Browse entries in the PDBbind-CN Database
HEADER 1A30_COMPLEX COMPND 1A30_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET GLU A 415 49 ATOM 1 N PRO A 1 28.458 40.197 5.198 1.00 30.76 N ATOM 2 CA PRO A 1 29.484 39.258 4.696 1.00 30.76 C ATOM 3 C PRO A 1 28.901 38.374 3.596 1.00 29.79 C ATOM 4 O PRO A 1 27.702 38.432 3.327 1.00 28.63 O ATOM 5 CB PRO A 1 29.887 38.396 5.887 1.00 31.01 C ATOM 6 CG PRO A 1 28.596 38.355 6.663 1.00 31.08 C ATOM 7 CD PRO A 1 28.037 39.789 6.550 1.00 31.03 C ATOM 8 HA PRO A 1 30.336 39.793 4.276 1.00 0.00 H ATOM 9 HD3 PRO A 1 26.951 39.796 6.642 1.00 0.00 H ATOM 10 HD2 PRO A 1 28.469 40.440 7.310 1.00 0.00 H ATOM 11 HG3 PRO A 1 28.780 38.093 7.705 1.00 0.00 H ATOM 12 HG2 PRO A 1 27.905 37.635 6.225 1.00 0.00 H ATOM 13 HB2 PRO A 1 30.198 37.399 5.573 1.00 0.00 H ATOM 14 HB3 PRO A 1 30.687 38.859 6.464 1.00 0.00 H ATOM 15 N GLN A 2 29.759 37.596 2.938 1.00 28.67 N ATOM 16 CA GLN A 2 29.325 36.672 1.898 1.00 27.91 C ATOM 17 C GLN A 2 29.488 35.273 2.473 1.00 29.38 C ATOM 18 O GLN A 2 30.580 34.893 2.914 1.00 30.39 O ATOM 19 CB GLN A 2 30.149 36.816 0.620 1.00 22.92 C ATOM 20 CG GLN A 2 29.793 35.771 -0.425 1.00 27.41 C ATOM 21 CD GLN A 2 30.328 36.079 -1.804 1.00 30.67 C ATOM 22 OE1 GLN A 2 31.338 35.510 -2.237 1.00 36.24 O ATOM 23 NE2 GLN A 2 29.636 36.948 -2.523 1.00 23.67 N ATOM 24 HA GLN A 2 28.292 36.881 1.619 1.00 0.00 H ATOM 25 HB2 GLN A 2 29.971 37.806 0.199 1.00 0.00 H ATOM 26 HB3 GLN A 2 31.205 36.714 0.871 1.00 0.00 H ATOM 27 HG2 GLN A 2 30.200 34.812 -0.105 1.00 0.00 H ATOM 28 HG3 GLN A 2 28.707 35.701 -0.485 1.00 0.00 H ATOM 29 HE22 GLN A 2 28.793 37.403 -2.119 1.00 0.00 H ATOM 30 HE21 GLN A 2 29.935 37.176 -3.492 1.00 0.00 H ATOM 31 H GLN A 2 30.770 37.650 3.174 1.00 0.00 H ATOM 32 N ILE A 3 28.391 34.525 2.499 1.00 28.17 N ATOM 33 CA ILE A 3 28.383 33.178 3.036 1.00 25.85 C ATOM 34 C ILE A 3 28.212 32.177 1.906 1.00 25.23 C ATOM 35 O ILE A 3 27.248 32.248 1.137 1.00 25.10 O ATOM 36 CB ILE A 3 27.257 33.024 4.087 1.00 26.34 C ATOM 37 CG1 ILE A 3 27.432 34.098 5.174 1.00 24.98 C ATOM 38 CG2 ILE A 3 27.266 31.615 4.691 1.00 26.15 C ATOM 39 CD1 ILE A 3 26.453 34.019 6.318 1.00 24.89 C ATOM 40 HA ILE A 3 29.334 32.984 3.532 1.00 0.00 H ATOM 41 HB ILE A 3 26.289 33.163 3.605 1.00 0.00 H ATOM 42 HG12 ILE A 3 28.438 34.003 5.583 1.00 0.00 H ATOM 43 HG13 ILE A 3 27.323 35.075 4.704 1.00 0.00 H ATOM 44 HD11 ILE A 3 25.438 34.127 5.934 1.00 0.00 H ATOM 45 HD12 ILE A 3 26.554 33.054 6.815 1.00 0.00 H ATOM 46 HD13 ILE A 3 26.661 34.819 7.029 1.00 0.00 H ATOM 47 HG21 ILE A 3 27.112 30.881 3.900 1.00 0.00 H ATOM 48 HG22 ILE A 3 28.226 31.434 5.174 1.00 0.00 H ATOM 49 HG23 ILE A 3 26.466 31.531 5.427 1.00 0.00 H ATOM 50 H ILE A 3 27.506 34.919 2.121 1.00 0.00 H ATOM 51 N THR A 4 29.203 31.303 1.755 1.00 24.52 N ATOM 52 CA THR A 4 29.164 30.278 0.723 1.00 24.50 C ATOM 53 C THR A 4 28.280 29.134 1.233 1.00 23.77 C ATOM 54 O THR A 4 28.014 29.037 2.435 1.00 22.06 O ATOM 55 CB THR A 4 30.578 29.782 0.386 1.00 24.73 C ATOM 56 OG1 THR A 4 31.214 29.305 1.580 1.00 26.22 O ATOM 57 CG2 THR A 4 31.404 30.923 -0.201 1.00 23.83 C ATOM 58 HA THR A 4 28.749 30.687 -0.198 1.00 0.00 H ATOM 59 HB THR A 4 30.508 28.975 -0.343 1.00 0.00 H ATOM 60 HG1 THR A 4 30.684 28.560 1.960 1.00 0.00 H ATOM 61 HG23 THR A 4 30.924 31.288 -1.109 1.00 0.00 H ATOM 62 HG21 THR A 4 31.472 31.732 0.526 1.00 0.00 H ATOM 63 HG22 THR A 4 32.404 30.561 -0.438 1.00 0.00 H ATOM 64 H THR A 4 30.025 31.353 2.390 1.00 0.00 H ATOM 65 N LEU A 5 27.820 28.270 0.338 1.00 25.04 N ATOM 66 CA LEU A 5 26.936 27.193 0.764 1.00 25.03 C ATOM 67 C LEU A 5 27.553 25.791 0.748 1.00 26.86 C ATOM 68 O LEU A 5 26.832 24.786 0.642 1.00 29.07 O ATOM 69 CB LEU A 5 25.628 27.253 -0.038 1.00 23.33 C ATOM 70 CG LEU A 5 24.849 28.548 0.209 1.00 19.48 C ATOM 71 CD1 LEU A 5 23.715 28.687 -0.787 1.00 18.60 C ATOM 72 CD2 LEU A 5 24.340 28.575 1.645 1.00 18.15 C ATOM 73 HA LEU A 5 26.734 27.368 1.821 1.00 0.00 H ATOM 74 HB2 LEU A 5 25.865 27.184 -1.100 1.00 0.00 H ATOM 75 HB3 LEU A 5 25.002 26.408 0.249 1.00 0.00 H ATOM 76 HG LEU A 5 25.513 29.400 0.065 1.00 0.00 H ATOM 77 HD21 LEU A 5 23.684 27.721 1.813 1.00 0.00 H ATOM 78 HD22 LEU A 5 25.186 28.525 2.330 1.00 0.00 H ATOM 79 HD23 LEU A 5 23.786 29.498 1.816 1.00 0.00 H ATOM 80 HD11 LEU A 5 24.122 28.706 -1.798 1.00 0.00 H ATOM 81 HD12 LEU A 5 23.036 27.841 -0.683 1.00 0.00 H ATOM 82 HD13 LEU A 5 23.175 29.614 -0.594 1.00 0.00 H ATOM 83 H LEU A 5 28.089 28.361 -0.663 1.00 0.00 H ATOM 84 N TRP A 6 28.882 25.723 0.883 1.00 24.16 N ATOM 85 CA TRP A 6 29.593 24.442 0.908 1.00 22.00 C ATOM 86 C TRP A 6 29.140 23.629 2.119 1.00 22.14 C ATOM 87 O TRP A 6 29.123 22.403 2.078 1.00 23.98 O ATOM 88 CB TRP A 6 31.110 24.653 0.901 1.00 21.38 C ATOM 89 CG TRP A 6 31.597 25.372 -0.337 1.00 20.56 C ATOM 90 CD1 TRP A 6 32.075 26.653 -0.409 1.00 20.31 C ATOM 91 CD2 TRP A 6 31.603 24.867 -1.680 1.00 20.21 C ATOM 92 NE1 TRP A 6 32.364 26.981 -1.710 1.00 19.81 N ATOM 93 CE2 TRP A 6 32.090 25.904 -2.513 1.00 20.03 C ATOM 94 CE3 TRP A 6 31.248 23.642 -2.260 1.00 19.76 C ATOM 95 CZ2 TRP A 6 32.226 25.755 -3.902 1.00 20.04 C ATOM 96 CZ3 TRP A 6 31.385 23.490 -3.641 1.00 19.85 C ATOM 97 CH2 TRP A 6 31.869 24.546 -4.446 1.00 20.22 C ATOM 98 HA TRP A 6 29.349 23.881 0.006 1.00 0.00 H ATOM 99 HB2 TRP A 6 31.384 25.242 1.776 1.00 0.00 H ATOM 100 HB3 TRP A 6 31.597 23.679 0.953 1.00 0.00 H ATOM 101 HE1 TRP A 6 32.731 27.898 -2.034 1.00 0.00 H ATOM 102 HD1 TRP A 6 32.207 27.317 0.445 1.00 0.00 H ATOM 103 HZ2 TRP A 6 32.600 26.568 -4.525 1.00 0.00 H ATOM 104 HH2 TRP A 6 31.961 24.397 -5.522 1.00 0.00 H ATOM 105 HZ3 TRP A 6 31.114 22.542 -4.106 1.00 0.00 H ATOM 106 HE3 TRP A 6 30.872 22.824 -1.645 1.00 0.00 H ATOM 107 H TRP A 6 29.426 26.605 0.973 1.00 0.00 H ATOM 108 N LYS A 7 28.792 24.308 3.203 1.00 22.35 N ATOM 109 CA LYS A 7 28.256 23.631 4.376 1.00 22.33 C ATOM 110 C LYS A 7 27.130 24.491 4.915 1.00 21.06 C ATOM 111 O LYS A 7 26.901 25.598 4.421 1.00 19.18 O ATOM 112 CB LYS A 7 29.305 23.369 5.443 1.00 34.38 C ATOM 113 CG LYS A 7 30.396 22.385 5.033 1.00 56.78 C ATOM 114 CD LYS A 7 31.391 22.140 6.153 1.00 59.61 C ATOM 115 CE LYS A 7 32.435 21.146 5.704 1.00 62.91 C ATOM 116 NZ LYS A 7 33.442 20.844 6.750 1.00 63.67 N ATOM 117 HA LYS A 7 27.894 22.645 4.086 1.00 0.00 H ATOM 118 HB2 LYS A 7 29.779 24.318 5.694 1.00 0.00 H ATOM 119 HB3 LYS A 7 28.802 22.971 6.324 1.00 0.00 H ATOM 120 HG2 LYS A 7 29.931 21.437 4.761 1.00 0.00 H ATOM 121 HG3 LYS A 7 30.928 22.788 4.171 1.00 0.00 H ATOM 122 HD2 LYS A 7 31.876 23.079 6.418 1.00 0.00 H ATOM 123 HD3 LYS A 7 30.866 21.745 7.023 1.00 0.00 H ATOM 124 HE2 LYS A 7 32.950 21.553 4.834 1.00 0.00 H ATOM 125 HE3 LYS A 7 31.934 20.218 5.427 1.00 0.00 H ATOM 126 HZ1 LYS A 7 33.935 21.720 7.018 1.00 0.00 H ATOM 127 HZ2 LYS A 7 32.965 20.445 7.584 1.00 0.00 H ATOM 128 HZ3 LYS A 7 34.129 20.157 6.380 1.00 0.00 H ATOM 129 H LYS A 7 28.904 25.342 3.216 1.00 0.00 H ATOM 130 N ARG A 8 26.411 23.971 5.899 1.00 21.72 N ATOM 131 CA ARG A 8 25.267 24.671 6.476 1.00 23.15 C ATOM 132 C ARG A 8 25.533 26.094 6.936 1.00 23.84 C ATOM 133 O ARG A 8 26.440 26.342 7.730 1.00 23.69 O ATOM 134 CB ARG A 8 24.678 23.858 7.624 1.00 21.80 C ATOM 135 CG ARG A 8 24.062 22.549 7.174 1.00 22.58 C ATOM 136 CD ARG A 8 23.590 21.743 8.355 1.00 23.37 C ATOM 137 NE ARG A 8 23.134 20.417 7.951 1.00 26.22 N ATOM 138 CZ ARG A 8 23.108 19.363 8.760 1.00 32.17 C ATOM 139 NH1 ARG A 8 23.509 19.484 10.020 1.00 28.96 N ATOM 140 NH2 ARG A 8 22.676 18.190 8.316 1.00 29.28 N ATOM 141 HA ARG A 8 24.556 24.765 5.655 1.00 0.00 H ATOM 142 HB2 ARG A 8 25.472 23.640 8.338 1.00 0.00 H ATOM 143 HB3 ARG A 8 23.907 24.455 8.111 1.00 0.00 H ATOM 144 HG2 ARG A 8 23.214 22.759 6.523 1.00 0.00 H ATOM 145 HG3 ARG A 8 24.807 21.974 6.624 1.00 0.00 H ATOM 146 HD2 ARG A 8 22.766 22.269 8.837 1.00 0.00 H ATOM 147 HD3 ARG A 8 24.413 21.635 9.062 1.00 0.00 H ATOM 148 HE ARG A 8 22.810 20.289 6.971 1.00 0.00 H ATOM 149 HH12 ARG A 8 23.489 18.660 10.654 1.00 0.00 H ATOM 150 HH11 ARG A 8 23.843 20.403 10.373 1.00 0.00 H ATOM 151 HH22 ARG A 8 22.657 17.368 8.953 1.00 0.00 H ATOM 152 HH21 ARG A 8 22.356 18.093 7.331 1.00 0.00 H ATOM 153 H ARG A 8 26.670 23.035 6.272 1.00 0.00 H ATOM 154 N PRO A 9 24.745 27.058 6.427 1.00 23.73 N ATOM 155 CA PRO A 9 24.943 28.453 6.833 1.00 23.40 C ATOM 156 C PRO A 9 24.454 28.712 8.261 1.00 23.67 C ATOM 157 O PRO A 9 23.389 29.288 8.465 1.00 22.85 O ATOM 158 CB PRO A 9 24.131 29.225 5.790 1.00 22.81 C ATOM 159 CG PRO A 9 23.021 28.263 5.449 1.00 22.89 C ATOM 160 CD PRO A 9 23.762 26.957 5.334 1.00 23.29 C ATOM 161 HA PRO A 9 25.992 28.749 6.860 1.00 0.00 H ATOM 162 HD3 PRO A 9 23.093 26.109 5.481 1.00 0.00 H ATOM 163 HD2 PRO A 9 24.255 26.866 4.366 1.00 0.00 H ATOM 164 HG3 PRO A 9 22.540 28.530 4.508 1.00 0.00 H ATOM 165 HG2 PRO A 9 22.272 28.225 6.240 1.00 0.00 H ATOM 166 HB2 PRO A 9 23.734 30.150 6.208 1.00 0.00 H ATOM 167 HB3 PRO A 9 24.736 29.454 4.912 1.00 0.00 H ATOM 168 N LEU A 10 25.225 28.248 9.245 1.00 24.05 N ATOM 169 CA LEU A 10 24.896 28.425 10.659 1.00 23.74 C ATOM 170 C LEU A 10 25.522 29.727 11.173 1.00 23.51 C ATOM 171 O LEU A 10 26.657 30.056 10.814 1.00 25.65 O ATOM 172 CB LEU A 10 25.451 27.246 11.468 1.00 24.89 C ATOM 173 CG LEU A 10 24.577 26.095 11.984 1.00 27.62 C ATOM 174 CD1 LEU A 10 23.329 25.892 11.154 1.00 27.98 C ATOM 175 CD2 LEU A 10 25.419 24.827 12.010 1.00 27.31 C ATOM 176 HA LEU A 10 23.813 28.469 10.772 1.00 0.00 H ATOM 177 HB2 LEU A 10 26.214 26.785 10.841 1.00 0.00 H ATOM 178 HB3 LEU A 10 25.922 27.682 12.349 1.00 0.00 H ATOM 179 HG LEU A 10 24.233 26.346 12.987 1.00 0.00 H ATOM 180 HD21 LEU A 10 25.772 24.606 11.003 1.00 0.00 H ATOM 181 HD22 LEU A 10 26.273 24.973 12.671 1.00 0.00 H ATOM 182 HD23 LEU A 10 24.813 23.997 12.375 1.00 0.00 H ATOM 183 HD11 LEU A 10 22.729 26.802 11.173 1.00 0.00 H ATOM 184 HD12 LEU A 10 23.611 25.663 10.126 1.00 0.00 H ATOM 185 HD13 LEU A 10 22.751 25.065 11.566 1.00 0.00 H ATOM 186 H LEU A 10 26.097 27.739 8.996 1.00 0.00 H ATOM 187 N VAL A 11 24.777 30.483 11.975 1.00 20.50 N ATOM 188 CA VAL A 11 25.278 31.736 12.554 1.00 19.20 C ATOM 189 C VAL A 11 24.871 31.809 14.016 1.00 18.98 C ATOM 190 O VAL A 11 23.977 31.077 14.447 1.00 19.07 O ATOM 191 CB VAL A 11 24.710 33.005 11.848 1.00 18.39 C ATOM 192 CG1 VAL A 11 25.182 33.079 10.410 1.00 18.82 C ATOM 193 CG2 VAL A 11 23.189 33.038 11.933 1.00 17.37 C ATOM 194 HA VAL A 11 26.360 31.726 12.426 1.00 0.00 H ATOM 195 HB VAL A 11 25.091 33.884 12.369 1.00 0.00 H ATOM 196 HG11 VAL A 11 26.271 33.122 10.388 1.00 0.00 H ATOM 197 HG12 VAL A 11 24.841 32.195 9.871 1.00 0.00 H ATOM 198 HG13 VAL A 11 24.772 33.973 9.940 1.00 0.00 H ATOM 199 HG21 VAL A 11 22.780 32.152 11.447 1.00 0.00 H ATOM 200 HG22 VAL A 11 22.885 33.052 12.980 1.00 0.00 H ATOM 201 HG23 VAL A 11 22.818 33.933 11.433 1.00 0.00 H ATOM 202 H VAL A 11 23.809 30.177 12.199 1.00 0.00 H ATOM 203 N THR A 12 25.547 32.662 14.781 1.00 18.18 N ATOM 204 CA THR A 12 25.222 32.843 16.188 1.00 19.55 C ATOM 205 C THR A 12 24.167 33.950 16.266 1.00 23.48 C ATOM 206 O THR A 12 24.260 34.971 15.574 1.00 23.50 O ATOM 207 CB THR A 12 26.455 33.253 17.016 1.00 26.59 C ATOM 208 OG1 THR A 12 27.524 32.326 16.793 1.00 32.24 O ATOM 209 CG2 THR A 12 26.118 33.248 18.493 1.00 27.62 C ATOM 210 HA THR A 12 24.858 31.902 16.600 1.00 0.00 H ATOM 211 HB THR A 12 26.757 34.254 16.708 1.00 0.00 H ATOM 212 HG1 THR A 12 27.235 31.419 17.065 1.00 0.00 H ATOM 213 HG23 THR A 12 25.305 33.949 18.681 1.00 0.00 H ATOM 214 HG21 THR A 12 25.811 32.245 18.791 1.00 0.00 H ATOM 215 HG22 THR A 12 26.996 33.546 19.066 1.00 0.00 H ATOM 216 H THR A 12 26.325 33.212 14.364 1.00 0.00 H ATOM 217 N ILE A 13 23.147 33.727 17.084 1.00 24.69 N ATOM 218 CA ILE A 13 22.068 34.687 17.252 1.00 26.22 C ATOM 219 C ILE A 13 21.868 34.954 18.738 1.00 27.42 C ATOM 220 O ILE A 13 22.389 34.224 19.581 1.00 29.50 O ATOM 221 CB ILE A 13 20.727 34.154 16.670 1.00 26.76 C ATOM 222 CG1 ILE A 13 20.295 32.882 17.414 1.00 29.80 C ATOM 223 CG2 ILE A 13 20.864 33.891 15.177 1.00 25.01 C ATOM 224 CD1 ILE A 13 18.846 32.481 17.189 1.00 28.07 C ATOM 225 HA ILE A 13 22.344 35.596 16.718 1.00 0.00 H ATOM 226 HB ILE A 13 19.956 34.911 16.811 1.00 0.00 H ATOM 227 HG12 ILE A 13 20.931 32.061 17.083 1.00 0.00 H ATOM 228 HG13 ILE A 13 20.441 33.046 18.482 1.00 0.00 H ATOM 229 HD11 ILE A 13 18.191 33.284 17.527 1.00 0.00 H ATOM 230 HD12 ILE A 13 18.681 32.299 16.127 1.00 0.00 H ATOM 231 HD13 ILE A 13 18.630 31.573 17.752 1.00 0.00 H ATOM 232 HG21 ILE A 13 21.129 34.818 14.669 1.00 0.00 H ATOM 233 HG22 ILE A 13 21.644 33.148 15.010 1.00 0.00 H ATOM 234 HG23 ILE A 13 19.917 33.519 14.787 1.00 0.00 H ATOM 235 H ILE A 13 23.118 32.838 17.622 1.00 0.00 H ATOM 236 N LYS A 14 21.125 36.007 19.054 1.00 26.72 N ATOM 237 CA LYS A 14 20.845 36.351 20.437 1.00 27.07 C ATOM 238 C LYS A 14 19.354 36.620 20.509 1.00 27.11 C ATOM 239 O LYS A 14 18.833 37.491 19.804 1.00 26.73 O ATOM 240 CB LYS A 14 21.636 37.590 20.848 1.00 33.78 C ATOM 241 CG LYS A 14 21.639 37.882 22.342 1.00 44.87 C ATOM 242 CD LYS A 14 22.447 39.150 22.620 1.00 55.58 C ATOM 243 CE LYS A 14 22.374 39.561 24.078 1.00 63.98 C ATOM 244 NZ LYS A 14 23.034 38.567 24.959 1.00 71.15 N ATOM 245 HA LYS A 14 21.135 35.548 21.115 1.00 0.00 H ATOM 246 HB2 LYS A 14 22.669 37.455 20.527 1.00 0.00 H ATOM 247 HB3 LYS A 14 21.208 38.451 20.335 1.00 0.00 H ATOM 248 HG2 LYS A 14 20.614 38.023 22.686 1.00 0.00 H ATOM 249 HG3 LYS A 14 22.087 37.043 22.874 1.00 0.00 H ATOM 250 HD2 LYS A 14 23.489 38.969 22.357 1.00 0.00 H ATOM 251 HD3 LYS A 14 22.054 39.960 22.005 1.00 0.00 H ATOM 252 HE2 LYS A 14 21.327 39.652 24.368 1.00 0.00 H ATOM 253 HE3 LYS A 14 22.868 40.525 24.199 1.00 0.00 H ATOM 254 HZ1 LYS A 14 22.564 37.645 24.853 1.00 0.00 H ATOM 255 HZ2 LYS A 14 24.035 38.479 24.692 1.00 0.00 H ATOM 256 HZ3 LYS A 14 22.964 38.882 25.948 1.00 0.00 H ATOM 257 H LYS A 14 20.734 36.600 18.294 1.00 0.00 H ATOM 258 N ILE A 15 18.660 35.816 21.301 1.00 27.66 N ATOM 259 CA ILE A 15 17.225 35.961 21.459 1.00 29.01 C ATOM 260 C ILE A 15 16.890 35.721 22.920 1.00 30.51 C ATOM 261 O ILE A 15 17.414 34.788 23.537 1.00 30.96 O ATOM 262 CB ILE A 15 16.449 34.971 20.548 1.00 27.83 C ATOM 263 CG1 ILE A 15 14.941 35.172 20.714 1.00 25.79 C ATOM 264 CG2 ILE A 15 16.852 33.542 20.849 1.00 27.78 C ATOM 265 CD1 ILE A 15 14.108 34.280 19.851 1.00 27.07 C ATOM 266 HA ILE A 15 16.924 36.965 21.160 1.00 0.00 H ATOM 267 HB ILE A 15 16.705 35.174 19.508 1.00 0.00 H ATOM 268 HG12 ILE A 15 14.682 34.980 21.755 1.00 0.00 H ATOM 269 HG13 ILE A 15 14.704 36.207 20.467 1.00 0.00 H ATOM 270 HD11 ILE A 15 14.344 34.467 18.803 1.00 0.00 H ATOM 271 HD12 ILE A 15 14.322 33.239 20.093 1.00 0.00 H ATOM 272 HD13 ILE A 15 13.053 34.486 20.029 1.00 0.00 H ATOM 273 HG21 ILE A 15 17.921 33.422 20.672 1.00 0.00 H ATOM 274 HG22 ILE A 15 16.627 33.314 21.891 1.00 0.00 H ATOM 275 HG23 ILE A 15 16.297 32.865 20.200 1.00 0.00 H ATOM 276 H ILE A 15 19.155 35.064 21.821 1.00 0.00 H ATOM 277 N GLY A 16 16.079 36.609 23.487 1.00 31.18 N ATOM 278 CA GLY A 16 15.694 36.482 24.881 1.00 32.58 C ATOM 279 C GLY A 16 16.881 36.475 25.830 1.00 34.13 C ATOM 280 O GLY A 16 16.812 35.885 26.908 1.00 34.03 O ATOM 281 HA3 GLY A 16 15.145 35.549 25.006 1.00 0.00 H ATOM 282 HA2 GLY A 16 15.047 37.320 25.140 1.00 0.00 H ATOM 283 H GLY A 16 15.716 37.405 22.925 1.00 0.00 H ATOM 284 N GLY A 17 17.966 37.132 25.428 1.00 35.03 N ATOM 285 CA GLY A 17 19.159 37.186 26.253 1.00 36.49 C ATOM 286 C GLY A 17 19.924 35.877 26.291 1.00 38.52 C ATOM 287 O GLY A 17 20.687 35.626 27.223 1.00 40.57 O ATOM 288 HA3 GLY A 17 18.865 37.444 27.270 1.00 0.00 H ATOM 289 HA2 GLY A 17 19.817 37.960 25.859 1.00 0.00 H ATOM 290 H GLY A 17 17.959 37.615 24.507 1.00 0.00 H ATOM 291 N GLN A 18 19.701 35.025 25.298 1.00 38.42 N ATOM 292 CA GLN A 18 20.385 33.735 25.216 1.00 38.28 C ATOM 293 C GLN A 18 21.102 33.651 23.865 1.00 37.41 C ATOM 294 O GLN A 18 20.563 34.078 22.847 1.00 37.05 O ATOM 295 CB GLN A 18 19.377 32.580 25.385 1.00 36.65 C ATOM 296 CG GLN A 18 18.678 32.570 26.751 1.00 42.09 C ATOM 297 CD GLN A 18 17.561 31.533 26.877 1.00 50.65 C ATOM 298 OE1 GLN A 18 17.595 30.470 26.251 1.00 47.31 O ATOM 299 NE2 GLN A 18 16.575 31.836 27.715 1.00 50.48 N ATOM 300 HA GLN A 18 21.117 33.647 26.019 1.00 0.00 H ATOM 301 HB2 GLN A 18 18.617 32.669 24.609 1.00 0.00 H ATOM 302 HB3 GLN A 18 19.910 31.637 25.263 1.00 0.00 H ATOM 303 HG2 GLN A 18 19.426 32.362 27.516 1.00 0.00 H ATOM 304 HG3 GLN A 18 18.249 33.557 26.923 1.00 0.00 H ATOM 305 HE22 GLN A 18 16.585 32.743 28.223 1.00 0.00 H ATOM 306 HE21 GLN A 18 15.794 31.166 27.863 1.00 0.00 H ATOM 307 H GLN A 18 19.019 35.283 24.556 1.00 0.00 H ATOM 308 N LEU A 19 22.348 33.192 23.871 1.00 37.02 N ATOM 309 CA LEU A 19 23.121 33.060 22.636 1.00 36.36 C ATOM 310 C LEU A 19 22.801 31.666 22.072 1.00 35.21 C ATOM 311 O LEU A 19 22.761 30.693 22.829 1.00 35.85 O ATOM 312 CB LEU A 19 24.620 33.201 22.945 1.00 36.37 C ATOM 313 CG LEU A 19 25.474 34.127 22.070 1.00 38.15 C ATOM 314 CD1 LEU A 19 24.929 35.546 22.086 1.00 37.99 C ATOM 315 CD2 LEU A 19 26.904 34.120 22.572 1.00 41.24 C ATOM 316 HA LEU A 19 22.866 33.834 21.912 1.00 0.00 H ATOM 317 HB2 LEU A 19 24.703 33.563 23.970 1.00 0.00 H ATOM 318 HB3 LEU A 19 25.056 32.204 22.877 1.00 0.00 H ATOM 319 HG LEU A 19 25.442 33.761 21.044 1.00 0.00 H ATOM 320 HD21 LEU A 19 26.927 34.471 23.604 1.00 0.00 H ATOM 321 HD22 LEU A 19 27.300 33.106 22.523 1.00 0.00 H ATOM 322 HD23 LEU A 19 27.510 34.778 21.949 1.00 0.00 H ATOM 323 HD11 LEU A 19 23.908 35.546 21.704 1.00 0.00 H ATOM 324 HD12 LEU A 19 24.936 35.925 23.108 1.00 0.00 H ATOM 325 HD13 LEU A 19 25.554 36.181 21.458 1.00 0.00 H ATOM 326 H LEU A 19 22.785 32.920 24.775 1.00 0.00 H ATOM 327 N LYS A 20 22.519 31.571 20.773 1.00 32.50 N ATOM 328 CA LYS A 20 22.186 30.287 20.146 1.00 29.05 C ATOM 329 C LYS A 20 22.739 30.195 18.734 1.00 28.59 C ATOM 330 O LYS A 20 23.241 31.179 18.192 1.00 30.33 O ATOM 331 CB LYS A 20 20.667 30.106 20.055 1.00 22.68 C ATOM 332 CG LYS A 20 19.926 30.102 21.369 1.00 26.11 C ATOM 333 CD LYS A 20 18.435 29.964 21.130 1.00 30.31 C ATOM 334 CE LYS A 20 17.648 30.235 22.394 1.00 43.28 C ATOM 335 NZ LYS A 20 17.972 29.279 23.484 1.00 56.65 N ATOM 336 HA LYS A 20 22.631 29.512 20.770 1.00 0.00 H ATOM 337 HB2 LYS A 20 20.269 30.920 19.449 1.00 0.00 H ATOM 338 HB3 LYS A 20 20.472 29.156 19.558 1.00 0.00 H ATOM 339 HG2 LYS A 20 20.273 29.265 21.975 1.00 0.00 H ATOM 340 HG3 LYS A 20 20.121 31.036 21.896 1.00 0.00 H ATOM 341 HD2 LYS A 20 18.131 30.676 20.362 1.00 0.00 H ATOM 342 HD3 LYS A 20 18.222 28.951 20.789 1.00 0.00 H ATOM 343 HE2 LYS A 20 16.585 30.159 22.167 1.00 0.00 H ATOM 344 HE3 