Browse entries in the PDBbind-CN Database
HEADER 5D4A_COMPLEX COMPND 5D4A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ARG GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP SEQRES 2 A 136 LYS LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS SEQRES 3 A 136 GLU VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY SEQRES 4 A 136 MET ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP SEQRES 5 A 136 VAL ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR SEQRES 6 A 136 GLU ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL SEQRES 7 A 136 THR ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU SEQRES 8 A 136 ASP GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY SEQRES 9 A 136 LYS SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS SEQRES 10 A 136 LEU VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR SEQRES 11 A 136 ARG VAL TYR GLU ARG ALA HET UNN A 250 34 ATOM 1 N ARG A -4 5.576 24.861 -5.349 1.00 52.61 N ATOM 2 CA ARG A -4 4.737 24.328 -6.450 1.00 55.89 C ATOM 3 C ARG A -4 5.314 23.028 -7.072 1.00 58.48 C ATOM 4 O ARG A -4 4.559 22.062 -7.290 1.00 62.40 O ATOM 5 CB ARG A -4 4.458 25.406 -7.520 1.00 60.58 C ATOM 6 CG ARG A -4 3.389 25.039 -8.569 1.00 65.07 C ATOM 7 CD ARG A -4 2.426 26.200 -8.845 1.00 67.99 C ATOM 8 NE ARG A -4 3.104 27.489 -8.674 1.00 77.58 N ATOM 9 CZ ARG A -4 2.627 28.684 -9.040 1.00 87.26 C ATOM 10 NH1 ARG A -4 1.422 28.807 -9.596 1.00 87.14 N ATOM 11 NH2 ARG A -4 3.364 29.777 -8.848 1.00 84.36 N ATOM 12 HE ARG A -4 4.043 27.473 -8.227 1.00 0.00 H ATOM 13 HH12 ARG A -4 1.071 29.746 -9.873 1.00 0.00 H ATOM 14 HH11 ARG A -4 0.833 27.964 -9.753 1.00 0.00 H ATOM 15 HH22 ARG A -4 2.997 30.708 -9.131 1.00 0.00 H ATOM 16 HH21 ARG A -4 4.306 29.699 -8.415 1.00 0.00 H ATOM 17 HN3 ARG A -4 6.526 25.077 -5.712 1.00 0.00 H ATOM 18 HN2 ARG A -4 5.646 24.150 -4.593 1.00 0.00 H ATOM 19 HN1 ARG A -4 5.142 25.728 -4.973 1.00 0.00 H ATOM 20 N GLY A -3 6.624 22.988 -7.360 1.00 52.87 N ATOM 21 CA GLY A -3 7.249 21.777 -7.959 1.00 42.52 C ATOM 22 C GLY A -3 7.778 20.748 -6.940 1.00 39.95 C ATOM 23 O GLY A -3 7.685 20.961 -5.715 1.00 41.21 O ATOM 24 H GLY A -3 7.215 23.820 -7.161 1.00 0.00 H ATOM 25 N SER A -2 8.334 19.645 -7.447 1.00 34.91 N ATOM 26 CA SER A -2 8.806 18.494 -6.616 1.00 34.64 C ATOM 27 C SER A -2 9.924 18.889 -5.639 1.00 35.02 C ATOM 28 O SER A -2 10.837 19.658 -5.970 1.00 34.24 O ATOM 29 CB SER A -2 9.376 17.375 -7.480 1.00 38.34 C ATOM 30 OG SER A -2 8.381 16.805 -8.309 1.00 45.07 O ATOM 31 HG SER A -2 8.782 16.084 -8.856 1.00 0.00 H ATOM 32 H SER A -2 8.445 19.582 -8.479 1.00 0.00 H ATOM 33 N HIS A -1 9.887 18.299 -4.457 1.00 27.76 N ATOM 34 CA HIS A -1 11.009 18.462 -3.510 1.00 24.81 C ATOM 35 C HIS A -1 11.467 17.064 -3.061 1.00 23.68 C ATOM 36 O HIS A -1 10.716 16.076 -3.164 1.00 25.25 O ATOM 37 CB HIS A -1 10.510 19.291 -2.342 1.00 29.57 C ATOM 38 CG HIS A -1 10.676 20.828 -2.475 1.00 43.88 C ATOM 39 ND1 HIS A -1 9.961 21.589 -3.361 1.00 49.11 N ATOM 40 CD2 HIS A -1 11.485 21.746 -1.737 1.00 41.52 C ATOM 41 CE1 HIS A -1 10.307 22.898 -3.220 1.00 47.45 C ATOM 42 NE2 HIS A -1 11.235 22.991 -2.226 1.00 50.13 N ATOM 43 H HIS A -1 9.066 17.718 -4.193 1.00 0.00 H ATOM 44 N MET A 0 12.686 16.930 -2.544 1.00 22.08 N ATOM 45 CA MET A 0 13.134 15.623 -2.066 1.00 18.40 C ATOM 46 C MET A 0 12.156 15.014 -0.985 1.00 19.59 C ATOM 47 O MET A 0 11.948 13.796 -1.026 1.00 21.69 O ATOM 48 CB MET A 0 14.583 15.752 -1.520 1.00 21.00 C ATOM 49 CG MET A 0 15.164 14.477 -0.950 1.00 15.60 C ATOM 50 SD MET A 0 14.847 14.268 0.811 1.00 16.88 S ATOM 51 CE MET A 0 15.064 12.510 0.863 1.00 17.64 C ATOM 52 H MET A 0 13.318 17.753 -2.480 1.00 0.00 H ATOM 53 N CYS A 1 11.674 15.887 -0.071 1.00 20.58 N ATOM 54 CA CYS A 1 10.657 15.668 1.010 1.00 26.03 C ATOM 55 C CYS A 1 9.529 14.737 0.403 1.00 21.83 C ATOM 56 O CYS A 1 8.867 13.980 1.118 1.00 24.81 O ATOM 57 CB CYS A 1 10.020 17.093 1.532 1.00 25.59 C ATOM 58 SG CYS A 1 11.003 18.689 1.426 1.00 43.25 S ATOM 59 H CYS A 1 12.065 16.849 -0.126 1.00 0.00 H ATOM 60 N ASP A 2 9.247 14.822 -0.897 1.00 23.21 N ATOM 61 CA ASP A 2 8.149 14.029 -1.492 1.00 27.46 C ATOM 62 C ASP A 2 8.279 12.488 -1.410 1.00 27.10 C ATOM 63 O ASP A 2 7.257 11.835 -1.488 1.00 25.10 O ATOM 64 CB ASP A 2 7.870 14.451 -2.962 1.00 30.68 C ATOM 65 CG ASP A 2 7.365 15.909 -3.093 1.00 33.29 C ATOM 66 OD1 ASP A 2 6.820 16.555 -2.184 1.00 33.77 O ATOM 67 OD2 ASP A 2 7.582 16.472 -4.197 1.00 44.76 O ATOM 68 H ASP A 2 9.807 15.455 -1.502 1.00 0.00 H ATOM 69 N ALA A 3 9.502 11.944 -1.210 1.00 22.46 N ATOM 70 CA ALA A 3 9.815 10.524 -0.961 1.00 22.30 C ATOM 71 C ALA A 3 9.066 10.032 0.334 1.00 19.34 C ATOM 72 O ALA A 3 8.885 8.813 0.550 1.00 22.59 O ATOM 73 CB ALA A 3 11.296 10.341 -0.676 1.00 21.91 C ATOM 74 H ALA A 3 10.310 12.599 -1.235 1.00 0.00 H ATOM 75 N PHE A 4 8.773 10.980 1.225 1.00 15.94 N ATOM 76 CA PHE A 4 8.118 10.628 2.500 1.00 15.27 C ATOM 77 C PHE A 4 6.632 10.717 2.358 1.00 16.90 C ATOM 78 O PHE A 4 5.890 10.190 3.209 1.00 17.61 O ATOM 79 CB PHE A 4 8.504 11.583 3.633 1.00 15.89 C ATOM 80 CG PHE A 4 9.956 11.413 4.057 1.00 14.81 C ATOM 81 CD1 PHE A 4 10.335 10.300 4.881 1.00 16.72 C ATOM 82 CD2 PHE A 4 10.907 12.273 3.581 1.00 17.47 C ATOM 83 CE1 PHE A 4 11.676 10.120 5.246 1.00 18.02 C ATOM 84 CE2 PHE A 4 12.264 12.099 3.954 1.00 18.23 C ATOM 85 CZ PHE A 4 12.646 11.027 4.757 1.00 17.71 C ATOM 86 H PHE A 4 9.007 11.972 1.020 1.00 0.00 H ATOM 87 N VAL A 5 6.152 11.391 1.319 1.00 16.85 N ATOM 88 CA VAL A 5 4.745 11.653 1.264 1.00 14.57 C ATOM 89 C VAL A 5 3.909 10.455 0.947 1.00 15.98 C ATOM 90 O VAL A 5 4.243 9.660 0.047 1.00 16.95 O ATOM 91 CB VAL A 5 4.436 12.746 0.243 1.00 16.50 C ATOM 92 CG1 VAL A 5 2.955 12.743 -0.159 1.00 18.14 C ATOM 93 CG2 VAL A 5 4.955 14.150 0.791 1.00 16.77 C ATOM 94 H VAL A 5 6.784 11.721 0.562 1.00 0.00 H ATOM 95 N GLY A 6 2.787 10.308 1.651 1.00 15.36 N ATOM 96 CA GLY A 6 1.869 9.206 1.362 1.00 16.57 C ATOM 97 C GLY A 6 1.267 8.593 2.585 1.00 15.81 C ATOM 98 O GLY A 6 1.177 9.296 3.617 1.00 17.00 O ATOM 99 H GLY A 6 2.562 10.981 2.411 1.00 0.00 H ATOM 100 N THR A 7 0.794 7.332 2.501 1.00 17.38 N ATOM 101 CA THR A 7 0.048 6.733 3.616 1.00 17.71 C ATOM 102 C THR A 7 0.879 5.499 3.962 1.00 15.19 C ATOM 103 O THR A 7 1.159 4.658 3.079 1.00 17.40 O ATOM 104 CB THR A 7 -1.421 6.373 3.197 1.00 18.92 C ATOM 105 OG1 THR A 7 -1.988 7.548 2.513 1.00 21.69 O ATOM 106 CG2 THR A 7 -2.317 5.921 4.388 1.00 18.62 C ATOM 107 HG1 THR A 7 -1.442 7.759 1.714 1.00 0.00 H ATOM 108 H THR A 7 0.959 6.778 1.637 1.00 0.00 H ATOM 109 N TRP A 8 1.224 5.357 5.238 1.00 16.94 N ATOM 110 CA TRP A 8 2.187 4.363 5.655 1.00 17.00 C ATOM 111 C TRP A 8 1.528 3.605 6.801 1.00 16.42 C ATOM 112 O TRP A 8 0.810 4.200 7.580 1.00 18.49 O ATOM 113 CB TRP A 8 3.417 5.044 6.181 1.00 16.92 C ATOM 114 CG TRP A 8 4.152 5.845 5.159 1.00 15.28 C ATOM 115 CD1 TRP A 8 4.029 7.234 4.908 1.00 15.61 C ATOM 116 CD2 TRP A 8 5.127 5.348 4.169 1.00 14.77 C ATOM 117 NE1 TRP A 8 4.860 7.600 3.871 1.00 15.51 N ATOM 118 CE2 TRP A 8 5.532 6.496 3.394 1.00 15.60 C ATOM 119 CE3 TRP A 8 5.697 4.066 3.870 1.00 15.93 C ATOM 120 CZ2 TRP A 8 6.500 6.398 2.388 1.00 15.85 C ATOM 121 CZ3 TRP A 8 6.690 4.012 2.844 1.00 18.32 C ATOM 122 CH2 TRP A 8 7.008 5.131 2.084 1.00 17.54 C ATOM 123 HE1 TRP A 8 4.964 8.567 3.503 1.00 0.00 H ATOM 124 H TRP A 8 0.791 5.976 5.953 1.00 0.00 H ATOM 125 N LYS A 9 1.688 2.295 6.815 1.00 15.21 N ATOM 126 CA LYS A 9 1.199 1.402 7.933 1.00 15.92 C ATOM 127 C LYS A 9 2.367 0.729 8.663 1.00 16.84 C ATOM 128 O LYS A 9 3.381 0.307 8.061 1.00 16.37 O ATOM 129 CB LYS A 9 0.236 0.404 7.396 1.00 20.04 C ATOM 130 CG LYS A 9 0.846 -0.524 6.432 1.00 26.69 C ATOM 131 CD LYS A 9 -0.134 -1.479 5.748 1.00 34.55 C ATOM 132 CE LYS A 9 0.492 -2.060 4.454 1.00 35.85 C ATOM 133 NZ LYS A 9 1.059 -3.435 4.607 1.00 42.32 N ATOM 134 HZ1 LYS A 9 1.808 -3.421 5.328 1.00 0.00 H ATOM 135 HZ2 LYS A 9 0.305 -4.089 4.901 1.00 0.00 H ATOM 136 HZ3 LYS A 9 1.456 -3.748 3.698 1.00 0.00 H ATOM 137 H LYS A 9 2.178 1.852 6.012 1.00 0.00 H ATOM 138 N LEU A 10 2.320 0.734 9.976 1.00 15.26 N ATOM 139 CA LEU A 10 3.396 0.088 10.794 1.00 15.72 C ATOM 140 C LEU A 10 3.390 -1.414 10.546 1.00 17.98 C ATOM 141 O LEU A 10 2.360 -2.079 10.679 1.00 18.68 O ATOM 142 CB LEU A 10 3.125 0.263 12.291 1.00 15.43 C ATOM 143 CG LEU A 10 4.256 -0.236 13.214 1.00 16.50 C ATOM 144 CD1 LEU A 10 5.493 0.643 13.078 1.00 15.97 C ATOM 145 CD2 LEU A 10 3.772 -0.266 14.660 1.00 19.28 C ATOM 146 H LEU A 10 1.521 1.195 10.456 1.00 0.00 H ATOM 147 N VAL A 11 4.564 -1.953 10.253 1.00 14.76 N ATOM 148 CA VAL A 11 4.703 -3.399 10.084 1.00 17.26 C ATOM 149 C VAL A 11 5.613 -4.087 11.087 1.00 20.29 C ATOM 150 O VAL A 11 5.485 -5.332 11.294 1.00 24.28 O ATOM 151 CB VAL A 11 4.964 -3.824 8.639 1.00 19.62 C ATOM 152 CG1 VAL A 11 3.842 -3.317 7.742 1.00 19.47 C ATOM 153 CG2 VAL A 11 6.349 -3.391 8.124 1.00 21.72 C ATOM 154 H VAL A 11 5.397 -1.340 10.142 1.00 0.00 H ATOM 155 N SER A 12 6.508 -3.340 11.682 1.00 19.28 N ATOM 156 CA SER A 12 7.365 -3.954 12.722 1.00 19.64 C ATOM 157 C SER A 12 7.826 -2.943 13.701 1.00 19.04 C ATOM 158 O SER A 12 7.902 -1.783 13.410 1.00 16.98 O ATOM 159 CB SER A 12 8.510 -4.756 12.218 1.00 24.15 C ATOM 160 OG SER A 12 9.423 -3.982 11.544 1.00 24.72 O ATOM 161 HG SER A 12 9.777 -3.286 12.152 1.00 0.00 H ATOM 162 H SER A 12 6.615 -2.337 11.430 1.00 0.00 H ATOM 163 N SER A 13 8.036 -3.441 14.928 1.00 18.28 N ATOM 164 CA SER A 13 8.481 -2.569 16.051 1.00 17.82 C ATOM 165 C SER A 13 9.457 -3.386 16.909 1.00 21.77 C ATOM 166 O SER A 13 9.155 -4.551 17.293 1.00 24.47 O ATOM 167 CB SER A 13 7.268 -2.086 16.837 1.00 18.67 C ATOM 168 OG SER A 13 7.613 -1.250 17.942 1.00 18.65 O ATOM 169 HG SER A 13 6.788 -0.969 18.412 1.00 0.00 H ATOM 170 H SER A 13 7.885 -4.456 15.099 1.00 0.00 H ATOM 171 N GLU A 14 10.655 -2.884 17.075 1.00 17.13 N ATOM 172 CA GLU A 14 11.620 -3.564 17.947 1.00 19.54 C ATOM 173 C GLU A 14 12.031 -2.576 19.048 1.00 17.77 C ATOM 174 O GLU A 14 12.372 -1.402 18.760 1.00 18.37 O ATOM 175 CB GLU A 14 12.871 -3.933 17.117 1.00 21.95 C ATOM 176 CG GLU A 14 12.594 -5.072 16.110 1.00 23.67 C ATOM 177 CD GLU A 14 12.185 -6.395 16.775 1.00 31.30 C ATOM 178 OE1 GLU A 14 12.770 -6.753 17.841 1.00 28.38 O ATOM 179 OE2 GLU A 14 11.254 -7.067 16.255 1.00 32.25 O ATOM 180 H GLU A 14 10.922 -2.004 16.589 1.00 0.00 H ATOM 181 N ASN A 15 12.043 -3.115 20.271 1.00 15.72 N ATOM 182 CA ASN A 15 12.648 -2.411 21.430 1.00 15.69 C ATOM 183 C ASN A 15 11.846 -1.191 21.780 1.00 15.15 C ATOM 184 O ASN A 15 12.321 -0.333 22.513 1.00 14.50 O ATOM 185 CB ASN A 15 14.152 -2.094 21.266 1.00 17.34 C ATOM 186 CG ASN A 15 14.907 -2.132 22.598 1.00 16.41 C ATOM 187 OD1 ASN A 15 14.759 -3.076 23.410 1.00 18.21 O ATOM 188 ND2 ASN A 15 15.720 -1.127 22.847 1.00 17.91 N ATOM 189 HD22 ASN A 15 15.823 -0.358 22.155 1.00 0.00 H ATOM 190 HD21 ASN A 15 16.259 -1.102 23.736 1.00 0.00 H ATOM 191 H ASN A 15 11.617 -4.053 20.415 1.00 0.00 H ATOM 192 N PHE A 16 10.548 -1.101 21.338 1.00 13.90 N ATOM 193 CA PHE A 16 9.829 0.108 21.613 1.00 14.23 C ATOM 194 C PHE A 16 9.403 0.210 23.088 1.00 15.67 C ATOM 195 O PHE A 16 9.310 1.329 23.666 1.00 14.90 O ATOM 196 CB PHE A 16 8.559 0.159 20.691 1.00 13.08 C ATOM 197 CG PHE A 16 7.856 1.511 20.681 1.00 17.08 C ATOM 198 CD1 PHE A 16 8.532 2.681 20.395 1.00 17.52 C ATOM 199 CD2 PHE A 16 6.436 1.541 20.854 1.00 18.21 C ATOM 200 CE1 PHE A 16 7.870 3.898 20.296 1.00 18.74 C ATOM 201 CE2 PHE A 16 5.754 2.769 20.783 1.00 15.08 C ATOM 202 CZ PHE A 16 6.487 3.922 20.551 1.00 16.32 C ATOM 203 H PHE A 16 10.102 -1.885 20.821 1.00 0.00 H ATOM 204 N ASP A 17 9.135 -0.937 23.751 1.00 17.75 N ATOM 205 CA ASP A 17 8.775 -0.831 25.152 1.00 16.88 C ATOM 206 C ASP A 17 9.916 -0.291 26.008 1.00 17.93 C ATOM 207 O ASP A 17 9.684 0.590 26.880 1.00 16.29 O ATOM 208 CB ASP A 17 8.295 -2.185 25.710 1.00 17.90 C ATOM 209 CG ASP A 17 7.705 -2.043 27.065 1.00 17.83 C ATOM 210 OD1 ASP A 17 6.633 -1.481 27.216 1.00 19.46 O ATOM 211 OD2 ASP A 17 8.309 -2.514 28.019 1.00 22.20 O ATOM 212 H ASP A 17 9.185 -1.860 23.275 1.00 0.00 H ATOM 213 N ASP A 18 11.138 -0.759 25.741 1.00 16.93 N ATOM 214 CA ASP A 18 12.304 -0.251 26.463 1.00 19.97 C ATOM 215 C ASP A 18 12.591 1.215 26.154 1.00 18.07 C ATOM 216 O ASP A 18 13.019 1.968 27.053 1.00 17.08 O ATOM 217 CB ASP A 18 13.554 -1.068 26.089 1.00 22.04 C ATOM 218 CG ASP A 18 13.699 -2.457 26.898 1.00 28.90 C ATOM 219 OD1 ASP A 18 12.891 -3.325 26.753 1.00 34.38 O ATOM 220 OD2 ASP A 18 14.688 -2.731 27.610 1.00 41.60 O ATOM 221 H ASP A 18 11.262 -1.491 25.013 1.00 0.00 H ATOM 222 N TYR A 19 12.389 1.624 24.878 1.00 16.25 N ATOM 223 CA TYR A 19 12.549 3.040 24.514 1.00 13.63 C ATOM 224 C TYR A 19 11.527 3.824 25.297 1.00 12.51 C ATOM 225 O TYR A 19 11.862 4.853 25.878 1.00 13.49 O ATOM 226 CB TYR A 19 12.414 3.211 22.974 1.00 13.75 C ATOM 227 CG TYR A 19 12.222 4.655 22.611 1.00 14.07 C ATOM 228 CD1 TYR A 19 13.248 5.524 22.525 1.00 14.44 C ATOM 229 CD2 TYR A 19 10.843 5.123 22.332 1.00 11.82 C ATOM 230 CE1 TYR A 19 13.008 6.887 22.211 1.00 12.09 C ATOM 231 CE2 TYR A 19 10.582 6.463 21.980 1.00 11.91 C ATOM 232 CZ TYR A 19 11.633 7.350 21.966 1.00 13.28 C ATOM 233 OH TYR A 19 11.397 8.683 21.648 1.00 13.67 O ATOM 234 HH TYR A 19 12.250 9.185 21.682 1.00 0.00 H ATOM 235 H TYR A 19 12.119 0.931 24.151 1.00 0.00 H ATOM 236 N MET A 20 10.234 3.393 25.283 1.00 14.11 N ATOM 237 CA MET A 20 9.329 4.184 26.027 1.00 15.02 C ATOM 238 C MET A 20 9.655 4.220 27.518 1.00 16.12 C ATOM 239 O MET A 20 9.448 5.268 28.146 1.00 16.85 O ATOM 240 CB MET A 20 7.895 3.735 25.788 1.00 11.95 C ATOM 241 CG MET A 20 7.396 3.934 24.330 1.00 13.16 C ATOM 242 SD MET A 20 5.600 3.604 24.310 1.00 16.42 S ATOM 243 CE MET A 20 5.569 1.842 24.363 1.00 14.85 C ATOM 244 H MET A 20 9.935 2.544 24.763 1.00 0.00 H ATOM 245 N LYS A 21 10.081 3.114 28.106 1.00 15.24 N ATOM 246 CA LYS A 21 10.532 3.238 29.532 1.00 16.50 C ATOM 247 C LYS A 21 11.574 4.317 29.722 1.00 18.06 C ATOM 248 O LYS A 21 11.462 5.072 30.720 1.00 20.59 O ATOM 249 CB LYS A 21 11.045 1.895 30.103 1.00 19.32 C ATOM 250 CG LYS A 21 9.990 0.797 30.246 1.00 22.07 C ATOM 251 CD LYS A 21 10.669 -0.447 30.804 1.00 24.11 C ATOM 252 CE LYS A 21 9.670 -1.489 31.180 1.00 30.46 C ATOM 253 NZ LYS A 21 10.479 -2.690 31.601 1.00 33.04 N ATOM 254 HZ1 LYS A 21 11.073 -3.002 30.807 1.00 0.00 H ATOM 255 HZ2 LYS A 21 11.083 -2.434 32.408 1.00 0.00 H ATOM 256 HZ3 LYS A 21 9.836 -3.459 31.878 1.00 0.00 H ATOM 257 H LYS A 21 10.102 2.203 27.604 1.00 0.00 H ATOM 258 N GLU A 22 12.568 4.405 28.842 1.00 17.65 N ATOM 259 CA GLU A 22 13.627 5.429 28.934 1.00 19.37 C ATOM 260 C GLU A 22 13.050 6.837 28.857 1.00 20.68 C ATOM 261 O GLU A 22 13.492 7.763 29.587 1.00 20.68 O ATOM 262 CB GLU A 22 14.666 5.218 27.862 1.00 22.58 C ATOM 263 CG GLU A 22 16.024 5.732 28.211 1.00 24.73 C ATOM 264 CD GLU A 22 16.706 4.875 29.294 1.00 34.99 C ATOM 265 OE1 GLU A 22 16.230 3.768 29.626 1.00 31.65 O ATOM 266 OE2 GLU A 22 17.787 5.279 29.779 1.00 36.14 O ATOM 267 H GLU A 22 12.600 3.724 28.057 1.00 0.00 H ATOM 268 N VAL A 23 11.998 7.006 28.062 1.00 21.66 N ATOM 269 CA VAL A 23 11.345 8.277 27.872 1.00 19.47 C ATOM 270 C VAL A 23 10.623 8.631 29.144 1.00 19.08 C ATOM 271 O VAL A 23 10.559 9.802 29.480 1.00 18.13 O ATOM 272 CB VAL A 23 10.450 8.273 26.613 1.00 18.35 C ATOM 273 CG1 VAL A 23 9.545 9.519 26.591 1.00 17.83 C ATOM 274 CG2 VAL A 23 11.326 8.260 25.361 1.00 16.89 C ATOM 275 H VAL A 23 11.627 6.179 27.551 1.00 0.00 H ATOM 276 N GLY A 24 10.162 7.606 29.880 1.00 17.95 N ATOM 277 CA GLY A 24 9.384 7.749 31.075 1.00 16.42 C ATOM 278 C GLY A 24 7.871 7.561 30.913 1.00 17.64 C ATOM 279 O GLY A 24 7.079 7.915 31.792 1.00 19.72 O ATOM 280 H GLY A 24 10.385 6.642 29.560 1.00 0.00 H ATOM 281 N VAL A 25 7.456 6.854 29.854 1.00 16.09 N ATOM 282 CA VAL A 25 6.054 6.471 29.693 1.00 15.74 C ATOM 283 C VAL A 25 5.654 5.431 30.777 1.00 16.47 C ATOM 284 O VAL A 25 6.352 4.442 30.956 1.00 18.12 O ATOM 285 CB VAL A 25 5.872 5.837 28.316 1.00 15.65 C ATOM 286 CG1 VAL A 25 4.384 5.650 28.009 1.00 15.38 C ATOM 287 CG2 VAL A 25 6.583 6.710 27.268 1.00 17.75 C ATOM 288 H VAL A 25 8.147 6.571 29.130 1.00 0.00 H ATOM 289 N GLY A 26 4.490 5.667 31.378 1.00 17.69 N ATOM 290 CA GLY A 26 4.023 4.776 32.447 1.00 20.97 C ATOM 291 C GLY A 26 3.514 3.486 31.842 1.00 20.16 C ATOM 292 O GLY A 26 3.231 3.419 30.612 1.00 17.72 O ATOM 293 H GLY A 26 3.912 6.482 31.090 1.00 0.00 H ATOM 294 N PHE A 27 3.254 2.508 32.726 1.00 18.21 N ATOM 295 CA PHE A 27 2.991 1.154 32.296 1.00 17.65 C ATOM 296 C PHE A 27 1.785 1.049 31.373 1.00 16.28 C ATOM 297 O PHE A 27 1.909 0.431 30.256 1.00 16.55 O ATOM 298 CB PHE A 27 2.708 0.308 33.568 1.00 18.63 C ATOM 299 CG PHE A 27 2.443 -1.135 33.267 1.00 16.67 C ATOM 300 CD1 PHE A 27 3.490 -2.063 33.124 1.00 20.22 C ATOM 301 CD2 PHE A 27 1.086 -1.576 33.098 1.00 20.95 C ATOM 302 CE1 PHE A 27 3.180 -3.431 32.782 1.00 20.17 C ATOM 303 CE2 PHE A 27 0.802 -2.918 32.781 1.00 21.38 C ATOM 304 CZ PHE A 27 1.849 -3.821 32.611 1.00 18.60 C ATOM 305 H PHE A 27 3.242 2.731 33.742 1.00 0.00 H ATOM 306 N ALA A 28 0.617 1.559 31.814 1.00 17.61 N ATOM 307 CA ALA A 28 -0.591 1.322 31.031 1.00 17.53 C ATOM 308 C ALA A 28 -0.542 1.983 29.664 1.00 15.71 C ATOM 309 O ALA A 28 -0.906 1.354 28.663 1.00 17.59 O ATOM 310 CB ALA A 28 -1.810 1.755 31.762 1.00 15.90 C ATOM 311 H ALA A 28 0.578 2.110 32.695 1.00 0.00 H ATOM 312 N THR A 29 -0.085 3.214 29.598 1.00 16.30 N ATOM 313 CA THR A 29 0.203 3.850 28.322 1.00 16.93 C ATOM 314 C THR A 29 1.178 3.018 27.471 1.00 16.85 C ATOM 315 O THR A 29 0.887 2.828 26.282 1.00 16.57 O ATOM 316 CB THR A 29 0.693 5.328 28.505 1.00 16.40 C ATOM 317 OG1 THR A 29 -0.263 6.038 29.284 1.00 20.44 O ATOM 318 CG2 THR A 29 0.771 6.056 27.165 1.00 16.42 C ATOM 319 HG1 THR A 29 -0.354 5.603 30.169 1.00 0.00 H ATOM 320 H THR A 29 0.074 3.745 30.478 1.00 0.00 H ATOM 321 N ARG A 30 2.340 2.555 28.000 1.00 16.60 N ATOM 322 CA ARG A 30 3.228 1.680 27.203 1.00 16.99 C ATOM 323 C ARG A 30 2.535 0.478 26.638 1.00 18.01 C ATOM 324 O ARG A 30 2.802 0.106 25.473 1.00 17.66 O ATOM 325 CB ARG A 30 4.430 1.174 27.997 1.00 16.95 C ATOM 326 CG ARG A 30 5.402 2.287 28.220 1.00 18.13 C ATOM 327 CD ARG A 30 6.757 1.684 28.557 1.00 14.75 C ATOM 328 NE ARG A 30 6.647 0.496 29.441 1.00 14.64 N ATOM 329 CZ ARG A 30 6.577 0.531 30.776 1.00 17.82 C ATOM 330 NH1 ARG A 30 6.486 1.687 31.442 1.00 17.65 N ATOM 331 NH2 ARG A 30 6.499 -0.659 31.450 1.00 19.29 N ATOM 332 HE ARG A 30 6.622 -0.438 28.985 1.00 0.00 H ATOM 333 HH12 ARG A 30 6.433 1.686 32.481 1.00 0.00 H ATOM 334 HH11 ARG A 30 6.468 2.587 30.921 1.00 0.00 H ATOM 335 HH22 ARG A 30 6.443 -0.666 32.488 1.00 0.00 H ATOM 336 HH21 ARG A 30 6.495 -1.556 30.923 1.00 0.00 H ATOM 337 H ARG A 30 2.607 2.817 28.970 1.00 0.00 H ATOM 338 N LYS A 31 1.624 -0.140 27.404 1.00 17.17 N ATOM 339 CA LYS A 31 1.100 -1.416 26.923 1.00 17.34 C ATOM 340 C LYS A 31 0.181 -1.105 25.750 1.00 16.95 C ATOM 341 O LYS A 31 0.189 -1.893 24.761 1.00 16.53 O ATOM 342 CB LYS A 31 0.291 -2.134 28.024 1.00 19.64 C ATOM 343 CG LYS A 31 1.192 -2.610 29.147 1.00 22.93 C ATOM 344 CD LYS A 31 2.176 -3.673 28.679 1.00 25.73 C ATOM 345 CE LYS A 31 3.549 -3.336 29.186 1.00 27.73 C ATOM 346 NZ LYS A 31 4.639 -4.281 28.798 1.00 28.13 N ATOM 347 HZ1 LYS A 31 4.420 -5.230 29.163 1.00 0.00 H ATOM 348 HZ2 LYS A 31 4.713 -4.316 27.761 1.00 0.00 H ATOM 349 HZ3 LYS A 31 5.540 -3.953 29.200 1.00 0.00 H ATOM 350 H LYS A 31 1.304 0.272 28.303 1.00 0.00 H ATOM 351 N VAL A 32 -0.653 -0.093 25.929 1.00 16.39 N ATOM 352 CA VAL A 32 -1.696 0.248 24.894 1.00 16.68 C ATOM 353 C VAL A 32 -1.048 0.866 23.613 1.00 17.25 C ATOM 354 O VAL A 32 -1.312 0.455 22.464 1.00 16.68 O ATOM 355 CB VAL A 32 -2.802 1.110 25.521 1.00 16.33 C ATOM 356 CG1 VAL A 32 -3.771 1.592 24.433 1.00 13.45 C ATOM 357 CG2 VAL A 32 -3.579 0.273 26.543 1.00 12.15 C ATOM 358 H VAL A 32 -0.588 0.476 26.797 1.00 0.00 H ATOM 359 N ALA A 33 -0.072 1.717 23.826 1.00 15.87 N ATOM 360 CA ALA A 33 0.759 2.285 22.722 1.00 17.13 C ATOM 361 C ALA A 33 1.528 1.231 21.983 1.00 18.88 C ATOM 362 O ALA A 33 1.583 1.260 20.771 1.00 16.76 O ATOM 363 CB ALA A 33 1.693 3.312 23.297 1.00 16.43 C ATOM 364 H ALA A 33 0.131 2.008 24.804 1.00 0.00 H ATOM 365 N GLY A 34 2.143 0.245 22.675 1.00 17.40 N ATOM 366 CA GLY A 34 2.911 -0.735 22.007 1.00 19.10 C ATOM 367 C GLY A 34 2.104 -1.693 21.155 1.00 18.57 C ATOM 368 O GLY A 34 2.664 -2.237 20.206 