Browse entries in the PDBbind-CN Database
HEADER 6HOI_COMPLEX COMPND 6HOI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 118 SER MET LYS PHE GLN TYR LYS GLU ASP HIS PRO PHE GLU SEQRES 2 A 118 TYR ARG LYS LYS GLU GLY GLU LYS ILE ARG LYS LYS TYR SEQRES 3 A 118 PRO ASP ARG VAL PRO VAL ILE VAL GLU LYS ALA PRO LYS SEQRES 4 A 118 ALA ARG VAL PRO ASP LEU ASP LYS ARG LYS TYR LEU VAL SEQRES 5 A 118 PRO SER ASP LEU THR VAL GLY GLN PHE TYR PHE LEU ILE SEQRES 6 A 118 ARG LYS ARG ILE HIS LEU ARG PRO GLU ASP ALA LEU PHE SEQRES 7 A 118 PHE PHE VAL ASN ASN THR ILE PRO PRO THR SER ALA THR SEQRES 8 A 118 MET GLY GLN LEU TYR GLU ASP ASN HIS GLU GLU ASP TYR SEQRES 9 A 118 PHE LEU TYR VAL ALA TYR SER ASP GLU SER VAL TYR GLY SEQRES 10 A 118 LYS HET ALA A 207 128 ATOM 1 N SER A 0 10.314 -16.564 -24.443 1.00 43.45 N ATOM 2 CA SER A 0 9.774 -15.713 -25.496 1.00 40.63 C ATOM 3 C SER A 0 8.374 -15.192 -25.150 1.00 36.71 C ATOM 4 O SER A 0 7.506 -15.079 -26.015 1.00 39.66 O ATOM 5 CB SER A 0 9.743 -16.465 -26.829 1.00 30.24 C ATOM 6 HN3 SER A 0 9.687 -17.382 -24.304 1.00 0.00 H ATOM 7 HN2 SER A 0 10.378 -16.021 -23.558 1.00 0.00 H ATOM 8 HN1 SER A 0 11.261 -16.894 -24.718 1.00 0.00 H ATOM 9 N MET A 1 8.136 -14.864 -23.888 1.00 30.72 N ATOM 10 CA MET A 1 6.864 -14.287 -23.452 1.00 26.49 C ATOM 11 C MET A 1 6.836 -12.814 -23.832 1.00 25.93 C ATOM 12 O MET A 1 7.836 -12.113 -23.667 1.00 30.68 O ATOM 13 CB MET A 1 6.730 -14.342 -21.925 1.00 25.17 C ATOM 14 CG MET A 1 6.981 -15.679 -21.248 1.00 23.14 C ATOM 15 SD MET A 1 5.599 -16.828 -21.320 1.00 20.61 S ATOM 16 CE MET A 1 4.355 -16.052 -20.292 1.00 19.14 C ATOM 17 H MET A 1 8.882 -15.023 -23.181 1.00 0.00 H ATOM 18 N LYS A 2 5.694 -12.339 -24.287 1.00 25.48 N ATOM 19 CA LYS A 2 5.565 -10.946 -24.687 1.00 27.34 C ATOM 20 C LYS A 2 4.414 -10.354 -23.891 1.00 23.62 C ATOM 21 O LYS A 2 3.247 -10.594 -24.205 1.00 29.71 O ATOM 22 CB LYS A 2 5.331 -10.848 -26.191 1.00 31.80 C ATOM 23 H LYS A 2 4.871 -12.971 -24.361 1.00 0.00 H ATOM 24 N PHE A 3 4.736 -9.566 -22.873 1.00 20.01 N ATOM 25 CA PHE A 3 3.727 -8.915 -22.052 1.00 16.87 C ATOM 26 C PHE A 3 3.601 -7.459 -22.475 1.00 17.68 C ATOM 27 O PHE A 3 4.549 -6.675 -22.332 1.00 18.87 O ATOM 28 CB PHE A 3 4.058 -9.027 -20.572 1.00 16.45 C ATOM 29 CG PHE A 3 3.784 -10.410 -20.038 1.00 14.82 C ATOM 30 CD1 PHE A 3 2.501 -10.775 -19.628 1.00 15.18 C ATOM 31 CD2 PHE A 3 4.781 -11.376 -20.023 1.00 14.60 C ATOM 32 CE1 PHE A 3 2.233 -12.084 -19.156 1.00 14.52 C ATOM 33 CE2 PHE A 3 4.512 -12.657 -19.558 1.00 14.53 C ATOM 34 CZ PHE A 3 3.236 -13.011 -19.135 1.00 14.51 C ATOM 35 H PHE A 3 5.741 -9.409 -22.655 1.00 0.00 H ATOM 36 N GLN A 4 2.423 -7.100 -22.982 1.00 17.88 N ATOM 37 CA GLN A 4 2.218 -5.750 -23.493 1.00 19.64 C ATOM 38 C GLN A 4 2.322 -4.698 -22.392 1.00 18.43 C ATOM 39 O GLN A 4 2.689 -3.553 -22.674 1.00 17.84 O ATOM 40 CB GLN A 4 0.875 -5.668 -24.224 1.00 22.18 C ATOM 41 CG GLN A 4 0.668 -4.412 -25.014 1.00 27.47 C ATOM 42 CD GLN A 4 0.238 -3.209 -24.155 1.00 23.90 C ATOM 43 OE1 GLN A 4 -0.512 -3.330 -23.159 1.00 26.98 O ATOM 44 NE2 GLN A 4 0.737 -2.038 -24.528 1.00 27.42 N ATOM 45 HE22 GLN A 4 1.356 -1.978 -25.361 1.00 0.00 H ATOM 46 HE21 GLN A 4 0.509 -1.179 -23.987 1.00 0.00 H ATOM 47 H GLN A 4 1.644 -7.788 -23.014 1.00 0.00 H ATOM 48 N TYR A 5 2.047 -5.076 -21.139 1.00 17.16 N ATOM 49 CA TYR A 5 2.136 -4.132 -20.024 1.00 17.03 C ATOM 50 C TYR A 5 3.490 -3.441 -20.001 1.00 17.39 C ATOM 51 O TYR A 5 3.595 -2.253 -19.653 1.00 20.50 O ATOM 52 CB TYR A 5 1.904 -4.876 -18.704 1.00 16.31 C ATOM 53 CG TYR A 5 1.853 -3.935 -17.542 1.00 17.34 C ATOM 54 CD1 TYR A 5 0.704 -3.210 -17.277 1.00 22.42 C ATOM 55 CD2 TYR A 5 2.955 -3.762 -16.702 1.00 17.57 C ATOM 56 CE1 TYR A 5 0.641 -2.331 -16.209 1.00 24.74 C ATOM 57 CE2 TYR A 5 2.900 -2.879 -15.622 1.00 18.13 C ATOM 58 CZ TYR A 5 1.734 -2.177 -15.383 1.00 20.86 C ATOM 59 OH TYR A 5 1.663 -1.293 -14.340 1.00 23.98 O ATOM 60 HH TYR A 5 2.346 -0.586 -14.461 1.00 0.00 H ATOM 61 H TYR A 5 1.765 -6.060 -20.953 1.00 0.00 H ATOM 62 N LYS A 6 4.538 -4.155 -20.390 1.00 17.78 N ATOM 63 CA LYS A 6 5.867 -3.585 -20.315 1.00 21.11 C ATOM 64 C LYS A 6 6.043 -2.430 -21.288 1.00 23.77 C ATOM 65 O LYS A 6 6.974 -1.635 -21.125 1.00 25.73 O ATOM 66 CB LYS A 6 6.906 -4.671 -20.544 1.00 20.81 C ATOM 67 CG LYS A 6 6.876 -5.770 -19.506 1.00 20.83 C ATOM 68 CD LYS A 6 7.905 -6.841 -19.873 1.00 26.28 C ATOM 69 CE LYS A 6 7.743 -8.110 -19.082 1.00 28.70 C ATOM 70 NZ LYS A 6 8.680 -9.150 -19.608 1.00 33.07 N ATOM 71 HZ1 LYS A 6 8.464 -9.335 -20.608 1.00 0.00 H ATOM 72 HZ2 LYS A 6 9.659 -8.809 -19.520 1.00 0.00 H ATOM 73 HZ3 LYS A 6 8.566 -10.026 -19.060 1.00 0.00 H ATOM 74 H LYS A 6 4.405 -5.122 -20.748 1.00 0.00 H ATOM 75 N GLU A 7 5.155 -2.296 -22.278 1.00 22.24 N ATOM 76 CA GLU A 7 5.203 -1.185 -23.214 1.00 24.62 C ATOM 77 C GLU A 7 4.426 0.040 -22.742 1.00 25.91 C ATOM 78 O GLU A 7 4.636 1.134 -23.270 1.00 28.85 O ATOM 79 CB GLU A 7 4.673 -1.645 -24.576 1.00 30.38 C ATOM 80 CG GLU A 7 5.459 -2.804 -25.152 1.00 32.59 C ATOM 81 H GLU A 7 4.406 -3.010 -22.382 1.00 0.00 H ATOM 82 N ASP A 8 3.526 -0.106 -21.777 1.00 24.74 N ATOM 83 CA ASP A 8 2.733 1.025 -21.314 1.00 26.90 C ATOM 84 C ASP A 8 3.395 1.811 -20.203 1.00 32.51 C ATOM 85 O ASP A 8 3.029 2.966 -19.973 1.00 34.39 O ATOM 86 CB ASP A 8 1.381 0.545 -20.791 1.00 28.16 C ATOM 87 CG ASP A 8 0.405 0.255 -21.899 1.00 26.43 C ATOM 88 OD1 ASP A 8 0.522 0.882 -22.973 1.00 25.91 O ATOM 89 OD2 ASP A 8 -0.469 -0.614 -21.696 1.00 28.44 O ATOM 90 H ASP A 8 3.385 -1.042 -21.345 1.00 0.00 H ATOM 91 N HIS A 9 4.320 1.212 -19.477 1.00 35.32 N ATOM 92 CA HIS A 9 4.972 1.938 -18.416 1.00 41.96 C ATOM 93 C HIS A 9 6.471 1.734 -18.567 1.00 38.10 C ATOM 94 O HIS A 9 6.920 0.605 -18.824 1.00 35.18 O ATOM 95 CB HIS A 9 4.496 1.480 -17.036 1.00 47.87 C ATOM 96 CG HIS A 9 3.308 2.237 -16.531 1.00 52.37 C ATOM 97 ND1 HIS A 9 3.238 3.615 -16.556 1.00 54.47 N ATOM 98 CD2 HIS A 9 2.147 1.811 -15.982 1.00 53.80 C ATOM 99 CE1 HIS A 9 2.085 4.004 -16.042 1.00 56.11 C ATOM 100 NE2 HIS A 9 1.404 2.929 -15.686 1.00 56.71 N ATOM 101 H HIS A 9 4.577 0.223 -19.669 1.00 0.00 H ATOM 102 N PRO A 10 7.257 2.794 -18.463 1.00 38.42 N ATOM 103 CA PRO A 10 8.711 2.646 -18.507 1.00 37.64 C ATOM 104 C PRO A 10 9.187 1.732 -17.391 1.00 30.94 C ATOM 105 O PRO A 10 8.604 1.686 -16.302 1.00 25.92 O ATOM 106 CB PRO A 10 9.214 4.075 -18.283 1.00 40.23 C ATOM 107 CG PRO A 10 8.063 4.944 -18.672 1.00 41.70 C ATOM 108 CD PRO A 10 6.839 4.195 -18.299 1.00 41.63 C ATOM 109 N PHE A 11 10.278 1.014 -17.676 1.00 28.37 N ATOM 110 CA PHE A 11 10.880 0.115 -16.693 1.00 26.41 C ATOM 111 C PHE A 11 11.106 0.793 -15.343 1.00 21.43 C ATOM 112 O PHE A 11 10.791 0.224 -14.301 1.00 19.48 O ATOM 113 CB PHE A 11 12.197 -0.449 -17.223 1.00 28.78 C ATOM 114 CG PHE A 11 12.977 -1.216 -16.193 1.00 26.52 C ATOM 115 CD1 PHE A 11 12.592 -2.494 -15.818 1.00 25.52 C ATOM 116 CD2 PHE A 11 14.083 -0.648 -15.582 1.00 27.43 C ATOM 117 CE1 PHE A 11 13.302 -3.202 -14.846 1.00 25.71 C ATOM 118 CE2 PHE A 11 14.794 -1.346 -14.614 1.00 29.15 C ATOM 119 CZ PHE A 11 14.398 -2.629 -14.246 1.00 24.37 C ATOM 120 H PHE A 11 10.709 1.097 -18.619 1.00 0.00 H ATOM 121 N GLU A 12 11.678 1.997 -15.331 1.00 24.25 N ATOM 122 CA GLU A 12 11.981 2.645 -14.054 1.00 23.88 C ATOM 123 C GLU A 12 10.721 2.878 -13.236 1.00 21.47 C ATOM 124 O GLU A 12 10.736 2.760 -12.003 1.00 22.08 O ATOM 125 CB GLU A 12 12.689 3.976 -14.292 1.00 24.61 C ATOM 126 CG GLU A 12 14.051 3.807 -14.903 1.00 34.03 C ATOM 127 CD GLU A 12 14.003 3.672 -16.418 1.00 38.49 C ATOM 128 OE1 GLU A 12 15.088 3.638 -17.037 1.00 47.01 O ATOM 129 OE2 GLU A 12 12.886 3.603 -16.989 1.00 40.02 O ATOM 130 H GLU A 12 11.908 2.474 -16.226 1.00 0.00 H ATOM 131 N TYR A 13 9.630 3.228 -13.911 1.00 22.02 N ATOM 132 CA TYR A 13 8.342 3.417 -13.255 1.00 22.70 C ATOM 133 C TYR A 13 7.839 2.097 -12.678 1.00 19.68 C ATOM 134 O TYR A 13 7.389 2.034 -11.525 1.00 18.74 O ATOM 135 CB TYR A 13 7.361 3.959 -14.300 1.00 27.05 C ATOM 136 CG TYR A 13 5.963 4.261 -13.811 1.00 29.67 C ATOM 137 CD1 TYR A 13 5.067 3.242 -13.515 1.00 29.19 C ATOM 138 CD2 TYR A 13 5.515 5.578 -13.713 1.00 33.52 C ATOM 139 CE1 TYR A 13 3.789 3.519 -13.076 1.00 31.37 C ATOM 140 CE2 TYR A 13 4.232 5.866 -13.281 1.00 33.40 C ATOM 141 CZ TYR A 13 3.372 4.828 -12.969 1.00 34.64 C ATOM 142 OH TYR A 13 2.092 5.094 -12.540 1.00 35.17 O ATOM 143 HH TYR A 13 1.621 4.242 -12.363 1.00 0.00 H ATOM 144 H TYR A 13 9.698 3.371 -14.939 1.00 0.00 H ATOM 145 N ARG A 14 7.890 1.027 -13.477 1.00 18.98 N ATOM 146 CA ARG A 14 7.435 -0.284 -13.012 1.00 17.34 C ATOM 147 C ARG A 14 8.241 -0.740 -11.806 1.00 16.24 C ATOM 148 O ARG A 14 7.682 -1.213 -10.818 1.00 16.08 O ATOM 149 CB ARG A 14 7.561 -1.320 -14.132 1.00 20.17 C ATOM 150 CG ARG A 14 6.778 -1.014 -15.379 1.00 20.51 C ATOM 151 CD ARG A 14 6.609 -2.265 -16.231 1.00 20.10 C ATOM 152 NE ARG A 14 7.846 -3.007 -16.481 1.00 21.54 N ATOM 153 CZ ARG A 14 8.596 -2.869 -17.571 1.00 21.77 C ATOM 154 NH1 ARG A 14 8.264 -1.983 -18.503 1.00 23.61 N ATOM 155 NH2 ARG A 14 9.685 -3.610 -17.729 1.00 21.96 N ATOM 156 HE ARG A 14 8.159 -3.687 -15.759 1.00 0.00 H ATOM 157 HH12 ARG A 14 8.853 -1.878 -19.354 1.00 0.00 H ATOM 158 HH11 ARG A 14 7.415 -1.394 -18.382 1.00 0.00 H ATOM 159 HH22 ARG A 14 10.270 -3.500 -18.582 1.00 0.00 H ATOM 160 HH21 ARG A 14 9.954 -4.301 -17.000 1.00 0.00 H ATOM 161 H ARG A 14 8.259 1.127 -14.444 1.00 0.00 H ATOM 162 N LYS A 15 9.578 -0.615 -11.888 1.00 16.50 N ATOM 163 CA LYS A 15 10.430 -1.099 -10.806 1.00 16.61 C ATOM 164 C LYS A 15 10.153 -0.336 -9.521 1.00 15.63 C ATOM 165 O LYS A 15 10.080 -0.932 -8.441 1.00 16.44 O ATOM 166 CB LYS A 15 11.908 -0.973 -11.181 1.00 17.97 C ATOM 167 CG LYS A 15 12.837 -1.533 -10.114 1.00 20.77 C ATOM 168 CD LYS A 15 14.303 -1.436 -10.517 1.00 25.35 C ATOM 169 CE LYS A 15 15.198 -1.910 -9.387 1.00 30.15 C ATOM 170 NZ LYS A 15 16.622 -1.526 -9.587 1.00 35.74 N ATOM 171 HZ1 LYS A 15 16.972 -1.947 -10.471 1.00 0.00 H ATOM 172 HZ2 LYS A 15 16.696 -0.490 -9.641 1.00 0.00 H ATOM 173 HZ3 LYS A 15 17.189 -1.874 -8.788 1.00 0.00 H ATOM 174 H LYS A 15 10.006 -0.172 -12.726 1.00 0.00 H ATOM 175 N LYS A 16 10.013 0.993 -9.615 1.00 16.70 N ATOM 176 CA LYS A 16 9.699 1.767 -8.423 1.00 18.53 C ATOM 177 C LYS A 16 8.386 1.318 -7.817 1.00 17.08 C ATOM 178 O LYS A 16 8.275 1.166 -6.591 1.00 17.18 O ATOM 179 CB LYS A 16 9.636 3.248 -8.780 1.00 21.67 C ATOM 180 CG LYS A 16 10.992 3.893 -8.977 1.00 28.20 