Browse entries in the PDBbind-CN Database
HEADER 5D47_COMPLEX COMPND 5D47_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP LYS SEQRES 2 A 135 LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS GLU SEQRES 3 A 135 VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY MET SEQRES 4 A 135 ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP VAL SEQRES 5 A 135 ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR GLU SEQRES 6 A 135 ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL THR SEQRES 7 A 135 ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU ASP SEQRES 8 A 135 GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY LYS SEQRES 9 A 135 SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS LEU SEQRES 10 A 135 VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR ARG SEQRES 11 A 135 VAL TYR GLU ARG ALA HET L A 19 54 ATOM 1 N GLY A -3 6.854 22.952 -7.403 1.00 49.47 N ATOM 2 CA GLY A -3 7.314 21.637 -7.952 1.00 45.82 C ATOM 3 C GLY A -3 7.950 20.706 -6.922 1.00 45.15 C ATOM 4 O GLY A -3 8.084 21.057 -5.749 1.00 47.37 O ATOM 5 HN3 GLY A -3 7.666 23.460 -6.997 1.00 0.00 H ATOM 6 HN2 GLY A -3 6.141 22.787 -6.664 1.00 0.00 H ATOM 7 HN1 GLY A -3 6.436 23.519 -8.168 1.00 0.00 H ATOM 8 N SER A -2 8.366 19.529 -7.391 1.00 43.40 N ATOM 9 CA SER A -2 8.875 18.418 -6.559 1.00 40.19 C ATOM 10 C SER A -2 10.002 18.834 -5.607 1.00 38.44 C ATOM 11 O SER A -2 10.845 19.684 -5.920 1.00 33.31 O ATOM 12 CB SER A -2 9.374 17.260 -7.463 1.00 47.93 C ATOM 13 OG SER A -2 9.058 15.955 -6.959 1.00 61.32 O ATOM 14 HG SER A -2 8.076 15.863 -6.878 1.00 0.00 H ATOM 15 H SER A -2 8.330 19.381 -8.420 1.00 0.00 H ATOM 16 N HIS A -1 10.018 18.227 -4.435 1.00 30.51 N ATOM 17 CA HIS A -1 11.174 18.366 -3.552 1.00 29.49 C ATOM 18 C HIS A -1 11.637 16.989 -3.127 1.00 24.39 C ATOM 19 O HIS A -1 10.911 15.998 -3.278 1.00 22.74 O ATOM 20 CB HIS A -1 10.827 19.229 -2.337 1.00 34.02 C ATOM 21 CG HIS A -1 10.789 20.730 -2.618 1.00 46.62 C ATOM 22 ND1 HIS A -1 11.578 21.620 -1.955 1.00 53.38 N ATOM 23 CD2 HIS A -1 10.030 21.488 -3.523 1.00 51.88 C ATOM 24 CE1 HIS A -1 11.323 22.878 -2.407 1.00 53.78 C ATOM 25 NE2 HIS A -1 10.387 22.795 -3.366 1.00 52.72 N ATOM 26 H HIS A -1 9.206 17.648 -4.139 1.00 0.00 H ATOM 27 N MET A 0 12.848 16.901 -2.583 1.00 23.07 N ATOM 28 CA MET A 0 13.354 15.624 -2.068 1.00 20.81 C ATOM 29 C MET A 0 12.362 14.999 -1.042 1.00 21.79 C ATOM 30 O MET A 0 12.152 13.767 -1.074 1.00 20.74 O ATOM 31 CB MET A 0 14.784 15.817 -1.489 1.00 22.35 C ATOM 32 CG MET A 0 15.438 14.555 -0.946 1.00 20.01 C ATOM 33 SD MET A 0 15.067 14.247 0.793 1.00 20.94 S ATOM 34 CE MET A 0 15.304 12.484 0.832 1.00 21.83 C ATOM 35 H MET A 0 13.445 17.750 -2.522 1.00 0.00 H ATOM 36 N CYS A 1 11.803 15.822 -0.138 1.00 20.34 N ATOM 37 CA CYS A 1 10.847 15.312 0.916 1.00 27.14 C ATOM 38 C CYS A 1 9.630 14.574 0.334 1.00 24.57 C ATOM 39 O CYS A 1 9.002 13.760 1.005 1.00 25.32 O ATOM 40 CB CYS A 1 10.388 16.428 1.892 1.00 32.13 C ATOM 41 SG CYS A 1 10.604 15.918 3.641 1.00 53.00 S ATOM 42 H CYS A 1 12.034 16.836 -0.164 1.00 0.00 H ATOM 43 N ASP A 2 9.282 14.832 -0.922 1.00 23.12 N ATOM 44 CA ASP A 2 8.242 14.024 -1.537 1.00 25.78 C ATOM 45 C ASP A 2 8.454 12.467 -1.480 1.00 25.14 C ATOM 46 O ASP A 2 7.436 11.796 -1.591 1.00 24.24 O ATOM 47 CB ASP A 2 7.931 14.538 -2.932 1.00 31.41 C ATOM 48 CG ASP A 2 7.402 16.003 -2.931 1.00 33.59 C ATOM 49 OD1 ASP A 2 6.964 16.609 -1.914 1.00 35.66 O ATOM 50 OD2 ASP A 2 7.425 16.591 -4.013 1.00 42.13 O ATOM 51 H ASP A 2 9.744 15.597 -1.454 1.00 0.00 H ATOM 52 N ALA A 3 9.705 11.925 -1.270 1.00 22.07 N ATOM 53 CA ALA A 3 10.042 10.518 -0.946 1.00 21.40 C ATOM 54 C ALA A 3 9.287 10.016 0.351 1.00 18.93 C ATOM 55 O ALA A 3 9.124 8.781 0.598 1.00 20.88 O ATOM 56 CB ALA A 3 11.508 10.337 -0.644 1.00 21.21 C ATOM 57 H ALA A 3 10.508 12.582 -1.348 1.00 0.00 H ATOM 58 N PHE A 4 8.995 10.974 1.223 1.00 15.33 N ATOM 59 CA PHE A 4 8.242 10.658 2.481 1.00 14.13 C ATOM 60 C PHE A 4 6.752 10.727 2.331 1.00 13.14 C ATOM 61 O PHE A 4 6.021 10.136 3.137 1.00 11.78 O ATOM 62 CB PHE A 4 8.677 11.623 3.615 1.00 12.59 C ATOM 63 CG PHE A 4 10.099 11.385 4.088 1.00 13.99 C ATOM 64 CD1 PHE A 4 10.415 10.269 4.889 1.00 14.53 C ATOM 65 CD2 PHE A 4 11.102 12.273 3.738 1.00 14.25 C ATOM 66 CE1 PHE A 4 11.725 10.044 5.288 1.00 16.18 C ATOM 67 CE2 PHE A 4 12.447 12.076 4.170 1.00 15.89 C ATOM 68 CZ PHE A 4 12.748 10.968 4.925 1.00 15.11 C ATOM 69 H PHE A 4 9.291 11.952 1.032 1.00 0.00 H ATOM 70 N VAL A 5 6.266 11.423 1.327 1.00 11.21 N ATOM 71 CA VAL A 5 4.845 11.683 1.223 1.00 12.16 C ATOM 72 C VAL A 5 4.037 10.460 0.966 1.00 13.17 C ATOM 73 O VAL A 5 4.393 9.643 0.052 1.00 14.15 O ATOM 74 CB VAL A 5 4.576 12.759 0.153 1.00 13.91 C ATOM 75 CG1 VAL A 5 3.083 12.776 -0.209 1.00 14.52 C ATOM 76 CG2 VAL A 5 5.084 14.165 0.680 1.00 13.53 C ATOM 77 H VAL A 5 6.910 11.791 0.598 1.00 0.00 H ATOM 78 N GLY A 6 2.897 10.321 1.653 1.00 11.42 N ATOM 79 CA GLY A 6 2.059 9.144 1.388 1.00 13.12 C ATOM 80 C GLY A 6 1.414 8.587 2.629 1.00 15.04 C ATOM 81 O GLY A 6 1.360 9.259 3.685 1.00 14.93 O ATOM 82 H GLY A 6 2.611 11.030 2.358 1.00 0.00 H ATOM 83 N THR A 7 0.885 7.378 2.522 1.00 14.04 N ATOM 84 CA THR A 7 0.216 6.744 3.646 1.00 14.03 C ATOM 85 C THR A 7 1.000 5.486 3.971 1.00 12.64 C ATOM 86 O THR A 7 1.265 4.660 3.080 1.00 13.97 O ATOM 87 CB THR A 7 -1.218 6.369 3.254 1.00 15.55 C ATOM 88 OG1 THR A 7 -1.845 7.530 2.613 1.00 18.88 O ATOM 89 CG2 THR A 7 -2.002 5.953 4.453 1.00 18.25 C ATOM 90 HG1 THR A 7 -1.328 7.779 1.806 1.00 0.00 H ATOM 91 H THR A 7 0.949 6.872 1.616 1.00 0.00 H ATOM 92 N TRP A 8 1.352 5.317 5.239 1.00 12.27 N ATOM 93 CA TRP A 8 2.301 4.275 5.644 1.00 10.89 C ATOM 94 C TRP A 8 1.663 3.500 6.792 1.00 12.56 C ATOM 95 O TRP A 8 0.877 4.104 7.538 1.00 13.19 O ATOM 96 CB TRP A 8 3.595 4.928 6.178 1.00 12.20 C ATOM 97 CG TRP A 8 4.315 5.761 5.176 1.00 10.87 C ATOM 98 CD1 TRP A 8 4.148 7.150 4.891 1.00 11.05 C ATOM 99 CD2 TRP A 8 5.256 5.258 4.197 1.00 10.49 C ATOM 100 NE1 TRP A 8 4.972 7.511 3.855 1.00 11.53 N ATOM 101 CE2 TRP A 8 5.681 6.432 3.408 1.00 10.89 C ATOM 102 CE3 TRP A 8 5.872 3.991 3.953 1.00 11.53 C ATOM 103 CZ2 TRP A 8 6.626 6.326 2.393 1.00 11.34 C ATOM 104 CZ3 TRP A 8 6.810 3.894 2.870 1.00 11.75 C ATOM 105 CH2 TRP A 8 7.134 5.045 2.089 1.00 12.49 C ATOM 106 HE1 TRP A 8 5.047 8.472 3.464 1.00 0.00 H ATOM 107 H TRP A 8 0.944 5.940 5.965 1.00 0.00 H ATOM 108 N LYS A 9 1.900 2.175 6.857 1.00 12.57 N ATOM 109 CA LYS A 9 1.390 1.414 8.039 1.00 12.25 C ATOM 110 C LYS A 9 2.513 0.652 8.716 1.00 11.27 C ATOM 111 O LYS A 9 3.452 0.194 8.100 1.00 11.63 O ATOM 112 CB LYS A 9 0.392 0.416 7.675 1.00 16.35 C ATOM 113 CG LYS A 9 0.461 -0.018 6.318 1.00 24.58 C ATOM 114 CD LYS A 9 1.273 -1.230 6.248 1.00 29.97 C ATOM 115 CE LYS A 9 0.282 -2.191 5.607 1.00 33.40 C ATOM 116 NZ LYS A 9 0.883 -2.796 4.397 1.00 37.20 N ATOM 117 HZ1 LYS A 9 1.124 -2.045 3.719 1.00 0.00 H ATOM 118 HZ2 LYS A 9 1.745 -3.315 4.662 1.00 0.00 H ATOM 119 HZ3 LYS A 9 0.202 -3.451 3.964 1.00 0.00 H ATOM 120 H LYS A 9 2.426 1.692 6.101 1.00 0.00 H ATOM 121 N LEU A 10 2.434 0.550 10.008 1.00 11.30 N ATOM 122 CA LEU A 10 3.535 -0.042 10.805 1.00 12.97 C ATOM 123 C LEU A 10 3.555 -1.535 10.560 1.00 14.39 C ATOM 124 O LEU A 10 2.537 -2.199 10.745 1.00 17.21 O ATOM 125 CB LEU A 10 3.260 0.140 12.305 1.00 12.24 C ATOM 126 CG LEU A 10 4.375 -0.369 13.204 1.00 14.15 C ATOM 127 CD1 LEU A 10 5.530 0.623 13.115 1.00 13.10 C ATOM 128 CD2 LEU A 10 3.785 -0.347 14.623 1.00 15.17 C ATOM 129 H LEU A 10 1.580 0.891 10.494 1.00 0.00 H ATOM 130 N VAL A 11 4.711 -2.027 10.184 1.00 14.57 N ATOM 131 CA VAL A 11 4.923 -3.490 10.003 1.00 15.73 C ATOM 132 C VAL A 11 5.785 -4.178 11.010 1.00 18.70 C ATOM 133 O VAL A 11 5.708 -5.417 11.148 1.00 22.51 O ATOM 134 CB VAL A 11 5.250 -3.850 8.554 1.00 17.49 C ATOM 135 CG1 VAL A 11 4.113 -3.312 7.707 1.00 15.96 C ATOM 136 CG2 VAL A 11 6.624 -3.296 8.069 1.00 15.98 C ATOM 137 H VAL A 11 5.503 -1.377 10.007 1.00 0.00 H ATOM 138 N SER A 12 6.644 -3.451 11.699 1.00 16.67 N ATOM 139 CA SER A 12 7.414 -4.105 12.762 1.00 16.77 C ATOM 140 C SER A 12 7.905 -3.078 13.743 1.00 16.81 C ATOM 141 O SER A 12 8.028 -1.866 13.434 1.00 15.07 O ATOM 142 CB SER A 12 8.553 -4.928 12.254 1.00 21.60 C ATOM 143 OG SER A 12 9.427 -4.104 11.615 1.00 22.56 O ATOM 144 HG SER A 12 9.759 -3.421 12.250 1.00 0.00 H ATOM 145 H SER A 12 6.772 -2.440 11.493 1.00 0.00 H ATOM 146 N SER A 13 8.163 -3.574 14.951 1.00 17.41 N ATOM 147 CA SER A 13 8.539 -2.675 16.075 1.00 15.98 C ATOM 148 C SER A 13 9.568 -3.454 16.891 1.00 19.33 C ATOM 149 O SER A 13 9.290 -4.628 17.219 1.00 22.65 O ATOM 150 CB SER A 13 7.308 -2.335 16.927 1.00 17.05 C ATOM 151 OG SER A 13 7.627 -1.462 18.004 1.00 19.64 O ATOM 152 HG SER A 13 6.808 -1.270 18.525 1.00 0.00 H ATOM 153 H SER A 13 8.101 -4.600 15.111 1.00 0.00 H ATOM 154 N GLU A 14 10.719 -2.870 17.185 1.00 15.09 N ATOM 155 CA GLU A 14 11.724 -3.534 17.996 1.00 16.02 C ATOM 156 C GLU A 14 12.055 -2.538 19.126 1.00 14.04 C ATOM 157 O GLU A 14 12.385 -1.381 18.823 1.00 13.23 O ATOM 158 CB GLU A 14 13.025 -3.700 17.213 1.00 18.32 C ATOM 159 CG GLU A 14 13.017 -4.550 15.933 1.00 22.07 C ATOM 160 CD GLU A 14 14.036 -4.069 14.874 1.00 23.01 C ATOM 161 OE1 GLU A 14 15.211 -3.726 15.183 1.00 26.40 O ATOM 162 OE2 GLU A 14 13.661 -3.995 13.683 1.00 26.79 O ATOM 163 H GLU A 14 10.908 -1.912 16.826 1.00 0.00 H ATOM 164 N ASN A 15 12.067 -3.066 20.352 1.00 12.03 N ATOM 165 CA ASN A 15 12.518 -2.363 21.564 1.00 12.48 C ATOM 166 C ASN A 15 11.707 -1.137 21.889 1.00 11.84 C ATOM 167 O ASN A 15 12.188 -0.269 22.582 1.00 12.24 O ATOM 168 CB ASN A 15 13.965 -1.986 21.407 1.00 14.24 C ATOM 169 CG ASN A 15 14.838 -3.019 21.967 1.00 16.37 C ATOM 170 OD1 ASN A 15 14.968 -3.146 23.205 1.00 18.74 O ATOM 171 ND2 ASN A 15 15.373 -3.812 21.103 1.00 19.78 N ATOM 172 HD22 ASN A 15 15.225 -3.650 20.086 1.00 0.00 H ATOM 173 HD21 ASN A 15 15.953 -4.614 21.422 1.00 0.00 H ATOM 174 H ASN A 15 11.733 -4.045 20.459 1.00 0.00 H ATOM 175 N PHE A 16 10.446 -1.085 21.465 1.00 11.68 N ATOM 176 CA PHE A 16 9.696 0.128 21.725 1.00 11.93 C ATOM 177 C PHE A 16 9.320 0.264 23.209 1.00 12.58 C ATOM 178 O PHE A 16 9.229 1.373 23.765 1.00 12.06 O ATOM 179 CB PHE A 16 8.475 0.112 20.803 1.00 11.37 C ATOM 180 CG PHE A 16 7.700 1.435 20.740 1.00 14.43 C ATOM 181 CD1 PHE A 16 