Browse entries in the PDBbind-CN Database
HEADER 1X8S_COMPLEX COMPND 1X8S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 98 GLU THR HIS ARG ARG VAL ARG LEU LEU LYS HIS GLY SER SEQRES 2 A 98 ASP LYS PRO LEU GLY PHE TYR ILE ARG ASP GLY THR SER SEQRES 3 A 98 VAL ARG VAL THR ALA SER GLY LEU GLU LYS GLN PRO GLY SEQRES 4 A 98 ILE PHE ILE SER ARG LEU VAL PRO GLY GLY LEU ALA GLU SEQRES 5 A 98 SER THR GLY LEU LEU ALA VAL ASN ASP GLU VAL ILE GLU SEQRES 6 A 98 VAL ASN GLY ILE GLU VAL ALA GLY LYS THR LEU ASP GLN SEQRES 7 A 98 VAL THR ASP MET MET VAL ALA ASN SER SER ASN LEU ILE SEQRES 8 A 98 ILE THR VAL LYS PRO ALA ASN HET HIS A 104 139 ATOM 1 N GLU A 156 14.266 23.415 4.868 1.00 45.03 N ATOM 2 CA GLU A 156 14.517 22.543 6.055 1.00 44.95 C ATOM 3 C GLU A 156 15.018 21.164 5.575 1.00 44.90 C ATOM 4 O GLU A 156 16.200 20.842 5.735 1.00 44.90 O ATOM 5 CB GLU A 156 13.245 22.464 6.918 1.00 45.01 C ATOM 6 CG GLU A 156 13.469 22.007 8.360 1.00 45.13 C ATOM 7 CD GLU A 156 13.230 20.521 8.566 1.00 45.38 C ATOM 8 OE1 GLU A 156 13.995 19.901 9.344 1.00 45.22 O ATOM 9 OE2 GLU A 156 12.277 19.980 7.956 1.00 45.16 O ATOM 10 HA GLU A 156 15.297 22.963 6.689 1.00 0.00 H ATOM 11 HB2 GLU A 156 12.792 23.455 6.944 1.00 0.00 H ATOM 12 HB3 GLU A 156 12.558 21.763 6.444 1.00 0.00 H ATOM 13 HG2 GLU A 156 14.498 22.234 8.639 1.00 0.00 H ATOM 14 HG3 GLU A 156 12.788 22.560 9.008 1.00 0.00 H ATOM 15 HN3 GLU A 156 13.546 22.973 4.261 1.00 0.00 H ATOM 16 HN2 GLU A 156 15.149 23.531 4.332 1.00 0.00 H ATOM 17 HN1 GLU A 156 13.928 24.345 5.188 1.00 0.00 H ATOM 18 N THR A 157 14.121 20.365 4.993 1.00 44.78 N ATOM 19 CA THR A 157 14.496 19.220 4.142 1.00 44.55 C ATOM 20 C THR A 157 13.503 19.161 2.973 1.00 44.38 C ATOM 21 O THR A 157 13.032 18.086 2.582 1.00 44.40 O ATOM 22 CB THR A 157 14.482 17.867 4.900 1.00 44.58 C ATOM 23 OG1 THR A 157 13.167 17.609 5.415 1.00 44.67 O ATOM 24 CG2 THR A 157 15.501 17.861 6.041 1.00 44.69 C ATOM 25 HA THR A 157 15.520 19.371 3.800 1.00 0.00 H ATOM 26 HB THR A 157 14.757 17.081 4.197 1.00 0.00 H ATOM 27 HG1 THR A 157 12.522 17.570 4.665 1.00 0.00 H ATOM 28 HG23 THR A 157 16.495 18.058 5.640 1.00 0.00 H ATOM 29 HG21 THR A 157 15.240 18.634 6.764 1.00 0.00 H ATOM 30 HG22 THR A 157 15.491 16.887 6.530 1.00 0.00 H ATOM 31 H THR A 157 13.111 20.559 5.147 1.00 0.00 H ATOM 32 N HIS A 158 13.202 20.338 2.425 1.00 43.98 N ATOM 33 CA HIS A 158 12.133 20.509 1.453 1.00 43.66 C ATOM 34 C HIS A 158 12.681 20.755 0.050 1.00 43.42 C ATOM 35 O HIS A 158 13.851 21.106 -0.119 1.00 43.41 O ATOM 36 CB HIS A 158 11.237 21.675 1.873 1.00 43.63 C ATOM 37 CG HIS A 158 10.697 21.551 3.264 1.00 43.58 C ATOM 38 ND1 HIS A 158 10.403 22.645 4.049 1.00 43.56 N ATOM 39 CD2 HIS A 158 10.411 20.462 4.016 1.00 43.64 C ATOM 40 CE1 HIS A 158 9.949 22.235 5.219 1.00 43.61 C ATOM 41 NE2 HIS A 158 9.944 20.914 5.225 1.00 43.61 N ATOM 42 HA HIS A 158 11.552 19.587 1.426 1.00 0.00 H ATOM 43 HB2 HIS A 158 11.818 22.595 1.810 1.00 0.00 H ATOM 44 HB3 HIS A 158 10.396 21.729 1.181 1.00 0.00 H ATOM 45 HD2 HIS A 158 10.530 19.421 3.717 1.00 0.00 H ATOM 46 HE1 HIS A 158 9.632 22.877 6.041 1.00 0.00 H ATOM 47 H HIS A 158 13.756 21.172 2.705 1.00 0.00 H ATOM 48 N ARG A 159 11.817 20.564 -0.946 1.00 43.10 N ATOM 49 CA ARG A 159 12.173 20.747 -2.350 1.00 42.85 C ATOM 50 C ARG A 159 11.351 21.880 -2.956 1.00 42.35 C ATOM 51 O ARG A 159 10.121 21.851 -2.932 1.00 42.14 O ATOM 52 CB ARG A 159 11.931 19.453 -3.136 1.00 42.89 C ATOM 53 CG ARG A 159 12.674 19.383 -4.467 1.00 43.22 C ATOM 54 CD ARG A 159 12.124 18.283 -5.376 1.00 43.55 C ATOM 55 NE ARG A 159 12.240 16.943 -4.794 1.00 44.11 N ATOM 56 CZ ARG A 159 13.359 16.214 -4.752 1.00 44.54 C ATOM 57 NH1 ARG A 159 14.507 16.678 -5.249 1.00 44.64 N ATOM 58 NH2 ARG A 159 13.334 15.004 -4.198 1.00 44.68 N ATOM 59 HA ARG A 159 13.231 21.002 -2.408 1.00 0.00 H ATOM 60 HB2 ARG A 159 12.252 18.613 -2.520 1.00 0.00 H ATOM 61 HB3 ARG A 159 10.863 19.368 -3.335 1.00 0.00 H ATOM 62 HG2 ARG A 159 12.575 20.342 -4.976 1.00 0.00 H ATOM 63 HG3 ARG A 159 13.728 19.184 -4.272 1.00 0.00 H ATOM 64 HD2 ARG A 159 12.675 18.302 -6.316 1.00 0.00 H ATOM 65 HD3 ARG A 159 11.071 18.487 -5.570 1.00 0.00 H ATOM 66 HE ARG A 159 11.382 16.526 -4.380 1.00 0.00 H ATOM 67 HH12 ARG A 159 15.366 16.094 -5.206 1.00 0.00 H ATOM 68 HH11 ARG A 159 14.543 17.624 -5.680 1.00 0.00 H ATOM 69 HH22 ARG A 159 14.201 14.431 -4.162 1.00 0.00 H ATOM 70 HH21 ARG A 159 12.447 14.632 -3.802 1.00 0.00 H ATOM 71 H ARG A 159 10.846 20.272 -0.713 1.00 0.00 H ATOM 72 N ARG A 160 12.045 22.876 -3.494 1.00 41.97 N ATOM 73 CA ARG A 160 11.410 23.999 -4.169 1.00 41.74 C ATOM 74 C ARG A 160 11.228 23.627 -5.636 1.00 41.31 C ATOM 75 O ARG A 160 12.198 23.564 -6.390 1.00 41.33 O ATOM 76 CB ARG A 160 12.277 25.254 -4.017 1.00 41.76 C ATOM 77 CG ARG A 160 11.637 26.554 -4.482 1.00 41.98 C ATOM 78 CD ARG A 160 12.318 27.781 -3.845 1.00 42.26 C ATOM 79 NE ARG A 160 11.732 28.143 -2.542 1.00 42.75 N ATOM 80 CZ ARG A 160 12.281 27.930 -1.339 1.00 43.06 C ATOM 81 NH1 ARG A 160 13.466 27.332 -1.199 1.00 43.52 N ATOM 82 NH2 ARG A 160 11.628 28.323 -0.246 1.00 42.72 N ATOM 83 HA ARG A 160 10.437 24.216 -3.728 1.00 0.00 H ATOM 84 HB2 ARG A 160 12.529 25.362 -2.962 1.00 0.00 H ATOM 85 HB3 ARG A 160 13.190 25.104 -4.594 1.00 0.00 H ATOM 86 HG2 ARG A 160 11.724 26.624 -5.566 1.00 0.00 H ATOM 87 HG3 ARG A 160 10.583 26.549 -4.203 1.00 0.00 H ATOM 88 HD2 ARG A 160 12.214 28.629 -4.522 1.00 0.00 H ATOM 89 HD3 ARG A 160 13.376 27.559 -3.703 1.00 0.00 H ATOM 90 HE ARG A 160 10.802 28.609 -2.558 1.00 0.00 H ATOM 91 HH12 ARG A 160 13.864 27.182 -0.250 1.00 0.00 H ATOM 92 HH11 ARG A 160 13.991 27.016 -2.039 1.00 0.00 H ATOM 93 HH22 ARG A 160 12.044 28.163 0.694 1.00 0.00 H ATOM 94 HH21 ARG A 160 10.703 28.789 -0.333 1.00 0.00 H ATOM 95 H ARG A 160 13.083 22.853 -3.431 1.00 0.00 H ATOM 96 N VAL A 161 9.985 23.349 -6.021 1.00 40.87 N ATOM 97 CA VAL A 161 9.651 22.959 -7.387 1.00 40.61 C ATOM 98 C VAL A 161 8.888 24.094 -8.049 1.00 40.24 C ATOM 99 O VAL A 161 7.932 24.613 -7.478 1.00 40.10 O ATOM 100 CB VAL A 161 8.769 21.692 -7.413 1.00 40.58 C ATOM 101 CG1 VAL A 161 8.656 21.146 -8.834 1.00 40.58 C ATOM 102 CG2 VAL A 161 9.327 20.631 -6.470 1.00 40.70 C ATOM 103 HA VAL A 161 10.579 22.746 -7.918 1.00 0.00 H ATOM 104 HB VAL A 161 7.770 21.961 -7.071 1.00 0.00 H ATOM 105 HG11 VAL A 161 8.208 21.903 -9.478 1.00 0.00 H ATOM 106 HG12 VAL A 161 9.649 20.893 -9.205 1.00 0.00 H ATOM 107 HG13 VAL A 161 8.030 20.253 -8.830 1.00 0.00 H ATOM 108 HG21 VAL A 161 10.337 20.365 -6.781 1.00 0.00 H ATOM 109 HG22 VAL A 161 9.350 21.026 -5.454 1.00 0.00 H ATOM 110 HG23 VAL A 161 8.691 19.746 -6.503 1.00 0.00 H ATOM 111 H VAL A 161 9.220 23.412 -5.319 1.00 0.00 H ATOM 112 N ARG A 162 9.302 24.480 -9.252 1.00 39.89 N ATOM 113 CA ARG A 162 8.636 25.570 -9.952 1.00 39.83 C ATOM 114 C ARG A 162 8.011 25.136 -11.269 1.00 39.44 C ATOM 115 O ARG A 162 8.666 24.537 -12.119 1.00 39.17 O ATOM 116 CB ARG A 162 9.571 26.762 -10.151 1.00 39.83 C ATOM 117 CG ARG A 162 10.852 26.496 -10.907 1.00 40.33 C ATOM 118 CD ARG A 162 11.817 27.658 -10.709 1.00 40.61 C ATOM 119 NE ARG A 162 12.221 27.773 -9.306 1.00 41.31 N ATOM 120 CZ ARG A 162 12.867 28.812 -8.778 1.00 41.57 C ATOM 121 NH1 ARG A 162 13.204 29.857 -9.531 1.00 41.69 N ATOM 122 NH2 ARG A 162 13.177 28.805 -7.480 1.00 41.70 N ATOM 123 HA ARG A 162 7.815 25.886 -9.309 1.00 0.00 H ATOM 124 HB2 ARG A 162 9.019 27.529 -10.694 1.00 0.00 H ATOM 125 HB3 ARG A 162 9.841 27.140 -9.165 1.00 0.00 H ATOM 126 HG2 ARG A 162 11.308 25.579 -10.535 1.00 0.00 H ATOM 127 HG3 ARG A 162 10.630 26.386 -11.969 1.00 0.00 H ATOM 128 HD2 ARG A 162 11.329 28.583 -11.017 1.00 0.00 H ATOM 129 HD3 ARG A 162 12.703 27.494 -11.323 1.00 0.00 H ATOM 130 HE ARG A 162 11.985 26.982 -8.673 1.00 0.00 H ATOM 131 HH12 ARG A 162 13.708 30.662 -9.108 1.00 0.00 H ATOM 132 HH11 ARG A 162 12.963 29.868 -10.543 1.00 0.00 H ATOM 133 HH22 ARG A 162 13.681 29.613 -7.061 1.00 0.00 H ATOM 134 HH21 ARG A 162 12.914 27.992 -6.887 1.00 0.00 H ATOM 135 H ARG A 162 10.109 23.999 -9.698 1.00 0.00 H ATOM 136 N LEU A 163 6.723 25.445 -11.403 1.00 39.20 N ATOM 137 CA LEU A 163 5.949 25.150 -12.596 1.00 39.00 C ATOM 138 C LEU A 163 5.763 26.444 -13.382 1.00 38.76 C ATOM 139 O LEU A 163 4.648 26.953 -13.537 1.00 38.68 O ATOM 140 CB LEU A 163 4.607 24.525 -12.209 1.00 38.93 C ATOM 141 CG LEU A 163 4.716 23.249 -11.367 1.00 38.85 C ATOM 142 CD1 LEU A 163 3.358 22.800 -10.878 1.00 38.85 C ATOM 143 CD2 LEU A 163 5.382 22.140 -12.161 1.00 39.17 C ATOM 144 HA LEU A 163 6.472 24.428 -13.223 1.00 0.00 H ATOM 145 HB2 LEU A 163 4.041 25.261 -11.639 1.00 0.00 H ATOM 146 HB3 LEU A 163 4.068 24.283 -13.125 1.00 0.00 H ATOM 147 HG LEU A 163 5.332 23.476 -10.497 1.00 0.00 H ATOM 148 HD21 LEU A 163 4.791 21.927 -13.051 1.00 0.00 H ATOM 149 HD22 LEU A 163 6.383 22.456 -12.455 1.00 0.00 H ATOM 150 HD23 LEU A 163 5.449 21.244 -11.545 1.00 0.00 H ATOM 151 HD11 LEU A 163 2.916 23.585 -10.265 1.00 0.00 H ATOM 152 HD12 LEU A 163 2.713 22.599 -11.734 1.00 0.00 H ATOM 153 HD13 LEU A 163 3.469 21.893 -10.284 1.00 0.00 H ATOM 154 H LEU A 163 6.246 25.923 -10.612 1.00 0.00 H ATOM 155 N LEU A 164 6.892 26.982 -13.834 1.00 38.62 N ATOM 156 CA LEU A 164 6.929 28.105 -14.764 1.00 38.54 C ATOM 157 C LEU A 164 6.310 27.648 -16.076 1.00 38.35 C ATOM 158 O LEU A 164 6.611 26.556 -16.554 1.00 38.30 O ATOM 159 CB LEU A 164 8.389 28.556 -14.974 1.00 38.65 C ATOM 160 CG LEU A 164 8.829 29.491 -16.125 1.00 38.86 C ATOM 161 CD1 LEU A 164 10.156 30.155 -15.754 1.00 38.94 C ATOM 162 CD2 LEU A 164 8.962 28.783 -17.485 1.00 38.69 C ATOM 163 HA LEU A 164 6.369 28.953 -14.370 1.00 0.00 H ATOM 164 HB2 LEU A 164 8.683 29.057 -14.052 1.00 0.00 H ATOM 165 HB3 LEU A 164 8.971 27.642 -15.091 1.00 0.00 H ATOM 166 HG LEU A 164 8.040 30.234 -16.246 1.00 0.00 H ATOM 167 HD21 LEU A 164 9.706 27.990 -17.409 1.00 0.00 H ATOM 168 HD22 LEU A 164 8.000 28.354 -17.766 1.00 0.00 H ATOM 169 HD23 LEU A 164 9.274 29.505 -18.240 1.00 0.00 H ATOM 170 HD11 LEU A 164 10.028 30.735 -14.840 1.00 0.00 H ATOM 171 HD12 LEU A 164 10.913 29.387 -15.596 1.00 0.00 H ATOM 172 HD13 LEU A 164 10.469 30.815 -16.563 1.00 0.00 H ATOM 173 H LEU A 164 7.795 26.582 -13.508 1.00 0.00 H ATOM 174 N LYS A 165 5.434 28.471 -16.643 1.00 38.22 N ATOM 175 CA LYS A 165 4.837 28.180 -17.947 1.00 38.11 C ATOM 176 C LYS A 165 5.632 28.839 -19.075 1.00 38.10 C ATOM 177 O LYS A 165 6.019 28.173 -20.038 1.00 38.09 O ATOM 178 CB LYS A 165 3.380 28.648 -17.992 1.00 37.96 C ATOM 179 CG LYS A 165 2.396 27.754 -17.243 1.00 37.64 C ATOM 180 CD LYS A 165 0.968 28.260 -17.432 1.00 37.68 C ATOM 181 CE LYS A 165 -0.077 27.337 -16.830 1.00 37.19 C ATOM 182 NZ LYS A 165 -1.422 27.988 -16.802 1.00 36.78 N ATOM 183 HA LYS A 165 4.865 27.100 -18.090 1.00 0.00 H ATOM 184 HB2 LYS A 165 3.331 29.646 -17.556 1.00 0.00 H ATOM 185 HB3 LYS A 165 3.070 28.693 -19.036 1.00 0.00 H ATOM 186 HG2 LYS A 165 2.471 26.737 -17.627 1.00 0.00 H ATOM 187 HG3 LYS A 165 2.642 27.759 -16.181 1.00 0.00 H ATOM 188 HD2 LYS A 165 0.881 29.238 -16.959 1.00 0.00 H ATOM 189 HD3 LYS A 165 0.772 28.356 -18.500 1.00 0.00 H ATOM 190 HE2 LYS A 165 0.217 27.083 -15.811 1.00 0.00 H ATOM 191 HE3 LYS A 165 -0.135 26.427 -17.427 1.00 0.00 H ATOM 192 HZ1 LYS A 165 -1.374 28.855 -16.229 1.00 0.00 H ATOM 193 HZ2 LYS A 165 -1.710 28.228 -17.772 1.00 0.00 H ATOM 194 HZ3 LYS A 165 -2.114 27.333 -16.386 1.00 0.00 H ATOM 195 H LYS A 165 5.166 29.345 -16.147 1.00 0.00 H ATOM 196 N HIS A 166 5.889 30.139 -18.933 1.00 38.26 N ATOM 197 CA HIS A 166 6.458 30.965 -20.006 1.00 38.29 C ATOM 198 C HIS A 166 5.644 30.800 -21.291 1.00 38.36 C ATOM 199 O HIS A 166 6.088 30.158 -22.252 1.00 38.35 O ATOM 200 CB HIS A 166 7.947 30.654 -20.239 1.00 38.38 C ATOM 201 CG HIS A 166 8.582 31.469 -21.333 1.00 38.66 C ATOM 202 ND1 HIS A 166 8.762 32.834 -21.243 1.00 39.16 N ATOM 203 CD2 HIS A 166 9.094 31.104 -22.535 1.00 39.03 C ATOM 204 CE1 HIS A 166 9.348 33.275 -22.343 1.00 39.09 C ATOM 205 NE2 HIS A 166 9.561 32.245 -23.144 1.00 39.02 N ATOM 206 HA HIS A 166 6.400 32.008 -19.694 1.00 0.00 H ATOM 207 HB2 HIS A 166 8.486 30.847 -19.312 1.00 0.00 