Browse entries in the PDBbind-CN Database
HEADER 5FSL_COMPLEX COMPND 5FSL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET UAN A 259 23 ATOM 1 N ALA A 3 13.754 39.237 1.925 1.00 26.95 N ATOM 2 CA ALA A 3 12.423 38.668 1.792 1.00 26.86 C ATOM 3 C ALA A 3 12.480 37.139 1.919 1.00 24.69 C ATOM 4 O ALA A 3 13.158 36.446 1.137 1.00 22.87 O ATOM 5 CB ALA A 3 11.791 39.082 0.480 1.00 28.61 C ATOM 6 HN3 ALA A 3 14.369 38.857 1.177 1.00 0.00 H ATOM 7 HN2 ALA A 3 14.145 38.988 2.856 1.00 0.00 H ATOM 8 HN1 ALA A 3 13.698 40.272 1.837 1.00 0.00 H ATOM 9 N SER A 4 11.795 36.621 2.945 1.00 20.04 N ATOM 10 CA SER A 4 11.830 35.203 3.225 1.00 17.32 C ATOM 11 C SER A 4 10.454 34.601 3.473 1.00 20.46 C ATOM 12 O SER A 4 9.490 35.316 3.785 1.00 23.05 O ATOM 13 CB SER A 4 12.781 34.908 4.376 1.00 19.20 C ATOM 14 OG SER A 4 12.275 35.399 5.607 1.00 23.61 O ATOM 15 HG SER A 4 11.405 34.968 5.800 1.00 0.00 H ATOM 16 H SER A 4 11.228 37.248 3.551 1.00 0.00 H ATOM 17 N ARG A 5 10.349 33.307 3.246 1.00 14.00 N ATOM 18 CA ARG A 5 9.141 32.543 3.453 1.00 11.91 C ATOM 19 C ARG A 5 9.375 31.600 4.637 1.00 11.95 C ATOM 20 O ARG A 5 10.412 30.925 4.714 1.00 10.29 O ATOM 21 CB ARG A 5 8.822 31.749 2.184 1.00 14.10 C ATOM 22 CG ARG A 5 7.513 30.962 2.286 1.00 20.64 C ATOM 23 CD ARG A 5 6.542 31.327 1.205 1.00 32.71 C ATOM 24 NE ARG A 5 5.214 30.761 1.451 1.00 36.33 N ATOM 25 CZ ARG A 5 4.462 30.186 0.517 1.00 51.05 C ATOM 26 NH1 ARG A 5 4.917 30.055 -0.725 1.00 34.41 N ATOM 27 NH2 ARG A 5 3.255 29.726 0.819 1.00 38.53 N ATOM 28 HE ARG A 5 4.835 30.812 2.418 1.00 0.00 H ATOM 29 HH12 ARG A 5 4.324 29.604 -1.451 1.00 0.00 H ATOM 30 HH11 ARG A 5 5.866 30.403 -0.971 1.00 0.00 H ATOM 31 HH22 ARG A 5 2.671 29.277 0.085 1.00 0.00 H ATOM 32 HH21 ARG A 5 2.893 29.814 1.790 1.00 0.00 H ATOM 33 H ARG A 5 11.189 32.804 2.896 1.00 0.00 H ATOM 34 N LEU A 6 8.382 31.489 5.531 1.00 11.15 N ATOM 35 CA LEU A 6 8.489 30.648 6.717 1.00 11.01 C ATOM 36 C LEU A 6 8.287 29.191 6.437 1.00 12.04 C ATOM 37 O LEU A 6 7.349 28.819 5.731 1.00 13.30 O ATOM 38 CB LEU A 6 7.451 31.050 7.760 1.00 12.08 C ATOM 39 CG LEU A 6 7.685 32.345 8.464 1.00 14.24 C ATOM 40 CD1 LEU A 6 6.423 32.755 9.242 1.00 15.70 C ATOM 41 CD2 LEU A 6 8.878 32.280 9.441 1.00 15.83 C ATOM 42 H LEU A 6 7.503 32.022 5.373 1.00 0.00 H ATOM 43 N TYR A 7 9.171 28.346 6.994 1.00 9.87 N ATOM 44 CA TYR A 7 9.030 26.904 6.941 1.00 9.21 C ATOM 45 C TYR A 7 9.349 26.362 8.319 1.00 9.78 C ATOM 46 O TYR A 7 10.002 27.028 9.146 1.00 10.76 O ATOM 47 CB TYR A 7 10.038 26.268 5.977 1.00 10.29 C ATOM 48 CG TYR A 7 9.818 26.587 4.519 1.00 10.48 C ATOM 49 CD1 TYR A 7 10.249 27.793 3.978 1.00 10.79 C ATOM 50 CD2 TYR A 7 9.145 25.701 3.684 1.00 12.38 C ATOM 51 CE1 TYR A 7 9.996 28.122 2.646 1.00 12.37 C ATOM 52 CE2 TYR A 7 8.931 25.999 2.339 1.00 13.24 C ATOM 53 CZ TYR A 7 9.336 27.223 1.838 1.00 13.53 C ATOM 54 OH TYR A 7 9.125 27.545 0.514 1.00 16.42 O ATOM 55 HH TYR A 7 9.477 28.453 0.336 1.00 0.00 H ATOM 56 H TYR A 7 9.995 28.745 7.486 1.00 0.00 H ATOM 57 N THR A 8 8.889 25.127 8.558 1.00 8.74 N ATOM 58 CA THR A 8 9.188 24.401 9.775 1.00 8.49 C ATOM 59 C THR A 8 9.935 23.158 9.431 1.00 10.64 C ATOM 60 O THR A 8 9.853 22.653 8.315 1.00 10.10 O ATOM 61 CB THR A 8 7.900 24.043 10.509 1.00 10.62 C ATOM 62 OG1 THR A 8 7.078 23.223 9.660 1.00 11.85 O ATOM 63 CG2 THR A 8 7.193 25.288 11.047 1.00 12.31 C ATOM 64 HG1 THR A 8 6.860 23.721 8.833 1.00 0.00 H ATOM 65 H THR A 8 8.292 24.670 7.839 1.00 0.00 H ATOM 66 N LEU A 9 10.618 22.604 10.417 1.00 8.97 N ATOM 67 CA LEU A 9 11.321 21.347 10.296 1.00 9.87 C ATOM 68 C LEU A 9 11.345 20.728 11.662 1.00 9.16 C ATOM 69 O LEU A 9 11.808 21.372 12.618 1.00 9.85 O ATOM 70 CB LEU A 9 12.752 21.573 9.776 1.00 10.45 C ATOM 71 CG LEU A 9 13.514 20.331 9.334 1.00 12.46 C ATOM 72 CD1 LEU A 9 12.800 19.619 8.208 1.00 14.33 C ATOM 73 CD2 LEU A 9 14.891 20.723 8.840 1.00 15.46 C ATOM 74 H LEU A 9 10.652 23.100 11.331 1.00 0.00 H ATOM 75 N VAL A 10 10.883 19.470 11.784 1.00 8.35 N ATOM 76 CA VAL A 10 10.757 18.789 13.067 1.00 8.05 C ATOM 77 C VAL A 10 11.553 17.509 13.064 1.00 10.88 C ATOM 78 O VAL A 10 11.370 16.649 12.172 1.00 9.61 O ATOM 79 CB VAL A 10 9.279 18.496 13.373 1.00 10.30 C ATOM 80 CG1 VAL A 10 9.128 17.748 14.698 1.00 11.89 C ATOM 81 CG2 VAL A 10 8.450 19.780 13.385 1.00 11.23 C ATOM 82 H VAL A 10 10.603 18.959 10.922 1.00 0.00 H ATOM 83 N LEU A 11 12.386 17.350 14.093 1.00 9.42 N ATOM 84 CA LEU A 11 13.166 16.141 14.303 1.00 10.00 C ATOM 85 C LEU A 11 12.634 15.425 15.533 1.00 10.72 C ATOM 86 O LEU A 11 12.676 15.970 16.651 1.00 11.01 O ATOM 87 CB LEU A 11 14.663 16.456 14.487 1.00 11.48 C ATOM 88 CG LEU A 11 15.434 16.837 13.225 1.00 15.35 C ATOM 89 CD1 LEU A 11 15.204 15.821 12.073 1.00 17.80 C ATOM 90 CD2 LEU A 11 15.134 18.263 12.770 1.00 20.91 C ATOM 91 H LEU A 11 12.482 18.127 14.777 1.00 0.00 H ATOM 92 N VAL A 12 12.140 14.188 15.338 1.00 10.08 N ATOM 93 CA VAL A 12 11.701 13.348 16.450 1.00 9.87 C ATOM 94 C VAL A 12 12.974 12.598 16.864 1.00 12.01 C ATOM 95 O VAL A 12 13.445 11.673 16.165 1.00 11.45 O ATOM 96 CB VAL A 12 10.568 12.369 16.075 1.00 12.88 C ATOM 97 CG1 VAL A 12 10.164 11.534 17.297 1.00 14.27 C ATOM 98 CG2 VAL A 12 9.375 13.132 15.492 1.00 13.07 C ATOM 99 H VAL A 12 12.069 13.820 14.368 1.00 0.00 H ATOM 100 N LEU A 13 13.586 13.109 17.931 1.00 11.54 N ATOM 101 CA LEU A 13 14.887 12.645 18.354 1.00 12.70 C ATOM 102 C LEU A 13 14.787 12.049 19.724 1.00 15.84 C ATOM 103 O LEU A 13 14.494 12.753 20.689 1.00 15.58 O ATOM 104 CB LEU A 13 15.876 13.828 18.280 1.00 13.20 C ATOM 105 CG LEU A 13 17.270 13.574 18.843 1.00 16.04 C ATOM 106 CD1 LEU A 13 18.036 12.490 18.064 1.00 15.60 C ATOM 107 CD2 LEU A 13 18.082 14.837 18.828 1.00 18.43 C ATOM 108 H LEU A 13 13.115 13.861 18.473 1.00 0.00 H ATOM 109 N GLN A 14 14.991 10.733 19.796 1.00 14.90 N ATOM 110 CA GLN A 14 14.910 9.959 21.017 1.00 15.86 C ATOM 111 C GLN A 14 16.335 9.644 21.457 1.00 18.47 C ATOM 112 O GLN A 14 17.276 9.900 20.708 1.00 17.81 O ATOM 113 CB GLN A 14 14.045 8.712 20.781 1.00 17.43 C ATOM 114 CG GLN A 14 12.593 9.077 20.477 1.00 20.81 C ATOM 115 CD GLN A 14 11.697 7.888 20.235 1.00 27.82 C ATOM 116 OE1 GLN A 14 12.144 6.787 19.908 1.00 24.18 O ATOM 117 NE2 GLN A 14 10.397 8.113 20.327 1.00 24.57 N ATOM 118 HE22 GLN A 14 10.050 9.053 20.606 1.00 0.00 H ATOM 119 HE21 GLN A 14 9.721 7.350 20.121 1.00 0.00 H ATOM 120 H GLN A 14 15.224 10.229 18.917 1.00 0.00 H ATOM 121 N PRO A 15 16.568 9.153 22.682 1.00 19.27 N ATOM 122 CA PRO A 15 17.959 9.004 23.127 1.00 20.14 C ATOM 123 C PRO A 15 18.844 8.109 22.255 1.00 24.97 C ATOM 124 O PRO A 15 20.040 8.394 22.132 1.00 25.83 O ATOM 125 CB PRO A 15 17.812 8.460 24.546 1.00 22.47 C ATOM 126 CG PRO A 15 16.492 8.986 25.005 1.00 26.28 C ATOM 127 CD PRO A 15 15.621 8.864 23.779 1.00 21.90 C ATOM 128 N GLN A 16 18.236 7.102 21.580 1.00 23.06 N ATOM 129 CA GLN A 16 18.947 6.117 20.771 1.00 25.36 C ATOM 130 C GLN A 16 18.552 6.063 19.289 1.00 26.45 C ATOM 131 O GLN A 16 18.909 5.100 18.607 1.00 27.25 O ATOM 132 CB GLN A 16 18.753 4.729 21.407 1.00 28.06 C ATOM 133 H GLN A 16 17.201 7.027 21.643 1.00 0.00 H ATOM 134 N ARG A 17 17.799 7.062 18.783 1.00 17.42 N ATOM 135 CA ARG A 17 17.378 7.061 17.374 1.00 15.63 C ATOM 136 C ARG A 17 16.671 8.339 16.975 1.00 14.67 C ATOM 137 O ARG A 17 16.172 9.064 17.838 1.00 13.81 O ATOM 138 CB ARG A 17 16.474 5.864 17.048 1.00 16.45 C ATOM 139 CG ARG A 17 15.239 5.827 17.870 1.00 14.61 C ATOM 140 CD ARG A 17 14.436 4.586 17.583 1.00 20.18 C ATOM 141 NE ARG A 17 13.105 4.726 18.141 1.00 18.18 N ATOM 142 CZ ARG A 17 12.124 3.856 17.925 1.00 21.62 C ATOM 143 NH1 ARG A 17 12.330 2.792 17.163 1.00 23.45 N ATOM 144 NH2 ARG A 17 10.933 4.045 18.469 1.00 20.72 N ATOM 145 HE ARG A 17 12.908 5.551 18.742 1.00 0.00 H ATOM 146 HH12 ARG A 17 11.559 2.114 16.997 1.00 0.00 H ATOM 147 HH11 ARG A 17 13.263 2.635 16.731 1.00 0.00 H ATOM 148 HH22 ARG A 17 10.168 3.361 18.297 1.00 0.00 H ATOM 149 HH21 ARG A 17 10.761 4.877 19.069 1.00 0.00 H ATOM 150 H ARG A 17 17.511 7.847 19.401 1.00 0.00 H ATOM 151 N VAL A 18 16.585 8.563 15.672 1.00 11.43 N ATOM 152 CA VAL A 18 15.900 9.730 15.120 1.00 10.70 C ATOM 153 C VAL A 18 15.000 9.257 13.983 1.00 11.71 C ATOM 154 O VAL A 18 15.384 8.340 13.235 1.00 11.36 O ATOM 155 CB VAL A 18 16.937 10.813 14.658 1.00 13.22 C ATOM 156 CG1 VAL A 18 17.839 10.293 13.529 1.00 14.27 C ATOM 157 CG2 VAL A 18 16.248 12.115 14.252 1.00 12.57 C ATOM 158 H VAL A 18 17.021 7.883 15.017 1.00 0.00 H ATOM 159 N LEU A 19 13.827 9.890 13.837 1.00 9.73 N ATOM 160 CA LEU A 19 12.917 9.546 12.744 1.00 10.44 C ATOM 161 C LEU A 19 13.185 10.501 11.593 1.00 10.97 C ATOM 162 O LEU A 19 13.232 11.722 11.793 1.00 10.58 O ATOM 163 CB LEU A 19 11.471 9.712 13.206 1.00 10.76 C ATOM 164 CG LEU A 19 10.412 9.211 12.221 1.00 11.14 C ATOM 165 CD1 LEU A 19 10.460 7.722 12.092 1.00 12.66 C ATOM 166 CD2 LEU A 19 9.034 9.612 12.659 1.00 13.07 C ATOM 167 H LEU A 19 13.560 10.636 14.510 1.00 0.00 H ATOM 168 N LEU A 20 13.364 9.947 10.395 1.00 9.16 N ATOM 169 CA LEU A 20 13.488 10.751 9.188 1.00 8.96 C ATOM 170 C LEU A 20 12.498 10.234 8.174 1.00 10.81 C ATOM 171 O LEU A 20 11.992 9.123 8.317 1.00 11.90 O ATOM 172 CB LEU A 20 14.910 10.701 8.600 1.00 9.24 C ATOM 173 CG LEU A 20 16.009 11.277 9.512 1.00 10.35 C ATOM 174 CD1 LEU A 20 17.425 10.907 8.998 1.00 12.02 C ATOM 175 CD2 LEU A 20 15.870 12.816 9.666 1.00 11.68 C ATOM 176 H LEU A 20 13.417 8.911 10.320 1.00 0.00 H ATOM 177 N GLY A 21 12.171 11.050 7.179 1.00 9.74 N ATOM 178 CA GLY A 21 11.244 10.618 6.145 1.00 9.64 C ATOM 179 C GLY A 21 11.852 10.784 4.784 1.00 10.39 C ATOM 180 O GLY A 21 12.477 11.809 4.490 1.00 10.98 O ATOM 181 H GLY A 21 12.581 12.005 7.139 1.00 0.00 H ATOM 182 N MET A 22 11.692 9.761 3.953 1.00 10.25 N ATOM 183 CA MET A 22 12.163 9.803 2.574 1.00 10.43 C ATOM 184 C MET A 22 11.052 10.463 1.770 1.00 11.72 C ATOM 185 O MET A 22 9.951 9.914 1.614 1.00 10.41 O ATOM 186 CB MET A 22 12.462 8.371 2.079 1.00 12.33 C ATOM 187 CG MET A 22 12.675 8.222 0.571 1.00 15.40 C ATOM 188 SD MET A 22 13.953 9.301 -0.108 1.00 16.88 S ATOM 189 CE MET A 22 15.474 8.652 0.723 1.00 14.40 C ATOM 190 H MET A 22 11.216 8.903 4.297 1.00 0.00 H ATOM 191 N LYS A 23 11.329 11.659 1.236 1.00 12.02 N ATOM 192 CA LYS A 23 10.321 12.418 0.520 1.00 12.55 C ATOM 193 C LYS A 23 10.156 11.859 -0.880 1.00 14.58 C ATOM 194 O LYS A 23 11.140 11.632 -1.587 1.00 14.89 O ATOM 195 CB LYS A 23 10.753 13.882 0.501 1.00 15.26 C ATOM 196 CG LYS A 23 9.636 14.863 0.157 1.00 17.00 C ATOM 197 CD LYS A 23 10.030 16.244 0.618 1.00 24.16 C ATOM 198 H LYS A 23 12.287 12.052 1.337 1.00 0.00 H ATOM 199 N LYS A 24 8.909 11.598 -1.285 1.00 14.21 N ATOM 200 CA LYS A 24 8.671 10.970 -2.567 1.00 15.71 C ATOM 201 C LYS A 24 8.395 11.965 -3.678 1.00 21.89 C ATOM 202 O LYS A 24 8.599 11.617 -4.834 1.00 23.37 O ATOM 203 CB LYS A 24 7.496 9.977 -2.436 1.00 18.60 C ATOM 204 CG LYS A 24 7.708 8.936 -1.336 