8.321 2.609 20.347 1.00 12.88 C ATOM 182 CD2 PHE A 16 6.330 1.420 20.997 1.00 15.60 C ATOM 183 CE1 PHE A 16 7.572 3.795 20.214 1.00 15.19 C ATOM 184 CE2 PHE A 16 5.574 2.593 20.865 1.00 13.00 C ATOM 185 CZ PHE A 16 6.194 3.754 20.550 1.00 12.72 C ATOM 186 H PHE A 16 10.014 -1.887 20.964 1.00 0.00 H ATOM 187 N ASP A 17 9.018 -0.880 23.867 1.00 14.06 N ATOM 188 CA ASP A 17 8.686 -0.774 25.281 1.00 13.24 C ATOM 189 C ASP A 17 9.870 -0.216 26.069 1.00 13.41 C ATOM 190 O ASP A 17 9.663 0.703 26.908 1.00 12.70 O ATOM 191 CB ASP A 17 8.299 -2.136 25.859 1.00 14.81 C ATOM 192 CG ASP A 17 7.759 -2.041 27.276 1.00 17.23 C ATOM 193 OD1 ASP A 17 8.389 -2.584 28.236 1.00 19.63 O ATOM 194 OD2 ASP A 17 6.694 -1.462 27.453 1.00 18.79 O ATOM 195 H ASP A 17 9.023 -1.800 23.381 1.00 0.00 H ATOM 196 N ASP A 18 11.076 -0.656 25.754 1.00 12.32 N ATOM 197 CA ASP A 18 12.279 -0.093 26.442 1.00 15.12 C ATOM 198 C ASP A 18 12.553 1.369 26.109 1.00 14.18 C ATOM 199 O ASP A 18 12.932 2.128 27.001 1.00 13.25 O ATOM 200 CB ASP A 18 13.512 -0.924 26.118 1.00 17.26 C ATOM 201 CG ASP A 18 13.541 -2.291 26.954 1.00 26.42 C ATOM 202 OD1 ASP A 18 12.978 -2.355 28.064 1.00 32.84 O ATOM 203 OD2 ASP A 18 14.138 -3.240 26.489 1.00 33.40 O ATOM 204 H ASP A 18 11.188 -1.393 25.029 1.00 0.00 H ATOM 205 N TYR A 19 12.284 1.755 24.859 1.00 12.26 N ATOM 206 CA TYR A 19 12.375 3.162 24.508 1.00 9.81 C ATOM 207 C TYR A 19 11.347 3.968 25.337 1.00 9.76 C ATOM 208 O TYR A 19 11.686 4.992 25.939 1.00 10.25 O ATOM 209 CB TYR A 19 12.108 3.356 22.997 1.00 10.29 C ATOM 210 CG TYR A 19 11.912 4.835 22.624 1.00 10.07 C ATOM 211 CD1 TYR A 19 13.003 5.698 22.544 1.00 10.57 C ATOM 212 CD2 TYR A 19 10.605 5.346 22.439 1.00 10.67 C ATOM 213 CE1 TYR A 19 12.823 7.042 22.201 1.00 9.51 C ATOM 214 CE2 TYR A 19 10.394 6.698 22.108 1.00 9.68 C ATOM 215 CZ TYR A 19 11.486 7.543 22.060 1.00 10.04 C ATOM 216 OH TYR A 19 11.260 8.891 21.760 1.00 10.25 O ATOM 217 HH TYR A 19 12.123 9.377 21.759 1.00 0.00 H ATOM 218 H TYR A 19 12.011 1.053 24.142 1.00 0.00 H ATOM 219 N MET A 20 10.102 3.484 25.401 1.00 10.02 N ATOM 220 CA MET A 20 9.090 4.227 26.141 1.00 9.57 C ATOM 221 C MET A 20 9.477 4.252 27.649 1.00 10.33 C ATOM 222 O MET A 20 9.224 5.265 28.312 1.00 10.30 O ATOM 223 CB MET A 20 7.679 3.643 25.966 1.00 9.69 C ATOM 224 CG MET A 20 7.120 3.910 24.548 1.00 10.92 C ATOM 225 SD MET A 20 5.413 3.370 24.559 1.00 13.81 S ATOM 226 CE MET A 20 5.631 1.648 24.657 1.00 12.88 C ATOM 227 H MET A 20 9.859 2.590 24.929 1.00 0.00 H ATOM 228 N LYS A 21 10.028 3.158 28.178 1.00 12.01 N ATOM 229 CA LYS A 21 10.518 3.279 29.588 1.00 12.50 C ATOM 230 C LYS A 21 11.525 4.360 29.830 1.00 13.16 C ATOM 231 O LYS A 21 11.440 5.082 30.865 1.00 14.11 O ATOM 232 CB LYS A 21 11.108 1.930 30.073 1.00 14.24 C ATOM 233 CG LYS A 21 10.031 0.936 30.464 1.00 14.74 C ATOM 234 CD LYS A 21 10.707 -0.389 30.737 1.00 17.76 C ATOM 235 CE LYS A 21 9.796 -1.324 31.478 1.00 20.96 C ATOM 236 NZ LYS A 21 10.502 -2.604 31.771 1.00 23.99 N ATOM 237 HZ1 LYS A 21 10.795 -3.049 30.878 1.00 0.00 H ATOM 238 HZ2 LYS A 21 11.341 -2.410 32.355 1.00 0.00 H ATOM 239 HZ3 LYS A 21 9.861 -3.242 32.284 1.00 0.00 H ATOM 240 H LYS A 21 10.112 2.271 27.641 1.00 0.00 H ATOM 241 N GLU A 22 12.443 4.533 28.870 1.00 13.02 N ATOM 242 CA GLU A 22 13.505 5.545 28.992 1.00 14.61 C ATOM 243 C GLU A 22 12.900 6.915 28.939 1.00 15.01 C ATOM 244 O GLU A 22 13.361 7.829 29.649 1.00 17.04 O ATOM 245 CB GLU A 22 14.566 5.299 27.923 1.00 17.62 C ATOM 246 CG GLU A 22 15.957 5.762 28.260 1.00 22.00 C ATOM 247 CD GLU A 22 16.604 4.965 29.397 1.00 25.86 C ATOM 248 OE1 GLU A 22 16.238 3.810 29.693 1.00 28.19 O ATOM 249 OE2 GLU A 22 17.540 5.492 29.962 1.00 37.61 O ATOM 250 H GLU A 22 12.405 3.938 28.018 1.00 0.00 H ATOM 251 N VAL A 23 11.870 7.092 28.098 1.00 13.23 N ATOM 252 CA VAL A 23 11.177 8.349 27.938 1.00 14.30 C ATOM 253 C VAL A 23 10.461 8.683 29.257 1.00 15.28 C ATOM 254 O VAL A 23 10.326 9.866 29.612 1.00 15.44 O ATOM 255 CB VAL A 23 10.215 8.292 26.716 1.00 13.62 C ATOM 256 CG1 VAL A 23 9.259 9.512 26.714 1.00 13.82 C ATOM 257 CG2 VAL A 23 11.091 8.300 25.446 1.00 14.75 C ATOM 258 H VAL A 23 11.553 6.280 27.530 1.00 0.00 H ATOM 259 N GLY A 24 10.067 7.637 30.039 1.00 13.95 N ATOM 260 CA GLY A 24 9.309 7.837 31.270 1.00 13.96 C ATOM 261 C GLY A 24 7.818 7.538 31.139 1.00 14.01 C ATOM 262 O GLY A 24 7.004 7.936 32.005 1.00 16.34 O ATOM 263 H GLY A 24 10.314 6.669 29.750 1.00 0.00 H ATOM 264 N VAL A 25 7.403 6.797 30.099 1.00 12.26 N ATOM 265 CA VAL A 25 5.993 6.445 29.926 1.00 11.89 C ATOM 266 C VAL A 25 5.552 5.403 30.958 1.00 13.37 C ATOM 267 O VAL A 25 6.252 4.421 31.170 1.00 13.67 O ATOM 268 CB VAL A 25 5.735 5.861 28.508 1.00 11.59 C ATOM 269 CG1 VAL A 25 4.245 5.679 28.264 1.00 12.83 C ATOM 270 CG2 VAL A 25 6.377 6.811 27.435 1.00 11.44 C ATOM 271 H VAL A 25 8.099 6.466 29.401 1.00 0.00 H ATOM 272 N GLY A 26 4.405 5.646 31.573 1.00 13.26 N ATOM 273 CA GLY A 26 3.952 4.764 32.659 1.00 16.64 C ATOM 274 C GLY A 26 3.387 3.473 32.093 1.00 15.07 C ATOM 275 O GLY A 26 3.126 3.360 30.878 1.00 13.56 O ATOM 276 H GLY A 26 3.824 6.461 31.288 1.00 0.00 H ATOM 277 N PHE A 27 3.177 2.486 32.976 1.00 13.31 N ATOM 278 CA PHE A 27 2.928 1.149 32.539 1.00 13.34 C ATOM 279 C PHE A 27 1.707 1.011 31.616 1.00 13.12 C ATOM 280 O PHE A 27 1.845 0.361 30.546 1.00 15.16 O ATOM 281 CB PHE A 27 2.737 0.277 33.847 1.00 13.13 C ATOM 282 CG PHE A 27 2.394 -1.134 33.559 1.00 14.04 C ATOM 283 CD1 PHE A 27 3.400 -2.098 33.467 1.00 15.19 C ATOM 284 CD2 PHE A 27 1.042 -1.521 33.407 1.00 14.96 C ATOM 285 CE1 PHE A 27 3.045 -3.438 33.115 1.00 16.24 C ATOM 286 CE2 PHE A 27 0.696 -2.864 33.084 1.00 14.01 C ATOM 287 CZ PHE A 27 1.710 -3.805 32.977 1.00 14.03 C ATOM 288 H PHE A 27 3.196 2.697 33.994 1.00 0.00 H ATOM 289 N ALA A 28 0.558 1.552 32.016 1.00 12.09 N ATOM 290 CA ALA A 28 -0.683 1.240 31.309 1.00 11.55 C ATOM 291 C ALA A 28 -0.571 1.881 29.920 1.00 12.05 C ATOM 292 O ALA A 28 -0.917 1.267 28.897 1.00 13.64 O ATOM 293 CB ALA A 28 -1.900 1.754 32.027 1.00 13.14 C ATOM 294 H ALA A 28 0.543 2.197 32.832 1.00 0.00 H ATOM 295 N THR A 29 -0.012 3.095 29.887 1.00 12.66 N ATOM 296 CA THR A 29 0.194 3.762 28.581 1.00 12.61 C ATOM 297 C THR A 29 1.120 2.952 27.709 1.00 13.10 C ATOM 298 O THR A 29 0.838 2.788 26.489 1.00 14.00 O ATOM 299 CB THR A 29 0.633 5.239 28.780 1.00 13.54 C ATOM 300 OG1 THR A 29 -0.448 5.904 29.444 1.00 15.72 O ATOM 301 CG2 THR A 29 0.783 5.919 27.459 1.00 14.32 C ATOM 302 HG1 THR A 29 -0.618 5.466 30.315 1.00 0.00 H ATOM 303 H THR A 29 0.275 3.566 30.769 1.00 0.00 H ATOM 304 N ARG A 30 2.255 2.476 28.251 1.00 11.03 N ATOM 305 CA ARG A 30 3.173 1.633 27.446 1.00 11.96 C ATOM 306 C ARG A 30 2.478 0.444 26.884 1.00 13.21 C ATOM 307 O ARG A 30 2.705 0.062 25.725 1.00 12.03 O ATOM 308 CB ARG A 30 4.429 1.149 28.243 1.00 11.67 C ATOM 309 CG ARG A 30 5.393 2.272 28.592 1.00 12.68 C ATOM 310 CD ARG A 30 6.773 1.661 28.848 1.00 11.27 C ATOM 311 NE ARG A 30 6.684 0.451 29.702 1.00 12.90 N ATOM 312 CZ ARG A 30 6.529 0.481 31.034 1.00 14.00 C ATOM 313 NH1 ARG A 30 6.426 1.651 31.725 1.00 12.96 N ATOM 314 NH2 ARG A 30 6.440 -0.694 31.693 1.00 14.83 N ATOM 315 HE ARG A 30 6.746 -0.478 29.239 1.00 0.00 H ATOM 316 HH12 ARG A 30 6.307 1.636 32.758 1.00 0.00 H ATOM 317 HH11 ARG A 30 6.467 2.559 31.219 1.00 0.00 H ATOM 318 HH22 ARG A 30 6.319 -0.703 32.726 1.00 0.00 H ATOM 319 HH21 ARG A 30 6.492 -1.590 31.168 1.00 0.00 H ATOM 320 H ARG A 30 2.490 2.700 29.239 1.00 0.00 H ATOM 321 N LYS A 31 1.636 -0.205 27.704 1.00 12.23 N ATOM 322 CA LYS A 31 1.054 -1.488 27.214 1.00 13.72 C ATOM 323 C LYS A 31 0.104 -1.180 26.067 1.00 12.38 C ATOM 324 O LYS A 31 0.104 -1.949 25.041 1.00 13.46 O ATOM 325 CB LYS A 31 0.232 -2.181 28.347 1.00 13.89 C ATOM 326 CG LYS A 31 1.153 -2.575 29.493 1.00 17.50 C ATOM 327 CD LYS A 31 2.082 -3.688 29.073 1.00 19.43 C ATOM 328 CE LYS A 31 3.511 -3.249 29.246 1.00 23.66 C ATOM 329 NZ LYS A 31 4.347 -4.464 29.185 1.00 25.82 N ATOM 330 HZ1 LYS A 31 4.067 -5.114 29.947 1.00 0.00 H ATOM 331 HZ2 LYS A 31 4.214 -4.929 28.264 1.00 0.00 H ATOM 332 HZ3 LYS A 31 5.347 -4.202 29.301 1.00 0.00 H ATOM 333 H LYS A 31 1.399 0.172 28.644 1.00 0.00 H ATOM 334 N VAL A 32 -0.775 -0.171 26.250 1.00 11.56 N ATOM 335 CA VAL A 32 -1.761 0.091 25.206 1.00 12.70 C ATOM 336 C VAL A 32 -1.074 0.728 23.949 1.00 13.21 C ATOM 337 O VAL A 32 -1.410 0.401 22.757 1.00 14.66 O ATOM 338 CB VAL A 32 -2.852 0.992 25.784 1.00 13.50 C ATOM 339 CG1 VAL A 32 -3.713 1.566 24.663 1.00 12.80 C ATOM 340 CG2 VAL A 32 -3.696 0.139 26.764 1.00 11.11 C ATOM 341 H VAL A 32 -0.750 0.406 27.115 1.00 0.00 H ATOM 342 N ALA A 33 -0.105 1.611 24.196 1.00 11.98 N ATOM 343 CA ALA A 33 0.671 2.192 23.067 1.00 12.65 C ATOM 344 C ALA A 33 1.452 1.147 22.282 1.00 12.60 C ATOM 345 O ALA A 33 1.588 1.229 21.055 1.00 12.40 O ATOM 346 CB ALA A 33 1.599 3.343 23.528 1.00 12.36 C ATOM 347 H ALA A 33 0.107 1.892 25.174 1.00 0.00 H ATOM 348 N GLY A 34 2.034 0.172 22.973 1.00 11.52 N ATOM 349 CA GLY A 34 2.893 -0.796 22.287 1.00 12.59 C ATOM 350 C GLY A 34 2.072 -1.765 21.459 1.00 14.11 C ATOM 351 O GLY A 34 2.614 -2.356 20.556 1.00 15.40 O ATOM 352 H GLY A 34 1.880 0.097 23.999 1.00 0.00 H ATOM 353 N MET A 35 0.759 -1.894 21.755 1.00 11.60 N ATOM 354 CA MET A 35 -0.124 -2.729 20.991 1.00 13.01 C ATOM 355 C MET A 35 -0.527 -2.061 19.633 1.00 13.46 C ATOM 356 O MET A 35 -0.869 -2.767 18.692 1.00 12.64 O ATOM 357 CB MET A 35 -1.437 -3.067 21.747 1.00 12.57 C ATOM 358 CG MET A 35 -1.222 -4.065 22.877 1.00 13.19 C ATOM 359 SD MET A 35 -0.779 -5.649 22.249 1.00 15.43 S ATOM 360 CE MET A 35 -2.130 -6.192 21.286 1.00 15.62 C ATOM 361 H MET A 35 0.375 -1.369 22.566 1.00 0.00 H ATOM 362 N ALA A 36 -0.439 -0.728 19.568 1.00 12.94 N ATOM 363 CA ALA A 36 -1.026 -0.011 18.421 1.00 12.64 C ATOM 364 C ALA A 36 -0.237 -0.302 17.130 1.00 13.17 C ATOM 365 O ALA A 36 0.988 -0.508 17.151 1.00 13.11 O ATOM 366 CB ALA A 36 -1.039 1.477 18.699 1.00 14.05 C ATOM 367 H ALA A 36 0.042 -0.199 20.324 1.00 0.00 H ATOM 368 N LYS A 37 -0.961 -0.295 16.018 1.00 12.69 N ATOM 369 CA LYS A 37 -0.354 -0.514 14.677 1.00 14.49 C ATOM 370 C LYS A 37 -0.753 0.739 13.861 1.00 14.63 C ATOM 371 O LYS A 37 -1.687 0.720 13.040 1.00 13.05 O ATOM 372 CB LYS A 37 -0.899 -1.818 14.065 1.00 17.20 C ATOM 373 CG LYS A 37 -0.415 -3.045 14.897 1.00 