Browse entries in the PDBbind-CN Database
HEADER 6T1L_COMPLEX COMPND 6T1L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 ASN GLN CYS THR VAL GLN VAL ARG LEU GLU LEU GLY HIS SEQRES 2 A 142 ARG ALA GLN LEU ARG LYS LYS PRO THR THR GLU GLY PHE SEQRES 3 A 142 THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO GLU GLN SEQRES 4 A 142 CYS ASP ILE GLN HIS PHE VAL GLU LYS VAL VAL PHE TRP SEQRES 5 A 142 LEU HIS ASP SER PHE PRO LYS PRO ARG ARG VAL CYS LYS SEQRES 6 A 142 GLU PRO PRO TYR LYS VAL GLU GLU SER GLY TYR ALA GLY SEQRES 7 A 142 PHE ILE MET PRO ILE GLU VAL HIS PHE LYS ASN LYS GLU SEQRES 8 A 142 GLU PRO ARG LYS VAL CYS PHE THR TYR ASP LEU PHE LEU SEQRES 9 A 142 ASN LEU GLU GLY ASN PRO PRO VAL ASN HIS LEU ARG CYS SEQRES 10 A 142 GLU LYS LEU THR PHE ASN ASN PRO THR THR GLU PHE ARG SEQRES 11 A 142 TYR LYS LEU LEU ARG ALA GLY GLY VAL MET VAL MET HET M A 7N 59 ATOM 1 N ASN A 3 10.471 -33.387 15.189 1.00101.03 N ATOM 2 CA ASN A 3 10.599 -33.335 13.706 1.00 98.85 C ATOM 3 C ASN A 3 10.677 -31.875 13.234 1.00 96.53 C ATOM 4 O ASN A 3 10.347 -30.975 14.021 1.00 98.32 O ATOM 5 CB ASN A 3 9.435 -34.043 13.019 1.00 97.18 C ATOM 6 CG ASN A 3 9.732 -35.484 12.689 1.00 96.25 C ATOM 7 OD1 ASN A 3 10.802 -35.991 13.007 1.00 98.06 O ATOM 8 ND2 ASN A 3 8.796 -36.143 12.029 1.00 99.96 N ATOM 9 HD22 ASN A 3 7.904 -35.670 11.781 1.00 0.00 H ATOM 10 HD21 ASN A 3 8.952 -37.135 11.757 1.00 0.00 H ATOM 11 HN3 ASN A 3 9.606 -32.887 15.479 1.00 0.00 H ATOM 12 HN2 ASN A 3 11.299 -32.931 15.623 1.00 0.00 H ATOM 13 HN1 ASN A 3 10.419 -34.379 15.497 1.00 0.00 H ATOM 14 N GLN A 4 11.060 -31.671 11.972 1.00 95.06 N ATOM 15 CA GLN A 4 11.111 -30.344 11.297 1.00 88.74 C ATOM 16 C GLN A 4 9.702 -29.947 10.843 1.00 84.75 C ATOM 17 O GLN A 4 9.016 -30.789 10.229 1.00 82.87 O ATOM 18 CB GLN A 4 12.038 -30.408 10.083 1.00 90.01 C ATOM 19 CG GLN A 4 13.450 -30.855 10.414 1.00 92.92 C ATOM 20 CD GLN A 4 14.229 -29.740 11.058 1.00 91.81 C ATOM 21 OE1 GLN A 4 14.403 -28.667 10.484 1.00 87.83 O ATOM 22 NE2 GLN A 4 14.668 -29.974 12.282 1.00 95.06 N ATOM 23 HE22 GLN A 4 14.497 -30.898 12.728 1.00 0.00 H ATOM 24 HE21 GLN A 4 15.184 -29.234 12.800 1.00 0.00 H ATOM 25 H GLN A 4 11.345 -32.503 11.417 1.00 0.00 H ATOM 26 N CYS A 5 9.309 -28.700 11.061 1.00 78.23 N ATOM 27 CA CYS A 5 8.110 -28.112 10.422 1.00 78.45 C ATOM 28 C CYS A 5 8.237 -26.599 10.382 1.00 72.82 C ATOM 29 O CYS A 5 8.775 -26.015 11.336 1.00 74.14 O ATOM 30 CB CYS A 5 6.827 -28.525 11.133 1.00 82.54 C ATOM 31 SG CYS A 5 6.402 -27.468 12.539 1.00 87.34 S ATOM 32 H CYS A 5 9.867 -28.109 11.709 1.00 0.00 H ATOM 33 N THR A 6 7.811 -26.016 9.279 1.00 66.82 N ATOM 34 CA THR A 6 7.745 -24.568 9.056 1.00 64.71 C ATOM 35 C THR A 6 6.291 -24.194 8.803 1.00 61.41 C ATOM 36 O THR A 6 5.674 -24.834 7.945 1.00 62.99 O ATOM 37 CB THR A 6 8.690 -24.185 7.925 1.00 65.56 C ATOM 38 OG1 THR A 6 10.000 -24.344 8.477 1.00 70.49 O ATOM 39 CG2 THR A 6 8.480 -22.784 7.409 1.00 62.69 C ATOM 40 HG1 THR A 6 10.102 -23.747 9.260 1.00 0.00 H ATOM 41 H THR A 6 7.496 -26.633 8.504 1.00 0.00 H ATOM 42 N VAL A 7 5.752 -23.287 9.615 1.00 56.29 N ATOM 43 CA VAL A 7 4.344 -22.812 9.542 1.00 56.74 C ATOM 44 C VAL A 7 4.349 -21.366 9.031 1.00 56.29 C ATOM 45 O VAL A 7 5.094 -20.551 9.595 1.00 56.45 O ATOM 46 CB VAL A 7 3.655 -22.932 10.913 1.00 56.48 C ATOM 47 CG1 VAL A 7 2.233 -22.380 10.892 1.00 58.06 C ATOM 48 CG2 VAL A 7 3.668 -24.364 11.424 1.00 59.34 C ATOM 49 H VAL A 7 6.360 -22.881 10.355 1.00 0.00 H ATOM 50 N GLN A 8 3.562 -21.073 7.991 1.00 56.38 N ATOM 51 CA GLN A 8 3.321 -19.692 7.501 1.00 55.26 C ATOM 52 C GLN A 8 1.938 -19.227 7.954 1.00 51.89 C ATOM 53 O GLN A 8 0.976 -20.026 7.872 1.00 50.79 O ATOM 54 CB GLN A 8 3.442 -19.614 5.985 1.00 59.70 C ATOM 55 CG GLN A 8 4.877 -19.612 5.493 1.00 64.54 C ATOM 56 CD GLN A 8 4.958 -19.451 3.996 1.00 67.69 C ATOM 57 OE1 GLN A 8 3.950 -19.339 3.314 1.00 69.99 O ATOM 58 NE2 GLN A 8 6.171 -19.437 3.471 1.00 70.45 N ATOM 59 HE22 GLN A 8 7.005 -19.535 4.085 1.00 0.00 H ATOM 60 HE21 GLN A 8 6.292 -19.328 2.444 1.00 0.00 H ATOM 61 H GLN A 8 3.091 -21.857 7.496 1.00 0.00 H ATOM 62 N VAL A 9 1.866 -17.999 8.445 1.00 46.98 N ATOM 63 CA VAL A 9 0.613 -17.243 8.692 1.00 48.22 C ATOM 64 C VAL A 9 0.726 -15.908 7.960 1.00 48.81 C ATOM 65 O VAL A 9 1.867 -15.450 7.720 1.00 44.90 O ATOM 66 CB VAL A 9 0.375 -17.033 10.196 1.00 48.13 C ATOM 67 CG1 VAL A 9 0.083 -18.338 10.902 1.00 51.36 C ATOM 68 CG2 VAL A 9 1.545 -16.315 10.856 1.00 47.26 C ATOM 69 H VAL A 9 2.762 -17.525 8.677 1.00 0.00 H ATOM 70 N ARG A 10 -0.404 -15.317 7.617 1.00 48.29 N ATOM 71 CA ARG A 10 -0.476 -14.023 6.912 1.00 49.56 C ATOM 72 C ARG A 10 -1.048 -12.970 7.853 1.00 45.85 C ATOM 73 O ARG A 10 -1.901 -13.301 8.674 1.00 48.38 O ATOM 74 CB ARG A 10 -1.260 -14.191 5.612 1.00 55.44 C ATOM 75 CG ARG A 10 -0.497 -15.026 4.600 1.00 61.19 C ATOM 76 CD ARG A 10 -1.256 -15.398 3.362 1.00 70.10 C ATOM 77 NE ARG A 10 -0.386 -16.207 2.519 1.00 78.22 N ATOM 78 CZ ARG A 10 -0.735 -16.738 1.353 1.00 87.62 C ATOM 79 NH1 ARG A 10 -1.955 -16.550 0.873 1.00 93.44 N ATOM 80 NH2 ARG A 10 0.138 -17.463 0.672 1.00 88.71 N ATOM 81 HE ARG A 10 0.582 -16.382 2.856 1.00 0.00 H ATOM 82 HH12 ARG A 10 -2.224 -16.968 -0.041 1.00 0.00 H ATOM 83 HH11 ARG A 10 -2.644 -15.985 1.410 1.00 0.00 H ATOM 84 HH22 ARG A 10 -0.133 -17.880 -0.241 1.00 0.00 H ATOM 85 HH21 ARG A 10 1.095 -17.616 1.050 1.00 0.00 H ATOM 86 H ARG A 10 -1.297 -15.792 7.858 1.00 0.00 H ATOM 87 N LEU A 11 -0.453 -11.795 7.840 1.00 45.61 N ATOM 88 CA LEU A 11 -1.027 -10.578 8.422 1.00 43.43 C ATOM 89 C LEU A 11 -1.334 -9.618 7.297 1.00 42.87 C ATOM 90 O LEU A 11 -0.593 -9.620 6.303 1.00 41.93 O ATOM 91 CB LEU A 11 -0.037 -9.957 9.394 1.00 45.40 C ATOM 92 CG LEU A 11 0.311 -10.780 10.620 1.00 46.71 C ATOM 93 CD1 LEU A 11 1.320 -10.035 11.474 1.00 48.75 C ATOM 94 CD2 LEU A 11 -0.917 -11.117 11.423 1.00 48.82 C ATOM 95 H LEU A 11 0.482 -11.726 7.389 1.00 0.00 H ATOM 96 N GLU A 12 -2.354 -8.800 7.483 1.00 41.99 N ATOM 97 CA GLU A 12 -2.615 -7.610 6.656 1.00 42.30 C ATOM 98 C GLU A 12 -2.541 -6.381 7.555 1.00 40.11 C ATOM 99 O GLU A 12 -3.332 -6.289 8.523 1.00 39.29 O ATOM 100 CB GLU A 12 -3.953 -7.749 5.948 1.00 44.34 C ATOM 101 CG GLU A 12 -3.930 -8.804 4.862 1.00 48.79 C ATOM 102 CD GLU A 12 -5.291 -9.289 4.401 1.00 51.81 C ATOM 103 OE1 GLU A 12 -6.294 -8.671 4.773 1.00 52.59 O ATOM 104 OE2 GLU A 12 -5.334 -10.296 3.686 1.00 58.91 O ATOM 105 H GLU A 12 -3.013 -9.009 8.260 1.00 0.00 H ATOM 106 N LEU A 13 -1.553 -5.528 7.303 1.00 39.35 N ATOM 107 CA LEU A 13 -1.495 -4.149 7.830 1.00 39.08 C ATOM 108 C LEU A 13 -2.151 -3.247 6.808 1.00 40.02 C ATOM 109 O LEU A 13 -2.125 -3.585 5.621 1.00 42.61 O ATOM 110 CB LEU A 13 -0.039 -3.749 8.045 1.00 41.50 C ATOM 111 CG LEU A 13 0.642 -4.391 9.229 1.00 43.24 C ATOM 112 CD1 LEU A 13 0.685 -5.890 9.082 1.00 45.12 C ATOM 113 CD2 LEU A 13 2.035 -3.832 9.396 1.00 47.04 C ATOM 114 H LEU A 13 -0.772 -5.852 6.697 1.00 0.00 H ATOM 115 N GLY A 14 -2.691 -2.131 7.227 1.00 40.02 N ATOM 116 CA GLY A 14 -3.370 -1.237 6.298 1.00 40.13 C ATOM 117 C GLY A 14 -3.736 0.040 6.955 1.00 39.08 C ATOM 118 O GLY A 14 -3.662 0.111 8.177 1.00 37.34 O ATOM 119 H GLY A 14 -2.635 -1.879 8.235 1.00 0.00 H ATOM 120 N HIS A 15 -4.183 0.998 6.176 1.00 39.90 N ATOM 121 CA HIS A 15 -4.669 2.292 6.705 1.00 40.26 C ATOM 122 C HIS A 15 -5.612 2.919 5.712 1.00 40.32 C ATOM 123 O HIS A 15 -5.579 2.541 4.510 1.00 39.66 O ATOM 124 CB HIS A 15 -3.485 3.203 7.108 1.00 39.15 C ATOM 125 CG HIS A 15 -2.870 3.964 5.982 1.00 40.99 C ATOM 126 ND1 HIS A 15 -2.122 3.353 4.996 1.00 41.14 N ATOM 127 CD2 HIS A 15 -2.823 5.298 5.727 1.00 40.95 C ATOM 128 CE1 HIS A 15 -1.647 4.271 4.172 1.00 42.36 C ATOM 129 NE2 HIS A 15 -2.059 5.474 4.604 1.00 42.00 N ATOM 130 H HIS A 15 -4.196 0.841 5.148 1.00 0.00 H ATOM 131 N ARG A 16 -6.518 3.713 6.242 1.00 41.38 N ATOM 132 CA ARG A 16 -7.410 4.586 5.484 1.00 43.38 C ATOM 133 C ARG A 16 -7.159 6.004 5.959 1.00 42.42 C ATOM 134 O ARG A 16 -6.840 6.186 7.157 1.00 40.50 O ATOM 135 CB ARG A 16 -8.857 4.146 5.689 1.00 46.25 C ATOM 136 CG ARG A 16 -9.123 2.722 5.232 1.00 52.14 C ATOM 137 CD ARG A 16 -10.541 2.523 4.745 1.00 59.18 C ATOM 138 NE ARG A 16 -11.340 1.812 5.718 1.00 67.47 N ATOM 139 CZ ARG A 16 -11.215 0.507 5.996 1.00 75.26 C ATOM 140 NH1 ARG A 16 -11.993 -0.051 6.913 1.00 76.12 N ATOM 141 NH2 ARG A 16 -10.309 -0.232 5.364 1.00 75.03 N ATOM 142 HE ARG A 16 -12.062 2.351 6.238 1.00 0.00 H ATOM 143 HH12 ARG A 16 -11.897 -1.064 7.130 1.00 0.00 H ATOM 144 HH11 ARG A 16 -12.699 0.524 7.416 1.00 0.00 H ATOM 145 HH22 ARG A 16 -10.218 -1.244 5.585 1.00 0.00 H ATOM 146 HH21 ARG A 16 -9.691 0.202 4.649 1.00 0.00 H ATOM 147 H ARG A 16 -6.605 3.719 7.278 1.00 0.00 H ATOM 148 N ALA A 17 -7.251 6.963 5.058 1.00 43.67 N ATOM 149 CA ALA A 17 -7.183 8.400 5.384 1.00 44.89 C ATOM 150 C ALA A 17 -8.129 9.169 4.465 1.00 44.94 C ATOM 151 O ALA A 17 -8.236 8.819 3.256 1.00 42.30 O ATOM 152 CB ALA A 17 -5.761 8.874 5.262 1.00 44.75 C ATOM 153 H ALA A 17 -7.379 6.691 4.062 1.00 0.00 H ATOM 154 N GLN A 18 -8.767 10.196 4.990 1.00 49.05 N ATOM 155 CA GLN A 18 -9.583 11.117 4.172 1.00 53.42 C ATOM 156 C GLN A 18 -9.523 12.526 4.765 1.00 54.29 C ATOM 157 O GLN A 18 -9.440 12.665 6.029 1.00 50.99 O ATOM 158 CB GLN A 18 -11.017 10.595 4.081 1.00 55.28 C ATOM 159 CG GLN A 18 -11.710 10.531 5.428 1.00 56.93 C ATOM 160 CD GLN A 18 -13.080 9.912 5.331 1.00 62.15 C ATOM 161 OE1 GLN A 18 -13.321 9.010 4.531 1.00 64.51 O ATOM 162 NE2 GLN A 18 -13.990 10.391 6.163 1.00 64.48 N ATOM 163 HE22 GLN A 18 -13.740 11.155 6.823 1.00 0.00 H ATOM 164 HE21 GLN A 18 -14.955 10.003 6.157 1.00 0.00 H ATOM 165 H GLN A 18 -8.694 10.364 6.014 1.00 0.00 H ATOM 166 N LEU A 19 -9.548 13.522 3.888 1.00 58.49 N ATOM 167 CA LEU A 19 -9.713 14.952 4.236 1.00 64.15 C ATOM 168 C LEU A 19 -11.082 15.122 4.908 1.00 63.67 C ATOM 169 O LEU A 19 -12.085 14.633 4.336 1.00 65.69 O ATOM 170 CB LEU A 19 -9.593 15.780 2.949 1.00 65.09 C ATOM 171 CG LEU A 19 -9.552 17.293 3.137 1.00 70.26 C ATOM 172 CD1 LEU A 19 -8.244 17.722 3.779 1.00 69.35 C ATOM 173 CD2 LEU A 19 -9.759 18.017 1.810 1.00 72.76 C ATOM 174 H LEU A 19 -9.444 13.280 2.882 1.00 0.00 H ATOM 175 N ARG A 20 -11.106 15.627 6.137 1.00 62.09 N ATOM 176 CA ARG A 20 -12.356 16.052 6.809 1.00 65.00 C ATOM 177 C ARG A 20 -13.004 17.138 5.936 1.00 66.08 C ATOM 178 O ARG A 20 -12.257 17.960 5.393 1.00 65.36 O ATOM 179 CB ARG A 20 -12.061 16.557 8.224 1.00 63.56 C ATOM 180 CG ARG A 20 -11.272 15.577 9.079 1.00 61.83 C ATOM 181 CD ARG A 20 -11.241 15.979 10.535 1.00 62.21 C ATOM 182 NE ARG A 20 -12.538 16.483 10.926 1.00 64.14 N ATOM 183 CZ ARG A 20 -13.547 15.734 11.362 1.00 66.03 C ATOM 184 NH1 ARG A 20 -14.710 16.303 11.641 1.00 65.19 N ATOM 185 NH2 ARG A 20 -13.395 14.424 11.529 1.00 63.52 N ATOM 186 HE ARG A 20 -12.694 17.509 10.862 1.00 0.00 H ATOM 187 HH12 ARG A 20 -15.504 15.724 11.982 1.00 0.00 H ATOM 188 HH11 ARG A 20 -14.830 17.329 11.519 1.00 0.00 H ATOM 189 HH22 ARG A 20 -14.190 