Browse entries in the PDBbind-CN Database
HEADER 1FV0_COMPLEX COMPND 1FV0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET UNN A 292 36 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 16.855 12.612 41.508 1.00 25.25 N ATOM 2 CA SER A 1 17.158 13.787 40.642 1.00 25.23 C ATOM 3 C SER A 1 16.004 14.783 40.694 1.00 25.37 C ATOM 4 O SER A 1 14.977 14.525 41.319 1.00 24.95 O ATOM 5 CB SER A 1 17.363 13.339 39.191 1.00 25.60 C ATOM 6 OG SER A 1 16.127 12.954 38.613 1.00 25.54 O ATOM 7 HA SER A 1 18.070 14.259 41.008 1.00 0.00 H ATOM 8 HB2 SER A 1 18.049 12.492 39.170 1.00 0.00 H ATOM 9 HB3 SER A 1 17.787 14.163 38.617 1.00 0.00 H ATOM 10 HG SER A 1 15.741 12.204 39.131 1.00 0.00 H ATOM 11 HN3 SER A 1 15.987 12.149 41.171 1.00 0.00 H ATOM 12 HN2 SER A 1 16.721 12.931 42.489 1.00 0.00 H ATOM 13 HN1 SER A 1 17.647 11.939 41.466 1.00 0.00 H ATOM 14 N LEU A 2 16.180 15.922 40.034 1.00 25.59 N ATOM 15 CA LEU A 2 15.145 16.944 40.005 1.00 25.92 C ATOM 16 C LEU A 2 13.856 16.408 39.400 1.00 25.55 C ATOM 17 O LEU A 2 12.775 16.925 39.668 1.00 25.22 O ATOM 18 CB LEU A 2 15.621 18.171 39.218 1.00 26.90 C ATOM 19 CG LEU A 2 16.629 19.063 39.944 1.00 27.74 C ATOM 20 CD1 LEU A 2 16.016 19.500 41.267 1.00 28.87 C ATOM 21 CD2 LEU A 2 17.938 18.318 40.180 1.00 28.61 C ATOM 22 HA LEU A 2 14.943 17.238 41.035 1.00 0.00 H ATOM 23 HB2 LEU A 2 16.084 17.821 38.296 1.00 0.00 H ATOM 24 HB3 LEU A 2 14.747 18.777 38.977 1.00 0.00 H ATOM 25 HG LEU A 2 16.855 19.937 39.333 1.00 0.00 H ATOM 26 HD21 LEU A 2 17.747 17.434 40.789 1.00 0.00 H ATOM 27 HD22 LEU A 2 18.361 18.016 39.222 1.00 0.00 H ATOM 28 HD23 LEU A 2 18.639 18.973 40.698 1.00 0.00 H ATOM 29 HD11 LEU A 2 15.097 20.054 41.075 1.00 0.00 H ATOM 30 HD12 LEU A 2 15.792 18.620 41.870 1.00 0.00 H ATOM 31 HD13 LEU A 2 16.721 20.138 41.800 1.00 0.00 H ATOM 32 H LEU A 2 17.074 16.086 39.529 1.00 0.00 H ATOM 33 N LEU A 3 13.970 15.365 38.585 1.00 25.32 N ATOM 34 CA LEU A 3 12.793 14.770 37.969 1.00 25.39 C ATOM 35 C LEU A 3 11.867 14.183 39.036 1.00 24.79 C ATOM 36 O LEU A 3 10.673 14.487 39.067 1.00 25.08 O ATOM 37 CB LEU A 3 13.204 13.673 36.990 1.00 25.81 C ATOM 38 CG LEU A 3 12.038 13.001 36.262 1.00 27.01 C ATOM 39 CD1 LEU A 3 11.279 14.033 35.432 1.00 27.82 C ATOM 40 CD2 LEU A 3 12.574 11.899 35.371 1.00 27.46 C ATOM 41 HA LEU A 3 12.260 15.552 37.428 1.00 0.00 H ATOM 42 HB2 LEU A 3 13.864 14.113 36.242 1.00 0.00 H ATOM 43 HB3 LEU A 3 13.746 12.907 37.545 1.00 0.00 H ATOM 44 HG LEU A 3 11.351 12.570 36.990 1.00 0.00 H ATOM 45 HD21 LEU A 3 13.263 12.326 34.642 1.00 0.00 H ATOM 46 HD22 LEU A 3 13.098 11.163 35.981 1.00 0.00 H ATOM 47 HD23 LEU A 3 11.745 11.418 34.851 1.00 0.00 H ATOM 48 HD11 LEU A 3 10.892 14.812 36.089 1.00 0.00 H ATOM 49 HD12 LEU A 3 11.954 14.476 34.699 1.00 0.00 H ATOM 50 HD13 LEU A 3 10.451 13.546 34.917 1.00 0.00 H ATOM 51 H LEU A 3 14.911 14.969 38.385 1.00 0.00 H ATOM 52 N GLU A 4 12.422 13.338 39.902 1.00 24.41 N ATOM 53 CA GLU A 4 11.646 12.715 40.973 1.00 24.41 C ATOM 54 C GLU A 4 11.160 13.749 41.986 1.00 23.79 C ATOM 55 O GLU A 4 10.015 13.707 42.433 1.00 23.95 O ATOM 56 CB GLU A 4 12.485 11.667 41.715 1.00 25.28 C ATOM 57 CG GLU A 4 12.801 10.391 40.942 1.00 26.91 C ATOM 58 CD GLU A 4 13.898 10.563 39.910 1.00 28.08 C ATOM 59 OE1 GLU A 4 14.872 11.293 40.184 1.00 28.43 O ATOM 60 OE2 GLU A 4 13.793 9.948 38.826 1.00 29.80 O ATOM 61 HA GLU A 4 10.785 12.239 40.503 1.00 0.00 H ATOM 62 HB2 GLU A 4 13.431 12.132 41.991 1.00 0.00 H ATOM 63 HB3 GLU A 4 11.943 11.384 42.618 1.00 0.00 H ATOM 64 HG2 GLU A 4 13.113 9.625 41.653 1.00 0.00 H ATOM 65 HG3 GLU A 4 11.895 10.064 40.431 1.00 0.00 H ATOM 66 H GLU A 4 13.434 13.115 39.814 1.00 0.00 H ATOM 67 N PHE A 5 12.045 14.670 42.354 1.00 23.16 N ATOM 68 CA PHE A 5 11.710 15.712 43.325 1.00 22.19 C ATOM 69 C PHE A 5 10.585 16.596 42.784 1.00 22.26 C ATOM 70 O PHE A 5 9.642 16.926 43.505 1.00 21.96 O ATOM 71 CB PHE A 5 12.967 16.537 43.640 1.00 21.15 C ATOM 72 CG PHE A 5 12.784 17.563 44.733 1.00 20.49 C ATOM 73 CD1 PHE A 5 11.947 17.316 45.816 1.00 20.41 C ATOM 74 CD2 PHE A 5 13.489 18.764 44.693 1.00 20.19 C ATOM 75 CE1 PHE A 5 11.814 18.255 46.851 1.00 20.49 C ATOM 76 CE2 PHE A 5 13.367 19.708 45.717 1.00 20.07 C ATOM 77 CZ PHE A 5 12.525 19.449 46.799 1.00 19.95 C ATOM 78 HA PHE A 5 11.356 15.254 44.248 1.00 0.00 H ATOM 79 HB2 PHE A 5 13.757 15.851 43.945 1.00 0.00 H ATOM 80 HB3 PHE A 5 13.270 17.057 42.731 1.00 0.00 H ATOM 81 HD2 PHE A 5 14.147 18.971 43.849 1.00 0.00 H ATOM 82 HE2 PHE A 5 13.927 20.642 45.670 1.00 0.00 H ATOM 83 HZ PHE A 5 12.425 20.180 47.601 1.00 0.00 H ATOM 84 HE1 PHE A 5 11.155 18.049 47.694 1.00 0.00 H ATOM 85 HD1 PHE A 5 11.387 16.382 45.862 1.00 0.00 H ATOM 86 H PHE A 5 12.999 14.649 41.941 1.00 0.00 H ATOM 87 N GLY A 6 10.680 16.961 41.509 1.00 22.17 N ATOM 88 CA GLY A 6 9.650 17.783 40.900 1.00 22.90 C ATOM 89 C GLY A 6 8.311 17.072 40.893 1.00 23.18 C ATOM 90 O GLY A 6 7.264 17.696 41.054 1.00 22.94 O ATOM 91 HA3 GLY A 6 9.937 18.010 39.873 1.00 0.00 H ATOM 92 HA2 GLY A 6 9.557 18.711 41.464 1.00 0.00 H ATOM 93 H GLY A 6 11.498 16.655 40.944 1.00 0.00 H ATOM 94 N LYS A 7 8.341 15.755 40.707 1.00 23.67 N ATOM 95 CA LYS A 7 7.117 14.964 40.689 1.00 24.26 C ATOM 96 C LYS A 7 6.476 14.980 42.075 1.00 23.70 C ATOM 97 O LYS A 7 5.266 15.156 42.206 1.00 23.63 O ATOM 98 CB LYS A 7 7.422 13.523 40.265 1.00 25.31 C ATOM 99 CG LYS A 7 6.190 12.688 39.941 1.00 27.81 C ATOM 100 CD LYS A 7 6.587 11.317 39.402 1.00 29.41 C ATOM 101 CE LYS A 7 5.408 10.594 38.756 1.00 31.00 C ATOM 102 NZ LYS A 7 4.278 10.353 39.701 1.00 32.52 N ATOM 103 HA LYS A 7 6.424 15.397 39.968 1.00 0.00 H ATOM 104 HB2 LYS A 7 8.055 13.555 39.378 1.00 0.00 H ATOM 105 HB3 LYS A 7 7.961 13.035 41.077 1.00 0.00 H ATOM 106 HG2 LYS A 7 5.598 12.558 40.847 1.00 0.00 H ATOM 107 HG3 LYS A 7 5.594 13.208 39.191 1.00 0.00 H ATOM 108 HD2 LYS A 7 7.373 11.445 38.657 1.00 0.00 H ATOM 109 HD3 LYS A 7 6.964 10.710 40.225 1.00 0.00 H ATOM 110 HE2 LYS A 7 5.755 9.632 38.378 1.00 0.00 H ATOM 111 HE3 LYS A 7 5.043 11.199 37.926 1.00 0.00 H ATOM 112 HZ1 LYS A 7 4.610 9.768 40.494 1.00 0.00 H ATOM 113 HZ2 LYS A 7 3.929 11.264 40.062 1.00 0.00 H ATOM 114 HZ3 LYS A 7 3.510 9.860 39.203 1.00 0.00 H ATOM 115 H LYS A 7 9.256 15.280 40.572 1.00 0.00 H ATOM 116 N MET A 8 7.293 14.793 43.109 1.00 23.57 N ATOM 117 CA MET A 8 6.791 14.801 44.484 1.00 23.03 C ATOM 118 C MET A 8 6.153 16.140 44.814 1.00 22.74 C ATOM 119 O MET A 8 5.091 16.201 45.430 1.00 22.45 O ATOM 120 CB MET A 8 7.921 14.575 45.484 1.00 22.95 C ATOM 121 CG MET A 8 8.497 13.185 45.537 1.00 23.09 C ATOM 122 SD MET A 8 9.671 13.131 46.916 1.00 22.58 S ATOM 123 CE MET A 8 10.285 11.449 46.783 1.00 21.52 C ATOM 124 HA MET A 8 6.058 13.998 44.558 1.00 0.00 H ATOM 125 HB2 MET A 8 8.730 15.261 45.232 1.00 0.00 H ATOM 126 HB3 MET A 8 7.539 14.815 46.476 1.00 0.00 H ATOM 127 HG2 MET A 8 9.010 12.959 44.602 1.00 0.00 H ATOM 128 HG3 MET A 8 7.701 12.458 45.698 1.00 0.00 H ATOM 129 HE1 MET A 8 9.455 10.751 46.891 1.00 0.00 H ATOM 130 HE2 MET A 8 10.753 11.310 45.808 1.00 0.00 H ATOM 131 HE3 MET A 8 11.019 11.268 47.569 1.00 0.00 H ATOM 132 H MET A 8 8.307 14.638 42.937 1.00 0.00 H ATOM 133 N ILE A 9 6.823 17.213 44.412 1.00 22.23 N ATOM 134 CA ILE A 9 6.334 18.556 44.680 1.00 22.19 C ATOM 135 C ILE A 9 4.964 18.783 44.055 1.00 22.63 C ATOM 136 O ILE A 9 4.054 19.289 44.709 1.00 22.03 O ATOM 137 CB ILE A 9 7.328 19.615 44.165 1.00 21.78 C ATOM 138 CG1 ILE A 9 8.642 19.497 44.945 1.00 21.61 C ATOM 139 CG2 ILE A 9 6.744 21.011 44.336 1.00 21.27 C ATOM 140 CD1 ILE A 9 9.741 20.406 44.447 1.00 21.81 C ATOM 141 HA ILE A 9 6.239 18.658 45.761 1.00 0.00 H ATOM 142 HB ILE A 9 7.518 19.446 43.105 1.00 0.00 H ATOM 143 HG12 ILE A 9 8.443 19.740 45.989 1.00 0.00 H ATOM 144 HG13 ILE A 9 8.991 18.467 44.873 1.00 0.00 H ATOM 145 HD11 ILE A 9 9.963 20.169 43.407 1.00 0.00 H ATOM 146 HD12 ILE A 9 9.415 21.443 44.523 1.00 0.00 H ATOM 147 HD13 ILE A 9 10.635 20.259 45.053 1.00 0.00 H ATOM 148 HG21 ILE A 9 5.816 21.087 43.770 1.00 0.00 H ATOM 149 HG22 ILE A 9 6.543 21.193 45.392 1.00 0.00 H ATOM 150 HG23 ILE A 9 7.457 21.749 43.968 1.00 0.00 H ATOM 151 H ILE A 9 7.717 17.091 43.894 1.00 0.00 H ATOM 152 N LEU A 10 4.813 18.391 42.794 1.00 23.23 N ATOM 153 CA LEU A 10 3.536 18.560 42.111 1.00 24.23 C ATOM 154 C LEU A 10 2.438 17.759 42.800 1.00 24.82 C ATOM 155 O LEU A 10 1.313 18.238 42.957 1.00 24.81 O ATOM 156 CB LEU A 10 3.652 18.119 40.648 1.00 24.50 C ATOM 157 CG LEU A 10 2.358 18.130 39.826 1.00 25.14 C ATOM 158 CD1 LEU A 10 1.774 19.539 39.777 1.00 25.56 C ATOM 159 CD2 LEU A 10 2.665 17.632 38.423 1.00 25.68 C ATOM 160 HA LEU A 10 3.273 19.617 42.150 1.00 0.00 H ATOM 161 HB2 LEU A 10 4.363 18.784 40.157 1.00 0.00 H ATOM 162 HB3 LEU A 10 4.042 17.101 40.638 1.00 0.00 H ATOM 163 HG LEU A 10 1.621 17.476 40.292 1.00 0.00 H ATOM 164 HD21 LEU A 10 3.403 18.287 37.960 1.00 0.00 H ATOM 165 HD22 LEU A 10 3.060 16.618 38.477 1.00 0.00 H ATOM 166 HD23 LEU A 10 1.751 17.636 37.829 1.00 0.00 H ATOM 167 HD11 LEU A 10 1.556 19.876 40.790 1.00 0.00 H ATOM 168 HD12 LEU A 10 2.495 20.214 39.316 1.00 0.00 H ATOM 169 HD13 LEU A 10 0.856 19.530 39.190 1.00 0.00 H ATOM 170 H LEU A 10 5.614 17.959 42.290 1.00 0.00 H ATOM 171 N GLU A 11 2.765 16.538 43.211 1.00 24.90 N ATOM 172 CA GLU A 11 1.796 15.674 43.872 1.00 25.37 C ATOM 173 C GLU A 11 1.379 16.206 45.236 1.00 24.87 C ATOM 174 O GLU A 11 0.207 16.158 45.593 1.00 25.32 O ATOM 175 CB GLU A 11 2.364 14.261 44.037 1.00 25.98 C ATOM 176 CG GLU A 11 2.755 13.591 42.725 1.00 27.45 C ATOM 177 CD GLU A 11 3.269 12.173 42.910 1.00 28.45 C ATOM 178 OE1 GLU A 11 4.015 11.926 43.881 1.00 28.52 O ATOM 179 OE2 GLU A 11 2.940 11.305 42.069 1.00 29.34 O ATOM 180 HA GLU A 11 0.912 15.651 43.234 1.00 0.00 H ATOM 181 HB2 GLU A 11 3.250 14.319 44.669 1.00 0.00 H ATOM 182 HB3 GLU A 11 1.610 13.644 44.526 1.00 0.00 H ATOM 183 HG2 GLU A 11 1.880 13.561 42.076 1.00 0.00 H ATOM 184 HG3 GLU A 11 3.537 14.185 42.251 1.00 0.00 H ATOM 185 H GLU A 11 3.734 16.192 43.057 1.00 0.00 H ATOM 186 N GLU A 12 2.341 16.723 45.993 1.00 24.22 N ATOM 187 CA GLU A 12 2.054 17.236 47.328 1.00 24.04 C ATOM 188 C GLU A 12 1.443 18.634 47.380 1.00 24.43 C ATOM 189 O GLU A 12 0.564 18.898 48.205 1.00 24.25 O ATOM 190 CB GLU A 12 3.329 17.227 48.179 1.00 23.86 C ATOM 191 CG GLU A 12 3.902 15.845 48.448 1.00 24.00 C ATOM 192 CD GLU A 12 2.915 14.924 49.143 1.00 24.54 C ATOM 193 OE1 GLU A 12 2.270 15.373 50.113 1.00 24.06 O ATOM 194 OE2 GLU A 12 2.796 13.752 48.722 1.00 24.04 O ATOM 195 HA GLU A 12 1.294 16.561 47.722 1.00 0.00 H ATOM 196 HB2 GLU A 12 4.087 17.815 47.662 1.00 0.00 H ATOM 197 HB3 GLU A 12 3.101 17.693 49.138 1.00 0.00 H ATOM 198 HG2 GLU A 12 4.188 15.395 47.497 1.00 0.00 H ATOM 199 HG3 GLU A 12 4.784 15.950 49.079 1.00 0.00 H ATOM 200 H GLU A 12 3.314 16.763 45.628 1.00 0.00 H ATOM 201 N THR A 13 1.896 19.524 46.503 1.00 24.34 N ATOM 202 CA THR A 13 1.410 20.902 46.512 1.00 25.06 C ATOM 203 C THR A 13 0.410 21.267 45.427 1.00 25.75 C ATOM 204 O THR A 13 -0.311 22.257 45.559 1.00 25.97 O ATOM 205 CB THR A 13 2.571 21.896 46.394 1.00 24.73 C ATOM 206 OG1 THR A 13 3.100 21.855 45.061 1.00 24.43 O ATOM 207 CG2 THR A 13 3.671 21.542 47.387 1.00 23.75 C ATOM 208 HA THR A 13 0.891 20.967 47.468 1.00 0.00 H ATOM 209 HB THR A 13 2.204 22.898 46.615 1.00 0.00 H ATOM 210 HG1 THR A 13 3.425 20.941 44.864 1.00 0.00 H ATOM 211 HG23 THR A 13 3.269 21.573 48.400 1.00 0.00 H ATOM 212 HG21 THR A 13 4.043 20.540 47.173 1.00 0.00 H ATOM 213 HG22 THR A 13 4.486 22.260 47.296 1.00 0.00 H ATOM 214 H THR A 13 2.606 19.236 45.800 1.00 0.00 H ATOM 215 N GLY A 14 0.382 20.488 44.351 1.00 26.65 N ATOM 216 CA GLY A 14 -0.528 20.788 43.262 1.00 27.81 C ATOM 217 C GLY A 14 0.050 21.858 42.353 1.00 28.30 C ATOM 218 O GLY A 14 -0.593 22.286 41.392 1.00 29.24 O ATOM 219 HA3 GLY A 14 -1.473 21.141 43.673 1.00 0.00 H ATOM 220 HA2 GLY A 14 -0.702 19.882 42.682 1.00 0.00 H ATOM 221 H GLY A 14 1.013 19.663 44.290 1.00 0.00 H ATOM 222 N LYS A 16 1.270 22.292 42.662 1.00 28.43 N ATOM 223 CA LYS A 16 1.965 23.314 41.881 1.00 28.37 C ATOM 224 C LYS A 16 3.111 22.680 41.107 1.00 28.29 C ATOM 225 O LYS A 16 3.774 21.770 41.607 1.00 27.35 O ATOM 226 CB LYS A 16 2.566 24.385 42.799 1.00 28.94 C ATOM 227 CG LYS A 16 1.582 25.243 43.569 1.00 29.87 C ATOM 228 CD LYS A 16 2.343 26.201 44.482 1.00 30.27 C ATOM 229 CE LYS A 16 1.426 27.210 45.151 1.00 30.97 C ATOM 230 NZ LYS A 16 0.837 28.156 44.164 1.00 31.54 N ATOM 231 HA LYS A 16 1.239 23.766 41.205 1.00 0.00 H ATOM 232 HB2 LYS A 16 3.204 23.880 43.524 1.00 0.00 H ATOM 233 HB3 LYS A 16 3.173 25.048 42.182 1.00 0.00 H ATOM 234 HG2 LYS A 16 0.974 25.815 42.869 1.00 0.00 H ATOM 235 HG3 LYS A 16 0.936 24.604 44.171 1.00 0.00 H ATOM 236 HD2 LYS A 16 2.850 25.622 45.254 1.00 0.00 H ATOM 237 HD3 LYS A 16 3.082 26.739 43.888 1.00 0.00 H ATOM 238 HE2 LYS A 16 1.999 27.776 45.885 1.00 0.00 H ATOM 239 HE3 LYS A 16 0.620 26.676 45.654 1.00 0.00 H ATOM 240 HZ1 LYS A 16 1.600 28.674 43.684 1.00 0.00 H ATOM 241 HZ2 LYS A 16 0.283 27.623 43.463 1.00 0.00 H ATOM 242 HZ3 LYS A 16 0.217 28.829 44.658 1.00 0.00 H ATOM 243 H LYS A 16 1.748 21.888 43.492 1.00 0.00 H ATOM 244 N LEU A 17 3.348 23.152 39.888 1.00 27.88 N ATOM 245 CA LEU A 17 4.465 22.634 39.112 1.00 28.25 C ATOM 246 C LEU A 17 5.703 23.119 39.856 1.00 28.07 C ATOM 247 O LEU A 17 5.825 24.311 40.155 1.00 27.74 O ATOM 248 CB LEU A 17 4.451 23.201 37.688 1.00 28.96 C ATOM 249 CG LEU A 17 3.349 22.677 36.764 1.00 29.93 C ATOM 250 CD1 LEU A 17 3.382 23.445 35.449 1.00 30.34 C ATOM 251 CD2 LEU A 17 3.542 21.187 36.524 1.00 30.35 C ATOM 252 HA LEU A 17 4.428 21.549 39.016 1.00 0.00 H ATOM 253 HB2 LEU A 17 4.338 24.283 37.761 1.00 0.00 H ATOM 254 HB3 LEU A 17 5.411 22.968 37.227 1.00 0.00 H ATOM 255 HG LEU A 17 2.376 22.826 37.232 1.00 0.00 H ATOM 256 HD21 LEU A 17 4.513 21.018 36.059 1.00 0.00 H ATOM 257 HD22 LEU A 17 3.496 20.658 37.476 1.00 0.00 H ATOM 258 HD23 LEU A 17 2.754 20.821 35.866 1.00 0.00 H ATOM 259 HD11 LEU A 17 3.220 24.505 35.645 1.00 0.00 H ATOM 260 HD12 LEU A 17 4.353 23.306 34.973 1.00 0.00 H ATOM 261 HD13 LEU A 17 2.597 23.071 34.792 1.00 0.00 H ATOM 262 H LEU A 17 2.736 23.891 39.488 1.00 0.00 H ATOM 263 N ALA A 18 6.603 22.196 40.178 1.00 28.18 N ATOM 264 CA ALA A 18 7.825 22.534 40.901 1.00 28.37 C ATOM 265 C ALA A 18 8.481 23.769 40.288 1.00 28.61 C ATOM 266 O ALA A 18 8.884 24.694 40.995 1.00 27.59 O ATOM 267 CB ALA A 18 8.784 21.350 40.871 1.00 28.78 C ATOM 268 HA ALA A 18 7.574 22.760 41.937 1.00 0.00 H ATOM 269 HB1 