Browse entries in the PDBbind-CN Database
HEADER 6ARN_COMPLEX COMPND 6ARN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 PHE SER CYS ASN VAL ASP GLY GLY SER SER ILE GLY ALA SEQRES 2 A 109 GLY THR THR SER VAL TYR VAL ASN LEU ASP PRO VAL ILE SEQRES 3 A 109 GLN PRO GLY GLN ASN LEU VAL VAL ASP LEU SER GLN HIS SEQRES 4 A 109 ILE SER CYS TRP ASN ASP TYR GLY GLY TRP TYR ASP THR SEQRES 5 A 109 ASP HIS ILE ASN LEU VAL GLN GLY SER ALA PHE ALA GLY SEQRES 6 A 109 SER LEU GLN SER TYR LYS GLY SER LEU TYR TRP ASN ASN SEQRES 7 A 109 VAL THR TYR PRO PHE PRO LEU THR THR ASN THR ASN VAL SEQRES 8 A 109 LEU ASP ILE GLY ASP LYS THR PRO MET PRO LEU PRO LEU SEQRES 9 A 109 LYS LEU TYR ILE THR SEQRES 1 A 41 GLY VAL VAL ILE LYS ALA GLY GLU VAL ILE ALA ARG ILE SEQRES 2 A 41 HIS MET TYR LYS ILE ALA THR LEU GLY SER GLY ASN PRO SEQRES 3 A 41 ARG ASN PHE THR TRP ASN ILE ILE SER ASN ASN SER VAL SEQRES 4 A 41 VAL MET HET BQY A 323 38 SSBOND 1 CYS A 3 CYS A 42 ATOM 1 N PHE A 1 2.439 245.158 6.506 1.00 15.42 N ATOM 2 CA PHE A 1 2.257 244.922 7.936 1.00 13.20 C ATOM 3 C PHE A 1 2.161 246.251 8.651 1.00 12.72 C ATOM 4 O PHE A 1 2.976 247.141 8.418 1.00 15.26 O ATOM 5 CB PHE A 1 3.425 244.108 8.499 1.00 14.62 C ATOM 6 CG PHE A 1 3.349 243.891 9.984 1.00 13.32 C ATOM 7 CD1 PHE A 1 4.131 244.640 10.856 1.00 14.62 C ATOM 8 CD2 PHE A 1 2.494 242.942 10.508 1.00 12.62 C ATOM 9 CE1 PHE A 1 4.060 244.443 12.223 1.00 13.73 C ATOM 10 CE2 PHE A 1 2.413 242.741 11.875 1.00 12.30 C ATOM 11 CZ PHE A 1 3.213 243.485 12.732 1.00 12.88 C ATOM 12 HN3 PHE A 1 3.313 245.701 6.354 1.00 0.00 H ATOM 13 HN2 PHE A 1 1.628 245.695 6.138 1.00 0.00 H ATOM 14 HN1 PHE A 1 2.505 244.246 6.011 1.00 0.00 H ATOM 15 N SER A 2 1.167 246.395 9.518 1.00 13.56 N ATOM 16 CA SER A 2 0.982 247.641 10.241 1.00 13.27 C ATOM 17 C SER A 2 0.494 247.371 11.660 1.00 14.15 C ATOM 18 O SER A 2 -0.088 246.322 11.939 1.00 13.24 O ATOM 19 CB SER A 2 -0.025 248.541 9.526 1.00 17.96 C ATOM 20 OG SER A 2 0.364 248.801 8.189 1.00 18.07 O ATOM 21 HG SER A 2 0.427 247.947 7.693 1.00 0.00 H ATOM 22 H SER A 2 0.511 245.605 9.682 1.00 0.00 H ATOM 23 N CYS A 3 0.743 248.326 12.547 1.00 13.40 N ATOM 24 CA CYS A 3 0.247 248.266 13.915 1.00 13.98 C ATOM 25 C CYS A 3 -0.379 249.596 14.286 1.00 13.85 C ATOM 26 O CYS A 3 -0.185 250.598 13.596 1.00 16.76 O ATOM 27 CB CYS A 3 1.398 247.993 14.892 1.00 13.89 C ATOM 28 SG CYS A 3 2.361 246.509 14.550 1.00 14.33 S ATOM 29 H CYS A 3 1.312 249.146 12.255 1.00 0.00 H ATOM 30 N ASN A 4 -1.114 249.610 15.386 1.00 14.79 N ATOM 31 CA ASN A 4 -1.483 250.870 16.008 1.00 15.79 C ATOM 32 C ASN A 4 -1.482 250.763 17.522 1.00 15.20 C ATOM 33 O ASN A 4 -1.375 249.668 18.079 1.00 16.89 O ATOM 34 CB ASN A 4 -2.806 251.438 15.463 1.00 19.91 C ATOM 35 CG ASN A 4 -3.997 250.513 15.675 1.00 18.25 C ATOM 36 OD1 ASN A 4 -3.913 249.482 16.339 1.00 17.48 O ATOM 37 ND2 ASN A 4 -5.131 250.899 15.100 1.00 22.48 N ATOM 38 HD22 ASN A 4 -5.160 251.779 14.546 1.00 0.00 H ATOM 39 HD21 ASN A 4 -5.990 250.321 15.204 1.00 0.00 H ATOM 40 H ASN A 4 -1.430 248.713 15.808 1.00 0.00 H ATOM 41 N VAL A 5 -1.578 251.914 18.176 1.00 15.04 N ATOM 42 CA VAL A 5 -1.595 251.987 19.624 1.00 14.67 C ATOM 43 C VAL A 5 -2.878 252.671 20.038 1.00 15.11 C ATOM 44 O VAL A 5 -3.187 253.768 19.562 1.00 18.12 O ATOM 45 CB VAL A 5 -0.395 252.799 20.154 1.00 15.11 C ATOM 46 CG1 VAL A 5 -0.447 252.900 21.671 1.00 17.20 C ATOM 47 CG2 VAL A 5 0.917 252.173 19.691 1.00 17.06 C ATOM 48 H VAL A 5 -1.643 252.796 17.629 1.00 0.00 H ATOM 49 N ASP A 6 -3.626 252.009 20.908 1.00 14.78 N ATOM 50 CA ASP A 6 -4.911 252.535 21.359 1.00 15.43 C ATOM 51 C ASP A 6 -5.794 252.937 20.181 1.00 18.24 C ATOM 52 O ASP A 6 -6.460 253.971 20.219 1.00 19.18 O ATOM 53 CB ASP A 6 -4.701 253.723 22.301 1.00 17.10 C ATOM 54 CG ASP A 6 -3.999 253.328 23.579 1.00 20.47 C ATOM 55 OD1 ASP A 6 -4.068 252.135 23.939 1.00 20.00 O ATOM 56 OD2 ASP A 6 -3.382 254.204 24.223 1.00 20.88 O ATOM 57 H ASP A 6 -3.291 251.096 21.277 1.00 0.00 H ATOM 58 N GLY A 7 -5.776 252.122 19.130 1.00 15.47 N ATOM 59 CA GLY A 7 -6.644 252.332 17.981 1.00 18.82 C ATOM 60 C GLY A 7 -6.295 253.533 17.118 1.00 21.59 C ATOM 61 O GLY A 7 -7.130 254.008 16.338 1.00 19.77 O ATOM 62 H GLY A 7 -5.123 251.312 19.129 1.00 0.00 H ATOM 63 N GLY A 8 -5.062 254.018 17.246 1.00 20.79 N ATOM 64 CA GLY A 8 -4.616 255.197 16.522 1.00 20.32 C ATOM 65 C GLY A 8 -4.222 254.958 15.078 1.00 19.61 C ATOM 66 O GLY A 8 -4.574 253.937 14.486 1.00 20.84 O ATOM 67 H GLY A 8 -4.396 253.538 17.885 1.00 0.00 H ATOM 68 N SER A 9 -3.491 255.907 14.503 1.00 24.12 N ATOM 69 CA SER A 9 -3.084 255.810 13.107 1.00 24.22 C ATOM 70 C SER A 9 -2.065 254.693 12.891 1.00 22.08 C ATOM 71 O SER A 9 -1.334 254.310 13.811 1.00 20.50 O ATOM 72 CB SER A 9 -2.537 257.149 12.605 1.00 29.58 C ATOM 73 OG SER A 9 -1.470 257.601 13.418 1.00 33.02 O ATOM 74 HG SER A 9 -1.791 257.718 14.347 1.00 0.00 H ATOM 75 H SER A 9 -3.203 256.736 15.061 1.00 0.00 H ATOM 76 N SER A 10 -2.027 254.177 11.669 1.00 20.99 N ATOM 77 CA SER A 10 -1.188 253.032 11.333 1.00 19.68 C ATOM 78 C SER A 10 0.299 253.329 11.465 1.00 20.83 C ATOM 79 O SER A 10 0.748 254.445 11.196 1.00 22.39 O ATOM 80 CB SER A 10 -1.505 252.536 9.920 1.00 21.36 C ATOM 81 OG SER A 10 -2.809 251.984 9.876 1.00 29.02 O ATOM 82 HG SER A 10 -3.001 251.667 8.958 1.00 0.00 H ATOM 83 H SER A 10 -2.616 254.604 10.925 1.00 0.00 H ATOM 84 N ILE A 11 1.048 252.314 11.888 1.00 17.22 N ATOM 85 CA ILE A 11 2.492 252.403 12.074 1.00 18.40 C ATOM 86 C ILE A 11 3.160 251.289 11.274 1.00 18.00 C ATOM 87 O ILE A 11 2.802 250.123 11.412 1.00 16.00 O ATOM 88 CB ILE A 11 2.866 252.241 13.560 1.00 16.51 C ATOM 89 CG1 ILE A 11 2.071 253.225 14.418 1.00 17.89 C ATOM 90 CG2 ILE A 11 4.375 252.416 13.760 1.00 17.42 C ATOM 91 CD1 ILE A 11 2.065 252.896 15.898 1.00 17.27 C ATOM 92 H ILE A 11 0.579 251.409 12.097 1.00 0.00 H ATOM 93 N GLY A 12 4.134 251.644 10.442 1.00 18.35 N ATOM 94 CA GLY A 12 4.808 250.658 9.616 1.00 17.84 C ATOM 95 C GLY A 12 6.222 250.331 10.058 1.00 17.55 C ATOM 96 O GLY A 12 6.822 249.387 9.553 1.00 17.44 O ATOM 97 H GLY A 12 4.418 252.643 10.382 1.00 0.00 H ATOM 98 N ALA A 13 6.741 251.117 10.998 1.00 16.67 N ATOM 99 CA ALA A 13 8.105 250.964 11.507 1.00 15.38 C ATOM 100 C ALA A 13 8.392 252.084 12.493 1.00 15.95 C ATOM 101 O ALA A 13 7.621 253.037 12.611 1.00 18.68 O ATOM 102 CB ALA A 13 9.120 251.004 10.365 1.00 18.46 C ATOM 103 H ALA A 13 6.149 251.877 11.390 1.00 0.00 H ATOM 104 N GLY A 14 9.512 251.977 13.194 1.00 16.95 N ATOM 105 CA GLY A 14 9.973 253.065 14.035 1.00 18.70 C ATOM 106 C GLY A 14 9.566 252.978 15.490 1.00 17.84 C ATOM 107 O GLY A 14 9.045 251.959 15.945 1.00 16.16 O ATOM 108 H GLY A 14 10.068 251.100 13.140 1.00 0.00 H ATOM 109 N THR A 15 9.783 254.068 16.218 1.00 17.58 N ATOM 110 CA THR A 15 9.533 254.108 17.649 1.00 18.28 C ATOM 111 C THR A 15 8.227 254.809 17.974 1.00 16.24 C ATOM 112 O THR A 15 7.940 255.885 17.452 1.00 20.71 O ATOM 113 CB THR A 15 10.685 254.832 18.368 1.00 17.54 C ATOM 114 OG1 THR A 15 11.916 254.185 18.038 1.00 20.14 O ATOM 115 CG2 THR A 15 10.490 254.808 19.874 1.00 19.28 C ATOM 116 HG1 THR A 15 12.055 254.223 17.059 1.00 0.00 H ATOM 117 H THR A 15 10.144 254.922 15.747 1.00 0.00 H ATOM 118 N THR A 16 7.442 254.192 18.848 1.00 15.22 N ATOM 119 CA THR A 16 6.153 254.737 19.247 1.00 16.26 C ATOM 120 C THR A 16 5.986 254.634 20.756 1.00 16.49 C ATOM 121 O THR A 16 6.312 253.607 21.352 1.00 15.63 O ATOM 122 CB THR A 16 4.988 253.966 18.596 1.00 15.96 C ATOM 123 OG1 THR A 16 5.171 253.902 17.176 1.00 18.17 O ATOM 124 CG2 THR A 16 3.654 254.647 18.906 1.00 18.33 C ATOM 125 HG1 THR A 16 5.200 254.820 16.806 1.00 0.00 H ATOM 126 H THR A 16 7.758 253.291 19.261 1.00 0.00 H ATOM 127 N SER A 17 5.468 255.692 21.370 1.00 15.63 N ATOM 128 CA SER A 17 5.139 255.667 22.783 1.00 18.11 C ATOM 129 C SER A 17 3.885 254.838 23.031 1.00 16.61 C ATOM 130 O SER A 17 2.924 254.899 22.259 1.00 18.22 O ATOM 131 CB SER A 17 4.914 257.085 23.306 1.00 18.68 C ATOM 132 OG SER A 17 6.082 257.867 23.144 1.00 20.26 O ATOM 133 HG SER A 17 6.827 257.453 23.648 1.00 0.00 H ATOM 134 H SER A 17 5.294 256.560 20.824 1.00 0.00 H ATOM 135 N VAL A 18 3.894 254.071 24.113 1.00 15.44 N ATOM 136 CA VAL A 18 2.741 253.286 24.522 1.00 15.30 C ATOM 137 C VAL A 18 2.468 253.599 25.984 1.00 15.94 C ATOM 138 O VAL A 18 3.245 253.216 26.859 1.00 17.03 O ATOM 139 CB VAL A 18 2.998 251.776 24.367 1.00 14.35 C ATOM 140 CG1 VAL A 18 1.759 250.980 24.767 1.00 15.28 C ATOM 141 CG2 VAL A 18 3.414 251.442 22.935 1.00 14.92 C ATOM 142 H VAL A 18 4.758 254.030 24.690 1.00 0.00 H ATOM 143 N TYR A 19 1.377 254.314 26.240 1.00 17.62 N ATOM 144 CA TYR A 19 1.044 254.758 27.588 1.00 16.61 C ATOM 145 C TYR A 19 0.226 253.720 28.331 1.00 19.03 C ATOM 146 O TYR A 19 -0.750 253.188 27.799 1.00 17.18 O ATOM 147 CB TYR A 19 0.297 256.091 27.540 1.00 21.90 C ATOM 148 CG TYR A 19 1.161 257.220 27.050 1.00 22.26 C ATOM 149 CD1 TYR A 19 1.840 258.029 27.946 1.00 23.57 C ATOM 150 CD2 TYR A 19 1.317 257.465 25.693 1.00 24.24 C ATOM 151 CE1 TYR A 19 2.645 259.058 27.510 1.00 25.57 C ATOM 152 CE2 TYR A 19 2.124 258.498 25.245 1.00 24.32 C ATOM 153 CZ TYR A 19 2.784 259.289 26.162 1.00 27.49 C ATOM 154 OH TYR A 19 3.592 260.322 25.740 1.00 32.44 O ATOM 155 HH TYR A 19 3.981 260.778 26.528 1.00 0.00 H ATOM 156 H TYR A 19 0.742 254.564 25.455 1.00 0.00 H ATOM 157 N VAL A 20 0.627 253.441 29.565 1.00 17.41 N ATOM 158 CA VAL A 20 -0.003 252.402 30.360 1.00 18.48 C ATOM 159 C VAL A 20 -0.341 252.889 31.769 1.00 22.86 C ATOM 160 O VAL A 20 0.379 253.705 32.350 1.00 22.94 O ATOM 161 CB VAL A 20 0.904 251.165 30.465 1.00 17.47 C ATOM 162 CG1 VAL A 20 1.233 250.630 29.077 1.00 18.57 C ATOM 163 CG2 VAL A 20 2.186 251.503 31.221 1.00 20.98 C ATOM 164 H VAL A 20 1.415 253.982 29.974 1.00 0.00 H ATOM 165 N ASN A 21 -1.441 252.383 32.312 1.00 22.32 N ATOM 166 CA ASN A 21 -1.783 252.636 33.704 1.00 23.67 C ATOM 167 C ASN A 21 -1.093 251.609 34.593 1.00 28.85 C ATOM 168 O ASN A 21 -1.174 250.407 34.341 1.00 33.55 O ATOM 169 CB ASN A 21 -3.299 252.582 33.910 1.00 25.18 C ATOM 170 CG ASN A 21 -4.035 253.656 33.132 1.00 24.63 C ATOM 171 OD1 ASN A 21 -3.514 254.749 32.906 1.00 30.98 O ATOM 172 ND2 ASN A 21 -5.259 253.348 32.718 1.00 28.41 N ATOM 173 HD22 ASN A 21 -5.660 252.412 32.931 1.00 0.00 H ATOM 174 HD21 ASN A 21 -5.816 254.042 32.181 1.00 0.00 H ATOM 175 H ASN A 21 -2.071 251.794 31.731 1.00 0.00 H ATOM 176 N LEU A 22 -0.401 252.084 35.622 1.00 26.50 N ATOM 177 CA LEU A 22 0.286 251.197 36.553 1.00 27.60 C ATOM 178 C LEU A 22 -0.339 251.307 37.937 1.00 27.57 C ATOM 179 O LEU A 22 -0.992 252.303 38.249 1.00 27.68 O ATOM 180 CB LEU A 22 1.774 251.537 36.631 1.00 26.31 C ATOM 181 CG LEU A 22 2.617 251.366 35.364 1.00 22.75 C ATOM 182 CD1 LEU A 22 4.082 251.671 35.645 1.00 27.23 C ATOM 183 CD2 LEU A 22 2.448 249.962 34.804 1.00 29.51 C ATOM 184 H LEU A 22 -0.348 253.112 35.767 1.00 0.00 H ATOM 185 N ASP A 23 -0.143 250.281 38.760 1.00 28.74 N ATOM 186 CA ASP A 23 -0.568 250.340 40.153 1.00 30.99 C ATOM 187 C ASP A 23 0.091 251.535 40.820 1.00 26.33 C ATOM 188 O ASP A 23 1.319 251.631 40.860 1.00 26.60 O ATOM 189 CB ASP A 23 -0.193 249.057 40.897 1.00 35.57 C ATOM 190 CG ASP A 23 -1.339 248.069 40.969 1.00 39.59 C ATOM 191 OD1 ASP A 23 -2.224 248.249 41.832 1.00 47.76 O ATOM 192 OD2 ASP A 23 -1.351 247.109 40.172 1.00 43.96 O ATOM 193 H ASP A 23 0.322 249.422 38.404 1.00 0.00 H ATOM 194 N PRO A 24 -0.725 252.456 41.347 1.00 30.08 N