG A 65 -18.617 -17.932 -11.612 1.00 0.00 H ATOM 478 HH12 ARG A 65 -20.815 -15.210 -9.504 1.00 0.00 H ATOM 479 HH11 ARG A 65 -20.024 -16.572 -8.631 1.00 0.00 H ATOM 480 HH22 ARG A 65 -20.586 -15.013 -11.780 1.00 0.00 H ATOM 481 HH21 ARG A 65 -19.614 -16.220 -12.698 1.00 0.00 H ATOM 482 H ARG A 65 -14.007 -18.150 -8.711 1.00 0.00 H ATOM 483 N LEU A 66 -14.011 -19.806 -5.629 1.00 16.43 N ATOM 484 CA LEU A 66 -13.652 -20.653 -4.499 1.00 17.86 C ATOM 485 C LEU A 66 -14.227 -20.122 -3.184 1.00 19.41 C ATOM 486 O LEU A 66 -14.185 -20.804 -2.168 1.00 19.63 O ATOM 487 CB LEU A 66 -12.130 -20.849 -4.410 1.00 17.17 C ATOM 488 CG LEU A 66 -11.474 -21.544 -5.607 1.00 16.86 C ATOM 489 CD1 LEU A 66 -9.962 -21.635 -5.413 1.00 14.24 C ATOM 490 CD2 LEU A 66 -12.073 -22.922 -5.800 1.00 15.88 C ATOM 491 H LEU A 66 -13.297 -19.166 -6.031 1.00 0.00 H ATOM 492 N TYR A 67 -14.818 -18.932 -3.218 1.00 21.58 N ATOM 493 CA TYR A 67 -15.390 -18.357 -2.006 1.00 23.48 C ATOM 494 C TYR A 67 -16.836 -18.754 -1.824 1.00 25.42 C ATOM 495 O TYR A 67 -17.579 -18.927 -2.803 1.00 25.50 O ATOM 496 CB TYR A 67 -15.245 -16.831 -1.974 1.00 22.92 C ATOM 497 CG TYR A 67 -15.859 -16.122 -3.156 1.00 22.15 C ATOM 498 CD1 TYR A 67 -17.143 -15.586 -3.081 1.00 22.45 C ATOM 499 CD2 TYR A 67 -15.162 -16.000 -4.356 1.00 20.65 C ATOM 500 CE1 TYR A 67 -17.705 -14.931 -4.163 1.00 22.91 C ATOM 501 CE2 TYR A 67 -15.718 -15.352 -5.442 1.00 22.06 C ATOM 502 CZ TYR A 67 -16.988 -14.820 -5.340 1.00 23.48 C ATOM 503 OH TYR A 67 -17.548 -14.179 -6.423 1.00 26.32 O ATOM 504 HH TYR A 67 -18.454 -13.860 -6.184 1.00 0.00 H ATOM 505 H TYR A 67 -14.873 -18.408 -4.114 1.00 0.00 H ATOM 506 N ASP A 68 -17.212 -18.901 -0.552 1.00 27.97 N ATOM 507 CA ASP A 68 -18.578 -19.198 -0.149 1.00 29.80 C ATOM 508 C ASP A 68 -19.520 -18.085 -0.601 1.00 30.74 C ATOM 509 O ASP A 68 -19.310 -16.907 -0.299 1.00 30.68 O ATOM 510 CB ASP A 68 -18.662 -19.387 1.374 1.00 30.35 C ATOM 511 CG ASP A 68 -19.966 -20.070 1.825 1.00 31.78 C ATOM 512 OD1 ASP A 68 -20.013 -20.586 2.963 1.00 32.61 O ATOM 513 OD2 ASP A 68 -20.944 -20.099 1.048 1.00 35.68 O ATOM 514 H ASP A 68 -16.491 -18.798 0.190 1.00 0.00 H ATOM 515 N GLU A 69 -20.564 -18.489 -1.318 1.00 31.65 N ATOM 516 CA GLU A 69 -21.596 -17.592 -1.837 1.00 32.18 C ATOM 517 C GLU A 69 -22.294 -16.766 -0.746 1.00 31.93 C ATOM 518 O GLU A 69 -22.705 -15.628 -0.989 1.00 31.85 O ATOM 519 CB GLU A 69 -22.639 -18.415 -2.596 1.00 32.78 C ATOM 520 CG GLU A 69 -22.053 -19.399 -3.610 1.00 35.20 C ATOM 521 CD GLU A 69 -22.699 -20.775 -3.531 1.00 38.76 C ATOM 522 OE1 GLU A 69 -23.511 -21.105 -4.423 1.00 40.58 O ATOM 523 OE2 GLU A 69 -22.395 -21.527 -2.576 1.00 40.25 O ATOM 524 H GLU A 69 -20.652 -19.505 -1.522 1.00 0.00 H ATOM 525 N LYS A 70 -22.419 -17.347 0.446 1.00 31.58 N ATOM 526 CA LYS A 70 -23.099 -16.706 1.567 1.00 31.31 C ATOM 527 C LYS A 70 -22.156 -16.157 2.635 1.00 30.83 C ATOM 528 O LYS A 70 -22.533 -15.267 3.397 1.00 31.84 O ATOM 529 CB LYS A 70 -24.098 -17.673 2.204 1.00 31.69 C ATOM 530 CG LYS A 70 -25.401 -17.819 1.435 1.00 33.16 C ATOM 531 CD LYS A 70 -26.221 -16.518 1.426 1.00 35.32 C ATOM 532 CE LYS A 70 -26.928 -16.268 2.750 1.00 36.85 C ATOM 533 NZ LYS A 70 -27.834 -15.081 2.677 1.00 38.50 N ATOM 534 HZ1 LYS A 70 -27.277 -14.236 2.438 1.00 0.00 H ATOM 535 HZ2 LYS A 70 -28.555 -15.241 1.945 1.00 0.00 H ATOM 536 HZ3 LYS A 70 -28.297 -14.943 3.598 1.00 0.00 H ATOM 537 H LYS A 70 -22.016 -18.296 0.583 1.00 0.00 H ATOM 538 N GLN A 71 -20.946 -16.700 2.708 1.00 29.84 N ATOM 539 CA GLN A 71 -19.927 -16.187 3.620 1.00 28.57 C ATOM 540 C GLN A 71 -18.700 -15.875 2.776 1.00 27.55 C ATOM 541 O GLN A 71 -17.705 -16.606 2.761 1.00 26.97 O ATOM 542 CB GLN A 71 -19.640 -17.174 4.757 1.00 28.99 C ATOM 543 CG GLN A 71 -20.817 -17.315 5.734 1.00 30.26 C ATOM 544 CD GLN A 71 -20.545 -18.261 6.885 1.00 32.26 C ATOM 545 OE1 GLN A 71 -19.564 -19.010 6.883 1.00 32.72 O ATOM 546 NE2 GLN A 71 -21.424 -18.231 7.886 1.00 33.01 N ATOM 547 HE22 GLN A 71 -22.237 -17.583 7.845 1.00 0.00 H ATOM 548 HE21 GLN A 71 -21.297 -18.855 8.708 1.00 0.00 H ATOM 549 H GLN A 71 -20.718 -17.512 2.100 1.00 0.00 H ATOM 550 N GLN A 72 -18.787 -14.749 2.081 1.00 26.29 N ATOM 551 CA GLN A 72 -17.915 -14.483 0.939 1.00 25.41 C ATOM 552 C GLN A 72 -16.453 -14.224 1.260 1.00 24.41 C ATOM 553 O GLN A 72 -15.621 -14.242 0.355 1.00 24.34 O ATOM 554 CB GLN A 72 -18.520 -13.397 0.049 1.00 25.54 C ATOM 555 CG GLN A 72 -19.893 -13.801 -0.473 1.00 26.95 C ATOM 556 CD GLN A 72 -20.348 -12.979 -1.647 1.00 29.79 C ATOM 557 OE1 GLN A 72 -20.256 -11.756 -1.628 1.00 31.68 O ATOM 558 NE2 GLN A 72 -20.855 -13.647 -2.678 1.00 29.75 N ATOM 559 HE22 GLN A 72 -20.912 -14.685 -2.648 1.00 0.00 H ATOM 560 HE21 GLN A 72 -21.194 -13.132 -3.515 1.00 0.00 H ATOM 561 