24.13 C ATOM 374 CD LYS A 37 0.985 -3.369 14.457 1.00 30.57 C ATOM 375 CE LYS A 37 1.436 -4.762 14.890 1.00 38.40 C ATOM 376 NZ LYS A 37 2.569 -5.258 14.018 1.00 41.94 N ATOM 377 HZ1 LYS A 37 2.250 -5.301 13.029 1.00 0.00 H ATOM 378 HZ2 LYS A 37 3.375 -4.606 14.095 1.00 0.00 H ATOM 379 HZ3 LYS A 37 2.857 -6.206 14.333 1.00 0.00 H ATOM 380 H LYS A 37 -1.986 -0.131 16.086 1.00 0.00 H ATOM 381 N PRO A 38 -0.093 1.879 14.152 1.00 13.55 N ATOM 382 CA PRO A 38 -0.551 3.106 13.515 1.00 13.22 C ATOM 383 C PRO A 38 -0.328 3.147 12.015 1.00 13.26 C ATOM 384 O PRO A 38 0.629 2.533 11.487 1.00 14.95 O ATOM 385 CB PRO A 38 0.315 4.200 14.159 1.00 14.25 C ATOM 386 CG PRO A 38 1.337 3.468 14.963 1.00 16.02 C ATOM 387 CD PRO A 38 1.119 2.020 14.968 1.00 15.90 C ATOM 388 N ASN A 39 -1.228 3.894 11.376 1.00 13.69 N ATOM 389 CA ASN A 39 -0.907 4.494 10.077 1.00 16.00 C ATOM 390 C ASN A 39 -0.266 5.862 10.218 1.00 13.41 C ATOM 391 O ASN A 39 -0.605 6.629 11.134 1.00 15.22 O ATOM 392 CB ASN A 39 -2.095 4.548 9.195 1.00 16.51 C ATOM 393 CG ASN A 39 -2.496 3.154 8.658 1.00 20.23 C ATOM 394 OD1 ASN A 39 -1.777 2.162 8.789 1.00 21.32 O ATOM 395 ND2 ASN A 39 -3.582 3.114 8.011 1.00 25.91 N ATOM 396 HD22 ASN A 39 -4.165 3.970 7.920 1.00 0.00 H ATOM 397 HD21 ASN A 39 -3.892 2.225 7.570 1.00 0.00 H ATOM 398 H ASN A 39 -2.164 4.052 11.801 1.00 0.00 H ATOM 399 N MET A 40 0.643 6.207 9.305 1.00 12.13 N ATOM 400 CA MET A 40 1.349 7.492 9.388 1.00 12.42 C ATOM 401 C MET A 40 1.090 8.123 8.040 1.00 13.02 C ATOM 402 O MET A 40 1.263 7.440 7.011 1.00 14.29 O ATOM 403 CB MET A 40 2.863 7.316 9.632 1.00 13.14 C ATOM 404 CG MET A 40 3.614 8.630 9.527 1.00 14.41 C ATOM 405 SD MET A 40 5.329 8.468 9.966 1.00 16.68 S ATOM 406 CE MET A 40 5.890 7.038 9.069 1.00 16.85 C ATOM 407 H MET A 40 0.855 5.556 8.522 1.00 0.00 H ATOM 408 N ILE A 41 0.561 9.331 8.028 1.00 11.56 N ATOM 409 CA ILE A 41 0.195 10.009 6.719 1.00 12.56 C ATOM 410 C ILE A 41 1.092 11.246 6.672 1.00 11.42 C ATOM 411 O ILE A 41 1.072 12.075 7.621 1.00 12.40 O ATOM 412 CB ILE A 41 -1.274 10.409 6.691 1.00 14.46 C ATOM 413 CG1 ILE A 41 -2.130 9.116 6.753 1.00 17.24 C ATOM 414 CG2 ILE A 41 -1.579 11.168 5.431 1.00 16.25 C ATOM 415 CD1 ILE A 41 -2.831 8.824 8.067 1.00 23.18 C ATOM 416 H ILE A 41 0.392 9.826 8.927 1.00 0.00 H ATOM 417 N ILE A 42 1.892 11.369 5.611 1.00 9.97 N ATOM 418 CA ILE A 42 2.827 12.491 5.557 1.00 9.62 C ATOM 419 C ILE A 42 2.451 13.260 4.267 1.00 11.00 C ATOM 420 O ILE A 42 2.379 12.647 3.171 1.00 10.66 O ATOM 421 CB ILE A 42 4.305 12.031 5.444 1.00 9.35 C ATOM 422 CG1 ILE A 42 4.682 11.230 6.717 1.00 10.24 C ATOM 423 CG2 ILE A 42 5.272 13.213 5.289 1.00 9.81 C ATOM 424 CD1 ILE A 42 6.058 10.608 6.607 1.00 10.41 C ATOM 425 H ILE A 42 1.851 10.678 4.835 1.00 0.00 H ATOM 426 N SER A 43 2.274 14.564 4.400 1.00 11.34 N ATOM 427 CA SER A 43 1.923 15.378 3.247 1.00 12.37 C ATOM 428 C SER A 43 2.723 16.674 3.304 1.00 13.17 C ATOM 429 O SER A 43 3.165 17.113 4.380 1.00 11.47 O ATOM 430 CB SER A 43 0.418 15.609 3.234 1.00 15.95 C ATOM 431 OG SER A 43 0.076 16.419 4.318 1.00 19.80 O ATOM 432 HG SER A 43 0.549 17.285 4.243 1.00 0.00 H ATOM 433 H SER A 43 2.386 15.009 5.333 1.00 0.00 H ATOM 434 N VAL A 44 2.837 17.353 2.133 1.00 12.27 N ATOM 435 CA VAL A 44 3.663 18.573 2.055 1.00 14.40 C ATOM 436 C VAL A 44 2.808 19.560 1.290 1.00 14.84 C ATOM 437 O VAL A 44 2.114 19.147 0.306 1.00 15.17 O ATOM 438 CB VAL A 44 5.020 18.376 1.344 1.00 15.54 C ATOM 439 CG1 VAL A 44 5.793 19.685 1.401 1.00 17.54 C ATOM 440 CG2 VAL A 44 5.815 17.340 2.116 1.00 18.60 C ATOM 441 H VAL A 44 2.339 17.011 1.286 1.00 0.00 H ATOM 442 N ASN A 45 2.717 20.784 1.805 1.00 12.98 N ATOM 443 CA ASN A 45 1.919 21.853 1.059 1.00 11.98 C ATOM 444 C ASN A 45 2.778 23.103 1.213 1.00 15.10 C ATOM 445 O ASN A 45 2.908 23.663 2.283 1.00 12.92 O ATOM 446 CB ASN A 45 0.553 21.942 1.674 1.00 12.57 C ATOM 447 CG ASN A 45 -0.368 22.963 1.002 1.00 13.08 C ATOM 448 OD1 ASN A 45 -1.644 22.780 1.000 1.00 15.89 O ATOM 449 ND2 ASN A 45 0.220 24.069 0.615 1.00 12.16 N ATOM 450 HD22 ASN A 45 1.257 24.144 0.644 1.00 0.00 H ATOM 451 HD21 ASN A 45 -0.350 24.871 0.279 1.00 0.00 H ATOM 452 H ASN A 45 3.184 21.011 2.706 1.00 0.00 H ATOM 453 N GLY A 46 3.404 23.545 0.125 1.00 16.07 N ATOM 454 CA GLY A 46 4.391 24.654 0.257 1.00 16.76 C ATOM 455 C GLY A 46 5.520 24.275 1.174 1.00 16.63 C ATOM 456 O GLY A 46 6.217 23.263 0.979 1.00 18.68 O ATOM 457 H GLY A 46 3.207 23.122 -0.805 1.00 0.00 H ATOM 458 N ASP A 47 5.717 25.106 2.199 1.00 15.40 N ATOM 459 CA ASP A 47 6.849 24.878 3.103 1.00 14.59 C ATOM 460 C ASP A 47 6.411 24.094 4.290 1.00 12.96 C ATOM 461 O ASP A 47 7.231 23.819 5.167 1.00 12.33 O ATOM 462 CB ASP A 47 7.442 26.186 3.606 1.00 18.94 C ATOM 463 CG ASP A 47 8.175 26.989 2.506 1.00 23.75 C ATOM 464 OD1 ASP A 47 8.728 26.399 1.568 1.00 23.35 O ATOM 465 OD2 ASP A 47 8.210 28.219 2.677 1.00 30.07 O ATOM 466 H ASP A 47 5.074 25.908 2.355 1.00 0.00 H ATOM 467 N VAL A 48 5.130 23.754 4.356 1.00 11.46 N ATOM 468 CA VAL A 48 4.589 23.099 5.566 1.00 10.66 C ATOM 469 C VAL A 48 4.524 21.580 5.367 1.00 11.30 C ATOM 470 O VAL A 48 3.850 21.073 4.447 1.00 11.99 O ATOM 471 CB VAL A 48 3.184 23.653 5.902 1.00 11.19 C ATOM 472 CG1 VAL A 48 2.652 22.952 7.127 1.00 10.84 C ATOM 473 CG2 VAL A 48 3.278 25.180 6.168 1.00 12.47 C ATOM 474 H VAL A 48 4.502 23.950 3.551 1.00 0.00 H ATOM 475 N ILE A 49 5.063 20.831 6.331 1.00 9.04 N ATOM 476 CA ILE A 49 5.005 19.391 6.220 1.00 9.96 C ATOM 477 C ILE A 49 4.014 18.974 7.342 1.00 9.85 C ATOM 478 O ILE A 49 4.024 19.558 8.441 1.00 8.83 O ATOM 479 CB ILE A 49 6.413 18.766 6.510 1.00 10.13 C ATOM 480 CG1 ILE A 49 7.448 19.321 5.521 1.00 10.51 C ATOM 481 CG2 ILE A 49 6.284 17.243 6.606 1.00 11.59 C ATOM 482 CD1 ILE A 49 8.901 18.909 5.854 1.00 13.04 C ATOM 483 H ILE A 49 5.519 21.278 7.152 1.00 0.00 H ATOM 484 N THR A 50 3.149 18.028 7.065 1.00 9.35 N ATOM 485 CA THR A 50 2.208 17.575 8.095 1.00 9.97 C ATOM 486 C THR A 50 2.462 16.066 8.248 1.00 9.54 C ATOM 487 O THR A 50 2.577 15.296 7.251 1.00 8.78 O ATOM 488 CB THR A 50 0.727 17.782 7.657 1.00 10.72 C ATOM 489 OG1 THR A 50 0.457 19.176 7.470 1.00 11.54 O ATOM 490 CG2 THR A 50 -0.229 17.153 8.616 1.00 11.58 C ATOM 491 HG1 THR A 50 1.056 19.536 6.769 1.00 0.00 H ATOM 492 H THR A 50 3.130 17.600 6.117 1.00 0.00 H ATOM 493 N ILE A 51 2.582 15.619 9.513 1.00 8.91 N ATOM 494 CA ILE A 51 2.680 14.170 9.831 1.00 9.68 C ATOM 495 C ILE A 51 1.519 13.790 10.762 1.00 10.64 C ATOM 496 O ILE A 51 1.393 14.376 11.848 1.00 11.37 O ATOM 497 CB ILE A 51 4.011 13.865 10.521 1.00 9.59 C ATOM 498 CG1 ILE A 51 5.137 14.204 9.560 1.00 10.03 C ATOM 499 CG2 ILE A 51 4.062 12.357 10.927 1.00 11.21 C ATOM 500 CD1 ILE A 51 6.504 13.986 10.180 1.00 11.56 C ATOM 501 H ILE A 51 2.607 16.309 10.291 1.00 0.00 H ATOM 502 N LYS A 52 0.655 12.884 10.308 1.00 11.81 N ATOM 503 CA LYS A 52 -0.458 12.449 11.101 1.00 13.21 C ATOM 504 C LYS A 52 -0.268 11.021 11.462 1.00 14.53 C ATOM 505 O LYS A 52 0.316 10.259 10.680 1.00 14.26 O ATOM 506 CB LYS A 52 -1.797 12.549 10.373 1.00 15.16 C ATOM 507 CG LYS A 52 -2.116 13.807 9.673 1.00 22.82 C ATOM 508 CD LYS A 52 -3.510 13.595 9.022 1.00 26.68 C ATOM 509 CE LYS A 52 -4.544 13.016 9.973 1.00 31.37 C ATOM 510 NZ LYS A 52 -5.704 12.321 9.330 1.00 41.22 N ATOM 511 HZ1 LYS A 52 -6.213 12.991 8.719 1.00 0.00 H ATOM 512 HZ2 LYS A 52 -5.356 11.525 8.758 1.00 0.00 H ATOM 513 HZ3 LYS A 52 -6.346 11.966 10.067 1.00 0.00 H ATOM 514 H LYS A 52 0.790 12.483 9.358 1.00 0.00 H ATOM 515 N SER A 53 -0.736 10.647 12.662 1.00 14.30 N ATOM 516 CA SER A 53 -0.701 9.239 13.051 1.00 16.41 C ATOM 517 C SER A 53 -2.122 8.852 13.400 1.00 17.78 C ATOM 518 O SER A 53 -2.807 9.649 14.084 1.00 22.66 O ATOM 519 CB SER A 53 0.113 9.119 14.313 1.00 21.49 C ATOM 520 OG SER A 53 0.299 7.740 14.579 1.00 31.08 O ATOM 521 HG SER A 53 0.833 7.634 15.406 1.00 0.00 H ATOM 522 H SER A 53 -1.123 11.358 13.315 1.00 0.00 H ATOM 523 N GLU A 54 -2.598 7.727 12.890 1.00 13.86 N ATOM 524 CA GLU A 54 -3.926 7.293 13.216 1.00 16.99 C ATOM 525 C GLU A 54 -3.799 5.930 13.846 1.00 14.06 C ATOM 526 O GLU A 54 -3.230 5.041 13.198 1.00 13.79 O ATOM 527 CB GLU A 54 -4.721 7.120 11.945 1.00 22.50 C ATOM 528 CG GLU A 54 -5.123 8.450 11.365 1.00 32.12 C ATOM 529 CD GLU A 54 -6.274 8.267 10.410 1.00 40.82 C ATOM 530 OE1 GLU A 54 -6.316 7.200 9.734 1.00 43.74 O ATOM 531 OE2 GLU A 54 -7.113 9.193 10.369 1.00 49.27 O ATOM 532 H GLU A 54 -2.008 7.156 12.251 1.00 0.00 H ATOM 533 N SER A 55 -4.361 5.735 15.027 1.00 13.65 N ATOM 534 CA SER A 55 -4.301 4.408 15.595 1.00 14.98 C ATOM 535 C SER A 55 -5.433 4.207 16.569 1.00 15.68 C ATOM 536 O SER A 55 -6.204 5.147 16.865 1.00 16.11 O ATOM 537 CB SER A 55 -2.969 4.056 16.268 1.00 17.13 C ATOM 538 OG SER A 55 -2.826 4.561 17.601 1.00 15.95 O ATOM 539 HG SER A 55 -2.890 5.549 17.587 1.00 0.00 H ATOM 540 H SER A 55 -4.832 6.513 15.532 1.00 0.00 H ATOM 541 N THR A 56 -5.529 2.993 17.097 1.00 17.29 N ATOM 542 CA THR A 56 -6.597 2.740 18.099 1.00 16.87 C ATOM 543 C THR A 56 -6.176 3.367 19.418 1.00 17.74 C ATOM 544 O THR A 56 -7.036 3.560 20.308 1.00 21.67 O ATOM 545 CB THR A 56 -6.781 1.213 18.376 1.00 17.78 C ATOM 546 OG1 THR A 56 -5.512 0.702 18.749 1.00 24.23 O ATOM 547 CG2 THR A 56 -7.157 0.519 17.117 1.00 17.37 C ATOM 548 HG1 THR A 56 -5.589 -0.268 18.933 1.00 0.00 H ATOM 549 H THR A 56 -4.872 2.237 16.816 1.00 0.00 H ATOM 550 N PHE A 57 -4.865 3.671 19.567 1.00 17.84 N ATOM 551 CA PHE A 57 -4.360 4.337 20.812 1.00 18.80 C ATOM 552 C PHE A 57 -4.649 5.845 20.818 1.00 22.74 C ATOM 553 O PHE A 57 -5.279 6.402 21.750 1.00 20.06 O ATOM 554 CB PHE A 57 -2.859 4.067 21.001 1.00 18.27 C ATOM 555 CG PHE A 57 -2.249 4.840 22.084 1.00 19.76 C ATOM 556 CD1 PHE A 57 -2.760 4.779 23.382 1.00 22.57 C ATOM 557 CD2 PHE A 57 -1.162 5.644 21.829 1.00 20.61 C ATOM 558 CE1 PHE A 57 -2.177 5.530 24.409 1.00 25.29 C ATOM 559 CE2 PHE A 57 -0.580 6.396 22.853 1.00 22.61 C ATOM 560 CZ PHE A 57 -1.090 6.322 24.142 1.00 24.94 C ATOM 561 H PHE A 57 -4.197 3.439 18.805 1.00 0.00 H ATOM 562 N LYS A 58 -4.197 6.525 19.758 1.00 18.98 N ATOM 563 CA LYS A 58 -4.324 7.961 19.726 1.00 20.30 C ATOM 564 C LYS A 58 -4.244 8.363 18.263 1.00 19.49 C ATOM 565 O LYS A 58 -3.603 7.688 17.429 1.00 18.01 O ATOM 566 CB LYS A 58 -3.178 8.618 20.524 1.00 23.18 C ATOM 567 CG LYS A 58 -3.423 10.077 