Browse entries in the PDBbind-CN Database
HEADER 4IPF_COMPLEX COMPND 4IPF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 GLU LYS LEU VAL GLN PRO THR PRO LEU LEU LEU SER LEU SEQRES 2 A 85 LEU LYS SER ALA GLY ALA GLN LYS GLU THR PHE THR MET SEQRES 3 A 85 LYS GLU VAL LEU TYR HIS LEU GLY GLN TYR ILE MET ALA SEQRES 4 A 85 LYS GLN LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL HIS SEQRES 5 A 85 CYS SER ASN ASP PRO LEU GLY GLU LEU PHE GLY VAL GLN SEQRES 6 A 85 GLU PHE SER VAL LYS GLU HIS ARG ARG ILE TYR ALA MET SEQRES 7 A 85 ILE SER ARG ASN LEU VAL SER HET UNN A 223 98 ATOM 1 N GLU A 21 -5.768 11.720 26.010 1.00 22.65 N ATOM 2 CA GLU A 21 -4.374 12.252 26.028 1.00 21.57 C ATOM 3 C GLU A 21 -3.855 12.421 24.607 1.00 20.96 C ATOM 4 O GLU A 21 -4.249 11.684 23.703 1.00 19.56 O ATOM 5 CB GLU A 21 -3.454 11.298 26.786 1.00 24.77 C ATOM 6 CG GLU A 21 -3.892 11.000 28.208 1.00 27.97 C ATOM 7 CD GLU A 21 -2.961 10.029 28.898 1.00 29.99 C ATOM 8 OE1 GLU A 21 -1.772 10.369 29.067 1.00 31.51 O ATOM 9 OE2 GLU A 21 -3.415 8.924 29.266 1.00 31.69 O ATOM 10 HA GLU A 21 -4.384 13.221 26.528 1.00 0.00 H ATOM 11 HB2 GLU A 21 -3.412 10.357 26.238 1.00 0.00 H ATOM 12 HB3 GLU A 21 -2.459 11.741 26.822 1.00 0.00 H ATOM 13 HG2 GLU A 21 -3.910 11.932 28.773 1.00 0.00 H ATOM 14 HG3 GLU A 21 -4.894 10.571 28.185 1.00 0.00 H ATOM 15 HN3 GLU A 21 -5.779 10.797 25.532 1.00 0.00 H ATOM 16 HN2 GLU A 21 -6.385 12.384 25.499 1.00 0.00 H ATOM 17 HN1 GLU A 21 -6.108 11.610 26.987 1.00 0.00 H ATOM 18 N LYS A 22 -2.964 13.386 24.414 1.00 19.15 N ATOM 19 CA LYS A 22 -2.406 13.625 23.093 1.00 17.96 C ATOM 20 C LYS A 22 -1.269 12.662 22.788 1.00 17.79 C ATOM 21 O LYS A 22 -0.363 12.461 23.602 1.00 17.49 O ATOM 22 CB LYS A 22 -1.902 15.065 22.973 1.00 18.46 C ATOM 23 CG LYS A 22 -1.344 15.387 21.593 1.00 20.37 C ATOM 24 CD LYS A 22 -0.986 16.854 21.449 1.00 23.12 C ATOM 25 CE LYS A 22 -0.449 17.137 20.053 1.00 24.62 C ATOM 26 NZ LYS A 22 -1.443 16.777 18.997 1.00 27.18 N ATOM 27 HA LYS A 22 -3.203 13.460 22.368 1.00 0.00 H ATOM 28 HB2 LYS A 22 -2.731 15.742 23.179 1.00 0.00 H ATOM 29 HB3 LYS A 22 -1.115 15.221 23.711 1.00 0.00 H ATOM 30 HG2 LYS A 22 -0.448 14.789 21.428 1.00 0.00 H ATOM 31 HG3 LYS A 22 -2.093 15.133 20.843 1.00 0.00 H ATOM 32 HD2 LYS A 22 -1.876 17.459 21.621 1.00 0.00 H ATOM 33 HD3 LYS A 22 -0.225 17.112 22.186 1.00 0.00 H ATOM 34 HE2 LYS A 22 0.459 16.554 19.898 1.00 0.00 H ATOM 35 HE3 LYS A 22 -0.216 18.199 19.972 1.00 0.00 H ATOM 36 HZ1 LYS A 22 -1.666 15.763 19.064 1.00 0.00 H ATOM 37 HZ2 LYS A 22 -2.310 17.334 19.135 1.00 0.00 H ATOM 38 HZ3 LYS A 22 -1.042 16.984 18.060 1.00 0.00 H ATOM 39 H LYS A 22 -2.662 13.976 25.215 1.00 0.00 H ATOM 40 N LEU A 23 -1.326 12.053 21.610 1.00 15.58 N ATOM 41 CA LEU A 23 -0.290 11.123 21.190 1.00 13.16 C ATOM 42 C LEU A 23 0.710 11.897 20.341 1.00 14.22 C ATOM 43 O LEU A 23 0.359 12.445 19.297 1.00 17.47 O ATOM 44 CB LEU A 23 -0.902 9.973 20.386 1.00 14.34 C ATOM 45 CG LEU A 23 -1.813 9.034 21.181 1.00 14.15 C ATOM 46 CD1 LEU A 23 -2.516 8.070 20.236 1.00 16.99 C ATOM 47 CD2 LEU A 23 -0.989 8.273 22.210 1.00 16.18 C ATOM 48 HA LEU A 23 0.208 10.690 22.057 1.00 0.00 H ATOM 49 HB2 LEU A 23 -1.488 10.403 19.574 1.00 0.00 H ATOM 50 HB3 LEU A 23 -0.087 9.381 19.970 1.00 0.00 H ATOM 51 HG LEU A 23 -2.571 9.618 21.703 1.00 0.00 H ATOM 52 HD21 LEU A 23 -0.223 7.689 21.700 1.00 0.00 H ATOM 53 HD22 LEU A 23 -0.516 8.981 22.890 1.00 0.00 H ATOM 54 HD23 LEU A 23 -1.641 7.606 22.774 1.00 0.00 H ATOM 55 HD11 LEU A 23 -3.116 8.635 19.523 1.00 0.00 H ATOM 56 HD12 LEU A 23 -1.772 7.481 19.700 1.00 0.00 H ATOM 57 HD13 LEU A 23 -3.162 7.406 20.811 1.00 0.00 H ATOM 58 H LEU A 23 -2.127 12.245 20.975 1.00 0.00 H ATOM 59 N VAL A 24 1.953 11.956 20.806 1.00 12.31 N ATOM 60 CA VAL A 24 3.000 12.674 20.093 1.00 11.51 C ATOM 61 C VAL A 24 3.814 11.733 19.215 1.00 12.14 C ATOM 62 O VAL A 24 3.788 10.515 19.399 1.00 11.47 O ATOM 63 CB VAL A 24 3.925 13.425 21.069 1.00 10.78 C ATOM 64 CG1 VAL A 24 3.116 14.464 21.843 1.00 12.71 C ATOM 65 CG2 VAL A 24 4.583 12.455 22.022 1.00 11.65 C ATOM 66 HA VAL A 24 2.511 13.406 19.451 1.00 0.00 H ATOM 67 HB VAL A 24 4.707 13.931 20.502 1.00 0.00 H ATOM 68 HG11 VAL A 24 2.674 15.173 21.143 1.00 0.00 H ATOM 69 HG12 VAL A 24 2.326 13.964 22.403 1.00 0.00 H ATOM 70 HG13 VAL A 24 3.773 14.994 22.533 1.00 0.00 H ATOM 71 HG21 VAL A 24 3.816 11.930 22.591 1.00 0.00 H ATOM 72 HG22 VAL A 24 5.173 11.735 21.455 1.00 0.00 H ATOM 73 HG23 VAL A 24 5.233 13.003 22.704 1.00 0.00 H ATOM 74 H VAL A 24 2.184 11.478 21.700 1.00 0.00 H ATOM 75 N GLN A 25 4.540 12.317 18.267 1.00 10.68 N ATOM 76 CA GLN A 25 5.324 11.565 17.292 1.00 10.10 C ATOM 77 C GLN A 25 6.804 11.944 17.275 1.00 9.30 C ATOM 78 O GLN A 25 7.202 12.913 16.630 1.00 9.49 O ATOM 79 CB GLN A 25 4.705 11.808 15.911 1.00 11.41 C ATOM 80 CG GLN A 25 5.368 11.123 14.734 1.00 11.31 C ATOM 81 CD GLN A 25 4.699 11.502 13.425 1.00 12.67 C ATOM 82 OE1 GLN A 25 3.772 12.316 13.406 1.00 12.68 O ATOM 83 NE2 GLN A 25 5.162 10.916 12.327 1.00 12.85 N ATOM 84 HA GLN A 25 5.292 10.512 17.571 1.00 0.00 H ATOM 85 HB2 GLN A 25 3.670 11.469 15.949 1.00 0.00 H ATOM 86 HB3 GLN A 25 4.728 12.882 15.724 1.00 0.00 H ATOM 87 HG2 GLN A 25 6.416 11.419 14.696 1.00 0.00 H ATOM 88 HG3 GLN A 25 5.301 10.043 14.868 1.00 0.00 H ATOM 89 HE22 GLN A 25 5.946 10.236 12.392 1.00 0.00 H ATOM 90 HE21 GLN A 25 4.741 11.137 11.402 1.00 0.00 H ATOM 91 H GLN A 25 4.550 13.356 18.218 1.00 0.00 H ATOM 92 N PRO A 26 7.642 11.174 17.983 1.00 8.49 N ATOM 93 CA PRO A 26 9.085 11.435 18.041 1.00 8.88 C ATOM 94 C PRO A 26 9.754 11.419 16.662 1.00 9.98 C ATOM 95 O PRO A 26 9.446 10.570 15.822 1.00 10.89 O ATOM 96 CB PRO A 26 9.608 10.301 18.921 1.00 9.10 C ATOM 97 CG PRO A 26 8.442 10.015 19.839 1.00 8.29 C ATOM 98 CD PRO A 26 7.259 10.079 18.891 1.00 9.33 C ATOM 99 HA PRO A 26 9.304 12.430 18.429 1.00 0.00 H ATOM 100 HD3 PRO A 26 7.136 9.141 18.349 1.00 0.00 H ATOM 101 HD2 PRO A 26 6.338 10.312 19.424 1.00 0.00 H ATOM 102 HG3 PRO A 26 8.362 10.769 20.622 1.00 0.00 H ATOM 103 HG2 PRO A 26 8.530 9.028 20.294 1.00 0.00 H ATOM 104 HB2 PRO A 26 9.860 9.425 18.323 1.00 0.00 H ATOM 105 HB3 PRO A 26 10.484 10.617 19.487 1.00 0.00 H ATOM 106 N THR A 27 10.669 12.356 16.441 1.00 10.58 N ATOM 107 CA THR A 27 11.399 12.417 15.182 1.00 11.17 C ATOM 108 C THR A 27 12.404 11.257 15.153 1.00 12.34 C ATOM 109 O THR A 27 12.613 10.584 16.165 1.00 12.02 O ATOM 110 CB THR A 27 12.095 13.787 15.018 1.00 12.31 C ATOM 111 OG1 THR A 27 12.748 14.157 16.237 1.00 11.83 O ATOM 112 CG2 THR A 27 11.067 14.855 14.668 1.00 12.56 C ATOM 113 HA THR A 27 10.712 12.316 14.341 1.00 0.00 H ATOM 114 HB THR A 27 12.831 13.707 14.218 1.00 0.00 H ATOM 115 HG1 THR A 27 13.190 15.035 16.120 1.00 0.00 H ATOM 116 HG23 THR A 27 10.563 14.583 13.740 1.00 0.00 H ATOM 117 HG21 THR A 27 10.335 14.930 15.472 1.00 0.00 H ATOM 118 HG22 THR A 27 11.570 15.814 14.542 1.00 0.00 H ATOM 119 H THR A 27 10.868 13.059 17.181 1.00 0.00 H ATOM 120 N PRO A 28 13.036 11.004 13.996 1.00 12.45 N ATOM 121 CA PRO A 28 14.006 9.916 13.822 1.00 13.31 C ATOM 122 C PRO A 28 14.966 9.542 14.952 1.00 12.40 C ATOM 123 O PRO A 28 14.900 8.422 15.464 1.00 13.82 O ATOM 124 CB PRO A 28 14.730 10.316 12.543 1.00 13.28 C ATOM 125 CG PRO A 28 13.608 10.885 11.736 1.00 12.59 C ATOM 126 CD PRO A 28 12.914 11.782 12.748 1.00 12.48 C ATOM 127 HA PRO A 28 13.457 8.974 13.800 1.00 0.00 H ATOM 128 HD3 PRO A 28 13.417 12.745 12.832 1.00 0.00 H ATOM 129 HD2 PRO A 28 11.869 11.942 12.483 1.00 0.00 H ATOM 130 HG3 PRO A 28 12.941 10.101 11.377 1.00 0.00 H ATOM 131 HG2 PRO A 28 13.981 11.459 10.888 1.00 0.00 H ATOM 132 HB2 PRO A 28 15.501 11.062 12.737 1.00 0.00 H ATOM 133 HB3 PRO A 28 15.178 9.453 12.051 1.00 0.00 H ATOM 134 N LEU A 29 15.853 10.450 15.346 1.00 12.24 N ATOM 135 CA LEU A 29 16.808 10.124 16.399 1.00 11.39 C ATOM 136 C LEU A 29 16.139 9.740 17.715 1.00 11.03 C ATOM 137 O LEU A 29 16.432 8.686 18.275 1.00 11.26 O ATOM 138 CB LEU A 29 17.780 11.282 16.638 1.00 13.42 C ATOM 139 CG LEU A 29 18.861 11.022 17.696 1.00 14.03 C ATOM 140 CD1 LEU A 29 19.536 9.676 17.450 1.00 14.34 C ATOM 141 CD2 LEU A 29 19.883 12.147 17.662 1.00 14.98 C ATOM 142 HA LEU A 29 17.357 9.252 16.044 1.00 0.00 H ATOM 143 HB2 LEU A 29 18.278 11.504 15.694 1.00 0.00 H ATOM 144 HB3 LEU A 29 17.200 12.149 16.954 1.00 0.00 H ATOM 145 HG LEU A 29 18.398 10.991 18.682 1.00 0.00 H ATOM 146 HD21 LEU A 29 20.342 12.189 16.674 1.00 0.00 H ATOM 147 HD22 LEU A 29 19.386 13.094 17.874 1.00 0.00 H ATOM 148 HD23 LEU A 29 20.650 11.962 18.414 1.00 0.00 H ATOM 149 HD11 LEU A 29 18.791 8.882 17.502 1.00 0.00 H ATOM 150 HD12 LEU A 29 19.999 9.678 16.463 1.00 0.00 H ATOM 151 HD13 LEU A 29 20.299 9.509 18.210 1.00 0.00 H ATOM 152 H LEU A 29 15.866 11.391 14.904 1.00 0.00 H ATOM 153 N LEU A 30 15.242 10.586 18.208 1.00 10.25 N ATOM 154 CA LEU A 30 14.566 10.291 19.467 1.00 10.39 C ATOM 155 C LEU A 30 13.848 8.947 19.407 1.00 12.46 C ATOM 156 O LEU A 30 13.960 8.135 20.326 1.00 12.27 O ATOM 157 CB LEU A 30 13.567 11.398 19.816 1.00 11.25 C ATOM 158 CG LEU A 30 12.768 11.174 21.104 1.00 12.50 C ATOM 159 CD1 LEU A 30 13.725 10.953 22.269 1.00 12.10 C ATOM 160 CD2 LEU A 30 11.863 12.369 21.369 1.00 12.95 C ATOM 161 HA LEU A 30 15.328 10.241 20.245 1.00 0.00 H ATOM 162 HB2 LEU A 30 14.120 12.331 19.920 1.00 0.00 H ATOM 163 HB3 LEU A 30 12.860 11.487 18.991 1.00 0.00 H ATOM 164 HG LEU A 30 12.143 10.288 20.994 1.00 0.00 H ATOM 165 HD21 LEU A 30 12.471 13.267 21.475 1.00 0.00 H ATOM 166 HD22 LEU A 30 11.173 12.492 20.535 1.00 0.00 H ATOM 167 HD23 LEU A 30 11.299 12.200 22.287 1.00 0.00 H ATOM 168 HD11 LEU A 30 14.343 10.078 22.069 1.00 0.00 H ATOM 169 HD12 LEU A 30 14.362 11.830 22.386 1.00 0.00 H ATOM 170 HD13 LEU A 30 13.152 10.794 23.183 1.00 0.00 H ATOM 171 H LEU A 30 15.020 11.463 17.694 1.00 0.00 H ATOM 172 N LEU A 31 13.119 8.706 18.322 1.00 10.70 N ATOM 173 CA LEU A 31 12.388 7.449 18.177 1.00 13.36 C ATOM 174 C LEU A 31 13.324 6.251 18.251 1.00 13.05 C ATOM 175 O LEU A 31 13.005 5.240 18.878 1.00 13.24 O ATOM 176 CB LEU A 31 11.635 7.419 16.849 1.00 12.56 C ATOM 177 CG LEU A 31 10.755 6.183 16.662 1.00 12.86 C ATOM 178 CD1 LEU A 31 9.682 6.158 17.742 1.00 13.58 C ATOM 179 CD2 LEU A 31 10.128 6.203 15.275 1.00 14.80 C ATOM 180 HA LEU A 31 11.678 7.388 19.001 1.00 0.00 H ATOM 181 HB2 LEU A 31 11.000 8.304 16.794 1.00 0.00 H ATOM 182 HB3 LEU A 31 12.365 7.446 16.040 1.00 0.00 H ATOM 183 HG LEU A 31 11.361 5.281 16.751 1.00 0.00 H ATOM 184 HD21 LEU A 31 9.519 7.100 15.166 1.00 0.00 H ATOM 185 HD22 LEU A 31 10.916 6.203 14.522 1.00 0.00 H ATOM 186 HD23 LEU A 31 9.502 5.320 15.148 1.00 0.00 H ATOM 187 HD11 LEU A 31 10.156 6.123 18.723 1.00 0.00 H ATOM 188 HD12 LEU A 31 9.070 7.057 17.665 1.00 0.00 H ATOM 189 HD13 LEU A 31 9.055 5.277 17.609 1.00 0.00 H ATOM 190 H LEU A 31 13.068 9.420 17.568 1.00 0.00 H ATOM 191 N SER A 32 14.480 6.371 17.607 1.00 13.80 N ATOM 192 CA SER A 32 15.464 5.298 17.603 1.00 15.01 C ATOM 193 C SER A 32 15.893 4.935 19.019 1.00 14.43 C ATOM 194 O SER A 32 16.061 3.760 19.339 1.00 14.89 O ATOM 195 CB SER A 32 16.692 5.709 16.788 1.00 15.10 C ATOM 196 OG SER A 32 17.696 4.709 16.848 1.00 17.57 O ATOM 197 HA SER A 32 14.999 4.424 17.148 1.00 0.00 H ATOM 198 HB2 SER A 32 17.091 6.641 17.189 1.00 0.00 H ATOM 199 HB3 SER A 32 16.398 5.858 15.749 1.00 0.00 H ATOM 200 HG SER A 32 17.969 4.573 17.790 1.00 0.00 H ATOM 201 H SER A 32 14.687 7.252 17.094 1.00 0.00 H ATOM 202 N LEU A 33 16.069 5.945 19.866 1.00 13.52 N ATOM 203 CA LEU A 33 16.492 5.714 21.242 1.00 12.84 C ATOM 204 C LEU A 33 15.380 5.048 22.044 1.00 12.93 C ATOM 205 O LEU A 33 15.641 4.174 22.872 1.00 12.79 O ATOM 206 CB LEU A 33 16.892 7.034 21.910 1.00 12.02 C ATOM 207 CG LEU A 33 17.940 7.864 