Browse entries in the PDBbind-CN Database
HEADER 6H8C_COMPLEX COMPND 6H8C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 MET GLY TRP MET PHE LYS GLU ASP HIS SER LEU GLU HIS SEQRES 2 A 116 ARG CYS VAL GLU SER ALA LYS ILE ARG ALA LYS TYR PRO SEQRES 3 A 116 ASP ARG VAL PRO VAL ILE VAL GLU LYS VAL SER GLY SER SEQRES 4 A 116 GLN ILE VAL ASP ILE ASP LYS ARG LYS TYR LEU VAL PRO SEQRES 5 A 116 SER ASP ILE THR VAL ALA GLN PHE MET TRP ILE ILE ARG SEQRES 6 A 116 LYS ARG ILE GLN LEU PRO SER GLU LYS ALA ILE PHE LEU SEQRES 7 A 116 PHE VAL ASP LYS THR VAL PRO GLN SER SER LEU THR MET SEQRES 8 A 116 GLY GLN LEU TYR GLU LYS GLU LYS ASP GLU ASP GLY PHE SEQRES 9 A 116 LEU TYR VAL ALA TYR SER GLY GLU ASN THR PHE GLY HET GLY A 117 289 ATOM 1 N MET A 1 0.429 -13.362 9.081 1.00 51.52 N ATOM 2 CA MET A 1 1.290 -14.132 8.170 1.00 14.44 C ATOM 3 C MET A 1 2.744 -13.760 8.437 1.00 31.41 C ATOM 4 O MET A 1 3.400 -14.399 9.263 1.00 65.24 O ATOM 5 CB MET A 1 0.810 -14.057 6.706 1.00 42.50 C ATOM 6 CG MET A 1 0.649 -12.656 6.093 1.00 1.13 C ATOM 7 SD MET A 1 -0.307 -12.608 4.554 1.00 4.24 S ATOM 8 CE MET A 1 0.002 -10.881 4.087 1.00 4.34 C ATOM 9 HN3 MET A 1 0.570 -12.345 8.913 1.00 0.00 H ATOM 10 HN2 MET A 1 0.677 -13.589 10.065 1.00 0.00 H ATOM 11 HN1 MET A 1 -0.566 -13.609 8.907 1.00 0.00 H ATOM 12 N GLY A 2 3.255 -12.697 7.830 1.00 71.40 N ATOM 13 CA GLY A 2 4.613 -12.232 7.998 1.00 3.42 C ATOM 14 C GLY A 2 4.917 -11.257 6.878 1.00 11.35 C ATOM 15 O GLY A 2 4.127 -11.127 5.935 1.00 70.00 O ATOM 16 H GLY A 2 2.636 -12.161 7.189 1.00 0.00 H ATOM 17 N TRP A 3 6.038 -10.557 6.988 1.00 10.51 N ATOM 18 CA TRP A 3 6.456 -9.599 5.995 1.00 2.12 C ATOM 19 C TRP A 3 7.559 -10.205 5.154 1.00 15.32 C ATOM 20 O TRP A 3 8.704 -10.355 5.590 1.00 13.35 O ATOM 21 CB TRP A 3 6.782 -8.285 6.684 1.00 23.34 C ATOM 22 CG TRP A 3 5.571 -7.648 7.300 1.00 21.25 C ATOM 23 CD1 TRP A 3 5.542 -7.093 8.527 1.00 34.10 C ATOM 24 CD2 TRP A 3 4.230 -7.445 6.742 1.00 33.51 C ATOM 25 NE1 TRP A 3 4.301 -6.540 8.764 1.00 35.12 N ATOM 26 CE2 TRP A 3 3.448 -6.728 7.696 1.00 25.15 C ATOM 27 CE3 TRP A 3 3.585 -7.760 5.522 1.00 52.32 C ATOM 28 CZ2 TRP A 3 2.128 -6.325 7.434 1.00 25.23 C ATOM 29 CZ3 TRP A 3 2.266 -7.363 5.254 1.00 64.02 C ATOM 30 CH2 TRP A 3 1.545 -6.605 6.186 1.00 35.51 C ATOM 31 HE1 TRP A 3 4.040 -6.043 9.639 1.00 0.00 H ATOM 32 H TRP A 3 6.639 -10.705 7.824 1.00 0.00 H ATOM 33 N MET A 4 7.169 -10.571 3.932 1.00 63.22 N ATOM 34 CA MET A 4 8.020 -11.183 2.925 1.00 62.01 C ATOM 35 C MET A 4 9.228 -10.283 2.668 1.00 60.11 C ATOM 36 O MET A 4 10.374 -10.718 2.740 1.00 13.45 O ATOM 37 CB MET A 4 7.174 -11.394 1.652 1.00 4.12 C ATOM 38 CG MET A 4 7.416 -12.770 1.046 1.00 32.30 C ATOM 39 SD MET A 4 6.817 -14.127 2.088 1.00 54.24 S ATOM 40 CE MET A 4 7.162 -15.465 0.927 1.00 75.24 C ATOM 41 H MET A 4 6.174 -10.405 3.679 1.00 0.00 H ATOM 42 N PHE A 5 8.968 -8.986 2.497 1.00 75.31 N ATOM 43 CA PHE A 5 9.984 -7.979 2.253 1.00 61.12 C ATOM 44 C PHE A 5 11.009 -7.921 3.388 1.00 31.10 C ATOM 45 O PHE A 5 12.212 -7.995 3.141 1.00 15.31 O ATOM 46 CB PHE A 5 9.282 -6.636 2.019 1.00 45.40 C ATOM 47 CG PHE A 5 8.456 -6.062 3.154 1.00 4.33 C ATOM 48 CD1 PHE A 5 9.069 -5.262 4.135 1.00 74.50 C ATOM 49 CD2 PHE A 5 7.075 -6.306 3.229 1.00 21.20 C ATOM 50 CE1 PHE A 5 8.328 -4.742 5.206 1.00 20.11 C ATOM 51 CE2 PHE A 5 6.328 -5.764 4.289 1.00 21.32 C ATOM 52 CZ PHE A 5 6.948 -4.989 5.282 1.00 43.52 C ATOM 53 H PHE A 5 7.976 -8.677 2.541 1.00 0.00 H ATOM 54 N LYS A 6 10.510 -7.831 4.628 1.00 62.13 N ATOM 55 CA LYS A 6 11.295 -7.754 5.854 1.00 71.12 C ATOM 56 C LYS A 6 12.087 -9.028 6.094 1.00 50.13 C ATOM 57 O LYS A 6 13.083 -8.993 6.815 1.00 14.41 O ATOM 58 CB LYS A 6 10.357 -7.492 7.038 1.00 64.04 C ATOM 59 CG LYS A 6 11.079 -6.809 8.209 1.00 20.30 C ATOM 60 CD LYS A 6 10.514 -7.262 9.562 1.00 53.21 C ATOM 61 CE LYS A 6 11.339 -8.364 10.246 1.00 44.51 C ATOM 62 NZ LYS A 6 11.671 -9.526 9.391 1.00 21.02 N ATOM 63 HZ1 LYS A 6 10.793 -9.975 9.061 1.00 0.00 H ATOM 64 HZ2 LYS A 6 12.226 -9.205 8.572 1.00 0.00 H ATOM 65 HZ3 LYS A 6 12.227 -10.212 9.941 1.00 0.00 H ATOM 66 H LYS A 6 9.475 -7.815 4.724 1.00 0.00 H ATOM 67 N GLU A 7 11.605 -10.161 5.589 1.00 33.23 N ATOM 68 CA GLU A 7 12.304 -11.418 5.750 1.00 40.44 C ATOM 69 C GLU A 7 13.509 -11.427 4.812 1.00 30.35 C ATOM 70 O GLU A 7 14.615 -11.743 5.253 1.00 64.22 O ATOM 71 CB GLU A 7 11.364 -12.602 5.454 1.00 52.11 C ATOM 72 CG GLU A 7 11.997 -13.967 5.756 1.00 22.52 C ATOM 73 CD GLU A 7 12.129 -14.264 7.255 1.00 44.14 C ATOM 74 OE1 GLU A 7 11.643 -15.329 7.699 1.00 44.33 O ATOM 75 OE2 GLU A 7 12.706 -13.456 8.011 1.00 21.32 O ATOM 76 H GLU A 7 10.706 -10.143 5.067 1.00 0.00 H ATOM 77 N ASP A 8 13.290 -11.060 3.549 1.00 42.13 N ATOM 78 CA ASP A 8 14.311 -11.032 2.505 1.00 32.44 C ATOM 79 C ASP A 8 15.303 -9.879 2.667 1.00 23.53 C ATOM 80 O ASP A 8 16.431 -10.135 3.082 1.00 40.52 O ATOM 81 CB ASP A 8 13.661 -11.118 1.116 1.00 63.12 C ATOM 82 CG ASP A 8 13.787 -12.531 0.559 1.00 51.21 C ATOM 83 OD1 ASP A 8 14.525 -12.722 -0.427 1.00 72.55 O ATOM 84 OD2 ASP A 8 13.195 -13.465 1.156 1.00 52.14 O ATOM 85 H ASP A 8 12.325 -10.774 3.289 1.00 0.00 H ATOM 86 N HIS A 9 14.949 -8.627 2.364 1.00 43.41 N ATOM 87 CA HIS A 9 15.862 -7.490 2.512 1.00 54.12 C ATOM 88 C HIS A 9 14.972 -6.248 2.590 1.00 45.12 C ATOM 89 O HIS A 9 14.147 -6.040 1.700 1.00 34.55 O ATOM 90 CB HIS A 9 16.863 -7.441 1.331 1.00 22.33 C ATOM 91 CG HIS A 9 16.210 -7.587 -0.018 1.00 1.42 C ATOM 92 ND1 HIS A 9 15.537 -6.592 -0.687 1.00 3.15 N ATOM 93 CD2 HIS A 9 15.899 -8.777 -0.616 1.00 1.23 C ATOM 94 CE1 HIS A 9 14.749 -7.187 -1.591 1.00 51.23 C ATOM 95 NE2 HIS A 9 14.912 -8.518 -1.570 1.00 63.14 N ATOM 96 H HIS A 9 13.987 -8.452 2.009 1.00 0.00 H ATOM 97 N SER A 10 15.048 -5.449 3.654 1.00 14.33 N ATOM 98 CA SER A 10 14.211 -4.261 3.764 1.00 44.33 C ATOM 99 C SER A 10 15.002 -3.020 4.134 1.00 1.24 C ATOM 100 O SER A 10 15.133 -2.156 3.281 1.00 42.50 O ATOM 101 CB SER A 10 13.018 -4.531 4.680 1.00 35.41 C ATOM 102 OG SER A 10 11.987 -3.583 4.488 1.00 73.34 O ATOM 103 HG SER A 10 11.233 -3.789 5.096 1.00 0.00 H ATOM 104 H SER A 10 15.715 -5.677 4.418 1.00 0.00 H ATOM 105 N LEU A 11 15.596 -2.955 5.324 1.00 33.15 N ATOM 106 CA LEU A 11 16.330 -1.785 5.816 1.00 55.33 C ATOM 107 C LEU A 11 17.201 -1.059 4.772 1.00 74.44 C ATOM 108 O LEU A 11 17.051 0.149 4.568 1.00 51.11 O ATOM 109 CB LEU A 11 17.139 -2.172 7.066 1.00 1.44 C ATOM 110 CG LEU A 11 16.347 -2.825 8.218 1.00 30.50 C ATOM 111 CD1 LEU A 11 17.309 -3.180 9.356 1.00 10.42 C ATOM 112 CD2 LEU A 11 15.243 -1.923 8.781 1.00 74.13 C ATOM 113 H LEU A 11 15.535 -3.788 5.944 1.00 0.00 H ATOM 114 N GLU A 12 18.144 -1.759 4.132 1.00 31.11 N ATOM 115 CA GLU A 12 19.030 -1.155 3.139 1.00 32.21 C ATOM 116 C GLU A 12 18.217 -0.699 1.913 1.00 64.23 C ATOM 117 O GLU A 12 18.265 0.478 1.548 1.00 11.21 O ATOM 118 CB GLU A 12 20.195 -2.116 2.810 1.00 43.42 C ATOM 119 CG GLU A 12 21.429 -1.355 2.301 1.00 33.50 C ATOM 120 CD GLU A 12 22.567 -2.262 1.805 1.00 60.11 C ATOM 121 OE1 GLU A 12 23.618 -2.348 2.486 1.00 51.24 O ATOM 122 OE2 GLU A 12 22.463 -2.824 0.690 1.00 41.23 O ATOM 123 H GLU A 12 18.251 -2.770 4.349 1.00 0.00 H ATOM 124 N HIS A 13 17.414 -1.602 1.330 1.00 23.44 N ATOM 125 CA HIS A 13 16.577 -1.356 0.156 1.00 52.53 C ATOM 126 C HIS A 13 15.662 -0.153 0.367 1.00 30.33 C ATOM 127 O HIS A 13 15.614 0.766 -0.447 1.00 74.22 O ATOM 128 CB HIS A 13 15.701 -2.588 -0.163 1.00 10.34 C ATOM 129 CG HIS A 13 14.879 -2.480 -1.429 1.00 53.15 C ATOM 130 ND1 HIS A 13 14.954 -3.313 -2.524 1.00 44.41 N ATOM 131 CD2 HIS A 13 13.821 -1.640 -1.632 1.00 55.54 C ATOM 132 CE1 HIS A 13 13.937 -3.006 -3.349 1.00 54.40 C ATOM 133 NE2 HIS A 13 13.185 -2.019 -2.817 1.00 0.35 N ATOM 134 H HIS A 13 17.384 -2.554 1.747 1.00 0.00 H ATOM 135 N ARG A 14 14.870 -0.177 1.438 1.00 22.52 N ATOM 136 CA ARG A 14 13.934 0.881 1.771 1.00 34.42 C ATOM 137 C ARG A 14 14.696 2.184 1.930 1.00 41.54 C ATOM 138 O ARG A 14 14.164 3.194 1.460 1.00 71.01 O ATOM 139 CB ARG A 14 13.121 0.549 3.034 1.00 52.41 C ATOM 140 CG ARG A 14 12.227 -0.708 3.021 1.00 3.10 C ATOM 141 CD ARG A 14 11.116 -0.783 1.962 1.00 11.32 C ATOM 142 NE ARG A 14 11.504 -1.551 0.761 1.00 61.53 N ATOM 143 CZ ARG A 14 11.556 -2.891 0.645 1.00 24.00 C ATOM 144 NH1 ARG A 14 11.306 -3.700 1.660 1.00 21.43 N ATOM 145 NH2 ARG A 14 11.865 -3.473 -0.505 1.00 31.01 N ATOM 146 HE ARG A 14 11.764 -0.999 -0.082 1.00 0.00 H ATOM 147 HH12 ARG A 14 11.357 -4.730 1.528 1.00 0.00 H ATOM 148 HH11 ARG A 14 11.058 -3.306 2.590 1.00 0.00 H ATOM 149 HH22 ARG A 14 11.899 -4.510 -0.570 1.00 0.00 H ATOM 150 HH21 ARG A 14 12.074 -2.892 -1.342 1.00 0.00 H ATOM 151 H ARG A 14 14.926 -1.000 2.071 1.00 0.00 H ATOM 152 N CYS A 15 15.891 2.198 2.540 1.00 30.14 N ATOM 153 CA CYS A 15 16.663 3.420 2.700 1.00 65.43 C ATOM 154 C CYS A 15 17.017 4.041 1.333 1.00 35.34 C ATOM 155 O CYS A 15 16.718 5.222 1.103 1.00 61.05 O ATOM 156 CB CYS A 15 17.934 3.112 3.505 1.00 1.55 C ATOM 157 SG CYS A 15 18.774 4.642 3.992 1.00 2.23 S ATOM 158 H CYS A 15 16.278 1.306 2.910 1.00 0.00 H ATOM 159 N VAL A 16 17.662 3.276 0.444 1.00 74.25 N ATOM 160 CA VAL A 16 18.052 3.792 -0.867 1.00 13.02 C ATOM 161 C VAL A 16 16.828 4.166 -1.702 1.00 33.44 C ATOM 162 O VAL A 16 16.757 5.286 -2.205 1.00 0.40 O ATOM 163 CB VAL A 16 19.016 2.824 -1.600 1.00 42.21 C ATOM 164 CG1 VAL A 16 18.491 1.402 -1.826 1.00 72.52 C ATOM 165 CG2 VAL A 16 19.439 3.402 -2.960 1.00 20.53 C ATOM 166 H VAL A 16 17.891 2.292 0.692 1.00 0.00 H ATOM 167 N GLU A 17 15.822 3.293 -1.786 1.00 72.21 N ATOM 168 CA GLU A 17 14.633 3.572 -2.575 1.00 44.41 C ATOM 169 C GLU A 17 13.905 4.791 -2.040 1.00 42.14 C ATOM 170 O GLU A 17 13.434 5.592 -2.840 1.00 21.30 O ATOM 171 CB GLU A 17 13.727 2.340 -2.675 1.00 23.20 C ATOM 172 CG GLU A 17 14.169 1.464 -3.860 1.00 5.24 C ATOM 173 CD GLU A 17 13.842 2.106 -5.218 1.00 33.15 C ATOM 174 OE1 GLU A 17 12.774 2.759 -5.331 1.00 30.15 O ATOM 175 OE2 GLU A 17 14.607 1.924 -6.191 1.00 1.23 O ATOM 176 H GLU A 17 15.890 2.390 -1.274 1.00 0.00 H ATOM 177 N SER A 18 13.811 4.962 -0.720 1.00 13.15 N ATOM 178 CA SER A 18 13.148 6.126 -0.155 1.00 2.04 C ATOM 179 C SER A 18 13.887 7.365 -0.655 1.00 40.50 C ATOM 180 O SER A 18 13.237 8.296 -1.121 1.00 33.43 O ATOM 181 CB SER A 18 13.098 6.050 1.372 1.00 24.23 C ATOM 182 OG SER A 18 12.342 7.115 1.910 1.00 74.24 O ATOM 183 HG SER A 18 12.326 7.041 2.897 1.00 0.00 H ATOM 184 H SER A 18 14.220 4.249 -0.083 1.00 0.00 H ATOM 185 N ALA A 19 15.226 7.400 -0.604 1.00 10.13 N ATOM 186 CA ALA A 19 15.948 8.574 -1.088 1.00 51.02 C ATOM 187 C ALA A 19 15.647 8.874 -2.557 1.00 51.01 C ATOM 188 O ALA A 19 15.340 10.023 -2.885 1.00 55.40 O ATOM 189 CB ALA A 19 17.441 8.445 -0.813 1.00 31.24 C ATOM 190 H ALA A 19 15.752 6.590 -0.219 1.00 0.00 H ATOM 191 N LYS A 20 15.679 7.864 -3.429 1.00 71.20 N ATOM 192 CA LYS A 20 15.394 8.047 -4.854 1.00 44.12 C ATOM 193 C LYS A 20 13.968 8.537 -5.060 1.00 21.21 C ATOM 194 O LYS A 20 13.739 9.498 -5.795 1.00 24.32 O ATOM 195 CB LYS A 20 15.576 6.733 -5.620 1.00 24.42 C ATOM 196 CG LYS A 20 17.004 6.188 -5.536 1.00 3.34 C ATOM 197 CD LYS A 20 17.147 4.911 -6.364 1.00 43.30 C ATOM 198 CE LYS A 20 17.280 