20.916 1.00 28.66 C ATOM 568 CD LYS A 58 -4.236 10.264 22.193 1.00 34.78 C ATOM 569 CE LYS A 58 -3.970 9.123 23.197 1.00 38.61 C ATOM 570 NZ LYS A 58 -3.811 9.580 24.620 1.00 44.68 N ATOM 571 HZ1 LYS A 58 -3.008 10.237 24.684 1.00 0.00 H ATOM 572 HZ2 LYS A 58 -4.680 10.062 24.927 1.00 0.00 H ATOM 573 HZ3 LYS A 58 -3.636 8.756 25.230 1.00 0.00 H ATOM 574 H LYS A 58 -3.757 6.021 18.962 1.00 0.00 H ATOM 575 N ASN A 59 -4.963 9.410 17.909 1.00 15.35 N ATOM 576 CA ASN A 59 -4.645 10.073 16.650 1.00 16.64 C ATOM 577 C ASN A 59 -3.889 11.364 16.968 1.00 18.05 C ATOM 578 O ASN A 59 -4.372 12.172 17.817 1.00 19.56 O ATOM 579 CB ASN A 59 -5.934 10.407 15.943 1.00 19.98 C ATOM 580 CG ASN A 59 -6.732 9.188 15.571 1.00 20.62 C ATOM 581 OD1 ASN A 59 -6.228 8.133 15.274 1.00 19.20 O ATOM 582 ND2 ASN A 59 -8.036 9.355 15.581 1.00 28.05 N ATOM 583 HD22 ASN A 59 -8.440 10.277 15.842 1.00 0.00 H ATOM 584 HD21 ASN A 59 -8.663 8.565 15.328 1.00 0.00 H ATOM 585 H ASN A 59 -5.737 9.754 18.512 1.00 0.00 H ATOM 586 N THR A 60 -2.791 11.637 16.269 1.00 15.63 N ATOM 587 CA THR A 60 -2.025 12.882 16.516 1.00 15.93 C ATOM 588 C THR A 60 -1.792 13.529 15.146 1.00 14.43 C ATOM 589 O THR A 60 -1.838 12.820 14.144 1.00 13.94 O ATOM 590 CB THR A 60 -0.660 12.596 17.190 1.00 17.33 C ATOM 591 OG1 THR A 60 0.213 11.883 16.297 1.00 20.98 O ATOM 592 CG2 THR A 60 -0.816 11.830 18.521 1.00 19.48 C ATOM 593 HG1 THR A 60 0.366 12.426 15.484 1.00 0.00 H ATOM 594 H THR A 60 -2.466 10.969 15.541 1.00 0.00 H ATOM 595 N GLU A 61 -1.525 14.846 15.144 1.00 13.08 N ATOM 596 CA GLU A 61 -1.172 15.527 13.909 1.00 13.58 C ATOM 597 C GLU A 61 -0.223 16.645 14.236 1.00 12.49 C ATOM 598 O GLU A 61 -0.519 17.411 15.164 1.00 12.80 O ATOM 599 CB GLU A 61 -2.430 16.031 13.218 1.00 15.88 C ATOM 600 CG GLU A 61 -2.106 16.769 11.960 1.00 20.63 C ATOM 601 CD GLU A 61 -3.370 17.259 11.231 1.00 29.56 C ATOM 602 OE1 GLU A 61 -3.411 18.468 10.881 1.00 30.23 O ATOM 603 OE2 GLU A 61 -4.331 16.452 11.005 1.00 35.01 O ATOM 604 H GLU A 61 -1.571 15.383 16.034 1.00 0.00 H ATOM 605 N ILE A 62 0.891 16.724 13.505 1.00 10.51 N ATOM 606 CA ILE A 62 1.778 17.860 13.649 1.00 10.41 C ATOM 607 C ILE A 62 1.936 18.494 12.277 1.00 9.65 C ATOM 608 O ILE A 62 2.086 17.774 11.265 1.00 11.50 O ATOM 609 CB ILE A 62 3.174 17.579 14.346 1.00 10.75 C ATOM 610 CG1 ILE A 62 3.914 16.485 13.610 1.00 11.13 C ATOM 611 CG2 ILE A 62 2.896 17.196 15.831 1.00 12.36 C ATOM 612 CD1 ILE A 62 5.374 16.252 14.009 1.00 11.66 C ATOM 613 H ILE A 62 1.123 15.968 12.830 1.00 0.00 H ATOM 614 N SER A 63 1.919 19.824 12.239 1.00 9.65 N ATOM 615 CA SER A 63 2.368 20.571 11.054 1.00 9.14 C ATOM 616 C SER A 63 3.530 21.505 11.392 1.00 9.91 C ATOM 617 O SER A 63 3.559 22.108 12.453 1.00 12.13 O ATOM 618 CB SER A 63 1.177 21.405 10.546 1.00 10.54 C ATOM 619 OG SER A 63 0.247 20.527 9.987 1.00 10.88 O ATOM 620 HG SER A 63 0.668 20.036 9.237 1.00 0.00 H ATOM 621 H SER A 63 1.579 20.350 13.070 1.00 0.00 H ATOM 622 N PHE A 64 4.451 21.643 10.466 1.00 9.93 N ATOM 623 CA PHE A 64 5.694 22.386 10.818 1.00 9.05 C ATOM 624 C PHE A 64 6.437 22.791 9.597 1.00 9.86 C ATOM 625 O PHE A 64 6.208 22.282 8.508 1.00 9.33 O ATOM 626 CB PHE A 64 6.616 21.506 11.725 1.00 9.93 C ATOM 627 CG PHE A 64 6.972 20.193 11.104 1.00 9.06 C ATOM 628 CD1 PHE A 64 6.128 19.074 11.231 1.00 9.31 C ATOM 629 CD2 PHE A 64 8.147 20.089 10.387 1.00 9.15 C ATOM 630 CE1 PHE A 64 6.398 17.878 10.592 1.00 9.21 C ATOM 631 CE2 PHE A 64 8.445 18.898 9.701 1.00 10.15 C ATOM 632 CZ PHE A 64 7.596 17.766 9.849 1.00 8.87 C ATOM 633 H PHE A 64 4.317 21.245 9.514 1.00 0.00 H ATOM 634 N ILE A 65 7.379 23.713 9.814 1.00 10.39 N ATOM 635 CA ILE A 65 8.272 24.175 8.762 1.00 10.78 C ATOM 636 C ILE A 65 9.671 23.703 9.218 1.00 10.27 C ATOM 637 O ILE A 65 10.019 23.758 10.403 1.00 9.75 O ATOM 638 CB ILE A 65 8.189 25.719 8.621 1.00 12.26 C ATOM 639 CG1 ILE A 65 6.766 26.078 8.119 1.00 12.96 C ATOM 640 CG2 ILE A 65 9.336 26.156 7.693 1.00 11.86 C ATOM 641 CD1 ILE A 65 6.566 27.602 8.069 1.00 16.09 C ATOM 642 H ILE A 65 7.478 24.115 10.768 1.00 0.00 H ATOM 643 N LEU A 66 10.450 23.134 8.295 1.00 9.84 N ATOM 644 CA LEU A 66 11.769 22.632 8.716 1.00 8.84 C ATOM 645 C LEU A 66 12.597 23.741 9.418 1.00 9.47 C ATOM 646 O LEU A 66 12.710 24.891 8.940 1.00 10.12 O ATOM 647 CB LEU A 66 12.584 22.109 7.522 1.00 10.81 C ATOM 648 CG LEU A 66 11.883 20.918 6.848 1.00 10.14 C ATOM 649 CD1 LEU A 66 12.529 20.803 5.490 1.00 13.20 C ATOM 650 CD2 LEU A 66 12.102 19.648 7.683 1.00 12.06 C ATOM 651 H LEU A 66 10.135 23.048 7.308 1.00 0.00 H ATOM 652 N GLY A 67 13.260 23.379 10.494 1.00 9.12 N ATOM 653 CA GLY A 67 14.151 24.274 11.237 1.00 8.97 C ATOM 654 C GLY A 67 13.480 25.242 12.179 1.00 10.92 C ATOM 655 O GLY A 67 14.185 25.919 12.949 1.00 11.46 O ATOM 656 H GLY A 67 13.146 22.404 10.837 1.00 0.00 H ATOM 657 N GLN A 68 12.130 25.239 12.252 1.00 9.99 N ATOM 658 CA GLN A 68 11.336 26.204 13.084 1.00 11.28 C ATOM 659 C GLN A 68 10.657 25.492 14.221 1.00 11.35 C ATOM 660 O GLN A 68 9.819 24.615 14.006 1.00 11.18 O ATOM 661 CB GLN A 68 10.277 26.966 12.267 1.00 12.50 C ATOM 662 CG GLN A 68 11.021 27.659 11.092 1.00 15.62 C ATOM 663 CD GLN A 68 10.158 28.634 10.315 1.00 15.54 C ATOM 664 OE1 GLN A 68 8.982 28.878 10.626 1.00 19.42 O ATOM 665 NE2 GLN A 68 10.772 29.228 9.321 1.00 20.18 N ATOM 666 HE22 GLN A 68 11.760 28.987 9.101 1.00 0.00 H ATOM 667 HE21 GLN A 68 10.272 29.940 8.752 1.00 0.00 H ATOM 668 H GLN A 68 11.611 24.527 11.700 1.00 0.00 H ATOM 669 N GLU A 69 11.059 25.842 15.451 1.00 11.24 N ATOM 670 CA GLU A 69 10.605 25.107 16.676 1.00 11.86 C ATOM 671 C GLU A 69 9.088 25.311 16.836 1.00 12.49 C ATOM 672 O GLU A 69 8.499 26.385 16.458 1.00 13.25 O ATOM 673 CB GLU A 69 11.360 25.692 17.920 1.00 15.05 C ATOM 674 CG GLU A 69 11.070 24.895 19.201 1.00 21.74 C ATOM 675 CD GLU A 69 11.907 25.420 20.348 1.00 26.92 C ATOM 676 OE1 GLU A 69 11.655 26.571 20.651 1.00 31.29 O ATOM 677 OE2 GLU A 69 12.836 24.717 20.848 1.00 32.29 O ATOM 678 H GLU A 69 11.706 26.649 15.559 1.00 0.00 H ATOM 679 N PHE A 70 8.431 24.286 17.368 1.00 10.14 N ATOM 680 CA PHE A 70 6.988 24.327 17.580 1.00 10.46 C ATOM 681 C PHE A 70 6.678 23.579 18.881 1.00 11.79 C ATOM 682 O PHE A 70 7.452 22.768 19.400 1.00 11.68 O ATOM 683 CB PHE A 70 6.132 23.757 16.407 1.00 9.77 C ATOM 684 CG PHE A 70 6.524 22.325 16.016 1.00 9.35 C ATOM 685 CD1 PHE A 70 7.651 22.029 15.210 1.00 8.66 C ATOM 686 CD2 PHE A 70 5.754 21.248 16.491 1.00 10.72 C ATOM 687 CE1 PHE A 70 7.974 20.684 14.877 1.00 9.32 C ATOM 688 CE2 PHE A 70 6.079 19.906 16.155 1.00 11.36 C ATOM 689 CZ PHE A 70 7.169 19.608 15.344 1.00 10.14 C ATOM 690 H PHE A 70 8.959 23.432 17.640 1.00 0.00 H ATOM 691 N ASP A 71 5.476 23.885 19.373 1.00 13.08 N ATOM 692 CA ASP A 71 4.899 23.073 20.459 1.00 15.00 C ATOM 693 C ASP A 71 4.216 21.849 20.017 1.00 13.19 C ATOM 694 O ASP A 71 3.484 21.845 19.035 1.00 16.28 O ATOM 695 CB ASP A 71 3.852 23.860 21.273 1.00 16.50 C ATOM 696 CG ASP A 71 4.358 25.110 21.844 1.00 18.46 C ATOM 697 OD1 ASP A 71 5.325 25.040 22.610 1.00 23.60 O ATOM 698 OD2 ASP A 71 3.752 26.234 21.483 1.00 19.12 O ATOM 699 H ASP A 71 4.947 24.695 18.991 1.00 0.00 H ATOM 700 N GLU A 72 4.421 20.738 20.770 1.00 12.48 N ATOM 701 CA GLU A 72 3.849 19.468 20.382 1.00 12.38 C ATOM 702 C GLU A 72 3.376 18.787 21.702 1.00 13.13 C ATOM 703 O GLU A 72 4.077 18.843 22.687 1.00 14.54 O ATOM 704 CB GLU A 72 4.922 18.529 19.750 1.00 11.97 C ATOM 705 CG GLU A 72 4.321 17.155 19.383 1.00 13.46 C ATOM 706 CD GLU A 72 5.347 16.253 18.726 1.00 13.41 C ATOM 707 OE1 GLU A 72 6.531 16.665 18.637 1.00 13.79 O ATOM 708 OE2 GLU A 72 4.970 15.139 18.300 1.00 16.03 O ATOM 709 H GLU A 72 4.995 20.801 21.635 1.00 0.00 H ATOM 710 N VAL A 73 2.175 18.248 21.672 1.00 14.68 N ATOM 711 CA VAL A 73 1.702 17.309 22.715 1.00 15.85 C ATOM 712 C VAL A 73 1.782 15.925 22.139 1.00 15.58 C ATOM 713 O VAL A 73 1.124 15.560 21.158 1.00 16.47 O ATOM 714 CB VAL A 73 0.272 17.637 23.203 1.00 18.45 C ATOM 715 CG1 VAL A 73 -0.211 16.574 24.241 1.00 19.05 C ATOM 716 CG2 VAL A 73 0.282 19.001 23.836 1.00 18.30 C ATOM 717 H VAL A 73 1.536 18.490 20.888 1.00 0.00 H ATOM 718 N THR A 74 2.622 15.099 22.757 1.00 13.85 N ATOM 719 CA THR A 74 2.836 13.783 22.251 1.00 14.57 C ATOM 720 C THR A 74 1.656 12.796 22.602 1.00 14.12 C ATOM 721 O THR A 74 0.818 13.127 23.442 1.00 16.43 O ATOM 722 CB THR A 74 4.192 13.204 22.785 1.00 13.45 C ATOM 723 OG1 THR A 74 4.109 13.060 24.243 1.00 15.16 O ATOM 724 CG2 THR A 74 5.341 14.153 22.485 1.00 14.20 C ATOM 725 HG1 THR A 74 4.963 12.695 24.586 1.00 0.00 H ATOM 726 H THR A 74 3.124 15.414 23.612 1.00 0.00 H ATOM 727 N ALA A 75 1.682 11.633 21.986 1.00 14.38 N ATOM 728 CA ALA A 75 0.649 10.564 22.095 1.00 16.99 C ATOM 729 C ALA A 75 0.550 10.129 23.598 1.00 17.65 C ATOM 730 O ALA A 75 -0.578 9.802 24.076 1.00 20.16 O ATOM 731 CB ALA A 75 0.990 9.355 21.224 1.00 18.99 C ATOM 732 H ALA A 75 2.496 11.443 21.368 1.00 0.00 H ATOM 733 N ASP A 76 1.695 10.164 24.301 1.00 17.37 N ATOM 734 CA ASP A 76 1.782 9.842 25.766 1.00 16.84 C ATOM 735 C ASP A 76 1.565 11.098 26.642 1.00 19.08 C ATOM 736 O ASP A 76 1.856 11.099 27.857 1.00 19.84 O ATOM 737 CB ASP A 76 3.129 9.147 26.160 1.00 16.47 C ATOM 738 CG ASP A 76 4.369 10.022 25.861 1.00 18.11 C ATOM 739 OD1 ASP A 76 4.505 10.481 24.668 1.00 17.46 O ATOM 740 OD2 ASP A 76 5.242 10.188 26.783 1.00 17.55 O ATOM 741 H ASP A 76 2.569 10.429 23.803 1.00 0.00 H ATOM 742 N ASP A 77 1.059 12.182 26.021 1.00 19.09 N ATOM 743 CA ASP A 77 0.756 13.451 26.740 1.00 23.14 C ATOM 744 C ASP A 77 1.899 14.247 27.345 1.00 24.23 C ATOM 745 O ASP A 77 1.663 15.000 28.266 1.00 27.34 O ATOM 746 CB ASP A 77 -0.374 13.248 27.810 1.00 24.50 C ATOM 747 CG ASP A 77 -1.675 12.847 27.192 1.00 26.51 C ATOM 748 OD1 ASP A 77 -1.985 13.317 26.072 1.00 31.39 O ATOM 749 OD2 ASP A 77 -2.400 12.031 27.810 1.00 34.07 O ATOM 750 H ASP A 77 0.873 12.130 24.999 1.00 0.00 H ATOM 751 N ARG A 78 3.133 14.127 26.820 1.00 19.70 N ATOM 752 CA ARG A 78 4.177 15.064 27.164 1.00 16.37 C ATOM 753 C ARG A 78 3.906 16.355 26.375 1.00 18.28 C ATOM 754 O ARG A 78 3.516 16.299 25.202 1.00 17.61 O ATOM 755 CB ARG A 78 5.572 14.561 26.784 1.00 15.14 C ATOM 756 CG ARG A 78 6.191 13.523 27.725 1.00 16.36 C ATOM 757 CD ARG A 78 7.504 12.973 27.160 1.00 13.97 C ATOM 758 NE ARG A 78 7.147 12.077 26.060 