LYS A 20 17.874 31.245 22.736 1.00 0.00 H ATOM 345 HZ1 LYS A 20 17.753 28.312 23.172 1.00 0.00 H ATOM 346 HZ2 LYS A 20 18.983 29.349 23.715 1.00 0.00 H ATOM 347 HZ3 LYS A 20 17.406 29.510 24.325 1.00 0.00 H ATOM 348 H LYS A 20 22.535 32.431 20.188 1.00 0.00 H ATOM 349 N GLU A 21 22.668 29.001 18.150 1.00 26.80 N ATOM 350 CA GLU A 21 23.109 28.787 16.772 1.00 25.88 C ATOM 351 C GLU A 21 21.850 28.581 15.949 1.00 23.93 C ATOM 352 O GLU A 21 20.911 27.926 16.401 1.00 24.10 O ATOM 353 CB GLU A 21 24.008 27.557 16.638 1.00 28.44 C ATOM 354 CG GLU A 21 25.460 27.779 17.032 1.00 42.58 C ATOM 355 CD GLU A 21 26.207 28.705 16.085 1.00 50.81 C ATOM 356 OE1 GLU A 21 26.236 28.431 14.866 1.00 48.81 O ATOM 357 OE2 GLU A 21 26.787 29.699 16.569 1.00 64.99 O ATOM 358 HA GLU A 21 23.694 29.643 16.435 1.00 0.00 H ATOM 359 HB2 GLU A 21 23.601 26.769 17.272 1.00 0.00 H ATOM 360 HB3 GLU A 21 23.985 27.232 15.598 1.00 0.00 H ATOM 361 HG2 GLU A 21 25.485 28.213 18.032 1.00 0.00 H ATOM 362 HG3 GLU A 21 25.967 26.814 17.044 1.00 0.00 H ATOM 363 H GLU A 21 22.288 28.197 18.689 1.00 0.00 H ATOM 364 N ALA A 22 21.830 29.132 14.745 1.00 20.44 N ATOM 365 CA ALA A 22 20.668 29.013 13.885 1.00 19.17 C ATOM 366 C ALA A 22 21.104 28.930 12.450 1.00 19.44 C ATOM 367 O ALA A 22 22.189 29.381 12.094 1.00 21.24 O ATOM 368 CB ALA A 22 19.745 30.203 14.079 1.00 19.06 C ATOM 369 HA ALA A 22 20.126 28.105 14.148 1.00 0.00 H ATOM 370 HB1 ALA A 22 19.417 30.241 15.118 1.00 0.00 H ATOM 371 HB2 ALA A 22 20.280 31.120 13.831 1.00 0.00 H ATOM 372 HB3 ALA A 22 18.878 30.099 13.427 1.00 0.00 H ATOM 373 H ALA A 22 22.662 29.659 14.410 1.00 0.00 H ATOM 374 N LEU A 23 20.237 28.353 11.630 1.00 18.82 N ATOM 375 CA LEU A 23 20.476 28.173 10.211 1.00 18.66 C ATOM 376 C LEU A 23 19.815 29.270 9.367 1.00 19.18 C ATOM 377 O LEU A 23 18.624 29.555 9.530 1.00 20.73 O ATOM 378 CB LEU A 23 19.901 26.818 9.807 1.00 18.82 C ATOM 379 CG LEU A 23 20.073 26.367 8.364 1.00 19.62 C ATOM 380 CD1 LEU A 23 21.525 25.955 8.122 1.00 19.54 C ATOM 381 CD2 LEU A 23 19.115 25.213 8.110 1.00 18.19 C ATOM 382 HA LEU A 23 21.550 28.226 10.030 1.00 0.00 H ATOM 383 HB2 LEU A 23 20.371 26.065 10.440 1.00 0.00 H ATOM 384 HB3 LEU A 23 18.831 26.846 10.012 1.00 0.00 H ATOM 385 HG LEU A 23 19.843 27.178 7.673 1.00 0.00 H ATOM 386 HD21 LEU A 23 19.347 24.393 8.790 1.00 0.00 H ATOM 387 HD22 LEU A 23 18.092 25.548 8.279 1.00 0.00 H ATOM 388 HD23 LEU A 23 19.222 24.874 7.080 1.00 0.00 H ATOM 389 HD11 LEU A 23 22.180 26.805 8.316 1.00 0.00 H ATOM 390 HD12 LEU A 23 21.785 25.135 8.791 1.00 0.00 H ATOM 391 HD13 LEU A 23 21.642 25.633 7.087 1.00 0.00 H ATOM 392 H LEU A 23 19.338 28.011 12.025 1.00 0.00 H ATOM 393 N LEU A 24 20.576 29.892 8.473 1.00 18.59 N ATOM 394 CA LEU A 24 20.016 30.919 7.596 1.00 17.99 C ATOM 395 C LEU A 24 19.260 30.123 6.537 1.00 18.06 C ATOM 396 O LEU A 24 19.855 29.553 5.622 1.00 18.58 O ATOM 397 CB LEU A 24 21.121 31.782 6.978 1.00 16.94 C ATOM 398 CG LEU A 24 21.987 32.536 7.988 1.00 16.51 C ATOM 399 CD1 LEU A 24 22.970 33.429 7.250 1.00 16.10 C ATOM 400 CD2 LEU A 24 21.118 33.366 8.919 1.00 14.31 C ATOM 401 HA LEU A 24 19.370 31.620 8.124 1.00 0.00 H ATOM 402 HB2 LEU A 24 21.771 31.132 6.392 1.00 0.00 H ATOM 403 HB3 LEU A 24 20.652 32.514 6.320 1.00 0.00 H ATOM 404 HG LEU A 24 22.540 31.814 8.589 1.00 0.00 H ATOM 405 HD21 LEU A 24 20.546 34.086 8.334 1.00 0.00 H ATOM 406 HD22 LEU A 24 20.435 32.709 9.458 1.00 0.00 H ATOM 407 HD23 LEU A 24 21.752 33.895 9.630 1.00 0.00 H ATOM 408 HD11 LEU A 24 23.607 32.816 6.612 1.00 0.00 H ATOM 409 HD12 LEU A 24 22.420 34.144 6.638 1.00 0.00 H ATOM 410 HD13 LEU A 24 23.585 33.965 7.973 1.00 0.00 H ATOM 411 H LEU A 24 21.583 29.645 8.396 1.00 0.00 H ATOM 412 N ASP A 25 17.939 30.130 6.657 1.00 17.27 N ATOM 413 CA ASP A 25 17.054 29.343 5.812 1.00 15.20 C ATOM 414 C ASP A 25 16.150 30.106 4.844 1.00 15.33 C ATOM 415 O ASP A 25 15.031 30.463 5.207 1.00 16.53 O ATOM 416 CB ASP A 25 16.192 28.527 6.778 1.00 16.71 C ATOM 417 CG ASP A 25 15.491 27.364 6.131 1.00 16.91 C ATOM 418 OD1 ASP A 25 15.413 27.271 4.884 1.00 18.26 O ATOM 419 OD2 ASP A 25 14.999 26.534 6.915 1.00 19.87 O ATOM 420 HA ASP A 25 17.685 28.757 5.143 1.00 0.00 H ATOM 421 HB2 ASP A 25 16.833 28.144 7.572 1.00 0.00 H ATOM 422 HB3 ASP A 25 15.439 29.187 7.208 1.00 0.00 H ATOM 423 H ASP A 25 17.514 30.729 7.393 1.00 0.00 H ATOM 424 N THR A 26 16.570 30.259 3.593 1.00 14.34 N ATOM 425 CA THR A 26 15.740 30.960 2.612 1.00 15.39 C ATOM 426 C THR A 26 14.477 30.173 2.247 1.00 17.72 C ATOM 427 O THR A 26 13.564 30.723 1.626 1.00 18.17 O ATOM 428 CB THR A 26 16.491 31.246 1.312 1.00 14.58 C ATOM 429 OG1 THR A 26 16.917 30.009 0.732 1.00 14.02 O ATOM 430 CG2 THR A 26 17.704 32.128 1.569 1.00 17.32 C ATOM 431 HA THR A 26 15.468 31.896 3.099 1.00 0.00 H ATOM 432 HB THR A 26 15.821 31.770 0.630 1.00 0.00 H ATOM 433 HG1 THR A 26 16.126 29.445 0.542 1.00 0.00 H ATOM 434 HG23 THR A 26 17.380 33.070 2.011 1.00 0.00 H ATOM 435 HG21 THR A 26 18.383 31.619 2.253 1.00 0.00 H ATOM 436 HG22 THR A 26 18.215 32.324 0.627 1.00 0.00 H ATOM 437 H THR A 26 17.495 29.878 3.309 1.00 0.00 H ATOM 438 N GLY A 27 14.434 28.890 2.605 1.00 16.85 N ATOM 439 CA GLY A 27 13.270 28.077 2.292 1.00 16.81 C ATOM 440 C GLY A 27 12.178 28.178 3.344 1.00 17.71 C ATOM 441 O GLY A 27 11.107 27.580 3.202 1.00 18.32 O ATOM 442 HA3 GLY A 27 13.583 27.036 2.214 1.00 0.00 H ATOM 443 HA2 GLY A 27 12.863 28.405 1.335 1.00 0.00 H ATOM 444 H GLY A 27 15.238 28.468 3.111 1.00 0.00 H ATOM 445 N ALA A 28 12.440 28.953 4.393 1.00 18.14 N ATOM 446 CA ALA A 28 11.489 29.136 5.484 1.00 18.84 C ATOM 447 C ALA A 28 10.765 30.482 5.488 1.00 19.66 C ATOM 448 O ALA A 28 11.408 31.539 5.439 1.00 20.45 O ATOM 449 CB ALA A 28 12.196 28.944 6.818 1.00 18.94 C ATOM 450 HA ALA A 28 10.718 28.382 5.327 1.00 0.00 H ATOM 451 HB1 ALA A 28 12.612 27.938 6.866 1.00 0.00 H ATOM 452 HB2 ALA A 28 12.999 29.675 6.911 1.00 0.00 H ATOM 453 HB3 ALA A 28 11.482 29.082 7.630 1.00 0.00 H ATOM 454 H ALA A 28 13.355 29.446 4.437 1.00 0.00 H ATOM 455 N ASP A 29 9.434 30.446 5.562 1.00 18.53 N ATOM 456 CA ASP A 29 8.645 31.678 5.628 1.00 18.26 C ATOM 457 C ASP A 29 8.848 32.329 6.986 1.00 19.99 C ATOM 458 O ASP A 29 8.932 33.552 7.079 1.00 22.12 O ATOM 459 CB ASP A 29 7.137 31.421 5.521 1.00 14.60 C ATOM 460 CG ASP A 29 6.722 30.813 4.215 1.00 16.05 C ATOM 461 OD1 ASP A 29 7.454 30.931 3.209 1.00 18.26 O ATOM 462 OD2 ASP A 29 5.623 30.222 4.202 1.00 18.45 O ATOM 463 HA ASP A 29 8.977 32.298 4.796 1.00 0.00 H ATOM 464 HB2 ASP A 29 6.845 30.745 6.324 1.00 0.00 H ATOM 465 HB3 ASP A 29 6.616 32.371 5.640 1.00 0.00 H ATOM 466 H ASP A 29 8.948 29.527 5.573 1.00 0.00 H ATOM 467 N ASP A 30 8.895 31.505 8.035 1.00 19.18 N ATOM 468 CA ASP A 30 9.028 31.976 9.412 1.00 18.21 C ATOM 469 C ASP A 30 10.378 31.659 10.056 1.00 18.03 C ATOM 470 O ASP A 30 11.223 30.976 9.477 1.00 19.32 O ATOM 471 CB ASP A 30 7.945 31.336 10.299 1.00 20.80 C ATOM 472 CG ASP A 30 6.610 31.151 9.587 1.00 24.43 C ATOM 473 OD1 ASP A 30 5.976 32.158 9.214 1.00 25.16 O ATOM 474 OD2 ASP A 30 6.189 29.986 9.425 1.00 26.22 O ATOM 475 HA ASP A 30 8.927 33.059 9.349 1.00 0.00 H ATOM 476 HB2 ASP A 30 8.300 30.359 10.627 1.00 0.00 H ATOM 477 HB3 ASP A 30 7.788 31.975 11.168 1.00 0.00 H ATOM 478 H ASP A 30 8.834 30.481 7.865 1.00 0.00 H ATOM 479 N THR A 31 10.545 32.141 11.278 1.00 16.84 N ATOM 480 CA THR A 31 11.739 31.909 12.075 1.00 17.92 C ATOM 481 C THR A 31 11.220 31.008 13.197 1.00 17.62 C ATOM 482 O THR A 31 10.232 31.346 13.864 1.00 17.11 O ATOM 483 CB THR A 31 12.308 33.251 12.626 1.00 14.12 C ATOM 484 OG1 THR A 31 12.833 34.014 11.534 1.00 16.10 O ATOM 485 CG2 THR A 31 13.400 33.017 13.652 1.00 12.95 C ATOM 486 HA THR A 31 12.562 31.462 11.517 1.00 0.00 H ATOM 487 HB THR A 31 11.500 33.792 13.119 1.00 0.00 H ATOM 488 HG1 THR A 31 12.110 34.198 10.884 1.00 0.00 H ATOM 489 HG23 THR A 31 12.998 32.436 14.482 1.00 0.00 H ATOM 490 HG21 THR A 31 14.221 32.471 13.188 1.00 0.00 H ATOM 491 HG22 THR A 31 13.763 33.977 14.020 1.00 0.00 H ATOM 492 H THR A 31 9.782 32.716 11.689 1.00 0.00 H ATOM 493 N VAL A 32 11.821 29.828 13.330 1.00 16.86 N ATOM 494 CA VAL A 32 11.404 28.851 14.330 1.00 17.05 C ATOM 495 C VAL A 32 12.571 28.501 15.254 1.00 18.96 C ATOM 496 O VAL A 32 13.635 28.065 14.799 1.00 17.92 O ATOM 497 CB VAL A 32 10.859 27.543 13.648 1.00 15.59 C ATOM 498 CG1 VAL A 32 10.125 26.676 14.659 1.00 14.93 C ATOM 499 CG2 VAL A 32 9.947 27.889 12.471 1.00 15.23 C ATOM 500 HA VAL A 32 10.602 29.297 14.918 1.00 0.00 H ATOM 501 HB VAL A 32 11.709 26.977 13.267 1.00 0.00 H ATOM 502 HG11 VAL A 32 10.809 26.397 15.461 1.00 0.00 H ATOM 503 HG12 VAL A 32 9.285 27.234 15.073 1.00 0.00 H ATOM 504 HG13 VAL A 32 9.757 25.777 14.165 1.00 0.00 H ATOM 505 HG21 VAL A 32 9.103 28.479 12.828 1.00 0.00 H ATOM 506 HG22 VAL A 32 10.509 28.464 11.735 1.00 0.00 H ATOM 507 HG23 VAL A 32 9.581 26.970 12.014 1.00 0.00 H ATOM 508 H VAL A 32 12.615 29.595 12.700 1.00 0.00 H ATOM 509 N ILE A 33 12.379 28.756 16.544 1.00 21.90 N ATOM 510 CA ILE A 33 13.387 28.476 17.560 1.00 23.96 C ATOM 511 C ILE A 33 12.955 27.273 18.412 1.00 24.65 C ATOM 512 O ILE A 33 11.761 27.062 18.654 1.00 23.10 O ATOM 513 CB ILE A 33 13.619 29.720 18.479 1.00 23.77 C ATOM 514 CG1 ILE A 33 14.030 30.933 17.634 1.00 23.12 C ATOM 515 CG2 ILE A 33 14.677 29.426 19.541 1.00 23.66 C ATOM 516 CD1 ILE A 33 15.248 30.702 16.760 1.00 23.31 C ATOM 517 HA ILE A 33 14.324 28.244 17.053 1.00 0.00 H ATOM 518 HB ILE A 33 12.683 29.947 18.990 1.00 0.00 H ATOM 519 HG12 ILE A 33 13.193 31.200 16.989 1.00 0.00 H ATOM 520 HG13 ILE A 33 14.246 31.762 18.308 1.00 0.00 H ATOM 521 HD11 ILE A 33 16.101 30.447 17.388 1.00 0.00 H ATOM 522 HD12 ILE A 33 15.047 29.884 16.068 1.00 0.00 H ATOM 523 HD13 ILE A 33 15.468 31.610 16.198 1.00 0.00 H ATOM 524 HG21 ILE A 33 14.347 28.591 20.159 1.00 0.00 H ATOM 525 HG22 ILE A 33 15.618 29.170 19.054 1.00 0.00 H ATOM 526 HG23 ILE A 33 14.818 30.308 20.166 1.00 0.00 H ATOM 527 H ILE A 33 11.473 29.172 16.841 1.00 0.00 H ATOM 528 N GLU A 34 13.928 26.463 18.816 1.00 25.39 N ATOM 529 CA GLU A 34 13.676 25.301 19.649 1.00 25.67 C ATOM 530 C GLU A 34 13.083 25.756 20.973 1.00 25.94 C ATOM 531 O GLU A 34 13.358 26.866 21.438 1.00 26.98 O ATOM 532 CB GLU A 34 14.970 24.523 19.880 1.00 25.43 C ATOM 533 CG GLU A 34 15.460 23.800 18.639 1.00 31.31 C ATOM 534 CD GLU A 34 16.838 23.181 18.803 1.00 41.47 C ATOM 535 OE1 GLU A 34 17.412 23.256 19.913 1.00 52.08 O ATOM 536 OE2 GLU A 34 17.351 22.625 17.807 1.00 39.12 O ATOM 537 HA GLU A 34 12.970 24.640 19.147 1.00 0.00 H ATOM 538 HB2 GLU A 34 15.742 25.222 20.202 1.00 0.00 H ATOM 539 HB3 GLU A 34 14.797 23.787 20.665 1.00 0.00 H ATOM 540 HG2 GLU A 34 14.752 23.007 18.399 1.00 0.00 H ATOM 541 HG3 GLU A 34 15.498 24.513 17.816 1.00 0.00 H ATOM 542 H GLU A 34 14.905 26.669 18.525 1.00 0.00 H ATOM 543 N GLU A 35 12.281 24.882 21.571 1.00 25.69 N ATOM 544 CA GLU A 35 11.589 25.134 22.831 1.00 25.80 C ATOM 545 C GLU A 35 12.372 26.000 23.828 1.00 25.97 C ATOM 546 O GLU A 35 13.478 25.651 24.258 1.00 25.45 O ATOM 547 CB GLU A 35 11.188 23.794 23.463 1.00 27.18 C ATOM 548 CG GLU A 35 9.806 23.758 24.090 1.00 38.70 C ATOM 549 CD GLU A 35 8.683 23.887 23.081 1.00 56.65 C ATOM 550 OE1 GLU A 35 8.306 22.864 22.468 1.00 61.52 O ATOM 551 OE2 GLU A 35 8.165 25.010 22.914 1.00 69.48 O ATOM 552 HA GLU A 35 10.705 25.723 22.589 1.00 0.00 H ATOM 553 HB2 GLU A 35 11.225 23.031 22.686 1.00 0.00 H ATOM 554 HB3 GLU A 35 11.916 23.556 24.239 1.00 0.00 H ATOM 555 HG2 GLU A 35 9.690 22.811 24.617 1.00 0.00 H ATOM 556 HG3 GLU A 35 9.728 24.580 24.801 1.00 0.00 H ATOM 557 H GLU A 35 12.137 23.960 21.112 1.00 0.00 H ATOM 558 N MET A 36 11.808 27.165 24.133 1.00 26.93 N ATOM 559 CA MET A 36 12.400 28.114 25.072 1.00 27.98 C ATOM 560 C MET A 36 11.290 29.051 25.539 1.00 29.56 C ATOM 561 O MET A 36 10.166 28.998 25.035 1.00 30.29 O ATOM 562 CB MET A 36 13.516 28.937 24.410 1.00 27.54 C ATOM 563 CG MET A 36 13.011 29.993 23.437 1.00 27.89 C ATOM 564 SD MET A 36 14.280 31.110 22.813 1.00 28.58 S ATOM 565 CE MET A 36 14.637 32.068 24.315 1.00 27.82 C ATOM 566 HA MET A 36 12.842 27.570 25.907 1.00 0.00 H ATOM 567 HB2 MET A 36 14.085 29.437 25.194 1.00 0.00 H ATOM 568 HB3 MET A 36 14.170 28.255 23.867 1.00 0.00 H ATOM 569 HG2 MET A 36 12.254 30.589 23.946 1.00 0.00 H ATOM 570 HG3 MET A 36 12.559 29.483 22.586 1.00 0.00 H ATOM 571 HE1 MET A 36 13.730 32.573 24.647 1.00 0.00 H ATOM 572 HE2 MET A 36 14.988 31.396 25.098 1.00 0.00 H ATOM 573 HE3 MET A 36 15.407 32.808 24.098 1.00 0.00 H ATOM 574 H MET A 36 10.904 27.412 23.682 1.00 0.00 H ATOM 575 N SER A 37 11.611 29.910 26.493 1.00 31.28 N ATOM 576 CA SER A 37 10.606 30.845 27.019 1.00 33.91 C ATOM 577 C SER A 37 10.858 32.250 26.466 1.00 33.72 C ATOM 578 O SER A 37 11.989 32.713 26.348 1.00 33.02 O ATOM 579 CB SER A 37 10.681 30.888 28.546 1.00 39.21 C ATOM 580 OG SER A 37 12.024 30.713 28.972 1.00 42.41 O ATOM 581 HA SER A 37 9.618 30.504 26.711 1.00 0.00 H ATOM 582 HB2 SER A 37 10.064 30.091 28.960 1.00 0.00 H ATOM 583 HB3 SER A 37 10.313 31.851 28.899 1.00 0.00 H ATOM 584 HG SER A 37 12.359 29.837 28.654 1.00 0.00 H ATOM 585 H SER A 37 12.579 29.924 26.873 1.00 0.00 H ATOM 586 N LEU A 38 9.761 32.901 26.075 1.00 32.99 N ATOM 587 CA LEU A 38 9.793 34.267 25.580 1.00 32.19 C ATOM 588 C LEU A 38 8.647 34.962 26.297 1.00 33.52 C ATOM 589 O LEU A 38 7.658 34.320 26.667 1.00 33.51 O ATOM 590 CB LEU A 38 9.587 34.326 24.061 1.00 30.88 C ATOM 591 CG LEU A 38 10.778 33.948 23.173 1.00 29.55 C ATOM 592 CD1 LEU A 38 10.384 34.042 21.702 1.00 28.07 C ATOM 593 CD2 LEU A 38 11.969 34.855 23.468 1.00 26.32 C ATOM 594 HA LEU A 38 10.758 34.738 25.769 1.00 0.00 H ATOM 595 HB2 LEU A 38 8.768 33.650 23.815 1.00 0.00 H ATOM 596 HB3 LEU A 38 9.302 35.347 23.809 1.00 0.00 H ATOM 597 HG LEU A 38 11.068 32.920 23.391 1.00 0.00 H ATOM 598 HD21 LEU A 38 11.693 35.891 23.271 1.00 0.00 H ATOM 599 HD22 LEU A 38 12.256 34.747 24.514 1.00 0.00 H ATOM 600 HD23 LEU A 38 12.806 34.573 22.829 1.00 0.00 H ATOM 601 HD11 LEU A 38 9.558 33.359 21.504 1.00 0.00 H ATOM 602 HD12 LEU A 38 10.076 35.062 21.474 1.00 0.00 H ATOM 603 HD13 LEU A 38 11.238 33.771 21.081 1.00 0.00 H ATOM 604 H LEU A 38 8.845 32.411 26.127 1.00 0.00 H ATOM 605 N PRO A 39 8.805 36.256 26.593 1.00 35.71 N ATOM 606 CA PRO A 39 7.785 37.051 27.278 1.00 36.09 C ATOM 607 C PRO A 39 6.713 37.537 26.311 1.00 36.48 C ATOM 608 O PRO A 39 6.933 37.617 25.099 1.00 36.58 O ATOM 609 CB PRO A 39 8.592 38.220 27.823 1.00 36.79 C ATOM 610 CG PRO A 39 9.593 38.441 26.728 1.00 37.29 C ATOM 611 CD PRO A 39 10.048 37.032 26.419 1.00 36.77 C ATOM 612 HA PRO A 39 7.247 36.492 28.043 1.00 0.00 H ATOM 613 HD3 PRO A 39 10.424 36.953 25.399 1.00 0.00 H ATOM 614 HD2 PRO A 39 10.819 36.704 27.116 1.00 0.00 H ATOM 615 HG3 PRO A 39 10.424 39.058 27.070 1.00 0.00 H ATOM 616 HG2 PRO A 39 9.130 38.907 25.858 1.00 0.00 H ATOM 617 HB2 PRO A 39 7.966 39.100 27.972 1.00 0.00 H ATOM 618 HB3 PRO A 39 9.081 37.961 28.762 1.00 0.00 H ATOM 619 N GLY A 40 5.555 37.879 26.852 1.00 37.25 N ATOM 620 CA GLY A 40 4.487 38.370 26.010 1.00 37.51 C ATOM 621 C GLY A 40 3.423 37.331 25.769 1.00 37.37 C ATOM 622 O GLY A 40 3.490 36.210 26.280 1.00 38.11 O ATOM 623 HA3 GLY A 40 4.907 38.670 25.050 1.00 0.00 H ATOM 624 HA2 GLY A 40 4.030 39.234 26.492 1.00 0.00 H ATOM 625 H GLY A 40 5.414 37.795 27.879 1.00 0.00 H ATOM 626 N ARG A 41 2.414 37.727 25.012 1.00 36.12 N ATOM 627 CA ARG A 41 1.317 36.842 24.693 1.00 34.79 C ATOM 628 C ARG A 41 1.747 36.013 23.497 1.00 33.73 C ATOM 629 O ARG A 41 2.667 36.395 22.766 1.00 33.73 O ATOM 630 CB ARG A 41 0.067 37.664 24.355 1.00 34.58 C ATOM 631 HA ARG A 41 1.073 36.197 25.537 1.00 0.00 H ATOM 632 HB2 ARG A 41 -0.204 38.280 25.212 1.00 0.00 H ATOM 633 HB3 ARG A 41 0.275 38.304 23.498 1.00 0.00 H ATOM 634 H ARG A 41 2.410 38.697 24.638 1.00 0.00 H ATOM 635 N TRP A 42 1.116 34.859 23.327 1.00 32.74 N ATOM 636 CA TRP A 42 1.409 33.986 22.197 1.00 32.78 C ATOM 637 C TRP A 42 0.140 33.269 21.774 1.00 32.75 C ATOM 638 O TRP A 42 -0.791 33.109 22.568 1.00 34.39 O ATOM 639 CB TRP A 42 2.490 32.955 22.553 1.00 32.85 C ATOM 640 CG TRP A 42 2.140 32.071 23.702 1.00 32.97 C ATOM 641 CD1 TRP A 42 2.465 32.270 25.008 1.00 33.48 C ATOM 642 CD2 TRP A 42 1.389 30.849 23.654 1.00 32.35 C ATOM 643 NE1 TRP A 42 1.962 31.252 25.781 1.00 33.79 N ATOM 644 CE2 TRP A 42 1.297 30.366 24.975 1.00 32.91 C ATOM 645 CE3 TRP A 42 0.784 30.118 22.623 1.00 32.71 C ATOM 646 CZ2 TRP A 42 0.623 29.179 25.298 1.00 32.63 C ATOM 647 CZ3 TRP A 42 0.111 28.937 22.943 1.00 32.60 C ATOM 648 CH2 TRP A 42 0.038 28.483 24.272 1.00 32.43 C ATOM 649 HA TRP A 42 1.784 34.599 21.378 1.00 0.00 H ATOM 650 HB2 TRP A 42 2.664 32.327 21.679 1.00 0.00 H ATOM 651 HB3 TRP A 42 3.406 33.492 22.801 1.00 0.00 H ATOM 652 HE1 TRP A 42 2.069 31.167 26.812 1.00 0.00 H ATOM 653 HD1 TRP A 42 3.041 33.115 25.386 1.00 0.00 H ATOM 654 HZ2 TRP A 42 0.566 28.823 26.327 1.00 0.00 H ATOM 655 HH2 TRP A 42 -0.495 27.558 24.491 1.00 0.00 H ATOM 656 HZ3 TRP A 42 -0.365 28.359 22.151 1.00 0.00 H ATOM 657 HE3 TRP A 42 0.838 30.465 21.591 1.00 0.00 H ATOM 658 H TRP A 42 0.394 34.570 24.017 1.00 0.00 H ATOM 659 N LYS A 43 0.092 32.852 20.519 1.00 32.29 N ATOM 660 CA LYS A 43 -1.063 32.121 20.028 1.00 32.82 C ATOM 661 C LYS A 43 -0.586 30.886 19.278 1.00 30.39 C ATOM 662 O LYS A 43 0.498 30.882 18.685 1.00 28.35 O ATOM 663 CB LYS A 43 -1.983 33.000 19.166 1.00 36.84 C ATOM 664 CG LYS A 43 -1.384 33.585 17.905 1.00 39.38 C ATOM 665 CD LYS A 43 -2.357 34.581 17.288 1.00 38.96 C ATOM 666 CE LYS A 43 -1.681 35.415 16.219 1.00 51.52 C ATOM 667 NZ LYS A 43 -2.552 36.511 15.714 1.00 60.67 N ATOM 668 HA LYS A 43 -1.669 31.808 20.878 1.00 0.00 H ATOM 669 HB2 LYS A 43 -2.840 32.393 18.873 1.00 0.00 H ATOM 670 HB3 LYS A 43 -2.322 33.830 19.786 1.00 0.00 H ATOM 671 HG2 LYS A 43 -0.451 34.093 18.149 1.00 0.00 H ATOM 672 HG3 LYS A 43 -1.185 32.784 17.193 1.00 0.00 H ATOM 673 HD2 LYS A 43 -3.189 34.036 16.842 1.00 0.00 H ATOM 674 HD3 LYS A 43 -2.734 35.241 18.069 1.00 0.00 H ATOM 675 HE2 LYS A 43 -1.416 34.766 15.384 1.00 0.00 H ATOM 676 HE3 LYS A 43 -0.775 35.853 16.638 1.00 0.00 H ATOM 677 HZ1 LYS A 43 -3.417 36.104 15.304 1.00 0.00 H ATOM 678 HZ2 LYS A 43 -2.804 37.142 16.501 1.00 0.00 H ATOM 679 HZ3 LYS A 43 -2.042 37.050 14.986 1.00 0.00 H ATOM 680 H LYS A 43 0.888 33.049 19.879 1.00 0.00 H ATOM 681 N PRO A 44 -1.339 29.785 19.395 1.00 28.61 N ATOM 682 CA PRO A 44 -0.978 28.537 18.719 1.00 27.38 C ATOM 683 C PRO A 44 -0.989 28.679 17.200 1.00 25.77 C ATOM 684 O PRO A 44 -1.777 29.452 16.637 1.00 25.82 O ATOM 685 CB PRO A 44 -2.044 27.553 19.225 1.00 28.19 C ATOM 686 CG PRO A 44 -3.221 28.439 19.553 1.00 28.42 