5.200 -7.866 1.00 64.33 C ATOM 199 NZ LYS A 20 18.529 5.910 -8.216 1.00 25.53 N ATOM 200 HZ1 LYS A 20 18.560 6.822 -7.717 1.00 0.00 H ATOM 201 HZ2 LYS A 20 19.346 5.331 -7.934 1.00 0.00 H ATOM 202 HZ3 LYS A 20 18.557 6.074 -9.243 1.00 0.00 H ATOM 203 H LYS A 20 15.915 6.912 -3.084 1.00 0.00 H ATOM 204 N ILE A 21 13.004 7.894 -4.405 1.00 71.03 N ATOM 205 CA ILE A 21 11.595 8.226 -4.507 1.00 53.35 C ATOM 206 C ILE A 21 11.344 9.634 -3.983 1.00 42.15 C ATOM 207 O ILE A 21 10.638 10.381 -4.642 1.00 22.41 O ATOM 208 CB ILE A 21 10.775 7.175 -3.727 1.00 70.54 C ATOM 209 CG1 ILE A 21 10.788 5.839 -4.500 1.00 23.13 C ATOM 210 CG2 ILE A 21 9.331 7.630 -3.477 1.00 30.12 C ATOM 211 CD1 ILE A 21 10.337 4.630 -3.674 1.00 2.33 C ATOM 212 H ILE A 21 13.277 7.107 -3.783 1.00 0.00 H ATOM 213 N ARG A 22 11.946 10.046 -2.869 1.00 53.04 N ATOM 214 CA ARG A 22 11.744 11.379 -2.306 1.00 10.03 C ATOM 215 C ARG A 22 12.350 12.418 -3.242 1.00 14.31 C ATOM 216 O ARG A 22 11.752 13.464 -3.487 1.00 72.11 O ATOM 217 CB ARG A 22 12.366 11.439 -0.897 1.00 3.24 C ATOM 218 CG ARG A 22 11.650 10.552 0.145 1.00 1.34 C ATOM 219 CD ARG A 22 10.380 11.153 0.752 1.00 14.01 C ATOM 220 NE ARG A 22 10.646 12.284 1.652 1.00 54.24 N ATOM 221 CZ ARG A 22 11.002 12.226 2.937 1.00 12.24 C ATOM 222 NH1 ARG A 22 11.453 11.087 3.456 1.00 42.30 N ATOM 223 NH2 ARG A 22 10.900 13.305 3.702 1.00 70.14 N ATOM 224 HE ARG A 22 10.546 13.235 1.242 1.00 0.00 H ATOM 225 HH12 ARG A 22 11.729 11.046 4.458 1.00 0.00 H ATOM 226 HH11 ARG A 22 11.529 10.238 2.860 1.00 0.00 H ATOM 227 HH22 ARG A 22 11.177 13.261 4.703 1.00 0.00 H ATOM 228 HH21 ARG A 22 10.543 14.195 3.300 1.00 0.00 H ATOM 229 H ARG A 22 12.588 9.391 -2.379 1.00 0.00 H ATOM 230 N ALA A 23 13.520 12.127 -3.814 1.00 35.40 N ATOM 231 CA ALA A 23 14.171 13.052 -4.722 1.00 15.22 C ATOM 232 C ALA A 23 13.370 13.204 -6.022 1.00 33.22 C ATOM 233 O ALA A 23 13.099 14.327 -6.441 1.00 3.12 O ATOM 234 CB ALA A 23 15.580 12.536 -5.019 1.00 62.34 C ATOM 235 H ALA A 23 13.976 11.216 -3.604 1.00 0.00 H ATOM 236 N LYS A 24 12.944 12.108 -6.655 1.00 13.04 N ATOM 237 CA LYS A 24 12.191 12.196 -7.907 1.00 31.04 C ATOM 238 C LYS A 24 10.730 12.579 -7.714 1.00 25.15 C ATOM 239 O LYS A 24 10.259 13.484 -8.396 1.00 74.14 O ATOM 240 CB LYS A 24 12.238 10.869 -8.677 1.00 61.44 C ATOM 241 CG LYS A 24 13.640 10.525 -9.210 1.00 73.35 C ATOM 242 CD LYS A 24 13.571 9.546 -10.392 1.00 44.01 C ATOM 243 CE LYS A 24 12.890 8.226 -10.019 1.00 63.44 C ATOM 244 NZ LYS A 24 12.585 7.401 -11.206 1.00 62.12 N ATOM 245 HZ1 LYS A 24 11.948 7.927 -11.838 1.00 0.00 H ATOM 246 HZ2 LYS A 24 13.468 7.179 -11.709 1.00 0.00 H ATOM 247 HZ3 LYS A 24 12.125 6.518 -10.904 1.00 0.00 H ATOM 248 H LYS A 24 13.152 11.173 -6.250 1.00 0.00 H ATOM 249 N TYR A 25 10.049 11.939 -6.770 1.00 40.12 N ATOM 250 CA TYR A 25 8.638 12.111 -6.459 1.00 63.23 C ATOM 251 C TYR A 25 8.446 12.581 -5.005 1.00 63.22 C ATOM 252 O TYR A 25 7.998 11.809 -4.149 1.00 44.32 O ATOM 253 CB TYR A 25 7.934 10.766 -6.759 1.00 11.42 C ATOM 254 CG TYR A 25 8.399 10.051 -8.020 1.00 24.02 C ATOM 255 CD1 TYR A 25 8.949 8.753 -7.945 1.00 65.43 C ATOM 256 CD2 TYR A 25 8.332 10.708 -9.262 1.00 54.13 C ATOM 257 CE1 TYR A 25 9.405 8.107 -9.107 1.00 43.32 C ATOM 258 CE2 TYR A 25 8.806 10.076 -10.422 1.00 61.03 C ATOM 259 CZ TYR A 25 9.324 8.767 -10.353 1.00 3.45 C ATOM 260 OH TYR A 25 9.766 8.160 -11.484 1.00 72.34 O ATOM 261 HH TYR A 25 10.095 7.253 -11.263 1.00 0.00 H ATOM 262 H TYR A 25 10.575 11.248 -6.198 1.00 0.00 H ATOM 263 N PRO A 26 8.783 13.843 -4.682 1.00 13.22 N ATOM 264 CA PRO A 26 8.643 14.360 -3.327 1.00 41.34 C ATOM 265 C PRO A 26 7.187 14.457 -2.883 1.00 50.23 C ATOM 266 O PRO A 26 6.927 14.417 -1.685 1.00 71.00 O ATOM 267 CB PRO A 26 9.297 15.745 -3.336 1.00 11.22 C ATOM 268 CG PRO A 26 9.207 16.181 -4.797 1.00 63.20 C ATOM 269 CD PRO A 26 9.307 14.866 -5.570 1.00 22.41 C ATOM 270 N ASP A 27 6.246 14.587 -3.822 1.00 44.12 N ATOM 271 CA ASP A 27 4.824 14.699 -3.525 1.00 10.05 C ATOM 272 C ASP A 27 4.148 13.321 -3.511 1.00 61.24 C ATOM 273 O ASP A 27 2.922 13.260 -3.395 1.00 5.35 O ATOM 274 CB ASP A 27 4.171 15.566 -4.630 1.00 21.42 C ATOM 275 CG ASP A 27 3.670 16.931 -4.176 1.00 50.31 C ATOM 276 OD1 ASP A 27 3.087 17.059 -3.081 1.00 40.30 O ATOM 277 OD2 ASP A 27 3.812 17.883 -4.980 1.00 4.53 O ATOM 278 H ASP A 27 6.544 14.609 -4.818 1.00 0.00 H ATOM 279 N ARG A 28 4.890 12.202 -3.515 1.00 33.05 N ATOM 280 CA ARG A 28 4.315 10.849 -3.486 1.00 72.04 C ATOM 281 C ARG A 28 4.722 10.151 -2.198 1.00 30.10 C ATOM 282 O ARG A 28 5.757 10.467 -1.609 1.00 71.01 O ATOM 283 CB ARG A 28 4.714 10.015 -4.725 1.00 13.44 C ATOM 284 CG ARG A 28 4.010 10.432 -6.022 1.00 14.40 C ATOM 285 CD ARG A 28 4.341 9.505 -7.208 1.00 41.22 C ATOM 286 NE ARG A 28 3.126 8.949 -7.835 1.00 74.04 N ATOM 287 CZ ARG A 28 2.355 9.554 -8.754 1.00 24.35 C ATOM 288 NH1 ARG A 28 2.681 10.729 -9.283 1.00 42.34 N ATOM 289 NH2 ARG A 28 1.227 8.969 -9.135 1.00 45.42 N ATOM 290 HE ARG A 28 2.838 7.995 -7.536 1.00 0.00 H ATOM 291 HH12 ARG A 28 2.061 11.170 -9.992 1.00 0.00 H ATOM 292 HH11 ARG A 28 3.556 11.208 -8.987 1.00 0.00 H ATOM 293 HH22 ARG A 28 0.619 9.424 -9.845 1.00 0.00 H ATOM 294 HH21 ARG A 28 0.950 8.055 -8.723 1.00 0.00 H ATOM 295 H ARG A 28 5.925 12.297 -3.540 1.00 0.00 H ATOM 296 N VAL A 29 3.965 9.129 -1.807 1.00 3.25 N ATOM 297 CA VAL A 29 4.170 8.334 -0.608 1.00 33.44 C ATOM 298 C VAL A 29 4.398 6.866 -1.036 1.00 5.10 C ATOM 299 O VAL A 29 3.652 6.370 -1.895 1.00 72.41 O ATOM 300 CB VAL A 29 3.023 8.587 0.397 1.00 52.23 C ATOM 301 CG1 VAL A 29 2.815 10.097 0.625 1.00 21.24 C ATOM 302 CG2 VAL A 29 1.655 8.024 -0.003 1.00 62.25 C ATOM 303 H VAL A 29 3.157 8.877 -2.412 1.00 0.00 H ATOM 304 N PRO A 30 5.466 6.202 -0.536 1.00 23.43 N ATOM 305 CA PRO A 30 5.827 4.822 -0.859 1.00 24.41 C ATOM 306 C PRO A 30 5.062 3.793 -0.007 1.00 12.20 C ATOM 307 O PRO A 30 5.336 3.599 1.183 1.00 13.43 O ATOM 308 CB PRO A 30 7.334 4.759 -0.594 1.00 54.33 C ATOM 309 CG PRO A 30 7.535 5.703 0.591 1.00 74.32 C ATOM 310 CD PRO A 30 6.407 6.725 0.453 1.00 12.14 C ATOM 311 N VAL A 31 4.174 3.040 -0.650 1.00 2.13 N ATOM 312 CA VAL A 31 3.326 2.028 -0.035 1.00 52.01 C ATOM 313 C VAL A 31 3.618 0.636 -0.609 1.00 70.32 C ATOM 314 O VAL A 31 4.054 0.491 -1.756 1.00 51.55 O ATOM 315 CB VAL A 31 1.861 2.442 -0.293 1.00 54.42 C ATOM 316 CG1 VAL A 31 0.860 1.495 0.391 1.00 74.22 C ATOM 317 CG2 VAL A 31 1.540 3.874 0.170 1.00 63.10 C ATOM 318 H VAL A 31 4.077 3.186 -1.675 1.00 0.00 H ATOM 319 N ILE A 32 3.390 -0.394 0.206 1.00 25.22 N ATOM 320 CA ILE A 32 3.550 -1.814 -0.086 1.00 12.23 C ATOM 321 C ILE A 32 2.149 -2.382 0.165 1.00 51.44 C ATOM 322 O ILE A 32 1.523 -2.041 1.176 1.00 52.03 O ATOM 323 CB ILE A 32 4.656 -2.422 0.806 1.00 20.14 C ATOM 324 CG1 ILE A 32 6.023 -1.735 0.585 1.00 74.13 C ATOM 325 CG2 ILE A 32 4.812 -3.940 0.619 1.00 32.20 C ATOM 326 CD1 ILE A 32 6.544 -1.749 -0.861 1.00 24.04 C ATOM 327 H ILE A 32 3.059 -0.157 1.163 1.00 0.00 H ATOM 328 N VAL A 33 1.635 -3.210 -0.751 1.00 11.35 N ATOM 329 CA VAL A 33 0.296 -3.786 -0.640 1.00 74.25 C ATOM 330 C VAL A 33 0.359 -5.315 -0.737 1.00 23.20 C ATOM 331 O VAL A 33 0.844 -5.818 -1.753 1.00 41.42 O ATOM 332 CB VAL A 33 -0.642 -3.153 -1.700 1.00 42.34 C ATOM 333 CG1 VAL A 33 -2.099 -3.584 -1.473 1.00 54.04 C ATOM 334 CG2 VAL A 33 -0.615 -1.612 -1.686 1.00 1.34 C ATOM 335 H VAL A 33 2.214 -3.455 -1.579 1.00 0.00 H ATOM 336 N GLU A 34 -0.121 -6.057 0.277 1.00 11.14 N ATOM 337 CA GLU A 34 -0.114 -7.532 0.249 1.00 10.31 C ATOM 338 C GLU A 34 -1.521 -8.114 0.497 1.00 25.24 C ATOM 339 O GLU A 34 -2.365 -7.484 1.137 1.00 25.30 O ATOM 340 CB GLU A 34 0.975 -8.135 1.155 1.00 31.23 C ATOM 341 CG GLU A 34 2.374 -7.612 0.774 1.00 14.45 C ATOM 342 CD GLU A 34 3.519 -8.232 1.580 1.00 61.34 C ATOM 343 OE1 GLU A 34 4.145 -7.487 2.371 1.00 43.42 O ATOM 344 OE2 GLU A 34 3.820 -9.429 1.353 1.00 54.34 O ATOM 345 H GLU A 34 -0.511 -5.573 1.111 1.00 0.00 H ATOM 346 N LYS A 35 -1.792 -9.302 -0.063 1.00 73.22 N ATOM 347 CA LYS A 35 -3.064 -10.028 0.038 1.00 71.35 C ATOM 348 C LYS A 35 -3.051 -10.874 1.305 1.00 52.11 C ATOM 349 O LYS A 35 -2.131 -11.680 1.463 1.00 31.11 O ATOM 350 CB LYS A 35 -3.225 -10.912 -1.220 1.00 2.43 C ATOM 351 CG LYS A 35 -4.573 -11.640 -1.331 1.00 22.32 C ATOM 352 CD LYS A 35 -4.634 -13.068 -0.765 1.00 52.22 C ATOM 353 CE LYS A 35 -4.188 -14.182 -1.716 1.00 73.52 C ATOM 354 NZ LYS A 35 -2.739 -14.440 -1.693 1.00 42.21 N ATOM 355 HZ1 LYS A 35 -2.230 -13.576 -1.969 1.00 0.00 H ATOM 356 HZ2 LYS A 35 -2.453 -14.721 -0.733 1.00 0.00 H ATOM 357 HZ3 LYS A 35 -2.514 -15.205 -2.361 1.00 0.00 H ATOM 358 H LYS A 35 -1.034 -9.748 -0.618 1.00 0.00 H ATOM 359 N VAL A 36 -4.017 -10.710 2.209 1.00 30.51 N ATOM 360 CA VAL A 36 -4.075 -11.491 3.440 1.00 44.32 C ATOM 361 C VAL A 36 -4.449 -12.914 3.042 1.00 71.12 C ATOM 362 O VAL A 36 -5.413 -13.120 2.302 1.00 22.52 O ATOM 363 CB VAL A 36 -5.083 -10.881 4.431 1.00 24.43 C ATOM 364 CG1 VAL A 36 -5.135 -11.694 5.735 1.00 63.15 C ATOM 365 CG2 VAL A 36 -4.692 -9.448 4.808 1.00 44.53 C ATOM 366 H VAL A 36 -4.756 -10.000 2.030 1.00 0.00 H ATOM 367 N SER A 37 -3.686 -13.899 3.494 1.00 24.43 N ATOM 368 CA SER A 37 -3.942 -15.290 3.173 1.00 24.13 C ATOM 369 C SER A 37 -5.304 -15.769 3.694 1.00 44.54 C ATOM 370 O SER A 37 -5.808 -15.309 4.727 1.00 61.33 O ATOM 371 CB SER A 37 -2.775 -16.140 3.697 1.00 72.03 C ATOM 372 OG SER A 37 -2.199 -15.605 4.878 1.00 31.30 O ATOM 373 HG SER A 37 -1.455 -16.187 5.174 1.00 0.00 H ATOM 374 H SER A 37 -2.874 -13.666 4.101 1.00 0.00 H ATOM 375 N GLY A 38 -5.897 -16.690 2.941 1.00 42.52 N ATOM 376 CA GLY A 38 -7.164 -17.340 3.206 1.00 74.32 C ATOM 377 C GLY A 38 -8.394 -16.714 2.563 1.00 3.12 C ATOM 378 O GLY A 38 -9.376 -17.450 2.426 1.00 22.13 O ATOM 379 H GLY A 38 -5.400 -16.973 2.072 1.00 0.00 H ATOM 380 N SER A 39 -8.408 -15.440 2.146 1.00 72.13 N ATOM 381 CA SER A 39 -9.628 -14.906 1.530 1.00 3.33 C ATOM 382 C SER A 39 -9.722 -15.331 0.054 1.00 5.34 C ATOM 383 O SER A 39 -8.719 -15.623 -0.591 1.00 40.20 O ATOM 384 CB SER A 39 -9.745 -13.385 1.664 1.00 64.23 C ATOM 385 OG SER A 39 -8.980 -12.835 2.722 1.00 43.53 O ATOM 386 HG SER A 39 -9.278 -13.227 3.581 1.00 0.00 H ATOM 387 H SER A 39 -7.567 -14.839 2.257 1.00 0.00 H ATOM 388 N GLN A 40 -10.924 -15.266 -0.522 1.00 1.51 N ATOM 389 CA GLN A 40 -11.189 -15.645 -1.911 1.00 3.33 C ATOM 390 C GLN A 40 -10.675 -14.691 -3.005 1.00 45.42 C ATOM 391 O GLN A 40 -10.709 -15.081 -4.171 1.00 11.23 O ATOM 392 CB GLN A 40 -12.712 -15.799 -2.096 1.00 62.42 C ATOM 393 CG GLN A 40 -13.208 -17.214 -1.769 1.00 53.31 C ATOM 394 CD GLN A 40 -14.711 -17.374 -2.002 1.00 12.14 C ATOM 395 OE1 GLN A 40 -15.417 -17.998 -1.216 1.00 21.00 O ATOM 396 NE2 GLN A 40 -15.264 -16.858 -3.086 1.00 23.25 N ATOM 397 HE22 GLN A 40 -14.682 -16.326 -3.764 1.00 0.00 H ATOM 398 HE21 GLN A 40 -16.281 -16.984 -3.261 1.00 0.00 H ATOM 399 H GLN A 40 -11.722 -14.925 0.051 1.00 0.00 H ATOM 400 N ILE A 41 -10.256 -13.467 -2.694 1.00 4.53 N ATOM 401 CA ILE A 41 -9.798 -12.494 -3.694 1.00 50.33 C ATOM 402 C ILE A 41 -8.497 -12.889 -4.424 1.00 14.35 C ATOM 403 O ILE A 41 -7.738 -13.746 -3.964 1.00 64.21 O ATOM 404 CB ILE A 41 -9.745 -11.114 -2.994 1.00 20.22 C ATOM 405 CG1 ILE A 41 -9.562 -9.885 -3.898 1.00 62.20 C ATOM 406 CG2 ILE A 41 -8.681 -11.073 -1.884 1.00 34.13 C ATOM 407 CD1 ILE A 41 -10.685 -9.746 -4.926 1.00 64.34 C ATOM 408 H ILE A 41 -10.253 -13.185 -1.693 1.00 0.00 H ATOM 409 N VAL A 42 -8.234 -12.245 -5.565 1.00 53.33 N ATOM 410 CA VAL A 42 -7.052 -12.452 -6.393 1.00 73.12 C ATOM 411 C VAL A 42 -5.796 -12.058 -5.604 1.00 42.14 C ATOM 412 O VAL A 42 -5.860 -11.219 -4.701 1.00 12.41 O ATOM 413 CB VAL A 42 -7.150 -11.664 -7.718 1.00 21.51 C ATOM 414 CG1 VAL A 42 -8.184 -12.258 -8.681 1.00 31.41 C ATOM 415 CG2 VAL A 42 -7.478 -10.182 -7.520 1.00 54.44 C ATOM 416 H VAL A 42 -8.927 -11.540 -5.888 1.00 0.00 H ATOM 417 N ASP A 43 -4.655 -12.673 -5.929 1.00 74.42 N ATOM 418 CA ASP A 43 -3.378 -12.392 -5.264 1.00 20.25 C ATOM 419 C ASP A 43 -2.718 -11.129 -5.830 1.00 4.40 C ATOM 420 O ASP A 43 -3.164 -10.609 -6.860 1.00 43.44 O ATOM 421 CB ASP A 43 -2.433 -13.603 -5.379 1.00 52.42 C ATOM 422 CG ASP A 43 -1.205 -13.469 -4.473 1.00 33.15 C ATOM 423 OD1 ASP A 43 -1.342 -12.839 -3.402 1.00 11.43 O ATOM 424 OD2 ASP A 43 -0.111 -13.978 -4.801 1.00 72.41 O ATOM 425 H ASP A 43 -4.673 -13.383 -6.688 1.00 0.00 H ATOM 426 N ILE A 44 -1.665 -10.625 -5.177 1.00 54.30 N ATOM 427 CA ILE A 44 -0.923 -9.439 -5.580 1.00 43.33 C ATOM 428 C ILE A 44 0.569 -9.732 -5.715 1.00 73.14 C ATOM 429 O ILE A 44 1.170 -10.478 -4.936 1.00 51.42 O ATOM 430 CB ILE A 44 -1.235 -8.272 -4.617 1.00 72.53 C ATOM 431 CG1 ILE A 44 -0.690 -6.919 -5.122 1.00 14.55 C ATOM 432 CG2 ILE A 44 -0.726 -8.556 -3.193 1.00 23.32 C ATOM 433 CD1 ILE A 44 -1.472 -5.731 -4.547 1.00 65.32 C ATOM 434 H ILE A 44 -1.353 -11.118 -4.316 1.00 0.00 H ATOM 435 N ASP A 45 1.147 -9.108 -6.729 1.00 21.13 N ATOM 436 CA ASP A 45 2.549 -9.168 -7.105 1.00 50.35 C ATOM 437 C ASP A 45 3.347 -8.360 -6.082 1.00 41.42 C ATOM 438 O ASP A 45 2.774 -7.565 -5.328 1.00 71.44 O ATOM 439 CB ASP A 45 2.694 -8.564 -8.515 1.00 55.53 C ATOM 440 CG ASP A 45 1.680 -9.164 -9.483 1.00 61.35 C ATOM 441 OD1 ASP A 45 0.544 -8.623 -9.532 1.00 2.21 O ATOM 442 OD2 ASP A 45 1.938 -10.252 -10.049 1.00 41.10 O ATOM 443 H ASP A 45 0.532 -8.512 -7.319 1.00 0.00 H ATOM 444 N LYS A 46 4.658 -8.577 -6.002 1.00 75.31 N ATOM 445 CA LYS A 46 5.539 -7.860 -5.088 1.00 73.13 C ATOM 446 C LYS A 46 5.887 -6.577 -5.814 1.00 65.15 C ATOM 447 O LYS A 46 6.766 -6.597 -6.680 1.00 21.23 O ATOM 448 CB LYS A 46 6.798 -8.686 -4.781 1.00 23.44 C ATOM 449 CG LYS A 46 6.604 -9.730 -3.674 1.00 61.43 C ATOM 450 CD LYS A 46 5.960 -11.040 -4.136 1.00 35.21 C ATOM 451 CE LYS A 46 6.271 -12.119 -3.090 1.00 41.34 C ATOM 452 NZ LYS A 46 5.736 -13.433 -3.486 1.00 65.10 N ATOM 453 HZ1 LYS A 46 4.704 -13.368 -3.592 1.00 0.00 H ATOM 454 HZ2 LYS A 46 6.161 -13.721 -4.390 1.00 0.00 H ATOM 455 HZ3 LYS A 46 5.967 -14.135 -2.754 1.00 0.00 H ATOM 456 H LYS A 46 5.076 -9.297 -6.625 1.00 0.00 H ATOM 457 N ARG A 47 5.209 -5.462 -5.513 1.00 2.13 N ATOM 458 CA ARG A 47 5.463 -4.182 -6.176 1.00 54.45 C ATOM 459 C ARG A 47 5.504 -3.032 -5.173 1.00 71.13 C ATOM 460 O ARG A 47 4.981 -3.134 -4.064 1.00 14.33 O ATOM 461 CB ARG A 47 4.419 -3.945 -7.290 1.00 41.33 C ATOM 462 CG ARG A 47 4.306 -5.090 -8.318 1.00 3.44 C ATOM 463 CD ARG A 47 5.516 -5.299 -9.233 1.00 4.40 C ATOM 464 NE ARG A 47 5.571 -4.310 -10.319 1.00 13.23 N ATOM 465 CZ ARG A 47 6.202 -4.482 -11.484 1.00 61.42 C ATOM 466 NH1 ARG A 47 6.963 -5.553 -11.678 1.00 73.23 N ATOM 467 NH2 ARG A 47 6.073 -3.594 -12.464 1.00 54.13 N ATOM 468 HE ARG A 47 5.080 -3.405 -10.169 1.00 0.00 H ATOM 469 HH12 ARG A 47 7.453 -5.685 -12.586 1.00 0.00 H ATOM 470 HH11 ARG A 47 7.069 -6.260 -10.922 1.00 0.00 H ATOM 471 HH22 ARG A 47 6.569 -3.739 -13.366 1.00 0.00 H ATOM 472 HH21 ARG A 47 5.476 -2.754 -12.329 1.00 0.00 H ATOM 473 H ARG A 47 4.473 -5.507 -4.779 1.00 0.00 H ATOM 474 N LYS A 48 6.135 -1.929 -5.570 1.00 4.03 N ATOM 475 CA LYS A 48 6.313 -0.713 -4.770 1.00 4.24 C ATOM 476 C LYS A 48 5.368 0.337 -5.337 1.00 62.30 C ATOM 477 O LYS A 48 5.668 0.935 -6.371 1.00 23.01 O ATOM 478 CB LYS A 48 7.796 -0.267 -4.731 1.00 30.52 C ATOM 479 CG LYS A 48 8.766 -1.456 -4.752 1.00 34.33 C ATOM 480 CD LYS A 48 10.143 -1.234 -4.122 1.00 71.42 C ATOM 481 CE LYS A 48 11.063 -0.212 -4.771 1.00 21.20 C ATOM 482 NZ LYS A 48 10.752 1.164 -4.338 1.00 14.02 N ATOM 483 HZ1 LYS A 48 9.772 1.395 -4.599 1.00 0.00 H ATOM 484 HZ2 LYS A 48 10.863 1.235 -3.306 1.00 0.00 H ATOM 485 HZ3 LYS A 48 11.403 1.828 -4.804 1.00 0.00 H ATOM 486 H LYS A 48 6.536 -1.930 -6.530 1.00 0.00 H ATOM 487 N TYR A 49 4.212 0.519 -4.705 1.00 33.43 N ATOM 488 CA TYR A 49 3.188 1.458 -5.139 1.00 60.31 C ATOM 489 C TYR A 49 3.491 2.857 -4.607 1.00 52.33 C ATOM 490 O TYR A 49 3.586 3.064 -3.398 1.00 70.44 O ATOM 491 CB TYR A 49 1.820 0.959 -4.659 1.00 53.11 C ATOM 492 CG TYR A 49 1.407 -0.373 -5.258 1.00 1.31 C ATOM 493 CD1 TYR A 49 1.756 -1.588 -4.633 1.00 40.54 C ATOM 494 CD2 TYR A 49 0.700 -0.393 -6.473 1.00 15.10 C ATOM 495 CE1 TYR A 49 1.407 -2.817 -5.225 1.00 41.42 C ATOM 496 CE2 TYR A 49 0.345 -1.615 -7.068 1.00 14.42 C ATOM 497 CZ TYR A 49 0.707 -2.835 -6.454 1.00 54.12 C ATOM 498 OH TYR A 49 0.385 -4.011 -7.059 1.00 40.15 O ATOM 499 HH TYR A 49 0.707 -4.765 -6.504 1.00 0.00 H ATOM 500 H TYR A 49 4.029 -0.043 -3.849 1.00 0.00 H ATOM 501 N LEU A 50 3.653 3.827 -5.508 1.00 0.21 N ATOM 502 CA LEU A 50 3.954 5.223 -5.192 1.00 62.03 C ATOM 503 C LEU A 50 2.717 6.057 -5.513 1.00 13.42 C ATOM 504 O LEU A 50 2.453 6.302 -6.697 1.00 0.32 O ATOM 505 CB LEU A 50 5.178 5.725 -5.984 1.00 42.14 C ATOM 506 CG LEU A 50 6.426 4.825 -5.973 1.00 61.02 C ATOM 507 CD1 LEU A 50 7.585 5.597 -6.611 1.00 11.22 C ATOM 508 CD2 LEU A 50 6.860 4.367 -4.579 1.00 71.53 C ATOM 509 H LEU A 50 3.558 3.571 -6.512 1.00 0.00 H ATOM 510 N VAL A 51 1.974 6.505 -4.497 1.00 72.53 N ATOM 511 CA VAL A 51 0.750 7.290 -4.693 1.00 50.33 C ATOM 512 C VAL A 51 0.928 8.750 -4.273 1.00 41.03 C ATOM 513 O VAL A 51 1.693 8.998 -3.348 1.00 63.00 O ATOM 514 CB VAL A 51 -0.439 6.589 -4.024 1.00 1.14 C ATOM 515 CG1 VAL A 51 -0.821 5.345 -4.841 1.00 54.13 C ATOM 516 CG2 VAL A 51 -0.230 6.216 -2.550 1.00 13.34 C ATOM 517 H VAL A 51 2.276 6.288 -3.526 1.00 0.00 H ATOM 518 N PRO A 52 0.332 9.736 -4.970 1.00 12.14 N ATOM 519 CA PRO A 52 0.478 11.138 -4.615 1.00 50.04 C ATOM 520 C PRO A 52 -0.157 11.409 -3.257 1.00 64.43 C ATOM 521 O PRO A 52 -1.239 10.923 -2.945 1.00 23.43 O ATOM 522 CB PRO A 52 -0.188 11.940 -5.735 1.00 4.52 C ATOM 523 CG PRO A 52 -1.241 10.975 -6.260 1.00 4.23 C ATOM 524 CD PRO A 52 -0.597 9.600 -6.079 1.00 13.42 C ATOM 525 N SER A 53 0.526 12.216 -2.459 1.00 13.45 N ATOM 526 CA SER A 53 0.125 12.633 -1.130 1.00 0.42 C ATOM 527 C SER A 53 -1.171 13.463 -1.141 1.00 11.52 C ATOM 528 O SER A 53 -1.778 13.618 -0.080 1.00 23.04 O ATOM 529 CB SER A 53 1.282 13.432 -0.508 1.00 62.10 C ATOM 530 OG SER A 53 1.642 14.550 -1.302 1.00 41.14 O ATOM 531 HG SER A 53 1.926 14.239 -2.198 1.00 0.00 H ATOM 532 H SER A 53 1.430 12.583 -2.818 1.00 0.00 H ATOM 533 N ASP A 54 -1.573 13.965 -2.317 1.00 1.15 N ATOM 534 CA ASP A 54 -2.750 14.796 -2.537 1.00 24.52 C ATOM 535 C ASP A 54 -4.063 14.022 -2.498 1.00 74.11 C ATOM 536 O ASP A 54 -5.062 14.568 -2.019 1.00 41.14 O ATOM 537 CB ASP A 54 -2.697 15.377 -3.961 1.00 10.24 C ATOM 538 CG ASP A 54 -1.664 16.469 -4.194 1.00 13.02 C ATOM 539 OD1 ASP A 54 -0.782 16.288 -5.072 1.00 34.32 O ATOM 540 OD2 ASP A 54 -1.810 17.553 -3.581 1.00 50.52 O ATOM 541 H ASP A 54 -0.991 13.741 -3.149 1.00 0.00 H ATOM 542 N ILE A 55 -4.087 12.777 -2.986 1.00 53.24 N ATOM 543 CA ILE A 55 -5.319 11.997 -2.997 1.00 3.44 C ATOM 544 C ILE A 55 -5.678 11.506 -1.592 1.00 31.11 C ATOM 545 O ILE A 55 -4.858 11.507 -0.674 1.00 34.12 O ATOM 546 CB ILE A 55 -5.236 10.851 -4.023 1.00 73.41 C ATOM 547 CG1 ILE A 55 -4.135 9.819 -3.697 1.00 12.11 C ATOM 548 CG2 ILE A 55 -5.068 11.415 -5.442 1.00 13.44 C ATOM 549 CD1 ILE A 55 -4.684 8.401 -3.567 1.00 22.12 C ATOM 550 H ILE A 55 -3.213 12.358 -3.364 1.00 0.00 H ATOM 551 N THR A 56 -6.912 11.047 -1.424 1.00 2.34 N ATOM 552 CA THR A 56 -7.423 10.548 -0.159 1.00 62.50 C ATOM 553 C THR A 56 -7.395 9.018 -0.124 1.00 22.01 C ATOM 554 O THR A 56 -7.256 8.349 -1.154 1.00 3.51 O ATOM 555 CB THR A 56 -8.861 11.069 0.017 1.00 13.12 C ATOM 556 OG1 THR A 56 -9.623 10.693 -1.117 1.00 61.33 O ATOM 557 CG2 THR A 56 -8.897 12.594 0.169 1.00 51.04 C ATOM 558 HG1 THR A 56 -9.219 11.088 -1.930 1.00 0.00 H ATOM 559 H THR A 56 -7.550 11.044 -2.245 1.00 0.00 H ATOM 560 N VAL A 57 -7.548 8.447 1.070 1.00 33.24 N ATOM 561 CA VAL A 57 -7.593 7.007 1.302 1.00 22.34 C ATOM 562 C VAL A 57 -8.702 6.413 0.415 1.00 31.12 C ATOM 563 O VAL A 57 -8.540 5.317 -0.118 1.00 22.40 O ATOM 564 CB VAL A 57 -7.776 6.761 2.815 1.00 41.04 C ATOM 565 CG1 VAL A 57 -8.099 5.303 3.154 1.00 75.23 C ATOM 566 CG2 VAL A 57 -6.530 7.176 3.615 1.00 53.14 C ATOM 567 H VAL A 57 -7.642 9.072 1.896 1.00 0.00 H ATOM 568 N ALA A 58 -9.809 7.138 0.213 1.00 42.52 N ATOM 569 CA ALA A 58 -10.935 6.726 -0.603 1.00 45.14 C ATOM 570 C ALA A 58 -10.484 6.453 -2.035 1.00 71.04 C ATOM 571 O ALA A 58 -10.873 5.434 -2.611 1.00 74.34 O ATOM 572 CB ALA A 58 -11.997 7.836 -0.616 1.00 12.34 C ATOM 573 H ALA A 58 -9.866 8.067 0.676 1.00 0.00 H ATOM 574 N GLN A 59 -9.676 7.338 -2.625 1.00 52.13 N ATOM 575 CA GLN A 59 -9.193 7.181 -3.978 1.00 64.43 C ATOM 576 C GLN A 59 -8.197 6.034 -4.045 1.00 13.02 C ATOM 577 O GLN A 59 -8.334 5.194 -4.928 1.00 33.13 O ATOM 578 CB GLN A 59 -8.545 8.485 -4.451 1.00 62.20 C ATOM 579 CG GLN A 59 -9.569 9.626 -4.507 1.00 20.22 C ATOM 580 CD GLN A 59 -8.936 10.942 -4.923 1.00 42.24 C ATOM 581 OE1 GLN A 59 -8.973 11.933 -4.199 1.00 54.41 O ATOM 582 NE2 GLN A 59 -8.367 10.983 -6.105 1.00 21.20 N ATOM 583 HE22 GLN A 59 -8.347 10.132 -6.702 1.00 0.00 H ATOM 584 HE21 GLN A 59 -7.936 11.867 -6.444 1.00 0.00 H ATOM 585 H GLN A 59 -9.381 8.178 -2.087 1.00 0.00 H ATOM 586 N PHE A 60 -7.244 5.950 -3.108 1.00 22.20 N ATOM 587 CA PHE A 60 -6.254 4.876 -3.132 1.00 0.33 C ATOM 588 C PHE A 60 -6.965 3.526 -3.059 1.00 70.41 C ATOM 589 O PHE A 60 -6.717 2.662 -3.899 1.00 33.01 O ATOM 590 CB PHE A 60 -5.239 5.036 -1.991 1.00 51.34 C ATOM 591 CG PHE A 60 -4.211 3.920 -1.869 1.00 15.45 C ATOM 592 CD1 PHE A 60 -3.732 3.576 -0.593 1.00 24.12 C ATOM 593 CD2 PHE A 60 -3.742 3.208 -2.995 1.00 4.13 C ATOM 594 CE1 PHE A 60 -2.809 2.532 -0.433 1.00 63.35 C ATOM 595 CE2 PHE A 60 -2.839 2.143 -2.835 1.00 4.10 C ATOM 596 CZ PHE A 60 -2.365 1.809 -1.554 1.00 1.33 C ATOM 597 H PHE A 60 -7.208 6.661 -2.350 1.00 0.00 H ATOM 598 N MET A 61 -7.896 3.372 -2.118 1.00 11.22 N ATOM 599 CA MET A 61 -8.666 2.156 -1.937 1.00 35.20 C ATOM 600 C MET A 61 -9.363 1.782 -3.242 1.00 31.30 C ATOM 601 O MET A 61 -9.251 0.644 -3.698 1.00 75.02 O ATOM 602 CB MET A 61 -9.667 2.377 -0.796 1.00 53.35 C ATOM 603 CG MET A 61 -10.473 1.117 -0.490 1.00 1.20 C ATOM 604 SD MET A 61 -11.710 1.348 0.819 1.00 64.21 S ATOM 605 CE MET A 61 -13.006 2.209 -0.100 1.00 22.11 C ATOM 606 H MET A 61 -8.081 4.169 -1.477 1.00 0.00 H ATOM 607 N TRP A 62 -10.085 2.732 -3.845 1.00 54.22 N ATOM 608 CA TRP A 62 -10.786 2.493 -5.097 1.00 42.22 C ATOM 609 C TRP A 62 -9.805 2.044 -6.181 1.00 62.04 C ATOM 610 O TRP A 