1.00 13.90 N ATOM 759 CZ ARG A 78 7.679 12.071 24.845 1.00 13.88 C ATOM 760 NH1 ARG A 78 8.719 12.839 24.559 1.00 11.74 N ATOM 761 NH2 ARG A 78 7.202 11.216 23.941 1.00 14.07 N ATOM 762 HE ARG A 78 6.403 11.376 26.249 1.00 0.00 H ATOM 763 HH12 ARG A 78 9.128 12.826 23.603 1.00 0.00 H ATOM 764 HH11 ARG A 78 9.127 13.455 25.291 1.00 0.00 H ATOM 765 HH22 ARG A 78 7.605 11.195 22.982 1.00 0.00 H ATOM 766 HH21 ARG A 78 6.427 10.570 24.194 1.00 0.00 H ATOM 767 H ARG A 78 3.337 13.350 26.159 1.00 0.00 H ATOM 768 N LYS A 79 4.151 17.488 27.029 1.00 16.95 N ATOM 769 CA LYS A 79 4.200 18.789 26.322 1.00 16.13 C ATOM 770 C LYS A 79 5.660 19.096 26.069 1.00 15.01 C ATOM 771 O LYS A 79 6.475 19.303 27.010 1.00 17.39 O ATOM 772 CB LYS A 79 3.582 19.907 27.184 1.00 18.26 C ATOM 773 CG LYS A 79 2.091 19.910 27.032 1.00 18.08 C ATOM 774 CD LYS A 79 1.441 18.866 27.889 1.00 21.08 C ATOM 775 CE LYS A 79 0.179 18.350 27.213 1.00 20.87 C ATOM 776 NZ LYS A 79 -0.619 17.582 28.202 1.00 22.45 N ATOM 777 HZ1 LYS A 79 -0.056 16.781 28.553 1.00 0.00 H ATOM 778 HZ2 LYS A 79 -0.874 18.203 28.996 1.00 0.00 H ATOM 779 HZ3 LYS A 79 -1.484 17.226 27.747 1.00 0.00 H ATOM 780 H LYS A 79 4.311 17.459 28.056 1.00 0.00 H ATOM 781 N VAL A 80 6.046 19.086 24.759 1.00 13.80 N ATOM 782 CA VAL A 80 7.445 19.226 24.363 1.00 12.86 C ATOM 783 C VAL A 80 7.665 20.365 23.376 1.00 11.73 C ATOM 784 O VAL A 80 6.703 20.839 22.772 1.00 13.97 O ATOM 785 CB VAL A 80 7.994 17.905 23.691 1.00 11.89 C ATOM 786 CG1 VAL A 80 7.661 16.692 24.640 1.00 12.59 C ATOM 787 CG2 VAL A 80 7.322 17.653 22.306 1.00 12.64 C ATOM 788 H VAL A 80 5.322 18.975 24.021 1.00 0.00 H ATOM 789 N LYS A 81 8.880 20.790 23.309 1.00 12.84 N ATOM 790 CA LYS A 81 9.275 21.778 22.282 1.00 13.73 C ATOM 791 C LYS A 81 9.978 20.929 21.196 1.00 11.45 C ATOM 792 O LYS A 81 10.958 20.239 21.465 1.00 12.20 O ATOM 793 CB LYS A 81 10.274 22.789 22.850 1.00 17.07 C ATOM 794 CG LYS A 81 9.691 23.782 23.831 1.00 23.57 C ATOM 795 CD LYS A 81 8.650 24.707 23.217 1.00 28.42 C ATOM 796 CE LYS A 81 8.452 25.894 24.175 1.00 29.48 C ATOM 797 NZ LYS A 81 7.086 26.431 23.914 1.00 30.64 N ATOM 798 HZ1 LYS A 81 7.020 26.739 22.923 1.00 0.00 H ATOM 799 HZ2 LYS A 81 6.382 25.687 24.095 1.00 0.00 H ATOM 800 HZ3 LYS A 81 6.907 27.240 24.543 1.00 0.00 H ATOM 801 H LYS A 81 9.588 20.435 23.983 1.00 0.00 H ATOM 802 N SER A 82 9.465 20.994 19.960 1.00 10.46 N ATOM 803 CA SER A 82 10.010 20.126 18.880 1.00 9.92 C ATOM 804 C SER A 82 10.634 20.918 17.779 1.00 9.60 C ATOM 805 O SER A 82 10.155 22.007 17.442 1.00 9.77 O ATOM 806 CB SER A 82 8.948 19.276 18.222 1.00 11.19 C ATOM 807 OG SER A 82 8.539 18.399 19.258 1.00 11.62 O ATOM 808 HG SER A 82 7.834 17.794 18.917 1.00 0.00 H ATOM 809 H SER A 82 8.686 21.651 19.755 1.00 0.00 H ATOM 810 N THR A 83 11.726 20.392 17.212 1.00 7.59 N ATOM 811 CA THR A 83 12.213 20.997 15.949 1.00 7.93 C ATOM 812 C THR A 83 12.500 19.839 15.023 1.00 8.44 C ATOM 813 O THR A 83 13.152 18.864 15.431 1.00 9.84 O ATOM 814 CB THR A 83 13.511 21.799 16.150 1.00 10.68 C ATOM 815 OG1 THR A 83 13.333 22.769 17.220 1.00 12.94 O ATOM 816 CG2 THR A 83 13.890 22.541 14.915 1.00 10.86 C ATOM 817 HG1 THR A 83 14.172 23.280 17.343 1.00 0.00 H ATOM 818 H THR A 83 12.218 19.584 17.644 1.00 0.00 H ATOM 819 N ILE A 84 12.087 19.991 13.756 1.00 7.41 N ATOM 820 CA ILE A 84 12.345 18.975 12.731 1.00 7.71 C ATOM 821 C ILE A 84 13.152 19.576 11.616 1.00 9.01 C ATOM 822 O ILE A 84 12.851 20.663 11.139 1.00 8.77 O ATOM 823 CB ILE A 84 11.044 18.386 12.191 1.00 7.48 C ATOM 824 CG1 ILE A 84 10.385 17.696 13.410 1.00 7.81 C ATOM 825 CG2 ILE A 84 11.362 17.389 11.090 1.00 8.47 C ATOM 826 CD1 ILE A 84 8.974 17.149 13.069 1.00 7.97 C ATOM 827 H ILE A 84 11.569 20.854 13.493 1.00 0.00 H ATOM 828 N THR A 85 14.246 18.891 11.289 1.00 9.12 N ATOM 829 CA THR A 85 15.169 19.328 10.208 1.00 11.17 C ATOM 830 C THR A 85 15.389 18.164 9.252 1.00 11.77 C ATOM 831 O THR A 85 15.037 17.003 9.496 1.00 12.00 O ATOM 832 CB THR A 85 16.552 19.815 10.731 1.00 12.26 C ATOM 833 OG1 THR A 85 17.090 18.774 11.584 1.00 15.05 O ATOM 834 CG2 THR A 85 16.341 21.103 11.557 1.00 12.47 C ATOM 835 HG1 THR A 85 16.471 18.616 12.340 1.00 0.00 H ATOM 836 H THR A 85 14.463 18.017 11.809 1.00 0.00 H ATOM 837 N LEU A 86 15.952 18.498 8.080 1.00 14.16 N ATOM 838 CA LEU A 86 16.375 17.424 7.161 1.00 15.97 C ATOM 839 C LEU A 86 17.872 17.469 7.135 1.00 19.93 C ATOM 840 O LEU A 86 18.442 18.538 6.851 1.00 24.92 O ATOM 841 CB LEU A 86 15.871 17.755 5.769 1.00 21.76 C ATOM 842 CG LEU A 86 14.765 17.023 5.102 1.00 22.89 C ATOM 843 CD1 LEU A 86 14.593 17.584 3.681 1.00 25.03 C ATOM 844 CD2 LEU A 86 14.938 15.512 5.044 1.00 19.23 C ATOM 845 H LEU A 86 16.088 19.497 7.824 1.00 0.00 H ATOM 846 N ASP A 87 18.497 16.376 7.496 1.00 18.96 N ATOM 847 CA ASP A 87 19.920 16.176 7.489 1.00 19.84 C ATOM 848 C ASP A 87 20.262 15.093 6.431 1.00 19.58 C ATOM 849 O ASP A 87 20.047 13.899 6.659 1.00 16.73 O ATOM 850 CB ASP A 87 20.386 15.667 8.841 1.00 26.38 C ATOM 851 CG ASP A 87 21.926 15.650 8.966 1.00 37.12 C ATOM 852 OD1 ASP A 87 22.621 16.316 8.121 1.00 42.62 O ATOM 853 OD2 ASP A 87 22.428 14.965 9.896 1.00 40.61 O ATOM 854 H ASP A 87 17.910 15.580 7.817 1.00 0.00 H ATOM 855 N GLY A 88 20.785 15.513 5.270 1.00 16.88 N ATOM 856 CA GLY A 88 20.978 14.515 4.199 1.00 18.04 C ATOM 857 C GLY A 88 19.537 14.135 3.816 1.00 18.91 C ATOM 858 O GLY A 88 18.680 14.972 3.639 1.00 25.23 O ATOM 859 H GLY A 88 21.046 16.510 5.128 1.00 0.00 H ATOM 860 N GLY A 89 19.262 12.884 3.701 1.00 23.50 N ATOM 861 CA GLY A 89 17.866 12.611 3.362 1.00 17.94 C ATOM 862 C GLY A 89 17.043 12.126 4.526 1.00 17.85 C ATOM 863 O GLY A 89 15.983 11.476 4.303 1.00 18.49 O ATOM 864 H GLY A 89 19.969 12.134 3.837 1.00 0.00 H ATOM 865 N VAL A 90 17.502 12.480 5.736 1.00 13.69 N ATOM 866 CA VAL A 90 16.878 11.986 7.001 1.00 12.64 C ATOM 867 C VAL A 90 16.097 13.096 7.678 1.00 12.24 C ATOM 868 O VAL A 90 16.629 14.161 7.913 1.00 10.01 O ATOM 869 CB VAL A 90 17.928 11.459 7.970 1.00 13.65 C ATOM 870 CG1 VAL A 90 17.297 10.928 9.268 1.00 13.63 C ATOM 871 CG2 VAL A 90 18.837 10.396 7.320 1.00 15.55 C ATOM 872 H VAL A 90 18.320 13.120 5.796 1.00 0.00 H ATOM 873 N LEU A 91 14.821 12.855 7.971 1.00 11.03 N ATOM 874 CA LEU A 91 14.102 13.847 8.767 1.00 11.91 C ATOM 875 C LEU A 91 14.455 13.610 10.230 1.00 11.38 C ATOM 876 O LEU A 91 14.260 12.500 10.743 1.00 12.47 O ATOM 877 CB LEU A 91 12.557 13.728 8.635 1.00 14.71 C ATOM 878 CG LEU A 91 11.817 14.308 7.463 1.00 18.51 C ATOM 879 CD1 LEU A 91 10.398 13.710 7.413 1.00 18.02 C ATOM 880 CD2 LEU A 91 11.888 15.836 7.562 1.00 14.86 C ATOM 881 H LEU A 91 14.350 11.987 7.643 1.00 0.00 H ATOM 882 N VAL A 92 14.975 14.621 10.905 1.00 11.23 N ATOM 883 CA VAL A 92 15.403 14.424 12.288 1.00 10.90 C ATOM 884 C VAL A 92 14.473 15.287 13.162 1.00 10.85 C ATOM 885 O VAL A 92 14.424 16.503 13.003 1.00 11.88 O ATOM 886 CB VAL A 92 16.834 14.975 12.406 1.00 12.16 C ATOM 887 CG1 VAL A 92 17.366 14.950 13.826 1.00 12.44 C ATOM 888 CG2 VAL A 92 17.796 14.155 11.491 1.00 11.71 C ATOM 889 H VAL A 92 15.079 15.552 10.454 1.00 0.00 H ATOM 890 N HIS A 93 13.790 14.686 14.139 1.00 9.56 N ATOM 891 CA HIS A 93 12.796 15.354 14.960 1.00 9.40 C ATOM 892 C HIS A 93 13.342 15.298 16.396 1.00 10.41 C ATOM 893 O HIS A 93 13.532 14.178 16.946 1.00 9.92 O ATOM 894 CB HIS A 93 11.510 14.543 14.800 1.00 8.85 C ATOM 895 CG HIS A 93 10.324 15.017 15.614 1.00 10.00 C ATOM 896 ND1 HIS A 93 9.117 14.390 15.502 1.00 10.71 N ATOM 897 CD2 HIS A 93 10.172 16.027 16.558 1.00 10.02 C ATOM 898 CE1 HIS A 93 8.242 14.993 16.327 1.00 10.65 C ATOM 899 NE2 HIS A 93 8.859 15.977 16.965 1.00 11.76 N ATOM 900 H HIS A 93 13.981 13.680 14.323 1.00 0.00 H ATOM 901 N VAL A 94 13.690 16.466 16.994 1.00 8.96 N ATOM 902 CA VAL A 94 14.159 16.468 18.367 1.00 10.77 C ATOM 903 C VAL A 94 13.028 17.051 19.254 1.00 10.11 C ATOM 904 O VAL A 94 12.450 18.073 18.882 1.00 10.67 O ATOM 905 CB VAL A 94 15.384 17.338 18.457 1.00 11.66 C ATOM 906 CG1 VAL A 94 15.842 17.441 19.920 1.00 13.82 C ATOM 907 CG2 VAL A 94 16.502 16.758 17.565 1.00 12.43 C ATOM 908 H VAL A 94 13.620 17.360 16.467 1.00 0.00 H ATOM 909 N GLN A 95 12.687 16.341 20.350 1.00 10.16 N ATOM 910 CA GLN A 95 11.654 16.749 21.322 1.00 11.06 C ATOM 911 C GLN A 95 12.361 17.032 22.645 1.00 12.37 C ATOM 912 O GLN A 95 13.141 16.164 23.113 1.00 12.66 O ATOM 913 CB GLN A 95 10.647 15.646 21.574 1.00 10.63 C ATOM 914 CG GLN A 95 9.799 15.318 20.351 1.00 11.09 C ATOM 915 CD GLN A 95 8.828 14.177 20.579 1.00 12.62 C ATOM 916 OE1 GLN A 95 7.765 14.039 19.879 1.00 15.08 O ATOM 917 NE2 GLN A 95 9.216 13.286 21.522 1.00 10.87 N ATOM 918 HE22 GLN A 95 10.090 13.448 22.062 1.00 0.00 H ATOM 919 HE21 GLN A 95 8.640 12.440 21.706 1.00 0.00 H ATOM 920 H GLN A 95 13.186 15.445 20.521 1.00 0.00 H ATOM 921 N LYS A 96 12.078 18.188 23.265 1.00 12.25 N ATOM 922 CA LYS A 96 12.706 18.613 24.528 1.00 13.77 C ATOM 923 C LYS A 96 11.636 18.858 25.536 1.00 15.12 C ATOM 924 O LYS A 96 10.610 19.471 25.247 1.00 15.73 O ATOM 925 CB LYS A 96 13.477 19.967 24.339 1.00 16.76 C ATOM 926 CG LYS A 96 14.480 20.012 23.227 1.00 24.96 C ATOM 927 CD LYS A 96 15.861 19.521 23.671 1.00 33.51 C ATOM 928 CE LYS A 96 16.925 19.491 22.553 1.00 33.72 C ATOM 929 NZ LYS A 96 18.171 18.697 22.869 1.00 36.86 N ATOM 930 HZ1 LYS A 96 18.634 19.101 23.708 1.00 0.00 H ATOM 931 HZ2 LYS A 96 17.912 17.708 23.057 1.00 0.00 H ATOM 932 HZ3 LYS A 96 18.821 18.738 22.059 1.00 0.00 H ATOM 933 H LYS A 96 11.376 18.819 22.829 1.00 0.00 H ATOM 934 N TRP A 97 11.848 18.366 26.758 1.00 14.05 N ATOM 935 CA TRP A 97 10.887 18.645 27.837 1.00 15.42 C ATOM 936 C TRP A 97 11.615 18.334 29.133 1.00 19.36 C ATOM 937 O TRP A 97 12.465 17.422 29.213 1.00 18.07 O ATOM 938 CB TRP A 97 9.609 17.822 27.691 1.00 14.72 C ATOM 939 CG TRP A 97 9.759 16.391 28.081 1.00 16.01 C ATOM 940 CD1 TRP A 97 9.290 15.790 29.240 1.00 17.46 C ATOM 941 CD2 TRP A 97 10.513 15.351 27.367 1.00 15.00 C ATOM 942 NE1 TRP A 97 9.680 14.484 29.297 1.00 16.68 N ATOM 943 CE2 TRP A 97 10.402 14.150 28.179 1.00 15.92 C ATOM 944 CE3 TRP A 97 11.195 15.287 26.122 1.00 15.34 C ATOM 945 CZ2 TRP A 97 11.005 12.961 27.805 1.00 16.74 C ATOM 946 CZ3 TRP A 97 11.802 14.069 25.764 1.00 13.87 C ATOM 947 CH2 TRP A 97 11.684 12.938 26.576 1.00 15.34 C ATOM 948 HE1 TRP A 97 9.461 13.833 