C ATOM 687 CD PRO A 44 -2.562 29.626 20.204 1.00 28.63 C ATOM 688 HA PRO A 44 0.038 28.210 18.939 1.00 0.00 H ATOM 689 HD3 PRO A 44 -3.194 30.512 20.144 1.00 0.00 H ATOM 690 HD2 PRO A 44 -2.322 29.422 21.248 1.00 0.00 H ATOM 691 HG3 PRO A 44 -3.908 27.944 20.239 1.00 0.00 H ATOM 692 HG2 PRO A 44 -3.758 28.732 18.651 1.00 0.00 H ATOM 693 HB2 PRO A 44 -2.305 26.830 18.452 1.00 0.00 H ATOM 694 HB3 PRO A 44 -1.696 27.024 20.112 1.00 0.00 H ATOM 695 N LYS A 45 -0.108 27.924 16.547 1.00 23.15 N ATOM 696 CA LYS A 45 0.026 27.933 15.095 1.00 21.71 C ATOM 697 C LYS A 45 0.526 26.559 14.664 1.00 20.53 C ATOM 698 O LYS A 45 1.127 25.838 15.455 1.00 19.11 O ATOM 699 CB LYS A 45 1.053 29.003 14.684 1.00 22.43 C ATOM 700 CG LYS A 45 1.172 29.277 13.189 1.00 13.89 C ATOM 701 CD LYS A 45 2.290 30.279 12.936 1.00 13.58 C ATOM 702 CE LYS A 45 2.464 30.588 11.456 1.00 23.53 C ATOM 703 NZ LYS A 45 1.389 31.483 10.935 1.00 29.48 N ATOM 704 HA LYS A 45 -0.930 28.158 14.623 1.00 0.00 H ATOM 705 HB2 LYS A 45 0.776 29.937 15.173 1.00 0.00 H ATOM 706 HB3 LYS A 45 2.031 28.682 15.043 1.00 0.00 H ATOM 707 HG2 LYS A 45 1.395 28.346 12.667 1.00 0.00 H ATOM 708 HG3 LYS A 45 0.231 29.684 12.819 1.00 0.00 H ATOM 709 HD2 LYS A 45 2.058 31.205 13.463 1.00 0.00 H ATOM 710 HD3 LYS A 45 3.223 29.868 13.321 1.00 0.00 H ATOM 711 HE2 LYS A 45 2.443 29.652 10.897 1.00 0.00 H ATOM 712 HE3 LYS A 45 3.428 31.075 11.310 1.00 0.00 H ATOM 713 HZ1 LYS A 45 0.465 31.023 11.063 1.00 0.00 H ATOM 714 HZ2 LYS A 45 1.405 32.382 11.457 1.00 0.00 H ATOM 715 HZ3 LYS A 45 1.551 31.665 9.924 1.00 0.00 H ATOM 716 H LYS A 45 0.514 27.299 17.098 1.00 0.00 H ATOM 717 N MET A 46 0.250 26.195 13.418 1.00 22.17 N ATOM 718 CA MET A 46 0.689 24.926 12.856 1.00 23.12 C ATOM 719 C MET A 46 1.548 25.276 11.653 1.00 22.30 C ATOM 720 O MET A 46 1.114 26.022 10.778 1.00 22.35 O ATOM 721 CB MET A 46 -0.506 24.095 12.378 1.00 24.40 C ATOM 722 CG MET A 46 -1.263 23.372 13.467 1.00 26.64 C ATOM 723 SD MET A 46 -0.322 21.978 14.120 1.00 29.26 S ATOM 724 CE MET A 46 -0.787 20.640 12.954 1.00 29.01 C ATOM 725 HA MET A 46 1.227 24.343 13.604 1.00 0.00 H ATOM 726 HB2 MET A 46 -1.201 24.764 11.871 1.00 0.00 H ATOM 727 HB3 MET A 46 -0.139 23.351 11.671 1.00 0.00 H ATOM 728 HG2 MET A 46 -2.204 23.003 13.059 1.00 0.00 H ATOM 729 HG3 MET A 46 -1.469 24.070 14.278 1.00 0.00 H ATOM 730 HE1 MET A 46 -1.866 20.486 12.991 1.00 0.00 H ATOM 731 HE2 MET A 46 -0.493 20.922 11.943 1.00 0.00 H ATOM 732 HE3 MET A 46 -0.278 19.719 13.238 1.00 0.00 H ATOM 733 H MET A 46 -0.302 26.842 12.819 1.00 0.00 H ATOM 734 N ILE A 47 2.779 24.782 11.624 1.00 20.98 N ATOM 735 CA ILE A 47 3.659 25.050 10.496 1.00 21.37 C ATOM 736 C ILE A 47 4.095 23.728 9.881 1.00 21.10 C ATOM 737 O ILE A 47 4.285 22.743 10.591 1.00 21.07 O ATOM 738 CB ILE A 47 4.898 25.884 10.909 1.00 21.45 C ATOM 739 CG1 ILE A 47 5.690 25.167 12.005 1.00 18.85 C ATOM 740 CG2 ILE A 47 4.463 27.284 11.333 1.00 20.65 C ATOM 741 CD1 ILE A 47 6.955 25.893 12.425 1.00 17.75 C ATOM 742 HA ILE A 47 3.107 25.640 9.765 1.00 0.00 H ATOM 743 HB ILE A 47 5.565 25.989 10.053 1.00 0.00 H ATOM 744 HG12 ILE A 47 5.048 25.062 12.880 1.00 0.00 H ATOM 745 HG13 ILE A 47 5.967 24.179 11.638 1.00 0.00 H ATOM 746 HD11 ILE A 47 7.616 25.997 11.564 1.00 0.00 H ATOM 747 HD12 ILE A 47 6.696 26.880 12.807 1.00 0.00 H ATOM 748 HD13 ILE A 47 7.459 25.321 13.204 1.00 0.00 H ATOM 749 HG21 ILE A 47 3.960 27.775 10.500 1.00 0.00 H ATOM 750 HG22 ILE A 47 3.780 27.210 12.179 1.00 0.00 H ATOM 751 HG23 ILE A 47 5.340 27.864 11.622 1.00 0.00 H ATOM 752 H ILE A 47 3.118 24.198 12.415 1.00 0.00 H ATOM 753 N GLY A 48 4.222 23.695 8.562 1.00 20.26 N ATOM 754 CA GLY A 48 4.615 22.461 7.924 1.00 21.66 C ATOM 755 C GLY A 48 5.757 22.575 6.947 1.00 24.02 C ATOM 756 O GLY A 48 6.116 23.671 6.504 1.00 23.19 O ATOM 757 HA3 GLY A 48 3.751 22.069 7.388 1.00 0.00 H ATOM 758 HA2 GLY A 48 4.907 21.757 8.703 1.00 0.00 H ATOM 759 H GLY A 48 4.041 24.547 7.994 1.00 0.00 H ATOM 760 N GLY A 49 6.303 21.417 6.600 1.00 25.77 N ATOM 761 CA GLY A 49 7.402 21.323 5.660 1.00 26.84 C ATOM 762 C GLY A 49 7.648 19.850 5.421 1.00 26.88 C ATOM 763 O GLY A 49 6.704 19.057 5.460 1.00 28.05 O ATOM 764 HA3 GLY A 49 8.294 21.790 6.077 1.00 0.00 H ATOM 765 HA2 GLY A 49 7.139 21.817 4.724 1.00 0.00 H ATOM 766 H GLY A 49 5.928 20.542 7.019 1.00 0.00 H ATOM 767 N ILE A 50 8.903 19.470 5.202 1.00 25.50 N ATOM 768 CA ILE A 50 9.246 18.070 4.967 1.00 25.82 C ATOM 769 C ILE A 50 8.864 17.246 6.196 1.00 25.97 C ATOM 770 O ILE A 50 9.222 17.593 7.325 1.00 26.32 O ATOM 771 CB ILE A 50 10.765 17.904 4.662 1.00 27.00 C ATOM 772 CG1 ILE A 50 11.077 18.432 3.264 1.00 25.46 C ATOM 773 CG2 ILE A 50 11.203 16.437 4.762 1.00 27.53 C ATOM 774 CD1 ILE A 50 10.487 17.611 2.178 1.00 23.53 C ATOM 775 HA ILE A 50 8.692 17.716 4.097 1.00 0.00 H ATOM 776 HB ILE A 50 11.317 18.477 5.407 1.00 0.00 H ATOM 777 HG12 ILE A 50 10.686 19.446 3.182 1.00 0.00 H ATOM 778 HG13 ILE A 50 12.159 18.450 3.135 1.00 0.00 H ATOM 779 HD11 ILE A 50 10.877 16.595 2.239 1.00 0.00 H ATOM 780 HD12 ILE A 50 9.403 17.592 2.287 1.00 0.00 H ATOM 781 HD13 ILE A 50 10.749 18.045 1.213 1.00 0.00 H ATOM 782 HG21 ILE A 50 11.011 16.070 5.770 1.00 0.00 H ATOM 783 HG22 ILE A 50 10.640 15.841 4.044 1.00 0.00 H ATOM 784 HG23 ILE A 50 12.268 16.361 4.543 1.00 0.00 H ATOM 785 H ILE A 50 9.657 20.186 5.198 1.00 0.00 H ATOM 786 N GLY A 51 8.087 16.192 5.984 1.00 25.78 N ATOM 787 CA GLY A 51 7.684 15.349 7.096 1.00 26.42 C ATOM 788 C GLY A 51 6.380 15.709 7.782 1.00 26.13 C ATOM 789 O GLY A 51 5.953 15.005 8.697 1.00 27.47 O ATOM 790 HA3 GLY A 51 8.475 15.389 7.845 1.00 0.00 H ATOM 791 HA2 GLY A 51 7.591 14.329 6.722 1.00 0.00 H ATOM 792 H GLY A 51 7.766 15.969 5.020 1.00 0.00 H ATOM 793 N GLY A 52 5.756 16.807 7.379 1.00 25.58 N ATOM 794 CA GLY A 52 4.493 17.173 7.996 1.00 25.17 C ATOM 795 C GLY A 52 4.479 18.488 8.742 1.00 24.21 C ATOM 796 O GLY A 52 5.269 19.390 8.448 1.00 26.09 O ATOM 797 HA3 GLY A 52 4.225 16.386 8.701 1.00 0.00 H ATOM 798 HA2 GLY A 52 3.740 17.227 7.210 1.00 0.00 H ATOM 799 H GLY A 52 6.166 17.400 6.629 1.00 0.00 H ATOM 800 N PHE A 53 3.592 18.581 9.727 1.00 21.22 N ATOM 801 CA PHE A 53 3.429 19.794 10.520 1.00 19.41 C ATOM 802 C PHE A 53 3.811 19.619 11.973 1.00 19.95 C ATOM 803 O PHE A 53 3.906 18.501 12.453 1.00 22.70 O ATOM 804 CB PHE A 53 1.961 20.237 10.490 1.00 18.27 C ATOM 805 CG PHE A 53 1.510 20.797 9.170 1.00 17.61 C ATOM 806 CD1 PHE A 53 1.311 19.970 8.079 1.00 16.64 C ATOM 807 CD2 PHE A 53 1.254 22.157 9.034 1.00 17.60 C ATOM 808 CE1 PHE A 53 0.862 20.484 6.876 1.00 18.33 C ATOM 809 CE2 PHE A 53 0.806 22.685 7.834 1.00 18.30 C ATOM 810 CZ PHE A 53 0.608 21.848 6.751 1.00 19.27 C ATOM 811 HA PHE A 53 4.094 20.533 10.074 1.00 0.00 H ATOM 812 HB2 PHE A 53 1.339 19.373 10.725 1.00 0.00 H ATOM 813 HB3 PHE A 53 1.820 21.003 11.252 1.00 0.00 H ATOM 814 HD2 PHE A 53 1.408 22.819 9.886 1.00 0.00 H ATOM 815 HE2 PHE A 53 0.611 23.754 7.744 1.00 0.00 H ATOM 816 HZ PHE A 53 0.255 22.254 5.803 1.00 0.00 H ATOM 817 HE1 PHE A 53 0.707 19.821 6.025 1.00 0.00 H ATOM 818 HD1 PHE A 53 1.510 18.902 8.168 1.00 0.00 H ATOM 819 H PHE A 53 2.992 17.759 9.940 1.00 0.00 H ATOM 820 N ILE A 54 4.021 20.736 12.660 1.00 20.39 N ATOM 821 CA ILE A 54 4.312 20.757 14.099 1.00 21.20 C ATOM 822 C ILE A 54 3.570 21.975 14.666 1.00 21.63 C ATOM 823 O ILE A 54 3.347 22.965 13.960 1.00 22.27 O ATOM 824 CB ILE A 54 5.838 20.853 14.452 1.00 21.28 C ATOM 825 CG1 ILE A 54 6.439 22.168 13.947 1.00 22.72 C ATOM 826 CG2 ILE A 54 6.600 19.642 13.902 1.00 20.97 C ATOM 827 CD1 ILE A 54 7.821 22.465 14.506 1.00 19.12 C ATOM 828 HA ILE A 54 3.985 19.812 14.533 1.00 0.00 H ATOM 829 HB ILE A 54 5.937 20.844 15.538 1.00 0.00 H ATOM 830 HG12 ILE A 54 6.511 22.119 12.860 1.00 0.00 H ATOM 831 HG13 ILE A 54 5.771 22.982 14.229 1.00 0.00 H ATOM 832 HD11 ILE A 54 7.766 22.530 15.593 1.00 0.00 H ATOM 833 HD12 ILE A 54 8.506 21.666 14.223 1.00 0.00 H ATOM 834 HD13 ILE A 54 8.179 23.412 14.102 1.00 0.00 H ATOM 835 HG21 ILE A 54 6.194 18.730 14.339 1.00 0.00 H ATOM 836 HG22 ILE A 54 6.491 19.607 12.818 1.00 0.00 H ATOM 837 HG23 ILE A 54 7.655 19.731 14.159 1.00 0.00 H ATOM 838 H ILE A 54 3.977 21.643 12.152 1.00 0.00 H ATOM 839 N LYS A 55 3.137 21.877 15.917 1.00 21.81 N ATOM 840 CA LYS A 55 2.422 22.959 16.566 1.00 21.72 C ATOM 841 C LYS A 55 3.452 23.821 17.277 1.00 20.79 C ATOM 842 O LYS A 55 4.342 23.306 17.961 1.00 19.96 O ATOM 843 CB LYS A 55 1.416 22.402 17.571 1.00 25.34 C ATOM 844 CG LYS A 55 0.496 23.453 18.172 1.00 26.41 C ATOM 845 CD LYS A 55 -0.323 22.877 19.312 1.00 34.98 C ATOM 846 CE LYS A 55 -1.151 23.954 19.975 1.00 43.48 C ATOM 847 NZ LYS A 55 -1.817 23.451 21.199 1.00 49.62 N ATOM 848 HA LYS A 55 1.869 23.546 15.833 1.00 0.00 H ATOM 849 HB2 LYS A 55 0.802 21.657 17.065 1.00 0.00 H ATOM 850 HB3 LYS A 55 1.968 21.926 18.381 1.00 0.00 H ATOM 851 HG2 LYS A 55 1.098 24.280 18.549 1.00 0.00 H ATOM 852 HG3 LYS A 55 -0.179 23.820 17.399 1.00 0.00 H ATOM 853 HD2 LYS A 55 -0.986 22.105 18.922 1.00 0.00 H ATOM 854 HD3 LYS A 55 0.349 22.438 20.049 1.00 0.00 H ATOM 855 HE2 LYS A 55 -1.911 24.299 19.274 1.00 0.00 H ATOM 856 HE3 LYS A 55 -0.501 24.787 20.242 1.00 0.00 H ATOM 857 HZ1 LYS A 55 -2.444 22.659 20.951 1.00 0.00 H ATOM 858 HZ2 LYS A 55 -1.097 23.126 21.875 1.00 0.00 H ATOM 859 HZ3 LYS A 55 -2.376 24.216 21.627 1.00 0.00 H ATOM 860 H LYS A 55 3.315 21.000 16.446 1.00 0.00 H ATOM 861 N VAL A 56 3.323 25.132 17.119 1.00 21.08 N ATOM 862 CA VAL A 56 4.255 26.071 17.726 1.00 20.32 C ATOM 863 C VAL A 56 3.538 27.242 18.401 1.00 20.56 C ATOM 864 O VAL A 56 2.336 27.440 18.222 1.00 20.76 O ATOM 865 CB VAL A 56 5.226 26.629 16.656 1.00 19.63 C ATOM 866 CG1 VAL A 56 6.050 25.492 16.040 1.00 19.40 C ATOM 867 CG2 VAL A 56 4.445 27.372 15.569 1.00 18.66 C ATOM 868 HA VAL A 56 4.806 25.521 18.489 1.00 0.00 H ATOM 869 HB VAL A 56 5.909 27.331 17.135 1.00 0.00 H ATOM 870 HG11 VAL A 56 6.627 24.998 16.822 1.00 0.00 H ATOM 871 HG12 VAL A 56 5.379 24.772 15.572 1.00 0.00 H ATOM 872 HG13 VAL A 56 6.727 25.901 15.290 1.00 0.00 H ATOM 873 HG21 VAL A 56 3.745 26.686 15.093 1.00 0.00 H ATOM 874 HG22 VAL A 56 3.896 28.199 16.019 1.00 0.00 H ATOM 875 HG23 VAL A 56 5.140 27.759 14.824 1.00 0.00 H ATOM 876 H VAL A 56 2.536 25.498 16.547 1.00 0.00 H ATOM 877 N ARG A 57 4.279 27.977 19.222 1.00 21.34 N ATOM 878 CA ARG A 57 3.758 29.152 19.907 1.00 21.79 C ATOM 879 C ARG A 57 4.301 30.369 19.151 1.00 21.87 C ATOM 880 O ARG A 57 5.515 30.504 18.943 1.00 20.83 O ATOM 881 CB ARG A 57 4.201 29.180 21.373 1.00 21.62 C ATOM 882 CG ARG A 57 3.760 27.966 22.174 1.00 25.18 C ATOM 883 CD ARG A 57 3.897 28.188 23.679 1.00 32.55 C ATOM 884 NE ARG A 57 5.213 28.701 24.063 1.00 51.56 N ATOM 885 CZ ARG A 57 6.295 27.949 24.270 1.00 60.05 C ATOM 886 NH1 ARG A 57 6.241 26.628 24.131 1.00 61.28 N ATOM 887 NH2 ARG A 57 7.439 28.521 24.626 1.00 52.26 N ATOM 888 HA ARG A 57 2.668 29.146 19.914 1.00 0.00 H ATOM 889 HB2 ARG A 57 5.289 29.233 21.402 1.00 0.00 H ATOM 890 HB3 ARG A 57 3.782 30.071 21.841 1.00 0.00 H ATOM 891 HG2 ARG A 57 2.716 27.753 21.944 1.00 0.00 H ATOM 892 HG3 ARG A 57 4.375 27.113 21.887 1.00 0.00 H ATOM 893 HD2 ARG A 57 3.732 27.238 24.187 1.00 0.00 H ATOM 894 HD3 ARG A 57 3.139 28.904 23.995 1.00 0.00 H ATOM 895 HE ARG A 57 5.312 29.729 24.184 1.00 0.00 H ATOM 896 HH12 ARG A 57 7.092 26.053 24.295 1.00 0.00 H ATOM 897 HH11 ARG A 57 5.348 26.170 23.858 1.00 0.00 H ATOM 898 HH22 ARG A 57 8.284 27.937 24.788 1.00 0.00 H ATOM 899 HH21 ARG A 57 7.490 29.553 24.743 1.00 0.00 H ATOM 900 H ARG A 57 5.269 27.703 19.382 1.00 0.00 H ATOM 901 N GLN A 58 3.387 31.195 18.658 1.00 21.90 N ATOM 902 CA GLN A 58 3.742 32.387 17.904 1.00 21.77 C ATOM 903 C GLN A 58 3.858 33.616 18.787 1.00 22.23 C ATOM 904 O GLN A 58 2.876 34.041 19.407 1.00 22.31 O ATOM 905 CB GLN A 58 2.703 32.658 16.814 1.00 19.96 C ATOM 906 CG GLN A 58 2.882 34.006 16.140 1.00 28.64 C ATOM 907 CD GLN A 58 1.789 34.338 15.133 1.00 28.51 C ATOM 908 OE1 GLN A 58 0.975 33.492 14.776 1.00 29.90 O ATOM 909 NE2 GLN A 58 1.790 35.575 14.654 1.00 24.34 N ATOM 910 HA GLN A 58 4.717 32.194 17.457 1.00 0.00 H ATOM 911 HB2 GLN A 58 2.783 31.878 16.057 1.00 0.00 H ATOM 912 HB3 GLN A 58 1.711 32.624 17.264 1.00 0.00 H ATOM 913 HG2 GLN A 58 2.887 34.778 16.910 1.00 0.00 H ATOM 914 HG3 GLN A 58 3.840 34.007 15.621 1.00 0.00 H ATOM 915 HE22 GLN A 58 2.499 36.260 14.985 1.00 0.00 H ATOM 916 HE21 GLN A 58 1.082 35.860 13.948 1.00 0.00 H ATOM 917 H GLN A 58 2.381 30.983 18.816 1.00 0.00 H ATOM 918 N TYR A 59 5.058 34.183 18.844 1.00 23.16 N ATOM 919 CA TYR A 59 5.302 35.398 19.615 1.00 24.01 C ATOM 920 C TYR A 59 5.570 36.493 18.596 1.00 23.35 C ATOM 921 O TYR A 59 6.285 36.273 17.618 1.00 22.07 O ATOM 922 CB TYR A 59 6.526 35.248 20.513 1.00 24.66 C ATOM 923 CG TYR A 59 6.363 34.262 21.640 1.00 25.69 C ATOM 924 CD1 TYR A 59 6.690 32.909 21.468 1.00 25.93 C ATOM 925 CD2 TYR A 59 5.928 34.681 22.895 1.00 25.48 C ATOM 926 CE1 TYR A 59 6.593 32.003 22.524 1.00 23.99 C ATOM 927 CE2 TYR A 59 5.825 33.782 23.953 1.00 27.90 C ATOM 928 CZ TYR A 59 6.162 32.446 23.763 1.00 27.61 C ATOM 929 OH TYR A 59 6.074 31.571 24.823 1.00 28.75 O ATOM 930 HA TYR A 59 4.449 35.619 20.256 1.00 0.00 H ATOM 931 HB3 TYR A 59 6.752 36.223 20.945 1.00 0.00 H ATOM 932 HB2 TYR A 59 7.363 34.923 19.895 1.00 0.00 H ATOM 933 HD2 TYR A 59 5.665 35.727 23.051 1.00 0.00 H ATOM 934 HE2 TYR A 59 5.481 34.125 24.929 1.00 0.00 H ATOM 935 HE1 TYR A 59 6.854 30.955 22.375 1.00 0.00 H ATOM 936 HD1 TYR A 59 7.026 32.559 20.492 1.00 0.00 H ATOM 937 HH TYR A 59 6.346 30.667 24.526 1.00 0.00 H ATOM 938 H TYR A 59 5.847 33.748 18.324 1.00 0.00 H ATOM 939 N ASP A 60 4.964 37.658 18.782 1.00 24.74 N ATOM 940 CA ASP A 60 5.197 38.742 17.839 1.00 24.14 C ATOM 941 C ASP A 60 6.133 39.787 18.416 1.00 22.75 C ATOM 942 O ASP A 60 6.369 39.833 19.627 1.00 21.11 O ATOM 943 CB ASP A 60 3.886 39.397 17.423 1.00 24.58 C ATOM 944 CG ASP A 60 2.920 38.418 16.792 1.00 32.04 C ATOM 945 OD1 ASP A 60 3.346 37.610 15.941 1.00 29.67 O ATOM 946 OD2 ASP A 60 1.724 38.466 17.146 1.00 39.18 O ATOM 947 HA ASP A 60 5.668 38.306 16.958 1.00 0.00 H ATOM 948 HB2 ASP A 60 3.417 39.831 18.306 1.00 0.00 H ATOM 949 HB3 ASP A 60 4.103 40.187 16.703 1.00 0.00 H ATOM 950 H ASP A 60 4.329 37.796 19.594 1.00 0.00 H ATOM 951 N GLN A 61 6.697 40.590 17.521 1.00 24.16 N ATOM 952 CA GLN A 61 7.603 41.670 17.884 1.00 25.69 C ATOM 953 C GLN A 61 8.691 41.265 18.882 1.00 26.16 C ATOM 954 O GLN A 61 8.839 41.851 19.963 1.00 26.13 O ATOM 955 CB GLN A 61 6.793 42.869 18.378 1.00 28.77 C ATOM 956 CG GLN A 61 5.912 43.459 17.285 1.00 39.97 C ATOM 957 CD GLN A 61 4.878 44.426 17.818 1.00 65.48 C ATOM 958 OE1 GLN A 61 4.737 44.601 19.031 1.00 68.23 O ATOM 959 NE2 GLN A 61 4.129 45.048 16.915 1.00 74.77 N ATOM 960 HA GLN A 61 8.151 41.946 16.983 1.00 0.00 H ATOM 961 HB2 GLN A 61 6.159 42.548 19.205 1.00 0.00 H ATOM 962 HB3 GLN A 61 7.482 43.638 18.727 1.00 0.00 H ATOM 963 HG2 GLN A 61 6.547 43.986 16.573 1.00 0.00 H ATOM 964 HG3 GLN A 61 5.397 42.644 16.776 1.00 0.00 H ATOM 965 HE22 GLN A 61 4.282 44.871 15.902 1.00 0.00 H ATOM 966 HE21 GLN A 61 3.390 45.712 17.221 1.00 0.00 H ATOM 967 H GLN A 61 6.481 40.440 16.515 1.00 0.00 H ATOM 968 N ILE A 62 9.445 40.243 18.502 1.00 25.81 N ATOM 969 CA ILE A 62 10.537 39.738 19.318 1.00 26.18 C ATOM 970 C ILE A 62 11.829 40.223 18.660 1.00 25.82 C ATOM 971 O ILE A 62 11.962 40.191 17.435 1.00 24.67 O ATOM 972 CB ILE A 62 10.509 38.178 19.392 1.00 26.48 C ATOM 973 CG1 ILE A 62 9.243 37.705 20.124 1.00 25.43 C ATOM 974 CG2 ILE A 62 11.782 37.632 20.058 1.00 25.52 C ATOM 975 CD1 ILE A 62 9.061 38.283 21.527 1.00 26.80 C ATOM 976 HA ILE A 62 10.455 40.101 20.343 1.00 0.00 H ATOM 977 HB ILE A 62 10.483 37.783 18.377 1.00 0.00 H ATOM 978 HG12 ILE A 62 8.378 37.989 19.525 1.00 0.00 H ATOM 979 HG13 ILE A 62 9.285 36.619 20.207 1.00 0.00 H ATOM 980 HD11 ILE A 62 9.910 37.998 22.149 1.00 0.00 H ATOM 981 HD12 ILE A 62 9.002 39.370 21.466 1.00 0.00 H ATOM 982 HD13 ILE A 62 8.142 37.892 21.963 1.00 0.00 H ATOM 983 HG21 ILE A 62 12.653 37.938 19.479 1.00 0.00 H ATOM 984 HG22 ILE A 62 11.859 38.028 21.071 1.00 0.00 H ATOM 985 HG23 ILE A 62 11.733 36.544 20.095 1.00 0.00 H ATOM 986 H ILE A 62 9.248 39.787 17.588 1.00 0.00 H ATOM 987 N ILE A 63 12.744 40.746 19.465 1.00 27.12 N ATOM 988 CA ILE A 63 14.011 41.235 18.940 1.00 28.90 C ATOM 989 C ILE A 63 15.013 40.090 18.910 1.00 29.23 C ATOM 990 O ILE A 63 15.062 39.275 19.834 1.00 29.46 O ATOM 991 CB ILE A 63 14.605 42.373 19.810 1.00 29.72 C ATOM 992 CG1 ILE A 63 13.644 43.558 19.878 1.00 32.36 C ATOM 993 CG2 ILE A 63 15.932 42.835 19.225 1.00 30.22 C ATOM 994 CD1 ILE A 63 14.118 44.657 20.795 1.00 36.33 C ATOM 995 HA ILE A 63 13.821 41.628 17.941 1.00 0.00 H ATOM 996 HB ILE A 63 14.762 41.987 20.817 1.00 0.00 H ATOM 997 HG12 ILE A 63 13.529 43.969 18.875 1.00 0.00 H ATOM 998 HG13 ILE A 63 12.678 43.201 20.236 1.00 0.00 H ATOM 999 HD11 ILE A 63 14.227 44.263 21.806 1.00 0.00 H ATOM 1000 HD12 ILE A 63 15.079 45.032 20.444 1.00 0.00 H ATOM 1001 HD13 ILE A 63 13.389 45.467 20.796 1.00 0.00 H ATOM 1002 HG21 ILE A 63 16.629 41.997 19.203 1.00 0.00 H ATOM 1003 HG22 ILE A 63 15.772 43.203 18.211 1.00 0.00 H ATOM 1004 HG23 ILE A 63 16.341 43.634 19.843 1.00 0.00 H ATOM 1005 H ILE A 63 12.554 40.808 20.486 1.00 0.00 H ATOM 1006 N ILE A 64 15.783 40.019 17.834 1.00 28.97 N ATOM 1007 CA ILE A 64 16.810 39.002 17.676 1.00 30.88 C ATOM 1008 C ILE A 64 18.022 39.667 17.033 1.00 31.86 C ATOM 1009 O ILE A 64 17.873 40.589 16.228 1.00 32.02 O ATOM 1010 CB ILE A 64 16.353 37.829 16.751 1.00 31.27 C ATOM 1011 CG1 ILE A 64 15.213 37.042 17.394 1.00 36.49 C ATOM 1012 CG2 ILE A 64 17.513 36.860 16.494 1.00 31.46 C ATOM 1013 CD1 ILE A 64 14.898 35.741 16.679 1.00 39.49 C ATOM 1014 HA ILE A 64 17.031 38.584 18.658 1.00 0.00 H ATOM 1015 HB ILE A 64 16.017 38.269 15.812 1.00 0.00 H ATOM 1016 HG12 ILE A 64 15.489 36.813 18.423 1.00 0.00 H ATOM 1017 HG13 ILE A 64 14.318 37.664 17.389 1.00 0.00 H ATOM 1018 HD11 ILE A 64 14.609 35.954 15.650 1.00 0.00 H ATOM 1019 HD12 ILE A 64 15.781 35.102 16.685 1.00 0.00 H ATOM 1020 HD13 ILE A 64 14.079 35.236 17.191 1.00 0.00 H ATOM 1021 HG21 ILE A 64 18.330 37.394 16.010 1.00 0.00 H ATOM 1022 HG22 ILE A 64 17.858 36.448 17.443 1.00 0.00 H ATOM 1023 HG23 ILE A 64 17.173 36.051 15.848 1.00 0.00 H ATOM 1024 H ILE A 64 15.648 40.716 17.074 1.00 0.00 H ATOM 1025 N GLU A 65 19.216 39.259 17.449 1.00 32.63 N ATOM 1026 CA GLU A 65 20.433 39.789 16.855 1.00 33.23 C ATOM 1027 C GLU A 65 21.013 38.643 16.039 1.00 33.38 C ATOM 1028 O GLU A 65 21.182 37.540 16.558 1.00 31.87 O ATOM 1029 CB GLU A 65 21.438 40.257 17.912 1.00 34.19 C ATOM 1030 CG GLU A 65 22.650 