Browse entries in the PDBbind-CN Database
HEADER 6Q9Y_COMPLEX COMPND 6Q9Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS ILE LEU HIS SEQRES 2 A 85 ALA ALA GLY ALA GLN GLY GLU MET PHE THR VAL LYS GLU SEQRES 3 A 85 VAL MET HIS TYR LEU GLY GLN TYR ILE MET VAL LYS GLN SEQRES 4 A 85 LEU TYR ASP GLN GLN GLU GLN HIS MET VAL TYR CYS GLY SEQRES 5 A 85 GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG GLN SER PHE SEQRES 6 A 85 SER VAL LYS ASP PRO SER PRO LEU TYR ASP MET LEU ARG SEQRES 7 A 85 LYS ASN LEU VAL THR LEU ALA HET HRQ A 167 49 ATOM 1 N GLN A 27 5.086 -5.158 -22.411 1.00 19.74 N ATOM 2 CA GLN A 27 6.019 -5.095 -21.264 1.00 18.32 C ATOM 3 C GLN A 27 5.437 -5.602 -19.953 1.00 16.78 C ATOM 4 O GLN A 27 6.210 -6.046 -19.089 1.00 16.46 O ATOM 5 CB GLN A 27 6.679 -3.718 -21.094 1.00 19.59 C ATOM 6 CG GLN A 27 5.796 -2.490 -21.110 1.00 21.85 C ATOM 7 CD GLN A 27 6.567 -1.258 -21.576 1.00 25.56 C ATOM 8 OE1 GLN A 27 6.003 -0.194 -21.687 1.00 27.77 O ATOM 9 NE2 GLN A 27 7.866 -1.416 -21.856 1.00 27.90 N ATOM 10 HE22 GLN A 27 8.312 -2.349 -21.747 1.00 0.00 H ATOM 11 HE21 GLN A 27 8.430 -0.606 -22.183 1.00 0.00 H ATOM 12 HN3 GLN A 27 4.247 -4.578 -22.206 1.00 0.00 H ATOM 13 HN2 GLN A 27 4.797 -6.145 -22.568 1.00 0.00 H ATOM 14 HN1 GLN A 27 5.560 -4.795 -23.262 1.00 0.00 H ATOM 15 N VAL A 28 4.110 -5.576 -19.799 1.00 15.12 N ATOM 16 CA VAL A 28 3.484 -5.948 -18.530 1.00 14.47 C ATOM 17 C VAL A 28 2.177 -6.709 -18.740 1.00 14.40 C ATOM 18 O VAL A 28 1.495 -6.540 -19.759 1.00 15.18 O ATOM 19 CB VAL A 28 3.219 -4.696 -17.619 1.00 14.40 C ATOM 20 CG1 VAL A 28 4.521 -4.054 -17.166 1.00 15.87 C ATOM 21 CG2 VAL A 28 2.333 -3.666 -18.323 1.00 14.15 C ATOM 22 H VAL A 28 3.510 -5.285 -20.597 1.00 0.00 H ATOM 23 N ARG A 29 1.827 -7.522 -17.750 1.00 14.88 N ATOM 24 CA ARG A 29 0.547 -8.181 -17.686 1.00 15.60 C ATOM 25 C ARG A 29 -0.151 -7.831 -16.376 1.00 14.53 C ATOM 26 O ARG A 29 0.419 -8.004 -15.300 1.00 15.10 O ATOM 27 CB ARG A 29 0.713 -9.674 -17.816 1.00 16.78 C ATOM 28 CG ARG A 29 -0.603 -10.405 -17.768 1.00 17.76 C ATOM 29 CD ARG A 29 -0.411 -11.867 -18.068 1.00 16.99 C ATOM 30 NE ARG A 29 0.699 -12.402 -17.289 1.00 18.12 N ATOM 31 CZ ARG A 29 0.620 -12.683 -15.998 1.00 16.89 C ATOM 32 NH1 ARG A 29 1.697 -13.137 -15.366 1.00 17.96 N ATOM 33 NH2 ARG A 29 -0.533 -12.509 -15.351 1.00 16.79 N ATOM 34 HE ARG A 29 1.603 -12.572 -17.774 1.00 0.00 H ATOM 35 HH12 ARG A 29 1.649 -13.362 -14.352 1.00 0.00 H ATOM 36 HH11 ARG A 29 2.588 -13.268 -15.886 1.00 0.00 H ATOM 37 HH22 ARG A 29 -0.598 -12.729 -14.337 1.00 0.00 H ATOM 38 HH21 ARG A 29 -1.367 -12.153 -15.861 1.00 0.00 H ATOM 39 H ARG A 29 2.510 -7.691 -16.984 1.00 0.00 H ATOM 40 N PRO A 30 -1.402 -7.359 -16.453 1.00 13.10 N ATOM 41 CA PRO A 30 -2.151 -6.979 -15.251 1.00 12.96 C ATOM 42 C PRO A 30 -2.805 -8.138 -14.520 1.00 12.25 C ATOM 43 O PRO A 30 -3.317 -9.079 -15.147 1.00 13.26 O ATOM 44 CB PRO A 30 -3.222 -6.020 -15.787 1.00 12.51 C ATOM 45 CG PRO A 30 -2.846 -5.769 -17.236 1.00 15.67 C ATOM 46 CD PRO A 30 -2.109 -6.956 -17.681 1.00 13.50 C ATOM 47 N LYS A 31 -2.788 -8.060 -13.191 1.00 12.44 N ATOM 48 CA LYS A 31 -3.524 -9.000 -12.341 1.00 13.07 C ATOM 49 C LYS A 31 -5.027 -8.753 -12.473 1.00 12.86 C ATOM 50 O LYS A 31 -5.434 -7.684 -12.926 1.00 12.47 O ATOM 51 CB LYS A 31 -3.076 -8.879 -10.879 1.00 14.72 C ATOM 52 CG LYS A 31 -1.615 -9.251 -10.632 1.00 16.65 C ATOM 53 CD LYS A 31 -1.292 -9.254 -9.152 1.00 19.87 C ATOM 54 CE LYS A 31 0.196 -9.403 -8.919 1.00 22.24 C ATOM 55 NZ LYS A 31 0.523 -9.258 -7.479 1.00 24.22 N ATOM 56 HZ1 LYS A 31 0.225 -8.318 -7.150 1.00 0.00 H ATOM 57 HZ2 LYS A 31 0.024 -9.991 -6.936 1.00 0.00 H ATOM 58 HZ3 LYS A 31 1.549 -9.364 -7.345 1.00 0.00 H ATOM 59 H LYS A 31 -2.233 -7.305 -12.740 1.00 0.00 H ATOM 60 N LEU A 32 -5.832 -9.725 -12.042 1.00 12.84 N ATOM 61 CA LEU A 32 -7.261 -9.777 -12.315 1.00 13.63 C ATOM 62 C LEU A 32 -8.054 -8.475 -12.154 1.00 13.00 C ATOM 63 O LEU A 32 -8.737 -8.088 -13.077 1.00 13.14 O ATOM 64 CB LEU A 32 -7.936 -10.911 -11.526 1.00 14.75 C ATOM 65 CG LEU A 32 -9.454 -11.028 -11.720 1.00 17.42 C ATOM 66 CD1 LEU A 32 -9.837 -11.311 -13.181 1.00 19.79 C ATOM 67 CD2 LEU A 32 -10.037 -12.078 -10.788 1.00 19.22 C ATOM 68 H LEU A 32 -5.414 -10.492 -11.477 1.00 0.00 H ATOM 69 N PRO A 33 -8.005 -7.817 -10.975 1.00 12.77 N ATOM 70 CA PRO A 33 -8.892 -6.651 -10.831 1.00 12.55 C ATOM 71 C PRO A 33 -8.492 -5.540 -11.803 1.00 11.31 C ATOM 72 O PRO A 33 -9.363 -4.855 -12.348 1.00 12.76 O ATOM 73 CB PRO A 33 -8.704 -6.228 -9.362 1.00 13.30 C ATOM 74 CG PRO A 33 -7.418 -6.849 -8.958 1.00 13.62 C ATOM 75 CD PRO A 33 -7.281 -8.119 -9.730 1.00 13.72 C ATOM 76 N LEU A 34 -7.193 -5.365 -12.029 1.00 11.30 N ATOM 77 CA LEU A 34 -6.735 -4.377 -12.987 1.00 10.62 C ATOM 78 C LEU A 34 -7.086 -4.775 -14.409 1.00 10.44 C ATOM 79 O LEU A 34 -7.506 -3.942 -15.203 1.00 10.37 O ATOM 80 CB LEU A 34 -5.250 -4.096 -12.814 1.00 10.86 C ATOM 81 CG LEU A 34 -4.655 -3.030 -13.740 1.00 10.21 C ATOM 82 CD1 LEU A 34 -5.379 -1.708 -13.643 1.00 10.65 C ATOM 83 CD2 LEU A 34 -3.170 -2.862 -13.453 1.00 11.90 C ATOM 84 H LEU A 34 -6.499 -5.943 -11.513 1.00 0.00 H ATOM 85 N LEU A 35 -6.956 -6.058 -14.724 1.00 10.94 N ATOM 86 CA LEU A 35 -7.350 -6.542 -16.022 1.00 11.56 C ATOM 87 C LEU A 35 -8.817 -6.255 -16.319 1.00 11.30 C ATOM 88 O LEU A 35 -9.147 -5.821 -17.420 1.00 12.00 O ATOM 89 CB LEU A 35 -7.065 -8.042 -16.097 1.00 13.08 C ATOM 90 CG LEU A 35 -7.247 -8.712 -17.451 1.00 14.36 C ATOM 91 CD1 LEU A 35 -6.321 -8.117 -18.517 1.00 16.18 C ATOM 92 CD2 LEU A 35 -6.973 -10.178 -17.306 1.00 16.18 C ATOM 93 H LEU A 35 -6.565 -6.722 -14.025 1.00 0.00 H ATOM 94 N LYS A 36 -9.688 -6.475 -15.331 1.00 11.71 N ATOM 95 CA LYS A 36 -11.110 -6.186 -15.481 1.00 12.54 C ATOM 96 C LYS A 36 -11.348 -4.711 -15.801 1.00 11.00 C ATOM 97 O LYS A 36 -12.172 -4.376 -16.643 1.00 11.73 O ATOM 98 CB LYS A 36 -11.880 -6.556 -14.219 1.00 13.57 C ATOM 99 CG LYS A 36 -12.046 -8.045 -13.997 1.00 16.26 C ATOM 100 CD LYS A 36 -12.910 -8.335 -12.774 1.00 21.42 C ATOM 101 CE LYS A 36 -14.335 -7.818 -12.944 1.00 25.96 C ATOM 102 NZ LYS A 36 -15.250 -8.246 -11.842 1.00 28.59 N ATOM 103 HZ1 LYS A 36 -15.293 -9.285 -11.812 1.00 0.00 H ATOM 104 HZ2 LYS A 36 -14.890 -7.886 -10.935 1.00 0.00 H ATOM 105 HZ3 LYS A 36 -16.202 -7.864 -12.015 1.00 0.00 H ATOM 106 H LYS A 36 -9.343 -6.863 -14.430 1.00 0.00 H ATOM 107 N ILE A 37 -10.641 -3.823 -15.103 1.00 10.28 N ATOM 108 CA ILE A 37 -10.754 -2.396 -15.337 1.00 9.74 C ATOM 109 C ILE A 37 -10.312 -2.059 -16.765 1.00 9.35 C ATOM 110 O ILE A 37 -11.013 -1.343 -17.481 1.00 10.07 O ATOM 111 CB ILE A 37 -9.938 -1.648 -14.278 1.00 9.99 C ATOM 112 CG1 ILE A 37 -10.630 -1.744 -12.908 1.00 11.24 C ATOM 113 CG2 ILE A 37 -9.722 -0.183 -14.663 1.00 11.06 C ATOM 114 CD1 ILE A 37 -9.797 -1.292 -11.719 1.00 12.33 C ATOM 115 H ILE A 37 -9.988 -4.163 -14.368 1.00 0.00 H ATOM 116 N LEU A 38 -9.169 -2.587 -17.191 1.00 9.88 N ATOM 117 CA LEU A 38 -8.689 -2.261 -18.525 1.00 10.26 C ATOM 118 C LEU A 38 -9.647 -2.775 -19.603 1.00 10.04 C ATOM 119 O LEU A 38 -9.923 -2.077 -20.588 1.00 10.26 O ATOM 120 CB LEU A 38 -7.277 -2.782 -18.762 1.00 11.10 C ATOM 121 CG LEU A 38 -6.223 -2.310 -17.742 1.00 11.70 C ATOM 122 CD1 LEU A 38 -4.888 -2.921 -18.120 1.00 15.45 C ATOM 123 CD2 LEU A 38 -6.109 -0.798 -17.603 1.00 12.79 C ATOM 124 H LEU A 38 -8.624 -3.226 -16.578 1.00 0.00 H ATOM 125 N HIS A 39 -10.177 -3.983 -19.417 1.00 10.56 N ATOM 126 CA HIS A 39 -11.169 -4.530 -20.351 1.00 11.00 C ATOM 127 C HIS A 39 -12.436 -3.662 -20.400 1.00 11.07 C ATOM 128 O HIS A 39 -12.999 -3.446 -21.476 1.00 11.24 O ATOM 129 CB HIS A 39 -11.526 -5.967 -19.976 1.00 11.96 C ATOM 130 CG HIS A 39 -10.460 -6.965 -20.307 1.00 13.45 C ATOM 131 ND1 HIS A 39 -10.472 -8.252 -19.806 1.00 16.33 N ATOM 132 CD2 HIS A 39 -9.338 -6.867 -21.060 1.00 14.57 C ATOM 133 CE1 HIS A 39 -9.418 -8.909 -20.261 1.00 16.96 C ATOM 134 NE2 HIS A 39 -8.721 -8.096 -21.036 1.00 16.19 N ATOM 135 H HIS A 39 -9.883 -4.549 -18.595 1.00 0.00 H ATOM 136 N ALA A 40 -12.880 -3.164 -19.247 1.00 11.03 N ATOM 137 CA ALA A 40 -14.057 -2.302 -19.208 1.00 11.33 C ATOM 138 C ALA A 40 -13.830 -1.011 -20.000 1.00 11.74 C ATOM 139 O ALA A 40 -14.782 -0.416 -20.515 1.00 13.56 O ATOM 140 CB ALA A 40 -14.423 -2.007 -17.767 1.00 11.76 C ATOM 141 H ALA A 40 -12.381 -3.392 -18.363 1.00 0.00 H ATOM 142 N ALA A 41 -12.568 -0.616 -20.151 1.00 11.30 N ATOM 143 CA ALA A 41 -12.190 0.570 -20.912 1.00 11.39 C ATOM 144 C ALA A 41 -11.920 0.276 -22.387 1.00 11.61 C ATOM 145 O ALA A 41 -11.502 1.171 -23.112 1.00 13.46 O ATOM 146 CB ALA A 41 -10.968 1.219 -20.287 1.00 11.75 C ATOM 147 H ALA A 41 -11.816 -1.179 -19.705 1.00 0.00 H ATOM 148 N GLY A 42 -12.124 -0.965 -22.823 1.00 11.62 N ATOM 149 CA GLY A 42 -11.983 -1.308 -24.230 1.00 12.21 C ATOM 150 C GLY A 42 -10.721 -2.078 -24.594 1.00 11.34 C ATOM 151 O GLY A 42 -10.541 -2.434 -25.763 1.00 12.83 O ATOM 152 H GLY A 42 -12.390 -1.706 -22.143 1.00 0.00 H ATOM 153 N ALA A 43 -9.839 -2.343 -23.629 1.00 10.77 N ATOM 154 CA ALA A 43 -8.630 -3.113 -23.931 1.00 10.51 C ATOM 155 C ALA A 43 -8.958 -4.579 -24.224 1.00 10.28 C ATOM 156 O ALA A 43 -9.884 -5.140 -23.619 1.00 11.96 O ATOM 157 CB ALA A 43 -7.640 -3.026 -22.777 1.00 10.99 C ATOM 158 H ALA A 43 -10.010 -2.003 -22.661 1.00 0.00 H ATOM 159 N GLN A 44 -8.189 -5.192 -25.127 1.00 10.52 N ATOM 160 CA GLN A 44 -8.311 -6.622 -25.413 1.00 11.33 C ATOM 161 C GLN A 44 -7.044 -7.357 -24.991 1.00 11.06 C ATOM 162 O GLN A 44 -5.936 -6.827 -25.099 1.00 11.95 O ATOM 163 CB GLN A 44 -8.548 -6.843 -26.904 1.00 11.78 C ATOM 164 CG GLN A 44 -9.871 -6.290 -27.434 1.00 14.92 C ATOM 165 CD GLN A 44 -11.037 -7.227 -27.248 1.00 18.10 C ATOM 166 OE1 GLN A 44 -10.921 -8.288 -26.633 1.00 19.79 O ATOM 167 NE2 GLN A 44 -12.181 -6.844 -27.807 1.00 21.33 N ATOM 168 HE22 GLN A 44 -12.233 -5.939 -28.317 1.00 0.00 H ATOM 169 HE21 GLN A 44 -13.024 -7.449 -27.734 1.00 0.00 H ATOM 170 H GLN A 44 -7.480 -4.635 -25.644 1.00 0.00 H ATOM 171 N GLY A 45 -7.214 -8.594 -24.527 1.00 11.96 N ATOM 172 CA GLY A 45 -6.093 -9.453 -24.170 1.00 12.40 C ATOM 173 C GLY A 45 -5.537 -9.137 -22.804 1.00 12.47 C ATOM 174 O GLY A 45 -6.173 -8.446 -21.993 1.00 13.10 O ATOM 175 H GLY A 45 -8.181 -8.959 -24.416 1.00 0.00 H ATOM 176 N GLU A 46 -4.344 -9.657 -22.537 1.00 13.19 N ATOM 177 CA GLU A 46 -3.736 -9.447 -21.225 1.00 14.83 C ATOM 178 C GLU A 46 -2.290 -8.996 -21.242 1.00 14.50 C ATOM 179 O GLU A 46 -1.645 -8.920 -20.187 1.00 15.93 O ATOM 180 CB GLU A 46 -3.920 -10.662 -20.324 1.00 17.01 C ATOM 181 CG GLU A 46 -3.178 -11.871 -20.741 1.00 19.90 C ATOM 182 CD GLU A 46 -3.357 -13.009 -19.741 1.00 22.52 C ATOM 183 OE1 GLU A 46 -3.805 -12.761 -18.586 1.00 21.61 O ATOM 184 OE2 GLU A 46 -3.059 -14.165 -20.113 1.00 25.87 O ATOM 185 H GLU A 46 -3.844 -10.212 -23.260 1.00 0.00 H ATOM 186 N MET A 47 -1.788 -8.652 -22.414 1.00 13.81 N ATOM 187 CA MET A 47 -0.418 -8.179 -22.499 1.00 14.39 C ATOM 188 C MET A 47 -0.384 -6.775 -23.059 1.00 13.61 C ATOM 189 O MET A 47 -0.979 -6.474 -24.097 1.00 14.03 O ATOM 190 CB MET A 47 0.474 -9.150 -23.279 1.00 15.37 C ATOM 191 CG MET A 47 0.746 -10.450 -22.535 1.00 18.47 C ATOM 192 SD MET A 47 1.752 -11.626 -23.439 1.00 23.25 S ATOM 193 CE MET A 47 0.622 -12.066 -24.750 1.00 23.08 C ATOM 194 H MET A 47 -2.371 -8.720 -23.272 1.00 0.00 H ATOM 195 N PHE A 48 0.302 -5.898 -22.326 1.00 12.57 N ATOM 196 CA PHE A 48 0.273 -4.464 -22.649 1.00 11.85 C ATOM 197 C PHE A 48 1.621 -3.780 -22.439 1.00 12.13 C ATOM 198 O PHE A 48 2.507 -4.285 -21.743 1.00 13.33 O ATOM 199 CB PHE A 48 -0.786 -3.747 -21.786 1.00 12.32 C ATOM 200 CG PHE A 48 -2.170 -4.310 -21.947 1.00 11.17 C ATOM 201 CD1 PHE A 48 -2.919 -4.038 -23.095 1.00 11.83 C ATOM 202 CD2 PHE A 48 -2.719 -5.151 -20.973 1.00 12.17 C ATOM 203 CE1 PHE A 48 -4.178 -4.581 -23.265 1.00 12.54 C ATOM 204 CE2 PHE A 48 -3.987 -5.707 -21.142 1.00 12.94 C ATOM 205 CZ PHE A 48 -4.722 -5.418 -22.296 1.00 12.80 C ATOM 206 H PHE A 48 0.864 -6.232 -21.517 1.00 0.00 H ATOM 207 N THR A 49 1.784 -2.612 -23.037 1.00 11.10 N ATOM 208 CA THR A 49 2.861 -1.733 -22.631 1.00 11.60 C ATOM 209 C THR A 49 2.400 -0.937 -21.402 1.00 10.40 C ATOM 210 O THR A 49 1.189 -0.815 -21.121 1.00 10.34 O ATOM 211 CB THR A 49 3.281 -0.774 -23.748 1.00 11.88 C ATOM 212 OG1 THR A 49 2.247 0.194 -23.906 1.00 11.22 O ATOM 213 CG2 THR A 49 3.502 -1.516 -25.064 1.00 13.68 C ATOM 214 HG1 THR A 49 2.496 0.827 -24.625 1.00 0.00 H ATOM 215 H THR A 49 1.138 -2.324 -23.800 1.00 0.00 H ATOM 216 N VAL A 50 3.355 -0.363 -20.673 1.00 10.86 N ATOM 217 CA VAL A 50 2.994 0.481 -19.542 1.00 10.73 C ATOM 218 C VAL A 50 2.159 1.677 -20.004 1.00 9.94 C ATOM 219 O VAL A 50 1.165 2.029 -19.359 1.00 9.99 O ATOM 220 CB VAL A 50 4.246 0.926 -18.749 1.00 11.78 C ATOM 221 CG1 VAL A 50 3.880 1.935 -17.694 1.00 12.58 C ATOM 222 CG2 VAL A 50 4.911 -0.291 -18.095 1.00 13.78 C ATOM 223 H VAL A 50 4.356 -0.517 -20.910 1.00 0.00 H ATOM 224 N LYS A 51 2.541 2.266 -21.136 1.00 10.50 N ATOM 225 CA LYS A 51 1.779 3.383 -21.677 1.00 10.67 C ATOM 226 C LYS A 51 0.350 2.976 -22.020 1.00 9.72 C ATOM 227 O LYS A 51 -0.582 3.761 -21.785 1.00 10.20 O ATOM 228 CB LYS A 51 2.490 4.011 -22.880 1.00 11.83 C ATOM 229 CG LYS A 51 3.689 4.863 -22.472 1.00 14.05 C ATOM 230 CD LYS A 51 4.216 5.672 -23.614 1.00 19.09 C ATOM 231 CE LYS A 51 5.356 4.973 -24.281 1.00 21.83 C ATOM 232 NZ LYS A 51 5.997 5.925 -25.232 1.00 24.68 N ATOM 233 HZ1 LYS A 51 5.299 6.227 -25.941 1.00 0.00 H ATOM 234 HZ2 LYS A 51 6.343 6.755 -24.709 1.00 0.00 H ATOM 235 HZ3 LYS A 51 6.794 5.455 -25.707 1.00 0.00 H ATOM 236 H LYS A 51 3.387 1.927 -21.636 1.00 0.00 H ATOM 237 N GLU A 52 0.153 1.764 -22.538 1.00 9.59 N ATOM 238 CA GLU A 52 -1.209 1.288 -22.780 1.00 8.98 C ATOM 239 C GLU A 52 -2.006 1.206 -21.490 1.00 8.64 C ATOM 240 O GLU A 52 -3.181 1.567 -21.460 1.00 8.87 O ATOM 241 CB GLU A 52 -1.226 -0.083 -23.447 1.00 9.69 C ATOM 242 CG GLU A 52 -0.993 -0.067 -24.930 1.00 10.42 C ATOM 243 CD GLU A 52 -1.039 -1.463 -25.510 1.00 10.55 C ATOM 244 OE1 GLU A 52 -1.882 -1.743 -26.403 