ALA A 18 8.311 20.489 41.343 1.00 0.00 H ATOM 270 HB2 ALA A 18 9.030 21.110 39.837 1.00 0.00 H ATOM 271 HB3 ALA A 18 9.694 21.608 41.412 1.00 0.00 H ATOM 272 H ALA A 18 6.432 21.206 39.908 1.00 0.00 H ATOM 273 N ILE A 19 8.577 23.776 38.963 1.00 29.07 N ATOM 274 CA ILE A 19 9.158 24.893 38.234 1.00 30.20 C ATOM 275 C ILE A 19 7.995 25.596 37.542 1.00 30.80 C ATOM 276 O ILE A 19 7.196 24.951 36.863 1.00 32.16 O ATOM 277 CB ILE A 19 10.144 24.402 37.157 1.00 30.45 C ATOM 278 CG1 ILE A 19 11.141 23.432 37.784 1.00 30.70 C ATOM 279 CG2 ILE A 19 10.872 25.582 36.531 1.00 30.68 C ATOM 280 CD1 ILE A 19 12.129 22.820 36.807 1.00 31.35 C ATOM 281 HA ILE A 19 9.703 25.546 38.915 1.00 0.00 H ATOM 282 HB ILE A 19 9.591 23.886 36.372 1.00 0.00 H ATOM 283 HG12 ILE A 19 11.705 23.970 38.546 1.00 0.00 H ATOM 284 HG13 ILE A 19 10.580 22.623 38.252 1.00 0.00 H ATOM 285 HD11 ILE A 19 11.586 22.265 36.043 1.00 0.00 H ATOM 286 HD12 ILE A 19 12.712 23.612 36.337 1.00 0.00 H ATOM 287 HD13 ILE A 19 12.797 22.145 37.342 1.00 0.00 H ATOM 288 HG21 ILE A 19 10.146 26.252 36.071 1.00 0.00 H ATOM 289 HG22 ILE A 19 11.425 26.117 37.303 1.00 0.00 H ATOM 290 HG23 ILE A 19 11.565 25.219 35.772 1.00 0.00 H ATOM 291 H ILE A 19 8.225 22.956 38.429 1.00 0.00 H ATOM 292 N PRO A 20 7.897 26.927 37.678 1.00 30.72 N ATOM 293 CA PRO A 20 8.784 27.827 38.420 1.00 30.48 C ATOM 294 C PRO A 20 8.349 28.191 39.844 1.00 29.72 C ATOM 295 O PRO A 20 8.947 29.074 40.461 1.00 30.01 O ATOM 296 CB PRO A 20 8.820 29.051 37.521 1.00 31.25 C ATOM 297 CG PRO A 20 7.396 29.138 37.092 1.00 31.54 C ATOM 298 CD PRO A 20 7.034 27.699 36.762 1.00 31.47 C ATOM 299 HA PRO A 20 9.746 27.350 38.608 1.00 0.00 H ATOM 300 HD3 PRO A 20 5.980 27.504 36.958 1.00 0.00 H ATOM 301 HD2 PRO A 20 7.258 27.466 35.721 1.00 0.00 H ATOM 302 HG3 PRO A 20 7.292 29.777 36.215 1.00 0.00 H ATOM 303 HG2 PRO A 20 6.769 29.523 37.897 1.00 0.00 H ATOM 304 HB2 PRO A 20 9.127 29.941 38.070 1.00 0.00 H ATOM 305 HB3 PRO A 20 9.485 28.903 36.670 1.00 0.00 H ATOM 306 N SER A 21 7.328 27.517 40.370 1.00 28.47 N ATOM 307 CA SER A 21 6.830 27.820 41.715 1.00 27.59 C ATOM 308 C SER A 21 7.849 27.722 42.849 1.00 26.44 C ATOM 309 O SER A 21 7.808 28.510 43.800 1.00 25.75 O ATOM 310 CB SER A 21 5.634 26.925 42.049 1.00 28.04 C ATOM 311 OG SER A 21 4.497 27.306 41.302 1.00 30.25 O ATOM 312 HA SER A 21 6.553 28.873 41.662 1.00 0.00 H ATOM 313 HB2 SER A 21 5.409 27.011 43.112 1.00 0.00 H ATOM 314 HB3 SER A 21 5.885 25.890 41.815 1.00 0.00 H ATOM 315 HG SER A 21 4.263 28.244 41.515 1.00 0.00 H ATOM 316 H SER A 21 6.876 26.762 39.816 1.00 0.00 H ATOM 317 N TYR A 22 8.763 26.764 42.759 1.00 24.73 N ATOM 318 CA TYR A 22 9.755 26.590 43.815 1.00 24.04 C ATOM 319 C TYR A 22 11.204 26.623 43.342 1.00 24.00 C ATOM 320 O TYR A 22 12.108 26.290 44.108 1.00 24.35 O ATOM 321 CB TYR A 22 9.497 25.272 44.549 1.00 22.86 C ATOM 322 CG TYR A 22 8.207 25.232 45.335 1.00 21.88 C ATOM 323 CD1 TYR A 22 8.125 25.817 46.597 1.00 21.26 C ATOM 324 CD2 TYR A 22 7.071 24.605 44.823 1.00 21.41 C ATOM 325 CE1 TYR A 22 6.941 25.779 47.332 1.00 20.92 C ATOM 326 CE2 TYR A 22 5.880 24.561 45.550 1.00 21.49 C ATOM 327 CZ TYR A 22 5.824 25.151 46.806 1.00 20.73 C ATOM 328 OH TYR A 22 4.652 25.109 47.536 1.00 20.52 O ATOM 329 HA TYR A 22 9.633 27.448 44.476 1.00 0.00 H ATOM 330 HB3 TYR A 22 10.322 25.100 45.240 1.00 0.00 H ATOM 331 HB2 TYR A 22 9.471 24.471 43.811 1.00 0.00 H ATOM 332 HD2 TYR A 22 7.114 24.141 43.838 1.00 0.00 H ATOM 333 HE2 TYR A 22 5.001 24.068 45.135 1.00 0.00 H ATOM 334 HE1 TYR A 22 6.894 26.242 48.318 1.00 0.00 H ATOM 335 HD1 TYR A 22 9.001 26.312 47.016 1.00 0.00 H ATOM 336 HH TYR A 22 4.786 25.573 48.400 1.00 0.00 H ATOM 337 H TYR A 22 8.772 26.134 41.932 1.00 0.00 H ATOM 338 N SER A 23 11.433 27.030 42.095 1.00 23.62 N ATOM 339 CA SER A 23 12.794 27.076 41.562 1.00 23.41 C ATOM 340 C SER A 23 13.500 28.433 41.657 1.00 23.74 C ATOM 341 O SER A 23 14.684 28.542 41.332 1.00 24.34 O ATOM 342 CB SER A 23 12.794 26.596 40.103 1.00 22.62 C ATOM 343 OG SER A 23 11.858 27.327 39.338 1.00 21.65 O ATOM 344 HA SER A 23 13.371 26.411 42.205 1.00 0.00 H ATOM 345 HB2 SER A 23 12.533 25.538 40.074 1.00 0.00 H ATOM 346 HB3 SER A 23 13.789 26.735 39.680 1.00 0.00 H ATOM 347 HG SER A 23 12.095 28.288 39.360 1.00 0.00 H ATOM 348 H SER A 23 10.635 27.318 41.493 1.00 0.00 H ATOM 349 N SER A 24 12.787 29.467 42.095 1.00 23.73 N ATOM 350 CA SER A 24 13.386 30.797 42.234 1.00 24.17 C ATOM 351 C SER A 24 12.758 31.505 43.423 1.00 23.61 C ATOM 352 O SER A 24 12.695 32.738 43.477 1.00 24.65 O ATOM 353 CB SER A 24 13.170 31.626 40.959 1.00 24.23 C ATOM 354 OG SER A 24 11.797 31.924 40.757 1.00 26.76 O ATOM 355 HA SER A 24 14.459 30.688 42.393 1.00 0.00 H ATOM 356 HB2 SER A 24 13.540 31.062 40.103 1.00 0.00 H ATOM 357 HB3 SER A 24 13.726 32.559 41.045 1.00 0.00 H ATOM 358 HG SER A 24 11.286 31.080 40.672 1.00 0.00 H ATOM 359 H SER A 24 11.787 29.329 42.343 1.00 0.00 H ATOM 360 N TYR A 25 12.312 30.711 44.391 1.00 22.02 N ATOM 361 CA TYR A 25 11.651 31.233 45.579 1.00 20.51 C ATOM 362 C TYR A 25 12.604 31.551 46.720 1.00 19.68 C ATOM 363 O TYR A 25 13.421 30.723 47.108 1.00 18.66 O ATOM 364 CB TYR A 25 10.602 30.223 46.045 1.00 20.46 C ATOM 365 CG TYR A 25 9.660 30.734 47.109 1.00 19.75 C ATOM 366 CD1 TYR A 25 10.046 30.783 48.449 1.00 20.28 C ATOM 367 CD2 TYR A 25 8.369 31.146 46.777 1.00 19.76 C ATOM 368 CE1 TYR A 25 9.159 31.224 49.436 1.00 19.48 C ATOM 369 CE2 TYR A 25 7.481 31.589 47.747 1.00 19.60 C ATOM 370 CZ TYR A 25 7.879 31.623 49.075 1.00 19.97 C ATOM 371 OH TYR A 25 6.984 32.041 50.038 1.00 19.32 O ATOM 372 HA TYR A 25 11.190 32.180 45.299 1.00 0.00 H ATOM 373 HB3 TYR A 25 11.123 29.352 46.443 1.00 0.00 H ATOM 374 HB2 TYR A 25 10.008 29.927 45.180 1.00 0.00 H ATOM 375 HD2 TYR A 25 8.051 31.119 45.735 1.00 0.00 H ATOM 376 HE2 TYR A 25 6.477 31.908 47.467 1.00 0.00 H ATOM 377 HE1 TYR A 25 9.470 31.254 50.480 1.00 0.00 H ATOM 378 HD1 TYR A 25 11.053 30.473 48.730 1.00 0.00 H ATOM 379 HH TYR A 25 7.418 32.008 50.927 1.00 0.00 H ATOM 380 H TYR A 25 12.439 29.683 44.297 1.00 0.00 H ATOM 381 N GLY A 26 12.488 32.768 47.245 1.00 19.40 N ATOM 382 CA GLY A 26 13.324 33.190 48.354 1.00 19.31 C ATOM 383 C GLY A 26 14.820 33.067 48.141 1.00 19.39 C ATOM 384 O GLY A 26 15.324 33.196 47.021 1.00 19.39 O ATOM 385 HA3 GLY A 26 13.059 32.585 49.221 1.00 0.00 H ATOM 386 HA2 GLY A 26 13.101 34.237 48.561 1.00 0.00 H ATOM 387 H GLY A 26 11.786 33.428 46.854 1.00 0.00 H ATOM 388 N CYS A 27 15.536 32.804 49.229 1.00 19.32 N ATOM 389 CA CYS A 27 16.986 32.690 49.177 1.00 20.07 C ATOM 390 C CYS A 27 17.540 31.292 48.955 1.00 20.57 C ATOM 391 O CYS A 27 18.681 31.143 48.507 1.00 20.56 O ATOM 392 CB CYS A 27 17.595 33.237 50.464 1.00 20.54 C ATOM 393 SG CYS A 27 17.535 35.042 50.625 1.00 20.65 S ATOM 394 HA CYS A 27 17.265 33.269 48.297 1.00 0.00 H ATOM 395 HB2 CYS A 27 18.639 32.927 50.504 1.00 0.00 H ATOM 396 HB3 CYS A 27 17.056 32.803 51.306 1.00 0.00 H ATOM 397 H CYS A 27 15.049 32.677 50.139 1.00 0.00 H ATOM 398 N TYR A 28 16.748 30.269 49.265 1.00 20.23 N ATOM 399 CA TYR A 28 17.226 28.902 49.133 1.00 20.61 C ATOM 400 C TYR A 28 16.533 27.970 48.151 1.00 20.79 C ATOM 401 O TYR A 28 17.054 26.895 47.863 1.00 21.50 O ATOM 402 CB TYR A 28 17.250 28.238 50.513 1.00 20.68 C ATOM 403 CG TYR A 28 18.275 28.846 51.440 1.00 21.59 C ATOM 404 CD1 TYR A 28 17.964 29.949 52.237 1.00 22.14 C ATOM 405 CD2 TYR A 28 19.577 28.349 51.481 1.00 22.03 C ATOM 406 CE1 TYR A 28 18.928 30.541 53.048 1.00 22.97 C ATOM 407 CE2 TYR A 28 20.546 28.933 52.283 1.00 22.99 C ATOM 408 CZ TYR A 28 20.217 30.028 53.061 1.00 23.13 C ATOM 409 OH TYR A 28 21.187 30.618 53.831 1.00 24.65 O ATOM 410 HA TYR A 28 18.212 29.038 48.689 1.00 0.00 H ATOM 411 HB3 TYR A 28 17.479 27.180 50.386 1.00 0.00 H ATOM 412 HB2 TYR A 28 16.265 28.343 50.967 1.00 0.00 H ATOM 413 HD2 TYR A 28 19.838 27.485 50.871 1.00 0.00 H ATOM 414 HE2 TYR A 28 21.559 28.532 52.300 1.00 0.00 H ATOM 415 HE1 TYR A 28 18.672 31.400 53.668 1.00 0.00 H ATOM 416 HD1 TYR A 28 16.952 30.353 52.224 1.00 0.00 H ATOM 417 HH TYR A 28 20.796 31.382 54.324 1.00 0.00 H ATOM 418 H TYR A 28 15.781 30.448 49.604 1.00 0.00 H ATOM 419 N CYS A 29 15.364 28.349 47.650 1.00 21.03 N ATOM 420 CA CYS A 29 14.671 27.486 46.703 1.00 22.12 C ATOM 421 C CYS A 29 15.188 27.801 45.316 1.00 23.90 C ATOM 422 O CYS A 29 14.663 28.670 44.624 1.00 23.90 O ATOM 423 CB CYS A 29 13.170 27.708 46.760 1.00 20.67 C ATOM 424 SG CYS A 29 12.453 27.408 48.401 1.00 19.26 S ATOM 425 HA CYS A 29 14.860 26.442 46.955 1.00 0.00 H ATOM 426 HB2 CYS A 29 12.694 27.034 46.047 1.00 0.00 H ATOM 427 HB3 CYS A 29 12.963 28.740 46.476 1.00 0.00 H ATOM 428 H CYS A 29 14.945 29.258 47.932 1.00 0.00 H ATOM 429 N GLY A 30 16.238 27.083 44.937 1.00 26.36 N ATOM 430 CA GLY A 30 16.875 27.269 43.646 1.00 28.59 C ATOM 431 C GLY A 30 18.323 26.846 43.801 1.00 30.51 C ATOM 432 O GLY A 30 18.636 26.057 44.691 1.00 30.53 O ATOM 433 HA3 GLY A 30 16.820 28.316 43.349 1.00 0.00 H ATOM 434 HA2 GLY A 30 16.383 26.653 42.893 1.00 0.00 H ATOM 435 H GLY A 30 16.617 26.364 45.586 1.00 0.00 H ATOM 436 N TRP A 31 19.212 27.359 42.956 1.00 32.21 N ATOM 437 CA TRP A 31 20.622 26.998 43.059 1.00 34.21 C ATOM 438 C TRP A 31 21.291 27.689 44.242 1.00 34.56 C ATOM 439 O TRP A 31 22.120 27.097 44.931 1.00 35.37 O ATOM 440 CB TRP A 31 21.382 27.371 41.784 1.00 35.11 C ATOM 441 CG TRP A 31 20.920 26.673 40.544 1.00 36.49 C ATOM 442 CD1 TRP A 31 19.934 27.082 39.691 1.00 36.94 C ATOM 443 CD2 TRP A 31 21.459 25.465 39.987 1.00 36.87 C ATOM 444 NE1 TRP A 31 19.831 26.208 38.633 1.00 37.18 N ATOM 445 CE2 TRP A 31 20.756 25.207 38.789 1.00 37.16 C ATOM 446 CE3 TRP A 31 22.471 24.578 40.383 1.00 37.28 C ATOM 447 CZ2 TRP A 31 21.031 24.098 37.981 1.00 37.13 C ATOM 448 CZ3 TRP A 31 22.747 23.472 39.576 1.00 37.35 C ATOM 449 CH2 TRP A 31 22.027 23.244 38.389 1.00 37.50 C ATOM 450 HA TRP A 31 20.657 25.918 43.205 1.00 0.00 H ATOM 451 HB2 TRP A 31 21.274 28.444 41.628 1.00 0.00 H ATOM 452 HB3 TRP A 31 22.434 27.131 41.935 1.00 0.00 H ATOM 453 HE1 TRP A 31 19.160 26.293 37.843 1.00 0.00 H ATOM 454 HD1 TRP A 31 19.319 27.971 39.829 1.00 0.00 H ATOM 455 HZ2 TRP A 31 20.475 23.918 37.061 1.00 0.00 H ATOM 456 HH2 TRP A 31 22.264 22.372 37.780 1.00 0.00 H ATOM 457 HZ3 TRP A 31 23.532 22.775 39.870 1.00 0.00 H ATOM 458 HE3 TRP A 31 23.031 24.749 41.302 1.00 0.00 H ATOM 459 H TRP A 31 18.901 28.021 42.217 1.00 0.00 H ATOM 460 N GLY A 32 20.932 28.948 44.467 1.00 35.15 N ATOM 461 CA GLY A 32 21.519 29.704 45.560 1.00 35.29 C ATOM 462 C GLY A 32 21.471 29.031 46.920 1.00 35.45 C ATOM 463 O GLY A 32 20.804 28.013 47.111 1.00 35.70 O ATOM 464 HA3 GLY A 32 20.988 30.653 45.636 1.00 0.00 H ATOM 465 HA2 GLY A 32 22.564 29.893 45.315 1.00 0.00 H ATOM 466 H GLY A 32 20.223 29.398 43.854 1.00 0.00 H ATOM 467 N GLY A 33 22.192 29.612 47.873 1.00 35.20 N ATOM 468 CA GLY A 33 22.223 29.074 49.218 1.00 34.79 C ATOM 469 C GLY A 33 22.906 30.015 50.193 1.00 34.05 C ATOM 470 O GLY A 33 23.933 29.670 50.774 1.00 34.51 O ATOM 471 HA3 GLY A 33 22.763 28.127 49.206 1.00 0.00 H ATOM 472 HA2 GLY A 33 21.200 28.903 49.552 1.00 0.00 H ATOM 473 H GLY A 33 22.742 30.466 47.650 1.00 0.00 H ATOM 474 N LYS A 34 22.340 31.205 50.374 1.00 33.17 N ATOM 475 CA LYS A 34 22.913 32.189 51.291 1.00 31.92 C ATOM 476 C LYS A 34 21.858 33.054 51.968 1.00 30.21 C ATOM 477 O LYS A 34 20.718 33.147 51.511 1.00 29.75 O ATOM 478 CB LYS A 34 23.888 33.115 50.555 1.00 33.23 C ATOM 479 CG LYS A 34 25.135 32.448 50.015 1.00 34.80 C ATOM 480 CD LYS A 34 26.021 33.464 49.314 1.00 36.10 C ATOM 481 CE LYS A 34 27.221 32.802 48.653 1.00 36.89 C ATOM 482 NZ LYS A 34 28.047 33.786 47.897 1.00 37.60 N ATOM 483 HA LYS A 34 23.431 31.612 52.057 1.00 0.00 H ATOM 484 HB2 LYS A 34 23.357 33.565 49.716 1.00 0.00 H ATOM 485 HB3 LYS A 34 24.198 33.897 51.248 1.00 0.00 H ATOM 486 HG2 LYS A 34 25.688 31.998 50.840 1.00 0.00 H ATOM 487 HG3 LYS A 34 24.848 31.672 49.306 1.00 0.00 H ATOM 488 HD2 LYS A 34 25.435 33.977 48.551 1.00 0.00 H ATOM 489 HD3 LYS A 34 26.376 34.189 50.047 1.00 0.00 H ATOM 490 HE2 LYS A 34 26.867 32.035 47.964 1.00 0.00 H ATOM 491 HE3 LYS A 34 27.839 32.340 49.423 1.00 0.00 H ATOM 492 HZ1 LYS A 34 27.466 34.227 47.156 1.00 0.00 H ATOM 493 HZ2 LYS A 34 28.394 34.518 48.549 1.00 0.00 H ATOM 494 HZ3 LYS A 34 28.855 33.297 47.461 1.00 0.00 H ATOM 495 H LYS A 34 21.472 31.440 49.852 1.00 0.00 H ATOM 496 N GLY A 35 22.258 33.692 53.062 1.00 28.72 N ATOM 497 CA GLY A 35 21.359 34.574 53.782 1.00 27.59 C ATOM 498 C GLY A 35 20.344 33.911 54.688 1.00 26.89 C ATOM 499 O GLY A 35 20.367 32.698 54.912 1.00 26.49 O ATOM 500 HA3 GLY A 35 20.812 35.162 53.046 1.00 0.00 H ATOM 501 HA2 GLY A 35 21.967 35.238 54.396 1.00 0.00 H ATOM 502 H GLY A 35 23.230 33.557 53.407 1.00 0.00 H ATOM 503 N THR A 36 19.445 34.732 55.219 1.00 26.10 N ATOM 504 CA THR A 36 18.397 34.262 56.113 1.00 25.44 C ATOM 505 C THR A 36 17.162 33.885 55.305 1.00 24.53 C ATOM 506 O THR A 36 16.669 34.683 54.505 1.00 23.88 O ATOM 507 CB THR A 36 18.009 35.360 57.118 1.00 26.20 C ATOM 508 OG1 THR A 36 19.172 35.754 57.854 1.00 26.77 O ATOM 509 CG2 THR A 36 16.944 34.857 58.082 1.00 26.01 C ATOM 510 HA THR A 36 18.774 33.394 56.653 1.00 0.00 H ATOM 511 HB THR A 36 17.605 36.212 56.571 1.00 0.00 H ATOM 512 HG1 THR A 36 19.535 34.971 58.339 1.00 0.00 H ATOM 513 HG23 THR A 36 16.059 34.557 57.520 1.00 0.00 H ATOM 514 HG21 THR A 36 17.331 34.001 58.635 1.00 0.00 H ATOM 515 HG22 THR A 36 16.681 35.653 58.779 1.00 0.00 H ATOM 516 H THR A 36 19.491 35.745 54.988 1.00 0.00 H ATOM 517 N PRO A 37 16.657 32.653 55.489 1.00 23.70 N ATOM 518 CA PRO A 37 15.468 32.207 54.758 1.00 23.40 C ATOM 519 C PRO A 37 14.346 33.230 54.926 1.00 23.02 C ATOM 520 O PRO A 37 14.097 33.710 56.034 1.00 23.37 O ATOM 521 CB PRO A 37 15.147 30.867 55.415 1.00 23.11 C ATOM 522 CG PRO A 37 16.499 30.349 55.773 1.00 23.35 C ATOM 523 CD PRO A 37 17.175 31.578 56.354 1.00 23.64 C ATOM 524 HA PRO A 37 15.606 32.107 53.681 1.00 0.00 H ATOM 525 HD3 PRO A 37 16.888 31.734 57.394 1.00 0.00 H ATOM 526 HD2 PRO A 37 18.260 31.503 56.285 1.00 0.00 H ATOM 527 HG3 PRO A 37 17.029 29.986 54.892 1.00 0.00 H ATOM 528 HG2 PRO A 37 16.433 29.549 56.510 1.00 0.00 H ATOM 529 HB2 PRO A 37 14.529 31.001 56.303 1.00 0.00 H ATOM 530 HB3 PRO A 37 14.640 30.198 54.719 1.00 0.00 H ATOM 531 N LYS A 38 13.676 33.562 53.826 1.00 22.58 N ATOM 532 CA LYS A 38 12.611 34.559 53.847 1.00 22.36 C ATOM 533 C LYS A 38 11.372 34.179 54.649 1.00 21.81 C ATOM 534 O LYS A 38 10.755 35.036 