21.161 1.00 14.87 C ATOM 208 CD1 LEU A 33 18.409 9.000 22.058 1.00 15.92 C ATOM 209 CD2 LEU A 33 19.115 6.990 20.752 1.00 15.07 C ATOM 210 HA LEU A 33 17.356 5.050 21.221 1.00 0.00 H ATOM 211 HB2 LEU A 33 15.994 7.643 22.015 1.00 0.00 H ATOM 212 HB3 LEU A 33 17.290 6.803 22.898 1.00 0.00 H ATOM 213 HG LEU A 33 17.496 8.278 20.256 1.00 0.00 H ATOM 214 HD21 LEU A 33 19.573 6.559 21.642 1.00 0.00 H ATOM 215 HD22 LEU A 33 18.762 6.191 20.100 1.00 0.00 H ATOM 216 HD23 LEU A 33 19.849 7.596 20.221 1.00 0.00 H ATOM 217 HD11 LEU A 33 17.559 9.630 22.318 1.00 0.00 H ATOM 218 HD12 LEU A 33 18.848 8.587 22.966 1.00 0.00 H ATOM 219 HD13 LEU A 33 19.155 9.594 21.530 1.00 0.00 H ATOM 220 H LEU A 33 15.902 6.918 19.541 1.00 0.00 H ATOM 221 N LEU A 34 14.142 5.460 21.797 1.00 12.39 N ATOM 222 CA LEU A 34 13.007 4.881 22.501 1.00 11.74 C ATOM 223 C LEU A 34 12.847 3.413 22.127 1.00 12.41 C ATOM 224 O LEU A 34 12.620 2.566 22.990 1.00 12.33 O ATOM 225 CB LEU A 34 11.723 5.644 22.165 1.00 11.51 C ATOM 226 CG LEU A 34 11.767 7.150 22.433 1.00 12.41 C ATOM 227 CD1 LEU A 34 10.426 7.764 22.070 1.00 12.80 C ATOM 228 CD2 LEU A 34 12.094 7.412 23.895 1.00 12.94 C ATOM 229 HA LEU A 34 13.192 4.957 23.572 1.00 0.00 H ATOM 230 HB2 LEU A 34 11.511 5.496 21.106 1.00 0.00 H ATOM 231 HB3 LEU A 34 10.914 5.220 22.759 1.00 0.00 H ATOM 232 HG LEU A 34 12.546 7.606 21.821 1.00 0.00 H ATOM 233 HD21 LEU A 34 11.328 6.959 24.524 1.00 0.00 H ATOM 234 HD22 LEU A 34 13.065 6.978 24.132 1.00 0.00 H ATOM 235 HD23 LEU A 34 12.122 8.487 24.073 1.00 0.00 H ATOM 236 HD11 LEU A 34 10.220 7.586 21.014 1.00 0.00 H ATOM 237 HD12 LEU A 34 9.643 7.308 22.676 1.00 0.00 H ATOM 238 HD13 LEU A 34 10.456 8.837 22.260 1.00 0.00 H ATOM 239 H LEU A 34 13.981 6.206 21.091 1.00 0.00 H ATOM 240 N LYS A 35 12.970 3.103 20.841 1.00 13.69 N ATOM 241 CA LYS A 35 12.835 1.719 20.409 1.00 14.28 C ATOM 242 C LYS A 35 13.968 0.844 20.936 1.00 14.59 C ATOM 243 O LYS A 35 13.762 -0.333 21.227 1.00 15.12 O ATOM 244 CB LYS A 35 12.763 1.638 18.882 1.00 15.57 C ATOM 245 CG LYS A 35 11.464 2.208 18.336 1.00 18.32 C ATOM 246 CD LYS A 35 11.244 1.846 16.882 1.00 22.11 C ATOM 247 CE LYS A 35 9.857 2.273 16.435 1.00 24.63 C ATOM 248 NZ LYS A 35 9.562 1.842 15.045 1.00 26.37 N ATOM 249 HA LYS A 35 11.904 1.337 20.828 1.00 0.00 H ATOM 250 HB2 LYS A 35 13.597 2.199 18.461 1.00 0.00 H ATOM 251 HB3 LYS A 35 12.841 0.593 18.582 1.00 0.00 H ATOM 252 HG2 LYS A 35 10.634 1.816 18.924 1.00 0.00 H ATOM 253 HG3 LYS A 35 11.492 3.294 18.427 1.00 0.00 H ATOM 254 HD2 LYS A 35 11.991 2.351 16.269 1.00 0.00 H ATOM 255 HD3 LYS A 35 11.345 0.767 16.761 1.00 0.00 H ATOM 256 HE2 LYS A 35 9.789 3.360 16.489 1.00 0.00 H ATOM 257 HE3 LYS A 35 9.120 1.831 17.105 1.00 0.00 H ATOM 258 HZ1 LYS A 35 10.257 2.265 14.397 1.00 0.00 H ATOM 259 HZ2 LYS A 35 9.618 0.805 14.986 1.00 0.00 H ATOM 260 HZ3 LYS A 35 8.606 2.155 14.782 1.00 0.00 H ATOM 261 H LYS A 35 13.163 3.849 20.143 1.00 0.00 H ATOM 262 N SER A 36 15.163 1.407 21.064 1.00 13.89 N ATOM 263 CA SER A 36 16.286 0.628 21.571 1.00 14.28 C ATOM 264 C SER A 36 16.008 0.243 23.020 1.00 15.28 C ATOM 265 O SER A 36 16.478 -0.789 23.500 1.00 15.49 O ATOM 266 CB SER A 36 17.585 1.434 21.493 1.00 14.38 C ATOM 267 OG SER A 36 17.573 2.515 22.407 1.00 13.40 O ATOM 268 HA SER A 36 16.401 -0.267 20.960 1.00 0.00 H ATOM 269 HB2 SER A 36 17.701 1.824 20.482 1.00 0.00 H ATOM 270 HB3 SER A 36 18.424 0.779 21.727 1.00 0.00 H ATOM 271 HG SER A 36 16.815 3.116 22.196 1.00 0.00 H ATOM 272 H SER A 36 15.298 2.404 20.802 1.00 0.00 H ATOM 273 N ALA A 37 15.233 1.076 23.710 1.00 14.78 N ATOM 274 CA ALA A 37 14.899 0.823 25.106 1.00 16.11 C ATOM 275 C ALA A 37 13.672 -0.063 25.267 1.00 15.57 C ATOM 276 O ALA A 37 13.295 -0.401 26.390 1.00 17.49 O ATOM 277 CB ALA A 37 14.686 2.144 25.841 1.00 14.84 C ATOM 278 HA ALA A 37 15.742 0.286 25.542 1.00 0.00 H ATOM 279 HB1 ALA A 37 15.599 2.737 25.792 1.00 0.00 H ATOM 280 HB2 ALA A 37 13.870 2.693 25.371 1.00 0.00 H ATOM 281 HB3 ALA A 37 14.437 1.943 26.883 1.00 0.00 H ATOM 282 H ALA A 37 14.857 1.926 23.243 1.00 0.00 H ATOM 283 N GLY A 38 13.037 -0.427 24.155 1.00 15.29 N ATOM 284 CA GLY A 38 11.872 -1.291 24.240 1.00 13.95 C ATOM 285 C GLY A 38 10.577 -0.795 23.618 1.00 17.26 C ATOM 286 O GLY A 38 9.619 -1.562 23.513 1.00 17.53 O ATOM 287 HA3 GLY A 38 11.677 -1.472 25.297 1.00 0.00 H ATOM 288 HA2 GLY A 38 12.128 -2.232 23.753 1.00 0.00 H ATOM 289 H GLY A 38 13.374 -0.094 23.229 1.00 0.00 H ATOM 290 N ALA A 39 10.527 0.473 23.214 1.00 16.67 N ATOM 291 CA ALA A 39 9.315 1.017 22.602 1.00 17.55 C ATOM 292 C ALA A 39 9.003 0.258 21.308 1.00 18.89 C ATOM 293 O ALA A 39 9.914 -0.083 20.549 1.00 17.41 O ATOM 294 CB ALA A 39 9.496 2.503 22.314 1.00 17.29 C ATOM 295 HA ALA A 39 8.480 0.896 23.292 1.00 0.00 H ATOM 296 HB1 ALA A 39 9.695 3.031 23.247 1.00 0.00 H ATOM 297 HB2 ALA A 39 10.335 2.640 21.632 1.00 0.00 H ATOM 298 HB3 ALA A 39 8.587 2.897 21.859 1.00 0.00 H ATOM 299 H ALA A 39 11.360 1.084 23.335 1.00 0.00 H ATOM 300 N GLN A 40 7.721 0.005 21.057 1.00 22.11 N ATOM 301 CA GLN A 40 7.314 -0.740 19.866 1.00 25.19 C ATOM 302 C GLN A 40 6.285 -0.057 18.968 1.00 25.96 C ATOM 303 O GLN A 40 5.593 -0.725 18.199 1.00 27.99 O ATOM 304 CB GLN A 40 6.780 -2.112 20.279 1.00 27.32 C ATOM 305 CG GLN A 40 7.775 -2.944 21.064 1.00 31.85 C ATOM 306 CD GLN A 40 7.170 -4.225 21.595 1.00 34.35 C ATOM 307 OE1 GLN A 40 6.239 -4.197 22.403 1.00 35.97 O ATOM 308 NE2 GLN A 40 7.693 -5.359 21.143 1.00 35.47 N ATOM 309 HA GLN A 40 8.219 -0.812 19.263 1.00 0.00 H ATOM 310 HB2 GLN A 40 5.893 -1.965 20.895 1.00 0.00 H ATOM 311 HB3 GLN A 40 6.508 -2.661 19.378 1.00 0.00 H ATOM 312 HG2 GLN A 40 8.611 -3.196 20.412 1.00 0.00 H ATOM 313 HG3 GLN A 40 8.138 -2.354 21.905 1.00 0.00 H ATOM 314 HE22 GLN A 40 8.478 -5.334 20.461 1.00 0.00 H ATOM 315 HE21 GLN A 40 7.317 -6.272 21.471 1.00 0.00 H ATOM 316 H GLN A 40 6.995 0.343 21.720 1.00 0.00 H ATOM 317 N LYS A 41 6.174 1.262 19.060 1.00 25.28 N ATOM 318 CA LYS A 41 5.228 1.990 18.221 1.00 24.52 C ATOM 319 C LYS A 41 5.812 3.323 17.770 1.00 22.84 C ATOM 320 O LYS A 41 6.951 3.646 18.105 1.00 22.90 O ATOM 321 CB LYS A 41 3.906 2.202 18.963 1.00 26.08 C ATOM 322 CG LYS A 41 4.039 2.792 20.350 1.00 26.98 C ATOM 323 CD LYS A 41 2.701 2.758 21.065 1.00 29.37 C ATOM 324 CE LYS A 41 2.813 3.273 22.487 1.00 30.03 C ATOM 325 NZ LYS A 41 1.514 3.154 23.204 1.00 33.95 N ATOM 326 HA LYS A 41 5.032 1.391 17.332 1.00 0.00 H ATOM 327 HB2 LYS A 41 3.287 2.873 18.367 1.00 0.00 H ATOM 328 HB3 LYS A 41 3.409 1.236 19.052 1.00 0.00 H ATOM 329 HG2 LYS A 41 4.767 2.214 20.919 1.00 0.00 H ATOM 330 HG3 LYS A 41 4.379 3.825 20.271 1.00 0.00 H ATOM 331 HD2 LYS A 41 1.992 3.380 20.518 1.00 0.00 H ATOM 332 HD3 LYS A 41 2.338 1.730 21.088 1.00 0.00 H ATOM 333 HE2 LYS A 41 3.113 4.321 22.464 1.00 0.00 H ATOM 334 HE3 LYS A 41 3.567 2.692 23.018 1.00 0.00 H ATOM 335 HZ1 LYS A 41 0.791 3.710 22.704 1.00 0.00 H ATOM 336 HZ2 LYS A 41 1.226 2.155 23.233 1.00 0.00 H ATOM 337 HZ3 LYS A 41 1.621 3.514 24.174 1.00 0.00 H ATOM 338 H LYS A 41 6.767 1.782 19.737 1.00 0.00 H ATOM 339 N GLU A 42 5.036 4.087 17.006 1.00 20.96 N ATOM 340 CA GLU A 42 5.494 5.376 16.492 1.00 20.11 C ATOM 341 C GLU A 42 4.924 6.592 17.211 1.00 17.46 C ATOM 342 O GLU A 42 5.473 7.690 17.105 1.00 14.02 O ATOM 343 CB GLU A 42 5.174 5.493 14.999 1.00 23.89 C ATOM 344 CG GLU A 42 5.986 4.573 14.105 1.00 29.33 C ATOM 345 CD GLU A 42 5.569 4.672 12.651 1.00 32.95 C ATOM 346 OE1 GLU A 42 5.616 5.788 12.089 1.00 34.45 O ATOM 347 OE2 GLU A 42 5.194 3.631 12.070 1.00 36.39 O ATOM 348 HA GLU A 42 6.569 5.385 16.673 1.00 0.00 H ATOM 349 HB2 GLU A 42 4.119 5.260 14.858 1.00 0.00 H ATOM 350 HB3 GLU A 42 5.362 6.521 14.690 1.00 0.00 H ATOM 351 HG2 GLU A 42 7.039 4.843 14.188 1.00 0.00 H ATOM 352 HG3 GLU A 42 5.848 3.545 14.441 1.00 0.00 H ATOM 353 H GLU A 42 4.078 3.758 16.768 1.00 0.00 H ATOM 354 N THR A 43 3.813 6.413 17.919 1.00 15.06 N ATOM 355 CA THR A 43 3.208 7.522 18.649 1.00 14.48 C ATOM 356 C THR A 43 3.019 7.127 20.105 1.00 14.36 C ATOM 357 O THR A 43 2.731 5.966 20.409 1.00 14.72 O ATOM 358 CB THR A 43 1.847 7.944 18.048 1.00 16.47 C ATOM 359 OG1 THR A 43 0.989 6.804 17.947 1.00 18.43 O ATOM 360 CG2 THR A 43 2.042 8.562 16.668 1.00 16.37 C ATOM 361 HA THR A 43 3.882 8.375 18.571 1.00 0.00 H ATOM 362 HB THR A 43 1.391 8.686 18.704 1.00 0.00 H ATOM 363 HG1 THR A 43 0.845 6.420 18.848 1.00 0.00 H ATOM 364 HG23 THR A 43 2.696 9.430 16.749 1.00 0.00 H ATOM 365 HG21 THR A 43 2.493 7.826 16.002 1.00 0.00 H ATOM 366 HG22 THR A 43 1.075 8.870 16.269 1.00 0.00 H ATOM 367 H THR A 43 3.370 5.472 17.953 1.00 0.00 H ATOM 368 N PHE A 44 3.187 8.098 20.998 1.00 12.60 N ATOM 369 CA PHE A 44 3.082 7.854 22.434 1.00 12.97 C ATOM 370 C PHE A 44 2.523 9.059 23.176 1.00 12.37 C ATOM 371 O PHE A 44 2.449 10.158 22.637 1.00 11.53 O ATOM 372 CB PHE A 44 4.466 7.596 23.049 1.00 15.76 C ATOM 373 CG PHE A 44 5.359 6.699 22.241 1.00 13.58 C ATOM 374 CD1 PHE A 44 5.970 7.156 21.082 1.00 13.85 C ATOM 375 CD2 PHE A 44 5.617 5.406 22.664 1.00 14.39 C ATOM 376 CE1 PHE A 44 6.819 6.342 20.364 1.00 13.46 C ATOM 377 CE2 PHE A 44 6.469 4.584 21.949 1.00 15.28 C ATOM 378 CZ PHE A 44 7.070 5.053 20.799 1.00 13.97 C ATOM 379 HA PHE A 44 2.423 6.992 22.538 1.00 0.00 H ATOM 380 HB2 PHE A 44 4.968 8.556 23.168 1.00 0.00 H ATOM 381 HB3 PHE A 44 4.322 7.139 24.028 1.00 0.00 H ATOM 382 HD2 PHE A 44 5.143 5.032 23.571 1.00 0.00 H ATOM 383 HE2 PHE A 44 6.665 3.568 22.293 1.00 0.00 H ATOM 384 HZ PHE A 44 7.742 4.408 20.233 1.00 0.00 H ATOM 385 HE1 PHE A 44 7.292 6.713 19.455 1.00 0.00 H ATOM 386 HD1 PHE A 44 5.776 8.171 20.735 1.00 0.00 H ATOM 387 H PHE A 44 3.399 9.060 20.664 1.00 0.00 H ATOM 388 N THR A 45 2.137 8.850 24.429 1.00 11.98 N ATOM 389 CA THR A 45 1.689 9.965 25.246 1.00 11.97 C ATOM 390 C THR A 45 3.035 10.476 25.747 1.00 12.28 C ATOM 391 O THR A 45 4.036 9.752 25.669 1.00 10.98 O ATOM 392 CB THR A 45 0.860 9.512 26.466 1.00 14.13 C ATOM 393 OG1 THR A 45 1.623 8.576 27.240 1.00 12.70 O ATOM 394 CG2 THR A 45 -0.442 8.873 26.019 1.00 14.72 C ATOM 395 HA THR A 45 1.055 10.668 24.706 1.00 0.00 H ATOM 396 HB THR A 45 0.624 10.384 27.076 1.00 0.00 H ATOM 397 HG1 THR A 45 1.091 8.286 28.023 1.00 0.00 H ATOM 398 HG23 THR A 45 -1.015 9.591 25.432 1.00 0.00 H ATOM 399 HG21 THR A 45 -0.224 7.995 25.410 1.00 0.00 H ATOM 400 HG22 THR A 45 -1.019 8.575 26.895 1.00 0.00 H ATOM 401 H THR A 45 2.155 7.889 24.826 1.00 0.00 H ATOM 402 N MET A 46 3.084 11.703 26.246 1.00 11.53 N ATOM 403 CA MET A 46 4.349 12.222 26.747 1.00 11.20 C ATOM 404 C MET A 46 4.856 11.354 27.892 1.00 11.81 C ATOM 405 O MET A 46 6.063 11.173 28.046 1.00 11.27 O ATOM 406 CB MET A 46 4.201 13.673 27.211 1.00 12.57 C ATOM 407 CG MET A 46 4.364 14.702 26.098 1.00 13.77 C ATOM 408 SD MET A 46 5.969 14.621 25.263 1.00 14.80 S ATOM 409 CE MET A 46 7.085 14.977 26.624 1.00 15.00 C ATOM 410 HA MET A 46 5.074 12.197 25.933 1.00 0.00 H ATOM 411 HB2 MET A 46 3.209 13.794 27.647 1.00 0.00 H ATOM 412 HB3 MET A 46 4.957 13.868 27.972 1.00 0.00 H ATOM 413 HG2 MET A 46 4.249 15.697 26.529 1.00 0.00 H ATOM 414 HG3 MET A 46 3.582 14.536 25.358 1.00 0.00 H ATOM 415 HE1 MET A 46 6.856 15.962 27.032 1.00 0.00 H ATOM 416 HE2 MET A 46 6.961 14.223 27.401 1.00 0.00 H ATOM 417 HE3 MET A 46 8.113 14.962 26.263 1.00 0.00 H ATOM 418 H MET A 46 2.226 12.290 26.279 1.00 0.00 H ATOM 419 N LYS A 47 3.937 10.809 28.685 1.00 12.69 N ATOM 420 CA LYS A 47 4.326 9.950 29.799 1.00 13.16 C ATOM 421 C LYS A 47 5.084 8.727 29.294 1.00 12.66 C ATOM 422 O LYS A 47 6.070 8.308 29.899 1.00 11.74 O ATOM 423 CB LYS A 47 3.093 9.501 30.588 1.00 16.37 C ATOM 424 CG LYS A 47 3.438 8.685 31.824 1.00 19.85 C ATOM 425 CD LYS A 47 2.205 8.352 32.645 1.00 21.50 C ATOM 426 CE LYS A 47 2.589 7.589 