40.949 17.279 1.00 47.02 C ATOM 1031 CD GLU A 65 23.658 41.485 18.281 1.00 66.80 C ATOM 1032 OE1 GLU A 65 23.916 40.816 19.307 1.00 69.25 O ATOM 1033 OE2 GLU A 65 24.211 42.576 18.022 1.00 78.08 O ATOM 1034 HA GLU A 65 20.216 40.667 16.247 1.00 0.00 H ATOM 1035 HB2 GLU A 65 20.943 40.958 18.584 1.00 0.00 H ATOM 1036 HB3 GLU A 65 21.782 39.392 18.480 1.00 0.00 H ATOM 1037 HG2 GLU A 65 23.157 40.229 16.636 1.00 0.00 H ATOM 1038 HG3 GLU A 65 22.291 41.783 16.676 1.00 0.00 H ATOM 1039 H GLU A 65 19.281 38.552 18.209 1.00 0.00 H ATOM 1040 N ILE A 66 21.268 38.899 14.759 1.00 35.41 N ATOM 1041 CA ILE A 66 21.807 37.903 13.834 1.00 36.74 C ATOM 1042 C ILE A 66 23.065 38.502 13.205 1.00 39.60 C ATOM 1043 O ILE A 66 22.977 39.414 12.380 1.00 38.70 O ATOM 1044 CB ILE A 66 20.776 37.592 12.705 1.00 35.39 C ATOM 1045 CG1 ILE A 66 19.440 37.153 13.312 1.00 33.66 C ATOM 1046 CG2 ILE A 66 21.299 36.509 11.782 1.00 34.89 C ATOM 1047 CD1 ILE A 66 18.231 37.498 12.463 1.00 26.92 C ATOM 1048 HA ILE A 66 22.026 36.977 14.366 1.00 0.00 H ATOM 1049 HB ILE A 66 20.624 38.502 12.125 1.00 0.00 H ATOM 1050 HG12 ILE A 66 19.465 36.072 13.450 1.00 0.00 H ATOM 1051 HG13 ILE A 66 19.328 37.639 14.281 1.00 0.00 H ATOM 1052 HD11 ILE A 66 18.182 38.578 12.325 1.00 0.00 H ATOM 1053 HD12 ILE A 66 18.319 37.010 11.492 1.00 0.00 H ATOM 1054 HD13 ILE A 66 17.326 37.153 12.964 1.00 0.00 H ATOM 1055 HG21 ILE A 66 22.231 36.841 11.326 1.00 0.00 H ATOM 1056 HG22 ILE A 66 21.478 35.600 12.356 1.00 0.00 H ATOM 1057 HG23 ILE A 66 20.563 36.310 11.003 1.00 0.00 H ATOM 1058 H ILE A 66 21.074 39.855 14.398 1.00 0.00 H ATOM 1059 N CYS A 67 24.230 38.024 13.636 1.00 44.52 N ATOM 1060 CA CYS A 67 25.511 38.511 13.125 1.00 47.43 C ATOM 1061 C CYS A 67 25.755 40.003 13.342 1.00 48.72 C ATOM 1062 O CYS A 67 26.283 40.682 12.456 1.00 50.65 O ATOM 1063 CB CYS A 67 25.656 38.187 11.642 1.00 48.46 C ATOM 1064 SG CYS A 67 25.956 36.469 11.330 1.00 49.07 S ATOM 1065 HA CYS A 67 26.266 37.986 13.710 1.00 0.00 H ATOM 1066 HB2 CYS A 67 26.490 38.763 11.241 1.00 0.00 H ATOM 1067 HB3 CYS A 67 24.737 38.477 11.132 1.00 0.00 H ATOM 1068 HG CYS A 67 26.074 36.264 9.970 1.00 0.00 H ATOM 1069 H CYS A 67 24.229 37.278 14.361 1.00 0.00 H ATOM 1070 N GLY A 68 25.371 40.517 14.507 1.00 48.14 N ATOM 1071 CA GLY A 68 25.581 41.926 14.796 1.00 47.71 C ATOM 1072 C GLY A 68 24.560 42.837 14.137 1.00 47.48 C ATOM 1073 O GLY A 68 24.716 44.064 14.127 1.00 49.36 O ATOM 1074 HA3 GLY A 68 26.573 42.207 14.443 1.00 0.00 H ATOM 1075 HA2 GLY A 68 25.526 42.069 15.875 1.00 0.00 H ATOM 1076 H GLY A 68 24.917 39.906 15.216 1.00 0.00 H ATOM 1077 N HIS A 69 23.532 42.231 13.550 1.00 44.32 N ATOM 1078 CA HIS A 69 22.459 42.967 12.898 1.00 41.39 C ATOM 1079 C HIS A 69 21.197 42.727 13.716 1.00 38.64 C ATOM 1080 O HIS A 69 20.742 41.590 13.859 1.00 36.59 O ATOM 1081 CB HIS A 69 22.247 42.472 11.467 1.00 41.73 C ATOM 1082 CG HIS A 69 23.350 42.837 10.521 1.00 42.74 C ATOM 1083 ND1 HIS A 69 24.643 42.381 10.668 1.00 43.33 N ATOM 1084 CD2 HIS A 69 23.344 43.590 9.395 1.00 43.34 C ATOM 1085 CE1 HIS A 69 25.386 42.834 9.673 1.00 43.53 C ATOM 1086 NE2 HIS A 69 24.621 43.570 8.886 1.00 43.51 N ATOM 1087 HA HIS A 69 22.706 44.027 12.845 1.00 0.00 H ATOM 1088 HB2 HIS A 69 22.161 41.386 11.490 1.00 0.00 H ATOM 1089 HB3 HIS A 69 21.318 42.900 11.091 1.00 0.00 H ATOM 1090 HD2 HIS A 69 22.487 44.114 8.972 1.00 0.00 H ATOM 1091 HE1 HIS A 69 26.448 42.635 9.527 1.00 0.00 H ATOM 1092 H HIS A 69 23.493 41.192 13.557 1.00 0.00 H ATOM 1093 N LYS A 70 20.694 43.787 14.331 1.00 37.04 N ATOM 1094 CA LYS A 70 19.485 43.712 15.137 1.00 35.86 C ATOM 1095 C LYS A 70 18.249 43.740 14.210 1.00 34.91 C ATOM 1096 O LYS A 70 18.252 44.409 13.164 1.00 35.23 O ATOM 1097 CB LYS A 70 19.488 44.870 16.154 1.00 34.43 C ATOM 1098 CG LYS A 70 18.195 45.107 16.918 1.00 49.36 C ATOM 1099 CD LYS A 70 17.250 46.026 16.133 1.00 64.25 C ATOM 1100 CE LYS A 70 15.865 46.096 16.757 1.00 60.14 C ATOM 1101 NZ LYS A 70 14.920 46.832 15.876 1.00 48.69 N ATOM 1102 HA LYS A 70 19.447 42.779 15.699 1.00 0.00 H ATOM 1103 HB2 LYS A 70 20.272 44.668 16.884 1.00 0.00 H ATOM 1104 HB3 LYS A 70 19.725 45.786 15.613 1.00 0.00 H ATOM 1105 HG2 LYS A 70 17.701 44.150 17.088 1.00 0.00 H ATOM 1106 HG3 LYS A 70 18.428 45.570 17.877 1.00 0.00 H ATOM 1107 HD2 LYS A 70 17.675 47.029 16.109 1.00 0.00 H ATOM 1108 HD3 LYS A 70 17.158 45.648 15.115 1.00 0.00 H ATOM 1109 HE2 LYS A 70 15.931 46.609 17.716 1.00 0.00 H ATOM 1110 HE3 LYS A 70 15.492 45.084 16.913 1.00 0.00 H ATOM 1111 HZ1 LYS A 70 15.269 47.800 15.728 1.00 0.00 H ATOM 1112 HZ2 LYS A 70 14.850 46.344 14.960 1.00 0.00 H ATOM 1113 HZ3 LYS A 70 13.983 46.865 16.326 1.00 0.00 H ATOM 1114 H LYS A 70 21.179 44.702 14.235 1.00 0.00 H ATOM 1115 N ALA A 71 17.236 42.949 14.554 1.00 31.94 N ATOM 1116 CA ALA A 71 15.997 42.891 13.786 1.00 29.41 C ATOM 1117 C ALA A 71 14.854 42.572 14.737 1.00 28.23 C ATOM 1118 O ALA A 71 15.086 42.193 15.892 1.00 28.40 O ATOM 1119 CB ALA A 71 16.087 41.836 12.690 1.00 28.96 C ATOM 1120 HA ALA A 71 15.822 43.853 13.304 1.00 0.00 H ATOM 1121 HB1 ALA A 71 16.907 42.083 12.016 1.00 0.00 H ATOM 1122 HB2 ALA A 71 16.267 40.860 13.141 1.00 0.00 H ATOM 1123 HB3 ALA A 71 15.151 41.813 12.132 1.00 0.00 H ATOM 1124 H ALA A 71 17.331 42.351 15.400 1.00 0.00 H ATOM 1125 N ILE A 72 13.628 42.788 14.275 1.00 25.47 N ATOM 1126 CA ILE A 72 12.445 42.510 15.079 1.00 23.60 C ATOM 1127 C ILE A 72 11.361 41.875 14.195 1.00 21.77 C ATOM 1128 O ILE A 72 11.205 42.230 13.019 1.00 18.89 O ATOM 1129 CB ILE A 72 11.914 43.795 15.792 1.00 23.03 C ATOM 1130 CG1 ILE A 72 10.843 43.425 16.824 1.00 22.13 C ATOM 1131 CG2 ILE A 72 11.357 44.794 14.776 1.00 23.39 C ATOM 1132 CD1 ILE A 72 10.350 44.588 17.657 1.00 25.27 C ATOM 1133 HA ILE A 72 12.719 41.807 15.866 1.00 0.00 H ATOM 1134 HB ILE A 72 12.749 44.269 16.308 1.00 0.00 H ATOM 1135 HG12 ILE A 72 9.991 42.999 16.294 1.00 0.00 H ATOM 1136 HG13 ILE A 72 11.262 42.676 17.497 1.00 0.00 H ATOM 1137 HD11 ILE A 72 11.186 45.020 18.206 1.00 0.00 H ATOM 1138 HD12 ILE A 72 9.915 45.343 17.003 1.00 0.00 H ATOM 1139 HD13 ILE A 72 9.595 44.236 18.360 1.00 0.00 H ATOM 1140 HG21 ILE A 72 12.145 45.080 14.080 1.00 0.00 H ATOM 1141 HG22 ILE A 72 10.536 44.333 14.227 1.00 0.00 H ATOM 1142 HG23 ILE A 72 10.994 45.679 15.299 1.00 0.00 H ATOM 1143 H ILE A 72 13.509 43.166 13.313 1.00 0.00 H ATOM 1144 N GLY A 73 10.670 40.880 14.747 1.00 20.93 N ATOM 1145 CA GLY A 73 9.626 40.205 14.002 1.00 20.59 C ATOM 1146 C GLY A 73 8.981 39.105 14.814 1.00 19.80 C ATOM 1147 O GLY A 73 9.218 38.981 16.016 1.00 19.33 O ATOM 1148 HA3 GLY A 73 10.059 39.771 13.100 1.00 0.00 H ATOM 1149 HA2 GLY A 73 8.863 40.932 13.724 1.00 0.00 H ATOM 1150 H GLY A 73 10.881 40.584 15.721 1.00 0.00 H ATOM 1151 N THR A 74 8.139 38.325 14.153 1.00 20.16 N ATOM 1152 CA THR A 74 7.447 37.209 14.780 1.00 20.67 C ATOM 1153 C THR A 74 8.416 36.031 14.913 1.00 18.53 C ATOM 1154 O THR A 74 9.151 35.715 13.972 1.00 18.30 O ATOM 1155 CB THR A 74 6.271 36.766 13.897 1.00 23.51 C ATOM 1156 OG1 THR A 74 5.361 37.860 13.718 1.00 27.58 O ATOM 1157 CG2 THR A 74 5.545 35.590 14.518 1.00 21.77 C ATOM 1158 HA THR A 74 7.082 37.519 15.759 1.00 0.00 H ATOM 1159 HB THR A 74 6.663 36.456 12.928 1.00 0.00 H ATOM 1160 HG1 THR A 74 5.018 38.150 14.600 1.00 0.00 H ATOM 1161 HG23 THR A 74 6.243 34.763 14.651 1.00 0.00 H ATOM 1162 HG21 THR A 74 5.140 35.885 15.486 1.00 0.00 H ATOM 1163 HG22 THR A 74 4.732 35.279 13.862 1.00 0.00 H ATOM 1164 H THR A 74 7.966 38.518 13.146 1.00 0.00 H ATOM 1165 N VAL A 75 8.437 35.400 16.082 1.00 17.96 N ATOM 1166 CA VAL A 75 9.295 34.249 16.317 1.00 18.31 C ATOM 1167 C VAL A 75 8.415 33.107 16.818 1.00 18.09 C ATOM 1168 O VAL A 75 7.605 33.293 17.726 1.00 17.22 O ATOM 1169 CB VAL A 75 10.411 34.565 17.348 1.00 19.03 C ATOM 1170 CG1 VAL A 75 11.157 33.292 17.731 1.00 19.90 C ATOM 1171 CG2 VAL A 75 11.397 35.562 16.755 1.00 18.39 C ATOM 1172 HA VAL A 75 9.795 33.973 15.388 1.00 0.00 H ATOM 1173 HB VAL A 75 9.948 34.991 18.238 1.00 0.00 H ATOM 1174 HG11 VAL A 75 10.458 32.581 18.171 1.00 0.00 H ATOM 1175 HG12 VAL A 75 11.609 32.855 16.840 1.00 0.00 H ATOM 1176 HG13 VAL A 75 11.936 33.533 18.455 1.00 0.00 H ATOM 1177 HG21 VAL A 75 11.846 35.137 15.857 1.00 0.00 H ATOM 1178 HG22 VAL A 75 10.872 36.482 16.499 1.00 0.00 H ATOM 1179 HG23 VAL A 75 12.177 35.778 17.485 1.00 0.00 H ATOM 1180 H VAL A 75 7.823 35.738 16.850 1.00 0.00 H ATOM 1181 N LEU A 76 8.525 31.953 16.167 1.00 18.75 N ATOM 1182 CA LEU A 76 7.748 30.772 16.531 1.00 17.89 C ATOM 1183 C LEU A 76 8.633 29.862 17.371 1.00 20.02 C ATOM 1184 O LEU A 76 9.788 29.631 17.023 1.00 20.35 O ATOM 1185 CB LEU A 76 7.295 30.029 15.272 1.00 15.84 C ATOM 1186 CG LEU A 76 6.680 30.883 14.159 1.00 13.97 C ATOM 1187 CD1 LEU A 76 6.318 29.994 12.992 1.00 13.16 C ATOM 1188 CD2 LEU A 76 5.453 31.651 14.665 1.00 12.61 C ATOM 1189 HA LEU A 76 6.863 31.069 17.094 1.00 0.00 H ATOM 1190 HB2 LEU A 76 8.165 29.519 14.857 1.00 0.00 H ATOM 1191 HB3 LEU A 76 6.552 29.290 15.572 1.00 0.00 H ATOM 1192 HG LEU A 76 7.412 31.622 13.833 1.00 0.00 H ATOM 1193 HD21 LEU A 76 4.702 30.943 15.017 1.00 0.00 H ATOM 1194 HD22 LEU A 76 5.749 32.306 15.484 1.00 0.00 H ATOM 1195 HD23 LEU A 76 5.039 32.248 13.852 1.00 0.00 H ATOM 1196 HD11 LEU A 76 7.216 29.500 12.621 1.00 0.00 H ATOM 1197 HD12 LEU A 76 5.598 29.244 13.318 1.00 0.00 H ATOM 1198 HD13 LEU A 76 5.880 30.599 12.198 1.00 0.00 H ATOM 1199 H LEU A 76 9.189 31.889 15.369 1.00 0.00 H ATOM 1200 N VAL A 77 8.102 29.392 18.498 1.00 21.26 N ATOM 1201 CA VAL A 77 8.825 28.505 19.405 1.00 21.01 C ATOM 1202 C VAL A 77 8.150 27.129 19.400 1.00 23.63 C ATOM 1203 O VAL A 77 6.931 27.030 19.593 1.00 24.61 O ATOM 1204 CB VAL A 77 8.817 29.069 20.853 1.00 19.87 C ATOM 1205 CG1 VAL A 77 9.487 28.106 21.798 1.00 19.74 C ATOM 1206 CG2 VAL A 77 9.510 30.424 20.905 1.00 19.16 C ATOM 1207 HA VAL A 77 9.858 28.425 19.067 1.00 0.00 H ATOM 1208 HB VAL A 77 7.780 29.198 21.163 1.00 0.00 H ATOM 1209 HG11 VAL A 77 8.954 27.155 21.785 1.00 0.00 H ATOM 1210 HG12 VAL A 77 10.519 27.950 21.484 1.00 0.00 H ATOM 1211 HG13 VAL A 77 9.471 28.519 22.807 1.00 0.00 H ATOM 1212 HG21 VAL A 77 10.543 30.315 20.574 1.00 0.00 H ATOM 1213 HG22 VAL A 77 8.989 31.123 20.251 1.00 0.00 H ATOM 1214 HG23 VAL A 77 9.493 30.800 21.928 1.00 0.00 H ATOM 1215 H VAL A 77 7.130 29.669 18.743 1.00 0.00 H ATOM 1216 N GLY A 78 8.928 26.073 19.170 1.00 23.98 N ATOM 1217 CA GLY A 78 8.354 24.738 19.152 1.00 25.04 C ATOM 1218 C GLY A 78 9.362 23.626 18.924 1.00 25.20 C ATOM 1219 O GLY A 78 10.563 23.886 18.884 1.00 24.24 O ATOM 1220 HA3 GLY A 78 7.613 24.696 18.354 1.00 0.00 H ATOM 1221 HA2 GLY A 78 7.865 24.564 20.110 1.00 0.00 H ATOM 1222 H GLY A 78 9.946 26.204 19.003 1.00 0.00 H ATOM 1223 N PRO A 79 8.899 22.374 18.748 1.00 25.07 N ATOM 1224 CA PRO A 79 9.739 21.190 18.523 1.00 24.56 C ATOM 1225 C PRO A 79 10.463 21.112 17.180 1.00 24.99 C ATOM 1226 O PRO A 79 10.386 20.089 16.496 1.00 25.67 O ATOM 1227 CB PRO A 79 8.746 20.042 18.672 1.00 24.50 C ATOM 1228 CG PRO A 79 7.476 20.636 18.148 1.00 24.56 C ATOM 1229 CD PRO A 79 7.475 21.993 18.813 1.00 24.60 C ATOM 1230 HA PRO A 79 10.574 21.188 19.223 1.00 0.00 H ATOM 1231 HD3 PRO A 79 6.851 22.700 18.267 1.00 0.00 H ATOM 1232 HD2 PRO A 79 7.130 21.927 19.845 1.00 0.00 H ATOM 1233 HG3 PRO A 79 6.609 20.047 18.446 1.00 0.00 H ATOM 1234 HG2 PRO A 79 7.497 20.725 17.062 1.00 0.00 H ATOM 1235 HB2 PRO A 79 9.050 19.179 18.080 1.00 0.00 H ATOM 1236 HB3 PRO A 79 8.641 19.746 19.716 1.00 0.00 H ATOM 1237 N THR A 80 11.171 22.175 16.801 1.00 24.08 N ATOM 1238 CA THR A 80 11.912 22.173 15.541 1.00 22.72 C ATOM 1239 C THR A 80 13.241 21.453 15.800 1.00 24.76 C ATOM 1240 O THR A 80 13.825 21.592 16.877 1.00 24.10 O ATOM 1241 CB THR A 80 12.132 23.612 15.000 1.00 18.29 C ATOM 1242 OG1 THR A 80 12.937 23.564 13.821 1.00 21.50 O ATOM 1243 CG2 THR A 80 12.806 24.487 16.019 1.00 12.70 C ATOM 1244 HA THR A 80 11.345 21.654 14.768 1.00 0.00 H ATOM 1245 HB THR A 80 11.154 24.037 14.774 1.00 0.00 H ATOM 1246 HG1 THR A 80 13.813 23.156 14.037 1.00 0.00 H ATOM 1247 HG23 THR A 80 12.196 24.528 16.921 1.00 0.00 H ATOM 1248 HG21 THR A 80 13.786 24.074 16.259 1.00 0.00 H ATOM 1249 HG22 THR A 80 12.923 25.492 15.613 1.00 0.00 H ATOM 1250 H THR A 80 11.197 23.018 17.410 1.00 0.00 H ATOM 1251 N PRO A 81 13.713 20.646 14.831 1.00 26.99 N ATOM 1252 CA PRO A 81 14.974 19.897 14.974 1.00 27.60 C ATOM 1253 C PRO A 81 16.199 20.795 15.077 1.00 28.76 C ATOM 1254 O PRO A 81 17.198 20.418 15.687 1.00 29.45 O ATOM 1255 CB PRO A 81 15.033 19.070 13.687 1.00 27.17 C ATOM 1256 CG PRO A 81 13.612 19.040 13.199 1.00 28.05 C ATOM 1257 CD PRO A 81 13.122 20.414 13.504 1.00 26.99 C ATOM 1258 HA PRO A 81 14.987 19.309 15.891 1.00 0.00 H ATOM 1259 HD3 PRO A 81 13.484 21.138 12.774 1.00 0.00 H ATOM 1260 HD2 PRO A 81 12.033 20.450 13.540 1.00 0.00 H ATOM 1261 HG3 PRO A 81 13.030 18.289 13.733 1.00 0.00 H ATOM 1262 HG2 PRO A 81 13.569 18.837 12.129 1.00 0.00 H ATOM 1263 HB2 PRO A 81 15.684 19.544 12.952 1.00 0.00 H ATOM 1264 HB3 PRO A 81 15.393 18.062 13.892 1.00 0.00 H ATOM 1265 N VAL A 82 16.112 21.973 14.463 1.00 28.46 N ATOM 1266 CA VAL A 82 17.198 22.949 14.439 1.00 27.69 C ATOM 1267 C VAL A 82 16.622 24.377 14.433 1.00 27.14 C ATOM 1268 O VAL A 82 15.492 24.602 13.974 1.00 24.60 O ATOM 1269 CB VAL A 82 18.103 22.720 13.180 1.00 28.43 C ATOM 1270 CG1 VAL A 82 17.268 22.614 11.931 1.00 28.22 C ATOM 1271 CG2 VAL A 82 19.120 23.840 13.022 1.00 29.52 C ATOM 1272 HA VAL A 82 17.809 22.821 15.333 1.00 0.00 H ATOM 1273 HB VAL A 82 18.638 21.782 13.330 1.00 0.00 H ATOM 1274 HG11 VAL A 82 16.579 21.774 12.026 1.00 0.00 H ATOM 1275 HG12 VAL A 82 16.703 23.536 11.794 1.00 0.00 H ATOM 1276 HG13 VAL A 82 17.920 22.455 11.072 1.00 0.00 H ATOM 1277 HG21 VAL A 82 18.598 24.790 12.907 1.00 0.00 H ATOM 1278 HG22 VAL A 82 19.757 23.878 13.906 1.00 0.00 H ATOM 1279 HG23 VAL A 82 19.732 23.652 12.140 1.00 0.00 H ATOM 1280 H VAL A 82 15.225 22.210 13.975 1.00 0.00 H ATOM 1281 N ASN A 83 17.359 25.326 15.010 1.00 25.77 N ATOM 1282 CA ASN A 83 16.912 26.717 15.026 1.00 22.08 C ATOM 1283 C ASN A 83 17.031 27.242 13.592 1.00 22.69 C ATOM 1284 O ASN A 83 18.064 27.042 12.943 1.00 22.13 O ATOM 1285 CB ASN A 83 17.789 27.558 15.964 1.00 20.12 C ATOM 1286 CG ASN A 83 17.602 27.199 17.436 1.00 20.53 C ATOM 1287 OD1 ASN A 83 16.505 26.850 17.866 1.00 20.90 O ATOM 1288 ND2 ASN A 83 18.673 27.300 18.215 1.00 22.09 N ATOM 1289 HA ASN A 83 15.886 26.783 15.387 1.00 0.00 H ATOM 1290 HB2 ASN A 83 18.834 27.400 15.698 1.00 0.00 H ATOM 1291 HB3 ASN A 83 17.535 28.609 15.828 1.00 0.00 H ATOM 1292 HD22 ASN A 83 19.583 27.599 17.811 1.00 0.00 H ATOM 1293 HD21 ASN A 83 18.601 27.080 19.229 1.00 0.00 H ATOM 1294 H ASN A 83 18.264 25.073 15.455 1.00 0.00 H ATOM 1295 N ILE A 84 15.973 27.858 13.066 1.00 22.41 N ATOM 1296 CA ILE A 84 16.026 28.381 11.700 1.00 22.92 C ATOM 1297 C ILE A 84 15.605 29.848 11.618 1.00 22.67 C ATOM 1298 O ILE A 84 14.663 30.270 12.293 1.00 23.01 O ATOM 1299 CB ILE A 84 15.162 27.535 10.700 1.00 23.67 C ATOM 1300 CG1 ILE A 84 13.674 27.664 11.011 1.00 26.87 C ATOM 1301 CG2 ILE A 84 15.549 26.061 10.760 1.00 23.56 C ATOM 1302 CD1 ILE A 84 12.788 26.775 10.152 1.00 29.77 C ATOM 1303 HA ILE A 84 17.073 28.304 11.406 1.00 0.00 H ATOM 1304 HB ILE A 84 15.356 27.924 9.700 1.00 0.00 H ATOM 1305 HG12 ILE A 84 13.517 27.399 12.057 1.00 0.00 H ATOM 1306 HG13 ILE A 84 13.378 28.701 10.852 1.00 0.00 H ATOM 1307 HD11 ILE A 84 12.924 27.035 9.102 1.00 0.00 H ATOM 1308 HD12 ILE A 84 13.062 25.732 10.308 1.00 0.00 H ATOM 1309 HD13 ILE A 84 11.745 26.923 10.433 1.00 0.00 H ATOM 1310 HG21 ILE A 84 16.601 25.952 10.495 1.00 0.00 H ATOM 1311 HG22 ILE A 84 15.386 25.685 11.770 1.00 0.00 H ATOM 1312 HG23 ILE A 84 14.936 25.497 10.058 1.00 0.00 H ATOM 1313 H ILE A 84 15.105 27.968 13.629 1.00 0.00 H ATOM 1314 N ILE A 85 16.359 30.635 10.852 1.00 21.71 N ATOM 1315 CA ILE A 85 16.049 32.050 10.650 1.00 20.58 C ATOM 1316 C ILE A 85 15.383 32.116 9.281 1.00 17.46 C ATOM 1317 O ILE A 85 16.020 31.856 8.261 1.00 16.40 O ATOM 1318 CB ILE A 85 17.330 32.951 10.650 1.00 21.57 C ATOM 1319 CG1 ILE A 85 18.100 32.814 11.967 1.00 18.06 C ATOM 1320 CG2 ILE A 85 16.955 34.413 10.424 1.00 21.60 C ATOM 1321 CD1 ILE A 85 17.324 33.209 13.213 1.00 16.20 C ATOM 1322 HA ILE A 85 15.419 32.421 11.458 1.00 0.00 H ATOM 1323 HB ILE A 85 17.972 32.615 9.836 1.00 0.00 H ATOM 1324 HG12 ILE A 85 18.403 31.773 12.074 1.00 0.00 H ATOM 1325 HG13 ILE A 85 18.987 33.445 11.907 1.00 0.00 H ATOM 1326 HD11 ILE A 85 17.022 34.254 13.136 1.00 0.00 H ATOM 1327 HD12 ILE A 85 16.439 32.580 13.303 1.00 0.00 H ATOM 1328 HD13 ILE A 85 17.956 33.076 14.091 1.00 0.00 H ATOM 1329 HG21 ILE A 85 16.451 34.513 9.463 1.00 0.00 H ATOM 1330 HG22 ILE A 85 16.289 34.743 11.221 1.00 0.00 H ATOM 1331 HG23 ILE A 85 17.858 35.023 10.427 1.00 0.00 H ATOM 1332 H ILE A 85 17.194 30.230 10.383 1.00 0.00 H ATOM 1333 N GLY A 86 14.099 32.438 9.263 1.00 15.84 N ATOM 1334 CA GLY A 86 13.383 32.495 8.003 1.00 16.49 C ATOM 1335 C GLY A 86 13.398 33.845 7.327 1.00 15.08 C ATOM 1336 O GLY A 86 13.973 34.805 7.846 1.00 14.52 O ATOM 1337 HA3 GLY A 86 12.345 32.220 8.190 1.00 0.00 H ATOM 1338 HA2 GLY A 86 13.833 31.770 7.324 1.00 0.00 H ATOM 1339 H GLY A 86 13.604 32.650 10.153 1.00 0.00 H ATOM 1340 N ARG A 87 12.723 33.925 6.185 1.00 13.83 N ATOM 1341 CA ARG A 87 12.648 35.143 5.393 1.00 12.58 C ATOM 1342 C ARG A 87 12.103 36.370 6.106 1.00 17.55 C ATOM 1343 O ARG A 87 12.452 37.488 5.738 1.00 18.73 O ATOM 1344 CB ARG A 87 11.828 34.906 4.134 1.00 8.49 C ATOM 1345 CG ARG A 87 12.432 33.920 3.171 1.00 9.42 C ATOM 1346 CD ARG A 87 11.659 33.900 1.865 1.00 11.60 C ATOM 1347 NE ARG A 87 10.265 33.494 2.048 1.00 18.55 N ATOM 1348 CZ ARG A 87 9.227 34.329 2.095 1.00 23.61 C ATOM 1349 NH1 ARG A 87 9.396 35.636 1.925 1.00 19.96 N ATOM 1350 NH2 ARG A 87 8.005 33.849 2.267 1.00 17.94 N ATOM 1351 HA ARG A 87 13.689 35.372 5.164 1.00 0.00 H ATOM 1352 HB2 ARG A 87 10.847 34.535 4.431 1.00 0.00 H ATOM 1353 HB3 ARG A 87 11.713 35.859 3.618 1.00 0.00 H ATOM 1354 HG2 ARG A 87 13.465 34.203 2.971 1.00 0.00 H ATOM 1355 HG3 ARG A 87 12.409 32.925 3.616 1.00 0.00 H ATOM 1356 HD2 ARG A 87 12.141 33.200 1.183 1.00 0.00 H ATOM 1357 HD3 ARG A 87 11.679 34.900 1.431 1.00 0.00 H ATOM 1358 HE ARG A 87 10.069 32.478 2.149 1.00 0.00 H ATOM 1359 HH12 ARG A 87 8.577 36.276 1.964 1.00 0.00 H ATOM 1360 HH11 ARG A 87 10.347 36.019 1.753 1.00 0.00 H ATOM 1361 HH22 ARG A 87 7.192 34.497 2.304 1.00 0.00 H ATOM 1362 HH21 ARG A 87 7.858 32.824 2.365 1.00 0.00 H ATOM 1363 H ARG A 87 12.226 33.078 5.842 1.00 0.00 H ATOM 1364 N ASN A 88 11.272 36.182 7.130 1.00 19.03 N ATOM 1365 CA ASN A 88 