13.848 11.870 1.00 0.00 H ATOM 190 HH21 ARG A 20 -12.481 13.976 11.318 1.00 0.00 H ATOM 191 H ARG A 20 -10.207 15.728 6.650 1.00 0.00 H ATOM 192 N LYS A 21 -14.322 17.060 5.716 1.00 71.09 N ATOM 193 CA LYS A 21 -15.119 18.110 5.008 1.00 74.41 C ATOM 194 C LYS A 21 -14.639 19.489 5.477 1.00 73.07 C ATOM 195 O LYS A 21 -14.217 20.276 4.632 1.00 71.86 O ATOM 196 CB LYS A 21 -16.622 17.927 5.257 1.00 77.08 C ATOM 197 CG LYS A 21 -17.326 16.950 4.314 1.00 80.66 C ATOM 198 CD LYS A 21 -18.848 17.045 4.345 1.00 83.20 C ATOM 199 CE LYS A 21 -19.536 15.946 3.556 1.00 86.32 C ATOM 200 NZ LYS A 21 -19.653 14.692 4.341 1.00 87.29 N ATOM 201 HZ1 LYS A 21 -18.703 14.359 4.604 1.00 0.00 H ATOM 202 HZ2 LYS A 21 -20.209 14.873 5.201 1.00 0.00 H ATOM 203 HZ3 LYS A 21 -20.128 13.968 3.766 1.00 0.00 H ATOM 204 H LYS A 21 -14.824 16.216 6.059 1.00 0.00 H ATOM 205 N LYS A 22 -14.658 19.726 6.793 1.00 75.15 N ATOM 206 CA LYS A 22 -13.985 20.873 7.457 1.00 77.01 C ATOM 207 C LYS A 22 -12.935 20.346 8.432 1.00 73.60 C ATOM 208 O LYS A 22 -13.156 19.334 9.100 1.00 72.25 O ATOM 209 CB LYS A 22 -15.007 21.740 8.199 1.00 82.06 C ATOM 210 CG LYS A 22 -14.470 23.075 8.716 1.00 86.53 C ATOM 211 CD LYS A 22 -15.483 23.857 9.549 1.00 89.04 C ATOM 212 CE LYS A 22 -14.928 25.121 10.178 1.00 90.04 C ATOM 213 NZ LYS A 22 -15.249 26.325 9.372 1.00 90.86 N ATOM 214 HZ1 LYS A 22 -14.838 26.225 8.422 1.00 0.00 H ATOM 215 HZ2 LYS A 22 -16.281 26.424 9.295 1.00 0.00 H ATOM 216 HZ3 LYS A 22 -14.852 27.167 9.836 1.00 0.00 H ATOM 217 H LYS A 22 -15.182 19.059 7.396 1.00 0.00 H ATOM 218 N PRO A 23 -11.776 21.031 8.571 1.00 72.03 N ATOM 219 CA PRO A 23 -10.802 20.692 9.612 1.00 71.75 C ATOM 220 C PRO A 23 -11.425 20.735 11.016 1.00 70.69 C ATOM 221 O PRO A 23 -12.515 21.277 11.159 1.00 74.44 O ATOM 222 CB PRO A 23 -9.710 21.764 9.454 1.00 71.31 C ATOM 223 CG PRO A 23 -9.826 22.195 7.995 1.00 71.33 C ATOM 224 CD PRO A 23 -11.306 22.108 7.686 1.00 72.94 C ATOM 225 N THR A 24 -10.758 20.138 12.005 1.00 66.92 N ATOM 226 CA THR A 24 -11.134 20.263 13.432 1.00 66.54 C ATOM 227 C THR A 24 -10.621 21.604 13.956 1.00 71.35 C ATOM 228 O THR A 24 -9.733 22.232 13.278 1.00 66.20 O ATOM 229 CB THR A 24 -10.623 19.098 14.295 1.00 65.30 C ATOM 230 OG1 THR A 24 -9.249 19.336 14.599 1.00 61.77 O ATOM 231 CG2 THR A 24 -10.799 17.736 13.643 1.00 63.81 C ATOM 232 HG1 THR A 24 -8.902 18.594 15.155 1.00 0.00 H ATOM 233 H THR A 24 -9.932 19.555 11.762 1.00 0.00 H ATOM 234 N THR A 25 -11.163 22.023 15.102 1.00 73.70 N ATOM 235 CA THR A 25 -10.678 23.137 15.962 1.00 76.44 C ATOM 236 C THR A 25 -9.138 23.176 15.996 1.00 75.42 C ATOM 237 O THR A 25 -8.578 24.305 15.940 1.00 73.37 O ATOM 238 CB THR A 25 -11.237 22.970 17.378 1.00 79.96 C ATOM 239 OG1 THR A 25 -10.939 21.624 17.769 1.00 77.43 O ATOM 240 CG2 THR A 25 -12.728 23.243 17.465 1.00 80.84 C ATOM 241 HG1 THR A 25 -11.371 20.995 17.138 1.00 0.00 H ATOM 242 H THR A 25 -12.012 21.519 15.428 1.00 0.00 H ATOM 243 N GLU A 26 -8.490 21.997 16.136 1.00 73.56 N ATOM 244 CA GLU A 26 -7.020 21.830 16.383 1.00 74.77 C ATOM 245 C GLU A 26 -6.228 21.947 15.072 1.00 72.39 C ATOM 246 O GLU A 26 -4.884 21.899 15.089 1.00 71.83 O ATOM 247 CB GLU A 26 -6.713 20.455 16.960 1.00 78.14 C ATOM 248 CG GLU A 26 -7.120 20.303 18.393 1.00 83.11 C ATOM 249 CD GLU A 26 -6.422 21.292 19.284 1.00 88.04 C ATOM 250 OE1 GLU A 26 -5.156 21.331 19.250 1.00 88.91 O ATOM 251 OE2 GLU A 26 -7.125 22.095 19.915 1.00 94.19 O ATOM 252 H GLU A 26 -9.061 21.131 16.066 1.00 0.00 H ATOM 253 N GLY A 27 -6.999 22.172 13.970 1.00 68.97 N ATOM 254 CA GLY A 27 -6.452 22.270 12.610 1.00 67.91 C ATOM 255 C GLY A 27 -6.088 20.914 12.075 1.00 63.00 C ATOM 256 O GLY A 27 -5.267 20.856 11.163 1.00 62.17 O ATOM 257 H GLY A 27 -8.025 22.280 14.099 1.00 0.00 H ATOM 258 N PHE A 28 -6.676 19.855 12.639 1.00 61.44 N ATOM 259 CA PHE A 28 -6.611 18.479 12.092 1.00 58.79 C ATOM 260 C PHE A 28 -7.488 18.428 10.843 1.00 54.84 C ATOM 261 O PHE A 28 -8.721 18.647 10.939 1.00 55.73 O ATOM 262 CB PHE A 28 -7.023 17.423 13.132 1.00 61.82 C ATOM 263 CG PHE A 28 -6.249 17.455 14.430 1.00 64.97 C ATOM 264 CD1 PHE A 28 -4.994 18.043 14.501 1.00 68.29 C ATOM 265 CD2 PHE A 28 -6.790 16.917 15.591 1.00 68.82 C ATOM 266 CE1 PHE A 28 -4.308 18.110 15.707 1.00 71.91 C ATOM 267 CE2 PHE A 28 -6.100 16.978 16.793 1.00 69.78 C ATOM 268 CZ PHE A 28 -4.862 17.571 16.847 1.00 72.85 C ATOM 269 H PHE A 28 -7.213 20.006 13.517 1.00 0.00 H ATOM 270 N THR A 29 -6.854 18.152 9.709 1.00 51.03 N ATOM 271 CA THR A 29 -7.449 18.181 8.357 1.00 48.92 C ATOM 272 C THR A 29 -7.976 16.783 7.989 1.00 46.95 C ATOM 273 O THR A 29 -8.791 16.693 7.052 1.00 46.37 O ATOM 274 CB THR A 29 -6.408 18.689 7.357 1.00 49.28 C ATOM 275 OG1 THR A 29 -5.222 17.902 7.492 1.00 46.98 O ATOM 276 CG2 THR A 29 -6.048 20.142 7.580 1.00 52.54 C ATOM 277 HG1 THR A 29 -5.434 16.953 7.305 1.00 0.00 H ATOM 278 H THR A 29 -5.849 17.892 9.779 1.00 0.00 H ATOM 279 N HIS A 30 -7.471 15.726 8.635 1.00 46.07 N ATOM 280 CA HIS A 30 -7.692 14.317 8.196 1.00 43.89 C ATOM 281 C HIS A 30 -8.199 13.464 9.336 1.00 43.81 C ATOM 282 O HIS A 30 -7.786 13.677 10.478 1.00 43.15 O ATOM 283 CB HIS A 30 -6.425 13.686 7.628 1.00 43.07 C ATOM 284 CG HIS A 30 -6.007 14.240 6.314 1.00 43.59 C ATOM 285 ND1 HIS A 30 -5.417 15.493 6.191 1.00 45.34 N ATOM 286 CD2 HIS A 30 -6.026 13.701 5.075 1.00 43.80 C ATOM 287 CE1 HIS A 30 -5.113 15.698 4.925 1.00 46.57 C ATOM 288 NE2 HIS A 30 -5.480 14.608 4.221 1.00 43.45 N ATOM 289 H HIS A 30 -6.896 15.895 9.485 1.00 0.00 H ATOM 290 N ASP A 31 -9.044 12.504 8.995 1.00 44.49 N ATOM 291 CA ASP A 31 -9.264 11.274 9.779 1.00 46.04 C ATOM 292 C ASP A 31 -8.425 10.182 9.144 1.00 42.85 C ATOM 293 O ASP A 31 -8.456 10.049 7.904 1.00 41.89 O ATOM 294 CB ASP A 31 -10.738 10.866 9.809 1.00 48.72 C ATOM 295 CG ASP A 31 -11.673 11.962 10.293 1.00 52.23 C ATOM 296 OD1 ASP A 31 -11.232 12.787 11.108 1.00 53.70 O ATOM 297 OD2 ASP A 31 -12.843 11.954 9.870 1.00 58.03 O ATOM 298 H ASP A 31 -9.588 12.625 8.117 1.00 0.00 H ATOM 299 N TRP A 32 -7.738 9.408 9.954 1.00 42.45 N ATOM 300 CA TRP A 32 -7.129 8.148 9.485 1.00 41.85 C ATOM 301 C TRP A 32 -7.422 6.994 10.445 1.00 41.16 C ATOM 302 O TRP A 32 -7.808 7.217 11.635 1.00 41.32 O ATOM 303 CB TRP A 32 -5.632 8.339 9.222 1.00 38.63 C ATOM 304 CG TRP A 32 -4.865 8.923 10.351 1.00 39.28 C ATOM 305 CD1 TRP A 32 -4.435 10.214 10.474 1.00 40.18 C ATOM 306 CD2 TRP A 32 -4.305 8.205 11.456 1.00 40.72 C ATOM 307 NE1 TRP A 32 -3.695 10.359 11.612 1.00 40.77 N ATOM 308 CE2 TRP A 32 -3.598 9.142 12.237 1.00 42.07 C ATOM 309 CE3 TRP A 32 -4.345 6.863 11.868 1.00 41.55 C ATOM 310 CZ2 TRP A 32 -2.918 8.776 13.398 1.00 42.20 C ATOM 311 CZ3 TRP A 32 -3.718 6.514 13.040 1.00 42.43 C ATOM 312 CH2 TRP A 32 -2.993 7.456 13.779 1.00 43.10 C ATOM 313 HE1 TRP A 32 -3.273 11.248 11.950 1.00 0.00 H ATOM 314 H TRP A 32 -7.621 9.690 10.948 1.00 0.00 H ATOM 315 N MET A 33 -7.250 5.804 9.937 1.00 41.13 N ATOM 316 CA MET A 33 -7.407 4.558 10.691 1.00 42.37 C ATOM 317 C MET A 33 -6.310 3.605 10.229 1.00 38.34 C ATOM 318 O MET A 33 -6.091 3.513 9.005 1.00 36.70 O ATOM 319 CB MET A 33 -8.795 3.973 10.425 1.00 43.53 C ATOM 320 CG MET A 33 -9.130 2.768 11.280 1.00 48.23 C ATOM 321 SD MET A 33 -8.666 1.218 10.504 1.00 48.94 S ATOM 322 CE MET A 33 -9.734 1.241 9.066 1.00 48.13 C ATOM 323 H MET A 33 -6.985 5.736 8.934 1.00 0.00 H ATOM 324 N VAL A 34 -5.573 3.030 11.162 1.00 37.09 N ATOM 325 CA VAL A 34 -4.532 2.002 10.865 1.00 39.46 C ATOM 326 C VAL A 34 -4.906 0.708 11.591 1.00 38.87 C ATOM 327 O VAL A 34 -5.516 0.772 12.686 1.00 40.97 O ATOM 328 CB VAL A 34 -3.116 2.493 11.234 1.00 38.60 C ATOM 329 CG1 VAL A 34 -2.971 2.689 12.724 1.00 41.36 C ATOM 330 CG2 VAL A 34 -2.024 1.565 10.700 1.00 37.73 C ATOM 331 H VAL A 34 -5.725 3.307 12.153 1.00 0.00 H ATOM 332 N PHE A 35 -4.582 -0.430 11.002 1.00 38.18 N ATOM 333 CA PHE A 35 -5.014 -1.731 11.527 1.00 37.64 C ATOM 334 C PHE A 35 -4.016 -2.820 11.176 1.00 35.95 C ATOM 335 O PHE A 35 -3.193 -2.671 10.232 1.00 35.82 O ATOM 336 CB PHE A 35 -6.391 -2.071 10.981 1.00 37.69 C ATOM 337 CG PHE A 35 -6.407 -2.260 9.492 1.00 38.34 C ATOM 338 CD1 PHE A 35 -6.654 -1.192 8.642 1.00 38.18 C ATOM 339 CD2 PHE A 35 -6.156 -3.501 8.935 1.00 39.72 C ATOM 340 CE1 PHE A 35 -6.704 -1.376 7.271 1.00 37.99 C ATOM 341 CE2 PHE A 35 -6.192 -3.673 7.561 1.00 41.18 C ATOM 342 CZ PHE A 35 -6.463 -2.606 6.737 1.00 39.29 C ATOM 343 H PHE A 35 -4.002 -0.403 10.139 1.00 0.00 H ATOM 344 N VAL A 36 -4.103 -3.892 11.943 1.00 35.96 N ATOM 345 CA VAL A 36 -3.569 -5.239 11.628 1.00 36.09 C ATOM 346 C VAL A 36 -4.740 -6.222 11.696 1.00 36.13 C ATOM 347 O VAL A 36 -5.530 -6.138 12.655 1.00 34.06 O ATOM 348 CB VAL A 36 -2.442 -5.616 12.604 1.00 34.65 C ATOM 349 CG1 VAL A 36 -1.905 -7.001 12.327 1.00 35.33 C ATOM 350 CG2 VAL A 36 -1.320 -4.583 12.594 1.00 34.92 C ATOM 351 H VAL A 36 -4.592 -3.781 12.854 1.00 0.00 H ATOM 352 N ARG A 37 -4.860 -7.090 10.712 1.00 37.71 N ATOM 353 CA ARG A 37 -5.912 -8.137 10.684 1.00 40.81 C ATOM 354 C ARG A 37 -5.375 -9.379 10.009 1.00 42.09 C ATOM 355 O ARG A 37 -4.237 -9.330 9.476 1.00 42.27 O ATOM 356 CB ARG A 37 -7.141 -7.625 9.941 1.00 42.55 C ATOM 357 CG ARG A 37 -6.851 -7.227 8.509 1.00 42.35 C ATOM 358 CD ARG A 37 -8.104 -6.851 7.785 1.00 44.49 C ATOM 359 NE ARG A 37 -7.884 -6.898 6.364 1.00 45.61 N ATOM 360 CZ ARG A 37 -8.479 -6.119 5.492 1.00 47.31 C ATOM 361 NH1 ARG A 37 -9.331 -5.195 5.898 1.00 48.54 N ATOM 362 NH2 ARG A 37 -8.199 -6.245 4.211 1.00 48.98 N ATOM 363 HE ARG A 37 -7.206 -7.599 6.003 1.00 0.00 H ATOM 364 HH12 ARG A 37 -9.801 -4.580 5.204 1.00 0.00 H ATOM 365 HH11 ARG A 37 -9.532 -5.083 6.912 1.00 0.00 H ATOM 366 HH22 ARG A 37 -8.667 -5.631 3.514 1.00 0.00 H ATOM 367 HH21 ARG A 37 -7.510 -6.958 3.897 1.00 0.00 H ATOM 368 H ARG A 37 -4.188 -7.039 9.920 1.00 0.00 H ATOM 369 N GLY A 38 -6.129 -10.473 10.099 1.00 44.50 N ATOM 370 CA GLY A 38 -5.904 -11.687 9.309 1.00 44.88 C ATOM 371 C GLY A 38 -6.623 -11.582 7.983 1.00 47.74 C ATOM 372 O GLY A 38 -7.526 -10.745 7.838 1.00 44.94 O ATOM 373 H GLY A 38 -6.924 -10.466 10.769 1.00 0.00 H ATOM 374 N PRO A 39 -6.286 -12.448 6.998 1.00 49.85 N ATOM 375 CA PRO A 39 -7.141 -12.654 5.840 1.00 54.26 C ATOM 376 C PRO A 39 -8.537 -13.114 6.290 1.00 56.49 C ATOM 377 O PRO A 39 -8.712 -13.388 7.474 1.00 53.24 O ATOM 378 CB PRO A 39 -6.457 -13.770 5.024 1.00 55.91 C ATOM 379 CG PRO A 39 -5.066 -13.902 5.624 1.00 54.43 C ATOM 380 CD PRO A 39 -5.183 -13.405 7.050 1.00 52.62 C ATOM 381 N GLU A 40 -9.469 -13.212 5.344 1.00 61.19 N ATOM 382 CA GLU A 40 -10.838 -13.762 5.553 1.00 66.84 C ATOM 383 C GLU A 40 -10.769 -15.121 6.273 1.00 67.20 C ATOM 384 O GLU A 40 -10.003 -15.984 5.820 1.00 66.84 O ATOM 385 CB GLU A 40 -11.526 -13.908 4.202 1.00 73.30 C ATOM 386 CG GLU A 40 -12.188 -12.641 3.751 1.00 76.04 C ATOM 387 CD GLU A 40 -13.278 -12.198 4.699 1.00 82.11 C ATOM 388 OE1 GLU A 40 -14.065 -13.074 5.148 1.00 88.23 O ATOM 389 OE2 GLU A 40 -13.303 -11.009 5.044 1.00 83.72 O ATOM 390 H