1.00 18.64 O ATOM 369 H GLY A 34 2.050 0.208 23.710 1.00 0.00 H ATOM 370 N MET A 35 0.805 -1.881 21.499 1.00 19.05 N ATOM 371 CA MET A 35 -0.164 -2.687 20.751 1.00 19.16 C ATOM 372 C MET A 35 -0.577 -2.023 19.398 1.00 16.31 C ATOM 373 O MET A 35 -0.879 -2.710 18.454 1.00 18.51 O ATOM 374 CB MET A 35 -1.427 -3.001 21.562 1.00 19.05 C ATOM 375 CG MET A 35 -1.133 -4.055 22.647 1.00 18.26 C ATOM 376 SD MET A 35 -0.671 -5.621 21.972 1.00 20.04 S ATOM 377 CE MET A 35 -2.107 -6.125 21.103 1.00 19.86 C ATOM 378 H MET A 35 0.469 -1.414 22.366 1.00 0.00 H ATOM 379 N ALA A 36 -0.462 -0.699 19.331 1.00 16.65 N ATOM 380 CA ALA A 36 -1.017 0.022 18.192 1.00 16.26 C ATOM 381 C ALA A 36 -0.262 -0.260 16.882 1.00 15.82 C ATOM 382 O ALA A 36 0.970 -0.509 16.861 1.00 17.19 O ATOM 383 CB ALA A 36 -1.102 1.487 18.477 1.00 16.26 C ATOM 384 H ALA A 36 0.023 -0.179 20.090 1.00 0.00 H ATOM 385 N LYS A 37 -1.028 -0.266 15.792 1.00 16.65 N ATOM 386 CA LYS A 37 -0.504 -0.435 14.430 1.00 19.37 C ATOM 387 C LYS A 37 -0.938 0.822 13.632 1.00 19.56 C ATOM 388 O LYS A 37 -1.830 0.815 12.801 1.00 17.29 O ATOM 389 CB LYS A 37 -1.011 -1.757 13.830 1.00 22.26 C ATOM 390 CG LYS A 37 -0.375 -2.956 14.566 1.00 27.38 C ATOM 391 CD LYS A 37 1.013 -3.303 14.030 1.00 33.13 C ATOM 392 CE LYS A 37 1.500 -4.632 14.612 1.00 36.34 C ATOM 393 NZ LYS A 37 2.689 -5.181 13.856 1.00 42.99 N ATOM 394 HZ1 LYS A 37 2.424 -5.339 12.863 1.00 0.00 H ATOM 395 HZ2 LYS A 37 3.473 -4.499 13.903 1.00 0.00 H ATOM 396 HZ3 LYS A 37 2.985 -6.081 14.284 1.00 0.00 H ATOM 397 H LYS A 37 -2.054 -0.144 15.912 1.00 0.00 H ATOM 398 N PRO A 38 -0.320 1.970 13.951 1.00 18.11 N ATOM 399 CA PRO A 38 -0.759 3.223 13.346 1.00 18.19 C ATOM 400 C PRO A 38 -0.552 3.277 11.837 1.00 19.45 C ATOM 401 O PRO A 38 0.355 2.638 11.277 1.00 18.75 O ATOM 402 CB PRO A 38 0.185 4.261 13.945 1.00 18.43 C ATOM 403 CG PRO A 38 1.299 3.488 14.589 1.00 17.57 C ATOM 404 CD PRO A 38 0.830 2.099 14.857 1.00 17.71 C ATOM 405 N ASN A 39 -1.403 4.092 11.242 1.00 18.31 N ATOM 406 CA ASN A 39 -1.183 4.611 9.894 1.00 19.96 C ATOM 407 C ASN A 39 -0.579 6.000 10.000 1.00 19.21 C ATOM 408 O ASN A 39 -1.021 6.837 10.813 1.00 21.51 O ATOM 409 CB ASN A 39 -2.464 4.592 9.131 1.00 24.79 C ATOM 410 CG ASN A 39 -2.725 3.221 8.498 1.00 32.11 C ATOM 411 OD1 ASN A 39 -1.993 2.250 8.706 1.00 37.13 O ATOM 412 ND2 ASN A 39 -3.733 3.153 7.742 1.00 36.77 N ATOM 413 HD22 ASN A 39 -4.327 3.993 7.591 1.00 0.00 H ATOM 414 HD21 ASN A 39 -3.970 2.257 7.270 1.00 0.00 H ATOM 415 H ASN A 39 -2.263 4.376 11.753 1.00 0.00 H ATOM 416 N MET A 40 0.430 6.293 9.203 1.00 15.65 N ATOM 417 CA MET A 40 1.033 7.604 9.370 1.00 14.58 C ATOM 418 C MET A 40 0.853 8.248 8.000 1.00 15.85 C ATOM 419 O MET A 40 1.120 7.573 6.978 1.00 17.73 O ATOM 420 CB MET A 40 2.555 7.439 9.681 1.00 17.88 C ATOM 421 CG MET A 40 3.305 8.690 9.539 1.00 18.53 C ATOM 422 SD MET A 40 4.984 8.528 10.140 1.00 22.47 S ATOM 423 CE MET A 40 5.581 7.239 9.105 1.00 21.81 C ATOM 424 H MET A 40 0.777 5.619 8.491 1.00 0.00 H ATOM 425 N ILE A 41 0.319 9.466 7.942 1.00 14.90 N ATOM 426 CA ILE A 41 -0.046 10.095 6.672 1.00 15.87 C ATOM 427 C ILE A 41 0.833 11.343 6.611 1.00 17.37 C ATOM 428 O ILE A 41 0.733 12.206 7.515 1.00 19.42 O ATOM 429 CB ILE A 41 -1.550 10.461 6.678 1.00 17.32 C ATOM 430 CG1 ILE A 41 -2.353 9.155 6.639 1.00 22.40 C ATOM 431 CG2 ILE A 41 -1.929 11.278 5.462 1.00 18.39 C ATOM 432 CD1 ILE A 41 -3.003 8.803 7.967 1.00 31.05 C ATOM 433 H ILE A 41 0.156 9.987 8.827 1.00 0.00 H ATOM 434 N ILE A 42 1.734 11.419 5.614 1.00 14.75 N ATOM 435 CA ILE A 42 2.666 12.534 5.513 1.00 15.93 C ATOM 436 C ILE A 42 2.269 13.295 4.252 1.00 16.67 C ATOM 437 O ILE A 42 2.233 12.699 3.162 1.00 16.55 O ATOM 438 CB ILE A 42 4.069 11.998 5.402 1.00 13.97 C ATOM 439 CG1 ILE A 42 4.340 11.148 6.695 1.00 13.45 C ATOM 440 CG2 ILE A 42 5.112 13.131 5.202 1.00 14.80 C ATOM 441 CD1 ILE A 42 5.857 10.700 6.796 1.00 16.17 C ATOM 442 H ILE A 42 1.766 10.664 4.899 1.00 0.00 H ATOM 443 N SER A 43 2.135 14.616 4.378 1.00 14.90 N ATOM 444 CA SER A 43 1.853 15.436 3.178 1.00 15.41 C ATOM 445 C SER A 43 2.631 16.726 3.253 1.00 15.46 C ATOM 446 O SER A 43 3.097 17.142 4.339 1.00 14.80 O ATOM 447 CB SER A 43 0.352 15.704 3.133 1.00 17.05 C ATOM 448 OG SER A 43 -0.049 16.352 4.303 1.00 20.74 O ATOM 449 HG SER A 43 0.158 15.779 5.084 1.00 0.00 H ATOM 450 H SER A 43 2.228 15.066 5.311 1.00 0.00 H ATOM 451 N VAL A 44 2.739 17.400 2.083 1.00 16.68 N ATOM 452 CA VAL A 44 3.586 18.596 1.983 1.00 19.88 C ATOM 453 C VAL A 44 2.708 19.588 1.230 1.00 19.43 C ATOM 454 O VAL A 44 2.096 19.214 0.185 1.00 21.45 O ATOM 455 CB VAL A 44 4.966 18.350 1.346 1.00 19.94 C ATOM 456 CG1 VAL A 44 5.776 19.648 1.329 1.00 23.22 C ATOM 457 CG2 VAL A 44 5.717 17.346 2.181 1.00 22.97 C ATOM 458 H VAL A 44 2.217 17.067 1.247 1.00 0.00 H ATOM 459 N ASN A 45 2.570 20.788 1.770 1.00 19.15 N ATOM 460 CA ASN A 45 1.825 21.892 1.080 1.00 18.50 C ATOM 461 C ASN A 45 2.694 23.161 1.194 1.00 22.12 C ATOM 462 O ASN A 45 2.945 23.704 2.300 1.00 19.57 O ATOM 463 CB ASN A 45 0.453 21.993 1.728 1.00 18.15 C ATOM 464 CG ASN A 45 -0.464 22.983 1.056 1.00 17.72 C ATOM 465 OD1 ASN A 45 -1.783 22.800 1.065 1.00 21.39 O ATOM 466 ND2 ASN A 45 0.106 24.086 0.649 1.00 17.04 N ATOM 467 HD22 ASN A 45 1.142 24.172 0.665 1.00 0.00 H ATOM 468 HD21 ASN A 45 -0.477 24.878 0.309 1.00 0.00 H ATOM 469 H ASN A 45 2.992 20.972 2.703 1.00 0.00 H ATOM 470 N GLY A 46 3.273 23.629 0.073 1.00 25.22 N ATOM 471 CA GLY A 46 4.239 24.718 0.157 1.00 24.31 C ATOM 472 C GLY A 46 5.343 24.284 1.064 1.00 22.53 C ATOM 473 O GLY A 46 5.923 23.251 0.828 1.00 25.26 O ATOM 474 H GLY A 46 3.032 23.215 -0.850 1.00 0.00 H ATOM 475 N ASP A 47 5.634 25.079 2.106 1.00 19.65 N ATOM 476 CA ASP A 47 6.812 24.840 3.022 1.00 19.78 C ATOM 477 C ASP A 47 6.399 24.058 4.251 1.00 19.31 C ATOM 478 O ASP A 47 7.200 23.895 5.185 1.00 16.89 O ATOM 479 CB ASP A 47 7.246 26.173 3.531 1.00 25.68 C ATOM 480 CG ASP A 47 8.096 26.951 2.534 1.00 32.65 C ATOM 481 OD1 ASP A 47 8.713 26.348 1.595 1.00 30.65 O ATOM 482 OD2 ASP A 47 8.167 28.183 2.776 1.00 41.00 O ATOM 483 H ASP A 47 5.020 25.898 2.291 1.00 0.00 H ATOM 484 N VAL A 48 5.093 23.748 4.309 1.00 16.27 N ATOM 485 CA VAL A 48 4.492 23.119 5.532 1.00 16.27 C ATOM 486 C VAL A 48 4.415 21.609 5.338 1.00 15.75 C ATOM 487 O VAL A 48 3.718 21.121 4.415 1.00 17.14 O ATOM 488 CB VAL A 48 3.080 23.687 5.902 1.00 17.11 C ATOM 489 CG1 VAL A 48 2.599 22.994 7.182 1.00 16.04 C ATOM 490 CG2 VAL A 48 3.110 25.207 6.097 1.00 16.50 C ATOM 491 H VAL A 48 4.486 23.948 3.489 1.00 0.00 H ATOM 492 N ILE A 49 4.948 20.839 6.288 1.00 12.19 N ATOM 493 CA ILE A 49 4.878 19.391 6.172 1.00 13.49 C ATOM 494 C ILE A 49 3.892 18.969 7.299 1.00 13.35 C ATOM 495 O ILE A 49 3.919 19.536 8.417 1.00 13.73 O ATOM 496 CB ILE A 49 6.266 18.784 6.506 1.00 13.89 C ATOM 497 CG1 ILE A 49 7.306 19.284 5.487 1.00 15.86 C ATOM 498 CG2 ILE A 49 6.201 17.238 6.509 1.00 15.33 C ATOM 499 CD1 ILE A 49 8.752 18.796 5.804 1.00 19.13 C ATOM 500 H ILE A 49 5.413 21.274 7.111 1.00 0.00 H ATOM 501 N THR A 50 3.014 18.035 6.986 1.00 14.09 N ATOM 502 CA THR A 50 2.027 17.556 8.014 1.00 14.20 C ATOM 503 C THR A 50 2.329 16.075 8.214 1.00 14.51 C ATOM 504 O THR A 50 2.471 15.300 7.224 1.00 15.05 O ATOM 505 CB THR A 50 0.547 17.782 7.582 1.00 14.16 C ATOM 506 OG1 THR A 50 0.271 19.190 7.459 1.00 17.39 O ATOM 507 CG2 THR A 50 -0.373 17.250 8.570 1.00 16.51 C ATOM 508 HG1 THR A 50 -0.672 19.318 7.184 1.00 0.00 H ATOM 509 H THR A 50 3.005 17.630 6.028 1.00 0.00 H ATOM 510 N ILE A 51 2.430 15.639 9.495 1.00 13.77 N ATOM 511 CA ILE A 51 2.548 14.184 9.813 1.00 14.08 C ATOM 512 C ILE A 51 1.363 13.818 10.703 1.00 15.39 C ATOM 513 O ILE A 51 1.253 14.309 11.812 1.00 15.76 O ATOM 514 CB ILE A 51 3.861 13.795 10.498 1.00 15.06 C ATOM 515 CG1 ILE A 51 5.008 14.146 9.533 1.00 14.55 C ATOM 516 CG2 ILE A 51 3.894 12.260 10.820 1.00 14.68 C ATOM 517 CD1 ILE A 51 6.393 13.958 10.164 1.00 16.47 C ATOM 518 H ILE A 51 2.425 16.331 10.271 1.00 0.00 H ATOM 519 N LYS A 52 0.494 12.940 10.224 1.00 16.16 N ATOM 520 CA LYS A 52 -0.635 12.516 11.046 1.00 17.51 C ATOM 521 C LYS A 52 -0.420 11.054 11.404 1.00 20.55 C ATOM 522 O LYS A 52 0.130 10.288 10.586 1.00 22.51 O ATOM 523 CB LYS A 52 -1.978 12.592 10.292 1.00 20.65 C ATOM 524 CG LYS A 52 -2.556 13.919 9.899 1.00 31.19 C ATOM 525 CD LYS A 52 -3.920 13.579 9.214 1.00 32.12 C ATOM 526 CE LYS A 52 -4.791 12.676 10.055 1.00 38.21 C ATOM 527 NZ LYS A 52 -6.278 12.775 9.802 1.00 43.57 N ATOM 528 HZ1 LYS A 52 -6.597 13.747 9.992 1.00 0.00 H ATOM 529 HZ2 LYS A 52 -6.477 12.531 8.811 1.00 0.00 H ATOM 530 HZ3 LYS A 52 -6.780 12.115 10.430 1.00 0.00 H ATOM 531 H LYS A 52 0.616 12.554 9.266 1.00 0.00 H ATOM 532 N SER A 53 -0.821 10.655 12.620 1.00 18.00 N ATOM 533 CA SER A 53 -0.734 9.241 13.036 1.00 16.91 C ATOM 534 C SER A 53 -2.197 8.929 13.430 1.00 18.68 C ATOM 535 O SER A 53 -2.790 9.689 14.240 1.00 20.66 O ATOM 536 CB SER A 53 0.109 9.073 14.262 1.00 17.78 C ATOM 537 OG SER A 53 0.138 7.677 14.447 1.00 20.97 O ATOM 538 HG SER A 53 0.539 7.248 13.650 1.00 0.00 H ATOM 539 H SER A 53 -1.202 11.358 13.285 1.00 0.00 H ATOM 540 N GLU A 54 -2.723 7.852 12.901 1.00 17.31 N ATOM 541 CA GLU A 54 -4.058 7.464 13.267 1.00 20.08 C ATOM 542 C GLU A 54 -3.977 6.061 13.824 1.00 18.36 C ATOM 543 O GLU A 54 -3.408 5.211 13.127 1.00 20.79 O ATOM 544 CB GLU A 54 -5.011 7.416 12.050 1.00 25.49 C ATOM 545 CG GLU A 54 -5.221 8.721 11.334 1.00 35.20 C ATOM 546 CD GLU A 54 -6.640 8.786 10.753 1.00 45.34 C ATOM 547 OE1 GLU A 54 -7.168 7.726 10.258 1.00 44.70 O ATOM 548 OE2 GLU A 54 -7.237 9.895 10.841 1.00 52.48 O ATOM 549 H GLU A 54 -2.179 7.282 12.222 1.00 0.00 H ATOM 550 N SER A 55 -4.563 5.790 14.987 1.00 17.89 N ATOM 551 CA SER A 55 -4.518 4.403 15.411 1.00 19.08 C ATOM 552 C SER A 55 -5.593 4.217 16.414 1.00 20.01 C ATOM 553 O SER A 55 -6.283 5.185 16.869 1.00 21.47 O ATOM 554 CB SER A 55 -3.169 4.007 16.041 1.00 18.71 C ATOM 555 OG SER A 55 -2.887 4.702 17.212 1.00 18.61 O ATOM 556 HG SER A 55 -2.854 5.672 17.019 1.00 0.00 H ATOM 557 H SER A 55 -5.025 6.527 15.557 1.00 0.00 H ATOM 558 N THR A 56 -5.681 2.983 16.878 1.00 23.62 N ATOM 559 CA THR A 56 -6.609 2.720 18.020 1.00 24.28 C ATOM 