H GLN A 72 -19.494 -14.037 2.356 1.00 0.00 H ATOM 562 N HIS A 73 -16.134 -14.015 2.535 1.00 22.83 N ATOM 563 CA HIS A 73 -14.737 -13.849 2.933 1.00 22.37 C ATOM 564 C HIS A 73 -14.000 -15.176 3.131 1.00 20.97 C ATOM 565 O HIS A 73 -12.776 -15.187 3.237 1.00 21.05 O ATOM 566 CB HIS A 73 -14.607 -12.957 4.172 1.00 22.95 C ATOM 567 CG HIS A 73 -14.976 -11.528 3.913 1.00 25.50 C ATOM 568 ND1 HIS A 73 -15.697 -10.767 4.810 1.00 28.45 N ATOM 569 CD2 HIS A 73 -14.737 -10.728 2.846 1.00 26.95 C ATOM 570 CE1 HIS A 73 -15.878 -9.556 4.309 1.00 28.72 C ATOM 571 NE2 HIS A 73 -15.304 -9.507 3.118 1.00 28.45 N ATOM 572 H HIS A 73 -16.884 -13.969 3.254 1.00 0.00 H ATOM 573 N ILE A 74 -14.736 -16.282 3.164 1.00 19.34 N ATOM 574 CA ILE A 74 -14.111 -17.594 3.359 1.00 18.50 C ATOM 575 C ILE A 74 -13.881 -18.293 2.026 1.00 17.57 C ATOM 576 O ILE A 74 -14.822 -18.502 1.249 1.00 16.49 O ATOM 577 CB ILE A 74 -14.928 -18.512 4.304 1.00 19.22 C ATOM 578 CG1 ILE A 74 -15.315 -17.761 5.587 1.00 20.91 C ATOM 579 CG2 ILE A 74 -14.127 -19.789 4.650 1.00 18.99 C ATOM 580 CD1 ILE A 74 -14.123 -17.224 6.386 1.00 23.28 C ATOM 581 H ILE A 74 -15.768 -16.216 3.050 1.00 0.00 H ATOM 582 N VAL A 75 -12.619 -18.636 1.783 1.00 16.21 N ATOM 583 CA VAL A 75 -12.194 -19.354 0.595 1.00 16.25 C ATOM 584 C VAL A 75 -12.095 -20.836 0.936 1.00 16.43 C ATOM 585 O VAL A 75 -11.418 -21.204 1.887 1.00 16.87 O ATOM 586 CB VAL A 75 -10.818 -18.854 0.100 1.00 15.75 C ATOM 587 CG1 VAL A 75 -10.305 -19.711 -1.047 1.00 15.71 C ATOM 588 CG2 VAL A 75 -10.913 -17.392 -0.340 1.00 16.49 C ATOM 589 H VAL A 75 -11.896 -18.375 2.484 1.00 0.00 H ATOM 590 N TYR A 76 -12.768 -21.672 0.153 1.00 16.45 N ATOM 591 CA TYR A 76 -12.740 -23.118 0.360 1.00 17.20 C ATOM 592 C TYR A 76 -11.909 -23.752 -0.744 1.00 17.01 C ATOM 593 O TYR A 76 -12.193 -23.559 -1.923 1.00 17.33 O ATOM 594 CB TYR A 76 -14.154 -23.691 0.370 1.00 17.13 C ATOM 595 CG TYR A 76 -14.885 -23.351 1.645 1.00 18.27 C ATOM 596 CD1 TYR A 76 -14.706 -24.119 2.794 1.00 18.30 C ATOM 597 CD2 TYR A 76 -15.717 -22.234 1.718 1.00 18.79 C ATOM 598 CE1 TYR A 76 -15.354 -23.803 3.974 1.00 17.95 C ATOM 599 CE2 TYR A 76 -16.377 -21.911 2.903 1.00 18.91 C ATOM 600 CZ TYR A 76 -16.185 -22.704 4.019 1.00 18.81 C ATOM 601 OH TYR A 76 -16.813 -22.405 5.193 1.00 20.09 O ATOM 602 HH TYR A 76 -16.563 -23.073 5.879 1.00 0.00 H ATOM 603 H TYR A 76 -13.332 -21.286 -0.631 1.00 0.00 H ATOM 604 N CYS A 77 -10.883 -24.497 -0.351 1.00 16.92 N ATOM 605 CA CYS A 77 -9.899 -25.002 -1.312 1.00 17.29 C ATOM 606 C CYS A 77 -9.486 -26.465 -1.112 1.00 16.90 C ATOM 607 O CYS A 77 -8.501 -26.925 -1.698 1.00 16.47 O ATOM 608 CB CYS A 77 -8.668 -24.080 -1.324 1.00 17.36 C ATOM 609 SG CYS A 77 -7.969 -23.711 0.317 1.00 19.46 S ATOM 610 H CYS A 77 -10.776 -24.726 0.658 1.00 0.00 H ATOM 611 N SER A 78 -10.258 -27.205 -0.320 1.00 17.20 N ATOM 612 CA SER A 78 -9.951 -28.611 -0.023 1.00 18.24 C ATOM 613 C SER A 78 -9.923 -29.508 -1.274 1.00 17.87 C ATOM 614 O SER A 78 -9.208 -30.514 -1.319 1.00 19.03 O ATOM 615 CB SER A 78 -10.954 -29.175 0.993 1.00 18.41 C ATOM 616 OG SER A 78 -12.217 -29.399 0.372 1.00 20.50 O ATOM 617 HG SER A 78 -12.565 -28.543 0.016 1.00 0.00 H ATOM 618 H SER A 78 -11.105 -26.775 0.102 1.00 0.00 H ATOM 619 N ASN A 79 -10.702 -29.143 -2.285 1.00 17.05 N ATOM 620 CA ASN A 79 -10.769 -29.912 -3.519 1.00 16.24 C ATOM 621 C ASN A 79 -10.129 -29.149 -4.675 1.00 15.49 C ATOM 622 O ASN A 79 -10.522 -29.308 -5.831 1.00 15.39 O ATOM 623 CB ASN A 79 -12.226 -30.263 -3.850 1.00 16.43 C ATOM 624 CG ASN A 79 -13.108 -29.045 -3.938 1.00 16.95 C ATOM 625 OD1 ASN A 79 -12.622 -27.909 -4.024 1.00 17.39 O ATOM 626 ND2 ASN A 79 -14.416 -29.265 -3.922 1.00 17.99 N ATOM 627 HD22 ASN A 79 -14.779 -30.237 -3.848 1.00 0.00 H ATOM 628 HD21 ASN A 79 -15.079 -28.466 -3.983 1.00 0.00 H ATOM 629 H ASN A 79 -11.281 -28.284 -2.193 1.00 0.00 H ATOM 630 N ASP A 80 -9.119 -28.345 -4.354 1.00 14.66 N ATOM 631 CA ASP A 80 -8.452 -27.503 -5.345 1.00 14.11 C ATOM 632 C ASP A 80 -6.944 -27.554 -5.155 1.00 14.24 C ATOM 633 O ASP A 80 -6.457 -27.799 -4.041 1.00 14.47 O ATOM 634 CB ASP A 80 -8.948 -26.065 -5.200 1.00 14.20 C ATOM 635 CG ASP A 80 -8.631 -25.215 -6.416 1.00 14.28 C ATOM 636 OD1 ASP A 80 -9.492 -25.119 -7.318 1.00 13.64 O ATOM 637 OD2 ASP A 80 -7.518 -24.668 -6.480 1.00 14.49 O ATOM 638 H ASP A 80 -8.794 -28.315 -3.367 1.00 0.00 H ATOM 639 N LEU A 81 -6.199 -27.320 -6.235 1.00 14.05 N ATOM 640 CA LEU A 81 -4.742 -27.202 -6.132 1.00 14.55 C ATOM 641 C LEU A 81 -4.317 -26.148 -5.106 1.00 14.15 C ATOM 642 O LEU A 81 -3.294 -26.308 -4.441 1.00 13.69 O ATOM 643 CB LEU A 81 -4.126 -26.848 -7.484 1.00 15.47 C ATOM 644 CG LEU A 81 -2.608 -26.640 -7.562 1.00 17.32 C ATOM 645 CD1 LEU A 81 -1.833 -27.836 -6.988 1.00 