1.00 18.94 C ATOM 205 CD LYS A 24 6.512 7.959 -1.302 1.00 18.40 C ATOM 206 CE LYS A 24 6.663 6.905 -0.246 1.00 14.66 C ATOM 207 NZ LYS A 24 5.578 5.893 -0.357 1.00 17.71 N ATOM 208 HZ1 LYS A 24 4.656 6.360 -0.238 1.00 0.00 H ATOM 209 HZ2 LYS A 24 5.621 5.442 -1.293 1.00 0.00 H ATOM 210 HZ3 LYS A 24 5.701 5.172 0.383 1.00 0.00 H ATOM 211 H LYS A 24 8.105 11.848 -0.675 1.00 0.00 H ATOM 212 N ARG A 25 7.907 13.166 -3.341 1.00 22.38 N ATOM 213 CA ARG A 25 7.514 14.185 -4.320 1.00 24.14 C ATOM 214 C ARG A 25 7.950 15.601 -3.938 1.00 27.05 C ATOM 215 O ARG A 25 8.223 15.862 -2.775 1.00 25.10 O ATOM 216 CB ARG A 25 5.985 14.144 -4.515 1.00 28.43 C ATOM 217 H ARG A 25 7.801 13.388 -2.331 1.00 0.00 H ATOM 218 N GLY A 26 7.998 16.493 -4.930 1.00 24.01 N ATOM 219 CA GLY A 26 8.318 17.902 -4.741 1.00 23.45 C ATOM 220 C GLY A 26 9.736 18.208 -4.312 1.00 24.64 C ATOM 221 O GLY A 26 10.667 17.453 -4.612 1.00 23.19 O ATOM 222 H GLY A 26 7.795 16.163 -5.895 1.00 0.00 H ATOM 223 N PHE A 27 9.885 19.326 -3.566 1.00 22.05 N ATOM 224 CA PHE A 27 11.155 19.867 -3.083 1.00 22.63 C ATOM 225 C PHE A 27 11.845 18.908 -2.140 1.00 23.21 C ATOM 226 O PHE A 27 11.356 18.650 -1.045 1.00 23.01 O ATOM 227 CB PHE A 27 10.966 21.235 -2.407 1.00 25.20 C ATOM 228 H PHE A 27 9.021 19.847 -3.314 1.00 0.00 H ATOM 229 N GLY A 28 12.975 18.383 -2.586 1.00 21.33 N ATOM 230 CA GLY A 28 13.764 17.462 -1.788 1.00 19.82 C ATOM 231 C GLY A 28 13.405 16.002 -1.982 1.00 18.23 C ATOM 232 O GLY A 28 13.874 15.152 -1.225 1.00 15.96 O ATOM 233 H GLY A 28 13.308 18.638 -3.538 1.00 0.00 H ATOM 234 N ALA A 29 12.623 15.679 -3.022 1.00 15.49 N ATOM 235 CA ALA A 29 12.292 14.281 -3.259 1.00 16.21 C ATOM 236 C ALA A 29 13.576 13.456 -3.441 1.00 18.30 C ATOM 237 O ALA A 29 14.550 13.949 -4.023 1.00 18.62 O ATOM 238 CB ALA A 29 11.409 14.164 -4.486 1.00 18.44 C ATOM 239 H ALA A 29 12.256 16.420 -3.653 1.00 0.00 H ATOM 240 N GLY A 30 13.612 12.251 -2.870 1.00 14.14 N ATOM 241 CA GLY A 30 14.770 11.370 -2.952 1.00 13.98 C ATOM 242 C GLY A 30 15.745 11.517 -1.789 1.00 16.06 C ATOM 243 O GLY A 30 16.735 10.782 -1.707 1.00 15.83 O ATOM 244 H GLY A 30 12.777 11.926 -2.343 1.00 0.00 H ATOM 245 N ARG A 31 15.473 12.456 -0.866 1.00 12.46 N ATOM 246 CA ARG A 31 16.303 12.623 0.320 1.00 11.40 C ATOM 247 C ARG A 31 15.542 12.353 1.578 1.00 12.24 C ATOM 248 O ARG A 31 14.317 12.598 1.638 1.00 12.98 O ATOM 249 CB ARG A 31 16.834 14.058 0.395 1.00 11.73 C ATOM 250 CG ARG A 31 18.050 14.237 -0.475 1.00 15.04 C ATOM 251 CD ARG A 31 18.433 15.679 -0.667 1.00 15.91 C ATOM 252 NE ARG A 31 19.768 15.716 -1.275 1.00 14.50 N ATOM 253 CZ ARG A 31 20.316 16.772 -1.872 1.00 15.63 C ATOM 254 NH1 ARG A 31 19.658 17.914 -1.946 1.00 15.54 N ATOM 255 NH2 ARG A 31 21.550 16.701 -2.356 1.00 16.90 N ATOM 256 HE ARG A 31 20.333 14.844 -1.236 1.00 0.00 H ATOM 257 HH12 ARG A 31 20.092 18.735 -2.414 1.00 0.00 H ATOM 258 HH11 ARG A 31 18.705 17.993 -1.536 1.00 0.00 H ATOM 259 HH22 ARG A 31 21.974 17.528 -2.822 1.00 0.00 H ATOM 260 HH21 ARG A 31 22.092 15.818 -2.270 1.00 0.00 H ATOM 261 H ARG A 31 14.651 13.078 -1.002 1.00 0.00 H ATOM 262 N TRP A 32 16.274 11.885 2.586 1.00 10.40 N ATOM 263 CA TRP A 32 15.754 11.743 3.944 1.00 10.22 C ATOM 264 C TRP A 32 15.761 13.114 4.574 1.00 10.28 C ATOM 265 O TRP A 32 16.748 13.860 4.412 1.00 11.30 O ATOM 266 CB TRP A 32 16.644 10.811 4.772 1.00 10.00 C ATOM 267 CG TRP A 32 16.650 9.412 4.275 1.00 10.75 C ATOM 268 CD1 TRP A 32 17.640 8.798 3.553 1.00 13.60 C ATOM 269 CD2 TRP A 32 15.668 8.414 4.545 1.00 10.17 C ATOM 270 NE1 TRP A 32 17.295 7.497 3.303 1.00 13.68 N ATOM 271 CE2 TRP A 32 16.087 7.232 3.904 1.00 14.17 C ATOM 272 CE3 TRP A 32 14.472 8.401 5.267 1.00 10.41 C ATOM 273 CZ2 TRP A 32 15.314 6.064 3.914 1.00 13.57 C ATOM 274 CZ3 TRP A 32 13.732 7.232 5.319 1.00 12.66 C ATOM 275 CH2 TRP A 32 14.148 6.086 4.628 1.00 13.39 C ATOM 276 HE1 TRP A 32 17.856 6.819 2.748 1.00 0.00 H ATOM 277 H TRP A 32 17.259 11.608 2.399 1.00 0.00 H ATOM 278 N ASN A 33 14.679 13.470 5.258 1.00 9.99 N ATOM 279 CA ASN A 33 14.566 14.754 5.913 1.00 11.84 C ATOM 280 C ASN A 33 13.738 14.660 7.142 1.00 11.56 C ATOM 281 O ASN A 33 13.004 13.713 7.331 1.00 11.01 O ATOM 282 CB ASN A 33 13.929 15.799 4.960 1.00 16.90 C ATOM 283 CG ASN A 33 12.630 15.443 4.213 1.00 22.32 C ATOM 284 OD1 ASN A 33 12.374 15.987 3.125 1.00 26.79 O ATOM 285 ND2 ASN A 33 11.706 14.615 4.755 1.00 16.52 N ATOM 286 HD22 ASN A 33 11.896 14.148 5.664 1.00 0.00 H ATOM 287 HD21 ASN A 33 10.806 14.446 4.262 1.00 0.00 H ATOM 288 H ASN A 33 13.885 12.801 5.325 1.00 0.00 H ATOM 289 N GLY A 34 13.821 15.700 7.966 1.00 10.46 N ATOM 290 CA GLY A 34 12.857 15.912 9.016 1.00 10.38 C ATOM 291 C GLY A 34 11.521 16.311 8.381 1.00 10.33 C ATOM 292 O GLY A 34 11.398 16.398 7.151 1.00 10.56 O ATOM 293 H GLY A 34 14.601 16.378 7.850 1.00 0.00 H ATOM 294 N PHE A 35 10.513 16.508 9.200 1.00 8.68 N ATOM 295 CA PHE A 35 9.163 16.748 8.733 1.00 8.68 C ATOM 296 C PHE A 35 8.787 18.186 8.851 1.00 9.33 C ATOM 297 O PHE A 35 9.038 18.794 9.877 1.00 9.86 O ATOM 298 CB PHE A 35 8.186 15.865 9.513 1.00 10.01 C ATOM 299 CG PHE A 35 8.565 14.407 9.416 1.00 9.32 C ATOM 300 CD1 PHE A 35 8.262 13.665 8.271 1.00 10.31 C ATOM 301 CD2 PHE A 35 9.199 13.774 10.472 1.00 10.84 C ATOM 302 CE1 PHE A 35 8.634 12.327 8.183 1.00 10.30 C ATOM 303 CE2 PHE A 35 9.598 12.447 10.369 1.00 11.94 C ATOM 304 CZ PHE A 35 9.297 11.729 9.233 1.00 10.58 C ATOM 305 H PHE A 35 10.691 16.491 10.224 1.00 0.00 H ATOM 306 N GLY A 36 8.205 18.777 7.834 1.00 10.12 N ATOM 307 CA GLY A 36 7.857 20.197 7.933 1.00 11.43 C ATOM 308 C GLY A 36 7.306 20.727 6.635 1.00 12.93 C ATOM 309 O GLY A 36 7.071 19.962 5.682 1.00 13.53 O ATOM 310 H GLY A 36 7.993 18.243 6.967 1.00 0.00 H ATOM 311 N GLY A 37 7.101 22.022 6.582 1.00 10.35 N ATOM 312 CA GLY A 37 6.613 22.664 5.375 1.00 10.86 C ATOM 313 C GLY A 37 6.272 24.098 5.667 1.00 10.23 C ATOM 314 O GLY A 37 6.757 24.693 6.648 1.00 9.16 O ATOM 315 H GLY A 37 7.293 22.602 7.424 1.00 0.00 H ATOM 316 N LYS A 38 5.493 24.688 4.761 1.00 10.97 N ATOM 317 CA LYS A 38 5.120 26.109 4.846 1.00 10.83 C ATOM 318 C LYS A 38 4.178 26.362 6.003 1.00 12.42 C ATOM 319 O LYS A 38 3.413 25.503 6.380 1.00 13.97 O ATOM 320 CB LYS A 38 4.434 26.530 3.540 1.00 13.02 C ATOM 321 CG LYS A 38 5.391 26.516 2.359 1.00 14.26 C ATOM 322 CD LYS A 38 4.598 26.569 1.039 1.00 24.11 C ATOM 323 CE LYS A 38 5.481 26.252 -0.147 1.00 30.28 C ATOM 324 H LYS A 38 5.135 24.123 3.964 1.00 0.00 H ATOM 325 N VAL A 39 4.298 27.524 6.627 1.00 13.15 N ATOM 326 CA VAL A 39 3.432 27.974 7.715 1.00 11.54 C ATOM 327 C VAL A 39 2.252 28.703 7.054 1.00 14.70 C ATOM 328 O VAL A 39 2.452 29.442 6.072 1.00 14.98 O ATOM 329 CB VAL A 39 4.195 28.864 8.708 1.00 13.14 C ATOM 330 CG1 VAL A 39 3.274 29.363 9.815 1.00 12.88 C ATOM 331 CG2 VAL A 39 5.382 28.118 9.312 1.00 12.50 C ATOM 332 H VAL A 39 5.062 28.161 6.322 1.00 0.00 H ATOM 333 N GLN A 40 1.049 28.514 7.563 1.00 12.48 N ATOM 334 CA GLN A 40 -0.122 29.122 6.934 1.00 12.96 C ATOM 335 C GLN A 40 -0.494 30.468 7.518 1.00 13.38 C ATOM 336 O GLN A 40 0.015 30.871 8.574 1.00 12.12 O ATOM 337 CB GLN A 40 -1.283 28.140 7.022 1.00 15.02 C ATOM 338 CG GLN A 40 -0.985 26.901 6.162 1.00 21.43 C ATOM 339 CD GLN A 40 -1.957 25.761 6.294 1.00 32.94 C ATOM 340 OE1 GLN A 40 -2.955 25.814 7.024 1.00 30.13 O ATOM 341 NE2 GLN A 40 -1.660 24.678 5.578 1.00 31.34 N ATOM 342 HE22 GLN A 40 -0.813 24.669 4.975 1.00 0.00 H ATOM 343 HE21 GLN A 40 -2.276 23.841 5.622 1.00 0.00 H ATOM 344 H GLN A 40 0.934 27.930 8.416 1.00 0.00 H ATOM 345 N GLU A 41 -1.323 31.211 6.793 1.00 12.47 N ATOM 346 CA GLU A 41 -1.832 32.485 7.275 1.00 12.56 C ATOM 347 C GLU A 41 -2.612 32.277 8.559 1.00 14.38 C ATOM 348 O GLU A 41 -3.432 31.369 8.642 1.00 14.09 O ATOM 349 CB GLU A 41 -2.755 33.078 6.199 1.00 13.49 C ATOM 350 CG GLU A 41 -1.982 33.484 4.961 1.00 14.40 C ATOM 351 CD GLU A 41 -2.799 34.000 3.799 1.00 25.19 C ATOM 352 OE1 GLU A 41 -4.050 33.962 3.873 1.00 22.31 O ATOM 353 OE2 GLU A 41 -2.180 34.510 2.836 1.00 23.79 O ATOM 354 H GLU A 41 -1.616 30.872 5.855 1.00 0.00 H ATOM 355 N GLY A 42 -2.333 33.086 9.575 1.00 13.12 N ATOM 356 CA GLY A 42 -3.030 33.026 10.845 1.00 13.97 C ATOM 357 C GLY A 42 -2.600 31.887 11.749 1.00 14.79 C ATOM 358 O GLY A 42 -3.209 31.677 12.794 1.00 16.90 O ATOM 359 H GLY A 42 -1.581 33.794 9.454 1.00 0.00 H ATOM 360 N GLU A 43 -1.570 31.156 11.363 1.00 13.90 N ATOM 361 CA GLU A 43 -1.094 30.024 12.116 1.00 14.00 C ATOM 362 C GLU A 43 0.246 30.406 12.737 1.00 13.12 C ATOM 363 O GLU A 43 1.062 31.003 12.055 1.00 13.97 O ATOM 364 CB GLU A 43 -0.914 28.863 11.106 1.00 15.88 C ATOM 365 CG GLU A 43 -0.365 27.598 11.723 1.00 17.10 C ATOM 366 CD GLU A 43 -0.181 26.503 10.695 1.00 12.64 C ATOM 367 OE1 GLU A 43 0.579 26.669 9.716 1.00 12.92 O ATOM 368 OE2 GLU A 43 -0.736 25.419 10.955 1.00 15.46 O ATOM 369 H GLU A 43 -1.083 31.408 10.479 1.00 0.00 H ATOM 370 N THR A 44 0.511 29.990 13.978 1.00 12.74 N ATOM 371 CA THR A 44 1.847 30.242 14.534 1.00 11.27 C ATOM 372 C THR A 44 2.841 29.263 13.934 1.00 12.32 C ATOM 373 O THR A 44 2.449 28.197 13.458 1.00 12.00 O ATOM 374 CB THR A 44 1.866 30.078 16.078 1.00 16.68 C ATOM 375 OG1 THR A 44 1.603 28.712 16.388 1.00 17.57 O ATOM 376 CG2 THR A 44 0.878 30.999 16.789 1.00 17.95 C ATOM 377 HG1 THR A 44 1.612 28.590 17.370 1.00 0.00 H ATOM 378 H THR A 44 -0.213 29.498 14.539 1.00 0.00 H ATOM 379 N ILE A 45 4.120 29.590 14.017 1.00 11.67 N ATOM 380 CA ILE A 45 5.158 28.697 13.509 1.00 11.40 C ATOM 381 C ILE A 45 5.080 27.340 14.243 1.00 13.07 C ATOM 382 O ILE A 45 5.133 26.297 13.586 1.00 11.74 O ATOM 383 CB ILE A 45 6.546 29.371 13.667 1.00 13.20 C ATOM 384 CG1 ILE A 45 6.630 30.614 12.768 1.00 14.15 C ATOM 385 CG2 ILE A 45 7.696 28.406 13.307 1.00 13.38 C ATOM 386 CD1 ILE A 45 7.884 31.484 12.999 1.00 16.68 C ATOM 387 H ILE A 45 4.390 30.496 14.450 1.00 0.00 H ATOM 388 N GLU A 46 4.924 27.358 15.601 1.00 12.33 N ATOM 389 CA GLU A 46 4.847 26.101 16.337 1.00 13.30 C ATOM 390 C GLU A 46 3.638 25.288 15.937 1.00 13.48 C ATOM 391 O GLU A 46 3.741 24.075 15.775 1.00 12.65 O ATOM 392 CB GLU A 46 4.848 26.363 17.832 1.00 15.71 C ATOM 393 CG GLU A 46 5.188 25.115 18.626 1.00 19.39 C ATOM 394 CD GLU A 46 5.046 25.316 20.119 1.00 31.50 C ATOM 395 OE1 GLU A 46 5.542 26.348 20.625 1.00 29.76 O ATOM 396 OE2 GLU A 46 4.383 24.478 20.769 1.00 33.66 O ATOM 397 H GLU A 46 4.860 28.264 16.107 1.00 0.00 H ATOM 398 N ASP A 47 2.477 25.946 15.738 1.00 12.82 N ATOM 399 CA ASP A 47 1.315 25.191 15.288 1.00 12.96 C ATOM 400 C ASP A 47 1.523 24.617 13.884 1.00 12.38 C ATOM 401 O ASP A 47 1.099 23.494 13.598 1.00 12.20 O ATOM 402 CB ASP A 47 0.042 26.035 15.367 1.00 15.67 C ATOM 403 CG ASP A 47 -0.448 26.280 16.800 1.00 19.59 C ATOM 404 OD1 ASP A 47 0.068 25.618 17.739 1.00 24.52 O ATOM 405 OD2 ASP A 47 -1.356 27.096 16.976 1.00 23.86 O ATOM 406 H ASP A 47 2.413 26.971 15.902 1.00 0.00 H ATOM 407 N GLY A 48 2.233 25.349 13.039 