560 C THR A 56 -6.107 3.374 19.315 1.00 24.84 C ATOM 561 O THR A 56 -6.934 3.614 20.186 1.00 33.98 O ATOM 562 CB THR A 56 -6.683 1.184 18.309 1.00 25.64 C ATOM 563 OG1 THR A 56 -5.345 0.678 18.542 1.00 31.64 O ATOM 564 CG2 THR A 56 -7.304 0.560 17.118 1.00 26.33 C ATOM 565 HG1 THR A 56 -5.388 -0.294 18.725 1.00 0.00 H ATOM 566 H THR A 56 -5.119 2.214 16.459 1.00 0.00 H ATOM 567 N PHE A 57 -4.777 3.624 19.476 1.00 24.89 N ATOM 568 CA PHE A 57 -4.218 4.301 20.689 1.00 22.94 C ATOM 569 C PHE A 57 -4.614 5.777 20.735 1.00 29.50 C ATOM 570 O PHE A 57 -5.291 6.289 21.670 1.00 25.73 O ATOM 571 CB PHE A 57 -2.660 4.173 20.713 1.00 20.57 C ATOM 572 CG PHE A 57 -1.987 4.933 21.782 1.00 21.94 C ATOM 573 CD1 PHE A 57 -2.493 4.981 23.082 1.00 24.57 C ATOM 574 CD2 PHE A 57 -0.824 5.559 21.517 1.00 22.74 C ATOM 575 CE1 PHE A 57 -1.763 5.651 24.092 1.00 22.13 C ATOM 576 CE2 PHE A 57 -0.119 6.286 22.462 1.00 23.69 C ATOM 577 CZ PHE A 57 -0.585 6.300 23.771 1.00 24.42 C ATOM 578 H PHE A 57 -4.122 3.332 18.723 1.00 0.00 H ATOM 579 N LYS A 58 -4.213 6.493 19.703 1.00 27.44 N ATOM 580 CA LYS A 58 -4.331 7.941 19.736 1.00 31.03 C ATOM 581 C LYS A 58 -4.266 8.391 18.304 1.00 32.36 C ATOM 582 O LYS A 58 -3.580 7.754 17.450 1.00 30.03 O ATOM 583 CB LYS A 58 -3.092 8.487 20.371 1.00 31.93 C ATOM 584 CG LYS A 58 -3.291 9.601 21.330 1.00 36.65 C ATOM 585 CD LYS A 58 -3.581 8.871 22.616 1.00 40.88 C ATOM 586 CE LYS A 58 -3.678 9.821 23.787 1.00 49.63 C ATOM 587 NZ LYS A 58 -4.618 9.233 24.767 1.00 54.72 N ATOM 588 HZ1 LYS A 58 -5.550 9.111 24.322 1.00 0.00 H ATOM 589 HZ2 LYS A 58 -4.258 8.309 25.079 1.00 0.00 H ATOM 590 HZ3 LYS A 58 -4.705 9.868 25.586 1.00 0.00 H ATOM 591 H LYS A 58 -3.813 6.022 18.867 1.00 0.00 H ATOM 592 N ASN A 59 -4.951 9.476 18.020 1.00 23.51 N ATOM 593 CA ASN A 59 -4.749 10.158 16.720 1.00 22.21 C ATOM 594 C ASN A 59 -3.927 11.433 16.997 1.00 23.67 C ATOM 595 O ASN A 59 -4.243 12.157 17.982 1.00 23.07 O ATOM 596 CB ASN A 59 -6.088 10.506 16.112 1.00 26.21 C ATOM 597 CG ASN A 59 -6.854 9.288 15.755 1.00 26.44 C ATOM 598 OD1 ASN A 59 -6.259 8.248 15.507 1.00 25.09 O ATOM 599 ND2 ASN A 59 -8.173 9.346 15.916 1.00 34.38 N ATOM 600 HD22 ASN A 59 -8.632 10.255 16.126 1.00 0.00 H ATOM 601 HD21 ASN A 59 -8.746 8.482 15.832 1.00 0.00 H ATOM 602 H ASN A 59 -5.634 9.855 18.707 1.00 0.00 H ATOM 603 N THR A 60 -2.823 11.666 16.260 1.00 17.54 N ATOM 604 CA THR A 60 -2.071 12.900 16.498 1.00 19.52 C ATOM 605 C THR A 60 -1.859 13.550 15.133 1.00 18.16 C ATOM 606 O THR A 60 -2.017 12.902 14.103 1.00 16.53 O ATOM 607 CB THR A 60 -0.638 12.630 17.085 1.00 16.69 C ATOM 608 OG1 THR A 60 0.050 11.698 16.250 1.00 20.78 O ATOM 609 CG2 THR A 60 -0.629 12.077 18.559 1.00 21.27 C ATOM 610 HG1 THR A 60 0.132 12.072 15.337 1.00 0.00 H ATOM 611 H THR A 60 -2.512 10.985 15.538 1.00 0.00 H ATOM 612 N GLU A 61 -1.577 14.847 15.141 1.00 17.13 N ATOM 613 CA GLU A 61 -1.240 15.522 13.882 1.00 18.45 C ATOM 614 C GLU A 61 -0.336 16.679 14.174 1.00 16.13 C ATOM 615 O GLU A 61 -0.627 17.431 15.149 1.00 16.91 O ATOM 616 CB GLU A 61 -2.516 15.970 13.163 1.00 19.59 C ATOM 617 CG GLU A 61 -2.233 16.935 12.048 1.00 25.20 C ATOM 618 CD GLU A 61 -3.560 17.358 11.420 1.00 38.34 C ATOM 619 OE1 GLU A 61 -3.579 18.409 10.763 1.00 38.12 O ATOM 620 OE2 GLU A 61 -4.606 16.665 11.646 1.00 40.91 O ATOM 621 H GLU A 61 -1.595 15.381 16.033 1.00 0.00 H ATOM 622 N ILE A 62 0.840 16.711 13.526 1.00 14.51 N ATOM 623 CA ILE A 62 1.638 17.834 13.637 1.00 14.01 C ATOM 624 C ILE A 62 1.847 18.479 12.208 1.00 13.28 C ATOM 625 O ILE A 62 1.972 17.775 11.151 1.00 14.04 O ATOM 626 CB ILE A 62 3.022 17.513 14.281 1.00 14.72 C ATOM 627 CG1 ILE A 62 3.684 16.445 13.512 1.00 14.37 C ATOM 628 CG2 ILE A 62 2.800 17.191 15.752 1.00 15.04 C ATOM 629 CD1 ILE A 62 5.167 16.189 13.873 1.00 15.91 C ATOM 630 H ILE A 62 1.146 15.902 12.949 1.00 0.00 H ATOM 631 N SER A 63 1.886 19.818 12.200 1.00 14.23 N ATOM 632 CA SER A 63 2.269 20.541 10.987 1.00 13.72 C ATOM 633 C SER A 63 3.439 21.506 11.354 1.00 15.12 C ATOM 634 O SER A 63 3.440 22.144 12.411 1.00 16.60 O ATOM 635 CB SER A 63 1.146 21.384 10.380 1.00 18.78 C ATOM 636 OG SER A 63 0.128 20.514 9.965 1.00 14.72 O ATOM 637 HG SER A 63 0.488 19.885 9.290 1.00 0.00 H ATOM 638 H SER A 63 1.642 20.347 13.062 1.00 0.00 H ATOM 639 N PHE A 64 4.376 21.596 10.466 1.00 13.98 N ATOM 640 CA PHE A 64 5.569 22.360 10.793 1.00 13.98 C ATOM 641 C PHE A 64 6.312 22.773 9.541 1.00 14.09 C ATOM 642 O PHE A 64 6.116 22.254 8.426 1.00 13.34 O ATOM 643 CB PHE A 64 6.473 21.448 11.710 1.00 13.88 C ATOM 644 CG PHE A 64 6.835 20.135 11.079 1.00 13.53 C ATOM 645 CD1 PHE A 64 5.963 19.018 11.184 1.00 13.41 C ATOM 646 CD2 PHE A 64 8.012 20.050 10.309 1.00 14.03 C ATOM 647 CE1 PHE A 64 6.223 17.831 10.530 1.00 14.10 C ATOM 648 CE2 PHE A 64 8.333 18.826 9.654 1.00 16.58 C ATOM 649 CZ PHE A 64 7.482 17.713 9.782 1.00 14.74 C ATOM 650 H PHE A 64 4.278 21.133 9.540 1.00 0.00 H ATOM 651 N ILE A 65 7.281 23.660 9.751 1.00 14.53 N ATOM 652 CA ILE A 65 8.146 24.114 8.696 1.00 14.87 C ATOM 653 C ILE A 65 9.561 23.678 9.148 1.00 13.58 C ATOM 654 O ILE A 65 9.891 23.743 10.299 1.00 15.85 O ATOM 655 CB ILE A 65 8.037 25.675 8.594 1.00 14.10 C ATOM 656 CG1 ILE A 65 6.596 26.040 8.063 1.00 15.59 C ATOM 657 CG2 ILE A 65 9.129 26.126 7.662 1.00 14.49 C ATOM 658 CD1 ILE A 65 6.479 27.568 8.048 1.00 20.40 C ATOM 659 H ILE A 65 7.417 24.038 10.710 1.00 0.00 H ATOM 660 N LEU A 66 10.311 23.092 8.266 1.00 13.83 N ATOM 661 CA LEU A 66 11.678 22.620 8.628 1.00 13.02 C ATOM 662 C LEU A 66 12.506 23.698 9.283 1.00 14.02 C ATOM 663 O LEU A 66 12.585 24.827 8.810 1.00 15.70 O ATOM 664 CB LEU A 66 12.385 22.100 7.386 1.00 14.56 C ATOM 665 CG LEU A 66 11.761 20.855 6.784 1.00 15.41 C ATOM 666 CD1 LEU A 66 12.430 20.648 5.467 1.00 20.41 C ATOM 667 CD2 LEU A 66 11.836 19.608 7.709 1.00 16.41 C ATOM 668 H LEU A 66 9.956 22.950 7.299 1.00 0.00 H ATOM 669 N GLY A 67 13.191 23.317 10.340 1.00 14.54 N ATOM 670 CA GLY A 67 14.032 24.188 11.165 1.00 16.45 C ATOM 671 C GLY A 67 13.354 25.207 12.049 1.00 15.50 C ATOM 672 O GLY A 67 14.053 25.953 12.776 1.00 16.77 O ATOM 673 H GLY A 67 13.130 22.315 10.612 1.00 0.00 H ATOM 674 N GLN A 68 11.989 25.212 12.137 1.00 13.36 N ATOM 675 CA GLN A 68 11.280 26.163 12.950 1.00 16.21 C ATOM 676 C GLN A 68 10.571 25.431 14.098 1.00 17.61 C ATOM 677 O GLN A 68 9.605 24.638 13.847 1.00 17.45 O ATOM 678 CB GLN A 68 10.216 26.913 12.128 1.00 15.72 C ATOM 679 CG GLN A 68 10.930 27.522 10.916 1.00 19.11 C ATOM 680 CD GLN A 68 10.137 28.560 10.182 1.00 20.73 C ATOM 681 OE1 GLN A 68 8.945 28.861 10.502 1.00 24.36 O ATOM 682 NE2 GLN A 68 10.798 29.131 9.145 1.00 21.19 N ATOM 683 HE22 GLN A 68 11.774 28.844 8.930 1.00 0.00 H ATOM 684 HE21 GLN A 68 10.329 29.856 8.565 1.00 0.00 H ATOM 685 H GLN A 68 11.447 24.506 11.599 1.00 0.00 H ATOM 686 N GLU A 69 10.995 25.771 15.330 1.00 17.81 N ATOM 687 CA GLU A 69 10.524 25.056 16.552 1.00 15.35 C ATOM 688 C GLU A 69 9.001 25.242 16.656 1.00 17.11 C ATOM 689 O GLU A 69 8.394 26.340 16.349 1.00 18.26 O ATOM 690 CB GLU A 69 11.265 25.650 17.769 1.00 18.70 C ATOM 691 CG GLU A 69 11.156 24.806 19.020 1.00 23.71 C ATOM 692 CD GLU A 69 11.921 25.419 20.154 1.00 27.82 C ATOM 693 OE1 GLU A 69 11.600 26.574 20.420 1.00 32.31 O ATOM 694 OE2 GLU A 69 12.833 24.748 20.671 1.00 33.82 O ATOM 695 H GLU A 69 11.671 26.555 15.433 1.00 0.00 H ATOM 696 N PHE A 70 8.397 24.214 17.175 1.00 14.40 N ATOM 697 CA PHE A 70 6.979 24.240 17.494 1.00 14.10 C ATOM 698 C PHE A 70 6.672 23.512 18.789 1.00 17.06 C ATOM 699 O PHE A 70 7.440 22.688 19.244 1.00 15.28 O ATOM 700 CB PHE A 70 6.169 23.665 16.282 1.00 12.88 C ATOM 701 CG PHE A 70 6.507 22.214 15.929 1.00 14.97 C ATOM 702 CD1 PHE A 70 7.631 21.894 15.106 1.00 12.83 C ATOM 703 CD2 PHE A 70 5.691 21.182 16.356 1.00 14.85 C ATOM 704 CE1 PHE A 70 7.912 20.557 14.783 1.00 13.96 C ATOM 705 CE2 PHE A 70 5.971 19.849 16.044 1.00 15.34 C ATOM 706 CZ PHE A 70 7.082 19.527 15.240 1.00 15.60 C ATOM 707 H PHE A 70 8.943 23.350 17.367 1.00 0.00 H ATOM 708 N ASP A 71 5.395 23.702 19.209 1.00 15.11 N ATOM 709 CA ASP A 71 4.856 22.959 20.383 1.00 19.56 C ATOM 710 C ASP A 71 4.161 21.750 19.977 1.00 18.49 C ATOM 711 O ASP A 71 3.441 21.800 19.015 1.00 20.72 O ATOM 712 CB ASP A 71 3.777 23.800 21.070 1.00 21.62 C ATOM 713 CG ASP A 71 4.331 25.051 21.653 1.00 23.50 C ATOM 714 OD1 ASP A 71 5.252 24.887 22.482 1.00 28.51 O ATOM 715 OD2 ASP A 71 3.849 26.224 21.299 1.00 26.90 O ATOM 716 H ASP A 71 4.784 24.376 18.704 1.00 0.00 H ATOM 717 N GLU A 72 4.379 20.625 20.682 1.00 17.20 N ATOM 718 CA GLU A 72 3.805 19.375 20.272 1.00 18.10 C ATOM 719 C GLU A 72 3.338 18.680 21.587 1.00 18.37 C ATOM 720 O GLU A 72 4.032 18.737 22.595 1.00 19.37 O ATOM 721 CB GLU A 72 4.842 18.474 19.584 1.00 16.06 C ATOM 722 CG GLU A 72 4.330 17.082 19.223 1.00 19.07 C ATOM 723 CD GLU A 72 5.356 16.247 18.556 1.00 17.41 C ATOM 724 OE1 GLU A 72 6.600 16.615 18.555 1.00 18.48 O ATOM 725 OE2 GLU A 72 4.973 15.136 18.103 1.00 19.59 O ATOM 726 H GLU A 72 4.972 20.662 21.536 1.00 0.00 H ATOM 727 N VAL A 73 2.088 18.229 21.563 1.00 19.55 N ATOM 728 CA VAL A 73 1.644 17.267 22.597 1.00 20.18 C ATOM 729 C VAL A 73 1.768 15.890 21.951 1.00 19.37 C ATOM 730 O VAL A 73 1.046 15.495 21.009 1.00 21.26 O ATOM 731 CB VAL A 73 0.186 17.579 23.104 1.00 22.74 C ATOM 732 CG1 VAL A 73 -0.250 16.548 24.142 1.00 24.22 C ATOM 733 CG2 VAL A 73 0.175 18.944 23.701 1.00 25.19 C ATOM 734 H VAL A 73 1.428 18.549 20.825 1.00 0.00 H ATOM 735 N THR A 74 2.633 15.065 22.529 1.00 16.66 N ATOM 736 CA THR A 74 2.908 13.768 21.927 1.00 17.90 C ATOM 737 C THR A 74 1.787 12.739 22.276 1.00 17.89 C ATOM 738 O THR A 74 0.963 12.956 23.163 1.00 20.77 O ATOM 739 CB THR A 74 4.265 13.218 22.413 1.00 16.93 C ATOM 740 OG1 THR A 74 4.245 13.028 23.843 1.00 18.30 O ATOM 741 CG2 THR A 74 5.408 14.185 22.114 1.00 18.94 C ATOM 742 HG1 THR A 74 5.121 12.675 24.140 1.00 0.00 H ATOM 743 H THR A 74 3.112 15.344 23.409 1.00 0.00 H ATOM 744 N ALA A 75 1.832 11.607 21.614 1.00 16.78 N ATOM 745 CA ALA A 75 0.788 10.566 21.744 1.00 19.15 C ATOM 746 C ALA A 75 0.767 10.052 23.225 1.00 20.04 C ATOM 747 O ALA A 75 -0.329 9.730 23.746 1.00 21.31 O ATOM 748 CB ALA A 75 1.065 9.408 20.816 