20.38 C ATOM 646 CD2 LEU A 81 -2.207 -26.346 -8.990 1.00 20.47 C ATOM 647 H LEU A 81 -6.658 -27.220 -7.163 1.00 0.00 H ATOM 648 N LEU A 82 -5.103 -25.082 -4.973 1.00 14.09 N ATOM 649 CA LEU A 82 -4.803 -24.053 -3.969 1.00 14.00 C ATOM 650 C LEU A 82 -4.694 -24.648 -2.557 1.00 14.63 C ATOM 651 O LEU A 82 -3.843 -24.231 -1.768 1.00 13.88 O ATOM 652 CB LEU A 82 -5.829 -22.900 -4.021 1.00 14.05 C ATOM 653 CG LEU A 82 -5.627 -21.719 -3.053 1.00 13.80 C ATOM 654 CD1 LEU A 82 -4.325 -20.977 -3.315 1.00 15.40 C ATOM 655 CD2 LEU A 82 -6.810 -20.753 -3.088 1.00 14.89 C ATOM 656 H LEU A 82 -5.937 -24.977 -5.585 1.00 0.00 H ATOM 657 N GLY A 83 -5.535 -25.636 -2.243 1.00 15.54 N ATOM 658 CA GLY A 83 -5.470 -26.301 -0.936 1.00 16.78 C ATOM 659 C GLY A 83 -4.205 -27.127 -0.742 1.00 17.96 C ATOM 660 O GLY A 83 -3.702 -27.238 0.385 1.00 18.36 O ATOM 661 H GLY A 83 -6.248 -25.940 -2.936 1.00 0.00 H ATOM 662 N ASP A 84 -3.704 -27.723 -1.826 1.00 19.09 N ATOM 663 CA ASP A 84 -2.398 -28.409 -1.809 1.00 20.38 C ATOM 664 C ASP A 84 -1.269 -27.415 -1.557 1.00 20.33 C ATOM 665 O ASP A 84 -0.344 -27.679 -0.780 1.00 20.46 O ATOM 666 CB ASP A 84 -2.120 -29.124 -3.136 1.00 21.34 C ATOM 667 CG ASP A 84 -3.253 -30.021 -3.580 1.00 24.59 C ATOM 668 OD1 ASP A 84 -3.940 -30.611 -2.720 1.00 28.63 O ATOM 669 OD2 ASP A 84 -3.451 -30.136 -4.812 1.00 29.51 O ATOM 670 H ASP A 84 -4.251 -27.703 -2.710 1.00 0.00 H ATOM 671 N LEU A 85 -1.356 -26.268 -2.226 1.00 19.94 N ATOM 672 CA LEU A 85 -0.376 -25.188 -2.110 1.00 20.10 C ATOM 673 C LEU A 85 -0.317 -24.654 -0.677 1.00 19.81 C ATOM 674 O LEU A 85 0.768 -24.511 -0.102 1.00 19.62 O ATOM 675 CB LEU A 85 -0.760 -24.067 -3.086 1.00 20.71 C ATOM 676 CG LEU A 85 0.193 -22.956 -3.507 1.00 22.81 C ATOM 677 CD1 LEU A 85 1.242 -23.521 -4.427 1.00 25.83 C ATOM 678 CD2 LEU A 85 -0.598 -21.880 -4.242 1.00 25.06 C ATOM 679 H LEU A 85 -2.164 -26.132 -2.866 1.00 0.00 H ATOM 680 N PHE A 86 -1.488 -24.399 -0.095 1.00 19.00 N ATOM 681 CA PHE A 86 -1.590 -23.730 1.208 1.00 19.29 C ATOM 682 C PHE A 86 -1.630 -24.672 2.413 1.00 19.53 C ATOM 683 O PHE A 86 -1.422 -24.240 3.558 1.00 20.50 O ATOM 684 CB PHE A 86 -2.815 -22.805 1.223 1.00 18.78 C ATOM 685 CG PHE A 86 -2.597 -21.477 0.524 1.00 18.71 C ATOM 686 CD1 PHE A 86 -1.426 -21.217 -0.194 1.00 17.75 C ATOM 687 CD2 PHE A 86 -3.591 -20.500 0.566 1.00 18.44 C ATOM 688 CE1 PHE A 86 -1.235 -19.992 -0.834 1.00 17.75 C ATOM 689 CE2 PHE A 86 -3.417 -19.276 -0.068 1.00 18.77 C ATOM 690 CZ PHE A 86 -2.236 -19.020 -0.777 1.00 18.72 C ATOM 691 H PHE A 86 -2.362 -24.684 -0.581 1.00 0.00 H ATOM 692 N GLY A 87 -1.913 -25.945 2.162 1.00 20.07 N ATOM 693 CA GLY A 87 -2.000 -26.954 3.232 1.00 20.22 C ATOM 694 C GLY A 87 -3.180 -26.806 4.182 1.00 20.54 C ATOM 695 O GLY A 87 -3.127 -27.285 5.327 1.00 20.87 O ATOM 696 H GLY A 87 -2.079 -26.239 1.178 1.00 0.00 H ATOM 697 N VAL A 88 -4.244 -26.151 3.718 1.00 20.04 N ATOM 698 CA VAL A 88 -5.472 -25.965 4.497 1.00 20.44 C ATOM 699 C VAL A 88 -6.708 -26.268 3.625 1.00 20.25 C ATOM 700 O VAL A 88 -6.625 -26.176 2.393 1.00 19.90 O ATOM 701 CB VAL A 88 -5.593 -24.534 5.120 1.00 20.96 C ATOM 702 CG1 VAL A 88 -4.509 -24.289 6.171 1.00 22.07 C ATOM 703 CG2 VAL A 88 -5.575 -23.443 4.046 1.00 21.35 C ATOM 704 H VAL A 88 -4.201 -25.753 2.758 1.00 0.00 H ATOM 705 N PRO A 89 -7.843 -26.651 4.253 1.00 20.19 N ATOM 706 CA PRO A 89 -9.092 -26.842 3.499 1.00 20.07 C ATOM 707 C PRO A 89 -9.828 -25.536 3.212 1.00 20.03 C ATOM 708 O PRO A 89 -10.655 -25.482 2.293 1.00 19.72 O ATOM 709 CB PRO A 89 -9.932 -27.723 4.430 1.00 20.10 C ATOM 710 CG PRO A 89 -9.444 -27.388 5.805 1.00 20.43 C ATOM 711 CD PRO A 89 -7.966 -27.132 5.647 1.00 20.30 C ATOM 712 N SER A 90 -9.520 -24.507 3.995 1.00 20.27 N ATOM 713 CA SER A 90 -10.171 -23.192 3.908 1.00 20.70 C ATOM 714 C SER A 90 -9.402 -22.140 4.705 1.00 20.53 C ATOM 715 O SER A 90 -8.593 -22.477 5.568 1.00 20.73 O ATOM 716 CB SER A 90 -11.620 -23.262 4.396 1.00 21.14 C ATOM 717 OG SER A 90 -11.686 -23.445 5.798 1.00 22.34 O ATOM 718 HG SER A 90 -12.634 -23.486 6.080 1.00 0.00 H ATOM 719 H SER A 90 -8.776 -24.640 4.710 1.00 0.00 H ATOM 720 N PHE A 91 -9.655 -20.871 4.392 1.00 20.50 N ATOM 721 CA PHE A 91 -9.089 -19.725 5.114 1.00 20.54 C ATOM 722 C PHE A 91 -9.938 -18.480 4.839 1.00 20.73 C ATOM 723 O PHE A 91 -10.673 -18.416 3.848 1.00 20.82 O ATOM 724 CB PHE A 91 -7.627 -19.470 4.710 1.00 20.10 C ATOM 725 CG PHE A 91 -7.448 -19.078 3.258 1.00 19.16 C ATOM 726 CD1 PHE A 91 -7.398 -17.738 2.882 1.00 17.77 C ATOM 727 CD2 PHE A 91 -7.324 -20.054 2.269 1.00 18.43 C ATOM 728 CE1 PHE A 91 -7.247 -17.369 1.541 1.00 16.70 C ATOM 729 CE2 PHE A 91 -7.155 -19.699 0.930 1.00 18.84 C ATOM 730 CZ PHE A 91 -7.116 -18.345 0.564 1.00 18.29 C ATOM 731 H PHE A 91 -10.290 -20.681 3.590 