55.283 1.00 22.10 O ATOM 535 CB LYS A 38 12.184 34.907 52.420 1.00 22.77 C ATOM 536 CG LYS A 38 13.309 35.419 51.528 1.00 23.60 C ATOM 537 CD LYS A 38 14.072 36.573 52.169 1.00 25.32 C ATOM 538 CE LYS A 38 13.173 37.758 52.469 1.00 26.05 C ATOM 539 NZ LYS A 38 13.943 38.875 53.097 1.00 27.60 N ATOM 540 HA LYS A 38 13.051 35.415 54.358 1.00 0.00 H ATOM 541 HB2 LYS A 38 11.767 34.010 51.961 1.00 0.00 H ATOM 542 HB3 LYS A 38 11.415 35.677 52.473 1.00 0.00 H ATOM 543 HG2 LYS A 38 14.004 34.602 51.335 1.00 0.00 H ATOM 544 HG3 LYS A 38 12.882 35.761 50.585 1.00 0.00 H ATOM 545 HD2 LYS A 38 14.517 36.225 53.101 1.00 0.00 H ATOM 546 HD3 LYS A 38 14.861 36.894 51.488 1.00 0.00 H ATOM 547 HE2 LYS A 38 12.384 37.442 53.151 1.00 0.00 H ATOM 548 HE3 LYS A 38 12.728 38.111 51.539 1.00 0.00 H ATOM 549 HZ1 LYS A 38 14.366 38.545 53.988 1.00 0.00 H ATOM 550 HZ2 LYS A 38 14.695 39.184 52.448 1.00 0.00 H ATOM 551 HZ3 LYS A 38 13.302 39.671 53.290 1.00 0.00 H ATOM 552 H LYS A 38 13.918 33.099 52.927 1.00 0.00 H ATOM 553 N ASP A 39 11.004 32.903 54.611 1.00 21.27 N ATOM 554 CA ASP A 39 9.820 32.433 55.328 1.00 19.96 C ATOM 555 C ASP A 39 9.839 30.912 55.522 1.00 19.31 C ATOM 556 O ASP A 39 10.869 30.275 55.312 1.00 19.04 O ATOM 557 CB ASP A 39 8.554 32.858 54.578 1.00 19.57 C ATOM 558 CG ASP A 39 8.447 32.242 53.190 1.00 19.33 C ATOM 559 OD1 ASP A 39 9.335 31.463 52.797 1.00 19.11 O ATOM 560 OD2 ASP A 39 7.458 32.542 52.492 1.00 19.90 O ATOM 561 HA ASP A 39 9.825 32.889 56.318 1.00 0.00 H ATOM 562 HB2 ASP A 39 7.686 32.552 55.161 1.00 0.00 H ATOM 563 HB3 ASP A 39 8.558 33.943 54.477 1.00 0.00 H ATOM 564 H ASP A 39 11.569 32.225 54.061 1.00 0.00 H ATOM 565 N ALA A 40 8.707 30.340 55.933 1.00 18.99 N ATOM 566 CA ALA A 40 8.619 28.898 56.165 1.00 18.53 C ATOM 567 C ALA A 40 8.988 28.090 54.925 1.00 17.79 C ATOM 568 O ALA A 40 9.765 27.140 55.007 1.00 18.03 O ATOM 569 CB ALA A 40 7.209 28.518 56.639 1.00 19.22 C ATOM 570 HA ALA A 40 9.342 28.654 56.943 1.00 0.00 H ATOM 571 HB1 ALA A 40 6.986 29.042 57.568 1.00 0.00 H ATOM 572 HB2 ALA A 40 6.482 28.801 55.877 1.00 0.00 H ATOM 573 HB3 ALA A 40 7.161 27.442 56.807 1.00 0.00 H ATOM 574 H ALA A 40 7.867 30.932 56.092 1.00 0.00 H ATOM 575 N THR A 41 8.425 28.464 53.782 1.00 17.49 N ATOM 576 CA THR A 41 8.708 27.761 52.536 1.00 16.59 C ATOM 577 C THR A 41 10.199 27.806 52.224 1.00 16.50 C ATOM 578 O THR A 41 10.795 26.791 51.861 1.00 16.19 O ATOM 579 CB THR A 41 7.911 28.370 51.361 1.00 16.45 C ATOM 580 OG1 THR A 41 6.514 28.120 51.558 1.00 16.61 O ATOM 581 CG2 THR A 41 8.336 27.748 50.037 1.00 15.99 C ATOM 582 HA THR A 41 8.400 26.723 52.663 1.00 0.00 H ATOM 583 HB THR A 41 8.109 29.441 51.329 1.00 0.00 H ATOM 584 HG1 THR A 41 6.222 28.535 52.408 1.00 0.00 H ATOM 585 HG23 THR A 41 9.398 27.931 49.875 1.00 0.00 H ATOM 586 HG21 THR A 41 8.152 26.674 50.066 1.00 0.00 H ATOM 587 HG22 THR A 41 7.761 28.195 49.226 1.00 0.00 H ATOM 588 H THR A 41 7.771 29.272 53.775 1.00 0.00 H ATOM 589 N ASP A 42 10.803 28.983 52.370 1.00 16.71 N ATOM 590 CA ASP A 42 12.229 29.133 52.109 1.00 16.83 C ATOM 591 C ASP A 42 13.021 28.249 53.079 1.00 17.21 C ATOM 592 O ASP A 42 14.029 27.660 52.701 1.00 16.44 O ATOM 593 CB ASP A 42 12.641 30.601 52.264 1.00 17.66 C ATOM 594 CG ASP A 42 13.871 30.959 51.440 1.00 18.10 C ATOM 595 OD1 ASP A 42 14.304 30.137 50.606 1.00 18.27 O ATOM 596 OD2 ASP A 42 14.399 32.073 51.619 1.00 19.18 O ATOM 597 HA ASP A 42 12.445 28.822 51.087 1.00 0.00 H ATOM 598 HB2 ASP A 42 11.811 31.232 51.944 1.00 0.00 H ATOM 599 HB3 ASP A 42 12.857 30.793 53.315 1.00 0.00 H ATOM 600 H ASP A 42 10.249 29.808 52.675 1.00 0.00 H ATOM 601 N ARG A 43 12.565 28.153 54.326 1.00 17.31 N ATOM 602 CA ARG A 43 13.256 27.306 55.296 1.00 17.64 C ATOM 603 C ARG A 43 13.184 25.839 54.870 1.00 17.01 C ATOM 604 O ARG A 43 14.089 25.060 55.165 1.00 17.14 O ATOM 605 CB ARG A 43 12.679 27.493 56.708 1.00 18.99 C ATOM 606 CG ARG A 43 13.118 28.801 57.360 1.00 20.08 C ATOM 607 CD ARG A 43 12.833 28.824 58.863 1.00 21.30 C ATOM 608 NE ARG A 43 11.408 28.810 59.173 1.00 22.91 N ATOM 609 CZ ARG A 43 10.606 29.868 59.109 1.00 23.40 C ATOM 610 NH1 ARG A 43 11.079 31.052 58.741 1.00 24.89 N ATOM 611 NH2 ARG A 43 9.325 29.739 59.425 1.00 24.72 N ATOM 612 HA ARG A 43 14.303 27.608 55.323 1.00 0.00 H ATOM 613 HB2 ARG A 43 11.591 27.484 56.643 1.00 0.00 H ATOM 614 HB3 ARG A 43 13.011 26.664 57.333 1.00 0.00 H ATOM 615 HG2 ARG A 43 14.189 28.929 57.204 1.00 0.00 H ATOM 616 HG3 ARG A 43 12.583 29.625 56.889 1.00 0.00 H ATOM 617 HD2 ARG A 43 13.272 29.727 59.286 1.00 0.00 H ATOM 618 HD3 ARG A 43 13.296 27.949 59.318 1.00 0.00 H ATOM 619 HE ARG A 43 10.988 27.905 59.466 1.00 0.00 H ATOM 620 HH12 ARG A 43 10.444 31.874 58.694 1.00 0.00 H ATOM 621 HH11 ARG A 43 12.085 31.158 58.500 1.00 0.00 H ATOM 622 HH22 ARG A 43 8.692 30.563 59.377 1.00 0.00 H ATOM 623 HH21 ARG A 43 8.953 28.814 59.721 1.00 0.00 H ATOM 624 H ARG A 43 11.716 28.682 54.610 1.00 0.00 H ATOM 625 N CYS A 44 12.112 25.457 54.181 1.00 16.63 N ATOM 626 CA CYS A 44 12.006 24.080 53.701 1.00 16.76 C ATOM 627 C CYS A 44 13.179 23.820 52.760 1.00 16.87 C ATOM 628 O CYS A 44 13.796 22.754 52.782 1.00 16.55 O ATOM 629 CB CYS A 44 10.723 23.858 52.905 1.00 16.99 C ATOM 630 SG CYS A 44 9.132 23.957 53.777 1.00 17.23 S ATOM 631 HA CYS A 44 12.006 23.413 54.563 1.00 0.00 H ATOM 632 HB2 CYS A 44 10.786 22.864 52.463 1.00 0.00 H ATOM 633 HB3 CYS A 44 10.703 24.606 52.112 1.00 0.00 H ATOM 634 H CYS A 44 11.350 26.137 53.984 1.00 0.00 H ATOM 635 N CYS A 45 13.473 24.796 51.905 1.00 16.59 N ATOM 636 CA CYS A 45 14.577 24.641 50.968 1.00 16.85 C ATOM 637 C CYS A 45 15.925 24.669 51.667 1.00 17.13 C ATOM 638 O CYS A 45 16.846 23.957 51.268 1.00 16.64 O ATOM 639 CB CYS A 45 14.512 25.713 49.880 1.00 17.14 C ATOM 640 SG CYS A 45 13.002 25.516 48.882 1.00 18.16 S ATOM 641 HA CYS A 45 14.474 23.661 50.503 1.00 0.00 H ATOM 642 HB2 CYS A 45 15.385 25.622 49.233 1.00 0.00 H ATOM 643 HB3 CYS A 45 14.508 26.698 50.346 1.00 0.00 H ATOM 644 H CYS A 45 12.913 25.672 51.906 1.00 0.00 H ATOM 645 N PHE A 46 16.039 25.490 52.710 1.00 16.93 N ATOM 646 CA PHE A 46 17.284 25.576 53.464 1.00 17.87 C ATOM 647 C PHE A 46 17.582 24.198 54.063 1.00 17.61 C ATOM 648 O PHE A 46 18.698 23.688 53.964 1.00 17.13 O ATOM 649 CB PHE A 46 17.157 26.609 54.586 1.00 18.39 C ATOM 650 CG PHE A 46 18.308 26.594 55.553 1.00 20.81 C ATOM 651 CD1 PHE A 46 19.555 27.095 55.188 1.00 21.46 C ATOM 652 CD2 PHE A 46 18.151 26.045 56.822 1.00 22.10 C ATOM 653 CE1 PHE A 46 20.635 27.047 56.073 1.00 22.49 C ATOM 654 CE2 PHE A 46 19.222 25.991 57.713 1.00 22.80 C ATOM 655 CZ PHE A 46 20.465 26.493 57.338 1.00 22.39 C ATOM 656 HA PHE A 46 18.093 25.885 52.802 1.00 0.00 H ATOM 657 HB2 PHE A 46 17.097 27.600 54.137 1.00 0.00 H ATOM 658 HB3 PHE A 46 16.240 26.406 55.139 1.00 0.00 H ATOM 659 HD2 PHE A 46 17.180 25.653 57.123 1.00 0.00 H ATOM 660 HE2 PHE A 46 19.086 25.556 58.703 1.00 0.00 H ATOM 661 HZ PHE A 46 21.303 26.452 58.034 1.00 0.00 H ATOM 662 HE1 PHE A 46 21.606 27.442 55.774 1.00 0.00 H ATOM 663 HD1 PHE A 46 19.690 27.531 54.198 1.00 0.00 H ATOM 664 H PHE A 46 15.228 26.078 52.990 1.00 0.00 H ATOM 665 N VAL A 47 16.570 23.606 54.685 1.00 18.19 N ATOM 666 CA VAL A 47 16.709 22.289 55.291 1.00 17.93 C ATOM 667 C VAL A 47 17.028 21.249 54.220 1.00 18.22 C ATOM 668 O VAL A 47 17.869 20.369 54.421 1.00 18.21 O ATOM 669 CB VAL A 47 15.413 21.897 56.044 1.00 18.10 C ATOM 670 CG1 VAL A 47 15.482 20.446 56.503 1.00 18.42 C ATOM 671 CG2 VAL A 47 15.227 22.822 57.248 1.00 18.76 C ATOM 672 HA VAL A 47 17.529 22.323 56.008 1.00 0.00 H ATOM 673 HB VAL A 47 14.563 22.003 55.370 1.00 0.00 H ATOM 674 HG11 VAL A 47 15.599 19.797 55.635 1.00 0.00 H ATOM 675 HG12 VAL A 47 16.334 20.318 57.171 1.00 0.00 H ATOM 676 HG13 VAL A 47 14.563 20.189 57.030 1.00 0.00 H ATOM 677 HG21 VAL A 47 16.082 22.722 57.917 1.00 0.00 H ATOM 678 HG22 VAL A 47 15.152 23.853 56.904 1.00 0.00 H ATOM 679 HG23 VAL A 47 14.315 22.547 57.778 1.00 0.00 H ATOM 680 H VAL A 47 15.654 24.095 54.741 1.00 0.00 H ATOM 681 N HIS A 48 16.366 21.365 53.074 1.00 18.05 N ATOM 682 CA HIS A 48 16.592 20.434 51.972 1.00 18.13 C ATOM 683 C HIS A 48 18.052 20.500 51.538 1.00 18.51 C ATOM 684 O HIS A 48 18.662 19.477 51.235 1.00 18.40 O ATOM 685 CB HIS A 48 15.676 20.784 50.797 1.00 17.88 C ATOM 686 CG HIS A 48 15.724 19.795 49.674 1.00 17.83 C ATOM 687 ND1 HIS A 48 16.171 20.125 48.413 1.00 18.87 N ATOM 688 CD2 HIS A 48 15.368 18.488 49.618 1.00 18.27 C ATOM 689 CE1 HIS A 48 16.089 19.065 47.627 1.00 18.53 C ATOM 690 NE2 HIS A 48 15.605 18.058 48.334 1.00 18.23 N ATOM 691 HA HIS A 48 16.364 19.421 52.304 1.00 0.00 H ATOM 692 HB2 HIS A 48 14.651 20.837 51.164 1.00 0.00 H ATOM 693 HB3 HIS A 48 15.972 21.759 50.409 1.00 0.00 H ATOM 694 HD2 HIS A 48 14.969 17.890 50.437 1.00 0.00 H ATOM 695 HE1 HIS A 48 16.372 19.028 46.575 1.00 0.00 H ATOM 696 H HIS A 48 15.674 22.133 52.960 1.00 0.00 H ATOM 697 N ASP A 49 18.606 21.712 51.510 1.00 19.39 N ATOM 698 CA ASP A 49 20.005 21.904 51.132 1.00 20.71 C ATOM 699 C ASP A 49 20.927 21.255 52.147 1.00 20.64 C ATOM 700 O ASP A 49 21.928 20.633 51.789 1.00 20.09 O ATOM 701 CB ASP A 49 20.336 23.391 51.025 1.00 22.68 C ATOM 702 CG ASP A 49 19.834 23.996 49.743 1.00 25.10 C ATOM 703 OD1 ASP A 49 19.450 23.210 48.866 1.00 26.59 O ATOM 704 OD2 ASP A 49 19.830 25.238 49.604 1.00 26.87 O ATOM 705 HA ASP A 49 20.155 21.434 50.160 1.00 0.00 H ATOM 706 HB2 ASP A 49 19.876 23.914 51.864 1.00 0.00 H ATOM 707 HB3 ASP A 49 21.418 23.514 51.071 1.00 0.00 H ATOM 708 H ASP A 49 18.030 22.540 51.763 1.00 0.00 H ATOM 709 N CYS A 50 20.585 21.410 53.420 1.00 20.40 N ATOM 710 CA CYS A 50 21.381 20.827 54.482 1.00 20.95 C ATOM 711 C CYS A 50 21.351 19.313 54.352 1.00 20.45 C ATOM 712 O CYS A 50 22.362 18.645 54.555 1.00 20.73 O ATOM 713 CB CYS A 50 20.830 21.236 55.845 1.00 21.72 C ATOM 714 SG CYS A 50 21.004 23.010 56.217 1.00 23.31 S ATOM 715 HA CYS A 50 22.407 21.186 54.399 1.00 0.00 H ATOM 716 HB2 CYS A 50 21.360 20.672 56.612 1.00 0.00 H ATOM 717 HB3 CYS A 50 19.770 20.982 55.876 1.00 0.00 H ATOM 718 H CYS A 50 19.734 21.958 53.659 1.00 0.00 H ATOM 719 N CYS A 51 20.183 18.776 54.013 1.00 20.00 N ATOM 720 CA CYS A 51 20.023 17.337 53.855 1.00 19.50 C ATOM 721 C CYS A 51 20.934 16.844 52.723 1.00 20.01 C ATOM 722 O CYS A 51 21.683 15.881 52.892 1.00 20.08 O ATOM 723 CB CYS A 51 18.556 17.017 53.554 1.00 19.19 C ATOM 724 SG CYS A 51 18.017 15.300 53.841 1.00 17.95 S ATOM 725 HA CYS A 51 20.307 16.827 54.776 1.00 0.00 H ATOM 726 HB2 CYS A 51 18.376 17.249 52.504 1.00 0.00 H ATOM 727 HB3 CYS A 51 17.941 17.665 54.179 1.00 0.00 H ATOM 728 H CYS A 51 19.364 19.398 53.857 1.00 0.00 H ATOM 729 N TYR A 52 20.875 17.518 51.577 1.00 20.58 N ATOM 730 CA TYR A 52 21.710 17.166 50.429 1.00 21.36 C ATOM 731 C TYR A 52 23.183 17.310 50.790 1.00 22.01 C ATOM 732 O TYR A 52 24.016 16.493 50.391 1.00 22.39 O ATOM 733 CB TYR A 52 21.416 18.094 49.249 1.00 21.37 C ATOM 734 CG TYR A 52 20.322 17.650 48.307 1.00 21.15 C ATOM 735 CD1 TYR A 52 19.432 16.628 48.646 1.00 21.33 C ATOM 736 CD2 TYR A 52 20.166 18.274 47.069 1.00 20.84 C ATOM 737 CE1 TYR A 52 18.414 16.243 47.767 1.00 20.55 C ATOM 738 CE2 TYR A 52 19.159 17.899 46.193 1.00 21.31 C ATOM 739 CZ TYR A 52 18.286 16.887 46.543 1.00 20.94 C ATOM 740 OH TYR A 52 17.290 16.529 45.661 1.00 21.18 O ATOM 741 HA TYR A 52 21.487 16.135 50.155 1.00 0.00 H ATOM 742 HB3 TYR A 52 22.333 18.196 48.669 1.00 0.00 H ATOM 743 HB2 TYR A 52 21.133 19.066 49.653 1.00 0.00 H ATOM 744 HD2 TYR A 52 20.850 19.073 46.784 1.00 0.00 H ATOM 745 HE2 TYR A 52 19.056 18.401 45.231 1.00 0.00 H ATOM 746 HE1 TYR A 52 17.726 15.443 48.041 1.00 0.00 H ATOM 747 HD1 TYR A 52 19.532 16.124 49.607 1.00 0.00 H ATOM 748 HH TYR A 52 16.752 15.796 46.052 1.00 0.00 H ATOM 749 H TYR A 52 20.216 18.318 51.495 1.00 0.00 H ATOM 750 N GLY A 53 23.494 18.370 51.532 1.00 22.45 N ATOM 751 CA GLY A 53 24.862 18.634 51.936 1.00 24.08 C ATOM 752 C GLY A 53 25.454 17.549 52.810 1.00 24.63 C ATOM 753 O GLY A 53 26.676 17.453 52.950 1.00 25.51 O ATOM 754 HA3 GLY A 53 24.884 19.573 52.489 1.00 0.00 H ATOM 755 HA2 GLY A 53 25.475 18.728 51.039 1.00 0.00 H ATOM 756 H GLY A 53 22.741 19.023 51.828 1.00 0.00 H ATOM 757 N ASN A 54 24.590 16.733 53.403 1.00 24.53 N ATOM 758 CA ASN A 54 25.036 15.646 54.259 1.00 25.14 C ATOM 759 C ASN A 54 25.046 14.314 53.518 1.00 24.52 C ATOM 760 O ASN A 54 25.027 13.251 54.133 1.00 24.95 O ATOM 761 CB ASN A 54 24.158 15.565 55.510 1.00 25.92 C ATOM 762 CG ASN A 54 24.617 16.518 56.597 1.00 27.52 C ATOM 763 OD1 ASN A 54 25.635 16.284 57.252 1.00 28.22 O ATOM 764 ND2 ASN A 54 23.881 17.608 56.784 1.00 28.15 N ATOM 765 HA ASN A 54 26.062 15.856 54.561 1.00 0.00 H ATOM 766 HB2 ASN A 54 23.133 15.813 55.236 1.00 0.00 H ATOM 767 HB3 ASN A 54 24.193 14.547 55.898 1.00 0.00 H ATOM 768 HD22 ASN A 54 23.029 17.765 56.208 1.00 0.00 H ATOM 769 HD21 ASN A 54 24.157 18.304 57.506 1.00 0.00 H ATOM 770 H ASN A 54 23.571 16.875 53.251 1.00 0.00 H ATOM 771 N LEU A 55 25.072 14.392 52.190 1.00 24.51 N ATOM 772 CA LEU A 55 25.123 13.213 51.328 1.00 24.51 C ATOM 773 C LEU A 55 26.317 13.406 50.386 1.00 25.21 C ATOM 774 O LEU A 55 26.182 13.335 49.162 1.00 25.02 O ATOM 775 CB LEU A 55 23.834 13.081 50.508 1.00 24.42 C ATOM 776 CG LEU A 55 22.506 13.084 51.274 1.00 24.35 C ATOM 777 CD1 LEU A 55 21.362 12.874 50.292 1.00 24.52 C ATOM 778 CD2 LEU A 55 22.506 11.985 52.335 1.00 24.70 C ATOM 779 HA LEU A 55 25.226 12.308 51.926 1.00 0.00 H ATOM 780 HB2 LEU A 55 23.807 13.913 49.804 1.00 0.00 H ATOM 781 HB3 LEU A 55 23.892 12.142 49.957 1.00 0.00 H ATOM 782 HG LEU A 55 22.378 14.043 51.776 1.00 0.00 H ATOM 783 HD21 LEU A 55 22.638 11.016 51.853 1.00 0.00 H ATOM 784 HD22 LEU A 55 23.323 12.158 53.036 1.00 0.00 H ATOM 785 HD23 LEU A 55 21.557 11.999 52.871 1.00 0.00 H ATOM 786 HD11 LEU A 55 21.363 13.679 49.557 1.00 0.00 H ATOM 787 HD12 LEU A 55 21.491 11.918 49.785 1.00 0.00 H ATOM 788 HD13 LEU A 55 20.416 12.875 50.833 1.00 0.00 H ATOM 789 H LEU A 55 25.055 15.332 51.746 1.00 0.00 H ATOM 790 N PRO A 56 27.510 13.648 50.955 1.00 25.99 N ATOM 791 CA PRO A 56 28.731 13.860 50.171 1.00 26.43 C ATOM 792 C PRO A 56 29.098 12.690 49.265 1.00 26.84 C ATOM 793 O PRO A 56 29.741 12.872 48.230 1.00 27.02 O ATOM 794 CB PRO A 56 29.783 14.117 51.248 1.00 26.64 C ATOM 795 CG PRO A 56 29.321 13.244 52.366 1.00 26.84 C ATOM 796 CD PRO A 56 27.830 13.528 52.389 1.00 26.36 C ATOM 797 HA PRO A 56 28.624 14.679 49.460 1.00 0.00 H ATOM 798 HD3 PRO A 56 27.279 12.708 52.849 1.00 0.00 H ATOM 799 HD2 