1.00 10.91 N ATOM 408 CA GLY A 48 2.566 24.826 11.725 1.00 11.22 C ATOM 409 C GLY A 48 3.472 23.618 11.787 1.00 10.67 C ATOM 410 O GLY A 48 3.295 22.676 11.009 1.00 10.50 O ATOM 411 H GLY A 48 2.552 26.299 13.316 1.00 0.00 H ATOM 412 N ALA A 49 4.427 23.641 12.717 1.00 10.10 N ATOM 413 CA ALA A 49 5.350 22.523 12.907 1.00 10.02 C ATOM 414 C ALA A 49 4.597 21.267 13.367 1.00 10.66 C ATOM 415 O ALA A 49 4.803 20.196 12.807 1.00 10.51 O ATOM 416 CB ALA A 49 6.416 22.902 13.932 1.00 11.38 C ATOM 417 H ALA A 49 4.518 24.479 13.326 1.00 0.00 H ATOM 418 N ARG A 50 3.634 21.434 14.297 1.00 9.88 N ATOM 419 CA ARG A 50 2.850 20.309 14.796 1.00 10.82 C ATOM 420 C ARG A 50 1.965 19.740 13.672 1.00 11.85 C ATOM 421 O ARG A 50 1.869 18.521 13.478 1.00 11.08 O ATOM 422 CB ARG A 50 2.004 20.820 15.960 1.00 13.22 C ATOM 423 CG ARG A 50 1.178 19.761 16.668 1.00 16.24 C ATOM 424 CD ARG A 50 0.505 20.346 17.900 1.00 20.87 C ATOM 425 NE ARG A 50 1.498 20.695 18.913 1.00 23.49 N ATOM 426 CZ ARG A 50 1.860 21.935 19.225 1.00 26.81 C ATOM 427 NH1 ARG A 50 1.289 22.972 18.627 1.00 25.73 N ATOM 428 NH2 ARG A 50 2.784 22.146 20.150 1.00 29.01 N ATOM 429 HE ARG A 50 1.955 19.916 19.428 1.00 0.00 H ATOM 430 HH12 ARG A 50 1.577 23.940 18.876 1.00 0.00 H ATOM 431 HH11 ARG A 50 0.553 22.818 17.909 1.00 0.00 H ATOM 432 HH22 ARG A 50 3.065 23.118 20.392 1.00 0.00 H ATOM 433 HH21 ARG A 50 3.228 21.340 20.634 1.00 0.00 H ATOM 434 H ARG A 50 3.446 22.388 14.667 1.00 0.00 H ATOM 435 N ARG A 51 1.322 20.650 12.898 1.00 10.18 N ATOM 436 CA ARG A 51 0.459 20.237 11.813 1.00 11.11 C ATOM 437 C ARG A 51 1.257 19.481 10.746 1.00 13.39 C ATOM 438 O ARG A 51 0.841 18.416 10.300 1.00 12.53 O ATOM 439 CB ARG A 51 -0.224 21.460 11.208 1.00 12.11 C ATOM 440 CG ARG A 51 -0.991 21.119 9.927 1.00 12.24 C ATOM 441 CD ARG A 51 -1.628 22.360 9.276 1.00 14.49 C ATOM 442 NE ARG A 51 -0.651 23.441 9.034 1.00 11.71 N ATOM 443 CZ ARG A 51 0.272 23.436 8.086 1.00 13.14 C ATOM 444 NH1 ARG A 51 0.348 22.423 7.221 1.00 14.40 N ATOM 445 NH2 ARG A 51 1.132 24.440 7.986 1.00 13.53 N ATOM 446 HE ARG A 51 -0.692 24.272 9.658 1.00 0.00 H ATOM 447 HH12 ARG A 51 1.076 22.427 6.479 1.00 0.00 H ATOM 448 HH11 ARG A 51 -0.321 21.630 7.289 1.00 0.00 H ATOM 449 HH22 ARG A 51 1.856 24.432 7.239 1.00 0.00 H ATOM 450 HH21 ARG A 51 1.083 25.235 8.654 1.00 0.00 H ATOM 451 H ARG A 51 1.452 21.664 13.088 1.00 0.00 H ATOM 452 N GLU A 52 2.426 20.010 10.352 1.00 11.40 N ATOM 453 CA GLU A 52 3.218 19.329 9.327 1.00 11.51 C ATOM 454 C GLU A 52 3.748 17.994 9.796 1.00 12.51 C ATOM 455 O GLU A 52 3.854 17.062 8.995 1.00 11.59 O ATOM 456 CB GLU A 52 4.338 20.223 8.813 1.00 13.71 C ATOM 457 CG GLU A 52 3.842 21.379 7.956 1.00 19.74 C ATOM 458 CD GLU A 52 3.486 21.030 6.524 1.00 24.48 C ATOM 459 OE1 GLU A 52 3.776 19.895 6.086 1.00 23.58 O ATOM 460 OE2 GLU A 52 2.966 21.923 5.817 1.00 27.31 O ATOM 461 H GLU A 52 2.767 20.898 10.772 1.00 0.00 H ATOM 462 N LEU A 53 4.111 17.896 11.083 1.00 10.73 N ATOM 463 CA LEU A 53 4.572 16.596 11.564 1.00 10.27 C ATOM 464 C LEU A 53 3.458 15.546 11.363 1.00 12.57 C ATOM 465 O LEU A 53 3.714 14.458 10.865 1.00 12.98 O ATOM 466 CB LEU A 53 5.000 16.646 13.043 1.00 10.20 C ATOM 467 CG LEU A 53 5.459 15.304 13.610 1.00 11.61 C ATOM 468 CD1 LEU A 53 6.769 14.816 12.943 1.00 11.42 C ATOM 469 CD2 LEU A 53 5.617 15.353 15.107 1.00 11.79 C ATOM 470 H LEU A 53 4.066 18.718 11.718 1.00 0.00 H ATOM 471 N GLN A 54 2.209 15.894 11.668 1.00 10.69 N ATOM 472 CA GLN A 54 1.093 14.973 11.465 1.00 12.31 C ATOM 473 C GLN A 54 0.882 14.675 9.977 1.00 14.12 C ATOM 474 O GLN A 54 0.775 13.505 9.588 1.00 14.01 O ATOM 475 CB GLN A 54 -0.170 15.581 12.099 1.00 14.02 C ATOM 476 CG GLN A 54 -1.495 14.871 11.758 1.00 19.00 C ATOM 477 CD GLN A 54 -1.524 13.410 12.058 1.00 31.50 C ATOM 478 OE1 GLN A 54 -1.239 12.968 13.185 1.00 30.82 O ATOM 479 NE2 GLN A 54 -1.915 12.630 11.047 1.00 22.40 N ATOM 480 HE22 GLN A 54 -2.142 13.051 10.123 1.00 0.00 H ATOM 481 HE21 GLN A 54 -1.993 11.602 11.183 1.00 0.00 H ATOM 482 H GLN A 54 2.024 16.840 12.058 1.00 0.00 H ATOM 483 N GLU A 55 0.828 15.716 9.146 1.00 12.87 N ATOM 484 CA GLU A 55 0.572 15.515 7.723 1.00 12.41 C ATOM 485 C GLU A 55 1.611 14.614 7.078 1.00 14.89 C ATOM 486 O GLU A 55 1.259 13.741 6.278 1.00 15.08 O ATOM 487 CB GLU A 55 0.557 16.857 6.991 1.00 13.47 C ATOM 488 CG GLU A 55 -0.632 17.743 7.329 1.00 18.36 C ATOM 489 CD GLU A 55 -0.629 19.069 6.588 1.00 22.20 C ATOM 490 OE1 GLU A 55 0.187 19.237 5.652 1.00 25.10 O ATOM 491 OE2 GLU A 55 -1.472 19.929 6.924 1.00 17.33 O ATOM 492 H GLU A 55 0.969 16.678 9.514 1.00 0.00 H ATOM 493 N GLU A 56 2.879 14.784 7.431 1.00 12.94 N ATOM 494 CA GLU A 56 3.937 14.039 6.756 1.00 12.67 C ATOM 495 C GLU A 56 4.346 12.716 7.384 1.00 14.23 C ATOM 496 O GLU A 56 4.882 11.842 6.686 1.00 14.07 O ATOM 497 CB GLU A 56 5.153 14.933 6.633 1.00 12.49 C ATOM 498 CG GLU A 56 4.947 16.097 5.682 1.00 14.14 C ATOM 499 CD GLU A 56 6.251 16.775 5.331 1.00 18.69 C ATOM 500 OE1 GLU A 56 7.198 16.698 6.145 1.00 14.72 O ATOM 501 OE2 GLU A 56 6.338 17.359 4.223 1.00 18.81 O ATOM 502 H GLU A 56 3.120 15.451 8.192 1.00 0.00 H ATOM 503 N SER A 57 4.153 12.566 8.707 1.00 13.33 N ATOM 504 CA SER A 57 4.583 11.370 9.413 1.00 13.51 C ATOM 505 C SER A 57 3.468 10.598 10.102 1.00 14.19 C ATOM 506 O SER A 57 3.702 9.469 10.525 1.00 14.47 O ATOM 507 CB SER A 57 5.629 11.725 10.464 1.00 14.00 C ATOM 508 OG SER A 57 5.028 12.228 11.651 1.00 11.93 O ATOM 509 HG SER A 57 4.510 13.044 11.437 1.00 0.00 H ATOM 510 H SER A 57 3.683 13.326 9.239 1.00 0.00 H ATOM 511 N GLY A 58 2.306 11.218 10.296 1.00 12.41 N ATOM 512 CA GLY A 58 1.182 10.604 11.007 1.00 13.45 C ATOM 513 C GLY A 58 1.287 10.732 12.516 1.00 15.63 C ATOM 514 O GLY A 58 0.404 10.251 13.231 1.00 15.67 O ATOM 515 H GLY A 58 2.191 12.183 9.926 1.00 0.00 H ATOM 516 N LEU A 59 2.367 11.338 13.025 1.00 13.04 N ATOM 517 CA LEU A 59 2.595 11.465 14.471 1.00 12.20 C ATOM 518 C LEU A 59 2.001 12.726 15.051 1.00 12.55 C ATOM 519 O LEU A 59 2.021 13.810 14.424 1.00 11.87 O ATOM 520 CB LEU A 59 4.093 11.443 14.782 1.00 11.91 C ATOM 521 CG LEU A 59 4.845 10.173 14.403 1.00 14.43 C ATOM 522 CD1 LEU A 59 6.301 10.342 14.800 1.00 16.03 C ATOM 523 CD2 LEU A 59 4.272 8.948 15.117 1.00 15.54 C ATOM 524 H LEU A 59 3.072 11.734 12.371 1.00 0.00 H ATOM 525 N THR A 60 1.503 12.595 16.282 1.00 11.43 N ATOM 526 CA THR A 60 1.004 13.705 17.075 1.00 10.72 C ATOM 527 C THR A 60 2.071 14.115 18.070 1.00 14.14 C ATOM 528 O THR A 60 2.496 13.294 18.888 1.00 13.62 O ATOM 529 CB THR A 60 -0.276 13.342 17.821 1.00 12.38 C ATOM 530 OG1 THR A 60 -1.279 12.926 16.891 1.00 13.08 O ATOM 531 CG2 THR A 60 -0.787 14.497 18.673 1.00 14.59 C ATOM 532 HG1 THR A 60 -2.106 12.692 17.382 1.00 0.00 H ATOM 533 H THR A 60 1.470 11.642 16.698 1.00 0.00 H ATOM 534 N VAL A 61 2.515 15.387 18.031 1.00 12.63 N ATOM 535 CA VAL A 61 3.451 15.898 19.046 1.00 13.54 C ATOM 536 C VAL A 61 2.667 16.840 19.978 1.00 20.47 C ATOM 537 O VAL A 61 1.863 17.646 19.502 1.00 20.87 O ATOM 538 CB VAL A 61 4.684 16.625 18.400 1.00 14.20 C ATOM 539 CG1 VAL A 61 4.267 17.788 17.506 1.00 14.20 C ATOM 540 CG2 VAL A 61 5.686 17.098 19.463 1.00 14.06 C ATOM 541 H VAL A 61 2.191 16.018 17.271 1.00 0.00 H ATOM 542 N ASP A 62 3.009 16.845 21.262 1.00 22.29 N ATOM 543 CA ASP A 62 2.460 17.838 22.167 1.00 23.90 C ATOM 544 C ASP A 62 3.582 18.887 22.273 1.00 27.71 C ATOM 545 O ASP A 62 3.627 19.796 21.439 1.00 28.53 O ATOM 546 CB ASP A 62 2.120 17.232 23.537 1.00 26.29 C ATOM 547 H ASP A 62 3.675 16.132 21.621 1.00 0.00 H ATOM 548 N ALA A 63 4.544 18.680 23.195 1.00 26.34 N ATOM 549 CA ALA A 63 5.659 19.591 23.458 1.00 24.62 C ATOM 550 C ALA A 63 6.689 19.612 22.330 1.00 22.50 C ATOM 551 O ALA A 63 7.221 18.572 21.970 1.00 23.63 O ATOM 552 CB ALA A 63 6.326 19.252 24.799 1.00 26.46 C ATOM 553 H ALA A 63 4.490 17.809 23.761 1.00 0.00 H ATOM 554 N LEU A 64 6.929 20.805 21.777 1.00 18.25 N ATOM 555 CA LEU A 64 7.946 21.015 20.738 1.00 15.84 C ATOM 556 C LEU A 64 8.969 21.943 21.329 1.00 19.17 C ATOM 557 O LEU A 64 8.618 22.878 22.060 1.00 21.35 O ATOM 558 CB LEU A 64 7.356 21.655 19.465 1.00 16.01 C ATOM 559 CG LEU A 64 6.730 20.693 18.459 1.00 18.59 C ATOM 560 CD1 LEU A 64 5.963 21.438 17.406 1.00 20.07 C ATOM 561 CD2 LEU A 64 7.781 19.782 17.802 1.00 16.34 C ATOM 562 H LEU A 64 6.370 21.622 22.097 1.00 0.00 H ATOM 563 N HIS A 65 10.235 21.664 21.085 1.00 11.75 N ATOM 564 CA HIS A 65 11.323 22.501 21.574 1.00 12.15 C ATOM 565 C HIS A 65 12.026 23.168 20.431 1.00 12.30 C ATOM 566 O HIS A 65 12.408 22.486 19.480 1.00 11.02 O ATOM 567 CB HIS A 65 12.282 21.662 22.422 1.00 14.58 C ATOM 568 CG HIS A 65 11.566 21.015 23.569 1.00 18.50 C ATOM 569 ND1 HIS A 65 11.078 21.772 24.623 1.00 21.10 N ATOM 570 CD2 HIS A 65 11.204 19.724 23.755 1.00 20.92 C ATOM 571 CE1 HIS A 65 10.462 20.919 25.426 1.00 21.40 C ATOM 572 NE2 HIS A 65 10.528 19.675 24.955 1.00 21.83 N ATOM 573 H HIS A 65 10.464 20.818 20.525 1.00 0.00 H ATOM 574 N LYS A 66 12.204 24.490 20.525 1.00 13.18 N ATOM 575 CA LYS A 66 12.916 25.220 19.473 1.00 12.50 C ATOM 576 C LYS A 66 14.371 24.846 19.528 1.00 12.64 C ATOM 577 O LYS A 66 14.982 24.890 20.616 1.00 14.98 O ATOM 578 CB LYS A 66 12.804 26.738 19.710 1.00 14.19 C ATOM 579 CG LYS A 66 11.428 27.280 19.462 1.00 18.46 C ATOM 580 CD LYS A 66 11.415 28.813 19.594 1.00 27.55 C ATOM 581 H LYS A 66 11.835 25.003 21.350 1.00 0.00 H ATOM 582 N VAL A 67 14.961 24.451 18.395 1.00 10.49 N ATOM 583 CA VAL A 67 16.371 24.140 18.404 1.00 12.14 C ATOM 584 C VAL A 67 17.191 24.963 17.416 1.00 10.49 C ATOM 585 O VAL A 67 18.384 25.119 17.641 1.00 10.95 O ATOM 586 CB VAL A 67 16.705 22.672 18.304 1.00 16.84 C ATOM 587 CG1 VAL A 67 16.092 21.908 19.468 1.00 18.79 C ATOM 588 CG2 VAL A 67 16.251 22.127 16.984 1.00 15.13 C ATOM 589 H VAL A 67 14.410 24.369 17.517 1.00 0.00 H ATOM 590 N GLY A 68 16.601 25.522 16.371 1.00 9.12 N ATOM 591 CA GLY A 68 17.410 26.315 15.467 1.00 9.32 C ATOM 592 C GLY A 68 16.612 27.144 14.506 1.00 10.13 C ATOM 593 O GLY A 68 15.388 26.966 14.359 1.00 8.83 O ATOM 594 H GLY A 68 15.583 25.395 16.203 1.00 0.00 H ATOM 595 N GLN A 69 17.334 28.023 13.823 1.00 8.27 N ATOM 596 CA GLN A 69 16.768 28.766 12.722 1.00 9.33 C ATOM 597 C GLN A 69 17.805 28.718 11.629 1.00 10.06 C ATOM 598 O GLN A 69 18.968 29.064 11.872 1.00 10.38 O ATOM 599 CB GLN A 69 16.450 30.201 13.131 1.00 12.14 C ATOM 600 CG GLN A 69 15.782 31.007 12.017 1.00 14.18 C ATOM 601 CD GLN A 69 15.408 32.398 12.485 1.00 22.34 C ATOM 602 OE1 GLN A 69 15.897 32.903 13.515 1.00 25.43 O ATOM 603 NE2 GLN A 69 14.635 33.108 11.675 1.00 17.35 N ATOM 604 HE22 GLN A 69 14.236 32.670 10.820 1.00 0.00 H ATOM 605 HE21 GLN A 69 14.428 34.103 11.894 1.00 0.00 H ATOM 606 H GLN A 69 18.328 28.180 14.086 1.00 0.00 H ATOM 607 N ILE A 70 17.422 28.283 10.450 1.00 8.84 N ATOM 608 CA ILE A 70 18.344 28.212 9.320 1.00 8.67 C ATOM 609 C ILE A 70 17.721 28.882 8.139 1.00 10.40 C ATOM 610 