H ATOM 208 HB3 HIS A 166 8.040 29.600 -20.500 1.00 0.00 H ATOM 209 HD2 HIS A 166 9.129 30.094 -22.943 1.00 0.00 H ATOM 210 HE1 HIS A 166 9.611 34.312 -22.554 1.00 0.00 H ATOM 211 H HIS A 166 5.677 30.590 -18.020 1.00 0.00 H ATOM 212 N GLY A 167 4.435 31.365 -21.276 1.00 38.35 N ATOM 213 CA GLY A 167 3.551 31.397 -22.450 1.00 38.26 C ATOM 214 C GLY A 167 3.182 30.036 -23.020 1.00 38.24 C ATOM 215 O GLY A 167 3.060 29.881 -24.242 1.00 38.28 O ATOM 216 HA3 GLY A 167 4.051 31.967 -23.233 1.00 0.00 H ATOM 217 HA2 GLY A 167 2.630 31.905 -22.165 1.00 0.00 H ATOM 218 H GLY A 167 4.103 31.803 -20.393 1.00 0.00 H ATOM 219 N SER A 168 3.000 29.055 -22.134 1.00 38.11 N ATOM 220 CA SER A 168 2.693 27.685 -22.540 1.00 37.95 C ATOM 221 C SER A 168 1.254 27.322 -22.198 1.00 37.82 C ATOM 222 O SER A 168 0.725 27.727 -21.156 1.00 37.71 O ATOM 223 CB SER A 168 3.647 26.693 -21.870 1.00 38.00 C ATOM 224 OG SER A 168 3.509 25.399 -22.437 1.00 38.07 O ATOM 225 HA SER A 168 2.821 27.626 -23.621 1.00 0.00 H ATOM 226 HB2 SER A 168 3.421 26.643 -20.805 1.00 0.00 H ATOM 227 HB3 SER A 168 4.673 27.036 -22.006 1.00 0.00 H ATOM 228 HG SER A 168 4.134 24.775 -21.989 1.00 0.00 H ATOM 229 H SER A 168 3.079 29.273 -21.120 1.00 0.00 H ATOM 230 N ASP A 169 0.636 26.548 -23.088 1.00 37.66 N ATOM 231 CA ASP A 169 -0.740 26.089 -22.913 1.00 37.44 C ATOM 232 C ASP A 169 -0.780 25.047 -21.803 1.00 37.20 C ATOM 233 O ASP A 169 -1.516 25.203 -20.821 1.00 37.26 O ATOM 234 CB ASP A 169 -1.280 25.485 -24.219 1.00 37.57 C ATOM 235 CG ASP A 169 -1.228 26.463 -25.392 1.00 37.96 C ATOM 236 OD1 ASP A 169 -0.675 27.575 -25.228 1.00 38.34 O ATOM 237 OD2 ASP A 169 -1.737 26.114 -26.483 1.00 38.26 O ATOM 238 HA ASP A 169 -1.368 26.939 -22.645 1.00 0.00 H ATOM 239 HB2 ASP A 169 -0.683 24.608 -24.470 1.00 0.00 H ATOM 240 HB3 ASP A 169 -2.316 25.185 -24.062 1.00 0.00 H ATOM 241 H ASP A 169 1.154 26.258 -23.942 1.00 0.00 H ATOM 242 N LYS A 170 0.036 24.004 -21.970 1.00 36.78 N ATOM 243 CA LYS A 170 0.153 22.899 -21.015 1.00 36.41 C ATOM 244 C LYS A 170 -0.278 23.315 -19.614 1.00 35.95 C ATOM 245 O LYS A 170 0.345 24.188 -19.008 1.00 35.78 O ATOM 246 CB LYS A 170 1.591 22.379 -20.979 1.00 36.46 C ATOM 247 CG LYS A 170 1.996 21.596 -22.230 1.00 36.69 C ATOM 248 CD LYS A 170 3.515 21.498 -22.381 1.00 36.73 C ATOM 249 CE LYS A 170 3.916 21.058 -23.789 1.00 36.85 C ATOM 250 NZ LYS A 170 5.390 21.144 -24.008 1.00 36.94 N ATOM 251 HA LYS A 170 -0.514 22.105 -21.351 1.00 0.00 H ATOM 252 HB2 LYS A 170 2.262 23.231 -20.874 1.00 0.00 H ATOM 253 HB3 LYS A 170 1.699 21.725 -20.114 1.00 0.00 H ATOM 254 HG2 LYS A 170 1.583 20.589 -22.164 1.00 0.00 H ATOM 255 HG3 LYS A 170 1.587 22.098 -23.107 1.00 0.00 H ATOM 256 HD2 LYS A 170 3.954 22.475 -22.177 1.00 0.00 H ATOM 257 HD3 LYS A 170 3.896 20.773 -21.662 1.00 0.00 H ATOM 258 HE2 LYS A 170 3.415 21.700 -24.514 1.00 0.00 H ATOM 259 HE3 LYS A 170 3.598 20.026 -23.939 1.00 0.00 H ATOM 260 HZ1 LYS A 170 5.702 22.127 -23.875 1.00 0.00 H ATOM 261 HZ2 LYS A 170 5.877 20.529 -23.326 1.00 0.00 H ATOM 262 HZ3 LYS A 170 5.614 20.836 -24.976 1.00 0.00 H ATOM 263 H LYS A 170 0.623 23.974 -22.828 1.00 0.00 H ATOM 264 N PRO A 171 -1.361 22.707 -19.101 1.00 35.53 N ATOM 265 CA PRO A 171 -1.823 23.031 -17.757 1.00 35.34 C ATOM 266 C PRO A 171 -0.844 22.540 -16.698 1.00 35.04 C ATOM 267 O PRO A 171 0.037 21.735 -17.008 1.00 35.09 O ATOM 268 CB PRO A 171 -3.149 22.263 -17.638 1.00 35.36 C ATOM 269 CG PRO A 171 -3.488 21.813 -19.002 1.00 35.37 C ATOM 270 CD PRO A 171 -2.213 21.689 -19.738 1.00 35.50 C ATOM 271 HA PRO A 171 -1.923 24.105 -17.603 1.00 0.00 H ATOM 272 HD3 PRO A 171 -1.788 20.692 -19.620 1.00 0.00 H ATOM 273 HD2 PRO A 171 -2.350 21.901 -20.798 1.00 0.00 H ATOM 274 HG3 PRO A 171 -4.134 22.544 -19.489 1.00 0.00 H ATOM 275 HG2 PRO A 171 -3.996 20.849 -18.965 1.00 0.00 H ATOM 276 HB2 PRO A 171 -3.031 21.406 -16.975 1.00 0.00 H ATOM 277 HB3 PRO A 171 -3.931 22.916 -17.250 1.00 0.00 H ATOM 278 N LEU A 172 -0.994 23.019 -15.464 1.00 34.66 N ATOM 279 CA LEU A 172 -0.209 22.484 -14.354 1.00 34.33 C ATOM 280 C LEU A 172 -0.563 21.017 -14.170 1.00 34.09 C ATOM 281 O LEU A 172 0.320 20.181 -13.983 1.00 34.18 O ATOM 282 CB LEU A 172 -0.462 23.246 -13.054 1.00 34.22 C ATOM 283 CG LEU A 172 0.050 24.684 -12.880 1.00 34.21 C ATOM 284 CD1 LEU A 172 1.071 25.074 -13.940 1.00 34.22 C ATOM 285 CD2 LEU A 172 -1.094 25.681 -12.874 1.00 34.51 C ATOM 286 HA LEU A 172 0.848 22.597 -14.594 1.00 0.00 H ATOM 287 HB2 LEU A 172 -1.543 23.281 -12.917 1.00 0.00 H ATOM 288 HB3 LEU A 172 -0.015 22.656 -12.254 1.00 0.00 H ATOM 289 HG LEU A 172 0.551 24.711 -11.912 1.00 0.00 H ATOM 290 HD21 LEU A 172 -1.635 25.617 -13.818 1.00 0.00 H ATOM 291 HD22 LEU A 172 -1.770 25.451 -12.050 1.00 0.00 H ATOM 292 HD23 LEU A 172 -0.696 26.688 -12.749 1.00 0.00 H ATOM 293 HD11 LEU A 172 1.928 24.403 -13.881 1.00 0.00 H ATOM 294 HD12 LEU A 172 0.615 24.997 -14.927 1.00 0.00 H ATOM 295 HD13 LEU A 172 1.398 26.099 -13.768 1.00 0.00 H ATOM 296 H LEU A 172 -1.678 23.783 -15.289 1.00 0.00 H ATOM 297 N GLY A 173 -1.858 20.714 -14.231 1.00 33.79 N ATOM 298 CA GLY A 173 -2.328 19.335 -14.233 1.00 33.64 C ATOM 299 C GLY A 173 -1.947 18.545 -12.995 1.00 33.50 C ATOM 300 O GLY A 173 -1.216 17.554 -13.080 1.00 33.46 O ATOM 301 HA3 GLY A 173 -1.907 18.831 -15.103 1.00 0.00 H ATOM 302 HA2 GLY A 173 -3.415 19.344 -14.311 1.00 0.00 H ATOM 303 H GLY A 173 -2.555 21.485 -14.279 1.00 0.00 H ATOM 304 N PHE A 174 -2.424 19.004 -11.842 1.00 33.30 N ATOM 305 CA PHE A 174 -2.365 18.219 -10.613 1.00 33.13 C ATOM 306 C PHE A 174 -3.523 18.592 -9.694 1.00 33.02 C ATOM 307 O PHE A 174 -4.162 19.632 -9.875 1.00 32.95 O ATOM 308 CB PHE A 174 -0.999 18.348 -9.907 1.00 33.01 C ATOM 309 CG PHE A 174 -0.720 19.710 -9.310 1.00 32.98 C ATOM 310 CD1 PHE A 174 -0.926 19.945 -7.957 1.00 33.21 C ATOM 311 CD2 PHE A 174 -0.210 20.742 -10.090 1.00 32.91 C ATOM 312 CE1 PHE A 174 -0.654 21.195 -7.396 1.00 33.03 C ATOM 313 CE2 PHE A 174 0.061 21.989 -9.538 1.00 32.67 C ATOM 314 CZ PHE A 174 -0.159 22.214 -8.190 1.00 32.90 C ATOM 315 HA PHE A 174 -2.469 17.167 -10.878 1.00 0.00 H ATOM 316 HB2 PHE A 174 -0.961 17.611 -9.105 1.00 0.00 H ATOM 317 HB3 PHE A 174 -0.218 18.130 -10.636 1.00 0.00 H ATOM 318 HD2 PHE A 174 -0.020 20.571 -11.150 1.00 0.00 H ATOM 319 HE2 PHE A 174 0.447 22.791 -10.168 1.00 0.00 H ATOM 320 HZ PHE A 174 0.057 23.190 -7.756 1.00 0.00 H ATOM 321 HE1 PHE A 174 -0.831 21.367 -6.334 1.00 0.00 H ATOM 322 HD1 PHE A 174 -1.305 19.143 -7.324 1.00 0.00 H ATOM 323 H PHE A 174 -2.852 19.951 -11.815 1.00 0.00 H ATOM 324 N TYR A 175 -3.808 17.712 -8.742 1.00 32.98 N ATOM 325 CA TYR A 175 -4.848 17.932 -7.748 1.00 33.03 C ATOM 326 C TYR A 175 -4.192 18.023 -6.373 1.00 33.06 C ATOM 327 O TYR A 175 -3.102 17.481 -6.165 1.00 33.10 O ATOM 328 CB TYR A 175 -5.838 16.767 -7.748 1.00 32.97 C ATOM 329 CG TYR A 175 -6.750 16.672 -8.954 1.00 32.94 C ATOM 330 CD1 TYR A 175 -8.091 17.036 -8.865 1.00 33.03 C ATOM 331 CD2 TYR A 175 -6.284 16.183 -10.172 1.00 33.02 C ATOM 332 CE1 TYR A 175 -8.943 16.930 -9.960 1.00 32.88 C ATOM 333 CE2 TYR A 175 -7.128 16.079 -11.276 1.00 32.85 C ATOM 334 CZ TYR A 175 -8.456 16.457 -11.161 1.00 32.86 C ATOM 335 OH TYR A 175 -9.303 16.361 -12.240 1.00 32.86 O ATOM 336 HA TYR A 175 -5.383 18.852 -7.983 1.00 0.00 H ATOM 337 HB3 TYR A 175 -6.465 16.862 -6.862 1.00 0.00 H ATOM 338 HB2 TYR A 175 -5.265 15.842 -7.689 1.00 0.00 H ATOM 339 HD2 TYR A 175 -5.242 15.877 -10.263 1.00 0.00 H ATOM 340 HE2 TYR A 175 -6.746 15.702 -12.225 1.00 0.00 H ATOM 341 HE1 TYR A 175 -9.990 17.219 -9.869 1.00 0.00 H ATOM 342 HD1 TYR A 175 -8.481 17.411 -7.919 1.00 0.00 H ATOM 343 HH TYR A 175 -10.206 16.672 -11.978 1.00 0.00 H ATOM 344 H TYR A 175 -3.264 16.826 -8.705 1.00 0.00 H ATOM 345 N ILE A 176 -4.854 18.700 -5.439 1.00 33.08 N ATOM 346 CA ILE A 176 -4.418 18.720 -4.036 1.00 33.12 C ATOM 347 C ILE A 176 -5.560 18.264 -3.138 1.00 33.22 C ATOM 348 O ILE A 176 -6.718 18.332 -3.540 1.00 33.30 O ATOM 349 CB ILE A 176 -3.910 20.114 -3.578 1.00 32.97 C ATOM 350 CG1 ILE A 176 -4.915 21.217 -3.916 1.00 32.93 C ATOM 351 CG2 ILE A 176 -2.570 20.425 -4.215 1.00 33.06 C ATOM 352 CD1 ILE A 176 -4.605 22.533 -3.249 1.00 32.90 C ATOM 353 HA ILE A 176 -3.574 18.035 -3.954 1.00 0.00 H ATOM 354 HB ILE A 176 -3.794 20.081 -2.495 1.00 0.00 H ATOM 355 HG12 ILE A 176 -4.914 21.367 -4.996 1.00 0.00 H ATOM 356 HG13 ILE A 176 -5.905 20.892 -3.597 1.00 0.00 H ATOM 357 HD11 ILE A 176 -4.613 22.401 -2.167 1.00 0.00 H ATOM 358 HD12 ILE A 176 -3.621 22.877 -3.567 1.00 0.00 H ATOM 359 HD13 ILE A 176 -5.357 23.269 -3.533 1.00 0.00 H ATOM 360 HG21 ILE A 176 -1.844 19.668 -3.919 1.00 0.00 H ATOM 361 HG22 ILE A 176 -2.676 20.424 -5.300 1.00 0.00 H ATOM 362 HG23 ILE A 176 -2.230 21.406 -3.882 1.00 0.00 H ATOM 363 H ILE A 176 -5.706 19.231 -5.710 1.00 0.00 H ATOM 364 N ARG A 177 -5.232 17.800 -1.933 1.00 33.37 N ATOM 365 CA ARG A 177 -6.246 17.310 -0.997 1.00 33.53 C ATOM 366 C ARG A 177 -5.932 17.601 0.471 1.00 33.64 C ATOM 367 O ARG A 177 -4.813 17.973 0.821 1.00 33.69 O ATOM 368 CB ARG A 177 -6.462 15.806 -1.195 1.00 33.68 C ATOM 369 CG ARG A 177 -5.189 14.947 -1.158 1.00 34.01 C ATOM 370 CD ARG A 177 -5.053 14.147 0.126 1.00 34.16 C ATOM 371 NE ARG A 177 -3.848 13.315 0.117 1.00 34.17 N ATOM 372 CZ ARG A 177 -3.321 12.722 1.187 1.00 33.99 C ATOM 373 NH1 ARG A 177 -3.886 12.843 2.384 1.00 34.32 N ATOM 374 NH2 ARG A 177 -2.214 12.003 1.060 1.00 33.71 N ATOM 375 HA ARG A 177 -7.158 17.860 -1.228 1.00 0.00 H ATOM 376 HB2 ARG A 177 -7.128 15.455 -0.407 1.00 0.00 H ATOM 377 HB3 ARG A 177 -6.939 15.659 -2.164 1.00 0.00 H ATOM 378 HG2 ARG A 177 -5.212 14.254 -1.999 1.00 0.00 H ATOM 379 HG3 ARG A 177 -4.324 15.603 -1.253 1.00 0.00 H ATOM 380 HD2 ARG A 177 -5.926 13.504 0.237 1.00 0.00 H ATOM 381 HD3 ARG A 177 -5.001 14.836 0.969 1.00 0.00 H ATOM 382 HE ARG A 177 -3.367 13.177 -0.795 1.00 0.00 H ATOM 383 HH12 ARG A 177 -3.462 12.373 3.209 1.00 0.00 H ATOM 384 HH11 ARG A 177 -4.753 13.407 2.495 1.00 0.00 H ATOM 385 HH22 ARG A 177 -1.798 11.538 1.892 1.00 0.00 H ATOM 386 HH21 ARG A 177 -1.762 11.904 0.129 1.00 0.00 H ATOM 387 H ARG A 177 -4.231 17.785 -1.650 1.00 0.00 H ATOM 388 N ASP A 178 -6.954 17.448 1.311 1.00 33.77 N ATOM 389 CA ASP A 178 -6.808 17.497 2.765 1.00 33.87 C ATOM 390 C ASP A 178 -6.062 16.256 3.262 1.00 33.97 C ATOM 391 O ASP A 178 -6.342 15.140 2.826 1.00 34.08 O ATOM 392 CB ASP A 178 -8.183 17.520 3.452 1.00 33.95 C ATOM 393 CG ASP A 178 -8.881 18.866 3.360 1.00 34.20 C ATOM 394 OD1 ASP A 178 -10.127 18.859 3.276 1.00 34.54 O ATOM 395 OD2 ASP A 178 -8.209 19.923 3.397 1.00 34.60 O ATOM 396 HA ASP A 178 -6.254 18.403 3.009 1.00 0.00 H ATOM 397 HB2 ASP A 178 -8.817 16.769 2.981 1.00 0.00 H ATOM 398 HB3 ASP A 178 -8.048 17.272 4.505 1.00 0.00 H ATOM 399 H ASP A 178 -7.901 17.286 0.914 1.00 0.00 H ATOM 400 N GLY A 179 -5.132 16.458 4.190 1.00 34.01 N ATOM 401 CA GLY A 179 -4.443 15.355 4.855 1.00 33.94 C ATOM 402 C GLY A 179 -4.040 15.736 6.267 1.00 33.95 C ATOM 403 O GLY A 179 -4.461 16.771 6.787 1.00 33.91 O ATOM 404 HA3 GLY A 179 -3.549 15.098 4.286 1.00 0.00 H ATOM 405 HA2 GLY A 179 -5.107 14.492 4.895 1.00 0.00 H ATOM 406 H GLY A 179 -4.887 17.434 4.451 1.00 0.00 H ATOM 407 N THR A 180 -3.221 14.891 6.883 1.00 34.00 N ATOM 408 CA THR A 180 -2.731 15.123 8.237 1.00 34.00 C ATOM 409 C THR A 180 -1.209 15.045 8.227 1.00 33.97 C ATOM 410 O THR A 180 -0.639 14.045 7.786 1.00 34.11 O ATOM 411 CB THR A 180 -3.336 14.091 9.225 1.00 34.07 C ATOM 412 OG1 THR A 180 -4.654 14.512 9.597 1.00 34.30 O ATOM 413 CG2 THR A 180 -2.496 13.943 10.491 1.00 34.11 C ATOM 414 HA THR A 180 -3.039 16.113 8.574 1.00 0.00 H ATOM 415 HB THR A 180 -3.359 13.126 8.719 1.00 0.00 H ATOM 416 HG1 THR A 180 -5.043 13.856 10.228 1.00 0.00 H ATOM 417 HG23 THR A 180 -1.489 13.623 10.222 1.00 0.00 H ATOM 418 HG21 THR A 180 -2.448 14.902 11.008 1.00 0.00 H ATOM 419 HG22 THR A 180 -2.953 13.199 11.144 1.00 0.00 H ATOM 420 H THR A 180 -2.918 14.032 6.381 1.00 0.00 H ATOM 421 N SER A 181 -0.561 16.106 8.700 1.00 33.87 N ATOM 422 CA SER A 181 0.893 16.143 8.800 1.00 33.89 C ATOM 423 C SER A 181 1.293 16.275 10.256 1.00 