C ATOM 181 CD LYS A 16 10.864 5.389 -9.251 1.00 33.81 C ATOM 182 H LYS A 16 10.128 1.468 -10.533 1.00 0.00 H ATOM 183 N GLU A 17 7.375 1.104 -8.663 1.00 16.38 N ATOM 184 CA GLU A 17 6.084 0.677 -8.151 1.00 16.13 C ATOM 185 C GLU A 17 6.156 -0.714 -7.528 1.00 14.70 C ATOM 186 O GLU A 17 5.554 -0.940 -6.476 1.00 15.74 O ATOM 187 CB GLU A 17 5.037 0.716 -9.252 1.00 17.97 C ATOM 188 CG GLU A 17 3.664 0.464 -8.693 1.00 20.97 C ATOM 189 CD GLU A 17 2.545 0.728 -9.684 1.00 22.67 C ATOM 190 OE1 GLU A 17 2.429 -0.005 -10.674 1.00 23.94 O ATOM 191 OE2 GLU A 17 1.764 1.685 -9.473 1.00 28.35 O ATOM 192 H GLU A 17 7.511 1.243 -9.685 1.00 0.00 H ATOM 193 N GLY A 18 6.855 -1.653 -8.181 1.00 15.22 N ATOM 194 CA GLY A 18 6.957 -3.002 -7.657 1.00 14.57 C ATOM 195 C GLY A 18 7.686 -3.037 -6.328 1.00 13.94 C ATOM 196 O GLY A 18 7.258 -3.699 -5.388 1.00 14.74 O ATOM 197 H GLY A 18 7.330 -1.412 -9.074 1.00 0.00 H ATOM 198 N GLU A 19 8.806 -2.314 -6.227 1.00 14.65 N ATOM 199 CA GLU A 19 9.517 -2.272 -4.955 1.00 16.82 C ATOM 200 C GLU A 19 8.671 -1.624 -3.877 1.00 15.37 C ATOM 201 O GLU A 19 8.619 -2.104 -2.734 1.00 17.24 O ATOM 202 CB GLU A 19 10.806 -1.481 -5.118 1.00 20.32 C ATOM 203 CG GLU A 19 11.863 -2.195 -5.920 1.00 26.67 C ATOM 204 CD GLU A 19 13.066 -1.293 -6.252 1.00 36.15 C ATOM 205 OE1 GLU A 19 12.910 -0.052 -6.304 1.00 40.54 O ATOM 206 OE2 GLU A 19 14.169 -1.827 -6.483 1.00 42.76 O ATOM 207 H GLU A 19 9.166 -1.787 -7.048 1.00 0.00 H ATOM 208 N LYS A 20 8.000 -0.520 -4.217 1.00 15.48 N ATOM 209 CA LYS A 20 7.213 0.184 -3.211 1.00 15.85 C ATOM 210 C LYS A 20 6.038 -0.655 -2.725 1.00 14.88 C ATOM 211 O LYS A 20 5.742 -0.661 -1.528 1.00 15.36 O ATOM 212 CB LYS A 20 6.742 1.525 -3.762 1.00 20.02 C ATOM 213 H LYS A 20 8.039 -0.165 -5.194 1.00 0.00 H ATOM 214 N ILE A 21 5.349 -1.364 -3.629 1.00 13.60 N ATOM 215 CA ILE A 21 4.180 -2.114 -3.189 1.00 13.74 C ATOM 216 C ILE A 21 4.597 -3.326 -2.367 1.00 12.93 C ATOM 217 O ILE A 21 3.898 -3.731 -1.426 1.00 12.70 O ATOM 218 CB ILE A 21 3.265 -2.460 -4.385 1.00 13.93 C ATOM 219 CG1 ILE A 21 1.830 -2.709 -3.890 1.00 15.90 C ATOM 220 CG2 ILE A 21 3.799 -3.661 -5.165 1.00 14.45 C ATOM 221 CD1 ILE A 21 1.079 -1.449 -3.512 1.00 17.60 C ATOM 222 H ILE A 21 5.643 -1.379 -4.626 1.00 0.00 H ATOM 223 N ARG A 22 5.764 -3.903 -2.667 1.00 12.20 N ATOM 224 CA ARG A 22 6.274 -5.001 -1.849 1.00 12.03 C ATOM 225 C ARG A 22 6.656 -4.523 -0.454 1.00 12.16 C ATOM 226 O ARG A 22 6.506 -5.261 0.526 1.00 12.05 O ATOM 227 CB ARG A 22 7.473 -5.643 -2.535 1.00 12.82 C ATOM 228 CG ARG A 22 7.104 -6.643 -3.628 1.00 12.98 C ATOM 229 CD ARG A 22 6.523 -7.987 -3.146 1.00 12.38 C ATOM 230 NE ARG A 22 7.528 -8.682 -2.349 1.00 12.05 N ATOM 231 CZ ARG A 22 7.319 -9.384 -1.250 1.00 12.27 C ATOM 232 NH1 ARG A 22 6.098 -9.600 -0.790 1.00 13.55 N ATOM 233 NH2 ARG A 22 8.367 -9.863 -0.574 1.00 13.72 N ATOM 234 HE ARG A 22 8.512 -8.618 -2.681 1.00 0.00 H ATOM 235 HH12 ARG A 22 5.960 -10.156 0.078 1.00 0.00 H ATOM 236 HH11 ARG A 22 5.276 -9.214 -1.296 1.00 0.00 H ATOM 237 HH22 ARG A 22 8.217 -10.417 0.293 1.00 0.00 H ATOM 238 HH21 ARG A 22 9.333 -9.681 -0.915 1.00 0.00 H ATOM 239 H ARG A 22 6.312 -3.569 -3.486 1.00 0.00 H ATOM 240 N LYS A 23 7.226 -3.323 -0.352 1.00 13.23 N ATOM 241 CA LYS A 23 7.544 -2.787 0.963 1.00 14.25 C ATOM 242 C LYS A 23 6.288 -2.425 1.750 1.00 14.13 C ATOM 243 O LYS A 23 6.225 -2.645 2.962 1.00 15.68 O ATOM 244 CB LYS A 23 8.479 -1.600 0.796 1.00 16.74 C ATOM 245 CG LYS A 23 9.897 -2.072 0.487 1.00 20.50 C ATOM 246 CD LYS A 23 10.875 -0.933 0.330 1.00 25.48 C ATOM 247 CE LYS A 23 12.245 -1.430 -0.116 1.00 31.39 C ATOM 248 NZ LYS A 23 13.210 -0.311 -0.099 1.00 38.00 N ATOM 249 HZ1 LYS A 23 12.885 0.435 -0.747 1.00 0.00 H ATOM 250 HZ2 LYS A 23 13.278 0.072 0.866 1.00 0.00 H ATOM 251 HZ3 LYS A 23 14.143 -0.655 -0.404 1.00 0.00 H ATOM 252 H LYS A 23 7.442 -2.772 -1.207 1.00 0.00 H ATOM 253 N LYS A 24 5.267 -1.897 1.073 1.00 14.18 N ATOM 254 CA LYS A 24 4.060 -1.494 1.785 1.00 14.92 C ATOM 255 C LYS A 24 3.223 -2.696 2.211 1.00 13.56 C ATOM 256 O LYS A 24 2.562 -2.654 3.264 1.00 15.13 O ATOM 257 CB LYS A 24 3.246 -0.555 0.900 1.00 18.18 C ATOM 258 CG LYS A 24 2.022 0.022 1.588 1.00 22.11 C ATOM 259 CD LYS A 24 1.425 1.191 0.848 1.00 29.04 C ATOM 260 CE LYS A 24 0.560 2.034 1.792 1.00 34.89 C ATOM 261 H LYS A 24 5.332 -1.773 0.042 1.00 0.00 H ATOM 262 N TYR A 25 3.204 -3.758 1.398 1.00 13.22 N ATOM 263 CA TYR A 25 2.365 -4.940 1.645 1.00 12.78 C ATOM 264 C TYR A 25 3.227 -6.188 1.479 1.00 12.52 C ATOM 265 O TYR A 25 3.114 -6.896 0.467 1.00 12.38 O ATOM 266 CB TYR A 25 1.144 -4.960 0.714 1.00 14.61 C ATOM 267 CG TYR A 25 0.302 -3.711 0.796 1.00 14.93 C ATOM 268 CD1 TYR A 25 -0.495 -3.461 1.905 1.00 17.19 C ATOM 269 CD2 TYR A 25 0.371 -2.742 -0.198 1.00 18.12 C ATOM 270 CE1 TYR A 25 -1.271 -2.295 1.992 1.00 18.33 C ATOM 271 CE2 TYR A 25 -0.389 -1.576 -0.113 1.00 20.45 C ATOM 272 CZ TYR A 25 -1.194 -1.357 0.994 1.00 21.67 C ATOM 273 OH TYR A 25 -1.948 -0.207 1.088 1.00 26.81 O ATOM 274 HH TYR A 25 -2.458 -0.216 1.937 1.00 0.00 H ATOM 275 H TYR A 25 3.810 -3.747 0.553 1.00 0.00 H ATOM 276 N PRO A 26 4.102 -6.489 2.456 1.00 12.69 N ATOM 277 CA PRO A 26 5.052 -7.602 2.319 1.00 14.73 C ATOM 278 C PRO A 26 4.390 -8.964 2.294 1.00 12.35 C ATOM 279 O PRO A 26 5.060 -9.958 1.940 1.00 13.02 O ATOM 280 CB PRO A 26 5.945 -7.457 3.571 1.00 16.07 C ATOM 281 CG PRO A 26 5.785 -6.031 4.023 1.00 14.95 C ATOM 282 CD PRO A 26 4.402 -5.622 3.614 1.00 14.67 C ATOM 283 N ASP A 27 3.127 -9.045 2.700 1.00 12.37 N ATOM 284 CA ASP A 27 2.316 -10.257 2.645 1.00 12.45 C ATOM 285 C ASP A 27 1.569 -10.389 1.322 1.00 11.47 C ATOM 286 O ASP A 27 0.682 -11.250 1.200 1.00 12.66 O ATOM 287 CB ASP A 27 1.371 -10.315 3.859 1.00 13.43 C ATOM 288 CG ASP A 27 0.512 -9.067 4.030 1.00 14.78 C ATOM 289 OD1 ASP A 27 0.602 -8.134 3.206 1.00 14.94 O ATOM 290 OD2 ASP A 27 -0.284 -9.027 5.025 1.00 16.57 O ATOM 291 H ASP A 27 2.686 -8.185 3.084 1.00 0.00 H ATOM 292 N ARG A 28 1.871 -9.548 0.352 1.00 11.45 N ATOM 293 CA ARG A 28 1.245 -9.609 -0.964 1.00 11.27 C ATOM 294 C ARG A 28 2.331 -9.630 -2.026 1.00 11.05 C ATOM 295 O ARG A 28 3.460 -9.133 -1.809 1.00 11.87 O ATOM 296 CB ARG A 28 0.411 -8.351 -1.216 1.00 12.70 C ATOM 297 CG ARG A 28 -0.744 -8.104 -0.262 1.00 13.48 C ATOM 298 CD ARG A 28 -1.893 -9.069 -0.489 1.00 14.47 C ATOM 299 NE ARG A 28 -2.963 -8.859 0.502 1.00 13.76 N ATOM 300 CZ ARG A 28 -2.983 -9.443 1.701 1.00 13.55 C ATOM 301 NH1 ARG A 28 -2.023 -10.298 2.051 1.00 14.75 N ATOM 302 NH2 ARG A 28 -3.985 -9.200 2.541 1.00 15.92 N ATOM 303 HE ARG A 28 -3.745 -8.221 0.253 1.00 0.00 H ATOM 304 HH12 ARG A 28 -2.045 -10.750 2.988 1.00 0.00 H ATOM 305 HH11 ARG A 28 -1.252 -10.514 1.388 1.00 0.00 H ATOM 306 HH22 ARG A 28 -4.002 -9.655 3.476 1.00 0.00 H ATOM 307 HH21 ARG A 28 -4.752 -8.555 2.263 1.00 0.00 H ATOM 308 H ARG A 28 2.584 -8.812 0.533 1.00 0.00 H ATOM 309 N VAL A 29 1.969 -10.100 -3.219 1.00 10.53 N ATOM 310 CA VAL A 29 2.830 -9.989 -4.389 1.00 10.75 C ATOM 311 C VAL A 29 2.081 -9.320 -5.523 1.00 10.14 C ATOM 312 O VAL A 29 0.906 -9.624 -5.760 1.00 10.69 O ATOM 313 CB VAL A 29 3.471 -11.323 -4.814 1.00 11.22 C ATOM 314 CG1 VAL A 29 4.444 -11.803 -3.728 1.00 13.43 C ATOM 315 CG2 VAL A 29 2.420 -12.380 -5.127 1.00 12.10 C ATOM 316 H VAL A 29 1.042 -10.561 -3.318 1.00 0.00 H ATOM 317 N PRO A 30 2.760 -8.451 -6.269 1.00 10.58 N ATOM 318 CA PRO A 30 2.142 -7.816 -7.441 1.00 10.78 C ATOM 319 C PRO A 30 2.276 -8.668 -8.686 1.00 10.61 C ATOM 320 O PRO A 30 3.379 -9.173 -8.999 1.00 11.35 O ATOM 321 CB PRO A 30 2.920 -6.503 -7.562 1.00 12.17 C ATOM 322 CG PRO A 30 4.294 -6.867 -7.045 1.00 12.01 C ATOM 323 CD PRO A 30 4.075 -7.851 -5.939 1.00 10.89 C ATOM 324 N VAL A 31 1.169 -8.817 -9.409 1.00 10.63 N ATOM 325 CA VAL A 31 1.071 -9.751 -10.522 1.00 10.54 C ATOM 326 C VAL A 31 0.364 -9.058 -11.673 1.00 10.64 C ATOM 327 O VAL A 31 -0.742 -8.537 -11.503 1.00 12.48 O ATOM 328 CB VAL A 31 0.322 -11.044 -10.114 1.00 11.52 C ATOM 329 CG1 VAL A 31 0.366 -12.062 -11.238 1.00 12.37 C ATOM 330 CG2 VAL A 31 0.869 -11.627 -8.804 1.00 12.10 C ATOM 331 H VAL A 31 0.337 -8.241 -9.169 1.00 0.00 H ATOM 332 N ILE A 32 0.957 -9.136 -12.857 1.00 11.09 N ATOM 333 CA ILE A 32 0.339 -8.700 -14.099 1.00 11.49 C ATOM 334 C ILE A 32 -0.225 -9.943 -14.774 1.00 11.29 C ATOM 335 O ILE A 32 0.512 -10.920 -14.972 1.00 12.57 O ATOM 336 CB ILE A 32 1.365 -8.020 -15.023 1.00 12.64 C ATOM 337 CG1 ILE A 32 1.976 -6.785 -14.345 1.00 14.98 C ATOM 338 CG2 ILE A 32 0.758 -7.722 -16.406 1.00 15.21 C ATOM 339 CD1 ILE A 32 0.996 -5.732 -13.937 1.00 16.61 C ATOM 340 H ILE A 32 1.918 -9.531 -12.899 1.00 0.00 H ATOM 341 N VAL A 33 -1.519 -9.932 -15.092 1.00 11.31 N ATOM 342 CA VAL A 33 -2.179 -11.087 -15.675 1.00 11.73 C ATOM 343 C VAL A 33 -2.733 -10.647 -17.016 1.00 11.67 C ATOM 344 O VAL A 33 -3.596 -9.755 -17.070 1.00 13.30 O ATOM 345 CB VAL A 33 -3.295 -11.646 -14.771 1.00 13.27 C ATOM 346 CG1 VAL A 33 -3.923 -12.900 -15.387 1.00 13.95 C ATOM 347 CG2 VAL A 33 -2.769 -11.940 -13.372 1.00 13.98 C ATOM 348 H VAL A 33 -2.074 -9.070 -14.917 1.00 0.00 H ATOM 349 N GLU A 34 -2.235 -11.241 -18.099 1.00 12.42 N ATOM 350 CA GLU A 34 -2.517 -10.779 -19.454 1.00 15.36 C ATOM 351 C GLU A 34 -2.822 -11.964 -20.356 1.00 14.08 C ATOM 352 O GLU A 34 -2.234 -13.042 -20.218 1.00 14.44 O ATOM 353 CB GLU A 34 -1.280 -10.023 -20.004 1.00 18.70 C ATOM 354 CG GLU A 34 -1.481 -9.027 -21.092 1.00 22.70 C ATOM 355 CD GLU A 34 -0.203 -8.277 -21.418 1.00 20.16 C ATOM 356 OE1 GLU A 34 0.396 -8.643 -22.449 1.00 23.52 O ATOM 357 OE2 GLU A 34 0.210 -7.317 -20.681 1.00 20.90 O ATOM 358 H GLU A 34 -1.619 -12.069 -17.974 1.00 0.00 H ATOM 359 N LYS A 35 -3.706 -11.746 -21.306 1.00 16.52 N ATOM 360 CA LYS A 35 -4.033 -12.764 -22.276 1.00 16.12 C ATOM 361 C LYS A 35 -2.815 -13.060 -23.150 1.00 17.43 C ATOM 362 O LYS A 35 -2.105 -12.138 -23.579 1.00 18.95 O ATOM 363 CB LYS A 35 -5.165 -12.194 -23.118 1.00 21.60 C ATOM 364 CG LYS A 35 -5.750 -13.137 -24.076 1.00 18.43 C ATOM 365 CD LYS A 35 -6.974 -12.515 -24.705 1.00 23.74 C ATOM 366 CE LYS A 35 -6.573 -11.647 -25.869 1.00 30.32 C ATOM 367 NZ LYS A 35 -5.937 -12.449 -26.954 1.00 34.87 N ATOM 368 HZ1 LYS A 35 -5.086 -12.918 -26.583 1.00 0.00 H ATOM 369 HZ2 LYS A 35 -6.610 -13.166 -27.293 1.00 0.00 H ATOM 370 HZ3 LYS A 35 -5.674 -11.820 -27.739 1.00 0.00 H ATOM 371 H LYS A 35 -4.179 -10.821 -21.359 1.00 0.00 H ATOM 372 N ALA A 36 -2.570 -14.325 -23.426 1.00 16.09 N ATOM 