33.902 1.00 23.96 C ATOM 427 NZ LYS A 47 1.408 7.304 34.763 1.00 25.12 N ATOM 428 HA LYS A 47 4.978 10.525 30.456 1.00 0.00 H ATOM 429 HB2 LYS A 47 2.540 10.387 30.900 1.00 0.00 H ATOM 430 HB3 LYS A 47 2.466 8.894 29.935 1.00 0.00 H ATOM 431 HG2 LYS A 47 3.915 7.756 31.512 1.00 0.00 H ATOM 432 HG3 LYS A 47 4.130 9.257 32.443 1.00 0.00 H ATOM 433 HD2 LYS A 47 1.701 9.277 32.927 1.00 0.00 H ATOM 434 HD3 LYS A 47 1.530 7.740 32.046 1.00 0.00 H ATOM 435 HE2 LYS A 47 3.304 8.183 34.470 1.00 0.00 H ATOM 436 HE3 LYS A 47 3.051 6.645 33.614 1.00 0.00 H ATOM 437 HZ1 LYS A 47 0.964 8.200 35.049 1.00 0.00 H ATOM 438 HZ2 LYS A 47 0.723 6.731 34.231 1.00 0.00 H ATOM 439 HZ3 LYS A 47 1.715 6.783 35.609 1.00 0.00 H ATOM 440 H LYS A 47 2.929 10.997 28.509 1.00 0.00 H ATOM 441 N GLU A 48 4.621 8.155 28.185 1.00 11.31 N ATOM 442 CA GLU A 48 5.272 6.986 27.603 1.00 11.62 C ATOM 443 C GLU A 48 6.637 7.353 27.026 1.00 11.38 C ATOM 444 O GLU A 48 7.604 6.616 27.208 1.00 10.74 O ATOM 445 CB GLU A 48 4.383 6.364 26.518 1.00 12.21 C ATOM 446 CG GLU A 48 3.032 5.872 27.043 1.00 15.73 C ATOM 447 CD GLU A 48 2.138 5.325 25.944 1.00 18.15 C ATOM 448 OE1 GLU A 48 2.029 5.980 24.888 1.00 16.61 O ATOM 449 OE2 GLU A 48 1.532 4.249 26.142 1.00 21.30 O ATOM 450 HA GLU A 48 5.424 6.252 28.395 1.00 0.00 H ATOM 451 HB2 GLU A 48 4.202 7.114 25.748 1.00 0.00 H ATOM 452 HB3 GLU A 48 4.913 5.517 26.081 1.00 0.00 H ATOM 453 HG2 GLU A 48 3.208 5.083 27.774 1.00 0.00 H ATOM 454 HG3 GLU A 48 2.521 6.705 27.526 1.00 0.00 H ATOM 455 H GLU A 48 3.777 8.550 27.723 1.00 0.00 H ATOM 456 N VAL A 49 6.719 8.489 26.336 1.00 11.03 N ATOM 457 CA VAL A 49 7.990 8.933 25.764 1.00 9.45 C ATOM 458 C VAL A 49 9.023 9.039 26.876 1.00 9.19 C ATOM 459 O VAL A 49 10.127 8.505 26.775 1.00 9.91 O ATOM 460 CB VAL A 49 7.869 10.325 25.094 1.00 10.36 C ATOM 461 CG1 VAL A 49 9.252 10.836 24.707 1.00 10.32 C ATOM 462 CG2 VAL A 49 6.981 10.240 23.862 1.00 10.86 C ATOM 463 HA VAL A 49 8.284 8.205 25.008 1.00 0.00 H ATOM 464 HB VAL A 49 7.418 11.020 25.803 1.00 0.00 H ATOM 465 HG11 VAL A 49 9.871 10.919 25.601 1.00 0.00 H ATOM 466 HG12 VAL A 49 9.713 10.138 24.008 1.00 0.00 H ATOM 467 HG13 VAL A 49 9.158 11.815 24.237 1.00 0.00 H ATOM 468 HG21 VAL A 49 7.415 9.538 23.151 1.00 0.00 H ATOM 469 HG22 VAL A 49 5.989 9.897 24.154 1.00 0.00 H ATOM 470 HG23 VAL A 49 6.905 11.225 23.402 1.00 0.00 H ATOM 471 H VAL A 49 5.866 9.069 26.202 1.00 0.00 H ATOM 472 N LEU A 50 8.644 9.728 27.946 1.00 9.62 N ATOM 473 CA LEU A 50 9.533 9.929 29.079 1.00 10.27 C ATOM 474 C LEU A 50 9.927 8.618 29.746 1.00 10.38 C ATOM 475 O LEU A 50 11.088 8.431 30.109 1.00 10.04 O ATOM 476 CB LEU A 50 8.870 10.875 30.081 1.00 10.02 C ATOM 477 CG LEU A 50 8.727 12.295 29.523 1.00 13.36 C ATOM 478 CD1 LEU A 50 7.673 13.063 30.296 1.00 11.28 C ATOM 479 CD2 LEU A 50 10.076 12.999 29.587 1.00 11.01 C ATOM 480 HA LEU A 50 10.456 10.376 28.710 1.00 0.00 H ATOM 481 HB2 LEU A 50 7.879 10.491 30.325 1.00 0.00 H ATOM 482 HB3 LEU A 50 9.477 10.912 30.985 1.00 0.00 H ATOM 483 HG LEU A 50 8.405 12.247 28.483 1.00 0.00 H ATOM 484 HD21 LEU A 50 10.411 13.045 30.623 1.00 0.00 H ATOM 485 HD22 LEU A 50 10.802 12.444 28.993 1.00 0.00 H ATOM 486 HD23 LEU A 50 9.976 14.009 29.190 1.00 0.00 H ATOM 487 HD11 LEU A 50 6.715 12.549 30.211 1.00 0.00 H ATOM 488 HD12 LEU A 50 7.964 13.121 31.345 1.00 0.00 H ATOM 489 HD13 LEU A 50 7.585 14.069 29.886 1.00 0.00 H ATOM 490 H LEU A 50 7.687 10.134 27.974 1.00 0.00 H ATOM 491 N TYR A 51 8.968 7.708 29.904 1.00 9.34 N ATOM 492 CA TYR A 51 9.261 6.416 30.517 1.00 8.85 C ATOM 493 C TYR A 51 10.331 5.690 29.709 1.00 9.60 C ATOM 494 O TYR A 51 11.311 5.186 30.262 1.00 8.46 O ATOM 495 CB TYR A 51 8.007 5.538 30.572 1.00 8.08 C ATOM 496 CG TYR A 51 8.319 4.112 30.967 1.00 9.98 C ATOM 497 CD1 TYR A 51 8.637 3.786 32.279 1.00 10.69 C ATOM 498 CD2 TYR A 51 8.373 3.106 30.008 1.00 10.18 C ATOM 499 CE1 TYR A 51 9.008 2.495 32.627 1.00 12.32 C ATOM 500 CE2 TYR A 51 8.744 1.814 30.345 1.00 12.92 C ATOM 501 CZ TYR A 51 9.062 1.517 31.652 1.00 13.18 C ATOM 502 OH TYR A 51 9.459 0.242 31.983 1.00 14.59 O ATOM 503 HA TYR A 51 9.614 6.598 31.532 1.00 0.00 H ATOM 504 HB3 TYR A 51 7.538 5.534 29.588 1.00 0.00 H ATOM 505 HB2 TYR A 51 7.315 5.960 31.301 1.00 0.00 H ATOM 506 HD2 TYR A 51 8.119 3.338 28.974 1.00 0.00 H ATOM 507 HE2 TYR A 51 8.784 1.038 29.581 1.00 0.00 H ATOM 508 HE1 TYR A 51 9.255 2.254 33.661 1.00 0.00 H ATOM 509 HD1 TYR A 51 8.594 4.557 33.048 1.00 0.00 H ATOM 510 HH TYR A 51 8.737 -0.396 31.758 1.00 0.00 H ATOM 511 H TYR A 51 8.000 7.920 29.587 1.00 0.00 H ATOM 512 N HIS A 52 10.137 5.633 28.395 1.00 9.27 N ATOM 513 CA HIS A 52 11.095 4.956 27.533 1.00 8.63 C ATOM 514 C HIS A 52 12.460 5.643 27.522 1.00 9.41 C ATOM 515 O HIS A 52 13.489 4.973 27.454 1.00 8.55 O ATOM 516 CB HIS A 52 10.539 4.842 26.108 1.00 9.85 C ATOM 517 CG HIS A 52 9.401 3.875 25.982 1.00 10.62 C ATOM 518 ND1 HIS A 52 9.505 2.552 26.352 1.00 13.68 N ATOM 519 CD2 HIS A 52 8.137 4.039 25.522 1.00 14.85 C ATOM 520 CE1 HIS A 52 8.355 1.942 26.126 1.00 13.95 C ATOM 521 NE2 HIS A 52 7.508 2.822 25.624 1.00 16.47 N ATOM 522 HA HIS A 52 11.246 3.957 27.942 1.00 0.00 H ATOM 523 HB2 HIS A 52 10.191 5.826 25.794 1.00 0.00 H ATOM 524 HB3 HIS A 52 11.344 4.515 25.449 1.00 0.00 H ATOM 525 HD2 HIS A 52 7.701 4.963 25.142 1.00 0.00 H ATOM 526 HE1 HIS A 52 8.142 0.891 26.321 1.00 0.00 H ATOM 527 H HIS A 52 9.293 6.076 27.979 1.00 0.00 H ATOM 528 N LEU A 53 12.484 6.971 27.594 1.00 9.08 N ATOM 529 CA LEU A 53 13.763 7.673 27.601 1.00 10.12 C ATOM 530 C LEU A 53 14.485 7.331 28.900 1.00 9.26 C ATOM 531 O LEU A 53 15.704 7.158 28.919 1.00 10.25 O ATOM 532 CB LEU A 53 13.561 9.190 27.484 1.00 10.09 C ATOM 533 CG LEU A 53 14.846 10.013 27.342 1.00 14.17 C ATOM 534 CD1 LEU A 53 15.623 9.551 26.114 1.00 13.92 C ATOM 535 CD2 LEU A 53 14.500 11.493 27.234 1.00 15.42 C ATOM 536 HA LEU A 53 14.358 7.358 26.744 1.00 0.00 H ATOM 537 HB2 LEU A 53 12.940 9.381 26.609 1.00 0.00 H ATOM 538 HB3 LEU A 53 13.040 9.531 28.379 1.00 0.00 H ATOM 539 HG LEU A 53 15.471 9.865 28.223 1.00 0.00 H ATOM 540 HD21 LEU A 53 13.869 11.654 26.360 1.00 0.00 H ATOM 541 HD22 LEU A 53 13.967 11.807 28.132 1.00 0.00 H ATOM 542 HD23 LEU A 53 15.417 12.073 27.133 1.00 0.00 H ATOM 543 HD11 LEU A 53 15.880 8.497 26.223 1.00 0.00 H ATOM 544 HD12 LEU A 53 15.008 9.686 25.224 1.00 0.00 H ATOM 545 HD13 LEU A 53 16.535 10.141 26.020 1.00 0.00 H ATOM 546 H LEU A 53 11.594 7.507 27.645 1.00 0.00 H ATOM 547 N GLY A 54 13.721 7.225 29.985 1.00 8.89 N ATOM 548 CA GLY A 54 14.305 6.868 31.267 1.00 9.82 C ATOM 549 C GLY A 54 14.913 5.481 31.174 1.00 9.34 C ATOM 550 O GLY A 54 16.011 5.239 31.670 1.00 9.49 O ATOM 551 HA3 GLY A 54 13.531 6.876 32.034 1.00 0.00 H ATOM 552 HA2 GLY A 54 15.080 7.589 31.527 1.00 0.00 H ATOM 553 H GLY A 54 12.698 7.399 29.915 1.00 0.00 H ATOM 554 N GLN A 55 14.198 4.560 30.534 1.00 9.16 N ATOM 555 CA GLN A 55 14.702 3.200 30.373 1.00 8.90 C ATOM 556 C GLN A 55 15.992 3.196 29.557 1.00 9.18 C ATOM 557 O GLN A 55 16.909 2.422 29.837 1.00 9.38 O ATOM 558 CB GLN A 55 13.649 2.323 29.690 1.00 7.53 C ATOM 559 CG GLN A 55 12.421 2.081 30.544 1.00 9.14 C ATOM 560 CD GLN A 55 12.737 1.230 31.757 1.00 10.50 C ATOM 561 OE1 GLN A 55 13.118 0.065 31.625 1.00 12.38 O ATOM 562 NE2 GLN A 55 12.590 1.807 32.945 1.00 10.75 N ATOM 563 HA GLN A 55 14.916 2.795 31.362 1.00 0.00 H ATOM 564 HB2 GLN A 55 13.337 2.812 28.767 1.00 0.00 H ATOM 565 HB3 GLN A 55 14.101 1.360 29.454 1.00 0.00 H ATOM 566 HG2 GLN A 55 12.029 3.041 30.879 1.00 0.00 H ATOM 567 HG3 GLN A 55 11.667 1.572 29.943 1.00 0.00 H ATOM 568 HE22 GLN A 55 12.266 2.793 33.008 1.00 0.00 H ATOM 569 HE21 GLN A 55 12.799 1.272 33.812 1.00 0.00 H ATOM 570 H GLN A 55 13.268 4.812 30.143 1.00 0.00 H ATOM 571 N TYR A 56 16.052 4.057 28.546 1.00 6.96 N ATOM 572 CA TYR A 56 17.231 4.171 27.693 1.00 8.81 C ATOM 573 C TYR A 56 18.423 4.601 28.544 1.00 9.12 C ATOM 574 O TYR A 56 19.513 4.038 28.452 1.00 9.37 O ATOM 575 CB TYR A 56 16.981 5.208 26.594 1.00 8.72 C ATOM 576 CG TYR A 56 18.185 5.483 25.724 1.00 8.43 C ATOM 577 CD1 TYR A 56 18.530 4.625 24.687 1.00 9.78 C ATOM 578 CD2 TYR A 56 18.985 6.598 25.948 1.00 10.00 C ATOM 579 CE1 TYR A 56 19.639 4.872 23.893 1.00 9.74 C ATOM 580 CE2 TYR A 56 20.097 6.853 25.163 1.00 10.41 C ATOM 581 CZ TYR A 56 20.418 5.987 24.138 1.00 9.17 C ATOM 582 OH TYR A 56 21.524 6.236 23.357 1.00 10.58 O ATOM 583 HA TYR A 56 17.439 3.207 27.229 1.00 0.00 H ATOM 584 HB3 TYR A 56 16.678 6.143 27.066 1.00 0.00 H ATOM 585 HB2 TYR A 56 16.173 4.846 25.958 1.00 0.00 H ATOM 586 HD2 TYR A 56 18.732 7.284 26.756 1.00 0.00 H ATOM 587 HE2 TYR A 56 20.714 7.731 25.353 1.00 0.00 H ATOM 588 HE1 TYR A 56 19.895 4.191 23.081 1.00 0.00 H ATOM 589 HD1 TYR A 56 17.919 3.743 24.495 1.00 0.00 H ATOM 590 HH TYR A 56 21.611 5.525 22.674 1.00 0.00 H ATOM 591 H TYR A 56 15.233 4.669 28.357 1.00 0.00 H ATOM 592 N ILE A 57 18.200 5.610 29.379 1.00 9.19 N ATOM 593 CA ILE A 57 19.237 6.134 30.257 1.00 9.52 C ATOM 594 C ILE A 57 19.761 5.063 31.215 1.00 10.43 C ATOM 595 O ILE A 57 20.969 4.963 31.439 1.00 9.94 O ATOM 596 CB ILE A 57 18.694 7.357 31.036 1.00 8.44 C ATOM 597 CG1 ILE A 57 18.441 8.505 30.053 1.00 10.51 C ATOM 598 CG2 ILE A 57 19.674 7.780 32.119 1.00 9.31 C ATOM 599 CD1 ILE A 57 17.724 9.691 30.650 1.00 10.63 C ATOM 600 HA ILE A 57 20.079 6.450 29.641 1.00 0.00 H ATOM 601 HB ILE A 57 17.757 7.089 31.524 1.00 0.00 H ATOM 602 HG12 ILE A 57 19.403 8.845 29.671 1.00 0.00 H ATOM 603 HG13 ILE A 57 17.839 8.122 29.229 1.00 0.00 H ATOM 604 HD11 ILE A 57 16.751 9.374 31.027 1.00 0.00 H ATOM 605 HD12 ILE A 57 18.317 10.098 31.469 1.00 0.00 H ATOM 606 HD13 ILE A 57 17.587 10.455 29.884 1.00 0.00 H ATOM 607 HG21 ILE A 57 19.823 6.955 32.815 1.00 0.00 H ATOM 608 HG22 ILE A 57 20.627 8.047 31.661 1.00 0.00 H ATOM 609 HG23 ILE A 57 19.273 8.641 32.654 1.00 0.00 H ATOM 610 H ILE A 57 17.253 6.040 29.407 1.00 0.00 H ATOM 611 N MET A 58 18.864 4.251 31.768 1.00 9.45 N ATOM 612 CA MET A 58 19.281 3.187 32.677 1.00 10.51 C ATOM 613 C MET A 58 20.054 2.121 31.900 1.00 10.92 C ATOM 614 O MET A 58 21.091 1.633 32.356 1.00 12.16 O ATOM 615 CB MET A 58 18.065 2.534 33.354 1.00 11.15 C ATOM 616 CG MET A 58 17.239 3.451 34.250 1.00 11.05 C ATOM 617 SD MET A 58 18.193 4.301 35.522 1.00 12.65 S ATOM 618 CE MET A 58 18.624 2.944 36.604 1.00 12.68 C ATOM 619 HA MET A 58 19.917 3.625 33.446 1.00 0.00 H ATOM 620 HB2 MET A 58 17.410 2.151 32.571 1.00 0.00 H ATOM 621 HB3 MET A 58 18.425 1.705 33.963 1.00 0.00 H ATOM 622 HG2 MET A 58 16.474 2.850 34.741 1.00 0.00 H ATOM 623 HG3 MET A 58 16.761 4.203 33.622 1.00 0.00 H ATOM 624 HE1 MET A 58 17.713 2.480 36.983 1.00 0.00 H ATOM 625 HE2 MET A 58 19.204 2.208 36.048 1.00 0.00 H ATOM 626 HE3 MET A 58 19.216 3.320 37.438 1.00 0.00 H ATOM 627 H MET A 58 17.855 4.375 31.551 1.00 0.00 H ATOM 628 N ALA A 59 19.545 1.768 30.722 1.00 12.16 N ATOM 629 CA ALA A 59 20.172 0.750 29.881 1.00 11.56 C ATOM 630 C ALA A 59 21.583 1.133 29.452 1.00 13.49 C ATOM 631 O ALA A 59 22.482 0.291 29.434 1.00 13.50 O ATOM 632 CB ALA A 59 19.313 0.495 28.649 1.00 11.46 C ATOM 633 HA ALA A 59 20.250 -0.157 30.480 1.00 0.00 H ATOM 634 HB1 ALA A 59 18.328 0.148 28.960 1.00 0.00 H ATOM 635 HB2 ALA A 59 19.212 1.420 28.081 1.00 0.00 H ATOM 636 HB3 ALA A 59 19.787 -0.265 28.028 1.00 0.00 H ATOM 637 H ALA A 59 18.675 2.230 30.390 1.00 0.00 H ATOM 638 N LYS A 60 21.766 2.405 29.106 1.00 12.74 N ATOM 639 CA LYS A 60 23.061 2.915 28.662 1.00 12.99 C ATOM 640 C LYS A 60 23.957 3.349 29.823 1.00 12.80 C ATOM 641 O LYS A 60 25.098 3.762 29.609 1.00 13.29 O ATOM 642 CB LYS A 60 22.864 4.108 27.722 1.00 14.75 C ATOM 643 CG LYS A 60 22.193 3.782 26.398 1.00 18.72 C ATOM 644 CD LYS A 60 23.056 2.878 25.546 1.00 21.20 C ATOM 645 CE LYS