ATOM 195 CA PRO A 24 -0.214 253.694 41.942 1.00 28.66 C ATOM 196 C PRO A 24 0.622 253.439 43.194 1.00 24.00 C ATOM 197 O PRO A 24 1.477 254.254 43.534 1.00 24.81 O ATOM 198 CB PRO A 24 -1.492 254.465 42.295 1.00 31.68 C ATOM 199 CG PRO A 24 -2.545 253.423 42.422 1.00 34.00 C ATOM 200 CD PRO A 24 -2.193 252.367 41.420 1.00 28.95 C ATOM 201 N VAL A 25 0.375 252.321 43.867 1.00 28.39 N ATOM 202 CA VAL A 25 1.108 251.992 45.085 1.00 31.30 C ATOM 203 C VAL A 25 1.611 250.558 45.042 1.00 33.47 C ATOM 204 O VAL A 25 0.882 249.643 44.656 1.00 40.57 O ATOM 205 CB VAL A 25 0.235 252.177 46.340 1.00 34.52 C ATOM 206 CG1 VAL A 25 1.062 251.947 47.600 1.00 33.73 C ATOM 207 CG2 VAL A 25 -0.389 253.563 46.350 1.00 33.51 C ATOM 208 H VAL A 25 -0.355 251.667 43.519 1.00 0.00 H ATOM 209 N ILE A 26 2.864 250.364 45.434 1.00 34.34 N ATOM 210 CA ILE A 26 3.440 249.030 45.469 1.00 39.69 C ATOM 211 C ILE A 26 4.327 248.833 46.690 1.00 39.41 C ATOM 212 O ILE A 26 4.945 249.773 47.185 1.00 37.10 O ATOM 213 CB ILE A 26 4.253 248.722 44.195 1.00 36.63 C ATOM 214 CG1 ILE A 26 5.434 249.686 44.064 1.00 34.88 C ATOM 215 CG2 ILE A 26 3.360 248.790 42.966 1.00 37.38 C ATOM 216 CD1 ILE A 26 6.352 249.372 42.901 1.00 35.52 C ATOM 217 H ILE A 26 3.443 251.179 45.721 1.00 0.00 H ATOM 218 N GLN A 27 4.367 247.601 47.178 1.00 45.15 N ATOM 219 CA GLN A 27 5.273 247.231 48.250 1.00 41.29 C ATOM 220 C GLN A 27 6.321 246.309 47.644 1.00 44.02 C ATOM 221 O GLN A 27 6.048 245.641 46.646 1.00 47.76 O ATOM 222 CB GLN A 27 4.508 246.539 49.376 1.00 38.25 C ATOM 223 CG GLN A 27 3.346 247.363 49.931 1.00 31.43 C ATOM 224 CD GLN A 27 3.787 248.395 50.953 1.00 35.46 C ATOM 225 OE1 GLN A 27 4.720 248.165 51.726 1.00 38.43 O ATOM 226 NE2 GLN A 27 3.113 249.539 50.966 1.00 38.41 N ATOM 227 HE22 GLN A 27 2.333 249.690 50.295 1.00 0.00 H ATOM 228 HE21 GLN A 27 3.366 250.284 51.647 1.00 0.00 H ATOM 229 H GLN A 27 3.731 246.879 46.782 1.00 0.00 H ATOM 230 N PRO A 28 7.524 246.274 48.239 1.00 46.09 N ATOM 231 CA PRO A 28 8.688 245.569 47.685 1.00 40.10 C ATOM 232 C PRO A 28 8.408 244.132 47.237 1.00 45.72 C ATOM 233 O PRO A 28 9.095 243.629 46.346 1.00 45.14 O ATOM 234 CB PRO A 28 9.686 245.585 48.844 1.00 44.03 C ATOM 235 CG PRO A 28 9.337 246.812 49.611 1.00 40.83 C ATOM 236 CD PRO A 28 7.839 246.935 49.518 1.00 41.83 C ATOM 237 N GLY A 29 7.415 243.485 47.839 1.00 42.29 N ATOM 238 CA GLY A 29 7.045 242.137 47.443 1.00 45.46 C ATOM 239 C GLY A 29 6.186 242.108 46.192 1.00 49.80 C ATOM 240 O GLY A 29 6.076 241.078 45.525 1.00 50.73 O ATOM 241 H GLY A 29 6.893 243.952 48.608 1.00 0.00 H ATOM 242 N GLN A 30 5.586 243.248 45.865 1.00 50.35 N ATOM 243 CA GLN A 30 4.627 243.330 44.767 1.00 45.87 C ATOM 244 C GLN A 30 5.284 243.533 43.402 1.00 42.07 C ATOM 245 O GLN A 30 6.182 244.364 43.248 1.00 40.84 O ATOM 246 CB GLN A 30 3.619 244.454 45.030 1.00 46.42 C ATOM 247 H GLN A 30 5.806 244.108 46.408 1.00 0.00 H ATOM 248 N ASN A 31 4.827 242.772 42.412 1.00 36.12 N ATOM 249 CA ASN A 31 5.273 242.977 41.037 1.00 36.35 C ATOM 250 C ASN A 31 4.155 243.511 40.135 1.00 33.58 C ATOM 251 O ASN A 31 3.010 243.063 40.211 1.00 37.78 O ATOM 252 CB ASN A 31 5.913 241.706 40.459 1.00 36.91 C ATOM 253 CG ASN A 31 4.910 240.788 39.791 1.00 40.19 C ATOM 254 OD1 ASN A 31 3.866 240.466 40.356 1.00 47.68 O ATOM 255 ND2 ASN A 31 5.228 240.358 38.575 1.00 39.22 N ATOM 256 HD22 ASN A 31 6.122 240.656 38.135 1.00 0.00 H ATOM 257 HD21 ASN A 31 4.583 239.723 38.063 1.00 0.00 H ATOM 258 H ASN A 31 4.141 242.019 42.620 1.00 0.00 H ATOM 259 N LEU A 32 4.499 244.485 39.299 1.00 26.01 N ATOM 260 CA LEU A 32 3.533 245.169 38.452 1.00 24.58 C ATOM 261 C LEU A 32 3.318 244.428 37.150 1.00 20.97 C ATOM 262 O LEU A 32 4.277 244.031 36.497 1.00 19.93 O ATOM 263 CB LEU A 32 4.019 246.580 38.121 1.00 28.13 C ATOM 264 CG LEU A 32 4.119 247.626 39.228 1.00 34.80 C ATOM 265 CD1 LEU A 32 4.683 248.913 38.655 1.00 33.06 C ATOM 266 CD2 LEU A 32 2.762 247.871 39.866 1.00 30.63 C ATOM 267 H LEU A 32 5.498 244.770 39.248 1.00 0.00 H ATOM 268 N VAL A 33 2.058 244.260 36.767 1.00 17.20 N ATOM 269 CA VAL A 33 1.727 243.672 35.477 1.00 20.06 C ATOM 270 C VAL A 33 1.401 244.776 34.479 1.00 19.10 C ATOM 271 O VAL A 33 0.596 245.665 34.759 1.00 22.26 O ATOM 272 CB VAL A 33 0.522 242.722 35.579 1.00 23.66 C ATOM 273 CG1 VAL A 33 0.222 242.103 34.217 1.00 24.51 C ATOM 274 CG2 VAL A 33 0.783 241.643 36.618 1.00 26.59 C ATOM 275 H VAL A 33 1.290 244.555 37.403 1.00 0.00 H ATOM 276 N VAL A 34 2.033 244.722 33.315 1.00 15.97 N ATOM 277 CA VAL A 34 1.742 245.669 32.257 1.00 15.62 C ATOM 278 C VAL A 34 1.248 244.889 31.051 1.00 15.28 C ATOM 279 O VAL A 34 2.031 244.292 30.315 1.00 14.80 O ATOM 280 CB VAL A 34 2.982 246.490 31.869 1.00 18.74 C ATOM 281 CG1 VAL A 34 2.595 247.598 30.899 1.00 21.11 C ATOM 282 CG2 VAL A 34 3.663 247.058 33.119 1.00 19.04 C ATOM 283 H VAL A 34 2.751 243.986 33.158 1.00 0.00 H ATOM 284 N ASP A 35 -0.063 244.888 30.864 1.00 14.72 N ATOM 285 CA ASP A 35 -0.681 244.133 29.791 1.00 13.83 C ATOM 286 C ASP A 35 -0.698 244.980 28.522 1.00 15.35 C ATOM 287 O ASP A 35 -1.549 245.857 28.355 1.00 16.10 O ATOM 288 CB ASP A 35 -2.109 243.760 30.202 1.00 13.48 C ATOM 289 CG ASP A 35 -2.792 242.870 29.194 1.00 19.04 C ATOM 290 OD1 ASP A 35 -2.219 242.623 28.110 1.00 15.24 O ATOM 291 OD2 ASP A 35 -3.923 242.423 29.490 1.00 19.48 O ATOM 292 H ASP A 35 -0.666 245.444 31.504 1.00 0.00 H ATOM 293 N LEU A 36 0.246 244.718 27.624 1.00 12.69 N ATOM 294 CA LEU A 36 0.380 245.516 26.418 1.00 11.38 C ATOM 295 C LEU A 36 -0.619 245.103 25.341 1.00 11.61 C ATOM 296 O LEU A 36 -0.796 245.811 24.358 1.00 12.79 O ATOM 297 CB LEU A 36 1.821 245.465 25.897 1.00 13.85 C ATOM 298 CG LEU A 36 2.838 246.097 26.863 1.00 14.44 C ATOM 299 CD1 LEU A 36 4.270 245.983 26.343 1.00 15.86 C ATOM 300 CD2 LEU A 36 2.490 247.550 27.143 1.00 17.23 C ATOM 301 H LEU A 36 0.901 243.927 27.788 1.00 0.00 H ATOM 302 N SER A 37 -1.292 243.975 25.553 1.00 12.85 N ATOM 303 CA SER A 37 -2.349 243.564 24.629 1.00 14.07 C ATOM 304 C SER A 37 -3.484 244.574 24.662 1.00 12.29 C ATOM 305 O SER A 37 -4.276 244.664 23.726 1.00 13.81 O ATOM 306 CB SER A 37 -2.881 242.168 24.962 1.00 14.93 C ATOM 307 OG SER A 37 -3.799 242.192 26.058 1.00 14.02 O ATOM 308 HG SER A 37 -3.343 242.549 26.861 1.00 0.00 H ATOM 309 H SER A 37 -1.066 243.384 26.378 1.00 0.00 H ATOM 310 N GLN A 38 -3.574 245.327 25.751 1.00 12.96 N ATOM 311 CA GLN A 38 -4.608 246.350 25.874 1.00 13.80 C ATOM 312 C GLN A 38 -4.315 247.589 25.027 1.00 14.03 C ATOM 313 O GLN A 38 -5.171 248.465 24.906 1.00 16.39 O ATOM 314 CB GLN A 38 -4.791 246.737 27.349 1.00 16.44 C ATOM 315 CG GLN A 38 -5.379 245.610 28.190 1.00 17.55 C ATOM 316 CD GLN A 38 -5.653 246.011 29.627 1.00 22.44 C ATOM 317 OE1 GLN A 38 -6.018 247.153 29.909 1.00 30.67 O ATOM 318 NE2 GLN A 38 -5.484 245.064 30.546 1.00 23.02 N ATOM 319 HE22 GLN A 38 -5.174 244.113 30.262 1.00 0.00 H ATOM 320 HE21 GLN A 38 -5.662 245.275 31.549 1.00 0.00 H ATOM 321 H GLN A 38 -2.898 245.186 26.528 1.00 0.00 H ATOM 322 N HIS A 39 -3.122 247.663 24.429 1.00 12.67 N ATOM 323 CA HIS A 39 -2.719 248.870 23.709 1.00 13.01 C ATOM 324 C HIS A 39 -2.211 248.685 22.278 1.00 13.24 C ATOM 325 O HIS A 39 -2.481 249.515 21.413 1.00 17.80 O ATOM 326 CB HIS A 39 -1.672 249.643 24.518 1.00 13.86 C ATOM 327 CG HIS A 39 -2.125 249.984 25.900 1.00 15.48 C ATOM 328 ND1 HIS A 39 -2.995 251.019 26.162 1.00 20.15 N ATOM 329 CD2 HIS A 39 -1.857 249.404 27.094 1.00 15.70 C ATOM 330 CE1 HIS A 39 -3.228 251.076 27.461 1.00 19.69 C ATOM 331 NE2 HIS A 39 -2.554 250.105 28.048 1.00 18.76 N ATOM 332 H HIS A 39 -2.472 246.852 24.476 1.00 0.00 H ATOM 333 N ILE A 40 -1.449 247.624 22.031 1.00 13.65 N ATOM 334 CA ILE A 40 -0.812 247.453 20.729 1.00 12.84 C ATOM 335 C ILE A 40 -1.493 246.353 19.932 1.00 12.46 C ATOM 336 O ILE A 40 -1.661 245.240 20.427 1.00 13.18 O ATOM 337 CB ILE A 40 0.678 247.076 20.869 1.00 13.36 C ATOM 338 CG1 ILE A 40 1.377 247.980 21.894 1.00 13.06 C ATOM 339 CG2 ILE A 40 1.353 247.139 19.524 1.00 14.98 C ATOM 340 CD1 ILE A 40 2.792 247.542 22.242 1.00 15.24 C ATOM 341 H ILE A 40 -1.305 246.909 22.773 1.00 0.00 H ATOM 342 N SER A 41 -1.877 246.669 18.698 1.00 13.32 N ATOM 343 CA SER A 41 -2.464 245.681 17.804 1.00 12.16 C ATOM 344 C SER A 41 -1.803 245.774 16.448 1.00 13.22 C ATOM 345 O SER A 41 -1.391 246.854 16.022 1.00 16.31 O ATOM 346 CB SER A 41 -3.964 245.920 17.649 1.00 15.63 C ATOM 347 OG SER A 41 -4.613 245.773 18.883 1.00 16.37 O ATOM 348 HG SER A 41 -4.247 246.429 19.528 1.00 0.00 H ATOM 349 H SER A 41 -1.755 247.646 18.364 1.00 0.00 H ATOM 350 N CYS A 42 -1.687 244.641 15.763 1.00 12.53 N ATOM 351 CA CYS A 42 -1.077 244.634 14.442 1.00 13.95 C ATOM 352 C CYS A 42 -1.876 243.776 13.481 1.00 12.65 C ATOM 353 O CYS A 42 -2.650 242.919 13.899 1.00 12.83 O ATOM 354 CB CYS A 42 0.360 244.115 14.515 1.00 11.16 C ATOM 355 SG CYS A 42 1.444 245.043 15.637 1.00 14.44 S ATOM 356 H CYS A 42 -2.035 243.752 16.175 1.00 0.00 H ATOM 357 N TRP A 43 -1.664 243.993 12.187 1.00 13.83 N ATOM 358 CA TRP A 43 -2.407 243.254 11.173 1.00 12.22 C ATOM 359 C TRP A 43 -1.615 243.102 9.885 1.00 12.04 C ATOM 360 O TRP A 43 -0.634 243.812 9.627 1.00 13.37 O ATOM 361 CB TRP A 43 -3.768 243.916 10.883 1.00 13.89 C ATOM 362 CG TRP A 43 -3.639 245.325 10.405 1.00 14.53 C ATOM 363 CD1 TRP A 43 -3.555 245.748 9.114 1.00 15.29 C ATOM 364 CD2 TRP A 43 -3.542 246.499 11.220 1.00 13.65 C ATOM 365 NE1 TRP A 43 -3.428 247.115 9.069 1.00 16.18 N ATOM 366 CE2 TRP A 43 -3.409 247.600 10.352 1.00 15.73 C ATOM 367 CE3 TRP A 43 -3.557 246.728 12.600 1.00 13.98 C ATOM 368 CZ2 TRP A 43 -3.293 248.907 10.815 1.00 16.53 C ATOM 369 CZ3 TRP A 43 -3.439 248.027 13.055 1.00 13.29 C ATOM 370 CH2 TRP A 43 -3.309 249.100 12.167 1.00 16.17 C ATOM 371 HE1 TRP A 43 -3.358 247.688 8.204 1.00 0.00 H ATOM 372 H TRP A 43 -0.959 244.699 11.894 1.00 0.00 H ATOM 373 N ASN A 44 -2.056 242.146 9.084 1.00 12.70 N ATOM 374 CA ASN A 44 -1.533 241.939 7.757 1.00 12.37 C ATOM 375 C ASN A 44 -2.258 242.886 6.812 1.00 13.74 C ATOM 376 O ASN A 44 -3.482 243.013 6.883 1.00 13.73 O ATOM 377 CB ASN A 44 -1.785 240.490 7.360 1.00 14.14 C ATOM 378 CG ASN A 44 -1.168 240.142 6.044 1.00 12.17 C ATOM 379 OD1 ASN A 44 -1.693 240.513 4.995 1.00 13.27 O ATOM 380 ND2 ASN A 44 -0.048 239.425 6.077 1.00 13.58 N ATOM 381 HD22 ASN A 44 0.357 239.135 6.990 1.00 0.00 H ATOM 382 HD21 ASN A 44 0.422 239.154 5.190 1.00 0.00 H ATOM 383 H ASN A 44 -2.811 241.518 9.426 1.00 0.00 H ATOM 384 N ASP A 45 -1.522 243.555 5.933 1.00 13.68 N ATOM 385 CA ASP A 45 -2.127 244.609 5.126 1.00 15.97 C ATOM 386 C ASP A 45 -2.885 244.106 3.901 1.00 16.67 C ATOM 387 O ASP A 45 -3.604 244.880 3.272 1.00 20.86 O ATOM 388 CB ASP A 45 -1.101 245.684 4.750 1.00 15.46 C ATOM 389 CG ASP A 45 -0.884 246.687 5.863 1.00 17.16 C ATOM 390 OD1 ASP A 45 -1.844 247.388 6.244 1.00 19.61 O ATOM 391 OD2 ASP A 45 0.255 246.787 6.352 1.00 16.65 O ATOM 392 H ASP A 45 -0.514 243.328 5.820 1.00 0.00 H ATOM 393 N TYR A 46 -2.736 242.824 3.572 1.00 16.01 N ATOM 394 CA TYR A 46 -3.548 242.211 2.519 1.00 18.83 C ATOM 395 C TYR A 46 -4.700 241.392 3.084 1.00 18.92 C ATOM 396 O TYR A 46 -5.797 241.360 2.515 1.00 18.33 O ATOM 397 CB TYR A 46 -2.711 241.272 1.656 1.00 19.21 C ATOM 398 CG TYR A 46 -1.558 241.908 0.936 1.00 20.00 C ATOM 399 CD1 TYR A 46 -1.755 242.973 0.064 1.00 22.32 C ATOM 400 CD2 TYR A 46 -0.271 241.414 1.094 1.00 19.25 C ATOM 401 CE1 TYR A 46 -0.688 243.543 -0.609 1.00 23.61 C ATOM 402 CE2 TYR A 