373 CA ALA A 36 -1.456 -14.681 -24.277 1.00 16.69 C ATOM 374 C ALA A 36 -1.757 -14.280 -25.714 1.00 16.45 C ATOM 375 O ALA A 36 -2.931 -14.222 -26.129 1.00 16.58 O ATOM 376 CB ALA A 36 -1.185 -16.182 -24.212 1.00 18.46 C ATOM 377 H ALA A 36 -3.179 -15.069 -23.031 1.00 0.00 H ATOM 378 N PRO A 37 -0.715 -13.975 -26.483 1.00 21.34 N ATOM 379 CA PRO A 37 -0.880 -13.861 -27.928 1.00 23.65 C ATOM 380 C PRO A 37 -1.668 -15.040 -28.468 1.00 20.03 C ATOM 381 O PRO A 37 -1.505 -16.195 -28.038 1.00 20.15 O ATOM 382 CB PRO A 37 0.560 -13.859 -28.446 1.00 27.33 C ATOM 383 CG PRO A 37 1.349 -13.304 -27.321 1.00 29.59 C ATOM 384 CD PRO A 37 0.701 -13.846 -26.084 1.00 25.04 C ATOM 385 N LYS A 38 -2.587 -14.713 -29.369 1.00 23.97 N ATOM 386 CA LYS A 38 -3.451 -15.645 -30.087 1.00 24.57 C ATOM 387 C LYS A 38 -4.565 -16.272 -29.263 1.00 22.41 C ATOM 388 O LYS A 38 -5.376 -17.017 -29.817 1.00 26.05 O ATOM 389 CB LYS A 38 -2.660 -16.755 -30.784 1.00 28.36 C ATOM 390 CG LYS A 38 -1.733 -16.261 -31.858 1.00 33.39 C ATOM 391 CD LYS A 38 -1.160 -17.415 -32.659 1.00 37.95 C ATOM 392 CE LYS A 38 -0.266 -16.916 -33.774 1.00 41.58 C ATOM 393 NZ LYS A 38 -1.015 -16.171 -34.825 1.00 44.94 N ATOM 394 HZ1 LYS A 38 -1.732 -16.796 -35.247 1.00 0.00 H ATOM 395 HZ2 LYS A 38 -1.481 -15.346 -34.397 1.00 0.00 H ATOM 396 HZ3 LYS A 38 -0.353 -15.854 -35.562 1.00 0.00 H ATOM 397 H LYS A 38 -2.702 -13.702 -29.582 1.00 0.00 H ATOM 398 N ALA A 39 -4.615 -16.022 -27.958 1.00 19.07 N ATOM 399 CA ALA A 39 -5.602 -16.717 -27.150 1.00 20.32 C ATOM 400 C ALA A 39 -7.001 -16.316 -27.589 1.00 20.02 C ATOM 401 O ALA A 39 -7.267 -15.145 -27.864 1.00 22.78 O ATOM 402 CB ALA A 39 -5.406 -16.393 -25.669 1.00 19.90 C ATOM 403 H ALA A 39 -3.959 -15.341 -27.524 1.00 0.00 H ATOM 404 N ARG A 40 -7.897 -17.295 -27.625 1.00 20.05 N ATOM 405 CA ARG A 40 -9.289 -17.081 -28.006 1.00 23.01 C ATOM 406 C ARG A 40 -10.154 -17.046 -26.755 1.00 23.21 C ATOM 407 O ARG A 40 -11.039 -17.850 -26.513 1.00 29.38 O ATOM 408 CB ARG A 40 -9.741 -18.175 -28.957 1.00 23.91 C ATOM 409 CG ARG A 40 -9.065 -18.174 -30.343 1.00 25.76 C ATOM 410 CD ARG A 40 -8.598 -19.578 -30.748 1.00 25.57 C ATOM 411 NE ARG A 40 -7.635 -19.977 -29.737 1.00 26.19 N ATOM 412 CZ ARG A 40 -6.313 -20.009 -29.885 1.00 27.84 C ATOM 413 NH1 ARG A 40 -5.746 -19.759 -31.063 1.00 27.69 N ATOM 414 NH2 ARG A 40 -5.553 -20.321 -28.846 1.00 23.03 N ATOM 415 HE ARG A 40 -8.013 -20.264 -28.812 1.00 0.00 H ATOM 416 HH12 ARG A 40 -4.711 -19.789 -31.159 1.00 0.00 H ATOM 417 HH11 ARG A 40 -6.338 -19.534 -31.888 1.00 0.00 H ATOM 418 HH22 ARG A 40 -4.518 -20.350 -28.948 1.00 0.00 H ATOM 419 HH21 ARG A 40 -5.991 -20.537 -27.928 1.00 0.00 H ATOM 420 H ARG A 40 -7.593 -18.257 -27.370 1.00 0.00 H ATOM 421 N VAL A 41 -9.803 -16.095 -25.908 1.00 20.07 N ATOM 422 CA VAL A 41 -10.479 -15.842 -24.640 1.00 19.80 C ATOM 423 C VAL A 41 -10.588 -14.340 -24.523 1.00 20.61 C ATOM 424 O VAL A 41 -9.826 -13.602 -25.159 1.00 21.68 O ATOM 425 CB VAL A 41 -9.677 -16.375 -23.444 1.00 24.54 C ATOM 426 CG1 VAL A 41 -9.615 -17.874 -23.460 1.00 25.81 C ATOM 427 CG2 VAL A 41 -8.306 -15.777 -23.483 1.00 28.15 C ATOM 428 H VAL A 41 -8.996 -15.490 -26.160 1.00 0.00 H ATOM 429 N PRO A 42 -11.532 -13.854 -23.738 1.00 22.57 N ATOM 430 CA PRO A 42 -11.599 -12.414 -23.503 1.00 24.53 C ATOM 431 C PRO A 42 -10.471 -11.960 -22.594 1.00 21.83 C ATOM 432 O PRO A 42 -9.839 -12.733 -21.867 1.00 23.69 O ATOM 433 CB PRO A 42 -12.960 -12.216 -22.830 1.00 27.24 C ATOM 434 CG PRO A 42 -13.316 -13.541 -22.273 1.00 28.66 C ATOM 435 CD PRO A 42 -12.643 -14.594 -23.116 1.00 25.07 C ATOM 436 N ASP A 43 -10.202 -10.665 -22.663 1.00 19.25 N ATOM 437 CA ASP A 43 -9.380 -10.050 -21.638 1.00 18.88 C ATOM 438 C ASP A 43 -10.139 -9.957 -20.325 1.00 17.07 C ATOM 439 O ASP A 43 -11.361 -9.749 -20.294 1.00 17.94 O ATOM 440 CB ASP A 43 -8.957 -8.643 -22.051 1.00 17.43 C ATOM 441 CG ASP A 43 -8.190 -8.640 -23.338 1.00 19.81 C ATOM 442 OD1 ASP A 43 -8.823 -8.610 -24.426 1.00 23.58 O ATOM 443 OD2 ASP A 43 -6.951 -8.654 -23.273 1.00 21.10 O ATOM 444 H ASP A 43 -10.577 -10.093 -23.446 1.00 0.00 H ATOM 445 N LEU A 44 -9.393 -10.051 -19.229 1.00 16.73 N ATOM 446 CA LEU A 44 -9.964 -9.735 -17.939 1.00 15.22 C ATOM 447 C LEU A 44 -10.303 -8.253 -17.881 1.00 15.07 C ATOM 448 O LEU A 44 -9.783 -7.438 -18.647 1.00 15.92 O ATOM 449 CB LEU A 44 -8.914 -9.987 -16.865 1.00 15.83 C ATOM 450 CG LEU A 44 -8.535 -11.442 -16.651 1.00 17.41 C ATOM 451 CD1 LEU A 44 -7.272 -11.534 -15.797 1.00 15.91 C ATOM 452 CD2 LEU A 44 -9.657 -12.211 -15.960 1.00 23.55 C ATOM 453 H LEU A 44 -8.400 -10.351 -19.299 1.00 0.00 H ATOM 454 N ASP A 45 -11.156 -7.906 -16.923 1.00 17.14 N ATOM 455 CA ASP A 45 -11.471 -6.510 -16.657 1.00 19.63 C ATOM 456 C ASP A 45 -10.283 -5.730 -16.114 1.00 18.66 C ATOM 457 O ASP A 45 -10.218 -4.504 -16.270 1.00 21.57 O ATOM 458 CB ASP A 45 -12.626 -6.436 -15.649 1.00 24.41 C ATOM 459 CG ASP A 45 -12.373 -7.257 -14.325 1.00 27.04 C ATOM 460 OD1 ASP A 45 -11.703 -8.325 -14.342 1.00 30.49 O ATOM 461 OD2 ASP A 45 -12.872 -6.818 -13.250 1.00 30.83 O ATOM 462 H ASP A 45 -11.608 -8.648 -16.351 1.00 0.00 H ATOM 463 N LYS A 46 -9.365 -6.407 -15.438 1.00 17.21 N ATOM 464 CA LYS A 46 -8.239 -5.756 -14.793 1.00 15.61 C ATOM 465 C LYS A 46 -7.015 -6.604 -15.084 1.00 15.75 C ATOM 466 O LYS A 46 -7.114 -7.823 -15.253 1.00 16.33 O ATOM 467 CB LYS A 46 -8.436 -5.731 -13.271 1.00 16.80 C ATOM 468 CG LYS A 46 -9.619 -4.910 -12.812 1.00 19.07 C ATOM 469 CD LYS A 46 -9.378 -3.426 -13.026 1.00 19.29 C ATOM 470 CE LYS A 46 -10.590 -2.570 -12.683 1.00 21.61 C ATOM 471 NZ LYS A 46 -10.209 -1.131 -12.840 1.00 23.97 N ATOM 472 HZ1 LYS A 46 -9.422 -0.910 -12.197 1.00 0.00 H ATOM 473 HZ2 LYS A 46 -9.915 -0.957 -13.822 1.00 0.00 H ATOM 474 HZ3 LYS A 46 -11.026 -0.530 -12.609 1.00 0.00 H ATOM 475 H LYS A 46 -9.455 -7.441 -15.367 1.00 0.00 H ATOM 476 N ARG A 47 -5.845 -5.961 -15.087 1.00 14.03 N ATOM 477 CA ARG A 47 -4.573 -6.607 -15.384 1.00 13.89 C ATOM 478 C ARG A 47 -3.611 -6.630 -14.203 1.00 12.58 C ATOM 479 O ARG A 47 -2.788 -7.548 -14.107 1.00 12.30 O ATOM 480 CB ARG A 47 -3.950 -5.833 -16.563 1.00 17.16 C ATOM 481 CG ARG A 47 -2.635 -6.279 -17.011 1.00 17.41 C ATOM 482 CD ARG A 47 -2.408 -5.913 -18.515 1.00 20.37 C ATOM 483 NE ARG A 47 -2.433 -4.468 -18.805 1.00 17.79 N ATOM 484 CZ ARG A 47 -1.824 -3.934 -19.858 1.00 17.08 C ATOM 485 NH1 ARG A 47 -1.868 -2.627 -20.064 1.00 19.01 N ATOM 486 NH2 ARG A 47 -1.160 -4.717 -20.689 1.00 18.08 N ATOM 487 HE ARG A 47 -2.950 -3.839 -18.157 1.00 0.00 H ATOM 488 HH12 ARG A 47 -1.389 -2.214 -20.890 1.00 0.00 H ATOM 489 HH11 ARG A 47 -2.381 -2.013 -19.400 1.00 0.00 H ATOM 490 HH22 ARG A 47 -0.680 -4.309 -21.516 1.00 0.00 H ATOM 491 HH21 ARG A 47 -1.117 -5.742 -20.516 1.00 0.00 H ATOM 492 H ARG A 47 -5.841 -4.945 -14.866 1.00 0.00 H ATOM 493 N LYS A 48 -3.662 -5.631 -13.321 1.00 11.96 N ATOM 494 CA LYS A 48 -2.657 -5.446 -12.279 1.00 12.37 C ATOM 495 C LYS A 48 -3.246 -5.848 -10.937 1.00 12.30 C ATOM 496 O LYS A 48 -4.141 -5.166 -10.410 1.00 13.78 O ATOM 497 CB LYS A 48 -2.126 -4.009 -12.249 1.00 15.82 C ATOM 498 CG LYS A 48 -0.962 -3.835 -11.322 1.00 18.41 C ATOM 499 CD LYS A 48 -0.259 -2.469 -11.464 1.00 22.19 C ATOM 500 CE LYS A 48 -1.012 -1.365 -10.744 1.00 23.96 C ATOM 501 NZ LYS A 48 -0.416 -0.008 -11.018 1.00 24.57 N ATOM 502 HZ1 LYS A 48 0.573 0.007 -10.695 1.00 0.00 H ATOM 503 HZ2 LYS A 48 -0.451 0.185 -12.039 1.00 0.00 H ATOM 504 HZ3 LYS A 48 -0.959 0.717 -10.508 1.00 0.00 H ATOM 505 H LYS A 48 -4.451 -4.956 -13.378 1.00 0.00 H ATOM 506 N TYR A 49 -2.770 -6.961 -10.403 1.00 10.93 N ATOM 507 CA TYR A 49 -3.330 -7.566 -9.208 1.00 12.06 C ATOM 508 C TYR A 49 -2.351 -7.536 -8.049 1.00 11.87 C ATOM 509 O TYR A 49 -1.133 -7.512 -8.227 1.00 12.15 O ATOM 510 CB TYR A 49 -3.739 -9.019 -9.473 1.00 12.32 C ATOM 511 CG TYR A 49 -4.890 -9.122 -10.443 1.00 11.97 C ATOM 512 CD1 TYR A 49 -4.666 -9.163 -11.826 1.00 12.43 C ATOM 513 CD2 TYR A 49 -6.197 -9.088 -9.978 1.00 13.02 C ATOM 514 CE1 TYR A 49 -5.752 -9.219 -12.713 1.00 13.71 C ATOM 515 CE2 TYR A 49 -7.270 -9.144 -10.856 1.00 13.42 C ATOM 516 CZ TYR A 49 -7.054 -9.208 -12.209 1.00 13.54 C ATOM 517 OH TYR A 49 -8.141 -9.261 -13.062 1.00 15.18 O ATOM 518 HH TYR A 49 -7.822 -9.304 -13.998 1.00 0.00 H ATOM 519 H TYR A 49 -1.958 -7.423 -10.860 1.00 0.00 H ATOM 520 N LEU A 50 -2.898 -7.584 -6.850 1.00 11.83 N ATOM 521 CA LEU A 50 -2.141 -7.773 -5.624 1.00 12.40 C ATOM 522 C LEU A 50 -2.716 -8.983 -4.912 1.00 11.52 C ATOM 523 O LEU A 50 -3.934 -9.046 -4.683 1.00 12.80 O ATOM 524 CB LEU A 50 -2.258 -6.517 -4.794 1.00 15.38 C ATOM 525 CG LEU A 50 -1.206 -6.175 -3.771 1.00 19.54 C ATOM 526 CD1 LEU A 50 0.220 -6.208 -4.339 1.00 15.80 C ATOM 527 CD2 LEU A 50 -1.501 -4.776 -3.214 1.00 19.94 C ATOM 528 H LEU A 50 -3.930 -7.481 -6.778 1.00 0.00 H ATOM 529 N VAL A 51 -1.854 -9.954 -4.606 1.00 11.35 N ATOM 530 CA VAL A 51 -2.270 -11.313 -4.260 1.00 11.47 C ATOM 531 C VAL A 51 -1.626 -11.739 -2.947 1.00 11.60 C ATOM 532 O VAL A 51 -0.410 -11.560 -2.805 1.00 11.60 O ATOM 533 CB VAL A 51 -1.841 -12.279 -5.385 1.00 13.77 C ATOM 534 CG1 VAL A 51 -2.423 -13.633 -5.142 1.00 14.63 C ATOM 535 CG2 VAL A 51 -2.213 -11.719 -6.763 1.00 14.70 C ATOM 536 H VAL A 51 -0.838 -9.734 -4.614 1.00 0.00 H ATOM 537 N PRO A 52 -2.341 -12.363 -2.007 1.00 11.11 N ATOM 538 CA PRO A 52 -1.656 -12.893 -0.813 1.00 11.81 C ATOM 539 C PRO A 52 -0.567 -13.888 -1.195 1.00 11.36 C ATOM 540 O PRO A 52 -0.753 -14.757 -2.038 1.00 11.60 O ATOM 541 CB PRO A 52 -2.786 -13.548 -0.001 1.00 12.71 C ATOM 542 CG PRO A 52 -4.014 -12.840 -0.453 1.00 13.43 C ATOM 543 CD PRO A 52 -3.807 -12.566 -1.929 1.00 12.48 C ATOM 544 N SER A 53 0.580 -13.775 -0.519 1.00 11.84 N ATOM 545 CA SER A 53 1.722 -14.618 -0.849 1.00 12.76 C ATOM 546 C SER A 53 1.461 -16.094 -0.579 1.00 12.45 C ATOM 547 O SER A 53 2.088 -16.953 -1.208 1.00 14.35 O ATOM 548 CB SER A 53 2.929 -14.148 -0.060 1.00 12.88 C ATOM 549 OG SER A 53 3.245 -12.834 -0.457 1.00 12.90 O ATOM 550 HG SER A 53 2.473 -12.241 -0.276 1.00 0.00 H ATOM 551 H SER A 53 0.658 -13.079 0.250 1.00 0.00 H ATOM 552 N ASP A 54 0.587 -16.411 0.375 1.00 12.10 N ATOM 553 CA ASP A 54 0.322 -17.812 0.677 1.00 13.24 C ATOM 554 C ASP A 54 -0.792 -18.409 -0.176 1.00 13.33 C ATOM 555 O ASP A 54 -1.070 -19.609 -0.068 1.00 15.55 O ATOM 556 CB ASP A 54 0.048 -18.073 2.164 1.00 15.62 C ATOM 557 CG ASP A 54 -1.177 -17.398 2.650 1.00 17.97 C ATOM 558 OD1 ASP A 54 -1.658 -16.476 1.972 