PRO A 56 27.613 14.454 52.921 1.00 0.00 H ATOM 800 HG3 PRO A 56 29.793 13.523 53.308 1.00 0.00 H ATOM 801 HG2 PRO A 56 29.522 12.193 52.158 1.00 0.00 H ATOM 802 HB2 PRO A 56 30.776 13.827 50.906 1.00 0.00 H ATOM 803 HB3 PRO A 56 29.795 15.166 51.546 1.00 0.00 H ATOM 804 N ASP A 59 28.682 11.493 49.657 1.00 27.01 N ATOM 805 CA ASP A 59 28.978 10.292 48.884 1.00 27.60 C ATOM 806 C ASP A 59 27.967 10.045 47.771 1.00 27.41 C ATOM 807 O ASP A 59 28.020 9.016 47.096 1.00 27.69 O ATOM 808 CB ASP A 59 29.038 9.075 49.816 1.00 28.32 C ATOM 809 CG ASP A 59 27.729 8.827 50.547 1.00 29.22 C ATOM 810 OD1 ASP A 59 27.197 9.777 51.157 1.00 29.46 O ATOM 811 OD2 ASP A 59 27.236 7.680 50.516 1.00 30.66 O ATOM 812 HA ASP A 59 29.946 10.447 48.408 1.00 0.00 H ATOM 813 HB2 ASP A 59 29.278 8.193 49.222 1.00 0.00 H ATOM 814 HB3 ASP A 59 29.823 9.240 50.554 1.00 0.00 H ATOM 815 H ASP A 59 28.132 11.409 50.536 1.00 0.00 H ATOM 816 N CYS A 61 27.058 10.994 47.567 1.00 27.35 N ATOM 817 CA CYS A 61 26.033 10.853 46.537 1.00 27.63 C ATOM 818 C CYS A 61 25.963 12.043 45.584 1.00 28.41 C ATOM 819 O CYS A 61 26.644 13.048 45.771 1.00 28.61 O ATOM 820 CB CYS A 61 24.660 10.681 47.187 1.00 26.94 C ATOM 821 SG CYS A 61 24.564 9.433 48.507 1.00 25.34 S ATOM 822 HA CYS A 61 26.311 9.975 45.955 1.00 0.00 H ATOM 823 HB2 CYS A 61 23.953 10.399 46.407 1.00 0.00 H ATOM 824 HB3 CYS A 61 24.367 11.641 47.612 1.00 0.00 H ATOM 825 H CYS A 61 27.078 11.853 48.153 1.00 0.00 H ATOM 826 N ASN A 67 25.119 11.906 44.564 1.00 29.66 N ATOM 827 CA ASN A 67 24.885 12.947 43.565 1.00 30.87 C ATOM 828 C ASN A 67 23.378 13.213 43.608 1.00 31.38 C ATOM 829 O ASN A 67 22.638 12.796 42.720 1.00 31.27 O ATOM 830 CB ASN A 67 25.278 12.450 42.171 1.00 31.85 C ATOM 831 CG ASN A 67 26.724 12.010 42.096 1.00 32.78 C ATOM 832 OD1 ASN A 67 27.639 12.802 42.330 1.00 33.72 O ATOM 833 ND2 ASN A 67 26.940 10.739 41.772 1.00 33.60 N ATOM 834 HA ASN A 67 25.473 13.841 43.771 1.00 0.00 H ATOM 835 HB2 ASN A 67 24.642 11.605 41.909 1.00 0.00 H ATOM 836 HB3 ASN A 67 25.121 13.257 41.455 1.00 0.00 H ATOM 837 HD22 ASN A 67 26.136 10.107 41.583 1.00 0.00 H ATOM 838 HD21 ASN A 67 27.913 10.377 41.708 1.00 0.00 H ATOM 839 H ASN A 67 24.598 11.010 44.473 1.00 0.00 H ATOM 840 N PRO A 68 22.913 13.925 44.646 1.00 31.99 N ATOM 841 CA PRO A 68 21.498 14.260 44.852 1.00 32.57 C ATOM 842 C PRO A 68 20.691 14.820 43.681 1.00 33.15 C ATOM 843 O PRO A 68 19.560 14.391 43.446 1.00 33.35 O ATOM 844 CB PRO A 68 21.541 15.219 46.047 1.00 32.45 C ATOM 845 CG PRO A 68 22.899 15.837 45.948 1.00 32.92 C ATOM 846 CD PRO A 68 23.762 14.656 45.602 1.00 32.13 C ATOM 847 HA PRO A 68 20.938 13.337 45.005 1.00 0.00 H ATOM 848 HD3 PRO A 68 24.698 14.971 45.141 1.00 0.00 H ATOM 849 HD2 PRO A 68 23.978 14.051 46.483 1.00 0.00 H ATOM 850 HG3 PRO A 68 23.201 16.283 46.896 1.00 0.00 H ATOM 851 HG2 PRO A 68 22.933 16.594 45.165 1.00 0.00 H ATOM 852 HB2 PRO A 68 20.761 15.976 45.968 1.00 0.00 H ATOM 853 HB3 PRO A 68 21.426 14.678 46.986 1.00 0.00 H ATOM 854 N LYS A 69 21.257 15.767 42.942 1.00 33.60 N ATOM 855 CA LYS A 69 20.528 16.360 41.831 1.00 34.15 C ATOM 856 C LYS A 69 20.498 15.523 40.556 1.00 34.20 C ATOM 857 O LYS A 69 19.613 15.705 39.720 1.00 34.12 O ATOM 858 CB LYS A 69 21.082 17.756 41.521 1.00 34.65 C ATOM 859 CG LYS A 69 20.817 18.779 42.621 1.00 35.31 C ATOM 860 CD LYS A 69 21.178 20.197 42.192 1.00 36.13 C ATOM 861 CE LYS A 69 22.667 20.341 41.921 1.00 36.67 C ATOM 862 NZ LYS A 69 23.482 19.975 43.114 1.00 37.39 N ATOM 863 HA LYS A 69 19.493 16.416 42.168 1.00 0.00 H ATOM 864 HB2 LYS A 69 22.160 17.675 41.378 1.00 0.00 H ATOM 865 HB3 LYS A 69 20.621 18.113 40.600 1.00 0.00 H ATOM 866 HG2 LYS A 69 19.759 18.750 42.880 1.00 0.00 H ATOM 867 HG3 LYS A 69 21.411 18.515 43.496 1.00 0.00 H ATOM 868 HD2 LYS A 69 20.628 20.442 41.283 1.00 0.00 H ATOM 869 HD3 LYS A 69 20.894 20.889 42.985 1.00 0.00 H ATOM 870 HE2 LYS A 69 22.879 21.376 41.652 1.00 0.00 H ATOM 871 HE3 LYS A 69 22.940 19.688 41.092 1.00 0.00 H ATOM 872 HZ1 LYS A 69 23.231 20.598 43.908 1.00 0.00 H ATOM 873 HZ2 LYS A 69 23.290 18.986 43.374 1.00 0.00 H ATOM 874 HZ3 LYS A 69 24.492 20.086 42.890 1.00 0.00 H ATOM 875 H LYS A 69 22.223 16.086 43.158 1.00 0.00 H ATOM 876 N SER A 70 21.439 14.594 40.410 1.00 34.00 N ATOM 877 CA SER A 70 21.483 13.773 39.202 1.00 33.99 C ATOM 878 C SER A 70 21.113 12.300 39.368 1.00 33.45 C ATOM 879 O SER A 70 20.637 11.671 38.422 1.00 33.17 O ATOM 880 CB SER A 70 22.866 13.874 38.555 1.00 34.39 C ATOM 881 OG SER A 70 23.875 13.390 39.421 1.00 35.67 O ATOM 882 HA SER A 70 20.701 14.189 38.567 1.00 0.00 H ATOM 883 HB2 SER A 70 23.072 14.918 38.318 1.00 0.00 H ATOM 884 HB3 SER A 70 22.873 13.286 37.637 1.00 0.00 H ATOM 885 HG SER A 70 23.696 12.440 39.636 1.00 0.00 H ATOM 886 H SER A 70 22.146 14.451 41.159 1.00 0.00 H ATOM 887 N ASP A 71 21.330 11.745 40.557 1.00 32.91 N ATOM 888 CA ASP A 71 21.018 10.339 40.796 1.00 32.81 C ATOM 889 C ASP A 71 19.528 10.050 40.704 1.00 32.55 C ATOM 890 O ASP A 71 18.718 10.687 41.378 1.00 32.72 O ATOM 891 CB ASP A 71 21.525 9.893 42.171 1.00 33.63 C ATOM 892 CG ASP A 71 23.035 9.966 42.292 1.00 34.51 C ATOM 893 OD1 ASP A 71 23.729 9.792 41.267 1.00 35.05 O ATOM 894 OD2 ASP A 71 23.531 10.179 43.419 1.00 35.21 O ATOM 895 HA ASP A 71 21.525 9.778 40.011 1.00 0.00 H ATOM 896 HB2 ASP A 71 21.083 10.537 42.931 1.00 0.00 H ATOM 897 HB3 ASP A 71 21.211 8.863 42.341 1.00 0.00 H ATOM 898 H ASP A 71 21.727 12.320 41.327 1.00 0.00 H ATOM 899 N ARG A 72 19.170 9.080 39.870 1.00 31.82 N ATOM 900 CA ARG A 72 17.772 8.704 39.703 1.00 31.45 C ATOM 901 C ARG A 72 17.369 7.698 40.774 1.00 30.88 C ATOM 902 O ARG A 72 18.182 6.893 41.223 1.00 31.49 O ATOM 903 CB ARG A 72 17.550 8.085 38.317 1.00 31.74 C ATOM 904 CG ARG A 72 17.847 9.027 37.163 1.00 32.45 C ATOM 905 CD ARG A 72 16.867 10.185 37.133 1.00 33.12 C ATOM 906 NE ARG A 72 15.512 9.756 36.794 1.00 33.57 N ATOM 907 CZ ARG A 72 15.145 9.313 35.595 1.00 34.10 C ATOM 908 NH1 ARG A 72 16.032 9.237 34.611 1.00 34.19 N ATOM 909 NH2 ARG A 72 13.888 8.950 35.378 1.00 34.34 N ATOM 910 HA ARG A 72 17.160 9.601 39.799 1.00 0.00 H ATOM 911 HB2 ARG A 72 18.198 7.213 38.223 1.00 0.00 H ATOM 912 HB3 ARG A 72 16.509 7.772 38.244 1.00 0.00 H ATOM 913 HG2 ARG A 72 18.858 9.419 37.275 1.00 0.00 H ATOM 914 HG3 ARG A 72 17.775 8.475 36.226 1.00 0.00 H ATOM 915 HD2 ARG A 72 17.202 10.909 36.390 1.00 0.00 H ATOM 916 HD3 ARG A 72 16.850 10.656 38.116 1.00 0.00 H ATOM 917 HE ARG A 72 14.787 9.800 37.539 1.00 0.00 H ATOM 918 HH12 ARG A 72 15.741 8.890 33.675 1.00 0.00 H ATOM 919 HH11 ARG A 72 17.018 9.524 34.776 1.00 0.00 H ATOM 920 HH22 ARG A 72 13.601 8.604 34.440 1.00 0.00 H ATOM 921 HH21 ARG A 72 13.189 9.012 36.146 1.00 0.00 H ATOM 922 H ARG A 72 19.901 8.579 39.326 1.00 0.00 H ATOM 923 N TYR A 73 16.112 7.752 41.192 1.00 30.10 N ATOM 924 CA TYR A 73 15.613 6.821 42.190 1.00 29.69 C ATOM 925 C TYR A 73 14.127 6.628 41.965 1.00 29.90 C ATOM 926 O TYR A 73 13.515 7.346 41.178 1.00 29.77 O ATOM 927 CB TYR A 73 15.882 7.346 43.610 1.00 28.70 C ATOM 928 CG TYR A 73 15.126 8.604 43.995 1.00 27.43 C ATOM 929 CD1 TYR A 73 13.777 8.554 44.351 1.00 26.86 C ATOM 930 CD2 TYR A 73 15.760 9.847 43.999 1.00 26.97 C ATOM 931 CE1 TYR A 73 13.079 9.709 44.701 1.00 26.37 C ATOM 932 CE2 TYR A 73 15.069 11.011 44.347 1.00 26.17 C ATOM 933 CZ TYR A 73 13.730 10.933 44.695 1.00 26.23 C ATOM 934 OH TYR A 73 13.034 12.076 45.020 1.00 25.21 O ATOM 935 HA TYR A 73 16.129 5.866 42.091 1.00 0.00 H ATOM 936 HB3 TYR A 73 16.948 7.555 43.695 1.00 0.00 H ATOM 937 HB2 TYR A 73 15.610 6.561 44.316 1.00 0.00 H ATOM 938 HD2 TYR A 73 16.813 9.911 43.726 1.00 0.00 H ATOM 939 HE2 TYR A 73 15.580 11.974 44.345 1.00 0.00 H ATOM 940 HE1 TYR A 73 12.026 9.650 44.978 1.00 0.00 H ATOM 941 HD1 TYR A 73 13.260 7.594 44.355 1.00 0.00 H ATOM 942 HH TYR A 73 13.460 12.509 45.802 1.00 0.00 H ATOM 943 H TYR A 73 15.473 8.472 40.799 1.00 0.00 H ATOM 944 N LYS A 74 13.546 5.647 42.642 1.00 30.39 N ATOM 945 CA LYS A 74 12.125 5.397 42.494 1.00 31.00 C ATOM 946 C LYS A 74 11.426 5.443 43.837 1.00 30.77 C ATOM 947 O LYS A 74 12.038 5.213 44.879 1.00 30.75 O ATOM 948 CB LYS A 74 11.883 4.041 41.820 1.00 32.35 C ATOM 949 CG LYS A 74 12.277 4.009 40.347 1.00 33.89 C ATOM 950 CD LYS A 74 11.923 2.681 39.691 1.00 35.27 C ATOM 951 CE LYS A 74 12.356 2.661 38.229 1.00 36.06 C ATOM 952 NZ LYS A 74 12.029 1.373 37.555 1.00 36.88 N ATOM 953 HA LYS A 74 11.710 6.182 41.862 1.00 0.00 H ATOM 954 HB2 LYS A 74 12.464 3.285 42.348 1.00 0.00 H ATOM 955 HB3 LYS A 74 10.822 3.802 41.898 1.00 0.00 H ATOM 956 HG2 LYS A 74 11.754 4.810 39.825 1.00 0.00 H ATOM 957 HG3 LYS A 74 13.353 4.166 40.267 1.00 0.00 H ATOM 958 HD2 LYS A 74 12.427 1.875 40.223 1.00 0.00 H ATOM 959 HD3 LYS A 74 10.845 2.532 39.746 1.00 0.00 H ATOM 960 HE2 LYS A 74 13.434 2.817 38.181 1.00 0.00 H ATOM 961 HE3 LYS A 74 11.849 3.470 37.703 1.00 0.00 H ATOM 962 HZ1 LYS A 74 12.514 0.594 38.044 1.00 0.00 H ATOM 963 HZ2 LYS A 74 11.001 1.217 37.587 1.00 0.00 H ATOM 964 HZ3 LYS A 74 12.344 1.412 36.565 1.00 0.00 H ATOM 965 H LYS A 74 14.112 5.054 43.282 1.00 0.00 H ATOM 966 N TYR A 75 10.140 5.766 43.803 1.00 30.37 N ATOM 967 CA TYR A 75 9.337 5.831 45.011 1.00 30.15 C ATOM 968 C TYR A 75 7.908 5.521 44.614 1.00 30.73 C ATOM 969 O TYR A 75 7.568 5.532 43.431 1.00 30.71 O ATOM 970 CB TYR A 75 9.428 7.225 45.653 1.00 29.09 C ATOM 971 CG TYR A 75 8.646 8.317 44.949 1.00 28.29 C ATOM 972 CD1 TYR A 75 7.306 8.561 45.264 1.00 27.51 C ATOM 973 CD2 TYR A 75 9.246 9.108 43.971 1.00 27.77 C ATOM 974 CE1 TYR A 75 6.585 9.570 44.618 1.00 27.48 C ATOM 975 CE2 TYR A 75 8.537 10.118 43.321 1.00 27.64 C ATOM 976 CZ TYR A 75 7.209 10.344 43.648 1.00 27.45 C ATOM 977 OH TYR A 75 6.509 11.344 43.007 1.00 27.96 O ATOM 978 HA TYR A 75 9.698 5.114 45.749 1.00 0.00 H ATOM 979 HB3 TYR A 75 10.477 7.520 45.670 1.00 0.00 H ATOM 980 HB2 TYR A 75 9.056 7.150 46.675 1.00 0.00 H ATOM 981 HD2 TYR A 75 10.290 8.934 43.709 1.00 0.00 H ATOM 982 HE2 TYR A 75 9.025 10.727 42.560 1.00 0.00 H ATOM 983 HE1 TYR A 75 5.540 9.748 44.874 1.00 0.00 H ATOM 984 HD1 TYR A 75 6.815 7.955 46.026 1.00 0.00 H ATOM 985 HH TYR A 75 5.583 11.372 43.355 1.00 0.00 H ATOM 986 H TYR A 75 9.695 5.978 42.887 1.00 0.00 H ATOM 987 N LYS A 76 7.078 5.221 45.601 1.00 31.41 N ATOM 988 CA LYS A 76 5.684 4.919 45.340 1.00 32.35 C ATOM 989 C LYS A 76 4.842 5.633 46.378 1.00 32.75 C ATOM 990 O LYS A 76 5.371 6.316 47.257 1.00 32.70 O ATOM 991 CB LYS A 76 5.441 3.409 45.409 1.00 33.20 C ATOM 992 CG LYS A 76 5.838 2.763 46.729 1.00 34.17 C ATOM 993 CD LYS A 76 5.453 1.285 46.745 1.00 35.41 C ATOM 994 CE LYS A 76 5.899 0.599 48.025 1.00 36.12 C ATOM 995 NZ LYS A 76 7.383 0.548 48.142 1.00 37.05 N ATOM 996 HA LYS A 76 5.413 5.256 44.340 1.00 0.00 H ATOM 997 HB2 LYS A 76 4.378 3.228 45.247 1.00 0.00 H ATOM 998 HB3 LYS A 76 6.014 2.935 44.612 1.00 0.00 H ATOM 999 HG2 LYS A 76 6.916 2.854 46.862 1.00 0.00 H ATOM 1000 HG3 LYS A 76 5.328 3.275 47.545 1.00 0.00 H ATOM 1001 HD2 LYS A 76 4.370 1.201 46.659 1.00 0.00 H ATOM 1002 HD3 LYS A 76 5.923 0.789 45.896 1.00 0.00 H ATOM 1003 HE2 LYS A 76 5.510 -0.419 48.033 1.00 0.00 H ATOM 1004 HE3 LYS A 76 5.497 1.147 48.877 1.00 0.00 H ATOM 1005 HZ1 LYS A 76 7.775 0.020 47.336 1.00 0.00 H ATOM 1006 HZ2 LYS A 76 7.763 1.516 48.142 1.00 0.00 H ATOM 1007 HZ3 LYS A 76 7.643 0.072 49.029 1.00 0.00 H ATOM 1008 H LYS A 76 7.431 5.202 46.579 1.00 0.00 H ATOM 1009 N ARG A 77 3.530 5.488 46.269 1.00 33.12 N ATOM 1010 CA ARG A 77 2.630 6.119 47.217 1.00 33.65 C ATOM 1011 C ARG A 77 1.723 5.053 47.819 1.00 34.25 C ATOM 1012 O ARG A 77 1.053 4.318 47.098 1.00 34.67 O ATOM 1013 CB ARG A 77 1.804 7.208 46.520 1.00 33.30 C ATOM 1014 CG ARG A 77 2.650 8.301 45.857 1.00 33.27 C ATOM 1015 CD ARG A 77 1.787 9.439 45.326 1.00 33.12 C ATOM 1016 NE ARG A 77 1.116 10.159 46.408 1.00 32.48 N ATOM 1017 CZ ARG A 77 1.607 11.232 47.022 1.00 32.29 C ATOM 1018 NH1 ARG A 77 2.781 11.735 46.664 1.00 31.47 N ATOM 1019 NH2 ARG A 77 0.925 11.798 48.007 1.00 32.13 N ATOM 1020 HA ARG A 77 3.204 6.593 48.013 1.00 0.00 H ATOM 1021 HB2 ARG A 77 1.191 6.736 45.753 1.00 0.00 H ATOM 1022 HB3 ARG A 77 1.158 7.677 47.262 1.00 0.00 H ATOM 1023 HG2 ARG A 77 3.349 8.701 46.591 1.00 0.00 H ATOM 1024 HG3 ARG A 77 3.206 7.863 45.028 1.00 0.00 H ATOM 1025 HD2 ARG A 77 1.033 9.028 44.654 1.00 0.00 H ATOM 1026 HD3 ARG A 77 2.420 10.136 44.777 1.00 0.00 H ATOM 1027 HE ARG A 77 0.188 9.807 46.720 1.00 0.00 H ATOM 1028 HH12 ARG A 77 3.157 12.574 47.150 1.00 0.00 H ATOM 1029 HH11 ARG A 77 3.325 11.290 45.898 1.00 0.00 H ATOM 1030 HH22 ARG A 77 1.307 12.637 48.489 1.00 0.00 H ATOM 1031 HH21 ARG A 77 0.008 11.403 48.298 1.00 0.00 H ATOM 1032 H ARG A 77 3.140 4.915 45.494 1.00 0.00 H ATOM 1033 N VAL A 78 1.731 4.957 49.144 1.00 34.95 N ATOM 1034 CA VAL A 78 0.909 3.983 49.851 1.00 35.58 C ATOM 1035 C VAL A 78 0.012 4.709 50.844 1.00 36.00 C ATOM 1036 O VAL A 78 0.487 5.492 51.666 1.00 36.17 O ATOM 1037 CB VAL A 78 1.780 2.960 50.614 1.00 35.63 C ATOM 1038 CG1 VAL A 78 0.897 2.032 51.439 1.00 35.65 C ATOM 1039 CG2 VAL A 78 2.618 2.155 49.628 1.00 35.62 C ATOM 1040 HA VAL A 78 0.310 3.446 49.116 1.00 0.00 H ATOM 1041 HB VAL A 78 2.448 3.495 51.289 1.00 0.00 H ATOM 1042 HG11 VAL A 78 0.324 2.620 52.156 1.00 0.00 H ATOM 1043 HG12 VAL A 78 0.215 1.498 50.777 1.00 0.00 H ATOM 1044 HG13 VAL A 78 1.523 1.316 51.972 1.00 0.00 H ATOM 1045 HG21 VAL A 78 1.959 1.625 48.941 1.00 0.00 H ATOM 1046 HG22 VAL A 78 3.264 2.830 49.066 1.00 0.00 H ATOM 1047 HG23 VAL A 78 3.229 1.436 50.174 1.00 0.00 H ATOM 1048 H VAL A 78 2.342 5.595 49.693 1.00 0.00 H ATOM 1049 N ASN A 79 -1.288 4.444 50.763 1.00 36.32 N ATOM 1050 CA ASN A 79 -2.257 5.080 51.647 1.00 36.48 C ATOM 1051 C ASN A 79 -2.187 6.600 51.549 1.00 35.94 C ATOM 1052 O ASN A 79 -2.397 7.308 52.535 1.00 36.12 O ATOM 1053 CB ASN A 79 -2.027 4.644 53.094 1.00 37.46 C ATOM 1054 CG ASN A 79 -2.296 3.169 53.304 1.00 38.24 C ATOM 1055 OD1 ASN A 79 -3.369 2.670 52.962 1.00 39.00 O ATOM 1056 ND2 ASN A 79 -1.324 2.463 53.872 1.00 38.89 N ATOM 1057 HA ASN A 79 -3.250 4.762 51.329 1.00 0.00 H ATOM 1058 HB2 ASN A 79 -0.991 4.852 53.362 1.00 0.00 H ATOM 1059 HB3 ASN A 79 -2.691 5.217 53.742 1.00 0.00 H ATOM 1060 HD22 ASN A 79 -0.434 2.928 54.144 1.00 0.00 H ATOM 1061 HD21 ASN A 79 -1.453 1.446 54.044 1.00 0.00 H ATOM 1062 H ASN A 79 -1.623 3.765 50.050 1.00 0.00 H ATOM 1063 N GLY A 80 -1.882 7.091 50.352 1.00 35.51 N ATOM 1064 CA GLY A 80 -1.805 8.523 50.131 1.00 34.77 C ATOM 1065 C GLY A 80 -0.504 9.197 50.530 1.00 34.06 C ATOM 1066 