46 0.792 241.971 0.427 1.00 20.67 C ATOM 403 CZ TYR A 46 0.582 243.034 -0.420 1.00 23.28 C ATOM 404 OH TYR A 46 1.660 243.583 -1.077 1.00 26.96 O ATOM 405 HH TYR A 46 2.087 242.892 -1.643 1.00 0.00 H ATOM 406 H TYR A 46 -2.030 242.248 4.072 1.00 0.00 H ATOM 407 N GLY A 47 -4.441 240.712 4.193 1.00 15.58 N ATOM 408 CA GLY A 47 -5.342 239.696 4.690 1.00 14.69 C ATOM 409 C GLY A 47 -5.251 238.433 3.853 1.00 12.39 C ATOM 410 O GLY A 47 -4.488 238.357 2.890 1.00 14.21 O ATOM 411 H GLY A 47 -3.567 240.915 4.719 1.00 0.00 H ATOM 412 N GLY A 48 -6.011 237.421 4.241 1.00 13.43 N ATOM 413 CA GLY A 48 -6.111 236.209 3.453 1.00 16.74 C ATOM 414 C GLY A 48 -4.914 235.281 3.515 1.00 15.12 C ATOM 415 O GLY A 48 -4.863 234.299 2.787 1.00 17.00 O ATOM 416 H GLY A 48 -6.547 237.497 5.129 1.00 0.00 H ATOM 417 N TRP A 49 -3.954 235.569 4.395 1.00 14.57 N ATOM 418 CA TRP A 49 -2.757 234.733 4.518 1.00 15.08 C ATOM 419 C TRP A 49 -2.022 234.584 3.191 1.00 15.04 C ATOM 420 O TRP A 49 -1.523 233.516 2.852 1.00 17.88 O ATOM 421 CB TRP A 49 -3.111 233.375 5.133 1.00 14.67 C ATOM 422 CG TRP A 49 -3.683 233.587 6.493 1.00 14.08 C ATOM 423 CD1 TRP A 49 -4.990 233.796 6.816 1.00 13.67 C ATOM 424 CD2 TRP A 49 -2.945 233.699 7.710 1.00 12.01 C ATOM 425 NE1 TRP A 49 -5.116 234.007 8.170 1.00 13.86 N ATOM 426 CE2 TRP A 49 -3.872 233.950 8.740 1.00 12.62 C ATOM 427 CE3 TRP A 49 -1.587 233.601 8.031 1.00 14.21 C ATOM 428 CZ2 TRP A 49 -3.483 234.105 10.063 1.00 13.93 C ATOM 429 CZ3 TRP A 49 -1.206 233.743 9.342 1.00 13.75 C ATOM 430 CH2 TRP A 49 -2.147 233.999 10.344 1.00 13.49 C ATOM 431 HE1 TRP A 49 -6.008 234.181 8.676 1.00 0.00 H ATOM 432 H TRP A 49 -4.057 236.404 5.006 1.00 0.00 H ATOM 433 N TYR A 50 -1.956 235.685 2.452 1.00 16.98 N ATOM 434 CA TYR A 50 -1.295 235.700 1.155 1.00 18.08 C ATOM 435 C TYR A 50 0.218 235.961 1.265 1.00 22.21 C ATOM 436 O TYR A 50 1.037 235.197 0.746 1.00 23.55 O ATOM 437 CB TYR A 50 -1.969 236.729 0.253 1.00 18.63 C ATOM 438 CG TYR A 50 -1.159 237.054 -0.968 1.00 20.19 C ATOM 439 CD1 TYR A 50 -1.123 236.188 -2.050 1.00 26.40 C ATOM 440 CD2 TYR A 50 -0.419 238.225 -1.038 1.00 21.12 C ATOM 441 CE1 TYR A 50 -0.373 236.483 -3.170 1.00 31.41 C ATOM 442 CE2 TYR A 50 0.332 238.528 -2.150 1.00 27.07 C ATOM 443 CZ TYR A 50 0.351 237.655 -3.214 1.00 32.09 C ATOM 444 OH TYR A 50 1.103 237.958 -4.326 1.00 36.82 O ATOM 445 HH TYR A 50 1.009 237.234 -4.994 1.00 0.00 H ATOM 446 H TYR A 50 -2.388 236.561 2.809 1.00 0.00 H ATOM 447 N ASP A 51 0.580 237.047 1.938 1.00 18.31 N ATOM 448 CA ASP A 51 1.975 237.349 2.240 1.00 16.93 C ATOM 449 C ASP A 51 2.061 237.471 3.758 1.00 18.61 C ATOM 450 O ASP A 51 1.897 238.552 4.310 1.00 17.81 O ATOM 451 CB ASP A 51 2.399 238.651 1.558 1.00 15.61 C ATOM 452 CG ASP A 51 3.870 238.956 1.731 1.00 17.93 C ATOM 453 OD1 ASP A 51 4.603 238.091 2.252 1.00 17.05 O ATOM 454 OD2 ASP A 51 4.292 240.063 1.325 1.00 17.95 O ATOM 455 H ASP A 51 -0.157 237.706 2.261 1.00 0.00 H ATOM 456 N THR A 52 2.272 236.343 4.426 1.00 12.44 N ATOM 457 CA THR A 52 2.140 236.284 5.881 1.00 13.49 C ATOM 458 C THR A 52 3.283 237.003 6.589 1.00 11.49 C ATOM 459 O THR A 52 4.446 236.878 6.203 1.00 11.86 O ATOM 460 CB THR A 52 2.049 234.823 6.360 1.00 11.53 C ATOM 461 OG1 THR A 52 0.872 234.214 5.808 1.00 13.78 O ATOM 462 CG2 THR A 52 1.982 234.750 7.877 1.00 13.43 C ATOM 463 HG1 THR A 52 0.813 233.275 6.115 1.00 0.00 H ATOM 464 H THR A 52 2.537 235.484 3.903 1.00 0.00 H ATOM 465 N ASP A 53 2.944 237.758 7.629 1.00 11.10 N ATOM 466 CA ASP A 53 3.942 238.448 8.438 1.00 10.95 C ATOM 467 C ASP A 53 4.418 237.593 9.600 1.00 11.43 C ATOM 468 O ASP A 53 3.647 236.846 10.207 1.00 11.84 O ATOM 469 CB ASP A 53 3.386 239.772 8.947 1.00 12.19 C ATOM 470 CG ASP A 53 3.037 240.714 7.817 1.00 12.67 C ATOM 471 OD1 ASP A 53 3.953 241.027 7.029 1.00 13.76 O ATOM 472 OD2 ASP A 53 1.851 241.107 7.702 1.00 13.05 O ATOM 473 H ASP A 53 1.938 237.860 7.873 1.00 0.00 H ATOM 474 N HIS A 54 5.700 237.726 9.915 1.00 12.73 N ATOM 475 CA HIS A 54 6.326 236.966 10.986 1.00 10.33 C ATOM 476 C HIS A 54 6.971 237.942 11.947 1.00 11.61 C ATOM 477 O HIS A 54 7.902 238.662 11.573 1.00 11.66 O ATOM 478 CB HIS A 54 7.340 235.989 10.394 1.00 12.54 C ATOM 479 CG HIS A 54 6.785 235.206 9.245 1.00 13.67 C ATOM 480 ND1 HIS A 54 5.803 234.256 9.411 1.00 13.21 N ATOM 481 CD2 HIS A 54 7.031 235.272 7.915 1.00 13.71 C ATOM 482 CE1 HIS A 54 5.481 233.751 8.231 1.00 13.46 C ATOM 483 NE2 HIS A 54 6.216 234.345 7.310 1.00 14.86 N ATOM 484 H HIS A 54 6.280 238.400 9.375 1.00 0.00 H ATOM 485 N ILE A 55 6.493 237.954 13.186 1.00 10.82 N ATOM 486 CA ILE A 55 6.858 238.972 14.150 1.00 10.84 C ATOM 487 C ILE A 55 7.495 238.333 15.370 1.00 10.08 C ATOM 488 O ILE A 55 7.006 237.321 15.877 1.00 10.47 O ATOM 489 CB ILE A 55 5.593 239.716 14.628 1.00 16.40 C ATOM 490 CG1 ILE A 55 4.717 240.094 13.431 1.00 18.19 C ATOM 491 CG2 ILE A 55 5.950 240.930 15.465 1.00 17.83 C ATOM 492 CD1 ILE A 55 5.447 240.936 12.439 1.00 17.15 C ATOM 493 H ILE A 55 5.832 237.205 13.475 1.00 0.00 H ATOM 494 N ASN A 56 8.591 238.910 15.854 1.00 9.64 N ATOM 495 CA ASN A 56 9.167 238.462 17.122 1.00 10.13 C ATOM 496 C ASN A 56 9.708 239.640 17.911 1.00 9.35 C ATOM 497 O ASN A 56 9.883 240.726 17.362 1.00 11.00 O ATOM 498 CB ASN A 56 10.261 237.397 16.917 1.00 11.18 C ATOM 499 CG ASN A 56 11.492 237.938 16.205 1.00 11.12 C ATOM 500 OD1 ASN A 56 11.567 237.900 14.980 1.00 12.13 O ATOM 501 ND2 ASN A 56 12.475 238.423 16.973 1.00 11.26 N ATOM 502 HD22 ASN A 56 12.369 238.436 18.007 1.00 0.00 H ATOM 503 HD21 ASN A 56 13.345 238.787 16.535 1.00 0.00 H ATOM 504 H ASN A 56 9.042 239.685 15.327 1.00 0.00 H ATOM 505 N LEU A 57 9.979 239.429 19.191 1.00 10.08 N ATOM 506 CA LEU A 57 10.633 240.465 19.978 1.00 10.58 C ATOM 507 C LEU A 57 12.130 240.188 20.030 1.00 11.48 C ATOM 508 O LEU A 57 12.556 239.040 19.898 1.00 10.68 O ATOM 509 CB LEU A 57 10.061 240.525 21.387 1.00 9.94 C ATOM 510 CG LEU A 57 8.535 240.688 21.405 1.00 11.33 C ATOM 511 CD1 LEU A 57 8.024 240.844 22.822 1.00 13.52 C ATOM 512 CD2 LEU A 57 8.124 241.876 20.575 1.00 13.24 C ATOM 513 H LEU A 57 9.724 238.523 19.634 1.00 0.00 H ATOM 514 N VAL A 58 12.915 241.246 20.219 1.00 10.58 N ATOM 515 CA VAL A 58 14.349 241.190 19.945 1.00 10.63 C ATOM 516 C VAL A 58 15.210 241.287 21.189 1.00 11.14 C ATOM 517 O VAL A 58 14.963 242.088 22.091 1.00 9.72 O ATOM 518 CB VAL A 58 14.747 242.275 18.924 1.00 10.45 C ATOM 519 CG1 VAL A 58 16.198 242.102 18.494 1.00 11.17 C ATOM 520 CG2 VAL A 58 13.837 242.198 17.706 1.00 12.83 C ATOM 521 H VAL A 58 12.498 242.132 20.569 1.00 0.00 H ATOM 522 N GLN A 59 16.224 240.434 21.211 1.00 11.92 N ATOM 523 CA GLN A 59 17.285 240.478 22.201 1.00 11.91 C ATOM 524 C GLN A 59 17.744 241.913 22.458 1.00 9.78 C ATOM 525 O GLN A 59 17.956 242.682 21.519 1.00 11.19 O ATOM 526 CB GLN A 59 18.443 239.645 21.664 1.00 12.01 C ATOM 527 CG GLN A 59 19.704 239.615 22.512 1.00 11.74 C ATOM 528 CD GLN A 59 20.854 238.993 21.755 1.00 11.95 C ATOM 529 OE1 GLN A 59 21.308 239.545 20.755 1.00 12.62 O ATOM 530 NE2 GLN A 59 21.280 237.814 22.185 1.00 14.11 N ATOM 531 HE22 GLN A 59 20.862 237.390 23.038 1.00 0.00 H ATOM 532 HE21 GLN A 59 22.032 237.313 21.670 1.00 0.00 H ATOM 533 H GLN A 59 16.262 239.694 20.481 1.00 0.00 H ATOM 534 N GLY A 60 17.867 242.274 23.729 1.00 11.08 N ATOM 535 CA GLY A 60 18.283 243.615 24.091 1.00 13.37 C ATOM 536 C GLY A 60 17.153 244.492 24.594 1.00 14.96 C ATOM 537 O GLY A 60 17.402 245.519 25.225 1.00 13.84 O ATOM 538 H GLY A 60 17.661 241.583 24.479 1.00 0.00 H ATOM 539 N SER A 61 15.913 244.093 24.306 1.00 12.60 N ATOM 540 CA SER A 61 14.734 244.739 24.880 1.00 13.53 C ATOM 541 C SER A 61 14.902 244.736 26.390 1.00 12.26 C ATOM 542 O SER A 61 15.228 243.706 26.974 1.00 12.88 O ATOM 543 CB SER A 61 13.467 243.979 24.479 1.00 12.05 C ATOM 544 OG SER A 61 13.246 244.039 23.084 1.00 12.81 O ATOM 545 HG SER A 61 14.017 243.636 22.611 1.00 0.00 H ATOM 546 H SER A 61 15.781 243.296 23.651 1.00 0.00 H ATOM 547 N ALA A 62 14.686 245.883 27.022 1.00 13.52 N ATOM 548 CA ALA A 62 15.050 246.036 28.428 1.00 13.71 C ATOM 549 C ALA A 62 14.305 247.176 29.113 1.00 17.56 C ATOM 550 O ALA A 62 13.584 247.940 28.468 1.00 14.99 O ATOM 551 CB ALA A 62 16.561 246.253 28.550 1.00 14.87 C ATOM 552 H ALA A 62 14.254 246.679 26.512 1.00 0.00 H ATOM 553 N PHE A 63 14.495 247.293 30.425 1.00 15.46 N ATOM 554 CA PHE A 63 13.983 248.433 31.173 1.00 17.61 C ATOM 555 C PHE A 63 14.767 249.681 30.784 1.00 20.24 C ATOM 556 O PHE A 63 15.824 249.590 30.160 1.00 21.77 O ATOM 557 CB PHE A 63 14.078 248.186 32.681 1.00 20.75 C ATOM 558 CG PHE A 63 13.166 247.100 33.176 1.00 17.67 C ATOM 559 CD1 PHE A 63 11.788 247.263 33.140 1.00 19.60 C ATOM 560 CD2 PHE A 63 13.680 245.920 33.684 1.00 21.73 C ATOM 561 CE1 PHE A 63 10.944 246.265 33.594 1.00 20.77 C ATOM 562 CE2 PHE A 63 12.842 244.922 34.140 1.00 19.95 C ATOM 563 CZ PHE A 63 11.472 245.093 34.098 1.00 20.21 C ATOM 564 H PHE A 63 15.022 246.552 30.929 1.00 0.00 H ATOM 565 N ALA A 64 14.254 250.851 31.146 1.00 22.95 N ATOM 566 CA ALA A 64 14.858 252.096 30.684 1.00 26.49 C ATOM 567 C ALA A 64 15.397 252.968 31.808 1.00 39.37 C ATOM 568 O ALA A 64 14.718 253.201 32.809 1.00 40.28 O ATOM 569 CB ALA A 64 13.876 252.879 29.835 1.00 21.65 C ATOM 570 H ALA A 64 13.417 250.880 31.762 1.00 0.00 H ATOM 571 N GLY A 65 16.624 253.448 31.618 1.00 43.05 N ATOM 572 CA GLY A 65 17.265 254.371 32.537 1.00 46.09 C ATOM 573 C GLY A 65 17.225 253.961 33.995 1.00 47.98 C ATOM 574 O GLY A 65 18.021 253.135 34.445 1.00 52.75 O ATOM 575 H GLY A 65 17.148 253.148 30.771 1.00 0.00 H ATOM 576 N SER A 66 16.282 254.543 34.729 1.00 50.76 N ATOM 577 CA SER A 66 16.170 254.349 36.171 1.00 52.05 C ATOM 578 C SER A 66 15.892 252.903 36.576 1.00 50.50 C ATOM 579 O SER A 66 16.349 252.449 37.627 1.00 54.51 O ATOM 580 CB SER A 66 15.076 255.258 36.736 1.00 54.09 C ATOM 581 OG SER A 66 13.825 254.979 36.130 1.00 43.70 O ATOM 582 HG SER A 66 13.134 255.578 36.510 1.00 0.00 H ATOM 583 H SER A 66 15.595 255.163 34.255 1.00 0.00 H ATOM 584 N LEU A 67 15.138 252.185 35.750 1.00 46.18 N ATOM 585 CA LEU A 67 14.707 250.836 36.103 1.00 40.87 C ATOM 586 C LEU A 67 15.647 249.752 35.596 1.00 34.56 C ATOM 587 O LEU A 67 15.301 248.573 35.625 1.00 31.85 O ATOM 588 CB LEU A 67 13.292 250.561 35.586 1.00 41.08 C ATOM 589 CG LEU A 67 12.132 251.313 36.238 1.00 44.99 C ATOM 590 CD1 LEU A 67 11.873 252.634 35.531 1.00 43.43 C ATOM 591 CD2 LEU A 67 10.877 250.452 36.255 1.00 36.27 C ATOM 592 H LEU A 67 14.850 252.591 34.837 1.00 0.00 H ATOM 593 N GLN A 68 16.831 250.150 35.138 1.00 38.10 N ATOM 594 CA GLN A 68 17.802 249.205 34.590 1.00 37.01 C ATOM 595 C GLN A 68 18.217 248.153 35.614 1.00 36.28 C ATOM 596 O GLN A 68 18.727 247.089 35.258 1.00 39.25 O ATOM 597 CB GLN A 68 19.035 249.947 34.067 1.00 39.12 C ATOM 598 H GLN A 68 17.072 251.161 35.171 1.00 0.00 H ATOM 599 N SER A 69 17.995 248.458 36.888 1.00 32.83 N ATOM 600 CA SER A 69 18.322 247.535 37.964 1.00 34.31 C ATOM 601 C SER A 69 17.177 246.562 38.217 1.00 28.21 C ATOM 602 O SER A 69 17.337 245.570 38.923 1.00 30.77 O ATOM 603 CB SER A 69 18.645 248.307 39.244 1.00 34.71 C ATOM 604 OG SER A 69 17.574 249.162 39.608 1.00 38.85 O ATOM 605 HG SER A 69 17.809 249.648 40.438 1.00 0.00 H ATOM 606 H SER A 69 17.576 249.381 37.122 1.00 0.00 H ATOM 607 N TYR A 70 16.017 246.848 37.635 1.00 23.53 N ATOM 608 CA TYR A 70 14.837 246.032 37.879 1.00 23.26 C ATOM 609 C TYR A 70 14.913 244.663 37.206 1.00 20.72 C ATOM 