30.078 1.00 0.00 H ATOM 949 H TRP A 97 12.691 17.787 26.948 1.00 0.00 H ATOM 950 N ASP A 98 11.351 19.178 30.129 1.00 23.48 N ATOM 951 CA ASP A 98 11.809 18.902 31.504 1.00 23.55 C ATOM 952 C ASP A 98 13.238 18.530 31.576 1.00 23.58 C ATOM 953 O ASP A 98 13.578 17.579 32.264 1.00 27.76 O ATOM 954 CB ASP A 98 10.976 17.769 32.113 1.00 25.12 C ATOM 955 CG ASP A 98 9.530 18.190 32.458 1.00 24.90 C ATOM 956 OD1 ASP A 98 9.142 19.364 32.317 1.00 27.41 O ATOM 957 OD2 ASP A 98 8.749 17.333 32.844 1.00 26.78 O ATOM 958 H ASP A 98 10.813 20.046 29.934 1.00 0.00 H ATOM 959 N GLY A 99 14.116 19.266 30.884 1.00 20.54 N ATOM 960 CA GLY A 99 15.515 18.957 30.883 1.00 23.28 C ATOM 961 C GLY A 99 15.940 17.736 30.112 1.00 25.67 C ATOM 962 O GLY A 99 17.134 17.444 30.104 1.00 30.17 O ATOM 963 H GLY A 99 13.775 20.081 30.335 1.00 0.00 H ATOM 964 N LYS A 100 14.991 17.048 29.446 1.00 23.54 N ATOM 965 CA LYS A 100 15.290 15.771 28.725 1.00 20.85 C ATOM 966 C LYS A 100 15.151 16.028 27.221 1.00 20.06 C ATOM 967 O LYS A 100 14.468 16.999 26.832 1.00 17.43 O ATOM 968 CB LYS A 100 14.292 14.737 29.166 1.00 21.64 C ATOM 969 CG LYS A 100 14.607 14.415 30.610 1.00 27.21 C ATOM 970 CD LYS A 100 13.976 13.179 31.111 1.00 33.43 C ATOM 971 CE LYS A 100 12.515 13.416 31.348 1.00 40.97 C ATOM 972 NZ LYS A 100 12.171 12.520 32.481 1.00 41.16 N ATOM 973 HZ1 LYS A 100 12.366 11.534 32.213 1.00 0.00 H ATOM 974 HZ2 LYS A 100 12.745 12.775 33.310 1.00 0.00 H ATOM 975 HZ3 LYS A 100 11.162 12.625 32.711 1.00 0.00 H ATOM 976 H LYS A 100 14.019 17.417 29.433 1.00 0.00 H ATOM 977 N SER A 101 15.753 15.150 26.411 1.00 15.96 N ATOM 978 CA SER A 101 15.573 15.261 24.943 1.00 15.86 C ATOM 979 C SER A 101 15.474 13.825 24.363 1.00 14.43 C ATOM 980 O SER A 101 16.093 12.885 24.880 1.00 14.67 O ATOM 981 CB SER A 101 16.884 15.884 24.467 1.00 20.81 C ATOM 982 OG SER A 101 17.016 16.076 23.128 1.00 30.56 O ATOM 983 HG SER A 101 17.899 16.482 22.940 1.00 0.00 H ATOM 984 H SER A 101 16.345 14.393 26.809 1.00 0.00 H ATOM 985 N THR A 102 14.691 13.684 23.293 1.00 12.35 N ATOM 986 CA THR A 102 14.661 12.405 22.559 1.00 10.89 C ATOM 987 C THR A 102 14.688 12.789 21.067 1.00 11.01 C ATOM 988 O THR A 102 14.201 13.905 20.688 1.00 10.98 O ATOM 989 CB THR A 102 13.441 11.553 22.907 1.00 10.65 C ATOM 990 OG1 THR A 102 13.544 10.229 22.253 1.00 10.57 O ATOM 991 CG2 THR A 102 12.121 12.223 22.499 1.00 9.32 C ATOM 992 HG1 THR A 102 12.750 9.685 22.484 1.00 0.00 H ATOM 993 H THR A 102 14.100 14.478 22.975 1.00 0.00 H ATOM 994 N THR A 103 15.238 11.893 20.253 1.00 11.43 N ATOM 995 CA THR A 103 15.350 12.156 18.789 1.00 11.93 C ATOM 996 C THR A 103 14.693 11.026 18.002 1.00 11.48 C ATOM 997 O THR A 103 14.890 9.880 18.324 1.00 13.31 O ATOM 998 CB THR A 103 16.841 12.275 18.357 1.00 12.99 C ATOM 999 OG1 THR A 103 17.399 13.349 19.108 1.00 15.37 O ATOM 1000 CG2 THR A 103 17.012 12.617 16.843 1.00 13.48 C ATOM 1001 HG1 THR A 103 18.352 13.461 18.864 1.00 0.00 H ATOM 1002 H THR A 103 15.595 10.997 20.642 1.00 0.00 H ATOM 1003 N ILE A 104 13.846 11.406 17.046 1.00 9.23 N ATOM 1004 CA ILE A 104 13.177 10.431 16.193 1.00 8.94 C ATOM 1005 C ILE A 104 13.660 10.716 14.797 1.00 8.87 C ATOM 1006 O ILE A 104 13.492 11.864 14.292 1.00 9.43 O ATOM 1007 CB ILE A 104 11.643 10.634 16.284 1.00 9.04 C ATOM 1008 CG1 ILE A 104 11.160 10.441 17.748 1.00 11.26 C ATOM 1009 CG2 ILE A 104 10.956 9.675 15.328 1.00 10.81 C ATOM 1010 CD1 ILE A 104 9.738 10.967 17.954 1.00 17.20 C ATOM 1011 H ILE A 104 13.658 12.419 16.905 1.00 0.00 H ATOM 1012 N LYS A 105 14.210 9.701 14.118 1.00 9.20 N ATOM 1013 CA LYS A 105 14.732 9.991 12.749 1.00 9.29 C ATOM 1014 C LYS A 105 13.931 9.142 11.807 1.00 8.92 C ATOM 1015 O LYS A 105 13.542 8.041 12.144 1.00 10.12 O ATOM 1016 CB LYS A 105 16.187 9.484 12.735 1.00 10.41 C ATOM 1017 CG LYS A 105 17.102 10.342 13.573 1.00 14.82 C ATOM 1018 CD LYS A 105 18.579 9.917 13.389 1.00 20.34 C ATOM 1019 CE LYS A 105 19.470 10.892 14.174 1.00 23.95 C ATOM 1020 NZ LYS A 105 20.950 10.740 13.907 1.00 28.14 N ATOM 1021 HZ1 LYS A 105 21.251 9.779 14.166 1.00 0.00 H ATOM 1022 HZ2 LYS A 105 21.137 10.903 12.897 1.00 0.00 H ATOM 1023 HZ3 LYS A 105 21.477 11.434 14.475 1.00 0.00 H ATOM 1024 H LYS A 105 14.271 8.747 14.528 1.00 0.00 H ATOM 1025 N ARG A 106 13.606 9.685 10.647 1.00 8.94 N ATOM 1026 CA ARG A 106 12.763 8.958 9.699 1.00 10.36 C ATOM 1027 C ARG A 106 13.535 8.961 8.373 1.00 11.58 C ATOM 1028 O ARG A 106 14.015 9.991 7.909 1.00 11.64 O ATOM 1029 CB ARG A 106 11.403 9.666 9.518 1.00 10.83 C ATOM 1030 CG ARG A 106 10.556 9.579 10.761 1.00 12.54 C ATOM 1031 CD ARG A 106 9.304 10.420 10.567 1.00 14.41 C ATOM 1032 NE ARG A 106 8.378 10.278 11.749 1.00 18.85 N ATOM 1033 CZ ARG A 106 8.324 11.069 12.798 1.00 15.54 C ATOM 1034 NH1 ARG A 106 9.091 12.080 12.974 1.00 15.55 N ATOM 1035 NH2 ARG A 106 7.409 10.821 13.789 1.00 20.34 N ATOM 1036 HE ARG A 106 7.717 9.475 11.733 1.00 0.00 H ATOM 1037 HH12 ARG A 106 8.993 12.664 13.829 1.00 0.00 H ATOM 1038 HH11 ARG A 106 9.811 12.317 12.262 1.00 0.00 H ATOM 1039 HH22 ARG A 106 7.362 11.443 14.621 1.00 0.00 H ATOM 1040 HH21 ARG A 106 6.762 10.011 13.709 1.00 0.00 H ATOM 1041 H ARG A 106 13.952 10.636 10.407 1.00 0.00 H ATOM 1042 N LYS A 107 13.653 7.793 7.754 1.00 12.12 N ATOM 1043 CA LYS A 107 14.451 7.772 6.530 1.00 13.19 C ATOM 1044 C LYS A 107 13.833 6.712 5.649 1.00 15.81 C ATOM 1045 O LYS A 107 13.231 5.740 6.154 1.00 16.47 O ATOM 1046 CB LYS A 107 15.882 7.402 6.814 1.00 15.08 C ATOM 1047 CG LYS A 107 16.104 6.049 7.467 1.00 14.81 C ATOM 1048 CD LYS A 107 17.568 5.882 7.882 1.00 18.50 C ATOM 1049 CE LYS A 107 18.484 5.577 6.707 1.00 17.41 C ATOM 1050 NZ LYS A 107 18.750 6.739 5.823 1.00 19.40 N ATOM 1051 HZ1 LYS A 107 17.852 7.085 5.428 1.00 0.00 H ATOM 1052 HZ2 LYS A 107 19.203 7.496 6.374 1.00 0.00 H ATOM 1053 HZ3 LYS A 107 19.381 6.447 5.049 1.00 0.00 H ATOM 1054 H LYS A 107 13.199 6.933 8.123 1.00 0.00 H ATOM 1055 N ARG A 108 13.988 6.887 4.335 1.00 14.19 N ATOM 1056 CA ARG A 108 13.580 5.799 3.387 1.00 14.00 C ATOM 1057 C ARG A 108 14.672 4.808 3.189 1.00 15.29 C ATOM 1058 O ARG A 108 15.833 5.149 2.995 1.00 16.53 O ATOM 1059 CB ARG A 108 13.246 6.405 2.002 1.00 13.56 C ATOM 1060 CG ARG A 108 11.961 7.209 2.056 1.00 15.51 C ATOM 1061 CD ARG A 108 10.767 6.226 2.142 1.00 15.67 C ATOM 1062 NE ARG A 108 10.809 5.111 1.213 1.00 17.09 N ATOM 1063 CZ ARG A 108 10.396 5.162 -0.049 1.00 18.27 C ATOM 1064 NH1 ARG A 108 9.909 6.286 -0.526 1.00 15.87 N ATOM 1065 NH2 ARG A 108 10.474 4.107 -0.843 1.00 23.45 N ATOM 1066 HE ARG A 108 11.190 4.208 1.560 1.00 0.00 H ATOM 1067 HH12 ARG A 108 9.584 6.334 -1.513 1.00 0.00 H ATOM 1068 HH11 ARG A 108 9.849 7.127 0.083 1.00 0.00 H ATOM 1069 HH22 ARG A 108 10.144 4.171 -1.827 1.00 0.00 H ATOM 1070 HH21 ARG A 108 10.865 3.213 -0.483 1.00 0.00 H ATOM 1071 H ARG A 108 14.390 7.774 3.970 1.00 0.00 H ATOM 1072 N GLU A 109 14.300 3.535 3.251 1.00 14.94 N ATOM 1073 CA GLU A 109 15.187 2.424 2.971 1.00 15.05 C ATOM 1074 C GLU A 109 14.448 1.358 2.131 1.00 13.59 C ATOM 1075 O GLU A 109 13.415 0.781 2.562 1.00 12.75 O ATOM 1076 CB GLU A 109 15.708 1.760 4.263 1.00 19.77 C ATOM 1077 CG GLU A 109 16.729 0.650 3.953 1.00 24.47 C ATOM 1078 CD GLU A 109 18.099 1.152 3.483 1.00 31.12 C ATOM 1079 OE1 GLU A 109 18.521 2.261 3.899 1.00 34.55 O ATOM 1080 OE2 GLU A 109 18.762 0.443 2.673 1.00 36.86 O ATOM 1081 H GLU A 109 13.317 3.323 3.515 1.00 0.00 H ATOM 1082 N ASP A 110 14.914 1.111 0.890 1.00 14.49 N ATOM 1083 CA ASP A 110 14.111 0.333 -0.050 1.00 14.65 C ATOM 1084 C ASP A 110 12.666 0.875 -0.102 1.00 13.19 C ATOM 1085 O ASP A 110 12.469 2.104 -0.255 1.00 12.42 O ATOM 1086 CB ASP A 110 14.230 -1.186 0.274 1.00 17.42 C ATOM 1087 CG ASP A 110 15.677 -1.687 0.216 1.00 25.09 C ATOM 1088 OD1 ASP A 110 16.453 -1.205 -0.650 1.00 23.35 O ATOM 1089 OD2 ASP A 110 16.078 -2.528 1.033 1.00 25.26 O ATOM 1090 H ASP A 110 15.845 1.474 0.602 1.00 0.00 H ATOM 1091 N ASP A 111 11.648 0.036 -0.001 1.00 14.49 N ATOM 1092 CA ASP A 111 10.286 0.513 -0.053 1.00 14.26 C ATOM 1093 C ASP A 111 9.697 0.834 1.324 1.00 15.02 C ATOM 1094 O ASP A 111 8.479 0.962 1.491 1.00 16.34 O ATOM 1095 CB ASP A 111 9.374 -0.493 -0.766 1.00 15.15 C ATOM 1096 CG ASP A 111 9.650 -0.517 -2.295 1.00 18.02 C ATOM 1097 OD1 ASP A 111 9.734 0.589 -2.871 1.00 16.26 O ATOM 1098 OD2 ASP A 111 9.834 -1.598 -2.861 1.00 19.95 O ATOM 1099 H ASP A 111 11.831 -0.981 0.117 1.00 0.00 H ATOM 1100 N LYS A 112 10.578 0.888 2.295 1.00 13.14 N ATOM 1101 CA LYS A 112 10.144 1.062 3.692 1.00 12.71 C ATOM 1102 C LYS A 112 10.456 2.461 4.144 1.00 12.84 C ATOM 1103 O LYS A 112 11.342 3.122 3.615 1.00 12.48 O ATOM 1104 CB LYS A 112 10.899 0.061 4.642 1.00 13.44 C ATOM 1105 CG LYS A 112 10.578 -1.414 4.320 1.00 13.08 C ATOM 1106 CD LYS A 112 11.798 -2.260 4.572 1.00 16.13 C ATOM 1107 CE LYS A 112 11.866 -3.455 3.628 1.00 17.50 C ATOM 1108 NZ LYS A 112 12.384 -4.641 4.372 1.00 21.60 N ATOM 1109 HZ1 LYS A 112 13.334 -4.431 4.738 1.00 0.00 H ATOM 1110 HZ2 LYS A 112 11.746 -4.858 5.164 1.00 0.00 H ATOM 1111 HZ3 LYS A 112 12.431 -5.458 3.730 1.00 0.00 H ATOM 1112 H LYS A 112 11.592 0.807 2.076 1.00 0.00 H ATOM 1113 N LEU A 113 9.698 2.925 5.146 1.00 11.17 N ATOM 1114 CA LEU A 113 10.070 4.172 5.840 1.00 11.98 C ATOM 1115 C LEU A 113 10.449 3.690 7.257 1.00 12.37 C ATOM 1116 O LEU A 113 9.625 3.035 7.987 1.00 12.63 O ATOM 1117 CB LEU A 113 8.867 5.145 5.794 1.00 12.61 C ATOM 1118 CG LEU A 113 9.157 6.548 6.348 1.00 14.52 C ATOM 1119 CD1 LEU A 113 8.015 7.481 5.946 1.00 15.53 C ATOM 1120 CD2 LEU A 113 9.252 6.407 7.842 1.00 18.11 C ATOM 1121 H LEU A 113 8.845 2.405 5.435 1.00 0.00 H ATOM 1122 N VAL A 114 11.724 3.879 7.605 1.00 12.04 N ATOM 1123 CA VAL A 114 12.280 3.388 8.872 1.00 11.72 C ATOM 1124 C VAL A 114 12.344 4.502 9.869 1.00 11.80 C ATOM 1125 O VAL A 114 12.824 5.607 9.556 1.00 12.79 O ATOM 1126 CB VAL A 114 13.667 2.811 8.658 1.00 13.70 C ATOM 1127 CG1 VAL A 114 14.331 2.325 9.972 1.00 17.05 C ATOM 1128 CG2 VAL A 114 13.564 1.650 7.643 1.00 16.46 C ATOM 1129 H VAL A 114 12.348 4.395 6.952 1.00 0.00 H ATOM 1130 N VAL A 115 11.819 4.243 11.050 1.00 10.61 N ATOM 1131 CA VAL A 115 11.743 5.330 12.050 1.00 10.03 C ATOM 1132 C VAL A 115 12.603 4.865 13.226 1.00 10.42 C ATOM 1133 O VAL A 115 12.385 3.768 13.743 1.00 11.76 O ATOM 1134 CB VAL A 115 10.270 5.495 12.534 1.00 