62 -10.140 1.167 -6.972 1.00 72.14 O ATOM 611 CB TRP A 62 -11.631 3.704 -5.493 1.00 1.42 C ATOM 612 CG TRP A 62 -12.975 3.756 -4.822 1.00 4.21 C ATOM 613 CD1 TRP A 62 -13.213 3.607 -3.498 1.00 3.14 C ATOM 614 CD2 TRP A 62 -14.280 3.994 -5.428 1.00 53.04 C ATOM 615 NE1 TRP A 62 -14.563 3.744 -3.246 1.00 60.11 N ATOM 616 CE2 TRP A 62 -15.269 3.995 -4.401 1.00 54.24 C ATOM 617 CE3 TRP A 62 -14.721 4.247 -6.743 1.00 20.44 C ATOM 618 CZ2 TRP A 62 -16.623 4.249 -4.666 1.00 1.33 C ATOM 619 CZ3 TRP A 62 -16.078 4.491 -7.020 1.00 64.05 C ATOM 620 CH2 TRP A 62 -17.026 4.506 -5.987 1.00 12.04 C ATOM 621 HE1 TRP A 62 -14.993 3.667 -2.302 1.00 0.00 H ATOM 622 H TRP A 62 -10.147 3.672 -3.405 1.00 0.00 H ATOM 623 N ILE A 63 -8.601 2.609 -6.243 1.00 45.34 N ATOM 624 CA ILE A 63 -7.623 2.208 -7.246 1.00 13.40 C ATOM 625 C ILE A 63 -7.169 0.768 -7.001 1.00 25.21 C ATOM 626 O ILE A 63 -7.122 0.024 -7.978 1.00 41.21 O ATOM 627 CB ILE A 63 -6.448 3.197 -7.329 1.00 13.25 C ATOM 628 CG1 ILE A 63 -6.944 4.604 -7.720 1.00 63.44 C ATOM 629 CG2 ILE A 63 -5.457 2.733 -8.410 1.00 5.15 C ATOM 630 CD1 ILE A 63 -5.985 5.705 -7.250 1.00 73.45 C ATOM 631 H ILE A 63 -8.353 3.353 -5.560 1.00 0.00 H ATOM 632 N ILE A 64 -6.894 0.339 -5.758 1.00 65.12 N ATOM 633 CA ILE A 64 -6.452 -1.042 -5.516 1.00 50.30 C ATOM 634 C ILE A 64 -7.532 -1.992 -6.032 1.00 53.24 C ATOM 635 O ILE A 64 -7.247 -2.855 -6.865 1.00 41.40 O ATOM 636 CB ILE A 64 -6.190 -1.316 -4.010 1.00 60.14 C ATOM 637 CG1 ILE A 64 -5.084 -0.414 -3.424 1.00 43.41 C ATOM 638 CG2 ILE A 64 -5.802 -2.796 -3.778 1.00 1.34 C ATOM 639 CD1 ILE A 64 -5.067 -0.470 -1.891 1.00 54.01 C ATOM 640 H ILE A 64 -6.995 0.993 -4.956 1.00 0.00 H ATOM 641 N ARG A 65 -8.797 -1.784 -5.636 1.00 3.51 N ATOM 642 CA ARG A 65 -9.859 -2.665 -6.104 1.00 33.13 C ATOM 643 C ARG A 65 -10.029 -2.626 -7.627 1.00 40.44 C ATOM 644 O ARG A 65 -10.212 -3.685 -8.227 1.00 64.30 O ATOM 645 CB ARG A 65 -11.144 -2.422 -5.316 1.00 42.43 C ATOM 646 CG ARG A 65 -11.749 -1.027 -5.489 1.00 55.21 C ATOM 647 CD ARG A 65 -13.160 -0.929 -4.919 1.00 33.22 C ATOM 648 NE ARG A 65 -14.040 -1.800 -5.702 1.00 2.40 N ATOM 649 CZ ARG A 65 -15.349 -1.699 -5.895 1.00 70.14 C ATOM 650 NH1 ARG A 65 -16.046 -0.713 -5.338 1.00 74.52 N ATOM 651 NH2 ARG A 65 -15.920 -2.621 -6.653 1.00 14.10 N ATOM 652 HE ARG A 65 -13.577 -2.605 -6.169 1.00 0.00 H ATOM 653 HH12 ARG A 65 -17.071 -0.646 -5.498 1.00 0.00 H ATOM 654 HH11 ARG A 65 -15.566 -0.009 -4.742 1.00 0.00 H ATOM 655 HH22 ARG A 65 -16.944 -2.585 -6.834 1.00 0.00 H ATOM 656 HH21 ARG A 65 -15.345 -3.382 -7.068 1.00 0.00 H ATOM 657 H ARG A 65 -9.019 -0.995 -4.996 1.00 0.00 H ATOM 658 N LYS A 66 -9.924 -1.455 -8.267 1.00 51.12 N ATOM 659 CA LYS A 66 -10.061 -1.337 -9.720 1.00 52.22 C ATOM 660 C LYS A 66 -8.905 -2.036 -10.420 1.00 44.01 C ATOM 661 O LYS A 66 -9.120 -2.717 -11.422 1.00 33.03 O ATOM 662 CB LYS A 66 -10.152 0.138 -10.151 1.00 63.52 C ATOM 663 CG LYS A 66 -11.557 0.692 -9.879 1.00 74.14 C ATOM 664 CD LYS A 66 -11.747 2.182 -10.205 1.00 34.41 C ATOM 665 CE LYS A 66 -10.928 3.066 -9.258 1.00 23.20 C ATOM 666 NZ LYS A 66 -11.136 4.517 -9.460 1.00 21.43 N ATOM 667 HZ1 LYS A 66 -10.866 4.773 -10.431 1.00 0.00 H ATOM 668 HZ2 LYS A 66 -12.138 4.747 -9.306 1.00 0.00 H ATOM 669 HZ3 LYS A 66 -10.550 5.047 -8.784 1.00 0.00 H ATOM 670 H LYS A 66 -9.738 -0.596 -7.711 1.00 0.00 H ATOM 671 N ARG A 67 -7.677 -1.917 -9.912 1.00 5.14 N ATOM 672 CA ARG A 67 -6.499 -2.545 -10.495 1.00 63.43 C ATOM 673 C ARG A 67 -6.669 -4.055 -10.514 1.00 71.42 C ATOM 674 O ARG A 67 -6.446 -4.663 -11.562 1.00 55.30 O ATOM 675 CB ARG A 67 -5.232 -2.139 -9.723 1.00 40.34 C ATOM 676 CG ARG A 67 -4.554 -0.859 -10.243 1.00 30.33 C ATOM 677 CD ARG A 67 -3.626 -1.095 -11.452 1.00 60.53 C ATOM 678 NE ARG A 67 -4.346 -1.428 -12.697 1.00 52.41 N ATOM 679 CZ ARG A 67 -4.924 -0.564 -13.541 1.00 14.42 C ATOM 680 NH1 ARG A 67 -4.831 0.749 -13.345 1.00 33.13 N ATOM 681 NH2 ARG A 67 -5.607 -1.028 -14.576 1.00 63.43 N ATOM 682 HE ARG A 67 -4.411 -2.436 -12.944 1.00 0.00 H ATOM 683 HH12 ARG A 67 -5.285 1.407 -14.009 1.00 0.00 H ATOM 684 HH11 ARG A 67 -4.304 1.117 -12.527 1.00 0.00 H ATOM 685 HH22 ARG A 67 -6.060 -0.367 -15.238 1.00 0.00 H ATOM 686 HH21 ARG A 67 -5.690 -2.054 -14.727 1.00 0.00 H ATOM 687 H ARG A 67 -7.554 -1.344 -9.053 1.00 0.00 H ATOM 688 N ILE A 68 -7.099 -4.647 -9.399 1.00 41.34 N ATOM 689 CA ILE A 68 -7.302 -6.091 -9.295 1.00 71.03 C ATOM 690 C ILE A 68 -8.654 -6.550 -9.883 1.00 53.33 C ATOM 691 O ILE A 68 -8.928 -7.749 -9.926 1.00 64.32 O ATOM 692 CB ILE A 68 -7.070 -6.552 -7.841 1.00 14.11 C ATOM 693 CG1 ILE A 68 -8.263 -6.235 -6.921 1.00 72.31 C ATOM 694 CG2 ILE A 68 -5.745 -5.997 -7.279 1.00 74.51 C ATOM 695 CD1 ILE A 68 -8.098 -6.807 -5.512 1.00 63.04 C ATOM 696 H ILE A 68 -7.299 -4.056 -8.567 1.00 0.00 H ATOM 697 N GLN A 69 -9.472 -5.612 -10.380 1.00 50.42 N ATOM 698 CA GLN A 69 -10.787 -5.812 -10.980 1.00 1.11 C ATOM 699 C GLN A 69 -11.770 -6.515 -10.042 1.00 32.44 C ATOM 700 O GLN A 69 -12.343 -7.537 -10.412 1.00 2.03 O ATOM 701 CB GLN A 69 -10.662 -6.482 -12.366 1.00 25.51 C ATOM 702 CG GLN A 69 -10.201 -5.497 -13.438 1.00 73.23 C ATOM 703 CD GLN A 69 -11.341 -4.569 -13.857 1.00 20.54 C ATOM 704 OE1 GLN A 69 -11.547 -3.489 -13.304 1.00 5.23 O ATOM 705 NE2 GLN A 69 -12.146 -4.992 -14.816 1.00 44.54 N ATOM 706 HE22 GLN A 69 -11.967 -5.905 -15.280 1.00 0.00 H ATOM 707 HE21 GLN A 69 -12.958 -4.411 -15.107 1.00 0.00 H ATOM 708 H GLN A 69 -9.131 -4.631 -10.333 1.00 0.00 H ATOM 709 N LEU A 70 -12.028 -5.944 -8.863 1.00 54.30 N ATOM 710 CA LEU A 70 -12.938 -6.504 -7.862 1.00 74.43 C ATOM 711 C LEU A 70 -14.402 -6.463 -8.339 1.00 75.23 C ATOM 712 O LEU A 70 -14.975 -5.364 -8.421 1.00 0.25 O ATOM 713 CB LEU A 70 -12.745 -5.747 -6.537 1.00 23.13 C ATOM 714 CG LEU A 70 -13.543 -6.232 -5.305 1.00 23.13 C ATOM 715 CD1 LEU A 70 -14.846 -5.462 -5.072 1.00 41.42 C ATOM 716 CD2 LEU A 70 -13.812 -7.730 -5.248 1.00 1.14 C ATOM 717 H LEU A 70 -11.553 -5.046 -8.642 1.00 0.00 H ATOM 718 N PRO A 71 -15.022 -7.610 -8.688 1.00 2.05 N ATOM 719 CA PRO A 71 -16.414 -7.662 -9.136 1.00 51.14 C ATOM 720 C PRO A 71 -17.377 -7.345 -7.993 1.00 2.21 C ATOM 721 O PRO A 71 -17.050 -7.575 -6.830 1.00 1.44 O ATOM 722 CB PRO A 71 -16.646 -9.109 -9.585 1.00 42.33 C ATOM 723 CG PRO A 71 -15.633 -9.910 -8.773 1.00 1.50 C ATOM 724 CD PRO A 71 -14.458 -8.958 -8.642 1.00 31.14 C ATOM 725 N SER A 72 -18.591 -6.891 -8.314 1.00 52.13 N ATOM 726 CA SER A 72 -19.603 -6.576 -7.308 1.00 74.44 C ATOM 727 C SER A 72 -20.035 -7.816 -6.498 1.00 21.11 C ATOM 728 O SER A 72 -20.664 -7.649 -5.448 1.00 62.14 O ATOM 729 CB SER A 72 -20.796 -5.864 -7.962 1.00 62.00 C ATOM 730 OG SER A 72 -20.400 -4.579 -8.420 1.00 40.21 O ATOM 731 HG SER A 72 -21.174 -4.127 -8.840 1.00 0.00 H ATOM 732 H SER A 72 -18.825 -6.756 -9.318 1.00 0.00 H ATOM 733 N GLU A 73 -19.709 -9.044 -6.931 1.00 43.33 N ATOM 734 CA GLU A 73 -20.058 -10.253 -6.189 1.00 71.55 C ATOM 735 C GLU A 73 -19.229 -10.326 -4.901 1.00 1.31 C ATOM 736 O GLU A 73 -19.752 -10.779 -3.881 1.00 21.11 O ATOM 737 CB GLU A 73 -19.901 -11.541 -7.021 1.00 31.03 C ATOM 738 CG GLU A 73 -18.519 -11.745 -7.668 1.00 63.35 C ATOM 739 CD GLU A 73 -17.814 -13.087 -7.410 1.00 53.42 C ATOM 740 OE1 GLU A 73 -16.710 -13.279 -7.961 1.00 25.51 O ATOM 741 OE2 GLU A 73 -18.296 -13.916 -6.601 1.00 52.44 O ATOM 742 H GLU A 73 -19.189 -9.138 -7.827 1.00 0.00 H ATOM 743 N LYS A 74 -17.951 -9.915 -4.913 1.00 70.52 N ATOM 744 CA LYS A 74 -17.083 -9.929 -3.729 1.00 54.10 C ATOM 745 C LYS A 74 -16.925 -8.532 -3.151 1.00 11.51 C ATOM 746 O LYS A 74 -17.344 -7.537 -3.741 1.00 2.42 O ATOM 747 CB LYS A 74 -15.715 -10.595 -3.984 1.00 64.24 C ATOM 748 CG LYS A 74 -15.785 -12.001 -4.583 1.00 4.32 C ATOM 749 CD LYS A 74 -16.577 -13.033 -3.768 1.00 61.54 C ATOM 750 CE LYS A 74 -15.801 -13.666 -2.596 1.00 31.52 C ATOM 751 NZ LYS A 74 -15.803 -12.876 -1.338 1.00 54.14 N ATOM 752 HZ1 LYS A 74 -15.371 -11.946 -1.513 1.00 0.00 H ATOM 753 HZ2 LYS A 74 -16.782 -12.748 -1.012 1.00 0.00 H ATOM 754 HZ3 LYS A 74 -15.257 -13.382 -0.611 1.00 0.00 H ATOM 755 H LYS A 74 -17.554 -9.568 -5.810 1.00 0.00 H ATOM 756 N ALA A 75 -16.442 -8.473 -1.919 1.00 64.41 N ATOM 757 CA ALA A 75 -16.165 -7.265 -1.169 1.00 44.42 C ATOM 758 C ALA A 75 -14.643 -7.142 -1.073 1.00 35.33 C ATOM 759 O ALA A 75 -13.924 -8.084 -1.415 1.00 13.41 O ATOM 760 CB ALA A 75 -16.834 -7.358 0.203 1.00 15.31 C ATOM 761 H ALA A 75 -16.243 -9.378 -1.446 1.00 0.00 H ATOM 762 N ILE A 76 -14.148 -6.009 -0.588 1.00 42.50 N ATOM 763 CA ILE A 76 -12.726 -5.750 -0.422 1.00 52.32 C ATOM 764 C ILE A 76 -12.560 -4.770 0.731 1.00 22.14 C ATOM 765 O ILE A 76 -13.210 -3.719 0.758 1.00 54.31 O ATOM 766 CB ILE A 76 -12.096 -5.274 -1.747 1.00 75.22 C ATOM 767 CG1 ILE A 76 -10.592 -4.966 -1.574 1.00 52.51 C ATOM 768 CG2 ILE A 76 -12.834 -4.083 -2.395 1.00 52.22 C ATOM 769 CD1 ILE A 76 -9.773 -5.337 -2.806 1.00 23.03 C ATOM 770 H ILE A 76 -14.817 -5.262 -0.310 1.00 0.00 H ATOM 771 N PHE A 77 -11.684 -5.093 1.677 1.00 11.01 N ATOM 772 CA PHE A 77 -11.402 -4.292 2.859 1.00 4.23 C ATOM 773 C PHE A 77 -9.891 -4.096 2.983 1.00 13.10 C ATOM 774 O PHE A 77 -9.133 -4.982 2.580 1.00 33.15 O ATOM 775 CB PHE A 77 -11.955 -5.025 4.088 1.00 22.22 C ATOM 776 CG PHE A 77 -13.448 -5.309 4.056 1.00 44.43 C ATOM 777 CD1 PHE A 77 -13.929 -6.487 3.451 1.00 50.14 C ATOM 778 CD2 PHE A 77 -14.356 -4.415 4.651 1.00 15.35 C ATOM 779 CE1 PHE A 77 -15.305 -6.771 3.446 1.00 15.44 C ATOM 780 CE2 PHE A 77 -15.732 -4.704 4.656 1.00 62.11 C ATOM 781 CZ PHE A 77 -16.207 -5.883 4.056 1.00 43.10 C ATOM 782 H PHE A 77 -11.161 -5.985 1.564 1.00 0.00 H ATOM 783 N LEU A 78 -9.461 -2.951 3.519 1.00 13.11 N ATOM 784 CA LEU A 78 -8.059 -2.596 3.733 1.00 71.13 C ATOM 785 C LEU A 78 -7.785 -2.499 5.219 1.00 12.43 C ATOM 786 O LEU A 78 -8.682 -2.177 6.002 1.00 22.34 O ATOM 787 CB LEU A 78 -7.696 -1.244 3.103 1.00 1.33 C ATOM 788 CG LEU A 78 -7.762 -1.223 1.580 1.00 54.35 C ATOM 789 CD1 LEU A 78 -7.355 0.151 1.063 1.00 32.11 C ATOM 790 CD2 LEU A 78 -6.881 -2.287 0.927 1.00 35.41 C ATOM 791 H LEU A 78 -10.180 -2.257 3.807 1.00 0.00 H ATOM 792 N PHE A 79 -6.524 -2.707 5.584 1.00 0.05 N ATOM 793 CA PHE A 79 -6.041 -2.675 6.955 1.00 20.22 C ATOM 794 C PHE A 79 -4.625 -2.099 6.958 1.00 5.24 C ATOM 795 O PHE A 79 -3.826 -2.381 6.056 1.00 70.44 O ATOM 796 CB PHE A 79 -6.066 -4.107 7.527 1.00 22.25 C ATOM 797 CG PHE A 79 -7.363 -4.855 7.262 1.00 31.14 C ATOM 798 CD1 PHE A 79 -7.513 -5.613 6.083 1.00 14.20 C ATOM 799 CD2 PHE A 79 -8.458 -4.712 8.135 1.00 61.31 C ATOM 800 CE1 PHE A 79 -8.746 -6.213 5.775 1.00 11.12 C ATOM 801 CE2 PHE A 79 -9.686 -5.330 7.836 1.00 41.44 C ATOM 802 CZ PHE A 79 -9.831 -6.088 6.660 1.00 11.21 C ATOM 803 H PHE A 79 -5.832 -2.907 4.834 1.00 0.00 H ATOM 804 N VAL A 80 -4.306 -1.262 7.937 1.00 25.11 N ATOM 805 CA VAL A 80 -2.999 -0.634 8.099 1.00 54.03 C ATOM 806 C VAL A 80 -2.723 -0.621 9.587 1.00 23.33 C ATOM 807 O VAL A 80 -3.621 -0.242 10.327 1.00 62.41 O ATOM 808 CB VAL A 80 -2.994 0.756 7.450 1.00 73.42 C ATOM 809 CG1 VAL A 80 -3.959 1.769 8.091 1.00 60.33 C ATOM 810 CG2 VAL A 80 -1.586 1.335 7.424 1.00 22.43 C ATOM 811 H VAL A 80 -5.040 -1.038 8.639 1.00 0.00 H