O ILE A 70 16.579 28.557 7.765 1.00 10.30 O ATOM 611 CB ILE A 70 18.714 26.756 8.935 1.00 11.90 C ATOM 612 CG1 ILE A 70 19.153 25.883 10.099 1.00 15.21 C ATOM 613 CG2 ILE A 70 19.770 26.744 7.849 1.00 13.14 C ATOM 614 CD1 ILE A 70 18.984 24.353 9.733 1.00 18.78 C ATOM 615 H ILE A 70 16.436 27.981 10.318 1.00 0.00 H ATOM 616 N VAL A 71 18.460 29.789 7.526 1.00 8.92 N ATOM 617 CA VAL A 71 18.014 30.428 6.314 1.00 9.19 C ATOM 618 C VAL A 71 18.705 29.794 5.135 1.00 9.57 C ATOM 619 O VAL A 71 19.941 29.649 5.146 1.00 10.56 O ATOM 620 CB VAL A 71 18.294 31.944 6.356 1.00 12.74 C ATOM 621 CG1 VAL A 71 17.918 32.603 5.031 1.00 12.62 C ATOM 622 CG2 VAL A 71 17.551 32.629 7.504 1.00 13.07 C ATOM 623 H VAL A 71 19.384 30.048 7.927 1.00 0.00 H ATOM 624 N PHE A 72 17.923 29.403 4.119 1.00 9.55 N ATOM 625 CA PHE A 72 18.478 28.869 2.877 1.00 8.77 C ATOM 626 C PHE A 72 18.290 29.832 1.734 1.00 9.98 C ATOM 627 O PHE A 72 17.177 30.314 1.495 1.00 9.63 O ATOM 628 CB PHE A 72 17.819 27.540 2.515 1.00 9.90 C ATOM 629 CG PHE A 72 18.081 26.485 3.537 1.00 9.85 C ATOM 630 CD1 PHE A 72 19.328 25.875 3.620 1.00 13.11 C ATOM 631 CD2 PHE A 72 17.092 26.092 4.417 1.00 14.03 C ATOM 632 CE1 PHE A 72 19.577 24.882 4.563 1.00 13.37 C ATOM 633 CE2 PHE A 72 17.337 25.089 5.360 1.00 14.23 C ATOM 634 CZ PHE A 72 18.586 24.514 5.437 1.00 11.28 C ATOM 635 H PHE A 72 16.891 29.482 4.217 1.00 0.00 H ATOM 636 N GLU A 73 19.366 30.070 1.021 1.00 8.51 N ATOM 637 CA GLU A 73 19.387 30.809 -0.210 1.00 8.86 C ATOM 638 C GLU A 73 19.760 29.857 -1.341 1.00 11.31 C ATOM 639 O GLU A 73 20.739 29.124 -1.216 1.00 10.50 O ATOM 640 CB GLU A 73 20.456 31.897 -0.134 1.00 9.88 C ATOM 641 CG GLU A 73 20.564 32.709 -1.408 1.00 11.48 C ATOM 642 CD GLU A 73 21.767 33.618 -1.439 1.00 13.86 C ATOM 643 OE1 GLU A 73 22.232 34.077 -0.372 1.00 16.73 O ATOM 644 OE2 GLU A 73 22.172 33.973 -2.562 1.00 13.60 O ATOM 645 H GLU A 73 20.270 29.696 1.374 1.00 0.00 H ATOM 646 N PHE A 74 19.004 29.891 -2.437 1.00 10.43 N ATOM 647 CA PHE A 74 19.351 29.185 -3.665 1.00 10.25 C ATOM 648 C PHE A 74 19.689 30.286 -4.644 1.00 13.02 C ATOM 649 O PHE A 74 18.813 31.098 -4.975 1.00 12.73 O ATOM 650 CB PHE A 74 18.205 28.298 -4.179 1.00 11.89 C ATOM 651 CG PHE A 74 17.985 27.120 -3.264 1.00 11.62 C ATOM 652 CD1 PHE A 74 17.143 27.216 -2.172 1.00 15.02 C ATOM 653 CD2 PHE A 74 18.691 25.933 -3.449 1.00 12.95 C ATOM 654 CE1 PHE A 74 16.984 26.129 -1.295 1.00 15.47 C ATOM 655 CE2 PHE A 74 18.526 24.853 -2.576 1.00 15.60 C ATOM 656 CZ PHE A 74 17.695 24.967 -1.501 1.00 14.76 C ATOM 657 H PHE A 74 18.125 30.447 -2.416 1.00 0.00 H ATOM 658 N VAL A 75 20.918 30.316 -5.151 1.00 11.75 N ATOM 659 CA VAL A 75 21.300 31.368 -6.096 1.00 13.01 C ATOM 660 C VAL A 75 20.377 31.349 -7.333 1.00 16.05 C ATOM 661 O VAL A 75 20.004 30.285 -7.797 1.00 16.77 O ATOM 662 CB VAL A 75 22.815 31.343 -6.467 1.00 17.09 C ATOM 663 CG1 VAL A 75 23.680 31.569 -5.249 1.00 15.87 C ATOM 664 CG2 VAL A 75 23.238 30.070 -7.208 1.00 18.26 C ATOM 665 H VAL A 75 21.610 29.590 -4.876 1.00 0.00 H ATOM 666 N GLY A 76 19.848 32.504 -7.712 1.00 16.06 N ATOM 667 CA GLY A 76 18.921 32.551 -8.838 1.00 16.53 C ATOM 668 C GLY A 76 17.458 32.459 -8.491 1.00 19.29 C ATOM 669 O GLY A 76 16.608 32.638 -9.379 1.00 20.45 O ATOM 670 H GLY A 76 20.094 33.378 -7.206 1.00 0.00 H ATOM 671 N GLU A 77 17.152 32.211 -7.196 1.00 14.42 N ATOM 672 CA GLU A 77 15.809 32.138 -6.664 1.00 14.04 C ATOM 673 C GLU A 77 15.640 33.319 -5.684 1.00 14.22 C ATOM 674 O GLU A 77 16.398 33.483 -4.730 1.00 12.77 O ATOM 675 CB GLU A 77 15.576 30.818 -5.947 1.00 15.12 C ATOM 676 H GLU A 77 17.941 32.062 -6.535 1.00 0.00 H ATOM 677 N PRO A 78 14.643 34.184 -5.919 1.00 12.44 N ATOM 678 CA PRO A 78 14.489 35.364 -5.043 1.00 11.98 C ATOM 679 C PRO A 78 14.126 35.083 -3.607 1.00 11.75 C ATOM 680 O PRO A 78 14.571 35.818 -2.715 1.00 12.71 O ATOM 681 CB PRO A 78 13.392 36.179 -5.725 1.00 14.40 C ATOM 682 CG PRO A 78 12.643 35.193 -6.570 1.00 20.31 C ATOM 683 CD PRO A 78 13.679 34.210 -7.049 1.00 15.08 C ATOM 684 N GLU A 79 13.310 34.060 -3.371 1.00 11.67 N ATOM 685 CA GLU A 79 12.841 33.828 -2.033 1.00 12.63 C ATOM 686 C GLU A 79 13.792 33.027 -1.162 1.00 12.96 C ATOM 687 O GLU A 79 14.204 31.932 -1.538 1.00 12.51 O ATOM 688 CB GLU A 79 11.470 33.145 -2.062 1.00 16.91 C ATOM 689 H GLU A 79 13.014 33.434 -4.147 1.00 0.00 H ATOM 690 N LEU A 80 14.099 33.550 0.014 1.00 11.00 N ATOM 691 CA LEU A 80 14.875 32.793 1.002 1.00 9.99 C ATOM 692 C LEU A 80 13.930 31.893 1.792 1.00 12.32 C ATOM 693 O LEU A 80 12.777 32.268 2.012 1.00 12.35 O ATOM 694 CB LEU A 80 15.559 33.732 1.987 1.00 10.15 C ATOM 695 CG LEU A 80 16.545 34.731 1.380 1.00 11.68 C ATOM 696 CD1 LEU A 80 17.097 35.660 2.441 1.00 12.77 C ATOM 697 CD2 LEU A 80 17.679 34.048 0.613 1.00 11.88 C ATOM 698 H LEU A 80 13.785 34.515 0.242 1.00 0.00 H ATOM 699 N MET A 81 14.413 30.763 2.269 1.00 9.56 N ATOM 700 CA MET A 81 13.592 29.892 3.120 1.00 8.91 C ATOM 701 C MET A 81 14.043 30.158 4.535 1.00 10.33 C ATOM 702 O MET A 81 15.227 29.956 4.852 1.00 11.69 O ATOM 703 CB MET A 81 13.844 28.416 2.804 1.00 10.54 C ATOM 704 CG MET A 81 13.485 28.032 1.396 1.00 12.01 C ATOM 705 SD MET A 81 13.877 26.308 1.007 1.00 14.66 S ATOM 706 CE MET A 81 12.866 25.396 2.221 1.00 15.54 C ATOM 707 H MET A 81 15.388 30.485 2.040 1.00 0.00 H ATOM 708 N ASP A 82 13.140 30.589 5.403 1.00 9.06 N ATOM 709 CA ASP A 82 13.443 30.843 6.797 1.00 9.12 C ATOM 710 C ASP A 82 12.918 29.652 7.596 1.00 9.14 C ATOM 711 O ASP A 82 11.709 29.565 7.863 1.00 9.06 O ATOM 712 CB ASP A 82 12.774 32.158 7.254 1.00 10.41 C ATOM 713 CG ASP A 82 12.942 32.445 8.733 1.00 14.60 C ATOM 714 OD1 ASP A 82 13.839 31.865 9.345 1.00 15.08 O ATOM 715 OD2 ASP A 82 12.141 33.255 9.286 1.00 16.73 O ATOM 716 H ASP A 82 12.169 30.753 5.069 1.00 0.00 H ATOM 717 N VAL A 83 13.796 28.722 7.896 1.00 8.31 N ATOM 718 CA VAL A 83 13.383 27.437 8.471 1.00 8.13 C ATOM 719 C VAL A 83 13.524 27.405 9.968 1.00 8.73 C ATOM 720 O VAL A 83 14.625 27.592 10.497 1.00 8.76 O ATOM 721 CB VAL A 83 14.153 26.275 7.801 1.00 9.81 C ATOM 722 CG1 VAL A 83 13.681 24.939 8.340 1.00 11.17 C ATOM 723 CG2 VAL A 83 14.029 26.314 6.263 1.00 10.00 C ATOM 724 H VAL A 83 14.806 28.901 7.722 1.00 0.00 H ATOM 725 N HIS A 84 12.424 27.176 10.652 1.00 8.89 N ATOM 726 CA HIS A 84 12.410 27.104 12.112 1.00 8.72 C ATOM 727 C HIS A 84 12.421 25.649 12.495 1.00 9.55 C ATOM 728 O HIS A 84 11.503 24.892 12.134 1.00 9.01 O ATOM 729 CB HIS A 84 11.167 27.827 12.645 1.00 9.34 C ATOM 730 CG HIS A 84 11.252 29.306 12.410 1.00 10.42 C ATOM 731 ND1 HIS A 84 11.450 30.187 13.446 1.00 13.86 N ATOM 732 CD2 HIS A 84 11.299 30.003 11.242 1.00 12.17 C ATOM 733 CE1 HIS A 84 11.567 31.386 12.893 1.00 13.73 C ATOM 734 NE2 HIS A 84 11.499 31.330 11.576 1.00 13.93 N ATOM 735 H HIS A 84 11.532 27.041 10.135 1.00 0.00 H ATOM 736 N VAL A 85 13.512 25.218 13.134 1.00 8.30 N ATOM 737 CA VAL A 85 13.761 23.833 13.464 1.00 7.98 C ATOM 738 C VAL A 85 13.375 23.528 14.875 1.00 8.54 C ATOM 739 O VAL A 85 13.688 24.284 15.801 1.00 8.84 O ATOM 740 CB VAL A 85 15.239 23.493 13.220 1.00 8.99 C ATOM 741 CG1 VAL A 85 15.484 21.991 13.348 1.00 10.06 C ATOM 742 CG2 VAL A 85 15.722 23.995 11.846 1.00 9.18 C ATOM 743 H VAL A 85 14.226 25.922 13.411 1.00 0.00 H ATOM 744 N PHE A 86 12.681 22.398 15.059 1.00 7.85 N ATOM 745 CA PHE A 86 12.223 21.958 16.368 1.00 8.12 C ATOM 746 C PHE A 86 12.559 20.531 16.610 1.00 9.76 C ATOM 747 O PHE A 86 12.743 19.753 15.646 1.00 9.10 O ATOM 748 CB PHE A 86 10.678 22.051 16.466 1.00 9.57 C ATOM 749 CG PHE A 86 10.100 23.419 16.319 1.00 9.95 C ATOM 750 CD1 PHE A 86 9.848 23.950 15.064 1.00 10.62 C ATOM 751 CD2 PHE A 86 9.736 24.165 17.436 1.00 11.06 C ATOM 752 CE1 PHE A 86 9.340 25.249 14.920 1.00 11.30 C ATOM 753 CE2 PHE A 86 9.183 25.452 17.288 1.00 13.06 C ATOM 754 CZ PHE A 86 8.980 25.976 16.028 1.00 12.24 C ATOM 755 H PHE A 86 12.460 21.809 14.231 1.00 0.00 H ATOM 756 N CYS A 87 12.629 20.157 17.897 1.00 11.36 N ATOM 757 CA CYS A 87 12.913 18.806 18.355 1.00 13.46 C ATOM 758 C CYS A 87 11.849 18.330 19.343 1.00 14.57 C ATOM 759 O CYS A 87 11.350 19.134 20.134 1.00 13.42 O ATOM 760 CB CYS A 87 14.300 18.759 18.983 1.00 15.98 C ATOM 761 SG CYS A 87 15.051 17.118 18.996 1.00 20.84 S ATOM 762 H CYS A 87 12.468 20.887 18.620 1.00 0.00 H ATOM 763 N THR A 88 11.531 17.016 19.324 1.00 11.64 N ATOM 764 CA THR A 88 10.625 16.402 20.286 1.00 12.26 C ATOM 765 C THR A 88 11.140 14.998 20.586 1.00 14.62 C ATOM 766 O THR A 88 11.691 14.334 19.696 1.00 13.52 O ATOM 767 CB THR A 88 9.171 16.401 19.840 1.00 14.67 C ATOM 768 OG1 THR A 88 8.392 15.873 20.911 1.00 18.70 O ATOM 769 CG2 THR A 88 8.938 15.589 18.571 1.00 15.75 C ATOM 770 HG1 THR A 88 8.507 16.442 21.713 1.00 0.00 H ATOM 771 H THR A 88 11.953 16.415 18.588 1.00 0.00 H ATOM 772 N ASP A 89 10.925 14.518 21.831 1.00 15.90 N ATOM 773 CA ASP A 89 11.256 13.134 22.132 1.00 18.45 C ATOM 774 C ASP A 89 9.949 12.419 22.471 1.00 27.56 C ATOM 775 O ASP A 89 9.943 11.183 22.601 1.00 31.08 O ATOM 776 CB ASP A 89 12.287 13.037 23.284 1.00 20.42 C ATOM 777 CG ASP A 89 11.900 13.605 24.647 1.00 26.23 C ATOM 778 OD1 ASP A 89 10.741 14.051 24.811 1.00 25.44 O ATOM 779 OD2 ASP A 89 12.754 13.583 25.564 1.00 30.43 O ATOM 780 H ASP A 89 10.526 15.134 22.568 1.00 0.00 H ATOM 781 N SER A 90 8.851 13.219 22.638 1.00 23.82 N ATOM 782 CA SER A 90 7.502 12.809 23.077 1.00 24.35 C ATOM 783 C SER A 90 6.440 12.919 21.982 1.00 24.76 C ATOM 784 O SER A 90 5.916 14.003 21.675 1.00 24.32 O ATOM 785 CB SER A 90 7.076 13.597 24.314 1.00 30.59 C ATOM 786 OG SER A 90 5.814 13.155 24.790 1.00 42.95 O ATOM 787 HG SER A 90 5.562 13.681 25.590 1.00 0.00 H ATOM 788 H SER A 90 8.982 14.230 22.432 1.00 0.00 H ATOM 789 N ILE A 91 6.092 11.762 21.437 1.00 19.39 N ATOM 790 CA ILE A 91 5.135 11.658 20.355 1.00 17.59 C ATOM 791 C ILE A 91 4.082 10.606 20.661 1.00 17.07 C ATOM 792 O ILE A 91 4.279 9.766 21.553 1.00 18.05 O ATOM 793 CB ILE A 91 5.886 11.350 19.027 1.00 20.21 C ATOM 794 CG1 ILE A 91 6.885 10.179 19.177 1.00 22.17 C ATOM 795 CG2 ILE A 91 6.598 12.605 18.481 1.00 20.77 C ATOM 796 CD1 ILE A 91 6.390 8.840 18.670 1.00 33.10 C ATOM 797 H ILE A 91 6.525 10.890 21.803 1.00 0.00 H ATOM 798 N GLN A 92 2.970 10.666 19.931 1.00 14.27 N ATOM 799 CA GLN A 92 1.905 9.687 19.961 1.00 13.23 C ATOM 800 C GLN A 92 1.623 9.244 18.559 1.00 15.32 C ATOM 801 O GLN A 92 1.730 10.036 17.624 1.00 14.82 O ATOM 802 CB GLN A 92 0.633 10.261 20.602 1.00 14.23 C ATOM 803 CG GLN A 92 0.807 10.501 22.092 1.00 15.59 C ATOM 804 CD GLN A 92 -0.391 11.177 22.677 1.00 24.02 C ATOM 805 OE1 GLN A 92 -1.222 10.542 23.316 1.00 25.95 O ATOM 806 NE2 GLN A 92 -0.489 12.475 22.480 1.00 18.07 N ATOM 807 HE22 GLN A 92 0.240 12.974 21.931 1.00 0.00 H ATOM 808 HE21 GLN A 92 -1.295 13.001 22.873 1.00 0.00 H ATOM 809 H GLN A 92 2.859 11.478 19.291 1.00 0.00 H ATOM 810 N GLY A 93 1.228 7.988 18.426 1.00 15.91 N ATOM 811 CA GLY A 93 0.972 7.361 