10.46 C ATOM 1135 CG1 VAL A 115 10.259 6.598 13.584 1.00 10.12 C ATOM 1136 CG2 VAL A 115 9.318 5.872 11.368 1.00 11.95 C ATOM 1137 H VAL A 115 11.465 3.291 11.275 1.00 0.00 H ATOM 1138 N GLU A 116 13.622 5.637 13.641 1.00 10.51 N ATOM 1139 CA GLU A 116 14.549 5.231 14.747 1.00 10.98 C ATOM 1140 C GLU A 116 14.301 6.246 15.878 1.00 11.51 C ATOM 1141 O GLU A 116 14.333 7.428 15.644 1.00 11.18 O ATOM 1142 CB GLU A 116 16.019 5.339 14.314 1.00 13.66 C ATOM 1143 CG GLU A 116 16.421 4.185 13.380 1.00 16.77 C ATOM 1144 CD GLU A 116 17.889 4.175 13.029 1.00 21.11 C ATOM 1145 OE1 GLU A 116 18.694 4.842 13.723 1.00 27.69 O ATOM 1146 OE2 GLU A 116 18.214 3.466 12.062 1.00 23.89 O ATOM 1147 H GLU A 116 13.774 6.554 13.175 1.00 0.00 H ATOM 1148 N CYS A 117 13.916 5.745 17.039 1.00 11.09 N ATOM 1149 CA CYS A 117 13.528 6.587 18.166 1.00 11.24 C ATOM 1150 C CYS A 117 14.627 6.370 19.221 1.00 11.37 C ATOM 1151 O CYS A 117 14.886 5.181 19.611 1.00 12.68 O ATOM 1152 CB CYS A 117 12.272 6.064 18.789 1.00 10.93 C ATOM 1153 SG CYS A 117 10.845 6.094 17.681 1.00 15.31 S ATOM 1154 H CYS A 117 13.889 4.712 17.154 1.00 0.00 H ATOM 1155 N VAL A 118 15.327 7.448 19.627 1.00 11.21 N ATOM 1156 CA VAL A 118 16.490 7.270 20.491 1.00 12.40 C ATOM 1157 C VAL A 118 16.283 8.064 21.760 1.00 12.49 C ATOM 1158 O VAL A 118 15.977 9.246 21.697 1.00 12.32 O ATOM 1159 CB VAL A 118 17.750 7.802 19.751 1.00 14.66 C ATOM 1160 CG1 VAL A 118 18.951 7.727 20.683 1.00 18.11 C ATOM 1161 CG2 VAL A 118 18.046 6.951 18.517 1.00 17.48 C ATOM 1162 H VAL A 118 15.040 8.401 19.326 1.00 0.00 H ATOM 1163 N MET A 119 16.446 7.417 22.921 1.00 12.83 N ATOM 1164 CA MET A 119 16.398 8.216 24.207 1.00 12.88 C ATOM 1165 C MET A 119 17.624 7.719 24.989 1.00 15.59 C ATOM 1166 O MET A 119 17.660 6.525 25.308 1.00 13.63 O ATOM 1167 CB MET A 119 15.090 7.914 24.980 1.00 15.32 C ATOM 1168 CG MET A 119 14.932 8.462 26.434 1.00 21.33 C ATOM 1169 SD MET A 119 14.873 10.221 26.234 1.00 21.50 S ATOM 1170 CE MET A 119 14.777 10.880 27.902 1.00 22.97 C ATOM 1171 H MET A 119 16.602 6.389 22.939 1.00 0.00 H ATOM 1172 N LYS A 120 18.599 8.604 25.177 1.00 12.81 N ATOM 1173 CA LYS A 120 19.910 8.239 25.713 1.00 13.80 C ATOM 1174 C LYS A 120 20.494 7.036 24.976 1.00 11.43 C ATOM 1175 O LYS A 120 20.745 7.069 23.763 1.00 13.87 O ATOM 1176 CB LYS A 120 19.783 7.956 27.207 1.00 14.95 C ATOM 1177 CG LYS A 120 19.668 9.183 28.105 1.00 18.19 C ATOM 1178 CD LYS A 120 18.278 9.367 28.570 1.00 19.27 C ATOM 1179 CE LYS A 120 18.071 8.896 29.994 1.00 20.87 C ATOM 1180 NZ LYS A 120 16.618 8.659 30.258 1.00 22.94 N ATOM 1181 HZ1 LYS A 120 16.092 9.544 30.113 1.00 0.00 H ATOM 1182 HZ2 LYS A 120 16.262 7.932 29.605 1.00 0.00 H ATOM 1183 HZ3 LYS A 120 16.493 8.336 31.239 1.00 0.00 H ATOM 1184 H LYS A 120 18.421 9.599 24.932 1.00 0.00 H ATOM 1185 N GLY A 121 20.717 5.944 25.678 1.00 10.65 N ATOM 1186 CA GLY A 121 21.340 4.828 25.003 1.00 9.20 C ATOM 1187 C GLY A 121 20.420 3.790 24.414 1.00 8.84 C ATOM 1188 O GLY A 121 20.863 2.839 23.838 1.00 7.22 O ATOM 1189 H GLY A 121 20.454 5.887 26.683 1.00 0.00 H ATOM 1190 N VAL A 122 19.110 4.044 24.505 1.00 10.97 N ATOM 1191 CA VAL A 122 18.120 3.085 24.010 1.00 13.07 C ATOM 1192 C VAL A 122 17.561 3.483 22.663 1.00 15.80 C ATOM 1193 O VAL A 122 17.077 4.643 22.531 1.00 17.14 O ATOM 1194 CB VAL A 122 16.932 2.927 25.043 1.00 14.96 C ATOM 1195 CG1 VAL A 122 15.875 2.037 24.462 1.00 13.69 C ATOM 1196 CG2 VAL A 122 17.519 2.393 26.393 1.00 16.44 C ATOM 1197 H VAL A 122 18.790 4.936 24.934 1.00 0.00 H ATOM 1198 N THR A 123 17.585 2.545 21.690 1.00 14.01 N ATOM 1199 CA THR A 123 17.065 2.812 20.319 1.00 15.52 C ATOM 1200 C THR A 123 15.920 1.843 20.013 1.00 15.04 C ATOM 1201 O THR A 123 16.014 0.652 20.326 1.00 19.26 O ATOM 1202 CB THR A 123 18.121 2.659 19.254 1.00 17.69 C ATOM 1203 OG1 THR A 123 19.124 3.619 19.512 1.00 20.21 O ATOM 1204 CG2 THR A 123 17.540 2.984 17.860 1.00 18.24 C ATOM 1205 HG1 THR A 123 19.835 3.544 18.827 1.00 0.00 H ATOM 1206 H THR A 123 17.979 1.607 21.905 1.00 0.00 H ATOM 1207 N SER A 124 14.800 2.380 19.516 1.00 13.04 N ATOM 1208 CA SER A 124 13.745 1.523 19.032 1.00 11.90 C ATOM 1209 C SER A 124 13.618 1.765 17.543 1.00 13.63 C ATOM 1210 O SER A 124 13.694 2.914 17.098 1.00 13.38 O ATOM 1211 CB SER A 124 12.417 1.888 19.722 1.00 11.45 C ATOM 1212 OG SER A 124 11.340 1.187 19.118 1.00 13.06 O ATOM 1213 HG SER A 124 11.493 0.213 19.204 1.00 0.00 H ATOM 1214 H SER A 124 14.690 3.413 19.479 1.00 0.00 H ATOM 1215 N THR A 125 13.415 0.686 16.775 1.00 12.62 N ATOM 1216 CA THR A 125 13.285 0.808 15.311 1.00 12.60 C ATOM 1217 C THR A 125 11.886 0.393 14.919 1.00 11.89 C ATOM 1218 O THR A 125 11.410 -0.716 15.304 1.00 13.22 O ATOM 1219 CB THR A 125 14.298 -0.164 14.597 1.00 12.90 C ATOM 1220 OG1 THR A 125 15.610 0.245 14.975 1.00 15.42 O ATOM 1221 CG2 THR A 125 14.228 -0.032 13.091 1.00 15.26 C ATOM 1222 HG1 THR A 125 15.759 1.180 14.685 1.00 0.00 H ATOM 1223 H THR A 125 13.348 -0.252 17.218 1.00 0.00 H ATOM 1224 N ARG A 126 11.186 1.290 14.230 1.00 10.83 N ATOM 1225 CA ARG A 126 9.804 1.043 13.819 1.00 11.54 C ATOM 1226 C ARG A 126 9.713 1.113 12.303 1.00 12.24 C ATOM 1227 O ARG A 126 10.103 2.149 11.732 1.00 14.23 O ATOM 1228 CB ARG A 126 8.926 2.049 14.466 1.00 14.75 C ATOM 1229 CG ARG A 126 8.709 1.447 15.858 1.00 20.01 C ATOM 1230 CD ARG A 126 8.043 2.232 16.854 1.00 21.58 C ATOM 1231 NE ARG A 126 6.625 2.522 16.690 1.00 17.14 N ATOM 1232 CZ ARG A 126 5.595 1.877 17.194 1.00 17.41 C ATOM 1233 NH1 ARG A 126 5.699 0.657 17.731 1.00 19.50 N ATOM 1234 NH2 ARG A 126 4.415 2.502 17.091 1.00 16.21 N ATOM 1235 HE ARG A 126 6.397 3.346 16.098 1.00 0.00 H ATOM 1236 HH12 ARG A 126 4.857 0.185 18.118 1.00 0.00 H ATOM 1237 HH11 ARG A 126 6.622 0.180 17.762 1.00 0.00 H ATOM 1238 HH22 ARG A 126 3.555 2.054 17.467 1.00 0.00 H ATOM 1239 HH21 ARG A 126 4.359 3.435 16.635 1.00 0.00 H ATOM 1240 H ARG A 126 11.634 2.193 13.976 1.00 0.00 H ATOM 1241 N VAL A 127 9.288 0.030 11.677 1.00 10.10 N ATOM 1242 CA VAL A 127 9.360 -0.053 10.216 1.00 11.19 C ATOM 1243 C VAL A 127 8.002 0.083 9.638 1.00 10.11 C ATOM 1244 O VAL A 127 7.109 -0.615 10.093 1.00 11.70 O ATOM 1245 CB VAL A 127 10.015 -1.352 9.730 1.00 11.90 C ATOM 1246 CG1 VAL A 127 10.126 -1.362 8.204 1.00 14.31 C ATOM 1247 CG2 VAL A 127 11.443 -1.301 10.270 1.00 13.86 C ATOM 1248 H VAL A 127 8.901 -0.766 12.223 1.00 0.00 H ATOM 1249 N TYR A 128 7.815 1.048 8.698 1.00 9.68 N ATOM 1250 CA TYR A 128 6.512 1.164 7.984 1.00 9.62 C ATOM 1251 C TYR A 128 6.616 0.832 6.508 1.00 11.73 C ATOM 1252 O TYR A 128 7.672 1.037 5.921 1.00 11.57 O ATOM 1253 CB TYR A 128 6.057 2.612 8.014 1.00 10.21 C ATOM 1254 CG TYR A 128 5.724 3.111 9.411 1.00 11.07 C ATOM 1255 CD1 TYR A 128 6.740 3.436 10.370 1.00 10.78 C ATOM 1256 CD2 TYR A 128 4.351 3.318 9.734 1.00 11.25 C ATOM 1257 CE1 TYR A 128 6.352 3.859 11.658 1.00 12.30 C ATOM 1258 CE2 TYR A 128 3.982 3.754 10.991 1.00 11.87 C ATOM 1259 CZ TYR A 128 4.953 4.020 11.932 1.00 11.67 C ATOM 1260 OH TYR A 128 4.492 4.470 13.193 1.00 14.01 O ATOM 1261 HH TYR A 128 5.267 4.630 13.788 1.00 0.00 H ATOM 1262 H TYR A 128 8.586 1.709 8.476 1.00 0.00 H ATOM 1263 N GLU A 129 5.526 0.340 5.923 1.00 11.88 N ATOM 1264 CA GLU A 129 5.498 0.207 4.434 1.00 13.45 C ATOM 1265 C GLU A 129 4.311 0.892 3.913 1.00 12.81 C ATOM 1266 O GLU A 129 3.430 1.280 4.639 1.00 13.04 O ATOM 1267 CB GLU A 129 5.434 -1.313 4.071 1.00 16.29 C ATOM 1268 CG GLU A 129 6.812 -1.897 4.298 1.00 19.42 C ATOM 1269 CD GLU A 129 6.902 -3.398 4.206 1.00 22.09 C ATOM 1270 OE1 GLU A 129 5.847 -4.083 4.181 1.00 22.83 O ATOM 1271 OE2 GLU A 129 8.086 -3.862 4.146 1.00 23.08 O ATOM 1272 H GLU A 129 4.706 0.052 6.494 1.00 0.00 H ATOM 1273 N ARG A 130 4.260 1.140 2.587 1.00 14.14 N ATOM 1274 CA ARG A 130 3.071 1.847 2.019 1.00 13.90 C ATOM 1275 C ARG A 130 1.806 1.111 2.223 1.00 17.12 C ATOM 1276 O ARG A 130 1.755 -0.147 2.113 1.00 18.37 O ATOM 1277 CB ARG A 130 3.274 2.099 0.516 1.00 15.86 C ATOM 1278 CG ARG A 130 4.436 3.054 0.278 1.00 19.42 C ATOM 1279 CD ARG A 130 4.257 3.846 -0.998 1.00 20.64 C ATOM 1280 NE ARG A 130 5.445 4.694 -1.264 1.00 19.22 N ATOM 1281 CZ ARG A 130 5.497 5.995 -0.964 1.00 17.93 C ATOM 1282 NH1 ARG A 130 4.449 6.602 -0.409 1.00 17.81 N ATOM 1283 NH2 ARG A 130 6.560 6.706 -1.294 1.00 16.29 N ATOM 1284 HE ARG A 130 6.278 4.254 -1.705 1.00 0.00 H ATOM 1285 HH12 ARG A 130 4.497 7.615 -0.178 1.00 0.00 H ATOM 1286 HH11 ARG A 130 3.583 6.063 -0.206 1.00 0.00 H ATOM 1287 HH22 ARG A 130 6.601 7.719 -1.061 1.00 0.00 H ATOM 1288 HH21 ARG A 130 7.356 6.253 -1.787 1.00 0.00 H ATOM 1289 H ARG A 130 5.040 0.842 1.967 1.00 0.00 H ATOM 1290 N ALA A 131 0.772 1.879 2.568 1.00 17.16 N ATOM 1291 CA ALA A 131 -0.491 1.303 2.967 1.00 23.25 C ATOM 1292 C ALA A 131 -1.210 0.836 1.704 1.00 30.53 C ATOM 1293 O ALA A 131 -0.920 1.335 0.608 1.00 34.49 O ATOM 1294 CB ALA A 131 -1.319 2.332 3.728 1.00 24.94 C ATOM 1295 OXT ALA A 131 -2.062 -0.057 1.729 1.00 38.21 O ATOM 1296 H ALA A 131 0.877 2.914 2.549 1.00 0.00 H TER 1297 ALA A 131 HETATM 1298 O HOH 1 3.840 27.760 20.255 1.00 31.28 O HETATM 1299 O HOH 2 20.937 11.528 3.955 1.00 50.15 O HETATM 1300 O HOH 3 20.433 5.218 27.911 1.00 33.54 O HETATM 1301 O HOH 4 -4.799 6.042 8.267 1.00 37.09 O HETATM 1302 O HOH 5 10.376 -3.948 28.271 1.00 39.68 O HETATM 1303 O HOH 6 14.903 -2.976 3.119 1.00 39.87 O HETATM 1304 O HOH 7 11.444 -2.994 13.536 1.00 23.74 O HETATM 1305 O HOH 8 -1.655 0.160 10.291 1.00 28.31 O HETATM 1306 O HOH 9 6.295 9.566 -1.813 1.00 20.91 O HETATM 1307 O HOH 10 6.213 0.093 0.807 1.00 20.22 O HETATM 1308 O HOH 11 4.231 28.350 22.791 1.00 31.85 O HETATM 1309 O HOH 12 18.982 17.285 2.592 1.00 31.29 O HETATM 1310 O HOH 13 19.900 20.596 7.392 1.00 29.46 O HETATM 1311 O HOH 14 -1.890 20.487 11.455 1.00 30.99 O HETATM 1312 O HOH 15 7.128 27.799 12.113 1.00 21.88 O HETATM 1313 O HOH 16 13.218 -4.905 28.569 1.00 35.63 O HETATM 1314 O HOH 17 17.442 1.331 13.382 1.00 36.98 O HETATM 1315 O HOH 18 9.788 23.278 5.448 1.00 13.45 O HETATM 1316 O HOH 19 9.484 28.825 16.579 1.00 35.42 O HETATM 1317 O HOH 20 0.038 3.653 -0.238 1.00 37.16 O HETATM 1318 O HOH 21 -3.753 -0.591 22.024 1.00 11.84 O HETATM 1319 O HOH 22 18.713 4.495 2.470 1.00 26.64 O HETATM 1320 O HOH 23 15.582 9.038 3.315 1.00 22.07 O HETATM 1321 O HOH 24 -3.814 -1.236 19.422 1.00 13.29 O HETATM 1322 O HOH 25 