ATOM 812 N ASP A 81 -1.564 -1.102 10.044 1.00 0.54 N ATOM 813 CA ASP A 81 -1.202 -1.134 11.467 1.00 55.30 C ATOM 814 C ASP A 81 -2.345 -1.661 12.342 1.00 10.50 C ATOM 815 O ASP A 81 -2.557 -1.190 13.463 1.00 73.23 O ATOM 816 CB ASP A 81 -0.729 0.257 11.933 1.00 43.20 C ATOM 817 CG ASP A 81 0.637 0.700 11.423 1.00 41.53 C ATOM 818 OD1 ASP A 81 0.980 0.492 10.243 1.00 75.22 O ATOM 819 OD2 ASP A 81 1.351 1.368 12.204 1.00 72.53 O ATOM 820 H ASP A 81 -0.880 -1.474 9.354 1.00 0.00 H ATOM 821 N LYS A 82 -3.101 -2.652 11.852 1.00 61.21 N ATOM 822 CA LYS A 82 -4.217 -3.260 12.573 1.00 23.31 C ATOM 823 C LYS A 82 -5.414 -2.314 12.764 1.00 2.53 C ATOM 824 O LYS A 82 -6.221 -2.538 13.669 1.00 63.13 O ATOM 825 CB LYS A 82 -3.668 -3.826 13.895 1.00 10.22 C ATOM 826 CG LYS A 82 -4.298 -5.134 14.354 1.00 74.21 C ATOM 827 CD LYS A 82 -3.841 -6.338 13.522 1.00 31.04 C ATOM 828 CE LYS A 82 -4.371 -7.625 14.161 1.00 73.43 C ATOM 829 NZ LYS A 82 -3.723 -8.837 13.620 1.00 55.04 N ATOM 830 HZ1 LYS A 82 -3.896 -8.894 12.596 1.00 0.00 H ATOM 831 HZ2 LYS A 82 -2.699 -8.790 13.798 1.00 0.00 H ATOM 832 HZ3 LYS A 82 -4.119 -9.678 14.087 1.00 0.00 H ATOM 833 H LYS A 82 -2.880 -3.010 10.901 1.00 0.00 H ATOM 834 N THR A 83 -5.563 -1.274 11.949 1.00 42.24 N ATOM 835 CA THR A 83 -6.645 -0.291 11.999 1.00 52.20 C ATOM 836 C THR A 83 -7.326 -0.147 10.634 1.00 13.31 C ATOM 837 O THR A 83 -6.847 -0.656 9.615 1.00 41.54 O ATOM 838 CB THR A 83 -6.170 1.081 12.523 1.00 51.35 C ATOM 839 OG1 THR A 83 -5.366 1.781 11.601 1.00 14.52 O ATOM 840 CG2 THR A 83 -5.398 0.986 13.830 1.00 52.12 C ATOM 841 HG1 THR A 83 -4.560 1.245 11.394 1.00 0.00 H ATOM 842 H THR A 83 -4.844 -1.148 11.208 1.00 0.00 H ATOM 843 N VAL A 84 -8.535 0.425 10.641 1.00 2.01 N ATOM 844 CA VAL A 84 -9.338 0.695 9.454 1.00 1.44 C ATOM 845 C VAL A 84 -9.137 2.196 9.200 1.00 70.44 C ATOM 846 O VAL A 84 -9.622 3.003 9.996 1.00 73.30 O ATOM 847 CB VAL A 84 -10.812 0.300 9.659 1.00 72.52 C ATOM 848 CG1 VAL A 84 -11.636 0.577 8.394 1.00 70.14 C ATOM 849 CG2 VAL A 84 -10.905 -1.193 10.015 1.00 42.11 C ATOM 850 H VAL A 84 -8.932 0.698 11.563 1.00 0.00 H ATOM 851 N PRO A 85 -8.393 2.605 8.161 1.00 14.22 N ATOM 852 CA PRO A 85 -8.158 4.013 7.893 1.00 63.42 C ATOM 853 C PRO A 85 -9.412 4.709 7.359 1.00 3.44 C ATOM 854 O PRO A 85 -10.257 4.118 6.671 1.00 14.13 O ATOM 855 CB PRO A 85 -6.993 4.047 6.905 1.00 21.31 C ATOM 856 CG PRO A 85 -7.108 2.721 6.160 1.00 74.40 C ATOM 857 CD PRO A 85 -7.762 1.771 7.157 1.00 32.34 C ATOM 858 N GLN A 86 -9.523 5.992 7.689 1.00 31.24 N ATOM 859 CA GLN A 86 -10.617 6.859 7.296 1.00 73.11 C ATOM 860 C GLN A 86 -10.447 7.207 5.822 1.00 44.21 C ATOM 861 O GLN A 86 -9.469 7.857 5.463 1.00 31.11 O ATOM 862 CB GLN A 86 -10.596 8.108 8.180 1.00 11.33 C ATOM 863 CG GLN A 86 -11.701 9.112 7.825 1.00 55.13 C ATOM 864 CD GLN A 86 -11.688 10.338 8.732 1.00 63.13 C ATOM 865 OE1 GLN A 86 -10.913 10.427 9.684 1.00 61.12 O ATOM 866 NE2 GLN A 86 -12.514 11.328 8.450 1.00 44.21 N ATOM 867 HE22 GLN A 86 -13.167 11.247 7.644 1.00 0.00 H ATOM 868 HE21 GLN A 86 -12.512 12.189 9.033 1.00 0.00 H ATOM 869 H GLN A 86 -8.768 6.405 8.273 1.00 0.00 H ATOM 870 N SER A 87 -11.403 6.822 4.980 1.00 0.22 N ATOM 871 CA SER A 87 -11.407 7.073 3.542 1.00 64.14 C ATOM 872 C SER A 87 -11.164 8.552 3.190 1.00 40.34 C ATOM 873 O SER A 87 -10.430 8.855 2.253 1.00 23.51 O ATOM 874 CB SER A 87 -12.725 6.532 2.980 1.00 34.42 C ATOM 875 OG SER A 87 -13.802 7.087 3.701 1.00 44.00 O ATOM 876 HG SER A 87 -14.655 6.738 3.339 1.00 0.00 H ATOM 877 H SER A 87 -12.211 6.301 5.378 1.00 0.00 H ATOM 878 N SER A 88 -11.723 9.484 3.957 1.00 13.35 N ATOM 879 CA SER A 88 -11.571 10.916 3.723 1.00 72.10 C ATOM 880 C SER A 88 -10.183 11.465 4.111 1.00 60.21 C ATOM 881 O SER A 88 -9.881 12.619 3.801 1.00 44.02 O ATOM 882 CB SER A 88 -12.688 11.575 4.528 1.00 4.53 C ATOM 883 OG SER A 88 -12.954 12.925 4.232 1.00 13.22 O ATOM 884 HG SER A 88 -12.141 13.465 4.399 1.00 0.00 H ATOM 885 H SER A 88 -12.299 9.176 4.766 1.00 0.00 H ATOM 886 N LEU A 89 -9.343 10.712 4.833 1.00 45.01 N ATOM 887 CA LEU A 89 -8.014 11.183 5.228 1.00 14.44 C ATOM 888 C LEU A 89 -7.118 11.297 3.988 1.00 32.42 C ATOM 889 O LEU A 89 -7.296 10.560 3.015 1.00 54.40 O ATOM 890 CB LEU A 89 -7.442 10.257 6.313 1.00 11.02 C ATOM 891 CG LEU A 89 -6.139 10.757 6.971 1.00 73.12 C ATOM 892 CD1 LEU A 89 -6.261 12.158 7.587 1.00 73.12 C ATOM 893 CD2 LEU A 89 -5.745 9.791 8.088 1.00 53.43 C ATOM 894 H LEU A 89 -9.645 9.760 5.123 1.00 0.00 H ATOM 895 N THR A 90 -6.155 12.216 4.012 1.00 60.43 N ATOM 896 CA THR A 90 -5.236 12.469 2.907 1.00 2.34 C ATOM 897 C THR A 90 -4.046 11.508 2.959 1.00 51.32 C ATOM 898 O THR A 90 -3.586 11.140 4.045 1.00 53.11 O ATOM 899 CB THR A 90 -4.763 13.943 2.935 1.00 32.50 C ATOM 900 OG1 THR A 90 -5.593 14.766 3.739 1.00 34.12 O ATOM 901 CG2 THR A 90 -4.771 14.533 1.526 1.00 42.44 C ATOM 902 HG1 THR A 90 -5.249 15.694 3.724 1.00 0.00 H ATOM 903 H THR A 90 -6.051 12.790 4.873 1.00 0.00 H ATOM 904 N MET A 91 -3.508 11.140 1.793 1.00 65.21 N ATOM 905 CA MET A 91 -2.368 10.237 1.673 1.00 71.11 C ATOM 906 C MET A 91 -1.167 10.767 2.443 1.00 11.41 C ATOM 907 O MET A 91 -0.553 10.006 3.193 1.00 21.00 O ATOM 908 CB MET A 91 -1.974 10.037 0.195 1.00 4.55 C ATOM 909 CG MET A 91 -2.705 8.916 -0.532 1.00 74.33 C ATOM 910 SD MET A 91 -2.503 7.276 0.188 1.00 61.41 S ATOM 911 CE MET A 91 -4.166 7.126 0.867 1.00 62.34 C ATOM 912 H MET A 91 -3.926 11.519 0.920 1.00 0.00 H ATOM 913 N GLY A 92 -0.843 12.053 2.272 1.00 61.31 N ATOM 914 CA GLY A 92 0.284 12.683 2.938 1.00 24.14 C ATOM 915 C GLY A 92 0.152 12.695 4.457 1.00 3.10 C ATOM 916 O GLY A 92 1.141 12.480 5.152 1.00 44.32 O ATOM 917 H GLY A 92 -1.425 12.630 1.632 1.00 0.00 H ATOM 918 N GLN A 93 -1.056 12.918 4.978 1.00 32.30 N ATOM 919 CA GLN A 93 -1.303 12.962 6.408 1.00 45.32 C ATOM 920 C GLN A 93 -1.112 11.588 7.023 1.00 1.20 C ATOM 921 O GLN A 93 -0.403 11.438 8.017 1.00 74.42 O ATOM 922 CB GLN A 93 -2.731 13.465 6.653 1.00 30.21 C ATOM 923 CG GLN A 93 -2.889 14.972 6.456 1.00 13.33 C ATOM 924 CD GLN A 93 -1.962 15.774 7.373 1.00 63.24 C ATOM 925 OE1 GLN A 93 -2.267 15.997 8.539 1.00 15.23 O ATOM 926 NE2 GLN A 93 -0.828 16.233 6.870 1.00 75.31 N ATOM 927 HE22 GLN A 93 -0.581 16.036 5.879 1.00 0.00 H ATOM 928 HE21 GLN A 93 -0.183 16.790 7.466 1.00 0.00 H ATOM 929 H GLN A 93 -1.856 13.067 4.331 1.00 0.00 H ATOM 930 N LEU A 94 -1.763 10.585 6.435 1.00 23.43 N ATOM 931 CA LEU A 94 -1.667 9.218 6.917 1.00 62.23 C ATOM 932 C LEU A 94 -0.219 8.748 6.799 1.00 4.54 C ATOM 933 O LEU A 94 0.248 7.997 7.639 1.00 64.24 O ATOM 934 CB LEU A 94 -2.699 8.343 6.188 1.00 14.13 C ATOM 935 CG LEU A 94 -2.660 6.860 6.610 1.00 71.15 C ATOM 936 CD1 LEU A 94 -4.055 6.230 6.513 1.00 14.24 C ATOM 937 CD2 LEU A 94 -1.726 6.007 5.745 1.00 10.13 C ATOM 938 H LEU A 94 -2.358 10.787 5.606 1.00 0.00 H ATOM 939 N TYR A 95 0.496 9.167 5.758 1.00 45.11 N ATOM 940 CA TYR A 95 1.882 8.796 5.565 1.00 35.23 C ATOM 941 C TYR A 95 2.716 9.416 6.672 1.00 24.33 C ATOM 942 O TYR A 95 3.373 8.679 7.385 1.00 72.53 O ATOM 943 CB TYR A 95 2.414 9.251 4.200 1.00 61.13 C ATOM 944 CG TYR A 95 3.912 9.057 4.002 1.00 4.53 C ATOM 945 CD1 TYR A 95 4.551 7.879 4.437 1.00 61.42 C ATOM 946 CD2 TYR A 95 4.675 10.066 3.381 1.00 53.55 C ATOM 947 CE1 TYR A 95 5.928 7.704 4.237 1.00 62.54 C ATOM 948 CE2 TYR A 95 6.049 9.885 3.149 1.00 12.10 C ATOM 949 CZ TYR A 95 6.686 8.701 3.581 1.00 53.01 C ATOM 950 OH TYR A 95 8.017 8.521 3.354 1.00 41.12 O ATOM 951 HH TYR A 95 8.297 7.645 3.719 1.00 0.00 H ATOM 952 H TYR A 95 0.042 9.785 5.056 1.00 0.00 H ATOM 953 N GLU A 96 2.694 10.738 6.847 1.00 23.34 N ATOM 954 CA GLU A 96 3.502 11.396 7.865 1.00 73.42 C ATOM 955 C GLU A 96 3.197 10.892 9.281 1.00 43.55 C ATOM 956 O GLU A 96 4.132 10.680 10.063 1.00 74.32 O ATOM 957 CB GLU A 96 3.363 12.921 7.756 1.00 42.04 C ATOM 958 CG GLU A 96 4.579 13.622 8.398 1.00 45.14 C ATOM 959 CD GLU A 96 4.212 14.848 9.232 1.00 63.33 C ATOM 960 OE1 GLU A 96 3.278 14.765 10.059 1.00 50.54 O ATOM 961 OE2 GLU A 96 4.935 15.870 9.164 1.00 71.43 O ATOM 962 H GLU A 96 2.081 11.317 6.238 1.00 0.00 H ATOM 963 N LYS A 97 1.919 10.688 9.627 1.00 32.51 N ATOM 964 CA LYS A 97 1.567 10.212 10.962 1.00 23.35 C ATOM 965 C LYS A 97 1.920 8.737 11.148 1.00 64.25 C ATOM 966 O LYS A 97 2.289 8.359 12.260 1.00 20.34 O ATOM 967 CB LYS A 97 0.124 10.596 11.342 1.00 73.03 C ATOM 968 CG LYS A 97 -0.980 9.671 10.826 1.00 42.04 C ATOM 969 CD LYS A 97 -1.313 8.501 11.765 1.00 22.23 C ATOM 970 CE LYS A 97 -1.994 8.882 13.078 1.00 2.20 C ATOM 971 NZ LYS A 97 -2.337 7.680 13.866 1.00 24.04 N ATOM 972 HZ1 LYS A 97 -2.984 7.080 13.316 1.00 0.00 H ATOM 973 HZ2 LYS A 97 -1.469 7.149 14.082 1.00 0.00 H ATOM 974 HZ3 LYS A 97 -2.798 7.968 14.752 1.00 0.00 H ATOM 975 H LYS A 97 1.166 10.872 8.934 1.00 0.00 H ATOM 976 N GLU A 98 1.839 7.911 10.097 1.00 72.34 N ATOM 977 CA GLU A 98 2.152 6.482 10.201 1.00 0.34 C ATOM 978 C GLU A 98 3.555 6.146 9.676 1.00 61.05 C ATOM 979 O GLU A 98 3.924 4.970 9.642 1.00 41.14 O ATOM 980 CB GLU A 98 1.072 5.625 9.517 1.00 4.12 C ATOM 981 CG GLU A 98 -0.354 5.945 10.001 1.00 3.14 C ATOM 982 CD GLU A 98 -1.423 4.907 9.668 1.00 11.53 C ATOM 983 OE1 GLU A 98 -1.071 3.711 9.545 1.00 61.44 O ATOM 984 OE2 GLU A 98 -2.621 5.293 9.699 1.00 73.41 O ATOM 985 H GLU A 98 1.544 8.296 9.177 1.00 0.00 H ATOM 986 N LYS A 99 4.366 7.154 9.335 1.00 15.42 N ATOM 987 CA LYS A 99 5.717 7.044 8.795 1.00 61.10 C ATOM 988 C LYS A 99 6.519 6.065 9.649 1.00 13.54 C ATOM 989 O LYS A 99 6.789 6.348 10.816 1.00 11.32 O ATOM 990 CB LYS A 99 6.285 8.473 8.734 1.00 13.42 C ATOM 991 CG LYS A 99 7.583 8.621 7.929 1.00 40.22 C ATOM 992 CD LYS A 99 8.806 8.569 8.842 1.00 12.53 C ATOM 993 CE LYS A 99 8.839 9.817 9.733 1.00 10.41 C ATOM 994 NZ LYS A 99 9.099 9.458 11.140 1.00 21.23 N ATOM 995 HZ1 LYS A 99 8.347 8.826 11.480 1.00 0.00 H ATOM 996 HZ2 LYS A 99 10.017 8.975 11.209 1.00 0.00 H ATOM 997 HZ3 LYS A 99 9.116 10.321 11.719 1.00 0.00 H ATOM 998 H LYS A 99 3.995 8.116 9.469 1.00 0.00 H ATOM 999 N ASP A 100 6.996 4.984 9.035 1.00 50.44 N ATOM 1000 CA ASP A 100 7.754 3.946 9.730 1.00 63.04 C ATOM 1001 C ASP A 100 9.239 4.291 9.869 1.00 3.33 C ATOM 1002 O ASP A 100 9.700 5.313 9.355 1.00 51.04 O ATOM 1003 CB ASP A 100 7.573 2.601 8.997 1.00 24.32 C ATOM 1004 CG ASP A 100 8.073 1.434 9.847 1.00 71.41 C ATOM 1005 OD1 ASP A 100 7.850 1.487 11.078 1.00 1.12 O ATOM 1006 OD2 ASP A 100 8.745 0.521 9.320 1.00 72.13 O ATOM 1007 H ASP A 100 6.821 4.874 8.016 1.00 0.00 H ATOM 1008 N GLU A 101 10.016 3.456 10.565 1.00 32.14 N ATOM 1009 CA GLU A 101 11.456 3.614 10.764 1.00 22.44 C ATOM 1010 C GLU A 101 12.186 3.662 9.408 1.00 3.14 C ATOM 1011 O GLU A 101 13.261 4.256 9.299 1.00 75.34 O ATOM 1012 CB GLU A 101 12.011 2.464 11.625 1.00 12.21 C ATOM 1013 CG GLU A 101 11.777 1.081 10.992 1.00 52.42 C ATOM 1014 CD GLU A 101 12.520 -0.066 11.666 1.00 73.22 C ATOM 1015 OE1 GLU A 101 13.628 0.144 12.218 1.00 11.21 O ATOM 1016 OE2 GLU A 101 12.030 -1.209 11.562 1.00 0.04 O ATOM 1017 H GLU A 101 9.561 2.628 11.000 1.00 0.00 H ATOM 1018 N ASP A 102 11.598 3.066 8.370 1.00 73.23 N ATOM 1019 CA ASP A 102 12.113 3.007 7.001 1.00 54.54 C ATOM 1020 C ASP A 102 