GLU A 40 -9.223 -12.880 4.389 1.00 0.00 H ATOM 391 N GLN A 41 -11.530 -15.279 7.366 1.00 67.45 N ATOM 392 CA GLN A 41 -11.854 -16.592 8.013 1.00 70.18 C ATOM 393 C GLN A 41 -10.655 -17.122 8.818 1.00 69.75 C ATOM 394 O GLN A 41 -10.651 -18.336 9.149 1.00 67.59 O ATOM 395 CB GLN A 41 -12.252 -17.631 6.964 1.00 74.79 C ATOM 396 CG GLN A 41 -13.433 -17.206 6.104 1.00 78.85 C ATOM 397 CD GLN A 41 -14.222 -18.391 5.605 1.00 80.99 C ATOM 398 OE1 GLN A 41 -13.902 -19.540 5.893 1.00 83.17 O ATOM 399 NE2 GLN A 41 -15.275 -18.116 4.858 1.00 84.21 N ATOM 400 HE22 GLN A 41 -15.512 -17.128 4.637 1.00 0.00 H ATOM 401 HE21 GLN A 41 -15.868 -18.888 4.491 1.00 0.00 H ATOM 402 H GLN A 41 -11.927 -14.421 7.800 1.00 0.00 H ATOM 403 N CYS A 42 -9.676 -16.266 9.114 1.00 63.63 N ATOM 404 CA CYS A 42 -8.555 -16.565 10.039 1.00 62.36 C ATOM 405 C CYS A 42 -8.728 -15.757 11.306 1.00 59.49 C ATOM 406 O CYS A 42 -9.150 -14.594 11.215 1.00 64.73 O ATOM 407 CB CYS A 42 -7.215 -16.255 9.403 1.00 59.19 C ATOM 408 SG CYS A 42 -6.953 -17.194 7.880 1.00 63.53 S ATOM 409 H CYS A 42 -9.700 -15.327 8.667 1.00 0.00 H ATOM 410 N ASP A 43 -8.395 -16.342 12.433 1.00 55.21 N ATOM 411 CA ASP A 43 -8.433 -15.658 13.738 1.00 54.74 C ATOM 412 C ASP A 43 -6.994 -15.530 14.251 1.00 47.85 C ATOM 413 O ASP A 43 -6.551 -16.433 14.956 1.00 47.59 O ATOM 414 CB ASP A 43 -9.366 -16.395 14.691 1.00 59.32 C ATOM 415 CG ASP A 43 -9.619 -15.659 15.992 1.00 66.97 C ATOM 416 OD1 ASP A 43 -9.058 -14.525 16.161 1.00 65.28 O ATOM 417 OD2 ASP A 43 -10.366 -16.220 16.843 1.00 73.37 O ATOM 418 H ASP A 43 -8.090 -17.336 12.404 1.00 0.00 H ATOM 419 N ILE A 44 -6.314 -14.421 13.924 1.00 42.26 N ATOM 420 CA ILE A 44 -4.893 -14.190 14.303 1.00 41.96 C ATOM 421 C ILE A 44 -4.804 -14.043 15.820 1.00 41.19 C ATOM 422 O ILE A 44 -3.715 -14.209 16.354 1.00 41.62 O ATOM 423 CB ILE A 44 -4.280 -12.990 13.555 1.00 41.38 C ATOM 424 CG1 ILE A 44 -4.948 -11.662 13.926 1.00 39.78 C ATOM 425 CG2 ILE A 44 -4.297 -13.234 12.052 1.00 41.86 C ATOM 426 CD1 ILE A 44 -4.140 -10.464 13.544 1.00 40.26 C ATOM 427 H ILE A 44 -6.805 -13.685 13.378 1.00 0.00 H ATOM 428 N GLN A 45 -5.920 -13.841 16.500 1.00 40.95 N ATOM 429 CA GLN A 45 -5.914 -13.671 17.976 1.00 44.92 C ATOM 430 C GLN A 45 -5.339 -14.932 18.640 1.00 46.70 C ATOM 431 O GLN A 45 -4.817 -14.822 19.761 1.00 49.38 O ATOM 432 CB GLN A 45 -7.304 -13.356 18.508 1.00 48.14 C ATOM 433 CG GLN A 45 -7.321 -13.090 20.007 1.00 50.93 C ATOM 434 CD GLN A 45 -8.691 -12.669 20.484 1.00 54.63 C ATOM 435 OE1 GLN A 45 -9.668 -12.722 19.738 1.00 56.97 O ATOM 436 NE2 GLN A 45 -8.777 -12.283 21.749 1.00 55.20 N ATOM 437 HE22 GLN A 45 -7.924 -12.254 22.343 1.00 0.00 H ATOM 438 HE21 GLN A 45 -9.698 -12.009 22.148 1.00 0.00 H ATOM 439 H GLN A 45 -6.825 -13.800 15.989 1.00 0.00 H ATOM 440 N HIS A 46 -5.403 -16.077 17.964 1.00 47.01 N ATOM 441 CA HIS A 46 -4.903 -17.372 18.489 1.00 49.13 C ATOM 442 C HIS A 46 -3.394 -17.276 18.776 1.00 49.60 C ATOM 443 O HIS A 46 -2.945 -17.907 19.765 1.00 52.12 O ATOM 444 CB HIS A 46 -5.267 -18.513 17.540 1.00 50.15 C ATOM 445 CG HIS A 46 -6.665 -18.989 17.721 1.00 50.02 C ATOM 446 ND1 HIS A 46 -7.640 -18.769 16.779 1.00 50.38 N ATOM 447 CD2 HIS A 46 -7.266 -19.607 18.761 1.00 51.93 C ATOM 448 CE1 HIS A 46 -8.780 -19.278 17.202 1.00 53.46 C ATOM 449 NE2 HIS A 46 -8.577 -19.801 18.419 1.00 53.96 N ATOM 450 H HIS A 46 -5.827 -16.063 17.015 1.00 0.00 H ATOM 451 N PHE A 47 -2.652 -16.480 18.001 1.00 47.71 N ATOM 452 CA PHE A 47 -1.165 -16.442 18.060 1.00 48.17 C ATOM 453 C PHE A 47 -0.672 -15.017 18.309 1.00 45.84 C ATOM 454 O PHE A 47 0.510 -14.853 18.664 1.00 47.40 O ATOM 455 CB PHE A 47 -0.564 -17.078 16.804 1.00 47.50 C ATOM 456 CG PHE A 47 -0.618 -16.228 15.563 1.00 47.12 C ATOM 457 CD1 PHE A 47 0.365 -15.288 15.303 1.00 44.59 C ATOM 458 CD2 PHE A 47 -1.615 -16.418 14.616 1.00 47.41 C ATOM 459 CE1 PHE A 47 0.334 -14.541 14.134 1.00 44.58 C ATOM 460 CE2 PHE A 47 -1.627 -15.685 13.437 1.00 45.30 C ATOM 461 CZ PHE A 47 -0.662 -14.737 13.209 1.00 44.82 C ATOM 462 H PHE A 47 -3.137 -15.857 17.324 1.00 0.00 H ATOM 463 N VAL A 48 -1.536 -14.022 18.140 1.00 44.62 N ATOM 464 CA VAL A 48 -1.226 -12.605 18.477 1.00 43.58 C ATOM 465 C VAL A 48 -1.657 -12.354 19.918 1.00 44.88 C ATOM 466 O VAL A 48 -2.864 -12.469 20.189 1.00 48.95 O ATOM 467 CB VAL A 48 -1.912 -11.634 17.503 1.00 42.24 C ATOM 468 CG1 VAL A 48 -1.651 -10.188 17.872 1.00 41.92 C ATOM 469 CG2 VAL A 48 -1.495 -11.894 16.073 1.00 41.49 C ATOM 470 H VAL A 48 -2.476 -14.244 17.753 1.00 0.00 H ATOM 471 N GLU A 49 -0.712 -12.022 20.798 1.00 45.46 N ATOM 472 CA GLU A 49 -0.996 -11.543 22.176 1.00 49.04 C ATOM 473 C GLU A 49 -1.596 -10.137 22.104 1.00 46.43 C ATOM 474 O GLU A 49 -2.630 -9.913 22.723 1.00 49.53 O ATOM 475 CB GLU A 49 0.266 -11.518 23.040 1.00 53.89 C ATOM 476 CG GLU A 49 -0.029 -11.234 24.511 1.00 59.92 C ATOM 477 CD GLU A 49 1.041 -10.439 25.243 1.00 66.34 C ATOM 478 OE1 GLU A 49 2.244 -10.620 24.920 1.00 67.66 O ATOM 479 OE2 GLU A 49 0.673 -9.619 26.134 1.00 71.94 O ATOM 480 H GLU A 49 0.282 -12.103 20.503 1.00 0.00 H ATOM 481 N LYS A 50 -0.926 -9.223 21.409 1.00 44.43 N ATOM 482 CA LYS A 50 -1.328 -7.802 21.304 1.00 43.10 C ATOM 483 C LYS A 50 -0.647 -7.171 20.098 1.00 41.83 C ATOM 484 O LYS A 50 0.340 -7.759 19.563 1.00 42.67 O ATOM 485 CB LYS A 50 -0.972 -7.048 22.586 1.00 43.86 C ATOM 486 CG LYS A 50 0.518 -7.010 22.910 1.00 46.06 C ATOM 487 CD LYS A 50 0.817 -6.422 24.242 1.00 48.50 C ATOM 488 CE LYS A 50 2.302 -6.304 24.497 1.00 51.17 C ATOM 489 NZ LYS A 50 2.578 -5.727 25.830 1.00 54.27 N ATOM 490 HZ1 LYS A 50 2.156 -4.778 25.890 1.00 0.00 H ATOM 491 HZ2 LYS A 50 2.165 -6.338 26.563 1.00 0.00 H ATOM 492 HZ3 LYS A 50 3.606 -5.660 25.971 1.00 0.00 H ATOM 493 H LYS A 50 -0.066 -9.525 20.908 1.00 0.00 H ATOM 494 N VAL A 51 -1.156 -6.027 19.668 1.00 41.80 N ATOM 495 CA VAL A 51 -0.487 -5.140 18.676 1.00 40.70 C ATOM 496 C VAL A 51 -0.285 -3.779 19.342 1.00 42.13 C ATOM 497 O VAL A 51 -1.207 -3.316 20.039 1.00 42.31 O ATOM 498 CB VAL A 51 -1.293 -5.034 17.372 1.00 38.46 C ATOM 499 CG1 VAL A 51 -0.555 -4.247 16.312 1.00 36.68 C ATOM 500 CG2 VAL A 51 -1.684 -6.407 16.845 1.00 38.91 C ATOM 501 H VAL A 51 -2.078 -5.730 20.046 1.00 0.00 H ATOM 502 N VAL A 52 0.932 -3.264 19.265 1.00 41.87 N ATOM 503 CA VAL A 52 1.330 -1.928 19.771 1.00 43.42 C ATOM 504 C VAL A 52 1.578 -1.043 18.557 1.00 42.07 C ATOM 505 O VAL A 52 2.411 -1.435 17.711 1.00 44.66 O ATOM 506 CB VAL A 52 2.576 -2.013 20.672 1.00 44.30 C ATOM 507 CG1 VAL A 52 2.906 -0.664 21.291 1.00 47.66 C ATOM 508 CG2 VAL A 52 2.427 -3.072 21.750 1.00 45.26 C ATOM 509 H VAL A 52 1.668 -3.843 18.813 1.00 0.00 H ATOM 510 N PHE A 53 0.784 0.012 18.419 1.00 40.26 N ATOM 511 CA PHE A 53 0.933 1.090 17.422 1.00 39.80 C ATOM 512 C PHE A 53 1.665 2.263 18.090 1.00 40.33 C ATOM 513 O PHE A 53 1.220 2.733 19.165 1.00 41.11 O ATOM 514 CB PHE A 53 -0.435 1.508 16.876 1.00 39.93 C ATOM 515 CG PHE A 53 -1.288 0.384 16.339 1.00 39.04 C ATOM 516 CD1 PHE A 53 -2.079 -0.384 17.189 1.00 39.08 C ATOM 517 CD2 PHE A 53 -1.352 0.126 14.977 1.00 38.55 C ATOM 518 CE1 PHE A 53 -2.879 -1.405 16.689 1.00 38.58 C ATOM 519 CE2 PHE A 53 -2.162 -0.901 14.484 1.00 37.91 C ATOM 520 CZ PHE A 53 -2.928 -1.650 15.338 1.00 36.40 C ATOM 521 H PHE A 53 -0.019 0.086 19.076 1.00 0.00 H ATOM 522 N TRP A 54 2.839 2.594 17.570 1.00 40.78 N ATOM 523 CA TRP A 54 3.688 3.707 18.050 1.00 43.19 C ATOM 524 C TRP A 54 3.420 4.918 17.192 1.00 41.68 C ATOM 525 O TRP A 54 3.951 4.970 16.070 1.00 41.09 O ATOM 526 CB TRP A 54 5.157 3.320 18.028 1.00 44.87 C ATOM 527 CG TRP A 54 5.478 2.272 19.027 1.00 47.83 C ATOM 528 CD1 TRP A 54 5.516 0.923 18.817 1.00 47.09 C ATOM 529 CD2 TRP A 54 5.732 2.473 20.425 1.00 50.07 C ATOM 530 NE1 TRP A 54 5.843 0.276 19.974 1.00 49.53 N ATOM 531 CE2 TRP A 54 5.969 1.198 20.984 1.00 50.80 C ATOM 532 CE3 TRP A 54 5.816 3.596 21.248 1.00 51.15 C ATOM 533 CZ2 TRP A 54 6.267 1.021 22.336 1.00 51.48 C ATOM 534 CZ3 TRP A 54 6.129 3.424 22.581 1.00 52.88 C ATOM 535 CH2 TRP A 54 6.331 2.152 23.119 1.00 52.63 C ATOM 536 HE1 TRP A 54 5.975 -0.751 20.074 1.00 0.00 H ATOM 537 H TRP A 54 3.188 2.031 16.768 1.00 0.00 H ATOM 538 N LEU A 55 2.532 5.781 17.669 1.00 43.16 N ATOM 539 CA LEU A 55 2.126 7.036 17.008 1.00 44.78 C ATOM 540 C LEU A 55 3.263 8.034 17.125 1.00 46.74 C ATOM 541 O LEU A 55 4.072 7.883 18.039 1.00 47.93 O ATOM 542 CB LEU A 55 0.865 7.566 17.697 1.00 46.97 C ATOM 543 CG LEU A 55 -0.457 7.078 17.116 1.00 47.20 C ATOM 544 CD1 LEU A 55 -0.532 5.565 17.102 1.00 46.45 C ATOM 545 CD2 LEU A 55 -1.615 7.652 17.894 1.00 49.46 C ATOM 546 H LEU A 55 2.087 5.555 18.581 1.00 0.00 H ATOM 547 N HIS A 56 3.244 9.074 16.302 1.00 50.34 N ATOM 548 CA HIS A 56 4.211 10.196 16.348 1.00 55.00 C ATOM 549 C HIS A 56 4.246 10.788 17.768 1.00 58.67 C ATOM 550 O HIS A 56 3.167 10.884 18.397 1.00 60.37 O ATOM 551 CB HIS A 56 3.860 11.242 15.283 1.00 55.92 C ATOM 552 CG HIS A 56 4.980 12.186 14.997 1.00 57.18 C ATOM 553 ND1 HIS A 56 5.096 13.406 15.636 1.00 58.18 N ATOM 554 CD2 HIS A 56 6.063 12.069 14.195 1.00 55.48 C ATOM 555 CE1 HIS A 56 6.182 14.015 15.209 1.00 59.13 C ATOM 556 NE2 HIS A 56 6.791 13.216 14.325 1.00 58.64 N ATOM 557 H HIS A 56 2.500 9.104 15.576 1.00 0.00 H ATOM 558 N ASP A 57 5.440 11.173 18.245 1.00 61.71 N ATOM 559 CA ASP A 57 5.666 11.824 19.572 1.00 63.93 C ATOM 560 C ASP A 57 4.667 12.984 19.768 1.00 63.09 C ATOM 561 O ASP A 57 4.289 13.235 20.917 1.00 62.45 O ATOM 562 CB ASP A 57 7.113 12.318 19.706 1.00 68.07 C ATOM 563 CG ASP A 57 8.153 11.205 19.727 1.00 68.93 C ATOM 564 OD1 ASP A 57 7.761 10.046 19.871 1.00 69.64 O ATOM 565 OD2 ASP A 57 9.344 11.517 19.623 1.00 71.17 O ATOM 566 H ASP A 57 6.273 11.006 17.645 1.00 0.00 H ATOM 567 N SER A 58 4.195 13.595 18.672 1.00 63.30 N ATOM 568 CA SER A 58 3.248 14.750 18.665 1.00 63.08 C ATOM 569 C SER A 58 1.880 14.352 19.236 1.00 62.34 C ATOM 570 O SER A 58 1.112 15.251 19.535 1.00 62.41 O ATOM 571 CB SER A 58 3.101 15.333 17.276 1.00 62.78 C ATOM 572 OG SER A 58 2.430 14.433 16.402 1.00 60.25 O ATOM 573 HG SER A 58 2.947 13.591 16.336 1.00 0.00 H ATOM 574 H SER A 58 4.515 13.235 17.750 1.00 0.00 H ATOM 575 N PHE A 59 1.565 13.054 19.311 1.00 61.06 N ATOM 576 CA PHE A 59 0.300 12.535 19.905 1.00 60.38 C ATOM 577 C PHE A 59 0.489 12.352 21.411 1.00 63.48 C ATOM 578 O PHE A 59 1.580 12.034 21.868 1.00 63.44 O ATOM 579 CB PHE A 59 -0.123 11.215 19.239 1.00 58.88 C ATOM 580 CG PHE A 59 -0.798 11.353 17.893 1.00 56.05 C ATOM 581 CD1 PHE A 59 -0.051 11.415 16.723 1.00 55.69 C ATOM 582 CD2 PHE A 59 -2.184 11.410 17.791 1.00 55.57 C ATOM 583 CE1 PHE A 59 -0.670 11.566 15.488 1.00 54.54 C ATOM 584 CE2 PHE A 59 -2.799 11.549 16.553 1.00 55.21 C ATOM 585 CZ PHE A 59 -2.039 11.640 15.407 1.00 55.26 C ATOM 586 H PHE A 59 2.245 12.364 18.931 1.00 0.00 H ATOM 587 N PRO A 60 -0.560 12.579 22.229 1.00 67.48 N ATOM 588 CA PRO A 60 -0.563 12.117 23.615 1.00 71.20 C ATOM 589 C PRO A 60 -0.813 10.597 23.680 1.00 72.36 C ATOM 590 O PRO A 60 -1.292 10.053 22.705 1.00 72.30 O ATOM 591 CB PRO A 60 -1.704 12.935 24.255 1.00 73.07 C ATOM 592 CG PRO A 60 -2.664 13.206 23.098 1.00 70.29 C ATOM 593 CD PRO A 60 -1.777 13.328 21.874 1.00 69.22 C ATOM 594 N LYS A 61 -0.471 9.959 24.812 1.00 73.77 N ATOM 595 CA LYS A 61 -0.301 8.482 24.947 1.00 72.53 C ATOM 596 C LYS A 61 -0.107 7.881 23.561 1.00 66.78 C ATOM 597 O LYS A 61 -1.019 7.266 23.011 1.00 62.71 O ATOM 598 CB LYS A 61 -1.485 7.866 25.702 1.00 76.17 C ATOM 599 CG LYS A 61 -1.503 8.191 27.194 1.00 80.24 C ATOM 600 CD LYS A 61 -2.694 7.657 27.940 1.00 83.75 C ATOM 601 CE LYS A 61 -2.818 8.253 29.329 1.00 87.78 C ATOM 602 NZ LYS A 61 -4.087 7.860 29.987 1.00 91.58 N ATOM 603 HZ1 LYS A 61 -4.890 8.193 29.416 1.00 0.00 H ATOM 604 HZ2 LYS A 61 -4.126 6.824 30.071 1.00 0.00 H ATOM 605 HZ3 LYS A 61 -4.132 8.288 30.934 1.00 0.00 H ATOM 606 H LYS A 61 -0.312 10.539 25.660 1.00 0.00 H ATOM 607 N PRO A 62 1.076 8.103 22.937 1.00 62.03 N ATOM 608 CA PRO A 62 1.346 7.610 21.586 1.00 57.81 C ATOM 609 C PRO A 62 1.506 6.080 21.502 1.00 52.72 C ATOM 610 O PRO A 62 1.352 5.552 20.433 1.00 49.89 O ATOM 611 CB PRO A 62 2.648 8.317 21.171 1.00 57.20 C ATOM 612 CG PRO A 62 3.302 8.735 22.487 1.00 60.38 C ATOM 613 CD PRO A 62 2.167 8.926 23.469 1.00 62.50 C ATOM 614 N ARG A 63 1.836 5.422 22.613 1.00 53.06 N ATOM 615 CA ARG A 63 1.804 3.938 22.730 1.00 52.13 C ATOM 616 C ARG A 63 0.349 3.486 22.809 1.00 50.26 C ATOM 617 O ARG A 63 -0.259 3.651 23.869 1.00 50.01 O ATOM 618 CB ARG A 63 2.578 3.454 23.955 1.00 54.60 C ATOM 619 CG ARG A 63 2.818 1.953 23.972 1.00 55.57 C ATOM 620 CD ARG A 63 3.428 1.465 25.267 1.00 59.51 C ATOM 621 NE ARG A 63 3.827 0.065 25.172 1.00 62.40 N ATOM 622 CZ ARG A 63 3.212 -0.955 25.787 1.00 66.16 C ATOM 623 NH1 ARG A 63 2.177 -0.734 26.589 1.00 67.81 N ATOM 624 NH2 ARG A 63 3.651 -2.192 25.610 1.00 64.39 N ATOM 625 HE ARG A 63 4.653 -0.159 24.581 1.00 0.00 H ATOM 626 HH12 ARG A 63 1.706 -1.532 27.062 1.00 0.00 H ATOM 627 HH11 ARG A 63 1.837 0.237 26.744 1.00 0.00 H ATOM 628 HH22 ARG A 63 3.176 -2.985 26.086 1.00 0.00 H ATOM 629 HH21 ARG A 63 4.471 -2.370 24.995 1.00 0.00 H ATOM 630 H ARG A 63 2.132 5.975 23.443 1.00 0.00 H ATOM 631 N ARG A 64 -0.167 2.934 21.716 1.00 47.99 N ATOM 632 CA ARG A 64 -1.545 2.407 21.614 1.00 46.96 C ATOM 633 C ARG A 64 -1.495 0.882 21.545 1.00 44.94 C ATOM 634 O ARG A 64 -0.882 0.351 20.619 1.00 43.68 O ATOM 635 CB ARG A 64 -2.235 3.010 20.398 1.00 46.71 C ATOM 636 CG ARG A 64 -2.242 4.527 20.404 1.00 47.23 C ATOM 637 CD ARG A 64 -3.015 5.074 21.579 1.00 50.28 C ATOM 638 NE ARG A 64 -2.981 6.521 21.566 1.00 51.05 N ATOM 639 CZ ARG A 64 -3.729 7.294 20.784 1.00 51.25 C ATOM 640 NH1 ARG A 64 -3.556 8.600 20.815 1.00 54.64 N ATOM 641 NH2 ARG A 64 -4.644 6.776 19.979 1.00 50.29 N ATOM 642 HE ARG A 64 -2.321 6.992 22.218 1.00 0.00 H ATOM 643 HH12 ARG A 64 -4.134 9.216 20.208 1.00 0.00 H ATOM 644 HH11 ARG A 64 -2.841 9.015 21.446 1.00 0.00 H ATOM 645 HH22 ARG A 64 -5.218 7.399 19.376 1.00 0.00 H ATOM 646 HH21 ARG A 64 -4.788 5.746 19.950 1.00 0.00 H ATOM 647 H ARG A 64 0.440 2.868 20.874 1.00 0.00 H ATOM 648 N VAL A 65 -2.109 0.225 22.511 1.00 45.02 N ATOM 649 CA VAL A 65 -2.085 -1.247 22.668 1.00 46.56 C ATOM 650 C VAL A 65 -3.482 -1.752 22.332 1.00 45.61 C ATOM 651 O VAL A 65 -4.431 -1.213 22.881 1.00 46.84 O ATOM 652 CB VAL A 65 -1.666 -1.659 24.095 1.00 47.50 C ATOM 653 CG1 VAL A 65 -1.299 -3.133 24.174 1.00 47.22 C ATOM 654 CG2 VAL A 65 -0.534 -0.804 24.620 1.00 49.29 C ATOM 655 H VAL A 65 -2.646 0.779 23.209 1.00 0.00 H ATOM 656 N CYS A 66 -3.589 -2.699 21.410 1.00 45.12 N ATOM 657 CA CYS A 66 -4.796 -3.537 21.208 1.00 45.35 C ATOM 658 C CYS A 66 -4.473 -4.963 21.626 1.00 44.43 C ATOM 659 O CYS A 66 -3.645 -5.585 20.963 1.00 43.26 O ATOM 660 CB CYS A 66 -5.268 -3.494 19.763 1.00 44.38 C ATOM 661 SG CYS A 66 -5.770 -1.845 19.231 1.00 44.80 S ATOM 662 H CYS A 66 -2.773 -2.865 20.787 1.00 0.00 H ATOM 663 N LYS A 67 -5.097 -5.433 22.699 1.00 46.45 N ATOM 664 CA LYS A 67 -4.858 -6.765 23.286 1.00 50.88 C ATOM 665 C LYS A 67 -5.803 -7.792 22.658 1.00 50.93 C ATOM 666 O LYS A 67 -5.567 -8.983 22.870 1.00 50.35 O ATOM 667 CB LYS A 67 -5.024 -6.710 24.803 1.00 56.23 C ATOM 668 CG LYS A 67 -3.832 -6.121 25.546 1.00 60.04 C ATOM 669 CD LYS A 67 -4.052 -6.018 27.034 1.00 65.67 C ATOM 670 CE LYS A 67 -3.012 -5.167 27.728 1.00 69.92 C ATOM 671 NZ LYS A 67 -3.608 -4.397 28.845 1.00 74.38 N ATOM 672 HZ1 LYS A 67 -4.354 -3.774 28.476 1.00 0.00 H ATOM 673 HZ2 LYS A 67 -4.016 -5.055 29.539 1.00 0.00 H ATOM 674 HZ3 LYS A 67 -2.870 -3.823 29.301 1.00 0.00 H ATOM 675 H LYS A 67 -5.802 -4.821 23.157 1.00 0.00 H ATOM 676 N GLU A 68 -6.821 -7.344 21.907 1.00 50.39 N ATOM 677 CA GLU A 68 -7.770 -8.232 21.173 1.00 51.56 C ATOM 678 C GLU A 68 -8.310 -7.494 19.945 1.00 47.31 C ATOM 679 O GLU A 68 -8.111 -6.297 19.800 1.00 43.80 O ATOM 680 CB GLU A 68 -8.877 -8.745 22.112 1.00 55.90 C ATOM 681 CG GLU A 68 -9.887 -7.696 22.535 1.00 61.53 C ATOM 682 CD GLU A 68 -9.317 -6.621 23.438 1.00 65.10 C ATOM 683 OE1 GLU A 68 -8.840 -6.969 24.532 1.00 69.28 O ATOM 684 OE2 GLU A 68 -9.302 -5.443 23.018 1.00 67.57 O ATOM 685 H GLU A 68 -6.957 -6.316 21.832 1.00 0.00 H ATOM 686 N PRO A 69 -8.911 -8.205 18.968 1.00 44.38 N ATOM 687 CA PRO A 69 -9.483 -7.549 17.804 1.00 43.58 C ATOM 688 C PRO A 69 -10.565 -6.575 18.244 1.00 42.57 C ATOM 689 O PRO A 69 -11.229 -6.802 19.249 1.00 42.00 O ATOM 690 CB PRO A 69 -10.078 -8.687 16.953 1.00 44.35 C ATOM 691 CG PRO A 69 -9.424 -9.961 17.490 1.00 44.14 C ATOM 692 CD PRO A 69 -9.066 -9.661 18.932 1.00 45.25 C ATOM 693 N PRO A 70 -10.772 -5.462 17.523 1.00 42.01 N ATOM 694 CA PRO A 70 -9.950 -5.115 16.368 1.00 40.63 C ATOM 695 C PRO A 70 -8.598 -4.538 16.783 1.00 39.87 C ATOM 696 O PRO A 70 -8.536 -3.803 17.743 1.00 42.11 O ATOM 697 CB PRO A 70 -10.774 -4.049 15.638 1.00 40.62 C ATOM 698 CG PRO A 70 -11.571 -3.388 16.755 1.00 42.33 C ATOM 699 CD PRO A 70 -11.877 -4.513 17.734 1.00 43.23 C ATOM 700 N TYR A 71 -7.562 -4.880 16.047 1.00 38.94 N ATOM 701 CA TYR A 71 -6.219 -4.276 16.171 1.00 39.14 C ATOM 702 C TYR A 71 -6.170 -3.041 15.276 1.00 37.01 C ATOM 703 O TYR A 71 -5.836 -3.155 14.109 1.00 38.23 O ATOM 704 CB TYR A 71 -5.147 -5.317 15.832 1.00 39.51 C ATOM 705 CG TYR A 71 -5.292 -6.649 16.534 1.00 38.89 C ATOM 706 CD1 TYR A 71 -4.970 -6.795 17.874 1.00 38.81 C ATOM 707 CD2 TYR A 71 -5.647 -7.790 15.834 1.00 39.62 C ATOM 708 CE1 TYR A 71 -5.051 -8.025 18.512 1.00 39.67 C ATOM 709 CE2 TYR A 71 -5.737 -9.022 16.457 1.00 40.55 C ATOM 710 CZ TYR A 71 -5.432 -9.147 17.802 1.00 40.54 C ATOM 711 OH TYR A 71 -5.520 -10.378 18.425 1.00 41.19 O ATOM 712 HH TYR A 71 -5.268 -10.283 19.378 1.00 0.00 H ATOM 713 H TYR A 71 -7.697 -5.623 15.332 1.00 0.00 H ATOM 714 N LYS A 72 -6.565 -1.898 15.799 1.00 37.89 N ATOM 715 CA LYS A 72 -6.678 -0.667 14.991 1.00 40.70 C ATOM 716 C LYS A 72 -6.542 0.557 15.884 1.00 41.91 C ATOM 717 O LYS A 72 -6.833 0.464 17.066 1.00 43.10 O ATOM 718 CB LYS A 72 -8.003 -0.658 14.222 1.00 45.13 C ATOM 719 CG LYS A 72 -9.207 -0.178 15.012 1.00 47.34 C ATOM 720 CD LYS A 72 -10.502 -0.322 14.269 1.00 50.83 C ATOM 721 CE LYS A 72 -11.695 0.097 15.098 1.00 53.45 C ATOM 722 NZ LYS A 72 -12.936 0.158 14.281 1.00 56.25 N ATOM 723 HZ1 LYS A 72 -12.811 0.848 13.513 1.00 0.00 H ATOM 724 HZ2 LYS A 72 -13.130 -0.780 13.877 1.00 0.00 H ATOM 725 HZ3 LYS A 72 -13.732 0.449 14.884 1.00 0.00 H ATOM 726 H LYS A 72 -6.804 -1.862 16.810 1.00 0.00 H ATOM 727 N VAL A 73 -6.095 1.662 15.303 1.00 43.75 N ATOM 728 CA VAL A 73 -6.152 3.026 15.892 1.00 42.04 C ATOM 729 C VAL A 73 -6.927 3.905 14.930 1.00 41.16 C ATOM 730 O VAL A 73 -6.680 3.810 13.722 1.00 39.93 O ATOM 731 CB VAL A 73 -4.740 3.582 16.144 1.00 44.13 C ATOM 732 CG1 VAL A 73 -4.766 5.052 16.585 1.00 46.12 C ATOM 733 CG2 VAL A 73 -3.990 2.740 17.151 1.00 44.40 C ATOM 734 H VAL A 73 -5.670 1.567 14.359 1.00 0.00 H ATOM 735 N GLU A 74 -7.869 4.673 15.438 1.00 43.43 N ATOM 736 CA GLU A 74 -8.573 5.722 14.671 1.00 46.88 C ATOM 737 C GLU A 74 -8.206 7.076 15.260 1.00 46.53 C ATOM 738 O GLU A 74 -8.277 7.233 16.490 1.00 45.73 O ATOM 739 CB GLU A 74 -10.076 5.481 14.681 1.00 51.32 C ATOM 740 CG GLU A 74 -10.484 4.365 13.745 1.00 54.94 C ATOM 741 CD GLU A 74 -11.883 3.846 13.959 1.00 60.10 C ATOM 742 OE1 GLU A 74 -12.227 3.529 15.120 1.00 61.71 O ATOM 743 OE2 GLU A 74 -12.626 3.780 12.976 1.00 66.59 O ATOM 744 H GLU A 74 -8.132 4.533 16.434 1.00 0.00 H ATOM 745 N GLU A 75 -7.804 8.001 14.409 1.00 46.38 N ATOM 746 CA GLU A 75 -7.288 9.319 14.822 1.00 47.43 C ATOM 747 C GLU A 75 -7.598 10.337 13.743 1.00 46.00 C ATOM 748 O GLU A 75 -7.925 9.932 12.630 1.00 46.74 O ATOM 749 CB GLU A 75 -5.790 9.225 15.099 1.00 47.54 C ATOM 750 CG GLU A 75 -5.469 8.858 16.533 1.00 49.04 C ATOM 751 CD GLU A 75 -5.920 9.897 17.535 1.00 52.70 C ATOM 752 OE1 GLU A 75 -6.509 10.911 17.104 1.00 56.51 O ATOM 753 OE2 GLU A 75 -5.675 9.707 18.727 1.00 54.71 O ATOM 754 H GLU A 75 -7.854 7.789 13.392 1.00 0.00 H ATOM 755 N SER A 76 -7.582 11.600 14.115 1.00 49.60 N ATOM 756 CA SER A 76 -7.527 12.767 13.210 1.00 51.15 C ATOM 757 C SER A 76 -6.183 13.468 13.414 1.00 50.21 C ATOM 758 O SER A 76 -5.662 13.439 14.560 1.00 49.99 O ATOM 759 CB SER A 76 -8.690 13.702 13.453 1.00 53.19 C ATOM 760 OG SER A 76 -9.921 13.095 13.068 1.00 52.74 O ATOM 761 HG SER A 76 -9.889 12.870 12.104 1.00 0.00 H ATOM 762 H SER A 76 -7.611 11.793 15.136 1.00 0.00 H ATOM 763 N GLY A 77 -5.590 13.949 12.331 1.00 48.45 N ATOM 764 CA GLY A 77 -4.302 14.667 12.351 1.00 51.69 C ATOM 765 C GLY A 77 -4.139 15.552 11.130 1.00 50.10 C ATOM 766 O GLY A 77 -5.124 15.758 10.410 1.00 53.15 O ATOM 767 H GLY A 77 -6.060 13.812 11.414 1.00 0.00 H ATOM 768 N TYR A 78 -2.933 16.003 10.861 1.00 51.73 N ATOM 769 CA TYR A 78 -2.663 16.968 9.773 1.00 54.38 C ATOM 770 C TYR A 78 -1.454 16.524 8.947 1.00 52.02 C ATOM 771 O TYR A 78 -1.223 17.139 7.925 1.00 55.82 O ATOM 772 CB TYR A 78 -2.489 18.374 10.347 1.00 58.03 C ATOM 773 CG TYR A 78 -1.457 18.475 11.436 1.00 61.15 C ATOM 774 CD1 TYR A 78 -0.102 18.485 11.139 1.00 64.98 C ATOM 775 CD2 TYR A 78 -1.826 18.571 12.762 1.00 65.13 C ATOM 776 CE1 TYR A 78 0.859 18.587 12.136 1.00 67.64 C ATOM 777 CE2 TYR A 78 -0.882 18.669 13.773 1.00 67.55 C ATOM 778 CZ TYR A 78 0.467 18.674 13.462 1.00 69.54 C ATOM 779 OH TYR A 78 1.399 18.777 14.456 1.00 71.96 O ATOM 780 HH TYR A 78 2.306 18.765 14.059 1.00 0.00 H ATOM 781 H TYR A 78 -2.136 15.667 11.438 1.00 0.00 H ATOM 782 N ALA A 79 -0.744 15.461 9.344 1.00 49.20 N ATOM 783 CA ALA A 79 0.439 14.969 8.601 1.00 47.99 C ATOM 784 C ALA A 79 0.606 13.463 8.790 1.00 46.51 C ATOM 785 O ALA A 79 0.348 12.968 9.902 1.00 44.50 O ATOM 786 CB ALA A 79 1.667 15.721 9.037 1.00 48.23 C ATOM 787 H ALA A 79 -1.035 14.961 10.208 1.00 0.00 H ATOM 788 N GLY A 80 1.041 12.775 7.730 1.00 46.71 N ATOM 789 CA GLY A 80 1.478 11.369 7.773 1.00 45.09 C ATOM 790 C GLY A 80 2.778 11.221 8.546 1.00 45.44 C ATOM 791 O GLY A 80 3.407 12.221 8.821 1.00 43.26 O ATOM 792 H