610 O TYR A 70 15.537 244.502 36.157 1.00 25.76 O ATOM 611 CB TYR A 70 13.580 246.769 37.410 1.00 24.54 C ATOM 612 H TYR A 70 15.952 247.666 36.996 1.00 0.00 H ATOM 613 N LYS A 71 14.267 243.684 37.831 1.00 24.71 N ATOM 614 CA LYS A 71 14.117 242.355 37.253 1.00 27.25 C ATOM 615 C LYS A 71 12.697 242.197 36.736 1.00 20.73 C ATOM 616 O LYS A 71 11.798 242.934 37.135 1.00 25.50 O ATOM 617 CB LYS A 71 14.378 241.280 38.308 1.00 34.01 C ATOM 618 CG LYS A 71 15.711 241.397 39.029 1.00 39.23 C ATOM 619 CD LYS A 71 15.858 240.286 40.054 1.00 42.28 C ATOM 620 CE LYS A 71 17.169 240.396 40.813 1.00 44.76 C ATOM 621 NZ LYS A 71 17.244 241.651 41.610 1.00 51.64 N ATOM 622 HZ1 LYS A 71 17.165 242.470 40.973 1.00 0.00 H ATOM 623 HZ2 LYS A 71 16.465 241.670 42.299 1.00 0.00 H ATOM 624 HZ3 LYS A 71 18.154 241.687 42.113 1.00 0.00 H ATOM 625 H LYS A 71 13.854 243.873 38.766 1.00 0.00 H ATOM 626 N GLY A 72 12.488 241.226 35.857 1.00 17.38 N ATOM 627 CA GLY A 72 11.141 240.956 35.398 1.00 18.45 C ATOM 628 C GLY A 72 11.007 239.771 34.471 1.00 17.12 C ATOM 629 O GLY A 72 11.926 238.963 34.304 1.00 14.90 O ATOM 630 H GLY A 72 13.286 240.662 35.500 1.00 0.00 H ATOM 631 N SER A 73 9.827 239.671 33.871 1.00 14.66 N ATOM 632 CA SER A 73 9.541 238.646 32.884 1.00 13.64 C ATOM 633 C SER A 73 8.773 239.316 31.762 1.00 13.09 C ATOM 634 O SER A 73 8.105 240.326 31.977 1.00 14.81 O ATOM 635 CB SER A 73 8.693 237.528 33.492 1.00 16.26 C ATOM 636 OG SER A 73 9.375 236.884 34.559 1.00 18.99 O ATOM 637 HG SER A 73 8.802 236.167 34.931 1.00 0.00 H ATOM 638 H SER A 73 9.080 240.352 34.117 1.00 0.00 H ATOM 639 N LEU A 74 8.872 238.751 30.566 1.00 11.42 N ATOM 640 CA LEU A 74 8.117 239.233 29.420 1.00 12.92 C ATOM 641 C LEU A 74 7.375 238.057 28.818 1.00 13.38 C ATOM 642 O LEU A 74 7.984 237.098 28.350 1.00 12.74 O ATOM 643 CB LEU A 74 9.061 239.855 28.382 1.00 13.02 C ATOM 644 CG LEU A 74 8.372 240.495 27.169 1.00 13.37 C ATOM 645 CD1 LEU A 74 9.295 241.471 26.478 1.00 17.74 C ATOM 646 CD2 LEU A 74 7.940 239.431 26.178 1.00 22.12 C ATOM 647 H LEU A 74 9.509 237.938 30.444 1.00 0.00 H ATOM 648 N TYR A 75 6.051 238.121 28.859 1.00 11.65 N ATOM 649 CA TYR A 75 5.231 237.123 28.209 1.00 11.05 C ATOM 650 C TYR A 75 5.020 237.525 26.756 1.00 10.53 C ATOM 651 O TYR A 75 4.584 238.644 26.482 1.00 11.57 O ATOM 652 CB TYR A 75 3.874 237.010 28.905 1.00 12.80 C ATOM 653 CG TYR A 75 2.959 236.071 28.174 1.00 13.41 C ATOM 654 CD1 TYR A 75 3.052 234.704 28.367 1.00 13.64 C ATOM 655 CD2 TYR A 75 2.032 236.546 27.253 1.00 14.30 C ATOM 656 CE1 TYR A 75 2.236 233.827 27.684 1.00 15.15 C ATOM 657 CE2 TYR A 75 1.212 235.669 26.559 1.00 14.76 C ATOM 658 CZ TYR A 75 1.324 234.310 26.781 1.00 15.85 C ATOM 659 OH TYR A 75 0.517 233.416 26.105 1.00 16.23 O ATOM 660 HH TYR A 75 0.737 232.494 26.390 1.00 0.00 H ATOM 661 H TYR A 75 5.594 238.904 29.368 1.00 0.00 H ATOM 662 N TRP A 76 5.340 236.622 25.834 1.00 9.98 N ATOM 663 CA TRP A 76 5.080 236.826 24.415 1.00 10.10 C ATOM 664 C TRP A 76 4.615 235.529 23.800 1.00 11.02 C ATOM 665 O TRP A 76 5.349 234.541 23.789 1.00 10.73 O ATOM 666 CB TRP A 76 6.347 237.274 23.686 1.00 9.92 C ATOM 667 CG TRP A 76 6.237 237.278 22.172 1.00 11.35 C ATOM 668 CD1 TRP A 76 6.740 236.343 21.307 1.00 11.23 C ATOM 669 CD2 TRP A 76 5.610 238.278 21.355 1.00 10.56 C ATOM 670 NE1 TRP A 76 6.467 236.698 20.006 1.00 11.51 N ATOM 671 CE2 TRP A 76 5.773 237.882 20.007 1.00 9.90 C ATOM 672 CE3 TRP A 76 4.928 239.468 21.634 1.00 10.44 C ATOM 673 CZ2 TRP A 76 5.294 238.641 18.946 1.00 11.48 C ATOM 674 CZ3 TRP A 76 4.447 240.219 20.577 1.00 12.46 C ATOM 675 CH2 TRP A 76 4.629 239.800 19.250 1.00 13.21 C ATOM 676 HE1 TRP A 76 6.741 236.158 19.161 1.00 0.00 H ATOM 677 H TRP A 76 5.793 235.736 26.137 1.00 0.00 H ATOM 678 N ASN A 77 3.385 235.536 23.289 1.00 10.37 N ATOM 679 CA ASN A 77 2.913 234.470 22.415 1.00 11.07 C ATOM 680 C ASN A 77 3.233 233.061 22.918 1.00 10.47 C ATOM 681 O ASN A 77 3.985 232.324 22.279 1.00 11.77 O ATOM 682 CB ASN A 77 3.463 234.660 20.997 1.00 10.13 C ATOM 683 CG ASN A 77 2.727 233.832 19.984 1.00 11.94 C ATOM 684 OD1 ASN A 77 1.507 233.717 20.050 1.00 12.44 O ATOM 685 ND2 ASN A 77 3.449 233.222 19.062 1.00 11.03 N ATOM 686 HD22 ASN A 77 4.481 233.347 19.043 1.00 0.00 H ATOM 687 HD21 ASN A 77 2.985 232.616 18.355 1.00 0.00 H ATOM 688 H ASN A 77 2.745 236.323 23.520 1.00 0.00 H ATOM 689 N ASN A 78 2.684 232.720 24.082 1.00 10.51 N ATOM 690 CA ASN A 78 2.758 231.380 24.674 1.00 10.78 C ATOM 691 C ASN A 78 4.018 231.046 25.471 1.00 12.72 C ATOM 692 O ASN A 78 4.132 229.946 26.003 1.00 14.70 O ATOM 693 CB ASN A 78 2.478 230.292 23.639 1.00 12.84 C ATOM 694 CG ASN A 78 1.104 230.436 23.012 1.00 13.54 C ATOM 695 OD1 ASN A 78 0.091 230.516 23.716 1.00 13.72 O ATOM 696 ND2 ASN A 78 1.060 230.500 21.688 1.00 12.98 N ATOM 697 HD22 ASN A 78 1.938 230.428 21.134 1.00 0.00 H ATOM 698 HD21 ASN A 78 0.148 230.622 21.203 1.00 0.00 H ATOM 699 H ASN A 78 2.167 233.454 24.607 1.00 0.00 H ATOM 700 N VAL A 79 4.949 231.991 25.574 1.00 11.01 N ATOM 701 CA VAL A 79 6.176 231.753 26.333 1.00 12.03 C ATOM 702 C VAL A 79 6.465 232.935 27.241 1.00 11.10 C ATOM 703 O VAL A 79 6.253 234.084 26.863 1.00 13.29 O ATOM 704 CB VAL A 79 7.372 231.530 25.385 1.00 11.41 C ATOM 705 CG1 VAL A 79 8.661 231.265 26.172 1.00 12.59 C ATOM 706 CG2 VAL A 79 7.088 230.377 24.453 1.00 14.74 C ATOM 707 H VAL A 79 4.802 232.910 25.109 1.00 0.00 H ATOM 708 N THR A 80 6.968 232.653 28.439 1.00 12.24 N ATOM 709 CA THR A 80 7.355 233.714 29.350 1.00 11.60 C ATOM 710 C THR A 80 8.873 233.718 29.468 1.00 13.10 C ATOM 711 O THR A 80 9.474 232.749 29.945 1.00 15.01 O ATOM 712 CB THR A 80 6.717 233.527 30.731 1.00 13.01 C ATOM 713 OG1 THR A 80 5.293 233.530 30.585 1.00 14.93 O ATOM 714 CG2 THR A 80 7.101 234.664 31.659 1.00 14.78 C ATOM 715 HG1 THR A 80 5.022 232.789 29.987 1.00 0.00 H ATOM 716 H THR A 80 7.085 231.660 28.726 1.00 0.00 H ATOM 717 N TYR A 81 9.477 234.811 29.014 1.00 12.02 N ATOM 718 CA TYR A 81 10.932 234.973 28.992 1.00 10.76 C ATOM 719 C TYR A 81 11.420 235.815 30.157 1.00 11.86 C ATOM 720 O TYR A 81 10.741 236.727 30.598 1.00 11.51 O ATOM 721 CB TYR A 81 11.348 235.673 27.697 1.00 12.82 C ATOM 722 CG TYR A 81 10.963 234.920 26.454 1.00 10.98 C ATOM 723 CD1 TYR A 81 11.835 233.999 25.878 1.00 11.90 C ATOM 724 CD2 TYR A 81 9.715 235.111 25.860 1.00 12.88 C ATOM 725 CE1 TYR A 81 11.478 233.291 24.745 1.00 11.67 C ATOM 726 CE2 TYR A 81 9.353 234.415 24.728 1.00 11.26 C ATOM 727 CZ TYR A 81 10.232 233.505 24.176 1.00 12.12 C ATOM 728 OH TYR A 81 9.855 232.808 23.050 1.00 11.43 O ATOM 729 HH TYR A 81 10.588 232.200 22.779 1.00 0.00 H ATOM 730 H TYR A 81 8.887 235.590 28.657 1.00 0.00 H ATOM 731 N PRO A 82 12.638 235.541 30.640 1.00 11.98 N ATOM 732 CA PRO A 82 13.238 236.529 31.535 1.00 11.55 C ATOM 733 C PRO A 82 13.355 237.878 30.821 1.00 11.19 C ATOM 734 O PRO A 82 13.556 237.912 29.602 1.00 11.81 O ATOM 735 CB PRO A 82 14.629 235.943 31.809 1.00 12.15 C ATOM 736 CG PRO A 82 14.480 234.460 31.536 1.00 13.36 C ATOM 737 CD PRO A 82 13.517 234.390 30.388 1.00 12.14 C ATOM 738 N PHE A 83 13.211 238.969 31.570 1.00 11.62 N ATOM 739 CA PHE A 83 13.341 240.314 31.024 1.00 13.17 C ATOM 740 C PHE A 83 14.333 241.054 31.907 1.00 14.64 C ATOM 741 O PHE A 83 14.227 240.994 33.131 1.00 14.39 O ATOM 742 CB PHE A 83 11.982 241.026 31.019 1.00 12.81 C ATOM 743 CG PHE A 83 11.972 242.302 30.228 1.00 11.62 C ATOM 744 CD1 PHE A 83 11.957 242.267 28.843 1.00 11.44 C ATOM 745 CD2 PHE A 83 11.966 243.533 30.860 1.00 11.74 C ATOM 746 CE1 PHE A 83 11.941 243.426 28.104 1.00 12.76 C ATOM 747 CE2 PHE A 83 11.955 244.702 30.128 1.00 14.56 C ATOM 748 CZ PHE A 83 11.936 244.648 28.740 1.00 12.99 C ATOM 749 H PHE A 83 12.998 238.857 32.582 1.00 0.00 H ATOM 750 N PRO A 84 15.305 241.757 31.303 1.00 12.23 N ATOM 751 CA PRO A 84 15.467 242.049 29.875 1.00 12.35 C ATOM 752 C PRO A 84 15.708 240.813 29.021 1.00 11.68 C ATOM 753 O PRO A 84 16.209 239.791 29.504 1.00 11.52 O ATOM 754 CB PRO A 84 16.699 242.958 29.848 1.00 12.29 C ATOM 755 CG PRO A 84 17.480 242.546 31.050 1.00 17.39 C ATOM 756 CD PRO A 84 16.430 242.284 32.096 1.00 14.00 C ATOM 757 N LEU A 85 15.329 240.912 27.751 1.00 10.58 N ATOM 758 CA LEU A 85 15.434 239.794 26.826 1.00 11.66 C ATOM 759 C LEU A 85 16.875 239.540 26.441 1.00 12.91 C ATOM 760 O LEU A 85 17.563 240.442 25.954 1.00 11.92 O ATOM 761 CB LEU A 85 14.635 240.069 25.552 1.00 13.38 C ATOM 762 CG LEU A 85 13.113 240.029 25.594 1.00 14.75 C ATOM 763 CD1 LEU A 85 12.579 240.161 24.173 1.00 15.14 C ATOM 764 CD2 LEU A 85 12.605 238.747 26.242 1.00 15.27 C ATOM 765 H LEU A 85 14.946 241.816 27.408 1.00 0.00 H ATOM 766 N THR A 86 17.309 238.300 26.610 1.00 11.93 N ATOM 767 CA THR A 86 18.679 237.934 26.280 1.00 12.12 C ATOM 768 C THR A 86 18.738 237.106 25.009 1.00 14.66 C ATOM 769 O THR A 86 19.812 236.658 24.600 1.00 13.77 O ATOM 770 CB THR A 86 19.336 237.147 27.417 1.00 12.99 C ATOM 771 OG1 THR A 86 18.755 235.840 27.499 1.00 13.97 O ATOM 772 CG2 THR A 86 19.173 237.880 28.745 1.00 13.02 C ATOM 773 HG1 THR A 86 17.784 235.922 27.674 1.00 0.00 H ATOM 774 H THR A 86 16.662 237.577 26.984 1.00 0.00 H ATOM 775 N THR A 87 17.584 236.923 24.380 1.00 12.01 N ATOM 776 CA THR A 87 17.489 236.157 23.151 1.00 13.14 C ATOM 777 C THR A 87 16.281 236.677 22.391 1.00 12.11 C ATOM 778 O THR A 87 15.483 237.424 22.952 1.00 13.18 O ATOM 779 CB THR A 87 17.322 234.649 23.450 1.00 15.63 C ATOM 780 OG1 THR A 87 17.464 233.892 22.240 1.00 21.06 O ATOM 781 CG2 THR A 87 15.960 234.366 24.078 1.00 16.71 C ATOM 782 HG1 THR A 87 18.362 234.051 21.856 1.00 0.00 H ATOM 783 H THR A 87 16.720 237.342 24.780 1.00 0.00 H ATOM 784 N ASN A 88 16.157 236.312 21.123 1.00 11.22 N ATOM 785 CA ASN A 88 14.950 236.640 20.381 1.00 11.27 C ATOM 786 C ASN A 88 13.838 235.676 20.767 1.00 12.50 C ATOM 787 O ASN A 88 14.086 234.503 21.061 1.00 13.17 O ATOM 788 CB ASN A 88 15.188 236.575 18.876 1.00 12.14 C ATOM 789 CG ASN A 88 16.174 237.625 18.397 1.00 12.39 C ATOM 790 OD1 ASN A 88 16.493 238.564 19.116 1.00 11.89 O ATOM 791 ND2 ASN A 88 16.650 237.473 17.168 1.00 13.17 N ATOM 792 HD22 ASN A 88 16.352 236.660 16.592 1.00 0.00 H ATOM 793 HD21 ASN A 88 17.321 238.167 16.781 1.00 0.00 H ATOM 794 H ASN A 88 16.926 235.789 20.657 1.00 0.00 H ATOM 795 N THR A 89 12.605 236.170 20.765 1.00 10.32 N ATOM 796 CA THR A 89 11.463 235.346 21.141 1.00 11.57 C ATOM 797 C THR A 89 10.997 234.470 19.984 1.00 11.35 C ATOM 798 O THR A 89 11.441 234.605 18.845 1.00 11.94 O ATOM 799 CB THR A 89 10.256 236.195 21.584 1.00 12.56 C ATOM 800 OG1 THR A 89 9.714 236.887 20.455 1.00 11.02 O ATOM 801 CG2 THR A 89 10.629 237.197 22.678 1.00 12.30 C ATOM 802 HG1 THR A 89 9.422 236.229 19.775 1.00 0.00 H ATOM 803 H THR A 89 12.452 237.161 20.491 1.00 0.00 H ATOM 804 N ASN A 90 10.046 233.595 20.290 1.00 10.98 N ATOM 805 CA ASN A 90 9.327 232.843 19.276 1.00 11.32 C ATOM 806 C ASN A 90 8.621 233.807 18.340 1.00 9.02 C ATOM 807 O ASN A 90 8.432 234.989 18.664 1.00 10.45 O ATOM 808 CB ASN A 90 8.305 231.912 19.943 1.00 11.67 C ATOM 809 CG ASN A 90 7.118 232.666 20.527 1.00 10.93 C ATOM 810 OD1 ASN A 90 6.224 233.069 19.794 1.00 12.49 O ATOM 811 ND2 ASN A 90 7.099 232.850 21.841 1.00 11.76 N ATOM 812 HD22 ASN A 90 7.879 232.491 22.428 1.00 0.00 H ATOM 813 HD21 ASN A 90 6.304 233.353 22.284 1.00 0.00 H ATOM 814 H ASN A 90 9.808 233.443 21.291 1.00 0.00 H ATOM 815 N VAL A 91 8.230 233.285 17.177 1.00 10.95 N ATOM 816 CA VAL A 91 7.585 234.060 16.132 1.00 