15.219 -6.415 21.712 1.00 37.31 O HETATM 1323 O HOH 26 6.647 8.140 12.867 1.00 22.80 O HETATM 1324 O HOH 27 2.883 0.655 18.670 1.00 17.48 O HETATM 1325 O HOH 28 14.818 24.995 17.534 1.00 32.44 O HETATM 1326 O HOH 29 13.856 26.825 15.465 1.00 16.53 O HETATM 1327 O HOH 30 1.057 20.335 5.108 1.00 15.09 O HETATM 1328 O HOH 31 9.456 -7.123 18.272 1.00 45.32 O HETATM 1329 O HOH 32 17.738 0.575 -2.263 1.00 20.33 O HETATM 1330 O HOH 33 4.818 -1.858 25.506 1.00 23.03 O HETATM 1331 O HOH 34 -0.554 -5.136 17.360 1.00 26.68 O HETATM 1332 O HOH 35 2.363 14.353 18.586 1.00 22.16 O HETATM 1333 O HOH 36 11.370 -5.657 20.901 1.00 30.11 O HETATM 1334 O HOH 37 10.407 22.211 12.832 1.00 9.46 O HETATM 1335 O HOH 38 11.681 12.433 12.097 1.00 11.85 O HETATM 1336 O HOH 39 5.244 -2.072 19.770 1.00 29.02 O HETATM 1337 O HOH 40 -0.602 18.976 3.509 1.00 24.74 O HETATM 1338 O HOH 41 8.681 10.570 21.559 1.00 14.83 O HETATM 1339 O HOH 42 4.833 9.955 29.514 1.00 24.58 O HETATM 1340 O HOH 43 4.687 24.457 13.426 1.00 12.10 O HETATM 1341 O HOH 44 8.800 18.527 -1.083 1.00 52.07 O HETATM 1342 O HOH 45 1.847 13.118 14.400 1.00 19.49 O HETATM 1343 O HOH 46 -1.197 8.044 -0.076 1.00 36.54 O HETATM 1344 O HOH 47 1.894 16.171 -0.251 1.00 23.21 O HETATM 1345 O HOH 48 2.271 -3.702 24.586 1.00 28.54 O HETATM 1346 O HOH 49 4.057 27.382 2.452 1.00 19.81 O HETATM 1347 O HOH 50 9.006 -3.821 1.467 1.00 42.42 O HETATM 1348 O HOH 51 16.006 -2.976 -2.820 1.00 21.15 O HETATM 1349 O HOH 52 5.776 15.572 -6.087 1.00 56.13 O HETATM 1350 O HOH 53 -0.178 -2.300 9.910 1.00 37.85 O HETATM 1351 O HOH 54 2.779 -2.710 17.378 1.00 37.27 O HETATM 1352 O HOH 55 9.370 21.199 29.802 1.00 34.79 O HETATM 1353 O HOH 56 13.672 9.937 31.540 1.00 42.01 O HETATM 1354 O HOH 57 19.716 14.908 18.538 1.00 34.24 O HETATM 1355 O HOH 58 7.418 -6.307 15.272 1.00 29.63 O HETATM 1356 O HOH 59 2.374 15.604 30.962 1.00 53.32 O HETATM 1357 O HOH 60 4.996 24.545 -5.933 1.00 50.94 O HETATM 1358 O HOH 61 20.821 8.085 14.989 1.00 43.43 O HETATM 1359 O HOH 62 16.287 21.265 7.349 1.00 18.65 O HETATM 1360 O HOH 63 1.755 5.759 0.179 1.00 16.48 O HETATM 1361 O HOH 64 13.130 21.770 19.925 1.00 21.81 O HETATM 1362 O HOH 65 16.022 18.823 14.272 1.00 19.66 O HETATM 1363 O HOH 66 5.221 22.748 24.389 1.00 29.67 O HETATM 1364 O HOH 67 -8.050 5.926 14.683 1.00 32.78 O HETATM 1365 O HOH 68 11.257 -3.282 24.457 1.00 29.70 O HETATM 1366 O HOH 69 -1.933 9.287 26.869 1.00 41.04 O HETATM 1367 O HOH 70 6.514 11.710 16.450 1.00 27.28 O HETATM 1368 O HOH 71 6.061 27.706 15.460 1.00 24.72 O HETATM 1369 O HOH 72 6.419 22.021 -1.692 1.00 39.19 O HETATM 1370 O HOH 73 -2.792 20.184 1.819 1.00 23.85 O HETATM 1371 O HOH 74 9.643 14.518 32.725 1.00 41.57 O HETATM 1372 O HOH 75 11.377 -2.839 0.631 1.00 20.91 O HETATM 1373 O HOH 76 8.751 4.735 32.721 1.00 33.28 O HETATM 1374 O HOH 77 4.202 -4.225 16.259 1.00 46.63 O HETATM 1375 O HOH 78 16.787 -1.013 17.393 1.00 29.51 O HETATM 1376 O HOH 79 7.241 24.915 12.559 1.00 12.10 O HETATM 1377 O HOH 80 -6.833 10.719 19.821 1.00 26.16 O HETATM 1378 O HOH 81 -0.526 14.455 6.482 1.00 17.05 O HETATM 1379 O HOH 82 8.772 -3.232 20.238 1.00 17.16 O HETATM 1380 O HOH 83 9.179 12.190 31.145 1.00 42.45 O HETATM 1381 O HOH 84 4.002 16.812 -2.280 1.00 39.47 O HETATM 1382 O HOH 85 17.660 13.270 27.761 1.00 28.54 O HETATM 1383 O HOH 86 -2.143 16.007 17.849 1.00 34.06 O HETATM 1384 O HOH 87 14.797 1.151 29.175 1.00 30.23 O HETATM 1385 O HOH 88 3.648 11.305 19.703 1.00 24.60 O HETATM 1386 O HOH 89 6.233 11.423 19.671 1.00 27.73 O HETATM 1387 O HOH 90 8.569 21.493 27.270 1.00 36.58 O HETATM 1388 O HOH 91 0.599 18.802 19.123 1.00 25.33 O HETATM 1389 O HOH 92 4.002 3.414 35.766 1.00 26.70 O HETATM 1390 O HOH 93 22.161 12.291 8.168 1.00 46.92 O HETATM 1391 O HOH 94 0.386 4.896 32.341 1.00 24.52 O HETATM 1392 O HOH 95 8.460 -3.669 22.656 1.00 25.58 O HETATM 1393 O HOH 96 7.590 30.986 8.814 1.00 38.07 O HETATM 1394 O HOH 97 5.238 17.339 29.950 1.00 29.80 O HETATM 1395 O HOH 98 11.532 18.607 1.283 1.00 38.31 O HETATM 1396 O HOH 99 0.394 16.754 18.116 1.00 36.99 O HETATM 1397 O HOH 100 7.888 30.764 0.820 1.00 47.43 O HETATM 1398 O HOH 101 15.520 -5.974 18.784 1.00 40.08 O HETATM 1399 O HOH 102 2.567 8.125 30.779 1.00 33.77 O HETATM 1400 O HOH 103 -7.923 6.558 19.266 1.00 43.04 O HETATM 1401 O HOH 104 6.297 -5.732 18.014 1.00 46.62 O HETATM 1402 O HOH 105 -2.352 19.866 29.821 1.00 44.90 O HETATM 1403 O HOH 106 -9.381 7.461 13.245 1.00 48.75 O HETATM 1404 O HOH 107 17.412 8.927 16.425 1.00 30.64 O HETATM 1405 O HOH 108 16.321 -3.502 28.990 1.00 32.78 O HETATM 1406 O HOH 109 11.508 28.219 1.931 1.00 42.25 O HETATM 1407 O HOH 110 15.948 6.108 10.699 1.00 36.04 O HETATM 1408 O HOH 111 3.138 -5.427 21.830 1.00 39.61 O HETATM 1409 O HOH 112 4.299 13.022 15.696 1.00 74.97 O HETATM 1410 O HOH 113 5.986 -2.701 22.625 1.00 41.08 O HETATM 1411 O HOH 114 18.372 6.599 9.814 1.00 45.15 O HETATM 1412 O HOH 115 6.596 -2.755 0.554 1.00 44.40 O HETATM 1413 O HOH 116 7.172 23.463 26.675 1.00 49.48 O HETATM 1414 O HOH 117 7.353 15.585 4.259 1.00 66.45 O HETATM 1415 O HOH 118 -1.234 16.895 -0.439 1.00 40.43 O HETATM 1416 O HOH 119 16.441 -2.097 5.392 1.00 44.57 O HETATM 1417 O1 L A 19 6.561 5.880 14.327 1.00 -0.57 O HETATM 1418 C22 L A 19 6.697 5.899 15.513 1.00 0.04 C HETATM 1419 O2 L A 19 6.088 4.887 16.092 1.00 -0.57 O HETATM 1420 C21 L A 19 7.482 6.988 16.269 1.00 0.03 C HETATM 1421 C20 L A 19 6.724 8.306 16.486 1.00 0.06 C HETATM 1422 N1 L A 19 5.563 7.949 17.316 1.00 -0.26 N HETATM 1423 C13 L A 19 4.269 7.732 16.828 1.00 0.08 C HETATM 1424 C14 L A 19 3.799 7.956 15.414 1.00 0.01 C HETATM 1425 C15 L A 19 4.077 9.228 14.893 1.00 -0.05 C HETATM 1426 C16 L A 19 3.717 9.542 13.577 1.00 -0.06 C HETATM 1427 C17 L A 19 3.025 8.546 12.820 1.00 -0.06 C HETATM 1428 C18 L A 19 2.735 7.225 13.326 1.00 -0.06 C HETATM 1429 C19 L A 19 3.143 6.945 14.619 1.00 -0.05 C HETATM 1430 H9 L A 19 2.969 5.960 15.037 1.00 0.06 H HETATM 1431 H8 L A 19 2.221 6.486 12.721 1.00 0.06 H HETATM 1432 H7 L A 19 2.702 8.795 11.816 1.00 0.06 H HETATM 1433 H6 L A 19 3.955 10.508 13.146 1.00 0.06 H HETATM 1434 H5 L A 19 4.572 9.969 15.510 1.00 0.06 H HETATM 1435 C6 L A 19 3.383 7.304 17.923 1.00 0.00 C HETATM 1436 C7 L A 19 4.303 7.225 19.102 1.00 -0.02 C HETATM 1437 C8 L A 19 4.048 6.875 20.440 1.00 -0.07 C HETATM 1438 C9 L A 19 5.143 6.969 21.310 1.00 -0.06 C HETATM 1439 C23 L A 19 4.996 6.546 22.717 1.00 -0.01 C HETATM 1440 C24 L A 19 5.358 7.757 23.535 1.00 -0.04 C HETATM 1441 C25 L A 19 3.902 7.222 23.531 1.00 -0.04 C HETATM 1442 H14 L A 19 3.491 6.728 24.424 1.00 0.03 H HETATM 1443 H15 L A 19 3.106 7.788 23.026 1.00 0.03 H HETATM 1444 H12 L A 19 5.597 8.708 23.036 1.00 0.03 H HETATM 1445 H13 L A 19 5.982 7.648 24.434 1.00 0.03 H HETATM 1446 H11 L A 19 5.318 5.514 22.919 1.00 0.04 H HETATM 1447 C10 L A 19 6.444 7.358 20.876 1.00 -0.07 C HETATM 1448 C11 L A 19 6.739 7.702 19.554 1.00 -0.05 C HETATM 1449 C12 L A 19 5.676 7.646 18.632 1.00 0.07 C HETATM 1450 H17 L A 19 7.737 7.998 19.253 1.00 0.05 H HETATM 1451 H16 L A 19 7.244 7.388 21.607 1.00 0.05 H HETATM 1452 H10 L A 19 3.069 6.554 20.776 1.00 0.05 H HETATM 1453 C5 L A 19 1.933 6.954 17.854 1.00 0.01 C HETATM 1454 C4 L A 19 0.923 7.791 17.341 1.00 -0.04 C HETATM 1455 C3 L A 19 -0.423 7.319 17.298 1.00 -0.01 C HETATM 1456 N L A 19 -0.686 6.089 17.800 1.00 -0.32 N HETATM 1457 C2 L A 19 0.214 5.226 18.336 1.00 0.03 C HETATM 1458 C1 L A 19 1.573 5.611 18.375 1.00 0.12 C HETATM 1459 O L A 19 2.573 4.803 18.902 1.00 -0.31 O HETATM 1460 C L A 19 2.064 3.762 19.728 1.00 0.06 C HETATM 1461 H21 L A 19 2.899 3.159 20.114 1.00 0.06 H HETATM 1462 H22 L A 19 1.391 3.122 19.138 1.00 0.06 H HETATM 1463 H23 L A 19 1.508 4.200 20.570 1.00 0.06 H HETATM 1464 H20 L A 19 -0.102 4.265 18.725 1.00 0.07 H HETATM 1465 H19 L A 19 -1.213 7.928 16.875 1.00 0.07 H HETATM 1466 H18 L A 19 1.166 8.785 16.982 1.00 0.06 H HETATM 1467 H3 L A 19 6.396 8.726 15.524 1.00 0.06 H HETATM 1468 H4 L A 19 7.361 9.036 17.007 1.00 0.06 H HETATM 1469 H1 L A 19 8.394 7.210 15.696 1.00 0.05 H HETATM 1470 H2 L A 19 7.757 6.587 17.256 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1417 1418 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 1421 1469 1470 CONECT 1421 1420 1422 1467 1468 CONECT 1422 1421 1423 1449 CONECT 1423 1422 1424 1435 CONECT 1424 1423 1425 1429 CONECT 1425 1424 1426 1434 CONECT 1426 1425 1427 1433 CONECT 1427 1426 1428 1432 CONECT 1428 1427 1429 1431 CONECT 1429 1424 1428 1430 CONECT 1430 1429 CONECT 1431 1428 CONECT 1432 1427 CONECT 1433 1426 CONECT 1434 1425 CONECT 1435 1423 1436 1453 CONECT 1436 1435 1437 1449 CONECT 1437 1436 1438 1452 CONECT 1438 1437 1439 1447 CONECT 1439 1438 1440 1441 1446 CONECT 1440 1439 1441 1444 1445 CONECT 1441 1439 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 CONECT 1444 1440 CONECT 1445 1440 CONECT 1446 1439 CONECT 1447 1438 1448 1451 CONECT 1448 1447 1449 1450 CONECT 1449 1422 1436 1448 CONECT 1450 1448 CONECT 1451 1447 CONECT 1452 1437 CONECT 1453 1435 1454 1458 CONECT 1454 1453 1455 1466 CONECT 1455 1454 1456 1465 CONECT 1456 1455 1457 CONECT 1457 1456 1458 1464 CONECT 1458 1453 1457 1459 CONECT 1459 1458 1460 CONECT 1460 1459 1461 1462 1463 CONECT 1461 1460 CONECT 1462 1460 CONECT 1463 1460 CONECT 1464 1457 CONECT 1465 1455 CONECT 1466 1454 CONECT 1467 1421 CONECT 1468 1421 CONECT 1469 1420 CONECT 1470 1420 MASTER 0 0 0 0 0 0 0 0 1469 1 58 11 END
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Related entries of code: 5d47
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Protein Sequence Similarity
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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
5d47
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Fatty acid-binding protein, adipocyte (FABP4)
Ligand Name
L19
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=0.10uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 435-439
Ligand Properties
Formula
C
2
6
H
2
4
N
2
O
3
Molecular Weight
412.480
Exact Mass
412.179
No. of atoms
55
No. of bonds
59
Polar Surface Area
64.35
LOGP Value
5.97 (
Computed with XLOGP3
)
5.73 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
COc1cnccc1c1c2cc(ccc2n(c1c1ccccc1)CCC(=O)O)C1CC1
InChI String
InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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