1.00 18.99 O ATOM 559 OD2 ASP A 54 -1.639 -17.759 3.763 1.00 21.66 O ATOM 560 H ASP A 54 0.095 -15.661 0.902 1.00 0.00 H ATOM 561 N LEU A 55 -1.411 -17.646 -1.051 1.00 11.97 N ATOM 562 CA LEU A 55 -2.421 -18.209 -1.945 1.00 11.76 C ATOM 563 C LEU A 55 -1.735 -19.177 -2.906 1.00 11.80 C ATOM 564 O LEU A 55 -0.667 -18.871 -3.425 1.00 13.34 O ATOM 565 CB LEU A 55 -3.049 -17.060 -2.728 1.00 13.42 C ATOM 566 CG LEU A 55 -4.367 -17.380 -3.433 1.00 12.85 C ATOM 567 CD1 LEU A 55 -5.521 -17.466 -2.433 1.00 14.11 C ATOM 568 CD2 LEU A 55 -4.652 -16.354 -4.485 1.00 14.32 C ATOM 569 H LEU A 55 -1.180 -16.634 -1.107 1.00 0.00 H ATOM 570 N THR A 56 -2.342 -20.337 -3.152 1.00 11.63 N ATOM 571 CA THR A 56 -1.731 -21.231 -4.122 1.00 11.52 C ATOM 572 C THR A 56 -2.103 -20.835 -5.536 1.00 10.84 C ATOM 573 O THR A 56 -3.083 -20.132 -5.786 1.00 11.37 O ATOM 574 CB THR A 56 -2.130 -22.692 -3.903 1.00 12.59 C ATOM 575 OG1 THR A 56 -3.542 -22.821 -4.165 1.00 13.29 O ATOM 576 CG2 THR A 56 -1.779 -23.202 -2.482 1.00 15.95 C ATOM 577 HG1 THR A 56 -3.817 -23.762 -4.028 1.00 0.00 H ATOM 578 H THR A 56 -3.224 -20.595 -2.666 1.00 0.00 H ATOM 579 N VAL A 57 -1.325 -21.358 -6.487 1.00 11.45 N ATOM 580 CA VAL A 57 -1.647 -21.196 -7.894 1.00 10.72 C ATOM 581 C VAL A 57 -3.039 -21.730 -8.190 1.00 10.84 C ATOM 582 O VAL A 57 -3.812 -21.097 -8.914 1.00 11.56 O ATOM 583 CB VAL A 57 -0.586 -21.908 -8.752 1.00 11.61 C ATOM 584 CG1 VAL A 57 -1.055 -22.013 -10.196 1.00 14.74 C ATOM 585 CG2 VAL A 57 0.737 -21.178 -8.644 1.00 12.92 C ATOM 586 H VAL A 57 -0.474 -21.890 -6.216 1.00 0.00 H ATOM 587 N GLY A 58 -3.406 -22.882 -7.613 1.00 10.97 N ATOM 588 CA GLY A 58 -4.752 -23.390 -7.850 1.00 11.93 C ATOM 589 C GLY A 58 -5.834 -22.445 -7.359 1.00 10.89 C ATOM 590 O GLY A 58 -6.879 -22.279 -8.004 1.00 11.29 O ATOM 591 H GLY A 58 -2.742 -23.405 -7.007 1.00 0.00 H ATOM 592 N GLN A 59 -5.625 -21.824 -6.191 1.00 10.81 N ATOM 593 CA GLN A 59 -6.602 -20.841 -5.695 1.00 10.83 C ATOM 594 C GLN A 59 -6.635 -19.602 -6.585 1.00 10.71 C ATOM 595 O GLN A 59 -7.714 -19.035 -6.841 1.00 11.43 O ATOM 596 CB GLN A 59 -6.258 -20.435 -4.282 1.00 11.23 C ATOM 597 CG GLN A 59 -6.455 -21.522 -3.246 1.00 11.95 C ATOM 598 CD GLN A 59 -5.910 -21.085 -1.905 1.00 12.80 C ATOM 599 OE1 GLN A 59 -4.703 -20.951 -1.748 1.00 15.27 O ATOM 600 NE2 GLN A 59 -6.766 -20.823 -0.955 1.00 14.33 N ATOM 601 HE22 GLN A 59 -7.785 -20.948 -1.124 1.00 0.00 H ATOM 602 HE21 GLN A 59 -6.429 -20.489 -0.029 1.00 0.00 H ATOM 603 H GLN A 59 -4.772 -22.036 -5.634 1.00 0.00 H ATOM 604 N PHE A 60 -5.460 -19.125 -7.018 1.00 10.51 N ATOM 605 CA PHE A 60 -5.400 -17.972 -7.914 1.00 10.54 C ATOM 606 C PHE A 60 -6.116 -18.276 -9.228 1.00 10.18 C ATOM 607 O PHE A 60 -6.899 -17.453 -9.740 1.00 11.37 O ATOM 608 CB PHE A 60 -3.937 -17.607 -8.122 1.00 10.92 C ATOM 609 CG PHE A 60 -3.743 -16.354 -8.902 1.00 11.23 C ATOM 610 CD1 PHE A 60 -4.220 -15.127 -8.427 1.00 12.34 C ATOM 611 CD2 PHE A 60 -3.038 -16.363 -10.107 1.00 13.10 C ATOM 612 CE1 PHE A 60 -3.994 -13.977 -9.120 1.00 12.93 C ATOM 613 CE2 PHE A 60 -2.807 -15.189 -10.800 1.00 13.68 C ATOM 614 CZ PHE A 60 -3.286 -13.998 -10.312 1.00 13.79 C ATOM 615 H PHE A 60 -4.577 -19.582 -6.712 1.00 0.00 H ATOM 616 N TYR A 61 -5.878 -19.466 -9.777 1.00 10.99 N ATOM 617 CA TYR A 61 -6.581 -19.903 -10.970 1.00 11.99 C ATOM 618 C TYR A 61 -8.084 -19.898 -10.752 1.00 11.38 C ATOM 619 O TYR A 61 -8.836 -19.419 -11.604 1.00 11.11 O ATOM 620 CB TYR A 61 -6.105 -21.295 -11.339 1.00 12.31 C ATOM 621 CG TYR A 61 -6.821 -21.850 -12.548 1.00 12.53 C ATOM 622 CD1 TYR A 61 -6.368 -21.592 -13.835 1.00 13.03 C ATOM 623 CD2 TYR A 61 -7.989 -22.615 -12.410 1.00 12.70 C ATOM 624 CE1 TYR A 61 -6.986 -22.117 -14.949 1.00 13.96 C ATOM 625 CE2 TYR A 61 -8.640 -23.149 -13.525 1.00 13.12 C ATOM 626 CZ TYR A 61 -8.131 -22.881 -14.794 1.00 12.81 C ATOM 627 OH TYR A 61 -8.756 -23.447 -15.879 1.00 14.65 O ATOM 628 HH TYR A 61 -8.290 -23.172 -16.708 1.00 0.00 H ATOM 629 H TYR A 61 -5.174 -20.096 -9.342 1.00 0.00 H ATOM 630 N PHE A 62 -8.543 -20.443 -9.623 1.00 10.74 N ATOM 631 CA PHE A 62 -9.973 -20.446 -9.346 1.00 11.99 C ATOM 632 C PHE A 62 -10.543 -19.044 -9.494 1.00 11.26 C ATOM 633 O PHE A 62 -11.600 -18.833 -10.112 1.00 12.09 O ATOM 634 CB PHE A 62 -10.145 -21.002 -7.925 1.00 12.24 C ATOM 635 CG PHE A 62 -11.585 -21.089 -7.437 1.00 13.02 C ATOM 636 CD1 PHE A 62 -12.311 -19.955 -7.162 1.00 15.18 C ATOM 637 CD2 PHE A 62 -12.184 -22.324 -7.215 1.00 17.32 C ATOM 638 CE1 PHE A 62 -13.646 -20.056 -6.675 1.00 19.64 C ATOM 639 CE2 PHE A 62 -13.497 -22.424 -6.741 1.00 21.72 C ATOM 640 CZ PHE A 62 -14.223 -21.298 -6.486 1.00 21.31 C ATOM 641 H PHE A 62 -7.880 -20.865 -8.942 1.00 0.00 H ATOM 642 N LEU A 63 -9.871 -18.064 -8.885 1.00 10.93 N ATOM 643 CA LEU A 63 -10.427 -16.708 -8.807 1.00 11.54 C ATOM 644 C LEU A 63 -10.343 -15.997 -10.156 1.00 11.28 C ATOM 645 O LEU A 63 -11.250 -15.241 -10.521 1.00 12.70 O ATOM 646 CB LEU A 63 -9.722 -15.941 -7.700 1.00 12.14 C ATOM 647 CG LEU A 63 -10.022 -16.529 -6.314 1.00 13.41 C ATOM 648 CD1 LEU A 63 -9.042 -15.986 -5.278 1.00 16.23 C ATOM 649 CD2 LEU A 63 -11.455 -16.271 -5.885 1.00 15.28 C ATOM 650 H LEU A 63 -8.943 -18.264 -8.461 1.00 0.00 H ATOM 651 N ILE A 64 -9.258 -16.220 -10.913 1.00 11.58 N ATOM 652 CA ILE A 64 -9.178 -15.644 -12.253 1.00 12.39 C ATOM 653 C ILE A 64 -10.177 -16.325 -13.197 1.00 13.03 C ATOM 654 O ILE A 64 -10.833 -15.654 -14.010 1.00 13.96 O ATOM 655 CB ILE A 64 -7.724 -15.754 -12.773 1.00 12.75 C ATOM 656 CG1 ILE A 64 -6.765 -14.888 -11.931 1.00 13.65 C ATOM 657 CG2 ILE A 64 -7.670 -15.392 -14.249 1.00 13.31 C ATOM 658 CD1 ILE A 64 -6.914 -13.369 -12.106 1.00 14.03 C ATOM 659 H ILE A 64 -8.477 -16.801 -10.547 1.00 0.00 H ATOM 660 N ARG A 65 -10.278 -17.661 -13.120 1.00 12.83 N ATOM 661 CA ARG A 65 -11.221 -18.439 -13.956 1.00 14.36 C ATOM 662 C ARG A 65 -12.660 -18.078 -13.643 1.00 14.68 C ATOM 663 O ARG A 65 -13.513 -18.197 -14.519 1.00 14.13 O ATOM 664 CB ARG A 65 -10.969 -19.954 -13.772 1.00 13.81 C ATOM 665 CG ARG A 65 -11.868 -20.919 -14.617 1.00 14.91 C ATOM 666 CD ARG A 65 -11.677 -20.698 -16.091 1.00 15.34 C ATOM 667 NE ARG A 65 -12.557 -21.527 -16.891 1.00 15.30 N ATOM 668 CZ ARG A 65 -13.814 -21.211 -17.194 1.00 15.36 C ATOM 669 NH1 ARG A 65 -14.533 -22.043 -17.933 1.00 14.09 N ATOM 670 NH2 ARG A 65 -14.350 -20.089 -16.713 1.00 15.78 N ATOM 671 HE ARG A 65 -12.182 -22.427 -17.252 1.00 0.00 H ATOM 672 HH12 ARG A 65 -15.516 -21.806 -18.176 1.00 0.00 H ATOM 673 HH11 ARG A 65 -14.114 -22.933 -18.270 1.00 0.00 H ATOM 674 HH22 ARG A 65 -15.332 -19.839 -16.948 1.00 0.00 H ATOM 675 HH21 ARG A 65 -13.786 -19.463 -16.103 1.00 0.00 H ATOM 676 H ARG A 65 -9.670 -18.170 -12.447 1.00 0.00 H ATOM 677 N LYS A 66 -12.925 -17.620 -12.421 1.00 14.70 N ATOM 678 CA LYS A 66 -14.247 -17.204 -12.031 1.00 16.06 C ATOM 679 C LYS A 66 -14.556 -15.859 -12.642 1.00 14.41 C ATOM 680 O LYS A 66 -15.675 -15.648 -13.116 1.00 17.38 O ATOM 681 CB LYS A 66 -14.332 -17.157 -10.507 1.00 15.26 C ATOM 682 CG LYS A 66 -15.640 -16.618 -10.008 1.00 18.03 C ATOM 683 CD LYS A 66 -15.615 -16.489 -8.509 1.00 18.35 C ATOM 684 CE LYS A 66 -16.988 -16.063 -8.056 1.00 19.17 C ATOM 685 NZ LYS A 66 -17.082 -15.807 -6.600 1.00 17.94 N ATOM 686 HZ1 LYS A 66 -16.839 -16.675 -6.080 1.00 0.00 H ATOM 687 HZ2 LYS A 66 -16.420 -15.048 -6.339 1.00 0.00 H ATOM 688 HZ3 LYS A 66 -18.053 -15.519 -6.362 1.00 0.00 H ATOM 689 H LYS A 66 -12.153 -17.561 -11.727 1.00 0.00 H ATOM 690 N ARG A 67 -13.576 -14.947 -12.694 1.00 15.93 N ATOM 691 CA ARG A 67 -13.906 -13.603 -13.118 1.00 16.17 C ATOM 692 C ARG A 67 -13.847 -13.395 -14.625 1.00 17.66 C ATOM 693 O ARG A 67 -14.531 -12.500 -15.119 1.00 18.55 O ATOM 694 CB ARG A 67 -13.040 -12.578 -12.412 1.00 14.71 C ATOM 695 CG ARG A 67 -11.700 -12.433 -13.035 1.00 12.80 C ATOM 696 CD ARG A 67 -10.765 -11.733 -12.099 1.00 13.76 C ATOM 697 NE ARG A 67 -11.121 -10.333 -11.899 1.00 12.56 N ATOM 698 CZ ARG A 67 -11.209 -9.733 -10.716 1.00 13.54 C ATOM 699 NH1 ARG A 67 -11.042 -10.431 -9.602 1.00 14.52 N ATOM 700 NH2 ARG A 67 -11.494 -8.439 -10.642 1.00 15.59 N ATOM 701 HE ARG A 67 -11.321 -9.762 -12.745 1.00 0.00 H ATOM 702 HH12 ARG A 67 -11.111 -9.960 -8.678 1.00 0.00 H ATOM 703 HH11 ARG A 67 -10.842 -11.450 -9.652 1.00 0.00 H ATOM 704 HH22 ARG A 67 -11.562 -7.974 -9.714 1.00 0.00 H ATOM 705 HH21 ARG A 67 -11.649 -7.890 -11.512 1.00 0.00 H ATOM 706 H ARG A 67 -12.601 -15.199 -12.436 1.00 0.00 H ATOM 707 N ILE A 68 -13.132 -14.211 -15.382 1.00 15.20 N ATOM 708 CA ILE A 68 -13.098 -14.026 -16.822 1.00 14.81 C ATOM 709 C ILE A 68 -14.464 -14.362 -17.414 1.00 14.63 C ATOM 710 O ILE A 68 -15.205 -15.229 -16.921 1.00 17.85 O ATOM 711 CB ILE A 68 -11.986 -14.933 -17.397 1.00 13.12 C ATOM 712 CG1 ILE A 68 -11.677 -14.614 -18.852 1.00 15.26 C ATOM 713 CG2 ILE A 68 -12.322 -16.454 -17.263 1.00 15.85 C ATOM 714 CD1 ILE A 68 -10.405 -15.274 -19.295 1.00 17.64 C ATOM 715 H ILE A 68 -12.593 -14.986 -14.945 1.00 0.00 H ATOM 716 N HIS A 69 -14.770 -13.730 -18.535 1.00 16.33 N ATOM 717 CA HIS A 69 -16.049 -13.977 -19.196 1.00 19.14 C ATOM 718 C HIS A 69 -15.945 -15.174 -20.138 1.00 21.48 C ATOM 719 O HIS A 69 -15.895 -15.041 -21.360 1.00 29.04 O ATOM 720 CB HIS A 69 -16.479 -12.735 -19.956 1.00 22.97 C ATOM 721 CG HIS A 69 -17.243 -11.751 -19.131 1.00 26.04 C ATOM 722 ND1 HIS A 69 -16.735 -11.154 -17.999 1.00 30.76 N ATOM 723 CD2 HIS A 69 -18.484 -11.239 -19.300 1.00 29.53 C ATOM 724 CE1 HIS A 69 -17.631 -10.311 -17.509 1.00 27.90 C ATOM 725 NE2 HIS A 69 -18.702 -10.348 -18.278 1.00 32.72 N ATOM 726 H HIS A 69 -14.096 -13.054 -18.948 1.00 0.00 H ATOM 727 N LEU A 70 -15.897 -16.368 -19.541 1.00 20.84 N ATOM 728 CA LEU A 70 -15.941 -17.620 -20.282 1.00 18.48 C ATOM 729 C LEU A 70 -17.181 -18.425 -19.909 1.00 18.78 C ATOM 730 O LEU A 70 -17.758 -18.277 -18.826 1.00 21.56 O ATOM 731 CB LEU A 70 -14.714 -18.484 -20.002 1.00 18.24 C ATOM 732 CG LEU A 70 -13.384 -18.004 -20.607 1.00 18.40 C ATOM 733 CD1 LEU A 70 -12.278 -18.911 -20.115 1.00 19.78 C ATOM 734 CD2 LEU A 70 -13.405 -17.935 -22.170 1.00 20.03 C ATOM 735 H LEU A 70 -15.825 -16.405 -18.504 1.00 0.00 H ATOM 736 N ARG A 71 -17.572 -19.314 -20.802 1.00 17.82 N ATOM 737 CA ARG A 71 -18.633 -20.266 -20.489 1.00 17.95 C ATOM 738 C ARG A 71 -18.067 -21.386 -19.633 1.00 16.67 C ATOM 739 O ARG A 71 -16.847 -21.616 -19.613 1.00 15.10 O ATOM 740 CB ARG A 71 -19.187 -20.901 -21.756 1.00 21.46 C ATOM 741 CG ARG A 71 -19.811 -19.885 -22.665 