O GLY A 80 -0.359 10.404 50.346 1.00 34.16 O ATOM 1067 HA3 GLY A 80 -2.609 8.991 50.699 1.00 0.00 H ATOM 1068 HA2 GLY A 80 -1.960 8.704 49.067 1.00 0.00 H ATOM 1069 H GLY A 80 -1.696 6.440 49.563 1.00 0.00 H ATOM 1070 N ALA A 81 0.442 8.434 51.070 1.00 33.19 N ATOM 1071 CA ALA A 81 1.725 8.998 51.490 1.00 31.97 C ATOM 1072 C ALA A 81 2.896 8.447 50.683 1.00 31.17 C ATOM 1073 O ALA A 81 2.887 7.290 50.259 1.00 30.87 O ATOM 1074 CB ALA A 81 1.951 8.733 52.974 1.00 32.20 C ATOM 1075 HA ALA A 81 1.679 10.071 51.307 1.00 0.00 H ATOM 1076 HB1 ALA A 81 1.150 9.195 53.550 1.00 0.00 H ATOM 1077 HB2 ALA A 81 1.956 7.658 53.153 1.00 0.00 H ATOM 1078 HB3 ALA A 81 2.909 9.157 53.276 1.00 0.00 H ATOM 1079 H ALA A 81 0.266 7.417 51.196 1.00 0.00 H ATOM 1080 N ILE A 82 3.906 9.290 50.479 1.00 29.98 N ATOM 1081 CA ILE A 82 5.100 8.910 49.731 1.00 28.99 C ATOM 1082 C ILE A 82 5.906 7.853 50.475 1.00 28.71 C ATOM 1083 O ILE A 82 6.143 7.970 51.675 1.00 27.78 O ATOM 1084 CB ILE A 82 6.022 10.128 49.494 1.00 28.61 C ATOM 1085 CG1 ILE A 82 5.330 11.138 48.576 1.00 28.32 C ATOM 1086 CG2 ILE A 82 7.351 9.673 48.900 1.00 28.17 C ATOM 1087 CD1 ILE A 82 6.122 12.417 48.371 1.00 28.34 C ATOM 1088 HA ILE A 82 4.754 8.511 48.777 1.00 0.00 H ATOM 1089 HB ILE A 82 6.224 10.614 50.448 1.00 0.00 H ATOM 1090 HG12 ILE A 82 5.174 10.670 47.604 1.00 0.00 H ATOM 1091 HG13 ILE A 82 4.365 11.396 49.013 1.00 0.00 H ATOM 1092 HD11 ILE A 82 6.277 12.905 49.333 1.00 0.00 H ATOM 1093 HD12 ILE A 82 7.087 12.178 47.923 1.00 0.00 H ATOM 1094 HD13 ILE A 82 5.568 13.084 47.710 1.00 0.00 H ATOM 1095 HG21 ILE A 82 7.839 8.984 49.589 1.00 0.00 H ATOM 1096 HG22 ILE A 82 7.170 9.171 47.950 1.00 0.00 H ATOM 1097 HG23 ILE A 82 7.991 10.540 48.738 1.00 0.00 H ATOM 1098 H ILE A 82 3.842 10.253 50.866 1.00 0.00 H ATOM 1099 N VAL A 83 6.324 6.818 49.753 1.00 28.62 N ATOM 1100 CA VAL A 83 7.128 5.754 50.334 1.00 28.98 C ATOM 1101 C VAL A 83 8.361 5.558 49.469 1.00 29.01 C ATOM 1102 O VAL A 83 8.263 5.168 48.306 1.00 28.92 O ATOM 1103 CB VAL A 83 6.364 4.414 50.401 1.00 29.23 C ATOM 1104 CG1 VAL A 83 7.266 3.336 50.991 1.00 29.40 C ATOM 1105 CG2 VAL A 83 5.110 4.573 51.238 1.00 29.13 C ATOM 1106 HA VAL A 83 7.387 6.046 51.352 1.00 0.00 H ATOM 1107 HB VAL A 83 6.072 4.115 49.394 1.00 0.00 H ATOM 1108 HG11 VAL A 83 8.148 3.218 50.362 1.00 0.00 H ATOM 1109 HG12 VAL A 83 7.571 3.629 51.996 1.00 0.00 H ATOM 1110 HG13 VAL A 83 6.721 2.393 51.036 1.00 0.00 H ATOM 1111 HG21 VAL A 83 5.385 4.881 52.247 1.00 0.00 H ATOM 1112 HG22 VAL A 83 4.468 5.330 50.788 1.00 0.00 H ATOM 1113 HG23 VAL A 83 4.579 3.622 51.279 1.00 0.00 H ATOM 1114 H VAL A 83 6.069 6.768 48.746 1.00 0.00 H ATOM 1115 N CYS A 84 9.525 5.842 50.035 1.00 29.19 N ATOM 1116 CA CYS A 84 10.765 5.689 49.295 1.00 29.78 C ATOM 1117 C CYS A 84 11.141 4.219 49.108 1.00 31.79 C ATOM 1118 O CYS A 84 11.322 3.485 50.081 1.00 32.08 O ATOM 1119 CB CYS A 84 11.882 6.445 50.009 1.00 27.37 C ATOM 1120 SG CYS A 84 11.719 8.255 49.849 1.00 23.29 S ATOM 1121 HA CYS A 84 10.621 6.109 48.300 1.00 0.00 H ATOM 1122 HB2 CYS A 84 12.838 6.141 49.582 1.00 0.00 H ATOM 1123 HB3 CYS A 84 11.859 6.184 51.067 1.00 0.00 H ATOM 1124 H CYS A 84 9.551 6.178 51.019 1.00 0.00 H ATOM 1125 N GLU A 85 11.239 3.797 47.848 1.00 34.07 N ATOM 1126 CA GLU A 85 11.598 2.421 47.511 1.00 36.34 C ATOM 1127 C GLU A 85 12.971 2.118 48.095 1.00 37.18 C ATOM 1128 O GLU A 85 13.788 3.021 48.263 1.00 37.54 O ATOM 1129 CB GLU A 85 11.652 2.248 45.989 1.00 37.38 C ATOM 1130 CG GLU A 85 10.357 2.577 45.266 1.00 38.90 C ATOM 1131 CD GLU A 85 9.389 1.413 45.230 1.00 40.07 C ATOM 1132 OE1 GLU A 85 9.096 0.841 46.301 1.00 40.88 O ATOM 1133 OE2 GLU A 85 8.916 1.072 44.123 1.00 41.00 O ATOM 1134 HA GLU A 85 10.851 1.741 47.920 1.00 0.00 H ATOM 1135 HB2 GLU A 85 12.433 2.901 45.600 1.00 0.00 H ATOM 1136 HB3 GLU A 85 11.907 1.210 45.774 1.00 0.00 H ATOM 1137 HG2 GLU A 85 9.877 3.413 45.775 1.00 0.00 H ATOM 1138 HG3 GLU A 85 10.594 2.864 44.242 1.00 0.00 H ATOM 1139 H GLU A 85 11.054 4.470 47.077 1.00 0.00 H ATOM 1140 N LYS A 86 13.224 0.853 48.407 1.00 38.17 N ATOM 1141 CA LYS A 86 14.524 0.545 48.922 1.00 38.89 C ATOM 1142 C LYS A 86 15.522 0.179 47.841 1.00 38.74 C ATOM 1143 O LYS A 86 15.671 -0.991 47.453 1.00 39.56 O ATOM 1144 CB LYS A 86 14.466 -0.555 49.938 1.00 39.64 C ATOM 1145 CG LYS A 86 15.837 -0.824 50.554 1.00 40.26 C ATOM 1146 CD LYS A 86 15.924 -0.295 51.973 1.00 40.89 C ATOM 1147 CE LYS A 86 16.790 0.952 52.055 1.00 20.01 C ATOM 1148 NZ LYS A 86 17.578 1.006 53.316 1.00 20.01 N ATOM 1149 HA LYS A 86 14.872 1.462 49.398 1.00 0.00 H ATOM 1150 HB2 LYS A 86 13.772 -0.270 50.729 1.00 0.00 H ATOM 1151 HB3 LYS A 86 14.110 -1.465 49.455 1.00 0.00 H ATOM 1152 HG2 LYS A 86 16.015 -1.899 50.565 1.00 0.00 H ATOM 1153 HG3 LYS A 86 16.600 -0.337 49.947 1.00 0.00 H ATOM 1154 HD2 LYS A 86 14.920 -0.052 52.322 1.00 0.00 H ATOM 1155 HD3 LYS A 86 16.353 -1.066 52.612 1.00 0.00 H ATOM 1156 HE2 LYS A 86 16.147 1.831 52.005 1.00 0.00 H ATOM 1157 HE3 LYS A 86 17.478 0.958 51.210 1.00 0.00 H ATOM 1158 HZ1 LYS A 86 16.929 1.008 54.129 1.00 0.00 H ATOM 1159 HZ2 LYS A 86 18.201 0.175 53.370 1.00 0.00 H ATOM 1160 HZ3 LYS A 86 18.153 1.873 53.327 1.00 0.00 H ATOM 1161 H LYS A 86 12.504 0.113 48.282 1.00 0.00 H ATOM 1162 N GLY A 88 16.212 1.220 47.393 1.00 38.17 N ATOM 1163 CA GLY A 88 17.206 1.069 46.348 1.00 37.13 C ATOM 1164 C GLY A 88 18.578 1.138 46.985 1.00 36.19 C ATOM 1165 O GLY A 88 18.789 0.572 48.058 1.00 36.62 O ATOM 1166 HA3 GLY A 88 17.098 1.870 45.617 1.00 0.00 H ATOM 1167 HA2 GLY A 88 17.077 0.107 45.852 1.00 0.00 H ATOM 1168 H GLY A 88 16.037 2.161 47.799 1.00 0.00 H ATOM 1169 N THR A 89 19.514 1.825 46.339 1.00 35.08 N ATOM 1170 CA THR A 89 20.857 1.953 46.894 1.00 33.94 C ATOM 1171 C THR A 89 20.764 2.891 48.088 1.00 32.89 C ATOM 1172 O THR A 89 19.770 3.600 48.242 1.00 32.48 O ATOM 1173 CB THR A 89 21.849 2.555 45.878 1.00 34.18 C ATOM 1174 OG1 THR A 89 21.574 3.952 45.702 1.00 34.07 O ATOM 1175 CG2 THR A 89 21.727 1.847 44.535 1.00 34.29 C ATOM 1176 HA THR A 89 21.222 0.963 47.168 1.00 0.00 H ATOM 1177 HB THR A 89 22.861 2.424 46.260 1.00 0.00 H ATOM 1178 HG1 THR A 89 22.213 4.333 45.049 1.00 0.00 H ATOM 1179 HG23 THR A 89 21.935 0.785 44.665 1.00 0.00 H ATOM 1180 HG21 THR A 89 20.716 1.975 44.149 1.00 0.00 H ATOM 1181 HG22 THR A 89 22.443 2.276 43.833 1.00 0.00 H ATOM 1182 H THR A 89 19.287 2.276 45.430 1.00 0.00 H ATOM 1183 N SER A 90 21.789 2.889 48.934 1.00 31.65 N ATOM 1184 CA SER A 90 21.797 3.758 50.104 1.00 30.47 C ATOM 1185 C SER A 90 21.592 5.206 49.674 1.00 29.42 C ATOM 1186 O SER A 90 20.806 5.938 50.278 1.00 29.13 O ATOM 1187 CB SER A 90 23.122 3.630 50.859 1.00 30.73 C ATOM 1188 OG SER A 90 23.144 4.492 51.982 1.00 30.67 O ATOM 1189 HA SER A 90 20.985 3.456 50.766 1.00 0.00 H ATOM 1190 HB2 SER A 90 23.942 3.892 50.190 1.00 0.00 H ATOM 1191 HB3 SER A 90 23.244 2.600 51.195 1.00 0.00 H ATOM 1192 HG SER A 90 24.008 4.394 52.455 1.00 0.00 H ATOM 1193 H SER A 90 22.597 2.258 48.759 1.00 0.00 H ATOM 1194 N CYS A 91 22.301 5.613 48.625 1.00 28.26 N ATOM 1195 CA CYS A 91 22.185 6.974 48.118 1.00 27.25 C ATOM 1196 C CYS A 91 20.783 7.301 47.624 1.00 26.64 C ATOM 1197 O CYS A 91 20.230 8.348 47.961 1.00 26.14 O ATOM 1198 CB CYS A 91 23.183 7.215 46.985 1.00 26.72 C ATOM 1199 SG CYS A 91 24.857 7.678 47.530 1.00 26.45 S ATOM 1200 HA CYS A 91 22.406 7.632 48.959 1.00 0.00 H ATOM 1201 HB2 CYS A 91 22.796 8.017 46.357 1.00 0.00 H ATOM 1202 HB3 CYS A 91 23.258 6.300 46.398 1.00 0.00 H ATOM 1203 H CYS A 91 22.950 4.948 48.158 1.00 0.00 H ATOM 1204 N GLU A 92 20.207 6.413 46.819 1.00 26.18 N ATOM 1205 CA GLU A 92 18.871 6.648 46.288 1.00 25.97 C ATOM 1206 C GLU A 92 17.849 6.790 47.411 1.00 25.30 C ATOM 1207 O GLU A 92 16.971 7.650 47.355 1.00 24.80 O ATOM 1208 CB GLU A 92 18.465 5.509 45.350 1.00 27.58 C ATOM 1209 CG GLU A 92 19.483 5.244 44.257 1.00 29.92 C ATOM 1210 CD GLU A 92 19.095 4.080 43.366 1.00 31.28 C ATOM 1211 OE1 GLU A 92 18.549 3.084 43.886 1.00 32.34 O ATOM 1212 OE2 GLU A 92 19.350 4.157 42.148 1.00 32.81 O ATOM 1213 HA GLU A 92 18.892 7.582 45.727 1.00 0.00 H ATOM 1214 HB2 GLU A 92 18.345 4.600 45.940 1.00 0.00 H ATOM 1215 HB3 GLU A 92 17.514 5.766 44.883 1.00 0.00 H ATOM 1216 HG2 GLU A 92 19.575 6.139 43.642 1.00 0.00 H ATOM 1217 HG3 GLU A 92 20.444 5.023 44.721 1.00 0.00 H ATOM 1218 H GLU A 92 20.716 5.542 46.566 1.00 0.00 H ATOM 1219 N ASN A 93 17.972 5.953 48.437 1.00 24.12 N ATOM 1220 CA ASN A 93 17.045 6.004 49.561 1.00 23.85 C ATOM 1221 C ASN A 93 17.167 7.321 50.317 1.00 22.53 C ATOM 1222 O ASN A 93 16.166 7.965 50.629 1.00 22.40 O ATOM 1223 CB ASN A 93 17.303 4.843 50.530 1.00 25.50 C ATOM 1224 CG ASN A 93 17.164 3.486 49.868 1.00 27.88 C ATOM 1225 OD1 ASN A 93 16.198 3.228 49.154 1.00 29.73 O ATOM 1226 ND2 ASN A 93 18.129 2.604 50.113 1.00 29.12 N ATOM 1227 HA ASN A 93 16.037 5.921 49.154 1.00 0.00 H ATOM 1228 HB2 ASN A 93 18.315 4.937 50.925 1.00 0.00 H ATOM 1229 HB3 ASN A 93 16.587 4.907 51.349 1.00 0.00 H ATOM 1230 HD22 ASN A 93 18.929 2.865 50.724 1.00 0.00 H ATOM 1231 HD21 ASN A 93 18.083 1.653 49.694 1.00 0.00 H ATOM 1232 H ASN A 93 18.740 5.252 48.438 1.00 0.00 H ATOM 1233 N ARG A 94 18.399 7.726 50.606 1.00 21.22 N ATOM 1234 CA ARG A 94 18.615 8.965 51.339 1.00 20.18 C ATOM 1235 C ARG A 94 18.191 10.196 50.548 1.00 19.32 C ATOM 1236 O ARG A 94 17.592 11.115 51.105 1.00 18.38 O ATOM 1237 CB ARG A 94 20.082 9.079 51.769 1.00 20.89 C ATOM 1238 CG ARG A 94 20.462 8.134 52.913 1.00 21.91 C ATOM 1239 CD ARG A 94 21.951 8.224 53.229 1.00 22.58 C ATOM 1240 NE ARG A 94 22.765 7.530 52.233 1.00 23.42 N ATOM 1241 CZ ARG A 94 24.022 7.843 51.940 1.00 23.35 C ATOM 1242 NH1 ARG A 94 24.623 8.850 52.562 1.00 23.44 N ATOM 1243 NH2 ARG A 94 24.684 7.143 51.026 1.00 24.04 N ATOM 1244 HA ARG A 94 17.982 8.928 52.225 1.00 0.00 H ATOM 1245 HB2 ARG A 94 20.712 8.850 50.909 1.00 0.00 H ATOM 1246 HB3 ARG A 94 20.268 10.103 52.092 1.00 0.00 H ATOM 1247 HG2 ARG A 94 19.892 8.404 53.802 1.00 0.00 H ATOM 1248 HG3 ARG A 94 20.220 7.111 52.625 1.00 0.00 H ATOM 1249 HD2 ARG A 94 22.131 7.775 54.206 1.00 0.00 H ATOM 1250 HD3 ARG A 94 22.243 9.274 53.253 1.00 0.00 H ATOM 1251 HE ARG A 94 22.330 6.737 51.719 1.00 0.00 H ATOM 1252 HH12 ARG A 94 25.607 9.092 52.329 1.00 0.00 H ATOM 1253 HH11 ARG A 94 24.109 9.397 53.282 1.00 0.00 H ATOM 1254 HH22 ARG A 94 25.668 7.388 50.796 1.00 0.00 H ATOM 1255 HH21 ARG A 94 24.218 6.350 50.540 1.00 0.00 H ATOM 1256 H ARG A 94 19.214 7.154 50.307 1.00 0.00 H ATOM 1257 N ILE A 95 18.501 10.223 49.255 1.00 18.91 N ATOM 1258 CA ILE A 95 18.115 11.358 48.417 1.00 19.14 C ATOM 1259 C ILE A 95 16.591 11.447 48.403 1.00 19.04 C ATOM 1260 O ILE A 95 16.013 12.527 48.546 1.00 18.98 O ATOM 1261 CB ILE A 95 18.617 11.174 46.967 1.00 19.32 C ATOM 1262 CG1 ILE A 95 20.144 11.206 46.945 1.00 20.07 C ATOM 1263 CG2 ILE A 95 18.050 12.275 46.064 1.00 19.68 C ATOM 1264 CD1 ILE A 95 20.735 10.890 45.581 1.00 20.43 C ATOM 1265 HA ILE A 95 18.560 12.266 48.824 1.00 0.00 H ATOM 1266 HB ILE A 95 18.275 10.210 46.591 1.00 0.00 H ATOM 1267 HG12 ILE A 95 20.473 12.202 47.242 1.00 0.00 H ATOM 1268 HG13 ILE A 95 20.516 10.473 47.661 1.00 0.00 H ATOM 1269 HD11 ILE A 95 20.424 9.892 45.274 1.00 0.00 H ATOM 1270 HD12 ILE A 95 20.381 11.622 44.855 1.00 0.00 H ATOM 1271 HD13 ILE A 95 21.823 10.931 45.639 1.00 0.00 H ATOM 1272 HG21 ILE A 95 16.961 12.226 46.073 1.00 0.00 H ATOM 1273 HG22 ILE A 95 18.374 13.248 46.433 1.00 0.00 H ATOM 1274 HG23 ILE A 95 18.413 12.131 45.046 1.00 0.00 H ATOM 1275 H ILE A 95 19.024 9.428 48.835 1.00 0.00 H ATOM 1276 N CYS A 96 15.949 10.298 48.232 1.00 18.55 N ATOM 1277 CA CYS A 96 14.496 10.235 48.204 1.00 18.86 C ATOM 1278 C CYS A 96 13.899 10.791 49.495 1.00 18.46 C ATOM 1279 O CYS A 96 12.936 11.558 49.456 1.00 18.29 O ATOM 1280 CB CYS A 96 14.036 8.790 47.997 1.00 20.50 C ATOM 1281 SG CYS A 96 12.231 8.577 47.911 1.00 22.50 S ATOM 1282 HA CYS A 96 14.146 10.847 47.373 1.00 0.00 H ATOM 1283 HB2 CYS A 96 14.411 8.191 48.827 1.00 0.00 H ATOM 1284 HB3 CYS A 96 14.467 8.426 47.064 1.00 0.00 H ATOM 1285 H CYS A 96 16.498 9.422 48.115 1.00 0.00 H ATOM 1286 N GLU A 97 14.475 10.408 50.633 1.00 18.24 N ATOM 1287 CA GLU A 97 13.977 10.884 51.924 1.00 18.07 C ATOM 1288 C GLU A 97 14.165 12.393 52.074 1.00 17.49 C ATOM 1289 O GLU A 97 13.318 13.069 52.661 1.00 16.44 O ATOM 1290 CB GLU A 97 14.671 10.156 53.079 1.00 19.08 C ATOM 1291 CG GLU A 97 14.267 8.692 53.262 1.00 19.91 C ATOM 1292 CD GLU A 97 12.789 8.493 53.597 1.00 20.24 C ATOM 1293 OE1 GLU A 97 12.145 9.432 54.110 1.00 21.13 O ATOM 1294 OE2 GLU A 97 12.269 7.379 53.359 1.00 21.34 O ATOM 1295 HA GLU A 97 12.910 10.666 51.959 1.00 0.00 H ATOM 1296 HB2 GLU A 97 15.746 10.190 52.902 1.00 0.00 H ATOM 1297 HB3 GLU A 97 14.439 10.688 54.002 1.00 0.00 H ATOM 1298 HG2 GLU A 97 14.484 8.158 52.337 1.00 0.00 H ATOM 1299 HG3 GLU A 97 14.862 8.270 54.072 1.00 0.00 H ATOM 1300 H GLU A 97 15.290 9.762 50.604 1.00 0.00 H ATOM 1301 N CYS A 98 15.275 12.926 51.565 1.00 16.88 N ATOM 1302 CA CYS A 98 15.492 14.371 51.648 1.00 16.39 C ATOM 1303 C CYS A 98 14.407 15.072 50.837 1.00 16.49 C ATOM 1304 O CYS A 98 13.818 16.060 51.276 1.00 15.72 O ATOM 1305 CB CYS A 98 16.850 14.768 51.069 1.00 16.48 C ATOM 1306 SG CYS A 98 18.332 14.401 52.055 1.00 18.61 S ATOM 1307 HA CYS A 98 15.461 14.662 52.698 1.00 0.00 H ATOM 1308 HB2 CYS A 98 16.830 15.845 50.901 1.00 0.00 H ATOM 1309 HB3 CYS A 98 16.959 14.254 50.114 1.00 0.00 H ATOM 1310 H CYS A 98 15.985 12.317 51.110 1.00 0.00 H ATOM 1311 N ASP A 99 14.157 14.558 49.635 1.00 16.41 N ATOM 1312 CA ASP A 99 13.150 15.136 48.755 1.00 16.44 C ATOM 1313 C ASP A 99 11.749 15.031 49.344 1.00 16.22 C ATOM 1314 O ASP A 99 10.975 15.987 49.300 1.00 15.49 O ATOM 1315 CB ASP A 99 13.190 14.447 47.387 1.00 16.90 C ATOM 1316 CG ASP A 99 14.444 14.781 46.600 1.00 18.00 C ATOM 1317 OD1 ASP A 99 15.223 15.654 47.042 1.00 18.24 O ATOM 1318 OD2 ASP A 99 14.645 14.172 45.524 1.00 18.50 O ATOM 1319 HA ASP A 99 13.384 16.195 48.642 1.00 0.00 H ATOM 1320 HB2 ASP A 99 13.150 13.368 47.538 1.00 0.00 H ATOM 1321 HB3 ASP A 99 12.321 14.765 46.811 1.00 0.00 H ATOM 1322 H ASP A 99 14.692 13.725 49.317 1.00 0.00 H ATOM 1323 N LYS A 100 11.429 13.864 49.897 1.00 16.08 N ATOM 1324 CA LYS A 100 10.120 13.637 50.501 1.00 16.05 C ATOM 1325 C LYS A 100 9.839 14.647 51.611 1.00 16.20 C ATOM 1326 O LYS A 100 8.769 15.263 51.647 1.00 16.31 O ATOM 1327 CB LYS A 100 10.040 12.219 51.070 1.00 16.59 C ATOM 1328 CG LYS A 100 8.782 11.953 51.898 1.00 17.84 C ATOM 1329 CD LYS A 100 8.799 