11.393 4.010 6.093 1.00 54.24 C ATOM 1021 O ASP A 102 11.633 4.075 4.886 1.00 43.25 O ATOM 1022 CB ASP A 102 12.001 1.567 6.470 1.00 1.15 C ATOM 1023 CG ASP A 102 13.283 0.750 6.571 1.00 65.11 C ATOM 1024 OD1 ASP A 102 14.351 1.323 6.903 1.00 41.11 O ATOM 1025 OD2 ASP A 102 13.184 -0.459 6.288 1.00 55.41 O ATOM 1026 H ASP A 102 10.687 2.599 8.550 1.00 0.00 H ATOM 1027 N GLY A 103 10.513 4.835 6.666 1.00 42.14 N ATOM 1028 CA GLY A 103 9.740 5.840 5.957 1.00 43.33 C ATOM 1029 C GLY A 103 8.804 5.288 4.883 1.00 64.01 C ATOM 1030 O GLY A 103 8.587 5.973 3.885 1.00 72.41 O ATOM 1031 H GLY A 103 10.371 4.752 7.693 1.00 0.00 H ATOM 1032 N PHE A 104 8.301 4.059 5.022 1.00 62.05 N ATOM 1033 CA PHE A 104 7.372 3.427 4.079 1.00 41.24 C ATOM 1034 C PHE A 104 6.106 3.000 4.831 1.00 64.34 C ATOM 1035 O PHE A 104 6.106 3.011 6.064 1.00 52.03 O ATOM 1036 CB PHE A 104 8.035 2.259 3.333 1.00 50.31 C ATOM 1037 CG PHE A 104 7.967 0.942 4.080 1.00 22.03 C ATOM 1038 CD1 PHE A 104 7.010 -0.027 3.722 1.00 12.33 C ATOM 1039 CD2 PHE A 104 8.781 0.732 5.206 1.00 53.15 C ATOM 1040 CE1 PHE A 104 6.871 -1.196 4.485 1.00 22.01 C ATOM 1041 CE2 PHE A 104 8.635 -0.432 5.975 1.00 24.11 C ATOM 1042 CZ PHE A 104 7.672 -1.390 5.624 1.00 51.23 C ATOM 1043 H PHE A 104 8.588 3.511 5.858 1.00 0.00 H ATOM 1044 N LEU A 105 5.048 2.617 4.108 1.00 45.11 N ATOM 1045 CA LEU A 105 3.762 2.203 4.674 1.00 34.32 C ATOM 1046 C LEU A 105 3.406 0.779 4.221 1.00 74.32 C ATOM 1047 O LEU A 105 3.605 0.458 3.043 1.00 1.42 O ATOM 1048 CB LEU A 105 2.728 3.220 4.168 1.00 10.13 C ATOM 1049 CG LEU A 105 1.376 3.196 4.905 1.00 13.10 C ATOM 1050 CD1 LEU A 105 1.356 4.228 6.031 1.00 73.32 C ATOM 1051 CD2 LEU A 105 0.235 3.536 3.944 1.00 65.33 C ATOM 1052 H LEU A 105 5.145 2.613 3.073 1.00 0.00 H ATOM 1053 N TYR A 106 2.848 -0.049 5.115 1.00 34.50 N ATOM 1054 CA TYR A 106 2.444 -1.432 4.851 1.00 63.02 C ATOM 1055 C TYR A 106 0.918 -1.547 4.950 1.00 4.53 C ATOM 1056 O TYR A 106 0.333 -1.338 6.013 1.00 33.11 O ATOM 1057 CB TYR A 106 3.190 -2.417 5.776 1.00 62.11 C ATOM 1058 CG TYR A 106 2.973 -2.288 7.281 1.00 52.32 C ATOM 1059 CD1 TYR A 106 3.822 -1.484 8.065 1.00 53.32 C ATOM 1060 CD2 TYR A 106 1.959 -3.033 7.914 1.00 3.42 C ATOM 1061 CE1 TYR A 106 3.651 -1.419 9.461 1.00 74.34 C ATOM 1062 CE2 TYR A 106 1.783 -2.976 9.310 1.00 74.33 C ATOM 1063 CZ TYR A 106 2.628 -2.163 10.095 1.00 35.40 C ATOM 1064 OH TYR A 106 2.453 -2.134 11.449 1.00 65.23 O ATOM 1065 HH TYR A 106 3.118 -1.522 11.853 1.00 0.00 H ATOM 1066 H TYR A 106 2.689 0.320 6.074 1.00 0.00 H ATOM 1067 N VAL A 107 0.238 -1.870 3.850 1.00 50.21 N ATOM 1068 CA VAL A 107 -1.218 -1.997 3.799 1.00 12.20 C ATOM 1069 C VAL A 107 -1.566 -3.389 3.294 1.00 54.10 C ATOM 1070 O VAL A 107 -1.005 -3.873 2.310 1.00 34.24 O ATOM 1071 CB VAL A 107 -1.814 -0.871 2.933 1.00 21.55 C ATOM 1072 CG1 VAL A 107 -3.277 -1.125 2.535 1.00 52.03 C ATOM 1073 CG2 VAL A 107 -1.646 0.485 3.624 1.00 21.12 C ATOM 1074 H VAL A 107 0.775 -2.042 2.976 1.00 0.00 H ATOM 1075 N ALA A 108 -2.469 -4.066 3.988 1.00 54.32 N ATOM 1076 CA ALA A 108 -2.909 -5.399 3.626 1.00 74.34 C ATOM 1077 C ALA A 108 -4.374 -5.316 3.218 1.00 32.14 C ATOM 1078 O ALA A 108 -5.100 -4.452 3.726 1.00 32.05 O ATOM 1079 CB ALA A 108 -2.698 -6.346 4.804 1.00 14.13 C ATOM 1080 H ALA A 108 -2.882 -3.620 4.832 1.00 0.00 H ATOM 1081 N TYR A 109 -4.822 -6.214 2.342 1.00 4.53 N ATOM 1082 CA TYR A 109 -6.205 -6.245 1.888 1.00 1.55 C ATOM 1083 C TYR A 109 -6.767 -7.651 1.985 1.00 25.11 C ATOM 1084 O TYR A 109 -6.025 -8.631 1.886 1.00 23.14 O ATOM 1085 CB TYR A 109 -6.343 -5.693 0.460 1.00 14.54 C ATOM 1086 CG TYR A 109 -5.909 -6.597 -0.677 1.00 74.55 C ATOM 1087 CD1 TYR A 109 -6.838 -7.439 -1.325 1.00 43.41 C ATOM 1088 CD2 TYR A 109 -4.582 -6.548 -1.132 1.00 42.31 C ATOM 1089 CE1 TYR A 109 -6.437 -8.227 -2.420 1.00 64.52 C ATOM 1090 CE2 TYR A 109 -4.187 -7.313 -2.240 1.00 1.20 C ATOM 1091 CZ TYR A 109 -5.106 -8.163 -2.889 1.00 34.23 C ATOM 1092 OH TYR A 109 -4.701 -8.900 -3.960 1.00 52.52 O ATOM 1093 HH TYR A 109 -5.461 -9.438 -4.295 1.00 0.00 H ATOM 1094 H TYR A 109 -4.158 -6.921 1.968 1.00 0.00 H ATOM 1095 N SER A 110 -8.089 -7.732 2.118 1.00 61.02 N ATOM 1096 CA SER A 110 -8.804 -8.988 2.205 1.00 52.43 C ATOM 1097 C SER A 110 -10.095 -8.865 1.407 1.00 0.14 C ATOM 1098 O SER A 110 -10.654 -7.775 1.277 1.00 12.12 O ATOM 1099 CB SER A 110 -9.147 -9.329 3.663 1.00 41.35 C ATOM 1100 OG SER A 110 -8.049 -9.260 4.547 1.00 32.43 O ATOM 1101 HG SER A 110 -8.348 -9.492 5.462 1.00 0.00 H ATOM 1102 H SER A 110 -8.636 -6.848 2.162 1.00 0.00 H ATOM 1103 N GLY A 111 -10.616 -10.000 0.944 1.00 43.15 N ATOM 1104 CA GLY A 111 -11.852 -10.093 0.172 1.00 13.40 C ATOM 1105 C GLY A 111 -12.970 -10.735 0.983 1.00 34.31 C ATOM 1106 O GLY A 111 -13.831 -11.412 0.413 1.00 10.30 O ATOM 1107 H GLY A 111 -10.106 -10.883 1.147 1.00 0.00 H ATOM 1108 N GLU A 112 -12.889 -10.595 2.306 1.00 72.33 N ATOM 1109 CA GLU A 112 -13.792 -11.098 3.319 1.00 60.12 C ATOM 1110 C GLU A 112 -13.849 -10.035 4.415 1.00 42.42 C ATOM 1111 O GLU A 112 -12.883 -9.291 4.612 1.00 0.42 O ATOM 1112 CB GLU A 112 -13.255 -12.432 3.877 1.00 62.23 C ATOM 1113 CG GLU A 112 -11.957 -12.276 4.699 1.00 54.32 C ATOM 1114 CD GLU A 112 -11.196 -13.580 4.925 1.00 35.53 C ATOM 1115 OE1 GLU A 112 -11.820 -14.662 4.948 1.00 62.03 O ATOM 1116 OE2 GLU A 112 -9.946 -13.520 5.033 1.00 34.54 O ATOM 1117 H GLU A 112 -12.072 -10.055 2.655 1.00 0.00 H ATOM 1118 N ASN A 113 -14.967 -9.972 5.133 1.00 22.13 N ATOM 1119 CA ASN A 113 -15.164 -9.016 6.224 1.00 10.14 C ATOM 1120 C ASN A 113 -14.686 -9.578 7.568 1.00 62.44 C ATOM 1121 O ASN A 113 -14.264 -8.830 8.455 1.00 31.40 O ATOM 1122 CB ASN A 113 -16.651 -8.674 6.315 1.00 62.13 C ATOM 1123 CG ASN A 113 -16.940 -7.739 7.481 1.00 51.44 C ATOM 1124 OD1 ASN A 113 -16.448 -6.616 7.530 1.00 0.12 O ATOM 1125 ND2 ASN A 113 -17.730 -8.184 8.439 1.00 61.10 N ATOM 1126 HD22 ASN A 113 -18.136 -9.139 8.376 1.00 0.00 H ATOM 1127 HD21 ASN A 113 -17.947 -7.579 9.257 1.00 0.00 H ATOM 1128 H ASN A 113 -15.738 -10.633 4.909 1.00 0.00 H ATOM 1129 N THR A 114 -14.727 -10.901 7.717 1.00 0.53 N ATOM 1130 CA THR A 114 -14.323 -11.606 8.919 1.00 74.41 C ATOM 1131 C THR A 114 -13.172 -12.523 8.531 1.00 42.43 C ATOM 1132 O THR A 114 -13.349 -13.520 7.829 1.00 73.34 O ATOM 1133 CB THR A 114 -15.540 -12.330 9.532 1.00 64.23 C ATOM 1134 OG1 THR A 114 -16.515 -12.648 8.545 1.00 45.50 O ATOM 1135 CG2 THR A 114 -16.229 -11.421 10.550 1.00 74.03 C ATOM 1136 HG1 THR A 114 -17.278 -13.110 8.974 1.00 0.00 H ATOM 1137 H THR A 114 -15.072 -11.468 6.916 1.00 0.00 H ATOM 1138 N PHE A 115 -11.983 -12.152 8.989 1.00 5.53 N ATOM 1139 CA PHE A 115 -10.732 -12.857 8.751 1.00 54.25 C ATOM 1140 C PHE A 115 -10.573 -14.068 9.678 1.00 20.11 C ATOM 1141 O PHE A 115 -9.523 -14.714 9.657 1.00 72.12 O ATOM 1142 CB PHE A 115 -9.608 -11.840 9.034 1.00 2.23 C ATOM 1143 CG PHE A 115 -9.696 -11.213 10.422 1.00 35.01 C ATOM 1144 CD1 PHE A 115 -9.354 -11.956 11.572 1.00 13.34 C ATOM 1145 CD2 PHE A 115 -10.246 -9.924 10.576 1.00 52.30 C ATOM 1146 CE1 PHE A 115 -9.608 -11.436 12.852 1.00 34.14 C ATOM 1147 CE2 PHE A 115 -10.479 -9.403 11.860 1.00 51.40 C ATOM 1148 CZ PHE A 115 -10.162 -10.156 13.001 1.00 13.22 C ATOM 1149 H PHE A 115 -11.942 -11.287 9.565 1.00 0.00 H ATOM 1150 N GLY A 116 -11.618 -14.405 10.429 1.00 63.33 N ATOM 1151 CA GLY A 116 -11.737 -15.465 11.403 1.00 3.54 C ATOM 1152 C GLY A 116 -12.589 -14.870 12.506 1.00 4.51 C ATOM 1153 O GLY A 116 -12.333 -15.175 13.684 1.00 31.55 O ATOM 1154 H GLY A 116 -12.470 -13.823 10.296 1.00 0.00 H TER 1155 GLY A 116 HETATM 1156 N GLY A 1 26.343 -2.341 2.030 1.00 0.24 N HETATM 1157 CA GLY A 1 26.244 -1.281 1.027 1.00 0.05 C HETATM 1158 C GLY A 1 25.861 -1.868 -0.309 1.00 0.22 C HETATM 1159 O GLY A 1 26.632 -2.653 -0.866 1.00 -0.39 O HETATM 1160 N GLY A 1 24.700 -1.465 -0.832 1.00 -0.26 N HETATM 1161 CA GLY A 1 24.131 -1.891 -2.100 1.00 0.13 C HETATM 1162 C GLY A 1 24.322 -3.389 -2.341 1.00 0.20 C HETATM 1163 O GLY A 1 24.983 -3.804 -3.297 1.00 -0.39 O HETATM 1164 N GLY A 1 23.769 -4.218 -1.458 1.00 -0.26 N HETATM 1165 CA GLY A 1 23.850 -5.675 -1.550 1.00 0.13 C HETATM 1166 C GLY A 1 22.767 -6.179 -2.510 1.00 0.20 C HETATM 1167 O GLY A 1 21.993 -7.081 -2.195 1.00 -0.39 O HETATM 1168 N GLY A 1 22.682 -5.547 -3.675 1.00 -0.26 N HETATM 1169 CA GLY A 1 21.778 -5.762 -4.799 1.00 0.13 C HETATM 1170 C GLY A 1 22.118 -7.088 -5.505 1.00 0.20 C HETATM 1171 O GLY A 1 22.534 -7.090 -6.664 1.00 -0.39 O HETATM 1172 N GLY A 1 22.189 -8.182 -4.742 1.00 -0.26 N HETATM 1173 CA GLY A 1 22.499 -9.524 -5.216 1.00 0.13 C HETATM 1174 C GLY A 1 21.639 -9.898 -6.425 1.00 0.20 C HETATM 1175 O GLY A 1 20.460 -9.576 -6.485 1.00 -0.39 O HETATM 1176 N GLY A 1 22.218 -10.647 -7.363 1.00 -0.26 N HETATM 1177 CA GLY A 1 21.521 -11.094 -8.571 1.00 0.13 C HETATM 1178 C GLY A 1 20.502 -12.212 -8.260 1.00 0.20 C HETATM 1179 O GLY A 1 19.821 -12.707 -9.158 1.00 -0.39 O HETATM 1180 N GLY A 1 20.397 -12.617 -6.990 1.00 -0.26 N HETATM 1181 CA GLY A 1 19.539 -13.668 -6.468 1.00 0.14 C HETATM 1182 C GLY A 1 18.278 -13.136 -5.762 1.00 0.21 C HETATM 1183 O GLY A 1 17.765 -13.807 -4.865 1.00 -0.39 O HETATM 1184 N GLY A 1 17.779 -11.943 -6.112 1.00 -0.26 N HETATM 1185 CA GLY A 1 16.569 -11.368 -5.509 1.00 0.13 C HETATM 1186 C GLY A 1 15.415 -12.373 -5.637 1.00 0.20 C HETATM 1187 O GLY A 1 15.125 -12.828 -6.751 1.00 -0.39 O HETATM 1188 N GLY A 1 14.767 -12.768 -4.537 1.00 -0.26 N HETATM 1189 CA GLY A 1 13.641 -13.702 -4.603 1.00 0.14 C HETATM 1190 C GLY A 1 12.369 -12.910 -4.901 1.00 0.21 C HETATM 1191 O GLY A 1 11.670 -13.185 -5.875 1.00 -0.39 O HETATM 1192 N GLY A 1 12.033 -11.965 -4.023 1.00 -0.26 N HETATM 1193 CA GLY A 1 10.861 -11.100 -4.145 1.00 0.15 C HETATM 1194 C GLY A 1 11.300 -9.942 -5.041 1.00 0.21 C HETATM 1195 O GLY A 1 12.244 -9.249 -4.667 1.00 -0.39 O HETATM 1196 N GLY A 1 10.627 -9.707 -6.167 1.00 -0.26 N HETATM 1197 CA GLY A 1 11.010 -8.643 -7.098 1.00 0.13 C HETATM 1198 C GLY A 1 10.832 -7.198 -6.592 1.00 0.20 C HETATM 1199 O GLY A 1 11.831 -6.499 -6.467 1.00 -0.39 O HETATM 1200 N GLY A 1 9.613 -6.733 -6.268 1.00 -0.26 N HETATM 1201 CA GLY A 1 9.352 -5.365 -5.795 1.00 0.14 C HETATM 1202 C GLY A 1 9.603 -4.316 -6.891 1.00 0.20 C HETATM 1203 O GLY A 1 10.470 -3.451 -6.756 1.00 -0.39 O HETATM 1204 N GLY A 1 8.801 -4.357 -7.962 1.00 -0.27 N HETATM 1205 CA GLY A 1 8.920 -3.426 -9.083 1.00 0.12 C HETATM 1206 C GLY A 1 8.209 -2.121 -8.751 1.00 0.20 C HETATM 1207 O GLY A 1 7.134 -2.151 -8.155 1.00 -0.39 O HETATM 1208 N GLY A 1 8.789 -0.974 -9.105 1.00 -0.26 N HETATM 1209 CA GLY A 1 8.206 0.338 -8.825 1.00 0.13 C HETATM 1210 C GLY A 1 7.042 0.641 -9.767 1.00 0.20 C HETATM 1211 O GLY A 1 7.177 0.520 -10.987 1.00 -0.39 O HETATM 1212 N GLY A 1 5.945 1.145 -9.203 1.00 -0.26 N HETATM 1213 CA GLY A 1 4.757 1.507 -9.954 1.00 0.13 C HETATM 1214 C GLY A 1 4.127 2.802 -9.424 1.00 0.20 C HETATM 1215 O GLY A 1 3.704 2.877 -8.268 1.00 -0.39 O HETATM 1216 N GLY A 1 4.130 3.865 -10.235 1.00 -0.26 N HETATM 1217 CA GLY A 1 3.538 5.151 -9.873 1.00 0.13 C HETATM 1218 C GLY A 1 2.055 5.013 -10.166 1.00 0.20 C HETATM 1219 O GLY A 1 1.699 4.730 -11.308 1.00 -0.39 O HETATM 1220 N GLY A 