33.79 C ATOM 424 O SER A 181 0.550 16.838 11.053 1.00 33.73 O ATOM 425 CB SER A 181 1.446 17.326 8.020 1.00 33.83 C ATOM 426 OG SER A 181 0.957 18.538 8.558 1.00 34.07 O ATOM 427 HA SER A 181 1.299 15.221 8.384 1.00 0.00 H ATOM 428 HB2 SER A 181 1.139 17.245 6.977 1.00 0.00 H ATOM 429 HB3 SER A 181 2.534 17.319 8.079 1.00 0.00 H ATOM 430 HG SER A 181 1.324 19.299 8.042 1.00 0.00 H ATOM 431 H SER A 181 -1.109 16.935 9.008 1.00 0.00 H ATOM 432 N VAL A 182 2.473 15.766 10.594 1.00 33.83 N ATOM 433 CA VAL A 182 2.962 15.824 11.966 1.00 33.92 C ATOM 434 C VAL A 182 4.052 16.886 12.110 1.00 33.93 C ATOM 435 O VAL A 182 5.063 16.859 11.404 1.00 33.98 O ATOM 436 CB VAL A 182 3.451 14.440 12.471 1.00 33.95 C ATOM 437 CG1 VAL A 182 2.354 13.402 12.284 1.00 33.93 C ATOM 438 CG2 VAL A 182 4.733 13.997 11.770 1.00 34.33 C ATOM 439 HA VAL A 182 2.122 16.111 12.599 1.00 0.00 H ATOM 440 HB VAL A 182 3.681 14.534 13.532 1.00 0.00 H ATOM 441 HG11 VAL A 182 1.472 13.701 12.851 1.00 0.00 H ATOM 442 HG12 VAL A 182 2.100 13.330 11.226 1.00 0.00 H ATOM 443 HG13 VAL A 182 2.706 12.434 12.641 1.00 0.00 H ATOM 444 HG21 VAL A 182 4.553 13.925 10.697 1.00 0.00 H ATOM 445 HG22 VAL A 182 5.520 14.727 11.959 1.00 0.00 H ATOM 446 HG23 VAL A 182 5.038 13.024 12.155 1.00 0.00 H ATOM 447 H VAL A 182 3.061 15.316 9.863 1.00 0.00 H ATOM 448 N ARG A 183 3.822 17.823 13.027 1.00 33.89 N ATOM 449 CA ARG A 183 4.711 18.956 13.236 1.00 33.83 C ATOM 450 C ARG A 183 5.168 19.007 14.687 1.00 33.49 C ATOM 451 O ARG A 183 4.560 18.376 15.550 1.00 33.47 O ATOM 452 CB ARG A 183 3.981 20.239 12.866 1.00 34.03 C ATOM 453 CG ARG A 183 3.303 20.180 11.496 1.00 34.40 C ATOM 454 CD ARG A 183 3.274 21.556 10.847 1.00 35.11 C ATOM 455 NE ARG A 183 2.640 21.571 9.526 1.00 36.21 N ATOM 456 CZ ARG A 183 1.329 21.702 9.298 1.00 37.47 C ATOM 457 NH1 ARG A 183 0.467 21.808 10.309 1.00 38.06 N ATOM 458 NH2 ARG A 183 0.871 21.714 8.045 1.00 37.34 N ATOM 459 HA ARG A 183 5.592 18.847 12.604 1.00 0.00 H ATOM 460 HB2 ARG A 183 3.219 20.433 13.621 1.00 0.00 H ATOM 461 HB3 ARG A 183 4.701 21.057 12.860 1.00 0.00 H ATOM 462 HG2 ARG A 183 3.854 19.493 10.854 1.00 0.00 H ATOM 463 HG3 ARG A 183 2.281 19.821 11.618 1.00 0.00 H ATOM 464 HD2 ARG A 183 4.300 21.908 10.741 1.00 0.00 H ATOM 465 HD3 ARG A 183 2.724 22.234 11.500 1.00 0.00 H ATOM 466 HE ARG A 183 3.261 21.472 8.698 1.00 0.00 H ATOM 467 HH12 ARG A 183 -0.550 21.909 10.117 1.00 0.00 H ATOM 468 HH11 ARG A 183 0.811 21.789 11.290 1.00 0.00 H ATOM 469 HH22 ARG A 183 -0.148 21.816 7.865 1.00 0.00 H ATOM 470 HH21 ARG A 183 1.533 21.622 7.248 1.00 0.00 H ATOM 471 H ARG A 183 2.971 17.742 13.619 1.00 0.00 H ATOM 472 N VAL A 184 6.242 19.752 14.947 1.00 33.16 N ATOM 473 CA VAL A 184 6.803 19.868 16.304 1.00 32.87 C ATOM 474 C VAL A 184 6.112 20.966 17.115 1.00 32.55 C ATOM 475 O VAL A 184 5.661 21.964 16.559 1.00 32.69 O ATOM 476 CB VAL A 184 8.337 20.136 16.295 1.00 32.85 C ATOM 477 CG1 VAL A 184 9.100 18.886 15.873 1.00 32.65 C ATOM 478 CG2 VAL A 184 8.696 21.329 15.397 1.00 33.29 C ATOM 479 HA VAL A 184 6.621 18.903 16.777 1.00 0.00 H ATOM 480 HB VAL A 184 8.635 20.392 17.312 1.00 0.00 H ATOM 481 HG11 VAL A 184 8.887 18.078 16.573 1.00 0.00 H ATOM 482 HG12 VAL A 184 8.787 18.592 14.871 1.00 0.00 H ATOM 483 HG13 VAL A 184 10.169 19.097 15.874 1.00 0.00 H ATOM 484 HG21 VAL A 184 8.376 21.123 14.376 1.00 0.00 H ATOM 485 HG22 VAL A 184 8.192 22.223 15.764 1.00 0.00 H ATOM 486 HG23 VAL A 184 9.775 21.485 15.416 1.00 0.00 H ATOM 487 H VAL A 184 6.698 20.268 14.167 1.00 0.00 H ATOM 488 N THR A 185 6.033 20.766 18.427 1.00 32.21 N ATOM 489 CA THR A 185 5.411 21.722 19.342 1.00 32.02 C ATOM 490 C THR A 185 6.121 21.620 20.683 1.00 31.78 C ATOM 491 O THR A 185 6.961 20.743 20.871 1.00 31.84 O ATOM 492 CB THR A 185 3.905 21.413 19.533 1.00 31.99 C ATOM 493 OG1 THR A 185 3.306 21.138 18.264 1.00 31.84 O ATOM 494 CG2 THR A 185 3.162 22.581 20.180 1.00 32.21 C ATOM 495 HA THR A 185 5.498 22.727 18.928 1.00 0.00 H ATOM 496 HB THR A 185 3.830 20.548 20.192 1.00 0.00 H ATOM 497 HG1 THR A 185 3.408 21.927 17.674 1.00 0.00 H ATOM 498 HG23 THR A 185 3.609 22.802 21.149 1.00 0.00 H ATOM 499 HG21 THR A 185 3.235 23.458 19.537 1.00 0.00 H ATOM 500 HG22 THR A 185 2.114 22.314 20.314 1.00 0.00 H ATOM 501 H THR A 185 6.432 19.890 18.820 1.00 0.00 H ATOM 502 N ALA A 186 5.802 22.520 21.608 1.00 31.59 N ATOM 503 CA ALA A 186 6.283 22.413 22.988 1.00 31.44 C ATOM 504 C ALA A 186 5.714 21.178 23.703 1.00 31.29 C ATOM 505 O ALA A 186 6.311 20.670 24.661 1.00 31.39 O ATOM 506 CB ALA A 186 5.939 23.678 23.763 1.00 31.46 C ATOM 507 HA ALA A 186 7.366 22.296 22.950 1.00 0.00 H ATOM 508 HB1 ALA A 186 6.412 24.536 23.285 1.00 0.00 H ATOM 509 HB2 ALA A 186 4.858 23.815 23.771 1.00 0.00 H ATOM 510 HB3 ALA A 186 6.302 23.585 24.787 1.00 0.00 H ATOM 511 H ALA A 186 5.194 23.322 21.345 1.00 0.00 H ATOM 512 N SER A 187 4.553 20.714 23.244 1.00 31.03 N ATOM 513 CA SER A 187 3.943 19.489 23.749 1.00 30.90 C ATOM 514 C SER A 187 4.631 18.244 23.185 1.00 30.71 C ATOM 515 O SER A 187 4.665 17.205 23.836 1.00 30.73 O ATOM 516 CB SER A 187 2.449 19.468 23.413 1.00 30.84 C ATOM 517 OG SER A 187 2.214 19.944 22.098 1.00 31.11 O ATOM 518 HA SER A 187 4.068 19.475 24.832 1.00 0.00 H ATOM 519 HB2 SER A 187 1.916 20.101 24.122 1.00 0.00 H ATOM 520 HB3 SER A 187 2.080 18.445 23.493 1.00 0.00 H ATOM 521 HG SER A 187 2.693 19.369 21.450 1.00 0.00 H ATOM 522 H SER A 187 4.062 21.246 22.497 1.00 0.00 H ATOM 523 N GLY A 188 5.179 18.360 21.979 1.00 30.57 N ATOM 524 CA GLY A 188 5.830 17.243 21.300 1.00 30.54 C ATOM 525 C GLY A 188 5.408 17.197 19.845 1.00 30.50 C ATOM 526 O GLY A 188 5.276 18.240 19.206 1.00 30.53 O ATOM 527 HA3 GLY A 188 5.546 16.310 21.787 1.00 0.00 H ATOM 528 HA2 GLY A 188 6.911 17.367 21.358 1.00 0.00 H ATOM 529 H GLY A 188 5.143 19.283 21.500 1.00 0.00 H ATOM 530 N LEU A 189 5.187 15.993 19.324 1.00 30.49 N ATOM 531 CA LEU A 189 4.752 15.810 17.939 1.00 30.55 C ATOM 532 C LEU A 189 3.226 15.742 17.872 1.00 30.60 C ATOM 533 O LEU A 189 2.606 14.935 18.564 1.00 30.67 O ATOM 534 CB LEU A 189 5.368 14.537 17.353 1.00 30.44 C ATOM 535 CG LEU A 189 6.900 14.467 17.361 1.00 30.21 C ATOM 536 CD1 LEU A 189 7.379 13.075 16.988 1.00 30.13 C ATOM 537 CD2 LEU A 189 7.502 15.503 16.425 1.00 30.05 C ATOM 538 HA LEU A 189 5.090 16.662 17.349 1.00 0.00 H ATOM 539 HB2 LEU A 189 4.992 13.690 17.926 1.00 0.00 H ATOM 540 HB3 LEU A 189 5.035 14.451 16.319 1.00 0.00 H ATOM 541 HG LEU A 189 7.236 14.689 18.374 1.00 0.00 H ATOM 542 HD21 LEU A 189 7.150 15.321 15.409 1.00 0.00 H ATOM 543 HD22 LEU A 189 7.197 16.500 16.744 1.00 0.00 H ATOM 544 HD23 LEU A 189 8.589 15.428 16.453 1.00 0.00 H ATOM 545 HD11 LEU A 189 6.990 12.354 17.707 1.00 0.00 H ATOM 546 HD12 LEU A 189 7.021 12.824 15.990 1.00 0.00 H ATOM 547 HD13 LEU A 189 8.469 13.052 17.001 1.00 0.00 H ATOM 548 H LEU A 189 5.328 15.153 19.921 1.00 0.00 H ATOM 549 N GLU A 190 2.633 16.593 17.038 1.00 30.79 N ATOM 550 CA GLU A 190 1.177 16.737 16.956 1.00 31.01 C ATOM 551 C GLU A 190 0.684 16.517 15.529 1.00 31.01 C ATOM 552 O GLU A 190 1.348 16.917 14.580 1.00 30.88 O ATOM 553 CB GLU A 190 0.754 18.143 17.400 1.00 31.16 C ATOM 554 CG GLU A 190 1.408 18.654 18.688 1.00 31.75 C ATOM 555 CD GLU A 190 0.867 17.999 19.946 1.00 32.63 C ATOM 556 OE1 GLU A 190 -0.371 17.929 20.104 1.00 33.38 O ATOM 557 OE2 GLU A 190 1.683 17.573 20.793 1.00 33.38 O ATOM 558 HA GLU A 190 0.738 15.986 17.613 1.00 0.00 H ATOM 559 HB2 GLU A 190 1.004 18.838 16.598 1.00 0.00 H ATOM 560 HB3 GLU A 190 -0.325 18.137 17.551 1.00 0.00 H ATOM 561 HG2 GLU A 190 2.479 18.460 18.631 1.00 0.00 H ATOM 562 HG3 GLU A 190 1.238 19.728 18.758 1.00 0.00 H ATOM 563 H GLU A 190 3.228 17.180 16.419 1.00 0.00 H ATOM 564 N LYS A 191 -0.483 15.890 15.388 1.00 31.22 N ATOM 565 CA LYS A 191 -1.150 15.749 14.092 1.00 31.43 C ATOM 566 C LYS A 191 -1.902 17.035 13.788 1.00 31.59 C ATOM 567 O LYS A 191 -2.795 17.421 14.538 1.00 31.72 O ATOM 568 CB LYS A 191 -2.156 14.590 14.100 1.00 31.40 C ATOM 569 CG LYS A 191 -1.563 13.212 14.345 1.00 31.48 C ATOM 570 CD LYS A 191 -2.646 12.124 14.376 1.00 31.51 C ATOM 571 CE LYS A 191 -2.225 10.921 15.221 1.00 31.46 C ATOM 572 NZ LYS A 191 -3.198 9.792 15.155 1.00 31.61 N ATOM 573 HA LYS A 191 -0.391 15.545 13.337 1.00 0.00 H ATOM 574 HB2 LYS A 191 -2.888 14.785 14.884 1.00 0.00 H ATOM 575 HB3 LYS A 191 -2.657 14.573 13.132 1.00 0.00 H ATOM 576 HG2 LYS A 191 -0.856 12.984 13.547 1.00 0.00 H ATOM 577 HG3 LYS A 191 -1.040 13.217 15.301 1.00 0.00 H ATOM 578 HD2 LYS A 191 -3.559 12.547 14.796 1.00 0.00 H ATOM 579 HD3 LYS A 191 -2.838 11.789 13.357 1.00 0.00 H ATOM 580 HE2 LYS A 191 -2.133 11.241 16.259 1.00 0.00 H ATOM 581 HE3 LYS A 191 -1.258 10.567 14.864 1.00 0.00 H ATOM 582 HZ1 LYS A 191 -4.124 10.113 15.502 1.00 0.00 H ATOM 583 HZ2 LYS A 191 -3.288 9.471 14.170 1.00 0.00 H ATOM 584 HZ3 LYS A 191 -2.858 9.008 15.747 1.00 0.00 H ATOM 585 H LYS A 191 -0.938 15.485 16.231 1.00 0.00 H ATOM 586 N GLN A 192 -1.548 17.697 12.692 1.00 31.81 N ATOM 587 CA GLN A 192 -2.239 18.912 12.277 1.00 31.93 C ATOM 588 C GLN A 192 -2.727 18.787 10.842 1.00 31.97 C ATOM 589 O GLN A 192 -2.177 17.999 10.066 1.00 32.01 O ATOM 590 CB GLN A 192 -1.321 20.122 12.428 1.00 32.01 C ATOM 591 CG GLN A 192 -1.234 20.618 13.867 1.00 32.43 C ATOM 592 CD GLN A 192 0.124 21.216 14.221 1.00 32.59 C ATOM 593 OE1 GLN A 192 0.878 21.644 13.335 1.00 33.13 O ATOM 594 NE2 GLN A 192 0.447 21.234 15.531 1.00 33.21 N ATOM 595 HA GLN A 192 -3.107 19.053 12.921 1.00 0.00 H ATOM 596 HB2 GLN A 192 -0.321 19.846 12.093 1.00 0.00 H ATOM 597 HB3 GLN A 192 -1.702 20.930 11.803 1.00 0.00 H ATOM 598 HG2 GLN A 192 -1.998 21.381 14.016 1.00 0.00 H ATOM 599 HG3 GLN A 192 -1.426 19.778 14.534 1.00 0.00 H ATOM 600 HE22 GLN A 192 -0.221 20.863 16.236 1.00 0.00 H ATOM 601 HE21 GLN A 192 1.364 21.619 15.835 1.00 0.00 H ATOM 602 H GLN A 192 -0.759 17.340 12.116 1.00 0.00 H ATOM 603 N PRO A 193 -3.774 19.554 10.488 1.00 31.97 N ATOM 604 CA PRO A 193 -4.287 19.551 9.122 1.00 31.91 C ATOM 605 C PRO A 193 -3.232 19.982 8.118 1.00 31.98 C ATOM 606 O PRO A 193 -2.492 20.933 8.368 1.00 32.14 O ATOM 607 CB PRO A 193 -5.427 20.574 9.167 1.00 31.84 C ATOM 608 CG PRO A 193 -5.803 20.675 10.591 1.00 31.94 C ATOM 609 CD PRO A 193 -4.550 20.452 11.363 1.00 31.92 C ATOM 610 HA PRO A 193 -4.602 18.557 8.805 1.00 0.00 H ATOM 611 HD3 PRO A 193 -4.021 21.390 11.530 1.00 0.00 H ATOM 612 HD2 PRO A 193 -4.760 19.979 12.322 1.00 0.00 H ATOM 613 HG3 PRO A 193 -6.543 19.916 10.842 1.00 0.00 H ATOM 614 HG2 PRO A 193 -6.210 21.663 10.806 1.00 0.00 H ATOM 615 HB2 PRO A 193 -5.089 21.540 8.792 1.00 0.00 H ATOM 616 HB3 PRO A 193 -6.273 20.230 8.572 1.00 0.00 H ATOM 617 N GLY A 194 -3.170 19.284 6.990 1.00 32.10 N ATOM 618 CA GLY A 194 -2.193 19.588 5.952 1.00 32.08 C ATOM 619 C GLY A 194 -2.798 19.579 4.566 1.00 32.08 C ATOM 620 O GLY A 194 -3.976 19.250 4.389 1.00 31.90 O ATOM 621 HA3 GLY A 194 -1.398 18.844 5.991 1.00 0.00 H ATOM 622 HA2 GLY A 194 -1.774 20.576 6.144 1.00 0.00 H ATOM 623 H GLY A 194 -3.837 18.499 6.843 1.00 0.00 H ATOM 624 N ILE A 195 -1.977 19.963 3.591 1.00 32.17 N ATOM 625 CA ILE A 195 -2.353 19.932 2.184 1.00 32.15 C ATOM 626 C ILE A 195 -1.353 19.062 1.437 1.00 32.11 C ATOM 627 O ILE A 195 -0.141 19.231 1.588 1.00 31.92 O ATOM 628 CB ILE A 195 -2.370 21.342 1.571 1.00 32.25 C ATOM 629 CG1 ILE A 195 -3.379 22.234 2.301 1.00 32.26 C ATOM 630 CG2 ILE A 195 -2.696 21.276 0.074 1.00 32.35 C ATOM 631 CD1 ILE A 195 -4.833 21.929 1.980 1.00 32.64 C ATOM 632 HA ILE A 195 -3.360 19.524 2.099 1.00 0.00 H ATOM 633 HB ILE A 195 -1.378 21.778 1.687 1.00 0.00 H ATOM 634 HG12 ILE A 195 -3.233 22.108 3.374 1.00 0.00 H ATOM 635 HG13 ILE A 195 -3.179 23.270 2.028 1.00 0.00 H ATOM 636 HD11 ILE A 195 -5.004 22.063 0.912 1.00 0.00 H ATOM 637 HD12 ILE A 195 -5.057 20.899 2.259 1.00 0.00 H ATOM 638 HD13 ILE A 195 -5.477 22.607 2.540 1.00 0.00 H ATOM 639 HG21 ILE A 195 -1.940 20.678 -0.435 1.00 0.00 H ATOM 640 HG22 ILE A 195 -3.676 20.819 -0.063 1.00 0.00 H ATOM 641 HG23 ILE A 195 -2.703 22.284 -0.340 1.00 0.00 H ATOM 642 H ILE A 195 -1.026 20.300 3.845 1.00 0.00 H ATOM 643 