1.00 11.28 O ATOM 245 OE2 GLU A 52 -0.223 -2.289 -25.068 1.00 11.22 O ATOM 246 H GLU A 52 0.966 1.158 -22.770 1.00 0.00 H ATOM 247 N VAL A 53 -1.392 0.696 -20.425 1.00 8.84 N ATOM 248 CA VAL A 53 -2.094 0.598 -19.149 1.00 9.29 C ATOM 249 C VAL A 53 -2.536 1.989 -18.689 1.00 8.81 C ATOM 250 O VAL A 53 -3.675 2.179 -18.251 1.00 9.23 O ATOM 251 CB VAL A 53 -1.227 -0.102 -18.087 1.00 10.04 C ATOM 252 CG1 VAL A 53 -1.893 -0.032 -16.725 1.00 10.69 C ATOM 253 CG2 VAL A 53 -0.968 -1.561 -18.480 1.00 11.08 C ATOM 254 H VAL A 53 -0.409 0.366 -20.502 1.00 0.00 H ATOM 255 N MET A 54 -1.643 2.972 -18.785 1.00 9.07 N ATOM 256 CA MET A 54 -1.990 4.334 -18.402 1.00 9.19 C ATOM 257 C MET A 54 -3.129 4.893 -19.265 1.00 8.65 C ATOM 258 O MET A 54 -4.047 5.540 -18.756 1.00 8.88 O ATOM 259 CB MET A 54 -0.758 5.212 -18.481 1.00 10.64 C ATOM 260 CG MET A 54 0.278 4.846 -17.462 1.00 12.08 C ATOM 261 SD MET A 54 1.763 5.850 -17.571 1.00 13.92 S ATOM 262 CE MET A 54 2.609 5.195 -16.145 1.00 14.72 C ATOM 263 H MET A 54 -0.687 2.765 -19.137 1.00 0.00 H ATOM 264 N HIS A 55 -3.058 4.653 -20.572 1.00 8.61 N ATOM 265 CA HIS A 55 -4.089 5.067 -21.497 1.00 8.67 C ATOM 266 C HIS A 55 -5.445 4.482 -21.101 1.00 7.61 C ATOM 267 O HIS A 55 -6.443 5.203 -21.038 1.00 8.02 O ATOM 268 CB HIS A 55 -3.724 4.651 -22.923 1.00 9.68 C ATOM 269 CG HIS A 55 -4.838 4.849 -23.883 1.00 10.00 C ATOM 270 ND1 HIS A 55 -5.080 6.067 -24.480 1.00 14.11 N ATOM 271 CD2 HIS A 55 -5.822 4.018 -24.292 1.00 11.27 C ATOM 272 CE1 HIS A 55 -6.155 5.966 -25.239 1.00 14.48 C ATOM 273 NE2 HIS A 55 -6.633 4.738 -25.136 1.00 14.26 N ATOM 274 H HIS A 55 -2.228 4.148 -20.943 1.00 0.00 H ATOM 275 N TYR A 56 -5.487 3.170 -20.880 1.00 7.85 N ATOM 276 CA TYR A 56 -6.760 2.542 -20.566 1.00 8.10 C ATOM 277 C TYR A 56 -7.295 2.911 -19.188 1.00 7.67 C ATOM 278 O TYR A 56 -8.510 3.004 -19.020 1.00 8.13 O ATOM 279 CB TYR A 56 -6.704 1.027 -20.802 1.00 8.07 C ATOM 280 CG TYR A 56 -6.701 0.691 -22.281 1.00 8.23 C ATOM 281 CD1 TYR A 56 -7.830 0.924 -23.065 1.00 9.19 C ATOM 282 CD2 TYR A 56 -5.568 0.156 -22.894 1.00 9.66 C ATOM 283 CE1 TYR A 56 -7.839 0.638 -24.437 1.00 10.34 C ATOM 284 CE2 TYR A 56 -5.565 -0.148 -24.253 1.00 10.73 C ATOM 285 CZ TYR A 56 -6.693 0.116 -25.016 1.00 10.73 C ATOM 286 OH TYR A 56 -6.639 -0.160 -26.359 1.00 13.23 O ATOM 287 HH TYR A 56 -7.505 0.074 -26.778 1.00 0.00 H ATOM 288 H TYR A 56 -4.618 2.600 -20.931 1.00 0.00 H ATOM 289 N LEU A 57 -6.415 3.172 -18.220 1.00 7.84 N ATOM 290 CA LEU A 57 -6.880 3.678 -16.927 1.00 8.34 C ATOM 291 C LEU A 57 -7.548 5.046 -17.086 1.00 7.78 C ATOM 292 O LEU A 57 -8.573 5.326 -16.461 1.00 8.25 O ATOM 293 CB LEU A 57 -5.719 3.804 -15.960 1.00 9.68 C ATOM 294 CG LEU A 57 -5.284 2.534 -15.250 1.00 11.81 C ATOM 295 CD1 LEU A 57 -3.976 2.789 -14.525 1.00 13.34 C ATOM 296 CD2 LEU A 57 -6.351 2.041 -14.282 1.00 14.18 C ATOM 297 H LEU A 57 -5.400 3.016 -18.384 1.00 0.00 H ATOM 298 N GLY A 58 -6.948 5.920 -17.894 1.00 7.97 N ATOM 299 CA GLY A 58 -7.555 7.218 -18.137 1.00 8.28 C ATOM 300 C GLY A 58 -8.873 7.101 -18.863 1.00 8.21 C ATOM 301 O GLY A 58 -9.824 7.810 -18.546 1.00 8.88 O ATOM 302 H GLY A 58 -6.046 5.673 -18.350 1.00 0.00 H ATOM 303 N GLN A 59 -8.943 6.212 -19.850 1.00 8.40 N ATOM 304 CA GLN A 59 -10.182 5.974 -20.576 1.00 9.05 C ATOM 305 C GLN A 59 -11.262 5.485 -19.619 1.00 8.62 C ATOM 306 O GLN A 59 -12.407 5.900 -19.717 1.00 9.89 O ATOM 307 CB GLN A 59 -9.957 4.953 -21.690 1.00 9.88 C ATOM 308 CG GLN A 59 -9.250 5.517 -22.911 1.00 12.32 C ATOM 309 CD GLN A 59 -9.927 6.773 -23.455 1.00 14.89 C ATOM 310 OE1 GLN A 59 -9.259 7.752 -23.795 1.00 17.28 O ATOM 311 NE2 GLN A 59 -11.263 6.762 -23.505 1.00 15.78 N ATOM 312 HE22 GLN A 59 -11.788 5.914 -23.208 1.00 0.00 H ATOM 313 HE21 GLN A 59 -11.778 7.601 -23.840 1.00 0.00 H ATOM 314 H GLN A 59 -8.092 5.674 -20.109 1.00 0.00 H ATOM 315 N TYR A 60 -10.882 4.582 -18.705 1.00 8.31 N ATOM 316 CA TYR A 60 -11.816 4.054 -17.706 1.00 8.27 C ATOM 317 C TYR A 60 -12.414 5.174 -16.858 1.00 7.93 C ATOM 318 O TYR A 60 -13.634 5.271 -16.687 1.00 8.93 O ATOM 319 CB TYR A 60 -11.093 3.044 -16.840 1.00 8.50 C ATOM 320 CG TYR A 60 -11.956 2.374 -15.805 1.00 8.88 C ATOM 321 CD1 TYR A 60 -12.735 1.258 -16.131 1.00 9.04 C ATOM 322 CD2 TYR A 60 -11.978 2.823 -14.478 1.00 8.69 C ATOM 323 CE1 TYR A 60 -13.502 0.615 -15.188 1.00 9.64 C ATOM 324 CE2 TYR A 60 -12.748 2.171 -13.511 1.00 9.29 C ATOM 325 CZ TYR A 60 -13.501 1.065 -13.876 1.00 9.71 C ATOM 326 OH TYR A 60 -14.274 0.403 -12.946 1.00 11.30 O ATOM 327 HH TYR A 60 -14.943 1.028 -12.570 1.00 0.00 H ATOM 328 H TYR A 60 -9.898 4.247 -18.704 1.00 0.00 H ATOM 329 N ILE A 61 -11.547 6.014 -16.308 1.00 7.37 N ATOM 330 CA ILE A 61 -12.014 7.112 -15.467 1.00 7.79 C ATOM 331 C ILE A 61 -12.954 8.047 -16.233 1.00 8.40 C ATOM 332 O ILE A 61 -13.971 8.511 -15.701 1.00 9.10 O ATOM 333 CB ILE A 61 -10.802 7.862 -14.860 1.00 7.50 C ATOM 334 CG1 ILE A 61 -10.116 6.963 -13.823 1.00 7.85 C ATOM 335 CG2 ILE A 61 -11.222 9.209 -14.262 1.00 8.09 C ATOM 336 CD1 ILE A 61 -8.715 7.392 -13.450 1.00 9.40 C ATOM 337 H ILE A 61 -10.528 5.890 -16.477 1.00 0.00 H ATOM 338 N MET A 62 -12.605 8.340 -17.486 1.00 9.53 N ATOM 339 CA MET A 62 -13.417 9.211 -18.329 1.00 10.31 C ATOM 340 C MET A 62 -14.780 8.598 -18.615 1.00 11.00 C ATOM 341 O MET A 62 -15.812 9.218 -18.349 1.00 12.00 O ATOM 342 CB MET A 62 -12.685 9.525 -19.645 1.00 10.46 C ATOM 343 CG MET A 62 -13.466 10.454 -20.578 1.00 11.63 C ATOM 344 SD MET A 62 -13.648 12.123 -19.885 1.00 13.19 S ATOM 345 CE MET A 62 -14.760 12.858 -21.084 1.00 16.09 C ATOM 346 H MET A 62 -11.729 7.936 -17.874 1.00 0.00 H ATOM 347 N VAL A 63 -14.788 7.385 -19.161 1.00 11.42 N ATOM 348 CA VAL A 63 -16.038 6.818 -19.646 1.00 12.30 C ATOM 349 C VAL A 63 -16.961 6.424 -18.490 1.00 12.45 C ATOM 350 O VAL A 63 -18.173 6.492 -18.635 1.00 13.73 O ATOM 351 CB VAL A 63 -15.809 5.672 -20.663 1.00 12.87 C ATOM 352 CG1 VAL A 63 -15.403 4.358 -19.960 1.00 11.39 C ATOM 353 CG2 VAL A 63 -17.036 5.492 -21.553 1.00 13.38 C ATOM 354 H VAL A 63 -13.904 6.843 -19.241 1.00 0.00 H ATOM 355 N LYS A 64 -16.395 6.034 -17.345 1.00 11.54 N ATOM 356 CA LYS A 64 -17.203 5.729 -16.163 1.00 11.79 C ATOM 357 C LYS A 64 -17.513 6.945 -15.310 1.00 11.39 C ATOM 358 O LYS A 64 -18.177 6.841 -14.267 1.00 11.49 O ATOM 359 CB LYS A 64 -16.569 4.624 -15.322 1.00 12.15 C ATOM 360 CG LYS A 64 -16.615 3.285 -16.017 1.00 14.20 C ATOM 361 CD LYS A 64 -16.406 2.140 -15.060 1.00 15.79 C ATOM 362 CE LYS A 64 -17.587 1.886 -14.140 1.00 16.05 C ATOM 363 NZ LYS A 64 -17.306 0.678 -13.310 1.00 15.96 N ATOM 364 HZ1 LYS A 64 -17.163 -0.143 -13.932 1.00 0.00 H ATOM 365 HZ2 LYS A 64 -16.448 0.839 -12.744 1.00 0.00 H ATOM 366 HZ3 LYS A 64 -18.112 0.499 -12.677 1.00 0.00 H ATOM 367 H LYS A 64 -15.360 5.945 -17.292 1.00 0.00 H ATOM 368 N GLN A 65 -17.038 8.108 -15.757 1.00 10.68 N ATOM 369 CA GLN A 65 -17.339 9.395 -15.144 1.00 10.75 C ATOM 370 C GLN A 65 -16.973 9.423 -13.661 1.00 9.27 C ATOM 371 O GLN A 65 -17.698 9.965 -12.816 1.00 10.12 O ATOM 