10.549 52.497 1.00 18.07 C ATOM 1330 CE LYS A 100 7.602 10.328 53.414 1.00 19.50 C ATOM 1331 NZ LYS A 100 7.572 8.938 53.984 1.00 19.58 N ATOM 1332 HA LYS A 100 9.368 13.762 49.722 1.00 0.00 H ATOM 1333 HB2 LYS A 100 10.060 11.514 50.239 1.00 0.00 H ATOM 1334 HB3 LYS A 100 10.910 12.054 51.705 1.00 0.00 H ATOM 1335 HG2 LYS A 100 8.727 12.683 52.705 1.00 0.00 H ATOM 1336 HG3 LYS A 100 7.906 12.055 51.257 1.00 0.00 H ATOM 1337 HD2 LYS A 100 8.769 9.817 51.690 1.00 0.00 H ATOM 1338 HD3 LYS A 100 9.716 10.418 53.071 1.00 0.00 H ATOM 1339 HE2 LYS A 100 6.688 10.494 52.844 1.00 0.00 H ATOM 1340 HE3 LYS A 100 7.652 11.043 54.235 1.00 0.00 H ATOM 1341 HZ1 LYS A 100 7.517 8.248 53.208 1.00 0.00 H ATOM 1342 HZ2 LYS A 100 8.438 8.772 54.536 1.00 0.00 H ATOM 1343 HZ3 LYS A 100 6.741 8.835 54.601 1.00 0.00 H ATOM 1344 H LYS A 100 12.129 13.095 49.899 1.00 0.00 H ATOM 1345 N ALA A 101 10.801 14.816 52.514 1.00 16.06 N ATOM 1346 CA ALA A 101 10.634 15.755 53.617 1.00 15.62 C ATOM 1347 C ALA A 101 10.408 17.180 53.126 1.00 15.85 C ATOM 1348 O ALA A 101 9.624 17.924 53.713 1.00 15.78 O ATOM 1349 CB ALA A 101 11.852 15.705 54.545 1.00 16.25 C ATOM 1350 HA ALA A 101 9.744 15.453 54.170 1.00 0.00 H ATOM 1351 HB1 ALA A 101 11.960 14.698 54.947 1.00 0.00 H ATOM 1352 HB2 ALA A 101 12.747 15.971 53.982 1.00 0.00 H ATOM 1353 HB3 ALA A 101 11.713 16.411 55.363 1.00 0.00 H ATOM 1354 H ALA A 101 11.683 14.272 52.432 1.00 0.00 H ATOM 1355 N ALA A 102 11.089 17.560 52.049 1.00 15.10 N ATOM 1356 CA ALA A 102 10.943 18.909 51.510 1.00 15.13 C ATOM 1357 C ALA A 102 9.594 19.116 50.831 1.00 14.79 C ATOM 1358 O ALA A 102 8.957 20.146 51.023 1.00 15.52 O ATOM 1359 CB ALA A 102 12.072 19.209 50.532 1.00 14.26 C ATOM 1360 HA ALA A 102 10.994 19.601 52.351 1.00 0.00 H ATOM 1361 HB1 ALA A 102 13.029 19.132 51.049 1.00 0.00 H ATOM 1362 HB2 ALA A 102 12.041 18.491 49.712 1.00 0.00 H ATOM 1363 HB3 ALA A 102 11.951 20.218 50.138 1.00 0.00 H ATOM 1364 H ALA A 102 11.733 16.888 51.585 1.00 0.00 H ATOM 1365 N ALA A 103 9.162 18.142 50.031 1.00 15.33 N ATOM 1366 CA ALA A 103 7.882 18.251 49.340 1.00 15.63 C ATOM 1367 C ALA A 103 6.748 18.376 50.349 1.00 15.75 C ATOM 1368 O ALA A 103 5.828 19.169 50.173 1.00 15.61 O ATOM 1369 CB ALA A 103 7.659 17.034 48.444 1.00 15.09 C ATOM 1370 HA ALA A 103 7.897 19.145 48.717 1.00 0.00 H ATOM 1371 HB1 ALA A 103 8.459 16.976 47.706 1.00 0.00 H ATOM 1372 HB2 ALA A 103 7.660 16.131 49.054 1.00 0.00 H ATOM 1373 HB3 ALA A 103 6.700 17.130 47.935 1.00 0.00 H ATOM 1374 H ALA A 103 9.746 17.292 49.897 1.00 0.00 H ATOM 1375 N ILE A 104 6.826 17.590 51.415 1.00 15.97 N ATOM 1376 CA ILE A 104 5.802 17.627 52.441 1.00 16.48 C ATOM 1377 C ILE A 104 5.887 18.964 53.169 1.00 16.75 C ATOM 1378 O ILE A 104 4.861 19.575 53.476 1.00 18.10 O ATOM 1379 CB ILE A 104 5.975 16.434 53.411 1.00 16.39 C ATOM 1380 CG1 ILE A 104 5.630 15.140 52.664 1.00 16.25 C ATOM 1381 CG2 ILE A 104 5.083 16.605 54.638 1.00 16.58 C ATOM 1382 CD1 ILE A 104 5.895 13.851 53.434 1.00 17.99 C ATOM 1383 HA ILE A 104 4.813 17.536 51.992 1.00 0.00 H ATOM 1384 HB ILE A 104 7.007 16.390 53.759 1.00 0.00 H ATOM 1385 HG12 ILE A 104 4.570 15.169 52.411 1.00 0.00 H ATOM 1386 HG13 ILE A 104 6.220 15.112 51.748 1.00 0.00 H ATOM 1387 HD11 ILE A 104 6.954 13.790 53.685 1.00 0.00 H ATOM 1388 HD12 ILE A 104 5.303 13.847 54.349 1.00 0.00 H ATOM 1389 HD13 ILE A 104 5.617 12.997 52.817 1.00 0.00 H ATOM 1390 HG21 ILE A 104 5.353 17.525 55.157 1.00 0.00 H ATOM 1391 HG22 ILE A 104 4.041 16.657 54.323 1.00 0.00 H ATOM 1392 HG23 ILE A 104 5.220 15.755 55.307 1.00 0.00 H ATOM 1393 H ILE A 104 7.631 16.940 51.516 1.00 0.00 H ATOM 1394 N CYS A 105 7.109 19.422 53.427 1.00 16.81 N ATOM 1395 CA CYS A 105 7.308 20.704 54.094 1.00 16.11 C ATOM 1396 C CYS A 105 6.651 21.813 53.269 1.00 16.34 C ATOM 1397 O CYS A 105 6.014 22.709 53.823 1.00 15.88 O ATOM 1398 CB CYS A 105 8.800 20.985 54.257 1.00 16.71 C ATOM 1399 SG CYS A 105 9.234 22.496 55.178 1.00 16.85 S ATOM 1400 HA CYS A 105 6.851 20.671 55.083 1.00 0.00 H ATOM 1401 HB2 CYS A 105 9.235 21.065 53.261 1.00 0.00 H ATOM 1402 HB3 CYS A 105 9.244 20.137 54.779 1.00 0.00 H ATOM 1403 H CYS A 105 7.936 18.857 53.149 1.00 0.00 H ATOM 1404 N PHE A 106 6.795 21.745 51.946 1.00 16.36 N ATOM 1405 CA PHE A 106 6.189 22.747 51.066 1.00 17.25 C ATOM 1406 C PHE A 106 4.671 22.798 51.224 1.00 17.61 C ATOM 1407 O PHE A 106 4.094 23.869 51.407 1.00 18.15 O ATOM 1408 CB PHE A 106 6.476 22.465 49.584 1.00 16.59 C ATOM 1409 CG PHE A 106 7.903 22.702 49.165 1.00 16.80 C ATOM 1410 CD1 PHE A 106 8.708 23.617 49.833 1.00 17.07 C ATOM 1411 CD2 PHE A 106 8.428 22.022 48.068 1.00 17.16 C ATOM 1412 CE1 PHE A 106 10.016 23.853 49.419 1.00 17.05 C ATOM 1413 CE2 PHE A 106 9.737 22.253 47.646 1.00 16.71 C ATOM 1414 CZ PHE A 106 10.531 23.171 48.324 1.00 17.23 C ATOM 1415 HA PHE A 106 6.636 23.696 51.363 1.00 0.00 H ATOM 1416 HB2 PHE A 106 6.231 21.422 49.383 1.00 0.00 H ATOM 1417 HB3 PHE A 106 5.834 23.110 48.984 1.00 0.00 H ATOM 1418 HD2 PHE A 106 7.809 21.301 47.534 1.00 0.00 H ATOM 1419 HE2 PHE A 106 10.137 21.715 46.786 1.00 0.00 H ATOM 1420 HZ PHE A 106 11.554 23.355 47.997 1.00 0.00 H ATOM 1421 HE1 PHE A 106 10.636 24.573 49.954 1.00 0.00 H ATOM 1422 HD1 PHE A 106 8.310 24.157 50.692 1.00 0.00 H ATOM 1423 H PHE A 106 7.347 20.967 51.531 1.00 0.00 H ATOM 1424 N ARG A 107 4.011 21.647 51.140 1.00 18.87 N ATOM 1425 CA ARG A 107 2.561 21.664 51.252 1.00 19.83 C ATOM 1426 C ARG A 107 2.070 22.026 52.649 1.00 20.07 C ATOM 1427 O ARG A 107 1.025 22.661 52.785 1.00 20.22 O ATOM 1428 CB ARG A 107 1.947 20.336 50.789 1.00 21.83 C ATOM 1429 CG ARG A 107 2.177 19.143 51.678 1.00 23.05 C ATOM 1430 CD ARG A 107 1.191 18.030 51.310 1.00 23.68 C ATOM 1431 NE ARG A 107 1.381 16.849 52.140 1.00 24.73 N ATOM 1432 CZ ARG A 107 1.102 16.794 53.436 1.00 25.06 C ATOM 1433 NH1 ARG A 107 0.607 17.857 54.056 1.00 25.73 N ATOM 1434 NH2 ARG A 107 1.337 15.680 54.116 1.00 25.99 N ATOM 1435 HA ARG A 107 2.221 22.457 50.586 1.00 0.00 H ATOM 1436 HB2 ARG A 107 0.870 20.481 50.702 1.00 0.00 H ATOM 1437 HB3 ARG A 107 2.362 20.103 49.808 1.00 0.00 H ATOM 1438 HG2 ARG A 107 3.197 18.783 51.545 1.00 0.00 H ATOM 1439 HG3 ARG A 107 2.027 19.431 52.718 1.00 0.00 H ATOM 1440 HD2 ARG A 107 1.340 17.756 50.266 1.00 0.00 H ATOM 1441 HD3 ARG A 107 0.174 18.399 51.446 1.00 0.00 H ATOM 1442 HE ARG A 107 1.760 15.993 51.688 1.00 0.00 H ATOM 1443 HH12 ARG A 107 0.389 17.812 55.072 1.00 0.00 H ATOM 1444 HH11 ARG A 107 0.437 18.736 53.526 1.00 0.00 H ATOM 1445 HH22 ARG A 107 1.119 15.635 55.132 1.00 0.00 H ATOM 1446 HH21 ARG A 107 1.739 14.851 53.633 1.00 0.00 H ATOM 1447 H ARG A 107 4.521 20.752 50.997 1.00 0.00 H ATOM 1448 N GLN A 108 2.819 21.642 53.681 1.00 19.87 N ATOM 1449 CA GLN A 108 2.424 21.963 55.052 1.00 20.00 C ATOM 1450 C GLN A 108 2.456 23.471 55.271 1.00 20.14 C ATOM 1451 O GLN A 108 1.746 23.999 56.131 1.00 19.10 O ATOM 1452 CB GLN A 108 3.367 21.305 56.061 1.00 20.59 C ATOM 1453 CG GLN A 108 3.330 19.783 56.082 1.00 22.15 C ATOM 1454 CD GLN A 108 4.364 19.216 57.030 1.00 22.06 C ATOM 1455 OE1 GLN A 108 5.493 19.703 57.086 1.00 23.66 O ATOM 1456 NE2 GLN A 108 3.992 18.181 57.777 1.00 23.81 N ATOM 1457 HA GLN A 108 1.413 21.584 55.202 1.00 0.00 H ATOM 1458 HB2 GLN A 108 4.385 21.615 55.824 1.00 0.00 H ATOM 1459 HB3 GLN A 108 3.101 21.663 57.056 1.00 0.00 H ATOM 1460 HG2 GLN A 108 2.340 19.457 56.401 1.00 0.00 H ATOM 1461 HG3 GLN A 108 3.528 19.410 55.077 1.00 0.00 H ATOM 1462 HE22 GLN A 108 3.027 17.802 57.697 1.00 0.00 H ATOM 1463 HE21 GLN A 108 4.666 17.751 58.442 1.00 0.00 H ATOM 1464 H GLN A 108 3.695 21.108 53.510 1.00 0.00 H ATOM 1465 N ASN A 109 3.272 24.158 54.477 1.00 20.10 N ATOM 1466 CA ASN A 109 3.432 25.606 54.593 1.00 20.52 C ATOM 1467 C ASN A 109 2.840 26.421 53.445 1.00 20.66 C ATOM 1468 O ASN A 109 3.152 27.608 53.284 1.00 20.94 O ATOM 1469 CB ASN A 109 4.920 25.930 54.755 1.00 20.48 C ATOM 1470 CG ASN A 109 5.465 25.477 56.097 1.00 20.92 C ATOM 1471 OD1 ASN A 109 5.167 26.078 57.130 1.00 20.99 O ATOM 1472 ND2 ASN A 109 6.249 24.404 56.092 1.00 19.95 N ATOM 1473 HA ASN A 109 2.858 25.903 55.471 1.00 0.00 H ATOM 1474 HB2 ASN A 109 5.476 25.429 53.963 1.00 0.00 H ATOM 1475 HB3 ASN A 109 5.056 27.008 54.667 1.00 0.00 H ATOM 1476 HD22 ASN A 109 6.474 23.928 55.195 1.00 0.00 H ATOM 1477 HD21 ASN A 109 6.638 24.040 56.985 1.00 0.00 H ATOM 1478 H ASN A 109 3.814 23.648 53.750 1.00 0.00 H ATOM 1479 N LEU A 110 1.980 25.802 52.644 1.00 21.08 N ATOM 1480 CA LEU A 110 1.373 26.531 51.543 1.00 21.21 C ATOM 1481 C LEU A 110 0.535 27.725 52.006 1.00 21.61 C ATOM 1482 O LEU A 110 0.343 28.676 51.247 1.00 21.62 O ATOM 1483 CB LEU A 110 0.522 25.596 50.676 1.00 22.11 C ATOM 1484 CG LEU A 110 1.271 24.939 49.511 1.00 22.77 C ATOM 1485 CD1 LEU A 110 0.333 24.032 48.730 1.00 23.34 C ATOM 1486 CD2 LEU A 110 1.830 26.023 48.603 1.00 22.87 C ATOM 1487 HA LEU A 110 2.196 26.929 50.949 1.00 0.00 H ATOM 1488 HB2 LEU A 110 0.128 24.806 51.315 1.00 0.00 H ATOM 1489 HB3 LEU A 110 -0.305 26.174 50.264 1.00 0.00 H ATOM 1490 HG LEU A 110 2.090 24.334 49.900 1.00 0.00 H ATOM 1491 HD21 LEU A 110 1.011 26.630 48.217 1.00 0.00 H ATOM 1492 HD22 LEU A 110 2.515 26.653 49.171 1.00 0.00 H ATOM 1493 HD23 LEU A 110 2.364 25.560 47.773 1.00 0.00 H ATOM 1494 HD11 LEU A 110 -0.053 23.256 49.390 1.00 0.00 H ATOM 1495 HD12 LEU A 110 -0.495 24.621 48.336 1.00 0.00 H ATOM 1496 HD13 LEU A 110 0.878 23.572 47.906 1.00 0.00 H ATOM 1497 H LEU A 110 1.743 24.802 52.804 1.00 0.00 H ATOM 1498 N ASN A 111 0.051 27.709 53.247 1.00 21.23 N ATOM 1499 CA ASN A 111 -0.758 28.834 53.690 1.00 22.03 C ATOM 1500 C ASN A 111 0.025 30.128 53.887 1.00 21.91 C ATOM 1501 O ASN A 111 -0.577 31.186 54.090 1.00 22.10 O ATOM 1502 CB ASN A 111 -1.539 28.510 54.964 1.00 22.94 C ATOM 1503 CG ASN A 111 -2.859 29.267 55.031 1.00 24.70 C ATOM 1504 OD1 ASN A 111 -3.474 29.392 56.092 1.00 26.75 O ATOM 1505 ND2 ASN A 111 -3.305 29.773 53.883 1.00 24.52 N ATOM 1506 HA ASN A 111 -1.455 29.005 52.869 1.00 0.00 H ATOM 1507 HB2 ASN A 111 -1.745 27.440 54.989 1.00 0.00 H ATOM 1508 HB3 ASN A 111 -0.933 28.782 55.828 1.00 0.00 H ATOM 1509 HD22 ASN A 111 -2.755 29.645 53.010 1.00 0.00 H ATOM 1510 HD21 ASN A 111 -4.203 30.296 53.860 1.00 0.00 H ATOM 1511 H ASN A 111 0.247 26.911 53.884 1.00 0.00 H ATOM 1512 N THR A 112 1.356 30.059 53.842 1.00 21.42 N ATOM 1513 CA THR A 112 2.165 31.272 53.968 1.00 21.46 C ATOM 1514 C THR A 112 3.049 31.479 52.737 1.00 21.45 C ATOM 1515 O THR A 112 3.945 32.318 52.742 1.00 21.62 O ATOM 1516 CB THR A 112 3.059 31.287 55.247 1.00 21.15 C ATOM 1517 OG1 THR A 112 3.952 30.169 55.246 1.00 20.64 O ATOM 1518 CG2 THR A 112 2.196 31.259 56.499 1.00 20.88 C ATOM 1519 HA THR A 112 1.450 32.090 54.053 1.00 0.00 H ATOM 1520 HB THR A 112 3.645 32.206 55.244 1.00 0.00 H ATOM 1521 HG1 THR A 112 4.533 30.213 54.446 1.00 0.00 H ATOM 1522 HG23 THR A 112 1.519 32.113 56.491 1.00 0.00 H ATOM 1523 HG21 THR A 112 1.617 30.336 56.519 1.00 0.00 H ATOM 1524 HG22 THR A 112 2.835 31.308 57.381 1.00 0.00 H ATOM 1525 H THR A 112 1.822 29.138 53.717 1.00 0.00 H ATOM 1526 N TYR A 113 2.797 30.706 51.685 1.00 21.69 N ATOM 1527 CA TYR A 113 3.556 30.851 50.447 1.00 21.88 C ATOM 1528 C TYR A 113 3.219 32.243 49.919 1.00 22.60 C ATOM 1529 O TYR A 113 2.042 32.588 49.771 1.00 22.65 O ATOM 1530 CB TYR A 113 3.137 29.768 49.443 1.00 21.52 C ATOM 1531 CG TYR A 113 3.819 29.848 48.094 1.00 21.48 C ATOM 1532 CD1 TYR A 113 3.426 30.795 47.149 1.00 21.34 C ATOM 1533 CD2 TYR A 113 4.859 28.974 47.760 1.00 21.39 C ATOM 1534 CE1 TYR A 113 4.047 30.872 45.907 1.00 21.93 C ATOM 1535 CE2 TYR A 113 5.492 29.047 46.516 1.00 21.43 C ATOM 1536 CZ TYR A 113 5.077 29.999 45.597 1.00 21.39 C ATOM 1537 OH TYR A 113 5.693 30.088 44.370 1.00 22.62 O ATOM 1538 HA TYR A 113 4.628 30.738 50.607 1.00 0.00 H ATOM 1539 HB3 TYR A 113 2.062 29.852 49.284 1.00 0.00 H ATOM 1540 HB2 TYR A 113 3.364 28.796 49.880 1.00 0.00 H ATOM 1541 HD2 TYR A 113 5.181 28.224 48.482 1.00 0.00 H ATOM 1542 HE2 TYR A 113 6.304 28.362 46.271 1.00 0.00 H ATOM 1543 HE1 TYR A 113 3.724 31.617 45.180 1.00 0.00 H ATOM 1544 HD1 TYR A 113 2.618 31.487 47.388 1.00 0.00 H ATOM 1545 HH TYR A 113 6.655 30.283 44.498 1.00 0.00 H ATOM 1546 H TYR A 113 2.048 29.987 51.745 1.00 0.00 H ATOM 1547 N SER A 114 4.245 33.047 49.651 1.00 23.17 N ATOM 1548 CA SER A 114 4.029 34.405 49.169 1.00 23.88 C ATOM 1549 C SER A 114 4.579 34.659 47.777 1.00 24.06 C ATOM 1550 O SER A 114 5.766 34.481 47.519 1.00 23.37 O ATOM 1551 CB SER A 114 4.640 35.414 50.142 1.00 24.50 C ATOM 1552 OG SER A 114 3.993 35.350 51.398 1.00 26.67 O ATOM 1553 HA SER A 114 2.948 34.530 49.109 1.00 0.00 H ATOM 1554 HB2 SER A 114 4.530 36.418 49.733 1.00 0.00 H ATOM 1555 HB3 SER A 114 5.699 35.190 50.272 1.00 0.00 H ATOM 1556 HG SER A 114 4.094 34.440 51.774 1.00 0.00 H ATOM 1557 H SER A 114 5.216 32.701 49.788 1.00 0.00 H ATOM 1558 N LYS A 115 3.696 35.093 46.887 1.00 24.51 N ATOM 1559 CA LYS A 115 4.063 35.381 45.508 1.00 25.20 C ATOM 1560 C LYS A 115 5.218 36.372 45.393 1.00 25.12 C ATOM 1561 O LYS A 115 5.989 36.324 44.433 1.00 24.51 O ATOM 1562 CB LYS A 115 2.847 35.929 44.760 1.00 26.67 C ATOM 1563 CG LYS A 115 1.695 34.944 44.658 1.00 28.53 C ATOM 1564 CD LYS A 115 0.507 35.566 43.945 1.00 29.70 C ATOM 1565 CE LYS A 115 -0.622 34.560 43.780 1.00 30.93 C ATOM 1566 NZ LYS A 115 -1.764 35.128 43.007 1.00 31.59 N ATOM 1567 HA LYS A 115 4.399 34.444 45.065 1.00 0.00 H ATOM 1568 HB2 LYS A 115 2.494 36.818 45.282 1.00 0.00 H ATOM 1569 HB3 LYS A 115 3.157 36.201 43.751 1.00 0.00 H ATOM 1570 HG2 LYS A 115 2.025 34.066 44.102 1.00 0.00 H ATOM 1571 HG3 LYS A 115 1.392 34.645 45.661 1.00 0.00 H ATOM 1572 HD2 LYS A 115 0.146 36.414 44.527 1.00 0.00 H ATOM 1573 HD3 LYS A 115 0.823 35.911 42.961 1.00 0.00 H ATOM 1574 HE2 LYS A 115 -0.977 34.263 44.767 1.00 0.00 H ATOM 1575 HE3 LYS A 115 -0.241 33.685 43.254 1.00 0.00 H ATOM 1576 HZ1 LYS A 115 -2.139 35.960 43.506 1.00 0.00 H ATOM 1577 HZ2 LYS A 115 -1.435 35.408 42.061 1.00 0.00 H ATOM 1578 HZ3 LYS A 115 -2.511 34.410 42.917 1.00 0.00 H ATOM 1579 H LYS A 115 2.709 35.232 47.184 1.00 0.00 H ATOM 1580 N LYS A 116 5.347 37.259 46.374 1.00 24.91 N ATOM 1581 CA LYS A 116 6.404 38.262 46.335 1.00 25.43 C ATOM 1582 C LYS A 116 7.812 37.681 46.434 1.00 24.94 C ATOM 1583 O LYS A 116 8.781 38.351 46.087 1.00 25.04 O ATOM 1584 CB LYS A 116 6.194 39.313 47.433 1.00 26.48 C ATOM 1585 CG LYS A 116 6.351 38.801 48.851 1.00 27.67 C ATOM 1586 CD LYS A 116 6.256 39.945 49.848 1.00 29.18 C ATOM 1587 CE LYS A 116 6.503 39.467 51.263 