N PHE A 196 -1.875 18.135 0.634 1.00 32.15 N ATOM 644 CA PHE A 196 -1.061 17.117 -0.025 1.00 32.27 C ATOM 645 C PHE A 196 -1.419 16.977 -1.494 1.00 32.37 C ATOM 646 O PHE A 196 -2.508 17.367 -1.908 1.00 32.53 O ATOM 647 CB PHE A 196 -1.254 15.769 0.669 1.00 32.19 C ATOM 648 CG PHE A 196 -0.711 15.729 2.064 1.00 32.15 C ATOM 649 CD1 PHE A 196 -1.456 16.215 3.126 1.00 32.10 C ATOM 650 CD2 PHE A 196 0.550 15.212 2.317 1.00 32.03 C ATOM 651 CE1 PHE A 196 -0.956 16.182 4.413 1.00 32.11 C ATOM 652 CE2 PHE A 196 1.054 15.177 3.603 1.00 32.03 C ATOM 653 CZ PHE A 196 0.301 15.662 4.651 1.00 31.99 C ATOM 654 HA PHE A 196 -0.020 17.431 0.045 1.00 0.00 H ATOM 655 HB2 PHE A 196 -2.321 15.551 0.708 1.00 0.00 H ATOM 656 HB3 PHE A 196 -0.749 15.003 0.080 1.00 0.00 H ATOM 657 HD2 PHE A 196 1.151 14.829 1.492 1.00 0.00 H ATOM 658 HE2 PHE A 196 2.046 14.766 3.789 1.00 0.00 H ATOM 659 HZ PHE A 196 0.697 15.635 5.666 1.00 0.00 H ATOM 660 HE1 PHE A 196 -1.553 16.566 5.240 1.00 0.00 H ATOM 661 HD1 PHE A 196 -2.448 16.628 2.944 1.00 0.00 H ATOM 662 H PHE A 196 -2.902 18.137 0.470 1.00 0.00 H ATOM 663 N ILE A 197 -0.502 16.397 -2.265 1.00 32.43 N ATOM 664 CA ILE A 197 -0.708 16.183 -3.695 1.00 32.46 C ATOM 665 C ILE A 197 -1.575 14.938 -3.884 1.00 32.51 C ATOM 666 O ILE A 197 -1.198 13.852 -3.455 1.00 32.48 O ATOM 667 CB ILE A 197 0.633 15.975 -4.458 1.00 32.49 C ATOM 668 CG1 ILE A 197 1.607 17.143 -4.234 1.00 32.40 C ATOM 669 CG2 ILE A 197 0.377 15.775 -5.952 1.00 32.45 C ATOM 670 CD1 ILE A 197 1.294 18.396 -5.020 1.00 32.62 C ATOM 671 HA ILE A 197 -1.191 17.072 -4.100 1.00 0.00 H ATOM 672 HB ILE A 197 1.099 15.076 -4.055 1.00 0.00 H ATOM 673 HG12 ILE A 197 1.593 17.396 -3.174 1.00 0.00 H ATOM 674 HG13 ILE A 197 2.606 16.809 -4.514 1.00 0.00 H ATOM 675 HD11 ILE A 197 1.317 18.170 -6.086 1.00 0.00 H ATOM 676 HD12 ILE A 197 0.303 18.758 -4.745 1.00 0.00 H ATOM 677 HD13 ILE A 197 2.037 19.161 -4.794 1.00 0.00 H ATOM 678 HG21 ILE A 197 -0.252 14.897 -6.097 1.00 0.00 H ATOM 679 HG22 ILE A 197 -0.126 16.654 -6.354 1.00 0.00 H ATOM 680 HG23 ILE A 197 1.327 15.631 -6.466 1.00 0.00 H ATOM 681 H ILE A 197 0.392 16.085 -1.834 1.00 0.00 H ATOM 682 N SER A 198 -2.729 15.107 -4.528 1.00 32.64 N ATOM 683 CA SER A 198 -3.662 14.005 -4.789 1.00 32.66 C ATOM 684 C SER A 198 -3.154 13.108 -5.902 1.00 32.73 C ATOM 685 O SER A 198 -2.960 11.906 -5.709 1.00 32.83 O ATOM 686 CB SER A 198 -5.039 14.541 -5.194 1.00 32.78 C ATOM 687 OG SER A 198 -5.931 14.567 -4.102 1.00 33.07 O ATOM 688 HA SER A 198 -3.743 13.431 -3.866 1.00 0.00 H ATOM 689 HB2 SER A 198 -5.453 13.900 -5.973 1.00 0.00 H ATOM 690 HB3 SER A 198 -4.924 15.554 -5.581 1.00 0.00 H ATOM 691 HG SER A 198 -6.807 14.918 -4.401 1.00 0.00 H ATOM 692 H SER A 198 -2.979 16.060 -4.860 1.00 0.00 H ATOM 693 N ARG A 199 -2.973 13.700 -7.079 1.00 32.72 N ATOM 694 CA ARG A 199 -2.466 12.977 -8.236 1.00 32.64 C ATOM 695 C ARG A 199 -1.963 13.922 -9.322 1.00 32.46 C ATOM 696 O ARG A 199 -2.243 15.120 -9.302 1.00 32.28 O ATOM 697 CB ARG A 199 -3.533 12.027 -8.796 1.00 32.81 C ATOM 698 CG ARG A 199 -4.857 12.677 -9.186 1.00 32.96 C ATOM 699 CD ARG A 199 -5.864 11.606 -9.607 1.00 32.99 C ATOM 700 NE ARG A 199 -6.888 12.114 -10.522 1.00 33.23 N ATOM 701 CZ ARG A 199 -7.957 12.825 -10.162 1.00 33.42 C ATOM 702 NH1 ARG A 199 -8.169 13.146 -8.890 1.00 33.32 N ATOM 703 NH2 ARG A 199 -8.824 13.224 -11.088 1.00 33.40 N ATOM 704 HA ARG A 199 -1.615 12.384 -7.900 1.00 0.00 H ATOM 705 HB2 ARG A 199 -3.121 11.546 -9.683 1.00 0.00 H ATOM 706 HB3 ARG A 199 -3.741 11.272 -8.038 1.00 0.00 H ATOM 707 HG2 ARG A 199 -5.253 13.229 -8.334 1.00 0.00 H ATOM 708 HG3 ARG A 199 -4.691 13.363 -10.017 1.00 0.00 H ATOM 709 HD2 ARG A 199 -6.356 11.220 -8.714 1.00 0.00 H ATOM 710 HD3 ARG A 199 -5.326 10.797 -10.102 1.00 0.00 H ATOM 711 HE ARG A 199 -6.772 11.903 -11.534 1.00 0.00 H ATOM 712 HH12 ARG A 199 -9.008 13.701 -8.627 1.00 0.00 H ATOM 713 HH11 ARG A 199 -7.496 12.842 -8.158 1.00 0.00 H ATOM 714 HH22 ARG A 199 -9.660 13.779 -10.813 1.00 0.00 H ATOM 715 HH21 ARG A 199 -8.666 12.981 -12.087 1.00 0.00 H ATOM 716 H ARG A 199 -3.201 14.710 -7.176 1.00 0.00 H ATOM 717 N LEU A 200 -1.206 13.360 -10.260 1.00 32.36 N ATOM 718 CA LEU A 200 -0.608 14.115 -11.352 1.00 32.29 C ATOM 719 C LEU A 200 -1.274 13.711 -12.660 1.00 32.12 C ATOM 720 O LEU A 200 -1.304 12.531 -13.007 1.00 32.19 O ATOM 721 CB LEU A 200 0.895 13.828 -11.434 1.00 32.43 C ATOM 722 CG LEU A 200 1.713 13.932 -10.140 1.00 32.75 C ATOM 723 CD1 LEU A 200 3.090 13.302 -10.329 1.00 33.23 C ATOM 724 CD2 LEU A 200 1.845 15.371 -9.681 1.00 33.00 C ATOM 725 HA LEU A 200 -0.754 15.180 -11.173 1.00 0.00 H ATOM 726 HB2 LEU A 200 1.013 12.813 -11.813 1.00 0.00 H ATOM 727 HB3 LEU A 200 1.323 14.533 -12.147 1.00 0.00 H ATOM 728 HG LEU A 200 1.180 13.384 -9.363 1.00 0.00 H ATOM 729 HD21 LEU A 200 2.346 15.953 -10.454 1.00 0.00 H ATOM 730 HD22 LEU A 200 0.853 15.785 -9.498 1.00 0.00 H ATOM 731 HD23 LEU A 200 2.430 15.406 -8.762 1.00 0.00 H ATOM 732 HD11 LEU A 200 2.974 12.251 -10.593 1.00 0.00 H ATOM 733 HD12 LEU A 200 3.620 13.822 -11.127 1.00 0.00 H ATOM 734 HD13 LEU A 200 3.656 13.385 -9.401 1.00 0.00 H ATOM 735 H LEU A 200 -1.033 12.336 -10.211 1.00 0.00 H ATOM 736 N VAL A 201 -1.799 14.695 -13.385 1.00 31.90 N ATOM 737 CA VAL A 201 -2.467 14.445 -14.656 1.00 31.74 C ATOM 738 C VAL A 201 -1.414 14.179 -15.739 1.00 31.60 C ATOM 739 O VAL A 201 -0.467 14.956 -15.875 1.00 31.67 O ATOM 740 CB VAL A 201 -3.359 15.646 -15.073 1.00 31.74 C ATOM 741 CG1 VAL A 201 -4.028 15.391 -16.428 1.00 31.75 C ATOM 742 CG2 VAL A 201 -4.411 15.934 -14.000 1.00 31.70 C ATOM 743 HA VAL A 201 -3.111 13.574 -14.540 1.00 0.00 H ATOM 744 HB VAL A 201 -2.718 16.522 -15.173 1.00 0.00 H ATOM 745 HG11 VAL A 201 -3.261 15.245 -17.189 1.00 0.00 H ATOM 746 HG12 VAL A 201 -4.651 14.499 -16.362 1.00 0.00 H ATOM 747 HG13 VAL A 201 -4.646 16.249 -16.694 1.00 0.00 H ATOM 748 HG21 VAL A 201 -5.041 15.055 -13.866 1.00 0.00 H ATOM 749 HG22 VAL A 201 -3.913 16.173 -13.060 1.00 0.00 H ATOM 750 HG23 VAL A 201 -5.025 16.779 -14.312 1.00 0.00 H ATOM 751 H VAL A 201 -1.731 15.672 -13.034 1.00 0.00 H ATOM 752 N PRO A 202 -1.556 13.063 -16.488 1.00 31.43 N ATOM 753 CA PRO A 202 -0.700 12.786 -17.646 1.00 31.30 C ATOM 754 C PRO A 202 -0.672 13.922 -18.669 1.00 31.20 C ATOM 755 O PRO A 202 -1.727 14.390 -19.099 1.00 31.19 O ATOM 756 CB PRO A 202 -1.336 11.536 -18.260 1.00 31.25 C ATOM 757 CG PRO A 202 -2.017 10.872 -17.133 1.00 31.29 C ATOM 758 CD PRO A 202 -2.516 11.967 -16.253 1.00 31.40 C ATOM 759 HA PRO A 202 0.341 12.663 -17.348 1.00 0.00 H ATOM 760 HD3 PRO A 202 -3.525 12.265 -16.536 1.00 0.00 H ATOM 761 HD2 PRO A 202 -2.509 11.660 -15.207 1.00 0.00 H ATOM 762 HG3 PRO A 202 -1.318 10.237 -16.589 1.00 0.00 H ATOM 763 HG2 PRO A 202 -2.849 10.268 -17.495 1.00 0.00 H ATOM 764 HB2 PRO A 202 -2.052 11.809 -19.035 1.00 0.00 H ATOM 765 HB3 PRO A 202 -0.572 10.885 -18.686 1.00 0.00 H ATOM 766 N GLY A 203 0.531 14.358 -19.040 1.00 31.07 N ATOM 767 CA GLY A 203 0.707 15.423 -20.027 1.00 30.97 C ATOM 768 C GLY A 203 0.934 16.796 -19.418 1.00 30.89 C ATOM 769 O GLY A 203 1.572 17.651 -20.036 1.00 31.01 O ATOM 770 HA3 GLY A 203 -0.187 15.467 -20.648 1.00 0.00 H ATOM 771 HA2 GLY A 203 1.568 15.176 -20.648 1.00 0.00 H ATOM 772 H GLY A 203 1.375 13.926 -18.613 1.00 0.00 H ATOM 773 N GLY A 204 0.409 17.013 -18.212 1.00 30.72 N ATOM 774 CA GLY A 204 0.554 18.290 -17.512 1.00 30.57 C ATOM 775 C GLY A 204 1.974 18.556 -17.047 1.00 30.46 C ATOM 776 O GLY A 204 2.782 17.632 -16.928 1.00 30.55 O ATOM 777 HA3 GLY A 204 -0.101 18.285 -16.641 1.00 0.00 H ATOM 778 HA2 GLY A 204 0.254 19.092 -18.187 1.00 0.00 H ATOM 779 H GLY A 204 -0.123 16.247 -17.752 1.00 0.00 H ATOM 780 N LEU A 205 2.269 19.827 -16.778 1.00 30.28 N ATOM 781 CA LEU A 205 3.618 20.260 -16.398 1.00 30.10 C ATOM 782 C LEU A 205 4.101 19.628 -15.097 1.00 29.88 C ATOM 783 O LEU A 205 5.288 19.347 -14.948 1.00 29.75 O ATOM 784 CB LEU A 205 3.676 21.786 -16.263 1.00 30.07 C ATOM 785 CG LEU A 205 3.438 22.606 -17.533 1.00 29.96 C ATOM 786 CD1 LEU A 205 3.416 24.088 -17.196 1.00 29.90 C ATOM 787 CD2 LEU A 205 4.495 22.309 -18.585 1.00 29.96 C ATOM 788 HA LEU A 205 4.280 19.925 -17.197 1.00 0.00 H ATOM 789 HB2 LEU A 205 2.921 22.081 -15.535 1.00 0.00 H ATOM 790 HB3 LEU A 205 4.665 22.045 -15.884 1.00 0.00 H ATOM 791 HG LEU A 205 2.471 22.324 -17.949 1.00 0.00 H ATOM 792 HD21 LEU A 205 5.480 22.558 -18.189 1.00 0.00 H ATOM 793 HD22 LEU A 205 4.462 21.250 -18.842 1.00 0.00 H ATOM 794 HD23 LEU A 205 4.298 22.907 -19.475 1.00 0.00 H ATOM 795 HD11 LEU A 205 2.614 24.286 -16.484 1.00 0.00 H ATOM 796 HD12 LEU A 205 4.372 24.374 -16.757 1.00 0.00 H ATOM 797 HD13 LEU A 205 3.246 24.664 -18.106 1.00 0.00 H ATOM 798 H LEU A 205 1.514 20.539 -16.840 1.00 0.00 H ATOM 799 N ALA A 206 3.180 19.416 -14.161 1.00 29.81 N ATOM 800 CA ALA A 206 3.511 18.835 -12.862 1.00 29.81 C ATOM 801 C ALA A 206 4.180 17.475 -13.026 1.00 29.80 C ATOM 802 O ALA A 206 5.219 17.207 -12.421 1.00 29.77 O ATOM 803 CB ALA A 206 2.264 18.709 -12.011 1.00 29.78 C ATOM 804 HA ALA A 206 4.214 19.500 -12.361 1.00 0.00 H ATOM 805 HB1 ALA A 206 1.828 19.696 -11.860 1.00 0.00 H ATOM 806 HB2 ALA A 206 1.544 18.066 -12.517 1.00 0.00 H ATOM 807 HB3 ALA A 206 2.526 18.275 -11.046 1.00 0.00 H ATOM 808 H ALA A 206 2.192 19.672 -14.360 1.00 0.00 H ATOM 809 N GLU A 207 3.578 16.623 -13.849 1.00 29.85 N ATOM 810 CA GLU A 207 4.164 15.327 -14.171 1.00 29.86 C ATOM 811 C GLU A 207 5.514 15.482 -14.872 1.00 29.84 C ATOM 812 O GLU A 207 6.455 14.755 -14.569 1.00 29.86 O ATOM 813 CB GLU A 207 3.214 14.513 -15.053 1.00 29.86 C ATOM 814 CG GLU A 207 3.822 13.213 -15.576 1.00 29.94 C ATOM 815 CD GLU A 207 2.807 12.315 -16.255 1.00 30.00 C ATOM 816 OE1 GLU A 207 3.062 11.894 -17.407 1.00 29.98 O ATOM 817 OE2 GLU A 207 1.760 12.028 -15.635 1.00 30.25 O ATOM 818 HA GLU A 207 4.325 14.798 -13.232 1.00 0.00 H ATOM 819 HB2 GLU A 207 2.327 14.268 -14.469 1.00 0.00 H ATOM 820 HB3 GLU A 207 2.927 15.126 -15.907 1.00 0.00 H ATOM 821 HG2 GLU A 207 4.604 13.459 -16.295 1.00 0.00 H ATOM 822 HG3 GLU A 207 4.259 12.671 -14.737 1.00 0.00 H ATOM 823 H GLU A 207 2.666 16.887 -14.274 1.00 0.00 H ATOM 824 N SER A 208 5.599 16.436 -15.798 1.00 29.84 N ATOM 825 CA SER A 208 6.796 16.630 -16.621 1.00 29.88 C ATOM 826 C SER A 208 8.066 16.978 -15.838 1.00 29.91 C ATOM 827 O SER A 208 9.168 16.794 -16.346 1.00 29.90 O ATOM 828 CB SER A 208 6.547 17.719 -17.665 1.00 29.83 C ATOM 829 OG SER A 208 6.640 19.008 -17.087 1.00 30.07 O ATOM 830 HA SER A 208 6.977 15.662 -17.089 1.00 0.00 H ATOM 831 HB2 SER A 208 5.550 17.588 -18.086 1.00 0.00 H ATOM 832 HB3 SER A 208 7.290 17.629 -18.458 1.00 0.00 H ATOM 833 HG SER A 208 5.964 19.096 -16.369 1.00 0.00 H ATOM 834 H SER A 208 4.785 17.067 -15.942 1.00 0.00 H ATOM 835 N THR A 209 7.921 17.497 -14.622 1.00 30.10 N ATOM 836 CA THR A 209 9.085 17.837 -13.802 1.00 30.27 C ATOM 837 C THR A 209 9.811 16.589 -13.317 1.00 30.38 C ATOM 838 O THR A 209 11.034 16.498 -13.414 1.00 30.31 O ATOM 839 CB THR A 209 8.704 18.694 -12.573 1.00 30.21 C ATOM 840 OG1 THR A 209 7.768 17.984 -11.750 1.00 30.23 O ATOM 841 CG2 THR A 209 8.099 20.018 -13.010 1.00 30.35 C ATOM 842 HA THR A 209 9.744 18.417 -14.448 1.00 0.00 H ATOM 843 HB THR A 209 9.609 18.895 -12.000 1.00 0.00 H ATOM 844 HG1 THR A 209 6.952 17.786 -12.275 1.00 0.00 H ATOM 845 HG23 THR A 209 8.813 20.554 -13.635 1.00 0.00 H ATOM 846 HG21 THR A 209 7.188 19.830 -13.577 1.00 0.00 H ATOM 847 HG22 THR A 209 7.864 20.617 -12.130 1.00 0.00 H ATOM 848 H THR A 209 6.965 17.664 -14.248 1.00 0.00 H ATOM 849 N GLY A 210 9.048 15.632 -12.795 1.00 30.65 N ATOM 850 CA GLY A 210 9.612 14.420 -12.206 1.00 30.89 C ATOM 851 C GLY A 210 10.097 14.642 -10.784 1.00 31.07 C ATOM 852 O GLY A 210 10.842 13.826 -10.244 1.00 31.15 O ATOM 853 HA3 GLY A 210 10.453 14.092 -12.816 1.00 0.00 H ATOM 854 HA2 GLY A 210 8.846 13.644 -12.198 1.00 0.00 H ATOM 855 H GLY A 210 8.015 15.751 -12.807 1.00 0.00 H ATOM 856 N LEU A 211 9.672 15.751 -10.184 1.00 31.32 N ATOM 857 CA LEU A 211 10.047 16.109 -8.817 1.00 31.56 C ATOM 858 C LEU A 211 8.825 16.083 -7.892 1.00 31.82 C