372 CB GLN A 65 -18.797 9.768 -15.416 1.00 11.58 C ATOM 373 CG GLN A 65 -19.079 9.875 -16.901 1.00 12.87 C ATOM 374 CD GLN A 65 -18.592 11.185 -17.466 1.00 13.78 C ATOM 375 OE1 GLN A 65 -17.733 11.232 -18.354 1.00 13.37 O ATOM 376 NE2 GLN A 65 -19.122 12.274 -16.931 1.00 15.66 N ATOM 377 HE22 GLN A 65 -19.842 12.189 -16.186 1.00 0.00 H ATOM 378 HE21 GLN A 65 -18.818 13.214 -17.256 1.00 0.00 H ATOM 379 H GLN A 65 -16.417 8.096 -16.591 1.00 0.00 H ATOM 380 N LEU A 66 -15.787 8.875 -13.361 1.00 8.76 N ATOM 381 CA LEU A 66 -15.329 8.829 -11.973 1.00 8.57 C ATOM 382 C LEU A 66 -14.722 10.136 -11.502 1.00 8.07 C ATOM 383 O LEU A 66 -14.636 10.377 -10.306 1.00 9.13 O ATOM 384 CB LEU A 66 -14.348 7.675 -11.749 1.00 9.12 C ATOM 385 CG LEU A 66 -14.858 6.278 -12.119 1.00 10.04 C ATOM 386 CD1 LEU A 66 -13.830 5.234 -11.760 1.00 12.94 C ATOM 387 CD2 LEU A 66 -16.171 5.973 -11.443 1.00 12.38 C ATOM 388 H LEU A 66 -15.191 8.482 -14.117 1.00 0.00 H ATOM 389 N TYR A 67 -14.274 10.971 -12.439 1.00 7.80 N ATOM 390 CA TYR A 67 -13.715 12.264 -12.068 1.00 7.74 C ATOM 391 C TYR A 67 -14.796 13.139 -11.428 1.00 8.22 C ATOM 392 O TYR A 67 -15.985 13.036 -11.772 1.00 8.82 O ATOM 393 CB TYR A 67 -13.066 12.939 -13.289 1.00 8.51 C ATOM 394 CG TYR A 67 -14.014 13.170 -14.439 1.00 8.27 C ATOM 395 CD1 TYR A 67 -14.714 14.374 -14.548 1.00 9.14 C ATOM 396 CD2 TYR A 67 -14.237 12.185 -15.405 1.00 9.75 C ATOM 397 CE1 TYR A 67 -15.601 14.600 -15.593 1.00 11.22 C ATOM 398 CE2 TYR A 67 -15.124 12.397 -16.449 1.00 10.46 C ATOM 399 CZ TYR A 67 -15.805 13.598 -16.531 1.00 11.00 C ATOM 400 OH TYR A 67 -16.668 13.805 -17.574 1.00 15.09 O ATOM 401 HH TYR A 67 -17.074 14.704 -17.492 1.00 0.00 H ATOM 402 H TYR A 67 -14.324 10.698 -13.441 1.00 0.00 H ATOM 403 N ASP A 68 -14.374 14.009 -10.521 1.00 8.45 N ATOM 404 CA ASP A 68 -15.271 14.964 -9.908 1.00 9.28 C ATOM 405 C ASP A 68 -15.740 15.950 -10.963 1.00 9.04 C ATOM 406 O ASP A 68 -14.949 16.474 -11.744 1.00 9.63 O ATOM 407 CB ASP A 68 -14.548 15.669 -8.756 1.00 10.54 C ATOM 408 CG ASP A 68 -15.440 16.647 -8.015 1.00 11.99 C ATOM 409 OD1 ASP A 68 -15.778 17.713 -8.571 1.00 13.19 O ATOM 410 OD2 ASP A 68 -15.816 16.340 -6.862 1.00 16.68 O ATOM 411 H ASP A 68 -13.372 14.005 -10.243 1.00 0.00 H ATOM 412 N GLN A 69 -17.048 16.183 -11.032 1.00 10.38 N ATOM 413 CA GLN A 69 -17.608 16.953 -12.151 1.00 11.51 C ATOM 414 C GLN A 69 -17.206 18.428 -12.163 1.00 11.97 C ATOM 415 O GLN A 69 -17.078 19.029 -13.222 1.00 13.79 O ATOM 416 CB GLN A 69 -19.124 16.812 -12.155 1.00 11.58 C ATOM 417 CG GLN A 69 -19.575 15.386 -12.338 1.00 12.24 C ATOM 418 CD GLN A 69 -19.191 14.893 -13.688 1.00 13.43 C ATOM 419 OE1 GLN A 69 -19.697 15.387 -14.694 1.00 13.45 O ATOM 420 NE2 GLN A 69 -18.254 13.944 -13.734 1.00 16.53 N ATOM 421 HE22 GLN A 69 -17.859 13.560 -12.852 1.00 0.00 H ATOM 422 HE21 GLN A 69 -17.919 13.588 -14.652 1.00 0.00 H ATOM 423 H GLN A 69 -17.678 15.818 -10.289 1.00 0.00 H ATOM 424 N GLN A 70 -17.007 18.992 -10.984 1.00 12.46 N ATOM 425 CA GLN A 70 -16.625 20.399 -10.868 1.00 13.40 C ATOM 426 C GLN A 70 -15.129 20.640 -10.714 1.00 12.66 C ATOM 427 O GLN A 70 -14.642 21.709 -11.077 1.00 14.64 O ATOM 428 CB GLN A 70 -17.364 21.045 -9.706 1.00 14.62 C ATOM 429 CG GLN A 70 -18.876 21.014 -9.862 1.00 17.85 C ATOM 430 CD GLN A 70 -19.594 21.440 -8.606 1.00 21.13 C ATOM 431 OE1 GLN A 70 -20.111 22.558 -8.522 1.00 25.38 O ATOM 432 NE2 GLN A 70 -19.626 20.560 -7.615 1.00 20.28 N ATOM 433 HE22 GLN A 70 -19.176 19.629 -7.731 1.00 0.00 H ATOM 434 HE21 GLN A 70 -20.101 20.800 -6.721 1.00 0.00 H ATOM 435 H GLN A 70 -17.125 18.423 -10.121 1.00 0.00 H ATOM 436 N GLU A 71 -14.413 19.666 -10.161 1.00 11.33 N ATOM 437 CA GLU A 71 -12.976 19.769 -9.902 1.00 11.01 C ATOM 438 C GLU A 71 -12.295 18.529 -10.478 1.00 9.76 C ATOM 439 O GLU A 71 -12.066 17.557 -9.748 1.00 9.57 O ATOM 440 CB GLU A 71 -12.738 19.837 -8.387 1.00 12.37 C ATOM 441 CG GLU A 71 -13.447 20.979 -7.677 1.00 15.06 C ATOM 442 CD GLU A 71 -12.851 22.322 -8.030 1.00 18.93 C ATOM 443 OE1 GLU A 71 -11.613 22.395 -8.170 1.00 20.81 O ATOM 444 OE2 GLU A 71 -13.615 23.301 -8.160 1.00 21.74 O ATOM 445 H GLU A 71 -14.899 18.785 -9.899 1.00 0.00 H ATOM 446 N GLN A 72 -12.013 18.532 -11.774 1.00 8.99 N ATOM 447 CA GLN A 72 -11.663 17.314 -12.496 1.00 9.40 C ATOM 448 C GLN A 72 -10.335 16.696 -12.090 1.00 8.48 C ATOM 449 O GLN A 72 -10.041 15.572 -12.490 1.00 9.76 O ATOM 450 CB GLN A 72 -11.674 17.564 -14.001 1.00 10.24 C ATOM 451 CG GLN A 72 -13.050 17.896 -14.561 1.00 12.32 C ATOM 452 CD GLN A 72 -13.002 18.256 -16.027 1.00 14.93 C ATOM 453 OE1 GLN A 72 -11.938 18.541 -16.566 1.00 15.09 O ATOM 454 NE2 GLN A 72 -14.151 18.260 -16.675 1.00 17.67 N ATOM 455 HE22 GLN A 72 -15.030 18.011 -16.177 1.00 0.00 H ATOM 456 HE21 GLN A 72 -14.178 18.512 -17.684 1.00 0.00 H ATOM 457 H GLN A 72 -12.042 19.433 -12.293 1.00 0.00 H ATOM 458 N HIS A 73 -9.508 17.427 -11.331 1.00 8.40 N ATOM 459 CA HIS A 73 -8.272 16.828 -10.834 1.00 8.76 C ATOM 460 C HIS A 73 -8.552 15.686 -9.848 1.00 8.28 C ATOM 461 O HIS A 73 -7.685 14.834 -9.613 1.00 8.95 O ATOM 462 CB HIS A 73 -7.381 17.890 -10.167 1.00 10.43 C ATOM 463 CG HIS A 73 -7.842 18.307 -8.797 1.00 11.43 C ATOM 464 ND1 HIS A 73 -8.670 19.391 -8.556 1.00 15.87 N ATOM 465 CD2 HIS A 73 -7.601 17.742 -7.586 1.00 11.99 C ATOM 466 CE1 HIS A 73 -8.893 19.479 -7.256 1.00 14.00 C ATOM 467 NE2 HIS A 73 -8.257 18.493 -6.647 1.00 16.16 N ATOM 468 H HIS A 73 -9.744 18.413 -11.098 1.00 0.00 H ATOM 469 N MET A 74 -9.730 15.723 -9.223 1.00 8.63 N ATOM 470 CA MET A 74 -10.134 14.742 -8.216 1.00 8.93 C ATOM 471 C MET A 74 -10.891 13.601 -8.854 1.00 8.00 C ATOM 472 O MET A 74 -11.690 13.814 -9.775 1.00 8.62 O ATOM 473 CB MET A 74 -11.059 15.375 -7.171 1.00 10.53 C ATOM 474 CG MET A 74 -10.518 16.608 -6.498 1.00 13.51 C ATOM 475 SD MET A 74 -11.297 16.996 -4.934 1.00 21.29 S ATOM 476 CE MET A 74 -11.500 15.321 -4.357 1.00 15.79 C ATOM 477 H MET A 74 -10.394 16.487 -9.464 1.00 0.00 H ATOM 478 N VAL A 75 -10.673 12.399 -8.341 1.00 8.01 N ATOM 479 CA VAL A 75 -11.361 11.203 -8.814 1.00 8.44 C ATOM 480 C VAL A 75 -12.079 10.571 -7.624 1.00 8.69 C ATOM 481 O VAL A 75 -11.468 10.347 -6.572 1.00 10.22 O ATOM 482 CB VAL A 75 -10.378 10.218 -9.479 1.00 8.60 C ATOM 483 CG1 VAL A 75 -11.093 8.944 -9.889 1.00 10.38 C ATOM 484 CG2 VAL A 75 -9.698 10.882 -10.677 1.00 9.29 C ATOM 485 H VAL A 75 -9.983 12.304 -7.569 1.00 0.00 H ATOM 486 N TYR A 76 -13.372 10.307 -7.790 1.00 8.34 N ATOM 487 CA TYR A 76 -14.156 9.603 -6.794 1.00 8.81 C ATOM 488 C TYR A 76 -14.263 8.141 -7.209 1.00 8.91 C ATOM 489 O TYR A 76 -15.072 7.776 -8.066 1.00 10.45 O ATOM 490 CB TYR A 76 -15.536 10.226 -6.595 1.00 10.57 C ATOM 491 CG TYR A 76 -16.292 9.488 -5.508 1.00 13.48 C ATOM 492 CD1 TYR A 76 -16.006 9.692 -4.165 1.00 15.92 C ATOM 493 CD2 TYR A 76 -17.220 8.490 -5.829 1.00 13.93 C ATOM 494 CE1 TYR A 76 -16.684 8.957 -3.160 1.00 16.63 C ATOM 495 CE2 TYR A 76 -17.899 7.774 -4.857 1.00 15.80 C ATOM 496 CZ TYR A 76 -17.618 8.008 -3.536 1.00 16.26 C ATOM 