A 60 22.422 2.650 24.185 1.00 22.93 C ATOM 646 NZ LYS A 60 21.037 2.123 24.310 1.00 28.75 N ATOM 647 HA LYS A 60 23.555 2.093 28.144 1.00 0.00 H ATOM 648 HB2 LYS A 60 22.252 4.847 28.238 1.00 0.00 H ATOM 649 HB3 LYS A 60 23.844 4.535 27.508 1.00 0.00 H ATOM 650 HG2 LYS A 60 21.244 3.283 26.595 1.00 0.00 H ATOM 651 HG3 LYS A 60 22.009 4.710 25.856 1.00 0.00 H ATOM 652 HD2 LYS A 60 24.034 3.340 25.412 1.00 0.00 H ATOM 653 HD3 LYS A 60 23.175 1.919 26.050 1.00 0.00 H ATOM 654 HE2 LYS A 60 23.025 1.933 23.629 1.00 0.00 H ATOM 655 HE3 LYS A 60 22.394 3.596 23.644 1.00 0.00 H ATOM 656 HZ1 LYS A 60 21.057 1.217 24.820 1.00 0.00 H ATOM 657 HZ2 LYS A 60 20.454 2.805 24.835 1.00 0.00 H ATOM 658 HZ3 LYS A 60 20.635 1.979 23.362 1.00 0.00 H ATOM 659 H LYS A 60 20.959 3.059 29.153 1.00 0.00 H ATOM 660 N GLN A 61 23.437 3.256 31.044 1.00 11.73 N ATOM 661 CA GLN A 61 24.181 3.653 32.234 1.00 12.40 C ATOM 662 C GLN A 61 24.693 5.083 32.122 1.00 12.05 C ATOM 663 O GLN A 61 25.840 5.377 32.477 1.00 12.36 O ATOM 664 CB GLN A 61 25.355 2.705 32.467 1.00 16.03 C ATOM 665 CG GLN A 61 24.929 1.360 33.007 1.00 22.09 C ATOM 666 CD GLN A 61 24.250 1.477 34.356 1.00 26.00 C ATOM 667 OE1 GLN A 61 24.820 2.028 35.301 1.00 30.11 O ATOM 668 NE2 GLN A 61 23.028 0.958 34.456 1.00 26.65 N ATOM 669 HA GLN A 61 23.497 3.600 33.081 1.00 0.00 H ATOM 670 HB2 GLN A 61 25.871 2.552 31.519 1.00 0.00 H ATOM 671 HB3 GLN A 61 26.038 3.166 33.181 1.00 0.00 H ATOM 672 HG2 GLN A 61 24.235 0.902 32.302 1.00 0.00 H ATOM 673 HG3 GLN A 61 25.810 0.727 33.110 1.00 0.00 H ATOM 674 HE22 GLN A 61 22.587 0.503 33.631 1.00 0.00 H ATOM 675 HE21 GLN A 61 22.514 1.008 35.359 1.00 0.00 H ATOM 676 H GLN A 61 22.470 2.889 31.153 1.00 0.00 H ATOM 677 N LEU A 62 23.834 5.975 31.642 1.00 11.54 N ATOM 678 CA LEU A 62 24.213 7.374 31.479 1.00 10.33 C ATOM 679 C LEU A 62 24.140 8.186 32.765 1.00 11.48 C ATOM 680 O LEU A 62 24.715 9.269 32.848 1.00 11.96 O ATOM 681 CB LEU A 62 23.337 8.036 30.416 1.00 12.38 C ATOM 682 CG LEU A 62 23.330 7.359 29.046 1.00 12.47 C ATOM 683 CD1 LEU A 62 22.544 8.219 28.070 1.00 13.52 C ATOM 684 CD2 LEU A 62 24.758 7.163 28.553 1.00 11.43 C ATOM 685 HA LEU A 62 25.258 7.365 31.170 1.00 0.00 H ATOM 686 HB2 LEU A 62 22.312 8.050 30.788 1.00 0.00 H ATOM 687 HB3 LEU A 62 23.688 9.059 30.282 1.00 0.00 H ATOM 688 HG LEU A 62 22.857 6.380 29.123 1.00 0.00 H ATOM 689 HD21 LEU A 62 25.249 8.133 28.472 1.00 0.00 H ATOM 690 HD22 LEU A 62 25.302 6.537 29.260 1.00 0.00 H ATOM 691 HD23 LEU A 62 24.741 6.680 27.576 1.00 0.00 H ATOM 692 HD11 LEU A 62 21.521 8.332 28.429 1.00 0.00 H ATOM 693 HD12 LEU A 62 23.013 9.200 27.993 1.00 0.00 H ATOM 694 HD13 LEU A 62 22.536 7.740 27.091 1.00 0.00 H ATOM 695 H LEU A 62 22.875 5.671 31.378 1.00 0.00 H ATOM 696 N TYR A 63 23.438 7.680 33.771 1.00 10.65 N ATOM 697 CA TYR A 63 23.338 8.415 35.025 1.00 10.67 C ATOM 698 C TYR A 63 24.670 8.414 35.780 1.00 10.51 C ATOM 699 O TYR A 63 25.483 7.497 35.648 1.00 10.73 O ATOM 700 CB TYR A 63 22.213 7.836 35.896 1.00 12.42 C ATOM 701 CG TYR A 63 22.411 6.395 36.304 1.00 14.28 C ATOM 702 CD1 TYR A 63 23.198 6.064 37.396 1.00 16.64 C ATOM 703 CD2 TYR A 63 21.818 5.363 35.586 1.00 16.46 C ATOM 704 CE1 TYR A 63 23.390 4.743 37.765 1.00 18.31 C ATOM 705 CE2 TYR A 63 22.007 4.042 35.947 1.00 17.39 C ATOM 706 CZ TYR A 63 22.793 3.739 37.036 1.00 19.26 C ATOM 707 OH TYR A 63 22.992 2.427 37.395 1.00 21.92 O ATOM 708 HA TYR A 63 23.096 9.452 34.791 1.00 0.00 H ATOM 709 HB3 TYR A 63 21.280 7.906 35.337 1.00 0.00 H ATOM 710 HB2 TYR A 63 22.139 8.439 36.801 1.00 0.00 H ATOM 711 HD2 TYR A 63 21.194 5.599 34.724 1.00 0.00 H ATOM 712 HE2 TYR A 63 21.536 3.244 35.372 1.00 0.00 H ATOM 713 HE1 TYR A 63 24.010 4.499 38.628 1.00 0.00 H ATOM 714 HD1 TYR A 63 23.674 6.856 37.974 1.00 0.00 H ATOM 715 HH TYR A 63 23.422 1.943 36.646 1.00 0.00 H ATOM 716 H TYR A 63 22.961 6.762 33.665 1.00 0.00 H ATOM 717 N ASP A 64 24.887 9.468 36.553 1.00 10.60 N ATOM 718 CA ASP A 64 26.100 9.637 37.340 1.00 10.21 C ATOM 719 C ASP A 64 26.140 8.623 38.487 1.00 11.86 C ATOM 720 O ASP A 64 25.138 8.394 39.162 1.00 10.48 O ATOM 721 CB ASP A 64 26.139 11.069 37.875 1.00 10.34 C ATOM 722 CG ASP A 64 27.453 11.413 38.526 1.00 12.23 C ATOM 723 OD1 ASP A 64 27.580 11.214 39.751 1.00 13.25 O ATOM 724 OD2 ASP A 64 28.361 11.875 37.806 1.00 12.34 O ATOM 725 HA ASP A 64 26.975 9.460 36.715 1.00 0.00 H ATOM 726 HB2 ASP A 64 25.971 11.756 37.045 1.00 0.00 H ATOM 727 HB3 ASP A 64 25.344 11.188 38.611 1.00 0.00 H ATOM 728 H ASP A 64 24.158 10.208 36.600 1.00 0.00 H ATOM 729 N GLU A 65 27.302 8.016 38.705 1.00 12.18 N ATOM 730 CA GLU A 65 27.440 7.014 39.759 1.00 15.66 C ATOM 731 C GLU A 65 27.184 7.534 41.171 1.00 15.59 C ATOM 732 O GLU A 65 26.561 6.846 41.982 1.00 15.29 O ATOM 733 CB GLU A 65 28.835 6.388 39.710 1.00 19.04 C ATOM 734 CG GLU A 65 29.077 5.341 40.786 1.00 26.46 C ATOM 735 CD GLU A 65 30.528 4.907 40.865 1.00 30.65 C ATOM 736 OE1 GLU A 65 31.069 4.439 39.841 1.00 34.17 O ATOM 737 OE2 GLU A 65 31.129 5.035 41.955 1.00 34.41 O ATOM 738 HA GLU A 65 26.664 6.277 39.554 1.00 0.00 H ATOM 739 HB2 GLU A 65 28.966 5.917 38.736 1.00 0.00 H ATOM 740 HB3 GLU A 65 29.572 7.182 39.831 1.00 0.00 H ATOM 741 HG2 GLU A 65 28.784 5.757 41.750 1.00 0.00 H ATOM 742 HG3 GLU A 65 28.463 4.467 40.567 1.00 0.00 H ATOM 743 H GLU A 65 28.125 8.258 38.117 1.00 0.00 H ATOM 744 N LYS A 66 27.666 8.743 41.456 1.00 17.01 N ATOM 745 CA LYS A 66 27.531 9.360 42.778 1.00 17.09 C ATOM 746 C LYS A 66 26.262 10.194 42.976 1.00 15.59 C ATOM 747 O LYS A 66 25.675 10.194 44.057 1.00 17.19 O ATOM 748 CB LYS A 66 28.761 10.226 43.058 1.00 20.24 C ATOM 749 CG LYS A 66 30.074 9.462 42.987 1.00 24.77 C ATOM 750 CD LYS A 66 30.100 8.332 44.003 1.00 28.74 C ATOM 751 CE LYS A 66 31.386 7.526 43.916 1.00 31.18 C ATOM 752 NZ LYS A 66 31.404 6.423 44.918 1.00 32.47 N ATOM 753 HA LYS A 66 27.450 8.534 43.485 1.00 0.00 H ATOM 754 HB2 LYS A 66 28.790 11.031 42.323 1.00 0.00 H ATOM 755 HB3 LYS A 66 28.663 10.651 44.057 1.00 0.00 H ATOM 756 HG2 LYS A 66 30.191 9.045 41.987 1.00 0.00 H ATOM 757 HG3 LYS A 66 30.897 10.146 43.193 1.00 0.00 H ATOM 758 HD2 LYS A 66 30.015 8.755 45.004 1.00 0.00 H ATOM 759 HD3 LYS A 66 29.255 7.670 43.817 1.00 0.00 H ATOM 760 HE2 LYS A 66 32.233 8.187 44.100 1.00 0.00 H ATOM 761 HE3 LYS A 66 31.471 7.099 42.917 1.00 0.00 H ATOM 762 HZ1 LYS A 66 31.329 6.824 45.875 1.00 0.00 H ATOM 763 HZ2 LYS A 66 30.601 5.785 44.744 1.00 0.00 H ATOM 764 HZ3 LYS A 66 32.295 5.893 44.832 1.00 0.00 H ATOM 765 H LYS A 66 28.159 9.271 40.708 1.00 0.00 H ATOM 766 N GLN A 67 25.859 10.921 41.941 1.00 12.97 N ATOM 767 CA GLN A 67 24.650 11.739 41.990 1.00 12.60 C ATOM 768 C GLN A 67 23.782 11.181 40.877 1.00 13.05 C ATOM 769 O GLN A 67 23.778 11.679 39.755 1.00 11.73 O ATOM 770 CB GLN A 67 24.984 13.212 41.748 1.00 13.67 C ATOM 771 CG GLN A 67 25.737 13.854 42.909 1.00 17.11 C ATOM 772 CD GLN A 67 26.098 15.303 42.654 1.00 19.31 C ATOM 773 OE1 GLN A 67 27.036 15.604 41.913 1.00 19.04 O ATOM 774 NE2 GLN A 67 25.347 16.214 43.264 1.00 19.82 N ATOM 775 HA GLN A 67 24.153 11.702 42.959 1.00 0.00 H ATOM 776 HB2 GLN A 67 25.600 13.286 40.852 1.00 0.00 H ATOM 777 HB3 GLN A 67 24.053 13.758 41.594 1.00 0.00 H ATOM 778 HG2 GLN A 67 25.110 13.804 43.799 1.00 0.00 H ATOM 779 HG3 GLN A 67 26.655 13.292 43.080 1.00 0.00 H ATOM 780 HE22 GLN A 67 24.565 15.915 43.881 1.00 0.00 H ATOM 781 HE21 GLN A 67 25.541 17.226 43.124 1.00 0.00 H ATOM 782 H GLN A 67 26.422 10.908 41.067 1.00 0.00 H ATOM 783 N GLN A 68 23.048 10.129 41.216 1.00 13.05 N ATOM 784 CA GLN A 68 22.222 9.411 40.261 1.00 12.77 C ATOM 785 C GLN A 68 21.116 10.154 39.522 1.00 11.23 C ATOM 786 O GLN A 68 20.558 9.616 38.565 1.00 11.02 O ATOM 787 CB GLN A 68 21.661 8.162 40.943 1.00 16.58 C ATOM 788 CG GLN A 68 22.759 7.272 41.515 1.00 21.14 C ATOM 789 CD GLN A 68 22.220 6.046 42.218 1.00 26.49 C ATOM 790 OE1 GLN A 68 21.599 5.186 41.598 1.00 29.81 O ATOM 791 NE2 GLN A 68 22.454 5.962 43.524 1.00 30.03 N ATOM 792 HA GLN A 68 22.912 9.193 39.446 1.00 0.00 H ATOM 793 HB2 GLN A 68 21.002 8.471 41.754 1.00 0.00 H ATOM 794 HB3 GLN A 68 21.091 7.589 40.212 1.00 0.00 H ATOM 795 HG2 GLN A 68 23.405 6.949 40.699 1.00 0.00 H ATOM 796 HG3 GLN A 68 23.342 7.854 42.229 1.00 0.00 H ATOM 797 HE22 GLN A 68 22.985 6.715 44.007 1.00 0.00 H ATOM 798 HE21 GLN A 68 22.106 5.143 44.063 1.00 0.00 H ATOM 799 H GLN A 68 23.065 9.806 42.204 1.00 0.00 H ATOM 800 N HIS A 69 20.788 11.372 39.944 1.00 9.98 N ATOM 801 CA HIS A 69 19.751 12.132 39.250 1.00 10.97 C ATOM 802 C HIS A 69 20.362 12.855 38.052 1.00 11.06 C ATOM 803 O HIS A 69 19.650 13.341 37.171 1.00 11.10 O ATOM 804 CB HIS A 69 19.087 13.136 40.206 1.00 13.11 C ATOM 805 CG HIS A 69 20.025 14.161 40.764 1.00 13.45 C ATOM 806 ND1 HIS A 69 20.296 15.350 40.123 1.00 16.07 N ATOM 807 CD2 HIS A 69 20.759 14.170 41.902 1.00 17.53 C ATOM 808 CE1 HIS A 69 21.155 16.050 40.842 1.00 18.20 C ATOM 809 NE2 HIS A 69 21.452 15.357 41.926 1.00 17.19 N ATOM 810 HA HIS A 69 18.983 11.445 38.896 1.00 0.00 H ATOM 811 HB2 HIS A 69 18.296 13.654 39.663 1.00 0.00 H ATOM 812 HB3 HIS A 69 18.652 12.581 41.037 1.00 0.00 H ATOM 813 HD2 HIS A 69 20.794 13.384 42.657 1.00 0.00 H ATOM 814 HE1 HIS A 69 21.551 17.032 40.584 1.00 0.00 H ATOM 815 H HIS A 69 21.270 11.784 40.769 1.00 0.00 H ATOM 816 N ILE A 70 21.690 12.903 38.015 1.00 10.55 N ATOM 817 CA ILE A 70 22.405 13.559 36.923 1.00 10.52 C ATOM 818 C ILE A 70 22.592 12.597 35.752 1.00 12.15 C ATOM 819 O ILE A 70 23.014 11.455 35.935 1.00 12.90 O ATOM 820 CB ILE A 70 23.793 14.054 37.388 1.00 11.64 C ATOM 821 CG1 ILE A 70 23.629 15.153 38.440 1.00 13.64 C ATOM 822 CG2 ILE A 70 24.587 14.578 36.198 1.00 10.79 C ATOM 823 CD1 ILE A 70 23.054 16.438 37.889 1.00 14.18 C ATOM 824 HA ILE A 70 21.807 14.413 36.606 1.00 0.00 H ATOM 825 HB ILE A 70 24.337 13.220 37.831 1.00 0.00 H ATOM 826 HG12 ILE A 70 22.965 14.785 39.222 1.00 0.00 H ATOM 827 HG13 ILE A 70 24.608 15.369 38.868 1.00 0.00 H ATOM 828 HD11 ILE A 70 23.713 16.826 37.112 1.00 0.00 H ATOM 829 HD12 ILE A 70 22.069 16.242 37.466 1.00 0.00 H ATOM 830 HD13 ILE A 70 22.967 17.170 38.692 1.00 0.00 H ATOM 831 HG21 ILE A 70 24.717 13.778 35.469 1.00 0.00 H ATOM 832 HG22 ILE A 70 24.047 15.406 35.738 1.00 0.00 H ATOM 833 HG23 ILE A 70 25.563 14.924 36.538 1.00 0.00 H ATOM 834 H ILE A 70 22.234 12.462 38.784 1.00 0.00 H ATOM 835 N VAL A 71 22.268 13.063 34.549 1.00 9.53 N ATOM 836 CA VAL A 71 22.400 12.249 33.343 1.00 9.51 C ATOM 837 C VAL A 71 23.510 12.812 32.454 1.00 9.82 C ATOM 838 O VAL A 71 23.464 13.982 32.067 1.00 12.01 O ATOM 839 CB VAL A 71 21.077 12.235 32.535 1.00 9.37 C ATOM 840 CG1 VAL A 71 21.236 11.385 31.277 1.00 10.98 C ATOM 841 CG2 VAL A 71 19.937 11.703 33.404 1.00 8.13 C ATOM 842 HA VAL A 71 22.642 11.232 33.651 1.00 0.00 H ATOM 843 HB VAL A 71 20.836 13.254 32.233 1.00 0.00 H ATOM 844 HG11 VAL A 71 22.029 11.802 30.656 1.00 0.00 H ATOM 845 HG12 VAL A 71 21.493 10.364 31.560 1.00 0.00 H ATOM 846 HG13 VAL A 71 20.299 11.384 30.720 1.00 0.00 H ATOM 847 HG21 VAL A 71 20.171 10.688 33.727 1.00 0.00 H ATOM 848 HG22 VAL A 71 19.817 12.345 34.277 1.00 0.00 H ATOM 849 HG23 VAL A 71 19.013 11.698 32.826 1.00 0.00 H ATOM 850 H VAL A 71 21.910 14.036 34.464 1.00 0.00 H ATOM 851 N HIS A 72 24.503 11.976 32.147 1.00 9.53 N ATOM 852 CA HIS A 72 25.641 12.351 31.300 1.00 10.20 C ATOM 853 C HIS A 72 25.350 12.022 29.839 1.00 11.41 C ATOM 854 O HIS A 72 25.076 10.872 29.499 1.00 11.35 O ATOM 855 CB HIS A 72 26.894 11.596 31.745 1.00 9.55 C ATOM 856 CG HIS A 72 27.437 12.055 33.061 1.00 9.36 C ATOM 857 ND1 HIS A 72 28.115 13.246 33.209 1.00 12.24 N ATOM 858 CD2 HIS A 72 27.370 11.503 34.294 1.00 9.74 C ATOM 859 CE1 HIS A 72 28.440 13.408 34.479 1.00 10.34 C ATOM 860 NE2 HIS A 72 27.999 