1.00 19.26 C ATOM 749 H ALA A 75 2.633 11.435 20.973 1.00 0.00 H ATOM 750 N ASP A 76 1.949 10.032 23.842 1.00 19.24 N ATOM 751 CA ASP A 76 2.065 9.612 25.276 1.00 19.44 C ATOM 752 C ASP A 76 1.837 10.788 26.266 1.00 24.51 C ATOM 753 O ASP A 76 2.116 10.669 27.497 1.00 25.31 O ATOM 754 CB ASP A 76 3.454 8.982 25.571 1.00 20.18 C ATOM 755 CG ASP A 76 4.617 9.932 25.299 1.00 20.41 C ATOM 756 OD1 ASP A 76 4.706 10.485 24.181 1.00 20.65 O ATOM 757 OD2 ASP A 76 5.479 10.119 26.196 1.00 21.11 O ATOM 758 H ASP A 76 2.804 10.312 23.320 1.00 0.00 H ATOM 759 N ASP A 77 1.336 11.917 25.747 1.00 23.98 N ATOM 760 CA ASP A 77 0.978 13.081 26.557 1.00 25.69 C ATOM 761 C ASP A 77 2.126 13.866 27.177 1.00 25.07 C ATOM 762 O ASP A 77 1.984 14.513 28.248 1.00 26.99 O ATOM 763 CB ASP A 77 -0.094 12.700 27.620 1.00 27.14 C ATOM 764 CG ASP A 77 -1.234 13.630 27.595 1.00 31.08 C ATOM 765 OD1 ASP A 77 -1.477 14.178 26.503 1.00 34.39 O ATOM 766 OD2 ASP A 77 -1.878 13.856 28.653 1.00 29.49 O ATOM 767 H ASP A 77 1.195 11.968 24.718 1.00 0.00 H ATOM 768 N ARG A 78 3.287 13.839 26.535 1.00 19.21 N ATOM 769 CA ARG A 78 4.258 14.825 26.921 1.00 16.98 C ATOM 770 C ARG A 78 3.946 16.148 26.205 1.00 20.37 C ATOM 771 O ARG A 78 3.463 16.157 25.018 1.00 22.15 O ATOM 772 CB ARG A 78 5.660 14.395 26.569 1.00 17.15 C ATOM 773 CG ARG A 78 6.300 13.385 27.518 1.00 18.89 C ATOM 774 CD ARG A 78 7.583 12.787 26.949 1.00 18.76 C ATOM 775 NE ARG A 78 7.336 12.018 25.732 1.00 18.49 N ATOM 776 CZ ARG A 78 7.896 12.251 24.558 1.00 16.39 C ATOM 777 NH1 ARG A 78 8.862 13.120 24.439 1.00 15.04 N ATOM 778 NH2 ARG A 78 7.533 11.550 23.510 1.00 16.66 N ATOM 779 HE ARG A 78 6.667 11.225 25.794 1.00 0.00 H ATOM 780 HH12 ARG A 78 9.294 13.293 23.509 1.00 0.00 H ATOM 781 HH11 ARG A 78 9.200 13.639 25.274 1.00 0.00 H ATOM 782 HH22 ARG A 78 7.973 11.732 22.585 1.00 0.00 H ATOM 783 HH21 ARG A 78 6.806 10.813 23.604 1.00 0.00 H ATOM 784 H ARG A 78 3.484 13.140 25.791 1.00 0.00 H ATOM 785 N LYS A 79 4.210 17.266 26.898 1.00 18.65 N ATOM 786 CA LYS A 79 4.168 18.605 26.218 1.00 17.41 C ATOM 787 C LYS A 79 5.634 19.026 25.943 1.00 17.57 C ATOM 788 O LYS A 79 6.433 19.255 26.899 1.00 19.59 O ATOM 789 CB LYS A 79 3.434 19.625 27.133 1.00 18.88 C ATOM 790 CG LYS A 79 1.897 19.441 27.158 1.00 19.21 C ATOM 791 CD LYS A 79 1.391 18.265 27.967 1.00 24.97 C ATOM 792 CE LYS A 79 -0.139 18.314 28.075 1.00 25.06 C ATOM 793 NZ LYS A 79 -0.754 16.989 28.361 1.00 25.51 N ATOM 794 HZ1 LYS A 79 -0.515 16.325 27.597 1.00 0.00 H ATOM 795 HZ2 LYS A 79 -0.388 16.626 29.264 1.00 0.00 H ATOM 796 HZ3 LYS A 79 -1.787 17.093 28.421 1.00 0.00 H ATOM 797 H LYS A 79 4.445 17.206 27.909 1.00 0.00 H ATOM 798 N VAL A 80 6.036 19.038 24.648 1.00 16.27 N ATOM 799 CA VAL A 80 7.488 19.181 24.268 1.00 15.34 C ATOM 800 C VAL A 80 7.678 20.324 23.286 1.00 16.17 C ATOM 801 O VAL A 80 6.723 20.807 22.678 1.00 18.60 O ATOM 802 CB VAL A 80 8.094 17.852 23.637 1.00 15.16 C ATOM 803 CG1 VAL A 80 7.822 16.611 24.553 1.00 19.37 C ATOM 804 CG2 VAL A 80 7.508 17.521 22.241 1.00 18.07 C ATOM 805 H VAL A 80 5.323 18.946 23.896 1.00 0.00 H ATOM 806 N LYS A 81 8.896 20.802 23.172 1.00 16.43 N ATOM 807 CA LYS A 81 9.204 21.761 22.118 1.00 17.21 C ATOM 808 C LYS A 81 9.967 20.971 21.057 1.00 15.66 C ATOM 809 O LYS A 81 10.933 20.278 21.363 1.00 15.76 O ATOM 810 CB LYS A 81 10.138 22.820 22.668 1.00 19.65 C ATOM 811 CG LYS A 81 9.508 23.792 23.640 1.00 25.85 C ATOM 812 CD LYS A 81 8.199 24.437 23.155 1.00 30.60 C ATOM 813 CE LYS A 81 7.764 25.448 24.237 1.00 33.49 C ATOM 814 NZ LYS A 81 7.027 26.552 23.584 1.00 32.32 N ATOM 815 HZ1 LYS A 81 7.647 27.019 22.892 1.00 0.00 H ATOM 816 HZ2 LYS A 81 6.190 26.170 23.100 1.00 0.00 H ATOM 817 HZ3 LYS A 81 6.728 27.241 24.303 1.00 0.00 H ATOM 818 H LYS A 81 9.639 20.497 23.832 1.00 0.00 H ATOM 819 N SER A 82 9.482 21.020 19.829 1.00 15.34 N ATOM 820 CA SER A 82 10.028 20.112 18.787 1.00 14.75 C ATOM 821 C SER A 82 10.648 20.891 17.654 1.00 14.93 C ATOM 822 O SER A 82 10.214 21.959 17.310 1.00 14.64 O ATOM 823 CB SER A 82 8.896 19.250 18.201 1.00 15.02 C ATOM 824 OG SER A 82 8.617 18.293 19.197 1.00 15.56 O ATOM 825 HG SER A 82 7.890 17.697 18.886 1.00 0.00 H ATOM 826 H SER A 82 8.723 21.690 19.593 1.00 0.00 H ATOM 827 N THR A 83 11.718 20.366 17.079 1.00 14.26 N ATOM 828 CA THR A 83 12.255 20.948 15.845 1.00 14.61 C ATOM 829 C THR A 83 12.532 19.821 14.914 1.00 15.39 C ATOM 830 O THR A 83 13.191 18.850 15.308 1.00 16.21 O ATOM 831 CB THR A 83 13.505 21.770 16.085 1.00 16.00 C ATOM 832 OG1 THR A 83 13.243 22.765 17.118 1.00 15.69 O ATOM 833 CG2 THR A 83 13.979 22.494 14.756 1.00 17.28 C ATOM 834 HG1 THR A 83 12.983 22.308 17.957 1.00 0.00 H ATOM 835 H THR A 83 12.180 19.537 17.504 1.00 0.00 H ATOM 836 N ILE A 84 12.019 19.953 13.679 1.00 14.89 N ATOM 837 CA ILE A 84 12.283 18.919 12.624 1.00 13.54 C ATOM 838 C ILE A 84 13.103 19.530 11.500 1.00 15.28 C ATOM 839 O ILE A 84 12.761 20.635 11.042 1.00 15.07 O ATOM 840 CB ILE A 84 10.977 18.328 12.087 1.00 12.90 C ATOM 841 CG1 ILE A 84 10.318 17.606 13.252 1.00 13.12 C ATOM 842 CG2 ILE A 84 11.249 17.293 11.056 1.00 15.14 C ATOM 843 CD1 ILE A 84 8.816 17.194 13.001 1.00 11.41 C ATOM 844 H ILE A 84 11.432 20.781 13.452 1.00 0.00 H ATOM 845 N THR A 85 14.237 18.859 11.185 1.00 14.55 N ATOM 846 CA THR A 85 15.082 19.266 10.068 1.00 15.70 C ATOM 847 C THR A 85 15.229 18.112 9.082 1.00 16.17 C ATOM 848 O THR A 85 15.012 16.916 9.380 1.00 16.91 O ATOM 849 CB THR A 85 16.482 19.733 10.562 1.00 16.96 C ATOM 850 OG1 THR A 85 17.020 18.685 11.310 1.00 18.94 O ATOM 851 CG2 THR A 85 16.394 21.027 11.457 1.00 18.26 C ATOM 852 HG1 THR A 85 16.425 18.489 12.077 1.00 0.00 H ATOM 853 H THR A 85 14.512 18.033 11.754 1.00 0.00 H ATOM 854 N LEU A 86 15.684 18.452 7.867 1.00 18.28 N ATOM 855 CA LEU A 86 16.061 17.401 6.924 1.00 19.75 C ATOM 856 C LEU A 86 17.539 17.472 6.833 1.00 25.29 C ATOM 857 O LEU A 86 18.038 18.459 6.280 1.00 32.67 O ATOM 858 CB LEU A 86 15.463 17.777 5.586 1.00 24.01 C ATOM 859 CG LEU A 86 14.634 16.839 4.725 1.00 29.85 C ATOM 860 CD1 LEU A 86 14.812 17.361 3.299 1.00 28.20 C ATOM 861 CD2 LEU A 86 14.816 15.323 4.853 1.00 25.12 C ATOM 862 H LEU A 86 15.768 19.453 7.599 1.00 0.00 H ATOM 863 N ASP A 87 18.206 16.445 7.328 1.00 20.31 N ATOM 864 CA ASP A 87 19.675 16.230 7.307 1.00 24.71 C ATOM 865 C ASP A 87 20.078 15.098 6.339 1.00 21.64 C ATOM 866 O ASP A 87 19.898 13.892 6.592 1.00 18.36 O ATOM 867 CB ASP A 87 20.176 15.951 8.706 1.00 31.62 C ATOM 868 CG ASP A 87 19.852 17.128 9.717 1.00 48.11 C ATOM 869 OD1 ASP A 87 19.432 18.222 9.267 1.00 51.05 O ATOM 870 OD2 ASP A 87 20.034 16.966 10.965 1.00 51.20 O ATOM 871 H ASP A 87 17.638 15.703 7.784 1.00 0.00 H ATOM 872 N GLY A 88 20.630 15.473 5.181 1.00 21.04 N ATOM 873 CA GLY A 88 21.016 14.390 4.258 1.00 21.01 C ATOM 874 C GLY A 88 19.847 13.478 3.886 1.00 24.64 C ATOM 875 O GLY A 88 19.972 12.238 3.828 1.00 26.74 O ATOM 876 H GLY A 88 20.779 16.475 4.944 1.00 0.00 H ATOM 877 N GLY A 89 18.692 14.019 3.645 1.00 21.31 N ATOM 878 CA GLY A 89 17.709 12.956 3.345 1.00 18.31 C ATOM 879 C GLY A 89 16.909 12.277 4.475 1.00 22.17 C ATOM 880 O GLY A 89 15.893 11.550 4.251 1.00 19.73 O ATOM 881 H GLY A 89 18.490 15.039 3.660 1.00 0.00 H ATOM 882 N VAL A 90 17.366 12.542 5.697 1.00 17.99 N ATOM 883 CA VAL A 90 16.739 11.951 6.919 1.00 16.72 C ATOM 884 C VAL A 90 15.946 13.062 7.585 1.00 15.23 C ATOM 885 O VAL A 90 16.489 14.128 7.870 1.00 14.97 O ATOM 886 CB VAL A 90 17.816 11.430 7.884 1.00 18.24 C ATOM 887 CG1 VAL A 90 17.136 10.847 9.174 1.00 18.66 C ATOM 888 CG2 VAL A 90 18.763 10.376 7.245 1.00 21.82 C ATOM 889 H VAL A 90 18.182 13.178 5.805 1.00 0.00 H ATOM 890 N LEU A 91 14.629 12.854 7.897 1.00 14.96 N ATOM 891 CA LEU A 91 14.006 13.858 8.703 1.00 14.17 C ATOM 892 C LEU A 91 14.374 13.622 10.167 1.00 13.91 C ATOM 893 O LEU A 91 14.181 12.494 10.703 1.00 17.56 O ATOM 894 CB LEU A 91 12.425 13.711 8.656 1.00 16.64 C ATOM 895 CG LEU A 91 11.699 14.215 7.462 1.00 18.45 C ATOM 896 CD1 LEU A 91 10.221 13.722 7.536 1.00 19.45 C ATOM 897 CD2 LEU A 91 11.741 15.756 7.593 1.00 17.31 C ATOM 898 H LEU A 91 14.112 12.014 7.567 1.00 0.00 H ATOM 899 N VAL A 92 14.896 14.646 10.845 1.00 15.18 N ATOM 900 CA VAL A 92 15.405 14.455 12.198 1.00 12.94 C ATOM 901 C VAL A 92 14.510 15.269 13.114 1.00 14.43 C ATOM 902 O VAL A 92 14.489 16.489 12.945 1.00 15.48 O ATOM 903 CB VAL A 92 16.834 15.032 12.279 1.00 15.18 C ATOM 904 CG1 VAL A 92 17.349 14.925 13.688 1.00 15.70 C ATOM 905 CG2 VAL A 92 17.747 14.189 11.387 1.00 13.60 C ATOM 906 H VAL A 92 14.940 15.587 10.405 1.00 0.00 H ATOM 907 N HIS A 93 13.795 14.608 14.063 1.00 12.78 N ATOM 908 CA HIS A 93 12.806 15.280 14.898 1.00 13.54 C ATOM 909 C HIS A 93 13.263 15.242 16.324 1.00 14.84 C ATOM 910 O HIS A 93 13.364 14.132 16.918 1.00 16.17 O ATOM 911 CB HIS A 93 11.536 14.503 14.711 1.00 13.09 C ATOM 912 CG HIS A 93 10.319 14.944 15.518 1.00 14.36 C ATOM 913 ND1 HIS A 93 9.136 14.277 15.359 1.00 15.79 N ATOM 914 CD2 HIS A 93 10.080 15.958 16.436 1.00 13.99 C ATOM 915 CE1 HIS A 93 8.217 14.831 16.161 1.00 16.67 C ATOM 916 NE2 HIS A 93 8.758 15.878 16.778 1.00 16.55 N ATOM 917 H HIS A 93 13.959 13.590 14.198 1.00 0.00 H ATOM 918 N VAL A 94 13.630 16.405 16.884 1.00 12.82 N ATOM 919 CA VAL A 94 14.152 16.431 18.262 1.00 14.55 C ATOM 920 C VAL A 94 13.005 16.984 19.149 1.00 14.58 C ATOM 921 O VAL A 94 12.479 18.043 18.820 1.00 14.76 O ATOM 922 CB VAL A 94 15.392 17.290 18.345 1.00 17.26 C ATOM 923 CG1 VAL A 94 15.854 17.391 19.777 1.00 18.69 C ATOM 924 CG2 VAL A 94 16.496 16.742 17.441 1.00 20.25 C ATOM 925 H VAL A 94 13.546 17.290 16.344 1.00 0.00 H ATOM 926 N GLN A 95 12.693 16.275 20.240 1.00 13.52 N ATOM 927 CA GLN A 95 11.653 16.667 21.200 1.00 14.19 C ATOM 928 C GLN A 95 12.353 17.012 22.498 1.00 17.63 C ATOM 929 O GLN A 95 13.135 16.170 22.990 1.00 16.65 O ATOM 930 CB GLN A 95 10.708 15.530 21.482 1.00 12.89 C ATOM 931 CG GLN A 95 9.712 15.270 20.334 1.00 16.01 C ATOM 932 CD GLN A 95 8.875 14.055 20.537 1.00 16.57 C ATOM 933 OE1 GLN A 95 9.108 13.286 21.477 1.00 16.96 O ATOM 934 NE2 GLN A 95 7.823 13.889 19.718 1.00 17.71 N ATOM 935 HE22 GLN A 95 7.661 14.558 18.938 1.00 0.00 H ATOM 936 HE21 GLN A 95 7.171 13.092 19.864 1.00 0.00 