GLY A 80 1.073 13.265 6.813 1.00 0.00 H ATOM 793 N PHE A 81 3.158 9.996 8.878 1.00 45.59 N ATOM 794 CA PHE A 81 4.413 9.685 9.592 1.00 45.48 C ATOM 795 C PHE A 81 4.669 8.195 9.500 1.00 42.48 C ATOM 796 O PHE A 81 3.777 7.447 9.119 1.00 42.91 O ATOM 797 CB PHE A 81 4.350 10.146 11.052 1.00 45.99 C ATOM 798 CG PHE A 81 3.185 9.584 11.834 1.00 46.74 C ATOM 799 CD1 PHE A 81 1.934 10.182 11.775 1.00 46.11 C ATOM 800 CD2 PHE A 81 3.340 8.456 12.631 1.00 46.91 C ATOM 801 CE1 PHE A 81 0.865 9.660 12.487 1.00 45.54 C ATOM 802 CE2 PHE A 81 2.264 7.918 13.311 1.00 46.70 C ATOM 803 CZ PHE A 81 1.029 8.530 13.248 1.00 45.90 C ATOM 804 H PHE A 81 2.534 9.205 8.620 1.00 0.00 H ATOM 805 N ILE A 82 5.868 7.808 9.864 1.00 43.06 N ATOM 806 CA ILE A 82 6.324 6.403 9.958 1.00 44.05 C ATOM 807 C ILE A 82 5.918 5.866 11.320 1.00 41.87 C ATOM 808 O ILE A 82 6.324 6.451 12.337 1.00 42.40 O ATOM 809 CB ILE A 82 7.842 6.328 9.737 1.00 45.53 C ATOM 810 CG1 ILE A 82 8.230 6.872 8.362 1.00 48.12 C ATOM 811 CG2 ILE A 82 8.337 4.918 9.948 1.00 47.55 C ATOM 812 CD1 ILE A 82 7.506 6.221 7.209 1.00 49.35 C ATOM 813 H ILE A 82 6.555 8.550 10.107 1.00 0.00 H ATOM 814 N MET A 83 5.117 4.821 11.333 1.00 39.73 N ATOM 815 CA MET A 83 4.554 4.248 12.566 1.00 40.20 C ATOM 816 C MET A 83 5.155 2.867 12.788 1.00 41.51 C ATOM 817 O MET A 83 4.928 1.945 11.995 1.00 40.31 O ATOM 818 CB MET A 83 3.038 4.128 12.447 1.00 39.78 C ATOM 819 CG MET A 83 2.391 3.559 13.682 1.00 39.85 C ATOM 820 SD MET A 83 0.635 3.301 13.448 1.00 40.43 S ATOM 821 CE MET A 83 0.071 4.991 13.259 1.00 40.63 C ATOM 822 H MET A 83 4.870 4.378 10.425 1.00 0.00 H ATOM 823 N PRO A 84 5.971 2.688 13.840 1.00 41.24 N ATOM 824 CA PRO A 84 6.343 1.355 14.273 1.00 41.41 C ATOM 825 C PRO A 84 5.086 0.619 14.755 1.00 41.41 C ATOM 826 O PRO A 84 4.282 1.205 15.452 1.00 41.38 O ATOM 827 CB PRO A 84 7.391 1.585 15.388 1.00 41.69 C ATOM 828 CG PRO A 84 7.878 3.023 15.153 1.00 43.24 C ATOM 829 CD PRO A 84 6.668 3.745 14.587 1.00 42.95 C ATOM 830 N ILE A 85 4.896 -0.599 14.273 1.00 41.04 N ATOM 831 CA ILE A 85 3.812 -1.512 14.713 1.00 39.88 C ATOM 832 C ILE A 85 4.466 -2.802 15.175 1.00 40.95 C ATOM 833 O ILE A 85 5.240 -3.385 14.396 1.00 41.39 O ATOM 834 CB ILE A 85 2.801 -1.743 13.589 1.00 40.00 C ATOM 835 CG1 ILE A 85 2.255 -0.420 13.053 1.00 40.85 C ATOM 836 CG2 ILE A 85 1.676 -2.667 14.042 1.00 39.93 C ATOM 837 CD1 ILE A 85 1.411 -0.573 11.814 1.00 42.42 C ATOM 838 H ILE A 85 5.549 -0.938 13.538 1.00 0.00 H ATOM 839 N GLU A 86 4.294 -3.123 16.449 1.00 43.20 N ATOM 840 CA GLU A 86 4.773 -4.374 17.064 1.00 44.93 C ATOM 841 C GLU A 86 3.614 -5.342 17.146 1.00 42.45 C ATOM 842 O GLU A 86 2.607 -4.987 17.753 1.00 41.65 O ATOM 843 CB GLU A 86 5.296 -4.132 18.475 1.00 48.45 C ATOM 844 CG GLU A 86 6.515 -3.264 18.538 1.00 52.37 C ATOM 845 CD GLU A 86 6.997 -3.050 19.959 1.00 55.81 C ATOM 846 OE1 GLU A 86 6.170 -3.180 20.905 1.00 56.39 O ATOM 847 OE2 GLU A 86 8.177 -2.780 20.122 1.00 62.74 O ATOM 848 H GLU A 86 3.787 -2.447 17.056 1.00 0.00 H ATOM 849 N VAL A 87 3.784 -6.526 16.587 1.00 42.37 N ATOM 850 CA VAL A 87 2.827 -7.650 16.721 1.00 42.27 C ATOM 851 C VAL A 87 3.448 -8.690 17.650 1.00 41.25 C ATOM 852 O VAL A 87 4.469 -9.308 17.271 1.00 39.80 O ATOM 853 CB VAL A 87 2.465 -8.227 15.350 1.00 42.09 C ATOM 854 CG1 VAL A 87 1.483 -9.371 15.476 1.00 42.91 C ATOM 855 CG2 VAL A 87 1.928 -7.148 14.420 1.00 41.88 C ATOM 856 H VAL A 87 4.641 -6.679 16.018 1.00 0.00 H ATOM 857 N HIS A 88 2.971 -8.733 18.878 1.00 41.46 N ATOM 858 CA HIS A 88 3.479 -9.629 19.934 1.00 42.28 C ATOM 859 C HIS A 88 2.782 -10.969 19.809 1.00 42.18 C ATOM 860 O HIS A 88 1.562 -10.973 19.576 1.00 43.41 O ATOM 861 CB HIS A 88 3.294 -8.991 21.305 1.00 43.74 C ATOM 862 CG HIS A 88 4.087 -7.745 21.477 1.00 45.30 C ATOM 863 ND1 HIS A 88 5.193 -7.688 22.283 1.00 48.54 N ATOM 864 CD2 HIS A 88 3.967 -6.529 20.915 1.00 46.04 C ATOM 865 CE1 HIS A 88 5.703 -6.474 22.242 1.00 48.18 C ATOM 866 NE2 HIS A 88 4.975 -5.750 21.406 1.00 46.79 N ATOM 867 H HIS A 88 2.186 -8.094 19.118 1.00 0.00 H ATOM 868 N PHE A 89 3.539 -12.055 19.949 1.00 42.11 N ATOM 869 CA PHE A 89 3.061 -13.439 19.786 1.00 44.27 C ATOM 870 C PHE A 89 2.814 -14.066 21.157 1.00 45.84 C ATOM 871 O PHE A 89 3.497 -13.718 22.122 1.00 46.86 O ATOM 872 CB PHE A 89 4.052 -14.279 18.985 1.00 43.35 C ATOM 873 CG PHE A 89 4.427 -13.710 17.648 1.00 43.01 C ATOM 874 CD1 PHE A 89 3.472 -13.163 16.813 1.00 41.32 C ATOM 875 CD2 PHE A 89 5.756 -13.685 17.236 1.00 42.38 C ATOM 876 CE1 PHE A 89 3.837 -12.592 15.599 1.00 41.72 C ATOM 877 CE2 PHE A 89 6.108 -13.153 16.008 1.00 41.83 C ATOM 878 CZ PHE A 89 5.150 -12.604 15.193 1.00 40.19 C ATOM 879 H PHE A 89 4.541 -11.916 20.191 1.00 0.00 H ATOM 880 N LYS A 90 1.877 -15.006 21.207 1.00 48.10 N ATOM 881 CA LYS A 90 1.673 -15.938 22.351 1.00 50.02 C ATOM 882 C LYS A 90 2.679 -17.090 22.225 1.00 50.92 C ATOM 883 O LYS A 90 2.261 -18.248 22.278 1.00 51.71 O ATOM 884 CB LYS A 90 0.217 -16.398 22.366 1.00 48.92 C ATOM 885 CG LYS A 90 -0.797 -15.275 22.478 1.00 48.13 C ATOM 886 CD LYS A 90 -2.213 -15.765 22.389 1.00 49.76 C ATOM 887 CE LYS A 90 -3.219 -14.695 22.718 1.00 50.04 C ATOM 888 NZ LYS A 90 -4.562 -15.044 22.209 1.00 52.45 N ATOM 889 HZ1 LYS A 90 -4.522 -15.154 21.176 1.00 0.00 H ATOM 890 HZ2 LYS A 90 -4.874 -15.936 22.642 1.00 0.00 H ATOM 891 HZ3 LYS A 90 -5.231 -14.286 22.452 1.00 0.00 H ATOM 892 H LYS A 90 1.241 -15.098 20.390 1.00 0.00 H ATOM 893 N ASN A 91 3.954 -16.744 22.004 1.00 53.32 N ATOM 894 CA ASN A 91 5.094 -17.674 21.781 1.00 55.08 C ATOM 895 C ASN A 91 5.987 -17.621 23.015 1.00 56.81 C ATOM 896 O ASN A 91 6.292 -16.513 23.479 1.00 57.95 O ATOM 897 CB ASN A 91 5.906 -17.307 20.530 1.00 54.15 C ATOM 898 CG ASN A 91 6.880 -18.391 20.097 1.00 54.97 C ATOM 899 OD1 ASN A 91 6.984 -19.446 20.733 1.00 58.24 O ATOM 900 ND2 ASN A 91 7.607 -18.137 19.018 1.00 53.26 N ATOM 901 HD22 ASN A 91 7.489 -17.236 18.511 1.00 0.00 H ATOM 902 HD21 ASN A 91 8.296 -18.838 18.678 1.00 0.00 H ATOM 903 H ASN A 91 4.168 -15.726 21.987 1.00 0.00 H ATOM 904 N LYS A 92 6.384 -18.770 23.518 1.00 58.38 N ATOM 905 CA LYS A 92 7.159 -18.879 24.765 1.00 63.25 C ATOM 906 C LYS A 92 8.643 -18.739 24.425 1.00 61.40 C ATOM 907 O LYS A 92 9.396 -18.406 25.321 1.00 64.72 O ATOM 908 CB LYS A 92 6.814 -20.194 25.465 1.00 67.25 C ATOM 909 CG LYS A 92 5.341 -20.575 25.388 1.00 69.61 C ATOM 910 CD LYS A 92 4.868 -21.454 26.514 1.00 75.89 C ATOM 911 CE LYS A 92 3.381 -21.320 26.769 1.00 78.62 C ATOM 912 NZ LYS A 92 2.795 -22.589 27.256 1.00 82.29 N ATOM 913 HZ1 LYS A 92 2.941 -23.333 26.544 1.00 0.00 H ATOM 914 HZ2 LYS A 92 3.258 -22.864 28.146 1.00 0.00 H ATOM 915 HZ3 LYS A 92 1.776 -22.459 27.419 1.00 0.00 H ATOM 916 H LYS A 92 6.138 -19.644 23.010 1.00 0.00 H ATOM 917 N GLU A 93 9.012 -18.911 23.147 1.00 59.35 N ATOM 918 CA GLU A 93 10.417 -18.809 22.651 1.00 59.29 C ATOM 919 C GLU A 93 10.494 -17.734 21.550 1.00 55.15 C ATOM 920 O GLU A 93 9.440 -17.162 21.205 1.00 51.00 O ATOM 921 CB GLU A 93 10.911 -20.178 22.148 1.00 63.38 C ATOM 922 CG GLU A 93 10.364 -20.581 20.772 1.00 66.04 C ATOM 923 CD GLU A 93 10.866 -21.921 20.212 1.00 67.48 C ATOM 924 OE1 GLU A 93 11.618 -22.622 20.920 1.00 65.00 O ATOM 925 OE2 GLU A 93 10.483 -22.264 19.058 1.00 68.79 O ATOM 926 H GLU A 93 8.269 -19.131 22.454 1.00 0.00 H ATOM 927 N GLU A 94 11.678 -17.522 20.971 1.00 49.64 N ATOM 928 CA GLU A 94 11.878 -16.559 19.857 1.00 48.75 C ATOM 929 C GLU A 94 11.309 -17.153 18.578 1.00 51.01 C ATOM 930 O GLU A 94 11.330 -18.367 18.386 1.00 52.47 O ATOM 931 CB GLU A 94 13.356 -16.203 19.677 1.00 48.29 C ATOM 932 CG GLU A 94 13.967 -15.550 20.893 1.00 47.89 C ATOM 933 CD GLU A 94 15.403 -15.050 20.713 1.00 50.21 C ATOM 934 OE1 GLU A 94 16.029 -15.336 19.651 1.00 49.16 O ATOM 935 OE2 GLU A 94 15.905 -14.402 21.636 1.00 51.29 O ATOM 936 H GLU A 94 12.500 -18.057 21.316 1.00 0.00 H ATOM 937 N PRO A 95 10.770 -16.314 17.666 1.00 51.64 N ATOM 938 CA PRO A 95 10.549 -14.893 17.955 1.00 50.96 C ATOM 939 C PRO A 95 9.281 -14.582 18.776 1.00 48.46 C ATOM 940 O PRO A 95 8.295 -15.268 18.663 1.00 47.29 O ATOM 941 CB PRO A 95 10.468 -14.248 16.568 1.00 51.51 C ATOM 942 CG PRO A 95 10.017 -15.375 15.643 1.00 51.91 C ATOM 943 CD PRO A 95 10.530 -16.654 16.265 1.00 52.01 C ATOM 944 N ARG A 96 9.370 -13.548 19.593 1.00 49.75 N ATOM 945 CA ARG A 96 8.368 -13.169 20.610 1.00 52.23 C ATOM 946 C ARG A 96 7.438 -12.135 20.008 1.00 49.22 C ATOM 947 O ARG A 96 6.329 -11.980 20.499 1.00 50.23 O ATOM 948 CB ARG A 96 9.081 -12.612 21.838 1.00 56.04 C ATOM 949 CG ARG A 96 10.161 -13.535 22.378 1.00 63.57 C ATOM 950 CD ARG A 96 9.563 -14.851 22.821 1.00 68.19 C ATOM 951 NE ARG A 96 8.532 -14.607 23.800 1.00 70.58 N ATOM 952 CZ ARG A 96 8.767 -14.285 25.058 1.00 76.67 C ATOM 953 NH1 ARG A 96 7.757 -14.038 25.875 1.00 80.98 N ATOM 954 NH2 ARG A 96 10.012 -14.232 25.507 1.00 79.97 N ATOM 955 HE ARG A 96 7.541 -14.690 23.495 1.00 0.00 H ATOM 956 HH12 ARG A 96 7.940 -13.784 26.867 1.00 0.00 H ATOM 957 HH11 ARG A 96 6.779 -14.098 25.526 1.00 0.00 H ATOM 958 HH22 ARG A 96 10.197 -13.978 26.498 1.00 0.00 H ATOM 959 HH21 ARG A 96 10.805 -14.444 24.868 1.00 0.00 H ATOM 960 H ARG A 96 10.217 -12.950 19.514 1.00 0.00 H ATOM 961 N LYS A 97 7.904 -11.457 18.976 1.00 47.47 N ATOM 962 CA LYS A 97 7.162 -10.384 18.297 1.00 47.71 C ATOM 963 C LYS A 97 7.818 -10.128 16.956 1.00 46.26 C ATOM 964 O LYS A 97 8.892 -10.682 16.713 1.00 45.30 O ATOM 965 CB LYS A 97 7.177 -9.108 19.122 1.00 46.71 C ATOM 966 CG LYS A 97 8.500 -8.377 19.065 1.00 50.06 C ATOM 967 CD LYS A 97 8.645 -7.305 20.068 1.00 52.11 C ATOM 968 CE LYS A 97 10.078 -6.864 20.214 1.00 53.19 C ATOM 969 NZ LYS A 97 10.146 -5.604 20.966 1.00 58.14 N ATOM 970 HZ1 LYS A 97 9.613 -4.869 20.458 1.00 0.00 H ATOM 971 HZ2 LYS A 97 9.734 -5.743 21.911 1.00 0.00 H ATOM 972 HZ3 LYS A 97 11.139 -5.311 21.060 1.00 0.00 H ATOM 973 H LYS A 97 8.852 -11.696 18.622 1.00 0.00 H ATOM 974 N VAL A 98 7.166 -9.342 16.122 1.00 44.04 N ATOM 975 CA VAL A 98 7.714 -8.852 14.843 1.00 43.49 C ATOM 976 C VAL A 98 7.377 -7.371 14.738 1.00 45.05 C ATOM 977 O VAL A 98 6.318 -6.950 15.267 1.00 44.82 O ATOM 978 CB VAL A 98 7.171 -9.661 13.660 1.00 44.51 C ATOM 979 CG1 VAL A 98 5.658 -9.532 13.531 1.00 44.54 C ATOM 980 CG2 VAL A 98 7.863 -9.296 12.361 1.00 43.81 C ATOM 981 H VAL A 98 6.203 -9.048 16.383 1.00 0.00 H ATOM 982 N CYS A 99 8.272 -6.605 14.144 1.00 46.51 N ATOM 983 CA CYS A 99 8.227 -5.132 14.108 1.00 49.91 C ATOM 984 C CYS A 99 8.174 -4.664 12.667 1.00 46.72 C ATOM 985 O CYS A 99 8.957 -5.158 11.846 1.00 48.03 O ATOM 986 CB CYS A 99 9.415 -4.555 14.846 1.00 53.80 C ATOM 987 SG CYS A 99 9.517 -5.212 16.526 1.00 63.66 S ATOM 988 H CYS A 99 9.067 -7.075 13.666 1.00 0.00 H ATOM 989 N PHE A 100 7.159 -3.899 12.353 1.00 43.28 N ATOM 990 CA PHE A 100 6.972 -3.286 11.035 1.00 42.94 C ATOM 991 C PHE A 100 7.157 -1.796 11.204 1.00 42.39 C ATOM 992 O PHE A 100 6.860 -1.268 12.284 1.00 42.40 O ATOM 993 CB PHE A 100 5.595 -3.635 10.458 1.00 41.97 