10.47 C ATOM 817 C VAL A 91 6.061 233.938 16.199 1.00 10.43 C ATOM 818 O VAL A 91 5.508 232.844 16.348 1.00 12.55 O ATOM 819 CB VAL A 91 8.077 233.590 14.744 1.00 11.41 C ATOM 820 CG1 VAL A 91 7.310 234.281 13.627 1.00 12.49 C ATOM 821 CG2 VAL A 91 9.574 233.843 14.597 1.00 12.97 C ATOM 822 H VAL A 91 8.395 232.272 17.010 1.00 0.00 H ATOM 823 N LEU A 92 5.398 235.082 16.099 1.00 9.92 N ATOM 824 CA LEU A 92 3.951 235.139 15.913 1.00 10.12 C ATOM 825 C LEU A 92 3.670 235.426 14.449 1.00 10.31 C ATOM 826 O LEU A 92 4.267 236.322 13.863 1.00 11.59 O ATOM 827 CB LEU A 92 3.384 236.261 16.769 1.00 10.54 C ATOM 828 CG LEU A 92 1.912 236.617 16.589 1.00 11.73 C ATOM 829 CD1 LEU A 92 1.036 235.437 16.975 1.00 13.04 C ATOM 830 CD2 LEU A 92 1.569 237.847 17.414 1.00 13.92 C ATOM 831 H LEU A 92 5.930 235.974 16.155 1.00 0.00 H ATOM 832 N ASP A 93 2.753 234.675 13.856 1.00 10.63 N ATOM 833 CA ASP A 93 2.446 234.832 12.440 1.00 11.95 C ATOM 834 C ASP A 93 1.128 235.567 12.268 1.00 10.52 C ATOM 835 O ASP A 93 0.124 235.220 12.896 1.00 12.07 O ATOM 836 CB ASP A 93 2.401 233.458 11.796 1.00 13.46 C ATOM 837 CG ASP A 93 3.641 232.657 12.109 1.00 10.58 C ATOM 838 OD1 ASP A 93 4.711 233.004 11.560 1.00 11.56 O ATOM 839 OD2 ASP A 93 3.557 231.714 12.921 1.00 13.32 O ATOM 840 H ASP A 93 2.242 233.960 14.412 1.00 0.00 H ATOM 841 N ILE A 94 1.143 236.594 11.432 1.00 10.60 N ATOM 842 CA ILE A 94 0.017 237.494 11.260 1.00 11.78 C ATOM 843 C ILE A 94 -0.373 237.539 9.790 1.00 13.19 C ATOM 844 O ILE A 94 0.408 237.967 8.938 1.00 11.60 O ATOM 845 CB ILE A 94 0.375 238.898 11.784 1.00 12.89 C ATOM 846 CG1 ILE A 94 0.627 238.831 13.301 1.00 17.94 C ATOM 847 CG2 ILE A 94 -0.694 239.916 11.418 1.00 16.13 C ATOM 848 CD1 ILE A 94 0.602 240.163 14.007 1.00 21.91 C ATOM 849 H ILE A 94 2.003 236.764 10.872 1.00 0.00 H ATOM 850 N GLY A 95 -1.588 237.073 9.506 1.00 11.73 N ATOM 851 CA GLY A 95 -2.064 236.939 8.135 1.00 12.54 C ATOM 852 C GLY A 95 -3.450 237.497 7.868 1.00 12.60 C ATOM 853 O GLY A 95 -3.860 237.575 6.713 1.00 13.29 O ATOM 854 H GLY A 95 -2.217 236.796 10.287 1.00 0.00 H ATOM 855 N ASP A 96 -4.160 237.884 8.928 1.00 11.28 N ATOM 856 CA ASP A 96 -5.502 238.466 8.825 1.00 12.27 C ATOM 857 C ASP A 96 -5.433 239.991 8.806 1.00 13.40 C ATOM 858 O ASP A 96 -4.540 240.582 9.410 1.00 13.97 O ATOM 859 CB ASP A 96 -6.355 238.033 10.019 1.00 15.48 C ATOM 860 CG ASP A 96 -6.582 236.541 10.061 1.00 16.04 C ATOM 861 OD1 ASP A 96 -6.953 235.973 9.011 1.00 16.02 O ATOM 862 OD2 ASP A 96 -6.386 235.940 11.144 1.00 19.26 O ATOM 863 H ASP A 96 -3.742 237.768 9.873 1.00 0.00 H ATOM 864 N LYS A 97 -6.379 240.633 8.126 1.00 13.88 N ATOM 865 CA LYS A 97 -6.445 242.092 8.119 1.00 14.52 C ATOM 866 C LYS A 97 -7.078 242.606 9.415 1.00 16.05 C ATOM 867 O LYS A 97 -6.838 243.737 9.841 1.00 14.57 O ATOM 868 CB LYS A 97 -7.234 242.580 6.899 1.00 19.54 C ATOM 869 CG LYS A 97 -7.378 244.092 6.802 1.00 28.67 C ATOM 870 CD LYS A 97 -6.191 244.725 6.092 1.00 29.98 C ATOM 871 CE LYS A 97 -6.308 246.247 6.039 1.00 32.86 C ATOM 872 NZ LYS A 97 -5.085 246.894 5.467 1.00 39.18 N ATOM 873 HZ1 LYS A 97 -4.261 246.655 6.055 1.00 0.00 H ATOM 874 HZ2 LYS A 97 -4.933 246.549 4.498 1.00 0.00 H ATOM 875 HZ3 LYS A 97 -5.215 247.926 5.453 1.00 0.00 H ATOM 876 H LYS A 97 -7.083 240.087 7.590 1.00 0.00 H ATOM 877 N THR A 98 -7.890 241.765 10.040 1.00 13.68 N ATOM 878 CA THR A 98 -8.465 242.095 11.339 1.00 14.01 C ATOM 879 C THR A 98 -7.335 242.228 12.350 1.00 15.07 C ATOM 880 O THR A 98 -6.534 241.307 12.498 1.00 17.20 O ATOM 881 CB THR A 98 -9.422 240.995 11.817 1.00 14.68 C ATOM 882 OG1 THR A 98 -10.538 240.922 10.922 1.00 18.08 O ATOM 883 CG2 THR A 98 -9.930 241.292 13.228 1.00 17.28 C ATOM 884 HG1 THR A 98 -11.158 240.213 11.227 1.00 0.00 H ATOM 885 H THR A 98 -8.121 240.853 9.596 1.00 0.00 H ATOM 886 N PRO A 99 -7.251 243.379 13.036 1.00 13.73 N ATOM 887 CA PRO A 99 -6.158 243.610 13.987 1.00 13.92 C ATOM 888 C PRO A 99 -6.089 242.546 15.068 1.00 13.76 C ATOM 889 O PRO A 99 -7.108 242.101 15.607 1.00 14.11 O ATOM 890 CB PRO A 99 -6.504 244.969 14.594 1.00 16.56 C ATOM 891 CG PRO A 99 -7.315 245.654 13.539 1.00 17.65 C ATOM 892 CD PRO A 99 -8.152 244.542 12.950 1.00 16.35 C ATOM 893 N MET A 100 -4.866 242.127 15.376 1.00 13.25 N ATOM 894 CA MET A 100 -4.645 241.216 16.483 1.00 13.42 C ATOM 895 C MET A 100 -3.914 241.956 17.584 1.00 13.22 C ATOM 896 O MET A 100 -2.790 242.417 17.378 1.00 14.02 O ATOM 897 CB MET A 100 -3.811 240.003 16.061 1.00 15.71 C ATOM 898 CG MET A 100 -3.732 238.951 17.171 1.00 21.82 C ATOM 899 SD MET A 100 -2.424 237.727 16.981 1.00 21.35 S ATOM 900 CE MET A 100 -2.628 236.796 18.498 1.00 22.43 C ATOM 901 H MET A 100 -4.055 242.457 14.815 1.00 0.00 H ATOM 902 N PRO A 101 -4.542 242.076 18.759 1.00 11.84 N ATOM 903 CA PRO A 101 -3.821 242.635 19.905 1.00 12.43 C ATOM 904 C PRO A 101 -2.591 241.779 20.186 1.00 12.61 C ATOM 905 O PRO A 101 -2.655 240.555 20.124 1.00 12.34 O ATOM 906 CB PRO A 101 -4.833 242.509 21.049 1.00 13.35 C ATOM 907 CG PRO A 101 -6.160 242.535 20.359 1.00 16.42 C ATOM 908 CD PRO A 101 -5.945 241.769 19.088 1.00 13.66 C ATOM 909 N LEU A 102 -1.468 242.414 20.474 1.00 11.76 N ATOM 910 CA LEU A 102 -0.250 241.642 20.687 1.00 10.98 C ATOM 911 C LEU A 102 -0.335 240.855 21.992 1.00 10.99 C ATOM 912 O LEU A 102 -0.721 241.405 23.020 1.00 11.22 O ATOM 913 CB LEU A 102 0.984 242.539 20.682 1.00 12.16 C ATOM 914 CG LEU A 102 1.287 243.189 19.335 1.00 12.76 C ATOM 915 CD1 LEU A 102 2.643 243.875 19.392 1.00 13.23 C ATOM 916 CD2 LEU A 102 1.242 242.156 18.221 1.00 15.40 C ATOM 917 H LEU A 102 -1.454 243.451 20.548 1.00 0.00 H ATOM 918 N PRO A 103 0.005 239.558 21.950 1.00 10.67 N ATOM 919 CA PRO A 103 -0.032 238.729 23.160 1.00 10.02 C ATOM 920 C PRO A 103 1.238 238.975 23.973 1.00 10.59 C ATOM 921 O PRO A 103 2.176 238.167 23.981 1.00 11.12 O ATOM 922 CB PRO A 103 -0.088 237.313 22.613 1.00 11.89 C ATOM 923 CG PRO A 103 0.637 237.402 21.293 1.00 11.86 C ATOM 924 CD PRO A 103 0.373 238.782 20.751 1.00 11.32 C ATOM 925 N LEU A 104 1.242 240.107 24.665 1.00 10.22 N ATOM 926 CA LEU A 104 2.457 240.683 25.207 1.00 10.52 C ATOM 927 C LEU A 104 2.169 241.295 26.566 1.00 11.85 C ATOM 928 O LEU A 104 1.346 242.204 26.686 1.00 12.23 O ATOM 929 CB LEU A 104 2.968 241.749 24.241 1.00 11.48 C ATOM 930 CG LEU A 104 4.176 242.571 24.691 1.00 13.99 C ATOM 931 CD1 LEU A 104 5.383 241.669 24.952 1.00 13.50 C ATOM 932 CD2 LEU A 104 4.492 243.621 23.642 1.00 15.03 C ATOM 933 H LEU A 104 0.340 240.599 24.825 1.00 0.00 H ATOM 934 N LYS A 105 2.851 240.793 27.590 1.00 12.27 N ATOM 935 CA LYS A 105 2.731 241.341 28.938 1.00 12.70 C ATOM 936 C LYS A 105 4.105 241.472 29.561 1.00 13.06 C ATOM 937 O LYS A 105 4.977 240.621 29.364 1.00 15.04 O ATOM 938 CB LYS A 105 1.894 240.439 29.842 1.00 14.59 C ATOM 939 CG LYS A 105 0.504 240.151 29.334 1.00 17.44 C ATOM 940 CD LYS A 105 -0.262 239.342 30.370 1.00 21.20 C ATOM 941 CE LYS A 105 -1.710 239.130 29.958 1.00 26.26 C ATOM 942 NZ LYS A 105 -1.823 238.249 28.761 1.00 25.78 N ATOM 943 HZ1 LYS A 105 -1.317 238.683 27.963 1.00 0.00 H ATOM 944 HZ2 LYS A 105 -1.405 237.321 28.974 1.00 0.00 H ATOM 945 HZ3 LYS A 105 -2.826 238.130 28.513 1.00 0.00 H ATOM 946 H LYS A 105 3.488 239.987 27.427 1.00 0.00 H ATOM 947 N LEU A 106 4.292 242.538 30.321 1.00 12.62 N ATOM 948 CA LEU A 106 5.531 242.768 31.034 1.00 11.15 C ATOM 949 C LEU A 106 5.266 242.672 32.524 1.00 14.84 C ATOM 950 O LEU A 106 4.313 243.259 33.032 1.00 14.97 O ATOM 951 CB LEU A 106 6.084 244.144 30.654 1.00 17.08 C ATOM 952 CG LEU A 106 7.331 244.680 31.346 1.00 17.66 C ATOM 953 CD1 LEU A 106 8.497 243.738 31.125 1.00 19.21 C ATOM 954 CD2 LEU A 106 7.642 246.075 30.822 1.00 21.98 C ATOM 955 H LEU A 106 3.524 243.234 30.409 1.00 0.00 H ATOM 956 N TYR A 107 6.089 241.891 33.212 1.00 15.52 N ATOM 957 CA TYR A 107 6.004 241.767 34.656 1.00 15.02 C ATOM 958 C TYR A 107 7.228 242.416 35.263 1.00 16.30 C ATOM 959 O TYR A 107 8.359 242.070 34.912 1.00 17.49 O ATOM 960 CB TYR A 107 5.927 240.298 35.053 1.00 16.83 C ATOM 961 CG TYR A 107 4.718 239.604 34.475 1.00 20.84 C ATOM 962 CD1 TYR A 107 4.767 239.012 33.222 1.00 21.00 C ATOM 963 CD2 TYR A 107 3.521 239.558 35.176 1.00 27.66 C ATOM 964 CE1 TYR A 107 3.660 238.383 32.686 1.00 22.75 C ATOM 965 CE2 TYR A 107 2.408 238.932 34.649 1.00 27.81 C ATOM 966 CZ TYR A 107 2.483 238.347 33.404 1.00 27.14 C ATOM 967 OH TYR A 107 1.369 237.727 32.881 1.00 29.79 O ATOM 968 HH TYR A 107 0.634 238.385 32.799 1.00 0.00 H ATOM 969 H TYR A 107 6.817 241.351 32.701 1.00 0.00 H ATOM 970 N ILE A 108 7.004 243.368 36.160 1.00 18.97 N ATOM 971 CA ILE A 108 8.090 244.137 36.749 1.00 20.02 C ATOM 972 C ILE A 108 8.212 243.844 38.238 1.00 23.88 C ATOM 973 O ILE A 108 7.232 243.930 38.975 1.00 24.04 O ATOM 974 CB ILE A 108 7.865 245.641 36.530 1.00 21.45 C ATOM 975 CG1 ILE A 108 7.539 245.911 35.058 1.00 26.52 C ATOM 976 CG2 ILE A 108 9.078 246.433 36.975 1.00 22.82 C ATOM 977 CD1 ILE A 108 7.263 247.363 34.738 1.00 29.92 C ATOM 978 H ILE A 108 6.026 243.570 36.450 1.00 0.00 H ATOM 979 N THR A 109 9.418 243.489 38.672 1.00 21.11 N ATOM 980 CA THR A 109 9.673 243.175 40.077 1.00 29.72 C ATOM 981 C THR A 109 10.449 244.295 40.767 1.00 34.55 C ATOM 982 O THR A 109 11.472 244.758 40.260 1.00 37.11 O ATOM 983 CB THR A 109 10.456 241.857 40.227 1.00 35.37 C ATOM 984 OG1 THR A 109 9.596 240.752 39.927 1.00 38.56 O ATOM 985 CG2 THR A 109 10.981 241.707 41.646 1.00 36.89 C ATOM 986 HG1 THR A 109 9.265 240.835 38.998 1.00 0.00 H ATOM 987 H THR A 109 10.203 243.433 37.992 1.00 0.00 H TER 988 THR A 109 ATOM 989 N GLY A 116 9.676 256.460 48.123 1.00 34.37 N ATOM 990 CA GLY A 116 8.691 257.378 47.581 1.00 31.72 C ATOM 991 C GLY A 116 8.307 257.021 46.159 1.00 27.36 C ATOM 992 O GLY A 116 7.913 255.891 45.881 1.00 31.06 O ATOM 993 HN3 GLY A 116 10.534 256.489 47.537 1.00 0.00 H ATOM 994 HN2 GLY A 116 9.286 255.496 48.123 1.00 0.00 H ATOM 995 HN1 GLY A 116 9.910 256.740 49.097 1.00 0.00 H ATOM 996 N VAL A 117 8.426 257.988 45.255 1.00 24.62 N ATOM 997 CA VAL A 117 8.113 257.754 43.848 1.00 25.33 C ATOM 998 C VAL A 117 9.219 256.943 43.186 1.00 24.63 C ATOM 999 O VAL A 117 10.359 257.402 43.085 1.00 27.50 O ATOM 1000 CB VAL A 117 7.949 259.071 43.081 1.00 21.29 C ATOM 1001 CG1 VAL A 117 7.800 258.801 41.585 1.00 20.55 C ATOM 1002 CG2 VAL A 117 6.749 259.839 43.600 1.00 23.29 C ATOM 1003 H VAL A 117 8.748 258.930 45.556 1.00 0.00 H ATOM 1004 N VAL A 118 8.879 255.736 42.744 1.00 23.14 N ATOM 1005 CA VAL A 118 9.839 254.869 42.071 1.00 24.92 C ATOM 1006 C VAL A 118 9.712 254.981 40.554 1.00 24.75 C ATOM 1007 O VAL A 118 10.705 254.909 39.832 1.00 26.59 O ATOM 1008 CB VAL A 118 9.683 253.399 42.510 1.00 26.26 C ATOM 1009 CG1 VAL A 118 10.068 253.249 43.972 1.00 32.63 C ATOM 1010 CG2 VAL A 118 8.260 252.922 42.289 1.00 27.99 C ATOM 1011 H VAL A 118 7.904 255.402 42.882 1.00 0.00 H ATOM 1012 N ILE A 119 8.485 255.166 40.079 1.00 23.56 N ATOM 1013 CA ILE A 119 8.239 255.401 38.659 1.00 23.26 C ATOM 1014 C ILE A 119 7.460 256.693 38.472 1.00 17.20 C ATOM 1015 O ILE A 119 6.443 256.911 39.129 1.00 19.15 O ATOM 1016 CB ILE A 119 7.440 254.257 38.022 1.00 22.05 C ATOM 1017 CG1 ILE A 119 8.251 252.959 38.052 1.00 29.52 C ATOM 1018 CG2 ILE A 119 7.040 254.612 36.587 1.00 24.68 C ATOM 1019 CD1 ILE A 119 7.458 251.744 37.630 1.00 30.77 C ATOM 1020 H ILE A 119 7.679 255.143 40.736 1.00 0.00 H ATOM 1021 N LYS A 120 7.949 257.540 37.574 1.00 16.47 N ATOM 1022 CA LYS A 120 7.305 258.813 