1.00 28.51 C ATOM 742 CD ARG A 71 -20.054 -20.467 -24.046 1.00 35.73 C ATOM 743 NE ARG A 71 -18.797 -20.972 -24.592 1.00 38.83 N ATOM 744 CZ ARG A 71 -18.673 -21.617 -25.747 1.00 42.32 C ATOM 745 NH1 ARG A 71 -19.739 -21.848 -26.509 1.00 42.57 N ATOM 746 NH2 ARG A 71 -17.471 -22.029 -26.132 1.00 40.93 N ATOM 747 HE ARG A 71 -17.933 -20.815 -24.034 1.00 0.00 H ATOM 748 HH12 ARG A 71 -19.633 -22.354 -27.412 1.00 0.00 H ATOM 749 HH11 ARG A 71 -20.678 -21.523 -26.202 1.00 0.00 H ATOM 750 HH22 ARG A 71 -17.359 -22.535 -27.034 1.00 0.00 H ATOM 751 HH21 ARG A 71 -16.642 -21.846 -25.532 1.00 0.00 H ATOM 752 H ARG A 71 -17.120 -19.337 -21.738 1.00 0.00 H ATOM 753 N PRO A 72 -18.931 -22.131 -18.930 1.00 16.92 N ATOM 754 CA PRO A 72 -18.403 -23.211 -18.080 1.00 16.43 C ATOM 755 C PRO A 72 -17.521 -24.213 -18.809 1.00 15.24 C ATOM 756 O PRO A 72 -16.570 -24.747 -18.216 1.00 15.51 O ATOM 757 CB PRO A 72 -19.665 -23.855 -17.494 1.00 18.52 C ATOM 758 CG PRO A 72 -20.659 -22.683 -17.466 1.00 19.95 C ATOM 759 CD PRO A 72 -20.385 -21.912 -18.730 1.00 19.40 C ATOM 760 N GLU A 73 -17.806 -24.498 -20.077 1.00 14.59 N ATOM 761 CA GLU A 73 -17.065 -25.511 -20.818 1.00 14.92 C ATOM 762 C GLU A 73 -15.716 -25.034 -21.299 1.00 14.21 C ATOM 763 O GLU A 73 -14.927 -25.847 -21.776 1.00 14.86 O ATOM 764 CB GLU A 73 -17.867 -25.957 -22.047 1.00 17.25 C ATOM 765 CG GLU A 73 -18.000 -24.890 -23.126 1.00 24.58 C ATOM 766 H GLU A 73 -18.577 -23.985 -20.551 1.00 0.00 H ATOM 767 N ASP A 74 -15.457 -23.738 -21.263 1.00 13.99 N ATOM 768 CA ASP A 74 -14.249 -23.222 -21.898 1.00 13.69 C ATOM 769 C ASP A 74 -13.000 -23.528 -21.086 1.00 12.73 C ATOM 770 O ASP A 74 -13.022 -23.553 -19.859 1.00 14.07 O ATOM 771 CB ASP A 74 -14.367 -21.718 -22.080 1.00 15.79 C ATOM 772 CG ASP A 74 -15.409 -21.355 -23.133 1.00 18.44 C ATOM 773 OD1 ASP A 74 -15.566 -22.110 -24.111 1.00 25.03 O ATOM 774 OD2 ASP A 74 -16.065 -20.307 -23.002 1.00 20.93 O ATOM 775 H ASP A 74 -16.112 -23.088 -20.783 1.00 0.00 H ATOM 776 N ALA A 75 -11.904 -23.771 -21.791 1.00 12.73 N ATOM 777 CA ALA A 75 -10.622 -24.113 -21.165 1.00 12.26 C ATOM 778 C ALA A 75 -9.807 -22.857 -20.861 1.00 12.63 C ATOM 779 O ALA A 75 -9.892 -21.847 -21.577 1.00 13.11 O ATOM 780 CB ALA A 75 -9.801 -25.017 -22.092 1.00 14.24 C ATOM 781 H ALA A 75 -11.955 -23.717 -22.828 1.00 0.00 H ATOM 782 N LEU A 76 -8.983 -22.933 -19.813 1.00 11.72 N ATOM 783 CA LEU A 76 -8.067 -21.843 -19.480 1.00 11.65 C ATOM 784 C LEU A 76 -6.817 -22.444 -18.861 1.00 11.01 C ATOM 785 O LEU A 76 -6.910 -23.303 -17.978 1.00 11.35 O ATOM 786 CB LEU A 76 -8.721 -20.909 -18.454 1.00 13.78 C ATOM 787 CG LEU A 76 -8.000 -19.578 -18.241 1.00 15.53 C ATOM 788 CD1 LEU A 76 -8.018 -18.677 -19.483 1.00 17.21 C ATOM 789 CD2 LEU A 76 -8.527 -18.876 -16.996 1.00 17.91 C ATOM 790 H LEU A 76 -8.993 -23.787 -19.220 1.00 0.00 H ATOM 791 N PHE A 77 -5.657 -21.937 -19.293 1.00 11.15 N ATOM 792 CA PHE A 77 -4.347 -22.361 -18.789 1.00 11.72 C ATOM 793 C PHE A 77 -3.530 -21.127 -18.457 1.00 11.22 C ATOM 794 O PHE A 77 -3.621 -20.110 -19.144 1.00 12.10 O ATOM 795 CB PHE A 77 -3.571 -23.143 -19.869 1.00 12.06 C ATOM 796 CG PHE A 77 -4.234 -24.442 -20.244 1.00 11.26 C ATOM 797 CD1 PHE A 77 -3.936 -25.631 -19.582 1.00 13.62 C ATOM 798 CD2 PHE A 77 -5.222 -24.463 -21.231 1.00 11.96 C ATOM 799 CE1 PHE A 77 -4.600 -26.812 -19.920 1.00 14.76 C ATOM 800 CE2 PHE A 77 -5.844 -25.666 -21.583 1.00 12.41 C ATOM 801 CZ PHE A 77 -5.537 -26.811 -20.928 1.00 13.95 C ATOM 802 H PHE A 77 -5.686 -21.201 -20.027 1.00 0.00 H ATOM 803 N PHE A 78 -2.716 -21.224 -17.415 1.00 10.45 N ATOM 804 CA PHE A 78 -1.752 -20.175 -17.063 1.00 10.80 C ATOM 805 C PHE A 78 -0.357 -20.541 -17.562 1.00 10.49 C ATOM 806 O PHE A 78 0.005 -21.719 -17.617 1.00 11.36 O ATOM 807 CB PHE A 78 -1.642 -20.109 -15.532 1.00 12.14 C ATOM 808 CG PHE A 78 -2.734 -19.367 -14.816 1.00 12.58 C ATOM 809 CD1 PHE A 78 -3.535 -18.439 -15.425 1.00 16.42 C ATOM 810 CD2 PHE A 78 -2.836 -19.571 -13.446 1.00 16.03 C ATOM 811 CE1 PHE A 78 -4.460 -17.743 -14.664 1.00 20.56 C ATOM 812 CE2 PHE A 78 -3.741 -18.896 -12.688 1.00 17.48 C ATOM 813 CZ PHE A 78 -4.545 -17.968 -13.290 1.00 17.13 C ATOM 814 H PHE A 78 -2.763 -22.078 -16.823 1.00 0.00 H ATOM 815 N PHE A 79 0.453 -19.503 -17.794 1.00 10.35 N ATOM 816 CA PHE A 79 1.853 -19.669 -18.160 1.00 11.07 C ATOM 817 C PHE A 79 2.693 -18.628 -17.446 1.00 10.89 C ATOM 818 O PHE A 79 2.343 -17.429 -17.422 1.00 11.91 O ATOM 819 CB PHE A 79 2.054 -19.473 -19.662 1.00 11.66 C ATOM 820 CG PHE A 79 1.233 -20.413 -20.472 1.00 11.95 C ATOM 821 CD1 PHE A 79 1.681 -21.693 -20.752 1.00 12.69 C ATOM 822 CD2 PHE A 79 -0.028 -20.050 -20.878 1.00 13.28 C ATOM 823 CE1 PHE A 79 0.884 -22.593 -21.455 1.00 14.22 C ATOM 824 CE2 PHE A 79 -0.853 -20.957 -21.566 1.00 14.77 C ATOM 825 CZ PHE A 79 -0.370 -22.225 -21.855 1.00 15.28 C ATOM 826 H PHE A 79 0.069 -18.540 -17.710 1.00 0.00 H ATOM 827 N VAL A 80 3.824 -19.081 -16.898 1.00 10.89 N ATOM 828 CA VAL A 80 4.852 -18.198 -16.350 1.00 11.72 C ATOM 829 C VAL A 80 6.151 -18.685 -16.963 1.00 12.49 C ATOM 830 O VAL A 80 6.452 -19.882 -16.893 1.00 12.63 O ATOM 831 CB VAL A 80 4.910 -18.283 -14.815 1.00 13.10 C ATOM 832 CG1 VAL A 80 6.112 -17.539 -14.266 1.00 14.90 C ATOM 833 CG2 VAL A 80 3.628 -17.718 -14.227 1.00 14.72 C ATOM 834 H VAL A 80 3.980 -20.108 -16.860 1.00 0.00 H ATOM 835 N ASN A 81 6.890 -17.793 -17.609 1.00 13.58 N ATOM 836 CA ASN A 81 8.114 -18.206 -18.282 1.00 14.98 C ATOM 837 C ASN A 81 7.894 -19.457 -19.131 1.00 14.29 C ATOM 838 O ASN A 81 8.632 -20.452 -19.049 1.00 16.57 O ATOM 839 CB ASN A 81 9.246 -18.408 -17.306 1.00 17.03 C ATOM 840 CG ASN A 81 10.576 -18.366 -18.011 1.00 22.85 C ATOM 841 OD1 ASN A 81 10.643 -18.080 -19.215 1.00 23.81 O ATOM 842 ND2 ASN A 81 11.628 -18.682 -17.298 1.00 25.92 N ATOM 843 HD22 ASN A 81 11.522 -18.915 -16.290 1.00 0.00 H ATOM 844 HD21 ASN A 81 12.569 -18.700 -17.740 1.00 0.00 H ATOM 845 H ASN A 81 6.595 -16.796 -17.635 1.00 0.00 H ATOM 846 N ASN A 82 6.857 -19.381 -19.965 1.00 14.50 N ATOM 847 CA ASN A 82 6.520 -20.352 -20.992 1.00 18.19 C ATOM 848 C ASN A 82 6.001 -21.665 -20.441 1.00 16.32 C ATOM 849 O ASN A 82 5.766 -22.593 -21.225 1.00 19.47 O ATOM 850 CB ASN A 82 7.663 -20.580 -21.992 1.00 20.79 C ATOM 851 CG ASN A 82 7.964 -19.344 -22.765 1.00 26.66 C ATOM 852 OD1 ASN A 82 8.704 -18.475 -22.299 1.00 30.90 O ATOM 853 ND2 ASN A 82 7.352 -19.220 -23.930 1.00 28.61 N ATOM 854 HD22 ASN A 82 6.738 -19.983 -24.278 1.00 0.00 H ATOM 855 HD21 ASN A 82 7.485 -18.359 -24.498 1.00 0.00 H ATOM 856 H ASN A 82 6.234 -18.553 -19.872 1.00 0.00 H ATOM 857 N THR A 83 5.768 -21.756 -19.137 1.00 14.18 N ATOM 858 CA THR A 83 5.517 -23.025 -18.465 1.00 14.28 C ATOM 859 C THR A 83 4.261 -22.934 -17.624 1.00 12.26 C ATOM 860 O THR A 83 4.041 -21.942 -16.923 1.00 12.82 O ATOM 861 CB THR A 83 6.712 -23.346 -17.551 1.00 16.42 C ATOM 862 OG1 THR A 83 7.920 -23.274 -18.311 1.00 18.99 O ATOM 863 CG2 THR A 83 6.568 -24.744 -16.978 1.00 19.92 C ATOM 864 HG1 THR A 83 8.021 -22.362 -18.682 1.00 0.00 H ATOM 865 H THR A 83 5.764 -20.884 -18.570 1.00 0.00 H ATOM 866 N ILE A 84 3.433 -23.969 -17.675 1.00 11.68 N ATOM 867 CA ILE A 84 2.255 -23.999 -16.804 1.00 11.63 C ATOM 868 C ILE A 84 2.733 -24.144 -15.362 1.00 12.15 C ATOM 869 O ILE A 84 3.508 -25.051 -15.065 1.00 14.14 O ATOM 870 CB ILE A 84 1.305 -25.128 -17.179 1.00 11.69 C ATOM 871 CG1 ILE A 84 0.832 -24.951 -18.614 1.00 13.34 C ATOM 872 CG2 ILE A 84 0.128 -25.162 -16.206 1.00 12.85 C ATOM 873 CD1 ILE A 84 0.114 -26.195 -19.177 1.00 14.98 C ATOM 874 H ILE A 84 3.619 -24.755 -18.330 1.00 0.00 H ATOM 875 N PRO A 85 2.350 -23.254 -14.443 1.00 11.65 N ATOM 876 CA PRO A 85 2.840 -23.363 -13.070 1.00 12.97 C ATOM 877 C PRO A 85 2.185 -24.494 -12.301 1.00 12.44 C ATOM 878 O PRO A 85 1.033 -24.881 -12.576 1.00 12.88 O ATOM 879 CB PRO A 85 2.498 -21.986 -12.472 1.00 14.31 C ATOM 880 CG PRO A 85 1.328 -21.513 -13.277 1.00 15.55 C ATOM 881 CD PRO A 85 1.558 -22.025 -14.667 1.00 12.10 C ATOM 882 N PRO A 86 2.871 -25.040 -11.291 1.00 13.24 N ATOM 883 CA PRO A 86 2.281 -26.097 -10.463 1.00 12.98 C ATOM 884 C PRO A 86 1.132 -25.596 -9.605 1.00 11.68 C ATOM 885 O PRO A 86 1.219 -24.532 -8.987 1.00 12.38 O ATOM 886 CB PRO A 86 3.449 -26.558 -9.578 1.00 14.79 C ATOM 887 CG PRO A 86 4.644 -25.972 -10.149 1.00 19.99 C ATOM 888 CD PRO A 86 4.256 -24.734 -10.872 1.00 15.69 C ATOM 889 N THR A 87 0.057 -26.386 -9.546 1.00 11.84 N ATOM 890 CA THR A 87 -1.154 -26.022 -8.809 1.00 11.46 C ATOM 891 C THR A 87 -0.856 -25.786 -7.342 1.00 11.82 C ATOM 892 O THR A 87 -1.436 -24.884 -6.725 1.00 12.04 O ATOM 893 CB THR A 87 -2.173 -27.156 -8.969 1.00 12.26 C ATOM 894 OG1 THR A 87 -2.394 -27.330 -10.374 1.00 12.51 O ATOM 895 CG2 THR A 87 -3.484 -26.839 -8.255 1.00 13.44 C ATOM 896 HG1 THR A 87 -2.745 -26.488 -10.758 1.00 0.00 H ATOM 897 H THR A 87 0.081 -27.298 -10.045 1.00 0.00 H ATOM 898 N SER A 88 0.054 -26.577 -6.774 1.00 12.44 N ATOM 899 CA SER A 88 0.313 -26.513 -5.349 1.00 13.31 C ATOM 900 C SER A 88 1.349 -25.453 -4.969 1.00 12.90 C ATOM 901 O SER A 88 1.583 -25.259 -3.780 1.00 14.90 O ATOM 902 CB SER A 88 0.826 -27.874 -4.873 1.00 17.69 C ATOM 903 OG SER A 88 1.984 -28.260 -5.606 1.00 21.74 O ATOM 904 HG SER A 88 2.299 -29.141 -5.283 1.00 0.00 H ATOM 905 H SER A 88 0.586 -27.250 -7.362 1.00 0.00 H ATOM 906 N ALA A 89 1.998 -24.799 -5.922 1.00 12.45 N ATOM 907 CA ALA A 89 2.950 -23.760 -5.545 1.00 13.47 C ATOM 908 C ALA A 89 2.204 -22.573 -4.948 1.00 12.21 C ATOM 909 O ALA A 89 1.087 -22.256 -5.354 1.00 12.71 O ATOM 910 CB ALA A 89 3.664 -23.278 -6.799 1.00 15.44 C ATOM 911 H ALA A 89 1.831 -25.023 -6.924 1.00 0.00 H ATOM 912 N THR A 90 2.837 -21.882 -3.998 1.00 12.35 N ATOM 913 CA THR A 90 2.288 -20.610 -3.543 1.00 12.42 C ATOM 914 C THR A 90 2.634 -19.508 -4.528 1.00 11.56 C ATOM 915 O THR A 90 3.648 -19.554 -5.234 1.00 11.95 O ATOM 916 CB THR A 90 2.778 -20.199 -2.147 1.00 13.64 C ATOM 917 OG1 THR A 90 4.183 -19.927 -2.216 1.00 14.34 O ATOM 918 CG2 THR A 90 2.508 -21.261 -1.104 1.00 16.89 C ATOM 919 HG1 THR A 90 4.661 -20.741 -2.515 1.00 0.00 H ATOM 920 H THR A 90 3.718 -22.249 -3.584 1.00 0.00 H ATOM 921 N MET A 91 1.777 -18.484 -4.541 1.00 11.68 N ATOM 922 CA MET A 91 2.069 -17.309 -5.343 1.00 12.06 C ATOM 923 C MET A 91 3.326 -16.592 -4.879 1.00 11.37 C ATOM 924 O MET A 91 4.051 -16.027 -5.708 1.00 11.65 O ATOM 925 CB MET A 91 0.846 -16.377 -5.359 1.00 12.56 C ATOM 926 CG MET A 91 -0.351 -16.981 -6.130 