12.365 35.159 1.00 10.15 N ATOM 861 HA HIS A 72 25.804 13.424 31.399 1.00 0.00 H ATOM 862 HB2 HIS A 72 26.648 10.537 31.824 1.00 0.00 H ATOM 863 HB3 HIS A 72 27.666 11.733 30.987 1.00 0.00 H ATOM 864 HD2 HIS A 72 26.904 10.552 34.553 1.00 0.00 H ATOM 865 HE1 HIS A 72 28.980 14.258 34.895 1.00 0.00 H ATOM 866 H HIS A 72 24.469 11.009 32.528 1.00 0.00 H ATOM 867 N CYS A 73 25.423 13.028 28.973 1.00 11.06 N ATOM 868 CA CYS A 73 25.136 12.830 27.557 1.00 12.34 C ATOM 869 C CYS A 73 26.327 13.084 26.640 1.00 12.90 C ATOM 870 O CYS A 73 26.256 12.819 25.442 1.00 12.10 O ATOM 871 CB CYS A 73 23.990 13.751 27.125 1.00 12.36 C ATOM 872 SG CYS A 73 22.480 13.621 28.106 1.00 14.88 S ATOM 873 HA CYS A 73 24.868 11.778 27.455 1.00 0.00 H ATOM 874 HB2 CYS A 73 23.741 13.515 26.090 1.00 0.00 H ATOM 875 HB3 CYS A 73 24.344 14.780 27.187 1.00 0.00 H ATOM 876 HG CYS A 73 21.536 14.499 27.613 1.00 0.00 H ATOM 877 H CYS A 73 25.690 13.974 29.312 1.00 0.00 H ATOM 878 N SER A 74 27.419 13.591 27.199 1.00 14.88 N ATOM 879 CA SER A 74 28.600 13.903 26.401 1.00 16.29 C ATOM 880 C SER A 74 29.212 12.737 25.623 1.00 15.80 C ATOM 881 O SER A 74 29.876 12.953 24.608 1.00 17.42 O ATOM 882 CB SER A 74 29.670 14.552 27.289 1.00 16.64 C ATOM 883 OG SER A 74 29.983 13.715 28.387 1.00 21.47 O ATOM 884 HA SER A 74 28.242 14.590 25.634 1.00 0.00 H ATOM 885 HB2 SER A 74 29.296 15.506 27.661 1.00 0.00 H ATOM 886 HB3 SER A 74 30.571 14.721 26.699 1.00 0.00 H ATOM 887 HG SER A 74 29.167 13.562 28.927 1.00 0.00 H ATOM 888 H SER A 74 27.433 13.769 28.224 1.00 0.00 H ATOM 889 N ASN A 75 28.994 11.508 26.078 1.00 14.38 N ATOM 890 CA ASN A 75 29.562 10.351 25.387 1.00 14.94 C ATOM 891 C ASN A 75 28.504 9.493 24.690 1.00 13.85 C ATOM 892 O ASN A 75 28.796 8.380 24.251 1.00 13.68 O ATOM 893 CB ASN A 75 30.341 9.474 26.380 1.00 17.24 C ATOM 894 CG ASN A 75 31.299 10.279 27.250 1.00 20.72 C ATOM 895 OD1 ASN A 75 32.134 11.029 26.745 1.00 23.69 O ATOM 896 ND2 ASN A 75 31.183 10.120 28.566 1.00 23.78 N ATOM 897 HA ASN A 75 30.226 10.745 24.618 1.00 0.00 H ATOM 898 HB2 ASN A 75 29.629 8.962 27.027 1.00 0.00 H ATOM 899 HB3 ASN A 75 30.915 8.737 25.819 1.00 0.00 H ATOM 900 HD22 ASN A 75 30.463 9.476 28.950 1.00 0.00 H ATOM 901 HD21 ASN A 75 31.812 10.640 29.210 1.00 0.00 H ATOM 902 H ASN A 75 28.416 11.368 26.931 1.00 0.00 H ATOM 903 N ASP A 76 27.291 10.023 24.556 1.00 11.80 N ATOM 904 CA ASP A 76 26.185 9.277 23.952 1.00 11.81 C ATOM 905 C ASP A 76 25.420 10.096 22.911 1.00 11.09 C ATOM 906 O ASP A 76 25.400 11.322 22.975 1.00 10.98 O ATOM 907 CB ASP A 76 25.219 8.856 25.067 1.00 12.25 C ATOM 908 CG ASP A 76 24.207 7.830 24.614 1.00 12.90 C ATOM 909 OD1 ASP A 76 24.528 6.620 24.652 1.00 12.99 O ATOM 910 OD2 ASP A 76 23.094 8.232 24.211 1.00 11.14 O ATOM 911 HA ASP A 76 26.605 8.413 23.438 1.00 0.00 H ATOM 912 HB2 ASP A 76 25.798 8.434 25.888 1.00 0.00 H ATOM 913 HB3 ASP A 76 24.686 9.740 25.417 1.00 0.00 H ATOM 914 H ASP A 76 27.124 10.994 24.889 1.00 0.00 H ATOM 915 N PRO A 77 24.774 9.426 21.938 1.00 12.15 N ATOM 916 CA PRO A 77 24.013 10.148 20.911 1.00 11.82 C ATOM 917 C PRO A 77 22.919 11.033 21.506 1.00 12.12 C ATOM 918 O PRO A 77 22.455 11.967 20.857 1.00 12.83 O ATOM 919 CB PRO A 77 23.444 9.024 20.051 1.00 11.98 C ATOM 920 CG PRO A 77 24.518 7.985 20.130 1.00 12.97 C ATOM 921 CD PRO A 77 24.870 7.994 21.602 1.00 11.80 C ATOM 922 HA PRO A 77 24.628 10.848 20.345 1.00 0.00 H ATOM 923 HD3 PRO A 77 24.160 7.404 22.182 1.00 0.00 H ATOM 924 HD2 PRO A 77 25.878 7.615 21.770 1.00 0.00 H ATOM 925 HG3 PRO A 77 25.377 8.258 19.517 1.00 0.00 H ATOM 926 HG2 PRO A 77 24.146 7.009 19.819 1.00 0.00 H ATOM 927 HB2 PRO A 77 22.504 8.652 20.459 1.00 0.00 H ATOM 928 HB3 PRO A 77 23.288 9.353 19.024 1.00 0.00 H ATOM 929 N LEU A 78 22.501 10.735 22.736 1.00 11.58 N ATOM 930 CA LEU A 78 21.477 11.543 23.393 1.00 10.86 C ATOM 931 C LEU A 78 21.990 12.981 23.509 1.00 11.85 C ATOM 932 O LEU A 78 21.209 13.932 23.524 1.00 10.59 O ATOM 933 CB LEU A 78 21.160 10.983 24.787 1.00 12.20 C ATOM 934 CG LEU A 78 20.132 11.762 25.618 1.00 11.81 C ATOM 935 CD1 LEU A 78 18.824 11.877 24.844 1.00 12.39 C ATOM 936 CD2 LEU A 78 19.906 11.061 26.951 1.00 15.07 C ATOM 937 HA LEU A 78 20.561 11.520 22.803 1.00 0.00 H ATOM 938 HB2 LEU A 78 20.783 9.968 24.659 1.00 0.00 H ATOM 939 HB3 LEU A 78 22.091 10.955 25.353 1.00 0.00 H ATOM 940 HG LEU A 78 20.510 12.765 25.814 1.00 0.00 H ATOM 941 HD21 LEU A 78 19.534 10.052 26.771 1.00 0.00 H ATOM 942 HD22 LEU A 78 20.848 11.010 27.498 1.00 0.00 H ATOM 943 HD23 LEU A 78 19.175 11.620 27.535 1.00 0.00 H ATOM 944 HD11 LEU A 78 19.003 12.403 23.906 1.00 0.00 H ATOM 945 HD12 LEU A 78 18.438 10.879 24.635 1.00 0.00 H ATOM 946 HD13 LEU A 78 18.098 12.431 25.439 1.00 0.00 H ATOM 947 H LEU A 78 22.909 9.918 23.234 1.00 0.00 H ATOM 948 N GLY A 79 23.309 13.133 23.582 1.00 11.39 N ATOM 949 CA GLY A 79 23.901 14.456 23.696 1.00 11.18 C ATOM 950 C GLY A 79 23.575 15.390 22.544 1.00 11.21 C ATOM 951 O GLY A 79 23.626 16.612 22.693 1.00 11.19 O ATOM 952 HA3 GLY A 79 24.984 14.342 23.747 1.00 0.00 H ATOM 953 HA2 GLY A 79 23.541 14.913 24.618 1.00 0.00 H ATOM 954 H GLY A 79 23.925 12.295 23.557 1.00 0.00 H ATOM 955 N GLU A 80 23.244 14.820 21.391 1.00 11.49 N ATOM 956 CA GLU A 80 22.908 15.613 20.213 1.00 10.41 C ATOM 957 C GLU A 80 21.609 16.390 20.402 1.00 10.25 C ATOM 958 O GLU A 80 21.360 17.379 19.713 1.00 10.95 O ATOM 959 CB GLU A 80 22.765 14.708 18.986 1.00 11.05 C ATOM 960 CG GLU A 80 24.059 14.094 18.485 1.00 13.15 C ATOM 961 CD GLU A 80 25.061 15.136 18.027 1.00 14.95 C ATOM 962 OE1 GLU A 80 24.657 16.091 17.332 1.00 17.92 O ATOM 963 OE2 GLU A 80 26.256 14.994 18.354 1.00 16.79 O ATOM 964 HA GLU A 80 23.721 16.324 20.065 1.00 0.00 H ATOM 965 HB2 GLU A 80 22.083 13.897 19.242 1.00 0.00 H ATOM 966 HB3 GLU A 80 22.337 15.300 18.177 1.00 0.00 H ATOM 967 HG2 GLU A 80 24.505 13.512 19.292 1.00 0.00 H ATOM 968 HG3 GLU A 80 23.832 13.436 17.646 1.00 0.00 H ATOM 969 H GLU A 80 23.224 13.782 21.326 1.00 0.00 H ATOM 970 N LEU A 81 20.785 15.943 21.343 1.00 9.92 N ATOM 971 CA LEU A 81 19.498 16.580 21.593 1.00 10.25 C ATOM 972 C LEU A 81 19.520 17.671 22.658 1.00 10.16 C ATOM 973 O LEU A 81 18.516 18.348 22.868 1.00 9.74 O ATOM 974 CB LEU A 81 18.458 15.522 21.975 1.00 10.90 C ATOM 975 CG LEU A 81 18.082 14.476 20.919 1.00 13.72 C ATOM 976 CD1 LEU A 81 19.295 13.634 20.563 1.00 15.28 C ATOM 977 CD2 LEU A 81 16.971 13.590 21.461 1.00 15.24 C ATOM 978 HA LEU A 81 19.235 17.076 20.659 1.00 0.00 H ATOM 979 HB2 LEU A 81 18.843 14.985 22.842 1.00 0.00 H ATOM 980 HB3 LEU A 81 17.544 16.048 22.251 1.00 0.00 H ATOM 981 HG LEU A 81 17.734 14.981 20.018 1.00 0.00 H ATOM 982 HD21 LEU A 81 17.316 13.088 22.365 1.00 0.00 H ATOM 983 HD22 LEU A 81 16.100 14.203 21.694 1.00 0.00 H ATOM 984 HD23 LEU A 81 16.703 12.846 20.711 1.00 0.00 H ATOM 985 HD11 LEU A 81 20.079 14.278 20.166 1.00 0.00 H ATOM 986 HD12 LEU A 81 19.658 13.126 21.457 1.00 0.00 H ATOM 987 HD13 LEU A 81 19.015 12.895 19.812 1.00 0.00 H ATOM 988 H LEU A 81 21.064 15.120 21.914 1.00 0.00 H ATOM 989 N PHE A 82 20.660 17.843 23.320 1.00 11.20 N ATOM 990 CA PHE A 82 20.797 18.851 24.369 1.00 11.62 C ATOM 991 C PHE A 82 21.920 19.844 24.089 1.00 12.06 C ATOM 992 O PHE A 82 22.912 19.508 23.445 1.00 12.42 O ATOM 993 CB PHE A 82 21.080 18.179 25.719 1.00 12.46 C ATOM 994 CG PHE A 82 19.885 17.515 26.339 1.00 13.45 C ATOM 995 CD1 PHE A 82 18.924 18.264 27.000 1.00 14.84 C ATOM 996 CD2 PHE A 82 19.728 16.140 26.272 1.00 13.60 C ATOM 997 CE1 PHE A 82 17.829 17.655 27.584 1.00 15.25 C ATOM 998 CE2 PHE A 82 18.635 15.523 26.853 1.00 13.43 C ATOM 999 CZ PHE A 82 17.685 16.280 27.510 1.00 15.51 C ATOM 1000 HA PHE A 82 19.853 19.395 24.394 1.00 0.00 H ATOM 1001 HB2 PHE A 82 21.852 17.424 25.570 1.00 0.00 H ATOM 1002 HB3 PHE A 82 21.445 18.939 26.409 1.00 0.00 H ATOM 1003 HD2 PHE A 82 20.475 15.537 25.755 1.00 0.00 H ATOM 1004 HE2 PHE A 82 18.524 14.440 26.792 1.00 0.00 H ATOM 1005 HZ PHE A 82 16.823 15.796 27.969 1.00 0.00 H ATOM 1006 HE1 PHE A 82 17.081 18.256 28.101 1.00 0.00 H ATOM 1007 HD1 PHE A 82 19.033 19.347 27.060 1.00 0.00 H ATOM 1008 H PHE A 82 21.477 17.244 23.085 1.00 0.00 H ATOM 1009 N GLY A 83 21.752 21.070 24.574 1.00 12.08 N ATOM 1010 CA GLY A 83 22.785 22.075 24.409 1.00 13.54 C ATOM 1011 C GLY A 83 23.807 21.768 25.486 1.00 12.99 C ATOM 1012 O GLY A 83 24.971 21.481 25.200 1.00 15.10 O ATOM 1013 HA3 GLY A 83 22.373 23.075 24.546 1.00 0.00 H ATOM 1014 HA2 GLY A 83 23.237 22.002 23.420 1.00 0.00 H ATOM 1015 H GLY A 83 20.873 21.311 25.076 1.00 0.00 H ATOM 1016 N VAL A 84 23.356 21.826 26.734 1.00 12.77 N ATOM 1017 CA VAL A 84 24.195 21.513 27.885 1.00 12.00 C ATOM 1018 C VAL A 84 24.212 19.987 27.963 1.00 11.22 C ATOM 1019 O VAL A 84 23.160 19.353 28.036 1.00 10.97 O ATOM 1020 CB VAL A 84 23.598 22.100 29.181 1.00 12.98 C ATOM 1021 CG1 VAL A 84 24.318 21.539 30.393 1.00 13.89 C ATOM 1022 CG2 VAL A 84 23.703 23.617 29.153 1.00 13.38 C ATOM 1023 HA VAL A 84 25.194 21.937 27.778 1.00 0.00 H ATOM 1024 HB VAL A 84 22.547 21.821 29.248 1.00 0.00 H ATOM 1025 HG11 VAL A 84 24.209 20.455 30.409 1.00 0.00 H ATOM 1026 HG12 VAL A 84 25.375 21.798 30.338 1.00 0.00 H ATOM 1027 HG13 VAL A 84 23.885 21.963 31.299 1.00 0.00 H ATOM 1028 HG21 VAL A 84 24.751 23.906 29.074 1.00 0.00 H ATOM 1029 HG22 VAL A 84 23.153 24.002 28.294 1.00 0.00 H ATOM 1030 HG23 VAL A 84 23.280 24.026 30.070 1.00 0.00 H ATOM 1031 H VAL A 84 22.367 22.105 26.896 1.00 0.00 H ATOM 1032 N GLN A 85 25.407 19.405 27.943 1.00 11.35 N ATOM 1033 CA GLN A 85 25.565 17.954 27.952 1.00 11.63 C ATOM 1034 C GLN A 85 25.164 17.187 29.208 1.00 11.08 C ATOM 1035 O GLN A 85 25.172 15.958 29.209 1.00 11.30 O ATOM 1036 CB GLN A 85 27.001 17.604 27.563 1.00 12.83 C ATOM 1037 CG GLN A 85 27.345 18.076 26.163 1.00 12.89 C ATOM 1038 CD GLN A 85 26.435 17.464 25.116 1.00 13.57 C ATOM 1039 OE1 GLN A 85 26.627 16.321 24.703 1.00 13.56 O ATOM 1040 NE2 GLN A 85 25.425 18.217 24.693 1.00 12.81 N ATOM 1041 HA GLN A 85 24.829 17.614 27.223 1.00 0.00 H ATOM 1042 HB2 GLN A 85 27.682 18.077 28.271 1.00 0.00 H ATOM 1043 HB3 GLN A 85 27.124 16.522 27.609 1.00 0.00 H ATOM 1044 HG2 GLN A 85 27.247 19.161 26.123 1.00 0.00 H ATOM 1045 HG3 GLN A 85 28.375 17.797 25.941 1.00 0.00 H ATOM 1046 HE22 GLN A 85 25.300 19.178 25.069 1.00 0.00 H ATOM 1047 HE21 GLN A 85 24.760 17.845 23.986 1.00 0.00 H ATOM 1048 H GLN A 85 26.257 20.003 27.920 1.00 0.00 H ATOM 1049 N GLU A 86 24.825 17.895 30.277 1.00 10.52 N ATOM 1050 CA GLU A 86 24.396 17.224 31.500 1.00 11.18 C ATOM 1051 C GLU A 86 23.070 17.803 31.949 1.00 11.27 C ATOM 1052 O GLU A 86 22.904 19.023 31.987 1.00 10.36 O ATOM 1053 CB GLU A 86 25.411 17.411 32.635 1.00 11.11 C ATOM 1054 CG GLU A 86 26.779 16.810 32.388 1.00 13.48 C ATOM 1055 CD GLU A 86 27.575 17.597 31.374 1.00 11.93 C ATOM 1056 OE1 GLU A 86 27.694 18.828 31.545 1.00 15.83 O ATOM 1057 OE2 GLU A 86 28.081 16.991 30.410 1.00 16.00 O ATOM 1058 HA GLU A 86 24.307 16.160 31.281 1.00 0.00 H ATOM 1059 HB2 GLU A 86 25.538 18.481 32.800 1.00 0.00 H ATOM 1060 HB3 GLU A 86 24.999 16.952 33.534 1.00 0.00 H ATOM 1061 HG2 GLU A 86 27.329 16.792 33.329 1.00 0.00 H ATOM 1062 HG3 GLU A 86 26.654 15.791 32.022 1.00 0.00 H ATOM 1063 H GLU A 86 24.865 18.934 30.244 1.00 0.00 H ATOM 1064 N PHE A 87 22.113 16.939 32.274 1.00 10.72 N ATOM 1065 CA PHE A 87 20.838 17.442 32.756 1.00 11.92 C ATOM 1066 C PHE A 87 20.423 16.560 33.922 1.00 12.15 C ATOM 1067 O PHE A 87 20.892 15.425 34.053 1.00 14.09 O ATOM 1068 CB PHE A 87 19.773 17.434 31.640 1.00 12.02 C ATOM 1069 CG PHE A 87 19.288 16.064 31.245 1.00 11.77 C ATOM 1070 CD1 PHE A 87 18.246 15.455 31.931 1.00 10.95 C ATOM 1071 CD2 PHE A 87 19.860 15.393 30.175 1.00 10.80 C ATOM 1072 CE1 PHE A 87 17.781 14.205 31.556 1.00 12.57 C ATOM 