ATOM 859 O LEU A 211 8.929 15.688 -6.724 1.00 31.85 O ATOM 860 CB LEU A 211 10.688 17.497 -8.800 1.00 31.64 C ATOM 861 CG LEU A 211 11.822 17.753 -9.797 1.00 31.54 C ATOM 862 CD1 LEU A 211 12.248 19.212 -9.727 1.00 31.66 C ATOM 863 CD2 LEU A 211 13.003 16.833 -9.539 1.00 31.58 C ATOM 864 HA LEU A 211 10.767 15.376 -8.453 1.00 0.00 H ATOM 865 HB2 LEU A 211 9.902 18.225 -9.002 1.00 0.00 H ATOM 866 HB3 LEU A 211 11.086 17.663 -7.799 1.00 0.00 H ATOM 867 HG LEU A 211 11.455 17.538 -10.801 1.00 0.00 H ATOM 868 HD21 LEU A 211 13.382 17.004 -8.531 1.00 0.00 H ATOM 869 HD22 LEU A 211 12.682 15.796 -9.637 1.00 0.00 H ATOM 870 HD23 LEU A 211 13.790 17.041 -10.264 1.00 0.00 H ATOM 871 HD11 LEU A 211 11.399 19.849 -9.974 1.00 0.00 H ATOM 872 HD12 LEU A 211 12.594 19.440 -8.719 1.00 0.00 H ATOM 873 HD13 LEU A 211 13.055 19.388 -10.438 1.00 0.00 H ATOM 874 H LEU A 211 9.045 16.392 -10.711 1.00 0.00 H ATOM 875 N LEU A 212 7.682 16.530 -8.419 1.00 32.05 N ATOM 876 CA LEU A 212 6.387 16.386 -7.751 1.00 32.08 C ATOM 877 C LEU A 212 5.914 14.934 -7.804 1.00 32.09 C ATOM 878 O LEU A 212 6.043 14.271 -8.833 1.00 32.11 O ATOM 879 CB LEU A 212 5.332 17.284 -8.409 1.00 32.22 C ATOM 880 CG LEU A 212 5.385 18.775 -8.066 1.00 32.76 C ATOM 881 CD1 LEU A 212 4.408 19.554 -8.935 1.00 33.19 C ATOM 882 CD2 LEU A 212 5.089 19.011 -6.587 1.00 33.04 C ATOM 883 HA LEU A 212 6.515 16.687 -6.711 1.00 0.00 H ATOM 884 HB2 LEU A 212 5.445 17.189 -9.489 1.00 0.00 H ATOM 885 HB3 LEU A 212 4.351 16.912 -8.114 1.00 0.00 H ATOM 886 HG LEU A 212 6.395 19.132 -8.268 1.00 0.00 H ATOM 887 HD21 LEU A 212 4.093 18.634 -6.352 1.00 0.00 H ATOM 888 HD22 LEU A 212 5.829 18.487 -5.982 1.00 0.00 H ATOM 889 HD23 LEU A 212 5.134 20.079 -6.375 1.00 0.00 H ATOM 890 HD11 LEU A 212 4.671 19.421 -9.984 1.00 0.00 H ATOM 891 HD12 LEU A 212 3.397 19.185 -8.763 1.00 0.00 H ATOM 892 HD13 LEU A 212 4.459 20.612 -8.678 1.00 0.00 H ATOM 893 H LEU A 212 7.713 17.002 -9.345 1.00 0.00 H ATOM 894 N ALA A 213 5.362 14.460 -6.689 1.00 32.11 N ATOM 895 CA ALA A 213 4.879 13.086 -6.563 1.00 32.09 C ATOM 896 C ALA A 213 3.650 13.029 -5.662 1.00 32.08 C ATOM 897 O ALA A 213 3.392 13.950 -4.883 1.00 32.20 O ATOM 898 CB ALA A 213 5.973 12.200 -6.007 1.00 32.14 C ATOM 899 HA ALA A 213 4.598 12.726 -7.553 1.00 0.00 H ATOM 900 HB1 ALA A 213 6.831 12.218 -6.679 1.00 0.00 H ATOM 901 HB2 ALA A 213 6.272 12.567 -5.025 1.00 0.00 H ATOM 902 HB3 ALA A 213 5.602 11.179 -5.918 1.00 0.00 H ATOM 903 H ALA A 213 5.270 15.096 -5.871 1.00 0.00 H ATOM 904 N VAL A 214 2.902 11.937 -5.763 1.00 32.03 N ATOM 905 CA VAL A 214 1.672 11.785 -4.998 1.00 32.08 C ATOM 906 C VAL A 214 1.992 11.653 -3.502 1.00 32.16 C ATOM 907 O VAL A 214 2.973 11.014 -3.124 1.00 32.19 O ATOM 908 CB VAL A 214 0.848 10.576 -5.497 1.00 32.02 C ATOM 909 CG1 VAL A 214 -0.429 10.413 -4.679 1.00 31.94 C ATOM 910 CG2 VAL A 214 0.529 10.734 -6.984 1.00 31.97 C ATOM 911 HA VAL A 214 1.064 12.678 -5.146 1.00 0.00 H ATOM 912 HB VAL A 214 1.443 9.672 -5.365 1.00 0.00 H ATOM 913 HG11 VAL A 214 -0.171 10.254 -3.632 1.00 0.00 H ATOM 914 HG12 VAL A 214 -1.036 11.314 -4.772 1.00 0.00 H ATOM 915 HG13 VAL A 214 -0.990 9.556 -5.051 1.00 0.00 H ATOM 916 HG21 VAL A 214 -0.047 11.647 -7.136 1.00 0.00 H ATOM 917 HG22 VAL A 214 1.459 10.791 -7.550 1.00 0.00 H ATOM 918 HG23 VAL A 214 -0.052 9.876 -7.323 1.00 0.00 H ATOM 919 H VAL A 214 3.201 11.173 -6.402 1.00 0.00 H ATOM 920 N ASN A 215 1.162 12.289 -2.673 1.00 32.27 N ATOM 921 CA ASN A 215 1.325 12.335 -1.209 1.00 32.31 C ATOM 922 C ASN A 215 2.511 13.173 -0.719 1.00 32.40 C ATOM 923 O ASN A 215 2.978 12.989 0.410 1.00 32.54 O ATOM 924 CB ASN A 215 1.385 10.927 -0.599 1.00 32.39 C ATOM 925 CG ASN A 215 0.190 10.070 -0.978 1.00 32.82 C ATOM 926 OD1 ASN A 215 0.217 8.849 -0.817 1.00 33.16 O ATOM 927 ND2 ASN A 215 -0.867 10.704 -1.482 1.00 33.62 N ATOM 928 HA ASN A 215 0.429 12.847 -0.857 1.00 0.00 H ATOM 929 HB2 ASN A 215 2.292 10.434 -0.948 1.00 0.00 H ATOM 930 HB3 ASN A 215 1.418 11.019 0.487 1.00 0.00 H ATOM 931 HD22 ASN A 215 -0.846 11.737 -1.601 1.00 0.00 H ATOM 932 HD21 ASN A 215 -1.714 10.166 -1.757 1.00 0.00 H ATOM 933 H ASN A 215 0.347 12.785 -3.087 1.00 0.00 H ATOM 934 N ASP A 216 2.981 14.099 -1.559 1.00 32.36 N ATOM 935 CA ASP A 216 3.934 15.129 -1.129 1.00 32.14 C ATOM 936 C ASP A 216 3.153 16.240 -0.439 1.00 31.97 C ATOM 937 O ASP A 216 2.027 16.545 -0.839 1.00 31.89 O ATOM 938 CB ASP A 216 4.716 15.694 -2.321 1.00 32.20 C ATOM 939 CG ASP A 216 5.712 14.696 -2.900 1.00 32.57 C ATOM 940 OD1 ASP A 216 5.734 13.523 -2.462 1.00 33.00 O ATOM 941 OD2 ASP A 216 6.482 15.089 -3.799 1.00 33.10 O ATOM 942 HA ASP A 216 4.658 14.689 -0.443 1.00 0.00 H ATOM 943 HB2 ASP A 216 4.008 15.973 -3.102 1.00 0.00 H ATOM 944 HB3 ASP A 216 5.260 16.579 -1.993 1.00 0.00 H ATOM 945 H ASP A 216 2.662 14.090 -2.549 1.00 0.00 H ATOM 946 N GLU A 217 3.743 16.834 0.598 1.00 31.70 N ATOM 947 CA GLU A 217 3.058 17.852 1.395 1.00 31.46 C ATOM 948 C GLU A 217 3.395 19.242 0.888 1.00 31.17 C ATOM 949 O GLU A 217 4.558 19.570 0.699 1.00 31.22 O ATOM 950 CB GLU A 217 3.449 17.744 2.870 1.00 31.38 C ATOM 951 CG GLU A 217 2.677 18.706 3.765 1.00 31.80 C ATOM 952 CD GLU A 217 3.034 18.588 5.238 1.00 31.95 C ATOM 953 OE1 GLU A 217 3.856 17.714 5.603 1.00 32.39 O ATOM 954 OE2 GLU A 217 2.483 19.386 6.032 1.00 32.28 O ATOM 955 HA GLU A 217 1.986 17.682 1.298 1.00 0.00 H ATOM 956 HB2 GLU A 217 3.256 16.726 3.207 1.00 0.00 H ATOM 957 HB3 GLU A 217 4.513 17.961 2.964 1.00 0.00 H ATOM 958 HG2 GLU A 217 2.889 19.725 3.440 1.00 0.00 H ATOM 959 HG3 GLU A 217 1.612 18.503 3.651 1.00 0.00 H ATOM 960 H GLU A 217 4.717 16.567 0.847 1.00 0.00 H ATOM 961 N VAL A 218 2.380 20.068 0.689 1.00 30.84 N ATOM 962 CA VAL A 218 2.600 21.428 0.235 1.00 30.64 C ATOM 963 C VAL A 218 3.003 22.255 1.440 1.00 30.45 C ATOM 964 O VAL A 218 2.248 22.345 2.406 1.00 30.41 O ATOM 965 CB VAL A 218 1.329 22.011 -0.408 1.00 30.69 C ATOM 966 CG1 VAL A 218 1.528 23.472 -0.783 1.00 30.47 C ATOM 967 CG2 VAL A 218 0.930 21.181 -1.633 1.00 30.86 C ATOM 968 HA VAL A 218 3.382 21.443 -0.524 1.00 0.00 H ATOM 969 HB VAL A 218 0.520 21.965 0.321 1.00 0.00 H ATOM 970 HG11 VAL A 218 1.762 24.047 0.113 1.00 0.00 H ATOM 971 HG12 VAL A 218 2.350 23.554 -1.495 1.00 0.00 H ATOM 972 HG13 VAL A 218 0.614 23.857 -1.235 1.00 0.00 H ATOM 973 HG21 VAL A 218 1.740 21.198 -2.362 1.00 0.00 H ATOM 974 HG22 VAL A 218 0.737 20.153 -1.327 1.00 0.00 H ATOM 975 HG23 VAL A 218 0.030 21.603 -2.079 1.00 0.00 H ATOM 976 H VAL A 218 1.409 19.737 0.861 1.00 0.00 H ATOM 977 N ILE A 219 4.195 22.843 1.391 1.00 30.25 N ATOM 978 CA ILE A 219 4.694 23.659 2.494 1.00 30.16 C ATOM 979 C ILE A 219 4.369 25.129 2.247 1.00 30.07 C ATOM 980 O ILE A 219 3.758 25.787 3.092 1.00 29.93 O ATOM 981 CB ILE A 219 6.210 23.466 2.702 1.00 30.02 C ATOM 982 CG1 ILE A 219 6.529 21.983 2.921 1.00 30.08 C ATOM 983 CG2 ILE A 219 6.703 24.300 3.884 1.00 30.08 C ATOM 984 CD1 ILE A 219 5.760 21.334 4.076 1.00 29.86 C ATOM 985 HA ILE A 219 4.195 23.333 3.407 1.00 0.00 H ATOM 986 HB ILE A 219 6.729 23.806 1.806 1.00 0.00 H ATOM 987 HG12 ILE A 219 6.288 21.443 2.005 1.00 0.00 H ATOM 988 HG13 ILE A 219 7.595 21.890 3.126 1.00 0.00 H ATOM 989 HD11 ILE A 219 5.998 21.852 5.005 1.00 0.00 H ATOM 990 HD12 ILE A 219 4.690 21.404 3.883 1.00 0.00 H ATOM 991 HD13 ILE A 219 6.047 20.286 4.159 1.00 0.00 H ATOM 992 HG21 ILE A 219 6.504 25.354 3.691 1.00 0.00 H ATOM 993 HG22 ILE A 219 6.180 23.990 4.789 1.00 0.00 H ATOM 994 HG23 ILE A 219 7.775 24.148 4.012 1.00 0.00 H ATOM 995 H ILE A 219 4.787 22.718 0.545 1.00 0.00 H ATOM 996 N GLU A 220 4.776 25.641 1.091 1.00 30.13 N ATOM 997 CA GLU A 220 4.403 26.995 0.687 1.00 30.21 C ATOM 998 C GLU A 220 4.133 27.110 -0.813 1.00 30.14 C ATOM 999 O GLU A 220 4.521 26.251 -1.608 1.00 30.12 O ATOM 1000 CB GLU A 220 5.459 28.020 1.128 1.00 30.23 C ATOM 1001 CG GLU A 220 6.876 27.689 0.747 1.00 30.67 C ATOM 1002 CD GLU A 220 7.872 28.730 1.230 1.00 30.94 C ATOM 1003 OE1 GLU A 220 8.551 29.343 0.376 1.00 32.16 O ATOM 1004 OE2 GLU A 220 7.984 28.931 2.462 1.00 31.73 O ATOM 1005 HA GLU A 220 3.467 27.220 1.198 1.00 0.00 H ATOM 1006 HB2 GLU A 220 5.205 28.980 0.679 1.00 0.00 H ATOM 1007 HB3 GLU A 220 5.413 28.105 2.214 1.00 0.00 H ATOM 1008 HG2 GLU A 220 7.139 26.726 1.184 1.00 0.00 H ATOM 1009 HG3 GLU A 220 6.939 27.623 -0.339 1.00 0.00 H ATOM 1010 H GLU A 220 5.372 25.067 0.461 1.00 0.00 H ATOM 1011 N VAL A 221 3.435 28.184 -1.171 1.00 30.11 N ATOM 1012 CA VAL A 221 3.134 28.520 -2.550 1.00 29.82 C ATOM 1013 C VAL A 221 3.698 29.913 -2.797 1.00 29.78 C ATOM 1014 O VAL A 221 3.223 30.890 -2.227 1.00 30.04 O ATOM 1015 CB VAL A 221 1.606 28.511 -2.802 1.00 29.88 C ATOM 1016 CG1 VAL A 221 1.272 29.022 -4.204 1.00 29.84 C ATOM 1017 CG2 VAL A 221 1.041 27.106 -2.588 1.00 29.86 C ATOM 1018 HA VAL A 221 3.576 27.788 -3.226 1.00 0.00 H ATOM 1019 HB VAL A 221 1.140 29.187 -2.085 1.00 0.00 H ATOM 1020 HG11 VAL A 221 1.636 30.043 -4.313 1.00 0.00 H ATOM 1021 HG12 VAL A 221 1.751 28.383 -4.946 1.00 0.00 H ATOM 1022 HG13 VAL A 221 0.192 29.003 -4.349 1.00 0.00 H ATOM 1023 HG21 VAL A 221 1.520 26.414 -3.280 1.00 0.00 H ATOM 1024 HG22 VAL A 221 1.235 26.790 -1.563 1.00 0.00 H ATOM 1025 HG23 VAL A 221 -0.034 27.117 -2.769 1.00 0.00 H ATOM 1026 H VAL A 221 3.086 28.817 -0.423 1.00 0.00 H ATOM 1027 N ASN A 222 4.728 29.993 -3.630 1.00 29.60 N ATOM 1028 CA ASN A 222 5.363 31.263 -3.959 1.00 29.32 C ATOM 1029 C ASN A 222 5.691 32.105 -2.732 1.00 29.26 C ATOM 1030 O ASN A 222 5.355 33.288 -2.672 1.00 29.28 O ATOM 1031 CB ASN A 222 4.493 32.042 -4.943 1.00 29.15 C ATOM 1032 CG ASN A 222 4.417 31.370 -6.292 1.00 28.72 C ATOM 1033 OD1 ASN A 222 3.476 30.631 -6.575 1.00 27.87 O ATOM 1034 ND2 ASN A 222 5.428 31.598 -7.124 1.00 27.47 N ATOM 1035 HA ASN A 222 6.320 31.031 -4.427 1.00 0.00 H ATOM 1036 HB2 ASN A 222 3.486 32.123 -4.534 1.00 0.00 H ATOM 1037 HB3 ASN A 222 4.914 33.039 -5.071 1.00 0.00 H ATOM 1038 HD22 ASN A 222 6.202 32.232 -6.840 1.00 0.00 H ATOM 1039 HD21 ASN A 222 5.445 31.143 -8.059 1.00 0.00 H ATOM 1040 H ASN A 222 5.094 29.121 -4.062 1.00 0.00 H ATOM 1041 N GLY A 223 6.348 31.476 -1.757 1.00 29.21 N ATOM 1042 CA GLY A 223 6.860 32.171 -0.578 1.00 29.23 C ATOM 1043 C GLY A 223 5.928 32.214 0.622 1.00 29.16 C ATOM 1044 O GLY A 223 6.341 32.606 1.714 1.00 29.01 O ATOM 1045 HA3 GLY A 223 7.083 33.198 -0.866 1.00 0.00 H ATOM 1046 HA2 GLY A 223 7.780 31.674 -0.270 1.00 0.00 H ATOM 1047 H GLY A 223 6.502 30.451 -1.839 1.00 0.00 H ATOM 1048 N ILE A 224 4.675 31.816 0.426 1.00 29.25 N ATOM 1049 CA ILE A 224 3.668 31.911 1.469 1.00 29.49 C ATOM 1050 C ILE A 224 3.320 30.521 1.989 1.00 29.81 C ATOM 1051 O ILE A 224 2.787 29.688 1.254 1.00 29.84 O ATOM 1052 CB ILE A 224 2.381 32.604 0.958 1.00 29.30 C ATOM 1053 CG1 ILE A 224 2.708 33.951 0.295 1.00 28.27 C ATOM 1054 CG2 ILE A 224 1.378 32.782 2.101 1.00 29.27 C ATOM 1055 CD1 ILE A 224 3.449 34.938 1.180 1.00 27.75 C ATOM 1056 HA ILE A 224 4.086 32.515 2.275 1.00 0.00 H ATOM 1057 HB ILE A 224 1.925 31.965 0.202 1.00 0.00 H ATOM 1058 HG12 ILE A 224 3.323 33.756 -0.583 1.00 0.00 H ATOM 1059 HG13 ILE A 224 1.770 34.412 -0.015 1.00 0.00 H ATOM 1060 HD11 ILE A 224 2.845 35.160 2.059 1.00 0.00 H ATOM 1061 HD12 ILE A 224 4.399 34.503 1.491 1.00 0.00 H ATOM 1062 HD13 ILE A 224 3.633 35.856 0.623 1.00 0.00 H ATOM 1063 HG21 ILE A 224 1.117 31.806 2.509 1.00 0.00 H ATOM 1064 HG22 ILE A 224 1.825 33.396 2.883 1.00 0.00 H ATOM 1065 HG23 ILE A 224 0.480 33.271 1.722 1.00 0.00 H ATOM 1066 H ILE A 224 4.408 31.426 -0.500 1.00 0.00 H ATOM 1067 N GLU A 225 3.633 30.292 3.261 1.00 30.25 N ATOM 1068 CA GLU A 225 3.347 29.033 3.943 1.00 30.68 C ATOM 1069 C GLU A 225 1.859 28.787 3.991 1.00 30.67 C ATOM 1070 O GLU A 225 1.092 29.708 4.245 1.00 30.93 O ATOM 1071 CB GLU A 225 3.910 29.070 5.368 1.00 30.73 C ATOM 1072 CG GLU A 225 5.434 28.953 5.408 1.00 31.46 C ATOM 1073 CD GLU A 225 6.103 29.890 6.408 1.00 31.89 C ATOM 1074 OE1 GLU A 225 5.682 31.067 6.504 1.00 33.75 O ATOM 1075 OE2 GLU A 225 7.074 29.452 7.075 1.00 33.49 O ATOM 1076 HA GLU A 225 3.821 28.223 3.389 1.00 0.00 H ATOM 1077 HB2 GLU A 225 3.621 30.013 5.832 1.00 0.00 H ATOM 1078 