17.147 1.00 15.31 C ATOM 812 C GLY A 93 2.191 6.605 16.655 1.00 17.81 C ATOM 813 O GLY A 93 3.242 6.602 17.301 1.00 18.51 O ATOM 814 H GLY A 93 1.094 7.421 19.287 1.00 0.00 H ATOM 815 N THR A 94 2.046 5.975 15.500 1.00 16.73 N ATOM 816 CA THR A 94 3.130 5.237 14.852 1.00 16.88 C ATOM 817 C THR A 94 3.345 5.907 13.507 1.00 16.60 C ATOM 818 O THR A 94 2.389 6.395 12.918 1.00 15.73 O ATOM 819 CB THR A 94 2.798 3.721 14.748 1.00 26.04 C ATOM 820 OG1 THR A 94 3.838 3.028 14.047 1.00 36.19 O ATOM 821 CG2 THR A 94 1.500 3.456 14.075 1.00 25.58 C ATOM 822 HG1 THR A 94 3.611 2.066 13.990 1.00 0.00 H ATOM 823 H THR A 94 1.118 6.006 15.031 1.00 0.00 H ATOM 824 N PRO A 95 4.592 5.939 13.014 1.00 12.76 N ATOM 825 CA PRO A 95 4.861 6.611 11.740 1.00 12.75 C ATOM 826 C PRO A 95 4.082 5.970 10.596 1.00 16.10 C ATOM 827 O PRO A 95 4.003 4.743 10.520 1.00 17.88 O ATOM 828 CB PRO A 95 6.363 6.400 11.538 1.00 13.72 C ATOM 829 CG PRO A 95 6.908 6.219 12.926 1.00 16.71 C ATOM 830 CD PRO A 95 5.840 5.442 13.631 1.00 13.82 C ATOM 831 N VAL A 96 3.496 6.799 9.718 1.00 13.62 N ATOM 832 CA VAL A 96 2.661 6.346 8.604 1.00 14.04 C ATOM 833 C VAL A 96 3.376 6.603 7.297 1.00 13.98 C ATOM 834 O VAL A 96 3.805 7.720 7.083 1.00 13.13 O ATOM 835 CB VAL A 96 1.316 7.140 8.643 1.00 18.27 C ATOM 836 CG1 VAL A 96 0.520 6.956 7.352 1.00 19.02 C ATOM 837 CG2 VAL A 96 0.486 6.754 9.858 1.00 19.29 C ATOM 838 H VAL A 96 3.644 7.822 9.836 1.00 0.00 H ATOM 839 N GLU A 97 3.479 5.598 6.411 1.00 11.12 N ATOM 840 CA GLU A 97 3.984 5.823 5.065 1.00 11.33 C ATOM 841 C GLU A 97 2.817 6.224 4.198 1.00 11.83 C ATOM 842 O GLU A 97 1.745 5.605 4.232 1.00 12.35 O ATOM 843 CB GLU A 97 4.678 4.591 4.457 1.00 12.63 C ATOM 844 CG GLU A 97 5.113 4.799 3.006 1.00 15.48 C ATOM 845 CD GLU A 97 5.946 3.694 2.397 1.00 15.62 C ATOM 846 OE1 GLU A 97 6.116 2.659 3.063 1.00 16.04 O ATOM 847 OE2 GLU A 97 6.470 3.886 1.282 1.00 16.56 O ATOM 848 H GLU A 97 3.192 4.639 6.693 1.00 0.00 H ATOM 849 N SER A 98 3.019 7.238 3.383 1.00 10.97 N ATOM 850 CA SER A 98 2.013 7.721 2.476 1.00 10.66 C ATOM 851 C SER A 98 2.603 7.867 1.093 1.00 13.13 C ATOM 852 O SER A 98 3.819 7.672 0.924 1.00 12.92 O ATOM 853 CB SER A 98 1.480 9.063 2.969 1.00 12.48 C ATOM 854 OG SER A 98 2.509 10.034 2.901 1.00 14.52 O ATOM 855 HG SER A 98 3.267 9.750 3.471 1.00 0.00 H ATOM 856 H SER A 98 3.946 7.710 3.396 1.00 0.00 H ATOM 857 N ASP A 99 1.793 8.349 0.140 1.00 12.57 N ATOM 858 CA ASP A 99 2.228 8.657 -1.223 1.00 14.59 C ATOM 859 C ASP A 99 3.311 9.752 -1.212 1.00 16.41 C ATOM 860 O ASP A 99 4.045 9.888 -2.196 1.00 19.35 O ATOM 861 CB ASP A 99 1.019 9.147 -2.069 1.00 16.43 C ATOM 862 CG ASP A 99 0.354 10.453 -1.609 1.00 16.81 C ATOM 863 OD1 ASP A 99 0.346 10.731 -0.404 1.00 15.32 O ATOM 864 OD2 ASP A 99 -0.194 11.174 -2.467 1.00 21.53 O ATOM 865 H ASP A 99 0.796 8.514 0.384 1.00 0.00 H ATOM 866 N GLU A 100 3.410 10.537 -0.150 1.00 13.19 N ATOM 867 CA GLU A 100 4.378 11.631 -0.139 1.00 13.95 C ATOM 868 C GLU A 100 5.629 11.351 0.652 1.00 13.11 C ATOM 869 O GLU A 100 6.624 12.068 0.496 1.00 14.98 O ATOM 870 CB GLU A 100 3.727 12.884 0.445 1.00 16.01 C ATOM 871 H GLU A 100 2.799 10.375 0.676 1.00 0.00 H ATOM 872 N MET A 101 5.587 10.395 1.585 1.00 11.26 N ATOM 873 CA MET A 101 6.678 10.278 2.537 1.00 11.10 C ATOM 874 C MET A 101 6.798 8.867 3.065 1.00 11.39 C ATOM 875 O MET A 101 5.781 8.277 3.404 1.00 11.77 O ATOM 876 CB MET A 101 6.336 11.251 3.697 1.00 12.94 C ATOM 877 CG MET A 101 7.471 11.492 4.679 1.00 13.90 C ATOM 878 SD MET A 101 8.867 12.433 3.974 1.00 13.08 S ATOM 879 CE MET A 101 8.147 14.098 3.900 1.00 15.08 C ATOM 880 H MET A 101 4.780 9.740 1.629 1.00 0.00 H ATOM 881 N ARG A 102 8.045 8.366 3.239 1.00 10.16 N ATOM 882 CA ARG A 102 8.311 7.049 3.805 1.00 10.82 C ATOM 883 C ARG A 102 9.149 7.251 5.092 1.00 10.71 C ATOM 884 O ARG A 102 10.377 7.400 4.988 1.00 10.67 O ATOM 885 CB ARG A 102 9.025 6.167 2.785 1.00 12.65 C ATOM 886 CG ARG A 102 9.429 4.778 3.317 1.00 14.97 C ATOM 887 CD ARG A 102 9.856 3.821 2.223 1.00 15.13 C ATOM 888 NE ARG A 102 10.926 4.353 1.377 1.00 17.18 N ATOM 889 CZ ARG A 102 12.228 4.135 1.508 1.00 22.97 C ATOM 890 NH1 ARG A 102 12.687 3.362 2.484 1.00 15.97 N ATOM 891 NH2 ARG A 102 13.082 4.663 0.644 1.00 26.95 N ATOM 892 HE ARG A 102 10.634 4.967 0.590 1.00 0.00 H ATOM 893 HH12 ARG A 102 13.709 3.197 2.579 1.00 0.00 H ATOM 894 HH11 ARG A 102 12.024 2.922 3.154 1.00 0.00 H ATOM 895 HH22 ARG A 102 14.102 4.490 0.749 1.00 0.00 H ATOM 896 HH21 ARG A 102 12.732 5.250 -0.140 1.00 0.00 H ATOM 897 H ARG A 102 8.855 8.952 2.954 1.00 0.00 H ATOM 898 N PRO A 103 8.523 7.476 6.293 1.00 9.24 N ATOM 899 CA PRO A 103 9.328 7.656 7.513 1.00 9.46 C ATOM 900 C PRO A 103 9.983 6.361 7.981 1.00 11.23 C ATOM 901 O PRO A 103 9.388 5.287 7.860 1.00 11.03 O ATOM 902 CB PRO A 103 8.315 8.115 8.569 1.00 10.74 C ATOM 903 CG PRO A 103 7.021 8.263 7.876 1.00 13.15 C ATOM 904 CD PRO A 103 7.082 7.502 6.604 1.00 8.70 C ATOM 905 N CYS A 104 11.190 6.478 8.572 1.00 10.16 N ATOM 906 CA CYS A 104 11.936 5.341 9.115 1.00 10.36 C ATOM 907 C CYS A 104 12.813 5.828 10.268 1.00 10.98 C ATOM 908 O CYS A 104 13.250 6.984 10.264 1.00 9.76 O ATOM 909 CB CYS A 104 12.779 4.694 8.028 1.00 10.68 C ATOM 910 SG CYS A 104 13.500 3.104 8.493 1.00 14.82 S ATOM 911 H CYS A 104 11.613 7.425 8.646 1.00 0.00 H ATOM 912 N TRP A 105 13.090 4.932 11.239 1.00 11.27 N ATOM 913 CA TRP A 105 13.924 5.267 12.396 1.00 11.40 C ATOM 914 C TRP A 105 15.351 4.945 12.025 1.00 14.07 C ATOM 915 O TRP A 105 15.608 3.926 11.362 1.00 16.71 O ATOM 916 CB TRP A 105 13.531 4.414 13.618 1.00 11.95 C ATOM 917 CG TRP A 105 12.231 4.781 14.233 1.00 12.18 C ATOM 918 CD1 TRP A 105 11.051 4.112 14.120 1.00 14.89 C ATOM 919 CD2 TRP A 105 11.967 5.924 15.042 1.00 12.10 C ATOM 920 NE1 TRP A 105 10.076 4.740 14.858 1.00 13.81 N ATOM 921 CE2 TRP A 105 10.616 5.859 15.437 1.00 14.76 C ATOM 922 CE3 TRP A 105 12.765 6.972 15.528 1.00 13.22 C ATOM 923 CZ2 TRP A 105 10.039 6.818 16.284 1.00 14.79 C ATOM 924 CZ3 TRP A 105 12.205 7.895 16.394 1.00 13.99 C ATOM 925 CH2 TRP A 105 10.865 7.811 16.772 1.00 14.66 C ATOM 926 HE1 TRP A 105 9.092 4.419 14.960 1.00 0.00 H ATOM 927 H TRP A 105 12.698 3.972 11.163 1.00 0.00 H ATOM 928 N PHE A 106 16.272 5.755 12.505 1.00 12.47 N ATOM 929 CA PHE A 106 17.696 5.541 12.328 1.00 12.61 C ATOM 930 C PHE A 106 18.423 5.604 13.645 1.00 15.29 C ATOM 931 O PHE A 106 18.235 6.549 14.403 1.00 15.18 O ATOM 932 CB PHE A 106 18.299 6.633 11.429 1.00 13.34 C ATOM 933 CG PHE A 106 17.831 6.551 9.997 1.00 12.29 C ATOM 934 CD1 PHE A 106 16.651 7.171 9.597 1.00 13.55 C ATOM 935 CD2 PHE A 106 18.566 5.853 9.051 1.00 13.89 C ATOM 936 CE1 PHE A 106 16.195 7.050 8.291 1.00 13.21 C ATOM 937 CE2 PHE A 106 18.115 5.757 7.733 1.00 14.47 C ATOM 938 CZ PHE A 106 16.937 6.361 7.364 1.00 12.73 C ATOM 939 H PHE A 106 15.962 6.592 13.039 1.00 0.00 H ATOM 940 N GLN A 107 19.318 4.641 13.900 1.00 13.62 N ATOM 941 CA GLN A 107 20.217 4.742 15.045 1.00 13.76 C ATOM 942 C GLN A 107 21.106 5.971 14.783 1.00 16.42 C ATOM 943 O GLN A 107 21.411 6.295 13.631 1.00 15.93 O ATOM 944 CB GLN A 107 21.119 3.493 15.115 1.00 15.50 C ATOM 945 H GLN A 107 19.373 3.812 13.275 1.00 0.00 H ATOM 946 N LEU A 108 21.531 6.644 15.852 1.00 15.26 N ATOM 947 CA LEU A 108 22.275 7.895 15.739 1.00 16.53 C ATOM 948 C LEU A 108 23.614 7.779 15.015 1.00 22.14 C ATOM 949 O LEU A 108 24.008 8.721 14.326 1.00 24.08 O ATOM 950 CB LEU A 108 22.433 8.546 17.112 1.00 17.39 C ATOM 951 CG LEU A 108 21.115 8.835 17.846 1.00 21.09 C ATOM 952 CD1 LEU A 108 21.383 9.564 19.143 1.00 22.22 C ATOM 953 CD2 LEU A 108 20.136 9.648 16.970 1.00 19.29 C ATOM 954 H LEU A 108 21.326 6.265 16.799 1.00 0.00 H ATOM 955 N ASP A 109 24.242 6.606 15.063 1.00 20.15 N ATOM 956 CA ASP A 109 25.498 6.358 14.358 1.00 21.18 C ATOM 957 C ASP A 109 25.298 5.882 12.907 1.00 24.85 C ATOM 958 O ASP A 109 26.290 5.624 12.213 1.00 27.16 O ATOM 959 CB ASP A 109 26.385 5.381 15.156 1.00 23.14 C ATOM 960 CG ASP A 109 25.755 4.044 15.542 1.00 36.57 C ATOM 961 OD1 ASP A 109 24.558 3.819 15.213 1.00 36.98 O ATOM 962 OD2 ASP A 109 26.459 3.214 16.159 1.00 46.59 O ATOM 963 H ASP A 109 23.823 5.837 15.624 1.00 0.00 H ATOM 964 N GLN A 110 24.023 5.804 12.433 1.00 18.19 N ATOM 965 CA GLN A 110 23.696 5.373 11.069 1.00 17.28 C ATOM 966 C GLN A 110 22.862 6.423 10.324 1.00 16.81 C ATOM 967 O GLN A 110 22.146 6.086 9.384 1.00 17.23 O ATOM 968 CB GLN A 110 22.963 4.025 11.091 1.00 19.49 C ATOM 969 CG GLN A 110 23.918 2.835 11.272 1.00 31.77 C ATOM 970 CD GLN A 110 23.267 1.559 11.752 1.00 51.03 C ATOM 971 OE1 GLN A 110 22.075 1.297 11.545 1.00 46.06 O ATOM 972 NE2 GLN A 110 24.059 0.707 12.374 1.00 45.24 N ATOM 973 HE22 GLN A 110 25.057 0.949 12.537 1.00 0.00 H ATOM 974 HE21 GLN A 110 23.685 -0.207 12.702 1.00 0.00 H ATOM 975 H GLN A 110 23.243 6.063 13.070 1.00 0.00 H ATOM 976 N ILE A 111 22.972 7.694 10.721 1.00 14.19 N ATOM 977 CA ILE A 111 22.222 8.753 10.050 1.00 12.80 C ATOM 978 C ILE A 111 22.717 8.858 8.599 1.00 13.68 C ATOM 979 O ILE A 111 23.925 8.899 8.378 1.00 14.17 O ATOM 980 CB ILE A 111 22.283 10.058 10.850 1.00 14.42 C ATOM 981 CG1 ILE A 111 21.482 9.856 12.155 1.00 15.36 C ATOM 982 CG2 ILE A 111 21.701 11.197 10.030 1.00 14.28 C ATOM 983 CD1 ILE A 111 21.634 10.932 13.218 1.00 18.93 C ATOM 984 H ILE A 111 23.598 7.932 11.516 1.00 0.00 H ATOM 985 N PRO A 112 21.810 8.803 7.605 1.00 12.34 N ATOM 986 CA PRO A 112 22.235 8.654 6.206 1.00 12.73 C ATOM 987 C PRO A 112 22.599 9.978 5.548 1.00 13.67 C ATOM 988 O PRO A 112 21.983 10.387 4.568 1.00 12.48 O ATOM 989 CB PRO A 112 21.016 7.992 5.558 1.00 13.92 C ATOM 990 CG PRO A 112 19.854 8.549 6.338 1.00 16.52 C ATOM 991 CD PRO A 112 20.346 8.668 7.750 1.00 12.67 C ATOM 992 N PHE A 113 23.644 10.611 6.060 1.00 13.20 N ATOM 993 CA PHE A 113 24.043 11.931 5.569 1.00 12.65 C ATOM 994 C PHE A 113 24.231 12.042 4.056 1.00 13.67 C ATOM 995 O PHE A 113 23.900 13.082 3.487 1.00 14.07 O ATOM 996 CB PHE A 113 25.310 12.417 6.281 1.00 13.45 C ATOM 997 CG PHE A 113 25.040 12.783 7.721 1.00 13.61 C ATOM 998 CD1 PHE A 113 24.228 13.872 8.038 1.00 14.63 C ATOM 999 CD2 PHE A 113 25.557 12.015 8.760 1.00 14.90 C ATOM 1000 CE1 PHE A 113 23.954 14.194 9.371 1.00 15.83 C ATOM 1001 CE2 PHE A 113 25.312 12.355 10.093 1.00 17.51 C ATOM 1002 CZ PHE A 113 24.497 13.434 10.388 1.00 15.85 C ATOM 1003 H PHE A 113 24.190 10.163 6.823 1.00 0.00 H ATOM 1004 N LYS A 114 24.730 10.980 3.400 1.00 13.53 N ATOM 1005 CA LYS A 114 24.951 11.005 1.946 1.00 15.14 C ATOM 1006 C LYS A 114 23.647 11.147 1.175 1.00 16.26 C ATOM 1007 O LYS A 114 23.631 11.635 0.043 1.00 16.12 O ATOM 1008 CB LYS A 114 25.682 9.741 1.484 1.00 18.71 C ATOM 1009 H LYS A 114 24.966 10.119 3.934 1.00 0.00 H ATOM 1010 N ASP A 115 22.521 10.760 1.822 1.00 12.95 N ATOM 1011 CA ASP A 115 21.208 10.805 1.201 1.00 12.28 C ATOM 1012 C ASP A 115 20.297 11.837 1.860 1.00 12.26 C ATOM 1013 O ASP A 115 19.072 11.693 1.841 1.00 