10.702 37.326 7.842 1.00 19.55 C ATOM 1366 C ASN A 88 11.759 38.148 8.580 1.00 22.77 C ATOM 1367 O ASN A 88 11.540 39.327 8.858 1.00 22.90 O ATOM 1368 CB ASN A 88 9.597 36.887 8.809 1.00 13.88 C ATOM 1369 CG ASN A 88 10.128 36.130 10.011 1.00 14.38 C ATOM 1370 OD1 ASN A 88 10.864 35.157 9.873 1.00 20.25 O ATOM 1371 ND2 ASN A 88 9.736 36.564 11.200 1.00 13.55 N ATOM 1372 HA ASN A 88 10.265 37.971 7.080 1.00 0.00 H ATOM 1373 HB2 ASN A 88 9.071 37.774 9.161 1.00 0.00 H ATOM 1374 HB3 ASN A 88 8.901 36.243 8.272 1.00 0.00 H ATOM 1375 HD22 ASN A 88 9.112 37.393 11.271 1.00 0.00 H ATOM 1376 HD21 ASN A 88 10.053 36.076 12.062 1.00 0.00 H ATOM 1377 H ASN A 88 11.027 35.215 7.425 1.00 0.00 H ATOM 1378 N LEU A 89 12.889 37.521 8.917 1.00 22.79 N ATOM 1379 CA LEU A 89 13.981 38.207 9.615 1.00 21.95 C ATOM 1380 C LEU A 89 15.188 38.372 8.692 1.00 21.09 C ATOM 1381 O LEU A 89 15.950 39.333 8.816 1.00 21.88 O ATOM 1382 CB LEU A 89 14.374 37.468 10.897 1.00 21.75 C ATOM 1383 CG LEU A 89 13.392 37.617 12.063 1.00 24.64 C ATOM 1384 CD1 LEU A 89 13.873 36.843 13.279 1.00 26.30 C ATOM 1385 CD2 LEU A 89 13.243 39.083 12.414 1.00 25.04 C ATOM 1386 HA LEU A 89 13.626 39.197 9.900 1.00 0.00 H ATOM 1387 HB2 LEU A 89 14.460 36.407 10.662 1.00 0.00 H ATOM 1388 HB3 LEU A 89 15.343 37.847 11.221 1.00 0.00 H ATOM 1389 HG LEU A 89 12.427 37.211 11.759 1.00 0.00 H ATOM 1390 HD21 LEU A 89 14.214 39.487 12.702 1.00 0.00 H ATOM 1391 HD22 LEU A 89 12.865 39.626 11.548 1.00 0.00 H ATOM 1392 HD23 LEU A 89 12.544 39.187 13.244 1.00 0.00 H ATOM 1393 HD11 LEU A 89 13.959 35.786 13.025 1.00 0.00 H ATOM 1394 HD12 LEU A 89 14.846 37.224 13.589 1.00 0.00 H ATOM 1395 HD13 LEU A 89 13.158 36.966 14.092 1.00 0.00 H ATOM 1396 H LEU A 89 12.998 36.515 8.677 1.00 0.00 H ATOM 1397 N LEU A 90 15.335 37.444 7.750 1.00 18.74 N ATOM 1398 CA LEU A 90 16.422 37.474 6.784 1.00 19.35 C ATOM 1399 C LEU A 90 16.380 38.770 5.991 1.00 20.48 C ATOM 1400 O LEU A 90 17.423 39.355 5.687 1.00 21.05 O ATOM 1401 CB LEU A 90 16.300 36.289 5.828 1.00 19.32 C ATOM 1402 CG LEU A 90 17.381 35.202 5.880 1.00 19.84 C ATOM 1403 CD1 LEU A 90 17.940 34.999 7.269 1.00 17.57 C ATOM 1404 CD2 LEU A 90 16.792 33.923 5.347 1.00 19.96 C ATOM 1405 HA LEU A 90 17.369 37.412 7.320 1.00 0.00 H ATOM 1406 HB2 LEU A 90 15.345 35.805 6.032 1.00 0.00 H ATOM 1407 HB3 LEU A 90 16.293 36.690 4.815 1.00 0.00 H ATOM 1408 HG LEU A 90 18.222 35.521 5.264 1.00 0.00 H ATOM 1409 HD21 LEU A 90 15.940 33.633 5.962 1.00 0.00 H ATOM 1410 HD22 LEU A 90 16.464 34.076 4.319 1.00 0.00 H ATOM 1411 HD23 LEU A 90 17.547 33.137 5.376 1.00 0.00 H ATOM 1412 HD11 LEU A 90 18.386 35.930 7.620 1.00 0.00 H ATOM 1413 HD12 LEU A 90 17.136 34.703 7.943 1.00 0.00 H ATOM 1414 HD13 LEU A 90 18.700 34.218 7.243 1.00 0.00 H ATOM 1415 H LEU A 90 14.646 36.667 7.703 1.00 0.00 H ATOM 1416 N THR A 91 15.172 39.203 5.638 1.00 19.02 N ATOM 1417 CA THR A 91 14.992 40.442 4.883 1.00 18.89 C ATOM 1418 C THR A 91 15.446 41.649 5.704 1.00 20.30 C ATOM 1419 O THR A 91 16.106 42.542 5.188 1.00 21.76 O ATOM 1420 CB THR A 91 13.518 40.677 4.484 1.00 13.95 C ATOM 1421 OG1 THR A 91 12.696 40.631 5.651 1.00 11.85 O ATOM 1422 CG2 THR A 91 13.047 39.651 3.499 1.00 10.27 C ATOM 1423 HA THR A 91 15.597 40.335 3.982 1.00 0.00 H ATOM 1424 HB THR A 91 13.446 41.657 4.013 1.00 0.00 H ATOM 1425 HG1 THR A 91 11.752 40.782 5.394 1.00 0.00 H ATOM 1426 HG23 THR A 91 13.676 39.688 2.609 1.00 0.00 H ATOM 1427 HG21 THR A 91 13.111 38.661 3.950 1.00 0.00 H ATOM 1428 HG22 THR A 91 12.013 39.861 3.224 1.00 0.00 H ATOM 1429 H THR A 91 14.335 38.646 5.906 1.00 0.00 H ATOM 1430 N GLN A 92 15.105 41.657 6.988 1.00 19.88 N ATOM 1431 CA GLN A 92 15.452 42.754 7.880 1.00 19.68 C ATOM 1432 C GLN A 92 16.945 43.031 8.011 1.00 21.59 C ATOM 1433 O GLN A 92 17.345 44.182 8.196 1.00 20.81 O ATOM 1434 CB GLN A 92 14.837 42.521 9.263 1.00 16.59 C ATOM 1435 CG GLN A 92 13.319 42.382 9.242 1.00 17.02 C ATOM 1436 CD GLN A 92 12.634 43.595 8.639 1.00 17.98 C ATOM 1437 OE1 GLN A 92 12.272 43.607 7.459 1.00 17.08 O ATOM 1438 NE2 GLN A 92 12.458 44.623 9.448 1.00 12.75 N ATOM 1439 HA GLN A 92 15.033 43.647 7.416 1.00 0.00 H ATOM 1440 HB2 GLN A 92 15.261 41.607 9.679 1.00 0.00 H ATOM 1441 HB3 GLN A 92 15.097 43.365 9.902 1.00 0.00 H ATOM 1442 HG2 GLN A 92 13.056 41.503 8.654 1.00 0.00 H ATOM 1443 HG3 GLN A 92 12.965 42.252 10.265 1.00 0.00 H ATOM 1444 HE22 GLN A 92 12.779 44.568 10.436 1.00 0.00 H ATOM 1445 HE21 GLN A 92 11.998 45.488 9.098 1.00 0.00 H ATOM 1446 H GLN A 92 14.571 40.850 7.370 1.00 0.00 H ATOM 1447 N ILE A 93 17.770 41.987 7.936 1.00 22.72 N ATOM 1448 CA ILE A 93 19.217 42.176 8.045 1.00 21.85 C ATOM 1449 C ILE A 93 19.830 42.483 6.683 1.00 21.78 C ATOM 1450 O ILE A 93 21.031 42.711 6.583 1.00 21.62 O ATOM 1451 CB ILE A 93 19.942 40.958 8.691 1.00 21.49 C ATOM 1452 CG1 ILE A 93 19.817 39.718 7.802 1.00 21.17 C ATOM 1453 CG2 ILE A 93 19.395 40.692 10.089 1.00 20.87 C ATOM 1454 CD1 ILE A 93 20.670 38.564 8.250 1.00 22.94 C ATOM 1455 HA ILE A 93 19.363 43.028 8.709 1.00 0.00 H ATOM 1456 HB ILE A 93 21.002 41.195 8.783 1.00 0.00 H ATOM 1457 HG12 ILE A 93 18.775 39.397 7.803 1.00 0.00 H ATOM 1458 HG13 ILE A 93 20.111 39.990 6.788 1.00 0.00 H ATOM 1459 HD11 ILE A 93 21.718 38.864 8.243 1.00 0.00 H ATOM 1460 HD12 ILE A 93 20.381 38.271 9.259 1.00 0.00 H ATOM 1461 HD13 ILE A 93 20.527 37.723 7.571 1.00 0.00 H ATOM 1462 HG21 ILE A 93 19.554 41.571 10.713 1.00 0.00 H ATOM 1463 HG22 ILE A 93 18.328 40.477 10.026 1.00 0.00 H ATOM 1464 HG23 ILE A 93 19.914 39.838 10.524 1.00 0.00 H ATOM 1465 H ILE A 93 17.383 41.032 7.799 1.00 0.00 H ATOM 1466 N GLY A 94 18.994 42.500 5.643 1.00 21.61 N ATOM 1467 CA GLY A 94 19.458 42.796 4.295 1.00 22.09 C ATOM 1468 C GLY A 94 20.074 41.624 3.550 1.00 23.15 C ATOM 1469 O GLY A 94 20.858 41.813 2.617 1.00 22.19 O ATOM 1470 HA3 GLY A 94 20.207 43.585 4.362 1.00 0.00 H ATOM 1471 HA2 GLY A 94 18.607 43.154 3.716 1.00 0.00 H ATOM 1472 H GLY A 94 17.986 42.297 5.799 1.00 0.00 H ATOM 1473 N CYS A 95 19.659 40.415 3.910 1.00 23.72 N ATOM 1474 CA CYS A 95 20.177 39.203 3.299 1.00 23.61 C ATOM 1475 C CYS A 95 19.518 38.868 1.961 1.00 21.33 C ATOM 1476 O CYS A 95 18.297 38.926 1.827 1.00 19.81 O ATOM 1477 CB CYS A 95 20.028 38.043 4.286 1.00 24.76 C ATOM 1478 SG CYS A 95 20.772 36.499 3.753 1.00 25.35 S ATOM 1479 HA CYS A 95 21.230 39.373 3.073 1.00 0.00 H ATOM 1480 HB2 CYS A 95 18.964 37.869 4.447 1.00 0.00 H ATOM 1481 HB3 CYS A 95 20.493 38.337 5.227 1.00 0.00 H ATOM 1482 HG CYS A 95 20.573 35.536 4.721 1.00 0.00 H ATOM 1483 H CYS A 95 18.938 40.333 4.655 1.00 0.00 H ATOM 1484 N THR A 96 20.341 38.561 0.962 1.00 20.33 N ATOM 1485 CA THR A 96 19.860 38.210 -0.364 1.00 18.25 C ATOM 1486 C THR A 96 20.612 36.986 -0.892 1.00 19.60 C ATOM 1487 O THR A 96 21.598 36.550 -0.293 1.00 19.63 O ATOM 1488 CB THR A 96 20.064 39.376 -1.372 1.00 22.47 C ATOM 1489 OG1 THR A 96 21.454 39.734 -1.436 1.00 19.05 O ATOM 1490 CG2 THR A 96 19.235 40.592 -0.973 1.00 21.93 C ATOM 1491 HA THR A 96 18.795 37.996 -0.273 1.00 0.00 H ATOM 1492 HB THR A 96 19.732 39.039 -2.354 1.00 0.00 H ATOM 1493 HG1 THR A 96 21.761 40.021 -0.540 1.00 0.00 H ATOM 1494 HG23 THR A 96 18.182 40.313 -0.926 1.00 0.00 H ATOM 1495 HG21 THR A 96 19.561 40.948 0.004 1.00 0.00 H ATOM 1496 HG22 THR A 96 19.371 41.381 -1.712 1.00 0.00 H ATOM 1497 H THR A 96 21.366 38.573 1.136 1.00 0.00 H ATOM 1498 N LEU A 97 20.112 36.418 -1.989 1.00 20.78 N ATOM 1499 CA LEU A 97 20.730 35.272 -2.642 1.00 22.57 C ATOM 1500 C LEU A 97 21.420 35.835 -3.872 1.00 23.96 C ATOM 1501 O LEU A 97 20.823 36.632 -4.608 1.00 24.13 O ATOM 1502 CB LEU A 97 19.673 34.255 -3.082 1.00 22.54 C ATOM 1503 CG LEU A 97 19.080 33.341 -2.016 1.00 22.40 C ATOM 1504 CD1 LEU A 97 17.957 32.555 -2.636 1.00 23.10 C ATOM 1505 CD2 LEU A 97 20.159 32.408 -1.468 1.00 23.50 C ATOM 1506 HA LEU A 97 21.416 34.759 -1.968 1.00 0.00 H ATOM 1507 HB2 LEU A 97 18.849 34.813 -3.527 1.00 0.00 H ATOM 1508 HB3 LEU A 97 20.130 33.618 -3.840 1.00 0.00 H ATOM 1509 HG LEU A 97 18.695 33.930 -1.184 1.00 0.00 H ATOM 1510 HD21 LEU A 97 20.559 31.801 -2.280 1.00 0.00 H ATOM 1511 HD22 LEU A 97 20.961 33.001 -1.027 1.00 0.00 H ATOM 1512 HD23 LEU A 97 19.725 31.759 -0.707 1.00 0.00 H ATOM 1513 HD11 LEU A 97 17.195 33.242 -3.005 1.00 0.00 H ATOM 1514 HD12 LEU A 97 18.345 31.961 -3.464 1.00 0.00 H ATOM 1515 HD13 LEU A 97 17.520 31.895 -1.887 1.00 0.00 H ATOM 1516 H LEU A 97 19.240 36.811 -2.398 1.00 0.00 H ATOM 1517 N ASN A 98 22.666 35.434 -4.105 1.00 24.49 N ATOM 1518 CA ASN A 98 23.401 35.944 -5.255 1.00 26.03 C ATOM 1519 C ASN A 98 24.133 34.850 -5.997 1.00 26.89 C ATOM 1520 O ASN A 98 24.702 33.950 -5.383 1.00 27.74 O ATOM 1521 CB ASN A 98 24.403 37.027 -4.828 1.00 26.30 C ATOM 1522 CG ASN A 98 23.726 38.278 -4.303 1.00 22.31 C ATOM 1523 OD1 ASN A 98 23.441 39.203 -5.056 1.00 30.47 O ATOM 1524 ND2 ASN A 98 23.463 38.310 -3.010 1.00 17.03 N ATOM 1525 HA ASN A 98 22.661 36.376 -5.929 1.00 0.00 H ATOM 1526 HB2 ASN A 98 25.042 36.621 -4.044 1.00 0.00 H ATOM 1527 HB3 ASN A 98 25.014 37.296 -5.690 1.00 0.00 H ATOM 1528 HD22 ASN A 98 23.722 37.503 -2.407 1.00 0.00 H ATOM 1529 HD21 ASN A 98 22.997 39.142 -2.595 1.00 0.00 H ATOM 1530 H ASN A 98 23.119 34.753 -3.463 1.00 0.00 H ATOM 1531 N PHE A 99 24.083 34.933 -7.321 1.00 28.21 N ATOM 1532 CA PHE A 99 24.746 34.002 -8.223 1.00 30.62 C ATOM 1533 C PHE A 99 24.713 34.598 -9.632 1.00 32.03 C ATOM 1534 O PHE A 99 24.120 35.687 -9.800 1.00 32.20 O ATOM 1535 CB PHE A 99 24.085 32.607 -8.198 1.00 30.98 C ATOM 1536 CG PHE A 99 22.683 32.566 -8.754 1.00 30.39 C ATOM 1537 CD1 PHE A 99 22.465 32.317 -10.106 1.00 30.16 C ATOM 1538 CD2 PHE A 99 21.581 32.734 -7.919 1.00 29.91 C ATOM 1539 CE1 PHE A 99 21.174 32.233 -10.619 1.00 29.55 C ATOM 1540 CE2 PHE A 99 20.288 32.652 -8.422 1.00 29.71 C ATOM 1541 CZ PHE A 99 20.085 32.400 -9.773 1.00 29.93 C ATOM 1542 HA PHE A 99 25.777 33.859 -7.898 1.00 0.00 H ATOM 1543 OXT PHE A 99 25.281 33.985 -10.553 1.00 34.22 O ATOM 1544 HB2 PHE A 99 24.703 31.927 -8.784 1.00 0.00 H ATOM 1545 HB3 PHE A 99 24.051 32.265 -7.164 1.00 0.00 H ATOM 1546 HD2 PHE A 99 21.734 32.932 -6.858 1.00 0.00 H ATOM 1547 HE2 PHE A 99 19.434 32.785 -7.757 1.00 0.00 H ATOM 1548 HZ PHE A 99 19.072 32.333 -10.169 1.00 0.00 H ATOM 1549 HE1 PHE A 99 21.018 32.037 -11.680 1.00 0.00 H ATOM 1550 HD1 PHE A 99 23.318 32.186 -10.772 1.00 0.00 H ATOM 1551 H PHE A 99 23.536 35.712 -7.740 1.00 0.00 H TER 1552 PHE A 99 ATOM 1553 N PRO B 1 21.963 36.625 -10.763 1.00 39.73 N ATOM 1554 CA PRO B 1 21.167 37.809 -10.371 1.00 38.31 C ATOM 1555 C PRO B 1 21.089 37.885 -8.856 1.00 35.37 C ATOM 1556 O PRO B 1 21.661 37.046 -8.165 1.00 34.32 O ATOM 1557 CB PRO B 1 19.774 37.607 -10.959 1.00 38.95 C ATOM 1558 CG PRO B 1 19.713 36.081 -11.098 1.00 39.46 C ATOM 1559 CD PRO B 1 21.125 35.720 -11.570 1.00 40.01 C ATOM 1560 HA PRO B 1 21.614 38.734 -10.735 1.00 0.00 H ATOM 1561 HD3 PRO B 1 21.357 34.675 -11.362 1.00 0.00 H ATOM 1562 HD2 PRO B 1 21.247 35.913 -12.636 1.00 0.00 H ATOM 1563 HG3 PRO B 1 18.966 35.784 -11.834 1.00 0.00 H ATOM 1564 HG2 PRO B 1 19.487 35.609 -10.142 1.00 0.00 H ATOM 1565 HB2 PRO B 1 19.001 37.976 -10.285 1.00 0.00 H ATOM 1566 HB3 PRO B 1 19.676 38.099 -11.927 1.00 0.00 H ATOM 1567 N GLN B 2 20.417 38.909 -8.345 1.00 32.00 N ATOM 1568 CA GLN B 2 20.246 39.060 -6.909 1.00 29.86 C ATOM 1569 C GLN B 2 18.778 38.803 -6.625 1.00 29.08 C ATOM 1570 O GLN B 2 17.906 39.300 -7.342 1.00 28.92 O ATOM 1571 CB GLN B 2 20.624 40.460 -6.433 1.00 25.26 C ATOM 1572 CG GLN B 2 20.356 40.646 -4.955 1.00 26.89 C ATOM 1573 CD GLN B 2 20.874 41.951 -4.421 1.00 35.21 C ATOM 1574 OE1 GLN B 2 22.011 42.036 -3.962 1.00 42.09 O ATOM 1575 NE2 GLN B 2 20.043 42.980 -4.468 1.00 43.24 N ATOM 1576 HA GLN B 2 20.897 38.364 -6.381 1.00 0.00 H ATOM 1577 HB2 GLN B 2 21.685 40.622 -6.622 1.00 0.00 H ATOM 1578 HB3 GLN B 2 20.041 41.192 -6.992 1.00 0.00 H ATOM 1579 HG2 GLN B 2 19.279 40.606 -4.790 1.00 0.00 H ATOM 1580 HG3 GLN B 2 20.836 39.833 -4.410 1.00 0.00 H ATOM 1581 HE22 GLN B 2 19.089 42.861 -4.866 1.00 0.00 H ATOM 1582 HE21 GLN B 2 20.344 43.908 -4.107 1.00 0.00 H ATOM 1583 H GLN B 2 20.004 39.618 -8.985 1.00 0.00 H ATOM 1584 N ILE B 3 18.503 38.013 -5.595 1.00 26.73 N ATOM 1585 CA ILE B 3 17.136 37.682 -5.236 1.00 23.41 C ATOM 1586 C ILE B 3 16.877 38.107 -3.795 1.00 22.18 C ATOM 1587 O ILE B 3 17.554 37.641 -2.879 1.00 21.22 O ATOM 1588 CB ILE B 3 16.887 36.152 -5.398 1.00 22.16 C ATOM 1589 CG1 ILE B 3 17.079 35.744 -6.859 1.00 21.34 C ATOM 1590 CG2 ILE B 3 15.481 35.785 -4.960 1.00 20.91 C ATOM 1591 CD1 ILE B 3 17.067 34.255 -7.095 1.00 19.02 C ATOM 1592 HA ILE B 3 16.453 38.212 -5.899 1.00 0.00 H ATOM 1593 HB ILE B 3 17.603 35.623 -4.769 1.00 0.00 H ATOM 1594 HG12 ILE B 3 16.276 36.189 -7.446 1.00 0.00 H ATOM 1595 HG13 ILE B 3 18.037 36.136 -7.200 1.00 0.00 H ATOM 1596 HD11 ILE B 3 17.873 33.792 -6.526 1.00 0.00 H ATOM 1597 HD12 ILE B 3 16.110 33.845 -6.772 1.00 0.00 H ATOM 1598 HD13 ILE B 3 17.210 34.056 -8.157 1.00 0.00 H ATOM 1599 HG21 ILE B 3 15.346 36.054 -3.912 1.00 0.00 H ATOM 1600 HG22 ILE B 3 14.759 36.326 -5.571 1.00 0.00 H ATOM 1601 HG23 ILE B 3 15.332 34.712 -5.083 1.00 0.00 H ATOM 1602 H ILE B 3 19.285 37.622 -5.032 1.00 0.00 H ATOM 1603 N THR B 4 15.965 39.056 -3.598 1.00 21.22 N ATOM 1604 CA THR B 4 15.641 39.482 -2.241 1.00 19.16 C ATOM 1605 C THR B 4 14.710 38.404 -1.666 1.00 18.56 C ATOM 1606 O THR B 4 14.210 37.554 -2.404 1.00 18.95 O ATOM 1607 CB THR B 4 14.974 40.883 -2.203 1.00 22.47 C ATOM 1608 OG1 THR B 4 13.886 40.936 -3.136 1.00 22.35 O ATOM 1609 CG2 THR B 4 15.987 41.968 -2.545 1.00 20.33 C ATOM 1610 HA THR B 4 16.550 39.584 -1.648 1.00 0.00 H ATOM 1611 HB THR B 4 14.597 41.055 -1.195 1.00 0.00 H ATOM 1612 HG1 THR B 4 13.214 40.249 -2.897 1.00 0.00 H ATOM 1613 HG23 THR B 4 16.814 41.928 -1.836 1.00 0.00 H ATOM 1614 HG21 THR B 4 16.364 41.806 -3.555 1.00 0.00 H ATOM 1615 HG22 THR B 4 15.505 42.944 -2.488 1.00 0.00 H ATOM 1616 H THR B 4 15.484 39.493 -4.410 1.00 0.00 H ATOM 1617 N LEU B 5 14.425 38.463 -0.373 1.00 17.31 N ATOM 1618 CA LEU B 5 13.597 37.438 0.245 1.00 17.46 C ATOM 1619 C LEU B 5 12.248 37.922 0.794 1.00 18.31 C ATOM 1620 O LEU B 5 11.704 37.332 1.730 1.00 17.74 O ATOM 1621 CB LEU B 5 14.411 36.765 1.353 1.00 16.33 C ATOM 1622 CG LEU B 5 15.768 36.226 0.882 1.00 14.60 C ATOM 1623 CD1 LEU B 5 16.611 35.792 2.079 1.00 12.34 C ATOM 1624 CD2 LEU B 5 15.545 35.088 -0.101 1.00 13.86 C ATOM 1625 HA LEU B 5 13.330 36.739 -0.547 1.00 0.00 H ATOM 1626 HB2 LEU B 5 14.586 37.495 2.143 1.00 0.00 H ATOM 1627 HB3 LEU B 5 13.829 35.933 1.751 1.00 0.00 H ATOM 1628 HG LEU B 5 16.321 37.013 0.369 1.00 0.00 H ATOM 1629 HD21 LEU B 5 14.986 34.291 0.389 1.00 0.00 H ATOM 1630 HD22 LEU B 5 14.981 35.455 -0.958 1.00 0.00 H ATOM 1631 HD23 LEU B 5 16.509 34.705 -0.436 1.00 0.00 H ATOM 1632 HD11 LEU B 5 16.775 36.647 2.735 1.00 0.00 H ATOM 1633 HD12 LEU B 5 16.087 35.008 2.626 1.00 0.00 H ATOM 1634 HD13 LEU B 5 17.570 35.412 1.728 1.00 0.00 H ATOM 1635 H LEU B 5 14.795 39.246 0.203 1.00 0.00 H ATOM 1636 N TRP B 6 11.700 38.977 0.197 1.00 18.32 N ATOM 1637 CA TRP B 6 10.426 39.544 0.645 1.00 18.45 C ATOM 1638 C TRP B 6 9.315 38.570 0.318 1.00 19.41 C ATOM 1639 O TRP B 6 8.280 38.532 0.980 1.00 20.85 O ATOM 1640 CB TRP B 6 10.202 40.902 -0.023 1.00 17.80 C ATOM 1641 CG TRP B 6 11.275 41.873 0.367 1.00 16.39 C ATOM 1642 CD1 TRP B 6 12.377 42.220 -0.369 1.00 15.87 C ATOM 1643 CD2 TRP B 6 11.404 42.540 1.624 1.00 14.77 C ATOM 1644 NE1 TRP B 6 13.191 43.051 0.368 1.00 15.65 N ATOM 1645 CE2 TRP B 6 12.618 43.267 1.593 1.00 15.17 C ATOM 1646 CE3 TRP B 6 10.616 42.592 2.782 1.00 14.31 C ATOM 1647 CZ2 TRP B 6 13.061 44.038 2.678 1.00 14.67 C ATOM 1648 CZ3 TRP B 6 11.058 43.357 3.861 1.00 14.43 C ATOM 1649 CH2 TRP B 6 12.271 44.069 3.799 1.00 14.27 C ATOM 1650 HA TRP B 6 10.438 39.705 1.723 1.00 0.00 H ATOM 1651 HB2 TRP B 6 10.212 40.774 -1.105 1.00 0.00 H ATOM 1652 HB3 TRP B 6 9.234 41.297 0.286 1.00 0.00 H ATOM 1653 HE1 TRP B 6 14.096 43.450 0.046 1.00 0.00 H ATOM 1654 HD1 TRP B 6 12.580 41.888 -1.387 1.00 0.00 H ATOM 1655 HZ2 TRP B 6 13.999 44.592 2.632 1.00 0.00 H ATOM 1656 HH2 TRP B 6 12.589 44.657 4.660 1.00 0.00 H ATOM 1657 HZ3 TRP B 6 10.454 43.404 4.767 1.00 0.00 H ATOM 1658 HE3 TRP B 6 9.675 42.045 2.838 1.00 0.00 H ATOM 1659 H TRP B 6 12.190 39.412 -0.611 1.00 0.00 H ATOM 1660 N LYS B 7 9.560 37.774 -0.709 1.00 21.03 N ATOM 1661 CA LYS B 7 8.638 36.743 -1.131 1.00 23.69 C ATOM 1662 C LYS B 7 9.461 35.463 -1.341 1.00 23.34 C ATOM 1663 O LYS B 7 10.696 35.501 -1.299 1.00 21.59 O ATOM 1664 CB LYS B 7 7.833 37.171 -2.368 1.00 26.13 C ATOM 1665 CG LYS B 7 8.607 37.607 -3.580 1.00 32.69 C ATOM 1666 CD LYS B 7 7.645 38.251 -4.577 1.00 47.03 C ATOM 1667 CE LYS B 7 8.312 38.577 -5.909 1.00 57.33 C ATOM 1668 NZ LYS B 7 8.752 37.355 -6.635 1.00 60.28 N ATOM 1669 HA LYS B 7 7.879 36.558 -0.371 1.00 0.00 H ATOM 1670 HB2 LYS B 7 7.212 36.325 -2.663 1.00 0.00 H ATOM 1671 HB3 LYS B 7 7.194 38.003 -2.071 1.00 0.00 H ATOM 1672 HG2 LYS B 7 9.369 38.330 -3.287 1.00 0.00 H ATOM 1673 HG3 LYS B 7 9.086 36.742 -4.039 1.00 0.00 H ATOM 1674 HD2 LYS B 7 6.819 37.564 -4.759 1.00 0.00 H ATOM 1675 HD3 LYS B 7 7.260 39.174 -4.144 1.00 0.00 H ATOM 1676 HE2 LYS B 7 9.182 39.206 -5.721 1.00 0.00 H ATOM 1677 HE3 LYS B 7 7.602 39.119 -6.533 1.00 0.00 H ATOM 1678 HZ1 LYS B 7 9.436 36.834 -6.051 1.00 0.00 H ATOM 1679 HZ2 LYS B 7 7.927 36.751 -6.827 1.00 0.00 H ATOM 1680 HZ3 LYS B 7 9.199 37.629 -7.533 1.00 0.00 H ATOM 1681 H LYS B 7 10.450 37.894 -1.233 1.00 0.00 H ATOM 1682 N ARG B 8 8.791 34.325 -1.467 1.00 23.12 N ATOM 1683 CA ARG B 8 9.495 33.055 -1.636 1.00 19.57 C ATOM 1684 C ARG B 8 10.409 33.022 -2.844 1.00 15.09 C ATOM 1685 O ARG B 8 9.974 33.329 -3.953 1.00 12.06 O ATOM 1686 CB ARG B 8 8.508 31.891 -1.701 1.00 15.02 C ATOM 1687 CG ARG B 8 7.803 31.636 -0.396 1.00 12.06 C ATOM 1688 CD ARG B 8 6.823 30.509 -0.564 1.00 20.95 C ATOM 1689 NE ARG B 8 6.093 30.241 0.667 1.00 23.78 N ATOM 1690 CZ ARG B 8 4.795 29.965 0.715 1.00 29.69 C ATOM 1691 NH1 ARG B 8 4.091 29.900 -0.408 1.00 24.58 N ATOM 1692 NH2 ARG B 8 4.203 29.736 1.877 1.00 20.86 N ATOM 1693 HA ARG B 8 10.131 32.952 -0.757 1.00 0.00 H ATOM 1694 HB2 ARG B 8 7.759 32.114 -2.461 1.00 0.00 H ATOM 1695 HB3 ARG B 8 9.053 30.990 -1.982 1.00 0.00 H ATOM 1696 HG2 ARG B 8 8.535 31.370 0.366 1.00 0.00 H ATOM 1697 HG3 ARG B 8 7.271 32.537 -0.089 1.00 0.00 H ATOM 1698 HD2 ARG B 8 7.365 29.610 -0.856 1.00 0.00 H ATOM 1699 HD3 ARG B 8 6.112 30.773 -1.346 1.00 0.00 H ATOM 1700 HE ARG B 8 6.620 30.267 1.563 1.00 0.00 H ATOM 1701 HH12 ARG B 8 3.074 29.684 -0.373 1.00 0.00 H ATOM 1702 HH11 ARG B 8 4.556 30.065 -1.324 1.00 0.00 H ATOM 1703 HH22 ARG B 8 3.186 29.520 1.909 1.00 0.00 H ATOM 