HB3 GLU A 225 3.482 28.242 5.933 1.00 0.00 H ATOM 1079 HG2 GLU A 225 5.692 27.928 5.673 1.00 0.00 H ATOM 1080 HG3 GLU A 225 5.821 29.179 4.414 1.00 0.00 H ATOM 1081 H GLU A 225 4.105 31.048 3.797 1.00 0.00 H ATOM 1082 N VAL A 226 1.457 27.544 3.745 1.00 30.87 N ATOM 1083 CA VAL A 226 0.037 27.196 3.678 1.00 31.11 C ATOM 1084 C VAL A 226 -0.503 26.629 4.990 1.00 31.26 C ATOM 1085 O VAL A 226 -1.686 26.295 5.077 1.00 31.47 O ATOM 1086 CB VAL A 226 -0.253 26.190 2.538 1.00 31.15 C ATOM 1087 CG1 VAL A 226 0.352 26.678 1.231 1.00 31.38 C ATOM 1088 CG2 VAL A 226 0.263 24.792 2.888 1.00 31.44 C ATOM 1089 HA VAL A 226 -0.478 28.135 3.477 1.00 0.00 H ATOM 1090 HB VAL A 226 -1.334 26.123 2.414 1.00 0.00 H ATOM 1091 HG11 VAL A 226 -0.080 27.644 0.970 1.00 0.00 H ATOM 1092 HG12 VAL A 226 1.431 26.781 1.348 1.00 0.00 H ATOM 1093 HG13 VAL A 226 0.138 25.958 0.442 1.00 0.00 H ATOM 1094 HG21 VAL A 226 1.340 24.834 3.050 1.00 0.00 H ATOM 1095 HG22 VAL A 226 -0.229 24.441 3.795 1.00 0.00 H ATOM 1096 HG23 VAL A 226 0.044 24.109 2.067 1.00 0.00 H ATOM 1097 H VAL A 226 2.169 26.801 3.597 1.00 0.00 H ATOM 1098 N ALA A 227 0.353 26.511 6.003 1.00 31.37 N ATOM 1099 CA ALA A 227 -0.080 26.023 7.308 1.00 31.43 C ATOM 1100 C ALA A 227 -1.155 26.946 7.865 1.00 31.48 C ATOM 1101 O ALA A 227 -0.998 28.171 7.857 1.00 31.61 O ATOM 1102 CB ALA A 227 1.095 25.941 8.269 1.00 31.61 C ATOM 1103 HA ALA A 227 -0.491 25.020 7.191 1.00 0.00 H ATOM 1104 HB1 ALA A 227 1.844 25.258 7.868 1.00 0.00 H ATOM 1105 HB2 ALA A 227 1.533 26.932 8.391 1.00 0.00 H ATOM 1106 HB3 ALA A 227 0.748 25.575 9.235 1.00 0.00 H ATOM 1107 H ALA A 227 1.350 26.772 5.861 1.00 0.00 H ATOM 1108 N GLY A 228 -2.249 26.349 8.331 1.00 31.48 N ATOM 1109 CA GLY A 228 -3.389 27.098 8.851 1.00 31.47 C ATOM 1110 C GLY A 228 -4.470 27.351 7.816 1.00 31.50 C ATOM 1111 O GLY A 228 -5.591 27.715 8.171 1.00 31.63 O ATOM 1112 HA3 GLY A 228 -3.031 28.060 9.219 1.00 0.00 H ATOM 1113 HA2 GLY A 228 -3.825 26.534 9.676 1.00 0.00 H ATOM 1114 H GLY A 228 -2.294 25.310 8.325 1.00 0.00 H ATOM 1115 N LYS A 229 -4.149 27.146 6.540 1.00 31.38 N ATOM 1116 CA LYS A 229 -5.079 27.450 5.458 1.00 31.43 C ATOM 1117 C LYS A 229 -5.892 26.242 5.004 1.00 31.36 C ATOM 1118 O LYS A 229 -5.403 25.114 5.017 1.00 31.45 O ATOM 1119 CB LYS A 229 -4.323 28.037 4.269 1.00 31.55 C ATOM 1120 CG LYS A 229 -3.620 29.336 4.603 1.00 31.54 C ATOM 1121 CD LYS A 229 -3.059 30.002 3.366 1.00 31.64 C ATOM 1122 CE LYS A 229 -2.602 31.420 3.670 1.00 31.97 C ATOM 1123 NZ LYS A 229 -3.746 32.272 4.125 1.00 32.84 N ATOM 1124 HA LYS A 229 -5.788 28.178 5.854 1.00 0.00 H ATOM 1125 HB2 LYS A 229 -3.578 27.313 3.938 1.00 0.00 H ATOM 1126 HB3 LYS A 229 -5.032 28.222 3.462 1.00 0.00 H ATOM 1127 HG2 LYS A 229 -4.332 30.012 5.076 1.00 0.00 H ATOM 1128 HG3 LYS A 229 -2.803 29.128 5.294 1.00 0.00 H ATOM 1129 HD2 LYS A 229 -2.209 29.423 3.004 1.00 0.00 H ATOM 1130 HD3 LYS A 229 -3.830 30.033 2.597 1.00 0.00 H ATOM 1131 HE2 LYS A 229 -2.170 31.856 2.769 1.00 0.00 H ATOM 1132 HE3 LYS A 229 -1.847 31.390 4.455 1.00 0.00 H ATOM 1133 HZ1 LYS A 229 -4.468 32.309 3.377 1.00 0.00 H ATOM 1134 HZ2 LYS A 229 -4.159 31.864 4.988 1.00 0.00 H ATOM 1135 HZ3 LYS A 229 -3.403 33.233 4.325 1.00 0.00 H ATOM 1136 H LYS A 229 -3.212 26.759 6.309 1.00 0.00 H ATOM 1137 N THR A 230 -7.134 26.508 4.600 1.00 31.31 N ATOM 1138 CA THR A 230 -8.045 25.502 4.056 1.00 31.25 C ATOM 1139 C THR A 230 -7.706 25.159 2.605 1.00 31.21 C ATOM 1140 O THR A 230 -6.934 25.860 1.951 1.00 31.24 O ATOM 1141 CB THR A 230 -9.515 25.992 4.097 1.00 31.25 C ATOM 1142 OG1 THR A 230 -9.710 27.029 3.128 1.00 31.19 O ATOM 1143 CG2 THR A 230 -9.885 26.517 5.487 1.00 31.08 C ATOM 1144 HA THR A 230 -7.927 24.617 4.681 1.00 0.00 H ATOM 1145 HB THR A 230 -10.160 25.144 3.865 1.00 0.00 H ATOM 1146 HG1 THR A 230 -10.650 27.337 3.160 1.00 0.00 H ATOM 1147 HG23 THR A 230 -9.736 25.727 6.224 1.00 0.00 H ATOM 1148 HG21 THR A 230 -9.251 27.369 5.733 1.00 0.00 H ATOM 1149 HG22 THR A 230 -10.930 26.827 5.491 1.00 0.00 H ATOM 1150 H THR A 230 -7.475 27.488 4.676 1.00 0.00 H ATOM 1151 N LEU A 231 -8.309 24.086 2.104 1.00 31.19 N ATOM 1152 CA LEU A 231 -8.020 23.596 0.758 1.00 31.25 C ATOM 1153 C LEU A 231 -8.493 24.563 -0.335 1.00 31.30 C ATOM 1154 O LEU A 231 -7.855 24.679 -1.385 1.00 31.33 O ATOM 1155 CB LEU A 231 -8.655 22.218 0.552 1.00 31.34 C ATOM 1156 CG LEU A 231 -8.285 21.469 -0.732 1.00 31.18 C ATOM 1157 CD1 LEU A 231 -6.809 21.112 -0.751 1.00 31.16 C ATOM 1158 CD2 LEU A 231 -9.132 20.218 -0.858 1.00 31.14 C ATOM 1159 HA LEU A 231 -6.936 23.519 0.671 1.00 0.00 H ATOM 1160 HB2 LEU A 231 -8.363 21.591 1.395 1.00 0.00 H ATOM 1161 HB3 LEU A 231 -9.737 22.350 0.556 1.00 0.00 H ATOM 1162 HG LEU A 231 -8.481 22.123 -1.582 1.00 0.00 H ATOM 1163 HD21 LEU A 231 -8.953 19.572 0.001 1.00 0.00 H ATOM 1164 HD22 LEU A 231 -10.185 20.496 -0.893 1.00 0.00 H ATOM 1165 HD23 LEU A 231 -8.864 19.690 -1.773 1.00 0.00 H ATOM 1166 HD11 LEU A 231 -6.215 22.024 -0.695 1.00 0.00 H ATOM 1167 HD12 LEU A 231 -6.580 20.475 0.103 1.00 0.00 H ATOM 1168 HD13 LEU A 231 -6.577 20.581 -1.674 1.00 0.00 H ATOM 1169 H LEU A 231 -9.007 23.580 2.687 1.00 0.00 H ATOM 1170 N ASP A 232 -9.609 25.248 -0.092 1.00 31.26 N ATOM 1171 CA ASP A 232 -10.114 26.246 -1.036 1.00 31.17 C ATOM 1172 C ASP A 232 -9.175 27.434 -1.134 1.00 30.92 C ATOM 1173 O ASP A 232 -9.038 28.033 -2.191 1.00 30.85 O ATOM 1174 CB ASP A 232 -11.498 26.746 -0.627 1.00 31.40 C ATOM 1175 CG ASP A 232 -12.574 25.721 -0.859 1.00 32.32 C ATOM 1176 OD1 ASP A 232 -12.607 24.724 -0.105 1.00 33.61 O ATOM 1177 OD2 ASP A 232 -13.391 25.919 -1.788 1.00 34.07 O ATOM 1178 HA ASP A 232 -10.180 25.756 -2.007 1.00 0.00 H ATOM 1179 HB2 ASP A 232 -11.479 26.999 0.433 1.00 0.00 H ATOM 1180 HB3 ASP A 232 -11.733 27.638 -1.208 1.00 0.00 H ATOM 1181 H ASP A 232 -10.133 25.070 0.788 1.00 0.00 H ATOM 1182 N GLN A 233 -8.548 27.781 -0.019 1.00 30.61 N ATOM 1183 CA GLN A 233 -7.612 28.887 0.006 1.00 30.50 C ATOM 1184 C GLN A 233 -6.349 28.528 -0.748 1.00 30.47 C ATOM 1185 O GLN A 233 -5.873 29.309 -1.568 1.00 30.54 O ATOM 1186 CB GLN A 233 -7.281 29.271 1.442 1.00 30.50 C ATOM 1187 CG GLN A 233 -8.454 29.932 2.161 1.00 30.57 C ATOM 1188 CD GLN A 233 -8.178 30.204 3.618 1.00 30.19 C ATOM 1189 OE1 GLN A 233 -8.698 31.158 4.193 1.00 30.63 O ATOM 1190 NE2 GLN A 233 -7.356 29.372 4.224 1.00 29.68 N ATOM 1191 HA GLN A 233 -8.076 29.743 -0.483 1.00 0.00 H ATOM 1192 HB2 GLN A 233 -7.000 28.370 1.988 1.00 0.00 H ATOM 1193 HB3 GLN A 233 -6.441 29.966 1.433 1.00 0.00 H ATOM 1194 HG2 GLN A 233 -8.675 30.878 1.667 1.00 0.00 H ATOM 1195 HG3 GLN A 233 -9.320 29.275 2.089 1.00 0.00 H ATOM 1196 HE22 GLN A 233 -6.939 28.578 3.698 1.00 0.00 H ATOM 1197 HE21 GLN A 233 -7.124 29.509 5.228 1.00 0.00 H ATOM 1198 H GLN A 233 -8.731 27.249 0.856 1.00 0.00 H ATOM 1199 N VAL A 234 -5.814 27.342 -0.482 1.00 30.40 N ATOM 1200 CA VAL A 234 -4.564 26.922 -1.113 1.00 30.43 C ATOM 1201 C VAL A 234 -4.744 26.741 -2.611 1.00 30.30 C ATOM 1202 O VAL A 234 -3.922 27.194 -3.392 1.00 30.18 O ATOM 1203 CB VAL A 234 -4.017 25.642 -0.472 1.00 30.29 C ATOM 1204 CG1 VAL A 234 -2.796 25.130 -1.233 1.00 30.34 C ATOM 1205 CG2 VAL A 234 -3.666 25.920 0.977 1.00 30.37 C ATOM 1206 HA VAL A 234 -3.832 27.714 -0.952 1.00 0.00 H ATOM 1207 HB VAL A 234 -4.782 24.867 -0.516 1.00 0.00 H ATOM 1208 HG11 VAL A 234 -3.076 24.914 -2.264 1.00 0.00 H ATOM 1209 HG12 VAL A 234 -2.015 25.891 -1.219 1.00 0.00 H ATOM 1210 HG13 VAL A 234 -2.428 24.221 -0.757 1.00 0.00 H ATOM 1211 HG21 VAL A 234 -2.910 26.704 1.022 1.00 0.00 H ATOM 1212 HG22 VAL A 234 -4.560 26.244 1.510 1.00 0.00 H ATOM 1213 HG23 VAL A 234 -3.277 25.011 1.436 1.00 0.00 H ATOM 1214 H VAL A 234 -6.291 26.703 0.185 1.00 0.00 H ATOM 1215 N THR A 235 -5.829 26.088 -3.004 1.00 30.60 N ATOM 1216 CA THR A 235 -6.187 25.970 -4.415 1.00 30.79 C ATOM 1217 C THR A 235 -6.189 27.342 -5.089 1.00 30.86 C ATOM 1218 O THR A 235 -5.603 27.514 -6.156 1.00 30.92 O ATOM 1219 CB THR A 235 -7.588 25.350 -4.590 1.00 30.95 C ATOM 1220 OG1 THR A 235 -7.719 24.190 -3.753 1.00 31.47 O ATOM 1221 CG2 THR A 235 -7.827 24.968 -6.052 1.00 30.82 C ATOM 1222 HA THR A 235 -5.441 25.323 -4.877 1.00 0.00 H ATOM 1223 HB THR A 235 -8.334 26.089 -4.297 1.00 0.00 H ATOM 1224 HG1 THR A 235 -7.594 24.452 -2.806 1.00 0.00 H ATOM 1225 HG23 THR A 235 -7.726 25.854 -6.679 1.00 0.00 H ATOM 1226 HG21 THR A 235 -7.094 24.221 -6.355 1.00 0.00 H ATOM 1227 HG22 THR A 235 -8.831 24.558 -6.160 1.00 0.00 H ATOM 1228 H THR A 235 -6.442 25.648 -2.288 1.00 0.00 H ATOM 1229 N ASP A 236 -6.849 28.305 -4.444 1.00 30.93 N ATOM 1230 CA ASP A 236 -6.950 29.682 -4.937 1.00 30.97 C ATOM 1231 C ASP A 236 -5.598 30.379 -5.017 1.00 31.05 C ATOM 1232 O ASP A 236 -5.371 31.185 -5.910 1.00 31.04 O ATOM 1233 CB ASP A 236 -7.879 30.508 -4.036 1.00 30.90 C ATOM 1234 CG ASP A 236 -9.346 30.152 -4.208 1.00 30.53 C ATOM 1235 OD1 ASP A 236 -9.664 29.185 -4.932 1.00 30.48 O ATOM 1236 OD2 ASP A 236 -10.188 30.848 -3.603 1.00 30.33 O ATOM 1237 HA ASP A 236 -7.357 29.617 -5.946 1.00 0.00 H ATOM 1238 HB2 ASP A 236 -7.599 30.335 -2.997 1.00 0.00 H ATOM 1239 HB3 ASP A 236 -7.747 31.563 -4.276 1.00 0.00 H ATOM 1240 H ASP A 236 -7.316 28.067 -3.546 1.00 0.00 H ATOM 1241 N MET A 237 -4.716 30.086 -4.067 1.00 31.39 N ATOM 1242 CA MET A 237 -3.356 30.617 -4.089 1.00 31.70 C ATOM 1243 C MET A 237 -2.593 30.082 -5.296 1.00 31.93 C ATOM 1244 O MET A 237 -1.816 30.802 -5.914 1.00 32.04 O ATOM 1245 CB MET A 237 -2.600 30.241 -2.807 1.00 31.45 C ATOM 1246 CG MET A 237 -3.022 31.020 -1.569 1.00 31.62 C ATOM 1247 SD MET A 237 -2.439 30.266 -0.029 1.00 31.72 S ATOM 1248 CE MET A 237 -0.668 30.447 -0.200 1.00 31.32 C ATOM 1249 HA MET A 237 -3.426 31.703 -4.155 1.00 0.00 H ATOM 1250 HB2 MET A 237 -2.764 29.181 -2.614 1.00 0.00 H ATOM 1251 HB3 MET A 237 -1.538 30.418 -2.974 1.00 0.00 H ATOM 1252 HG2 MET A 237 -4.111 31.068 -1.543 1.00 0.00 H ATOM 1253 HG3 MET A 237 -2.616 32.029 -1.638 1.00 0.00 H ATOM 1254 HE1 MET A 237 -0.335 29.920 -1.094 1.00 0.00 H ATOM 1255 HE2 MET A 237 -0.419 31.505 -0.286 1.00 0.00 H ATOM 1256 HE3 MET A 237 -0.175 30.026 0.676 1.00 0.00 H ATOM 1257 H MET A 237 -5.002 29.461 -3.286 1.00 0.00 H ATOM 1258 N MET A 238 -2.822 28.815 -5.624 1.00 32.22 N ATOM 1259 CA MET A 238 -2.099 28.157 -6.703 1.00 32.60 C ATOM 1260 C MET A 238 -2.570 28.581 -8.084 1.00 32.95 C ATOM 1261 O MET A 238 -1.750 28.826 -8.963 1.00 33.10 O ATOM 1262 CB MET A 238 -2.216 26.650 -6.557 1.00 32.55 C ATOM 1263 CG MET A 238 -1.584 26.159 -5.291 1.00 32.34 C ATOM 1264 SD MET A 238 -1.307 24.415 -5.330 1.00 32.52 S ATOM 1265 CE MET A 238 -0.435 24.207 -3.790 1.00 32.67 C ATOM 1266 HA MET A 238 -1.057 28.465 -6.618 1.00 0.00 H ATOM 1267 HB2 MET A 238 -3.271 26.377 -6.553 1.00 0.00 H ATOM 1268 HB3 MET A 238 -1.723 26.174 -7.405 1.00 0.00 H ATOM 1269 HG2 MET A 238 -2.242 26.394 -4.454 1.00 0.00 H ATOM 1270 HG3 MET A 238 -0.629 26.665 -5.154 1.00 0.00 H ATOM 1271 HE1 MET A 238 0.478 24.802 -3.808 1.00 0.00 H ATOM 1272 HE2 MET A 238 -1.069 24.537 -2.967 1.00 0.00 H ATOM 1273 HE3 MET A 238 -0.182 23.155 -3.656 1.00 0.00 H ATOM 1274 H MET A 238 -3.538 28.278 -5.095 1.00 0.00 H ATOM 1275 N VAL A 239 -3.884 28.666 -8.272 1.00 33.49 N ATOM 1276 CA VAL A 239 -4.449 29.098 -9.556 1.00 33.89 C ATOM 1277 C VAL A 239 -4.241 30.599 -9.790 1.00 34.25 C ATOM 1278 O VAL A 239 -4.176 31.047 -10.932 1.00 34.29 O ATOM 1279 CB VAL A 239 -5.958 28.750 -9.701 1.00 33.92 C ATOM 1280 CG1 VAL A 239 -6.194 27.258 -9.476 1.00 33.99 C ATOM 1281 CG2 VAL A 239 -6.818 29.585 -8.772 1.00 34.02 C ATOM 1282 HA VAL A 239 -3.905 28.540 -10.318 1.00 0.00 H ATOM 1283 HB VAL A 239 -6.255 28.992 -10.721 1.00 0.00 H ATOM 1284 HG11 VAL A 239 -5.629 26.687 -10.212 1.00 0.00 H ATOM 1285 HG12 VAL A 239 -5.865 26.987 -8.473 1.00 0.00 H ATOM 1286 HG13 VAL A 239 -7.257 27.039 -9.583 1.00 0.00 H ATOM 1287 HG21 VAL A 239 -6.520 29.401 -7.740 1.00 0.00 H ATOM 1288 HG22 VAL A 239 -6.685 30.641 -9.007 1.00 0.00 H ATOM 1289 HG23 VAL A 239 -7.865 29.311 -8.904 1.00 0.00 H ATOM 1290 H VAL A 239 -4.526 28.421 -7.491 1.00 0.00 H ATOM 1291 N ALA A 240 -4.142 31.367 -8.706 1.00 34.61 N ATOM 1292 CA