1073 CE2 PHE A 87 19.399 14.139 29.794 1.00 9.41 C ATOM 1074 CZ PHE A 87 18.358 13.546 30.486 1.00 9.36 C ATOM 1075 HA PHE A 87 20.934 18.479 33.077 1.00 0.00 H ATOM 1076 HB2 PHE A 87 18.915 18.012 31.984 1.00 0.00 H ATOM 1077 HB3 PHE A 87 20.201 17.911 30.758 1.00 0.00 H ATOM 1078 HD2 PHE A 87 20.681 15.855 29.626 1.00 0.00 H ATOM 1079 HE2 PHE A 87 19.857 13.623 28.950 1.00 0.00 H ATOM 1080 HZ PHE A 87 17.994 12.563 30.189 1.00 0.00 H ATOM 1081 HE1 PHE A 87 16.961 13.741 32.104 1.00 0.00 H ATOM 1082 HD1 PHE A 87 17.787 15.968 32.777 1.00 0.00 H ATOM 1083 H PHE A 87 22.275 15.916 32.184 1.00 0.00 H ATOM 1084 N SER A 88 19.575 17.096 34.788 1.00 10.89 N ATOM 1085 CA SER A 88 19.095 16.353 35.939 1.00 11.62 C ATOM 1086 C SER A 88 17.689 15.847 35.661 1.00 10.06 C ATOM 1087 O SER A 88 16.902 16.524 34.997 1.00 11.10 O ATOM 1088 CB SER A 88 19.085 17.255 37.175 1.00 13.08 C ATOM 1089 OG SER A 88 18.400 16.638 38.248 1.00 13.74 O ATOM 1090 HA SER A 88 19.757 15.507 36.124 1.00 0.00 H ATOM 1091 HB2 SER A 88 18.589 18.193 36.928 1.00 0.00 H ATOM 1092 HB3 SER A 88 20.113 17.457 37.477 1.00 0.00 H ATOM 1093 HG SER A 88 18.850 15.787 38.479 1.00 0.00 H ATOM 1094 H SER A 88 19.246 18.071 34.640 1.00 0.00 H ATOM 1095 N VAL A 89 17.364 14.660 36.163 1.00 11.73 N ATOM 1096 CA VAL A 89 16.027 14.124 35.948 1.00 10.52 C ATOM 1097 C VAL A 89 15.002 14.966 36.714 1.00 10.86 C ATOM 1098 O VAL A 89 13.799 14.798 36.535 1.00 12.30 O ATOM 1099 CB VAL A 89 15.913 12.637 36.388 1.00 10.21 C ATOM 1100 CG1 VAL A 89 16.875 11.774 35.569 1.00 11.26 C ATOM 1101 CG2 VAL A 89 16.187 12.499 37.875 1.00 10.50 C ATOM 1102 HA VAL A 89 15.825 14.168 34.878 1.00 0.00 H ATOM 1103 HB VAL A 89 14.897 12.290 36.202 1.00 0.00 H ATOM 1104 HG11 VAL A 89 16.624 11.856 34.511 1.00 0.00 H ATOM 1105 HG12 VAL A 89 17.897 12.119 35.729 1.00 0.00 H ATOM 1106 HG13 VAL A 89 16.787 10.734 35.885 1.00 0.00 H ATOM 1107 HG21 VAL A 89 17.193 12.857 38.092 1.00 0.00 H ATOM 1108 HG22 VAL A 89 15.461 13.090 38.433 1.00 0.00 H ATOM 1109 HG23 VAL A 89 16.102 11.451 38.163 1.00 0.00 H ATOM 1110 H VAL A 89 18.063 14.115 36.708 1.00 0.00 H ATOM 1111 N LYS A 90 15.483 15.878 37.559 1.00 9.98 N ATOM 1112 CA LYS A 90 14.605 16.758 38.335 1.00 10.08 C ATOM 1113 C LYS A 90 14.156 17.963 37.508 1.00 10.92 C ATOM 1114 O LYS A 90 13.208 18.659 37.874 1.00 11.35 O ATOM 1115 CB LYS A 90 15.323 17.291 39.584 1.00 11.19 C ATOM 1116 CG LYS A 90 15.741 16.252 40.608 1.00 14.17 C ATOM 1117 CD LYS A 90 16.507 16.917 41.750 1.00 16.04 C ATOM 1118 CE LYS A 90 16.899 15.914 42.823 1.00 19.27 C ATOM 1119 NZ LYS A 90 15.702 15.263 43.419 1.00 21.55 N ATOM 1120 HA LYS A 90 13.740 16.160 38.623 1.00 0.00 H ATOM 1121 HB2 LYS A 90 16.221 17.814 39.255 1.00 0.00 H ATOM 1122 HB3 LYS A 90 14.654 17.996 40.078 1.00 0.00 H ATOM 1123 HG2 LYS A 90 14.853 15.761 41.007 1.00 0.00 H ATOM 1124 HG3 LYS A 90 16.380 15.510 40.129 1.00 0.00 H ATOM 1125 HD2 LYS A 90 17.410 17.377 41.349 1.00 0.00 H ATOM 1126 HD3 LYS A 90 15.877 17.686 42.198 1.00 0.00 H ATOM 1127 HE2 LYS A 90 17.450 16.431 43.608 1.00 0.00 H ATOM 1128 HE3 LYS A 90 17.535 15.149 42.378 1.00 0.00 H ATOM 1129 HZ1 LYS A 90 15.093 15.988 43.850 1.00 0.00 H ATOM 1130 HZ2 LYS A 90 15.174 14.763 42.675 1.00 0.00 H ATOM 1131 HZ3 LYS A 90 16.004 14.585 44.147 1.00 0.00 H ATOM 1132 H LYS A 90 16.513 15.968 37.671 1.00 0.00 H ATOM 1133 N GLU A 91 14.854 18.217 36.404 1.00 11.64 N ATOM 1134 CA GLU A 91 14.551 19.353 35.532 1.00 10.49 C ATOM 1135 C GLU A 91 13.473 19.000 34.519 1.00 11.39 C ATOM 1136 O GLU A 91 13.739 18.944 33.319 1.00 11.82 O ATOM 1137 CB GLU A 91 15.818 19.784 34.791 1.00 11.99 C ATOM 1138 CG GLU A 91 16.902 20.355 35.682 1.00 14.01 C ATOM 1139 CD GLU A 91 18.151 20.702 34.901 1.00 16.03 C ATOM 1140 OE1 GLU A 91 18.940 19.785 34.604 1.00 17.04 O ATOM 1141 OE2 GLU A 91 18.335 21.890 34.564 1.00 17.01 O ATOM 1142 HA GLU A 91 14.184 20.169 36.155 1.00 0.00 H ATOM 1143 HB2 GLU A 91 16.224 18.914 34.275 1.00 0.00 H ATOM 1144 HB3 GLU A 91 15.543 20.543 34.059 1.00 0.00 H ATOM 1145 HG2 GLU A 91 16.524 21.258 36.162 1.00 0.00 H ATOM 1146 HG3 GLU A 91 17.156 19.618 36.444 1.00 0.00 H ATOM 1147 H GLU A 91 15.642 17.587 36.152 1.00 0.00 H ATOM 1148 N HIS A 92 12.253 18.788 34.999 1.00 10.81 N ATOM 1149 CA HIS A 92 11.157 18.396 34.121 1.00 10.57 C ATOM 1150 C HIS A 92 10.797 19.380 33.014 1.00 10.45 C ATOM 1151 O HIS A 92 10.503 18.962 31.896 1.00 10.51 O ATOM 1152 CB HIS A 92 9.916 18.053 34.950 1.00 11.85 C ATOM 1153 CG HIS A 92 10.067 16.802 35.761 1.00 11.71 C ATOM 1154 ND1 HIS A 92 8.991 16.050 36.181 1.00 13.27 N ATOM 1155 CD2 HIS A 92 11.171 16.168 36.223 1.00 13.21 C ATOM 1156 CE1 HIS A 92 9.426 15.005 36.863 1.00 13.40 C ATOM 1157 NE2 HIS A 92 10.745 15.054 36.903 1.00 14.08 N ATOM 1158 HA HIS A 92 11.531 17.520 33.591 1.00 0.00 H ATOM 1159 HB2 HIS A 92 9.714 18.882 35.628 1.00 0.00 H ATOM 1160 HB3 HIS A 92 9.072 17.925 34.272 1.00 0.00 H ATOM 1161 HD2 HIS A 92 12.205 16.483 36.081 1.00 0.00 H ATOM 1162 HE1 HIS A 92 8.802 14.234 37.315 1.00 0.00 H ATOM 1163 H HIS A 92 12.077 18.903 36.017 1.00 0.00 H ATOM 1164 N ARG A 93 10.816 20.677 33.297 1.00 10.52 N ATOM 1165 CA ARG A 93 10.484 21.637 32.252 1.00 11.02 C ATOM 1166 C ARG A 93 11.553 21.611 31.161 1.00 12.07 C ATOM 1167 O ARG A 93 11.241 21.680 29.970 1.00 11.66 O ATOM 1168 CB ARG A 93 10.333 23.051 32.835 1.00 12.89 C ATOM 1169 CG ARG A 93 9.291 23.132 33.947 1.00 12.46 C ATOM 1170 CD ARG A 93 8.749 24.541 34.173 1.00 15.82 C ATOM 1171 NE ARG A 93 7.956 25.001 33.037 1.00 17.57 N ATOM 1172 CZ ARG A 93 6.973 25.895 33.114 1.00 17.06 C ATOM 1173 NH1 ARG A 93 6.643 26.440 34.281 1.00 15.34 N ATOM 1174 NH2 ARG A 93 6.314 26.241 32.018 1.00 15.92 N ATOM 1175 HA ARG A 93 9.528 21.355 31.811 1.00 0.00 H ATOM 1176 HB2 ARG A 93 11.296 23.365 33.238 1.00 0.00 H ATOM 1177 HB3 ARG A 93 10.038 23.728 32.033 1.00 0.00 H ATOM 1178 HG2 ARG A 93 8.458 22.479 33.687 1.00 0.00 H ATOM 1179 HG3 ARG A 93 9.748 22.785 34.874 1.00 0.00 H ATOM 1180 HD2 ARG A 93 9.586 25.223 34.319 1.00 0.00 H ATOM 1181 HD3 ARG A 93 8.122 24.540 35.065 1.00 0.00 H ATOM 1182 HE ARG A 93 8.175 24.602 32.102 1.00 0.00 H ATOM 1183 HH12 ARG A 93 5.873 27.138 34.330 1.00 0.00 H ATOM 1184 HH11 ARG A 93 7.155 26.169 35.145 1.00 0.00 H ATOM 1185 HH22 ARG A 93 5.545 26.939 32.072 1.00 0.00 H ATOM 1186 HH21 ARG A 93 6.566 25.815 31.103 1.00 0.00 H ATOM 1187 H ARG A 93 11.065 21.004 34.252 1.00 0.00 H ATOM 1188 N ARG A 94 12.815 21.495 31.564 1.00 12.22 N ATOM 1189 CA ARG A 94 13.908 21.452 30.599 1.00 12.01 C ATOM 1190 C ARG A 94 13.822 20.195 29.734 1.00 11.27 C ATOM 1191 O ARG A 94 14.029 20.247 28.516 1.00 9.72 O ATOM 1192 CB ARG A 94 15.251 21.491 31.329 1.00 13.52 C ATOM 1193 CG ARG A 94 16.450 21.502 30.402 1.00 15.09 C ATOM 1194 CD ARG A 94 17.747 21.502 31.191 1.00 16.81 C ATOM 1195 NE ARG A 94 18.891 21.228 30.331 1.00 18.01 N ATOM 1196 CZ ARG A 94 20.109 20.940 30.778 1.00 19.20 C ATOM 1197 NH1 ARG A 94 21.086 20.699 29.918 1.00 18.25 N ATOM 1198 NH2 ARG A 94 20.349 20.891 32.080 1.00 20.06 N ATOM 1199 HA ARG A 94 13.825 22.323 29.949 1.00 0.00 H ATOM 1200 HB2 ARG A 94 15.283 22.391 31.943 1.00 0.00 H ATOM 1201 HB3 ARG A 94 15.320 20.612 31.970 1.00 0.00 H ATOM 1202 HG2 ARG A 94 16.418 20.616 29.767 1.00 0.00 H ATOM 1203 HG3 ARG A 94 16.411 22.396 29.779 1.00 0.00 H ATOM 1204 HD2 ARG A 94 17.692 20.736 31.964 1.00 0.00 H ATOM 1205 HD3 ARG A 94 17.879 22.478 31.657 1.00 0.00 H ATOM 1206 HE ARG A 94 18.745 21.260 29.302 1.00 0.00 H ATOM 1207 HH12 ARG A 94 22.040 20.473 30.265 1.00 0.00 H ATOM 1208 HH11 ARG A 94 20.899 20.735 28.896 1.00 0.00 H ATOM 1209 HH22 ARG A 94 21.304 20.665 32.425 1.00 0.00 H ATOM 1210 HH21 ARG A 94 19.582 21.078 32.757 1.00 0.00 H ATOM 1211 H ARG A 94 13.025 21.434 32.581 1.00 0.00 H ATOM 1212 N ILE A 95 13.512 19.068 30.366 1.00 9.63 N ATOM 1213 CA ILE A 95 13.393 17.805 29.646 1.00 10.20 C ATOM 1214 C ILE A 95 12.218 17.845 28.671 1.00 11.64 C ATOM 1215 O ILE A 95 12.315 17.341 27.553 1.00 10.08 O ATOM 1216 CB ILE A 95 13.233 16.630 30.629 1.00 10.08 C ATOM 1217 CG1 ILE A 95 14.526 16.475 31.443 1.00 9.14 C ATOM 1218 CG2 ILE A 95 12.914 15.348 29.867 1.00 10.15 C ATOM 1219 CD1 ILE A 95 14.441 15.460 32.579 1.00 10.48 C ATOM 1220 HA ILE A 95 14.309 17.655 29.075 1.00 0.00 H ATOM 1221 HB ILE A 95 12.407 16.830 31.311 1.00 0.00 H ATOM 1222 HG12 ILE A 95 15.320 16.162 30.765 1.00 0.00 H ATOM 1223 HG13 ILE A 95 14.777 17.445 31.871 1.00 0.00 H ATOM 1224 HD11 ILE A 95 13.661 15.763 33.277 1.00 0.00 H ATOM 1225 HD12 ILE A 95 14.204 14.478 32.170 1.00 0.00 H ATOM 1226 HD13 ILE A 95 15.398 15.417 33.098 1.00 0.00 H ATOM 1227 HG21 ILE A 95 11.986 15.479 29.311 1.00 0.00 H ATOM 1228 HG22 ILE A 95 13.726 15.127 29.174 1.00 0.00 H ATOM 1229 HG23 ILE A 95 12.803 14.525 30.573 1.00 0.00 H ATOM 1230 H ILE A 95 13.351 19.087 31.393 1.00 0.00 H ATOM 1231 N TYR A 96 11.108 18.444 29.089 1.00 10.65 N ATOM 1232 CA TYR A 96 9.955 18.557 28.206 1.00 9.98 C ATOM 1233 C TYR A 96 10.317 19.436 27.012 1.00 11.67 C ATOM 1234 O TYR A 96 9.873 19.192 25.892 1.00 12.96 O ATOM 1235 CB TYR A 96 8.759 19.165 28.947 1.00 10.95 C ATOM 1236 CG TYR A 96 7.758 18.146 29.436 1.00 10.20 C ATOM 1237 CD1 TYR A 96 8.014 17.373 30.562 1.00 10.18 C ATOM 1238 CD2 TYR A 96 6.561 17.944 28.758 1.00 12.34 C ATOM 1239 CE1 TYR A 96 7.105 16.426 31.000 1.00 12.43 C ATOM 1240 CE2 TYR A 96 5.646 16.998 29.188 1.00 10.72 C ATOM 1241 CZ TYR A 96 5.924 16.244 30.307 1.00 12.51 C ATOM 1242 OH TYR A 96 5.018 15.302 30.733 1.00 14.86 O ATOM 1243 HA TYR A 96 9.678 17.560 27.864 1.00 0.00 H ATOM 1244 HB3 TYR A 96 8.248 19.850 28.270 1.00 0.00 H ATOM 1245 HB2 TYR A 96 9.134 19.718 29.808 1.00 0.00 H ATOM 1246 HD2 TYR A 96 6.339 18.540 27.873 1.00 0.00 H ATOM 1247 HE2 TYR A 96 4.712 16.851 28.645 1.00 0.00 H ATOM 1248 HE1 TYR A 96 7.319 15.828 31.886 1.00 0.00 H ATOM 1249 HD1 TYR A 96 8.946 17.515 31.109 1.00 0.00 H ATOM 1250 HH TYR A 96 5.367 14.852 31.543 1.00 0.00 H ATOM 1251 H TYR A 96 11.062 18.834 30.052 1.00 0.00 H ATOM 1252 N ALA A 97 11.130 20.460 27.252 1.00 10.96 N ATOM 1253 CA ALA A 97 11.541 21.357 26.177 1.00 10.82 C ATOM 1254 C ALA A 97 12.360 20.592 25.138 1.00 11.67 C ATOM 1255 O ALA A 97 12.152 20.755 23.931 1.00 11.44 O ATOM 1256 CB ALA A 97 12.351 22.518 26.741 1.00 10.54 C ATOM 1257 HA ALA A 97 10.650 21.758 25.693 1.00 0.00 H ATOM 1258 HB1 ALA A 97 11.741 23.072 27.455 1.00 0.00 H ATOM 1259 HB2 ALA A 97 13.238 22.131 27.242 1.00 0.00 H ATOM 1260 HB3 ALA A 97 12.651 23.179 25.928 1.00 0.00 H ATOM 1261 H ALA A 97 11.478 20.624 28.218 1.00 0.00 H ATOM 1262 N MET A 98 13.280 19.751 25.605 1.00 10.78 N ATOM 1263 CA MET A 98 14.115 18.964 24.697 1.00 12.86 C ATOM 1264 C MET A 98 13.268 18.038 23.844 1.00 13.84 C ATOM 1265 O MET A 98 13.474 17.929 22.636 1.00 14.55 O ATOM 1266 CB MET A 98 15.133 18.125 25.476 1.00 13.13 C ATOM 1267 CG MET A 98 15.960 17.157 24.605 1.00 17.26 C ATOM 1268 SD MET A 98 15.133 15.623 24.038 1.00 19.54 S ATOM 1269 CE MET A 98 15.439 14.531 25.453 1.00 17.35 C ATOM 1270 HA MET A 98 14.642 19.668 24.053 1.00 0.00 H ATOM 1271 HB2 MET A 98 15.821 18.804 25.979 1.00 0.00 H ATOM 1272 HB3 MET A 98 14.594 17.539 26.220 1.00 0.00 H ATOM 1273 HG2 MET A 98 16.836 16.863 25.183 1.00 0.00 H ATOM 1274 HG3 MET A 98 16.279 17.705 23.718 1.00 0.00 H ATOM 1275 HE1 MET A 98 16.513 14.420 25.599 1.00 0.00 H ATOM 1276 HE2 MET A 98 14.992 14.964 26.348 1.00 0.00 H ATOM 1277 HE3 MET A 98 14.995 13.555 25.259 1.00 0.00 H ATOM 1278 H MET A 98 13.407 19.652 26.632 1.00 0.00 H ATOM 1279 N ILE A 99 12.317 17.361 24.473 1.00 13.29 N ATOM 1280 CA ILE A 99 11.463 16.444 23.737 1.00 14.19 C ATOM 1281 C ILE A 99 10.647 17.175 22.680 1.00 13.65 C ATOM 1282 O ILE A 99 10.522 16.700 21.550 1.00 14.15 O ATOM 1283 CB