37.268 1.00 16.77 C ATOM 1023 C LYS A 120 6.346 258.694 36.092 1.00 18.48 C ATOM 1024 O LYS A 120 6.622 257.994 35.118 1.00 19.96 O ATOM 1025 CB LYS A 120 8.358 259.869 36.934 1.00 18.38 C ATOM 1026 CG LYS A 120 9.243 260.275 38.096 1.00 18.32 C ATOM 1027 CD LYS A 120 10.334 261.224 37.617 1.00 21.93 C ATOM 1028 CE LYS A 120 11.146 261.768 38.778 1.00 25.67 C ATOM 1029 NZ LYS A 120 12.403 262.429 38.323 1.00 33.44 N ATOM 1030 HZ1 LYS A 120 12.990 261.740 37.811 1.00 0.00 H ATOM 1031 HZ2 LYS A 120 12.168 263.222 37.692 1.00 0.00 H ATOM 1032 HZ3 LYS A 120 12.925 262.785 39.149 1.00 0.00 H ATOM 1033 H LYS A 120 8.823 257.287 37.070 1.00 0.00 H ATOM 1034 N ALA A 121 5.220 259.389 36.180 1.00 17.92 N ATOM 1035 CA ALA A 121 4.345 259.518 35.027 1.00 17.80 C ATOM 1036 C ALA A 121 5.141 260.213 33.935 1.00 18.17 C ATOM 1037 O ALA A 121 5.821 261.208 34.197 1.00 19.46 O ATOM 1038 CB ALA A 121 3.123 260.327 35.383 1.00 21.75 C ATOM 1039 H ALA A 121 4.962 259.844 37.079 1.00 0.00 H ATOM 1040 N GLY A 122 5.080 259.680 32.717 1.00 18.03 N ATOM 1041 CA GLY A 122 5.778 260.269 31.588 1.00 20.15 C ATOM 1042 C GLY A 122 7.159 259.685 31.354 1.00 21.32 C ATOM 1043 O GLY A 122 7.803 259.972 30.346 1.00 24.83 O ATOM 1044 H GLY A 122 4.517 258.818 32.570 1.00 0.00 H ATOM 1045 N GLU A 123 7.607 258.859 32.293 1.00 18.86 N ATOM 1046 CA GLU A 123 8.912 258.216 32.214 1.00 21.10 C ATOM 1047 C GLU A 123 8.865 256.971 31.329 1.00 17.41 C ATOM 1048 O GLU A 123 7.983 256.131 31.485 1.00 17.67 O ATOM 1049 CB GLU A 123 9.379 257.839 33.626 1.00 23.89 C ATOM 1050 CG GLU A 123 10.591 256.923 33.680 1.00 27.20 C ATOM 1051 CD GLU A 123 11.086 256.670 35.097 1.00 26.94 C ATOM 1052 OE1 GLU A 123 10.323 256.882 36.067 1.00 21.86 O ATOM 1053 OE2 GLU A 123 12.254 256.255 35.247 1.00 33.30 O ATOM 1054 H GLU A 123 7.003 258.664 33.117 1.00 0.00 H ATOM 1055 N VAL A 124 9.815 256.853 30.402 1.00 19.64 N ATOM 1056 CA VAL A 124 9.971 255.607 29.658 1.00 19.53 C ATOM 1057 C VAL A 124 10.507 254.551 30.615 1.00 16.89 C ATOM 1058 O VAL A 124 11.584 254.726 31.202 1.00 17.52 O ATOM 1059 CB VAL A 124 10.930 255.740 28.465 1.00 18.96 C ATOM 1060 CG1 VAL A 124 11.110 254.389 27.781 1.00 17.99 C ATOM 1061 CG2 VAL A 124 10.421 256.773 27.477 1.00 22.47 C ATOM 1062 H VAL A 124 10.449 257.654 30.207 1.00 0.00 H ATOM 1063 N ILE A 125 9.766 253.461 30.780 1.00 16.18 N ATOM 1064 CA ILE A 125 10.140 252.423 31.739 1.00 18.69 C ATOM 1065 C ILE A 125 10.702 251.164 31.080 1.00 18.61 C ATOM 1066 O ILE A 125 11.354 250.355 31.735 1.00 19.53 O ATOM 1067 CB ILE A 125 8.959 252.029 32.650 1.00 25.04 C ATOM 1068 CG1 ILE A 125 7.823 251.413 31.831 1.00 21.99 C ATOM 1069 CG2 ILE A 125 8.462 253.234 33.430 1.00 25.24 C ATOM 1070 CD1 ILE A 125 6.678 250.893 32.680 1.00 24.18 C ATOM 1071 H ILE A 125 8.901 253.343 30.215 1.00 0.00 H ATOM 1072 N ALA A 126 10.442 251.001 29.788 1.00 15.12 N ATOM 1073 CA ALA A 126 10.947 249.854 29.045 1.00 15.56 C ATOM 1074 C ALA A 126 10.926 250.156 27.556 1.00 13.21 C ATOM 1075 O ALA A 126 10.098 250.930 27.084 1.00 13.33 O ATOM 1076 CB ALA A 126 10.132 248.609 29.358 1.00 17.06 C ATOM 1077 H ALA A 126 9.863 251.710 29.294 1.00 0.00 H ATOM 1078 N ARG A 127 11.865 249.564 26.830 1.00 13.63 N ATOM 1079 CA ARG A 127 11.951 249.712 25.389 1.00 14.50 C ATOM 1080 C ARG A 127 11.908 248.317 24.811 1.00 16.10 C ATOM 1081 O ARG A 127 12.812 247.513 25.046 1.00 16.64 O ATOM 1082 CB ARG A 127 13.245 250.427 24.997 1.00 17.20 C ATOM 1083 CG ARG A 127 13.387 251.778 25.676 1.00 16.82 C ATOM 1084 CD ARG A 127 14.695 252.470 25.317 1.00 20.41 C ATOM 1085 NE ARG A 127 14.976 253.579 26.227 1.00 26.25 N ATOM 1086 CZ ARG A 127 14.509 254.812 26.070 1.00 24.26 C ATOM 1087 NH1 ARG A 127 13.729 255.103 25.035 1.00 25.62 N ATOM 1088 NH2 ARG A 127 14.813 255.755 26.950 1.00 31.41 N ATOM 1089 HE ARG A 127 15.581 253.390 27.051 1.00 0.00 H ATOM 1090 HH12 ARG A 127 13.364 256.069 24.914 1.00 0.00 H ATOM 1091 HH11 ARG A 127 13.483 254.364 24.345 1.00 0.00 H ATOM 1092 HH22 ARG A 127 14.446 256.720 26.825 1.00 0.00 H ATOM 1093 HH21 ARG A 127 15.418 255.530 27.765 1.00 0.00 H ATOM 1094 H ARG A 127 12.568 248.969 27.313 1.00 0.00 H ATOM 1095 N ILE A 128 10.838 248.024 24.080 1.00 14.35 N ATOM 1096 CA ILE A 128 10.638 246.704 23.517 1.00 12.54 C ATOM 1097 C ILE A 128 10.819 246.754 22.010 1.00 14.15 C ATOM 1098 O ILE A 128 10.061 247.419 21.306 1.00 14.59 O ATOM 1099 CB ILE A 128 9.243 246.166 23.884 1.00 14.45 C ATOM 1100 CG1 ILE A 128 9.111 246.115 25.407 1.00 18.46 C ATOM 1101 CG2 ILE A 128 9.012 244.792 23.264 1.00 17.26 C ATOM 1102 CD1 ILE A 128 7.782 245.611 25.894 1.00 20.20 C ATOM 1103 H ILE A 128 10.125 248.761 23.907 1.00 0.00 H ATOM 1104 N HIS A 129 11.846 246.064 21.525 1.00 12.40 N ATOM 1105 CA HIS A 129 12.149 246.015 20.103 1.00 11.37 C ATOM 1106 C HIS A 129 11.433 244.833 19.470 1.00 12.28 C ATOM 1107 O HIS A 129 11.512 243.700 19.957 1.00 10.53 O ATOM 1108 CB HIS A 129 13.666 245.910 19.893 1.00 13.56 C ATOM 1109 CG HIS A 129 14.078 245.823 18.454 1.00 17.28 C ATOM 1110 ND1 HIS A 129 15.332 245.398 18.071 1.00 16.08 N ATOM 1111 CD2 HIS A 129 13.414 246.109 17.308 1.00 17.85 C ATOM 1112 CE1 HIS A 129 15.422 245.423 16.753 1.00 18.00 C ATOM 1113 NE2 HIS A 129 14.265 245.842 16.265 1.00 20.05 N ATOM 1114 H HIS A 129 12.455 245.540 22.186 1.00 0.00 H ATOM 1115 N MET A 130 10.716 245.116 18.390 1.00 13.06 N ATOM 1116 CA MET A 130 9.959 244.106 17.677 1.00 11.93 C ATOM 1117 C MET A 130 10.458 244.069 16.244 1.00 12.38 C ATOM 1118 O MET A 130 10.736 245.114 15.654 1.00 16.29 O ATOM 1119 CB MET A 130 8.473 244.451 17.708 1.00 12.37 C ATOM 1120 CG MET A 130 7.561 243.399 17.080 1.00 12.68 C ATOM 1121 SD MET A 130 5.819 243.825 17.262 1.00 12.62 S ATOM 1122 CE MET A 130 5.567 244.805 15.787 1.00 14.39 C ATOM 1123 H MET A 130 10.696 246.096 18.043 1.00 0.00 H ATOM 1124 N TYR A 131 10.569 242.870 15.686 1.00 11.26 N ATOM 1125 CA TYR A 131 11.044 242.681 14.320 1.00 12.00 C ATOM 1126 C TYR A 131 9.961 242.021 13.478 1.00 12.15 C ATOM 1127 O TYR A 131 9.323 241.064 13.930 1.00 12.74 O ATOM 1128 CB TYR A 131 12.301 241.811 14.328 1.00 10.82 C ATOM 1129 CG TYR A 131 12.878 241.525 12.963 1.00 11.00 C ATOM 1130 CD1 TYR A 131 13.586 242.499 12.274 1.00 12.08 C ATOM 1131 CD2 TYR A 131 12.761 240.266 12.388 1.00 11.03 C ATOM 1132 CE1 TYR A 131 14.142 242.231 11.036 1.00 11.72 C ATOM 1133 CE2 TYR A 131 13.315 239.987 11.150 1.00 12.72 C ATOM 1134 CZ TYR A 131 14.013 240.973 10.483 1.00 11.86 C ATOM 1135 OH TYR A 131 14.566 240.682 9.250 1.00 13.14 O ATOM 1136 HH TYR A 131 15.031 241.483 8.901 1.00 0.00 H ATOM 1137 H TYR A 131 10.307 242.033 16.244 1.00 0.00 H ATOM 1138 N LYS A 132 9.781 242.519 12.266 1.00 11.50 N ATOM 1139 CA LYS A 132 8.863 241.979 11.288 1.00 12.34 C ATOM 1140 C LYS A 132 9.575 241.593 9.976 1.00 12.11 C ATOM 1141 O LYS A 132 10.368 242.325 9.469 1.00 12.38 O ATOM 1142 CB LYS A 132 7.818 243.046 10.906 1.00 13.35 C ATOM 1143 CG LYS A 132 6.952 242.694 9.679 1.00 12.93 C ATOM 1144 CD LYS A 132 7.369 243.469 8.411 1.00 13.34 C ATOM 1145 CE LYS A 132 6.800 242.865 7.125 1.00 14.18 C ATOM 1146 NZ LYS A 132 6.922 243.808 5.959 1.00 13.36 N ATOM 1147 HZ1 LYS A 132 6.400 244.683 6.167 1.00 0.00 H ATOM 1148 HZ2 LYS A 132 7.925 244.031 5.798 1.00 0.00 H ATOM 1149 HZ3 LYS A 132 6.525 243.359 5.109 1.00 0.00 H ATOM 1150 H LYS A 132 10.338 243.356 11.998 1.00 0.00 H ATOM 1151 N ILE A 133 9.204 240.444 9.466 1.00 11.78 N ATOM 1152 CA ILE A 133 9.651 239.983 8.166 1.00 12.68 C ATOM 1153 C ILE A 133 8.501 239.179 7.576 1.00 13.41 C ATOM 1154 O ILE A 133 7.896 238.423 8.253 1.00 12.62 O ATOM 1155 CB ILE A 133 11.000 239.274 8.182 1.00 13.50 C ATOM 1156 CG1 ILE A 133 11.528 239.087 6.732 1.00 12.55 C ATOM 1157 CG2 ILE A 133 10.944 237.920 8.889 1.00 12.33 C ATOM 1158 CD1 ILE A 133 12.942 238.541 6.659 1.00 15.45 C ATOM 1159 H ILE A 133 8.563 239.838 10.016 1.00 0.00 H ATOM 1160 N ALA A 134 8.190 239.444 6.318 1.00 12.54 N ATOM 1161 CA ALA A 134 7.098 238.754 5.664 1.00 12.53 C ATOM 1162 C ALA A 134 7.559 237.506 4.955 1.00 13.23 C ATOM 1163 O ALA A 134 8.536 236.974 5.279 1.00 14.80 O ATOM 1164 CB ALA A 134 6.285 239.695 4.781 1.00 15.20 C ATOM 1165 H ALA A 134 8.736 240.156 5.793 1.00 0.00 H ATOM 1166 N THR A 135 6.794 237.063 3.964 1.00 13.66 N ATOM 1167 CA THR A 135 6.987 235.802 3.288 1.00 14.64 C ATOM 1168 C THR A 135 7.468 235.897 1.847 1.00 16.68 C ATOM 1169 O THR A 135 8.290 235.139 1.462 1.00 18.91 O ATOM 1170 CB THR A 135 5.647 235.009 3.330 1.00 15.90 C ATOM 1171 OG1 THR A 135 5.239 234.889 4.700 1.00 13.49 O ATOM 1172 CG2 THR A 135 5.730 233.576 2.755 1.00 17.86 C ATOM 1173 HG1 THR A 135 5.113 235.792 5.086 1.00 0.00 H ATOM 1174 H THR A 135 6.004 237.664 3.654 1.00 0.00 H ATOM 1175 N LEU A 136 6.921 236.835 1.119 1.00 17.52 N ATOM 1176 CA LEU A 136 7.265 236.984 -0.296 1.00 19.89 C ATOM 1177 C LEU A 136 8.472 237.894 -0.489 1.00 20.29 C ATOM 1178 O LEU A 136 8.743 238.767 0.334 1.00 21.22 O ATOM 1179 CB LEU A 136 6.068 237.519 -1.083 1.00 19.02 C ATOM 1180 CG LEU A 136 4.809 236.650 -1.026 1.00 20.38 C ATOM 1181 CD1 LEU A 136 3.667 237.299 -1.794 1.00 22.09 C ATOM 1182 CD2 LEU A 136 5.081 235.240 -1.539 1.00 23.67 C ATOM 1183 H LEU A 136 6.232 237.484 1.551 1.00 0.00 H ATOM 1184 N GLY A 137 9.194 237.682 -1.587 1.00 20.86 N ATOM 1185 CA GLY A 137 10.389 238.453 -1.876 1.00 23.24 C ATOM 1186 C GLY A 137 11.409 238.360 -0.759 1.00 21.98 C ATOM 1187 O GLY A 137 11.721 237.269 -0.283 1.00 24.86 O ATOM 1188 H GLY A 137 8.894 236.944 -2.256 1.00 0.00 H ATOM 1189 N SER A 138 11.919 239.517 -0.341 1.00 22.78 N ATOM 1190 CA SER A 138 12.898 239.613 0.735 1.00 24.23 C ATOM 1191 C SER A 138 12.204 239.578 2.087 1.00 21.88 C ATOM 1192 O SER A 138 12.849 239.428 3.126 1.00 22.91 O ATOM 1193 CB SER A 138 13.656 240.932 0.622 1.00 28.98 C ATOM 1194 OG SER A 138 12.791 242.022 0.903 1.00 26.32 O ATOM 1195 HG SER A 138 13.295 242.870 0.826 1.00 0.00 H ATOM 1196 H SER A 138 11.604 240.393 -0.804 1.00 0.00 H ATOM 1197 N GLY A 139 10.887 239.735 2.067 1.00 21.06 N ATOM 1198 CA GLY A 139 10.118 239.815 3.294 1.00 19.48 C ATOM 1199 C GLY A 139 9.975 241.234 3.811 1.00 17.53 C ATOM 1200 O GLY A 139 9.266 241.460 4.789 1.00 16.41 O ATOM 1201 H GLY A 139 10.396 239.802 1.153 1.00 0.00 H ATOM 1202 N ASN A 140 10.658 242.186 3.172 1.00 17.16 N ATOM 1203 CA ASN A 140 10.533 243.595 3.535 1.00 15.44 C ATOM 1204 C ASN A 140 10.640 243.811 5.046 1.00 14.97 C ATOM 1205 O ASN A 140 9.701 244.299 5.671 1.00 16.03 O ATOM 1206 CB ASN A 140 9.200 244.144 3.009 1.00 15.55 C ATOM 1207 CG ASN A 140 9.055 245.641 3.209 1.00 18.11 C ATOM 1208 OD1 ASN A 140 10.042 246.376 3.261 1.00 21.40 O ATOM 1209 ND2 ASN A 140 7.815 246.103 3.317 1.00 21.45 N ATOM 1210 HD22 ASN A 140 7.010 245.447 3.268 1.00 0.00 H ATOM 1211 HD21 ASN A 140 7.649 247.121 3.451 1.00 0.00 H ATOM 1212 H ASN A 140 11.296 241.918 2.396 1.00 0.00 H ATOM 1213 N PRO A 141 11.780 243.439 5.639 1.00 14.49 N ATOM 1214 CA PRO A 141 11.930 243.510 7.099 1.00 14.96 C ATOM 1215 C PRO A 141 11.797 244.921 7.652 1.00 14.01 C ATOM 1216 O PRO A 141 12.224 245.891 7.018 1.00 16.78 O ATOM 1217 CB PRO A 141 13.347 242.982 7.336 1.00 14.55 C ATOM 1218 CG PRO A 141 14.055 243.178 6.034 1.00 16.88 C ATOM 1219 CD PRO A 141 13.007 242.965 4.980 1.00 14.29 C ATOM 1220 N ARG A 142 11.200 245.029 8.836 1.00 13.95 N ATOM 1221 CA ARG A 142 10.988 246.310 9.485 1.00 13.69 C ATOM 1222 C ARG A 142 11.245 246.203 10.978 1.00 14.51 C ATOM 1223 O ARG A 142 10.992 245.162 