497 OH TYR A 76 -18.307 7.282 -2.591 1.00 19.57 O ATOM 498 HH TYR A 76 -18.007 7.551 -1.687 1.00 0.00 H ATOM 499 H TYR A 76 -13.838 10.617 -8.667 1.00 0.00 H ATOM 500 N CYS A 77 -13.415 7.310 -6.609 1.00 9.64 N ATOM 501 CA CYS A 77 -13.355 5.897 -6.939 1.00 10.26 C ATOM 502 C CYS A 77 -14.111 5.016 -5.960 1.00 10.02 C ATOM 503 O CYS A 77 -14.218 3.809 -6.181 1.00 10.47 O ATOM 504 CB CYS A 77 -11.898 5.428 -7.088 1.00 11.09 C ATOM 505 SG CYS A 77 -10.813 5.917 -5.717 1.00 10.53 S ATOM 506 H CYS A 77 -12.774 7.684 -5.880 1.00 0.00 H ATOM 507 N GLY A 78 -14.675 5.604 -4.906 1.00 10.29 N ATOM 508 CA GLY A 78 -15.483 4.830 -3.975 1.00 11.82 C ATOM 509 C GLY A 78 -16.667 4.181 -4.668 1.00 12.79 C ATOM 510 O GLY A 78 -17.255 4.764 -5.564 1.00 13.89 O ATOM 511 H GLY A 78 -14.537 6.623 -4.747 1.00 0.00 H ATOM 512 N GLY A 79 -17.010 2.960 -4.274 1.00 13.47 N ATOM 513 CA GLY A 79 -18.129 2.257 -4.900 1.00 14.54 C ATOM 514 C GLY A 79 -17.877 1.892 -6.360 1.00 14.12 C ATOM 515 O GLY A 79 -18.823 1.788 -7.168 1.00 15.54 O ATOM 516 H GLY A 79 -16.476 2.498 -3.511 1.00 0.00 H ATOM 517 N ASP A 80 -16.592 1.721 -6.692 1.00 12.45 N ATOM 518 CA ASP A 80 -16.147 1.230 -7.989 1.00 11.86 C ATOM 519 C ASP A 80 -15.033 0.234 -7.744 1.00 11.69 C ATOM 520 O ASP A 80 -14.312 0.326 -6.740 1.00 11.89 O ATOM 521 CB ASP A 80 -15.611 2.391 -8.836 1.00 12.14 C ATOM 522 CG ASP A 80 -15.384 1.991 -10.274 1.00 11.50 C ATOM 523 OD1 ASP A 80 -16.349 2.045 -11.046 1.00 13.97 O ATOM 524 OD2 ASP A 80 -14.261 1.576 -10.627 1.00 11.65 O ATOM 525 H ASP A 80 -15.868 1.952 -5.982 1.00 0.00 H ATOM 526 N LEU A 81 -14.854 -0.701 -8.674 1.00 11.80 N ATOM 527 CA LEU A 81 -13.728 -1.616 -8.599 1.00 12.34 C ATOM 528 C LEU A 81 -12.397 -0.881 -8.433 1.00 10.79 C ATOM 529 O LEU A 81 -11.517 -1.355 -7.734 1.00 11.43 O ATOM 530 CB LEU A 81 -13.676 -2.535 -9.815 1.00 13.89 C ATOM 531 CG LEU A 81 -12.614 -3.649 -9.786 1.00 15.94 C ATOM 532 CD1 LEU A 81 -12.701 -4.523 -8.524 1.00 19.07 C ATOM 533 CD2 LEU A 81 -12.711 -4.517 -11.041 1.00 16.95 C ATOM 534 H LEU A 81 -15.527 -0.777 -9.463 1.00 0.00 H ATOM 535 N LEU A 82 -12.234 0.267 -9.076 1.00 10.50 N ATOM 536 CA LEU A 82 -10.980 1.013 -8.904 1.00 9.98 C ATOM 537 C LEU A 82 -10.746 1.397 -7.432 1.00 9.19 C ATOM 538 O LEU A 82 -9.619 1.283 -6.938 1.00 9.91 O ATOM 539 CB LEU A 82 -10.961 2.249 -9.801 1.00 10.87 C ATOM 540 CG LEU A 82 -9.712 3.130 -9.728 1.00 10.66 C ATOM 541 CD1 LEU A 82 -8.451 2.351 -10.110 1.00 12.29 C ATOM 542 CD2 LEU A 82 -9.899 4.375 -10.606 1.00 12.48 C ATOM 543 H LEU A 82 -12.985 0.635 -9.695 1.00 0.00 H ATOM 544 N GLY A 83 -11.788 1.858 -6.740 1.00 9.85 N ATOM 545 CA GLY A 83 -11.657 2.173 -5.320 1.00 10.03 C ATOM 546 C GLY A 83 -11.372 0.958 -4.459 1.00 10.35 C ATOM 547 O GLY A 83 -10.616 1.031 -3.497 1.00 10.75 O ATOM 548 H GLY A 83 -12.703 1.995 -7.216 1.00 0.00 H ATOM 549 N GLU A 84 -11.996 -0.168 -4.796 1.00 11.62 N ATOM 550 CA GLU A 84 -11.726 -1.410 -4.081 1.00 12.91 C ATOM 551 C GLU A 84 -10.253 -1.795 -4.249 1.00 12.06 C ATOM 552 O GLU A 84 -9.591 -2.200 -3.293 1.00 13.13 O ATOM 553 CB GLU A 84 -12.597 -2.549 -4.604 1.00 14.16 C ATOM 554 CG GLU A 84 -14.099 -2.397 -4.466 1.00 19.85 C ATOM 555 CD GLU A 84 -14.822 -3.562 -5.141 1.00 25.17 C ATOM 556 OE1 GLU A 84 -15.722 -3.318 -5.982 1.00 28.13 O ATOM 557 OE2 GLU A 84 -14.459 -4.727 -4.855 1.00 28.38 O ATOM 558 H GLU A 84 -12.683 -0.162 -5.577 1.00 0.00 H ATOM 559 N LEU A 85 -9.749 -1.668 -5.478 1.00 11.33 N ATOM 560 CA LEU A 85 -8.380 -1.988 -5.781 1.00 11.58 C ATOM 561 C LEU A 85 -7.374 -1.058 -5.093 1.00 11.03 C ATOM 562 O LEU A 85 -6.345 -1.509 -4.585 1.00 12.31 O ATOM 563 CB LEU A 85 -8.189 -2.001 -7.287 1.00 11.99 C ATOM 564 CG LEU A 85 -6.818 -2.474 -7.761 1.00 13.37 C ATOM 565 CD1 LEU A 85 -6.430 -3.857 -7.195 1.00 15.38 C ATOM 566 CD2 LEU A 85 -6.771 -2.480 -9.272 1.00 14.70 C ATOM 567 H LEU A 85 -10.367 -1.326 -6.242 1.00 0.00 H ATOM 568 N LEU A 86 -7.683 0.236 -5.064 1.00 10.17 N ATOM 569 CA LEU A 86 -6.819 1.208 -4.398 1.00 10.12 C ATOM 570 C LEU A 86 -6.951 1.236 -2.885 1.00 9.37 C ATOM 571 O LEU A 86 -6.061 1.743 -2.200 1.00 10.86 O ATOM 572 CB LEU A 86 -7.121 2.608 -4.894 1.00 9.58 C ATOM 573 CG LEU A 86 -6.800 2.896 -6.354 1.00 10.75 C ATOM 574 CD1 LEU A 86 -7.294 4.259 -6.739 1.00 12.56 C ATOM 575 CD2 LEU A 86 -5.309 2.741 -6.647 1.00 15.31 C ATOM 576 H LEU A 86 -8.557 0.562 -5.524 1.00 0.00 H ATOM 577 N GLY A 87 -8.066 0.731 -2.361 1.00 9.22 N ATOM 578 CA GLY A 87 -8.370 0.924 -0.955 1.00 9.50 C ATOM 579 C GLY A 87 -8.549 2.403 -0.622 1.00 8.94 C ATOM 580 O GLY A 87 -8.107 2.860 0.438 1.00 9.76 O ATOM 581 H GLY A 87 -8.723 0.195 -2.963 1.00 0.00 H ATOM 582 N ARG A 88 -9.180 3.151 -1.541 1.00 8.65 N ATOM 583 CA ARG A 88 -9.446 4.586 -1.390 1.00 8.45 C ATOM 584 C ARG A 88 -10.833 4.896 -1.881 1.00 8.34 C ATOM 585 O ARG A 88 -11.338 4.220 -2.775 1.00 9.23 O ATOM 586 CB ARG A 88 -8.455 5.422 -2.216 1.00 9.23 C ATOM 587 CG ARG A 88 -6.988 5.259 -1.827 1.00 10.06 C ATOM 588 CD ARG A 88 -6.664 5.750 -0.418 1.00 10.55 C ATOM 589 NE ARG A 88 -7.045 7.136 -0.182 1.00 10.48 N ATOM 590 CZ ARG A 88 -6.289 8.193 -0.464 1.00 10.43 C ATOM 591 NH1 ARG A 88 -5.086 8.048 -1.032 1.00 12.15 N ATOM 592 NH2 ARG A 88 -6.759 9.402 -0.193 1.00 10.67 N ATOM 593 HE ARG A 88 -7.979 7.312 0.239 1.00 0.00 H ATOM 594 HH12 ARG A 88 -4.508 8.885 -1.246 1.00 0.00 H ATOM 595 HH11 ARG A 88 -4.729 7.098 -1.260 1.00 0.00 H ATOM 596 HH22 ARG A 88 -6.185 10.243 -0.405 1.00 0.00 H ATOM 597 HH21 ARG A 88 -7.702 9.510 0.232 1.00 0.00 H ATOM 598 H ARG A 88 -9.500 2.685 -2.414 1.00 0.00 H ATOM 599 N GLN A 89 -11.433 5.955 -1.337 1.00 7.89 N ATOM 600 CA GLN A 89 -12.642 6.514 -1.933 1.00 8.09 C ATOM 601 C GLN A 89 -12.348 7.618 -2.927 1.00 7.94 C ATOM 602 O GLN A 89 -13.195 7.928 -3.769 1.00 7.96 O ATOM 603 CB GLN A 89 -13.591 7.060 -0.860 1.00 9.07 C ATOM 604 CG GLN A 89 -13.985 6.040 0.197 1.00 9.94 C ATOM 605 CD GLN A 89 -14.758 4.880 -0.400 1.00 10.73 C ATOM 606 OE1 GLN A 89 -14.225 3.776 -0.563 1.00 14.47 O ATOM 607 NE2 GLN A 89 -15.993 5.121 -0.744 1.00 10.78 N ATOM 608 HE22 GLN A 89 -16.401 6.065 -0.589 1.00 0.00 H ATOM 609 HE21 GLN A 89 -16.569 4.369 -1.174 1.00 0.00 H ATOM 610 H GLN A 89 -11.035 6.387 -0.479 1.00 0.00 H ATOM 611 N SER A 90 -11.188 8.259 -2.796 1.00 8.29 N ATOM 612 CA SER A 90 -10.831 9.355 -3.683 1.00 8.76 C ATOM 613 C SER A 90 -9.327 9.466 -3.789 1.00 8.09 C ATOM 614 O SER A 90 -8.587 8.972 -2.928 1.00 8.84 O ATOM 615 CB SER A 90 -11.404 10.675 -3.168 1.00 10.41 C ATOM 616 OG SER A 90 -10.876 11.018 -1.904 1.00 13.11 O ATOM 617 HG SER A 90 -11.270 11.876 -1.605 1.00 0.00 H ATOM 618 H SER A 90 -10.526 7.971 -2.047 1.00 0.00 H ATOM 619 N PHE A 91 -8.878 10.125 -4.855 1.00 8.43 N ATOM 620 CA PHE A 91 -7.493 10.545 -4.995 1.00 8.59 C ATOM 621 C PHE A 91 -7.497 11.736 -5.943 1.00 8.24 C ATOM 622 O PHE A 91 -8.527 12.082 -6.540 1.00 8.87 O ATOM 623 CB PHE A 91 -6.574 9.416 -5.488 1.00 9.30 C ATOM 624 CG PHE A 91 -6.885 8.944 -6.866 1.00 9.39 C ATOM 625 CD1 PHE A 91 -6.301 9.556 -7.983 1.00 10.17 C ATOM 626 CD2 PHE A 91 -7.782 7.908 -7.071 1.00 10.40 C ATOM 627 CE1 PHE A 91 -6.604 9.134 -9.262 1.00 11.20 C ATOM 628 CE2 PHE A 91 -8.076 7.475 -8.359 1.00 10.86 C ATOM 629 CZ PHE A 91 -7.486 8.099 -9.456 1.00 11.65 C ATOM 630 H PHE A 91 -9.546 10.349 -5.620 1.00 0.00 H ATOM 631 N SER A 92 -6.342 12.372 -6.093 1.00 8.96 N ATOM 632 CA SER A 92 -6.199 13.513 -6.987 1.00 8.60 C ATOM 633 C SER A 92 -4.919 13.398 -7.797 1.00 7.36 C ATOM 634 O SER A 92 -3.888 12.908 -7.289 1.00 7.74 O ATOM 635 CB SER A 92 -6.150 14.789 -6.150 1.00 10.28 C ATOM 636 OG SER A 92 -5.713 15.894 -6.904 1.00 10.55 O ATOM 637 HG SER A 92 -5.695 16.699 -6.328 1.00 0.00 H ATOM 638 H SER A 92 -5.513 12.046 -5.556 1.00 0.00 H ATOM 639 N VAL A 93 -4.952 13.900 -9.026 1.00 6.91 N ATOM 640 CA VAL A 93 -3.731 14.014 -9.812 1.00 7.03 C ATOM 641 C VAL A 93 -2.787 15.109 -9.317 1.00 6.65 C ATOM 642 O VAL A 93 -1.673 15.220 -9.820 1.00 7.46 O ATOM 643 CB VAL A 93 -3.986 14.102 -11.327 1.00 7.06 C ATOM 644 CG1 VAL A 93 -4.599 12.804 -11.828 1.00 8.79 C ATOM 645 CG2 VAL A 93 -4.860 15.282 -11.662 1.00 8.06 C ATOM 646 H VAL A 93 -5.857 14.214 -9.431 1.00 0.00 H ATOM 647 N LYS A 94 -3.187 15.864 -8.295 1.00 7.54 N ATOM 648 CA LYS A 94 -2.211 16.663 -7.554 1.00 8.28 C ATOM 649 C LYS A 94 -1.104 15.768 -6.991 1.00 7.61 C ATOM 650 O LYS A 94 0.031 16.219 -6.803 1.00 8.75 O ATOM 651 CB LYS A 94 -2.875 17.434 -6.403 1.00 9.93 C ATOM 652 CG LYS A 94 -3.785 18.566 -6.821 1.00 12.37 C ATOM 653 CD LYS A 94 -4.559 19.166 -5.638 1.00 13.71 C ATOM 654 CE LYS A 94 -5.471 20.310 -6.095 1.00 15.35 C ATOM 655 NZ LYS A 94 -6.177 20.973 -4.966 1.00 17.75 N ATOM 656 HZ1 LYS A 94 -6.767 20.275 -4.470 1.00 0.00 H ATOM 657 HZ2 LYS A 94 -5.478 21.369 -4.306 1.00 0.00 H ATOM 658 HZ3 LYS A 94 -6.778 21.737 -5.335 1.00 0.00 H ATOM 659 H LYS A 94 -4.191 15.885 -8.024 1.00 0.00 H ATOM 660 N ASP A 95 -1.443 14.524 -6.671 1.00 7.38 N ATOM 661 CA ASP A 95 -0.450 13.544 -6.252 1.00 8.20 C ATOM 662 C ASP A 95 -0.964 12.149 -6.568 1.00 7.77 C ATOM 663 O ASP A 95 -1.639 11.529 -5.758 1.00 8.32 O ATOM 664 CB ASP A 95 -0.112 13.649 -4.780 1.00 9.06 C ATOM 665 CG ASP A 95 1.009 12.696 -4.398 1.00 9.99 C ATOM 666 OD1 ASP A 95 1.398 11.849 -5.231 1.00 10.53 O ATOM 667 OD2 ASP A 95 1.492 12.783 -3.258 1.00 13.53 O ATOM 668 H ASP A 95 -2.443 14.243 -6.721 1.00 0.00 H ATOM 669 N PRO A 96 -0.643 11.639 -7.762 1.00 8.34 N ATOM 670 CA PRO A 96 -1.210 10.350 -8.179 1.00 8.89 C ATOM 671 C PRO A 96 -0.471 9.128 -7.630 1.00 8.96 C ATOM 672 O PRO A 96 -0.626 8.026 -8.147 1.00 9.31 O ATOM 673 CB PRO A 96 -1.085 10.412 -9.700 1.00 10.32 C ATOM 674 CG PRO A 96 0.185 11.216 -9.913 1.00 9.96 C ATOM 675 CD PRO A 96 0.154 12.270 -8.839 1.00 9.32 C ATOM 676 N SER A 97 0.291 9.317 -6.559 1.00 9.13 N ATOM 677 CA SER A 97 0.986 8.208 -5.902 1.00 10.15 C ATOM 678 C SER A 97 0.139 6.946 -5.625 1.00 10.07 C ATOM 679 O SER A 97 0.668 5.851 -5.734 1.00 10.36 O ATOM 680 CB SER A 97 1.698 8.696 -4.624 1.00 11.26 C ATOM 681 OG SER A 97 2.787 9.553 -4.931 1.00 13.67 O ATOM 682 HG SER A 97 2.454 10.343 -5.426 1.00 0.00 H ATOM 683 H SER A 97 0.397 10.278 -6.177 1.00 0.00 H ATOM 684 N PRO A 98 -1.167 7.070 -5.279 1.00 10.03 N ATOM 685 CA PRO A 98 -1.933 5.831 -5.095 1.00 10.73 C ATOM 686 C PRO A 98 -1.978 4.949 -6.353 1.00 10.08 C ATOM 687 O PRO A 98 -1.946 3.718 -6.262 1.00 10.55 O ATOM 688 CB PRO A 98 -3.323 6.330 -4.689 1.00 11.38 C ATOM 689 CG PRO A 98 -3.045 7.676 -4.067 1.00 11.62 C ATOM 690 CD PRO A 98 -1.945 8.255 -4.878 1.00 10.56 C ATOM 691 N LEU A 99 -2.045 5.564 -7.533 1.00 9.12 N ATOM 692 CA LEU A 99 -2.025 4.797 -8.778 1.00 9.30 C ATOM 693 C LEU A 99 -0.669 4.143 -9.011 1.00 9.26 C ATOM 694 O LEU A 99 -0.605 3.027 -9.512 1.00 9.91 O ATOM 695 CB LEU A 99 -2.411 5.677 -9.966 1.00 9.27 C ATOM 696 CG LEU A 99 -3.836 6.230 -9.966 1.00 9.96 C ATOM 697 CD1 LEU A 99 -4.021 7.212 -11.096 1.00 10.40 C ATOM 698 CD2 LEU A 99 -4.884 5.113 -10.038 1.00 13.36 C ATOM 699 H LEU A 99 -2.112 6.601 -7.569 1.00 0.00 H ATOM 700 N TYR A 100 0.407 4.839 -8.662 1.00 9.16 N ATOM 701 CA TYR A 100 1.741 4.251 -8.761 1.00 10.24 C ATOM 702 C TYR A 100 1.848 3.003 -7.886 1.00 10.95 C ATOM 703 O TYR A 100 2.321 1.947 -8.345 1.00 11.61 O ATOM 704 CB TYR A 100 2.782 5.283 -8.357 1.00 10.63 C ATOM 705 CG TYR A 100 4.194 4.768 -8.307 1.00 11.08 C ATOM 706 CD1 TYR A 100 4.854 4.363 -9.464 1.00 12.85 C ATOM 707 CD2 TYR A 100 4.881 4.701 -7.099 1.00 12.87 C ATOM 708 CE1 TYR A 100 6.162 3.896 -9.422 1.00 14.41 C ATOM 709 CE2 TYR A 100 6.179 4.228 -7.049 1.00 14.95 C ATOM 710 CZ TYR A 100 6.811 3.844 -8.208 1.00 14.67 C ATOM 711 OH TYR A 100 8.107 3.384 -8.130 1.00 18.16 O ATOM 712 HH TYR A 100 8.427 3.147 -9.036 1.00 0.00 H ATOM 713 H TYR A 100 0.299 5.813 -8.314 1.00 0.00 H ATOM 714 N ASP A 101 1.384 3.100 -6.639 1.00 11.39 N ATOM 715 CA ASP A 101 1.426 1.941 -5.744 1.00 13.05 C ATOM 716 C ASP A 101 0.597 0.790 -6.277 1.00 12.56 C ATOM 717 O ASP A 101 1.015 -0.367 -6.216 1.00 13.01 O ATOM 718 CB ASP A 101 0.946 2.308 -4.343 1.00 15.14 C ATOM 719 CG ASP A 101 2.039 2.893 -3.498 1.00 19.76 C ATOM 720 OD1 ASP A 101 3.197 2.929 -3.967 1.00 23.26 O ATOM 721 OD2 ASP A 101 1.732 3.302 -2.366 1.00 25.73 O ATOM 722 H ASP A 101 0.991 4.002 -6.301 1.00 0.00 H ATOM 723 N MET A 102 -0.578 1.104 -6.809 1.00 11.63 N ATOM 724 CA MET A 102 -1.439 0.086 -7.381 1.00 11.74 C ATOM 725 C MET A 102 -0.762 -0.615 -8.558 1.00 11.59 C ATOM 726 O MET A 102 -0.796 -1.848 -8.650 1.00 12.52 O ATOM 727 CB MET A 102 -2.779 0.704 -7.764 1.00 12.14 C ATOM 728 CG MET A 102 -3.781 -0.262 -8.388 1.00 13.32 C ATOM 729 SD MET A 102 -3.528 -0.592 -10.124 1.00 13.77 S ATOM 730 CE MET A 102 -4.071 0.964 -10.822 1.00 15.11 C ATOM 731 H MET A 102 -0.887 2.097 -6.816 1.00 0.00 H ATOM 732 N LEU A 103 -0.130 0.145 -9.444 1.00 11.40 N ATOM 733 CA LEU A 103 0.522 -0.459 -10.606 1.00 11.96 C ATOM 734 C LEU A 103 1.699 -1.343 -10.223 1.00 12.29 C ATOM 735 O LEU A 103 1.904 -2.395 -10.828 1.00 13.00 O ATOM 736 CB LEU A 103 0.963 0.603 -11.597 1.00 12.13 C ATOM 737 CG LEU A 103 -0.167 1.307 -12.353 1.00 13.20 C ATOM 738 CD1 LEU A 103 0.414 2.282 -13.352 1.00 17.42 C ATOM 739 CD2 LEU A 103 -1.075 0.337 -13.076 1.00 13.26 C ATOM 740 H LEU A 103 -0.098 1.176 -9.311 1.00 0.00 H ATOM 741 N ARG A 104 2.465 -0.947 -9.209 1.00 12.63 N ATOM 742 CA ARG A 104 3.555 -1.802 -8.716 1.00 14.43 C ATOM 743 C ARG A 104 3.036 -3.148 -8.225 1.00 14.69 C ATOM 744 O ARG A 104 3.701 -4.173 -8.390 1.00 16.25 O ATOM 745 CB ARG A 104 4.308 -1.118 -7.581 1.00 15.70 C ATOM 746 CG ARG A 104 5.097 0.090 -8.016 1.00 17.42 C ATOM 747 CD ARG A 104 6.150 0.465 -7.003 1.00 20.23 C ATOM 748 NE ARG A 104 5.589 1.073 -5.804 1.00 23.11 N ATOM 749 CZ ARG A 104 6.249 1.199 -4.654 1.00 24.06 C ATOM 750 NH1 ARG A 104 5.672 1.779 -3.610 1.00 26.02 N ATOM 751 NH2 ARG A 104 7.484 0.739 -4.548 1.00 24.61 N ATOM 752 HE ARG A 104 4.613 1.431 -5.849 1.00 0.00 H ATOM 753 HH12 ARG A 104 6.193 1.874 -2.715 1.00 0.00 H ATOM 754 HH11 ARG A 104 4.699 2.138 -3.687 1.00 0.00 H