1 1.205 5.170 -9.158 1.00 -0.26 N HETATM 1221 CA GLY A 1 -0.239 5.055 -9.302 1.00 0.13 C HETATM 1222 C GLY A 1 -0.906 6.354 -8.845 1.00 0.20 C HETATM 1223 O GLY A 1 -0.404 7.004 -7.926 1.00 -0.39 O HETATM 1224 N GLY A 1 -1.968 6.784 -9.522 1.00 -0.26 N HETATM 1225 CA GLY A 1 -2.755 7.971 -9.205 1.00 0.15 C HETATM 1226 C GLY A 1 -4.099 7.845 -9.922 1.00 0.21 C HETATM 1227 O GLY A 1 -4.161 7.203 -10.973 1.00 -0.39 O HETATM 1228 N GLY A 1 -5.167 8.398 -9.352 1.00 -0.27 N HETATM 1229 CA GLY A 1 -6.532 8.425 -9.868 1.00 0.10 C HETATM 1230 C GLY A 1 -7.326 9.259 -8.868 1.00 0.06 C HETATM 1231 O GLY A 1 -6.750 10.258 -8.390 1.00 -0.57 O HETATM 1232 OXT GLY A 1 -8.485 8.872 -8.612 1.00 -0.57 O HETATM 1233 CB GLY A 1 -7.128 7.023 -10.117 1.00 -0.01 C HETATM 1234 CG GLY A 1 -7.953 7.013 -11.403 1.00 0.00 C HETATM 1235 CD GLY A 1 -8.861 5.788 -11.495 1.00 0.04 C HETATM 1236 OE1 GLY A 1 -8.381 4.630 -11.492 1.00 -0.57 O HETATM 1237 OE2 GLY A 1 -10.104 5.956 -11.520 1.00 -0.57 O HETATM 1238 H136 GLY A 1 -7.268 7.012 -12.264 1.00 0.04 H HETATM 1239 H137 GLY A 1 -8.576 7.919 -11.431 1.00 0.04 H HETATM 1240 H134 GLY A 1 -7.774 6.749 -9.270 1.00 0.03 H HETATM 1241 H135 GLY A 1 -6.310 6.293 -10.206 1.00 0.03 H HETATM 1242 H133 GLY A 1 -6.530 8.948 -10.836 1.00 0.07 H HETATM 1243 H132 GLY A 1 -5.017 8.846 -8.470 1.00 0.19 H HETATM 1244 CB GLY A 1 -2.010 9.269 -9.550 1.00 0.08 C HETATM 1245 OG GLY A 1 -1.258 9.181 -10.755 1.00 -0.39 O HETATM 1246 H131 GLY A 1 -0.821 10.009 -10.916 1.00 0.21 H HETATM 1247 H129 GLY A 1 -1.322 9.507 -8.725 1.00 0.06 H HETATM 1248 H130 GLY A 1 -2.748 10.078 -9.657 1.00 0.06 H HETATM 1249 H128 GLY A 1 -2.944 7.981 -8.121 1.00 0.08 H HETATM 1250 H127 GLY A 1 -2.251 6.247 -10.317 1.00 0.19 H HETATM 1251 CB GLY A 1 -0.681 3.792 -8.534 1.00 -0.01 C HETATM 1252 CG1 GLY A 1 -2.199 3.623 -8.521 1.00 -0.06 C HETATM 1253 H121 GLY A 1 -2.462 2.712 -7.963 1.00 0.02 H HETATM 1254 H122 GLY A 1 -2.568 3.540 -9.554 1.00 0.02 H HETATM 1255 H123 GLY A 1 -2.661 4.496 -8.036 1.00 0.02 H HETATM 1256 CG2 GLY A 1 -0.068 2.534 -9.176 1.00 -0.06 C HETATM 1257 H124 GLY A 1 1.028 2.630 -9.198 1.00 0.02 H HETATM 1258 H125 GLY A 1 -0.447 2.425 -10.203 1.00 0.02 H HETATM 1259 H126 GLY A 1 -0.347 1.648 -8.586 1.00 0.02 H HETATM 1260 H120 GLY A 1 -0.326 3.877 -7.496 1.00 0.03 H HETATM 1261 H119 GLY A 1 -0.485 4.911 -10.364 1.00 0.08 H HETATM 1262 H118 GLY A 1 1.576 5.378 -8.253 1.00 0.19 H HETATM 1263 CB GLY A 1 4.091 6.319 -10.707 1.00 -0.01 C HETATM 1264 CG GLY A 1 5.379 6.925 -10.137 1.00 -0.04 C HETATM 1265 CD1 GLY A 1 6.573 5.988 -10.335 1.00 -0.06 C HETATM 1266 H112 GLY A 1 7.477 6.453 -9.916 1.00 0.02 H HETATM 1267 H113 GLY A 1 6.720 5.803 -11.409 1.00 0.02 H HETATM 1268 H114 GLY A 1 6.380 5.034 -9.822 1.00 0.02 H HETATM 1269 CD2 GLY A 1 5.650 8.270 -10.814 1.00 -0.06 C HETATM 1270 H115 GLY A 1 4.787 8.935 -10.666 1.00 0.02 H HETATM 1271 H116 GLY A 1 5.811 8.113 -11.891 1.00 0.02 H HETATM 1272 H117 GLY A 1 6.547 8.729 -10.372 1.00 0.02 H HETATM 1273 H111 GLY A 1 5.241 7.091 -9.058 1.00 0.03 H HETATM 1274 H109 GLY A 1 3.326 7.108 -10.751 1.00 0.03 H HETATM 1275 H110 GLY A 1 4.299 5.953 -11.723 1.00 0.03 H HETATM 1276 H108 GLY A 1 3.708 5.354 -8.805 1.00 0.08 H HETATM 1277 H107 GLY A 1 4.559 3.776 -11.134 1.00 0.19 H HETATM 1278 CB GLY A 1 3.768 0.331 -9.943 1.00 -0.00 C HETATM 1279 CG GLY A 1 3.018 0.249 -11.275 1.00 0.00 C HETATM 1280 CD GLY A 1 3.933 -0.218 -12.411 1.00 0.04 C HETATM 1281 OE1 GLY A 1 4.242 -1.432 -12.491 1.00 -0.57 O HETATM 1282 OE2 GLY A 1 4.315 0.626 -13.258 1.00 -0.57 O HETATM 1283 H105 GLY A 1 2.621 1.245 -11.523 1.00 0.04 H HETATM 1284 H106 GLY A 1 2.185 -0.462 -11.172 1.00 0.04 H HETATM 1285 H103 GLY A 1 3.043 0.475 -9.128 1.00 0.03 H HETATM 1286 H104 GLY A 1 4.321 -0.606 -9.781 1.00 0.03 H HETATM 1287 H102 GLY A 1 5.056 1.688 -10.997 1.00 0.08 H HETATM 1288 H101 GLY A 1 5.940 1.281 -8.212 1.00 0.19 H HETATM 1289 CB GLY A 1 9.263 1.461 -8.940 1.00 -0.00 C HETATM 1290 CG1 GLY A 1 10.518 1.116 -8.119 1.00 -0.05 C HETATM 1291 CD1 GLY A 1 11.568 2.220 -8.140 1.00 -0.06 C HETATM 1292 H98 GLY A 1 12.435 1.913 -7.537 1.00 0.02 H HETATM 1293 H99 GLY A 1 11.139 3.142 -7.721 1.00 0.02 H HETATM 1294 H100 GLY A 1 11.888 2.402 -9.177 1.00 0.02 H HETATM 1295 H93 GLY A 1 10.965 0.200 -8.531 1.00 0.03 H HETATM 1296 H94 GLY A 1 10.216 0.940 -7.076 1.00 0.03 H HETATM 1297 CG2 GLY A 1 8.664 2.800 -8.455 1.00 -0.06 C HETATM 1298 H95 GLY A 1 7.768 3.037 -9.048 1.00 0.02 H HETATM 1299 H96 GLY A 1 9.408 3.601 -8.579 1.00 0.02 H HETATM 1300 H97 GLY A 1 8.389 2.716 -7.393 1.00 0.02 H HETATM 1301 H92 GLY A 1 9.552 1.565 -9.996 1.00 0.03 H HETATM 1302 H91 GLY A 1 7.824 0.326 -7.794 1.00 0.08 H HETATM 1303 H90 GLY A 1 9.665 -1.012 -9.585 1.00 0.19 H HETATM 1304 H88 GLY A 1 8.463 -3.873 -9.978 1.00 0.08 H HETATM 1305 H89 GLY A 1 9.983 -3.223 -9.277 1.00 0.08 H HETATM 1306 H87 GLY A 1 8.088 -5.057 -7.997 1.00 0.19 H HETATM 1307 CB GLY A 1 10.053 -5.046 -4.467 1.00 0.00 C HETATM 1308 CG GLY A 1 9.782 -5.966 -3.324 1.00 -0.04 C HETATM 1309 CD1 GLY A 1 10.690 -6.798 -2.776 1.00 0.02 C HETATM 1310 NE1 GLY A 1 10.106 -7.484 -1.732 1.00 -0.29 N HETATM 1311 CE2 GLY A 1 8.748 -7.264 -1.680 1.00 0.06 C HETATM 1312 CD2 GLY A 1 8.529 -6.215 -2.619 1.00 -0.02 C HETATM 1313 CE3 GLY A 1 7.219 -5.699 -2.706 1.00 -0.07 C HETATM 1314 CZ3 GLY A 1 6.168 -6.251 -1.951 1.00 -0.08 C HETATM 1315 CH2 GLY A 1 6.401 -7.333 -1.084 1.00 -0.08 C HETATM 1316 CZ2 GLY A 1 7.703 -7.838 -0.942 1.00 -0.04 C HETATM 1317 H84 GLY A 1 7.899 -8.664 -0.268 1.00 0.05 H HETATM 1318 H86 GLY A 1 5.581 -7.774 -0.529 1.00 0.05 H HETATM 1319 H85 GLY A 1 5.170 -5.838 -2.038 1.00 0.05 H HETATM 1320 H83 GLY A 1 7.019 -4.863 -3.366 1.00 0.05 H HETATM 1321 H82 GLY A 1 10.621 -8.086 -1.074 1.00 0.22 H HETATM 1322 H81 GLY A 1 11.722 -6.911 -3.106 1.00 0.08 H HETATM 1323 H79 GLY A 1 9.743 -4.036 -4.162 1.00 0.04 H HETATM 1324 H80 GLY A 1 11.137 -5.056 -4.652 1.00 0.04 H HETATM 1325 H78 GLY A 1 8.274 -5.321 -5.579 1.00 0.08 H HETATM 1326 H77 GLY A 1 8.835 -7.356 -6.354 1.00 0.19 H HETATM 1327 CB GLY A 1 10.334 -8.866 -8.455 1.00 -0.00 C HETATM 1328 CG GLY A 1 10.731 -10.203 -9.105 1.00 0.00 C HETATM 1329 CD GLY A 1 10.323 -10.262 -10.576 1.00 0.04 C HETATM 1330 OE1 GLY A 1 9.146 -10.578 -10.882 1.00 -0.57 O HETATM 1331 OE2 GLY A 1 11.173 -9.984 -11.451 1.00 -0.57 O HETATM 1332 H75 GLY A 1 10.235 -11.023 -8.565 1.00 0.04 H HETATM 1333 H76 GLY A 1 11.822 -10.324 -9.033 1.00 0.04 H HETATM 1334 H73 GLY A 1 10.623 -8.047 -9.130 1.00 0.03 H HETATM 1335 H74 GLY A 1 9.244 -8.855 -8.311 1.00 0.03 H HETATM 1336 H72 GLY A 1 12.091 -8.764 -7.262 1.00 0.08 H HETATM 1337 H71 GLY A 1 9.834 -10.276 -6.384 1.00 0.19 H HETATM 1338 CB GLY A 1 10.460 -10.510 -2.787 1.00 0.08 C HETATM 1339 CG GLY A 1 9.822 -11.413 -1.740 1.00 0.18 C HETATM 1340 OD1 GLY A 1 8.796 -11.070 -1.166 1.00 -0.40 O HETATM 1341 ND2 GLY A 1 10.395 -12.556 -1.414 1.00 -0.30 N HETATM 1342 H69 GLY A 1 9.975 -13.148 -0.726 1.00 0.18 H HETATM 1343 H70 GLY A 1 11.250 -12.831 -1.855 1.00 0.18 H HETATM 1344 H67 GLY A 1 9.746 -9.698 -2.988 1.00 0.06 H HETATM 1345 H68 GLY A 1 11.373 -10.092 -2.337 1.00 0.06 H HETATM 1346 H66 GLY A 1 10.016 -11.650 -4.585 1.00 0.08 H HETATM 1347 H65 GLY A 1 12.623 -11.839 -3.226 1.00 0.19 H HETATM 1348 CB GLY A 1 13.463 -14.506 -3.314 1.00 0.04 C HETATM 1349 CG GLY A 1 12.152 -15.280 -3.378 1.00 0.04 C HETATM 1350 OD1 GLY A 1 12.063 -16.297 -4.100 1.00 -0.57 O HETATM 1351 OD2 GLY A 1 11.163 -14.816 -2.770 1.00 -0.57 O HETATM 1352 H63 GLY A 1 13.443 -13.821 -2.454 1.00 0.05 H HETATM 1353 H64 GLY A 1 14.300 -15.211 -3.202 1.00 0.05 H HETATM 1354 H62 GLY A 1 13.824 -14.409 -5.426 1.00 0.08 H HETATM 1355 H61 GLY A 1 15.058 -12.417 -3.647 1.00 0.19 H HETATM 1356 CB GLY A 1 16.123 -10.085 -6.239 1.00 -0.00 C HETATM 1357 CG GLY A 1 17.040 -8.865 -6.103 1.00 0.00 C HETATM 1358 CD GLY A 1 16.471 -7.678 -6.889 1.00 0.04 C HETATM 1359 OE1 GLY A 1 15.950 -6.722 -6.277 1.00 -0.57 O HETATM 1360 OE2 GLY A 1 16.510 -7.706 -8.149 1.00 -0.57 O HETATM 1361 H59 GLY A 1 18.037 -9.115 -6.496 1.00 0.04 H HETATM 1362 H60 GLY A 1 17.122 -8.590 -5.041 1.00 0.04 H HETATM 1363 H57 GLY A 1 15.134 -9.805 -5.847 1.00 0.03 H HETATM 1364 H58 GLY A 1 16.040 -10.322 -7.310 1.00 0.03 H HETATM 1365 H56 GLY A 1 16.763 -11.144 -4.450 1.00 0.08 H HETATM 1366 H55 GLY A 1 18.253 -11.418 -6.819 1.00 0.19 H HETATM 1367 CB GLY A 1 20.428 -14.550 -5.565 1.00 0.04 C HETATM 1368 CG GLY A 1 19.900 -15.934 -5.287 1.00 0.06 C HETATM 1369 ND1 GLY A 1 19.747 -16.513 -4.049 1.00 -0.26 N HETATM 1370 CE1 GLY A 1 19.276 -17.757 -4.228 1.00 0.09 C HETATM 1371 NE2 GLY A 1 19.124 -18.015 -5.540 1.00 -0.34 N HETATM 1372 CD2 GLY A 1 19.538 -16.863 -6.220 1.00 -0.03 C HETATM 1373 H53 GLY A 1 19.566 -16.731 -7.301 1.00 0.03 H HETATM 1374 H54 GLY A 1 19.049 -18.458 -3.426 1.00 0.11 H HETATM 1375 H52 GLY A 1 19.957 -16.070 -3.143 1.00 0.24 H HETATM 1376 H50 GLY A 1 20.550 -14.034 -4.601 1.00 0.05 H HETATM 1377 H51 GLY A 1 21.409 -14.653 -6.052 1.00 0.05 H HETATM 1378 H49 GLY A 1 19.195 -14.281 -7.314 1.00 0.08 H HETATM 1379 H48 GLY A 1 20.974 -12.143 -6.324 1.00 0.19 H HETATM 1380 CB GLY A 1 22.555 -11.475 -9.667 1.00 -0.00 C HETATM 1381 CG1 GLY A 1 23.413 -12.741 -9.430 1.00 -0.05 C HETATM 1382 CD1 GLY A 1 22.688 -14.081 -9.593 1.00 -0.06 C HETATM 1383 H45 GLY A 1 23.392 -14.904 -9.402 1.00 0.02 H HETATM 1384 H46 GLY A 1 22.296 -14.164 -10.618 1.00 0.02 H HETATM 1385 H47 GLY A 1 21.855 -14.137 -8.877 1.00 0.02 H HETATM 1386 H40 GLY A 1 23.807 -12.694 -8.404 1.00 0.03 H HETATM 1387 H41 GLY A 1 24.248 -12.721 -10.145 1.00 0.03 H HETATM 1388 CG2 GLY A 1 23.549 -10.311 -9.883 1.00 -0.06 C HETATM 1389 H42 GLY A 1 22.991 -9.380 -10.057 1.00 0.02 H HETATM 1390 H43 GLY A 1 24.183 -10.527 -10.756 1.00 0.02 H HETATM 1391 H44 GLY A 1 24.181 -10.198 -8.990 1.00 0.02 H HETATM 1392 H39 GLY A 1 21.986 -11.634 -10.595 1.00 0.03 H HETATM 1393 H38 GLY A 1 20.945 -10.239 -8.955 1.00 0.08 H HETATM 1394 H37 GLY A 1 23.173 -10.916 -7.236 1.00 0.19 H HETATM 1395 CB GLY A 1 22.338 -10.557 -4.071 1.00 -0.00 C HETATM 1396 CG1 GLY A 1 20.927 -10.554 -3.433 1.00 -0.05 C HETATM 1397 CD1 GLY A 1 20.714 -11.642 -2.377 1.00 -0.06 C HETATM 1398 H34 GLY A 1 19.692 -11.569 -1.977 1.00 0.02 H HETATM 1399 H35 GLY A 1 21.438 -11.507 -1.560 1.00 0.02 H HETATM 1400 H36 GLY A 1 20.859 -12.631 -2.835 1.00 0.02 H HETATM 1401 H29 GLY A 1 20.186 -10.700 -4.233 1.00 0.03 H HETATM 1402 H30 GLY A 1 20.765 -9.575 -2.958 1.00 0.03 H HETATM 1403 CG2 GLY A 1 23.436 -10.330 -3.020 1.00 -0.06 C HETATM 1404 H31 GLY A 1 24.421 -10.339 -3.510 1.00 0.02 H HETATM 1405 H32 GLY A 1 23.394 -11.131 -2.267 1.00 0.02 H HETATM 1406 H33 GLY A 1 23.279 -9.358 -2.530 1.00 0.02 H HETATM 1407 H28 GLY A 1 22.491 -11.556 -4.505 1.00 0.03 H HETATM 1408 H27 GLY A 1 23.551 -9.535 -5.536 1.00 0.08 H HETATM 1409 H26 GLY A 1 22.015 -8.070 -3.764 1.00 0.19 H HETATM 1410 CB GLY A 1 21.825 -4.536 -5.736 1.00 -0.00 C HETATM 1411 CG GLY A 1 21.682 -3.164 -5.052 1.00 0.00 C HETATM 1412 CD GLY A 1 20.459 -3.021 -4.142 1.00 0.04 C HETATM 1413 OE1 GLY A 1 19.458 -2.405 -4.572 1.00 -0.57 O HETATM 1414 OE2 GLY A 1 20.527 -3.431 -2.955 1.00 -0.57 O HETATM 