1704 HH21 ARG B 8 4.755 29.772 2.758 1.00 0.00 H ATOM 1705 H ARG B 8 7.751 34.336 -1.445 1.00 0.00 H ATOM 1706 N PRO B 9 11.681 32.652 -2.650 1.00 15.16 N ATOM 1707 CA PRO B 9 12.652 32.587 -3.746 1.00 15.83 C ATOM 1708 C PRO B 9 12.409 31.400 -4.686 1.00 18.68 C ATOM 1709 O PRO B 9 13.216 30.467 -4.735 1.00 19.18 O ATOM 1710 CB PRO B 9 13.989 32.468 -3.023 1.00 15.48 C ATOM 1711 CG PRO B 9 13.624 31.673 -1.785 1.00 15.55 C ATOM 1712 CD PRO B 9 12.345 32.354 -1.351 1.00 14.11 C ATOM 1713 HA PRO B 9 12.592 33.456 -4.401 1.00 0.00 H ATOM 1714 HD3 PRO B 9 11.734 31.691 -0.739 1.00 0.00 H ATOM 1715 HD2 PRO B 9 12.554 33.269 -0.796 1.00 0.00 H ATOM 1716 HG3 PRO B 9 14.396 31.752 -1.020 1.00 0.00 H ATOM 1717 HG2 PRO B 9 13.455 30.623 -2.022 1.00 0.00 H ATOM 1718 HB2 PRO B 9 14.720 31.936 -3.632 1.00 0.00 H ATOM 1719 HB3 PRO B 9 14.383 33.449 -2.759 1.00 0.00 H ATOM 1720 N LEU B 10 11.297 31.443 -5.414 1.00 20.10 N ATOM 1721 CA LEU B 10 10.917 30.397 -6.366 1.00 20.81 C ATOM 1722 C LEU B 10 11.461 30.720 -7.741 1.00 21.13 C ATOM 1723 O LEU B 10 11.329 31.849 -8.205 1.00 25.60 O ATOM 1724 CB LEU B 10 9.397 30.318 -6.483 1.00 21.13 C ATOM 1725 CG LEU B 10 8.621 29.909 -5.244 1.00 24.26 C ATOM 1726 CD1 LEU B 10 7.156 30.269 -5.425 1.00 26.34 C ATOM 1727 CD2 LEU B 10 8.787 28.425 -5.032 1.00 26.73 C ATOM 1728 HA LEU B 10 11.323 29.452 -6.005 1.00 0.00 H ATOM 1729 HB2 LEU B 10 9.040 31.304 -6.782 1.00 0.00 H ATOM 1730 HB3 LEU B 10 9.166 29.596 -7.267 1.00 0.00 H ATOM 1731 HG LEU B 10 8.999 30.436 -4.368 1.00 0.00 H ATOM 1732 HD21 LEU B 10 8.404 27.890 -5.901 1.00 0.00 H ATOM 1733 HD22 LEU B 10 9.844 28.194 -4.899 1.00 0.00 H ATOM 1734 HD23 LEU B 10 8.233 28.122 -4.144 1.00 0.00 H ATOM 1735 HD11 LEU B 10 7.063 31.345 -5.575 1.00 0.00 H ATOM 1736 HD12 LEU B 10 6.759 29.744 -6.294 1.00 0.00 H ATOM 1737 HD13 LEU B 10 6.598 29.975 -4.536 1.00 0.00 H ATOM 1738 H LEU B 10 10.665 32.261 -5.302 1.00 0.00 H ATOM 1739 N VAL B 11 12.030 29.731 -8.414 1.00 17.33 N ATOM 1740 CA VAL B 11 12.566 29.938 -9.753 1.00 17.73 C ATOM 1741 C VAL B 11 12.081 28.822 -10.660 1.00 19.46 C ATOM 1742 O VAL B 11 11.491 27.849 -10.188 1.00 20.92 O ATOM 1743 CB VAL B 11 14.121 29.955 -9.766 1.00 17.41 C ATOM 1744 CG1 VAL B 11 14.638 31.134 -8.947 1.00 17.81 C ATOM 1745 CG2 VAL B 11 14.680 28.635 -9.236 1.00 16.36 C ATOM 1746 HA VAL B 11 12.216 30.909 -10.104 1.00 0.00 H ATOM 1747 HB VAL B 11 14.462 30.073 -10.795 1.00 0.00 H ATOM 1748 HG11 VAL B 11 14.265 32.064 -9.376 1.00 0.00 H ATOM 1749 HG12 VAL B 11 14.289 31.041 -7.919 1.00 0.00 H ATOM 1750 HG13 VAL B 11 15.728 31.136 -8.963 1.00 0.00 H ATOM 1751 HG21 VAL B 11 14.337 28.482 -8.213 1.00 0.00 H ATOM 1752 HG22 VAL B 11 14.331 27.816 -9.864 1.00 0.00 H ATOM 1753 HG23 VAL B 11 15.769 28.670 -9.254 1.00 0.00 H ATOM 1754 H VAL B 11 12.095 28.789 -7.978 1.00 0.00 H ATOM 1755 N THR B 12 12.274 28.987 -11.962 1.00 19.84 N ATOM 1756 CA THR B 12 11.887 27.958 -12.908 1.00 23.01 C ATOM 1757 C THR B 12 13.105 27.070 -13.141 1.00 26.10 C ATOM 1758 O THR B 12 14.221 27.570 -13.352 1.00 26.54 O ATOM 1759 CB THR B 12 11.454 28.554 -14.260 1.00 26.66 C ATOM 1760 OG1 THR B 12 10.364 29.458 -14.055 1.00 31.55 O ATOM 1761 CG2 THR B 12 11.000 27.448 -15.213 1.00 25.03 C ATOM 1762 HA THR B 12 11.042 27.404 -12.500 1.00 0.00 H ATOM 1763 HB THR B 12 12.305 29.078 -14.696 1.00 0.00 H ATOM 1764 HG1 THR B 12 9.604 28.970 -13.650 1.00 0.00 H ATOM 1765 HG23 THR B 12 11.822 26.752 -15.378 1.00 0.00 H ATOM 1766 HG21 THR B 12 10.155 26.917 -14.775 1.00 0.00 H ATOM 1767 HG22 THR B 12 10.700 27.889 -16.163 1.00 0.00 H ATOM 1768 H THR B 12 12.709 29.866 -12.309 1.00 0.00 H ATOM 1769 N ILE B 13 12.896 25.763 -13.023 1.00 25.49 N ATOM 1770 CA ILE B 13 13.949 24.778 -13.253 1.00 24.07 C ATOM 1771 C ILE B 13 13.473 23.869 -14.372 1.00 24.43 C ATOM 1772 O ILE B 13 12.268 23.749 -14.610 1.00 25.09 O ATOM 1773 CB ILE B 13 14.230 23.893 -12.005 1.00 22.62 C ATOM 1774 CG1 ILE B 13 13.003 23.032 -11.672 1.00 21.05 C ATOM 1775 CG2 ILE B 13 14.668 24.763 -10.823 1.00 22.82 C ATOM 1776 CD1 ILE B 13 13.265 21.928 -10.654 1.00 18.77 C ATOM 1777 HA ILE B 13 14.870 25.310 -13.493 1.00 0.00 H ATOM 1778 HB ILE B 13 15.051 23.211 -12.226 1.00 0.00 H ATOM 1779 HG12 ILE B 13 12.226 23.685 -11.275 1.00 0.00 H ATOM 1780 HG13 ILE B 13 12.651 22.569 -12.594 1.00 0.00 H ATOM 1781 HD11 ILE B 13 14.031 21.255 -11.039 1.00 0.00 H ATOM 1782 HD12 ILE B 13 13.606 22.372 -9.719 1.00 0.00 H ATOM 1783 HD13 ILE B 13 12.345 21.371 -10.479 1.00 0.00 H ATOM 1784 HG21 ILE B 13 15.577 25.303 -11.088 1.00 0.00 H ATOM 1785 HG22 ILE B 13 13.877 25.474 -10.584 1.00 0.00 H ATOM 1786 HG23 ILE B 13 14.861 24.128 -9.958 1.00 0.00 H ATOM 1787 H ILE B 13 11.948 25.429 -12.757 1.00 0.00 H ATOM 1788 N LYS B 14 14.411 23.249 -15.076 1.00 25.05 N ATOM 1789 CA LYS B 14 14.071 22.329 -16.148 1.00 23.92 C ATOM 1790 C LYS B 14 14.754 21.004 -15.854 1.00 24.68 C ATOM 1791 O LYS B 14 15.985 20.914 -15.817 1.00 24.45 O ATOM 1792 CB LYS B 14 14.507 22.872 -17.513 1.00 15.92 C ATOM 1793 CG LYS B 14 14.088 21.983 -18.664 1.00 19.45 C ATOM 1794 CD LYS B 14 14.158 22.690 -20.010 1.00 19.48 C ATOM 1795 CE LYS B 14 15.571 23.084 -20.381 1.00 28.23 C ATOM 1796 NZ LYS B 14 15.580 23.729 -21.724 1.00 33.35 N ATOM 1797 HA LYS B 14 12.990 22.200 -16.193 1.00 0.00 H ATOM 1798 HB2 LYS B 14 14.061 23.857 -17.654 1.00 0.00 H ATOM 1799 HB3 LYS B 14 15.593 22.962 -17.521 1.00 0.00 H ATOM 1800 HG2 LYS B 14 14.746 21.115 -18.692 1.00 0.00 H ATOM 1801 HG3 LYS B 14 13.062 21.655 -18.496 1.00 0.00 H ATOM 1802 HD2 LYS B 14 13.767 22.022 -20.778 1.00 0.00 H ATOM 1803 HD3 LYS B 14 13.544 23.589 -19.966 1.00 0.00 H ATOM 1804 HE2 LYS B 14 16.201 22.195 -20.402 1.00 0.00 H ATOM 1805 HE3 LYS B 14 15.958 23.784 -19.641 1.00 0.00 H ATOM 1806 HZ1 LYS B 14 15.212 23.060 -22.431 1.00 0.00 H ATOM 1807 HZ2 LYS B 14 14.980 24.578 -21.703 1.00 0.00 H ATOM 1808 HZ3 LYS B 14 16.554 23.997 -21.972 1.00 0.00 H ATOM 1809 H LYS B 14 15.412 23.425 -14.856 1.00 0.00 H ATOM 1810 N ILE B 15 13.945 19.986 -15.601 1.00 25.21 N ATOM 1811 CA ILE B 15 14.457 18.658 -15.302 1.00 26.74 C ATOM 1812 C ILE B 15 13.731 17.652 -16.193 1.00 27.92 C ATOM 1813 O ILE B 15 12.532 17.422 -16.052 1.00 29.11 O ATOM 1814 CB ILE B 15 14.314 18.327 -13.771 1.00 27.17 C ATOM 1815 CG1 ILE B 15 14.853 16.929 -13.463 1.00 27.26 C ATOM 1816 CG2 ILE B 15 12.872 18.490 -13.295 1.00 26.79 C ATOM 1817 CD1 ILE B 15 15.008 16.660 -11.977 1.00 20.83 C ATOM 1818 HA ILE B 15 15.524 18.607 -15.516 1.00 0.00 H ATOM 1819 HB ILE B 15 14.917 19.046 -13.217 1.00 0.00 H ATOM 1820 HG12 ILE B 15 14.165 16.193 -13.878 1.00 0.00 H ATOM 1821 HG13 ILE B 15 15.828 16.821 -13.938 1.00 0.00 H ATOM 1822 HD11 ILE B 15 15.703 17.382 -11.549 1.00 0.00 H ATOM 1823 HD12 ILE B 15 14.038 16.754 -11.489 1.00 0.00 H ATOM 1824 HD13 ILE B 15 15.394 15.651 -11.830 1.00 0.00 H ATOM 1825 HG21 ILE B 15 12.551 19.519 -13.457 1.00 0.00 H ATOM 1826 HG22 ILE B 15 12.227 17.814 -13.856 1.00 0.00 H ATOM 1827 HG23 ILE B 15 12.812 18.253 -12.233 1.00 0.00 H ATOM 1828 H ILE B 15 12.917 20.140 -15.617 1.00 0.00 H ATOM 1829 N GLY B 16 14.451 17.130 -17.178 1.00 29.04 N ATOM 1830 CA GLY B 16 13.864 16.172 -18.093 1.00 32.74 C ATOM 1831 C GLY B 16 13.001 16.810 -19.164 1.00 35.62 C ATOM 1832 O GLY B 16 12.048 16.202 -19.653 1.00 35.85 O ATOM 1833 HA3 GLY B 16 13.248 15.480 -17.520 1.00 0.00 H ATOM 1834 HA2 GLY B 16 14.669 15.622 -18.580 1.00 0.00 H ATOM 1835 H GLY B 16 15.446 17.411 -17.294 1.00 0.00 H ATOM 1836 N GLY B 17 13.332 18.040 -19.535 1.00 37.00 N ATOM 1837 CA GLY B 17 12.564 18.727 -20.557 1.00 38.12 C ATOM 1838 C GLY B 17 11.272 19.363 -20.070 1.00 38.67 C ATOM 1839 O GLY B 17 10.611 20.079 -20.829 1.00 41.14 O ATOM 1840 HA3 GLY B 17 12.314 18.006 -21.335 1.00 0.00 H ATOM 1841 HA2 GLY B 17 13.190 19.513 -20.980 1.00 0.00 H ATOM 1842 H GLY B 17 14.145 18.514 -19.092 1.00 0.00 H ATOM 1843 N GLN B 18 10.884 19.093 -18.827 1.00 35.32 N ATOM 1844 CA GLN B 18 9.665 19.681 -18.291 1.00 33.84 C ATOM 1845 C GLN B 18 10.002 20.757 -17.268 1.00 31.33 C ATOM 1846 O GLN B 18 10.874 20.563 -16.421 1.00 31.59 O ATOM 1847 CB GLN B 18 8.726 18.606 -17.708 1.00 40.22 C ATOM 1848 CG GLN B 18 9.350 17.635 -16.695 1.00 59.57 C ATOM 1849 CD GLN B 18 8.468 16.403 -16.410 1.00 69.87 C ATOM 1850 OE1 GLN B 18 8.541 15.399 -17.121 1.00 78.12 O ATOM 1851 NE2 GLN B 18 7.645 16.479 -15.368 1.00 60.50 N ATOM 1852 HA GLN B 18 9.125 20.155 -19.110 1.00 0.00 H ATOM 1853 HB2 GLN B 18 7.901 19.118 -17.213 1.00 0.00 H ATOM 1854 HB3 GLN B 18 8.339 18.016 -18.539 1.00 0.00 H ATOM 1855 HG2 GLN B 18 10.307 17.292 -17.088 1.00 0.00 H ATOM 1856 HG3 GLN B 18 9.513 18.169 -15.759 1.00 0.00 H ATOM 1857 HE22 GLN B 18 7.613 17.345 -14.793 1.00 0.00 H ATOM 1858 HE21 GLN B 18 7.033 15.673 -15.129 1.00 0.00 H ATOM 1859 H GLN B 18 11.455 18.458 -18.234 1.00 0.00 H ATOM 1860 N LEU B 19 9.390 21.927 -17.427 1.00 27.24 N ATOM 1861 CA LEU B 19 9.604 23.047 -16.511 1.00 25.03 C ATOM 1862 C LEU B 19 8.827 22.815 -15.219 1.00 23.91 C ATOM 1863 O LEU B 19 7.744 22.226 -15.229 1.00 23.18 O ATOM 1864 CB LEU B 19 9.137 24.366 -17.132 1.00 24.24 C ATOM 1865 CG LEU B 19 9.737 24.799 -18.463 1.00 24.27 C ATOM 1866 CD1 LEU B 19 9.089 26.097 -18.907 1.00 24.48 C ATOM 1867 CD2 LEU B 19 11.243 24.964 -18.340 1.00 25.20 C ATOM 1868 HA LEU B 19 10.673 23.110 -16.305 1.00 0.00 H ATOM 1869 HB2 LEU B 19 8.059 24.290 -17.275 1.00 0.00 H ATOM 1870 HB3 LEU B 19 9.352 25.155 -16.411 1.00 0.00 H ATOM 1871 HG LEU B 19 9.545 24.030 -19.212 1.00 0.00 H ATOM 1872 HD21 LEU B 19 11.464 25.722 -17.588 1.00 0.00 H ATOM 1873 HD22 LEU B 19 11.688 24.015 -18.043 1.00 0.00 H ATOM 1874 HD23 LEU B 19 11.653 25.274 -19.301 1.00 0.00 H ATOM 1875 HD11 LEU B 19 8.016 25.945 -19.022 1.00 0.00 H ATOM 1876 HD12 LEU B 19 9.270 26.867 -18.157 1.00 0.00 H ATOM 1877 HD13 LEU B 19 9.518 26.408 -19.860 1.00 0.00 H ATOM 1878 H LEU B 19 8.738 22.049 -18.228 1.00 0.00 H ATOM 1879 N LYS B 20 9.392 23.282 -14.112 1.00 22.81 N ATOM 1880 CA LYS B 20 8.779 23.157 -12.798 1.00 22.28 C ATOM 1881 C LYS B 20 9.217 24.356 -11.981 1.00 24.30 C ATOM 1882 O LYS B 20 10.158 25.066 -12.361 1.00 25.38 O ATOM 1883 CB LYS B 20 9.266 21.899 -12.081 1.00 19.64 C ATOM 1884 CG LYS B 20 8.756 20.595 -12.642 1.00 26.01 C ATOM 1885 CD LYS B 20 9.172 19.453 -11.738 1.00 36.40 C ATOM 1886 CE LYS B 20 8.595 18.149 -12.222 1.00 44.62 C ATOM 1887 NZ LYS B 20 9.192 17.795 -13.523 1.00 52.49 N ATOM 1888 HA LYS B 20 7.696 23.101 -12.909 1.00 0.00 H ATOM 1889 HB2 LYS B 20 10.355 21.884 -12.131 1.00 0.00 H ATOM 1890 HB3 LYS B 20 8.952 21.963 -11.039 1.00 0.00 H ATOM 1891 HG2 LYS B 20 7.668 20.629 -12.707 1.00 0.00 H ATOM 1892 HG3 LYS B 20 9.173 20.440 -13.637 1.00 0.00 H ATOM 1893 HD2 LYS B 20 10.260 19.382 -11.730 1.00 0.00 H ATOM 1894 HD3 LYS B 20 8.814 19.649 -10.727 1.00 0.00 H ATOM 1895 HE2 LYS B 20 7.515 18.249 -12.333 1.00 0.00 H ATOM 1896 HE3 LYS B 20 8.813 17.365 -11.497 1.00 0.00 H ATOM 1897 HZ1 LYS B 20 8.983 18.543 -14.214 1.00 0.00 H ATOM 1898 HZ2 LYS B 20 10.222 17.699 -13.416 1.00 0.00 H ATOM 1899 HZ3 LYS B 20 8.791 16.894 -13.853 1.00 0.00 H ATOM 1900 H LYS B 20 10.313 23.758 -14.187 1.00 0.00 H ATOM 1901 N GLU B 21 8.514 24.604 -10.880 1.00 23.93 N ATOM 1902 CA GLU B 21 8.860 25.700 -9.982 1.00 23.06 C ATOM 1903 C GLU B 21 9.553 25.077 -8.782 1.00 22.14 C ATOM 1904 O GLU B 21 9.103 24.054 -8.264 1.00 21.76 O ATOM 1905 CB GLU B 21 7.607 26.447 -9.504 1.00 23.60 C ATOM 1906 CG GLU B 21 6.975 27.359 -10.533 1.00 34.37 C ATOM 1907 CD GLU B 21 7.907 28.471 -10.979 1.00 46.03 C ATOM 1908 OE1 GLU B 21 8.325 29.281 -10.123 1.00 44.91 O ATOM 1909 OE2 GLU B 21 8.222 28.535 -12.189 1.00 57.92 O ATOM 1910 HA GLU B 21 9.496 26.419 -10.499 1.00 0.00 H ATOM 1911 HB2 GLU B 21 6.864 25.707 -9.206 1.00 0.00 H ATOM 1912 HB3 GLU B 21 7.882 27.051 -8.640 1.00 0.00 H ATOM 1913 HG2 GLU B 21 6.699 26.765 -11.404 1.00 0.00 H ATOM 1914 HG3 GLU B 21 6.080 27.806 -10.101 1.00 0.00 H ATOM 1915 H GLU B 21 7.697 24.002 -10.654 1.00 0.00 H ATOM 1916 N ALA B 22 10.651 25.680 -8.347 1.00 21.04 N ATOM 1917 CA ALA B 22 11.378 25.173 -7.194 1.00 20.53 C ATOM 1918 C ALA B 22 11.861 26.322 -6.318 1.00 20.33 C ATOM 1919 O ALA B 22 12.141 27.414 -6.807 1.00 22.56 O ATOM 1920 CB ALA B 22 12.551 24.307 -7.642 1.00 20.43 C ATOM 1921 HA ALA B 22 10.701 24.555 -6.604 1.00 0.00 H ATOM 1922 HB1 ALA B 22 12.178 23.465 -8.225 1.00 0.00 H ATOM 1923 HB2 ALA B 22 13.228 24.903 -8.255 1.00 0.00 H ATOM 1924 HB3 ALA B 22 13.083 23.937 -6.766 1.00 0.00 H ATOM 1925 H ALA B 22 10.998 26.529 -8.838 1.00 0.00 H ATOM 1926 N LEU B 23 11.943 26.060 -5.020 1.00 17.58 N ATOM 1927 CA LEU B 23 12.370 27.026 -4.025 1.00 17.28 C ATOM 1928 C LEU B 23 13.884 26.953 -3.758 1.00 17.96 C ATOM 1929 O LEU B 23 14.397 25.877 -3.439 1.00 18.51 O ATOM 1930 CB LEU B 23 11.601 26.729 -2.734 1.00 17.27 C ATOM 1931 CG LEU B 23 11.676 27.617 -1.496 1.00 18.05 C ATOM 1932 CD1 LEU B 23 11.026 28.952 -1.784 1.00 19.66 C ATOM 1933 CD2 LEU B 23 10.955 26.923 -0.353 1.00 17.63 C ATOM 1934 HA LEU B 23 12.162 28.031 -4.391 1.00 0.00 H ATOM 1935 HB2 LEU B 23 10.548 26.693 -3.014 1.00 0.00 H ATOM 1936 HB3 LEU B 23 11.925 25.739 -2.413 1.00 0.00 H ATOM 1937 HG LEU B 23 12.717 27.788 -1.223 1.00 0.00 H ATOM 1938 HD21 LEU B 23 9.913 26.759 -0.629 1.00 0.00 H ATOM 1939 HD22 LEU B 23 11.434 25.965 -0.151 1.00 0.00 H ATOM 1940 HD23 LEU B 23 11.002 27.549 0.538 1.00 0.00 H ATOM 1941 HD11 LEU B 23 11.547 29.438 -2.609 1.00 0.00 H ATOM 1942 HD12 LEU B 23 9.982 28.795 -2.054 1.00 0.00 H ATOM 1943 HD13 LEU B 23 11.083 29.581 -0.896 1.00 0.00 H ATOM 1944 H LEU B 23 11.686 25.106 -4.696 1.00 0.00 H ATOM 1945 N LEU B 24 14.602 28.070 -3.918 1.00 16.50 N ATOM 1946 CA LEU B 24 16.042 28.097 -3.637 1.00 16.53 C ATOM 1947 C LEU B 24 16.137 28.069 -2.116 1.00 16.89 C ATOM 1948 O LEU B 24 15.895 29.077 -1.448 1.00 17.78 O ATOM 1949 CB LEU B 24 16.694 29.360 -4.209 1.00 16.69 C ATOM 1950 CG LEU B 24 16.540 29.539 -5.722 1.00 15.94 C ATOM 1951 CD1 LEU B 24 17.344 30.732 -6.193 1.00 16.64 C ATOM 1952 CD2 LEU B 24 16.997 28.293 -6.454 1.00 15.98 C ATOM 1953 HA LEU B 24 16.567 27.260 -4.097 1.00 0.00 H ATOM 1954 HB2 LEU B 24 16.246 30.224 -3.719 1.00 0.00 H ATOM 1955 HB3 LEU B 24 17.759 29.325 -3.979 1.00 0.00 H ATOM 1956 HG LEU B 24 15.486 29.709 -5.941 1.00 0.00 H ATOM 1957 HD21 LEU B 24 18.045 28.102 -6.225 1.00 0.00 H ATOM 1958 HD22 LEU B 24 16.393 27.443 -6.134 1.00 0.00 H ATOM 1959 HD23 LEU B 24 16.880 28.440 -7.528 1.00 0.00 H ATOM 1960 HD11 LEU B 24 16.988 31.630 -5.689 1.00 0.00 H ATOM 1961 HD12 LEU B 24 18.397 30.575 -5.957 1.00 0.00 H ATOM 1962 HD13 LEU B 24 17.225 30.847 -7.270 1.00 0.00 H ATOM 1963 H LEU B 24 14.131 28.936 -4.248 1.00 0.00 H ATOM 1964 N ASP B 25 16.520 26.914 -1.580 1.00 15.96 N ATOM 1965 CA ASP B 25 16.551 26.690 -0.139 1.00 15.88 C ATOM 1966 C ASP B 25 17.939 26.512 0.481 1.00 17.28 C ATOM 1967 O ASP B 25 18.523 25.444 0.376 1.00 18.47 O ATOM 1968 CB ASP B 25 15.685 25.440 0.112 1.00 11.88 C ATOM 1969 CG ASP B 25 15.325 25.224 1.561 1.00 14.53 C ATOM 1970 OD1 ASP B 25 15.806 25.931 2.467 1.00 16.12 O ATOM 1971 OD2 ASP B 25 14.535 24.296 1.789 1.00 21.36 O ATOM 1972 HA ASP B 25 16.175 27.589 0.349 1.00 0.00 H ATOM 1973 HB2 ASP B 25 14.762 25.542 -0.459 1.00 0.00 H ATOM 1974 HB3 ASP B 25 16.234 24.566 -0.239 1.00 0.00 H ATOM 1975 H ASP B 25 16.809 26.141 -2.213 1.00 0.00 H ATOM 1976 N THR B 26 18.434 27.520 1.193 1.00 16.34 N ATOM 1977 CA THR B 26 19.746 27.395 1.822 1.00 17.11 C ATOM 1978 C THR B 26 19.648 26.549 3.086 1.00 17.09 C ATOM 1979 O THR B 26 20.656 26.125 3.649 1.00 19.23 O ATOM 1980 CB THR B 26 20.365 28.766 2.172 1.00 18.08 C ATOM 1981 OG1 THR B 26 19.571 29.418 3.168 1.00 18.28 O ATOM 1982 CG2 THR B 26 20.447 29.653 0.934 1.00 17.58 C ATOM 1983 HA THR B 26 20.398 26.909 1.096 1.00 0.00 H ATOM 1984 HB THR B 26 21.372 28.599 2.554 1.00 0.00 H ATOM 1985 HG1 THR B 26 19.538 28.856 3.982 1.00 0.00 H ATOM 1986 HG23 THR B 26 21.051 29.158 0.174 1.00 0.00 H ATOM 1987 HG21 THR B 26 19.443 29.827 0.546 1.00 0.00 H ATOM 1988 HG22 THR B 26 20.905 30.606 1.201 1.00 0.00 H ATOM 1989 H THR B 26 17.887 28.398 1.302 1.00 0.00 H ATOM 1990 N GLY B 27 18.423 26.314 3.538 1.00 14.72 N ATOM 1991 CA GLY B 27 18.223 25.516 4.728 1.00 12.34 C ATOM 1992 C GLY B 27 18.212 24.035 4.399 1.00 14.82 C ATOM 1993 O GLY B 27 18.071 23.198 5.287 1.00 18.24 O ATOM 1994 HA3 GLY B 27 17.270 25.787 5.182 1.00 0.00 H ATOM 1995 HA2 GLY B 27 19.030 25.718 5.432 1.00 0.00 H ATOM 1996 H GLY B 27 17.602 26.706 3.034 1.00 0.00 H ATOM 1997 N ALA B 28 18.375 23.709 3.127 1.00 15.10 N ATOM 1998 CA ALA B 28 18.364 22.322 2.675 1.00 15.42 C ATOM 1999 C ALA B 28 19.720 21.779 2.225 1.00 16.14 C ATOM 2000 O ALA B 28 20.377 22.376 1.376 1.00 17.21 O ATOM 2001 CB ALA B 28 17.359 22.172 1.532 1.00 15.30 C ATOM 2002 HA ALA B 28 18.081 21.730 3.546 1.00 0.00 H ATOM 2003 HB1 ALA B 28 16.366 22.450 1.884 1.00 0.00 H ATOM 2004 HB2 ALA B 28 17.649 22.823 0.707 1.00 0.00 H ATOM 2005 HB3 ALA B 28 17.349 21.136 1.192 1.00 0.00 H ATOM 2006 H ALA B 28 18.515 24.466 2.427 1.00 0.00 H ATOM 2007 N ASP B 29 20.143 20.655 2.802 1.00 16.57 N ATOM 2008 CA ASP B 29 21.396 20.014 2.396 1.00 16.84 C ATOM 2009 C ASP B 29 21.259 19.500 0.969 1.00 16.53 C ATOM 2010 O ASP B 29 22.153 19.687 0.142 1.00 16.95 O ATOM 2011 CB ASP B 29 21.704 18.786 3.261 1.00 19.56 C ATOM 2012 CG ASP B 29 21.964 19.121 4.716 1.00 26.10 C ATOM 2013 OD1 ASP B 29 22.212 20.300 5.049 1.00 28.27 O ATOM 2014 OD2 ASP B 29 21.930 18.173 5.532 1.00 25.02 O ATOM 2015 HA ASP B 29 22.186 20.758 2.498 1.00 0.00 H ATOM 2016 HB2 ASP B 29 20.854 18.106 3.210 1.00 0.00 H ATOM 2017 HB3 ASP B 29 22.588 18.292 2.857 1.00 0.00 H ATOM 2018 H ASP B 29 19.572 20.224 3.556 1.00 0.00 H ATOM 2019 N ASP B 30 20.123 18.861 0.689 1.00 17.10 N ATOM 2020 CA ASP B 30 19.857 18.249 -0.617 1.00 16.85 C ATOM 2021 C ASP B 30 18.706 18.837 -1.436 1.00 15.24 C ATOM 2022 O ASP B 30 17.894 19.612 -0.926 1.00 16.62 O ATOM 2023 CB ASP B 30 19.577 16.756 -0.413 1.00 22.91 C ATOM 2024 CG ASP B 30 20.426 16.142 0.689 1.00 27.53 C ATOM 2025 OD1 ASP B 30 21.664 16.161 0.558 1.00 28.56 O ATOM 2026 OD2 ASP B 30 19.852 15.661 1.692 1.00 28.18 O ATOM 2027 HA ASP B 30 20.755 18.455 -1.199 1.00 0.00 H ATOM 2028 HB2 ASP B 30 18.526 16.631 -0.154 1.00 0.00 H ATOM 2029 HB3 ASP B 30 19.785 16.232 -1.346 1.00 0.00 H ATOM 2030 H ASP B 30 19.394 18.794 1.428 1.00 0.00 H ATOM 2031 N THR B 31 18.655 18.447 -2.711 1.00 15.13 N ATOM 2032 CA THR B 31 17.617 18.870 -3.654 1.00 15.99 C ATOM 2033 C THR B 31 16.534 17.788 -3.700 1.00 20.57 C ATOM 2034 O THR B 31 16.807 16.637 -4.047 1.00 20.54 O ATOM 2035 CB THR B 31 18.215 19.098 -5.066 1.00 16.00 C ATOM 2036 OG1 THR B 31 19.138 20.193 -5.010 1.00 