1.00 29.89 C ATOM 1588 NZ LYS A 116 6.485 40.591 52.241 1.00 31.69 N ATOM 1589 HA LYS A 116 6.330 38.729 45.353 1.00 0.00 H ATOM 1590 HB2 LYS A 116 6.920 40.112 47.280 1.00 0.00 H ATOM 1591 HB3 LYS A 116 5.186 39.715 47.328 1.00 0.00 H ATOM 1592 HG2 LYS A 116 5.563 38.077 49.060 1.00 0.00 H ATOM 1593 HG3 LYS A 116 7.323 38.318 48.952 1.00 0.00 H ATOM 1594 HD2 LYS A 116 7.000 40.700 49.594 1.00 0.00 H ATOM 1595 HD3 LYS A 116 5.260 40.384 49.791 1.00 0.00 H ATOM 1596 HE2 LYS A 116 7.476 38.978 51.305 1.00 0.00 H ATOM 1597 HE3 LYS A 116 5.727 38.751 51.534 1.00 0.00 H ATOM 1598 HZ1 LYS A 116 7.228 41.276 51.994 1.00 0.00 H ATOM 1599 HZ2 LYS A 116 5.557 41.059 52.212 1.00 0.00 H ATOM 1600 HZ3 LYS A 116 6.658 40.220 53.197 1.00 0.00 H ATOM 1601 H LYS A 116 4.687 37.237 47.178 1.00 0.00 H ATOM 1602 N TYR A 117 7.936 36.440 46.899 1.00 24.17 N ATOM 1603 CA TYR A 117 9.258 35.829 46.999 1.00 23.50 C ATOM 1604 C TYR A 117 9.615 35.004 45.775 1.00 23.43 C ATOM 1605 O TYR A 117 10.666 34.361 45.730 1.00 22.21 O ATOM 1606 CB TYR A 117 9.375 34.969 48.257 1.00 23.49 C ATOM 1607 CG TYR A 117 9.310 35.780 49.526 1.00 23.97 C ATOM 1608 CD1 TYR A 117 10.049 36.956 49.658 1.00 24.19 C ATOM 1609 CD2 TYR A 117 8.503 35.384 50.591 1.00 24.05 C ATOM 1610 CE1 TYR A 117 9.980 37.720 50.818 1.00 24.98 C ATOM 1611 CE2 TYR A 117 8.429 36.141 51.755 1.00 24.67 C ATOM 1612 CZ TYR A 117 9.169 37.308 51.859 1.00 24.86 C ATOM 1613 OH TYR A 117 9.101 38.070 53.003 1.00 25.48 O ATOM 1614 HA TYR A 117 9.970 36.652 47.061 1.00 0.00 H ATOM 1615 HB3 TYR A 117 10.327 34.439 48.230 1.00 0.00 H ATOM 1616 HB2 TYR A 117 8.559 34.247 48.263 1.00 0.00 H ATOM 1617 HD2 TYR A 117 7.921 34.466 50.510 1.00 0.00 H ATOM 1618 HE2 TYR A 117 7.793 35.819 52.580 1.00 0.00 H ATOM 1619 HE1 TYR A 117 10.562 38.638 50.906 1.00 0.00 H ATOM 1620 HD1 TYR A 117 10.691 37.281 48.839 1.00 0.00 H ATOM 1621 HH TYR A 117 8.167 38.366 53.146 1.00 0.00 H ATOM 1622 H TYR A 117 7.092 35.906 47.191 1.00 0.00 H ATOM 1623 N MET A 118 8.730 35.007 44.784 1.00 23.49 N ATOM 1624 CA MET A 118 9.007 34.289 43.551 1.00 24.60 C ATOM 1625 C MET A 118 9.953 35.182 42.752 1.00 24.63 C ATOM 1626 O MET A 118 9.858 36.413 42.820 1.00 25.08 O ATOM 1627 CB MET A 118 7.715 34.049 42.765 1.00 25.18 C ATOM 1628 CG MET A 118 6.746 33.107 43.447 1.00 26.58 C ATOM 1629 SD MET A 118 5.235 32.908 42.500 1.00 29.31 S ATOM 1630 CE MET A 118 5.795 31.833 41.196 1.00 27.22 C ATOM 1631 HA MET A 118 9.446 33.312 43.751 1.00 0.00 H ATOM 1632 HB2 MET A 118 7.218 35.008 42.621 1.00 0.00 H ATOM 1633 HB3 MET A 118 7.977 33.628 41.794 1.00 0.00 H ATOM 1634 HG2 MET A 118 6.497 33.507 44.430 1.00 0.00 H ATOM 1635 HG3 MET A 118 7.222 32.133 43.562 1.00 0.00 H ATOM 1636 HE1 MET A 118 6.596 32.323 40.642 1.00 0.00 H ATOM 1637 HE2 MET A 118 6.165 30.903 41.627 1.00 0.00 H ATOM 1638 HE3 MET A 118 4.965 31.618 40.523 1.00 0.00 H ATOM 1639 H MET A 118 7.835 35.526 44.891 1.00 0.00 H ATOM 1640 N LEU A 119 10.875 34.567 42.017 1.00 23.89 N ATOM 1641 CA LEU A 119 11.838 35.309 41.209 1.00 23.73 C ATOM 1642 C LEU A 119 12.652 36.244 42.109 1.00 23.13 C ATOM 1643 O LEU A 119 13.017 37.350 41.716 1.00 22.68 O ATOM 1644 CB LEU A 119 11.104 36.118 40.128 1.00 24.10 C ATOM 1645 CG LEU A 119 10.188 35.350 39.160 1.00 24.95 C ATOM 1646 CD1 LEU A 119 9.417 36.331 38.295 1.00 25.49 C ATOM 1647 CD2 LEU A 119 11.009 34.421 38.280 1.00 25.45 C ATOM 1648 HA LEU A 119 12.514 34.608 40.721 1.00 0.00 H ATOM 1649 HB2 LEU A 119 10.490 36.861 40.637 1.00 0.00 H ATOM 1650 HB3 LEU A 119 11.861 36.623 39.529 1.00 0.00 H ATOM 1651 HG LEU A 119 9.486 34.752 39.741 1.00 0.00 H ATOM 1652 HD21 LEU A 119 11.725 35.007 37.704 1.00 0.00 H ATOM 1653 HD22 LEU A 119 11.543 33.707 38.907 1.00 0.00 H ATOM 1654 HD23 LEU A 119 10.346 33.885 37.601 1.00 0.00 H ATOM 1655 HD11 LEU A 119 8.811 36.976 38.931 1.00 0.00 H ATOM 1656 HD12 LEU A 119 10.119 36.938 37.723 1.00 0.00 H ATOM 1657 HD13 LEU A 119 8.770 35.781 37.612 1.00 0.00 H ATOM 1658 H LEU A 119 10.911 33.528 42.018 1.00 0.00 H ATOM 1659 N TYR A 120 12.937 35.784 43.323 1.00 22.41 N ATOM 1660 CA TYR A 120 13.693 36.578 44.288 1.00 22.68 C ATOM 1661 C TYR A 120 15.151 36.720 43.858 1.00 22.96 C ATOM 1662 O TYR A 120 15.826 35.727 43.592 1.00 23.28 O ATOM 1663 CB TYR A 120 13.630 35.920 45.670 1.00 21.82 C ATOM 1664 CG TYR A 120 13.932 36.868 46.811 1.00 21.23 C ATOM 1665 CD1 TYR A 120 13.017 37.852 47.180 1.00 21.80 C ATOM 1666 CD2 TYR A 120 15.133 36.789 47.512 1.00 21.16 C ATOM 1667 CE1 TYR A 120 13.290 38.735 48.222 1.00 21.46 C ATOM 1668 CE2 TYR A 120 15.418 37.666 48.553 1.00 21.30 C ATOM 1669 CZ TYR A 120 14.493 38.636 48.903 1.00 21.48 C ATOM 1670 OH TYR A 120 14.769 39.507 49.931 1.00 21.64 O ATOM 1671 HA TYR A 120 13.246 37.571 44.333 1.00 0.00 H ATOM 1672 HB3 TYR A 120 14.355 35.107 45.697 1.00 0.00 H ATOM 1673 HB2 TYR A 120 12.628 35.517 45.814 1.00 0.00 H ATOM 1674 HD2 TYR A 120 15.862 36.026 47.240 1.00 0.00 H ATOM 1675 HE2 TYR A 120 16.363 37.591 49.090 1.00 0.00 H ATOM 1676 HE1 TYR A 120 12.563 39.498 48.500 1.00 0.00 H ATOM 1677 HD1 TYR A 120 12.071 37.932 46.644 1.00 0.00 H ATOM 1678 HH TYR A 120 14.008 40.130 50.048 1.00 0.00 H ATOM 1679 H TYR A 120 12.613 34.833 43.593 1.00 0.00 H ATOM 1680 N PRO A 121 15.653 37.965 43.782 1.00 23.27 N ATOM 1681 CA PRO A 121 17.034 38.266 43.383 1.00 23.65 C ATOM 1682 C PRO A 121 18.081 37.701 44.342 1.00 23.99 C ATOM 1683 O PRO A 121 18.086 38.032 45.526 1.00 23.69 O ATOM 1684 CB PRO A 121 17.066 39.795 43.360 1.00 23.25 C ATOM 1685 CG PRO A 121 15.634 40.180 43.118 1.00 24.02 C ATOM 1686 CD PRO A 121 14.887 39.207 43.985 1.00 23.41 C ATOM 1687 HA PRO A 121 17.287 37.807 42.427 1.00 0.00 H ATOM 1688 HD3 PRO A 121 14.902 39.515 45.030 1.00 0.00 H ATOM 1689 HD2 PRO A 121 13.854 39.094 43.655 1.00 0.00 H ATOM 1690 HG3 PRO A 121 15.365 40.060 42.068 1.00 0.00 H ATOM 1691 HG2 PRO A 121 15.445 41.208 43.425 1.00 0.00 H ATOM 1692 HB2 PRO A 121 17.419 40.191 44.312 1.00 0.00 H ATOM 1693 HB3 PRO A 121 17.707 40.158 42.557 1.00 0.00 H ATOM 1694 N ASP A 122 18.973 36.865 43.819 1.00 24.52 N ATOM 1695 CA ASP A 122 20.027 36.256 44.624 1.00 24.86 C ATOM 1696 C ASP A 122 20.870 37.280 45.389 1.00 24.52 C ATOM 1697 O ASP A 122 21.316 37.009 46.500 1.00 23.60 O ATOM 1698 CB ASP A 122 20.958 35.421 43.733 1.00 26.84 C ATOM 1699 CG ASP A 122 20.272 34.204 43.135 1.00 28.21 C ATOM 1700 OD1 ASP A 122 20.860 33.580 42.223 1.00 29.23 O ATOM 1701 OD2 ASP A 122 19.154 33.863 43.576 1.00 29.99 O ATOM 1702 HA ASP A 122 19.523 35.627 45.357 1.00 0.00 H ATOM 1703 HB2 ASP A 122 21.319 36.051 42.920 1.00 0.00 H ATOM 1704 HB3 ASP A 122 21.803 35.084 44.333 1.00 0.00 H ATOM 1705 H ASP A 122 18.918 36.638 42.806 1.00 0.00 H ATOM 1706 N PHE A 124 21.083 38.459 44.807 1.00 23.66 N ATOM 1707 CA PHE A 124 21.919 39.460 45.470 1.00 23.13 C ATOM 1708 C PHE A 124 21.402 39.959 46.819 1.00 23.16 C ATOM 1709 O PHE A 124 22.175 40.492 47.621 1.00 22.95 O ATOM 1710 CB PHE A 124 22.192 40.651 44.533 1.00 22.67 C ATOM 1711 CG PHE A 124 21.114 41.701 44.529 1.00 22.66 C ATOM 1712 CD1 PHE A 124 20.033 41.611 43.660 1.00 22.77 C ATOM 1713 CD2 PHE A 124 21.196 42.800 45.385 1.00 22.65 C ATOM 1714 CE1 PHE A 124 19.046 42.601 43.635 1.00 22.33 C ATOM 1715 CE2 PHE A 124 20.215 43.794 45.369 1.00 22.45 C ATOM 1716 CZ PHE A 124 19.140 43.696 44.493 1.00 22.59 C ATOM 1717 HA PHE A 124 22.846 38.934 45.697 1.00 0.00 H ATOM 1718 HB2 PHE A 124 23.125 41.122 44.843 1.00 0.00 H ATOM 1719 HB3 PHE A 124 22.299 40.269 43.518 1.00 0.00 H ATOM 1720 HD2 PHE A 124 22.036 42.884 46.075 1.00 0.00 H ATOM 1721 HE2 PHE A 124 20.292 44.647 46.043 1.00 0.00 H ATOM 1722 HZ PHE A 124 18.374 44.472 44.477 1.00 0.00 H ATOM 1723 HE1 PHE A 124 18.205 42.517 42.946 1.00 0.00 H ATOM 1724 HD1 PHE A 124 19.954 40.756 42.988 1.00 0.00 H ATOM 1725 H PHE A 124 20.655 38.668 43.882 1.00 0.00 H ATOM 1726 N LEU A 125 20.109 39.780 47.077 1.00 22.43 N ATOM 1727 CA LEU A 125 19.512 40.204 48.340 1.00 22.87 C ATOM 1728 C LEU A 125 19.786 39.172 49.430 1.00 23.51 C ATOM 1729 O LEU A 125 19.434 39.373 50.592 1.00 23.63 O ATOM 1730 CB LEU A 125 18.000 40.385 48.179 1.00 22.15 C ATOM 1731 CG LEU A 125 17.556 41.516 47.245 1.00 21.74 C ATOM 1732 CD1 LEU A 125 16.053 41.458 47.029 1.00 21.62 C ATOM 1733 CD2 LEU A 125 17.962 42.856 47.855 1.00 22.00 C ATOM 1734 HA LEU A 125 19.959 41.156 48.627 1.00 0.00 H ATOM 1735 HB2 LEU A 125 17.591 39.452 47.791 1.00 0.00 H ATOM 1736 HB3 LEU A 125 17.580 40.582 49.165 1.00 0.00 H ATOM 1737 HG LEU A 125 18.041 41.403 46.275 1.00 0.00 H ATOM 1738 HD21 LEU A 125 17.482 42.972 48.827 1.00 0.00 H ATOM 1739 HD22 LEU A 125 19.045 42.885 47.978 1.00 0.00 H ATOM 1740 HD23 LEU A 125 17.648 43.664 47.194 1.00 0.00 H ATOM 1741 HD11 LEU A 125 15.788 40.500 46.582 1.00 0.00 H ATOM 1742 HD12 LEU A 125 15.545 41.566 47.987 1.00 0.00 H ATOM 1743 HD13 LEU A 125 15.751 42.267 46.364 1.00 0.00 H ATOM 1744 H LEU A 125 19.508 39.326 46.360 1.00 0.00 H ATOM 1745 N CYS A 126 20.417 38.068 49.041 1.00 24.25 N ATOM 1746 CA CYS A 126 20.741 36.990 49.976 1.00 25.02 C ATOM 1747 C CYS A 126 22.245 36.880 50.190 1.00 26.70 C ATOM 1748 O CYS A 126 22.974 36.428 49.305 1.00 27.21 O ATOM 1749 CB CYS A 126 20.226 35.664 49.432 1.00 23.45 C ATOM 1750 SG CYS A 126 18.476 35.685 48.947 1.00 21.44 S ATOM 1751 HA CYS A 126 20.264 37.220 50.929 1.00 0.00 H ATOM 1752 HB2 CYS A 126 20.358 34.904 50.202 1.00 0.00 H ATOM 1753 HB3 CYS A 126 20.820 35.400 48.557 1.00 0.00 H ATOM 1754 H CYS A 126 20.688 37.968 48.042 1.00 0.00 H ATOM 1755 N LYS A 127 22.707 37.268 51.374 1.00 28.92 N ATOM 1756 CA LYS A 127 24.133 37.214 51.673 1.00 31.01 C ATOM 1757 C LYS A 127 24.411 36.708 53.083 1.00 31.87 C ATOM 1758 O LYS A 127 23.608 36.906 53.997 1.00 31.78 O ATOM 1759 CB LYS A 127 24.756 38.602 51.485 1.00 31.98 C ATOM 1760 CG LYS A 127 24.583 39.168 50.079 1.00 33.28 C ATOM 1761 CD LYS A 127 25.262 38.288 49.037 1.00 34.09 C ATOM 1762 CE LYS A 127 24.905 38.721 47.621 1.00 34.72 C ATOM 1763 NZ LYS A 127 25.240 40.150 47.366 1.00 34.33 N ATOM 1764 HA LYS A 127 24.585 36.505 50.979 1.00 0.00 H ATOM 1765 HB2 LYS A 127 24.289 39.288 52.192 1.00 0.00 H ATOM 1766 HB3 LYS A 127 25.822 38.532 51.699 1.00 0.00 H ATOM 1767 HG2 LYS A 127 23.519 39.232 49.851 1.00 0.00 H ATOM 1768 HG3 LYS A 127 25.022 40.165 50.041 1.00 0.00 H ATOM 1769 HD2 LYS A 127 26.342 38.355 49.166 1.00 0.00 H ATOM 1770 HD3 LYS A 127 24.943 37.256 49.183 1.00 0.00 H ATOM 1771 HE2 LYS A 127 23.835 38.579 47.470 1.00 0.00 H ATOM 1772 HE3 LYS A 127 25.456 38.100 46.915 1.00 0.00 H ATOM 1773 HZ1 LYS A 127 24.713 40.752 48.030 1.00 0.00 H ATOM 1774 HZ2 LYS A 127 26.261 40.295 47.500 1.00 0.00 H ATOM 1775 HZ3 LYS A 127 24.979 40.397 46.390 1.00 0.00 H ATOM 1776 H LYS A 127 22.043 37.614 52.096 1.00 0.00 H ATOM 1777 N GLY A 128 25.556 36.052 53.245 1.00 33.10 N ATOM 1778 CA GLY A 128 25.934 35.517 54.540 1.00 34.58 C ATOM 1779 C GLY A 128 25.665 34.028 54.630 1.00 35.62 C ATOM 1780 O GLY A 128 24.608 33.556 54.218 1.00 35.56 O ATOM 1781 HA3 GLY A 128 25.362 36.027 55.314 1.00 0.00 H ATOM 1782 HA2 GLY A 128 26.998 35.695 54.699 1.00 0.00 H ATOM 1783 H GLY A 128 26.190 35.920 52.431 1.00 0.00 H ATOM 1784 N GLU A 129 26.626 33.282 55.164 1.00 36.65 N ATOM 1785 CA GLU A 129 26.470 31.841 55.307 1.00 37.77 C ATOM 1786 C GLU A 129 25.707 31.533 56.591 1.00 37.87 C ATOM 1787 O GLU A 129 26.010 32.085 57.649 1.00 38.16 O ATOM 1788 CB GLU A 129 27.842 31.159 55.342 1.00 38.97 C ATOM 1789 CG GLU A 129 27.790 29.641 55.481 1.00 40.57 C ATOM 1790 CD GLU A 129 27.239 28.952 54.247 1.00 41.64 C ATOM 1791 OE1 GLU A 129 26.108 29.283 53.830 1.00 42.63 O ATOM 1792 OE2 GLU A 129 27.935 28.073 53.692 1.00 42.67 O ATOM 1793 HA GLU A 129 25.911 31.459 54.453 1.00 0.00 H ATOM 1794 HB2 GLU A 129 28.365 31.399 54.416 1.00 0.00 H ATOM 1795 HB3 GLU A 129 28.400 31.560 56.188 1.00 0.00 H ATOM 1796 HG2 GLU A 129 28.800 29.274 55.663 1.00 0.00 H ATOM 1797 HG3 GLU A 129 27.155 29.391 56.331 1.00 0.00 H ATOM 1798 H GLU A 129 27.505 33.735 55.486 1.00 0.00 H ATOM 1799 N LEU A 130 24.709 30.661 56.488 1.00 37.62 N ATOM 1800 CA LEU A 130 23.907 30.266 57.640 1.00 37.29 C ATOM 1801 C LEU A 130 24.129 28.784 57.907 1.00 37.13 C ATOM 1802 O LEU A 130 23.752 27.936 57.102 1.00 37.03 O ATOM 1803 CB LEU A 130 22.424 30.527 57.375 1.00 37.29 C ATOM 1804 CG LEU A 130 21.457 30.040 58.457 1.00 37.20 C ATOM 1805 CD1 LEU A 130 21.808 30.679 59.794 1.00 37.30 C ATOM 1806 CD2 LEU A 130 20.031 30.378 58.055 1.00 37.49 C ATOM 1807 HA LEU A 130 24.209 30.852 58.508 1.00 0.00 H ATOM 1808 HB2 LEU A 130 22.288 31.603 57.265 1.00 0.00 H ATOM 1809 HB3 LEU A 130 22.159 30.031 56.441 1.00 0.00 H ATOM 1810 HG LEU A 130 21.543 28.958 58.562 1.00 0.00 H ATOM 1811 HD21 LEU A 130 19.933 31.458 57.940 1.00 0.00 H ATOM 1812 HD22 LEU A 130 19.795 29.888 57.110 1.00 0.00 H ATOM 1813 HD23 LEU A 130 19.345 30.030 58.827 1.00 0.00 H ATOM 1814 HD11 LEU A 130 22.826 30.404 60.071 1.00 0.00 H ATOM 1815 HD12 LEU A 130 21.734 31.763 59.708 1.00 0.00 H ATOM 1816 HD13 LEU A 130 21.114 30.326 60.557 1.00 0.00 H ATOM 1817 H LEU A 130 24.494 30.248 55.558 1.00 0.00 H ATOM 1818 N LYS A 131 24.739 28.478 59.046 1.00 36.85 N ATOM 1819 CA LYS A 131 25.035 27.099 59.409 1.00 36.70 C ATOM 1820 C LYS A 131 23.815 26.209 59.620 1.00 35.67 C ATOM 1821 O LYS A 131 22.825 26.605 60.237 1.00 35.83 O ATOM 1822 CB LYS A 131 25.920 27.069 60.658 1.00 37.52 C ATOM 1823 CG LYS A 131 27.242 27.808 60.486 1.00 38.87 C ATOM 1824 CD LYS A 131 28.048 27.264 59.309 1.00 39.58 C ATOM 1825 CE LYS A 131 28.480 25.824 59.545 1.00 40.29 C ATOM 1826 NZ LYS A 131 29.326 25.702 60.767 1.00 40.72 N ATOM 1827 HA LYS A 131 25.555 26.679 58.548 1.00 0.00 H ATOM 1828 HB2 LYS A 131 25.372 27.529 61.480 1.00 0.00 H ATOM 1829 HB3 LYS A 131 26.135 26.029 60.903 1.00 0.00 H ATOM 1830 HG2 LYS A 131 27.036 28.865 60.314 1.00 0.00 H ATOM 1831 HG3 LYS A 131 27.830 27.697 61.397 1.00 0.00 H ATOM 1832 HD2 LYS A 131 27.434 27.307 58.409 1.00 0.00 H ATOM 1833 HD3 LYS A 131 28.935 27.882 59.172 1.00 0.00 H ATOM 1834 HE2 LYS A 131 29.050 25.479 58.683 1.00 0.00 H ATOM 1835 HE3 LYS A 131 27.593 25.202 59.664 1.00 0.00 H ATOM 1836 HZ1 LYS A 131 30.178 26.289 60.657 1.00 0.00 H ATOM 1837 HZ2 LYS A 131 28.786 26.025 61.595 1.00 0.00 H ATOM 1838 HZ3 LYS A 131 29.603 24.708 60.898 1.00 0.00 H ATOM 1839 H LYS A 131 25.012 29.243 59.696 1.00 0.00 H ATOM 1840 N CYS A 133 23.914 24.994 59.094 1.00 34.83 N ATOM 1841 CA CYS A 133 22.862 23.992 59.191 1.00 33.48 C ATOM 1842 C CYS A 133 22.691 23.480 60.619 1.00 34.12 C ATOM 