1.00 0.00 H ATOM 732 N SER A 92 -9.829 -17.493 5.718 1.00 21.47 N ATOM 733 CA SER A 92 -10.487 -16.206 5.517 1.00 21.69 C ATOM 734 C SER A 92 -9.540 -15.230 4.841 1.00 21.86 C ATOM 735 O SER A 92 -8.359 -15.179 5.173 1.00 22.26 O ATOM 736 CB SER A 92 -10.954 -15.628 6.853 1.00 21.62 C ATOM 737 OG SER A 92 -11.577 -14.369 6.665 1.00 22.82 O ATOM 738 HG SER A 92 -11.871 -14.014 7.541 1.00 0.00 H ATOM 739 H SER A 92 -9.258 -17.640 6.575 1.00 0.00 H ATOM 740 N VAL A 93 -10.062 -14.448 3.899 1.00 22.33 N ATOM 741 CA VAL A 93 -9.263 -13.428 3.221 1.00 22.81 C ATOM 742 C VAL A 93 -8.838 -12.335 4.205 1.00 23.60 C ATOM 743 O VAL A 93 -7.921 -11.571 3.934 1.00 23.23 O ATOM 744 CB VAL A 93 -9.989 -12.825 1.998 1.00 22.86 C ATOM 745 CG1 VAL A 93 -10.207 -13.899 0.938 1.00 22.49 C ATOM 746 CG2 VAL A 93 -11.330 -12.173 2.410 1.00 23.00 C ATOM 747 H VAL A 93 -11.062 -14.565 3.639 1.00 0.00 H ATOM 748 N LYS A 94 -9.500 -12.297 5.356 1.00 24.75 N ATOM 749 CA LYS A 94 -9.185 -11.330 6.399 1.00 26.26 C ATOM 750 C LYS A 94 -7.938 -11.725 7.205 1.00 26.83 C ATOM 751 O LYS A 94 -7.387 -10.903 7.938 1.00 26.85 O ATOM 752 CB LYS A 94 -10.400 -11.129 7.315 1.00 26.62 C ATOM 753 CG LYS A 94 -11.624 -10.534 6.614 1.00 28.43 C ATOM 754 CD LYS A 94 -11.417 -9.068 6.242 1.00 32.08 C ATOM 755 CE LYS A 94 -12.687 -8.485 5.630 1.00 33.63 C ATOM 756 NZ LYS A 94 -12.584 -7.022 5.379 1.00 35.86 N ATOM 757 HZ1 LYS A 94 -12.407 -6.529 6.277 1.00 0.00 H ATOM 758 HZ2 LYS A 94 -11.799 -6.839 4.721 1.00 0.00 H ATOM 759 HZ3 LYS A 94 -13.474 -6.679 4.963 1.00 0.00 H ATOM 760 H LYS A 94 -10.268 -12.980 5.518 1.00 0.00 H ATOM 761 N GLU A 95 -7.499 -12.977 7.061 1.00 27.47 N ATOM 762 CA GLU A 95 -6.318 -13.491 7.760 1.00 28.29 C ATOM 763 C GLU A 95 -5.045 -13.133 6.992 1.00 28.14 C ATOM 764 O GLU A 95 -4.387 -14.000 6.408 1.00 27.83 O ATOM 765 CB GLU A 95 -6.428 -15.010 7.952 1.00 28.43 C ATOM 766 CG GLU A 95 -7.558 -15.458 8.879 1.00 30.65 C ATOM 767 CD GLU A 95 -7.724 -16.974 8.917 1.00 32.73 C ATOM 768 OE1 GLU A 95 -7.324 -17.592 9.922 1.00 34.65 O ATOM 769 OE2 GLU A 95 -8.242 -17.557 7.941 1.00 33.56 O ATOM 770 H GLU A 95 -8.018 -13.616 6.425 1.00 0.00 H ATOM 771 N HIS A 96 -4.699 -11.850 7.013 1.00 28.19 N ATOM 772 CA HIS A 96 -3.645 -11.299 6.155 1.00 28.30 C ATOM 773 C HIS A 96 -2.246 -11.851 6.410 1.00 27.85 C ATOM 774 O HIS A 96 -1.510 -12.137 5.463 1.00 27.42 O ATOM 775 CB HIS A 96 -3.650 -9.769 6.208 1.00 28.81 C ATOM 776 CG HIS A 96 -4.984 -9.167 5.899 1.00 30.22 C ATOM 777 ND1 HIS A 96 -5.596 -8.246 6.722 1.00 31.87 N ATOM 778 CD2 HIS A 96 -5.840 -9.380 4.871 1.00 31.40 C ATOM 779 CE1 HIS A 96 -6.767 -7.912 6.210 1.00 32.56 C ATOM 780 NE2 HIS A 96 -6.938 -8.584 5.085 1.00 32.39 N ATOM 781 H HIS A 96 -5.196 -11.210 7.665 1.00 0.00 H ATOM 782 N ARG A 97 -1.877 -11.984 7.684 1.00 27.30 N ATOM 783 CA ARG A 97 -0.583 -12.548 8.044 1.00 27.04 C ATOM 784 C ARG A 97 -0.466 -14.000 7.599 1.00 25.86 C ATOM 785 O ARG A 97 0.563 -14.406 7.068 1.00 25.89 O ATOM 786 CB ARG A 97 -0.334 -12.429 9.549 1.00 27.44 C ATOM 787 CG ARG A 97 0.642 -11.332 9.922 1.00 30.05 C ATOM 788 CD ARG A 97 1.077 -11.464 11.382 1.00 33.27 C ATOM 789 NE ARG A 97 0.577 -10.381 12.229 1.00 36.90 N ATOM 790 CZ ARG A 97 0.775 -10.298 13.545 1.00 37.76 C ATOM 791 NH1 ARG A 97 1.442 -11.249 14.189 1.00 37.58 N ATOM 792 NH2 ARG A 97 0.292 -9.265 14.224 1.00 39.45 N ATOM 793 HE ARG A 97 0.029 -9.623 11.773 1.00 0.00 H ATOM 794 HH12 ARG A 97 1.591 -11.175 15.216 1.00 0.00 H ATOM 795 HH11 ARG A 97 1.815 -12.067 13.667 1.00 0.00 H ATOM 796 HH22 ARG A 97 0.446 -9.200 15.250 1.00 0.00 H ATOM 797 HH21 ARG A 97 -0.241 -8.521 13.730 1.00 0.00 H ATOM 798 H ARG A 97 -2.527 -11.679 8.437 1.00 0.00 H ATOM 799 N LYS A 98 -1.532 -14.763 7.824 1.00 24.75 N ATOM 800 CA LYS A 98 -1.624 -16.164 7.419 1.00 23.70 C ATOM 801 C LYS A 98 -1.450 -16.316 5.899 1.00 22.42 C ATOM 802 O LYS A 98 -0.715 -17.193 5.429 1.00 21.80 O ATOM 803 CB LYS A 98 -2.979 -16.719 7.868 1.00 24.15 C ATOM 804 CG LYS A 98 -3.173 -18.224 7.681 1.00 25.85 C ATOM 805 CD LYS A 98 -4.583 -18.632 8.123 1.00 28.83 C ATOM 806 CE LYS A 98 -4.785 -20.141 8.101 1.00 31.15 C ATOM 807 NZ LYS A 98 -3.829 -20.852 9.006 1.00 32.87 N ATOM 808 HZ1 LYS A 98 -2.854 -20.651 8.705 1.00 0.00 H ATOM 809 HZ2 LYS A 98 -3.967 -20.521 9.982 1.00 0.00 H ATOM 810 HZ3 LYS A 98 -4.004 -21.876 8.958 1.00 0.00 H ATOM 811 H LYS A 98 -2.345 -14.339 8.315 1.00 0.00 H ATOM 812 N ILE A 99 -2.135 -15.455 5.150 1.00 21.08 N ATOM 813 CA ILE A 99 -2.067 -15.445 3.682 1.00 20.19 C ATOM 814 C ILE A 99 -0.643 -15.158 3.209 1.00 19.70 C ATOM 815 O ILE A 99 -0.121 -15.854 2.341 1.00 18.66 O ATOM 816 CB ILE A 99 -3.095 -14.450 3.084 1.00 20.14 C ATOM 817 CG1 ILE A 99 -4.508 -15.010 3.249 1.00 20.20 C ATOM 818 CG2 ILE