20.89 O ATOM 2037 CG2 THR B 31 17.130 19.405 -6.106 1.00 14.78 C ATOM 2038 HA THR B 31 17.186 19.815 -3.323 1.00 0.00 H ATOM 2039 HB THR B 31 18.719 18.181 -5.371 1.00 0.00 H ATOM 2040 HG1 THR B 31 19.863 19.980 -4.370 1.00 0.00 H ATOM 2041 HG23 THR B 31 16.426 18.574 -6.151 1.00 0.00 H ATOM 2042 HG21 THR B 31 16.602 20.315 -5.821 1.00 0.00 H ATOM 2043 HG22 THR B 31 17.594 19.544 -7.083 1.00 0.00 H ATOM 2044 H THR B 31 19.396 17.804 -3.056 1.00 0.00 H ATOM 2045 N VAL B 32 15.320 18.149 -3.301 1.00 20.77 N ATOM 2046 CA VAL B 32 14.202 17.214 -3.273 1.00 20.98 C ATOM 2047 C VAL B 32 13.107 17.691 -4.232 1.00 20.93 C ATOM 2048 O VAL B 32 12.668 18.842 -4.171 1.00 17.69 O ATOM 2049 CB VAL B 32 13.620 17.083 -1.836 1.00 21.03 C ATOM 2050 CG1 VAL B 32 12.652 15.916 -1.758 1.00 20.87 C ATOM 2051 CG2 VAL B 32 14.739 16.917 -0.819 1.00 20.93 C ATOM 2052 HA VAL B 32 14.565 16.235 -3.587 1.00 0.00 H ATOM 2053 HB VAL B 32 13.076 17.998 -1.601 1.00 0.00 H ATOM 2054 HG11 VAL B 32 11.833 16.078 -2.459 1.00 0.00 H ATOM 2055 HG12 VAL B 32 13.175 14.994 -2.014 1.00 0.00 H ATOM 2056 HG13 VAL B 32 12.256 15.841 -0.745 1.00 0.00 H ATOM 2057 HG21 VAL B 32 15.310 16.019 -1.053 1.00 0.00 H ATOM 2058 HG22 VAL B 32 15.395 17.787 -0.857 1.00 0.00 H ATOM 2059 HG23 VAL B 32 14.311 16.827 0.179 1.00 0.00 H ATOM 2060 H VAL B 32 15.162 19.131 -2.998 1.00 0.00 H ATOM 2061 N ILE B 33 12.690 16.800 -5.121 1.00 23.77 N ATOM 2062 CA ILE B 33 11.662 17.077 -6.121 1.00 25.36 C ATOM 2063 C ILE B 33 10.437 16.185 -5.875 1.00 28.33 C ATOM 2064 O ILE B 33 10.564 15.068 -5.350 1.00 27.89 O ATOM 2065 CB ILE B 33 12.213 16.806 -7.544 1.00 23.02 C ATOM 2066 CG1 ILE B 33 13.443 17.677 -7.801 1.00 23.95 C ATOM 2067 CG2 ILE B 33 11.171 17.111 -8.597 1.00 24.05 C ATOM 2068 CD1 ILE B 33 13.158 19.154 -7.786 1.00 19.59 C ATOM 2069 HA ILE B 33 11.372 18.125 -6.040 1.00 0.00 H ATOM 2070 HB ILE B 33 12.481 15.751 -7.604 1.00 0.00 H ATOM 2071 HG12 ILE B 33 14.183 17.462 -7.030 1.00 0.00 H ATOM 2072 HG13 ILE B 33 13.851 17.416 -8.777 1.00 0.00 H ATOM 2073 HD11 ILE B 33 12.428 19.390 -8.560 1.00 0.00 H ATOM 2074 HD12 ILE B 33 12.760 19.436 -6.811 1.00 0.00 H ATOM 2075 HD13 ILE B 33 14.080 19.703 -7.976 1.00 0.00 H ATOM 2076 HG21 ILE B 33 10.297 16.481 -8.435 1.00 0.00 H ATOM 2077 HG22 ILE B 33 10.882 18.160 -8.528 1.00 0.00 H ATOM 2078 HG23 ILE B 33 11.586 16.912 -9.585 1.00 0.00 H ATOM 2079 H ILE B 33 13.118 15.852 -5.105 1.00 0.00 H ATOM 2080 N GLU B 34 9.256 16.681 -6.245 1.00 29.79 N ATOM 2081 CA GLU B 34 8.016 15.933 -6.077 1.00 28.90 C ATOM 2082 C GLU B 34 8.029 14.741 -7.012 1.00 28.73 C ATOM 2083 O GLU B 34 8.729 14.743 -8.025 1.00 27.39 O ATOM 2084 CB GLU B 34 6.813 16.821 -6.387 1.00 27.92 C ATOM 2085 CG GLU B 34 6.565 17.890 -5.336 1.00 30.50 C ATOM 2086 CD GLU B 34 5.804 19.087 -5.872 1.00 37.40 C ATOM 2087 OE1 GLU B 34 5.289 19.029 -7.014 1.00 35.17 O ATOM 2088 OE2 GLU B 34 5.732 20.098 -5.145 1.00 43.07 O ATOM 2089 HA GLU B 34 7.937 15.593 -5.044 1.00 0.00 H ATOM 2090 HB2 GLU B 34 6.983 17.311 -7.346 1.00 0.00 H ATOM 2091 HB3 GLU B 34 5.926 16.191 -6.455 1.00 0.00 H ATOM 2092 HG2 GLU B 34 5.990 17.449 -4.522 1.00 0.00 H ATOM 2093 HG3 GLU B 34 7.527 18.233 -4.956 1.00 0.00 H ATOM 2094 H GLU B 34 9.218 17.631 -6.667 1.00 0.00 H ATOM 2095 N GLU B 35 7.219 13.745 -6.686 1.00 29.53 N ATOM 2096 CA GLU B 35 7.129 12.527 -7.470 1.00 29.22 C ATOM 2097 C GLU B 35 7.072 12.736 -8.985 1.00 29.46 C ATOM 2098 O GLU B 35 6.166 13.401 -9.498 1.00 32.28 O ATOM 2099 CB GLU B 35 5.917 11.723 -7.004 1.00 31.68 C ATOM 2100 CG GLU B 35 5.724 10.411 -7.734 1.00 48.20 C ATOM 2101 CD GLU B 35 6.898 9.470 -7.557 1.00 62.01 C ATOM 2102 OE1 GLU B 35 7.381 9.328 -6.411 1.00 64.55 O ATOM 2103 OE2 GLU B 35 7.333 8.874 -8.566 1.00 64.85 O ATOM 2104 HA GLU B 35 8.058 11.984 -7.295 1.00 0.00 H ATOM 2105 HB2 GLU B 35 6.036 11.509 -5.942 1.00 0.00 H ATOM 2106 HB3 GLU B 35 5.025 12.332 -7.153 1.00 0.00 H ATOM 2107 HG2 GLU B 35 4.826 9.926 -7.351 1.00 0.00 H ATOM 2108 HG3 GLU B 35 5.598 10.617 -8.797 1.00 0.00 H ATOM 2109 H GLU B 35 6.626 13.839 -5.837 1.00 0.00 H ATOM 2110 N MET B 36 8.043 12.160 -9.689 1.00 27.41 N ATOM 2111 CA MET B 36 8.127 12.231 -11.152 1.00 27.94 C ATOM 2112 C MET B 36 9.009 11.069 -11.640 1.00 27.94 C ATOM 2113 O MET B 36 9.568 10.331 -10.833 1.00 26.15 O ATOM 2114 CB MET B 36 8.751 13.552 -11.597 1.00 28.47 C ATOM 2115 CG MET B 36 10.215 13.671 -11.220 1.00 29.57 C ATOM 2116 SD MET B 36 11.045 15.084 -11.936 1.00 30.28 S ATOM 2117 CE MET B 36 11.012 14.674 -13.678 1.00 29.56 C ATOM 2118 HA MET B 36 7.124 12.165 -11.573 1.00 0.00 H ATOM 2119 HB2 MET B 36 8.663 13.631 -12.681 1.00 0.00 H ATOM 2120 HB3 MET B 36 8.204 14.370 -11.129 1.00 0.00 H ATOM 2121 HG2 MET B 36 10.728 12.769 -11.552 1.00 0.00 H ATOM 2122 HG3 MET B 36 10.284 13.748 -10.135 1.00 0.00 H ATOM 2123 HE1 MET B 36 11.542 13.735 -13.839 1.00 0.00 H ATOM 2124 HE2 MET B 36 9.978 14.570 -14.006 1.00 0.00 H ATOM 2125 HE3 MET B 36 11.496 15.468 -14.246 1.00 0.00 H ATOM 2126 H MET B 36 8.779 11.633 -9.177 1.00 0.00 H ATOM 2127 N SER B 37 9.197 10.937 -12.961 1.00 29.59 N ATOM 2128 CA SER B 37 9.974 9.811 -13.490 1.00 32.30 C ATOM 2129 C SER B 37 11.357 10.329 -13.867 1.00 31.26 C ATOM 2130 O SER B 37 11.539 11.233 -14.678 1.00 31.48 O ATOM 2131 CB SER B 37 9.279 9.230 -14.724 1.00 43.45 C ATOM 2132 OG SER B 37 10.147 8.325 -15.390 1.00 46.83 O ATOM 2133 HA SER B 37 10.057 9.024 -12.741 1.00 0.00 H ATOM 2134 HB2 SER B 37 9.012 10.040 -15.403 1.00 0.00 H ATOM 2135 HB3 SER B 37 8.376 8.703 -14.415 1.00 0.00 H ATOM 2136 HG SER B 37 9.689 7.955 -16.186 1.00 0.00 H ATOM 2137 H SER B 37 8.790 11.637 -13.614 1.00 0.00 H ATOM 2138 N LEU B 38 12.384 9.641 -13.318 1.00 30.16 N ATOM 2139 CA LEU B 38 13.779 9.945 -13.629 1.00 29.72 C ATOM 2140 C LEU B 38 14.491 8.661 -14.075 1.00 30.39 C ATOM 2141 O LEU B 38 14.210 7.577 -13.564 1.00 29.45 O ATOM 2142 CB LEU B 38 14.488 10.570 -12.418 1.00 28.01 C ATOM 2143 CG LEU B 38 14.086 11.989 -11.990 1.00 23.75 C ATOM 2144 CD1 LEU B 38 14.897 12.419 -10.782 1.00 21.56 C ATOM 2145 CD2 LEU B 38 14.310 12.957 -13.129 1.00 23.01 C ATOM 2146 HA LEU B 38 13.812 10.673 -14.440 1.00 0.00 H ATOM 2147 HB2 LEU B 38 14.311 9.914 -11.566 1.00 0.00 H ATOM 2148 HB3 LEU B 38 15.554 10.591 -12.644 1.00 0.00 H ATOM 2149 HG LEU B 38 13.029 11.989 -11.726 1.00 0.00 H ATOM 2150 HD21 LEU B 38 15.364 12.951 -13.407 1.00 0.00 H ATOM 2151 HD22 LEU B 38 13.706 12.656 -13.984 1.00 0.00 H ATOM 2152 HD23 LEU B 38 14.022 13.960 -12.814 1.00 0.00 H ATOM 2153 HD11 LEU B 38 14.712 11.730 -9.958 1.00 0.00 H ATOM 2154 HD12 LEU B 38 15.957 12.408 -11.035 1.00 0.00 H ATOM 2155 HD13 LEU B 38 14.603 13.427 -10.488 1.00 0.00 H ATOM 2156 H LEU B 38 12.174 8.870 -12.652 1.00 0.00 H ATOM 2157 N PRO B 39 15.379 8.763 -15.078 1.00 31.70 N ATOM 2158 CA PRO B 39 16.132 7.619 -15.606 1.00 32.37 C ATOM 2159 C PRO B 39 17.218 7.097 -14.661 1.00 31.78 C ATOM 2160 O PRO B 39 17.665 7.805 -13.753 1.00 31.54 O ATOM 2161 CB PRO B 39 16.737 8.188 -16.889 1.00 33.06 C ATOM 2162 CG PRO B 39 16.966 9.623 -16.536 1.00 33.05 C ATOM 2163 CD PRO B 39 15.667 9.977 -15.859 1.00 32.69 C ATOM 2164 HA PRO B 39 15.495 6.747 -15.754 1.00 0.00 H ATOM 2165 HD3 PRO B 39 15.783 10.845 -15.211 1.00 0.00 H ATOM 2166 HD2 PRO B 39 14.882 10.173 -16.589 1.00 0.00 H ATOM 2167 HG3 PRO B 39 17.130 10.231 -17.426 1.00 0.00 H ATOM 2168 HG2 PRO B 39 17.812 9.737 -15.859 1.00 0.00 H ATOM 2169 HB2 PRO B 39 17.674 7.689 -17.137 1.00 0.00 H ATOM 2170 HB3 PRO B 39 16.045 8.094 -17.726 1.00 0.00 H ATOM 2171 N GLY B 40 17.639 5.853 -14.878 1.00 30.02 N ATOM 2172 CA GLY B 40 18.678 5.269 -14.050 1.00 26.86 C ATOM 2173 C GLY B 40 18.201 4.585 -12.785 1.00 25.44 C ATOM 2174 O GLY B 40 17.006 4.542 -12.486 1.00 26.23 O ATOM 2175 HA3 GLY B 40 19.365 6.065 -13.762 1.00 0.00 H ATOM 2176 HA2 GLY B 40 19.210 4.531 -14.650 1.00 0.00 H ATOM 2177 H GLY B 40 17.219 5.294 -15.648 1.00 0.00 H ATOM 2178 N ARG B 41 19.148 3.997 -12.065 1.00 23.57 N ATOM 2179 CA ARG B 41 18.858 3.300 -10.823 1.00 22.51 C ATOM 2180 C ARG B 41 18.802 4.312 -9.704 1.00 23.41 C ATOM 2181 O ARG B 41 19.267 5.439 -9.864 1.00 26.34 O ATOM 2182 CB ARG B 41 19.943 2.255 -10.536 1.00 20.60 C ATOM 2183 CG ARG B 41 19.987 1.124 -11.569 1.00 17.61 C ATOM 2184 CD ARG B 41 20.997 0.047 -11.205 1.00 22.37 C ATOM 2185 NE ARG B 41 20.755 -0.535 -9.884 1.00 23.31 N ATOM 2186 CZ ARG B 41 19.818 -1.447 -9.615 1.00 21.42 C ATOM 2187 NH1 ARG B 41 19.017 -1.905 -10.569 1.00 15.74 N ATOM 2188 NH2 ARG B 41 19.684 -1.903 -8.379 1.00 16.43 N ATOM 2189 HA ARG B 41 17.901 2.785 -10.904 1.00 0.00 H ATOM 2190 HB2 ARG B 41 20.912 2.755 -10.529 1.00 0.00 H ATOM 2191 HB3 ARG B 41 19.753 1.820 -9.555 1.00 0.00 H ATOM 2192 HG2 ARG B 41 18.998 0.670 -11.634 1.00 0.00 H ATOM 2193 HG3 ARG B 41 20.257 1.544 -12.538 1.00 0.00 H ATOM 2194 HD2 ARG B 41 21.994 0.487 -11.215 1.00 0.00 H ATOM 2195 HD3 ARG B 41 20.944 -0.747 -11.950 1.00 0.00 H ATOM 2196 HE ARG B 41 21.356 -0.215 -9.098 1.00 0.00 H ATOM 2197 HH12 ARG B 41 18.292 -2.616 -10.343 1.00 0.00 H ATOM 2198 HH11 ARG B 41 19.114 -1.553 -11.543 1.00 0.00 H ATOM 2199 HH22 ARG B 41 18.956 -2.614 -8.163 1.00 0.00 H ATOM 2200 HH21 ARG B 41 20.307 -1.551 -7.624 1.00 0.00 H ATOM 2201 H ARG B 41 20.131 4.036 -12.401 1.00 0.00 H ATOM 2202 N TRP B 42 18.221 3.922 -8.575 1.00 19.80 N ATOM 2203 CA TRP B 42 18.132 4.808 -7.434 1.00 17.66 C ATOM 2204 C TRP B 42 18.490 4.038 -6.180 1.00 19.43 C ATOM 2205 O TRP B 42 18.482 2.811 -6.180 1.00 22.62 O ATOM 2206 CB TRP B 42 16.739 5.444 -7.328 1.00 16.24 C ATOM 2207 CG TRP B 42 15.572 4.490 -7.167 1.00 14.59 C ATOM 2208 CD1 TRP B 42 14.841 3.912 -8.172 1.00 13.93 C ATOM 2209 CD2 TRP B 42 14.967 4.075 -5.945 1.00 12.94 C ATOM 2210 NE1 TRP B 42 13.814 3.176 -7.635 1.00 13.23 N ATOM 2211 CE2 TRP B 42 13.864 3.257 -6.273 1.00 12.23 C ATOM 2212 CE3 TRP B 42 15.243 4.326 -4.589 1.00 12.38 C ATOM 2213 CZ2 TRP B 42 13.042 2.681 -5.301 1.00 12.32 C ATOM 2214 CZ3 TRP B 42 14.425 3.751 -3.623 1.00 13.06 C ATOM 2215 CH2 TRP B 42 13.331 2.938 -3.986 1.00 12.67 C ATOM 2216 HA TRP B 42 18.839 5.628 -7.560 1.00 0.00 H ATOM 2217 HB2 TRP B 42 16.744 6.111 -6.466 1.00 0.00 H ATOM 2218 HB3 TRP B 42 16.570 6.025 -8.235 1.00 0.00 H ATOM 2219 HE1 TRP B 42 13.108 2.641 -8.180 1.00 0.00 H ATOM 2220 HD1 TRP B 42 15.044 4.020 -9.237 1.00 0.00 H ATOM 2221 HZ2 TRP B 42 12.199 2.048 -5.579 1.00 0.00 H ATOM 2222 HH2 TRP B 42 12.704 2.506 -3.206 1.00 0.00 H ATOM 2223 HZ3 TRP B 42 14.632 3.931 -2.568 1.00 0.00 H ATOM 2224 HE3 TRP B 42 16.082 4.959 -4.301 1.00 0.00 H ATOM 2225 H TRP B 42 17.823 2.963 -8.510 1.00 0.00 H ATOM 2226 N LYS B 43 18.878 4.761 -5.140 1.00 19.58 N ATOM 2227 CA LYS B 43 19.255 4.173 -3.865 1.00 20.54 C ATOM 2228 C LYS B 43 18.311 4.760 -2.819 1.00 21.37 C ATOM 2229 O LYS B 43 17.693 5.802 -3.060 1.00 20.58 O ATOM 2230 CB LYS B 43 20.710 4.545 -3.521 1.00 22.17 C ATOM 2231 CG LYS B 43 21.725 4.125 -4.573 1.00 38.34 C ATOM 2232 CD LYS B 43 23.150 4.542 -4.216 1.00 53.43 C ATOM 2233 CE LYS B 43 23.354 6.041 -4.344 1.00 60.64 C ATOM 2234 NZ LYS B 43 24.788 6.425 -4.179 1.00 66.60 N ATOM 2235 HA LYS B 43 19.185 3.086 -3.898 1.00 0.00 H ATOM 2236 HB2 LYS B 43 20.768 5.627 -3.402 1.00 0.00 H ATOM 2237 HB3 LYS B 43 20.973 4.063 -2.580 1.00 0.00 H ATOM 2238 HG2 LYS B 43 21.694 3.040 -4.675 1.00 0.00 H ATOM 2239 HG3 LYS B 43 21.454 4.586 -5.523 1.00 0.00 H ATOM 2240 HD2 LYS B 43 23.356 4.245 -3.188 1.00 0.00 H ATOM 2241 HD3 LYS B 43 23.844 4.034 -4.886 1.00 0.00 H ATOM 2242 HE2 LYS B 43 22.764 6.544 -3.578 1.00 0.00 H ATOM 2243 HE3 LYS B 43 23.015 6.360 -5.330 1.00 0.00 H ATOM 2244 HZ1 LYS B 43 25.118 6.130 -3.238 1.00 0.00 H ATOM 2245 HZ2 LYS B 43 25.358 5.955 -4.911 1.00 0.00 H ATOM 2246 HZ3 LYS B 43 24.883 7.456 -4.274 1.00 0.00 H ATOM 2247 H LYS B 43 18.915 5.796 -5.240 1.00 0.00 H ATOM 2248 N PRO B 44 18.139 4.073 -1.676 1.00 22.61 N ATOM 2249 CA PRO B 44 17.255 4.559 -0.611 1.00 23.22 C ATOM 2250 C PRO B 44 17.920 5.701 0.163 1.00 24.11 C ATOM 2251 O PRO B 44 19.149 5.758 0.266 1.00 24.41 O ATOM 2252 CB PRO B 44 17.056 3.317 0.258 1.00 22.32 C ATOM 2253 CG PRO B 44 18.384 2.606 0.128 1.00 21.23 C ATOM 2254 CD PRO B 44 18.682 2.738 -1.348 1.00 21.36 C ATOM 2255 HA PRO B 44 16.313 4.972 -0.972 1.00 0.00 H ATOM 2256 HD3 PRO B 44 19.754 2.693 -1.538 1.00 0.00 H ATOM 2257 HD2 PRO B 44 18.180 1.958 -1.921 1.00 0.00 H ATOM 2258 HG3 PRO B 44 18.301 1.560 0.422 1.00 0.00 H ATOM 2259 HG2 PRO B 44 19.152 3.092 0.730 1.00 0.00 H ATOM 2260 HB2 PRO B 44 16.855 3.590 1.294 1.00 0.00 H ATOM 2261 HB3 PRO B 44 16.240 2.700 -0.119 1.00 0.00 H ATOM 2262 N LYS B 45 17.107 6.595 0.715 1.00 24.31 N ATOM 2263 CA LYS B 45 17.611 7.737 1.465 1.00 25.15 C ATOM 2264 C LYS B 45 16.501 8.271 2.365 1.00 27.20 C ATOM 2265 O LYS B 45 15.338 8.326 1.974 1.00 27.59 O ATOM 2266 CB LYS B 45 18.068 8.821 0.487 1.00 24.91 C ATOM 2267 CG LYS B 45 18.438 10.152 1.096 1.00 28.44 C ATOM 2268 CD LYS B 45 19.798 10.119 1.724 1.00 32.82 C ATOM 2269 CE LYS B 45 20.480 11.460 1.548 1.00 36.01 C ATOM 2270 NZ LYS B 45 21.916 11.340 1.906 1.00 47.24 N ATOM 2271 HA LYS B 45 18.458 7.437 2.082 1.00 0.00 H ATOM 2272 HB2 LYS B 45 18.941 8.443 -0.045 1.00 0.00 H ATOM 2273 HB3 LYS B 45 17.258 8.993 -0.222 1.00 0.00 H ATOM 2274 HG2 LYS B 45 18.428 10.912 0.315 1.00 0.00 H ATOM 2275 HG3 LYS B 45 17.703 10.407 1.859 1.00 0.00 H ATOM 2276 HD2 LYS B 45 19.700 9.900 2.787 1.00 0.00 H ATOM 2277 HD3 LYS B 45 20.398 9.343 1.248 1.00 0.00 H ATOM 2278 HE2 LYS B 45 20.005 12.197 2.196 1.00 0.00 H ATOM 2279 HE3 LYS B 45 20.390 11.779 0.510 1.00 0.00 H ATOM 2280 HZ1 LYS B 45 22.001 11.036 2.897 1.00 0.00 H ATOM 2281 HZ2 LYS B 45 22.369 10.638 1.287 1.00 0.00 H ATOM 2282 HZ3 LYS B 45 22.381 12.262 1.784 1.00 0.00 H ATOM 2283 H LYS B 45 16.079 6.476 0.608 1.00 0.00 H ATOM 2284 N MET B 46 16.866 8.633 3.583 1.00 29.98 N ATOM 2285 CA MET B 46 15.917 9.161 4.542 1.00 32.65 C ATOM 2286 C MET B 46 16.350 10.594 4.793 1.00 30.87 C ATOM 2287 O MET B 46 17.537 10.848 4.991 1.00 29.21 O ATOM 2288 CB MET B 46 16.021 8.371 5.844 1.00 35.93 C ATOM 2289 CG MET B 46 14.966 8.705 6.872 1.00 40.16 C ATOM 2290 SD MET B 46 13.728 7.410 6.918 1.00 44.28 S ATOM 2291 CE MET B 46 14.207 6.557 8.437 1.00 44.47 C ATOM 2292 HA MET B 46 14.891 9.098 4.179 1.00 0.00 H ATOM 2293 HB2 MET B 46 15.939 7.311 5.605 1.00 0.00 H ATOM 2294 HB3 MET B 46 16.998 8.569 6.284 1.00 0.00 H ATOM 2295 HG2 MET B 46 14.491 9.650 6.609 1.00 0.00 H ATOM 2296 HG3 MET B 46 15.432 8.795 7.853 1.00 0.00 H ATOM 2297 HE1 MET B 46 15.228 6.188 8.338 1.00 0.00 H ATOM 2298 HE2 MET B 46 14.150 7.251 9.275 1.00 0.00 H ATOM 2299 HE3 MET B 46 13.531 5.719 8.610 1.00 0.00 H ATOM 2300 H MET B 46 17.863 8.536 3.861 1.00 0.00 H ATOM 2301 N ILE B 47 15.412 11.535 4.742 1.00 28.61 N ATOM 2302 CA ILE B 47 15.742 12.932 4.992 1.00 25.62 C ATOM 2303 C ILE B 47 14.832 13.491 6.077 1.00 24.25 C ATOM 2304 O ILE B 47 13.681 13.068 6.207 1.00 23.14 O ATOM 2305 CB ILE B 47 15.672 13.795 3.703 1.00 23.66 C ATOM 2306 CG1 ILE B 47 14.260 13.803 3.118 1.00 25.32 C ATOM 2307 CG2 ILE B 47 16.678 13.283 2.686 1.00 20.81 C ATOM 2308 CD1 ILE B 47 14.131 14.632 1.853 1.00 20.71 C ATOM 2309 HA ILE B 47 16.776 12.975 5.336 1.00 0.00 H ATOM 2310 HB ILE B 47 15.923 14.824 3.960 1.00 0.00 H ATOM 2311 HG12 ILE B 47 13.976 12.776 2.888 1.00 0.00 H ATOM 2312 HG13 ILE B 47 13.579 14.208 3.867 1.00 0.00 H ATOM 2313 HD11 ILE B 47 14.401 15.666 2.069 1.00 0.00 H ATOM 2314 HD12 ILE B 47 14.798 14.233 1.089 1.00 0.00 H ATOM 2315 HD13 ILE B 47 13.102 14.590 1.496 1.00 0.00 H ATOM 2316 HG21 ILE B 47 17.682 13.344 3.107 1.00 0.00 H ATOM 2317 HG22 ILE B 47 16.448 12.246 2.440 1.00 0.00 H ATOM 2318 HG23 ILE B 47 16.624 13.893 1.784 1.00 0.00 H ATOM 2319 H ILE B 47 14.431 11.271 4.521 1.00 0.00 H ATOM 2320 N GLY B 48 15.379 14.381 6.899 1.00 23.05 N ATOM 2321 CA GLY B 48 14.608 14.977 7.972 1.00 24.04 C ATOM 2322 C GLY B 48 14.217 16.401 7.645 1.00 26.45 C ATOM 2323 O GLY B 48 14.936 17.093 6.933 1.00 26.04 O ATOM 2324 HA3 GLY B 48 15.206 14.973 8.883 1.00 0.00 H ATOM 2325 HA2 GLY B 48 13.704 14.388 8.130 1.00 0.00 H ATOM 2326 H GLY B 48 16.374 14.654 6.770 1.00 0.00 H ATOM 2327 N GLY B 49 13.064 16.827 8.152 1.00 28.15 N ATOM 2328 CA GLY B 49 12.579 18.174 7.918 1.00 25.29 C ATOM 2329 C GLY B 49 11.950 18.706 9.189 1.00 24.61 C ATOM 2330 O GLY B 49 12.122 18.128 10.262 1.00 24.06 O ATOM 2331 HA3 GLY B 49 11.835 18.161 7.121 1.00 0.00 H ATOM 2332 HA2 GLY B 49 13.411 18.816 7.626 1.00 0.00 H ATOM 2333 H GLY B 49 12.495 16.177 8.732 1.00 0.00 H ATOM 2334 N ILE B 50 11.166 19.768 9.065 1.00 25.55 N ATOM 2335 CA ILE B 50 10.519 20.381 10.214 1.00 25.34 C ATOM 2336 C ILE B 50 9.520 19.440 10.882 1.00 23.88 C ATOM 2337 O ILE B 50 9.485 19.338 12.107 1.00 24.77 O ATOM 2338 CB ILE B 50 9.818 21.719 9.808 1.00 26.52 C ATOM 2339 CG1 ILE B 50 9.527 22.571 11.042 1.00 28.16 C ATOM 2340 CG2 ILE B 50 8.539 21.460 9.024 1.00 27.17 C ATOM 2341 CD1 ILE B 50 10.732 23.288 11.557 1.00 25.05 C ATOM 2342 HA ILE B 50 11.301 20.598 10.942 1.00 0.00 H ATOM 2343 HB ILE B 50 10.501 22.268 9.160 1.00 0.00 H ATOM 2344 HG12 ILE B 50 8.768 23.309 10.783 1.00 0.00 H ATOM 2345 HG13 ILE B 50 9.146 21.922 11.830 1.00 0.00 H ATOM 2346 HD11 ILE B 50 11.497 22.561 11.830 1.00 0.00 H ATOM 2347 HD12 ILE B 50 11.118 23.950 10.782 1.00 0.00 H ATOM 2348 HD13 ILE B 50 10.457 23.875 12.434 1.00 0.00 H ATOM 2349 HG21 ILE B 50 8.777 20.904 8.117 1.00 0.00 H ATOM 2350 HG22 ILE B 50 7.850 20.880 9.637 1.00 0.00 H ATOM 2351 HG23 ILE B 50 8.078 22.411 8.758 1.00 0.00 H ATOM 2352 H ILE B 50 11.009 20.174 8.120 1.00 0.00 H ATOM 2353 N GLY B 51 8.764 18.702 10.073 1.00 23.64 N ATOM 2354 CA GLY B 51 7.754 17.806 10.612 1.00 25.84 C ATOM 2355 C GLY B 51 8.164 16.385 10.946 1.00 26.93 C ATOM 2356 O GLY B 51 7.416 15.669 11.607 1.00 27.93 O ATOM 2357 HA3 GLY B 51 6.949 17.747 9.879 1.00 0.00 H ATOM 2358 HA2 GLY B 51 7.376 18.258 11.529 1.00 0.00 H ATOM 2359 H GLY B 51 8.897 18.767 9.044 1.00 0.00 H ATOM 2360 N GLY B 52 9.328 15.961 10.472 1.00 27.23 N ATOM 2361 CA GLY B 52 9.785 14.613 10.747 1.00 26.90 C ATOM 2362 C GLY B 52 10.621 14.081 9.603 1.00 27.38 C ATOM 2363 O GLY B 52 11.228 14.855 8.863 1.00 27.88 O ATOM 2364 HA3 GLY B 52 8.920 13.965 10.889 1.00 0.00 H ATOM 2365 HA2 GLY B 52 10.386 14.618 11.656 1.00 0.00 H ATOM 2366 H GLY B 52 9.916 16.600 9.900 1.00 0.00 H ATOM 2367 N PHE B 53 10.608 12.767 9.408 1.00 27.25 N ATOM 2368 CA PHE B 53 11.399 12.162 8.350 1.00 27.47 C ATOM 2369 C PHE B 53 10.548 11.571 7.254 1.00 26.83 C ATOM 2370 O PHE B 53 9.410 11.164 7.487 1.00 27.91 O ATOM 2371 CB PHE B 53 12.299 11.064 8.920 1.00 28.48 C ATOM 2372 CG PHE B 53 13.259 11.550 9.961 1.00 30.28 C ATOM 2373 CD1 PHE B 53 12.874 11.634 