H ATOM 937 H GLN A 95 13.218 15.395 20.419 1.00 0.00 H ATOM 938 N LYS A 96 12.022 18.179 23.112 1.00 16.67 N ATOM 939 CA LYS A 96 12.739 18.634 24.376 1.00 17.22 C ATOM 940 C LYS A 96 11.673 18.847 25.410 1.00 19.37 C ATOM 941 O LYS A 96 10.668 19.498 25.120 1.00 19.82 O ATOM 942 CB LYS A 96 13.351 20.024 24.084 1.00 19.07 C ATOM 943 CG LYS A 96 14.462 20.003 23.041 1.00 25.18 C ATOM 944 CD LYS A 96 15.737 19.307 23.534 1.00 33.70 C ATOM 945 CE LYS A 96 16.937 19.434 22.572 1.00 31.63 C ATOM 946 NZ LYS A 96 18.084 18.476 22.734 1.00 34.54 N ATOM 947 HZ1 LYS A 96 18.490 18.582 23.685 1.00 0.00 H ATOM 948 HZ2 LYS A 96 17.741 17.502 22.608 1.00 0.00 H ATOM 949 HZ3 LYS A 96 18.811 18.684 22.020 1.00 0.00 H ATOM 950 H LYS A 96 11.266 18.771 22.712 1.00 0.00 H ATOM 951 N TRP A 97 11.838 18.313 26.622 1.00 18.57 N ATOM 952 CA TRP A 97 10.836 18.577 27.694 1.00 19.54 C ATOM 953 C TRP A 97 11.598 18.299 29.003 1.00 24.11 C ATOM 954 O TRP A 97 12.484 17.419 29.088 1.00 23.90 O ATOM 955 CB TRP A 97 9.524 17.795 27.500 1.00 16.99 C ATOM 956 CG TRP A 97 9.692 16.351 27.890 1.00 18.43 C ATOM 957 CD1 TRP A 97 9.244 15.774 29.064 1.00 20.12 C ATOM 958 CD2 TRP A 97 10.501 15.322 27.224 1.00 16.89 C ATOM 959 NE1 TRP A 97 9.632 14.478 29.152 1.00 22.45 N ATOM 960 CE2 TRP A 97 10.472 14.151 28.094 1.00 19.64 C ATOM 961 CE3 TRP A 97 11.270 15.252 26.026 1.00 17.52 C ATOM 962 CZ2 TRP A 97 11.069 12.937 27.737 1.00 18.24 C ATOM 963 CZ3 TRP A 97 11.868 14.025 25.714 1.00 15.91 C ATOM 964 CH2 TRP A 97 11.780 12.898 26.572 1.00 17.52 C ATOM 965 HE1 TRP A 97 9.342 13.821 29.905 1.00 0.00 H ATOM 966 H TRP A 97 12.665 17.713 26.818 1.00 0.00 H ATOM 967 N ASP A 98 11.351 19.166 29.987 1.00 28.73 N ATOM 968 CA ASP A 98 11.814 18.896 31.368 1.00 28.25 C ATOM 969 C ASP A 98 13.269 18.558 31.412 1.00 26.15 C ATOM 970 O ASP A 98 13.657 17.636 32.117 1.00 31.30 O ATOM 971 CB ASP A 98 11.014 17.727 31.989 1.00 29.44 C ATOM 972 CG ASP A 98 9.538 18.082 32.299 1.00 28.52 C ATOM 973 OD1 ASP A 98 9.187 19.265 32.452 1.00 31.35 O ATOM 974 OD2 ASP A 98 8.725 17.162 32.361 1.00 29.21 O ATOM 975 H ASP A 98 10.828 20.041 29.782 1.00 0.00 H ATOM 976 N GLY A 99 14.105 19.270 30.674 1.00 25.11 N ATOM 977 CA GLY A 99 15.524 18.969 30.699 1.00 25.66 C ATOM 978 C GLY A 99 15.992 17.766 29.948 1.00 28.08 C ATOM 979 O GLY A 99 17.193 17.475 29.934 1.00 29.33 O ATOM 980 H GLY A 99 13.746 20.043 30.078 1.00 0.00 H ATOM 981 N LYS A 100 15.082 17.079 29.265 1.00 26.13 N ATOM 982 CA LYS A 100 15.380 15.806 28.575 1.00 22.03 C ATOM 983 C LYS A 100 15.211 16.045 27.050 1.00 22.64 C ATOM 984 O LYS A 100 14.632 17.047 26.649 1.00 21.11 O ATOM 985 CB LYS A 100 14.355 14.802 29.007 1.00 21.24 C ATOM 986 CG LYS A 100 14.631 14.252 30.376 1.00 28.20 C ATOM 987 CD LYS A 100 13.447 13.454 30.820 1.00 30.10 C ATOM 988 CE LYS A 100 12.714 14.229 31.844 1.00 41.16 C ATOM 989 NZ LYS A 100 12.235 13.048 32.578 1.00 46.24 N ATOM 990 HZ1 LYS A 100 11.655 12.460 31.946 1.00 0.00 H ATOM 991 HZ2 LYS A 100 13.050 12.497 32.916 1.00 0.00 H ATOM 992 HZ3 LYS A 100 11.662 13.355 33.390 1.00 0.00 H ATOM 993 H LYS A 100 14.114 17.455 29.214 1.00 0.00 H ATOM 994 N SER A 101 15.642 15.081 26.272 1.00 19.76 N ATOM 995 CA SER A 101 15.540 15.143 24.855 1.00 17.17 C ATOM 996 C SER A 101 15.472 13.752 24.251 1.00 17.63 C ATOM 997 O SER A 101 16.110 12.887 24.739 1.00 18.65 O ATOM 998 CB SER A 101 16.834 15.759 24.368 1.00 21.29 C ATOM 999 OG SER A 101 16.804 16.116 23.066 1.00 31.43 O ATOM 1000 HG SER A 101 16.628 15.316 22.510 1.00 0.00 H ATOM 1001 H SER A 101 16.074 14.241 26.707 1.00 0.00 H ATOM 1002 N THR A 102 14.699 13.621 23.176 1.00 14.39 N ATOM 1003 CA THR A 102 14.529 12.376 22.439 1.00 13.09 C ATOM 1004 C THR A 102 14.537 12.717 20.948 1.00 14.50 C ATOM 1005 O THR A 102 13.925 13.700 20.529 1.00 13.89 O ATOM 1006 CB THR A 102 13.207 11.677 22.798 1.00 15.57 C ATOM 1007 OG1 THR A 102 13.146 10.400 22.150 1.00 19.85 O ATOM 1008 CG2 THR A 102 12.021 12.521 22.358 1.00 9.47 C ATOM 1009 HG1 THR A 102 12.294 9.953 22.383 1.00 0.00 H ATOM 1010 H THR A 102 14.184 14.460 22.841 1.00 0.00 H ATOM 1011 N THR A 103 15.233 11.912 20.153 1.00 13.88 N ATOM 1012 CA THR A 103 15.336 12.144 18.731 1.00 15.18 C ATOM 1013 C THR A 103 14.735 10.996 17.931 1.00 15.84 C ATOM 1014 O THR A 103 15.022 9.910 18.140 1.00 15.46 O ATOM 1015 CB THR A 103 16.801 12.300 18.301 1.00 16.31 C ATOM 1016 OG1 THR A 103 17.350 13.414 18.973 1.00 21.33 O ATOM 1017 CG2 THR A 103 16.864 12.550 16.852 1.00 18.77 C ATOM 1018 HG1 THR A 103 18.296 13.526 18.705 1.00 0.00 H ATOM 1019 H THR A 103 15.718 11.090 20.567 1.00 0.00 H ATOM 1020 N ILE A 104 13.885 11.349 17.001 1.00 14.02 N ATOM 1021 CA ILE A 104 13.230 10.415 16.170 1.00 12.73 C ATOM 1022 C ILE A 104 13.694 10.699 14.753 1.00 12.11 C ATOM 1023 O ILE A 104 13.528 11.764 14.282 1.00 13.32 O ATOM 1024 CB ILE A 104 11.721 10.634 16.248 1.00 13.37 C ATOM 1025 CG1 ILE A 104 11.224 10.497 17.676 1.00 13.98 C ATOM 1026 CG2 ILE A 104 10.972 9.733 15.296 1.00 16.67 C ATOM 1027 CD1 ILE A 104 9.753 10.776 17.815 1.00 19.20 C ATOM 1028 H ILE A 104 13.684 12.361 16.869 1.00 0.00 H ATOM 1029 N LYS A 105 14.261 9.708 14.098 1.00 13.31 N ATOM 1030 CA LYS A 105 14.720 9.980 12.716 1.00 13.54 C ATOM 1031 C LYS A 105 13.850 9.134 11.778 1.00 14.57 C ATOM 1032 O LYS A 105 13.519 8.013 12.081 1.00 17.12 O ATOM 1033 CB LYS A 105 16.134 9.466 12.694 1.00 14.32 C ATOM 1034 CG LYS A 105 17.130 10.416 13.386 1.00 18.73 C ATOM 1035 CD LYS A 105 18.575 10.008 13.180 1.00 23.98 C ATOM 1036 CE LYS A 105 19.483 10.957 13.946 1.00 27.59 C ATOM 1037 NZ LYS A 105 20.912 10.647 13.638 1.00 33.43 N ATOM 1038 HZ1 LYS A 105 21.121 9.668 13.919 1.00 0.00 H ATOM 1039 HZ2 LYS A 105 21.078 10.760 12.617 1.00 0.00 H ATOM 1040 HZ3 LYS A 105 21.528 11.299 14.164 1.00 0.00 H ATOM 1041 H LYS A 105 14.382 8.771 14.533 1.00 0.00 H ATOM 1042 N ARG A 106 13.485 9.698 10.647 1.00 14.68 N ATOM 1043 CA ARG A 106 12.698 8.943 9.706 1.00 14.80 C ATOM 1044 C ARG A 106 13.463 8.905 8.394 1.00 14.11 C ATOM 1045 O ARG A 106 13.862 9.943 7.923 1.00 15.68 O ATOM 1046 CB ARG A 106 11.363 9.637 9.549 1.00 15.86 C ATOM 1047 CG ARG A 106 10.456 9.593 10.827 1.00 17.70 C ATOM 1048 CD ARG A 106 9.178 10.457 10.715 1.00 22.52 C ATOM 1049 NE ARG A 106 8.299 10.379 11.950 1.00 24.58 N ATOM 1050 CZ ARG A 106 8.335 11.200 13.004 1.00 25.02 C ATOM 1051 NH1 ARG A 106 9.187 12.199 13.044 1.00 21.56 N ATOM 1052 NH2 ARG A 106 7.444 11.036 14.050 1.00 28.15 N ATOM 1053 HE ARG A 106 7.599 9.610 11.979 1.00 0.00 H ATOM 1054 HH12 ARG A 106 9.207 12.832 13.869 1.00 0.00 H ATOM 1055 HH11 ARG A 106 9.841 12.357 12.251 1.00 0.00 H ATOM 1056 HH22 ARG A 106 7.477 11.678 14.867 1.00 0.00 H ATOM 1057 HH21 ARG A 106 6.741 10.270 14.019 1.00 0.00 H ATOM 1058 H ARG A 106 13.761 10.678 10.435 1.00 0.00 H ATOM 1059 N LYS A 107 13.519 7.757 7.747 1.00 16.51 N ATOM 1060 CA LYS A 107 14.307 7.727 6.503 1.00 18.03 C ATOM 1061 C LYS A 107 13.731 6.729 5.594 1.00 20.75 C ATOM 1062 O LYS A 107 13.076 5.798 6.050 1.00 22.51 O ATOM 1063 CB LYS A 107 15.756 7.405 6.748 1.00 21.58 C ATOM 1064 CG LYS A 107 16.054 6.159 7.511 1.00 22.44 C ATOM 1065 CD LYS A 107 17.033 6.638 8.570 1.00 26.33 C ATOM 1066 CE LYS A 107 18.009 5.607 9.058 1.00 31.08 C ATOM 1067 NZ LYS A 107 18.940 6.306 9.997 1.00 32.97 N ATOM 1068 HZ1 LYS A 107 19.431 7.071 9.491 1.00 0.00 H ATOM 1069 HZ2 LYS A 107 18.397 6.705 10.789 1.00 0.00 H ATOM 1070 HZ3 LYS A 107 19.637 5.626 10.362 1.00 0.00 H ATOM 1071 H LYS A 107 13.028 6.910 8.100 1.00 0.00 H ATOM 1072 N ARG A 108 13.955 6.896 4.286 1.00 18.74 N ATOM 1073 CA ARG A 108 13.482 5.846 3.336 1.00 18.03 C ATOM 1074 C ARG A 108 14.546 4.844 3.128 1.00 20.99 C ATOM 1075 O ARG A 108 15.709 5.187 2.854 1.00 23.03 O ATOM 1076 CB ARG A 108 13.146 6.473 1.981 1.00 19.09 C ATOM 1077 CG ARG A 108 11.954 7.373 2.102 1.00 18.32 C ATOM 1078 CD ARG A 108 10.648 6.564 2.233 1.00 22.92 C ATOM 1079 NE ARG A 108 10.720 5.373 1.402 1.00 24.32 N ATOM 1080 CZ ARG A 108 10.331 5.277 0.146 1.00 22.47 C ATOM 1081 NH1 ARG A 108 9.856 6.293 -0.545 1.00 22.36 N ATOM 1082 NH2 ARG A 108 10.441 4.129 -0.458 1.00 27.59 N ATOM 1083 HE ARG A 108 11.116 4.516 1.840 1.00 0.00 H ATOM 1084 HH12 ARG A 108 9.564 6.158 -1.534 1.00 0.00 H ATOM 1085 HH11 ARG A 108 9.773 7.230 -0.101 1.00 0.00 H ATOM 1086 HH22 ARG A 108 10.140 4.032 -1.449 1.00 0.00 H ATOM 1087 HH21 ARG A 108 10.830 3.309 0.050 1.00 0.00 H ATOM 1088 H ARG A 108 14.450 7.742 3.937 1.00 0.00 H ATOM 1089 N GLU A 109 14.158 3.587 3.271 1.00 19.41 N ATOM 1090 CA GLU A 109 15.003 2.476 2.989 1.00 20.76 C ATOM 1091 C GLU A 109 14.218 1.465 2.093 1.00 18.82 C ATOM 1092 O GLU A 109 13.250 0.848 2.568 1.00 19.84 O ATOM 1093 CB GLU A 109 15.381 1.759 4.295 1.00 25.21 C ATOM 1094 CG GLU A 109 16.435 0.667 4.117 1.00 33.15 C ATOM 1095 CD GLU A 109 17.790 1.198 3.690 1.00 36.42 C ATOM 1096 OE1 GLU A 109 18.096 2.346 4.056 1.00 39.15 O ATOM 1097 OE2 GLU A 109 18.549 0.460 2.998 1.00 39.39 O ATOM 1098 H GLU A 109 13.191 3.402 3.605 1.00 0.00 H ATOM 1099 N ASP A 110 14.661 1.218 0.846 1.00 20.66 N ATOM 1100 CA ASP A 110 13.880 0.350 -0.073 1.00 19.13 C ATOM 1101 C ASP A 110 12.447 0.889 -0.108 1.00 17.84 C ATOM 1102 O ASP A 110 12.314 2.131 -0.240 1.00 17.67 O ATOM 1103 CB ASP A 110 13.988 -1.163 0.276 1.00 19.62 C ATOM 1104 CG ASP A 110 15.443 -1.649 0.226 1.00 26.89 C ATOM 1105 OD1 ASP A 110 16.159 -1.235 -0.664 1.00 28.55 O ATOM 1106 OD2 ASP A 110 15.884 -2.405 1.069 1.00 30.52 O ATOM 1107 H ASP A 110 15.556 1.638 0.524 1.00 0.00 H ATOM 1108 N ASP A 111 11.415 0.069 -0.018 1.00 19.73 N ATOM 1109 CA ASP A 111 10.058 0.570 -0.034 1.00 20.72 C ATOM 1110 C ASP A 111 9.452 0.915 1.310 1.00 20.45 C ATOM 1111 O ASP A 111 8.246 1.088 1.452 1.00 21.87 O ATOM 1112 CB ASP A 111 9.131 -0.374 -0.756 1.00 21.34 C ATOM 1113 CG ASP A 111 9.457 -0.447 -2.279 1.00 26.15 C ATOM 1114 OD1 ASP A 111 9.668 0.627 -2.902 1.00 24.88 O ATOM 1115 OD2 ASP A 111 9.434 -1.559 -2.795 1.00 23.72 O ATOM 1116 H ASP A 111 11.581 -0.954 0.066 1.00 0.00 H ATOM 1117 N LYS A 112 10.298 0.928 2.298 1.00 20.50 N ATOM 1118 CA LYS A 112 9.888 1.156 3.688 1.00 16.80 C ATOM 1119 C LYS A 112 10.289 2.593 4.133 1.00 16.17 C ATOM 1120 O LYS A 112 11.155 3.260 