1415 H24 GLY A 1 21.615 -2.396 -5.837 1.00 0.04 H HETATM 1416 H25 GLY A 1 22.582 -2.990 -4.444 1.00 0.04 H HETATM 1417 H22 GLY A 1 21.007 -4.637 -6.465 1.00 0.03 H HETATM 1418 H23 GLY A 1 22.790 -4.551 -6.263 1.00 0.03 H HETATM 1419 H21 GLY A 1 20.753 -5.846 -4.409 1.00 0.08 H HETATM 1420 H20 GLY A 1 23.342 -4.807 -3.801 1.00 0.19 H HETATM 1421 CB GLY A 1 23.762 -6.293 -0.150 1.00 -0.00 C HETATM 1422 CG GLY A 1 24.964 -5.842 0.687 1.00 -0.00 C HETATM 1423 SD GLY A 1 25.170 -6.698 2.263 1.00 -0.16 S HETATM 1424 CE GLY A 1 23.629 -6.229 3.079 1.00 -0.02 C HETATM 1425 H17 GLY A 1 23.593 -6.681 4.081 1.00 0.03 H HETATM 1426 H18 GLY A 1 22.776 -6.587 2.484 1.00 0.03 H HETATM 1427 H19 GLY A 1 23.580 -5.134 3.168 1.00 0.03 H HETATM 1428 H15 GLY A 1 24.849 -4.768 0.896 1.00 0.04 H HETATM 1429 H16 GLY A 1 25.874 -6.004 0.090 1.00 0.04 H HETATM 1430 H13 GLY A 1 23.765 -7.390 -0.233 1.00 0.03 H HETATM 1431 H14 GLY A 1 22.832 -5.964 0.338 1.00 0.03 H HETATM 1432 H12 GLY A 1 24.828 -5.945 -1.974 1.00 0.08 H HETATM 1433 H11 GLY A 1 23.270 -3.821 -0.688 1.00 0.19 H HETATM 1434 CB GLY A 1 24.687 -1.015 -3.219 1.00 -0.02 C HETATM 1435 H8 GLY A 1 24.259 -1.334 -4.181 1.00 0.03 H HETATM 1436 H9 GLY A 1 25.782 -1.115 -3.253 1.00 0.03 H HETATM 1437 H10 GLY A 1 24.421 0.035 -3.029 1.00 0.03 H HETATM 1438 H7 GLY A 1 23.046 -1.714 -2.054 1.00 0.08 H HETATM 1439 H6 GLY A 1 24.170 -0.805 -0.299 1.00 0.19 H HETATM 1440 H4 GLY A 1 27.216 -0.773 0.937 1.00 0.11 H HETATM 1441 H5 GLY A 1 25.479 -0.555 1.339 1.00 0.11 H HETATM 1442 H1 GLY A 1 26.599 -1.940 2.919 1.00 0.20 H HETATM 1443 H2 GLY A 1 27.045 -3.007 1.747 1.00 0.20 H HETATM 1444 H3 GLY A 1 25.453 -2.807 2.116 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1156 1157 1442 1443 1444 CONECT 1157 1156 1158 1440 1441 CONECT 1158 1157 1159 1160 CONECT 1159 1158 CONECT 1160 1158 1161 1439 CONECT 1161 1160 1162 1434 1438 CONECT 1162 1161 1163 1164 CONECT 1163 1162 CONECT 1164 1162 1165 1433 CONECT 1165 1164 1166 1421 1432 CONECT 1166 1165 1167 1168 CONECT 1167 1166 CONECT 1168 1166 1169 1420 CONECT 1169 1168 1170 1410 1419 CONECT 1170 1169 1171 1172 CONECT 1171 1170 CONECT 1172 1170 1173 1409 CONECT 1173 1172 1174 1395 1408 CONECT 1174 1173 1175 1176 CONECT 1175 1174 CONECT 1176 1174 1177 1394 CONECT 1177 1176 1178 1380 1393 CONECT 1178 1177 1179 1180 CONECT 1179 1178 CONECT 1180 1178 1181 1379 CONECT 1181 1180 1182 1367 1378 CONECT 1182 1181 1183 1184 CONECT 1183 1182 CONECT 1184 1182 1185 1366 CONECT 1185 1184 1186 1356 1365 CONECT 1186 1185 1187 1188 CONECT 1187 1186 CONECT 1188 1186 1189 1355 CONECT 1189 1188 1190 1348 1354 CONECT 1190 1189 1191 1192 CONECT 1191 1190 CONECT 1192 1190 1193 1347 CONECT 1193 1192 1194 1338 1346 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 1337 CONECT 1197 1196 1198 1327 1336 CONECT 1198 1197 1199 1200 CONECT 1199 1198 CONECT 1200 1198 1201 1326 CONECT 1201 1200 1202 1307 1325 CONECT 1202 1201 1203 1204 CONECT 1203 1202 CONECT 1204 1202 1205 1306 CONECT 1205 1204 1206 1304 1305 CONECT 1206 1205 1207 1208 CONECT 1207 1206 CONECT 1208 1206 1209 1303 CONECT 1209 1208 1210 1289 1302 CONECT 1210 1209 1211 1212 CONECT 1211 1210 CONECT 1212 1210 1213 1288 CONECT 1213 1212 1214 1278 1287 CONECT 1214 1213 1215 1216 CONECT 1215 1214 CONECT 1216 1214 1217 1277 CONECT 1217 1216 1218 1263 1276 CONECT 1218 1217 1219 1220 CONECT 1219 1218 CONECT 1220 1218 1221 1262 CONECT 1221 1220 1222 1251 1261 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 1225 1250 CONECT 1225 1224 1226 1244 1249 CONECT 1226 1225 1227 1228 CONECT 1227 1226 CONECT 1228 1226 1229 1243 CONECT 1229 1228 1230 1233 1242 CONECT 1230 1229 1231 1232 CONECT 1231 1230 CONECT 1232 1230 CONECT 1233 1229 1234 1240 1241 CONECT 1234 1233 1235 1238 1239 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 CONECT 1238 1234 CONECT 1239 1234 CONECT 1240 1233 CONECT 1241 1233 CONECT 1242 1229 CONECT 1243 1228 CONECT 1244 1225 1245 1247 1248 CONECT 1245 1244 1246 CONECT 1246 1245 CONECT 1247 1244 CONECT 1248 1244 CONECT 1249 1225 CONECT 1250 1224 CONECT 1251 1221 1252 1256 1260 CONECT 1252 1251 1253 1254 1255 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1252 CONECT 1256 1251 1257 1258 1259 CONECT 1257 1256 CONECT 1258 1256 CONECT 1259 1256 CONECT 1260 1251 CONECT 1261 1221 CONECT 1262 1220 CONECT 1263 1217 1264 1274 1275 CONECT 1264 1263 1265 1269 1273 CONECT 1265 1264 1266 1267 1268 CONECT 1266 1265 CONECT 1267 1265 CONECT 1268 1265 CONECT 1269 1264 1270 1271 1272 CONECT 1270 1269 CONECT 1271 1269 CONECT 1272 1269 CONECT 1273 1264 CONECT 1274 1263 CONECT 1275 1263 CONECT 1276 1217 CONECT 1277 1216 CONECT 1278 1213 1279 1285 1286 CONECT 1279 1278 1280 1283 1284 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1279 CONECT 1284 1279 CONECT 1285 1278 CONECT 1286 1278 CONECT 1287 1213 CONECT 1288 1212 CONECT 1289 1209 1290 1297 1301 CONECT 1290 1289 1291 1295 1296 CONECT 1291 1290 1292 1293 1294 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1291 CONECT 1295 1290 CONECT 1296 1290 CONECT 1297 1289 1298 1299 1300 CONECT 1298 1297 CONECT 1299 1297 CONECT 1300 1297 CONECT 1301 1289 CONECT 1302 1209 CONECT 1303 1208 CONECT 1304 1205 CONECT 1305 1205 CONECT 1306 1204 CONECT 1307 1201 1308 1323 1324 CONECT 1308 1307 1309 1312 CONECT 1309 1308 1310 1322 CONECT 1310 1309 1311 1321 CONECT 1311 1310 1312 1316 CONECT 1312 1308 1311 1313 CONECT 1313 1312 1314 1320 CONECT 1314 1313 1315 1319 CONECT 1315 1314 1316 1318 CONECT 1316 1311 1315 1317 CONECT 1317 1316 CONECT 1318 1315 CONECT 1319 1314 CONECT 1320 1313 CONECT 1321 1310 CONECT 1322 1309 CONECT 1323 1307 CONECT 1324 1307 CONECT 1325 1201 CONECT 1326 1200 CONECT 1327 1197 1328 1334 1335 CONECT 1328 1327 1329 1332 1333 CONECT 1329 1328 1330 1331 CONECT 1330 1329 CONECT 1331 1329 CONECT 1332 1328 CONECT 1333 1328 CONECT 1334 1327 CONECT 1335 1327 CONECT 1336 1197 CONECT 1337 1196 CONECT 1338 1193 1339 1344 1345 CONECT 1339 1338 1340 1341 CONECT 1340 1339 CONECT 1341 1339 1342 1343 CONECT 1342 1341 CONECT 1343 1341 CONECT 1344 1338 CONECT 1345 1338 CONECT 1346 1193 CONECT 1347 1192 CONECT 1348 1189 1349 1352 1353 CONECT 1349 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1348 CONECT 1353 1348 CONECT 1354 1189 CONECT 1355 1188 CONECT 1356 1185 1357 1363 1364 CONECT 1357 1356 1358 1361 1362 CONECT 1358 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1357 CONECT 1362 1357 CONECT 1363 1356 CONECT 1364 1356 CONECT 1365 1185 CONECT 1366 1184 CONECT 1367 1181 1368 1376 1377 CONECT 1368 1367 1369 1372 CONECT 1369 1368 1370 1375 CONECT 1370 1369 1371 1374 CONECT 1371 1370 1372 CONECT 1372 1368 1371 1373 CONECT 1373 1372 CONECT 1374 1370 CONECT 1375 1369 CONECT 1376 1367 CONECT 1377 1367 CONECT 1378 1181 CONECT 1379 1180 CONECT 1380 1177 1381 1388 1392 CONECT 1381 1380 1382 1386 1387 CONECT 1382 1381 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 CONECT 1386 1381 CONECT 1387 1381 CONECT 1388 1380 1389 1390 1391 CONECT 1389 1388 CONECT 1390 1388 CONECT 1391 1388 CONECT 1392 1380 CONECT 1393 1177 CONECT 1394 1176 CONECT 1395 1173 1396 1403 1407 CONECT 1396 1395 1397 1401 1402 CONECT 1397 1396 1398 1399 1400 CONECT 1398 1397 CONECT 1399 1397 CONECT 1400 1397 CONECT 1401 1396 CONECT 1402 1396 CONECT 1403 1395 1404 1405 1406 CONECT 1404 1403 CONECT 1405 1403 CONECT 1406 1403 CONECT 1407 1395 CONECT 1408 1173 CONECT 1409 1172 CONECT 1410 1169 1411 1417 1418 CONECT 1411 1410 1412 1415 1416 CONECT 1412 1411 1413 1414 CONECT 1413 1412 CONECT 1414 1412 CONECT 1415 1411 CONECT 1416 1411 CONECT 1417 1410 CONECT 1418 1410 CONECT 1419 1169 CONECT 1420 1168 CONECT 1421 1165 1422 1430 1431 CONECT 1422 1421 1423 1428 1429 CONECT 1423 1422 1424 CONECT 1424 1423 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1422 CONECT 1429 1422 CONECT 1430 1421 CONECT 1431 1421 CONECT 1432 1165 CONECT 1433 1164 CONECT 1434 1161 1435 1436 1437 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1434 CONECT 1438 1161 CONECT 1439 1160 CONECT 1440 1157 CONECT 1441 1157 CONECT 1442 1156 CONECT 1443 1156 CONECT 1444 1156 MASTER 0 0 0 0 0 0 0 0 1443 1 293 9 END
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PDBbind
19-mer
3uvu
RCSB PDB
PDBbind
19-mer
3v2o
RCSB PDB
PDBbind
19-mer
3v7d
RCSB PDB
PDBbind
19-mer
3zha
RCSB PDB
PDBbind
19-mer
4a1w
RCSB PDB
PDBbind
19-mer
4bpi
RCSB PDB
PDBbind
19-mer
4bpj
RCSB PDB
PDBbind
19-mer
4hpy
RCSB PDB
PDBbind
19-mer
4j24
RCSB PDB
PDBbind
19-mer
4mzj
RCSB PDB
PDBbind
19-mer
4mzk
RCSB PDB
PDBbind
19-mer
4oyk
RCSB PDB
PDBbind
19-mer
4qxt
RCSB PDB
PDBbind
19-mer
4qy8
RCSB PDB
PDBbind
19-mer
4tkn
RCSB PDB
PDBbind
19-mer
4xek
RCSB PDB
PDBbind
19-mer
4xgz
RCSB PDB
PDBbind
19-mer
4z8m
RCSB PDB
PDBbind
19-mer
5bjt
RCSB PDB
PDBbind
19-mer
5ekg
RCSB PDB
PDBbind
19-mer
5f67
RCSB PDB
PDBbind
19-mer
5gmi
RCSB PDB
PDBbind
19-mer
5gmj
RCSB PDB
PDBbind
19-mer
5gow
RCSB PDB
PDBbind
19-mer
5jeo
RCSB PDB
PDBbind
19-mer
5jer
RCSB PDB
PDBbind
19-mer
5k6s
RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
5nxq
RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
19-mer
5uwp
RCSB PDB
PDBbind
19-mer
5v2p
RCSB PDB
PDBbind
19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
6h8c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GABARAPL2
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.4uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Autophagy Vol. 16: pp. 256-270
Ligand Properties
Formula
C
9
4
H
1
4
4
N
2
3
O
3
4
S
Molecular Weight
2172.350
Exact Mass
2171.000
No. of atoms
296
No. of bonds
298
Polar Surface Area
945.63
LOGP Value
3.55 (
Computed with XLOGP3
)
0.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 35
No. of Rotatable Bonds: 85
No. of Nitrogen and Oxygen Atoms: 57
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CO)C(C)C)CC(C)C)CCC(=O)O)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CC(=O)N)CC(=O)O)CCC(=O)O)Cc1[nH]cnc1)[C@H](CC)C)[C@H](CC)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)C[NH3+])C
InChI String
InChI=1S/C94H143N23O34S/c1-13-45(8)75(91(147)106-55(22-27-70(126)127)82(138)108-59(32-43(4)5)88(144)115-74(44(6)7)90(146)113-64(41-118)89(145)107-58(94(150)151)24-29-72(130)131)114-67(121)40-99-79(135)60(33-49-38-98-52-19-17-16-18-51(49)52)109-80(136)53(20-25-68(122)123)105-86(142)62(35-65(96)119)110-87(143)63(36-73(132)133)111-81(137)54(21-26-69(124)125)104-85(141)61(34-50-39-97-42-100-50)112-92(148)76(46(9)14-2)117-93(149)77(47(10)15-3)116-84(140)56(23-28-71(128)129)103-83(139)57(30-31-152-12)102-78(134)48(11)101-66(120)37-95/h16-19,38-39,42-48,53-64,74-77,98,118H,13-15,20-37,40-41,95H2,1-12H3,(H2,96,119)(H,97,100)(H,99,135)(H,101,120)(H,102,134)(H,103,139)(H,104,141)(H,105,142)(H,106,147)(H,107,145)(H,108,138)(H,109,136)(H,110,143)(H,111,137)(H,112,148)(H,113,146)(H,114,121)(H,115,144)(H,116,140)(H,117,149)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,150,151)/p+1/t45-,46-,47-,48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,74-,75-,76-,77-/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):
P60520
Q9GZZ9
Entrez Gene ID
NCBI Entrez Gene ID:
11345
79876
ASD
Information of known allosteric effects of PDB entries
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