A 99 -2.788 -14.136 1.619 1.00 19.57 C ATOM 819 CD1 ILE A 99 -5.607 -13.979 3.066 1.00 22.63 C ATOM 820 H ILE A 99 -2.745 -14.759 5.624 1.00 0.00 H ATOM 821 N TYR A 100 0.008 -14.158 3.802 1.00 19.30 N ATOM 822 CA TYR A 100 1.407 -13.924 3.486 1.00 19.27 C ATOM 823 C TYR A 100 2.270 -15.148 3.747 1.00 18.46 C ATOM 824 O TYR A 100 3.087 -15.499 2.915 1.00 17.82 O ATOM 825 CB TYR A 100 1.969 -12.711 4.230 1.00 19.89 C ATOM 826 CG TYR A 100 1.826 -11.435 3.444 1.00 22.65 C ATOM 827 CD1 TYR A 100 0.673 -10.663 3.539 1.00 26.56 C ATOM 828 CD2 TYR A 100 2.839 -11.003 2.593 1.00 25.60 C ATOM 829 CE1 TYR A 100 0.535 -9.482 2.811 1.00 28.43 C ATOM 830 CE2 TYR A 100 2.705 -9.820 1.857 1.00 28.26 C ATOM 831 CZ TYR A 100 1.548 -9.071 1.977 1.00 28.27 C ATOM 832 OH TYR A 100 1.402 -7.898 1.265 1.00 29.87 O ATOM 833 HH TYR A 100 0.521 -7.496 1.470 1.00 0.00 H ATOM 834 H TYR A 100 -0.482 -13.548 4.487 1.00 0.00 H ATOM 835 N THR A 101 2.080 -15.783 4.900 1.00 18.25 N ATOM 836 CA THR A 101 2.876 -16.945 5.288 1.00 17.74 C ATOM 837 C THR A 101 2.670 -18.096 4.303 1.00 17.57 C ATOM 838 O THR A 101 3.637 -18.690 3.826 1.00 17.23 O ATOM 839 CB THR A 101 2.554 -17.356 6.739 1.00 18.29 C ATOM 840 OG1 THR A 101 2.998 -16.307 7.613 1.00 17.75 O ATOM 841 CG2 THR A 101 3.235 -18.651 7.117 1.00 18.14 C ATOM 842 HG1 THR A 101 2.799 -16.554 8.551 1.00 0.00 H ATOM 843 H THR A 101 1.341 -15.441 5.547 1.00 0.00 H ATOM 844 N MET A 102 1.410 -18.376 3.967 1.00 16.98 N ATOM 845 CA MET A 102 1.110 -19.487 3.055 1.00 17.22 C ATOM 846 C MET A 102 1.709 -19.257 1.670 1.00 16.71 C ATOM 847 O MET A 102 2.229 -20.185 1.049 1.00 16.83 O ATOM 848 CB MET A 102 -0.396 -19.750 2.975 1.00 17.28 C ATOM 849 CG MET A 102 -0.996 -20.265 4.292 1.00 18.79 C ATOM 850 SD MET A 102 -2.774 -20.584 4.209 1.00 21.16 S ATOM 851 CE MET A 102 -3.421 -18.950 3.841 1.00 21.71 C ATOM 852 H MET A 102 0.634 -17.803 4.354 1.00 0.00 H ATOM 853 N ILE A 103 1.641 -18.018 1.190 1.00 16.41 N ATOM 854 CA ILE A 103 2.263 -17.675 -0.079 1.00 15.99 C ATOM 855 C ILE A 103 3.789 -17.766 0.002 1.00 15.65 C ATOM 856 O ILE A 103 4.413 -18.337 -0.877 1.00 15.32 O ATOM 857 CB ILE A 103 1.792 -16.297 -0.613 1.00 15.72 C ATOM 858 CG1 ILE A 103 0.286 -16.341 -0.891 1.00 15.93 C ATOM 859 CG2 ILE A 103 2.563 -15.921 -1.875 1.00 16.25 C ATOM 860 CD1 ILE A 103 -0.352 -14.990 -1.142 1.00 17.13 C ATOM 861 H ILE A 103 1.137 -17.286 1.729 1.00 0.00 H ATOM 862 N TYR A 104 4.389 -17.229 1.065 1.00 15.96 N ATOM 863 CA TYR A 104 5.854 -17.211 1.150 1.00 16.57 C ATOM 864 C TYR A 104 6.450 -18.620 1.172 1.00 16.06 C ATOM 865 O TYR A 104 7.533 -18.848 0.639 1.00 15.81 O ATOM 866 CB TYR A 104 6.336 -16.424 2.374 1.00 17.25 C ATOM 867 CG TYR A 104 6.309 -14.916 2.219 1.00 21.34 C ATOM 868 CD1 TYR A 104 6.745 -14.293 1.045 1.00 24.28 C ATOM 869 CD2 TYR A 104 5.874 -14.107 3.276 1.00 25.43 C ATOM 870 CE1 TYR A 104 6.726 -12.893 0.924 1.00 27.11 C ATOM 871 CE2 TYR A 104 5.846 -12.716 3.162 1.00 27.68 C ATOM 872 CZ TYR A 104 6.270 -12.117 1.990 1.00 28.50 C ATOM 873 OH TYR A 104 6.239 -10.736 1.902 1.00 30.80 O ATOM 874 HH TYR A 104 6.817 -10.349 2.607 1.00 0.00 H ATOM 875 H TYR A 104 3.819 -16.823 1.834 1.00 0.00 H ATOM 876 N ARG A 105 5.723 -19.567 1.759 1.00 16.25 N ATOM 877 CA ARG A 105 6.174 -20.959 1.793 1.00 16.60 C ATOM 878 C ARG A 105 6.155 -21.598 0.404 1.00 16.93 C ATOM 879 O ARG A 105 6.683 -22.695 0.197 1.00 16.55 O ATOM 880 CB ARG A 105 5.341 -21.778 2.791 1.00 17.28 C ATOM 881 CG ARG A 105 5.618 -21.430 4.258 1.00 17.90 C ATOM 882 CD ARG A 105 4.667 -22.157 5.192 1.00 21.75 C ATOM 883 NE ARG A 105 4.910 -21.848 6.604 1.00 22.98 N ATOM 884 CZ ARG A 105 4.007 -21.999 7.571 1.00 24.13 C ATOM 885 NH1 ARG A 105 2.792 -22.454 7.285 1.00 24.62 N ATOM 886 NH2 ARG A 105 4.309 -21.683 8.825 1.00 23.99 N ATOM 887 HE ARG A 105 5.849 -21.487 6.868 1.00 0.00 H ATOM 888 HH12 ARG A 105 2.089 -22.571 8.042 1.00 0.00 H ATOM 889 HH11 ARG A 105 2.544 -22.693 6.304 1.00 0.00 H ATOM 890 HH22 ARG A 105 3.600 -21.803 9.577 1.00 0.00 H ATOM 891 HH21 ARG A 105 5.254 -21.316 9.055 1.00 0.00 H ATOM 892 H ARG A 105 4.817 -19.313 2.202 1.00 0.00 H ATOM 893 N ASN A 106 5.567 -20.896 -0.557 1.00 17.08 N ATOM 894 CA ASN A 106 5.494 -21.416 -1.917 1.00 17.61 C ATOM 895 C ASN A 106 6.383 -20.664 -2.898 1.00 17.77 C ATOM 896 O ASN A 106 6.191 -20.716 -4.116 1.00 17.75 O ATOM 897 CB ASN A 106 4.038 -21.458 -2.368 1.00 17.62 C ATOM 898 CG ASN A 106 3.313 -22.637 -1.790 1.00 19.42 C ATOM 899 OD1 ASN A 106 3.538 -23.780 -2.208 1.00 21.99 O ATOM 900 ND2 ASN A 106 2.483 -22.390 -0.787 1.00 19.03 N ATOM 901 HD22 ASN A 106 2.326 -21.412 -0.471 1.00 0.00 H ATOM 902 HD21 ASN A 106 1.989 -23.174 -0.316 1.00 0.00 H ATOM 903 H ASN A 106 5.155 -19.967 -0.338 1.00 0.00 H ATOM 904 N LEU A 