3.569 1.00 18.51 O ATOM 1121 CB LYS A 112 10.602 0.124 4.591 1.00 18.81 C ATOM 1122 CG LYS A 112 10.303 -1.331 4.136 1.00 17.01 C ATOM 1123 CD LYS A 112 11.554 -2.136 4.358 1.00 18.92 C ATOM 1124 CE LYS A 112 11.356 -3.606 4.043 1.00 23.28 C ATOM 1125 NZ LYS A 112 9.892 -3.894 3.891 1.00 26.48 N ATOM 1126 HZ1 LYS A 112 9.400 -3.660 4.777 1.00 0.00 H ATOM 1127 HZ2 LYS A 112 9.505 -3.318 3.116 1.00 0.00 H ATOM 1128 HZ3 LYS A 112 9.759 -4.903 3.675 1.00 0.00 H ATOM 1129 H LYS A 112 11.306 0.770 2.094 1.00 0.00 H ATOM 1130 N LEU A 113 9.568 3.065 5.142 1.00 15.36 N ATOM 1131 CA LEU A 113 9.964 4.278 5.879 1.00 17.02 C ATOM 1132 C LEU A 113 10.397 3.747 7.270 1.00 16.21 C ATOM 1133 O LEU A 113 9.604 3.077 7.987 1.00 19.32 O ATOM 1134 CB LEU A 113 8.793 5.244 5.953 1.00 18.24 C ATOM 1135 CG LEU A 113 9.012 6.724 6.384 1.00 19.39 C ATOM 1136 CD1 LEU A 113 7.756 7.468 6.007 1.00 20.07 C ATOM 1137 CD2 LEU A 113 9.050 6.509 7.852 1.00 23.73 C ATOM 1138 H LEU A 113 8.700 2.565 5.420 1.00 0.00 H ATOM 1139 N VAL A 114 11.642 3.947 7.594 1.00 17.59 N ATOM 1140 CA VAL A 114 12.143 3.406 8.876 1.00 15.36 C ATOM 1141 C VAL A 114 12.119 4.577 9.864 1.00 16.98 C ATOM 1142 O VAL A 114 12.522 5.670 9.564 1.00 18.23 O ATOM 1143 CB VAL A 114 13.581 2.879 8.680 1.00 18.31 C ATOM 1144 CG1 VAL A 114 14.171 2.342 9.987 1.00 20.78 C ATOM 1145 CG2 VAL A 114 13.499 1.730 7.693 1.00 18.92 C ATOM 1146 H VAL A 114 12.274 4.478 6.962 1.00 0.00 H ATOM 1147 N VAL A 115 11.608 4.330 11.063 1.00 14.70 N ATOM 1148 CA VAL A 115 11.626 5.392 12.098 1.00 13.61 C ATOM 1149 C VAL A 115 12.486 4.890 13.265 1.00 13.31 C ATOM 1150 O VAL A 115 12.266 3.766 13.799 1.00 16.48 O ATOM 1151 CB VAL A 115 10.132 5.508 12.596 1.00 13.49 C ATOM 1152 CG1 VAL A 115 10.021 6.521 13.699 1.00 13.45 C ATOM 1153 CG2 VAL A 115 9.229 5.860 11.418 1.00 17.02 C ATOM 1154 H VAL A 115 11.198 3.398 11.276 1.00 0.00 H ATOM 1155 N GLU A 116 13.566 5.631 13.609 1.00 14.53 N ATOM 1156 CA GLU A 116 14.491 5.200 14.630 1.00 15.01 C ATOM 1157 C GLU A 116 14.312 6.200 15.776 1.00 13.49 C ATOM 1158 O GLU A 116 14.430 7.408 15.590 1.00 14.54 O ATOM 1159 CB GLU A 116 15.921 5.326 14.142 1.00 16.13 C ATOM 1160 CG GLU A 116 16.919 5.083 15.275 1.00 18.97 C ATOM 1161 CD GLU A 116 18.367 5.613 15.070 1.00 23.39 C ATOM 1162 OE1 GLU A 116 18.612 6.850 14.933 1.00 21.96 O ATOM 1163 OE2 GLU A 116 19.280 4.749 15.149 1.00 26.87 O ATOM 1164 H GLU A 116 13.734 6.536 13.124 1.00 0.00 H ATOM 1165 N CYS A 117 13.904 5.695 16.925 1.00 14.73 N ATOM 1166 CA CYS A 117 13.610 6.552 18.076 1.00 15.48 C ATOM 1167 C CYS A 117 14.770 6.331 19.069 1.00 16.10 C ATOM 1168 O CYS A 117 15.052 5.189 19.463 1.00 18.27 O ATOM 1169 CB CYS A 117 12.310 6.165 18.753 1.00 15.57 C ATOM 1170 SG CYS A 117 10.884 6.223 17.649 1.00 20.76 S ATOM 1171 H CYS A 117 13.789 4.665 17.015 1.00 0.00 H ATOM 1172 N VAL A 118 15.419 7.405 19.515 1.00 15.71 N ATOM 1173 CA VAL A 118 16.575 7.258 20.403 1.00 17.66 C ATOM 1174 C VAL A 118 16.371 8.079 21.696 1.00 16.72 C ATOM 1175 O VAL A 118 16.050 9.281 21.650 1.00 17.04 O ATOM 1176 CB VAL A 118 17.884 7.703 19.669 1.00 20.50 C ATOM 1177 CG1 VAL A 118 19.024 7.742 20.639 1.00 25.56 C ATOM 1178 CG2 VAL A 118 18.232 6.783 18.539 1.00 24.11 C ATOM 1179 H VAL A 118 15.103 8.354 19.231 1.00 0.00 H ATOM 1180 N MET A 119 16.579 7.461 22.836 1.00 18.03 N ATOM 1181 CA MET A 119 16.569 8.259 24.162 1.00 16.41 C ATOM 1182 C MET A 119 17.757 7.764 24.948 1.00 18.94 C ATOM 1183 O MET A 119 17.803 6.562 25.253 1.00 18.72 O ATOM 1184 CB MET A 119 15.233 8.014 24.883 1.00 16.72 C ATOM 1185 CG MET A 119 15.103 8.453 26.361 1.00 21.11 C ATOM 1186 SD MET A 119 14.963 10.238 26.270 1.00 23.18 S ATOM 1187 CE MET A 119 14.961 10.687 28.017 1.00 23.05 C ATOM 1188 H MET A 119 16.750 6.435 22.848 1.00 0.00 H ATOM 1189 N LYS A 120 18.745 8.646 25.132 1.00 17.01 N ATOM 1190 CA LYS A 120 20.072 8.276 25.620 1.00 17.40 C ATOM 1191 C LYS A 120 20.605 7.049 24.865 1.00 13.57 C ATOM 1192 O LYS A 120 20.854 7.078 23.674 1.00 18.16 O ATOM 1193 CB LYS A 120 19.977 7.962 27.087 1.00 17.01 C ATOM 1194 CG LYS A 120 18.889 8.649 27.850 1.00 23.12 C ATOM 1195 CD LYS A 120 19.461 9.676 28.751 1.00 26.21 C ATOM 1196 CE LYS A 120 19.830 8.982 30.049 1.00 25.31 C ATOM 1197 NZ LYS A 120 18.662 8.357 30.728 1.00 33.81 N ATOM 1198 HZ1 LYS A 120 17.959 9.090 30.950 1.00 0.00 H ATOM 1199 HZ2 LYS A 120 18.237 7.646 30.099 1.00 0.00 H ATOM 1200 HZ3 LYS A 120 18.978 7.900 31.607 1.00 0.00 H ATOM 1201 H LYS A 120 18.560 9.646 24.917 1.00 0.00 H ATOM 1202 N GLY A 121 20.754 5.945 25.525 1.00 13.25 N ATOM 1203 CA GLY A 121 21.442 4.855 24.871 1.00 12.89 C ATOM 1204 C GLY A 121 20.480 3.865 24.282 1.00 11.48 C ATOM 1205 O GLY A 121 20.835 2.883 23.738 1.00 10.47 O ATOM 1206 H GLY A 121 20.390 5.846 26.494 1.00 0.00 H ATOM 1207 N VAL A 122 19.195 4.129 24.428 1.00 15.24 N ATOM 1208 CA VAL A 122 18.213 3.076 23.993 1.00 17.58 C ATOM 1209 C VAL A 122 17.616 3.498 22.639 1.00 21.49 C ATOM 1210 O VAL A 122 17.167 4.663 22.497 1.00 20.93 O ATOM 1211 CB VAL A 122 17.042 2.923 25.021 1.00 20.06 C ATOM 1212 CG1 VAL A 122 16.001 1.951 24.517 1.00 19.08 C ATOM 1213 CG2 VAL A 122 17.590 2.495 26.386 1.00 22.10 C ATOM 1214 H VAL A 122 18.873 5.033 24.829 1.00 0.00 H ATOM 1215 N THR A 123 17.572 2.573 21.684 1.00 18.29 N ATOM 1216 CA THR A 123 17.040 2.815 20.321 1.00 20.71 C ATOM 1217 C THR A 123 15.909 1.822 20.046 1.00 21.07 C ATOM 1218 O THR A 123 15.984 0.643 20.430 1.00 25.12 O ATOM 1219 CB THR A 123 18.111 2.682 19.256 1.00 22.79 C ATOM 1220 OG1 THR A 123 19.167 3.601 19.574 1.00 27.04 O ATOM 1221 CG2 THR A 123 17.533 2.983 17.778 1.00 18.26 C ATOM 1222 HG1 THR A 123 19.880 3.532 18.891 1.00 0.00 H ATOM 1223 H THR A 123 17.932 1.623 21.907 1.00 0.00 H ATOM 1224 N SER A 124 14.836 2.339 19.450 1.00 18.64 N ATOM 1225 CA SER A 124 13.770 1.490 18.924 1.00 15.41 C ATOM 1226 C SER A 124 13.618 1.694 17.444 1.00 16.73 C ATOM 1227 O SER A 124 13.738 2.826 16.943 1.00 16.59 O ATOM 1228 CB SER A 124 12.456 1.808 19.643 1.00 15.63 C ATOM 1229 OG SER A 124 11.378 1.159 18.944 1.00 16.51 O ATOM 1230 HG SER A 124 11.531 0.181 18.939 1.00 0.00 H ATOM 1231 H SER A 124 14.755 3.372 19.357 1.00 0.00 H ATOM 1232 N THR A 125 13.416 0.605 16.684 1.00 15.84 N ATOM 1233 CA THR A 125 13.291 0.778 15.192 1.00 16.03 C ATOM 1234 C THR A 125 11.893 0.333 14.874 1.00 14.61 C ATOM 1235 O THR A 125 11.451 -0.792 15.265 1.00 16.90 O ATOM 1236 CB THR A 125 14.276 -0.120 14.477 1.00 17.57 C ATOM 1237 OG1 THR A 125 15.581 0.364 14.804 1.00 20.86 O ATOM 1238 CG2 THR A 125 14.126 -0.092 12.981 1.00 19.09 C ATOM 1239 HG1 THR A 125 15.711 0.322 15.784 1.00 0.00 H ATOM 1240 H THR A 125 13.347 -0.338 17.116 1.00 0.00 H ATOM 1241 N ARG A 126 11.201 1.200 14.171 1.00 14.52 N ATOM 1242 CA ARG A 126 9.814 0.939 13.765 1.00 12.86 C ATOM 1243 C ARG A 126 9.769 1.015 12.258 1.00 15.83 C ATOM 1244 O ARG A 126 10.227 2.000 11.702 1.00 18.15 O ATOM 1245 CB ARG A 126 8.859 1.921 14.410 1.00 15.86 C ATOM 1246 CG ARG A 126 8.729 1.415 15.854 1.00 16.95 C ATOM 1247 CD ARG A 126 8.107 2.449 16.755 1.00 17.34 C ATOM 1248 NE ARG A 126 6.704 2.770 16.501 1.00 19.55 N ATOM 1249 CZ ARG A 126 5.656 2.134 17.008 1.00 20.00 C ATOM 1250 NH1 ARG A 126 5.814 0.983 17.570 1.00 22.13 N ATOM 1251 NH2 ARG A 126 4.434 2.619 16.811 1.00 19.35 N ATOM 1252 HE ARG A 126 6.510 3.570 15.865 1.00 0.00 H ATOM 1253 HH12 ARG A 126 4.994 0.482 17.968 1.00 0.00 H ATOM 1254 HH11 ARG A 126 6.761 0.557 17.624 1.00 0.00 H ATOM 1255 HH22 ARG A 126 3.609 2.125 17.206 1.00 0.00 H ATOM 1256 HH21 ARG A 126 4.304 3.493 16.262 1.00 0.00 H ATOM 1257 H ARG A 126 11.648 2.097 13.894 1.00 0.00 H ATOM 1258 N VAL A 127 9.183 0.025 11.600 1.00 13.37 N ATOM 1259 CA VAL A 127 9.257 0.008 10.135 1.00 13.86 C ATOM 1260 C VAL A 127 7.847 0.147 9.584 1.00 14.95 C ATOM 1261 O VAL A 127 6.972 -0.605 10.015 1.00 15.75 O ATOM 1262 CB VAL A 127 9.835 -1.290 9.666 1.00 15.67 C ATOM 1263 CG1 VAL A 127 9.744 -1.327 8.119 1.00 17.71 C ATOM 1264 CG2 VAL A 127 11.330 -1.353 10.109 1.00 16.99 C ATOM 1265 H VAL A 127 8.680 -0.727 12.113 1.00 0.00 H ATOM 1266 N TYR A 128 7.686 1.113 8.686 1.00 12.82 N ATOM 1267 CA TYR A 128 6.362 1.245 8.027 1.00 13.23 C ATOM 1268 C TYR A 128 6.458 0.889 6.553 1.00 15.66 C ATOM 1269 O TYR A 128 7.516 1.075 5.906 1.00 15.26 O ATOM 1270 CB TYR A 128 5.892 2.714 8.090 1.00 14.12 C ATOM 1271 CG TYR A 128 5.544 3.200 9.466 1.00 14.53 C ATOM 1272 CD1 TYR A 128 6.516 3.502 10.449 1.00 12.90 C ATOM 1273 CD2 TYR A 128 4.183 3.399 9.766 1.00 14.97 C ATOM 1274 CE1 TYR A 128 6.135 3.956 11.718 1.00 14.59 C ATOM 1275 CE2 TYR A 128 3.802 3.897 10.993 1.00 16.70 C ATOM 1276 CZ TYR A 128 4.727 4.102 11.986 1.00 16.87 C ATOM 1277 OH TYR A 128 4.265 4.649 13.184 1.00 17.87 O ATOM 1278 HH TYR A 128 5.022 4.747 13.814 1.00 0.00 H ATOM 1279 H TYR A 128 8.466 1.759 8.451 1.00 0.00 H ATOM 1280 N GLU A 129 5.313 0.499 5.998 1.00 15.61 N ATOM 1281 CA GLU A 129 5.262 0.233 4.540 1.00 17.28 C ATOM 1282 C GLU A 129 4.117 0.946 3.943 1.00 17.45 C ATOM 1283 O GLU A 129 3.262 1.343 4.666 1.00 17.88 O ATOM 1284 CB GLU A 129 5.139 -1.294 4.265 1.00 20.46 C ATOM 1285 CG GLU A 129 6.558 -1.808 4.110 1.00 22.69 C ATOM 1286 CD GLU A 129 6.709 -3.320 4.047 1.00 25.33 C ATOM 1287 OE1 GLU A 129 5.695 -4.059 3.913 1.00 21.76 O ATOM 1288 OE2 GLU A 129 7.903 -3.741 4.108 1.00 26.49 O ATOM 1289 H GLU A 129 4.461 0.382 6.582 1.00 0.00 H ATOM 1290 N ARG A 130 4.106 1.172 2.606 1.00 18.65 N ATOM 1291 CA ARG A 130 2.984 1.858 1.993 1.00 19.74 C ATOM 1292 C ARG A 130 1.715 1.140 2.211 1.00 19.51 C ATOM 1293 O ARG A 130 1.664 -0.133 2.135 1.00 21.70 O ATOM 1294 CB ARG A 130 3.239 2.072 0.485 1.00 21.01 C ATOM 1295 CG ARG A 130 4.243 3.177 0.301 1.00 23.73 C ATOM 1296 CD ARG A 130 4.087 3.955 -0.988 1.00 30.53 C ATOM 1297 NE ARG A 130 5.291 4.762 -1.266 1.00 26.67 N ATOM 1298 CZ ARG A 130 5.390 6.052 -0.951 1.00 24.78 C ATOM 1299 NH1 ARG A 130 4.347 6.608 -0.353 1.00 21.28 N ATOM 1300 NH2 ARG A 130 6.472 6.775 -1.263 1.00 23.68 N ATOM 1301 HE ARG A 130 6.100 4.302 -1.730 1.00 0.00 H ATOM 1302 HH12 ARG A 130 4.375 7.613 -0.087 1.00 0.00 H ATOM 1303 HH11 ARG A 130 3.500 6.040 -0.150 1.00 0.00 H ATOM 1304 HH22 ARG A 130 6.518 7.781 -1.003 1.00 0.00 H