ATOM 755 HH22 ARG A 104 8.000 0.837 -3.650 1.00 0.00 H ATOM 756 HH21 ARG A 104 7.939 0.279 -5.362 1.00 0.00 H ATOM 757 H ARG A 104 2.291 -0.025 -8.761 1.00 0.00 H ATOM 758 N LYS A 105 1.883 -3.148 -7.575 1.00 14.67 N ATOM 759 CA LYS A 105 1.296 -4.357 -7.021 1.00 15.63 C ATOM 760 C LYS A 105 0.542 -5.181 -8.053 1.00 14.40 C ATOM 761 O LYS A 105 0.362 -6.374 -7.847 1.00 16.54 O ATOM 762 CB LYS A 105 0.364 -3.995 -5.873 1.00 16.37 C ATOM 763 CG LYS A 105 1.108 -3.556 -4.627 1.00 19.95 C ATOM 764 CD LYS A 105 0.155 -2.984 -3.607 1.00 25.04 C ATOM 765 CE LYS A 105 0.904 -2.405 -2.424 1.00 27.91 C ATOM 766 NZ LYS A 105 0.065 -1.401 -1.723 1.00 29.98 N ATOM 767 HZ1 LYS A 105 -0.177 -0.633 -2.381 1.00 0.00 H ATOM 768 HZ2 LYS A 105 -0.807 -1.856 -1.384 1.00 0.00 H ATOM 769 HZ3 LYS A 105 0.593 -1.014 -0.915 1.00 0.00 H ATOM 770 H LYS A 105 1.377 -2.247 -7.456 1.00 0.00 H ATOM 771 N ASN A 106 0.095 -4.559 -9.148 1.00 13.04 N ATOM 772 CA ASN A 106 -0.835 -5.225 -10.053 1.00 12.83 C ATOM 773 C ASN A 106 -0.333 -5.462 -11.458 1.00 12.80 C ATOM 774 O ASN A 106 -1.074 -5.982 -12.289 1.00 14.69 O ATOM 775 CB ASN A 106 -2.166 -4.478 -10.071 1.00 12.91 C ATOM 776 CG ASN A 106 -2.948 -4.714 -8.819 1.00 13.77 C ATOM 777 OD1 ASN A 106 -3.691 -5.687 -8.715 1.00 16.12 O ATOM 778 ND2 ASN A 106 -2.782 -3.824 -7.849 1.00 14.46 N ATOM 779 HD22 ASN A 106 -2.141 -3.017 -7.988 1.00 0.00 H ATOM 780 HD21 ASN A 106 -3.293 -3.933 -6.950 1.00 0.00 H ATOM 781 H ASN A 106 0.413 -3.591 -9.357 1.00 0.00 H ATOM 782 N LEU A 107 0.907 -5.086 -11.731 1.00 12.79 N ATOM 783 CA LEU A 107 1.521 -5.405 -13.018 1.00 13.31 C ATOM 784 C LEU A 107 2.626 -6.418 -12.847 1.00 13.77 C ATOM 785 O LEU A 107 3.527 -6.222 -12.024 1.00 15.38 O ATOM 786 CB LEU A 107 2.082 -4.154 -13.701 1.00 13.10 C ATOM 787 CG LEU A 107 1.082 -3.069 -14.114 1.00 12.76 C ATOM 788 CD1 LEU A 107 1.788 -1.865 -14.696 1.00 14.14 C ATOM 789 CD2 LEU A 107 0.068 -3.607 -15.101 1.00 13.16 C ATOM 790 H LEU A 107 1.451 -4.557 -11.020 1.00 0.00 H ATOM 791 N VAL A 108 2.554 -7.494 -13.622 1.00 14.12 N ATOM 792 CA VAL A 108 3.632 -8.481 -13.709 1.00 15.44 C ATOM 793 C VAL A 108 4.536 -8.106 -14.886 1.00 16.17 C ATOM 794 O VAL A 108 4.072 -7.990 -16.020 1.00 16.66 O ATOM 795 CB VAL A 108 3.057 -9.909 -13.883 1.00 15.64 C ATOM 796 CG1 VAL A 108 4.180 -10.943 -14.014 1.00 17.32 C ATOM 797 CG2 VAL A 108 2.127 -10.255 -12.721 1.00 16.72 C ATOM 798 H VAL A 108 1.696 -7.642 -14.191 1.00 0.00 H ATOM 799 N THR A 109 5.824 -7.909 -14.619 1.00 17.63 N ATOM 800 CA THR A 109 6.800 -7.585 -15.662 1.00 19.66 C ATOM 801 C THR A 109 7.040 -8.798 -16.565 1.00 20.17 C ATOM 802 O THR A 109 7.303 -9.898 -16.082 1.00 20.43 O ATOM 803 CB THR A 109 8.127 -7.099 -15.035 1.00 20.65 C ATOM 804 OG1 THR A 109 7.881 -5.924 -14.254 1.00 23.44 O ATOM 805 CG2 THR A 109 9.173 -6.789 -16.110 1.00 21.79 C ATOM 806 HG1 THR A 109 8.730 -5.612 -13.852 1.00 0.00 H ATOM 807 H THR A 109 6.150 -7.988 -13.634 1.00 0.00 H ATOM 808 N LEU A 110 6.941 -8.602 -17.874 1.00 20.74 N ATOM 809 CA LEU A 110 7.116 -9.702 -18.814 1.00 21.89 C ATOM 810 C LEU A 110 8.588 -9.880 -19.174 1.00 23.15 C ATOM 811 O LEU A 110 9.369 -8.915 -19.156 1.00 24.01 O ATOM 812 CB LEU A 110 6.237 -9.500 -20.053 1.00 21.82 C ATOM 813 CG LEU A 110 4.733 -9.439 -19.743 1.00 22.10 C ATOM 814 CD1 LEU A 110 3.928 -9.101 -20.992 1.00 22.79 C ATOM 815 CD2 LEU A 110 4.228 -10.735 -19.085 1.00 21.74 C ATOM 816 H LEU A 110 6.735 -7.648 -18.235 1.00 0.00 H ATOM 817 N ALA A 111 8.958 -11.129 -19.457 1.00 24.62 N ATOM 818 CA ALA A 111 10.301 -11.483 -19.899 1.00 26.11 C ATOM 819 C ALA A 111 10.492 -11.079 -21.356 1.00 26.92 C ATOM 820 O ALA A 111 11.550 -10.576 -21.734 1.00 28.30 O ATOM 821 CB ALA A 111 10.541 -12.981 -19.725 1.00 26.39 C ATOM 822 H ALA A 111 8.254 -11.888 -19.358 1.00 0.00 H TER 823 ALA A 111 HETATM 824 O HOH 1 5.562 1.783 -22.441 1.00 22.52 O HETATM 825 O HOH 2 1.098 14.627 -1.661 1.00 19.25 O HETATM 826 O HOH 3 -17.261 7.239 -0.109 1.00 20.09 O HETATM 827 O HOH 4 -8.822 0.426 -27.664 1.00 19.77 O HETATM 828 O HOH 5 3.465 11.176 -2.631 1.00 15.85 O HETATM 829 O HOH 6 -12.129 -2.191 -27.840 1.00 26.86 O HETATM 830 O HOH 7 6.991 -12.505 -16.233 1.00 20.55 O HETATM 831 O HOH 8 9.667 -2.888 -23.096 1.00 33.49 O HETATM 832 O HOH 9 -15.796 13.904 -5.842 1.00 19.47 O HETATM 833 O HOH 10 -4.386 -7.536 -6.959 1.00 25.66 O HETATM 834 O HOH 11 -17.079 5.697 -8.057 1.00 14.17 O HETATM 835 O HOH 12 -3.824 3.222 -2.154 1.00 19.61 O HETATM 836 O HOH 13 -11.853 -9.066 -17.634 1.00 30.82 O HETATM 837 O HOH 14 -12.578 -5.050 -23.791 1.00 20.07 O HETATM 838 O HOH 15 -13.225 2.070 -2.405 1.00 28.61 O HETATM 839 O HOH 16 -19.414 4.601 -13.377 1.00 17.03 O HETATM 840 O HOH 17 -20.709 20.107 -5.173 1.00 37.25 O HETATM 841 O HOH 18 8.856 -1.274 -5.741 1.00 31.92 O HETATM 842 O HOH 19 -3.292 -11.679 -16.152 1.00 20.08 O HETATM 843 O HOH 20 -18.429 15.980 -17.018 1.00 21.34 O HETATM 844 O HOH 21 1.090 17.335 -4.562 1.00 14.61 O HETATM 845 O HOH 22 -13.988 22.878 -13.457 1.00 24.23 O HETATM 846 O HOH 23 -3.292 -15.157 -17.370 1.00 24.09 O HETATM 847 O HOH 24 -12.538 11.890 0.092 1.00 17.30 O HETATM 848 O HOH 25 7.753 -11.290 -13.762 1.00 27.85 O HETATM 849 O HOH 26 -19.401 8.156 -20.437 1.00 26.54 O HETATM 850 O HOH 27 -10.964 1.722 -25.758 1.00 34.96 O HETATM 851 O HOH 28 -3.311 -7.700 -24.908 1.00 12.99 O HETATM 852 O HOH 29 -18.883 2.317 -9.965 1.00 24.44 O HETATM 853 O HOH 30 -9.032 3.946 -26.314 1.00 26.15 O HETATM 854 O HOH 31 -4.040 11.856 -4.351 1.00 12.88 O HETATM 855 O HOH 32 -14.366 -5.947 -17.405 1.00 22.18 O HETATM 856 O HOH 33 -9.942 -9.468 -24.264 1.00 26.27 O HETATM 857 O HOH 34 -16.850 18.056 -15.872 1.00 18.71 O HETATM 858 O HOH 35 -3.572 -1.683 -5.091 1.00 24.63 O HETATM 859 O HOH 36 9.276 2.639 -10.594 1.00 36.63 O HETATM 860 O HOH 37 -18.622 18.042 -8.422 1.00 17.60 O HETATM 861 O HOH 38 -17.442 -1.118 -19.856 1.00 26.03 O HETATM 862 O HOH 39 -7.681 19.139 -3.424 1.00 28.27 O HETATM 863 O HOH 40 -16.442 21.645 -14.203 1.00 23.16 O HETATM 864 O HOH 41 -15.776 18.741 -5.286 1.00 37.28 O HETATM 865 O HOH 42 -15.370 1.299 -22.747 1.00 33.57 O HETATM 866 O HOH 43 -16.708 -1.459 -15.142 1.00 28.83 O HETATM 867 O HOH 44 -18.616 4.493 -1.763 1.00 33.97 O HETATM 868 O HOH 45 -3.169 -11.526 -24.398 1.00 19.19 O HETATM 869 O HOH 46 -15.762 1.555 -2.064 1.00 29.36 O HETATM 870 O HOH 47 -18.974 15.340 -9.010 1.00 15.32 O HETATM 871 O HOH 48 6.847 -8.568 -11.962 1.00 27.86 O HETATM 872 O HOH 49 -17.014 -1.197 -10.581 1.00 19.35 O HETATM 873 O HOH 50 -4.325 21.801 -2.840 1.00 30.41 O HETATM 874 O HOH 51 -3.781 10.539 -1.927 1.00 19.22 O HETATM 875 O HOH 52 3.160 -0.663 -4.209 1.00 33.06 O HETATM 876 O HOH 53 -2.576 -14.028 -23.026 1.00 32.24 O HETATM 877 O HOH 54 -3.243 5.710 -1.055 1.00 15.69 O HETATM 878 O HOH 55 -20.714 5.367 -17.557 1.00 38.36 O HETATM 879 O HOH 56 -8.018 22.880 -6.355 1.00 41.59 O HETATM 880 O HOH 57 -5.602 -15.701 -19.744 1.00 32.32 O HETATM 881 O HOH 58 -14.534 -8.771 -27.695 1.00 43.98 O HETATM 882 O