ALA A 240 -3.797 32.785 -8.797 1.00 34.90 C ATOM 1293 C ALA A 240 -2.412 32.946 -9.405 1.00 35.26 C ATOM 1294 O ALA A 240 -2.223 33.745 -10.322 1.00 35.51 O ATOM 1295 CB ALA A 240 -3.832 33.432 -7.424 1.00 35.02 C ATOM 1296 HA ALA A 240 -4.530 33.278 -9.435 1.00 0.00 H ATOM 1297 HB1 ALA A 240 -4.834 33.338 -7.005 1.00 0.00 H ATOM 1298 HB2 ALA A 240 -3.115 32.934 -6.771 1.00 0.00 H ATOM 1299 HB3 ALA A 240 -3.572 34.487 -7.514 1.00 0.00 H ATOM 1300 H ALA A 240 -4.315 30.947 -7.770 1.00 0.00 H ATOM 1301 N ASN A 241 -1.455 32.172 -8.884 1.00 35.50 N ATOM 1302 CA ASN A 241 -0.056 32.196 -9.334 1.00 35.44 C ATOM 1303 C ASN A 241 0.247 31.206 -10.481 1.00 35.37 C ATOM 1304 O ASN A 241 1.410 30.866 -10.715 1.00 35.40 O ATOM 1305 CB ASN A 241 0.864 31.864 -8.145 1.00 35.69 C ATOM 1306 CG ASN A 241 0.734 32.856 -6.991 1.00 36.17 C ATOM 1307 OD1 ASN A 241 1.130 34.019 -7.105 1.00 36.75 O ATOM 1308 ND2 ASN A 241 0.208 32.388 -5.862 1.00 36.77 N ATOM 1309 HA ASN A 241 0.126 33.199 -9.720 1.00 0.00 H ATOM 1310 HB2 ASN A 241 0.611 30.869 -7.778 1.00 0.00 H ATOM 1311 HB3 ASN A 241 1.897 31.870 -8.493 1.00 0.00 H ATOM 1312 HD22 ASN A 241 -0.114 31.400 -5.808 1.00 0.00 H ATOM 1313 HD21 ASN A 241 0.118 33.010 -5.033 1.00 0.00 H ATOM 1314 H ASN A 241 -1.714 31.517 -8.119 1.00 0.00 H ATOM 1315 N SER A 242 -0.783 30.772 -11.209 1.00 35.24 N ATOM 1316 CA SER A 242 -0.679 29.603 -12.098 1.00 35.14 C ATOM 1317 C SER A 242 0.298 29.745 -13.260 1.00 35.18 C ATOM 1318 O SER A 242 0.741 28.736 -13.816 1.00 35.23 O ATOM 1319 CB SER A 242 -2.053 29.221 -12.646 1.00 34.98 C ATOM 1320 OG SER A 242 -2.687 30.344 -13.218 1.00 34.83 O ATOM 1321 HA SER A 242 -0.273 28.817 -11.461 1.00 0.00 H ATOM 1322 HB2 SER A 242 -2.669 28.836 -11.833 1.00 0.00 H ATOM 1323 HB3 SER A 242 -1.934 28.450 -13.407 1.00 0.00 H ATOM 1324 HG SER A 242 -2.799 31.045 -12.528 1.00 0.00 H ATOM 1325 H SER A 242 -1.690 31.276 -11.147 1.00 0.00 H ATOM 1326 N SER A 243 0.627 30.978 -13.637 1.00 35.25 N ATOM 1327 CA SER A 243 1.592 31.204 -14.715 1.00 35.25 C ATOM 1328 C SER A 243 2.986 30.772 -14.255 1.00 35.35 C ATOM 1329 O SER A 243 3.604 29.887 -14.863 1.00 35.55 O ATOM 1330 CB SER A 243 1.596 32.672 -15.153 1.00 35.37 C ATOM 1331 OG SER A 243 0.308 33.079 -15.584 1.00 35.39 O ATOM 1332 HA SER A 243 1.300 30.605 -15.577 1.00 0.00 H ATOM 1333 HB2 SER A 243 2.302 32.797 -15.974 1.00 0.00 H ATOM 1334 HB3 SER A 243 1.904 33.294 -14.312 1.00 0.00 H ATOM 1335 HG SER A 243 0.339 34.029 -15.861 1.00 0.00 H ATOM 1336 H SER A 243 0.192 31.793 -13.159 1.00 0.00 H ATOM 1337 N ASN A 244 3.466 31.389 -13.174 1.00 35.11 N ATOM 1338 CA ASN A 244 4.730 30.996 -12.565 1.00 34.67 C ATOM 1339 C ASN A 244 4.461 30.568 -11.138 1.00 34.26 C ATOM 1340 O ASN A 244 4.609 31.349 -10.199 1.00 34.02 O ATOM 1341 CB ASN A 244 5.767 32.129 -12.635 1.00 34.91 C ATOM 1342 CG ASN A 244 7.210 31.608 -12.763 1.00 35.20 C ATOM 1343 OD1 ASN A 244 7.568 30.540 -12.241 1.00 35.29 O ATOM 1344 ND2 ASN A 244 8.040 32.371 -13.465 1.00 35.33 N ATOM 1345 HA ASN A 244 5.158 30.160 -13.118 1.00 0.00 H ATOM 1346 HB2 ASN A 244 5.544 32.753 -13.500 1.00 0.00 H ATOM 1347 HB3 ASN A 244 5.691 32.728 -11.727 1.00 0.00 H ATOM 1348 HD22 ASN A 244 7.700 33.259 -13.886 1.00 0.00 H ATOM 1349 HD21 ASN A 244 9.030 32.081 -13.594 1.00 0.00 H ATOM 1350 H ASN A 244 2.924 32.171 -12.755 1.00 0.00 H ATOM 1351 N LEU A 245 4.030 29.316 -11.005 1.00 33.79 N ATOM 1352 CA LEU A 245 3.763 28.707 -9.714 1.00 33.47 C ATOM 1353 C LEU A 245 5.056 28.131 -9.158 1.00 33.12 C ATOM 1354 O LEU A 245 5.809 27.488 -9.878 1.00 32.85 O ATOM 1355 CB LEU A 245 2.715 27.604 -9.867 1.00 33.29 C ATOM 1356 CG LEU A 245 2.236 26.899 -8.597 1.00 33.48 C ATOM 1357 CD1 LEU A 245 1.774 27.901 -7.532 1.00 33.29 C ATOM 1358 CD2 LEU A 245 1.126 25.921 -8.938 1.00 33.22 C ATOM 1359 HA LEU A 245 3.378 29.459 -9.025 1.00 0.00 H ATOM 1360 HB2 LEU A 245 1.841 28.049 -10.343 1.00 0.00 H ATOM 1361 HB3 LEU A 245 3.136 26.843 -10.523 1.00 0.00 H ATOM 1362 HG LEU A 245 3.077 26.349 -8.175 1.00 0.00 H ATOM 1363 HD21 LEU A 245 0.293 26.461 -9.387 1.00 0.00 H ATOM 1364 HD22 LEU A 245 1.501 25.179 -9.643 1.00 0.00 H ATOM 1365 HD23 LEU A 245 0.790 25.423 -8.028 1.00 0.00 H ATOM 1366 HD11 LEU A 245 2.603 28.558 -7.269 1.00 0.00 H ATOM 1367 HD12 LEU A 245 0.950 28.495 -7.927 1.00 0.00 H ATOM 1368 HD13 LEU A 245 1.442 27.360 -6.646 1.00 0.00 H ATOM 1369 H LEU A 245 3.878 28.749 -11.863 1.00 0.00 H ATOM 1370 N ILE A 246 5.316 28.384 -7.880 1.00 33.05 N ATOM 1371 CA ILE A 246 6.479 27.827 -7.192 1.00 33.15 C ATOM 1372 C ILE A 246 5.999 27.124 -5.932 1.00 33.16 C ATOM 1373 O ILE A 246 5.593 27.773 -4.976 1.00 33.21 O ATOM 1374 CB ILE A 246 7.521 28.914 -6.813 1.00 33.08 C ATOM 1375 CG1 ILE A 246 8.041 29.616 -8.071 1.00 32.87 C ATOM 1376 CG2 ILE A 246 8.681 28.288 -6.023 1.00 32.96 C ATOM 1377 CD1 ILE A 246 8.991 30.768 -7.809 1.00 32.79 C ATOM 1378 HA ILE A 246 6.974 27.131 -7.869 1.00 0.00 H ATOM 1379 HB ILE A 246 7.036 29.658 -6.181 1.00 0.00 H ATOM 1380 HG12 ILE A 246 8.562 28.878 -8.681 1.00 0.00 H ATOM 1381 HG13 ILE A 246 7.184 30.002 -8.623 1.00 0.00 H ATOM 1382 HD11 ILE A 246 8.485 31.526 -7.212 1.00 0.00 H ATOM 1383 HD12 ILE A 246 9.864 30.402 -7.269 1.00 0.00 H ATOM 1384 HD13 ILE A 246 9.305 31.202 -8.759 1.00 0.00 H ATOM 1385 HG21 ILE A 246 8.294 27.832 -5.112 1.00 0.00 H ATOM 1386 HG22 ILE A 246 9.166 27.527 -6.634 1.00 0.00 H ATOM 1387 HG23 ILE A 246 9.403 29.063 -5.765 1.00 0.00 H ATOM 1388 H ILE A 246 4.668 29.001 -7.350 1.00 0.00 H ATOM 1389 N ILE A 247 6.036 25.796 -5.950 1.00 33.35 N ATOM 1390 CA ILE A 247 5.636 24.991 -4.809 1.00 33.33 C ATOM 1391 C ILE A 247 6.879 24.609 -4.027 1.00 33.24 C ATOM 1392 O ILE A 247 7.915 24.307 -4.612 1.00 33.14 O ATOM 1393 CB ILE A 247 4.931 23.683 -5.250 1.00 33.60 C ATOM 1394 CG1 ILE A 247 3.816 23.961 -6.259 1.00 34.23 C ATOM 1395 CG2 ILE A 247 4.356 22.945 -4.044 1.00 33.65 C ATOM 1396 CD1 ILE A 247 2.782 24.960 -5.779 1.00 34.86 C ATOM 1397 HA ILE A 247 4.942 25.578 -4.207 1.00 0.00 H ATOM 1398 HB ILE A 247 5.683 23.057 -5.729 1.00 0.00 H ATOM 1399 HG12 ILE A 247 4.269 24.348 -7.172 1.00 0.00 H ATOM 1400 HG13 ILE A 247 3.309 23.021 -6.477 1.00 0.00 H ATOM 1401 HD11 ILE A 247 2.308 24.584 -4.872 1.00 0.00 H ATOM 1402 HD12 ILE A 247 3.269 25.912 -5.568 1.00 0.00 H ATOM 1403 HD13 ILE A 247 2.028 25.100 -6.553 1.00 0.00 H ATOM 1404 HG21 ILE A 247 5.162 22.695 -3.354 1.00 0.00 H ATOM 1405 HG22 ILE A 247 3.630 23.584 -3.541 1.00 0.00 H ATOM 1406 HG23 ILE A 247 3.866 22.031 -4.379 1.00 0.00 H ATOM 1407 H ILE A 247 6.363 25.315 -6.812 1.00 0.00 H ATOM 1408 N THR A 248 6.771 24.625 -2.704 1.00 33.14 N ATOM 1409 CA THR A 248 7.767 23.994 -1.848 1.00 33.11 C ATOM 1410 C THR A 248 7.074 22.842 -1.143 1.00 33.07 C ATOM 1411 O THR A 248 6.055 23.037 -0.478 1.00 32.88 O ATOM 1412 CB THR A 248 8.346 24.963 -0.814 1.00 33.07 C ATOM 1413 OG1 THR A 248 8.734 26.178 -1.464 1.00 33.43 O ATOM 1414 CG2 THR A 248 9.563 24.354 -0.118 1.00 33.08 C ATOM 1415 HA THR A 248 8.606 23.656 -2.456 1.00 0.00 H ATOM 1416 HB THR A 248 7.581 25.166 -0.065 1.00 0.00 H ATOM 1417 HG1 THR A 248 9.108 26.804 -0.795 1.00 0.00 H ATOM 1418 HG23 THR A 248 9.271 23.428 0.378 1.00 0.00 H ATOM 1419 HG21 THR A 248 10.335 24.143 -0.858 1.00 0.00 H ATOM 1420 HG22 THR A 248 9.948 25.058 0.620 1.00 0.00 H ATOM 1421 H THR A 248 5.955 25.100 -2.268 1.00 0.00 H ATOM 1422 N VAL A 249 7.624 21.641 -1.303 1.00 33.10 N ATOM 1423 CA VAL A 249 7.009 20.439 -0.762 1.00 33.09 C ATOM 1424 C VAL A 249 7.954 19.648 0.123 1.00 33.09 C ATOM 1425 O VAL A 249 9.166 19.783 0.028 1.00 33.00 O ATOM 1426 CB VAL A 249 6.498 19.495 -1.880 1.00 33.04 C ATOM 1427 CG1 VAL A 249 5.270 20.084 -2.572 1.00 33.13 C ATOM 1428 CG2 VAL A 249 7.606 19.172 -2.889 1.00 32.95 C ATOM 1429 HA VAL A 249 6.170 20.795 -0.164 1.00 0.00 H ATOM 1430 HB VAL A 249 6.200 18.556 -1.413 1.00 0.00 H ATOM 1431 HG11 VAL A 249 4.474 20.224 -1.840 1.00 0.00 H ATOM 1432 HG12 VAL A 249 5.531 21.045 -3.016 1.00 0.00 H ATOM 1433 HG13 VAL A 249 4.932 19.402 -3.352 1.00 0.00 H ATOM 1434 HG21 VAL A 249 7.957 20.096 -3.349 1.00 0.00 H ATOM 1435 HG22 VAL A 249 8.433 18.683 -2.374 1.00 0.00 H ATOM 1436 HG23 VAL A 249 7.212 18.508 -3.659 1.00 0.00 H ATOM 1437 H VAL A 249 8.518 21.560 -1.829 1.00 0.00 H ATOM 1438 N LYS A 250 7.368 18.826 0.987 1.00 33.35 N ATOM 1439 CA LYS A 250 8.100 17.824 1.739 1.00 33.43 C ATOM 1440 C LYS A 250 7.795 16.482 1.077 1.00 33.45 C ATOM 1441 O LYS A 250 6.682 15.968 1.212 1.00 33.34 O ATOM 1442 CB LYS A 250 7.668 17.838 3.205 1.00 33.44 C ATOM 1443 CG LYS A 250 8.621 17.095 4.119 1.00 33.59 C ATOM 1444 CD LYS A 250 8.448 17.490 5.579 1.00 33.76 C ATOM 1445 CE LYS A 250 9.569 16.892 6.428 1.00 34.07 C ATOM 1446 NZ LYS A 250 9.360 17.087 7.891 1.00 34.45 N ATOM 1447 HA LYS A 250 9.172 18.019 1.731 1.00 0.00 H ATOM 1448 HB2 LYS A 250 7.607 18.874 3.538 1.00 0.00 H ATOM 1449 HB3 LYS A 250 6.684 17.375 3.280 1.00 0.00 H ATOM 1450 HG2 LYS A 250 8.438 16.025 4.021 1.00 0.00 H ATOM 1451 HG3 LYS A 250 9.644 17.317 3.814 1.00 0.00 H ATOM 1452 HD2 LYS A 250 8.474 18.576 5.663 1.00 0.00 H ATOM 1453 HD3 LYS A 250 7.488 17.121 5.940 1.00 0.00 H ATOM 1454 HE2 LYS A 250 10.509 17.365 6.145 1.00 0.00 H ATOM 1455 HE3 LYS A 250 9.626 15.823 6.225 1.00 0.00 H ATOM 1456 HZ1 LYS A 250 9.313 18.105 8.101 1.00 0.00 H ATOM 1457 HZ2 LYS A 250 8.470 16.632 8.177 1.00 0.00 H ATOM 1458 HZ3 LYS A 250 10.152 16.661 8.413 1.00 0.00 H ATOM 1459 H LYS A 250 6.341 18.904 1.130 1.00 0.00 H ATOM 1460 N PRO A 251 8.763 15.931 0.315 1.00 33.65 N ATOM 1461 CA PRO A 251 8.545 14.687 -0.433 1.00 33.81 C ATOM 1462 C PRO A 251 8.072 13.529 0.437 1.00 34.02 C ATOM 1463 O PRO A 251 8.603 13.322 1.527 1.00 34.12 O ATOM 1464 CB PRO A 251 9.929 14.376 -1.012 1.00 33.79 C ATOM 1465 CG PRO A 251 10.610 15.680 -1.085 1.00 33.68 C ATOM 1466 CD PRO A 251 10.122 16.461 0.093 1.00 33.63 C ATOM 1467 HA PRO A 251 7.759 14.809 -1.178 1.00 0.00 H ATOM 1468 HD3 PRO A 251 10.755 16.290 0.964 1.00 0.00 H ATOM 1469 HD2 PRO A 251 10.093 17.528 -0.130 1.00 0.00 H ATOM 1470 HG3 PRO A 251 10.353 16.191 -2.013 1.00 0.00 H ATOM 1471 HG2 PRO A 251 11.691 15.548 -1.032 1.00 0.00 H ATOM 1472 HB2 PRO A 251 10.474 13.694 -0.359 1.00 0.00 H ATOM 1473 HB3 PRO A 251 9.840 13.933 -2.004 1.00 0.00 H ATOM 1474 N ALA A 252 7.088 12.779 -0.055 1.00 34.24 N ATOM 1475 CA ALA A 252 6.506 11.661 0.689 1.00 34.33 C ATOM 1476 C ALA A 252 7.581 10.723 1.235 1.00 34.54 C ATOM 1477 O ALA A 252 7.488 10.258 2.375 1.00 34.61 O ATOM 1478 CB ALA A 252 5.539 10.890 -0.197 1.00 34.36 C ATOM 1479 HA ALA A 252 5.965 12.075 1.540 1.00 0.00 H ATOM 1480 HB1 ALA A 252 4.741 11.555 -0.526 1.00 0.00 H ATOM 1481 HB2 ALA A 252 6.073 10.503 -1.065 1.00 0.00 H ATOM 1482 HB3 ALA A 252 5.113 10.061 0.368 1.00 0.00 H ATOM 1483 H ALA A 252 6.719 12.996 -1.003 1.00 0.00 H ATOM 1484 N ASN A 253 8.595 10.455 0.412 1.00 34.73 N ATOM 1485 CA ASN A 253 9.735 9.621 0.799 1.00 34.73 C ATOM 1486 C ASN A 253 11.038 10.406 0.644 1.00 34.86 C ATOM 1487 O ASN A 253 11.152 11.297 -0.204 1.00 34.93 O ATOM 1488 CB ASN A 253 9.774 8.356 -0.047 1.00 34.75 C ATOM 1489 HA ASN A 253 9.622 9.335 1.845 1.00 0.00 H ATOM 1490 HB2 ASN A 253 8.853 7.793 0.102 1.00 0.00 H ATOM 1491 HB3 ASN A 253 9.870 8.626 -1.099 1.00 0.00 H ATOM 1492 H ASN A 253 8.576 10.856 -0.547 1.00 0.00 H TER 1493 ASN A 253 HETATM 1494 O HOH 1 3.225 25.512 5.807 1.00 59.06 O HETATM 1495 O HOH 2 0.633 21.070 4.300 1.00 61.16 O HETATM 1496 O HOH 3 -1.655 11.994 4.706 1.00 68.68 O HETATM 1497 O HOH 4 6.756 15.330 -11.232 1.00 71.77 O HETATM 1498 O HOH 5 -7.983 25.088 -11.167 1.00 78.97 O HETATM 1499 N HIS A 6 -10.561 11.806 2.403 1.00 0.24 N HETATM 1500 CA HIS A 6 -9.846 13.040 1.958 1.00 0.07 C HETATM 1501 C HIS A 6 -10.497 13.623 0.702 1.00 0.23 C HETATM 1502 O HIS A 6 -10.568 12.956 -0.334 1.00 -0.39 O HETATM 1503 N HIS A 6 -10.971 14.863 0.799 1.00 -0.26 N HETATM 1504 CA HIS A 6 -11.531 15.568 -0.360 1.00 0.13 C HETATM 1505 C HIS A 6 -10.429 16.275 -1.132 1.00 0.20 C HETATM 1506 O HIS A 6 -9.465 16.750 -0.537 1.00 -0.39 O HETATM 1507 N HIS A 6 -10.582 16.351 -2.451 1.00 -0.26 N HETATM 1508 CA HIS A 6 -9.544 