107 7.366 -19.956 -2.357 1.00 18.08 N ATOM 905 CA LEU A 107 8.271 -19.204 -3.207 1.00 18.26 C ATOM 906 C LEU A 107 9.644 -19.013 -2.599 1.00 18.19 C ATOM 907 O LEU A 107 9.893 -19.336 -1.435 1.00 18.04 O ATOM 908 CB LEU A 107 7.659 -17.856 -3.605 1.00 18.87 C ATOM 909 CG LEU A 107 7.214 -16.925 -2.488 1.00 18.00 C ATOM 910 CD1 LEU A 107 8.393 -16.105 -1.957 1.00 21.09 C ATOM 911 CD2 LEU A 107 6.105 -16.026 -2.987 1.00 19.36 C ATOM 912 H LEU A 107 7.488 -19.940 -1.324 1.00 0.00 H ATOM 913 N VAL A 108 10.523 -18.476 -3.424 1.00 18.44 N ATOM 914 CA VAL A 108 11.875 -18.171 -3.042 1.00 19.12 C ATOM 915 C VAL A 108 12.018 -16.666 -3.194 1.00 19.28 C ATOM 916 O VAL A 108 11.809 -16.116 -4.268 1.00 18.97 O ATOM 917 CB VAL A 108 12.882 -18.908 -3.949 1.00 18.84 C ATOM 918 CG1 VAL A 108 14.300 -18.393 -3.724 1.00 19.91 C ATOM 919 CG2 VAL A 108 12.804 -20.423 -3.722 1.00 19.81 C ATOM 920 H VAL A 108 10.223 -18.263 -4.397 1.00 0.00 H ATOM 921 N VAL A 109 12.346 -15.994 -2.104 1.00 20.04 N ATOM 922 CA VAL A 109 12.610 -14.569 -2.181 1.00 21.00 C ATOM 923 C VAL A 109 13.936 -14.371 -2.905 1.00 21.86 C ATOM 924 O VAL A 109 14.918 -15.046 -2.601 1.00 22.08 O ATOM 925 CB VAL A 109 12.626 -13.920 -0.790 1.00 20.91 C ATOM 926 CG1 VAL A 109 13.156 -12.498 -0.873 1.00 20.88 C ATOM 927 CG2 VAL A 109 11.223 -13.935 -0.193 1.00 20.44 C ATOM 928 H VAL A 109 12.415 -16.487 -1.191 1.00 0.00 H ATOM 929 N VAL A 110 13.943 -13.466 -3.879 1.00 22.85 N ATOM 930 CA VAL A 110 15.129 -13.207 -4.685 1.00 24.77 C ATOM 931 C VAL A 110 16.151 -12.435 -3.853 1.00 25.37 C ATOM 932 O VAL A 110 15.776 -11.581 -3.049 1.00 26.36 O ATOM 933 CB VAL A 110 14.787 -12.402 -5.960 1.00 24.97 C ATOM 934 CG1 VAL A 110 16.034 -12.194 -6.822 1.00 26.39 C ATOM 935 CG2 VAL A 110 13.700 -13.099 -6.766 1.00 26.20 C ATOM 936 H VAL A 110 13.075 -12.926 -4.072 1.00 0.00 H TER 937 VAL A 110 HETATM 938 O HOH 1 -13.265 -25.512 -3.884 1.00 48.03 O HETATM 939 O HOH 2 -0.506 -6.582 0.367 1.00 32.57 O HETATM 940 O HOH 3 -18.629 -20.663 5.081 1.00 29.47 O HETATM 941 O HOH 4 5.651 0.003 -6.149 1.00 46.32 O HETATM 942 O HOH 5 -1.711 -21.722 7.922 1.00 41.11 O HETATM 943 O HOH 6 4.309 -9.602 7.626 1.00 58.60 O HETATM 944 O HOH 7 -7.413 -22.168 7.827 1.00 40.38 O HETATM 945 O HOH 8 8.578 -9.489 2.196 1.00 36.90 O HETATM 946 O HOH 9 -15.486 -22.970 7.384 1.00 43.97 O HETATM 947 O HOH 10 9.700 -19.702 -10.671 1.00 33.28 O HETATM 948 O HOH 11 -10.750 -9.551 -5.775 1.00 41.27 O HETATM 949 O HOH 12 -7.911 -18.858 -15.362 1.00 28.28 O HETATM 950 O HOH 13 -15.333 -6.866 2.583 1.00 54.73 O HETATM 951 O HOH 14 10.950 -23.429 1.697 1.00 37.43 O HETATM 952 O HOH 15 1.768 -27.679 0.916 1.00 45.93 O HETATM 953 O HOH 16 5.572 -25.463 -12.678 1.00 30.46 O HETATM 954 O HOH 17 -5.550 -25.705 -10.276 1.00 23.91 O HETATM 955 O HOH 18 1.371 -23.116 5.037 1.00 32.99 O HETATM 956 O HOH 19 9.538 -16.990 0.839 1.00 22.46 O HETATM 957 O HOH 20 -13.661 -27.172 -0.320 1.00 27.43 O HETATM 958 O HOH 21 -16.889 -18.553 -12.416 1.00 47.21 O HETATM 959 O HOH 22 3.307 -26.399 -1.414 1.00 32.45 O HETATM 960 O HOH 23 -7.186 -9.832 -7.690 1.00 24.66 O HETATM 961 O HOH 24 -12.527 -6.002 7.968 1.00 46.97 O HETATM 962 O HOH 25 -29.409 -12.756 2.828 1.00 66.44 O HETATM 963 O HOH 26 -6.585 -14.409 -14.806 1.00 27.82 O HETATM 964 O HOH 27 3.147 -12.359 -16.427 1.00 34.88 O HETATM 965 O HOH 28 1.391 -16.189 9.950 1.00 35.74 O HETATM 966 O HOH 29 -7.088 -10.086 1.654 1.00 33.34 O HETATM 967 O HOH 30 0.248 -18.146 -18.806 1.00 46.54 O HETATM 968 O HOH 31 4.517 -24.053 -4.943 1.00 17.61 O HETATM 969 O HOH 32 -17.596 -14.054 5.011 1.00 35.02 O HETATM 970 O HOH 33 -20.454 -12.661 3.232 1.00 31.71 O HETATM 971 O HOH 34 -20.061 -12.708 -6.386 1.00 41.19 O HETATM 972 O HOH 35 -3.523 -13.900 9.771 1.00 30.43 O HETATM 973 O HOH 36 15.740 -15.809 0.143 1.00 27.01 O HETATM 974 O HOH 37 -16.256 -6.389 -6.285 1.00 40.98 O HETATM 975 O HOH 38 -21.283 -15.813 -4.696 1.00 52.79 O HETATM 976 O HOH 39 12.369 -17.620 0.412 1.00 21.78 O HETATM 977 O HOH 40 0.601 -14.083 13.700 1.00 53.25 O HETATM 978 O HOH 41 5.966 -26.634 -5.560 1.00 28.54 O HETATM 979 O HOH 42 13.127 -8.170 -2.792 1.00 38.79 O HETATM 980 O HOH 43 1.741 -9.724 16.930 1.00 52.03 O HETATM 981 O HOH 44 -8.693 -16.374 -14.852 1.00 29.43 O HETATM 982 O HOH 45 -0.528 -30.993 -5.641 1.00 62.22 O HETATM 983 O HOH 46 -16.154 -26.610 -3.942 1.00 29.22 O HETATM 984 O HOH 47 12.019 -20.992 -7.010 1.00 30.34 O HETATM 985 O HOH 48 -19.322 -21.941 -1.773 1.00 30.16 O HETATM 986 O HOH 49 1.808 -22.981 2.587 1.00 37.92 O HETATM 987 O HOH 50 0.655 -22.088 9.702 1.00 51.41 O HETATM 988 O HOH 51 11.707 -21.008 0.683 1.00 47.20 O HETATM 989 O HOH 52 -9.708 -8.242 3.406 1.00 38.80 O HETATM 990 O HOH 53 -19.471 -17.827 -5.236 1.00 42.03 