C ATOM 994 CG PHE A 100 5.330 -5.110 10.328 1.00 41.40 C ATOM 995 CD1 PHE A 100 5.923 -5.852 9.324 1.00 42.55 C ATOM 996 CD2 PHE A 100 4.484 -5.759 11.215 1.00 42.42 C ATOM 997 CE1 PHE A 100 5.685 -7.214 9.213 1.00 43.23 C ATOM 998 CE2 PHE A 100 4.245 -7.126 11.101 1.00 41.53 C ATOM 999 CZ PHE A 100 4.832 -7.842 10.090 1.00 41.13 C ATOM 1000 H PHE A 100 6.442 -3.715 13.083 1.00 0.00 H ATOM 1001 N THR A 101 7.664 -1.166 10.170 1.00 41.61 N ATOM 1002 CA THR A 101 7.719 0.292 9.988 1.00 42.29 C ATOM 1003 C THR A 101 6.626 0.665 9.005 1.00 40.73 C ATOM 1004 O THR A 101 6.800 0.358 7.824 1.00 41.55 O ATOM 1005 CB THR A 101 9.110 0.674 9.483 1.00 43.47 C ATOM 1006 OG1 THR A 101 9.982 0.190 10.488 1.00 49.08 O ATOM 1007 CG2 THR A 101 9.308 2.148 9.272 1.00 46.48 C ATOM 1008 HG1 THR A 101 10.918 0.397 10.239 1.00 0.00 H ATOM 1009 H THR A 101 8.064 -1.752 9.409 1.00 0.00 H ATOM 1010 N TYR A 102 5.485 1.147 9.486 1.00 40.79 N ATOM 1011 CA TYR A 102 4.317 1.403 8.618 1.00 41.13 C ATOM 1012 C TYR A 102 4.339 2.856 8.134 1.00 40.45 C ATOM 1013 O TYR A 102 4.492 3.775 8.949 1.00 41.45 O ATOM 1014 CB TYR A 102 3.000 1.040 9.293 1.00 40.28 C ATOM 1015 CG TYR A 102 1.864 1.021 8.312 1.00 40.77 C ATOM 1016 CD1 TYR A 102 1.655 -0.069 7.488 1.00 41.60 C ATOM 1017 CD2 TYR A 102 1.112 2.157 8.079 1.00 41.04 C ATOM 1018 CE1 TYR A 102 0.682 -0.052 6.502 1.00 41.48 C ATOM 1019 CE2 TYR A 102 0.109 2.180 7.128 1.00 40.27 C ATOM 1020 CZ TYR A 102 -0.091 1.085 6.316 1.00 40.75 C ATOM 1021 OH TYR A 102 -1.055 1.121 5.352 1.00 40.14 O ATOM 1022 HH TYR A 102 -0.860 1.858 4.720 1.00 0.00 H ATOM 1023 H TYR A 102 5.412 1.350 10.503 1.00 0.00 H ATOM 1024 N ASP A 103 4.260 3.029 6.817 1.00 41.71 N ATOM 1025 CA ASP A 103 4.159 4.343 6.150 1.00 44.57 C ATOM 1026 C ASP A 103 2.702 4.824 6.228 1.00 42.51 C ATOM 1027 O ASP A 103 1.926 4.492 5.324 1.00 42.64 O ATOM 1028 CB ASP A 103 4.637 4.256 4.707 1.00 46.95 C ATOM 1029 CG ASP A 103 4.632 5.595 3.997 1.00 52.84 C ATOM 1030 OD1 ASP A 103 4.460 6.645 4.704 1.00 56.59 O ATOM 1031 OD2 ASP A 103 4.757 5.594 2.730 1.00 58.19 O ATOM 1032 H ASP A 103 4.270 2.180 6.216 1.00 0.00 H ATOM 1033 N LEU A 104 2.354 5.574 7.265 1.00 40.45 N ATOM 1034 CA LEU A 104 1.019 6.218 7.378 1.00 42.33 C ATOM 1035 C LEU A 104 1.035 7.560 6.657 1.00 42.83 C ATOM 1036 O LEU A 104 1.316 8.579 7.315 1.00 43.64 O ATOM 1037 CB LEU A 104 0.645 6.412 8.838 1.00 42.83 C ATOM 1038 CG LEU A 104 -0.786 6.872 9.041 1.00 45.70 C ATOM 1039 CD1 LEU A 104 -1.730 5.696 8.909 1.00 48.45 C ATOM 1040 CD2 LEU A 104 -0.951 7.542 10.377 1.00 46.98 C ATOM 1041 H LEU A 104 3.043 5.717 8.030 1.00 0.00 H ATOM 1042 N PHE A 105 0.708 7.564 5.372 1.00 43.43 N ATOM 1043 CA PHE A 105 0.614 8.796 4.560 1.00 46.77 C ATOM 1044 C PHE A 105 -0.857 9.187 4.402 1.00 45.59 C ATOM 1045 O PHE A 105 -1.770 8.298 4.425 1.00 44.14 O ATOM 1046 CB PHE A 105 1.318 8.625 3.214 1.00 46.17 C ATOM 1047 CG PHE A 105 0.769 7.514 2.378 1.00 47.11 C ATOM 1048 CD1 PHE A 105 1.278 6.231 2.490 1.00 48.05 C ATOM 1049 CD2 PHE A 105 -0.284 7.738 1.511 1.00 48.54 C ATOM 1050 CE1 PHE A 105 0.763 5.199 1.725 1.00 50.00 C ATOM 1051 CE2 PHE A 105 -0.808 6.703 0.754 1.00 49.19 C ATOM 1052 CZ PHE A 105 -0.272 5.441 0.849 1.00 51.24 C ATOM 1053 H PHE A 105 0.507 6.653 4.911 1.00 0.00 H ATOM 1054 N LEU A 106 -1.073 10.479 4.209 1.00 46.25 N ATOM 1055 CA LEU A 106 -2.401 11.101 4.031 1.00 47.32 C ATOM 1056 C LEU A 106 -2.565 11.510 2.567 1.00 48.93 C ATOM 1057 O LEU A 106 -1.551 11.614 1.879 1.00 49.99 O ATOM 1058 CB LEU A 106 -2.498 12.303 4.961 1.00 46.52 C ATOM 1059 CG LEU A 106 -2.265 12.014 6.439 1.00 45.87 C ATOM 1060 CD1 LEU A 106 -2.539 13.261 7.261 1.00 49.85 C ATOM 1061 CD2 LEU A 106 -3.132 10.872 6.914 1.00 47.60 C ATOM 1062 H LEU A 106 -0.243 11.105 4.180 1.00 0.00 H ATOM 1063 N ASN A 107 -3.810 11.639 2.104 1.00 49.31 N ATOM 1064 CA ASN A 107 -4.154 12.226 0.792 1.00 52.24 C ATOM 1065 C ASN A 107 -4.143 13.747 0.961 1.00 57.23 C ATOM 1066 O ASN A 107 -4.740 14.241 1.927 1.00 58.27 O ATOM 1067 CB ASN A 107 -5.490 11.688 0.250 1.00 51.65 C ATOM 1068 CG ASN A 107 -6.681 12.012 1.135 1.00 52.26 C ATOM 1069 OD1 ASN A 107 -6.622 11.870 2.356 1.00 48.47 O ATOM 1070 ND2 ASN A 107 -7.770 12.464 0.527 1.00 54.17 N ATOM 1071 HD22 ASN A 107 -7.782 12.571 -0.507 1.00 0.00 H ATOM 1072 HD21 ASN A 107 -8.612 12.712 1.085 1.00 0.00 H ATOM 1073 H ASN A 107 -4.589 11.304 2.706 1.00 0.00 H ATOM 1074 N LEU A 108 -3.428 14.455 0.117 1.00 63.03 N ATOM 1075 CA LEU A 108 -3.393 15.928 0.174 1.00 71.01 C ATOM 1076 C LEU A 108 -3.921 16.483 -1.137 1.00 73.93 C ATOM 1077 O LEU A 108 -4.124 15.681 -2.061 1.00 70.79 O ATOM 1078 CB LEU A 108 -1.966 16.391 0.476 1.00 77.24 C ATOM 1079 CG LEU A 108 -0.874 15.826 -0.429 1.00 80.16 C ATOM 1080 CD1 LEU A 108 -0.621 16.748 -1.611 1.00 82.47 C ATOM 1081 CD2 LEU A 108 0.410 15.594 0.361 1.00 80.84 C ATOM 1082 H LEU A 108 -2.871 13.963 -0.611 1.00 0.00 H ATOM 1083 N GLU A 109 -4.274 17.775 -1.133 1.00 79.51 N ATOM 1084 CA GLU A 109 -4.732 18.572 -2.308 1.00 82.74 C ATOM 1085 C GLU A 109 -5.818 17.800 -3.059 1.00 77.40 C ATOM 1086 O GLU A 109 -5.570 17.392 -4.198 1.00 77.53 O ATOM 1087 CB GLU A 109 -3.552 18.915 -3.232 1.00 92.12 C ATOM 1088 CG GLU A 109 -3.938 19.844 -4.395 1.00 97.80 C ATOM 1089 CD GLU A 109 -2.837 20.757 -4.925 1.00101.86 C ATOM 1090 OE1 GLU A 109 -1.652 20.516 -4.608 1.00108.24 O ATOM 1091 OE2 GLU A 109 -3.170 21.715 -5.645 1.00102.56 O ATOM 1092 H GLU A 109 -4.224 18.272 -0.221 1.00 0.00 H ATOM 1093 N GLY A 110 -6.968 17.596 -2.429 1.00 72.78 N ATOM 1094 CA GLY A 110 -8.157 17.009 -3.076 1.00 73.14 C ATOM 1095 C GLY A 110 -7.812 15.776 -3.907 1.00 72.12 C ATOM 1096 O GLY A 110 -8.361 15.634 -5.016 1.00 75.32 O ATOM 1097 H GLY A 110 -7.035 17.864 -1.426 1.00 0.00 H ATOM 1098 N ASN A 111 -6.948 14.908 -3.391 1.00 68.33 N ATOM 1099 CA ASN A 111 -6.756 13.531 -3.912 1.00 66.01 C ATOM 1100 C ASN A 111 -7.812 12.631 -3.308 1.00 60.25 C ATOM 1101 O ASN A 111 -8.241 12.854 -2.190 1.00 57.18 O ATOM 1102 CB ASN A 111 -5.371 12.975 -3.592 1.00 65.98 C ATOM 1103 CG ASN A 111 -4.334 13.417 -4.589 1.00 68.68 C ATOM 1104 OD1 ASN A 111 -4.665 13.749 -5.725 1.00 70.97 O ATOM 1105 ND2 ASN A 111 -3.082 13.447 -4.169 1.00 70.12 N ATOM 1106 HD22 ASN A 111 -2.852 13.156 -3.197 1.00 0.00 H ATOM 1107 HD21 ASN A 111 -2.326 13.762 -4.810 1.00 0.00 H ATOM 1108 H ASN A 111 -6.375 15.210 -2.577 1.00 0.00 H ATOM 1109 N PRO A 112 -8.195 11.540 -3.989 1.00 58.89 N ATOM 1110 CA PRO A 112 -9.090 10.560 -3.396 1.00 59.00 C ATOM 1111 C PRO A 112 -8.610 10.130 -2.008 1.00 58.03 C ATOM 1112 O PRO A 112 -7.425 10.265 -1.681 1.00 56.27 O ATOM 1113 CB PRO A 112 -9.046 9.389 -4.394 1.00 60.63 C ATOM 1114 CG PRO A 112 -8.688 10.041 -5.718 1.00 62.44 C ATOM 1115 CD PRO A 112 -7.767 11.182 -5.346 1.00 61.86 C ATOM 1116 N PRO A 113 -9.523 9.637 -1.136 1.00 55.81 N ATOM 1117 CA PRO A 113 -9.128 8.985 0.105 1.00 52.84 C ATOM 1118 C PRO A 113 -8.103 7.863 -0.128 1.00 49.78 C ATOM 1119 O PRO A 113 -8.023 7.343 -1.227 1.00 49.40 O ATOM 1120 CB PRO A 113 -10.441 8.408 0.651 1.00 53.96 C ATOM 1121 CG PRO A 113 -11.499 9.346 0.096 1.00 56.20 C ATOM 1122 CD PRO A 113 -10.986 9.731 -1.281 1.00 57.15 C ATOM 1123 N VAL A 114 -7.281 7.618 0.880 1.00 46.45 N ATOM 1124 CA VAL A 114 -6.243 6.547 0.915 1.00 47.20 C ATOM 1125 C VAL A 114 -6.883 5.278 1.489 1.00 44.11 C ATOM 1126 O VAL A 114 -7.553 5.365 2.519 1.00 44.56 O ATOM 1127 CB VAL A 114 -5.033 6.999 1.753 1.00 48.13 C ATOM 1128 CG1 VAL A 114 -4.092 5.846 2.067 1.00 50.78 C ATOM 1129 CG2 VAL A 114 -4.295 8.151 1.089 1.00 49.70 C ATOM 1130 H VAL A 114 -7.366 8.225 1.720 1.00 0.00 H ATOM 1131 N ASN A 115 -6.730 4.158 0.818 1.00 43.57 N ATOM 1132 CA ASN A 115 -7.229 2.848 1.319 1.00 41.98 C ATOM 1133 C ASN A 115 -6.190 1.807 0.951 1.00 40.61 C ATOM 1134 O ASN A 115 -6.185 1.360 -0.227 1.00 40.32 O ATOM 1135 CB ASN A 115 -8.633 2.544 0.797 1.00 42.78 C ATOM 1136 CG ASN A 115 -9.279 1.333 1.440 1.00 43.72 C ATOM 1137 OD1 ASN A 115 -8.711 0.702 2.344 1.00 44.58 O ATOM 1138 ND2 ASN A 115 -10.441 0.965 0.939 1.00 44.16 N ATOM 1139 HD22 ASN A 115 -10.881 1.525 0.181 1.00 0.00 H ATOM 1140 HD21 ASN A 115 -10.918 0.115 1.302 1.00 0.00 H ATOM 1141 H ASN A 115 -6.241 4.188 -0.099 1.00 0.00 H ATOM 1142 N HIS A 116 -5.212 1.631 1.836 1.00 39.96 N ATOM 1143 CA HIS A 116 -3.973 0.870 1.566 1.00 42.43 C ATOM 1144 C HIS A 116 -3.937 -0.398 2.386 1.00 39.75 C ATOM 1145 O HIS A 116 -4.369 -0.374 3.545 1.00 39.38 O ATOM 1146 CB HIS A 116 -2.735 1.710 1.806 1.00 45.26 C ATOM 1147 CG HIS A 116 -2.152 2.188 0.538 1.00 50.13 C ATOM 1148 ND1 HIS A 116 -1.187 1.479 -0.118 1.00 52.77 N ATOM 1149 CD2 HIS A 116 -2.518 3.219 -0.282 1.00 54.67 C ATOM 1150 CE1 HIS A 116 -0.902 2.085 -1.263 1.00 58.64 C ATOM 1151 NE2 HIS A 116 -1.702 3.175 -1.379 1.00 59.01 N ATOM 1152 H HIS A 116 -5.326 2.056 2.778 1.00 0.00 H ATOM 1153 N LEU A 117 -3.321 -1.418 1.818 1.00 40.88 N ATOM 1154 CA LEU A 117 -3.150 -2.741 2.434 1.00 40.93 C ATOM 1155 C LEU A 117 -1.724 -3.239 2.168 1.00 39.70 C ATOM 1156 O LEU A 117 -1.246 -3.155 1.027 1.00 39.64 O ATOM 1157 CB LEU A 117 -4.199 -3.697 1.868 1.00 42.46 C ATOM 1158 CG LEU A 117 -4.413 -4.973 2.679 1.00 44.89 C ATOM 1159 CD1 LEU A 117 -5.049 -4.658 4.025 1.00 45.16 C ATOM 1160 CD2 LEU A 117 -5.261 -5.960 1.909 1.00 47.04 C ATOM 1161 H LEU A 117 -2.928 -1.275 0.866 1.00 0.00 H ATOM 1162 N ARG A 118 -1.100 -3.754 3.197 1.00 37.80 N ATOM 1163 CA ARG A 118 0.261 -4.306 3.154 1.00 41.09 C ATOM 1164 C ARG A 118 0.189 -5.749 3.641 1.00 39.64 C ATOM 1165 O ARG A 118 -0.183 -5.951 4.799 1.00 39.52 O ATOM 1166 CB ARG A 118 1.139 -3.409 4.017 1.00 41.11 C ATOM 1167 CG ARG A 118 2.523 -3.937 4.300 1.00 42.56 C ATOM 1168 CD ARG A 118 3.290 -2.911 5.115 1.00 41.31 C ATOM 1169 NE ARG A 118 4.498 -3.504 5.633 1.00 41.63 N ATOM 1170 CZ ARG A 118 5.460 -2.847 6.244 1.00 40.89 C ATOM 1171 NH1 ARG A 118 5.367 -1.538 6.438 1.00 39.51 N ATOM 1172 NH2 ARG A 118 6.520 -3.503 6.651 1.00 42.86 N ATOM 1173 HE ARG A 118 4.618 -4.530 5.514 1.00 0.00 H ATOM 1174 HH12 ARG A 118 6.133 -1.028 6.922 1.00 0.00 H ATOM 1175 HH11 ARG A 118 4.528 -1.021 6.106 1.00 0.00 H ATOM 1176 HH22 ARG A 118 7.289 -2.998 7.136 1.00 0.00 H ATOM 1177 HH21 ARG A 118 6.591 -4.528 6.489 1.00 0.00 H ATOM 1178 H ARG A 118 -1.602 -3.774 4.108 1.00 0.00 H ATOM 1179 N CYS A 119 0.366 -6.700 2.753 1.00 40.37 N ATOM 1180 CA CYS A 119 0.248 -8.137 3.073 1.00 43.89 C ATOM 1181 C CYS A 119 1.608 -8.662 3.516 1.00 43.24 C ATOM 1182 O CYS A 119 2.590 -8.381 2.827 1.00 44.92 O ATOM 1183 CB CYS A 119 -0.293 -8.902 1.885 1.00 46.58 C ATOM 1184 SG CYS A 119 -1.961 -8.368 1.432 1.00 50.37 S ATOM 1185 H CYS A 119 0.601 -6.428 1.777 1.00 0.00 H ATOM 1186 N GLU A 120 1.671 -9.271 4.695 1.00 43.48 N ATOM 1187 CA GLU A 120 2.924 -9.822 5.271 1.00 43.96 C ATOM 1188 C GLU A 120 2.744 -11.318 5.500 1.00 45.83 C ATOM 1189 O GLU A 120 1.702 -11.716 6.026 1.00 44.90 O ATOM 1190 CB GLU A 120 3.279 -9.107 6.565 1.00 43.50 C ATOM 1191 CG GLU A 120 3.536 -7.613 