12.18 O ATOM 1014 CB ASP A 115 20.569 9.394 1.234 1.00 14.02 C ATOM 1015 CG ASP A 115 21.281 8.390 0.358 1.00 23.20 C ATOM 1016 OD1 ASP A 115 21.566 8.722 -0.806 1.00 26.31 O ATOM 1017 OD2 ASP A 115 21.508 7.261 0.825 1.00 25.68 O ATOM 1018 H ASP A 115 22.600 10.418 2.801 1.00 0.00 H ATOM 1019 N MET A 116 20.901 12.870 2.463 1.00 10.83 N ATOM 1020 CA MET A 116 20.218 13.995 3.085 1.00 9.91 C ATOM 1021 C MET A 116 20.687 15.281 2.437 1.00 10.94 C ATOM 1022 O MET A 116 21.712 15.304 1.752 1.00 12.73 O ATOM 1023 CB MET A 116 20.546 14.004 4.568 1.00 10.56 C ATOM 1024 CG MET A 116 19.867 12.876 5.313 1.00 12.04 C ATOM 1025 SD MET A 116 20.555 12.458 6.912 1.00 12.50 S ATOM 1026 CE MET A 116 19.809 13.726 7.911 1.00 12.46 C ATOM 1027 H MET A 116 21.941 12.868 2.489 1.00 0.00 H ATOM 1028 N TRP A 117 19.997 16.384 2.702 1.00 9.72 N ATOM 1029 CA TRP A 117 20.460 17.673 2.216 1.00 10.65 C ATOM 1030 C TRP A 117 21.869 17.909 2.797 1.00 10.28 C ATOM 1031 O TRP A 117 22.102 17.591 3.964 1.00 10.09 O ATOM 1032 CB TRP A 117 19.494 18.755 2.681 1.00 10.17 C ATOM 1033 CG TRP A 117 18.255 18.829 1.835 1.00 10.34 C ATOM 1034 CD1 TRP A 117 17.061 18.218 2.062 1.00 12.34 C ATOM 1035 CD2 TRP A 117 18.090 19.603 0.638 1.00 10.43 C ATOM 1036 NE1 TRP A 117 16.168 18.543 1.062 1.00 11.86 N ATOM 1037 CE2 TRP A 117 16.781 19.371 0.164 1.00 13.23 C ATOM 1038 CE3 TRP A 117 18.934 20.445 -0.101 1.00 12.89 C ATOM 1039 CZ2 TRP A 117 16.272 20.013 -0.970 1.00 12.92 C ATOM 1040 CZ3 TRP A 117 18.443 21.050 -1.243 1.00 14.02 C ATOM 1041 CH2 TRP A 117 17.137 20.812 -1.686 1.00 14.26 C ATOM 1042 HE1 TRP A 117 15.184 18.211 1.001 1.00 0.00 H ATOM 1043 H TRP A 117 19.121 16.325 3.260 1.00 0.00 H ATOM 1044 N PRO A 118 22.791 18.505 2.020 1.00 10.34 N ATOM 1045 CA PRO A 118 24.178 18.631 2.506 1.00 10.67 C ATOM 1046 C PRO A 118 24.341 19.467 3.763 1.00 11.22 C ATOM 1047 O PRO A 118 25.268 19.222 4.534 1.00 10.74 O ATOM 1048 CB PRO A 118 24.951 19.214 1.327 1.00 14.13 C ATOM 1049 CG PRO A 118 24.029 19.285 0.207 1.00 17.01 C ATOM 1050 CD PRO A 118 22.654 18.865 0.594 1.00 11.27 C ATOM 1051 N ASP A 119 23.454 20.419 3.997 1.00 9.74 N ATOM 1052 CA ASP A 119 23.565 21.238 5.194 1.00 9.86 C ATOM 1053 C ASP A 119 23.419 20.413 6.469 1.00 10.35 C ATOM 1054 O ASP A 119 23.943 20.799 7.514 1.00 9.63 O ATOM 1055 CB ASP A 119 22.529 22.355 5.177 1.00 9.93 C ATOM 1056 CG ASP A 119 21.129 21.863 4.895 1.00 10.69 C ATOM 1057 OD1 ASP A 119 20.859 21.518 3.726 1.00 11.61 O ATOM 1058 OD2 ASP A 119 20.303 21.863 5.822 1.00 10.68 O ATOM 1059 H ASP A 119 22.677 20.582 3.325 1.00 0.00 H ATOM 1060 N ASP A 120 22.670 19.298 6.406 1.00 8.87 N ATOM 1061 CA ASP A 120 22.426 18.508 7.598 1.00 8.63 C ATOM 1062 C ASP A 120 23.712 17.991 8.203 1.00 11.49 C ATOM 1063 O ASP A 120 23.765 17.823 9.413 1.00 10.41 O ATOM 1064 CB ASP A 120 21.499 17.343 7.276 1.00 10.07 C ATOM 1065 CG ASP A 120 20.081 17.767 6.984 1.00 11.68 C ATOM 1066 OD1 ASP A 120 19.867 18.937 6.623 1.00 12.92 O ATOM 1067 OD2 ASP A 120 19.203 16.889 6.927 1.00 15.96 O ATOM 1068 H ASP A 120 22.263 19.000 5.497 1.00 0.00 H ATOM 1069 N SER A 121 24.751 17.745 7.401 1.00 9.68 N ATOM 1070 CA SER A 121 26.019 17.286 7.922 1.00 10.15 C ATOM 1071 C SER A 121 26.632 18.320 8.873 1.00 12.24 C ATOM 1072 O SER A 121 27.446 17.943 9.718 1.00 12.02 O ATOM 1073 CB SER A 121 26.978 16.969 6.770 1.00 11.44 C ATOM 1074 OG SER A 121 26.503 15.838 6.053 1.00 16.05 O ATOM 1075 HG SER A 121 25.603 16.034 5.689 1.00 0.00 H ATOM 1076 H SER A 121 24.645 17.887 6.376 1.00 0.00 H ATOM 1077 N TYR A 122 26.266 19.602 8.728 1.00 10.25 N ATOM 1078 CA TYR A 122 26.788 20.654 9.591 1.00 10.48 C ATOM 1079 C TYR A 122 25.980 20.833 10.868 1.00 12.26 C ATOM 1080 O TYR A 122 26.572 20.950 11.943 1.00 12.48 O ATOM 1081 CB TYR A 122 26.798 21.971 8.816 1.00 12.08 C ATOM 1082 CG TYR A 122 27.856 21.997 7.755 1.00 13.71 C ATOM 1083 CD1 TYR A 122 29.187 22.241 8.085 1.00 16.32 C ATOM 1084 CD2 TYR A 122 27.562 21.660 6.437 1.00 13.67 C ATOM 1085 CE1 TYR A 122 30.186 22.228 7.121 1.00 19.32 C ATOM 1086 CE2 TYR A 122 28.556 21.656 5.449 1.00 15.73 C ATOM 1087 CZ TYR A 122 29.866 21.944 5.805 1.00 22.20 C ATOM 1088 OH TYR A 122 30.898 21.935 4.901 1.00 25.55 O ATOM 1089 HH TYR A 122 31.742 22.167 5.363 1.00 0.00 H ATOM 1090 H TYR A 122 25.590 19.853 7.978 1.00 0.00 H ATOM 1091 N TRP A 123 24.648 20.875 10.780 1.00 10.14 N ATOM 1092 CA TRP A 123 23.850 21.200 11.955 1.00 10.18 C ATOM 1093 C TRP A 123 23.298 19.993 12.696 1.00 11.58 C ATOM 1094 O TRP A 123 23.034 20.126 13.907 1.00 11.69 O ATOM 1095 CB TRP A 123 22.759 22.211 11.635 1.00 10.08 C ATOM 1096 CG TRP A 123 21.777 21.769 10.600 1.00 9.97 C ATOM 1097 CD1 TRP A 123 21.796 22.092 9.279 1.00 10.90 C ATOM 1098 CD2 TRP A 123 20.567 21.032 10.811 1.00 10.02 C ATOM 1099 NE1 TRP A 123 20.696 21.586 8.643 1.00 9.56 N ATOM 1100 CE2 TRP A 123 19.913 20.938 9.566 1.00 11.47 C ATOM 1101 CE3 TRP A 123 19.962 20.447 11.939 1.00 11.93 C ATOM 1102 CZ2 TRP A 123 18.686 20.281 9.415 1.00 12.29 C ATOM 1103 CZ3 TRP A 123 18.741 19.820 11.790 1.00 12.96 C ATOM 1104 CH2 TRP A 123 18.137 19.710 10.535 1.00 13.16 C ATOM 1105 HE1 TRP A 123 20.487 21.677 7.628 1.00 0.00 H ATOM 1106 H TRP A 123 24.180 20.676 9.873 1.00 0.00 H ATOM 1107 N PHE A 124 23.181 18.808 12.047 1.00 12.04 N ATOM 1108 CA PHE A 124 22.733 17.641 12.833 1.00 12.74 C ATOM 1109 C PHE A 124 23.662 17.328 13.987 1.00 15.52 C ATOM 1110 O PHE A 124 23.149 17.020 15.081 1.00 15.98 O ATOM 1111 CB PHE A 124 22.661 16.375 11.989 1.00 14.96 C ATOM 1112 CG PHE A 124 21.257 16.004 11.673 1.00 16.34 C ATOM 1113 CD1 PHE A 124 20.494 16.786 10.818 1.00 21.24 C ATOM 1114 CD2 PHE A 124 20.708 14.834 12.173 1.00 21.04 C ATOM 1115 CE1 PHE A 124 19.192 16.431 10.502 1.00 23.27 C ATOM 1116 CE2 PHE A 124 19.395 14.464 11.839 1.00 24.52 C ATOM 1117 CZ PHE A 124 18.645 15.277 11.022 1.00 22.23 C ATOM 1118 H PHE A 124 23.399 18.724 11.033 1.00 0.00 H ATOM 1119 N PRO A 125 25.004 17.395 13.839 1.00 12.99 N ATOM 1120 CA PRO A 125 25.863 17.102 14.997 1.00 14.28 C ATOM 1121 C PRO A 125 25.544 18.002 16.191 1.00 14.18 C ATOM 1122 O PRO A 125 25.675 17.562 17.343 1.00 13.59 O ATOM 1123 CB PRO A 125 27.278 17.346 14.476 1.00 16.46 C ATOM 1124 CG PRO A 125 27.169 17.040 12.989 1.00 20.74 C ATOM 1125 CD PRO A 125 25.821 17.605 12.614 1.00 15.57 C ATOM 1126 N LEU A 126 25.102 19.255 15.931 1.00 11.33 N ATOM 1127 CA LEU A 126 24.725 20.163 17.023 1.00 10.95 C ATOM 1128 C LEU A 126 23.428 19.734 17.646 1.00 11.55 C ATOM 1129 O LEU A 126 23.341 19.649 18.876 1.00 11.19 O ATOM 1130 CB LEU A 126 24.623 21.590 16.496 1.00 10.35 C ATOM 1131 CG LEU A 126 25.847 22.087 15.721 1.00 12.70 C ATOM 1132 CD1 LEU A 126 25.641 23.548 15.299 1.00 12.45 C ATOM 1133 CD2 LEU A 126 27.131 21.987 16.550 1.00 16.15 C ATOM 1134 H LEU A 126 25.028 19.579 14.946 1.00 0.00 H ATOM 1135 N LEU A 127 22.447 19.365 16.822 1.00 11.22 N ATOM 1136 CA LEU A 127 21.160 18.848 17.276 1.00 12.73 C ATOM 1137 C LEU A 127 21.380 17.622 18.183 1.00 12.40 C ATOM 1138 O LEU A 127 20.785 17.525 19.262 1.00 12.95 O ATOM 1139 CB LEU A 127 20.382 18.413 16.026 1.00 14.80 C ATOM 1140 CG LEU A 127 19.080 17.667 16.208 1.00 19.27 C ATOM 1141 CD1 LEU A 127 17.990 18.634 16.376 1.00 20.20 C ATOM 1142 CD2 LEU A 127 18.820 16.724 15.023 1.00 20.26 C ATOM 1143 H LEU A 127 22.608 19.450 15.798 1.00 0.00 H ATOM 1144 N LEU A 128 22.269 16.698 17.781 1.00 11.45 N ATOM 1145 CA LEU A 128 22.492 15.466 18.528 1.00 12.43 C ATOM 1146 C LEU A 128 23.089 15.706 19.886 1.00 14.07 C ATOM 1147 O LEU A 128 22.904 14.883 20.777 1.00 16.11 O ATOM 1148 CB LEU A 128 23.379 14.491 17.724 1.00 12.94 C ATOM 1149 CG LEU A 128 22.786 13.963 16.398 1.00 16.19 C ATOM 1150 CD1 LEU A 128 23.756 13.014 15.716 1.00 17.61 C ATOM 1151 CD2 LEU A 128 21.417 13.320 16.588 1.00 17.66 C ATOM 1152 H LEU A 128 22.814 16.867 16.911 1.00 0.00 H ATOM 1153 N GLN A 129 23.797 16.826 20.056 1.00 11.67 N ATOM 1154 CA GLN A 129 24.394 17.172 21.328 1.00 11.15 C ATOM 1155 C GLN A 129 23.579 18.206 22.087 1.00 11.97 C ATOM 1156 O GLN A 129 24.097 18.863 22.992 1.00 12.11 O ATOM 1157 CB GLN A 129 25.853 17.602 21.150 1.00 12.38 C ATOM 1158 CG GLN A 129 26.743 16.391 20.821 1.00 12.73 C ATOM 1159 CD GLN A 129 28.206 16.733 20.757 1.00 13.85 C ATOM 1160 OE1 GLN A 129 28.587 17.906 20.687 1.00 14.04 O ATOM 1161 NE2 GLN A 129 29.085 15.730 20.711 1.00 13.34 N ATOM 1162 HE22 GLN A 129 28.754 14.746 20.771 1.00 0.00 H ATOM 1163 HE21 GLN A 129 30.101 15.933 20.615 1.00 0.00 H ATOM 1164 H GLN A 129 23.923 17.470 19.249 1.00 0.00 H ATOM 1165 N LYS A 130 22.307 18.377 21.692 1.00 10.44 N ATOM 1166 CA LYS A 130 21.343 19.247 22.369 1.00 11.90 C ATOM 1167 C LYS A 130 21.750 20.706 22.319 1.00 13.75 C ATOM 1168 O LYS A 130 21.496 21.456 23.267 1.00 15.04 O ATOM 1169 CB LYS A 130 21.081 18.765 23.824 1.00 15.38 C ATOM 1170 CG LYS A 130 20.607 17.313 23.917 1.00 20.55 C ATOM 1171 H LYS A 130 21.985 17.858 20.850 1.00 0.00 H ATOM 1172 N LYS A 131 22.402 21.121 21.243 1.00 10.74 N ATOM 1173 CA LYS A 131 22.778 22.508 21.068 1.00 11.24 C ATOM 1174 C LYS A 131 21.732 23.208 20.219 1.00 13.21 C ATOM 1175 O LYS A 131 20.974 22.567 19.464 1.00 14.51 O ATOM 1176 CB LYS A 131 24.190 22.643 20.440 1.00 12.37 C ATOM 1177 CG LYS A 131 25.310 21.912 21.192 1.00 16.70 C ATOM 1178 CD LYS A 131 25.367 22.328 22.667 1.00 19.15 C ATOM 1179 CE LYS A 131 26.755 22.619 23.153 1.00 32.35 C ATOM 1180 NZ LYS A 131 26.750 22.860 24.617 1.00 29.76 N ATOM 1181 HZ1 LYS A 131 26.138 23.673 24.831 1.00 0.00 H ATOM 1182 HZ2 LYS A 131 26.390 22.015 25.105 1.00 0.00 H ATOM 1183 HZ3 LYS A 131 27.719 23.060 24.937 1.00 0.00 H ATOM 1184 H LYS A 131 22.650 20.432 20.504 1.00 0.00 H ATOM 1185 N LYS A 132 21.676 24.515 20.348 1.00 10.84 N ATOM 1186 CA LYS A 132 20.772 25.367 19.561 1.00 9.46 C ATOM 1187 C LYS A 132 21.588 26.180 18.591 1.00 9.91 C ATOM 1188 O LYS A 132 22.747 26.474 18.906 1.00 10.83 O ATOM 1189 CB LYS A 132 19.925 26.254 20.452 1.00 11.37 C ATOM 1190 CG LYS A 132 18.986 25.431 21.341 1.00 13.80 C ATOM 1191 CD LYS A 132 18.288 26.284 22.356 1.00 18.30 C ATOM 1192 H LYS A 132 22.303 24.970 21.042 1.00 0.00 H ATOM 1193 N PHE A 133 21.019 26.590 17.439 1.00 8.99 N ATOM 1194 CA PHE A 133 21.859 27.257 16.460 1.00 9.52 C ATOM 1195 C PHE A 133 21.092 28.171 15.533 1.00 9.02 C ATOM 1196 O PHE A 133 19.872 28.080 15.388 1.00 8.84 O ATOM 1197 CB PHE A 133 22.596 26.181 15.600 1.00 11.43 C ATOM 1198 CG PHE A 133 21.648 25.167 15.011 1.00 12.25 C ATOM 1199 CD1 PHE A 133 20.994 25.418 13.815 1.00 13.70 C ATOM 1200 CD2 PHE A 133 21.418 23.957 15.646 1.00 13.92 C ATOM 1201 CE1 PHE A 133 20.081 24.499 13.291 1.00 14.66 C ATOM 1202 CE2 PHE A 133 20.503 23.040 15.120 1.00 17.78 C ATOM 1203 CZ PHE A 133 19.842 23.327 13.947 1.00 14.80 C ATOM 1204 H PHE A 133 20.007 26.433 17.257 1.00 0.00 H ATOM 1205 N HIS A 134 21.847 29.072 14.907 1.00 8.97 N ATOM 1206 CA HIS A 134 21.411 29.908 13.812 1.00 9.38 C ATOM 