O HETATM 991 O HOH 54 -4.655 -16.047 11.057 1.00 39.06 O HETATM 992 O HOH 55 18.523 -12.892 -1.661 1.00 42.55 O HETATM 993 O HOH 56 -11.867 -20.373 7.430 1.00 39.22 O HETATM 994 O HOH 57 -3.843 -11.008 10.400 1.00 36.78 O HETATM 995 O HOH 58 -6.976 -31.783 -4.073 1.00 50.07 O HETATM 996 O HOH 59 4.937 -4.054 -6.534 1.00 36.47 O HETATM 997 O HOH 60 -2.893 -7.516 9.366 1.00 46.11 O HETATM 998 O HOH 61 3.056 0.462 6.697 1.00 39.01 O HETATM 999 O HOH 62 -7.468 -30.061 2.507 1.00 40.63 O HETATM 1000 O HOH 63 14.634 -20.367 -7.115 1.00 34.70 O HETATM 1001 O HOH 64 -15.189 -24.694 -5.356 1.00 30.98 O HETATM 1002 O HOH 65 8.203 -25.264 -13.129 1.00 39.12 O HETATM 1003 C1 UNN A 66 -21.704 -7.880 -6.002 1.00 0.02 C HETATM 1004 N4 UNN A 66 -20.640 -8.399 -5.193 1.00 -0.27 N HETATM 1005 C35 UNN A 66 -21.034 -9.166 -4.003 1.00 0.07 C HETATM 1006 C34 UNN A 66 -19.864 -9.241 -2.980 1.00 -0.01 C HETATM 1007 N3 UNN A 66 -18.622 -9.697 -3.694 1.00 0.26 N HETATM 1008 C31 UNN A 66 -17.527 -10.410 -2.930 1.00 -0.02 C HETATM 1009 C30 UNN A 66 -16.805 -9.521 -1.842 1.00 -0.01 C HETATM 1010 C12 UNN A 66 -15.755 -10.312 -0.986 1.00 -0.04 C HETATM 1011 C11 UNN A 66 -14.730 -11.047 -1.917 1.00 -0.02 C HETATM 1012 C10 UNN A 66 -13.778 -11.861 -1.025 1.00 0.03 C HETATM 1013 N2 UNN A 66 -12.708 -12.581 -1.727 1.00 -0.32 N HETATM 1014 C7 UNN A 66 -11.526 -12.012 -2.049 1.00 0.03 C HETATM 1015 C6 UNN A 66 -10.576 -12.801 -2.732 1.00 -0.06 C HETATM 1016 C5 UNN A 66 -9.318 -12.315 -3.085 1.00 -0.05 C HETATM 1017 C4 UNN A 66 -9.002 -10.994 -2.712 1.00 0.06 C HETATM 1018 C9 UNN A 66 -9.931 -10.196 -2.023 1.00 -0.05 C HETATM 1019 C8 UNN A 66 -11.187 -10.692 -1.679 1.00 -0.06 C HETATM 1020 H7 UNN A 66 -11.893 -10.074 -1.136 1.00 0.05 H HETATM 1021 H8 UNN A 66 -9.667 -9.179 -1.755 1.00 0.05 H HETATM 1022 N1 UNN A 66 -7.735 -10.450 -3.009 1.00 -0.20 N HETATM 1023 C13 UNN A 66 -6.816 -10.559 -1.848 1.00 0.12 C HETATM 1024 C17 UNN A 66 -5.638 -9.591 -1.917 1.00 -0.02 C HETATM 1025 C16 UNN A 66 -5.259 -8.998 -3.136 1.00 -0.04 C HETATM 1026 C15 UNN A 66 -6.008 -9.330 -4.445 1.00 0.07 C HETATM 1027 C14 UNN A 66 -7.381 -9.900 -4.201 1.00 0.21 C HETATM 1028 O3 UNN A 66 -8.181 -9.849 -5.118 1.00 -0.38 O HETATM 1029 H15 UNN A 66 -6.110 -8.408 -5.036 1.00 0.06 H HETATM 1030 H16 UNN A 66 -5.417 -10.065 -5.011 1.00 0.06 H HETATM 1031 C21 UNN A 66 -4.157 -8.102 -3.144 1.00 -0.04 C HETATM 1032 C20 UNN A 66 -3.473 -7.818 -1.918 1.00 0.11 C HETATM 1033 C19 UNN A 66 -3.871 -8.416 -0.716 1.00 0.11 C HETATM 1034 C18 UNN A 66 -4.968 -9.308 -0.719 1.00 -0.04 C HETATM 1035 H17 UNN A 66 -5.291 -9.773 0.205 1.00 0.04 H HETATM 1036 O2 UNN A 66 -3.159 -8.096 0.455 1.00 -0.32 O HETATM 1037 C27 UNN A 66 -3.487 -8.675 1.742 1.00 0.07 C HETATM 1038 C28 UNN A 66 -2.908 -7.723 2.821 1.00 -0.04 C HETATM 1039 H26 UNN A 66 -3.133 -8.122 3.821 1.00 0.03 H HETATM 1040 H27 UNN A 66 -3.362 -6.727 2.713 1.00 0.03 H HETATM 1041 H28 UNN A 66 -1.818 -7.644 2.694 1.00 0.03 H HETATM 1042 C29 UNN A 66 -2.891 -10.091 1.959 1.00 -0.04 C HETATM 1043 H29 UNN A 66 -3.182 -10.463 2.953 1.00 0.03 H HETATM 1044 H30 UNN A 66 -1.794 -10.041 1.892 1.00 0.03 H HETATM 1045 H31 UNN A 66 -3.275 -10.773 1.186 1.00 0.03 H HETATM 1046 H25 UNN A 66 -4.581 -8.735 1.840 1.00 0.06 H HETATM 1047 O1 UNN A 66 -2.384 -6.955 -1.789 1.00 -0.33 O HETATM 1048 C22 UNN A 66 -1.824 -6.257 -2.922 1.00 0.06 C HETATM 1049 H19 UNN A 66 -0.979 -5.636 -2.589 1.00 0.06 H HETATM 1050 H20 UNN A 66 -2.594 -5.615 -3.374 1.00 0.06 H HETATM 1051 H21 UNN A 66 -1.472 -6.987 -3.665 1.00 0.06 H HETATM 1052 H18 UNN A 66 -3.837 -7.637 -4.069 1.00 0.04 H HETATM 1053 C24 UNN A 66 -6.261 -12.002 -1.694 1.00 -0.00 C HETATM 1054 C23 UNN A 66 -6.735 -12.890 -0.684 1.00 -0.06 C HETATM 1055 C3 UNN A 66 -6.203 -14.209 -0.590 1.00 -0.05 C HETATM 1056 C2 UNN A 66 -5.211 -14.616 -1.505 1.00 0.03 C HETATM 1057 CL1 UNN A 66 -4.487 -16.225 -1.477 1.00 -0.08 CL HETATM 1058 C26 UNN A 66 -4.742 -13.748 -2.510 1.00 -0.05 C HETATM 1059 C25 UNN A 66 -5.272 -12.448 -2.602 1.00 -0.06 C HETATM 1060 H23 UNN A 66 -4.918 -11.780 -3.378 1.00 0.06 H HETATM 1061 H24 UNN A 66 -3.980 -14.079 -3.206 1.00 0.06 H HETATM 1062 H4 UNN A 66 -6.557 -14.890 0.175 1.00 0.06 H HETATM 1063 H22 UNN A 66 -7.499 -12.562 0.012 1.00 0.06 H HETATM 1064 H14 UNN A 66 -7.399 -10.317 -0.947 1.00 0.09 H HETATM 1065 H5 UNN A 66 -8.609 -12.931 -3.627 1.00 0.05 H HETATM 1066 H6 UNN A 66 -10.834 -13.822 -2.991 1.00 0.05 H HETATM 1067 C38 UNN A 66 -12.938 -14.012 -2.039 1.00 0.01 C HETATM 1068 H46 UNN A 66 -12.060 -14.419 -2.562 1.00 0.05 H HETATM 1069 H47 UNN A 66 -13.825 -14.109 -2.682 1.00 0.05 H HETATM 1070 H48 UNN A 66 -13.100 -14.570 -1.105 1.00 0.05 H HETATM 1071 H9 UNN A 66 -14.379 -12.601 -0.476 1.00 0.05 H HETATM 1072 H10 UNN A 66 -13.308 -11.168 -0.312 1.00 0.05 H HETATM 1073 C33 UNN A 66 -15.479 -11.922 -2.971 1.00 -0.04 C HETATM 1074 C32 UNN A 66 -16.438 -11.054 -3.847 1.00 -0.01 C HETATM 1075 H35 UNN A 66 -15.863 -10.261 -4.348 1.00 0.03 H HETATM 1076 H36 UNN A 66 -16.922 -11.690 -4.603 1.00 0.03 H HETATM 1077 H37 UNN A 66 -16.068 -12.689 -2.447 1.00 0.03 H HETATM 1078 H38 UNN A 66 -14.739 -12.409 -3.623 1.00 0.03 H HETATM 1079 H11 UNN A 66 -14.139 -10.295 -2.460 1.00 0.03 H HETATM 1080 H12 UNN A 66 -15.214 -9.608 -0.336 1.00 0.03 H HETATM 1081 H13 UNN A 66 -16.279 -11.055 -0.366 1.00 0.03 H HETATM 1082 H32 UNN A 66 -16.287 -8.696 -2.354 1.00 0.03 H HETATM 1083 H33 UNN A 66 -17.569 -9.111 -1.165 1.00 0.03 H HETATM 1084 H34 UNN A 66 -18.022 -11.232 -2.393 1.00 0.09 H HETATM 1085 C37 UNN A 66 -18.193 -8.693 -4.713 1.00 0.06 C HETATM 1086 C36 UNN A 66 -19.333 -8.156 -5.551 1.00 0.22 C HETATM 1087 O4 UNN A 66 -18.994 -7.508 -6.542 1.00 -0.39 O HETATM 1088 H44 UNN A 66 -17.462 -9.168 -5.384 1.00 0.11 H HETATM 1089 H45 UNN A 66 -17.717 -7.849 -4.191 1.00 0.11 H HETATM 1090 H39 UNN A 66 -18.975 -10.450 -4.264 1.00 0.21 H HETATM 1091 H40 UNN A 66 -19.694 -8.247 -2.540 1.00 0.08 H HETATM 1092 H41 UNN A 66 -20.116 -9.956 -2.183 1.00 0.08 H HETATM 1093 H42 UNN A 66 -21.897 -8.676 -3.528 1.00 0.06 H HETATM 1094 H43 UNN A 66 -21.312 -10.186 -4.307 1.00 0.06 H HETATM 1095 H1 UNN A 66 -22.671 -8.171 -5.566 1.00 0.05 H HETATM 1096 H2 UNN A 66 -21.623 -8.288 -7.020 1.00 0.05 H HETATM 1097 H3 UNN A 66 -21.634 -6.783 -6.040 1.00 0.05 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1003 1004 1095 1096 1097 CONECT 1004 1003 1005 1086 CONECT 1005 1004 1006 1093 1094 CONECT 1006 1005 1007 1091 1092 CONECT 1007 1006 1008 1085 1090 CONECT 1008 1007 1009 1074 1084 CONECT 1009 1008 1010 1082 1083 CONECT 1010 1009 1011 1080 1081 CONECT 1011 1010 1012 1073 1079 CONECT 1012 1011 1013 1071 1072 CONECT 1013 1012 1014 1067 CONECT 1014 1013 1015 1019 CONECT 1015 1014 1016 1066 CONECT 1016 1015 1017 1065 CONECT 1017 1016 1018 1022 CONECT 1018 1017 1019 1021 CONECT 1019 1014 1018 1020 CONECT 1020 1019 CONECT 1021 1018 CONECT 1022 1017 1023 1027 CONECT 1023 1022 1024 1053 1064 CONECT 1024 1023 1025 1034 CONECT 1025 1024 1026 1031 CONECT 1026 1025 1027 1029 1030 CONECT 1027 1022 1026 1028 CONECT 1028 1027 CONECT 1029 1026 CONECT 1030 1026 CONECT 1031 1025 1032 1052 CONECT 1032 1031 1033 1047 CONECT 1033 1032 1034 1036 CONECT 1034 1024 1033 1035 CONECT 1035 1034 CONECT 1036 1033 1037 CONECT 1037 1036 1038 1042 1046 CONECT 1038 1037 1039 1040 1041 CONECT 1039 1038 CONECT 1040 1038 CONECT 1041 1038 CONECT 1042 1037 1043 1044 1045 CONECT 1043 1042 CONECT 1044 1042 CONECT 1045 1042 CONECT 1046 1037 CONECT 1047 1032 1048 CONECT 1048 1047 1049 1050 1051 CONECT 1049 1048 CONECT 1050 1048 CONECT 1051 1048 CONECT 1052 1031 CONECT 1053 1023 1054 1059 CONECT 1054 1053 1055 1063 CONECT 1055 1054 1056 1062 CONECT 1056 1055 1057 1058 CONECT 1057 1056 CONECT 1058 1056 1059 1061 CONECT 1059 1053 1058 1060 CONECT 1060 1059 CONECT 1061 1058 CONECT 1062 1055 CONECT 1063 1054 CONECT 1064 1023 CONECT 1065 1016 CONECT 1066 1015 CONECT 1067 1013 1068 1069 1070 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1067 CONECT 1071 1012 CONECT 1072 1012 CONECT 1073 1011 1074 1077 1078 CONECT 1074 1008 1073 1075 1076 CONECT 1075 1074 CONECT 1076 1074 CONECT 1077 1073 CONECT 1078 1073 CONECT 1079 1011 CONECT 1080 1010 CONECT 1081 1010 CONECT 1082 1009 CONECT 1083 1009 CONECT 1084 1008 CONECT 1085 1007 1086 1088 1089 CONECT 1086 1004 1085 1087 CONECT 1087 1086 CONECT 1088 1085 CONECT 1089 1085 CONECT 1090 1007 CONECT 1091 1006 CONECT 1092 1006 CONECT 1093 1005 CONECT 1094 1005 CONECT 1095 1003 CONECT 1096 1003 CONECT 1097 1003 MASTER 0 0 0 0 0 0 0 0 1096 1 99 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4zyf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
RCSB PDB
PDBbind
115aa, >2AXI_1|Chain... at 95%
2gv2
RCSB PDB
PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
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
4zyf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
4T4
EC.Number
E.C.6.3.2.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6348-6358
Ligand Properties
Formula
C
3
8
H
4
8
ClN
4
O
4
Molecular Weight
660.265
Exact Mass
659.336
No. of atoms
95
No. of bonds
100
Polar Surface Area
66.76
LOGP Value
6.50 (
Computed with XLOGP3
)
6.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
Canonical SMILES
COc1cc2CC(=O)N([C@H](c2cc1OC(C)C)c1ccc(cc1)Cl)c1ccc(cc1)N(C[C@@H]1CC[C@H](CC1)[N@H+]1CCN(C(=O)C1)C)C
InChI String
InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/p+1/t26-,31-,38-/m0/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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com