1.00 12.47 C ATOM 927 SD MET A 91 -0.066 -17.300 -7.861 1.00 12.41 S ATOM 928 CE MET A 91 0.068 -15.618 -8.497 1.00 14.73 C ATOM 929 H MET A 91 0.903 -18.528 -3.979 1.00 0.00 H ATOM 930 N GLY A 92 3.611 -16.649 -3.580 1.00 12.06 N ATOM 931 CA GLY A 92 4.873 -16.116 -3.095 1.00 12.89 C ATOM 932 C GLY A 92 6.065 -16.823 -3.705 1.00 12.06 C ATOM 933 O GLY A 92 7.024 -16.173 -4.139 1.00 12.26 O ATOM 934 H GLY A 92 2.933 -17.073 -2.915 1.00 0.00 H ATOM 935 N GLN A 93 6.045 -18.169 -3.704 1.00 12.18 N ATOM 936 CA GLN A 93 7.146 -18.908 -4.321 1.00 13.32 C ATOM 937 C GLN A 93 7.234 -18.600 -5.804 1.00 12.39 C ATOM 938 O GLN A 93 8.328 -18.377 -6.346 1.00 13.05 O ATOM 939 CB GLN A 93 6.966 -20.410 -4.143 1.00 15.82 C ATOM 940 CG GLN A 93 8.106 -21.133 -4.852 1.00 19.56 C ATOM 941 CD GLN A 93 8.099 -22.648 -4.828 1.00 28.56 C ATOM 942 OE1 GLN A 93 7.185 -23.289 -4.324 1.00 30.99 O ATOM 943 NE2 GLN A 93 9.153 -23.229 -5.391 1.00 30.05 N ATOM 944 HE22 GLN A 93 9.907 -22.646 -5.808 1.00 0.00 H ATOM 945 HE21 GLN A 93 9.224 -24.266 -5.415 1.00 0.00 H ATOM 946 H GLN A 93 5.252 -18.680 -3.267 1.00 0.00 H ATOM 947 N LEU A 94 6.093 -18.628 -6.496 1.00 11.61 N ATOM 948 CA LEU A 94 6.105 -18.377 -7.925 1.00 12.30 C ATOM 949 C LEU A 94 6.673 -16.999 -8.223 1.00 12.06 C ATOM 950 O LEU A 94 7.483 -16.821 -9.154 1.00 12.53 O ATOM 951 CB LEU A 94 4.668 -18.508 -8.433 1.00 13.42 C ATOM 952 CG LEU A 94 4.496 -18.550 -9.944 1.00 13.96 C ATOM 953 CD1 LEU A 94 5.091 -19.817 -10.558 1.00 16.25 C ATOM 954 CD2 LEU A 94 3.029 -18.485 -10.236 1.00 14.71 C ATOM 955 H LEU A 94 5.195 -18.830 -6.011 1.00 0.00 H ATOM 956 N TYR A 95 6.283 -16.008 -7.410 1.00 11.44 N ATOM 957 CA TYR A 95 6.800 -14.651 -7.544 1.00 12.00 C ATOM 958 C TYR A 95 8.309 -14.598 -7.316 1.00 11.95 C ATOM 959 O TYR A 95 9.049 -14.001 -8.108 1.00 12.45 O ATOM 960 CB TYR A 95 6.087 -13.758 -6.517 1.00 12.39 C ATOM 961 CG TYR A 95 6.649 -12.352 -6.453 1.00 12.26 C ATOM 962 CD1 TYR A 95 6.166 -11.346 -7.289 1.00 12.93 C ATOM 963 CD2 TYR A 95 7.623 -12.021 -5.522 1.00 13.28 C ATOM 964 CE1 TYR A 95 6.680 -10.056 -7.242 1.00 13.16 C ATOM 965 CE2 TYR A 95 8.133 -10.717 -5.455 1.00 13.35 C ATOM 966 CZ TYR A 95 7.691 -9.760 -6.328 1.00 12.85 C ATOM 967 OH TYR A 95 8.192 -8.488 -6.257 1.00 14.14 O ATOM 968 HH TYR A 95 7.768 -7.928 -6.955 1.00 0.00 H ATOM 969 H TYR A 95 5.591 -16.213 -6.661 1.00 0.00 H ATOM 970 N GLU A 96 8.785 -15.171 -6.214 1.00 12.37 N ATOM 971 CA GLU A 96 10.218 -15.067 -5.942 1.00 13.05 C ATOM 972 C GLU A 96 11.016 -15.779 -7.028 1.00 13.01 C ATOM 973 O GLU A 96 12.105 -15.323 -7.408 1.00 14.53 O ATOM 974 CB GLU A 96 10.515 -15.676 -4.587 1.00 15.29 C ATOM 975 CG GLU A 96 10.096 -14.852 -3.408 1.00 15.28 C ATOM 976 CD GLU A 96 10.655 -13.440 -3.339 1.00 15.25 C ATOM 977 OE1 GLU A 96 10.003 -12.563 -2.742 1.00 16.57 O ATOM 978 OE2 GLU A 96 11.769 -13.188 -3.845 1.00 17.54 O ATOM 979 H GLU A 96 8.154 -15.680 -5.562 1.00 0.00 H ATOM 980 N ASP A 97 10.494 -16.899 -7.540 1.00 12.87 N ATOM 981 CA ASP A 97 11.230 -17.673 -8.529 1.00 13.41 C ATOM 982 C ASP A 97 11.234 -17.001 -9.891 1.00 13.34 C ATOM 983 O ASP A 97 12.153 -17.251 -10.683 1.00 16.42 O ATOM 984 CB ASP A 97 10.639 -19.069 -8.687 1.00 14.23 C ATOM 985 CG ASP A 97 10.948 -20.006 -7.536 1.00 15.66 C ATOM 986 OD1 ASP A 97 11.764 -19.697 -6.648 1.00 18.25 O ATOM 987 OD2 ASP A 97 10.359 -21.110 -7.534 1.00 18.02 O ATOM 988 H ASP A 97 9.555 -17.219 -7.229 1.00 0.00 H ATOM 989 N ASN A 98 10.210 -16.180 -10.208 1.00 12.05 N ATOM 990 CA ASN A 98 9.991 -15.751 -11.575 1.00 13.10 C ATOM 991 C ASN A 98 9.796 -14.252 -11.784 1.00 12.66 C ATOM 992 O ASN A 98 9.697 -13.825 -12.934 1.00 13.84 O ATOM 993 CB ASN A 98 8.763 -16.446 -12.178 1.00 13.00 C ATOM 994 CG ASN A 98 8.939 -17.945 -12.282 1.00 13.18 C ATOM 995 OD1 ASN A 98 9.545 -18.439 -13.235 1.00 17.03 O ATOM 996 ND2 ASN A 98 8.420 -18.663 -11.316 1.00 13.80 N ATOM 997 HD22 ASN A 98 7.918 -18.197 -10.534 1.00 0.00 H ATOM 998 HD21 ASN A 98 8.510 -19.699 -11.332 1.00 0.00 H ATOM 999 H ASN A 98 9.568 -15.850 -9.459 1.00 0.00 H ATOM 1000 N HIS A 99 9.720 -13.441 -10.740 1.00 12.69 N ATOM 1001 CA HIS A 99 9.480 -12.024 -10.992 1.00 12.77 C ATOM 1002 C HIS A 99 10.609 -11.432 -11.824 1.00 13.92 C ATOM 1003 O HIS A 99 11.768 -11.861 -11.741 1.00 15.47 O ATOM 1004 CB HIS A 99 9.249 -11.224 -9.710 1.00 14.24 C ATOM 1005 CG HIS A 99 10.467 -10.942 -8.888 1.00 15.15 C ATOM 1006 ND1 HIS A 99 11.428 -10.013 -9.245 1.00 17.95 N ATOM 1007 CD2 HIS A 99 10.804 -11.382 -7.655 1.00 19.05 C ATOM 1008 CE1 HIS A 99 12.333 -9.937 -8.284 1.00 19.05 C ATOM 1009 NE2 HIS A 99 11.966 -10.736 -7.298 1.00 20.88 N ATOM 1010 H HIS A 99 9.828 -13.803 -9.771 1.00 0.00 H ATOM 1011 N GLU A 100 10.255 -10.453 -12.645 1.00 15.63 N ATOM 1012 CA GLU A 100 11.249 -9.771 -13.467 1.00 17.00 C ATOM 1013 C GLU A 100 12.007 -8.708 -12.679 1.00 17.18 C ATOM 1014 O GLU A 100 11.778 -8.499 -11.487 1.00 15.58 O ATOM 1015 CB GLU A 100 10.598 -9.215 -14.720 1.00 20.56 C ATOM 1016 CG GLU A 100 10.091 -10.357 -15.559 1.00 21.78 C ATOM 1017 CD GLU A 100 9.810 -9.999 -16.975 1.00 23.71 C ATOM 1018 OE1 GLU A 100 10.197 -8.892 -17.390 1.00 29.30 O ATOM 1019 OE2 GLU A 100 9.209 -10.839 -17.680 1.00 26.25 O ATOM 1020 H GLU A 100 9.257 -10.168 -12.704 1.00 0.00 H ATOM 1021 N GLU A 101 12.921 -8.005 -13.360 1.00 17.39 N ATOM 1022 CA GLU A 101 13.740 -7.025 -12.657 1.00 19.04 C ATOM 1023 C GLU A 101 12.939 -5.829 -12.159 1.00 17.93 C ATOM 1024 O GLU A 101 13.451 -5.060 -11.339 1.00 18.79 O ATOM 1025 CB GLU A 101 14.883 -6.513 -13.534 1.00 23.07 C ATOM 1026 CG GLU A 101 15.814 -7.585 -14.055 1.00 25.41 C ATOM 1027 CD GLU A 101 15.398 -8.085 -15.426 1.00 26.35 C ATOM 1028 OE1 GLU A 101 16.309 -8.363 -16.249 1.00 26.61 O ATOM 1029 OE2 GLU A 101 14.168 -8.201 -15.684 1.00 27.99 O ATOM 1030 H GLU A 101 13.045 -8.157 -14.381 1.00 0.00 H ATOM 1031 N ASP A 102 11.695 -5.661 -12.615 1.00 16.55 N ATOM 1032 CA ASP A 102 10.805 -4.614 -12.136 1.00 16.21 C ATOM 1033 C ASP A 102 9.992 -5.035 -10.907 1.00 15.20 C ATOM 1034 O ASP A 102 9.111 -4.281 -10.483 1.00 15.50 O ATOM 1035 CB ASP A 102 9.867 -4.125 -13.238 1.00 17.58 C ATOM 1036 CG ASP A 102 8.974 -5.218 -13.786 1.00 16.34 C ATOM 1037 OD1 ASP A 102 8.978 -6.348 -13.250 1.00 16.89 O ATOM 1038 OD2 ASP A 102 8.254 -4.912 -14.737 1.00 20.48 O ATOM 1039 H ASP A 102 11.345 -6.310 -13.348 1.00 0.00 H ATOM 1040 N TYR A 103 10.267 -6.208 -10.330 1.00 15.15 N ATOM 1041 CA TYR A 103 9.570 -6.688 -9.140 1.00 14.79 C ATOM 1042 C TYR A 103 8.099 -7.021 -9.372 1.00 13.55 C ATOM 1043 O TYR A 103 7.355 -7.181 -8.409 1.00 13.73 O ATOM 1044 CB TYR A 103 9.784 -5.779 -7.914 1.00 16.58 C ATOM 1045 CG TYR A 103 11.144 -6.035 -7.299 1.00 19.30 C ATOM 1046 CD1 TYR A 103 12.290 -5.449 -7.803 1.00 25.97 C ATOM 1047 CD2 TYR A 103 11.278 -6.955 -6.266 1.00 23.31 C ATOM 1048 CE1 TYR A 103 13.540 -5.739 -7.244 1.00 27.52 C ATOM 1049 CE2 TYR A 103 12.478 -7.235 -5.703 1.00 25.59 C ATOM 1050 CZ TYR A 103 13.607 -6.641 -6.194 1.00 25.44 C ATOM 1051 OH TYR A 103 14.802 -6.976 -5.591 1.00 32.32 O ATOM 1052 HH TYR A 103 15.541 -6.486 -6.031 1.00 0.00 H ATOM 1053 H TYR A 103 11.010 -6.805 -10.746 1.00 0.00 H ATOM 1054 N PHE A 104 7.696 -7.237 -10.627 1.00 13.10 N ATOM 1055 CA PHE A 104 6.394 -7.806 -10.936 1.00 12.62 C ATOM 1056 C PHE A 104 6.560 -9.238 -11.421 1.00 12.05 C ATOM 1057 O PHE A 104 7.527 -9.577 -12.108 1.00 12.65 O ATOM 1058 CB PHE A 104 5.694 -7.018 -12.048 1.00 13.59 C ATOM 1059 CG PHE A 104 5.042 -5.747 -11.575 1.00 13.82 C ATOM 1060 CD1 PHE A 104 5.770 -4.582 -11.410 1.00 16.27 C ATOM 1061 CD2 PHE A 104 3.681 -5.719 -11.258 1.00 14.96 C ATOM 1062 CE1 PHE A 104 5.148 -3.403 -10.975 1.00 17.46 C ATOM 1063 CE2 PHE A 104 3.060 -4.537 -10.825 1.00 16.18 C ATOM 1064 CZ PHE A 104 3.805 -3.388 -10.688 1.00 17.11 C ATOM 1065 H PHE A 104 8.335 -6.990 -11.410 1.00 0.00 H ATOM 1066 N LEU A 105 5.575 -10.071 -11.075 1.00 11.49 N ATOM 1067 CA LEU A 105 5.382 -11.379 -11.677 1.00 10.97 C ATOM 1068 C LEU A 105 4.411 -11.233 -12.843 1.00 10.58 C ATOM 1069 O LEU A 105 3.378 -10.575 -12.706 1.00 11.83 O ATOM 1070 CB LEU A 105 4.810 -12.352 -10.652 1.00 11.24 C ATOM 1071 CG LEU A 105 4.395 -13.734 -11.176 1.00 11.50 C ATOM 1072 CD1 LEU A 105 5.583 -14.530 -11.679 1.00 12.79 C ATOM 1073 CD2 LEU A 105 3.651 -14.493 -10.096 1.00 12.97 C ATOM 1074 H LEU A 105 4.911 -9.767 -10.335 1.00 0.00 H ATOM 1075 N TYR A 106 4.718 -11.863 -13.976 1.00 11.14 N ATOM 1076 CA TYR A 106 3.891 -11.808 -15.174 1.00 11.46 C ATOM 1077 C TYR A 106 3.313 -13.184 -15.452 1.00 10.65 C ATOM 1078 O TYR A 106 4.070 -14.156 -15.597 1.00 11.87 O ATOM 1079 CB TYR A 106 4.707 -11.310 -16.371 1.00 12.62 C ATOM 1080 CG TYR A 106 5.109 -9.863 -16.250 1.00 12.98 C ATOM 1081 CD1 TYR A 106 6.229 -9.471 -15.504 1.00 13.31 C ATOM 1082 CD2 TYR A 106 4.363 -8.869 -16.882 1.00 12.84 C ATOM 1083 CE1 TYR A 106 6.571 -8.108 -15.382 1.00 15.37 C ATOM 1084 CE2 TYR A 106 4.687 -7.506 -16.759 1.00 14.80 C ATOM 1085 CZ TYR A 106 5.797 -7.144 -16.002 1.00 14.33 C ATOM 1086 OH TYR A 106 6.102 -5.818 -15.909 1.00 16.92 O ATOM 1087 HH TYR A 106 6.908 -5.705 -15.345 1.00 0.00 H ATOM 1088 H TYR A 106 5.594 -12.423 -14.007 1.00 0.00 H ATOM 1089 N VAL A 107 1.986 -13.278 -15.510 1.00 11.11 N ATOM 1090 CA VAL A 107 1.259 -14.513 -15.771 1.00 11.33 C ATOM 1091 C VAL A 107 0.425 -14.296 -17.026 1.00 10.81 C ATOM 1092 O VAL A 107 -0.361 -13.337 -17.101 1.00 12.03 O ATOM 1093 CB VAL A 107 0.334 -14.856 -14.589 1.00 11.36 C ATOM 1094 CG1 VAL A 107 -0.474 -16.135 -14.878 1.00 13.92 C ATOM 1095 CG2 VAL A 107 1.119 -15.001 -13.309 1.00 13.09 C ATOM 1096 H VAL A 107 1.431 -12.411 -15.359 1.00 0.00 H ATOM 1097 N ALA A 108 0.574 -15.188 -18.001 1.00 11.06 N ATOM 1098 CA ALA A 108 -0.273 -15.161 -19.191 1.00 12.47 C ATOM 1099 C ALA A 108 -1.341 -16.244 -19.097 1.00 11.65 C ATOM 1100 O ALA A 108 -1.173 -17.238 -18.387 1.00 12.08 O ATOM 1101 CB ALA A 108 0.565 -15.400 -20.446 1.00 13.19 C ATOM 1102 H ALA A 108 1.308 -15.919 -17.915 1.00 0.00 H ATOM 1103 N TYR A 109 -2.458 -16.051 -19.814 1.00 12.75 N ATOM 1104 CA TYR A 109 -3.551 -17.018 -19.836 1.00 12.78 C ATOM 1105 C TYR A 109 -3.945 -17.313 -21.280 1.00 13.44 C ATOM 1106 O TYR A 109 -3.917 -16.406 -22.118 1.00 13.56 O ATOM 1107 CB TYR A 109 -4.774 -16.544 -18.969 1.00 11.25 C ATOM 1108 CG TYR A 109 -5.337 -15.133 -19.205 1.00 11.38 C ATOM 1109 CD1 TYR A 109 -6.481 -14.932 -19.983 1.00 10.34 C ATOM 1110 CD2 TYR A 109 -4.780 -14.018 -18.572 