1843 O CYS A 133 21.533 23.262 61.040 1.00 34.70 O ATOM 1844 CB CYS A 133 23.185 22.824 58.257 1.00 31.26 C ATOM 1845 SG CYS A 133 23.002 23.205 56.485 1.00 27.55 S ATOM 1846 HA CYS A 133 21.923 24.461 58.896 1.00 0.00 H ATOM 1847 OXT CYS A 133 23.720 23.286 61.296 1.00 34.90 O ATOM 1848 HB2 CYS A 133 22.516 21.998 58.499 1.00 0.00 H ATOM 1849 HB3 CYS A 133 24.216 22.519 58.436 1.00 0.00 H ATOM 1850 H CYS A 133 24.787 24.745 58.587 1.00 0.00 H TER 1851 CYS A 133 HETATM 1852 O HOH 1 16.778 14.197 43.731 1.00 23.73 O HETATM 1853 O HOH 2 18.403 29.785 45.666 1.00 31.54 O HETATM 1854 O HOH 3 6.872 19.510 39.094 1.00 25.86 O HETATM 1855 O HOH 4 19.847 33.415 39.707 1.00 27.56 O HETATM 1856 O HOH 5 9.157 16.130 37.477 1.00 37.26 O HETATM 1857 O HOH 6 -0.380 22.534 38.283 1.00 44.39 O HETATM 1858 O HOH 7 4.839 26.224 50.139 1.00 17.01 O HETATM 1859 O HOH 8 15.650 33.139 42.534 1.00 41.93 O HETATM 1860 O HOH 9 20.835 38.573 52.986 1.00 27.32 O HETATM 1861 O HOH 10 21.716 30.875 42.272 1.00 55.86 O HETATM 1862 O HOH 11 18.923 36.181 41.048 1.00 26.12 O HETATM 1863 O HOH 12 12.296 29.586 37.991 1.00 23.97 O HETATM 1864 O HOH 13 17.604 29.621 41.089 1.00 56.20 O HETATM 1865 O HOH 14 15.953 31.246 45.064 1.00 28.36 O HETATM 1866 O HOH 15 6.542 24.356 34.045 1.00 33.96 O HETATM 1867 O HOH 16 22.253 26.199 50.974 1.00 41.60 O HETATM 1868 O HOH 17 1.424 25.293 38.880 1.00 48.91 O HETATM 1869 O HOH 18 21.809 25.099 53.516 1.00 28.30 O HETATM 1870 O HOH 19 17.512 34.264 45.669 1.00 29.71 O HETATM 1871 O HOH 20 3.002 29.696 42.502 1.00 33.77 O HETATM 1872 O HOH 21 17.201 37.286 53.946 1.00 30.29 O HETATM 1873 O HOH 22 7.802 32.841 38.402 1.00 32.48 O HETATM 1874 O HOH 23 -0.399 12.286 52.250 1.00 38.79 O HETATM 1875 O HOH 24 16.681 38.891 52.012 1.00 32.16 O HETATM 1876 O HOH 25 -0.004 26.658 41.299 1.00 51.91 O HETATM 1877 O HOH 26 23.869 26.492 54.808 1.00 34.99 O HETATM 1878 O HOH 27 23.539 21.340 49.630 1.00 42.55 O HETATM 1879 O HOH 28 1.355 31.940 42.948 1.00 48.08 O HETATM 1880 O HOH 29 -0.323 14.324 49.932 1.00 36.31 O HETATM 1881 O HOH 30 4.271 8.748 41.761 1.00 43.98 O HETATM 1882 O HOH 31 -1.553 17.085 48.104 1.00 48.18 O HETATM 1883 O HOH 32 17.034 29.862 38.489 1.00 42.07 O HETATM 1884 O HOH 33 17.077 32.656 40.048 1.00 28.77 O HETATM 1885 O HOH 34 9.324 6.476 41.014 1.00 38.08 O HETATM 1886 O HOH 35 15.817 39.306 63.286 1.00 48.85 O HETATM 1887 O HOH 36 5.063 37.654 42.067 1.00 38.26 O HETATM 1888 O HOH 37 -2.921 2.407 50.259 1.00 44.52 O HETATM 1889 O HOH 38 10.006 8.723 55.577 1.00 24.41 O HETATM 1890 O HOH 39 20.082 12.551 35.823 1.00 33.91 O HETATM 1891 O HOH 40 6.828 37.715 40.169 1.00 35.85 O HETATM 1892 O HOH 41 2.828 38.326 47.919 1.00 34.68 O HETATM 1893 O HOH 42 -4.201 20.190 42.251 1.00 50.47 O HETATM 1894 O HOH 43 3.247 11.543 55.362 1.00 42.45 O HETATM 1895 O HOH 44 9.950 6.404 56.861 1.00 35.03 O HETATM 1896 O HOH 45 5.590 34.364 53.467 1.00 25.24 O HETATM 1897 O HOH 46 2.229 13.036 53.226 1.00 36.80 O HETATM 1898 O HOH 47 3.634 12.077 51.042 1.00 31.52 O HETATM 1899 O HOH 48 6.461 7.266 41.396 1.00 48.02 O HETATM 1900 O HOH 49 9.532 6.688 52.801 1.00 23.30 O HETATM 1901 O HOH 50 3.480 28.305 57.086 1.00 24.51 O HETATM 1902 O HOH 51 0.006 22.546 57.661 1.00 17.54 O HETATM 1903 O HOH 52 15.112 38.374 55.606 1.00 42.92 O HETATM 1904 O HOH 53 13.761 32.413 58.382 1.00 38.06 O HETATM 1905 O HOH 54 15.933 30.878 59.725 1.00 34.88 O HETATM 1906 O HOH 55 14.608 17.921 53.358 1.00 18.32 O HETATM 1907 O HOH 56 9.674 25.361 57.127 1.00 22.29 O HETATM 1908 O HOH 57 5.997 30.076 53.299 1.00 19.41 O HETATM 1909 O HOH 58 19.446 34.099 59.779 1.00 42.78 O HETATM 1910 O HOH 59 12.987 20.106 53.818 1.00 20.38 O HETATM 1911 O HOH 60 24.297 10.725 38.929 1.00 40.02 O HETATM 1912 O HOH 61 24.607 24.556 50.318 1.00 46.88 O HETATM 1913 O HOH 62 14.150 17.629 57.806 1.00 31.79 O HETATM 1914 O HOH 63 9.549 17.791 56.442 1.00 26.84 O HETATM 1915 O HOH 64 11.829 20.186 56.305 1.00 32.50 O HETATM 1916 O HOH 65 30.139 16.226 54.234 1.00 46.87 O HETATM 1917 O HOH 66 5.543 8.888 55.896 1.00 45.43 O HETATM 1918 O HOH 67 11.814 23.582 57.310 1.00 26.66 O HETATM 1919 O HOH 68 25.200 5.243 44.514 1.00 46.97 O HETATM 1920 O HOH 69 24.333 10.277 54.856 1.00 31.13 O HETATM 1921 O HOH 70 32.531 14.794 54.758 1.00 33.67 O HETATM 1922 O HOH 71 13.099 24.769 59.423 1.00 33.10 O HETATM 1923 O HOH 72 24.977 6.844 55.721 1.00 42.95 O HETATM 1924 O HOH 73 27.918 14.966 56.597 1.00 33.15 O HETATM 1925 O HOH 74 24.786 4.187 47.460 1.00 34.81 O HETATM 1926 O HOH 75 4.631 7.040 53.860 1.00 32.80 O HETATM 1927 O HOH 76 14.699 13.705 56.375 1.00 27.67 O HETATM 1928 O HOH 77 9.206 -1.771 45.817 1.00 47.92 O HETATM 1929 O HOH 78 29.131 17.900 52.277 1.00 36.61 O HETATM 1930 O HOH 79 15.281 16.563 55.585 1.00 27.11 O HETATM 1931 O HOH 80 7.427 3.244 41.893 1.00 47.36 O HETATM 1932 O HOH 81 2.497 5.220 53.353 1.00 34.71 O HETATM 1933 O HOH 82 14.715 4.929 46.761 1.00 32.63 O HETATM 1934 O HOH 83 7.691 23.428 58.274 1.00 31.23 O HETATM 1935 O HOH 84 25.951 16.960 48.579 1.00 57.00 O HETATM 1936 O HOH 85 15.844 42.722 51.286 1.00 26.43 O HETATM 1937 O HOH 86 15.687 41.439 55.880 1.00 43.84 O HETATM 1938 O HOH 87 25.060 30.920 46.636 1.00 53.17 O HETATM 1939 O HOH 88 4.876 39.862 43.992 1.00 31.38 O HETATM 1940 O HOH 89 6.128 31.692 56.763 1.00 26.02 O HETATM 1941 O HOH 90 -0.421 29.996 46.253 1.00 45.40 O HETATM 1942 O HOH 91 13.739 41.933 49.879 1.00 39.43 O HETATM 1943 O HOH 92 23.089 44.881 48.591 1.00 32.64 O HETATM 1944 O HOH 93 21.133 7.042 41.251 1.00 46.99 O HETATM 1945 O HOH 94 27.838 35.829 50.799 1.00 47.35 O HETATM 1946 O HOH 95 12.299 12.082 54.913 1.00 21.23 O HETATM 1947 O HOH 96 14.755 41.747 53.449 1.00 62.96 O HETATM 1948 O HOH 97 2.620 39.808 45.476 1.00 33.11 O HETATM 1949 O HOH 98 23.649 29.304 54.098 1.00 30.23 O HETATM 1950 O HOH 99 11.821 4.187 57.522 1.00 49.76 O HETATM 1951 O HOH 100 17.490 6.167 54.016 1.00 27.75 O HETATM 1952 O HOH 101 18.256 41.501 51.954 1.00 35.07 O HETATM 1953 O HOH 102 10.721 38.715 44.321 1.00 38.39 O HETATM 1954 O HOH 103 22.272 7.416 43.557 1.00 36.44 O HETATM 1955 O HOH 104 -1.171 33.485 55.882 1.00 41.45 O HETATM 1956 O HOH 105 16.862 28.186 58.735 1.00 41.67 O HETATM 1957 O HOH 106 19.598 4.589 53.110 1.00 36.78 O HETATM 1958 O HOH 107 7.053 37.304 54.795 1.00 48.79 O HETATM 1959 O HOH 108 8.104 5.256 54.667 1.00 41.12 O HETATM 1960 O HOH 109 -0.725 20.382 53.424 1.00 29.65 O HETATM 1961 O HOH 110 0.355 32.830 47.589 1.00 43.23 O HETATM 1962 O HOH 111 25.561 27.391 51.989 1.00 46.87 O HETATM 1963 O HOH 112 1.665 1.707 45.811 1.00 45.53 O HETATM 1964 O HOH 113 26.959 14.559 61.353 1.00 34.88 O HETATM 1965 O HOH 114 -0.887 4.213 45.394 1.00 45.53 O HETATM 1966 O HOH 115 24.285 22.691 53.129 1.00 44.44 O HETATM 1967 O HOH 116 7.258 9.435 58.825 1.00 35.85 O HETATM 1968 O HOH 117 1.865 34.765 54.384 1.00 43.45 O HETATM 1969 O HOH 118 -1.556 24.932 44.661 1.00 44.83 O HETATM 1970 O HOH 119 26.569 16.557 59.680 1.00 44.49 O HETATM 1971 O HOH 120 -2.725 26.721 48.134 1.00 43.53 O HETATM 1972 O HOH 121 5.397 34.180 56.249 1.00 33.48 O HETATM 1973 O HOH 122 -1.005 28.880 48.515 1.00 43.68 O HETATM 1974 O HOH 123 -1.159 20.485 56.154 1.00 24.55 O HETATM 1975 O HOH 124 9.223 20.973 58.301 1.00 36.23 O HETATM 1976 O HOH 125 25.822 30.495 61.011 1.00 37.44 O HETATM 1977 O HOH 126 2.480 4.538 43.488 1.00 38.51 O HETATM 1978 O HOH 127 7.587 18.542 58.017 1.00 32.36 O HETATM 1979 O HOH 128 15.142 3.746 44.395 1.00 37.70 O HETATM 1980 O HOH 129 3.657 14.898 39.702 1.00 36.43 O HETATM 1981 O HOH 130 11.414 37.722 55.632 1.00 35.62 O HETATM 1982 O HOH 131 8.267 35.700 56.951 1.00 38.22 O HETATM 1983 O HOH 132 24.439 33.122 61.073 1.00 47.22 O HETATM 1984 O HOH 133 -0.440 20.130 36.459 1.00 45.73 O HETATM 1985 O HOH 134 19.327 39.203 56.796 1.00 49.38 O HETATM 1986 O HOH 135 13.345 36.253 57.013 1.00 44.37 O HETATM 1987 O HOH 136 11.327 37.768 60.239 1.00 42.73 O HETATM 1988 O HOH 137 8.982 10.502 57.075 1.00 55.02 O HETATM 1989 O HOH 138 -2.900 18.430 46.310 1.00 49.35 O HETATM 1990 O HOH 139 28.376 31.231 59.291 1.00 58.26 O HETATM 1991 O HOH 140 20.457 1.668 41.263 1.00 50.37 O HETATM 1992 O HOH 141 10.895 -1.386 47.873 1.00 53.20 O HETATM 1993 O HOH 142 18.164 28.527 60.972 1.00 56.68 O HETATM 1994 O HOH 143 1.782 6.925 42.830 1.00 46.02 O HETATM 1995 O HOH 144 9.429 39.026 41.332 1.00 52.23 O HETATM 1996 O HOH 145 7.511 38.226 42.814 1.00 39.65 O HETATM 1997 O HOH 146 22.415 42.329 49.730 1.00 40.18 O HETATM 1998 O HOH 147 25.235 19.961 58.175 1.00 37.36 O HETATM 1999 O HOH 148 11.705 39.880 40.585 1.00 39.05 O HETATM 2000 O HOH 149 -0.714 7.589 55.457 1.00 50.06 O HETATM 2001 O HOH 150 24.728 19.179 47.746 1.00 44.59 O HETATM 2002 O HOH 151 -3.580 17.976 43.858 1.00 39.48 O HETATM 2003 O HOH 152 28.719 35.699 56.865 1.00 53.15 O HETATM 2004 O HOH 153 1.190 39.144 42.957 1.00 42.78 O HETATM 2005 O HOH 154 27.152 15.240 47.048 1.00 38.74 O HETATM 2006 O HOH 155 9.832 40.209 48.066 1.00 45.27 O HETATM 2007 O HOH 156 9.814 31.275 39.079 1.00 49.31 O HETATM 2008 O HOH 157 24.047 0.444 48.385 1.00 43.17 O HETATM 2009 O HOH 158 25.297 4.304 53.784 1.00 51.14 O HETATM 2010 O HOH 159 20.618 0.601 51.372 1.00 58.69 O HETATM 2011 O HOH 160 19.949 32.929 46.812 1.00 37.15 O HETATM 2012 O HOH 161 -7.012 2.515 57.751 1.00 53.67 O HETATM 2013 O HOH 162 19.185 25.716 47.167 1.00 25.73 O HETATM 2014 O HOH 163 13.046 38.943 62.726 1.00 54.04 O HETATM 2015 O HOH 164 14.271 3.592 50.861 1.00 49.82 O HETATM 2016 O HOH 165 0.369 17.198 35.826 1.00 56.96 O HETATM 2017 O HOH 166 22.053 41.274 52.187 1.00 55.63 O HETATM 2018 O HOH 167 -5.902 30.794 56.003 1.00 45.29 O HETATM 2019 O HOH 168 26.998 7.916 44.678 1.00 44.42 O HETATM 2020 O HOH 169 6.670 6.297 57.236 1.00 52.52 O HETATM 2021 O HOH 170 12.559 20.484 40.224 1.00 48.91 O HETATM 2022 C1 UNN A 171 15.511 22.908 40.433 1.00 0.09 C HETATM 2023 C16 UNN A 171 16.329 23.026 39.140 1.00 0.10 C HETATM 2024 O5 UNN A 171 15.892 23.495 38.095 1.00 -0.55 O HETATM 2025 O4 UNN A 171 17.248 22.282 38.800 1.00 -0.55 O HETATM 2026 C6 UNN A 171 16.031 22.954 41.809 1.00 0.12 C HETATM 2027 C5 UNN A 171 15.056 22.966 42.956 1.00 0.10 C HETATM 2028 C4 UNN A 171 13.619 22.940 42.606 1.00 0.23 C HETATM 2029 C3 UNN A 171 13.201 22.902 41.254 1.00 0.24 C HETATM 2030 C2 UNN A 171 14.118 22.887 40.210 1.00 0.06 C HETATM 2031 H1 UNN A 171 13.751 22.858 39.191 1.00 0.08 H HETATM 2032 O2 UNN A 171 11.851 22.878 41.117 1.00 -0.21 O HETATM 2033 C15 UNN A 171 11.376 22.904 42.475 1.00 0.23 C HETATM 2034 O3 UNN A 171 12.494 22.942 43.385 1.00 -0.24 O HETATM 2035 H5 UNN A 171 10.752 23.797 42.626 1.00 0.11 H HETATM 2036 H6 UNN A 171 10.778 22.002 42.669 1.00 0.11 H HETATM 2037 C7 UNN A 171 15.557 22.999 44.325 1.00 0.04 C HETATM 2038 C8 UNN A 171 17.021 23.005 44.550 1.00 0.13 C HETATM 2039 C9 UNN A 171 17.896 22.994 43.440 1.00 0.09 C HETATM 2040 C10 UNN A 171 17.445 22.984 42.102 1.00 0.20 C HETATM 2041 N1 UNN A 171 18.703 23.390 41.099 1.00 -0.16 N HETATM 2042 O7 UNN A 171 18.717 23.989 40.216 1.00 -0.47 O HETATM 2043 O8 UNN A 171 19.599 23.192 41.923 1.00 -0.47 O HETATM 2044 H2 UNN A 171 18.964 22.993 43.625 1.00 0.15 H HETATM 2045 C14 UNN A 171 17.562 23.020 45.885 1.00 0.24 C HETATM 2046 C13 UNN A 171 16.632 23.037 46.995 1.00 0.20 C HETATM 2047 C12 UNN A 171 15.250 23.037 46.790 1.00 0.02 C HETATM 2048 C11 UNN A 171 14.720 23.016 45.498 1.00 -0.02 C HETATM 2049 H3 UNN A 171 13.643 23.012 45.373 1.00 0.09 H HETATM 2050 H4 UNN A 171 14.582 23.053 47.643 1.00 0.08 H HETATM 2051 O6 UNN A 171 17.097 23.053 48.335 1.00 -0.31 O HETATM 2052 H10 UNN A 171 18.047 23.051 48.339 1.00 0.25 H HETATM 2053 O1 UNN A 171 18.863 22.586 46.021 1.00 -0.25 O HETATM 2054 C17 UNN A 171 20.190 21.914 46.048 1.00 0.09 C HETATM 2055 H7 UNN A 171 20.919 22.561 46.558 1.00 0.06 H HETATM 2056 H8 UNN A 171 20.526 21.724 45.018 1.00 0.06 H HETATM 2057 H9 UNN A 171 20.107 20.959 46.588 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 2022 2023 2026 2030 CONECT 2023 2022 2024 2025 CONECT 2024 2023 CONECT 2025 2023 CONECT 2026 2022 2027 2040 CONECT 2027 2026 2028 2037 CONECT 2028 2027 2029 2034 CONECT 2029 2028 2030 2032 CONECT 2030 2022 2029 2031 CONECT 2031 2030 CONECT 2032 2029 2033 CONECT 2033 2032 2034 2035 2036 CONECT 2034 2028 2033 CONECT 2035 2033 CONECT 2036 2033 CONECT 2037 2027 2038 2048 CONECT 2038 2037 2039 2045 CONECT 2039 2038 2040 2044 CONECT 2040 2026 2039 2041 CONECT 2041 2040 2042 2043 CONECT 2042 2041 CONECT 2043 2041 CONECT 2044 2039 CONECT 2045 2038 2046 2053 CONECT 2046 2045 2047 2051 CONECT 2047 2046 2048 2050 CONECT 2048 2037 2047 2049 CONECT 2049 2048 CONECT 2050 2047 CONECT 2051 2046 2052 CONECT 2052 2051 CONECT 2053 2045 2054 CONECT 2054 2053 2055 2056 2057 CONECT 2055 2054 CONECT 2056 2054 CONECT 2057 2054 MASTER 0 0 0 0 0 0 0 0 2056 1 54 10 END
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Structure:
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Related entries of code: 1fv0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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121aa, >2ARM_1|Chain... at 100%
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121aa, >2B17_1|Chain... at 100%
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PDBbind
121aa, >3H1X_1|Chain... at 100%
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121aa, >4QEM_1|Chain... at 100%
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PDBbind
121aa, >4QER_1|Chain... at 100%
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PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
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PDBbind
121aa, >4QF8_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1fv0
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
phospholipase a2
Ligand Name
9AR
EC.Number
E.C.3.1.1.4
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=1.18uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v41 pp. 10914-9, 2002
Ligand Properties
Formula
C
1
7
H
1
1
NO
8
Molecular Weight
357.271
Exact Mass
357.048
No. of atoms
37
No. of bonds
40
Polar Surface Area
131.04
LOGP Value
4.29 (
Computed with XLOGP3
)
3.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
COc1c(O)ccc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O
InChI String
InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)
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):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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