1207 C HIS A 134 22.346 29.602 12.664 1.00 10.92 C ATOM 1208 O HIS A 134 23.588 29.630 12.841 1.00 10.43 O ATOM 1209 CB HIS A 134 21.514 31.393 14.165 1.00 10.52 C ATOM 1210 CG HIS A 134 20.400 31.920 15.016 1.00 12.21 C ATOM 1211 ND1 HIS A 134 20.338 33.270 15.335 1.00 15.84 N ATOM 1212 CD2 HIS A 134 19.329 31.288 15.569 1.00 11.49 C ATOM 1213 CE1 HIS A 134 19.265 33.417 16.099 1.00 15.55 C ATOM 1214 NE2 HIS A 134 18.600 32.264 16.241 1.00 13.45 N ATOM 1215 H HIS A 134 22.829 29.183 15.232 1.00 0.00 H ATOM 1216 N GLY A 135 21.792 29.402 11.477 1.00 11.02 N ATOM 1217 CA GLY A 135 22.599 29.119 10.306 1.00 11.23 C ATOM 1218 C GLY A 135 22.095 29.816 9.062 1.00 10.40 C ATOM 1219 O GLY A 135 20.940 30.245 8.992 1.00 9.83 O ATOM 1220 H GLY A 135 20.757 29.449 11.383 1.00 0.00 H ATOM 1221 N TYR A 136 22.950 29.887 8.051 1.00 9.64 N ATOM 1222 CA TYR A 136 22.621 30.426 6.728 1.00 9.85 C ATOM 1223 C TYR A 136 23.411 29.604 5.751 1.00 10.08 C ATOM 1224 O TYR A 136 24.637 29.503 5.906 1.00 12.10 O ATOM 1225 CB TYR A 136 22.977 31.928 6.647 1.00 12.25 C ATOM 1226 CG TYR A 136 22.434 32.644 5.413 1.00 15.18 C ATOM 1227 CD1 TYR A 136 22.935 32.369 4.151 1.00 16.97 C ATOM 1228 CD2 TYR A 136 21.458 33.631 5.525 1.00 15.76 C ATOM 1229 CE1 TYR A 136 22.464 33.031 3.017 1.00 16.14 C ATOM 1230 CE2 TYR A 136 20.961 34.289 4.393 1.00 17.25 C ATOM 1231 CZ TYR A 136 21.465 33.976 3.140 1.00 19.09 C ATOM 1232 OH TYR A 136 21.031 34.636 2.007 1.00 18.34 O ATOM 1233 HH TYR A 136 21.503 34.275 1.215 1.00 0.00 H ATOM 1234 H TYR A 136 23.917 29.538 8.207 1.00 0.00 H ATOM 1235 N PHE A 137 22.739 28.977 4.770 1.00 8.68 N ATOM 1236 CA PHE A 137 23.424 28.173 3.751 1.00 8.90 C ATOM 1237 C PHE A 137 23.064 28.709 2.399 1.00 9.10 C ATOM 1238 O PHE A 137 21.877 28.842 2.093 1.00 9.88 O ATOM 1239 CB PHE A 137 23.019 26.684 3.842 1.00 9.79 C ATOM 1240 CG PHE A 137 23.500 26.033 5.111 1.00 9.31 C ATOM 1241 CD1 PHE A 137 22.771 26.143 6.291 1.00 10.52 C ATOM 1242 CD2 PHE A 137 24.694 25.324 5.138 1.00 10.10 C ATOM 1243 CE1 PHE A 137 23.256 25.561 7.478 1.00 11.48 C ATOM 1244 CE2 PHE A 137 25.165 24.761 6.322 1.00 12.08 C ATOM 1245 CZ PHE A 137 24.454 24.898 7.468 1.00 11.09 C ATOM 1246 H PHE A 137 21.703 29.064 4.732 1.00 0.00 H ATOM 1247 N LYS A 138 24.070 28.988 1.588 1.00 9.34 N ATOM 1248 CA LYS A 138 23.847 29.451 0.221 1.00 9.29 C ATOM 1249 C LYS A 138 24.192 28.292 -0.715 1.00 10.73 C ATOM 1250 O LYS A 138 25.346 27.822 -0.731 1.00 10.89 O ATOM 1251 CB LYS A 138 24.753 30.645 -0.074 1.00 11.44 C ATOM 1252 CG LYS A 138 24.635 31.133 -1.518 1.00 11.21 C ATOM 1253 CD LYS A 138 25.670 32.182 -1.919 1.00 15.36 C ATOM 1254 CE LYS A 138 25.816 33.422 -1.080 1.00 27.70 C ATOM 1255 NZ LYS A 138 27.009 34.203 -1.531 1.00 29.59 N ATOM 1256 HZ1 LYS A 138 27.863 33.618 -1.431 1.00 0.00 H ATOM 1257 HZ2 LYS A 138 26.888 34.474 -2.528 1.00 0.00 H ATOM 1258 HZ3 LYS A 138 27.103 35.058 -0.947 1.00 0.00 H ATOM 1259 H LYS A 138 25.045 28.875 1.932 1.00 0.00 H ATOM 1260 N PHE A 139 23.194 27.839 -1.461 1.00 9.18 N ATOM 1261 CA PHE A 139 23.281 26.737 -2.374 1.00 8.96 C ATOM 1262 C PHE A 139 23.337 27.200 -3.814 1.00 11.70 C ATOM 1263 O PHE A 139 22.728 28.213 -4.198 1.00 12.39 O ATOM 1264 CB PHE A 139 21.993 25.892 -2.252 1.00 10.44 C ATOM 1265 CG PHE A 139 21.991 24.837 -1.167 1.00 11.07 C ATOM 1266 CD1 PHE A 139 21.787 25.179 0.162 1.00 13.70 C ATOM 1267 CD2 PHE A 139 22.220 23.501 -1.481 1.00 12.97 C ATOM 1268 CE1 PHE A 139 21.802 24.195 1.162 1.00 12.82 C ATOM 1269 CE2 PHE A 139 22.224 22.520 -0.478 1.00 13.94 C ATOM 1270 CZ PHE A 139 22.015 22.876 0.826 1.00 12.20 C ATOM 1271 H PHE A 139 22.276 28.321 -1.377 1.00 0.00 H ATOM 1272 N GLN A 140 24.011 26.410 -4.647 1.00 10.50 N ATOM 1273 CA GLN A 140 23.905 26.518 -6.090 1.00 12.80 C ATOM 1274 C GLN A 140 23.294 25.187 -6.507 1.00 17.76 C ATOM 1275 O GLN A 140 23.906 24.130 -6.343 1.00 17.36 O ATOM 1276 CB GLN A 140 25.262 26.762 -6.764 1.00 15.59 C ATOM 1277 CG GLN A 140 25.156 26.860 -8.310 1.00 20.70 C ATOM 1278 CD GLN A 140 26.243 27.696 -8.974 1.00 39.05 C ATOM 1279 OE1 GLN A 140 27.365 27.858 -8.485 1.00 32.75 O ATOM 1280 NE2 GLN A 140 25.941 28.226 -10.142 1.00 33.58 N ATOM 1281 HE22 GLN A 140 24.994 28.085 -10.548 1.00 0.00 H ATOM 1282 HE21 GLN A 140 26.650 28.785 -10.658 1.00 0.00 H ATOM 1283 H GLN A 140 24.640 25.685 -4.247 1.00 0.00 H ATOM 1284 N GLY A 141 22.060 25.226 -6.958 1.00 14.65 N ATOM 1285 CA GLY A 141 21.343 23.991 -7.213 1.00 15.45 C ATOM 1286 C GLY A 141 21.017 23.313 -5.897 1.00 17.36 C ATOM 1287 O GLY A 141 21.002 23.960 -4.838 1.00 17.56 O ATOM 1288 H GLY A 141 21.598 26.141 -7.132 1.00 0.00 H ATOM 1289 N GLN A 142 20.785 22.018 -5.934 1.00 14.54 N ATOM 1290 CA GLN A 142 20.393 21.311 -4.729 1.00 14.03 C ATOM 1291 C GLN A 142 21.516 20.471 -4.086 1.00 14.71 C ATOM 1292 O GLN A 142 21.328 19.926 -2.992 1.00 13.82 O ATOM 1293 CB GLN A 142 19.140 20.491 -5.028 1.00 17.12 C ATOM 1294 CG GLN A 142 17.955 21.395 -5.384 1.00 21.86 C ATOM 1295 CD GLN A 142 16.708 20.632 -5.755 1.00 37.84 C ATOM 1296 OE1 GLN A 142 16.388 19.592 -5.174 1.00 28.21 O ATOM 1297 NE2 GLN A 142 15.958 21.155 -6.719 1.00 34.84 N ATOM 1298 HE22 GLN A 142 16.255 22.033 -7.190 1.00 0.00 H ATOM 1299 HE21 GLN A 142 15.074 20.686 -7.002 1.00 0.00 H ATOM 1300 H GLN A 142 20.883 21.500 -6.830 1.00 0.00 H ATOM 1301 N ASP A 143 22.715 20.471 -4.691 1.00 13.49 N ATOM 1302 CA ASP A 143 23.794 19.612 -4.191 1.00 13.33 C ATOM 1303 C ASP A 143 25.032 20.315 -3.704 1.00 16.34 C ATOM 1304 O ASP A 143 25.924 19.657 -3.150 1.00 17.54 O ATOM 1305 CB ASP A 143 24.217 18.635 -5.318 1.00 15.47 C ATOM 1306 CG ASP A 143 23.099 17.742 -5.797 1.00 21.07 C ATOM 1307 OD1 ASP A 143 22.176 17.467 -5.003 1.00 20.58 O ATOM 1308 OD2 ASP A 143 23.162 17.292 -6.947 1.00 27.53 O ATOM 1309 H ASP A 143 22.879 21.082 -5.517 1.00 0.00 H ATOM 1310 N THR A 144 25.152 21.621 -3.976 1.00 12.64 N ATOM 1311 CA THR A 144 26.390 22.337 -3.675 1.00 10.64 C ATOM 1312 C THR A 144 26.174 23.490 -2.701 1.00 11.23 C ATOM 1313 O THR A 144 25.385 24.403 -2.997 1.00 12.69 O ATOM 1314 CB THR A 144 26.944 22.899 -4.987 1.00 12.90 C ATOM 1315 OG1 THR A 144 27.114 21.827 -5.915 1.00 13.47 O ATOM 1316 CG2 THR A 144 28.262 23.621 -4.785 1.00 13.84 C ATOM 1317 HG1 THR A 144 26.240 21.393 -6.079 1.00 0.00 H ATOM 1318 H THR A 144 24.355 22.132 -4.406 1.00 0.00 H ATOM 1319 N ILE A 145 26.913 23.480 -1.587 1.00 10.38 N ATOM 1320 CA ILE A 145 26.924 24.613 -0.663 1.00 9.65 C ATOM 1321 C ILE A 145 28.062 25.510 -1.121 1.00 10.52 C ATOM 1322 O ILE A 145 29.235 25.128 -1.089 1.00 11.64 O ATOM 1323 CB ILE A 145 27.102 24.170 0.774 1.00 11.11 C ATOM 1324 CG1 ILE A 145 25.890 23.325 1.229 1.00 11.73 C ATOM 1325 CG2 ILE A 145 27.324 25.367 1.685 1.00 10.84 C ATOM 1326 CD1 ILE A 145 26.122 22.579 2.597 1.00 14.60 C ATOM 1327 H ILE A 145 27.495 22.645 -1.372 1.00 0.00 H ATOM 1328 N LEU A 146 27.731 26.712 -1.581 1.00 10.67 N ATOM 1329 CA LEU A 146 28.742 27.683 -1.973 1.00 10.60 C ATOM 1330 C LEU A 146 29.388 28.299 -0.754 1.00 13.03 C ATOM 1331 O LEU A 146 30.611 28.498 -0.744 1.00 13.54 O ATOM 1332 CB LEU A 146 28.130 28.800 -2.831 1.00 11.52 C ATOM 1333 CG LEU A 146 27.507 28.389 -4.160 1.00 14.04 C ATOM 1334 CD1 LEU A 146 26.844 29.582 -4.823 1.00 17.29 C ATOM 1335 CD2 LEU A 146 28.545 27.817 -5.129 1.00 15.32 C ATOM 1336 H LEU A 146 26.726 26.965 -1.663 1.00 0.00 H ATOM 1337 N ASP A 147 28.591 28.651 0.253 1.00 11.21 N ATOM 1338 CA ASP A 147 29.094 29.275 1.467 1.00 11.75 C ATOM 1339 C ASP A 147 28.060 29.107 2.556 1.00 9.91 C ATOM 1340 O ASP A 147 26.891 28.816 2.269 1.00 10.39 O ATOM 1341 CB ASP A 147 29.400 30.773 1.252 1.00 15.28 C ATOM 1342 H ASP A 147 27.570 28.473 0.168 1.00 0.00 H ATOM 1343 N TYR A 148 28.466 29.250 3.793 1.00 10.20 N ATOM 1344 CA TYR A 148 27.531 29.121 4.896 1.00 9.78 C ATOM 1345 C TYR A 148 28.078 29.748 6.120 1.00 10.68 C ATOM 1346 O TYR A 148 29.297 29.964 6.245 1.00 12.30 O ATOM 1347 CB TYR A 148 27.225 27.627 5.211 1.00 10.63 C ATOM 1348 CG TYR A 148 28.299 26.925 6.008 1.00 12.08 C ATOM 1349 CD1 TYR A 148 29.478 26.496 5.404 1.00 14.33 C ATOM 1350 CD2 TYR A 148 28.160 26.727 7.379 1.00 12.70 C ATOM 1351 CE1 TYR A 148 30.497 25.904 6.150 1.00 16.81 C ATOM 1352 CE2 TYR A 148 29.166 26.126 8.131 1.00 13.08 C ATOM 1353 CZ TYR A 148 30.332 25.725 7.514 1.00 16.22 C ATOM 1354 OH TYR A 148 31.343 25.136 8.249 1.00 20.34 O ATOM 1355 HH TYR A 148 32.099 24.914 7.650 1.00 0.00 H ATOM 1356 H TYR A 148 29.466 29.458 3.987 1.00 0.00 H ATOM 1357 N THR A 149 27.190 30.013 7.070 1.00 10.81 N ATOM 1358 CA THR A 149 27.568 30.402 8.425 1.00 11.55 C ATOM 1359 C THR A 149 26.726 29.576 9.374 1.00 11.79 C ATOM 1360 O THR A 149 25.580 29.240 9.054 1.00 11.02 O ATOM 1361 CB THR A 149 27.380 31.896 8.692 1.00 13.74 C ATOM 1362 OG1 THR A 149 26.020 32.240 8.462 1.00 18.42 O ATOM 1363 CG2 THR A 149 28.273 32.766 7.822 1.00 17.86 C ATOM 1364 HG1 THR A 149 25.441 31.716 9.071 1.00 0.00 H ATOM 1365 H THR A 149 26.179 29.940 6.838 1.00 0.00 H ATOM 1366 N LEU A 150 27.282 29.219 10.527 1.00 11.70 N ATOM 1367 CA LEU A 150 26.567 28.455 11.545 1.00 11.23 C ATOM 1368 C LEU A 150 27.145 28.799 12.894 1.00 12.95 C ATOM 1369 O LEU A 150 28.389 28.800 13.061 1.00 15.32 O ATOM 1370 CB LEU A 150 26.723 26.972 11.247 1.00 11.47 C ATOM 1371 CG LEU A 150 25.916 26.002 12.093 1.00 13.62 C ATOM 1372 CD1 LEU A 150 24.405 26.196 11.923 1.00 13.94 C ATOM 1373 CD2 LEU A 150 26.234 24.585 11.676 1.00 13.20 C ATOM 1374 H LEU A 150 28.267 29.495 10.712 1.00 0.00 H ATOM 1375 N ARG A 151 26.287 29.173 13.820 1.00 11.27 N ATOM 1376 CA ARG A 151 26.736 29.487 15.163 1.00 12.66 C ATOM 1377 C ARG A 151 25.778 28.953 16.173 1.00 12.31 C ATOM 1378 O ARG A 151 24.565 28.910 15.949 1.00 11.84 O ATOM 1379 CB ARG A 151 26.956 30.974 15.381 1.00 17.22 C ATOM 1380 CG ARG A 151 25.702 31.803 15.396 1.00 20.15 C ATOM 1381 H ARG A 151 25.276 29.244 13.586 1.00 0.00 H ATOM 1382 N GLU A 152 26.306 28.536 17.313 1.00 11.66 N ATOM 1383 CA GLU A 152 25.480 28.110 18.425 1.00 10.63 C ATOM 1384 C GLU A 152 24.919 29.298 19.142 1.00 11.67 C ATOM 1385 O GLU A 152 25.559 30.371 19.204 1.00 13.07 O ATOM 1386 CB GLU A 152 26.260 27.254 19.410 1.00 11.97 C ATOM 1387 CG GLU A 152 26.750 25.996 18.737 1.00 15.91 C ATOM 1388 CD GLU A 152 27.532 25.043 19.608 1.00 19.25 C ATOM 1389 OE1 GLU A 152 27.457 25.130 20.853 1.00 18.19 O ATOM 1390 OE2 GLU A 152 28.247 24.207 19.021 1.00 20.28 O ATOM 1391 H GLU A 152 27.341 28.513 17.413 1.00 0.00 H ATOM 1392 N VAL A 153 23.708 29.146 19.634 1.00 10.05 N ATOM 1393 CA VAL A 153 23.033 30.244 20.334 1.00 10.04 C ATOM 1394 C VAL A 153 22.428 29.748 21.632 1.00 13.25 C ATOM 1395 O VAL A 153 22.175 28.547 21.780 1.00 12.08 O ATOM 1396 CB VAL A 153 21.934 30.900 19.442 1.00 12.37 C ATOM 1397 CG1 VAL A 153 22.517 31.558 18.182 1.00 11.85 C ATOM 1398 CG2 VAL A 153 20.823 29.921 19.092 1.00 12.73 C ATOM 1399 H VAL A 153 23.222 28.233 19.525 1.00 0.00 H ATOM 1400 