1.00 13.29 C ATOM 1111 CE1 TYR A 109 -7.002 -13.657 -20.171 1.00 11.51 C ATOM 1112 CE2 TYR A 109 -5.321 -12.732 -18.749 1.00 11.10 C ATOM 1113 CZ TYR A 109 -6.417 -12.563 -19.557 1.00 11.32 C ATOM 1114 OH TYR A 109 -6.955 -11.306 -19.737 1.00 12.01 O ATOM 1115 HH TYR A 109 -6.271 -10.709 -20.133 1.00 0.00 H ATOM 1116 H TYR A 109 -2.549 -15.180 -20.375 1.00 0.00 H ATOM 1117 N SER A 110 -4.370 -18.556 -21.549 1.00 13.08 N ATOM 1118 CA SER A 110 -4.822 -18.930 -22.886 1.00 14.02 C ATOM 1119 C SER A 110 -5.855 -20.043 -22.781 1.00 12.26 C ATOM 1120 O SER A 110 -5.930 -20.742 -21.780 1.00 13.09 O ATOM 1121 CB SER A 110 -3.649 -19.464 -23.726 1.00 14.73 C ATOM 1122 OG SER A 110 -4.097 -19.687 -25.057 1.00 16.12 O ATOM 1123 HG SER A 110 -3.346 -20.031 -25.603 1.00 0.00 H ATOM 1124 H SER A 110 -4.378 -19.268 -20.791 1.00 0.00 H ATOM 1125 N ASP A 111 -6.622 -20.219 -23.854 1.00 14.02 N ATOM 1126 CA ASP A 111 -7.424 -21.422 -24.000 1.00 13.57 C ATOM 1127 C ASP A 111 -6.590 -22.621 -24.411 1.00 13.07 C ATOM 1128 O ASP A 111 -7.043 -23.754 -24.256 1.00 13.88 O ATOM 1129 CB ASP A 111 -8.579 -21.179 -24.987 1.00 16.56 C ATOM 1130 CG ASP A 111 -8.106 -20.722 -26.341 1.00 20.66 C ATOM 1131 OD1 ASP A 111 -7.236 -19.829 -26.433 1.00 20.17 O ATOM 1132 OD2 ASP A 111 -8.615 -21.285 -27.335 1.00 26.73 O ATOM 1133 H ASP A 111 -6.648 -19.489 -24.595 1.00 0.00 H ATOM 1134 N GLU A 112 -5.396 -22.397 -24.940 1.00 13.87 N ATOM 1135 CA GLU A 112 -4.524 -23.470 -25.376 1.00 13.80 C ATOM 1136 C GLU A 112 -3.518 -23.821 -24.293 1.00 13.95 C ATOM 1137 O GLU A 112 -3.162 -22.999 -23.436 1.00 14.07 O ATOM 1138 CB GLU A 112 -3.800 -23.086 -26.665 1.00 16.04 C ATOM 1139 CG GLU A 112 -4.599 -23.436 -27.908 1.00 18.11 C ATOM 1140 CD GLU A 112 -4.822 -24.947 -28.087 1.00 20.82 C ATOM 1141 OE1 GLU A 112 -5.603 -25.303 -28.985 1.00 25.64 O ATOM 1142 OE2 GLU A 112 -4.253 -25.775 -27.318 1.00 18.31 O ATOM 1143 H GLU A 112 -5.072 -21.414 -25.046 1.00 0.00 H ATOM 1144 N SER A 113 -3.046 -25.067 -24.368 1.00 13.82 N ATOM 1145 CA SER A 113 -2.131 -25.643 -23.392 1.00 14.40 C ATOM 1146 C SER A 113 -0.667 -25.302 -23.652 1.00 13.79 C ATOM 1147 O SER A 113 0.181 -25.681 -22.841 1.00 15.32 O ATOM 1148 CB SER A 113 -2.317 -27.155 -23.339 1.00 15.08 C ATOM 1149 OG SER A 113 -2.018 -27.669 -24.612 1.00 15.85 O ATOM 1150 HG SER A 113 -2.630 -27.270 -25.280 1.00 0.00 H ATOM 1151 H SER A 113 -3.348 -25.660 -25.168 1.00 0.00 H ATOM 1152 N VAL A 114 -0.368 -24.600 -24.751 1.00 14.73 N ATOM 1153 CA VAL A 114 0.976 -24.164 -25.103 1.00 15.49 C ATOM 1154 C VAL A 114 0.909 -22.659 -25.349 1.00 16.18 C ATOM 1155 O VAL A 114 0.041 -22.183 -26.088 1.00 16.66 O ATOM 1156 CB VAL A 114 1.508 -24.906 -26.345 1.00 19.11 C ATOM 1157 CG1 VAL A 114 2.821 -24.313 -26.792 1.00 20.19 C ATOM 1158 CG2 VAL A 114 1.669 -26.383 -26.033 1.00 19.02 C ATOM 1159 H VAL A 114 -1.145 -24.350 -25.395 1.00 0.00 H ATOM 1160 N TYR A 115 1.801 -21.909 -24.705 1.00 16.12 N ATOM 1161 CA TYR A 115 1.742 -20.450 -24.784 1.00 16.00 C ATOM 1162 C TYR A 115 1.876 -19.979 -26.221 1.00 17.77 C ATOM 1163 O TYR A 115 2.813 -20.369 -26.929 1.00 20.84 O ATOM 1164 CB TYR A 115 2.890 -19.864 -23.986 1.00 16.71 C ATOM 1165 CG TYR A 115 2.993 -18.364 -24.107 1.00 17.26 C ATOM 1166 CD1 TYR A 115 2.201 -17.516 -23.334 1.00 17.33 C ATOM 1167 CD2 TYR A 115 3.931 -17.780 -24.960 1.00 18.67 C ATOM 1168 CE1 TYR A 115 2.319 -16.133 -23.446 1.00 18.38 C ATOM 1169 CE2 TYR A 115 4.038 -16.410 -25.086 1.00 20.28 C ATOM 1170 CZ TYR A 115 3.253 -15.595 -24.311 1.00 19.70 C ATOM 1171 OH TYR A 115 3.406 -14.227 -24.417 1.00 22.18 O ATOM 1172 HH TYR A 115 2.776 -13.777 -23.801 1.00 0.00 H ATOM 1173 H TYR A 115 2.546 -22.365 -24.141 1.00 0.00 H ATOM 1174 N GLY A 116 0.973 -19.097 -26.635 1.00 19.86 N ATOM 1175 CA GLY A 116 1.084 -18.484 -27.936 1.00 25.29 C ATOM 1176 C GLY A 116 0.460 -19.267 -29.065 1.00 28.03 C ATOM 1177 O GLY A 116 0.441 -18.767 -30.197 1.00 33.33 O ATOM 1178 H GLY A 116 0.177 -18.846 -26.014 1.00 0.00 H ATOM 1179 N LYS A 117 -0.034 -20.480 -28.812 1.00 27.25 N ATOM 1180 CA LYS A 117 -0.768 -21.217 -29.833 1.00 29.08 C ATOM 1181 C LYS A 117 -2.241 -20.795 -29.836 1.00 26.58 C ATOM 1182 O LYS A 117 -2.785 -20.314 -28.820 1.00 23.81 O ATOM 1183 CB LYS A 117 -0.640 -22.731 -29.624 1.00 29.75 C ATOM 1184 OXT LYS A 117 -2.899 -20.912 -30.879 1.00 29.77 O ATOM 1185 H LYS A 117 0.106 -20.906 -27.874 1.00 0.00 H TER 1186 LYS A 117 HETATM 1187 O HOH 1 -10.963 -9.430 -6.746 1.00 33.90 O HETATM 1188 O HOH 2 5.296 -23.064 -2.927 1.00 24.95 O HETATM 1189 O HOH 3 11.525 -4.829 -18.749 1.00 32.06 O HETATM 1190 O HOH 4 -5.891 -9.213 -18.677 1.00 17.79 O HETATM 1191 O HOH 5 4.006 -27.525 -15.651 1.00 18.50 O HETATM 1192 O HOH 6 0.351 -11.177 -23.537 1.00 29.57 O HETATM 1193 O HOH 7 3.841 -0.481 -12.859 1.00 39.30 O HETATM 1194 O HOH 8 -14.035 -25.558 -18.186 1.00 17.13 O HETATM 1195 O HOH 9 12.963 -17.777 -5.242 1.00 17.45 O HETATM 1196 O HOH 10 2.028 -12.869 -22.580 1.00 28.36 O HETATM 1197 O HOH 11 -4.369 -25.315 -4.629 1.00 38.24 O HETATM 1198 O HOH 12 -5.271 -9.459 -21.344 1.00 25.54 O HETATM 1199 O HOH 13 -2.179 -18.720 -26.741 1.00 21.93 O HETATM 1200 O HOH 14 7.618 -3.129 5.219 1.00 29.92 O HETATM 1201 O HOH 15 14.054 -14.629 -4.026 1.00 16.57 O HETATM 1202 O HOH 16 7.977 -21.309 -8.820 1.00 29.59 O HETATM 1203 O HOH 17 10.336 -6.338 -16.474 1.00 38.29 O HETATM 1204 O HOH 18 15.914 -5.340 -10.227 1.00 36.01 O HETATM 1205 O HOH 19 2.801 -26.000 -22.189 1.00 26.18 O HETATM 1206 O HOH 20 -0.336 -21.897 1.214 1.00 25.47 O HETATM 1207 O HOH 21 7.530 -9.621 -22.033 1.00 31.91 O HETATM 1208 O HOH 22 12.259 -10.536 -4.579 1.00 28.00 O HETATM 1209 O HOH 23 -11.662 -2.172 -16.281 1.00 38.05 O HETATM 1210 O HOH 24 12.168 -21.332 -4.479 1.00 25.38 O HETATM 1211 O HOH 25 -5.397 -24.782 -16.207 1.00 25.48 O HETATM 1212 O HOH 26 -15.999 -17.486 -15.543 1.00 24.73 O HETATM 1213 O HOH 27 -5.460 -7.863 -25.470 1.00 34.16 O HETATM 1214 O HOH 28 0.085 -26.144 -1.621 1.00 23.93 O HETATM 1215 O HOH 29 8.337 -13.347 -16.876 1.00 24.01 O HETATM 1216 O HOH 30 13.769 -19.485 -10.360 1.00 39.50 O HETATM 1217 O HOH 31 -1.604 -6.448 3.147 1.00 23.36 O HETATM 1218 O HOH 32 -1.597 -26.589 -27.218 1.00 26.15 O HETATM 1219 O HOH 33 -15.610 -13.514 -6.050 1.00 38.45 O HETATM 1220 O HOH 34 10.209 2.231 -4.898 1.00 38.71 O HETATM 1221 O HOH 35 -11.589 -9.014 -24.505 1.00 33.73 O HETATM 1222 O HOH 36 6.070 -15.070 -17.325 1.00 16.04 O HETATM 1223 O HOH 37 3.987 -23.335 -23.258 1.00 21.76 O HETATM 1224 O HOH 38 7.469 -12.819 -14.312 1.00 14.63 O HETATM 1225 O HOH 39 6.359 1.515 0.155 1.00 26.98 O HETATM 1226 O HOH 40 -13.425 -11.216 -19.051 1.00 22.32 O HETATM 1227 O HOH 41 -11.560 -20.857 -23.629 1.00 23.00 O HETATM 1228 O HOH 42 -11.145 -22.516 -27.068 1.00 42.00 O HETATM 1229 O HOH 43 4.494 6.044 -17.289 1.00 42.34 O HETATM 1230 O HOH 44 13.293 2.604 -10.797 1.00 37.53 O HETATM 1231 O HOH 45 -15.411 -26.608 -24.464 1.00 25.58 O HETATM 1232 O HOH 46 3.772 -25.051 -1.980 1.00 32.27 O HETATM 1233 O HOH 47 -0.339 -27.370 -12.458 1.00 13.89 O HETATM 1234 O HOH 48 3.305 -6.399 -2.609 1.00 13.77 O HETATM 1235 O HOH 49 -13.471 -10.206 -16.460 1.00 22.37 O HETATM 1236 O HOH 50 1.019 4.935 -19.384 1.00 48.53 O HETATM 1237 O HOH 51 6.408 4.307 -10.059 1.00 32.45 O HETATM 1238 O HOH 52 -1.468 -23.681 -13.391 1.00 13.11 O HETATM 1239 O HOH 53 4.064 -26.081 -19.550 1.00 20.09 O HETATM 1240 O HOH 54 -9.617 -25.298 -18.243 1.00 13.83 O HETATM 1241 O HOH 55 -3.049 -23.530 -15.661 1.00 13.73 O HETATM 1242 O HOH 56 8.923 -21.539 -11.434 1.00 29.40 O HETATM 1243 O HOH 57 -3.285 -24.786 -11.522 1.00 13.71 O HETATM 1244 O HOH 58 -8.277 -0.739 -10.662 1.00 30.93 O HETATM 1245 O HOH 59 -3.329 -5.983 0.995 1.00 20.73 O HETATM 1246 O HOH 60 12.961 -13.845 -9.916 1.00 31.32 O HETATM 1247 O HOH 61 -9.274 -26.205 -14.958 1.00 15.71 O HETATM 1248 O HOH 62 -11.858 -24.398 -16.780 1.00 14.15 O HETATM 1249 O HOH 63 5.591 -21.797 -14.409 1.00 21.85 O HETATM 1250 O HOH 64 -12.103 -23.498 -24.734 1.00 24.82 O HETATM 1251 O HOH 65 8.232 -20.853 -14.342 1.00 27.40 O HETATM 1252 O HOH 66 -0.046 -14.073 2.688 1.00 26.07 O HETATM 1253 O HOH 67 -7.131 -26.292 -17.594 1.00 18.44 O HETATM 1254 O HOH 68 -7.748 -8.263 -27.252 1.00 38.15 O HETATM 1255 O HOH 69 6.411 -21.249 -0.561 1.00 39.10 O HETATM 1256 O HOH 70 13.713 -15.463 -12.650 1.00 35.49 O HETATM 1257 O HOH 71 7.724 1.477 -22.107 1.00 48.69 O HETATM 1258 O HOH 72 6.046 4.204 -7.427 1.00 44.42 O HETATM 1259 O HOH 73 -12.299 -4.515 -9.570 1.00 34.52 O HETATM 1260 O HOH 74 -13.276 -9.723 -5.491 1.00 41.82 O HETATM 1261 O HOH 75 11.849 -21.247 -11.465 1.00 39.10 O HETATM 1262 O HOH 76 -14.792 -12.673 -9.005 1.00 34.04 O HETATM 1263 O HOH 77 18.077 -4.896 -12.199 1.00 44.52 O HETATM 1264 O HOH 78 4.445 -28.349 -18.196 1.00 23.39 O HETATM 1265 O HOH 79 -2.280 -27.456 -2.604 1.00 41.74 O HETATM 1266 O HOH 80 -0.057 -24.413 0.498 1.00 30.67 O HETATM 1267 O HOH 81 5.325 -29.268 -11.711 1.00 25.13 O HETATM 1268 O HOH 82 -10.069 -3.008 -9.030 1.00 31.56 O HETATM 1269 O HOH 83 -5.661 -5.621 2.322 1.00 24.95 O HETATM 1270 O HOH 84 -10.703 -6.375 -5.393 1.00 35.93 O HETATM 1271 O HOH 85 -6.015 -2.959 -11.143 1.00 22.02 O HETATM 1272 O HOH 86 -10.834 -14.256 -2.112 1.00 17.48 O HETATM 1273 O HOH 87 -10.764 -12.521 -4.234 1.00 20.18 O HETATM 1274 O HOH 88 -8.743 -3.913 -4.867 1.00 34.26 O HETATM 1275 N ALA A 89 -1.549 1.321 -3.661 1.00 0.24 N HETATM 1276 CA ALA A 89 -2.413 0.197 -4.002 1.00 0.06 C HETATM 1277 C ALA A 89 -3.602 0.627 -4.834 1.00 0.23 C HETATM 1278 O ALA A 89 -4.341 -0.220 -5.314 1.00 -0.39 O HETATM 1279 N ALA A 89 -3.788 1.943 -4.984 1.00 -0.26 N HETATM 1280 CA ALA A 89 -5.000 2.461 -5.610 1.00 0.13 C HETATM 1281 C ALA A 89 -5.214 1.898 -7.007 1.00 0.20 C HETATM 1282 O ALA A 89 -6.359 1.688 -7.425 1.00 -0.39 O HETATM 1283 N ALA A 89 -4.140 1.654 -7.746 1.00 -0.26 N HETATM 1284 CA ALA A 89 -4.282 1.152 -9.099 1.00 0.15 C HETATM 1285 C ALA A 89 -4.252 -0.366 -9.162 1.00 0.21 C HETATM 1286 O ALA A 89 -4.418 -0.919 -10.252 1.00 -0.39 O HETATM 1287 N ALA A 89 -4.007 -1.047 -8.035 1.00 -0.26 N HETATM 1288 CA ALA A 89 -3.986 -2.510 -7.999 1.00 0.14 C HETATM 1289 C ALA A 89 -5.366 -3.058 -7.658 1.00 0.21 C HETATM 1290 O ALA A 89 -6.147 -2.420 -6.945 1.00 -0.39 O HETATM 1291 N ALA A 89 -5.637 -4.280 -8.106 1.00 -0.26 N HETATM 1292 CA ALA A 89 -6.857 -4.997 -7.757 1.00 0.16 C HETATM 1293 C ALA A 89 -6.492 -6.130 -6.806 1.00 0.21 C HETATM 1294 