HOH 59 -3.357 -4.357 -4.885 1.00 28.77 O HETATM 883 O HOH 60 -4.718 -14.220 -16.017 1.00 26.86 O HETATM 884 O HOH 61 -14.856 15.818 -19.264 1.00 39.71 O HETATM 885 O HOH 62 -16.868 21.212 -6.040 1.00 42.44 O HETATM 886 O HOH 63 -8.474 13.225 -2.638 1.00 17.82 O HETATM 887 O HOH 64 -7.693 -11.446 -21.479 1.00 32.55 O HETATM 888 O HOH 65 -0.864 4.051 -25.188 1.00 23.42 O HETATM 889 O HOH 66 -13.618 12.568 -4.909 1.00 37.40 O HETATM 890 O HOH 67 -0.471 6.115 -1.966 1.00 35.34 O HETATM 891 O HOH 68 -15.545 -5.529 -19.816 1.00 33.65 O HETATM 892 O HOH 69 4.959 1.826 -25.644 1.00 30.47 O HETATM 893 O HOH 70 -5.366 -12.718 -14.062 1.00 32.20 O HETATM 894 O HOH 71 -15.129 -3.046 -13.782 1.00 42.45 O HETATM 895 O HOH 72 5.479 -2.365 -4.116 1.00 40.34 O HETATM 896 O HOH 73 4.958 -5.167 -5.001 1.00 58.02 O HETATM 897 O HOH 74 -15.445 -0.797 -24.811 1.00 37.94 O HETATM 898 O HOH 75 -5.465 -5.110 -3.330 1.00 42.26 O HETATM 899 O HOH 76 -6.322 10.423 -24.485 1.00 34.86 O HETATM 900 O HOH 77 -11.720 -8.526 -9.301 1.00 22.54 O HETATM 901 O HOH 78 2.667 9.424 -0.745 1.00 40.45 O HETATM 902 O HOH 79 -1.571 16.380 -2.600 1.00 36.64 O HETATM 903 O HOH 80 -17.952 0.553 -0.594 1.00 45.46 O HETATM 904 O HOH 81 1.142 3.629 -26.970 1.00 25.00 O HETATM 905 C1 HRQ A 82 -9.765 11.033 -17.282 1.00 -0.09 C HETATM 906 C2 HRQ A 82 -10.549 12.173 -17.150 1.00 -0.05 C HETATM 907 C3 HRQ A 82 -10.411 13.020 -16.044 1.00 0.11 C HETATM 908 C6 HRQ A 82 -9.451 12.687 -15.079 1.00 0.10 C HETATM 909 C5 HRQ A 82 -8.662 11.546 -15.204 1.00 -0.02 C HETATM 910 C4 HRQ A 82 -8.819 10.706 -16.313 1.00 -0.09 C HETATM 911 H20 HRQ A 82 -8.213 9.813 -16.416 1.00 0.04 H HETATM 912 C9 HRQ A 82 -7.830 11.551 -13.955 1.00 0.05 C HETATM 913 C12 HRQ A 82 -6.841 10.522 -13.599 1.00 0.18 C HETATM 914 N13 HRQ A 82 -6.197 9.901 -14.603 1.00 -0.29 N HETATM 915 C15 HRQ A 82 -5.266 8.807 -14.343 1.00 0.06 C HETATM 916 C16 HRQ A 82 -3.815 9.256 -14.106 1.00 0.05 C HETATM 917 N17 HRQ A 82 -3.089 8.049 -14.451 1.00 -0.31 N HETATM 918 C18 HRQ A 82 -3.860 7.102 -15.255 1.00 0.03 C HETATM 919 C19 HRQ A 82 -5.147 7.875 -15.562 1.00 -0.01 C HETATM 920 H11 HRQ A 82 -5.054 8.449 -16.495 1.00 0.03 H HETATM 921 H12 HRQ A 82 -6.011 7.198 -15.632 1.00 0.03 H HETATM 922 H9 HRQ A 82 -3.325 6.842 -16.180 1.00 0.05 H HETATM 923 H10 HRQ A 82 -4.076 6.185 -14.687 1.00 0.05 H HETATM 924 C20 HRQ A 82 -1.893 7.687 -13.880 1.00 0.03 C HETATM 925 C21 HRQ A 82 -1.366 6.388 -14.050 1.00 -0.05 C HETATM 926 C22 HRQ A 82 -0.186 5.999 -13.419 1.00 -0.07 C HETATM 927 C23 HRQ A 82 0.521 6.879 -12.606 1.00 -0.06 C HETATM 928 C24 HRQ A 82 0.012 8.160 -12.428 1.00 -0.07 C HETATM 929 C25 HRQ A 82 -1.168 8.568 -13.053 1.00 -0.05 C HETATM 930 H16 HRQ A 82 -1.532 9.578 -12.900 1.00 0.05 H HETATM 931 H15 HRQ A 82 0.543 8.857 -11.790 1.00 0.05 H HETATM 932 C26 HRQ A 82 1.825 6.429 -11.936 1.00 -0.04 C HETATM 933 H17 HRQ A 82 2.038 5.386 -12.212 1.00 0.04 H HETATM 934 H18 HRQ A 82 1.721 6.505 -10.844 1.00 0.04 H HETATM 935 H19 HRQ A 82 2.651 7.073 -12.272 1.00 0.04 H HETATM 936 H14 HRQ A 82 0.188 4.992 -13.564 1.00 0.05 H HETATM 937 H13 HRQ A 82 -1.889 5.680 -14.683 1.00 0.05 H HETATM 938 H7 HRQ A 82 -3.647 9.542 -13.057 1.00 0.05 H HETATM 939 H8 HRQ A 82 -3.540 10.094 -14.763 1.00 0.05 H HETATM 940 H6 HRQ A 82 -5.630 8.248 -13.468 1.00 0.06 H HETATM 941 H23 HRQ A 82 -6.359 10.194 -15.545 1.00 0.18 H HETATM 942 O14 HRQ A 82 -6.616 10.247 -12.417 1.00 -0.40 O HETATM 943 C8 HRQ A 82 -8.222 12.645 -13.250 1.00 0.05 C HETATM 944 N7 HRQ A 82 -9.169 13.327 -13.900 1.00 -0.27 N HETATM 945 H21 HRQ A 82 -9.615 14.194 -13.569 1.00 0.23 H HETATM 946 H22 HRQ A 82 -7.816 12.929 -12.280 1.00 0.11 H HETATM 947 O10 HRQ A 82 -11.138 14.181 -15.844 1.00 -0.32 O HETATM 948 C11 HRQ A 82 -12.041 14.604 -16.882 1.00 0.06 C HETATM 949 H3 HRQ A 82 -12.541 15.535 -16.576 1.00 0.06 H HETATM 950 H4 HRQ A 82 -12.796 13.822 -17.053 1.00 0.06 H HETATM 951 H5 HRQ A 82 -11.477 14.778 -17.810 1.00 0.06 H HETATM 952 H2 HRQ A 82 -11.279 12.410 -17.916 1.00 0.04 H HETATM 953 H1 HRQ A 82 -9.891 10.392 -18.147 1.00 0.05 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 905 906 910 953 CONECT 906 905 907 952 CONECT 907 906 908 947 CONECT 908 907 909 944 CONECT 909 908 910 912 CONECT 910 905 909 911 CONECT 911 910 CONECT 912 909 913 943 CONECT 913 912 914 942 CONECT 914 913 915 941 CONECT 915 914 916 919 940 CONECT 916 915 917 938 939 CONECT 917 916 918 924 CONECT 918 917 919 922 923 CONECT 919 915 918 920 921 CONECT 920 919 CONECT 921 919 CONECT 922 918 CONECT 923 918 CONECT 924 917 925 929 CONECT 925 924 926 937 CONECT 926 925 927 936 CONECT 927 926 928 932 CONECT 928 927 929 931 CONECT 929 924 928 930 CONECT 930 929 CONECT 931 928 CONECT 932 927 933 934 935 CONECT 933 932 CONECT 934 932 CONECT 935 932 CONECT 936 926 CONECT 937 925 CONECT 938 916 CONECT 939 916 CONECT 940 915 CONECT 941 914 CONECT 942 913 CONECT 943 912 944 946 CONECT 944 908 943 945 CONECT 945 944 CONECT 946 943 CONECT 947 907 948 CONECT 948 947 949 950 951 CONECT 949 948 CONECT 950 948 CONECT 951 948 CONECT 952 906 CONECT 953 905 MASTER 0 0 0 0 0 0 0 0 952 1 53 7 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: 6q9y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2n06
RCSB PDB
PDBbind
89aa, >2N06_1|Chain... at 100%
2n0u
RCSB PDB
PDBbind
89aa, >2N0U_1|Chain... at 100%
2n0w
RCSB PDB
PDBbind
89aa, >2N0W_1|Chain... at 100%
2n14
RCSB PDB
PDBbind
89aa, >2N14_1|Chain... at 100%
2vyr
RCSB PDB
PDBbind
101aa, >2VYR_1|Chains... *
3eqy
RCSB PDB
PDBbind
85aa, >3EQY_1|Chains... at 96%
3fe7
RCSB PDB
PDBbind
100aa, >3FE7_1|Chain... at 95%
3fea
RCSB PDB
PDBbind
100aa, >3FEA_1|Chain... at 95%
3lbj
RCSB PDB
PDBbind
90aa, >3LBJ_1|Chain... at 98%
3u15
RCSB PDB
PDBbind
100aa, >3U15_1|Chains... at 95%
4rxz
RCSB PDB
PDBbind
85aa, >4RXZ_1|Chains... at 100%
6q9w
RCSB PDB
PDBbind
100aa, >6Q9W_1|Chains... at 95%
6q9u
RCSB PDB
PDBbind
100aa, >6Q9U_1|Chain... at 95%
6q9s
RCSB PDB
PDBbind
100aa, >6Q9S_1|Chains... at 95%
6q9q
RCSB PDB
PDBbind
100aa, >6Q9Q_1|Chains... at 95%
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
6q9y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein Mdm4, Mdmx
Ligand Name
HRQ
EC.Number
E.C.2.3.2.27
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
IC50=3700nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemmedchem Vol. 14: pp. 1305-1314
Ligand Properties
Formula
C
2
1
H
2
3
N
3
O
2
Molecular Weight
349.426
Exact Mass
349.179
No. of atoms
49
No. of bonds
52
Polar Surface Area
57.36
LOGP Value
3.68 (
Computed with XLOGP3
)
3.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
COc1cccc2c1[nH]cc2C(=O)N[C@H]1CCN(C1)c1ccc(cc1)C
InChI String
InChI=1S/C21H23N3O2/c1-14-6-8-16(9-7-14)24-11-10-15(13-24)23-21(25)18-12-22-20-17(18)4-3-5-19(20)26-2/h3-9,12,15,22H,10-11,13H2,1-2H3,(H,23,25)/t15-/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):
O15151
Entrez Gene ID
NCBI Entrez Gene ID:
4194
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
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