6.379 1.00 44.59 C ATOM 1192 CD GLU A 120 4.874 -7.268 5.748 1.00 48.18 C ATOM 1193 OE1 GLU A 120 5.755 -8.151 5.706 1.00 47.95 O ATOM 1194 OE2 GLU A 120 5.044 -6.100 5.319 1.00 51.01 O ATOM 1195 H GLU A 120 0.794 -9.367 5.245 1.00 0.00 H ATOM 1196 N LYS A 121 3.748 -12.098 5.137 1.00 46.71 N ATOM 1197 CA LYS A 121 3.807 -13.553 5.379 1.00 50.38 C ATOM 1198 C LYS A 121 4.832 -13.803 6.480 1.00 48.19 C ATOM 1199 O LYS A 121 5.945 -13.380 6.326 1.00 50.47 O ATOM 1200 CB LYS A 121 4.161 -14.252 4.066 1.00 56.43 C ATOM 1201 CG LYS A 121 3.968 -15.758 4.030 1.00 61.10 C ATOM 1202 CD LYS A 121 4.209 -16.345 2.635 1.00 65.59 C ATOM 1203 CE LYS A 121 3.438 -15.616 1.546 1.00 69.01 C ATOM 1204 NZ LYS A 121 3.223 -16.461 0.346 1.00 73.00 N ATOM 1205 HZ1 LYS A 121 4.143 -16.745 -0.046 1.00 0.00 H ATOM 1206 HZ2 LYS A 121 2.682 -17.308 0.612 1.00 0.00 H ATOM 1207 HZ3 LYS A 121 2.694 -15.920 -0.367 1.00 0.00 H ATOM 1208 H LYS A 121 4.552 -11.656 4.647 1.00 0.00 H ATOM 1209 N LEU A 122 4.413 -14.333 7.609 1.00 45.95 N ATOM 1210 CA LEU A 122 5.331 -14.764 8.678 1.00 44.26 C ATOM 1211 C LEU A 122 5.656 -16.230 8.475 1.00 45.21 C ATOM 1212 O LEU A 122 4.708 -17.035 8.361 1.00 43.21 O ATOM 1213 CB LEU A 122 4.667 -14.526 10.027 1.00 44.02 C ATOM 1214 CG LEU A 122 4.154 -13.104 10.252 1.00 43.14 C ATOM 1215 CD1 LEU A 122 3.668 -12.934 11.683 1.00 44.36 C ATOM 1216 CD2 LEU A 122 5.230 -12.084 9.929 1.00 45.14 C ATOM 1217 H LEU A 122 3.390 -14.453 7.753 1.00 0.00 H ATOM 1218 N THR A 123 6.939 -16.566 8.427 1.00 45.01 N ATOM 1219 CA THR A 123 7.429 -17.963 8.406 1.00 47.21 C ATOM 1220 C THR A 123 8.045 -18.295 9.760 1.00 46.78 C ATOM 1221 O THR A 123 9.062 -17.689 10.098 1.00 49.26 O ATOM 1222 CB THR A 123 8.399 -18.177 7.243 1.00 49.68 C ATOM 1223 OG1 THR A 123 7.693 -17.832 6.051 1.00 51.10 O ATOM 1224 CG2 THR A 123 8.908 -19.601 7.150 1.00 50.53 C ATOM 1225 HG1 THR A 123 8.287 -17.957 5.269 1.00 0.00 H ATOM 1226 H THR A 123 7.643 -15.801 8.403 1.00 0.00 H ATOM 1227 N PHE A 124 7.434 -19.217 10.503 1.00 46.62 N ATOM 1228 CA PHE A 124 7.966 -19.755 11.779 1.00 47.40 C ATOM 1229 C PHE A 124 8.633 -21.109 11.527 1.00 50.28 C ATOM 1230 O PHE A 124 7.945 -22.061 11.158 1.00 49.56 O ATOM 1231 CB PHE A 124 6.860 -19.875 12.820 1.00 47.81 C ATOM 1232 CG PHE A 124 6.279 -18.558 13.244 1.00 46.91 C ATOM 1233 CD1 PHE A 124 6.888 -17.803 14.235 1.00 46.66 C ATOM 1234 CD2 PHE A 124 5.147 -18.046 12.618 1.00 46.58 C ATOM 1235 CE1 PHE A 124 6.355 -16.583 14.617 1.00 45.99 C ATOM 1236 CE2 PHE A 124 4.627 -16.822 12.997 1.00 43.40 C ATOM 1237 CZ PHE A 124 5.217 -16.106 14.009 1.00 44.54 C ATOM 1238 H PHE A 124 6.522 -19.585 10.165 1.00 0.00 H ATOM 1239 N ASN A 125 9.945 -21.181 11.746 1.00 50.69 N ATOM 1240 CA ASN A 125 10.741 -22.425 11.620 1.00 51.72 C ATOM 1241 C ASN A 125 10.681 -23.167 12.923 1.00 52.11 C ATOM 1242 O ASN A 125 11.029 -22.574 13.949 1.00 51.53 O ATOM 1243 CB ASN A 125 12.177 -22.143 11.229 1.00 52.58 C ATOM 1244 CG ASN A 125 12.237 -21.605 9.831 1.00 53.99 C ATOM 1245 OD1 ASN A 125 11.552 -22.124 8.952 1.00 54.51 O ATOM 1246 ND2 ASN A 125 12.916 -20.488 9.650 1.00 52.77 N ATOM 1247 HD22 ASN A 125 13.481 -20.091 10.428 1.00 0.00 H ATOM 1248 HD21 ASN A 125 12.887 -20.005 8.729 1.00 0.00 H ATOM 1249 H ASN A 125 10.442 -20.310 12.023 1.00 0.00 H ATOM 1250 N ASN A 126 10.188 -24.402 12.881 1.00 54.09 N ATOM 1251 CA ASN A 126 10.256 -25.338 14.012 1.00 53.56 C ATOM 1252 C ASN A 126 9.677 -24.653 15.239 1.00 52.42 C ATOM 1253 O ASN A 126 10.311 -24.626 16.292 1.00 52.31 O ATOM 1254 CB ASN A 126 11.701 -25.784 14.275 1.00 56.62 C ATOM 1255 CG ASN A 126 12.388 -26.356 13.053 1.00 58.30 C ATOM 1256 OD1 ASN A 126 11.852 -27.235 12.379 1.00 62.33 O ATOM 1257 ND2 ASN A 126 13.595 -25.896 12.784 1.00 60.86 N ATOM 1258 HD22 ASN A 126 14.012 -25.152 13.379 1.00 0.00 H ATOM 1259 HD21 ASN A 126 14.129 -26.277 11.977 1.00 0.00 H ATOM 1260 H ASN A 126 9.731 -24.721 12.003 1.00 0.00 H ATOM 1261 N PRO A 127 8.447 -24.093 15.168 1.00 52.36 N ATOM 1262 CA PRO A 127 7.781 -23.607 16.374 1.00 52.64 C ATOM 1263 C PRO A 127 7.723 -24.766 17.417 1.00 54.25 C ATOM 1264 O PRO A 127 7.758 -25.973 17.038 1.00 58.56 O ATOM 1265 CB PRO A 127 6.386 -23.136 15.878 1.00 52.32 C ATOM 1266 CG PRO A 127 6.205 -23.850 14.534 1.00 52.82 C ATOM 1267 CD PRO A 127 7.607 -23.998 13.967 1.00 51.70 C ATOM 1268 N THR A 128 7.618 -24.370 18.709 1.00 53.59 N ATOM 1269 CA THR A 128 7.216 -25.287 19.807 1.00 57.74 C ATOM 1270 C THR A 128 5.869 -25.923 19.450 1.00 60.51 C ATOM 1271 O THR A 128 5.162 -25.378 18.563 1.00 57.49 O ATOM 1272 CB THR A 128 7.094 -24.575 21.154 1.00 57.87 C ATOM 1273 OG1 THR A 128 5.973 -23.694 21.073 1.00 59.01 O ATOM 1274 CG2 THR A 128 8.341 -23.821 21.531 1.00 56.67 C ATOM 1275 HG1 THR A 128 5.867 -23.216 21.934 1.00 0.00 H ATOM 1276 H THR A 128 7.828 -23.379 18.943 1.00 0.00 H ATOM 1277 N THR A 129 5.545 -27.040 20.094 1.00 63.29 N ATOM 1278 CA THR A 129 4.237 -27.723 20.001 1.00 66.11 C ATOM 1279 C THR A 129 3.132 -26.707 20.352 1.00 63.55 C ATOM 1280 O THR A 129 2.190 -26.546 19.531 1.00 63.35 O ATOM 1281 CB THR A 129 4.253 -28.991 20.874 1.00 72.36 C ATOM 1282 OG1 THR A 129 4.696 -28.631 22.183 1.00 75.96 O ATOM 1283 CG2 THR A 129 5.173 -30.066 20.332 1.00 72.30 C ATOM 1284 HG1 THR A 129 4.712 -29.437 22.758 1.00 0.00 H ATOM 1285 H THR A 129 6.267 -27.466 20.710 1.00 0.00 H ATOM 1286 N GLU A 130 3.268 -26.029 21.501 1.00 63.54 N ATOM 1287 CA GLU A 130 2.286 -25.049 22.039 1.00 66.79 C ATOM 1288 C GLU A 130 1.973 -23.997 20.975 1.00 64.17 C ATOM 1289 O GLU A 130 0.814 -23.911 20.537 1.00 62.05 O ATOM 1290 CB GLU A 130 2.838 -24.365 23.292 1.00 72.90 C ATOM 1291 CG GLU A 130 2.637 -25.170 24.563 1.00 79.98 C ATOM 1292 CD GLU A 130 1.188 -25.288 25.017 1.00 87.72 C ATOM 1293 OE1 GLU A 130 0.449 -24.275 24.898 1.00 94.75 O ATOM 1294 OE2 GLU A 130 0.790 -26.402 25.488 1.00 89.80 O ATOM 1295 H GLU A 130 4.128 -26.202 22.060 1.00 0.00 H ATOM 1296 N PHE A 131 2.968 -23.210 20.591 1.00 61.71 N ATOM 1297 CA PHE A 131 2.797 -22.060 19.673 1.00 58.46 C ATOM 1298 C PHE A 131 2.385 -22.563 18.283 1.00 57.06 C ATOM 1299 O PHE A 131 1.504 -21.959 17.672 1.00 52.42 O ATOM 1300 CB PHE A 131 4.062 -21.216 19.616 1.00 57.76 C ATOM 1301 CG PHE A 131 3.908 -19.971 18.797 1.00 54.21 C ATOM 1302 CD1 PHE A 131 2.916 -19.057 19.092 1.00 53.95 C ATOM 1303 CD2 PHE A 131 4.720 -19.736 17.704 1.00 53.73 C ATOM 1304 CE1 PHE A 131 2.766 -17.906 18.334 1.00 54.76 C ATOM 1305 CE2 PHE A 131 4.568 -18.590 16.944 1.00 53.20 C ATOM 1306 CZ PHE A 131 3.583 -17.678 17.256 1.00 53.03 C ATOM 1307 H PHE A 131 3.922 -23.411 20.954 1.00 0.00 H ATOM 1308 N ARG A 132 2.902 -23.709 17.856 1.00 56.95 N ATOM 1309 CA ARG A 132 2.484 -24.344 16.578 1.00 60.29 C ATOM 1310 C ARG A 132 0.947 -24.554 16.569 1.00 59.39 C ATOM 1311 O ARG A 132 0.340 -24.401 15.497 1.00 53.10 O ATOM 1312 CB ARG A 132 3.201 -25.669 16.378 1.00 65.33 C ATOM 1313 CG ARG A 132 2.837 -26.378 15.084 1.00 70.14 C ATOM 1314 CD ARG A 132 3.525 -27.725 14.999 1.00 78.53 C ATOM 1315 NE ARG A 132 3.251 -28.528 16.185 1.00 84.54 N ATOM 1316 CZ ARG A 132 3.884 -29.652 16.500 1.00 91.78 C ATOM 1317 NH1 ARG A 132 3.542 -30.321 17.594 1.00 94.32 N ATOM 1318 NH2 ARG A 132 4.848 -30.109 15.720 1.00 91.93 N ATOM 1319 HE ARG A 132 2.506 -28.196 16.831 1.00 0.00 H ATOM 1320 HH12 ARG A 132 4.037 -31.201 17.841 1.00 0.00 H ATOM 1321 HH11 ARG A 132 2.779 -29.965 18.204 1.00 0.00 H ATOM 1322 HH22 ARG A 132 5.343 -30.989 15.967 1.00 0.00 H ATOM 1323 HH21 ARG A 132 5.111 -29.588 14.859 1.00 0.00 H ATOM 1324 H ARG A 132 3.625 -24.180 18.436 1.00 0.00 H ATOM 1325 N TYR A 133 0.356 -24.969 17.692 1.00 61.67 N ATOM 1326 CA TYR A 133 -1.113 -25.196 17.806 1.00 66.40 C ATOM 1327 C TYR A 133 -1.834 -23.901 17.434 1.00 59.53 C ATOM 1328 O TYR A 133 -2.715 -23.903 16.574 1.00 59.65 O ATOM 1329 CB TYR A 133 -1.535 -25.561 19.228 1.00 72.17 C ATOM 1330 CG TYR A 133 -1.093 -26.902 19.737 1.00 83.14 C ATOM 1331 CD1 TYR A 133 -1.199 -28.044 18.956 1.00 88.38 C ATOM 1332 CD2 TYR A 133 -0.681 -27.049 21.057 1.00 87.23 C ATOM 1333 CE1 TYR A 133 -0.830 -29.285 19.451 1.00 92.12 C ATOM 1334 CE2 TYR A 133 -0.319 -28.281 21.568 1.00 89.92 C ATOM 1335 CZ TYR A 133 -0.398 -29.404 20.765 1.00 92.50 C ATOM 1336 OH TYR A 133 -0.043 -30.618 21.269 1.00 97.25 O ATOM 1337 HH TYR A 133 -0.157 -31.310 20.570 1.00 0.00 H ATOM 1338 H TYR A 133 0.950 -25.142 18.528 1.00 0.00 H ATOM 1339 N LYS A 134 -1.427 -22.823 18.089 1.00 57.46 N ATOM 1340 CA LYS A 134 -2.006 -21.463 17.962 1.00 54.63 C ATOM 1341 C LYS A 134 -1.945 -21.002 16.504 1.00 51.17 C ATOM 1342 O LYS A 134 -2.998 -20.595 15.966 1.00 52.09 O ATOM 1343 CB LYS A 134 -1.266 -20.525 18.905 1.00 52.56 C ATOM 1344 CG LYS A 134 -1.412 -20.868 20.383 1.00 54.66 C ATOM 1345 CD LYS A 134 -0.521 -20.046 21.271 1.00 56.26 C ATOM 1346 CE LYS A 134 -1.220 -19.532 22.504 1.00 59.29 C ATOM 1347 NZ LYS A 134 -1.883 -20.622 23.245 1.00 61.82 N ATOM 1348 HZ1 LYS A 134 -2.589 -21.077 22.632 1.00 0.00 H ATOM 1349 HZ2 LYS A 134 -1.173 -21.323 23.537 1.00 0.00 H ATOM 1350 HZ3 LYS A 134 -2.353 -20.232 24.086 1.00 0.00 H ATOM 1351 H LYS A 134 -0.632 -22.941 18.750 1.00 0.00 H ATOM 1352 N LEU A 135 -0.782 -21.118 15.873 1.00 49.41 N ATOM 1353 CA LEU A 135 -0.568 -20.724 14.455 1.00 47.74 C ATOM 1354 C LEU A 135 -1.555 -21.478 13.585 1.00 47.82 C ATOM 1355 O LEU A 135 -2.141 -20.855 12.678 1.00 44.55 O ATOM 1356 CB LEU A 135 0.867 -21.047 14.032 1.00 48.05 C ATOM 1357 CG LEU A 135 1.952 -20.193 14.674 1.00 47.69 C ATOM 1358 CD1 LEU A 135 3.341 -20.792 14.409 1.00 50.11 C ATOM 1359 CD2 LEU A 135 1.884 -18.753 14.170 1.00 47.05 C ATOM 1360 H LEU A 135 0.025 -21.507 16.401 1.00 0.00 H ATOM 1361 N LEU A 136 -1.678 -22.791 13.815 1.00 50.26 N ATOM 1362 CA LEU A 136 -2.615 -23.651 13.057 1.00 52.89 C ATOM 1363 C LEU A 136 -4.064 -23.170 13.318 1.00 52.54 C ATOM 1364 O LEU A 136 -4.732 -22.784 12.298 1.00 54.44 O ATOM 1365 CB LEU A 136 -2.361 -25.124 13.405 1.00 54.91 C ATOM 1366 CG LEU A 136 -0.982 -25.636 12.954 1.00 55.38 C ATOM 1367 CD1 LEU A 136 -0.711 -27.037 13.471 1.00 57.79 C ATOM 1368 CD2 LEU A 136 -0.853 -25.580 11.433 1.00 55.64 C ATOM 1369 H LEU A 136 -1.091 -23.225 14.556 1.00 0.00 H ATOM 1370 N ARG A 137 -4.436 -23.021 14.622 1.00 53.45 N ATOM 1371 CA ARG A 137 -5.810 -22.604 15.062 1.00 56.16 C ATOM 1372 C ARG A 137 -6.194 -21.326 14.324 1.00 53.43 C ATOM 1373 O ARG A 137 -7.367 -21.110 14.114 1.00 50.21 O ATOM 1374 CB ARG A 137 -5.877 -22.320 16.568 1.00 59.70 C ATOM 1375 CG ARG A 137 -6.233 -23.513 17.432 1.00 65.47 C ATOM 1376 CD ARG A 137 -5.782 -23.321 18.864 1.00 69.07 C ATOM 1377 NE ARG A 137 -5.361 -24.591 19.446 1.00 76.47 N ATOM 1378 CZ ARG A 137 -4.431 -24.732 20.396 1.00 79.92 C ATOM 1379 NH1 ARG A 137 -4.120 -25.939 20.833 1.00 84.33 N ATOM 1380 NH2 ARG A 137 -3.805 -23.672 20.893 1.00 77.46 N ATOM 1381 HE ARG A 137 -5.821 -25.455 19.094 1.00 0.00 H ATOM 1382 HH12 ARG A 137 -3.397 -26.054 21.572 1.00 0.00 H ATOM 1383 HH11 ARG A 137 -4.598 -26.774 20.438 1.00 0.00 H ATOM 1384 HH22 ARG A 137 -3.083 -23.793 21.632 1.00 0.00 H ATOM 1385 HH21 ARG A 137 -4.036 -22.720 20.544 1.00 0.00 H ATOM 1386 H ARG A 137 -3.724 -23.208 15.357 1.00 0.00 H ATOM 1387 N ALA A 138 -5.206 -20.472 14.046 1.00 51.42 N ATOM 1388 CA ALA A 138 -5.378 -19.146 13.428 1.00 48.79 C ATOM 1389 C ALA A 138 -5.525 -19.291 11.922 1.00 49.26 C ATOM 1390 O ALA A 138 -5.819 -18.305 11.280 1.00 51.26 O ATOM 1391 CB ALA A 138 -4.211 -18.272 13.775 1.00 47.55 C ATOM 1392 H ALA A 138 -4.238 -20.767 14.285 1.00 0.00 H ATOM 1393 N GLY A 139 -5.273 -20.476 11.391 1.00 52.08 N ATOM 1394 CA GLY A 139 -5.362 -20.763 9.942 1.00 54.36 C ATOM 1395 C GLY A 139 -4.002 -20.536 9.212 1.00 52.32 C ATOM 1396 O GLY A 139 -3.968 -20.376 8.015 1.00 55.92 O ATOM 1397 H GLY A 139 -4.997 -21.250 12.028 1.00 0.00 H ATOM 1398 N GLY A 140 -2.920 -20.942 9.945 1.00 54.18 N ATOM 1399 CA GLY A 140 -1.552 -21.085 9.387 1.00 53.21 C ATOM 1400 C GLY A 140 -1.372 -22.425 8.680 1.00 56.85 C ATOM 1401 O GLY A 140 -2.174 -23.350 8.978 1.00 59.05 O ATOM 1402 H GLY A 140 -3.065 -21.163 10.951 1.00 0.00 H ATOM 1403 N VAL A 141 -0.327 -22.546 7.823 1.00 57.22 N ATOM 1404 CA VAL A 141 -0.124 -23.674 6.856 1.00 59.40 C ATOM 1405 C VAL A 141 1.310 -24.230 6.983 1.00 60.23 C ATOM 1406 O VAL A 141 2.276 -23.451 6.850 1.00 57.28 O ATOM 1407 CB VAL A 141 -0.419 -23.217 5.415 1.00 60.50 C ATOM 1408 CG1 VAL A 141 0.003 -24.262 4.391 1.00 64.70 C ATOM 1409 CG2 VAL A 141 -1.887 -22.852 5.230 1.00 62.70 C ATOM 1410 H VAL A 141 0.392 -21.795 7.838 1.00 0.00 H ATOM 1411 N MET A 142 1.437 -25.541 7.148 1.00 63.29 N ATOM 1412 CA MET A 142 2.728 -26.267 7.072 1.00 68.49 C ATOM 1413 C MET A 142 3.310 -26.106 5.670 1.00 69.45 C ATOM 1414 O MET A 142 2.521 -26.085 4.719 1.00 72.49 O ATOM 1415 CB MET A 142 2.526 -27.747 7.369 1.00 76.36 C ATOM 1416 CG MET A 142 2.013 -28.004 8.759 1.00 80.97 C ATOM 1417 SD MET A 142 3.321 -28.531 9.860 1.00 92.45 S ATOM 1418 CE MET A 142 3.528 -30.218 9.308 1.00 90.87 C ATOM 1419 H MET A 142 0.578 -26.093 7.343 1.00 0.00 H ATOM 1420 N VAL A 143 4.638 -25.987 5.564 1.00 71.54 N ATOM 1421 CA VAL A 143 5.384 -25.682 4.302 1.00 75.18 C ATOM 1422 C VAL A 143 6.480 -26.735 4.084 1.00 77.52 C ATOM 1423 O VAL A 143 7.652 -26.353 4.103 1.00 77.72 O ATOM 1424 CB VAL A 143 6.002 -24.270 4.352 1.00 75.62 C ATOM 1425 CG1 VAL A 143 6.524 -23.837 2.991 1.00 78.96 C ATOM 1426 CG2 VAL A 143 5.032 -23.245 4.902 1.00 76.31 C ATOM 1427 H VAL A 143 5.199 -26.117 6.430 1.00 0.00 H ATOM 1428 N MET A 144 6.109 -28.007 3.890 1.00 82.70 N ATOM 1429 CA MET A 144 7.033 -29.105 3.446 1.00 87.48 C ATOM 1430 C MET A 144 6.221 -30.199 2.744 1.00 91.96 C ATOM 1431 O MET A 144 4.993 -30.270 2.883 1.00 95.35 O ATOM 1432 CB MET A 144 7.801 -29.727 4.624 1.00 85.77 C ATOM 1433 H MET A 144 5.112 -28.252 4.058 1.00 0.00 H TER 1434 MET A 144 HETATM 1435 O HOH 1 5.308 -21.915 22.487 1.00 61.37 O HETATM 1436 O HOH 2 6.579 -27.684 15.881 1.00 65.34 O HETATM 1437 O HOH 3 -4.949 -10.762 20.736 1.00 41.48 O HETATM 1438 O HOH 4 6.518 -5.677 3.443 1.00 49.07 O HETATM 1439 O HOH 5 4.474 9.011 5.292 1.00 59.24 O HETATM 1440 O HOH 6 -13.444 -13.870 8.026 1.00 63.22 O HETATM 1441 O HOH 7 -9.181 18.569 16.945 1.00 63.96 O HETATM 1442 O HOH 8 -2.542 12.228 -2.064 1.00 62.41 O HETATM 1443 O HOH 9 6.234 -9.816 23.140 1.00 59.45 O HETATM 1444 O HOH 10 -9.557 26.553 16.560 1.00 56.40 O HETATM 1445 O HOH 11 -3.363 -11.853 3.305 1.00 55.23 O HETATM 1446 O HOH 12 -6.946 -0.494 3.753 1.00 45.12 O HETATM 1447 O HOH 13 -8.634 -9.728 4.594 1.00 52.64 O HETATM 1448 O HOH 14 2.605 -20.612 23.238 1.00 50.06 O HETATM 1449 O HOH 15 9.811 -20.313 17.507 1.00 54.96 O HETATM 1450 O HOH 16 -6.426 -13.403 22.968 1.00 66.76 O HETATM 1451 O HOH 17 -8.003 -6.372 13.495 1.00 40.63 O HETATM 1452 O HOH 18 -13.630 -5.935 19.947 1.00 48.28 O HETATM 1453 O HOH 19 -8.027 -12.519 12.420 1.00 46.13 O HETATM 1454 O HOH 20 -14.743 19.606 11.208 1.00 63.32 O HETATM 1455 O HOH 21 7.686 -21.439 19.084 1.00 57.55 O HETATM 1456 O HOH 22 -12.230 -9.210 19.911 1.00 46.27 O HETATM 1457 O HOH 23 9.420 -20.726 15.074 1.00 46.54 O HETATM 1458 O HOH 24 4.543 3.316 1.286 1.00 66.88 O HETATM 1459 O HOH 25 -7.199 -3.806 23.604 1.00 54.33 O HETATM 1460 O HOH 26 10.833 -7.594 13.775 1.00 44.69 O HETATM 1461 O HOH 27 -6.002 4.099 -1.855 1.00 43.27 O HETATM 1462 O HOH 28 1.257 12.007 4.320 1.00 45.86 O HETATM 1463 O HOH 29 -10.386 8.260 12.043 1.00 57.33 O HETATM 1464 O HOH 30 -13.284 20.359 16.054 1.00 61.09 O HETATM 1465 O HOH 31 -1.696 12.479 11.869 1.00 42.42 O HETATM 1466 O HOH 32 3.886 0.551 5.099 1.00 37.50 O HETATM 1467 O HOH 33 6.332 -10.297 3.826 1.00 55.01 O HETATM 1468 O HOH 34 7.836 9.972 10.555 1.00 50.65 O HETATM 1469 O HOH 35 12.471 -15.690 24.533 1.00 60.16 O HETATM 1470 O HOH 36 -0.924 -11.481 3.916 1.00 52.12 O HETATM 1471 O HOH 37 8.110 -6.281 6.351 1.00 56.77 O HETATM 1472 O HOH 38 -3.649 2.024 24.505 1.00 53.29 O HETATM 1473 O HOH 39 -6.034 3.959 20.248 1.00 58.99 O HETATM 1474 O HOH 40 -9.312 25.807 18.884 1.00 53.53 O HETATM 1475 O HOH 41 8.152 10.368 16.338 1.00 55.52 O HETATM 1476 C7 M A 7 3.211 15.878 13.132 1.00 -0.06 C HETATM 1477 C6 M A 7 4.478 16.275 12.734 1.00 -0.06 C HETATM 1478 C5 M A 7 5.224 15.502 11.852 1.00 -0.01 C HETATM 1479 C4 M A 7 6.643 15.886 11.490 1.00 -0.00 C HETATM 1480 N M A 7 6.917 15.974 10.039 1.00 0.25 N HETATM 1481 C2 M A 7 5.995 16.915 9.365 1.00 -0.03 C HETATM 1482 C3 M A 7 6.430 17.316 7.966 1.00 -0.02 C HETATM 1483 H5 M A 7 5.694 18.013 7.539 1.00 0.03 H HETATM 1484 H6 M A 7 6.497 16.420 7.332 1.00 0.03 H HETATM 1485 H7 M A 7 7.414 17.806 8.014 1.00 0.03 H HETATM 1486 H8 M A 7 5.006 16.439 9.296 1.00 0.08 H HETATM 1487 H9 M A 7 5.922 17.825 9.978 1.00 0.08 H HETATM 1488 C1 M A 7 7.130 14.613 9.425 1.00 -0.03 C HETATM 1489 C M A 7 6.120 14.206 8.355 1.00 -0.02 C HETATM 1490 H29 M A 7 6.369 13.203 7.978 1.00 0.03 H HETATM 1491 H30 M A 7 6.154 14.928 7.526 1.00 0.03 H HETATM 1492 H31 M A 7 5.110 14.194 8.790 1.00 0.03 H HETATM 1493 H10 M A 7 7.087 13.867 10.232 1.00 0.08 H HETATM 1494 H11 M A 7 8.130 14.601 8.968 1.00 0.08 H HETATM 1495 H28 M A 7 7.818 16.419 9.964 1.00 0.20 H HETATM 1496 H3 M A 7 7.320 15.133 11.920 1.00 0.10 H HETATM 1497 H4 M A 7 6.855 16.868 11.937 1.00 0.10 H HETATM 1498 C20 M A 7 4.667 14.319 11.390 1.00 -0.06 C HETATM 1499 C19 M A 7 3.402 13.926 11.784 1.00 -0.06 C HETATM 1500 C8 M A 7 2.649 14.702 12.651 1.00 -0.03 C HETATM 1501 C9 M A 7 1.224 14.313 12.960 1.00 0.06 C HETATM 1502 N1 M A 7 0.643 14.965 14.124 1.00 -0.26 N HETATM 1503 C10 M A 7 -0.689 15.170 14.191 1.00 0.26 C HETATM 1504 N2 M A 7 -1.209 15.337 15.443 1.00 -0.26 N HETATM 1505 C11 M A 7 -2.617 14.989 15.685 1.00 0.05 C HETATM 1506 C12 M A 7 -2.860 14.753 17.181 1.00 0.05 C HETATM 1507 N3 M A 7 -2.444 15.921 17.964 1.00 -0.27 N HETATM 1508 C14 M A 7 -1.023 16.184 17.726 1.00 0.05 C HETATM 1509 C13 M A 7 -0.781 16.476 16.263 1.00 0.05 C HETATM 1510 H19 M A 7 0.292 16.658 16.101 1.00 0.05 H HETATM 1511 H20 M A 7 -1.353 17.369 15.971 1.00 0.05 H HETATM 1512 H21 M A 7 -0.709 17.051 18.326 1.00 0.05 H HETATM 1513 H22 M A 7 -0.436 15.302 18.022 1.00 0.05 H HETATM 1514 C15 M A 7 -3.040 16.237 19.164 1.00 0.20 C HETATM 1515 N4 M A 7 -3.965 15.370 19.636 1.00 -0.25 N HETATM 1516 C16 M A 7 -4.571 15.744 20.772 1.00 0.01 C HETATM 1517 C17 M A 7 -4.296 16.918 21.430 1.00 -0.02 C HETATM 1518 C18 M A 7 -3.343 17.724 20.860 1.00 0.01 C HETATM 1519 N5 M A 7 -2.691 17.416 19.729 1.00 -0.25 N HETATM 1520 H25 M A 7 -3.104 18.661 21.350 1.00 0.09 H HETATM 1521 H24 M A 7 -4.803 17.192 22.348 1.00 0.07 H HETATM 1522 H23 M A 7 -5.319 15.083 21.195 1.00 0.09 H HETATM 1523 H17 M A 7 -2.282 13.876 17.507 1.00 0.05 H HETATM 1524 H18 M A 7 -3.932 14.569 17.348 1.00 0.05 H HETATM 1525 H14 M A 7 -3.259 15.813 15.339 1.00 0.05 H HETATM 1526 H15 M A 7 -2.865 14.073 15.129 1.00 0.05 H HETATM 1527 O M A 7 -1.401 15.183 13.194 1.00 -0.40 O HETATM 1528 H16 M A 7 1.232 15.262 14.876 1.00 0.19 H HETATM 1529 H12 M A 7 1.197 13.226 13.130 1.00 0.07 H HETATM 1530 H13 M A 7 0.606 14.563 12.085 1.00 0.07 H HETATM 1531 H26 M A 7 2.992 12.995 11.409 1.00 0.05 H HETATM 1532 H27 M A 7 5.232 13.693 10.709 1.00 0.05 H HETATM 1533 H2 M A 7 4.893 17.201 13.116 1.00 0.05 H HETATM 1534 H1 M A 7 2.651 16.493 13.828 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1476 1477 1500 1534 CONECT 1477 1476 1478 1533 CONECT 1478 1477 1479 1498 CONECT 1479 1478 1480 1496 1497 CONECT 1480 1479 1481 1488 1495 CONECT 1481 1480 1482 1486 1487 CONECT 1482 1481 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 CONECT 1486 1481 CONECT 1487 1481 CONECT 1488 1480 1489 1493 1494 CONECT 1489 1488 1490 1491 1492 CONECT 1490 1489 CONECT 1491 1489 CONECT 1492 1489 CONECT 1493 1488 CONECT 1494 1488 CONECT 1495 1480 CONECT 1496 1479 CONECT 1497 1479 CONECT 1498 1478 1499 1532 CONECT 1499 1498 1500 1531 CONECT 1500 1476 1499 1501 CONECT 1501 1500 1502 1529 1530 CONECT 1502 1501 1503 1528 CONECT 1503 1502 1504 1527 CONECT 1504 1503 1505 1509 CONECT 1505 1504 1506 1525 1526 CONECT 1506 1505 1507 1523 1524 CONECT 1507 1506 1508 1514 CONECT 1508 1507 1509 1512 1513 CONECT 1509 1504 1508 1510 1511 CONECT 1510 1509 CONECT 1511 1509 CONECT 1512 1508 CONECT 1513 1508 CONECT 1514 1507 1515 1519 CONECT 1515 1514 1516 CONECT 1516 1515 1517 1522 CONECT 1517 1516 1518 1521 CONECT 1518 1517 1519 1520 CONECT 1519 1514 1518 CONECT 1520 1518 CONECT 1521 1517 CONECT 1522 1516 CONECT 1523 1506 CONECT 1524 1506 CONECT 1525 1505 CONECT 1526 1505 CONECT 1527 1503 CONECT 1528 1502 CONECT 1529 1501 CONECT 1530 1501 CONECT 1531 1499 CONECT 1532 1498 CONECT 1533 1477 CONECT 1534 1476 MASTER 0 0 0 0 0 0 0 0 1533 1 63 11 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6t1l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6hpw
RCSB PDB
PDBbind
155aa, >6HPW_1|Chain... *
6ht1
RCSB PDB
PDBbind
155aa, >6HT1_1|Chain... at 100%
6t1i
RCSB PDB
PDBbind
154aa, >6T1I_1|Chain... at 100%
6t1j
RCSB PDB
PDBbind
154aa, >6T1J_1|Chain... at 100%
6t1m
RCSB PDB
PDBbind
154aa, >6T1M_1|Chain... at 100%
6t1n
RCSB PDB
PDBbind
154aa, >6T1N_1|Chain... at 100%
6t1o
RCSB PDB
PDBbind
154aa, >6T1O_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6t1l
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MLLT1 (ENL) YEATS domain
Ligand Name
M7N
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=17.1uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Med.Chem.Lett. Vol. 10: pp. 1661-1666
Ligand Properties
Formula
C
2
1
H
3
1
N
6
O
Molecular Weight
383.510
Exact Mass
383.256
No. of atoms
59
No. of bonds
61
Polar Surface Area
65.8
LOGP Value
1.82 (
Computed with XLOGP3
)
1.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CC[NH+](Cc1ccc(cc1)CNC(=O)N1CCN(CC1)c1ncccn1)CC
InChI String
InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)/p+1
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):
Q03111
Entrez Gene ID
NCBI Entrez Gene ID:
4298
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