ILE A 99 10.518 15.688 24.684 1.00 14.24 C ATOM 1284 CG1 ILE A 99 11.344 14.793 25.608 1.00 17.04 C ATOM 1285 CG2 ILE A 99 9.520 14.861 23.882 1.00 14.83 C ATOM 1286 CD1 ILE A 99 10.539 14.108 26.673 1.00 20.34 C ATOM 1287 HA ILE A 99 12.116 15.726 23.240 1.00 0.00 H ATOM 1288 HB ILE A 99 9.957 16.401 25.287 1.00 0.00 H ATOM 1289 HG12 ILE A 99 11.831 14.029 25.001 1.00 0.00 H ATOM 1290 HG13 ILE A 99 12.102 15.408 26.093 1.00 0.00 H ATOM 1291 HD11 ILE A 99 10.054 14.857 27.299 1.00 0.00 H ATOM 1292 HD12 ILE A 99 9.782 13.478 26.206 1.00 0.00 H ATOM 1293 HD13 ILE A 99 11.198 13.493 27.286 1.00 0.00 H ATOM 1294 HG21 ILE A 99 8.933 15.521 23.243 1.00 0.00 H ATOM 1295 HG22 ILE A 99 10.059 14.142 23.265 1.00 0.00 H ATOM 1296 HG23 ILE A 99 8.857 14.331 24.566 1.00 0.00 H ATOM 1297 H ILE A 99 12.182 17.487 25.496 1.00 0.00 H ATOM 1298 N SER A 100 10.109 18.335 23.041 1.00 13.05 N ATOM 1299 CA SER A 100 9.306 19.121 22.110 1.00 13.97 C ATOM 1300 C SER A 100 10.052 19.476 20.833 1.00 13.93 C ATOM 1301 O SER A 100 9.445 19.571 19.762 1.00 13.05 O ATOM 1302 CB SER A 100 8.812 20.400 22.787 1.00 17.47 C ATOM 1303 OG SER A 100 7.742 20.114 23.668 1.00 23.66 O ATOM 1304 HA SER A 100 8.460 18.495 21.826 1.00 0.00 H ATOM 1305 HB2 SER A 100 8.472 21.101 22.025 1.00 0.00 H ATOM 1306 HB3 SER A 100 9.631 20.847 23.350 1.00 0.00 H ATOM 1307 HG SER A 100 8.049 19.480 24.363 1.00 0.00 H ATOM 1308 H SER A 100 10.263 18.690 24.006 1.00 0.00 H ATOM 1309 N ARG A 101 11.365 19.668 20.939 1.00 12.89 N ATOM 1310 CA ARG A 101 12.173 19.999 19.771 1.00 12.92 C ATOM 1311 C ARG A 101 12.344 18.759 18.902 1.00 12.53 C ATOM 1312 O ARG A 101 12.792 18.845 17.757 1.00 14.34 O ATOM 1313 CB ARG A 101 13.559 20.507 20.190 1.00 14.12 C ATOM 1314 CG ARG A 101 13.556 21.752 21.064 1.00 16.28 C ATOM 1315 CD ARG A 101 14.966 22.322 21.209 1.00 18.72 C ATOM 1316 NE ARG A 101 15.880 21.429 21.923 1.00 19.45 N ATOM 1317 CZ ARG A 101 16.118 21.484 23.231 1.00 20.39 C ATOM 1318 NH1 ARG A 101 15.508 22.392 23.986 1.00 17.56 N ATOM 1319 NH2 ARG A 101 16.977 20.636 23.787 1.00 17.20 N ATOM 1320 HA ARG A 101 11.662 20.784 19.214 1.00 0.00 H ATOM 1321 HB2 ARG A 101 14.058 19.710 20.740 1.00 0.00 H ATOM 1322 HB3 ARG A 101 14.124 20.731 19.285 1.00 0.00 H ATOM 1323 HG2 ARG A 101 12.912 22.505 20.610 1.00 0.00 H ATOM 1324 HG3 ARG A 101 13.172 21.494 22.051 1.00 0.00 H ATOM 1325 HD2 ARG A 101 14.905 23.263 21.755 1.00 0.00 H ATOM 1326 HD3 ARG A 101 15.369 22.506 20.213 1.00 0.00 H ATOM 1327 HE ARG A 101 16.377 20.702 21.370 1.00 0.00 H ATOM 1328 HH12 ARG A 101 15.697 22.431 25.008 1.00 0.00 H ATOM 1329 HH11 ARG A 101 14.841 23.064 23.555 1.00 0.00 H ATOM 1330 HH22 ARG A 101 17.163 20.679 24.809 1.00 0.00 H ATOM 1331 HH21 ARG A 101 17.464 19.929 23.200 1.00 0.00 H ATOM 1332 H ARG A 101 11.822 19.581 21.869 1.00 0.00 H ATOM 1333 N ASN A 102 11.978 17.606 19.454 1.00 11.27 N ATOM 1334 CA ASN A 102 12.116 16.345 18.744 1.00 10.23 C ATOM 1335 C ASN A 102 10.806 15.611 18.509 1.00 10.44 C ATOM 1336 O ASN A 102 10.735 14.385 18.584 1.00 10.62 O ATOM 1337 CB ASN A 102 13.112 15.465 19.493 1.00 9.90 C ATOM 1338 CG ASN A 102 14.510 16.040 19.455 1.00 12.04 C ATOM 1339 OD1 ASN A 102 15.192 15.961 18.434 1.00 12.78 O ATOM 1340 ND2 ASN A 102 14.935 16.651 20.556 1.00 12.57 N ATOM 1341 HA ASN A 102 12.484 16.578 17.745 1.00 0.00 H ATOM 1342 HB2 ASN A 102 12.794 15.378 20.532 1.00 0.00 H ATOM 1343 HB3 ASN A 102 13.124 14.476 19.034 1.00 0.00 H ATOM 1344 HD22 ASN A 102 14.324 16.693 21.396 1.00 0.00 H ATOM 1345 HD21 ASN A 102 15.879 17.087 20.577 1.00 0.00 H ATOM 1346 H ASN A 102 11.584 17.606 20.416 1.00 0.00 H ATOM 1347 N LEU A 103 9.764 16.381 18.224 1.00 11.37 N ATOM 1348 CA LEU A 103 8.453 15.819 17.931 1.00 11.29 C ATOM 1349 C LEU A 103 8.019 16.380 16.589 1.00 13.65 C ATOM 1350 O LEU A 103 8.326 17.528 16.265 1.00 14.09 O ATOM 1351 CB LEU A 103 7.427 16.220 18.997 1.00 11.61 C ATOM 1352 CG LEU A 103 7.640 15.727 20.429 1.00 12.44 C ATOM 1353 CD1 LEU A 103 6.495 16.234 21.306 1.00 13.96 C ATOM 1354 CD2 LEU A 103 7.697 14.206 20.455 1.00 13.58 C ATOM 1355 HA LEU A 103 8.512 14.731 17.918 1.00 0.00 H ATOM 1356 HB2 LEU A 103 7.404 17.309 19.030 1.00 0.00 H ATOM 1357 HB3 LEU A 103 6.457 15.848 18.668 1.00 0.00 H ATOM 1358 HG LEU A 103 8.585 16.111 20.813 1.00 0.00 H ATOM 1359 HD21 LEU A 103 6.760 13.802 20.072 1.00 0.00 H ATOM 1360 HD22 LEU A 103 8.523 13.864 19.831 1.00 0.00 H ATOM 1361 HD23 LEU A 103 7.849 13.867 21.480 1.00 0.00 H ATOM 1362 HD11 LEU A 103 6.482 17.324 21.290 1.00 0.00 H ATOM 1363 HD12 LEU A 103 5.549 15.852 20.922 1.00 0.00 H ATOM 1364 HD13 LEU A 103 6.641 15.886 22.329 1.00 0.00 H ATOM 1365 H LEU A 103 9.887 17.414 18.209 1.00 0.00 H ATOM 1366 N VAL A 104 7.322 15.567 15.800 1.00 14.40 N ATOM 1367 CA VAL A 104 6.833 16.012 14.504 1.00 16.61 C ATOM 1368 C VAL A 104 5.712 17.014 14.758 1.00 21.42 C ATOM 1369 O VAL A 104 4.713 16.689 15.402 1.00 21.06 O ATOM 1370 CB VAL A 104 6.280 14.830 13.675 1.00 16.73 C ATOM 1371 CG1 VAL A 104 5.662 15.344 12.379 1.00 17.63 C ATOM 1372 CG2 VAL A 104 7.397 13.839 13.378 1.00 14.88 C ATOM 1373 HA VAL A 104 7.652 16.459 13.940 1.00 0.00 H ATOM 1374 HB VAL A 104 5.506 14.321 14.249 1.00 0.00 H ATOM 1375 HG11 VAL A 104 4.848 16.030 12.613 1.00 0.00 H ATOM 1376 HG12 VAL A 104 6.422 15.866 11.797 1.00 0.00 H ATOM 1377 HG13 VAL A 104 5.276 14.503 11.803 1.00 0.00 H ATOM 1378 HG21 VAL A 104 8.184 14.339 12.813 1.00 0.00 H ATOM 1379 HG22 VAL A 104 7.805 13.462 14.316 1.00 0.00 H ATOM 1380 HG23 VAL A 104 6.999 13.009 12.794 1.00 0.00 H ATOM 1381 H VAL A 104 7.123 14.596 16.115 1.00 0.00 H ATOM 1382 N SER A 105 5.888 18.234 14.262 1.00 24.15 N ATOM 1383 CA SER A 105 4.895 19.284 14.447 1.00 29.58 C ATOM 1384 C SER A 105 3.846 19.259 13.344 1.00 31.09 C ATOM 1385 O SER A 105 2.646 19.222 13.682 1.00 33.62 O ATOM 1386 CB SER A 105 5.577 20.653 14.480 1.00 30.85 C ATOM 1387 OG SER A 105 6.468 20.748 15.577 1.00 35.83 O ATOM 1388 HA SER A 105 4.393 19.103 15.398 1.00 0.00 H ATOM 1389 OXT SER A 105 4.240 19.285 12.160 1.00 33.14 O ATOM 1390 HB2 SER A 105 4.817 21.429 14.569 1.00 0.00 H ATOM 1391 HB3 SER A 105 6.134 20.797 13.554 1.00 0.00 H ATOM 1392 HG SER A 105 5.966 20.622 16.421 1.00 0.00 H ATOM 1393 H SER A 105 6.756 18.445 13.729 1.00 0.00 H TER 1394 SER A 105 HETATM 1395 O HOH 1 0.835 13.511 25.675 1.00 14.94 O HETATM 1396 O HOH 2 1.404 12.303 29.283 1.00 26.04 O HETATM 1397 O HOH 3 -0.279 5.131 20.134 1.00 36.18 O HETATM 1398 O HOH 4 2.165 13.884 14.943 1.00 18.95 O HETATM 1399 O HOH 5 4.099 15.058 17.667 1.00 12.73 O HETATM 1400 O HOH 6 7.531 8.554 15.438 1.00 13.32 O HETATM 1401 O HOH 7 10.146 9.633 13.217 1.00 17.95 O HETATM 1402 O HOH 8 6.995 8.624 12.910 1.00 24.72 O HETATM 1403 O HOH 9 13.887 6.272 13.781 1.00 19.35 O HETATM 1404 O HOH 10 13.215 4.069 15.042 1.00 20.78 O HETATM 1405 O HOH 11 15.020 13.376 17.133 1.00 12.65 O HETATM 1406 O HOH 12 16.563 1.698 17.749 1.00 20.48 O HETATM 1407 O HOH 13 11.026 0.682 27.530 1.00 15.03 O HETATM 1408 O HOH 14 -1.010 12.907 28.307 1.00 40.30 O HETATM 1409 O HOH 15 9.128 -1.327 27.880 1.00 25.83 O HETATM 1410 O HOH 16 11.857 4.663 33.069 1.00 10.26 O HETATM 1411 O HOH 17 18.659 4.725 43.127 1.00 33.52 O HETATM 1412 O HOH 18 6.949 6.992 34.290 1.00 28.24 O HETATM 1413 O HOH 19 7.159 9.007 32.577 1.00 14.91 O HETATM 1414 O HOH 20 5.946 11.140 33.688 1.00 26.41 O HETATM 1415 O HOH 21 5.446 0.600 23.159 1.00 24.91 O HETATM 1416 O HOH 22 4.796 2.480 24.894 1.00 27.67 O HETATM 1417 O HOH 23 0.156 7.513 29.257 1.00 19.70 O HETATM 1418 O HOH 24 22.181 5.050 20.951 1.00 31.14 O HETATM 1419 O HOH 25 16.105 -0.876 18.595 1.00 33.61 O HETATM 1420 O HOH 26 27.611 1.654 34.245 1.00 34.83 O HETATM 1421 O HOH 27 26.430 3.348 27.165 1.00 21.87 O HETATM 1422 O HOH 28 26.862 5.633 25.735 1.00 16.30 O HETATM 1423 O HOH 29 28.372 6.345 27.974 1.00 30.11 O HETATM 1424 O HOH 30 27.355 9.983 28.002 1.00 13.21 O HETATM 1425 O HOH 31 31.264 7.457 23.719 1.00 32.85 O HETATM 1426 O HOH 32 26.556 5.099 36.509 1.00 30.04 O HETATM 1427 O HOH 33 17.506 1.463 40.310 1.00 25.70 O HETATM 1428 O HOH 34 30.868 10.652 37.915 1.00 13.70 O HETATM 1429 O HOH 35 32.286 7.543 40.397 1.00 39.87 O HETATM 1430 O HOH 36 28.257 14.158 30.216 1.00 20.44 O HETATM 1431 O HOH 37 27.256 13.292 22.416 1.00 16.30 O HETATM 1432 O HOH 38 16.847 19.003 20.577 1.00 18.10 O HETATM 1433 O HOH 39 15.614 12.941 41.871 1.00 27.72 O HETATM 1434 O HOH 40 13.658 17.122 43.239 1.00 31.81 O HETATM 1435 O HOH 41 11.906 12.606 38.248 1.00 15.57 O HETATM 1436 O HOH 42 0.249 10.230 30.490 1.00 50.51 O HETATM 1437 O HOH 43 5.229 13.670 32.587 1.00 27.19 O HETATM 1438 O HOH 44 -2.030 14.852 26.859 1.00 14.22 O HETATM 1439 O HOH 45 1.627 16.134 24.363 1.00 20.47 O HETATM 1440 O HOH 46 5.079 19.756 19.560 1.00 33.23 O HETATM 1441 O HOH 47 3.490 17.646 19.023 1.00 33.29 O HETATM 1442 O HOH 48 1.203 14.739 17.476 1.00 25.34 O HETATM 1443 O HOH 49 -1.105 10.144 32.663 1.00 29.74 O HETATM 1444 O HOH 50 10.445 18.617 14.823 1.00 36.68 O HETATM 1445 O HOH 51 11.304 7.150 12.268 1.00 24.46 O HETATM 1446 O HOH 52 19.961 3.473 20.055 1.00 40.60 O HETATM 1447 O HOH 53 8.494 -1.330 16.390 1.00 36.76 O HETATM 1448 O HOH 54 11.721 -2.099 20.158 1.00 29.13 O HETATM 1449 O HOH 55 13.575 24.602 23.404 1.00 28.25 O HETATM 1450 O HOH 56 32.308 13.516 29.439 1.00 21.30 O HETATM 1451 O HOH 57 0.172 9.705 35.000 1.00 31.19 O HETATM 1452 O HOH 58 19.738 2.594 17.437 1.00 34.97 O HETATM 1453 O HOH 59 1.312 -0.047 23.827 1.00 44.57 O HETATM 1454 O HOH 60 11.290 2.960 13.371 1.00 33.70 O HETATM 1455 O HOH 61 8.339 5.844 36.253 1.00 25.04 O HETATM 1456 O HOH 62 13.671 -0.481 15.472 1.00 53.22 O HETATM 1457 O HOH 63 9.846 3.880 39.676 1.00 37.21 O HETATM 1458 O HOH 64 13.718 -2.216 17.870 1.00 34.71 O HETATM 1459 O HOH 65 18.875 -2.194 22.820 1.00 33.73 O HETATM 1460 O HOH 66 12.064 2.725 39.068 1.00 26.60 O HETATM 1461 O HOH 67 11.195 -1.924 30.297 1.00 26.00 O HETATM 1462 O HOH 68 16.383 -0.127 30.706 1.00 16.16 O HETATM 1463 O HOH 69 26.427 3.431 38.603 1.00 27.85 O HETATM 1464 O HOH 70 18.606 0.963 25.069 1.00 30.84 O HETATM 1465 O HOH 71 19.736 9.011 44.244 1.00 36.91 O HETATM 1466 O HOH 72 22.530 1.806 40.514 1.00 42.31 O HETATM 1467 O HOH 73 22.789 9.196 44.007 1.00 30.85 O HETATM 1468 O HOH 74 20.175 11.436 43.359 1.00 23.03 O HETATM 1469 O HOH 75 22.358 13.260 44.916 1.00 32.21 O HETATM 1470 O HOH 76 23.852 15.705 45.363 1.00 31.35 O HETATM 1471 O HOH 77 13.425 13.359 40.338 1.00 35.86 O HETATM 1472 O HOH 78 15.665 21.825 26.726 1.00 29.71 O HETATM 1473 O HOH 79 16.151 23.602 34.389 1.00 24.36 O HETATM 1474 O HOH 80 19.597 7.029 37.833 1.00 21.80 O HETATM 1475 O HOH 81 16.076 17.735 16.685 1.00 34.18 O HETATM 1476 O HOH 82 15.567 1.142 38.358 1.00 16.13 O HETATM 1477 O HOH 83 15.644 -0.007 33.369 1.00 8.58 O HETATM 1478 O HOH 84 19.820 4.556 39.723 1.00 34.88 O HETATM 1479 O HOH 85 10.469 4.347 35.386 1.00 14.80 O HETATM 1480 O HOH 86 29.567 8.505 36.843 1.00 16.61 O HETATM 1481 O HOH 87 13.395 25.564 32.809 1.00 35.65 O HETATM 1482 O HOH 88 14.931 1.983 15.313 1.00 25.67 O HETATM 1483 O HOH 89 28.835 8.308 29.548 1.00 27.69 O HETATM 1484 O HOH 90 25.967 0.790 25.944 1.00 37.72 O HETATM 1485 O HOH 91 25.321 -0.602 28.777 1.00 33.12 O HETATM 1486 O HOH 92 2.088 3.771 16.503 1.00 26.24 O HETATM 1487 O HOH 93 1.531 5.408 30.594 1.00 31.76 O HETATM 1488 O HOH 94 27.696 4.484 30.250 1.00 29.39 O HETATM 1489 O HOH 95 5.001 5.028 33.211 1.00 31.34 O HETATM 1490 O HOH 96 4.264 5.061 30.706 1.00 28.33 O HETATM 1491 O HOH 97 7.894 19.186 12.555 1.00 34.24 O HETATM 1492 O HOH 98 25.953 21.122 22.689 1.00 44.58 O HETATM 1493 O HOH 99 26.508 17.924 22.308 1.00 50.06 O HETATM 1494 O HOH 100 27.008 17.523 19.825 1.00 40.32 O HETATM 1495 O HOH 101 4.743 