O ALA A 89 -5.745 -7.043 -7.187 1.00 -0.39 O HETATM 1295 N ALA A 89 -7.012 -6.076 -5.579 1.00 -0.26 N HETATM 1296 CA ALA A 89 -6.784 -7.164 -4.642 1.00 0.13 C HETATM 1297 C ALA A 89 -7.579 -8.378 -5.071 1.00 0.20 C HETATM 1298 O ALA A 89 -8.747 -8.271 -5.453 1.00 -0.39 O HETATM 1299 N ALA A 89 -6.958 -9.541 -5.003 1.00 -0.26 N HETATM 1300 CA ALA A 89 -7.646 -10.788 -5.308 1.00 0.13 C HETATM 1301 C ALA A 89 -7.095 -11.867 -4.402 1.00 0.20 C HETATM 1302 O ALA A 89 -5.893 -11.902 -4.133 1.00 -0.39 O HETATM 1303 N ALA A 89 -7.968 -12.752 -3.920 1.00 -0.27 N HETATM 1304 CA ALA A 89 -7.515 -13.898 -3.157 1.00 0.12 C HETATM 1305 C ALA A 89 -7.518 -13.759 -1.649 1.00 0.20 C HETATM 1306 O ALA A 89 -7.237 -14.740 -0.963 1.00 -0.39 O HETATM 1307 N ALA A 89 -7.859 -12.602 -1.102 1.00 -0.27 N HETATM 1308 CA ALA A 89 -7.865 -12.455 0.355 1.00 0.10 C HETATM 1309 C ALA A 89 -8.920 -13.356 0.956 1.00 0.06 C HETATM 1310 O ALA A 89 -10.066 -13.397 0.446 1.00 -0.57 O HETATM 1311 OXT ALA A 89 -8.646 -14.031 1.974 1.00 -0.57 O HETATM 1312 CB ALA A 89 -8.108 -11.002 0.744 1.00 -0.01 C HETATM 1313 CG ALA A 89 -6.977 -10.101 0.279 1.00 0.00 C HETATM 1314 CD ALA A 89 -7.213 -8.663 0.666 1.00 0.04 C HETATM 1315 OE1 ALA A 89 -8.251 -8.118 0.214 1.00 -0.57 O HETATM 1316 OE2 ALA A 89 -6.405 -8.085 1.439 1.00 -0.57 O HETATM 1317 H63 ALA A 89 -6.896 -10.167 -0.816 1.00 0.04 H HETATM 1318 H64 ALA A 89 -6.037 -10.444 0.737 1.00 0.04 H HETATM 1319 H61 ALA A 89 -8.191 -10.935 1.839 1.00 0.03 H HETATM 1320 H62 ALA A 89 -9.047 -10.662 0.284 1.00 0.03 H HETATM 1321 H60 ALA A 89 -6.882 -12.759 0.743 1.00 0.07 H HETATM 1322 H59 ALA A 89 -8.112 -11.829 -1.684 1.00 0.19 H HETATM 1323 H57 ALA A 89 -6.483 -14.119 -3.469 1.00 0.08 H HETATM 1324 H58 ALA A 89 -8.165 -14.747 -3.414 1.00 0.08 H HETATM 1325 H56 ALA A 89 -8.946 -12.624 -4.087 1.00 0.19 H HETATM 1326 CB ALA A 89 -7.472 -11.135 -6.806 1.00 -0.00 C HETATM 1327 CG1 ALA A 89 -8.342 -12.318 -7.218 1.00 -0.05 C HETATM 1328 CD1 ALA A 89 -8.304 -12.538 -8.727 1.00 -0.06 C HETATM 1329 H53 ALA A 89 -8.940 -13.396 -8.989 1.00 0.02 H HETATM 1330 H54 ALA A 89 -7.269 -12.739 -9.042 1.00 0.02 H HETATM 1331 H55 ALA A 89 -8.675 -11.637 -9.238 1.00 0.02 H HETATM 1332 H48 ALA A 89 -9.380 -12.123 -6.911 1.00 0.03 H HETATM 1333 H49 ALA A 89 -7.975 -13.225 -6.715 1.00 0.03 H HETATM 1334 CG2 ALA A 89 -6.025 -11.386 -7.147 1.00 -0.06 C HETATM 1335 H50 ALA A 89 -5.420 -10.520 -6.840 1.00 0.02 H HETATM 1336 H51 ALA A 89 -5.925 -11.537 -8.232 1.00 0.02 H HETATM 1337 H52 ALA A 89 -5.674 -12.284 -6.618 1.00 0.02 H HETATM 1338 H47 ALA A 89 -7.804 -10.262 -7.387 1.00 0.03 H HETATM 1339 H46 ALA A 89 -8.720 -10.668 -5.102 1.00 0.08 H HETATM 1340 H45 ALA A 89 -5.995 -9.566 -4.736 1.00 0.19 H HETATM 1341 CB ALA A 89 -7.144 -6.760 -3.206 1.00 -0.01 C HETATM 1342 CG ALA A 89 -6.033 -6.001 -2.453 1.00 -0.04 C HETATM 1343 CD1 ALA A 89 -6.562 -5.231 -1.263 1.00 -0.06 C HETATM 1344 H39 ALA A 89 -5.731 -4.710 -0.764 1.00 0.02 H HETATM 1345 H40 ALA A 89 -7.035 -5.928 -0.556 1.00 0.02 H HETATM 1346 H41 ALA A 89 -7.304 -4.494 -1.603 1.00 0.02 H HETATM 1347 CD2 ALA A 89 -4.928 -6.979 -2.015 1.00 -0.06 C HETATM 1348 H42 ALA A 89 -4.556 -7.529 -2.892 1.00 0.02 H HETATM 1349 H43 ALA A 89 -5.337 -7.691 -1.283 1.00 0.02 H HETATM 1350 H44 ALA A 89 -4.101 -6.417 -1.557 1.00 0.02 H HETATM 1351 H38 ALA A 89 -5.591 -5.275 -3.151 1.00 0.03 H HETATM 1352 H36 ALA A 89 -7.378 -7.674 -2.641 1.00 0.03 H HETATM 1353 H37 ALA A 89 -8.034 -6.115 -3.244 1.00 0.03 H HETATM 1354 H35 ALA A 89 -5.715 -7.421 -4.666 1.00 0.08 H HETATM 1355 H34 ALA A 89 -7.559 -5.286 -5.303 1.00 0.19 H HETATM 1356 CB ALA A 89 -7.517 -5.541 -9.033 1.00 0.09 C HETATM 1357 OG1 ALA A 89 -7.918 -4.444 -9.866 1.00 -0.39 O HETATM 1358 H30 ALA A 89 -8.538 -3.900 -9.395 1.00 0.21 H HETATM 1359 CG2 ALA A 89 -8.757 -6.386 -8.709 1.00 -0.03 C HETATM 1360 H31 ALA A 89 -9.202 -6.758 -9.644 1.00 0.03 H HETATM 1361 H32 ALA A 89 -9.492 -5.768 -8.173 1.00 0.03 H HETATM 1362 H33 ALA A 89 -8.465 -7.238 -8.078 1.00 0.03 H HETATM 1363 H29 ALA A 89 -6.789 -6.164 -9.573 1.00 0.06 H HETATM 1364 H28 ALA A 89 -7.556 -4.312 -7.255 1.00 0.08 H HETATM 1365 H27 ALA A 89 -4.975 -4.726 -8.708 1.00 0.19 H HETATM 1366 CB ALA A 89 -3.033 -2.997 -6.910 1.00 0.02 C HETATM 1367 CG ALA A 89 -1.598 -2.814 -7.242 1.00 -0.04 C HETATM 1368 CD1 ALA A 89 -0.951 -1.616 -6.958 1.00 -0.06 C HETATM 1369 CE1 ALA A 89 0.390 -1.449 -7.248 1.00 -0.07 C HETATM 1370 CZ ALA A 89 1.084 -2.473 -7.854 1.00 -0.07 C HETATM 1371 CE2 ALA A 89 0.453 -3.677 -8.139 1.00 -0.07 C HETATM 1372 CD2 ALA A 89 -0.868 -3.853 -7.825 1.00 -0.06 C HETATM 1373 H23 ALA A 89 -1.349 -4.802 -8.030 1.00 0.06 H HETATM 1374 H25 ALA A 89 1.008 -4.479 -8.611 1.00 0.06 H HETATM 1375 H26 ALA A 89 2.129 -2.338 -8.110 1.00 0.06 H HETATM 1376 H24 ALA A 89 0.891 -0.520 -7.001 1.00 0.06 H HETATM 1377 H22 ALA A 89 -1.506 -0.803 -6.503 1.00 0.06 H HETATM 1378 H20 ALA A 89 -3.216 -4.069 -6.743 1.00 0.05 H HETATM 1379 H21 ALA A 89 -3.249 -2.440 -5.986 1.00 0.05 H HETATM 1380 H19 ALA A 89 -3.663 -2.892 -8.979 1.00 0.08 H HETATM 1381 H18 ALA A 89 -3.833 -0.540 -7.191 1.00 0.19 H HETATM 1382 CB ALA A 89 -3.176 1.720 -9.990 1.00 0.08 C HETATM 1383 OG ALA A 89 -1.915 1.310 -9.485 1.00 -0.39 O HETATM 1384 H17 ALA A 89 -1.225 1.661 -10.036 1.00 0.21 H HETATM 1385 H15 ALA A 89 -3.232 2.818 -9.992 1.00 0.06 H HETATM 1386 H16 ALA A 89 -3.301 1.345 -11.016 1.00 0.06 H HETATM 1387 H14 ALA A 89 -5.254 1.491 -9.487 1.00 0.08 H HETATM 1388 H13 ALA A 89 -3.228 1.817 -7.369 1.00 0.19 H HETATM 1389 CB ALA A 89 -4.942 3.994 -5.645 1.00 -0.02 C HETATM 1390 H10 ALA A 89 -5.856 4.385 -6.117 1.00 0.03 H HETATM 1391 H11 ALA A 89 -4.064 4.315 -6.225 1.00 0.03 H HETATM 1392 H12 ALA A 89 -4.865 4.382 -4.618 1.00 0.03 H HETATM 1393 H9 ALA A 89 -5.858 2.161 -4.991 1.00 0.08 H HETATM 1394 H8 ALA A 89 -3.087 2.580 -4.663 1.00 0.19 H HETATM 1395 CB ALA A 89 -2.903 -0.513 -2.751 1.00 -0.00 C HETATM 1396 H5 ALA A 89 -3.551 -1.355 -3.037 1.00 0.03 H HETATM 1397 H6 ALA A 89 -3.472 0.193 -2.128 1.00 0.03 H HETATM 1398 H7 ALA A 89 -2.041 -0.891 -2.182 1.00 0.03 H HETATM 1399 H4 ALA A 89 -1.820 -0.515 -4.595 1.00 0.11 H HETATM 1400 H1 ALA A 89 -0.772 0.992 -3.109 1.00 0.20 H HETATM 1401 H2 ALA A 89 -2.074 2.000 -3.132 1.00 0.20 H HETATM 1402 H3 ALA A 89 -1.203 1.748 -4.506 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1275 1276 1400 1401 1402 CONECT 1276 1275 1277 1395 1399 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1394 CONECT 1280 1279 1281 1389 1393 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 1284 1388 CONECT 1284 1283 1285 1382 1387 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 1381 CONECT 1288 1287 1289 1366 1380 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 1292 1365 CONECT 1292 1291 1293 1356 1364 CONECT 1293 1292 1294 1295 CONECT 1294 1293 CONECT 1295 1293 1296 1355 CONECT 1296 1295 1297 1341 1354 CONECT 1297 1296 1298 1299 CONECT 1298 1297 CONECT 1299 1297 1300 1340 CONECT 1300 1299 1301 1326 1339 CONECT 1301 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 1304 1325 CONECT 1304 1303 1305 1323 1324 CONECT 1305 1304 1306 1307 CONECT 1306 1305 CONECT 1307 1305 1308 1322 CONECT 1308 1307 1309 1312 1321 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1308 1313 1319 1320 CONECT 1313 1312 1314 1317 1318 CONECT 1314 1313 1315 1316 CONECT 1315 1314 CONECT 1316 1314 CONECT 1317 1313 CONECT 1318 1313 CONECT 1319 1312 CONECT 1320 1312 CONECT 1321 1308 CONECT 1322 1307 CONECT 1323 1304 CONECT 1324 1304 CONECT 1325 1303 CONECT 1326 1300 1327 1334 1338 CONECT 1327 1326 1328 1332 1333 CONECT 1328 1327 1329 1330 1331 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1328 CONECT 1332 1327 CONECT 1333 1327 CONECT 1334 1326 1335 1336 1337 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1334 CONECT 1338 1326 CONECT 1339 1300 CONECT 1340 1299 CONECT 1341 1296 1342 1352 1353 CONECT 1342 1341 1343 1347 1351 CONECT 1343 1342 1344 1345 1346 CONECT 1344 1343 CONECT 1345 1343 CONECT 1346 1343 CONECT 1347 1342 1348 1349 1350 CONECT 1348 1347 CONECT 1349 1347 CONECT 1350 1347 CONECT 1351 1342 CONECT 1352 1341 CONECT 1353 1341 CONECT 1354 1296 CONECT 1355 1295 CONECT 1356 1292 1357 1359 1363 CONECT 1357 1356 1358 CONECT 1358 1357 CONECT 1359 1356 1360 1361 1362 CONECT 1360 1359 CONECT 1361 1359 CONECT 1362 1359 CONECT 1363 1356 CONECT 1364 1292 CONECT 1365 1291 CONECT 1366 1288 1367 1378 1379 CONECT 1367 1366 1368 1372 CONECT 1368 1367 1369 1377 CONECT 1369 1368 1370 1376 CONECT 1370 1369 1371 1375 CONECT 1371 1370 1372 1374 CONECT 1372 1367 1371 1373 CONECT 1373 1372 CONECT 1374 1371 CONECT 1375 1370 CONECT 1376 1369 CONECT 1377 1368 CONECT 1378 1366 CONECT 1379 1366 CONECT 1380 1288 CONECT 1381 1287 CONECT 1382 1284 1383 1385 1386 CONECT 1383 1382 1384 CONECT 1384 1383 CONECT 1385 1382 CONECT 1386 1382 CONECT 1387 1284 CONECT 1388 1283 CONECT 1389 1280 1390 1391 1392 CONECT 1390 1389 CONECT 1391 1389 CONECT 1392 1389 CONECT 1393 1280 CONECT 1394 1279 CONECT 1395 1276 1396 1397 1398 CONECT 1396 1395 CONECT 1397 1395 CONECT 1398 1395 CONECT 1399 1276 CONECT 1400 1275 CONECT 1401 1275 CONECT 1402 1275 MASTER 0 0 0 0 0 0 0 0 1401 1 132 10 END
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10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
6hoi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GABARAPL1
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.14(Å)
Affinity (Kd/Ki/IC50)
Kd=7.95uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Autophagy Vol. 15: pp. 1333-1355
Ligand Properties
Formula
C
4
1
H
6
6
N
9
O
1
4
Molecular Weight
909.015
Exact Mass
908.473
No. of atoms
130
No. of bonds
130
Polar Surface Area
375.5
LOGP Value
-1.05 (
Computed with XLOGP3
)
-1.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C)CO)CC(C)C)C
InChI String
InChI=1S/C41H65N9O14/c1-8-21(4)32(39(61)43-18-30(53)45-26(41(63)64)14-15-31(54)55)49-36(58)27(16-20(2)3)47-40(62)33(24(7)52)50-37(59)28(17-25-12-10-9-11-13-25)46-38(60)29(19-51)48-35(57)23(6)44-34(56)22(5)42/h9-13,20-24,26-29,32-33,51-52H,8,14-19,42H2,1-7H3,(H,43,61)(H,44,56)(H,45,53)(H,46,60)(H,47,62)(H,48,57)(H,49,58)(H,50,59)(H,54,55)(H,63,64)/p+1/t21-,22-,23-,24+,26-,27-,28-,29-,32-,33-/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):
Q9H0R8
Q14457
Entrez Gene ID
NCBI Entrez Gene ID:
23710
8678
ASD
Information of known allosteric effects of PDB entries
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