11.591 1.00 14.86 O ATOM 1224 CB ARG A 142 9.547 246.784 9.277 1.00 15.45 C ATOM 1225 CG ARG A 142 9.145 247.000 7.828 1.00 18.28 C ATOM 1226 CD ARG A 142 9.692 248.311 7.291 1.00 20.51 C ATOM 1227 NE ARG A 142 9.162 248.614 5.965 1.00 25.36 N ATOM 1228 CZ ARG A 142 8.052 249.312 5.747 1.00 26.39 C ATOM 1229 NH1 ARG A 142 7.347 249.782 6.769 1.00 27.71 N ATOM 1230 NH2 ARG A 142 7.644 249.539 4.505 1.00 35.21 N ATOM 1231 HE ARG A 142 9.686 248.261 5.139 1.00 0.00 H ATOM 1232 HH12 ARG A 142 6.479 250.328 6.595 1.00 0.00 H ATOM 1233 HH11 ARG A 142 7.663 249.604 7.744 1.00 0.00 H ATOM 1234 HH22 ARG A 142 6.776 250.085 4.335 1.00 0.00 H ATOM 1235 HH21 ARG A 142 8.193 249.171 3.702 1.00 0.00 H ATOM 1236 H ARG A 142 10.874 244.165 9.314 1.00 0.00 H ATOM 1237 N ASN A 143 11.736 247.289 11.559 1.00 14.84 N ATOM 1238 CA ASN A 143 11.971 247.369 12.989 1.00 14.48 C ATOM 1239 C ASN A 143 10.963 248.284 13.641 1.00 14.18 C ATOM 1240 O ASN A 143 10.671 249.361 13.123 1.00 14.47 O ATOM 1241 CB ASN A 143 13.363 247.929 13.264 1.00 14.91 C ATOM 1242 CG ASN A 143 14.466 246.971 12.888 1.00 17.30 C ATOM 1243 OD1 ASN A 143 14.463 245.814 13.301 1.00 18.28 O ATOM 1244 ND2 ASN A 143 15.431 247.453 12.107 1.00 22.45 N ATOM 1245 HD22 ASN A 143 15.392 248.440 11.781 1.00 0.00 H ATOM 1246 HD21 ASN A 143 16.224 246.843 11.823 1.00 0.00 H ATOM 1247 H ASN A 143 11.961 248.114 10.968 1.00 0.00 H ATOM 1248 N PHE A 144 10.436 247.846 14.781 1.00 14.27 N ATOM 1249 CA PHE A 144 9.577 248.669 15.616 1.00 13.74 C ATOM 1250 C PHE A 144 10.185 248.743 17.006 1.00 12.59 C ATOM 1251 O PHE A 144 10.755 247.766 17.483 1.00 13.99 O ATOM 1252 CB PHE A 144 8.200 248.019 15.792 1.00 12.13 C ATOM 1253 CG PHE A 144 7.366 247.952 14.543 1.00 14.13 C ATOM 1254 CD1 PHE A 144 6.271 248.787 14.388 1.00 14.25 C ATOM 1255 CD2 PHE A 144 7.648 247.033 13.545 1.00 13.98 C ATOM 1256 CE1 PHE A 144 5.470 248.715 13.260 1.00 15.62 C ATOM 1257 CE2 PHE A 144 6.855 246.962 12.399 1.00 15.13 C ATOM 1258 CZ PHE A 144 5.768 247.810 12.261 1.00 14.87 C ATOM 1259 H PHE A 144 10.647 246.875 15.087 1.00 0.00 H ATOM 1260 N THR A 145 10.047 249.886 17.663 1.00 13.82 N ATOM 1261 CA THR A 145 10.338 249.962 19.086 1.00 14.31 C ATOM 1262 C THR A 145 9.126 250.511 19.822 1.00 12.50 C ATOM 1263 O THR A 145 8.553 251.522 19.419 1.00 15.31 O ATOM 1264 CB THR A 145 11.563 250.842 19.363 1.00 16.00 C ATOM 1265 OG1 THR A 145 12.693 250.277 18.691 1.00 16.62 O ATOM 1266 CG2 THR A 145 11.844 250.917 20.859 1.00 16.08 C ATOM 1267 HG1 THR A 145 12.514 250.244 17.718 1.00 0.00 H ATOM 1268 H THR A 145 9.728 250.736 17.156 1.00 0.00 H ATOM 1269 N TRP A 146 8.742 249.829 20.893 1.00 13.40 N ATOM 1270 CA TRP A 146 7.651 250.284 21.734 1.00 12.69 C ATOM 1271 C TRP A 146 8.242 250.854 23.017 1.00 13.33 C ATOM 1272 O TRP A 146 8.831 250.122 23.813 1.00 14.36 O ATOM 1273 CB TRP A 146 6.701 249.124 22.040 1.00 13.52 C ATOM 1274 CG TRP A 146 6.225 248.415 20.801 1.00 13.10 C ATOM 1275 CD1 TRP A 146 6.554 247.155 20.401 1.00 13.75 C ATOM 1276 CD2 TRP A 146 5.358 248.945 19.787 1.00 13.31 C ATOM 1277 NE1 TRP A 146 5.939 246.858 19.206 1.00 13.64 N ATOM 1278 CE2 TRP A 146 5.203 247.944 18.807 1.00 11.96 C ATOM 1279 CE3 TRP A 146 4.698 250.167 19.620 1.00 14.47 C ATOM 1280 CZ2 TRP A 146 4.409 248.123 17.676 1.00 12.89 C ATOM 1281 CZ3 TRP A 146 3.909 250.344 18.493 1.00 14.76 C ATOM 1282 CH2 TRP A 146 3.775 249.328 17.537 1.00 13.75 C ATOM 1283 HE1 TRP A 146 6.019 245.958 18.691 1.00 0.00 H ATOM 1284 H TRP A 146 9.235 248.946 21.136 1.00 0.00 H ATOM 1285 N ASN A 147 8.109 252.166 23.192 1.00 13.69 N ATOM 1286 CA ASN A 147 8.567 252.827 24.410 1.00 13.39 C ATOM 1287 C ASN A 147 7.411 252.863 25.390 1.00 13.24 C ATOM 1288 O ASN A 147 6.429 253.579 25.171 1.00 14.68 O ATOM 1289 CB ASN A 147 9.047 254.252 24.127 1.00 17.42 C ATOM 1290 CG ASN A 147 10.406 254.298 23.453 1.00 18.89 C ATOM 1291 OD1 ASN A 147 11.121 253.298 23.382 1.00 17.43 O ATOM 1292 ND2 ASN A 147 10.776 255.476 22.966 1.00 22.42 N ATOM 1293 HD22 ASN A 147 10.141 256.295 23.048 1.00 0.00 H ATOM 1294 HD21 ASN A 147 11.701 255.580 22.503 1.00 0.00 H ATOM 1295 H ASN A 147 7.667 252.735 22.442 1.00 0.00 H ATOM 1296 N ILE A 148 7.514 252.080 26.456 1.00 13.04 N ATOM 1297 CA ILE A 148 6.437 251.942 27.425 1.00 15.43 C ATOM 1298 C ILE A 148 6.545 253.056 28.451 1.00 16.22 C ATOM 1299 O ILE A 148 7.587 253.218 29.087 1.00 15.62 O ATOM 1300 CB ILE A 148 6.502 250.573 28.131 1.00 14.00 C ATOM 1301 CG1 ILE A 148 6.656 249.446 27.105 1.00 13.79 C ATOM 1302 CG2 ILE A 148 5.272 250.351 29.004 1.00 16.08 C ATOM 1303 CD1 ILE A 148 5.652 249.499 25.959 1.00 14.90 C ATOM 1304 H ILE A 148 8.394 251.547 26.604 1.00 0.00 H ATOM 1305 N ILE A 149 5.470 253.822 28.605 1.00 17.61 N ATOM 1306 CA ILE A 149 5.465 254.979 29.492 1.00 19.09 C ATOM 1307 C ILE A 149 4.296 254.913 30.460 1.00 20.11 C ATOM 1308 O ILE A 149 3.174 254.638 30.051 1.00 18.56 O ATOM 1309 CB ILE A 149 5.349 256.276 28.685 1.00 18.95 C ATOM 1310 CG1 ILE A 149 6.578 256.454 27.793 1.00 22.03 C ATOM 1311 CG2 ILE A 149 5.152 257.470 29.616 1.00 19.29 C ATOM 1312 CD1 ILE A 149 6.470 257.609 26.823 1.00 23.03 C ATOM 1313 H ILE A 149 4.605 253.589 28.076 1.00 0.00 H ATOM 1314 N SER A 150 4.550 255.169 31.740 1.00 20.57 N ATOM 1315 CA SER A 150 3.477 255.161 32.730 1.00 20.30 C ATOM 1316 C SER A 150 2.645 256.439 32.664 1.00 21.53 C ATOM 1317 O SER A 150 3.187 257.532 32.491 1.00 21.20 O ATOM 1318 CB SER A 150 4.033 254.975 34.147 1.00 22.88 C ATOM 1319 OG SER A 150 2.989 254.978 35.104 1.00 30.45 O ATOM 1320 HG SER A 150 3.372 254.857 36.009 1.00 0.00 H ATOM 1321 H SER A 150 5.524 255.377 32.039 1.00 0.00 H ATOM 1322 N ASN A 151 1.329 256.292 32.788 1.00 24.56 N ATOM 1323 CA ASN A 151 0.425 257.434 32.846 1.00 23.67 C ATOM 1324 C ASN A 151 0.428 258.075 34.224 1.00 26.74 C ATOM 1325 O ASN A 151 -0.050 259.195 34.401 1.00 23.77 O ATOM 1326 CB ASN A 151 -1.009 257.006 32.514 1.00 25.63 C ATOM 1327 CG ASN A 151 -1.296 257.010 31.025 1.00 23.78 C ATOM 1328 OD1 ASN A 151 -0.686 257.761 30.265 1.00 24.99 O ATOM 1329 ND2 ASN A 151 -2.240 256.172 30.604 1.00 26.01 N ATOM 1330 HD22 ASN A 151 -2.729 255.556 31.284 1.00 0.00 H ATOM 1331 HD21 ASN A 151 -2.489 256.133 29.595 1.00 0.00 H ATOM 1332 H ASN A 151 0.933 255.332 32.845 1.00 0.00 H ATOM 1333 N ASN A 152 0.959 257.356 35.205 1.00 22.90 N ATOM 1334 CA ASN A 152 0.850 257.793 36.589 1.00 22.40 C ATOM 1335 C ASN A 152 2.078 257.480 37.424 1.00 20.58 C ATOM 1336 O ASN A 152 2.940 256.699 37.020 1.00 21.48 O ATOM 1337 CB ASN A 152 -0.371 257.151 37.240 1.00 22.91 C ATOM 1338 CG ASN A 152 -0.329 255.634 37.186 1.00 25.56 C ATOM 1339 OD1 ASN A 152 -0.757 255.029 36.204 1.00 26.01 O ATOM 1340 ND2 ASN A 152 0.190 255.012 38.242 1.00 23.67 N ATOM 1341 HD22 ASN A 152 0.540 255.564 39.051 1.00 0.00 H ATOM 1342 HD21 ASN A 152 0.246 253.974 38.258 1.00 0.00 H ATOM 1343 H ASN A 152 1.458 256.471 34.983 1.00 0.00 H ATOM 1344 N SER A 153 2.140 258.099 38.598 1.00 18.08 N ATOM 1345 CA SER A 153 3.177 257.815 39.573 1.00 19.06 C ATOM 1346 C SER A 153 2.972 256.427 40.153 1.00 19.17 C ATOM 1347 O SER A 153 1.841 255.966 40.301 1.00 20.42 O ATOM 1348 CB SER A 153 3.113 258.830 40.716 1.00 18.42 C ATOM 1349 OG SER A 153 3.236 260.156 40.244 1.00 20.18 O ATOM 1350 HG SER A 153 2.499 260.350 39.612 1.00 0.00 H ATOM 1351 H SER A 153 1.419 258.813 38.827 1.00 0.00 H ATOM 1352 N VAL A 154 4.077 255.768 40.487 1.00 19.96 N ATOM 1353 CA VAL A 154 4.029 254.551 41.286 1.00 21.72 C ATOM 1354 C VAL A 154 4.905 254.789 42.509 1.00 21.86 C ATOM 1355 O VAL A 154 6.067 255.171 42.378 1.00 22.82 O ATOM 1356 CB VAL A 154 4.547 253.327 40.503 1.00 26.59 C ATOM 1357 CG1 VAL A 154 4.513 252.083 41.378 1.00 25.19 C ATOM 1358 CG2 VAL A 154 3.719 253.110 39.243 1.00 22.74 C ATOM 1359 H VAL A 154 4.999 256.130 40.170 1.00 0.00 H ATOM 1360 N VAL A 155 4.341 254.575 43.671 1.00 23.50 N ATOM 1361 CA VAL A 155 5.051 254.833 44.886 1.00 26.01 C ATOM 1362 C VAL A 155 5.338 253.611 45.687 1.00 28.56 C ATOM 1363 O VAL A 155 4.559 252.738 45.743 1.00 27.30 O ATOM 1364 CB VAL A 155 4.327 255.840 45.768 1.00 27.80 C ATOM 1365 CG1 VAL A 155 4.394 257.199 45.133 1.00 27.41 C ATOM 1366 CG2 VAL A 155 2.911 255.422 46.033 1.00 33.95 C ATOM 1367 H VAL A 155 3.367 254.214 43.711 1.00 0.00 H ATOM 1368 N MET A 156 6.524 253.659 46.288 1.00 27.99 N ATOM 1369 CA MET A 156 7.192 252.654 47.091 1.00 36.77 C ATOM 1370 C MET A 156 7.560 251.397 46.312 1.00 38.34 C ATOM 1371 O MET A 156 8.160 250.463 46.799 1.00 40.08 O ATOM 1372 CB MET A 156 6.460 252.362 48.370 1.00 39.52 C ATOM 1373 CG MET A 156 6.853 253.280 49.498 1.00 44.18 C ATOM 1374 SD MET A 156 6.703 252.917 51.276 1.00 53.42 S ATOM 1375 CE MET A 156 7.806 251.538 51.508 1.00 32.48 C ATOM 1376 H MET A 156 7.049 254.548 46.163 1.00 0.00 H TER 1377 MET A 156 HETATM 1378 O HOH 1 6.471 256.189 33.232 1.00 23.92 O HETATM 1379 O HOH 2 -1.491 249.761 44.146 1.00 40.69 O HETATM 1380 O HOH 3 -5.655 240.820 28.846 1.00 23.53 O HETATM 1381 O HOH 4 4.005 241.435 -0.806 1.00 27.95 O HETATM 1382 O HOH 5 17.302 245.159 34.379 1.00 30.01 O HETATM 1383 O HOH 6 -3.027 256.276 20.122 1.00 29.22 O HETATM 1384 O HOH 7 -4.045 251.629 7.638 1.00 39.61 O HETATM 1385 O HOH 8 8.537 240.714 37.554 1.00 30.89 O HETATM 1386 O HOH 9 1.364 256.482 20.895 1.00 28.61 O HETATM 1387 O HOH 10 10.977 230.453 22.850 1.00 21.45 O HETATM 1388 O HOH 11 5.543 230.713 14.315 1.00 18.48 O HETATM 1389 O HOH 12 13.179 249.647 16.176 1.00 24.18 O HETATM 1390 O HOH 13 11.191 235.060 33.971 1.00 23.32 O HETATM 1391 O HOH 14 11.346 236.013 2.018 1.00 38.14 O HETATM 1392 O HOH 15 -0.980 238.048 34.061 1.00 34.91 O HETATM 1393 O HOH 16 8.705 257.665 23.495 1.00 29.53 O HETATM 1394 O HOH 17 5.720 247.108 8.751 1.00 15.52 O HETATM 1395 O HOH 18 12.896 233.884 16.738 1.00 27.19 O HETATM 1396 O HOH 19 -4.765 252.621 12.181 1.00 28.12 O HETATM 1397 O HOH 20 1.170 256.901 43.421 1.00 32.78 O HETATM 1398 O HOH 21 10.130 235.096 6.306 1.00 30.03 O HETATM 1399 O HOH 22 12.422 246.674 4.440 1.00 24.43 O HETATM 1400 O HOH 23 -1.558 240.058 26.811 1.00 26.32 O HETATM 1401 O HOH 24 -3.093 254.217 27.025 1.00 26.08 O HETATM 1402 O HOH 25 5.536 246.075 6.285 1.00 20.59 O HETATM 1403 O HOH 26 0.000 232.240 18.402 1.00 17.56 O HETATM 1404 O HOH 27 8.317 262.105 33.818 1.00 29.56 O HETATM 1405 O HOH 28 -1.731 238.546 3.174 1.00 17.57 O HETATM 1406 O HOH 29 9.623 237.961 37.002 1.00 34.37 O HETATM 1407 O HOH 30 17.297 235.064 29.614 1.00 15.44 O HETATM 1408 O HOH 31 16.861 244.806 20.294 1.00 19.44 O HETATM 1409 O HOH 32 -6.800 233.306 11.467 1.00 17.38 O HETATM 1410 O HOH 33 6.498 251.583 16.878 1.00 17.11 O HETATM 1411 O HOH 34 10.017 237.302 12.859 1.00 14.25 O HETATM 1412 O HOH 35 -1.023 253.070 24.866 1.00 27.69 O HETATM 1413 O HOH 36 4.902 255.979 15.475 1.00 26.97 O HETATM 1414 O HOH 37 -1.708 230.846 3.212 1.00 18.90 O HETATM 1415 O HOH 38 13.644 253.498 22.390 1.00 27.34 O HETATM 1416 O HOH 39 16.715 231.434 21.344 1.00 21.95 O HETATM 1417 O HOH 40 6.857 240.928 1.621 1.00 19.56 O HETATM 1418 O HOH 41 -8.538 239.997 16.613 1.00 25.98 O HETATM 1419 O HOH 42 8.706 230.650 31.530 1.00 22.80 O HETATM 1420 O HOH 43 2.488 238.783 38.685 1.00 42.14 O HETATM 1421 O HOH 44 13.366 257.706 24.239 1.00 37.40 O HETATM 1422 O HOH 45 -1.391 254.297 16.559 1.00 18.56 O HETATM 1423 O HOH 46 16.441 242.573 8.563 1.00 15.01 O HETATM 1424 O HOH 47 -8.851 252.207 15.171 1.00 23.62 O HETATM 1425 O HOH 48 7.049 255.509 13.684 1.00 31.19 O HETATM 