2.603 29.582 1.00 45.10 O HETATM 1496 O HOH 102 5.609 0.499 28.301 1.00 49.56 O HETATM 1497 O HOH 103 7.253 -1.253 25.020 1.00 43.50 O HETATM 1498 O HOH 104 24.513 4.474 23.100 1.00 27.96 O HETATM 1499 O HOH 105 7.584 19.837 17.787 1.00 34.33 O HETATM 1500 O HOH 106 11.195 17.635 39.645 1.00 32.59 O HETATM 1501 O HOH 107 9.171 15.919 40.176 1.00 34.47 O HETATM 1502 O HOH 108 8.533 13.432 39.735 1.00 38.84 O HETATM 1503 O HOH 109 12.177 15.639 41.219 1.00 35.24 O HETATM 1504 O HOH 110 10.102 11.177 39.982 1.00 36.80 O HETATM 1505 O HOH 111 8.917 6.747 38.680 1.00 37.20 O HETATM 1506 O HOH 112 6.123 9.529 38.401 1.00 33.63 O HETATM 1507 O HOH 113 5.614 8.602 36.019 1.00 36.75 O HETATM 1508 O HOH 114 10.206 8.548 40.137 1.00 38.27 O HETATM 1509 O HOH 115 15.255 24.495 27.587 1.00 31.26 O HETATM 1510 O HOH 116 17.286 25.592 26.189 1.00 44.27 O HETATM 1511 O HOH 117 18.794 23.745 23.236 1.00 37.25 O HETATM 1512 O HOH 118 20.044 24.395 29.663 1.00 39.11 O HETATM 1513 O HOH 119 14.445 24.997 30.104 1.00 46.96 O HETATM 1514 O HOH 120 14.396 16.021 15.379 1.00 43.81 O HETATM 1515 O HOH 121 13.005 18.099 14.644 1.00 39.60 O HETATM 1516 O HOH 122 -4.399 8.296 23.817 1.00 34.09 O HETATM 1517 O HOH 123 -3.881 7.615 26.425 1.00 49.26 O HETATM 1518 O HOH 124 9.623 5.027 12.212 1.00 39.83 O HETATM 1519 O HOH 125 6.756 1.801 14.840 1.00 45.07 O HETATM 1520 O HOH 126 10.487 -0.586 14.406 1.00 47.69 O HETATM 1521 O HOH 127 20.858 -0.491 24.793 1.00 37.60 O HETATM 1522 O HOH 128 18.252 -2.051 19.681 1.00 33.03 O HETATM 1523 O HOH 129 0.314 5.420 22.941 1.00 44.08 O HETATM 1524 O HOH 130 8.598 -1.783 30.530 1.00 38.52 O HETATM 1525 O HOH 131 27.476 0.941 29.270 1.00 47.78 O HETATM 1526 O HOH 132 28.570 4.453 34.817 1.00 33.77 O HETATM 1527 O HOH 133 28.522 13.602 40.781 1.00 24.76 O HETATM 1528 O HOH 134 28.621 5.035 23.963 1.00 30.55 O HETATM 1529 O HOH 135 24.668 19.380 21.014 1.00 41.66 O HETATM 1530 O HOH 136 26.754 22.761 30.601 1.00 72.80 O HETATM 1531 O HOH 137 27.600 21.227 26.826 1.00 58.36 O HETATM 1532 N1 UNN A 138 12.593 8.448 35.680 1.00 -0.21 N HETATM 1533 C5 UNN A 138 11.693 9.088 34.737 1.00 0.06 C HETATM 1534 C57 UNN A 138 10.648 8.109 34.173 1.00 -0.06 C HETATM 1535 H1 UNN A 138 9.993 8.639 33.467 1.00 0.02 H HETATM 1536 H2 UNN A 138 10.045 7.702 34.998 1.00 0.02 H HETATM 1537 H3 UNN A 138 11.160 7.287 33.652 1.00 0.02 H HETATM 1538 C51 UNN A 138 12.519 9.725 33.633 1.00 -0.03 C HETATM 1539 C56 UNN A 138 13.895 9.911 33.814 1.00 -0.04 C HETATM 1540 C55 UNN A 138 14.651 10.585 32.847 1.00 -0.02 C HETATM 1541 C54 UNN A 138 14.023 11.069 31.699 1.00 0.07 C HETATM 1542 CL5 UNN A 138 14.949 12.020 30.533 1.00 -0.04 CL HETATM 1543 C53 UNN A 138 12.664 10.823 31.476 1.00 -0.02 C HETATM 1544 C52 UNN A 138 11.913 10.151 32.443 1.00 -0.04 C HETATM 1545 H10 UNN A 138 10.860 9.959 32.273 1.00 0.08 H HETATM 1546 H9 UNN A 138 12.195 11.153 30.556 1.00 0.07 H HETATM 1547 H8 UNN A 138 15.716 10.730 32.989 1.00 0.07 H HETATM 1548 H7 UNN A 138 14.377 9.531 34.707 1.00 0.08 H HETATM 1549 C4 UNN A 138 11.040 10.162 35.660 1.00 0.00 C HETATM 1550 C47 UNN A 138 9.715 9.646 36.222 1.00 -0.08 C HETATM 1551 H4 UNN A 138 9.268 10.414 36.870 1.00 0.01 H HETATM 1552 H5 UNN A 138 9.896 8.732 36.807 1.00 0.01 H HETATM 1553 H6 UNN A 138 9.028 9.420 35.393 1.00 0.01 H HETATM 1554 C41 UNN A 138 10.803 11.463 34.943 1.00 -0.05 C HETATM 1555 C42 UNN A 138 9.543 11.722 34.394 1.00 -0.04 C HETATM 1556 C43 UNN A 138 9.314 12.907 33.701 1.00 -0.02 C HETATM 1557 C44 UNN A 138 10.353 13.825 33.559 1.00 0.07 C HETATM 1558 CL4 UNN A 138 10.088 15.305 32.647 1.00 -0.04 CL HETATM 1559 C45 UNN A 138 11.608 13.583 34.122 1.00 -0.02 C HETATM 1560 C46 UNN A 138 11.828 12.400 34.819 1.00 -0.04 C HETATM 1561 H14 UNN A 138 12.796 12.206 35.266 1.00 0.08 H HETATM 1562 H13 UNN A 138 12.404 14.311 34.017 1.00 0.07 H HETATM 1563 H12 UNN A 138 8.338 13.114 33.276 1.00 0.07 H HETATM 1564 H11 UNN A 138 8.744 10.999 34.508 1.00 0.08 H HETATM 1565 N3 UNN A 138 11.997 10.317 36.772 1.00 -0.39 N HETATM 1566 C2 UNN A 138 12.817 9.323 36.800 1.00 0.14 C HETATM 1567 C21 UNN A 138 13.848 9.094 37.832 1.00 0.10 C HETATM 1568 C22 UNN A 138 13.564 9.406 39.163 1.00 -0.02 C HETATM 1569 C23 UNN A 138 14.532 9.237 40.156 1.00 -0.04 C HETATM 1570 C24 UNN A 138 15.800 8.743 39.831 1.00 -0.05 C HETATM 1571 C30 UNN A 138 16.824 8.563 40.922 1.00 -0.05 C HETATM 1572 C33 UNN A 138 17.797 9.747 40.911 1.00 -0.08 C HETATM 1573 H26 UNN A 138 18.544 9.615 41.708 1.00 0.01 H HETATM 1574 H27 UNN A 138 17.241 10.681 41.081 1.00 0.01 H HETATM 1575 H28 UNN A 138 18.305 9.795 39.936 1.00 0.01 H HETATM 1576 C31 UNN A 138 17.604 7.264 40.697 1.00 -0.08 C HETATM 1577 H29 UNN A 138 16.908 6.412 40.704 1.00 0.01 H HETATM 1578 H30 UNN A 138 18.346 7.138 41.499 1.00 0.01 H HETATM 1579 H31 UNN A 138 18.118 7.309 39.726 1.00 0.01 H HETATM 1580 C32 UNN A 138 16.117 8.501 42.279 1.00 -0.08 C HETATM 1581 H38 UNN A 138 15.556 9.433 42.443 1.00 0.01 H HETATM 1582 H39 UNN A 138 16.864 8.378 43.077 1.00 0.01 H HETATM 1583 H40 UNN A 138 15.423 7.648 42.292 1.00 0.01 H HETATM 1584 C25 UNN A 138 16.109 8.427 38.504 1.00 -0.01 C HETATM 1585 C26 UNN A 138 15.127 8.612 37.519 1.00 0.14 C HETATM 1586 O27 UNN A 138 15.422 8.340 36.211 1.00 -0.30 O HETATM 1587 C28 UNN A 138 16.739 7.881 35.949 1.00 0.07 C HETATM 1588 C29 UNN A 138 16.882 7.542 34.459 1.00 -0.04 C HETATM 1589 H35 UNN A 138 17.904 7.187 34.260 1.00 0.03 H HETATM 1590 H36 UNN A 138 16.683 8.441 33.858 1.00 0.03 H HETATM 1591 H37 UNN A 138 16.162 6.755 34.191 1.00 0.03 H HETATM 1592 H33 UNN A 138 16.939 6.981 36.549 1.00 0.06 H HETATM 1593 H34 UNN A 138 17.460 8.668 36.216 1.00 0.06 H HETATM 1594 H32 UNN A 138 17.089 8.046 38.241 1.00 0.08 H HETATM 1595 H25 UNN A 138 14.299 9.490 41.184 1.00 0.08 H HETATM 1596 H24 UNN A 138 12.583 9.783 39.428 1.00 0.07 H HETATM 1597 C10 UNN A 138 13.066 7.097 35.478 1.00 0.30 C HETATM 1598 O10 UNN A 138 13.331 6.708 34.334 1.00 -0.39 O HETATM 1599 N10 UNN A 138 13.241 6.247 36.580 1.00 -0.24 N HETATM 1600 C14 UNN A 138 13.894 4.961 36.360 1.00 0.08 C HETATM 1601 C13 UNN A 138 14.773 4.636 37.554 1.00 -0.01 C HETATM 1602 N12 UNN A 138 13.986 4.650 38.811 1.00 0.24 N HETATM 1603 C12 UNN A 138 13.338 5.980 39.031 1.00 -0.01 C HETATM 1604 C11 UNN A 138 12.468 6.395 37.819 1.00 0.08 C HETATM 1605 H22 UNN A 138 11.576 5.753 37.772 1.00 0.06 H HETATM 1606 H23 UNN A 138 12.159 7.444 37.934 1.00 0.06 H HETATM 1607 H20 UNN A 138 14.120 6.738 39.185 1.00 0.08 H HETATM 1608 H21 UNN A 138 12.701 5.923 39.926 1.00 0.08 H HETATM 1609 C15 UNN A 138 14.837 4.223 39.942 1.00 -0.03 C HETATM 1610 C16 UNN A 138 14.105 4.266 41.285 1.00 0.01 C HETATM 1611 C17 UNN A 138 15.068 3.786 42.382 1.00 0.07 C HETATM 1612 S17 UNN A 138 14.470 4.217 43.996 1.00 -0.03 S HETATM 1613 C19 UNN A 138 15.569 3.418 45.143 1.00 0.05 C HETATM 1614 H45 UNN A 138 15.253 3.645 46.172 1.00 0.05 H HETATM 1615 H46 UNN A 138 16.594 3.784 44.985 1.00 0.05 H HETATM 1616 H47 UNN A 138 15.539 2.330 44.982 1.00 0.05 H HETATM 1617 O17 UNN A 138 13.138 3.656 44.163 1.00 -0.17 O HETATM 1618 O18 UNN A 138 14.594 5.666 44.158 1.00 -0.17 O HETATM 1619 H43 UNN A 138 16.051 4.255 42.227 1.00 0.05 H HETATM 1620 H44 UNN A 138 15.169 2.693 42.317 1.00 0.05 H HETATM 1621 H41 UNN A 138 13.783 5.296 41.499 1.00 0.03 H HETATM 1622 H42 UNN A 138 13.225 3.607 41.249 1.00 0.03 H HETATM 1623 H48 UNN A 138 15.710 4.890 39.996 1.00 0.08 H HETATM 1624 H49 UNN A 138 15.174 3.192 39.758 1.00 0.08 H HETATM 1625 H19 UNN A 138 13.246 3.972 38.718 1.00 0.20 H HETATM 1626 H17 UNN A 138 15.576 5.384 37.624 1.00 0.08 H HETATM 1627 H18 UNN A 138 15.213 3.637 37.416 1.00 0.08 H HETATM 1628 H15 UNN A 138 14.512 5.013 35.452 1.00 0.06 H HETATM 1629 H16 UNN A 138 13.132 4.177 36.240 1.00 0.06 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1532 1533 1566 1597 CONECT 1533 1532 1534 1538 1549 CONECT 1534 1533 1535 1536 1537 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1534 CONECT 1538 1533 1539 1544 CONECT 1539 1538 1540 1548 CONECT 1540 1539 1541 1547 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 1544 1546 CONECT 1544 1538 1543 1545 CONECT 1545 1544 CONECT 1546 1543 CONECT 1547 1540 CONECT 1548 1539 CONECT 1549 1533 1550 1554 1565 CONECT 1550 1549 1551 1552 1553 CONECT 1551 1550 CONECT 1552 1550 CONECT 1553 1550 CONECT 1554 1549 1555 1560 CONECT 1555 1554 1556 1564 CONECT 1556 1555 1557 1563 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1562 CONECT 1560 1554 1559 1561 CONECT 1561 1560 CONECT 1562 1559 CONECT 1563 1556 CONECT 1564 1555 CONECT 1565 1549 1566 CONECT 1566 1532 1565 1567 CONECT 1567 1566 1568 1585 CONECT 1568 1567 1569 1596 CONECT 1569 1568 1570 1595 CONECT 1570 1569 1571 1584 CONECT 1571 1570 1572 1576 1580 CONECT 1572 1571 1573 1574 1575 CONECT 1573 1572 CONECT 1574 1572 CONECT 1575 1572 CONECT 1576 1571 1577 1578 1579 CONECT 1577 1576 CONECT 1578 1576 CONECT 1579 1576 CONECT 1580 1571 1581 1582 1583 CONECT 1581 1580 CONECT 1582 1580 CONECT 1583 1580 CONECT 1584 1570 1585 1594 CONECT 1585 1567 1584 1586 CONECT 1586 1585 1587 CONECT 1587 1586 1588 1592 1593 CONECT 1588 1587 1589 1590 1591 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1588 CONECT 1592 1587 CONECT 1593 1587 CONECT 1594 1584 CONECT 1595 1569 CONECT 1596 1568 CONECT 1597 1532 1598 1599 CONECT 1598 1597 CONECT 1599 1597 1600 1604 CONECT 1600 1599 1601 1628 1629 CONECT 1601 1600 1602 1626 1627 CONECT 1602 1601 1603 1609 1625 CONECT 1603 1602 1604 1607 1608 CONECT 1604 1599 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 CONECT 1607 1603 CONECT 1608 1603 CONECT 1609 1602 1610 1623 1624 CONECT 1610 1609 1611 1621 1622 CONECT 1611 1610 1612 1619 1620 CONECT 1612 1611 1613 1617 1618 CONECT 1613 1612 1614 1615 1616 CONECT 1614 1613 CONECT 1615 1613 CONECT 1616 1613 CONECT 1617 1612 CONECT 1618 1612 CONECT 1619 1611 CONECT 1620 1611 CONECT 1621 1610 CONECT 1622 1610 CONECT 1623 1609 CONECT 1624 1609 CONECT 1625 1602 CONECT 1626 1601 CONECT 1627 1601 CONECT 1628 1600 CONECT 1629 1600 MASTER 0 0 0 0 0 0 0 0 1628 1 102 7 END
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Pocket-Ligand
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Related entries of code: 4ipf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
107aa, >1TTV_1|Chain... *
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RCSB PDB
PDBbind
86aa, >4J3E_1|Chain... at 98%
4j74
RCSB PDB
PDBbind
86aa, >4J74_1|Chain... at 98%
4j7d
RCSB PDB
PDBbind
86aa, >4J7D_1|Chain... at 98%
4j7e
RCSB PDB
PDBbind
86aa, >4J7E_1|Chain... at 98%
4jrg
RCSB PDB
PDBbind
85aa, >4JRG_1|Chains... at 100%
4jsc
RCSB PDB
PDBbind
86aa, >4JSC_1|Chains... at 98%
4lwt
RCSB PDB
PDBbind
86aa, >4LWT_1|Chain... at 98%
4lwu
RCSB PDB
PDBbind
85aa, >4LWU_1|Chain... at 100%
4lwv
RCSB PDB
PDBbind
85aa, >4LWV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ipf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2 (I50L, P92H, L95I mutation)
Ligand Name
1F0
EC.Number
E.C.6.3.2
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
IC50=18nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Cancer Res. Vol. 73: pp. 2587-2597
Ligand Properties
Formula
C
3
8
H
4
9
Cl
2
N
4
O
4
S
Molecular Weight
728.791
Exact Mass
727.285
No. of atoms
98
No. of bonds
102
Polar Surface Area
92.1
LOGP Value
7.27 (
Computed with XLOGP3
)
8.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
CCOc1cc(ccc1C1=N[C@@]([C@@](N1C(=O)N1CC[N@H+](CC1)CCCS(=O)(=O)C)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C
InChI String
InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/p+1/t37-,38+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P56273
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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