ATOM 1305 HH21 ARG A 130 7.267 6.331 -1.766 1.00 0.00 H ATOM 1306 H ARG A 130 4.903 0.853 2.019 1.00 0.00 H ATOM 1307 N ALA A 131 0.677 1.917 2.537 1.00 22.93 N ATOM 1308 CA ALA A 131 -0.662 1.403 2.810 1.00 28.77 C ATOM 1309 C ALA A 131 -1.284 0.858 1.527 1.00 36.40 C ATOM 1310 O ALA A 131 -1.926 -0.195 1.488 1.00 41.95 O ATOM 1311 CB ALA A 131 -1.542 2.478 3.368 1.00 33.90 C ATOM 1312 OXT ALA A 131 -1.066 1.455 0.470 1.00 36.96 O ATOM 1313 H ALA A 131 0.832 2.944 2.600 1.00 0.00 H TER 1314 ALA A 131 HETATM 1315 O HOH 1 3.496 -3.934 4.131 1.00 33.32 O HETATM 1316 O HOH 2 -1.888 6.863 16.308 1.00 30.98 O HETATM 1317 O HOH 3 6.113 -0.059 0.984 1.00 25.34 O HETATM 1318 O HOH 4 14.934 -5.135 22.053 1.00 44.48 O HETATM 1319 O HOH 5 20.159 10.217 2.413 1.00 32.66 O HETATM 1320 O HOH 6 0.014 3.604 -0.274 1.00 31.52 O HETATM 1321 O HOH 7 20.362 5.372 27.950 1.00 32.63 O HETATM 1322 O HOH 8 10.592 16.076 33.685 1.00 53.36 O HETATM 1323 O HOH 9 9.647 23.253 5.338 1.00 17.22 O HETATM 1324 O HOH 10 18.471 4.318 2.467 1.00 35.23 O HETATM 1325 O HOH 11 5.044 -1.622 25.186 1.00 25.90 O HETATM 1326 O HOH 12 10.453 -3.466 -1.366 1.00 38.46 O HETATM 1327 O HOH 13 2.466 7.081 13.472 1.00 26.22 O HETATM 1328 O HOH 14 2.579 14.149 17.955 1.00 34.11 O HETATM 1329 O HOH 15 10.204 -4.272 27.744 1.00 35.00 O HETATM 1330 O HOH 16 6.119 9.519 -1.842 1.00 24.99 O HETATM 1331 O HOH 17 -2.197 19.634 6.724 1.00 36.24 O HETATM 1332 O HOH 18 0.753 15.762 18.424 1.00 42.02 O HETATM 1333 O HOH 19 -0.078 -2.524 9.833 1.00 38.47 O HETATM 1334 O HOH 20 -3.801 -1.347 19.199 1.00 20.40 O HETATM 1335 O HOH 21 -0.551 -5.026 17.238 1.00 31.68 O HETATM 1336 O HOH 22 -2.155 0.043 10.143 1.00 38.18 O HETATM 1337 O HOH 23 15.601 9.083 3.353 1.00 25.77 O HETATM 1338 O HOH 24 -2.040 20.479 11.499 1.00 26.45 O HETATM 1339 O HOH 25 -4.595 12.552 13.528 1.00 41.87 O HETATM 1340 O HOH 26 6.512 8.149 12.879 1.00 29.30 O HETATM 1341 O HOH 27 2.807 0.828 18.259 1.00 18.99 O HETATM 1342 O HOH 28 11.652 12.415 12.045 1.00 17.72 O HETATM 1343 O HOH 29 15.912 -2.946 -2.733 1.00 27.18 O HETATM 1344 O HOH 30 6.953 27.783 11.972 1.00 22.02 O HETATM 1345 O HOH 31 19.622 20.427 7.720 1.00 40.56 O HETATM 1346 O HOH 32 0.231 19.151 19.820 1.00 34.44 O HETATM 1347 O HOH 33 14.657 1.245 29.087 1.00 31.66 O HETATM 1348 O HOH 34 9.336 28.774 17.112 1.00 35.04 O HETATM 1349 O HOH 35 6.242 11.623 16.437 1.00 38.24 O HETATM 1350 O HOH 36 13.626 26.785 15.349 1.00 20.46 O HETATM 1351 O HOH 37 1.609 12.834 14.301 1.00 22.45 O HETATM 1352 O HOH 38 17.406 -1.655 19.956 1.00 32.47 O HETATM 1353 O HOH 39 -1.598 9.264 26.141 1.00 35.94 O HETATM 1354 O HOH 40 -0.714 14.569 6.302 1.00 19.78 O HETATM 1355 O HOH 41 -3.788 -0.589 21.811 1.00 16.40 O HETATM 1356 O HOH 42 4.705 24.458 13.250 1.00 17.44 O HETATM 1357 O HOH 43 15.123 -5.962 19.092 1.00 33.77 O HETATM 1358 O HOH 44 4.092 9.335 15.226 1.00 33.22 O HETATM 1359 O HOH 45 3.818 3.345 35.323 1.00 31.21 O HETATM 1360 O HOH 46 5.385 -1.968 19.643 1.00 30.23 O HETATM 1361 O HOH 47 1.041 20.385 5.056 1.00 18.46 O HETATM 1362 O HOH 48 -0.853 18.986 3.830 1.00 31.22 O HETATM 1363 O HOH 49 7.181 24.851 12.472 1.00 15.82 O HETATM 1364 O HOH 50 13.122 21.748 19.721 1.00 23.99 O HETATM 1365 O HOH 51 19.569 14.956 18.228 1.00 30.88 O HETATM 1366 O HOH 52 4.169 -4.144 16.002 1.00 42.17 O HETATM 1367 O HOH 53 11.387 -3.259 24.383 1.00 30.10 O HETATM 1368 O HOH 54 7.493 -6.173 15.306 1.00 26.47 O HETATM 1369 O HOH 55 -1.834 12.809 23.424 1.00 37.67 O HETATM 1370 O HOH 56 11.273 -5.791 20.708 1.00 28.23 O HETATM 1371 O HOH 57 1.695 5.769 0.160 1.00 22.83 O HETATM 1372 O HOH 58 -1.375 7.847 -0.234 1.00 29.54 O HETATM 1373 O HOH 59 16.934 -0.473 17.145 1.00 34.11 O HETATM 1374 O HOH 60 3.896 27.281 2.492 1.00 24.15 O HETATM 1375 O HOH 61 2.595 -2.802 17.211 1.00 38.32 O HETATM 1376 O HOH 62 -7.778 6.729 18.717 1.00 45.12 O HETATM 1377 O HOH 63 17.617 0.471 -2.402 1.00 25.08 O HETATM 1378 O HOH 64 6.062 27.592 15.321 1.00 31.84 O HETATM 1379 O HOH 65 21.334 18.119 4.427 1.00 31.69 O HETATM 1380 O HOH 66 2.237 10.168 17.231 1.00 22.30 O HETATM 1381 O HOH 67 6.359 19.282 -2.851 1.00 42.56 O HETATM 1382 O HOH 68 9.765 27.203 23.160 1.00 87.12 O HETATM 1383 O HOH 69 12.281 -6.105 26.539 1.00 45.62 O HETATM 1384 O HOH 70 11.397 -3.029 13.489 1.00 23.18 O HETATM 1385 O HOH 71 10.400 22.133 12.723 1.00 13.93 O HETATM 1386 O HOH 72 8.733 4.806 32.500 1.00 30.31 O HETATM 1387 O HOH 73 1.797 16.108 -0.290 1.00 22.50 O HETATM 1388 O HOH 74 16.137 18.801 14.038 1.00 18.91 O HETATM 1389 O HOH 75 5.074 10.039 29.036 1.00 26.87 O HETATM 1390 O HOH 76 8.621 11.667 30.495 1.00 37.97 O HETATM 1391 O HOH 77 -6.805 10.572 19.928 1.00 36.64 O HETATM 1392 O HOH 78 16.261 21.177 7.142 1.00 21.55 O HETATM 1393 O HOH 79 17.265 8.965 16.347 1.00 24.15 O HETATM 1394 O HOH 80 15.031 -1.911 17.747 1.00 43.50 O HETATM 1395 O HOH 81 5.446 22.730 24.431 1.00 35.78 O HETATM 1396 O HOH 82 13.434 11.925 -2.677 1.00 40.50 O HETATM 1397 O HOH 83 -8.210 6.069 14.844 1.00 38.90 O HETATM 1398 O HOH 84 18.107 13.383 21.806 1.00 27.91 O HETATM 1399 O HOH 85 5.003 17.001 29.710 1.00 30.60 O HETATM 1400 O HOH 86 8.866 -3.147 20.061 1.00 21.10 O HETATM 1401 O HOH 87 9.242 21.181 29.598 1.00 29.91 O HETATM 1402 O HOH 88 3.474 11.622 19.172 1.00 21.07 O HETATM 1403 O HOH 89 11.168 -2.785 0.680 1.00 33.14 O HETATM 1404 O HOH 90 9.195 9.859 -3.276 1.00 64.57 O HETATM 1405 O HOH 91 17.480 3.090 6.845 1.00 91.44 O HETATM 1406 O HOH 92 17.769 4.209 12.657 1.00 37.76 O HETATM 1407 O HOH 93 17.523 13.274 27.730 1.00 29.23 O HETATM 1408 O HOH 94 2.991 8.210 30.887 1.00 37.05 O HETATM 1409 O HOH 95 8.472 14.371 -6.150 1.00 48.04 O HETATM 1410 O HOH 96 8.657 -3.634 22.491 1.00 28.24 O HETATM 1411 O HOH 97 6.053 11.438 19.403 1.00 28.60 O HETATM 1412 O HOH 98 0.325 4.993 32.112 1.00 28.01 O HETATM 1413 O HOH 99 -1.943 15.929 18.014 1.00 36.25 O HETATM 1414 O HOH 100 -2.038 -2.984 4.174 1.00 47.78 O HETATM 1415 O HOH 101 18.745 17.046 2.733 1.00 26.43 O HETATM 1416 O HOH 102 8.267 19.135 -1.030 1.00 64.34 O HETATM 1417 O HOH 103 3.135 -5.141 21.769 1.00 32.65 O HETATM 1418 O HOH 104 0.476 18.154 18.260 1.00 31.03 O HETATM 1419 O HOH 105 4.896 7.614 34.356 1.00 46.87 O HETATM 1420 O HOH 106 4.149 12.253 14.721 1.00 50.92 O HETATM 1421 O HOH 107 16.460 21.142 4.271 1.00 37.19 O HETATM 1422 O HOH 108 2.882 18.828 -3.493 1.00 53.45 O HETATM 1423 O HOH 109 -5.406 11.832 22.015 1.00 57.74 O HETATM 1424 O HOH 110 16.329 -2.142 5.407 1.00 40.83 O HETATM 1425 O HOH 111 12.203 -6.394 23.208 1.00 31.22 O HETATM 1426 O HOH 112 -3.085 15.080 7.105 1.00 43.43 O HETATM 1427 O HOH 113 14.000 -3.764 13.425 1.00 47.92 O HETATM 1428 O1 UNN A 114 5.891 7.215 15.297 1.00 -0.57 O HETATM 1429 C17 UNN A 114 5.834 6.200 15.970 1.00 0.04 C HETATM 1430 O2 UNN A 114 5.745 5.044 15.356 1.00 -0.57 O HETATM 1431 C16 UNN A 114 5.857 6.245 17.487 1.00 0.03 C HETATM 1432 C15 UNN A 114 5.175 7.539 18.021 1.00 0.06 C HETATM 1433 N UNN A 114 5.120 7.330 19.486 1.00 -0.26 N HETATM 1434 C14 UNN A 114 6.023 7.780 20.412 1.00 0.07 C HETATM 1435 C13 UNN A 114 7.237 8.477 20.317 1.00 -0.04 C HETATM 1436 C12 UNN A 114 7.888 8.749 21.553 1.00 -0.08 C HETATM 1437 C11 UNN A 114 7.346 8.281 22.732 1.00 -0.08 C HETATM 1438 C10 UNN A 114 6.142 7.602 22.817 1.00 -0.07 C HETATM 1439 C9 UNN A 114 5.488 7.360 21.634 1.00 -0.02 C HETATM 1440 C8 UNN A 114 4.287 6.626 21.440 1.00 -0.05 C HETATM 1441 C7 UNN A 114 4.099 6.696 20.055 1.00 0.07 C HETATM 1442 C4 UNN A 114 3.053 6.145 19.313 1.00 0.00 C HETATM 1443 C3 UNN A 114 2.136 5.407 19.939 1.00 -0.05 C HETATM 1444 C2 UNN A 114 1.047 4.853 19.243 1.00 -0.06 C HETATM 1445 C1 UNN A 114 0.776 5.042 17.938 1.00 -0.06 C HETATM 1446 C6 UNN A 114 1.780 5.711 17.251 1.00 -0.06 C HETATM 1447 C5 UNN A 114 2.890 6.272 17.925 1.00 -0.05 C HETATM 1448 H12 UNN A 114 3.635 6.815 17.354 1.00 0.06 H HETATM 1449 H13 UNN A 114 1.712 5.806 16.173 1.00 0.06 H HETATM 1450 H14 UNN A 114 -0.140 4.704 17.468 1.00 0.06 H HETATM 1451 H11 UNN A 114 0.369 4.221 19.804 1.00 0.06 H HETATM 1452 H10 UNN A 114 2.232 5.231 21.004 1.00 0.06 H HETATM 1453 H9 UNN A 114 3.666 6.131 22.185 1.00 0.03 H HETATM 1454 H8 UNN A 114 5.737 7.278 23.769 1.00 0.05 H HETATM 1455 H7 UNN A 114 7.897 8.456 23.649 1.00 0.05 H HETATM 1456 H6 UNN A 114 8.808 9.323 21.568 1.00 0.05 H HETATM 1457 H5 UNN A 114 7.652 8.788 19.365 1.00 0.05 H HETATM 1458 H3 UNN A 114 4.164 7.650 17.603 1.00 0.06 H HETATM 1459 H4 UNN A 114 5.774 8.428 17.774 1.00 0.06 H HETATM 1460 H1 UNN A 114 6.902 6.221 17.831 1.00 0.05 H HETATM 1461 H2 UNN A 114 5.322 5.368 17.880 1.00 0.05 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1428 1429 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1460 1461 CONECT 1432 1431 1433 1458 1459 CONECT 1433 1432 1434 1441 CONECT 1434 1433 1435 1439 CONECT 1435 1434 1436 1457 CONECT 1436 1435 1437 1456 CONECT 1437 1436 1438 1455 CONECT 1438 1437 1439 1454 CONECT 1439 1434 1438 1440 CONECT 1440 1439 1441 1453 CONECT 1441 1433 1440 1442 CONECT 1442 1441 1443 1447 CONECT 1443 1442 1444 1452 CONECT 1444 1443 1445 1451 CONECT 1445 1444 1446 1450 CONECT 1446 1445 1447 1449 CONECT 1447 1442 1446 1448 CONECT 1448 1447 CONECT 1449 1446 CONECT 1450 1445 CONECT 1451 1444 CONECT 1452 1443 CONECT 1453 1440 CONECT 1454 1438 CONECT 1455 1437 CONECT 1456 1436 CONECT 1457 1435 CONECT 1458 1432 CONECT 1459 1432 CONECT 1460 1431 CONECT 1461 1431 MASTER 0 0 0 0 0 0 0 0 1460 1 38 11 END
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Related entries of code: 5d4a
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5d4a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Fatty acid-binding protein, adipocyte (FABP4)
Ligand Name
57Q
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki>1.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 435-439
Ligand Properties
Formula
C
1
7
H
1
5
NO
2
Molecular Weight
265.306
Exact Mass
265.110
No. of atoms
35
No. of bonds
37
Polar Surface Area
42.23
LOGP Value
4.54 (
Computed with XLOGP3
)
3.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
OC(=O)CCn1c(cc2c1cccc2)c1ccccc1
InChI String
InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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