1426 O HOH 49 10.748 232.973 32.378 1.00 22.10 O HETATM 1427 O HOH 50 -3.120 250.803 30.656 1.00 26.31 O HETATM 1428 O HOH 51 -4.621 246.481 21.552 1.00 18.08 O HETATM 1429 O HOH 52 11.292 258.990 45.149 1.00 32.95 O HETATM 1430 O HOH 53 5.695 228.109 27.359 1.00 29.50 O HETATM 1431 O HOH 54 -4.395 249.491 19.065 1.00 17.03 O HETATM 1432 O HOH 55 -3.999 240.183 12.307 1.00 17.61 O HETATM 1433 O HOH 56 20.128 233.270 21.744 1.00 23.82 O HETATM 1434 O HOH 57 4.424 230.234 20.490 1.00 25.88 O HETATM 1435 O HOH 58 17.402 238.944 31.882 1.00 16.36 O HETATM 1436 O HOH 59 12.349 245.818 42.690 1.00 44.41 O HETATM 1437 O HOH 60 2.160 250.930 7.954 1.00 31.27 O HETATM 1438 O HOH 61 -1.841 234.298 14.664 1.00 31.30 O HETATM 1439 O HOH 62 -8.195 239.941 2.242 1.00 31.95 O HETATM 1440 O HOH 63 8.797 235.555 -3.365 1.00 37.07 O HETATM 1441 O HOH 64 11.926 258.687 30.057 1.00 29.72 O HETATM 1442 O HOH 65 -7.747 236.734 6.356 1.00 23.04 O HETATM 1443 O HOH 66 6.301 238.272 45.328 1.00 40.84 O HETATM 1444 O HOH 67 5.144 230.547 17.948 1.00 20.12 O HETATM 1445 O HOH 68 -2.616 235.749 13.334 1.00 30.07 O HETATM 1446 O HOH 69 -0.380 247.214 45.354 1.00 41.19 O HETATM 1447 O HOH 70 -4.494 245.568 0.672 1.00 29.47 O HETATM 1448 O HOH 71 15.422 236.521 27.986 1.00 12.49 O HETATM 1449 O HOH 72 13.113 253.748 15.507 1.00 30.38 O HETATM 1450 O HOH 73 20.195 245.520 33.410 1.00 37.56 O HETATM 1451 O HOH 74 -4.656 238.106 28.787 1.00 29.38 O HETATM 1452 O HOH 75 16.164 250.142 27.398 1.00 27.65 O HETATM 1453 O HOH 76 22.153 235.548 25.776 1.00 24.84 O HETATM 1454 O HOH 77 -6.659 250.817 24.278 1.00 32.81 O HETATM 1455 O HOH 78 -0.136 244.989 38.681 1.00 24.58 O HETATM 1456 O HOH 79 -3.196 253.837 37.251 1.00 33.33 O HETATM 1457 O HOH 80 5.027 258.085 19.846 1.00 25.06 O HETATM 1458 O HOH 81 -1.768 246.368 32.640 1.00 22.28 O HETATM 1459 O HOH 82 1.442 232.238 14.801 1.00 22.06 O HETATM 1460 O HOH 83 13.507 256.845 30.882 1.00 27.35 O HETATM 1461 O HOH 84 -3.444 238.482 21.972 1.00 24.70 O HETATM 1462 O HOH 85 12.493 249.572 9.960 1.00 22.24 O HETATM 1463 O HOH 86 -10.043 237.119 10.719 1.00 22.28 O HETATM 1464 O HOH 87 3.370 234.611 32.469 1.00 31.76 O HETATM 1465 O HOH 88 -4.387 242.181 32.345 1.00 32.65 O HETATM 1466 O HOH 89 -7.466 249.332 14.367 1.00 24.05 O HETATM 1467 O HOH 90 -7.420 233.689 1.538 1.00 27.44 O HETATM 1468 O HOH 91 14.767 247.139 7.699 1.00 22.09 O HETATM 1469 O HOH 92 -2.075 236.576 26.387 1.00 28.77 O HETATM 1470 O HOH 93 4.176 231.106 29.409 1.00 26.06 O HETATM 1471 O HOH 94 16.913 255.485 29.549 1.00 26.37 O HETATM 1472 O HOH 95 8.929 230.519 16.506 1.00 19.04 O HETATM 1473 O HOH 96 15.852 235.116 15.616 1.00 34.66 O HETATM 1474 O HOH 97 -3.288 256.826 27.929 1.00 33.26 O HETATM 1475 O HOH 98 -7.756 255.855 14.125 1.00 36.51 O HETATM 1476 O HOH 99 -2.581 258.243 16.087 1.00 36.65 O HETATM 1477 O HOH 100 -0.535 255.110 24.123 1.00 24.00 O HETATM 1478 O HOH 101 16.242 248.250 25.111 1.00 20.47 O HETATM 1479 O HOH 102 4.492 247.865 4.436 1.00 31.28 O HETATM 1480 O HOH 103 4.960 254.479 10.097 1.00 32.26 O HETATM 1481 O HOH 104 11.063 256.309 14.736 1.00 34.62 O HETATM 1482 O HOH 105 16.617 245.843 31.933 1.00 27.84 O HETATM 1483 O HOH 106 -5.764 248.977 22.014 1.00 28.28 O HETATM 1484 O HOH 107 -3.466 237.404 11.829 1.00 14.90 O HETATM 1485 O HOH 108 -2.054 250.271 7.073 1.00 29.21 O HETATM 1486 O HOH 109 -6.999 238.625 13.815 1.00 23.77 O HETATM 1487 O HOH 110 18.013 234.766 19.292 1.00 23.78 O HETATM 1488 O HOH 111 0.342 260.540 38.763 1.00 29.04 O HETATM 1489 O HOH 112 0.155 247.655 37.014 1.00 33.87 O HETATM 1490 O HOH 113 19.411 244.445 27.249 1.00 16.80 O HETATM 1491 O HOH 114 -6.041 243.011 -0.037 1.00 39.09 O HETATM 1492 O HOH 115 -0.583 257.694 40.993 1.00 31.93 O HETATM 1493 O HOH 116 -3.831 255.483 9.561 1.00 33.33 O HETATM 1494 O HOH 117 13.269 257.080 22.014 1.00 38.88 O HETATM 1495 O HOH 118 15.309 237.574 3.588 1.00 31.64 O HETATM 1496 O HOH 119 16.350 239.181 34.517 1.00 29.02 O HETATM 1497 O HOH 120 2.238 230.977 17.219 1.00 22.35 O HETATM 1498 O HOH 121 2.330 260.171 30.977 1.00 32.32 O HETATM 1499 O HOH 122 8.279 232.595 5.628 1.00 26.79 O HETATM 1500 O HOH 123 14.945 249.177 20.666 1.00 26.81 O HETATM 1501 O HOH 124 7.683 232.575 -0.346 1.00 31.73 O HETATM 1502 O HOH 125 -5.342 236.656 14.110 1.00 35.33 O HETATM 1503 O HOH 126 -9.979 234.914 9.610 1.00 37.33 O HETATM 1504 O HOH 127 13.217 235.138 14.361 1.00 25.82 O HETATM 1505 O HOH 128 15.061 249.040 9.257 1.00 32.19 O HETATM 1506 O HOH 129 5.643 258.237 17.659 1.00 38.75 O HETATM 1507 O HOH 130 12.797 251.560 11.813 1.00 32.21 O HETATM 1508 O HOH 131 15.554 243.128 2.416 1.00 33.94 O HETATM 1509 O HOH 132 -1.436 259.425 27.408 1.00 35.49 O HETATM 1510 O HOH 133 11.276 244.202 43.796 1.00 44.94 O HETATM 1511 O HOH 134 14.989 247.870 22.445 1.00 26.52 O HETATM 1512 O HOH 135 17.468 246.681 21.997 1.00 24.32 O HETATM 1513 O HOH 136 15.874 248.856 15.685 1.00 30.55 O HETATM 1514 O HOH 137 15.865 240.943 3.934 1.00 29.83 O HETATM 1515 O HOH 138 8.450 231.977 9.177 1.00 28.20 O HETATM 1516 O HOH 139 12.768 251.493 14.964 1.00 30.84 O HETATM 1517 O HOH 140 2.695 235.449 35.232 1.00 33.32 O HETATM 1518 O HOH 141 11.764 235.685 4.343 1.00 38.81 O HETATM 1519 O HOH 142 14.110 256.112 20.167 1.00 41.52 O HETATM 1520 O HOH 143 -3.093 232.547 -0.324 1.00 33.49 O HETATM 1521 O HOH 144 -8.529 234.470 13.794 1.00 20.58 O HETATM 1522 O HOH 145 15.742 251.062 11.270 1.00 41.24 O HETATM 1523 O HOH 146 -9.153 237.192 13.321 1.00 23.82 O HETATM 1524 O HOH 147 11.468 251.011 7.731 1.00 32.08 O HETATM 1525 O HOH 148 -3.346 238.666 24.804 1.00 25.29 O HETATM 1526 O HOH 149 11.865 254.319 11.245 1.00 38.21 O HETATM 1527 O HOH 150 -9.371 237.870 2.416 1.00 37.64 O HETATM 1528 O HOH 151 -4.944 233.799 -1.041 1.00 37.74 O HETATM 1529 O HOH 152 19.217 246.375 31.481 1.00 25.06 O HETATM 1530 O HOH 153 11.042 230.560 17.197 1.00 33.82 O HETATM 1531 O HOH 154 11.570 237.779 38.078 1.00 39.00 O HETATM 1532 O HOH 155 -6.945 238.277 16.673 1.00 28.56 O HETATM 1533 O HOH 156 9.085 231.634 3.170 1.00 34.83 O HETATM 1534 O HOH 157 6.734 263.820 30.417 1.00 35.65 O HETATM 1535 O HOH 158 22.331 234.196 28.203 1.00 39.16 O HETATM 1536 O HOH 159 -0.927 256.778 22.122 1.00 29.10 O HETATM 1537 O HOH 160 11.508 235.468 11.624 1.00 19.88 O HETATM 1538 O HOH 161 6.895 228.559 21.137 1.00 35.28 O HETATM 1539 O HOH 162 -6.135 237.913 19.978 1.00 33.22 O HETATM 1540 O HOH 163 13.089 234.689 35.528 1.00 30.59 O HETATM 1541 O HOH 164 21.708 234.329 30.460 1.00 34.70 O HETATM 1542 O HOH 165 18.138 236.305 31.944 1.00 17.86 O HETATM 1543 O HOH 166 6.895 228.704 17.652 1.00 27.77 O HETATM 1544 O HOH 167 0.426 256.178 17.950 1.00 27.97 O HETATM 1545 O HOH 168 -0.692 237.970 37.109 1.00 40.66 O HETATM 1546 O HOH 169 -11.577 237.898 14.399 1.00 27.91 O HETATM 1547 O HOH 170 -2.174 258.838 25.296 1.00 36.24 O HETATM 1548 O HOH 171 21.713 253.244 28.753 1.00 37.72 O HETATM 1549 O HOH 172 22.251 254.737 30.515 1.00 46.10 O HETATM 1550 C10 BQY A 173 -1.222 247.553 1.598 1.00 -0.08 C HETATM 1551 C09 BQY A 173 -0.816 246.264 1.250 1.00 -0.08 C HETATM 1552 C08 BQY A 173 0.440 245.790 1.650 1.00 -0.04 C HETATM 1553 C07 BQY A 173 1.285 246.613 2.395 1.00 0.12 C HETATM 1554 O06 BQY A 173 2.604 246.205 2.850 1.00 -0.29 O HETATM 1555 C05 BQY A 173 2.894 244.816 2.709 1.00 0.21 C HETATM 1556 C15 BQY A 173 4.381 244.643 2.986 1.00 0.14 C HETATM 1557 C17 BQY A 173 4.725 243.181 2.980 1.00 0.11 C HETATM 1558 O18 BQY A 173 6.108 243.033 3.304 1.00 -0.39 O HETATM 1559 H16 BQY A 173 6.335 242.111 3.303 1.00 0.21 H HETATM 1560 C19 BQY A 173 3.817 242.476 3.963 1.00 0.11 C HETATM 1561 C03 BQY A 173 2.369 242.747 3.560 1.00 0.11 C HETATM 1562 C02 BQY A 173 1.350 241.994 4.454 1.00 0.07 C HETATM 1563 O01 BQY A 173 1.254 242.611 5.692 1.00 -0.39 O HETATM 1564 H4 BQY A 173 2.105 242.604 6.115 1.00 0.21 H HETATM 1565 H5 BQY A 173 0.364 242.001 3.967 1.00 0.06 H HETATM 1566 H6 BQY A 173 1.684 240.955 4.590 1.00 0.06 H HETATM 1567 O04 BQY A 173 2.123 244.098 3.631 1.00 -0.34 O HETATM 1568 H7 BQY A 173 2.231 242.412 2.521 1.00 0.06 H HETATM 1569 O20 BQY A 173 4.096 242.965 5.264 1.00 -0.39 O HETATM 1570 H18 BQY A 173 3.524 242.538 5.891 1.00 0.21 H HETATM 1571 H17 BQY A 173 4.005 241.393 3.935 1.00 0.06 H HETATM 1572 H3 BQY A 173 4.551 242.766 1.976 1.00 0.06 H HETATM 1573 O16 BQY A 173 5.133 245.289 1.992 1.00 -0.38 O HETATM 1574 H15 BQY A 173 6.059 245.176 2.173 1.00 0.21 H HETATM 1575 H2 BQY A 173 4.622 245.075 3.968 1.00 0.07 H HETATM 1576 H8 BQY A 173 2.660 244.477 1.689 1.00 0.10 H HETATM 1577 C12 BQY A 173 0.872 247.895 2.742 1.00 0.12 C HETATM 1578 C11 BQY A 173 -0.381 248.369 2.342 1.00 -0.04 C HETATM 1579 H11 BQY A 173 -0.695 249.371 2.612 1.00 0.05 H HETATM 1580 O13 BQY A 173 1.756 248.701 3.497 1.00 -0.33 O HETATM 1581 C14 BQY A 173 1.163 249.494 4.499 1.00 0.06 C HETATM 1582 H12 BQY A 173 1.942 250.074 5.017 1.00 0.06 H HETATM 1583 H13 BQY A 173 0.647 248.846 5.222 1.00 0.06 H HETATM 1584 H14 BQY A 173 0.438 250.182 4.041 1.00 0.06 H HETATM 1585 H9 BQY A 173 0.754 244.788 1.382 1.00 0.05 H HETATM 1586 H10 BQY A 173 -1.474 245.628 0.669 1.00 0.05 H HETATM 1587 H1 BQY A 173 -2.195 247.917 1.287 1.00 0.05 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 28 27 355 CONECT 355 28 354 CONECT 989 990 993 994 995 CONECT 993 989 CONECT 994 989 CONECT 995 989 CONECT 1550 1551 1578 1587 CONECT 1551 1550 1552 1586 CONECT 1552 1551 1553 1585 CONECT 1553 1552 1554 1577 CONECT 1554 1553 1555 CONECT 1555 1554 1556 1567 1576 CONECT 1556 1555 1557 1573 1575 CONECT 1557 1556 1558 1560 1572 CONECT 1558 1557 1559 CONECT 1559 1558 CONECT 1560 1557 1561 1569 1571 CONECT 1561 1560 1562 1567 1568 CONECT 1562 1561 1563 1565 1566 CONECT 1563 1562 1564 CONECT 1564 1563 CONECT 1565 1562 CONECT 1566 1562 CONECT 1567 1555 1561 CONECT 1568 1561 CONECT 1569 1560 1570 CONECT 1570 1569 CONECT 1571 1560 CONECT 1572 1557 CONECT 1573 1556 1574 CONECT 1574 1573 CONECT 1575 1556 CONECT 1576 1555 CONECT 1577 1553 1578 1580 CONECT 1578 1550 1577 1579 CONECT 1579 1578 CONECT 1580 1577 1581 CONECT 1581 1580 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 CONECT 1585 1552 CONECT 1586 1551 CONECT 1587 1550 MASTER 0 0 0 0 0 0 0 0 1585 2 48 13 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 6arn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5lne
RCSB PDB
PDBbind
164aa, >5LNE_1|Chains... at 100%
6as8
RCSB PDB
PDBbind
166aa, >6AS8_1|Chains... at 100%
6aro
RCSB PDB
PDBbind
166aa, >6ARO_1|Chains... at 100%
6aoy
RCSB PDB
PDBbind
166aa, >6AOY_1|Chains... at 100%
6aox
RCSB PDB
PDBbind
166aa, >6AOX_1|Chains... *
6arm
RCSB PDB
PDBbind
166aa, >6ARM_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6arn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Putative Fml fimbrial adhesin FmlD
Ligand Name
BQY
EC.Number
E.C.-.-.-.-
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Kd=6.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Proc.Natl.Acad.Sci.USA Vol. 115: pp. E2819-E2828
Ligand Properties
Formula
C
1
3
H
1
8
O
7
Molecular Weight
286.278
Exact Mass
286.105
No. of atoms
38
No. of bonds
39
Polar Surface Area
108.61
LOGP Value
-0.27 (
Computed with XLOGP3
)
-1.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@@H](Oc2ccccc2OC)[C@@H]([C@H]([C@H]1O)O)O
InChI String
InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q1RBS0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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