16.916 -3.310 1.00 0.13 C HETATM 1509 C HIS A 6 -10.064 18.026 -4.207 1.00 0.20 C HETATM 1510 O HIS A 6 -11.268 18.169 -4.416 1.00 -0.39 O HETATM 1511 N HIS A 6 -9.125 18.803 -4.736 1.00 -0.26 N HETATM 1512 CA HIS A 6 -9.430 19.905 -5.634 1.00 0.13 C HETATM 1513 C HIS A 6 -8.336 20.061 -6.680 1.00 0.20 C HETATM 1514 O HIS A 6 -7.166 19.777 -6.423 1.00 -0.39 O HETATM 1515 N HIS A 6 -8.739 20.522 -7.859 1.00 -0.26 N HETATM 1516 CA HIS A 6 -7.878 20.529 -9.035 1.00 0.13 C HETATM 1517 C HIS A 6 -7.247 21.892 -9.263 1.00 0.20 C HETATM 1518 O HIS A 6 -7.938 22.915 -9.270 1.00 -0.39 O HETATM 1519 N HIS A 6 -5.931 21.889 -9.458 1.00 -0.26 N HETATM 1520 CA HIS A 6 -5.203 23.085 -9.849 1.00 0.13 C HETATM 1521 C HIS A 6 -4.946 23.032 -11.356 1.00 0.20 C HETATM 1522 O HIS A 6 -4.133 22.234 -11.824 1.00 -0.39 O HETATM 1523 N HIS A 6 -5.656 23.876 -12.103 1.00 -0.26 N HETATM 1524 CA HIS A 6 -5.502 23.972 -13.554 1.00 0.14 C HETATM 1525 C HIS A 6 -5.488 22.594 -14.216 1.00 0.21 C HETATM 1526 O HIS A 6 -4.425 22.032 -14.493 1.00 -0.39 O HETATM 1527 N HIS A 6 -6.684 22.060 -14.457 1.00 -0.26 N HETATM 1528 CA HIS A 6 -6.845 20.764 -15.114 1.00 0.14 C HETATM 1529 C HIS A 6 -7.838 20.877 -16.275 1.00 0.21 C HETATM 1530 O HIS A 6 -8.887 21.499 -16.126 1.00 -0.39 O HETATM 1531 N HIS A 6 -7.510 20.274 -17.435 1.00 -0.26 N HETATM 1532 CA HIS A 6 -8.349 20.381 -18.633 1.00 0.10 C HETATM 1533 C HIS A 6 -9.579 19.467 -18.606 1.00 0.06 C HETATM 1534 O HIS A 6 -9.901 18.857 -17.584 1.00 -0.57 O HETATM 1535 OXT HIS A 6 -10.284 19.313 -19.608 1.00 -0.57 O HETATM 1536 CB HIS A 6 -7.397 19.952 -19.751 1.00 -0.02 C HETATM 1537 CG HIS A 6 -6.502 18.964 -19.099 1.00 -0.03 C HETATM 1538 CD HIS A 6 -6.320 19.438 -17.680 1.00 0.04 C HETATM 1539 H66 HIS A 6 -6.288 18.587 -16.983 1.00 0.05 H HETATM 1540 H67 HIS A 6 -5.398 20.029 -17.579 1.00 0.05 H HETATM 1541 H64 HIS A 6 -5.532 18.927 -19.617 1.00 0.03 H HETATM 1542 H65 HIS A 6 -6.962 17.965 -19.112 1.00 0.03 H HETATM 1543 H62 HIS A 6 -6.823 20.811 -20.127 1.00 0.03 H HETATM 1544 H63 HIS A 6 -7.951 19.490 -20.581 1.00 0.03 H HETATM 1545 H61 HIS A 6 -8.681 21.420 -18.775 1.00 0.07 H HETATM 1546 CB HIS A 6 -7.315 19.715 -14.102 1.00 0.03 C HETATM 1547 SG HIS A 6 -6.115 19.387 -12.766 1.00 -0.17 S HETATM 1548 H60 HIS A 6 -6.491 18.690 -12.142 1.00 0.10 H HETATM 1549 H58 HIS A 6 -7.500 18.773 -14.640 1.00 0.04 H HETATM 1550 H59 HIS A 6 -8.252 20.068 -13.647 1.00 0.04 H HETATM 1551 H57 HIS A 6 -5.870 20.450 -15.517 1.00 0.08 H HETATM 1552 H56 HIS A 6 -7.502 22.564 -14.178 1.00 0.19 H HETATM 1553 CB HIS A 6 -4.232 24.758 -13.908 1.00 0.04 C HETATM 1554 CG HIS A 6 -4.173 25.163 -15.377 1.00 0.04 C HETATM 1555 OD1 HIS A 6 -5.103 24.831 -16.144 1.00 -0.57 O HETATM 1556 OD2 HIS A 6 -3.190 25.824 -15.771 1.00 -0.57 O HETATM 1557 H54 HIS A 6 -3.357 24.131 -13.682 1.00 0.05 H HETATM 1558 H55 HIS A 6 -4.200 25.669 -13.292 1.00 0.05 H HETATM 1559 H53 HIS A 6 -6.367 24.526 -13.949 1.00 0.08 H HETATM 1560 H52 HIS A 6 -6.323 24.469 -11.652 1.00 0.19 H HETATM 1561 CB HIS A 6 -3.872 23.199 -9.090 1.00 -0.01 C HETATM 1562 CG1 HIS A 6 -3.114 24.453 -9.524 1.00 -0.06 C HETATM 1563 H46 HIS A 6 -2.165 24.518 -8.971 1.00 0.02 H HETATM 1564 H47 HIS A 6 -3.724 25.343 -9.310 1.00 0.02 H HETATM 1565 H48 HIS A 6 -2.907 24.401 -10.603 1.00 0.02 H HETATM 1566 CG2 HIS A 6 -4.127 23.204 -7.587 1.00 -0.06 C HETATM 1567 H49 HIS A 6 -4.673 22.292 -7.305 1.00 0.02 H HETATM 1568 H50 HIS A 6 -4.726 24.087 -7.320 1.00 0.02 H HETATM 1569 H51 HIS A 6 -3.166 23.237 -7.052 1.00 0.02 H HETATM 1570 H45 HIS A 6 -3.255 22.322 -9.334 1.00 0.03 H HETATM 1571 H44 HIS A 6 -5.817 23.968 -9.618 1.00 0.08 H HETATM 1572 H43 HIS A 6 -5.426 21.035 -9.331 1.00 0.19 H HETATM 1573 CB HIS A 6 -8.675 20.116 -10.268 1.00 -0.02 C HETATM 1574 H40 HIS A 6 -8.017 20.124 -11.149 1.00 0.03 H HETATM 1575 H41 HIS A 6 -9.504 20.823 -10.422 1.00 0.03 H HETATM 1576 H42 HIS A 6 -9.079 19.103 -10.121 1.00 0.03 H HETATM 1577 H39 HIS A 6 -7.072 19.798 -8.876 1.00 0.08 H HETATM 1578 H38 HIS A 6 -9.670 20.878 -7.943 1.00 0.19 H HETATM 1579 CB HIS A 6 -9.603 21.198 -4.845 1.00 -0.00 C HETATM 1580 CG HIS A 6 -10.979 21.337 -4.226 1.00 -0.00 C HETATM 1581 SD HIS A 6 -11.347 23.036 -3.769 1.00 -0.16 S HETATM 1582 CE HIS A 6 -13.141 22.993 -3.781 1.00 -0.02 C HETATM 1583 H35 HIS A 6 -13.533 23.985 -3.514 1.00 0.03 H HETATM 1584 H36 HIS A 6 -13.495 22.250 -3.051 1.00 0.03 H HETATM 1585 H37 HIS A 6 -13.495 22.717 -4.785 1.00 0.03 H HETATM 1586 H33 HIS A 6 -11.027 20.709 -3.324 1.00 0.04 H HETATM 1587 H34 HIS A 6 -11.731 20.994 -4.952 1.00 0.04 H HETATM 1588 H31 HIS A 6 -9.437 22.047 -5.524 1.00 0.03 H HETATM 1589 H32 HIS A 6 -8.853 21.220 -4.040 1.00 0.03 H HETATM 1590 H30 HIS A 6 -10.376 19.682 -6.150 1.00 0.08 H HETATM 1591 H29 HIS A 6 -8.168 18.622 -4.507 1.00 0.19 H HETATM 1592 CB HIS A 6 -8.893 15.826 -4.168 1.00 -0.00 C HETATM 1593 CG HIS A 6 -9.739 15.344 -5.342 1.00 0.00 C HETATM 1594 CD HIS A 6 -9.225 14.045 -5.938 1.00 0.04 C HETATM 1595 OE1 HIS A 6 -7.992 13.851 -5.981 1.00 -0.57 O HETATM 1596 OE2 HIS A 6 -10.058 13.220 -6.369 1.00 -0.57 O HETATM 1597 H27 HIS A 6 -9.730 16.118 -6.124 1.00 0.04 H HETATM 1598 H28 HIS A 6 -10.770 15.187 -4.992 1.00 0.04 H HETATM 1599 H25 HIS A 6 -8.682 14.962 -3.521 1.00 0.03 H HETATM 1600 H26 HIS A 6 -7.949 16.224 -4.568 1.00 0.03 H HETATM 1601 H24 HIS A 6 -8.771 17.346 -2.657 1.00 0.08 H HETATM 1602 H23 HIS A 6 -11.428 16.013 -2.865 1.00 0.19 H HETATM 1603 CB HIS A 6 -12.598 16.580 0.062 1.00 -0.01 C HETATM 1604 CG HIS A 6 -12.130 17.662 1.029 1.00 -0.02 C HETATM 1605 CD HIS A 6 -13.241 18.657 1.325 1.00 0.06 C HETATM 1606 NE HIS A 6 -12.893 20.025 0.936 1.00 -0.27 N HETATM 1607 CZ HIS A 6 -12.952 20.524 -0.299 1.00 0.29 C HETATM 1608 NH1 HIS A 6 -13.341 19.781 -1.335 1.00 -0.28 N HETATM 1609 H19 HIS A 6 -13.377 20.192 -2.279 1.00 0.26 H HETATM 1610 H20 HIS A 6 -13.605 18.796 -1.192 1.00 0.26 H HETATM 1611 NH2 HIS A 6 -12.607 21.792 -0.495 1.00 -0.28 N HETATM 1612 H21 HIS A 6 -12.305 22.372 0.300 1.00 0.26 H HETATM 1613 H22 HIS A 6 -12.641 22.195 -1.442 1.00 0.26 H HETATM 1614 H18 HIS A 6 -12.574 20.658 1.683 1.00 0.26 H HETATM 1615 H16 HIS A 6 -13.450 18.641 2.405 1.00 0.07 H HETATM 1616 H17 HIS A 6 -14.142 18.353 0.773 1.00 0.07 H HETATM 1617 H14 HIS A 6 -11.279 18.198 0.583 1.00 0.03 H HETATM 1618 H15 HIS A 6 -11.813 17.189 1.970 1.00 0.03 H HETATM 1619 H12 HIS A 6 -13.418 16.027 0.543 1.00 0.03 H HETATM 1620 H13 HIS A 6 -12.973 17.076 -0.846 1.00 0.03 H HETATM 1621 H11 HIS A 6 -12.001 14.825 -1.021 1.00 0.08 H HETATM 1622 H10 HIS A 6 -10.945 15.326 1.685 1.00 0.19 H HETATM 1623 CB HIS A 6 -8.369 12.741 1.661 1.00 0.03 C HETATM 1624 CG HIS A 6 -7.604 12.196 2.829 1.00 0.00 C HETATM 1625 ND1 HIS A 6 -7.358 12.931 3.969 1.00 -0.33 N HETATM 1626 CE1 HIS A 6 -6.654 12.202 4.817 1.00 0.09 C HETATM 1627 NE2 HIS A 6 -6.429 11.022 4.267 1.00 -0.28 N HETATM 1628 CD2 HIS A 6 -7.009 10.995 3.021 1.00 0.03 C HETATM 1629 H7 HIS A 6 -6.993 10.163 2.319 1.00 0.07 H HETATM 1630 H9 HIS A 6 -5.905 10.249 4.701 1.00 0.24 H HETATM 1631 H8 HIS A 6 -6.316 12.520 5.802 1.00 0.12 H HETATM 1632 H5 HIS A 6 -7.886 13.675 1.339 1.00 0.05 H HETATM 1633 H6 HIS A 6 -8.324 12.004 0.845 1.00 0.05 H HETATM 1634 H4 HIS A 6 -9.902 13.785 2.765 1.00 0.11 H HETATM 1635 H1 HIS A 6 -10.116 11.440 3.230 1.00 0.20 H HETATM 1636 H2 HIS A 6 -10.527 11.115 1.670 1.00 0.20 H HETATM 1637 H3 HIS A 6 -11.522 12.030 2.610 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1499 1500 1635 1636 1637 CONECT 1500 1499 1501 1623 1634 CONECT 1501 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 1504 1622 CONECT 1504 1503 1505 1603 1621 CONECT 1505 1504 1506 1507 CONECT 1506 1505 CONECT 1507 1505 1508 1602 CONECT 1508 1507 1509 1592 1601 CONECT 1509 1508 1510 1511 CONECT 1510 1509 CONECT 1511 1509 1512 1591 CONECT 1512 1511 1513 1579 1590 CONECT 1513 1512 1514 1515 CONECT 1514 1513 CONECT 1515 1513 1516 1578 CONECT 1516 1515 1517 1573 1577 CONECT 1517 1516 1518 1519 CONECT 1518 1517 CONECT 1519 1517 1520 1572 CONECT 1520 1519 1521 1561 1571 CONECT 1521 1520 1522 1523 CONECT 1522 1521 CONECT 1523 1521 1524 1560 CONECT 1524 1523 1525 1553 1559 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 1528 1552 CONECT 1528 1527 1529 1546 1551 CONECT 1529 1528 1530 1531 CONECT 1530 1529 CONECT 1531 1529 1532 1538 CONECT 1532 1531 1533 1536 1545 CONECT 1533 1532 1534 1535 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1532 1537 1543 1544 CONECT 1537 1536 1538 1541 1542 CONECT 1538 1531 1537 1539 1540 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1537 CONECT 1542 1537 CONECT 1543 1536 CONECT 1544 1536 CONECT 1545 1532 CONECT 1546 1528 1547 1549 1550 CONECT 1547 1546 1548 CONECT 1548 1547 CONECT 1549 1546 CONECT 1550 1546 CONECT 1551 1528 CONECT 1552 1527 CONECT 1553 1524 1554 1557 1558 CONECT 1554 1553 1555 1556 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1553 CONECT 1558 1553 CONECT 1559 1524 CONECT 1560 1523 CONECT 1561 1520 1562 1566 1570 CONECT 1562 1561 1563 1564 1565 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1562 CONECT 1566 1561 1567 1568 1569 CONECT 1567 1566 CONECT 1568 1566 CONECT 1569 1566 CONECT 1570 1561 CONECT 1571 1520 CONECT 1572 1519 CONECT 1573 1516 1574 1575 1576 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1573 CONECT 1577 1516 CONECT 1578 1515 CONECT 1579 1512 1580 1588 1589 CONECT 1580 1579 1581 1586 1587 CONECT 1581 1580 1582 CONECT 1582 1581 1583 1584 1585 CONECT 1583 1582 CONECT 1584 1582 CONECT 1585 1582 CONECT 1586 1580 CONECT 1587 1580 CONECT 1588 1579 CONECT 1589 1579 CONECT 1590 1512 CONECT 1591 1511 CONECT 1592 1508 1593 1599 1600 CONECT 1593 1592 1594 1597 1598 CONECT 1594 1593 1595 1596 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1593 CONECT 1598 1593 CONECT 1599 1592 CONECT 1600 1592 CONECT 1601 1508 CONECT 1602 1507 CONECT 1603 1504 1604 1619 1620 CONECT 1604 1603 1605 1617 1618 CONECT 1605 1604 1606 1615 1616 CONECT 1606 1605 1607 1614 CONECT 1607 1606 1608 1611 CONECT 1608 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 CONECT 1611 1607 1612 1613 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1606 CONECT 1615 1605 CONECT 1616 1605 CONECT 1617 1604 CONECT 1618 1604 CONECT 1619 1603 CONECT 1620 1603 CONECT 1621 1504 CONECT 1622 1503 CONECT 1623 1500 1624 1632 1633 CONECT 1624 1623 1625 1628 CONECT 1625 1624 1626 CONECT 1626 1625 1627 1631 CONECT 1627 1626 1628 1630 CONECT 1628 1624 1627 1629 CONECT 1629 1628 CONECT 1630 1627 CONECT 1631 1626 CONECT 1632 1623 CONECT 1633 1623 CONECT 1634 1500 CONECT 1635 1499 CONECT 1636 1499 CONECT 1637 1499 MASTER 0 0 0 0 0 0 0 0 1636 1 143 8 END
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12-mer
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Entry Information
PDB ID
1x8s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Par-6 PDZ domain
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=8uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
(2004) Nat.Struct.Mol.Biol. Vol. 11: pp. 1122-1127
Ligand Properties
Formula
C
4
2
H
7
0
N
1
4
O
1
4
S
2
Molecular Weight
1059.220
Exact Mass
1058.460
No. of atoms
142
No. of bonds
143
Polar Surface Area
522.34
LOGP Value
-0.13 (
Computed with XLOGP3
)
-3.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 2
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)N1CCC[C@H]1C(=O)O)CS)CC(=O)O)C(C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)[NH3+])CCC[NH+]=C(N)N)CCC(=O)O
InChI String
InChI=1S/C42H68N14O14S2/c1-20(2)32(39(67)53-27(16-31(59)60)38(66)54-28(18-71)40(68)56-13-6-8-29(56)41(69)70)55-33(61)21(3)49-35(63)26(11-14-72-4)52-37(65)25(9-10-30(57)58)51-36(64)24(7-5-12-47-42(44)45)50-34(62)23(43)15-22-17-46-19-48-22/h17,19-21,23-29,32,71H,5-16,18,43H2,1-4H3,(H,46,48)(H,49,63)(H,50,62)(H,51,64)(H,52,65)(H,53,67)(H,54,66)(H,55,61)(H,57,58)(H,59,60)(H,69,70)(H4,44,45,47)/p+2/t21-,23-,24-,25-,26-,27-,28-,29-,32-/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O97111
Entrez Gene ID
NCBI Entrez Gene ID:
32752
ASD
Information of known allosteric effects of PDB entries
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