N ASP A 154 22.106 30.685 22.541 1.00 12.00 N ATOM 1401 CA ASP A 154 21.373 30.314 23.735 1.00 12.82 C ATOM 1402 C ASP A 154 19.867 30.469 23.548 1.00 14.70 C ATOM 1403 O ASP A 154 19.089 29.779 24.214 1.00 17.76 O ATOM 1404 CB ASP A 154 21.874 31.120 24.930 1.00 14.99 C ATOM 1405 CG ASP A 154 23.295 30.732 25.272 1.00 18.23 C ATOM 1406 OD1 ASP A 154 23.572 29.518 25.337 1.00 19.08 O ATOM 1407 OD2 ASP A 154 24.102 31.634 25.515 1.00 25.55 O ATOM 1408 H ASP A 154 22.383 31.676 22.387 1.00 0.00 H ATOM 1409 N THR A 155 19.460 31.398 22.677 1.00 13.06 N ATOM 1410 CA THR A 155 18.057 31.658 22.408 1.00 12.35 C ATOM 1411 C THR A 155 17.867 31.535 20.909 1.00 13.53 C ATOM 1412 O THR A 155 18.480 32.277 20.150 1.00 14.38 O ATOM 1413 CB THR A 155 17.693 33.106 22.870 1.00 14.04 C ATOM 1414 OG1 THR A 155 18.115 33.276 24.229 1.00 19.49 O ATOM 1415 CG2 THR A 155 16.190 33.382 22.726 1.00 19.52 C ATOM 1416 HG1 THR A 155 17.889 34.191 24.532 1.00 0.00 H ATOM 1417 H THR A 155 20.177 31.957 22.172 1.00 0.00 H ATOM 1418 N VAL A 156 16.970 30.661 20.457 1.00 11.19 N ATOM 1419 CA VAL A 156 16.700 30.534 19.032 1.00 12.50 C ATOM 1420 C VAL A 156 15.907 31.729 18.539 1.00 15.58 C ATOM 1421 O VAL A 156 14.931 32.119 19.221 1.00 15.69 O ATOM 1422 CB VAL A 156 15.948 29.208 18.759 1.00 14.65 C ATOM 1423 CG1 VAL A 156 15.517 29.090 17.302 1.00 14.79 C ATOM 1424 CG2 VAL A 156 16.793 28.021 19.172 1.00 14.36 C ATOM 1425 OXT VAL A 156 16.241 32.260 17.461 1.00 17.46 O ATOM 1426 H VAL A 156 16.455 30.060 21.132 1.00 0.00 H TER 1427 VAL A 156 HETATM 1428 O HOH 1 10.455 34.588 7.489 1.00 22.17 O HETATM 1429 O HOH 2 8.821 31.582 -1.372 1.00 26.78 O HETATM 1430 O HOH 3 10.396 29.720 -0.376 1.00 20.04 O HETATM 1431 O HOH 4 10.512 21.953 5.113 1.00 23.76 O HETATM 1432 O HOH 5 4.623 24.429 8.970 1.00 17.42 O HETATM 1433 O HOH 6 7.408 1.670 16.347 1.00 58.36 O HETATM 1434 O HOH 7 11.576 13.668 12.633 1.00 13.50 O HETATM 1435 O HOH 8 16.434 12.675 22.923 1.00 30.32 O HETATM 1436 O HOH 9 14.447 15.531 21.314 1.00 23.00 O HETATM 1437 O HOH 10 10.008 1.185 16.867 1.00 20.26 O HETATM 1438 O HOH 11 8.420 29.071 17.224 1.00 31.53 O HETATM 1439 O HOH 12 6.817 20.670 -2.034 1.00 35.92 O HETATM 1440 O HOH 13 13.951 16.634 1.086 1.00 24.63 O HETATM 1441 O HOH 14 11.560 25.559 24.124 1.00 20.17 O HETATM 1442 O HOH 15 19.590 11.089 -1.929 1.00 28.34 O HETATM 1443 O HOH 16 21.727 13.590 -1.261 1.00 30.22 O HETATM 1444 O HOH 17 17.848 16.301 4.543 1.00 9.98 O HETATM 1445 O HOH 18 19.810 5.796 2.735 1.00 30.93 O HETATM 1446 O HOH 19 15.651 17.578 7.004 1.00 14.72 O HETATM 1447 O HOH 20 4.564 22.938 2.666 1.00 19.07 O HETATM 1448 O HOH 21 1.458 24.333 4.527 1.00 24.44 O HETATM 1449 O HOH 22 -2.847 21.726 5.422 1.00 34.85 O HETATM 1450 O HOH 23 -2.169 29.980 4.303 1.00 22.13 O HETATM 1451 O HOH 24 -5.442 30.592 6.903 1.00 22.76 O HETATM 1452 O HOH 25 -6.158 32.692 5.173 1.00 14.71 O HETATM 1453 O HOH 26 -4.988 36.223 4.728 1.00 19.40 O HETATM 1454 O HOH 27 -2.525 24.658 12.787 1.00 23.68 O HETATM 1455 O HOH 28 8.613 1.533 11.291 1.00 78.46 O HETATM 1456 O HOH 29 -1.997 28.882 15.061 1.00 25.13 O HETATM 1457 O HOH 30 1.674 28.451 19.172 1.00 27.86 O HETATM 1458 O HOH 31 4.664 32.219 15.159 1.00 31.74 O HETATM 1459 O HOH 32 5.247 29.807 17.320 1.00 19.73 O HETATM 1460 O HOH 33 -1.206 22.610 14.760 1.00 18.03 O HETATM 1461 O HOH 34 -1.232 23.240 17.438 1.00 33.09 O HETATM 1462 O HOH 35 1.812 16.432 15.309 1.00 12.23 O HETATM 1463 O HOH 36 26.523 12.961 19.018 1.00 22.57 O HETATM 1464 O HOH 37 0.053 21.453 4.096 1.00 26.71 O HETATM 1465 O HOH 38 22.534 25.132 24.929 1.00 28.56 O HETATM 1466 O HOH 39 -1.417 10.118 8.645 1.00 31.15 O HETATM 1467 O HOH 40 -1.532 13.510 5.499 1.00 22.60 O HETATM 1468 O HOH 41 0.143 11.307 6.235 1.00 83.43 O HETATM 1469 O HOH 42 -3.551 19.124 8.455 1.00 21.61 O HETATM 1470 O HOH 43 0.298 12.423 3.384 1.00 26.01 O HETATM 1471 O HOH 44 32.283 27.305 2.927 1.00 38.67 O HETATM 1472 O HOH 45 3.262 9.887 5.631 1.00 17.60 O HETATM 1473 O HOH 46 -0.087 7.451 13.382 1.00 27.59 O HETATM 1474 O HOH 47 1.618 14.137 22.129 1.00 32.26 O HETATM 1475 O HOH 48 9.984 16.551 23.850 1.00 29.21 O HETATM 1476 O HOH 49 14.716 26.539 22.779 1.00 22.66 O HETATM 1477 O HOH 50 12.784 26.962 16.037 1.00 18.62 O HETATM 1478 O HOH 51 16.842 31.767 -2.437 1.00 11.50 O HETATM 1479 O HOH 52 20.483 27.672 -7.417 1.00 18.92 O HETATM 1480 O HOH 53 20.502 35.045 -6.503 1.00 30.99 O HETATM 1481 O HOH 54 12.302 31.909 -5.208 1.00 20.11 O HETATM 1482 O HOH 55 12.750 29.634 -1.721 1.00 23.59 O HETATM 1483 O HOH 56 11.243 29.214 16.077 1.00 27.17 O HETATM 1484 O HOH 57 17.062 16.494 21.802 1.00 23.50 O HETATM 1485 O HOH 58 18.353 18.401 20.171 1.00 19.87 O HETATM 1486 O HOH 59 13.067 17.124 22.995 1.00 27.10 O HETATM 1487 O HOH 60 -1.158 7.366 21.637 1.00 29.70 O HETATM 1488 O HOH 61 1.143 6.304 20.843 1.00 32.71 O HETATM 1489 O HOH 62 2.196 3.101 7.196 1.00 27.17 O HETATM 1490 O HOH 63 1.528 3.144 3.080 1.00 17.23 O HETATM 1491 O HOH 64 -1.782 13.147 -1.500 1.00 29.65 O HETATM 1492 O HOH 65 10.504 5.778 -0.920 1.00 24.93 O HETATM 1493 O HOH 66 11.274 1.592 4.384 1.00 34.27 O HETATM 1494 O HOH 67 15.743 4.814 0.834 1.00 27.52 O HETATM 1495 O HOH 68 7.512 3.801 6.515 1.00 26.69 O HETATM 1496 O HOH 69 13.711 2.199 11.142 1.00 72.81 O HETATM 1497 O HOH 70 11.015 2.690 11.229 1.00 21.17 O HETATM 1498 O HOH 71 7.458 4.275 16.257 1.00 24.15 O HETATM 1499 O HOH 72 19.764 2.662 11.845 1.00 21.62 O HETATM 1500 O HOH 73 21.549 4.294 7.486 1.00 34.42 O HETATM 1501 O HOH 74 25.344 8.323 4.486 1.00 26.89 O HETATM 1502 O HOH 75 24.517 15.317 1.201 1.00 28.58 O HETATM 1503 O HOH 76 24.036 15.651 4.818 1.00 12.19 O HETATM 1504 O HOH 77 27.685 18.101 3.475 1.00 20.70 O HETATM 1505 O HOH 78 33.349 23.171 6.121 1.00 33.76 O HETATM 1506 O HOH 79 27.253 15.185 17.500 1.00 18.26 O HETATM 1507 O HOH 80 28.194 13.041 21.313 1.00 17.55 O HETATM 1508 O HOH 81 18.002 21.882 23.038 1.00 37.36 O HETATM 1509 O HOH 82 22.930 20.923 26.076 1.00 34.53 O HETATM 1510 O HOH 83 18.960 21.001 20.625 1.00 22.13 O HETATM 1511 O HOH 84 24.291 23.276 25.904 1.00 27.21 O HETATM 1512 O HOH 85 23.220 25.923 22.334 1.00 15.51 O HETATM 1513 O HOH 86 24.676 32.016 11.137 1.00 27.37 O HETATM 1514 O HOH 87 19.885 32.477 10.741 1.00 28.49 O HETATM 1515 O HOH 88 24.165 21.551 -7.035 1.00 18.73 O HETATM 1516 O HOH 89 20.641 20.577 -8.491 1.00 28.03 O HETATM 1517 O HOH 90 28.806 21.263 -1.258 1.00 16.62 O HETATM 1518 O HOH 91 32.995 28.122 0.395 1.00 27.77 O HETATM 1519 O HOH 92 31.394 29.546 3.829 1.00 28.09 O HETATM 1520 O HOH 93 30.652 29.447 10.335 1.00 36.15 O HETATM 1521 O HOH 94 29.267 28.578 17.785 1.00 19.41 O HETATM 1522 O HOH 95 27.315 32.416 18.945 1.00 32.02 O HETATM 1523 O HOH 96 25.944 26.257 22.797 1.00 25.26 O HETATM 1524 O HOH 97 28.909 22.240 20.602 1.00 15.44 O HETATM 1525 O HOH 98 21.196 33.589 22.197 1.00 23.12 O HETATM 1526 O HOH 99 23.820 33.514 21.807 1.00 30.29 O HETATM 1527 O HOH 100 21.664 27.490 25.965 1.00 22.30 O HETATM 1528 O HOH 101 15.362 29.260 22.468 1.00 21.61 O HETATM 1529 O HOH 102 13.580 31.241 21.378 1.00 25.04 O HETATM 1530 O HOH 103 12.445 31.782 17.431 1.00 31.97 O HETATM 1531 O HOH 104 26.393 33.694 12.392 1.00 33.59 O HETATM 1532 O UAN A 105 17.462 19.573 6.199 1.00 -0.36 O HETATM 1533 C2 UAN A 105 17.038 20.152 5.183 1.00 0.26 C HETATM 1534 N1 UAN A 105 17.818 21.051 4.463 1.00 -0.25 N HETATM 1535 C1 UAN A 105 17.380 21.733 3.356 1.00 0.21 C HETATM 1536 N2 UAN A 105 16.193 21.577 2.798 1.00 -0.19 N HETATM 1537 C4 UAN A 105 15.396 20.731 3.473 1.00 0.32 C HETATM 1538 C3 UAN A 105 15.701 20.007 4.612 1.00 0.26 C HETATM 1539 N4 UAN A 105 14.675 19.127 4.914 1.00 -0.19 N HETATM 1540 C5 UAN A 105 13.742 19.429 4.036 1.00 0.18 C HETATM 1541 N3 UAN A 105 14.148 20.320 3.097 1.00 -0.13 N HETATM 1542 C6 UAN A 105 13.376 20.741 1.927 1.00 0.07 C HETATM 1543 H3 UAN A 105 12.408 20.218 1.919 1.00 0.06 H HETATM 1544 H4 UAN A 105 13.934 20.494 1.012 1.00 0.06 H HETATM 1545 H5 UAN A 105 13.206 21.827 1.971 1.00 0.06 H HETATM 1546 H2 UAN A 105 12.740 19.004 4.061 1.00 0.18 H HETATM 1547 H6 UAN A 105 15.907 22.056 1.932 1.00 0.25 H HETATM 1548 N UAN A 105 18.276 22.497 2.734 1.00 -0.32 N HETATM 1549 C UAN A 105 17.976 23.328 1.580 1.00 0.01 C HETATM 1550 H8 UAN A 105 18.887 23.855 1.261 1.00 0.05 H HETATM 1551 H9 UAN A 105 17.203 24.063 1.848 1.00 0.05 H HETATM 1552 H10 UAN A 105 17.611 22.695 0.757 1.00 0.05 H HETATM 1553 H7 UAN A 105 19.241 22.499 3.093 1.00 0.18 H HETATM 1554 H1 UAN A 105 18.756 21.210 4.771 1.00 0.18 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1532 1533 CONECT 1533 1532 1534 1538 CONECT 1534 1533 1535 1554 CONECT 1535 1534 1536 1548 CONECT 1536 1535 1537 1547 CONECT 1537 1536 1538 1541 CONECT 1538 1533 1537 1539 CONECT 1539 1538 1540 CONECT 1540 1539 1541 1546 CONECT 1541 1537 1540 1542 CONECT 1542 1541 1543 1544 1545 CONECT 1543 1542 CONECT 1544 1542 CONECT 1545 1542 CONECT 1546 1540 CONECT 1547 1536 CONECT 1548 1535 1549 1553 CONECT 1549 1548 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1548 CONECT 1554 1534 MASTER 0 0 0 0 0 0 0 0 1553 1 27 12 END
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Protein Sequence Similarity
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5fsn
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156aa, >5FSN_1|Chain... at 100%
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RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
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PDBbind
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5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
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PDBbind
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6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
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182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
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182aa, >6EQ4_1|Chain... at 100%
6eq3
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6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
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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
5fsl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Nudix pyrophosphatase MTH1
Ligand Name
UAN
EC.Number
E.C.-.-.-.-
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Kd=24uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Plos One Vol. 11: pp. 51154-
Ligand Properties
Formula
C
7
H
1
0
N
5
O
Molecular Weight
180.187
Exact Mass
180.089
No. of atoms
23
No. of bonds
24
Polar Surface Area
76.85
LOGP Value
-0.65 (
Computed with XLOGP3
)
-0.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
CNc1[nH]c2n(C)cnc2c(=O)[nH+]1
InChI String
InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11,13)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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