11.294 1.00 31.56 C ATOM 2374 CD2 PHE B 53 14.542 11.951 9.607 1.00 31.01 C ATOM 2375 CE1 PHE B 53 13.756 12.116 12.264 1.00 31.96 C ATOM 2376 CE2 PHE B 53 15.431 12.433 10.567 1.00 31.52 C ATOM 2377 CZ PHE B 53 15.036 12.517 11.897 1.00 31.68 C ATOM 2378 HA PHE B 53 12.000 12.962 7.918 1.00 0.00 H ATOM 2379 HB2 PHE B 53 11.666 10.298 9.367 1.00 0.00 H ATOM 2380 HB3 PHE B 53 12.871 10.628 8.101 1.00 0.00 H ATOM 2381 HD2 PHE B 53 14.857 11.888 8.565 1.00 0.00 H ATOM 2382 HE2 PHE B 53 16.434 12.743 10.275 1.00 0.00 H ATOM 2383 HZ PHE B 53 15.727 12.896 12.650 1.00 0.00 H ATOM 2384 HE1 PHE B 53 13.442 12.178 13.306 1.00 0.00 H ATOM 2385 HD1 PHE B 53 11.872 11.320 11.586 1.00 0.00 H ATOM 2386 H PHE B 53 10.024 12.163 10.021 1.00 0.00 H ATOM 2387 N ILE B 54 11.089 11.568 6.043 1.00 24.43 N ATOM 2388 CA ILE B 54 10.403 10.982 4.907 1.00 23.24 C ATOM 2389 C ILE B 54 11.425 10.159 4.133 1.00 22.71 C ATOM 2390 O ILE B 54 12.633 10.367 4.269 1.00 20.05 O ATOM 2391 CB ILE B 54 9.739 12.031 3.963 1.00 22.56 C ATOM 2392 CG1 ILE B 54 10.789 12.845 3.213 1.00 15.53 C ATOM 2393 CG2 ILE B 54 8.800 12.948 4.742 1.00 22.69 C ATOM 2394 CD1 ILE B 54 10.209 13.641 2.072 1.00 11.65 C ATOM 2395 HA ILE B 54 9.584 10.370 5.284 1.00 0.00 H ATOM 2396 HB ILE B 54 9.150 11.486 3.226 1.00 0.00 H ATOM 2397 HG12 ILE B 54 11.261 13.534 3.913 1.00 0.00 H ATOM 2398 HG13 ILE B 54 11.540 12.162 2.815 1.00 0.00 H ATOM 2399 HD11 ILE B 54 9.742 12.963 1.358 1.00 0.00 H ATOM 2400 HD12 ILE B 54 9.463 14.336 2.458 1.00 0.00 H ATOM 2401 HD13 ILE B 54 11.005 14.198 1.578 1.00 0.00 H ATOM 2402 HG21 ILE B 54 8.017 12.351 5.210 1.00 0.00 H ATOM 2403 HG22 ILE B 54 9.365 13.476 5.511 1.00 0.00 H ATOM 2404 HG23 ILE B 54 8.350 13.670 4.060 1.00 0.00 H ATOM 2405 H ILE B 54 12.027 11.996 5.905 1.00 0.00 H ATOM 2406 N LYS B 55 10.931 9.171 3.396 1.00 24.87 N ATOM 2407 CA LYS B 55 11.772 8.306 2.587 1.00 25.62 C ATOM 2408 C LYS B 55 11.759 8.884 1.190 1.00 24.13 C ATOM 2409 O LYS B 55 10.716 9.334 0.709 1.00 26.17 O ATOM 2410 CB LYS B 55 11.215 6.874 2.565 1.00 32.97 C ATOM 2411 CG LYS B 55 11.441 6.083 3.851 1.00 45.93 C ATOM 2412 CD LYS B 55 12.931 5.845 4.097 1.00 54.01 C ATOM 2413 CE LYS B 55 13.557 4.998 2.987 1.00 51.17 C ATOM 2414 NZ LYS B 55 15.024 4.802 3.152 1.00 37.23 N ATOM 2415 HA LYS B 55 12.783 8.257 2.993 1.00 0.00 H ATOM 2416 HB2 LYS B 55 10.142 6.929 2.384 1.00 0.00 H ATOM 2417 HB3 LYS B 55 11.693 6.336 1.746 1.00 0.00 H ATOM 2418 HG2 LYS B 55 11.026 6.641 4.690 1.00 0.00 H ATOM 2419 HG3 LYS B 55 10.935 5.121 3.771 1.00 0.00 H ATOM 2420 HD2 LYS B 55 13.441 6.807 4.138 1.00 0.00 H ATOM 2421 HD3 LYS B 55 13.055 5.328 5.049 1.00 0.00 H ATOM 2422 HE2 LYS B 55 13.379 5.492 2.032 1.00 0.00 H ATOM 2423 HE3 LYS B 55 13.075 4.020 2.984 1.00 0.00 H ATOM 2424 HZ1 LYS B 55 15.499 5.727 3.147 1.00 0.00 H ATOM 2425 HZ2 LYS B 55 15.209 4.321 4.056 1.00 0.00 H ATOM 2426 HZ3 LYS B 55 15.385 4.221 2.369 1.00 0.00 H ATOM 2427 H LYS B 55 9.903 9.011 3.398 1.00 0.00 H ATOM 2428 N VAL B 56 12.915 8.891 0.542 1.00 20.68 N ATOM 2429 CA VAL B 56 13.019 9.429 -0.807 1.00 19.17 C ATOM 2430 C VAL B 56 13.888 8.506 -1.648 1.00 19.10 C ATOM 2431 O VAL B 56 14.567 7.628 -1.113 1.00 20.17 O ATOM 2432 CB VAL B 56 13.638 10.861 -0.805 1.00 18.23 C ATOM 2433 CG1 VAL B 56 12.708 11.842 -0.125 1.00 18.21 C ATOM 2434 CG2 VAL B 56 14.980 10.861 -0.101 1.00 17.54 C ATOM 2435 HA VAL B 56 12.015 9.494 -1.227 1.00 0.00 H ATOM 2436 HB VAL B 56 13.781 11.167 -1.841 1.00 0.00 H ATOM 2437 HG11 VAL B 56 11.757 11.868 -0.657 1.00 0.00 H ATOM 2438 HG12 VAL B 56 12.540 11.528 0.905 1.00 0.00 H ATOM 2439 HG13 VAL B 56 13.159 12.834 -0.135 1.00 0.00 H ATOM 2440 HG21 VAL B 56 14.848 10.531 0.930 1.00 0.00 H ATOM 2441 HG22 VAL B 56 15.660 10.183 -0.617 1.00 0.00 H ATOM 2442 HG23 VAL B 56 15.394 11.869 -0.111 1.00 0.00 H ATOM 2443 H VAL B 56 13.763 8.506 1.005 1.00 0.00 H ATOM 2444 N ARG B 57 13.797 8.651 -2.963 1.00 17.73 N ATOM 2445 CA ARG B 57 14.597 7.866 -3.890 1.00 17.22 C ATOM 2446 C ARG B 57 15.748 8.773 -4.346 1.00 19.63 C ATOM 2447 O ARG B 57 15.509 9.912 -4.744 1.00 20.67 O ATOM 2448 CB ARG B 57 13.751 7.456 -5.094 1.00 14.51 C ATOM 2449 CG ARG B 57 12.380 6.908 -4.711 1.00 24.53 C ATOM 2450 CD ARG B 57 11.811 5.988 -5.772 1.00 25.47 C ATOM 2451 NE ARG B 57 11.702 6.614 -7.084 1.00 31.36 N ATOM 2452 CZ ARG B 57 10.712 7.424 -7.455 1.00 37.73 C ATOM 2453 NH1 ARG B 57 9.732 7.728 -6.608 1.00 34.86 N ATOM 2454 NH2 ARG B 57 10.685 7.901 -8.692 1.00 36.97 N ATOM 2455 HA ARG B 57 14.970 6.957 -3.418 1.00 0.00 H ATOM 2456 HB2 ARG B 57 13.609 8.329 -5.731 1.00 0.00 H ATOM 2457 HB3 ARG B 57 14.288 6.687 -5.649 1.00 0.00 H ATOM 2458 HG2 ARG B 57 12.473 6.352 -3.778 1.00 0.00 H ATOM 2459 HG3 ARG B 57 11.696 7.744 -4.568 1.00 0.00 H ATOM 2460 HD2 ARG B 57 10.817 5.670 -5.457 1.00 0.00 H ATOM 2461 HD3 ARG B 57 12.460 5.116 -5.858 1.00 0.00 H ATOM 2462 HE ARG B 57 12.450 6.414 -7.779 1.00 0.00 H ATOM 2463 HH12 ARG B 57 8.964 8.362 -6.908 1.00 0.00 H ATOM 2464 HH11 ARG B 57 9.734 7.332 -5.646 1.00 0.00 H ATOM 2465 HH22 ARG B 57 9.915 8.534 -8.989 1.00 0.00 H ATOM 2466 HH21 ARG B 57 11.434 7.642 -9.366 1.00 0.00 H ATOM 2467 H ARG B 57 13.130 9.351 -3.345 1.00 0.00 H ATOM 2468 N GLN B 58 16.980 8.273 -4.305 1.00 18.22 N ATOM 2469 CA GLN B 58 18.137 9.068 -4.696 1.00 17.67 C ATOM 2470 C GLN B 58 18.655 8.758 -6.091 1.00 18.27 C ATOM 2471 O GLN B 58 19.040 7.625 -6.369 1.00 20.05 O ATOM 2472 CB GLN B 58 19.249 8.882 -3.664 1.00 20.12 C ATOM 2473 CG GLN B 58 20.565 9.526 -4.024 1.00 20.15 C ATOM 2474 CD GLN B 58 21.577 9.415 -2.907 1.00 20.24 C ATOM 2475 OE1 GLN B 58 21.217 9.359 -1.732 1.00 27.14 O ATOM 2476 NE2 GLN B 58 22.852 9.383 -3.265 1.00 26.15 N ATOM 2477 HA GLN B 58 17.810 10.107 -4.727 1.00 0.00 H ATOM 2478 HB2 GLN B 58 18.910 9.309 -2.720 1.00 0.00 H ATOM 2479 HB3 GLN B 58 19.418 7.813 -3.538 1.00 0.00 H ATOM 2480 HG2 GLN B 58 20.965 9.036 -4.911 1.00 0.00 H ATOM 2481 HG3 GLN B 58 20.393 10.581 -4.239 1.00 0.00 H ATOM 2482 HE22 GLN B 58 23.111 9.433 -4.271 1.00 0.00 H ATOM 2483 HE21 GLN B 58 23.594 9.308 -2.540 1.00 0.00 H ATOM 2484 H GLN B 58 17.121 7.293 -3.987 1.00 0.00 H ATOM 2485 N TYR B 59 18.647 9.763 -6.965 1.00 18.28 N ATOM 2486 CA TYR B 59 19.136 9.638 -8.340 1.00 18.95 C ATOM 2487 C TYR B 59 20.415 10.463 -8.455 1.00 21.24 C ATOM 2488 O TYR B 59 20.425 11.648 -8.110 1.00 22.39 O ATOM 2489 CB TYR B 59 18.099 10.170 -9.338 1.00 19.05 C ATOM 2490 CG TYR B 59 16.836 9.330 -9.424 1.00 20.01 C ATOM 2491 CD1 TYR B 59 15.828 9.449 -8.462 1.00 20.29 C ATOM 2492 CD2 TYR B 59 16.674 8.382 -10.437 1.00 19.83 C ATOM 2493 CE1 TYR B 59 14.694 8.639 -8.500 1.00 20.07 C ATOM 2494 CE2 TYR B 59 15.544 7.567 -10.486 1.00 20.12 C ATOM 2495 CZ TYR B 59 14.562 7.699 -9.512 1.00 21.20 C ATOM 2496 OH TYR B 59 13.464 6.870 -9.523 1.00 22.93 O ATOM 2497 HA TYR B 59 19.321 8.589 -8.570 1.00 0.00 H ATOM 2498 HB3 TYR B 59 18.558 10.201 -10.326 1.00 0.00 H ATOM 2499 HB2 TYR B 59 17.820 11.180 -9.037 1.00 0.00 H ATOM 2500 HD2 TYR B 59 17.444 8.278 -11.202 1.00 0.00 H ATOM 2501 HE2 TYR B 59 15.432 6.832 -11.283 1.00 0.00 H ATOM 2502 HE1 TYR B 59 13.918 8.743 -7.742 1.00 0.00 H ATOM 2503 HD1 TYR B 59 15.931 10.189 -7.668 1.00 0.00 H ATOM 2504 HH TYR B 59 12.973 6.986 -10.375 1.00 0.00 H ATOM 2505 H TYR B 59 18.275 10.683 -6.655 1.00 0.00 H ATOM 2506 N ASP B 60 21.499 9.839 -8.901 1.00 21.97 N ATOM 2507 CA ASP B 60 22.764 10.549 -9.050 1.00 22.22 C ATOM 2508 C ASP B 60 22.963 11.048 -10.470 1.00 21.90 C ATOM 2509 O ASP B 60 22.348 10.550 -11.422 1.00 20.31 O ATOM 2510 CB ASP B 60 23.957 9.660 -8.663 1.00 25.06 C ATOM 2511 CG ASP B 60 23.947 9.261 -7.196 1.00 33.09 C ATOM 2512 OD1 ASP B 60 23.238 9.910 -6.401 1.00 33.02 O ATOM 2513 OD2 ASP B 60 24.653 8.294 -6.833 1.00 38.82 O ATOM 2514 HA ASP B 60 22.718 11.404 -8.375 1.00 0.00 H ATOM 2515 HB2 ASP B 60 23.928 8.755 -9.270 1.00 0.00 H ATOM 2516 HB3 ASP B 60 24.878 10.205 -8.869 1.00 0.00 H ATOM 2517 H ASP B 60 21.445 8.830 -9.147 1.00 0.00 H ATOM 2518 N GLN B 61 23.798 12.073 -10.589 1.00 21.42 N ATOM 2519 CA GLN B 61 24.146 12.649 -11.869 1.00 20.94 C ATOM 2520 C GLN B 61 22.949 13.001 -12.754 1.00 21.41 C ATOM 2521 O GLN B 61 22.891 12.612 -13.923 1.00 22.85 O ATOM 2522 CB GLN B 61 25.092 11.693 -12.590 1.00 18.31 C ATOM 2523 CG GLN B 61 26.219 12.367 -13.337 1.00 22.95 C ATOM 2524 CD GLN B 61 27.339 11.402 -13.620 1.00 26.22 C ATOM 2525 OE1 GLN B 61 27.721 10.618 -12.745 1.00 29.21 O ATOM 2526 NE2 GLN B 61 27.871 11.439 -14.834 1.00 20.69 N ATOM 2527 HA GLN B 61 24.631 13.605 -11.670 1.00 0.00 H ATOM 2528 HB2 GLN B 61 25.528 11.023 -11.849 1.00 0.00 H ATOM 2529 HB3 GLN B 61 24.509 11.113 -13.305 1.00 0.00 H ATOM 2530 HG2 GLN B 61 25.838 12.756 -14.281 1.00 0.00 H ATOM 2531 HG3 GLN B 61 26.603 13.190 -12.735 1.00 0.00 H ATOM 2532 HE22 GLN B 61 27.515 12.117 -15.537 1.00 0.00 H ATOM 2533 HE21 GLN B 61 28.644 10.790 -15.083 1.00 0.00 H ATOM 2534 H GLN B 61 24.218 12.478 -9.728 1.00 0.00 H ATOM 2535 N ILE B 62 22.012 13.764 -12.204 1.00 19.96 N ATOM 2536 CA ILE B 62 20.834 14.179 -12.958 1.00 20.01 C ATOM 2537 C ILE B 62 21.028 15.603 -13.473 1.00 18.55 C ATOM 2538 O ILE B 62 21.426 16.501 -12.727 1.00 17.49 O ATOM 2539 CB ILE B 62 19.547 14.118 -12.085 1.00 21.47 C ATOM 2540 CG1 ILE B 62 19.265 12.676 -11.654 1.00 23.02 C ATOM 2541 CG2 ILE B 62 18.345 14.686 -12.845 1.00 20.58 C ATOM 2542 CD1 ILE B 62 18.993 11.722 -12.805 1.00 17.92 C ATOM 2543 HA ILE B 62 20.712 13.491 -13.795 1.00 0.00 H ATOM 2544 HB ILE B 62 19.710 14.727 -11.196 1.00 0.00 H ATOM 2545 HG12 ILE B 62 20.131 12.309 -11.103 1.00 0.00 H ATOM 2546 HG13 ILE B 62 18.393 12.679 -10.999 1.00 0.00 H ATOM 2547 HD11 ILE B 62 18.121 12.066 -13.362 1.00 0.00 H ATOM 2548 HD12 ILE B 62 19.860 11.695 -13.465 1.00 0.00 H ATOM 2549 HD13 ILE B 62 18.803 10.724 -12.411 1.00 0.00 H ATOM 2550 HG21 ILE B 62 18.542 15.725 -13.109 1.00 0.00 H ATOM 2551 HG22 ILE B 62 18.182 14.104 -13.752 1.00 0.00 H ATOM 2552 HG23 ILE B 62 17.459 14.632 -12.213 1.00 0.00 H ATOM 2553 H ILE B 62 22.120 14.072 -11.216 1.00 0.00 H ATOM 2554 N ILE B 63 20.781 15.790 -14.759 1.00 17.68 N ATOM 2555 CA ILE B 63 20.902 17.095 -15.379 1.00 19.43 C ATOM 2556 C ILE B 63 19.670 17.925 -15.018 1.00 21.93 C ATOM 2557 O ILE B 63 18.535 17.497 -15.231 1.00 20.88 O ATOM 2558 CB ILE B 63 20.988 16.958 -16.900 1.00 20.82 C ATOM 2559 CG1 ILE B 63 22.221 16.130 -17.273 1.00 22.79 C ATOM 2560 CG2 ILE B 63 21.032 18.321 -17.548 1.00 21.38 C ATOM 2561 CD1 ILE B 63 22.322 15.798 -18.753 1.00 26.94 C ATOM 2562 HA ILE B 63 21.809 17.581 -15.019 1.00 0.00 H ATOM 2563 HB ILE B 63 20.100 16.443 -17.267 1.00 0.00 H ATOM 2564 HG12 ILE B 63 23.110 16.692 -16.987 1.00 0.00 H ATOM 2565 HG13 ILE B 63 22.188 15.195 -16.714 1.00 0.00 H ATOM 2566 HD11 ILE B 63 21.446 15.224 -19.056 1.00 0.00 H ATOM 2567 HD12 ILE B 63 22.370 16.722 -19.329 1.00 0.00 H ATOM 2568 HD13 ILE B 63 23.223 15.210 -18.932 1.00 0.00 H ATOM 2569 HG21 ILE B 63 20.128 18.874 -17.291 1.00 0.00 H ATOM 2570 HG22 ILE B 63 21.906 18.864 -17.189 1.00 0.00 H ATOM 2571 HG23 ILE B 63 21.093 18.206 -18.630 1.00 0.00 H ATOM 2572 H ILE B 63 20.492 14.978 -15.342 1.00 0.00 H ATOM 2573 N ILE B 64 19.898 19.116 -14.480 1.00 25.47 N ATOM 2574 CA ILE B 64 18.811 20.004 -14.082 1.00 26.51 C ATOM 2575 C ILE B 64 19.210 21.460 -14.280 1.00 25.50 C ATOM 2576 O ILE B 64 20.250 21.902 -13.794 1.00 24.59 O ATOM 2577 CB ILE B 64 18.411 19.753 -12.611 1.00 27.62 C ATOM 2578 CG1 ILE B 64 17.365 20.765 -12.152 1.00 24.50 C ATOM 2579 CG2 ILE B 64 19.648 19.760 -11.714 1.00 29.69 C ATOM 2580 CD1 ILE B 64 16.858 20.487 -10.748 1.00 28.28 C ATOM 2581 HA ILE B 64 17.949 19.791 -14.715 1.00 0.00 H ATOM 2582 HB ILE B 64 17.955 18.766 -12.534 1.00 0.00 H ATOM 2583 HG12 ILE B 64 17.810 21.760 -12.172 1.00 0.00 H ATOM 2584 HG13 ILE B 64 16.521 20.732 -12.841 1.00 0.00 H ATOM 2585 HD11 ILE B 64 16.402 19.497 -10.717 1.00 0.00 H ATOM 2586 HD12 ILE B 64 17.692 20.527 -10.047 1.00 0.00 H ATOM 2587 HD13 ILE B 64 16.117 21.238 -10.475 1.00 0.00 H ATOM 2588 HG21 ILE B 64 20.333 18.975 -12.035 1.00 0.00 H ATOM 2589 HG22 ILE B 64 20.143 20.728 -11.788 1.00 0.00 H ATOM 2590 HG23 ILE B 64 19.348 19.582 -10.682 1.00 0.00 H ATOM 2591 H ILE B 64 20.881 19.426 -14.338 1.00 0.00 H ATOM 2592 N GLU B 65 18.396 22.181 -15.043 1.00 26.21 N ATOM 2593 CA GLU B 65 18.625 23.597 -15.335 1.00 27.40 C ATOM 2594 C GLU B 65 17.933 24.460 -14.276 1.00 27.24 C ATOM 2595 O GLU B 65 16.717 24.390 -14.112 1.00 25.24 O ATOM 2596 CB GLU B 65 18.068 23.933 -16.719 1.00 28.22 C ATOM 2597 CG GLU B 65 18.209 25.383 -17.111 1.00 43.51 C ATOM 2598 CD GLU B 65 19.368 25.623 -18.044 1.00 59.10 C ATOM 2599 OE1 GLU B 65 20.527 25.516 -17.592 1.00 61.81 O ATOM 2600 OE2 GLU B 65 19.114 25.918 -19.233 1.00 69.38 O ATOM 2601 HA GLU B 65 19.696 23.800 -15.320 1.00 0.00 H ATOM 2602 HB2 GLU B 65 18.596 23.327 -17.456 1.00 0.00 H ATOM 2603 HB3 GLU B 65 17.009 23.677 -16.732 1.00 0.00 H ATOM 2604 HG2 GLU B 65 17.291 25.702 -17.605 1.00 0.00 H ATOM 2605 HG3 GLU B 65 18.359 25.976 -16.209 1.00 0.00 H ATOM 2606 H GLU B 65 17.559 21.719 -15.451 1.00 0.00 H ATOM 2607 N ILE B 66 18.711 25.231 -13.529 1.00 28.50 N ATOM 2608 CA ILE B 66 18.155 26.087 -12.492 1.00 29.79 C ATOM 2609 C ILE B 66 18.394 27.543 -12.855 1.00 32.76 C ATOM 2610 O ILE B 66 19.544 27.998 -12.892 1.00 31.80 O ATOM 2611 CB ILE B 66 18.814 25.825 -11.117 1.00 28.16 C ATOM 2612 CG1 ILE B 66 18.770 24.337 -10.779 1.00 26.77 C ATOM 2613 CG2 ILE B 66 18.112 26.633 -10.027 1.00 25.11 C ATOM 2614 CD1 ILE B 66 19.746 23.935 -9.702 1.00 23.91 C ATOM 2615 HA ILE B 66 17.090 25.866 -12.423 1.00 0.00 H ATOM 2616 HB ILE B 66 19.856 26.140 -11.170 1.00 0.00 H ATOM 2617 HG12 ILE B 66 17.763 24.089 -10.443 1.00 0.00 H ATOM 2618 HG13 ILE B 66 19.000 23.771 -11.682 1.00 0.00 H ATOM 2619 HD11 ILE B 66 20.760 24.166 -10.028 1.00 0.00 H ATOM 2620 HD12 ILE B 66 19.523 24.485 -8.788 1.00 0.00 H ATOM 2621 HD13 ILE B 66 19.658 22.865 -9.515 1.00 0.00 H ATOM 2622 HG21 ILE B 66 18.185 27.695 -10.260 1.00 0.00 H ATOM 2623 HG22 ILE B 66 17.063 26.342 -9.980 1.00 0.00 H ATOM 2624 HG23 ILE B 66 18.589 26.436 -9.067 1.00 0.00 H ATOM 2625 H ILE B 66 19.739 25.224 -13.687 1.00 0.00 H ATOM 2626 N CYS B 67 17.319 28.248 -13.202 1.00 37.82 N ATOM 2627 CA CYS B 67 17.406 29.667 -13.523 1.00 40.68 C ATOM 2628 C CYS B 67 18.447 29.949 -14.613 1.00 39.81 C ATOM 2629 O CYS B 67 19.285 30.842 -14.462 1.00 40.05 O ATOM 2630 CB CYS B 67 17.789 30.412 -12.243 1.00 42.79 C ATOM 2631 SG CYS B 67 16.805 31.842 -11.864 1.00 44.03 S ATOM 2632 HA CYS B 67 16.442 30.002 -13.907 1.00 0.00 H ATOM 2633 HB2 CYS B 67 18.826 30.734 -12.339 1.00 0.00 H ATOM 2634 HB3 CYS B 67 17.702 29.714 -11.410 1.00 0.00 H ATOM 2635 HG CYS B 67 17.258 32.412 -10.692 1.00 0.00 H ATOM 2636 H CYS B 67 16.394 27.774 -13.245 1.00 0.00 H ATOM 2637 N GLY B 68 18.426 29.162 -15.686 1.00 38.46 N ATOM 2638 CA GLY B 68 19.385 29.353 -16.765 1.00 35.85 C ATOM 2639 C GLY B 68 20.753 28.705 -16.569 1.00 34.96 C ATOM 2640 O GLY B 68 21.535 28.609 -17.512 1.00 34.91 O ATOM 2641 HA3 GLY B 68 19.538 30.425 -16.889 1.00 0.00 H ATOM 2642 HA2 GLY B 68 18.949 28.942 -17.675 1.00 0.00 H ATOM 2643 H GLY B 68 17.718 28.403 -15.755 1.00 0.00 H ATOM 2644 N HIS B 69 21.065 28.282 -15.350 1.00 34.86 N ATOM 2645 CA HIS B 69 22.345 27.641 -15.073 1.00 36.05 C ATOM 2646 C HIS B 69 22.182 26.132 -15.076 1.00 34.52 C ATOM 2647 O HIS B 69 21.243 25.610 -14.486 1.00 34.85 O ATOM 2648 CB HIS B 69 22.870 28.085 -13.715 1.00 38.01 C ATOM 2649 CG HIS B 69 23.147 29.551 -13.631 1.00 40.67 C ATOM 2650 ND1 HIS B 69 24.421 30.058 -13.499 1.00 41.71 N ATOM 2651 CD2 HIS B 69 22.319 30.621 -13.686 1.00 41.86 C ATOM 2652 CE1 HIS B 69 24.369 31.377 -13.482 1.00 42.26 C ATOM 2653 NE2 HIS B 69 23.105 31.743 -13.593 1.00 42.42 N ATOM 2654 HA HIS B 69 23.054 27.932 -15.848 1.00 0.00 H ATOM 2655 HB2 HIS B 69 22.128 27.830 -12.958 1.00 0.00 H ATOM 2656 HB3 HIS B 69 23.795 27.547 -13.510 1.00 0.00 H ATOM 2657 HD2 HIS B 69 21.234 30.596 -13.785 1.00 0.00 H ATOM 2658 HE1 HIS B 69 25.223 32.049 -13.392 1.00 0.00 H ATOM 2659 H HIS B 69 20.382 28.411 -14.576 1.00 0.00 H ATOM 2660 N LYS B 70 23.084 25.427 -15.745 1.00 32.33 N ATOM 2661 CA LYS B 70 23.007 23.973 -15.798 1.00 30.92 C ATOM 2662 C LYS B 70 23.800 23.344 -14.656 1.00 29.23 C ATOM 2663 O LYS B 70 24.960 23.690 -14.424 1.00 31.22 O ATOM 2664 CB LYS B 70 23.522 23.463 -17.150 1.00 35.93 C ATOM 2665 CG LYS B 70 23.385 21.956 -17.372 1.00 44.34 C ATOM 2666 CD LYS B 70 21.927 21.524 -17.478 1.00 57.30 C ATOM 2667 CE LYS B 70 21.260 22.015 -18.769 1.00 61.15 C ATOM 2668 NZ LYS B 70 19.811 21.630 -18.849 1.00 46.33 N ATOM 2669 HA LYS B 70 21.963 23.682 -15.687 1.00 0.00 H ATOM 2670 HB2 LYS B 70 22.966 23.972 -17.937 1.00 0.00 H ATOM 2671 HB3 LYS B 70 24.578 23.721 -17.228 1.00 0.00 H ATOM 2672 HG2 LYS B 70 23.900 21.688 -18.295 1.00 0.00 H ATOM 2673 HG3 LYS B 70 23.847 21.433 -16.535 1.00 0.00 H ATOM 2674 HD2 LYS B 70 21.882 20.435 -17.454 1.00 0.00 H ATOM 2675 HD3 LYS B 70 21.380 21.928 -16.626 1.00 0.00 H ATOM 2676 HE2 LYS B 70 21.785 21.582 -19.621 1.00 0.00 H ATOM 2677 HE3 LYS B 70 21.336 23.102 -18.811 1.00 0.00 H ATOM 2678 HZ1 LYS B 70 19.727 20.594 -18.818 1.00 0.00 H ATOM 2679 HZ2 LYS B 70 19.298 22.045 -18.045 1.00 0.00 H ATOM 2680 HZ3 LYS B 70 19.408 21.985 -19.739 1.00 0.00 H ATOM 2681 H LYS B 70 23.857 25.918 -16.238 1.00 0.00 H ATOM 2682 N ALA B 71 23.135 22.480 -13.898 1.00 25.22 N ATOM 2683 CA ALA B 71 23.748 21.755 -12.794 1.00 22.53 C ATOM 2684 C ALA B 71 23.520 20.267 -13.087 1.00 22.23 C ATOM 2685 O ALA B 71 22.564 19.905 -13.783 1.00 21.23 O ATOM 2686 CB ALA B 71 23.099 22.138 -11.477 1.00 21.94 C ATOM 2687 HA ALA B 71 24.809 21.989 -12.708 1.00 0.00 H ATOM 2688 HB1 ALA B 71 23.223 23.208 -11.310 1.00 0.00 H ATOM 2689 HB2 ALA B 71 22.037 21.896 -11.513 1.00 0.00 H ATOM 2690 HB3 ALA B 71 23.572 21.585 -10.666 1.00 0.00 H ATOM 2691 H ALA B 71 22.129 22.313 -14.102 1.00 0.00 H ATOM 2692 N ILE B 72 24.427 19.418 -12.609 1.00 20.13 N ATOM 2693 CA ILE B 72 24.326 17.974 -12.805 1.00 18.86 C ATOM 2694 C ILE B 72 24.729 17.371 -11.474 1.00 18.32 C ATOM 2695 O ILE B 72 25.889 17.457 -11.072 1.00 17.87 O ATOM 2696 CB ILE B 72 25.279 17.458 -13.918 1.00 17.73 C ATOM 2697 CG1 ILE B 72 25.109 18.283 -15.197 1.00 14.17 C ATOM 2698 CG2 ILE B 72 24.983 15.979 -14.226 1.00 16.01 C ATOM 2699 CD1 ILE B 72 25.937 17.798 -16.359 1.00 14.98 C ATOM 2700 HA ILE B 72 23.319 17.699 -13.119 1.00 0.00 H ATOM 2701 HB ILE B 72 26.304 17.558 -13.562 1.00 0.00 H ATOM 2702 HG12 ILE B 72 24.059 18.251 -15.488 1.00 0.00 H ATOM 2703 HG13 ILE B 72 25.393 19.313 -14.980 1.00 0.00 H ATOM 2704 HD11 ILE B 72 26.993 17.835 -16.092 1.00 0.00 H ATOM 2705 HD12 ILE B 72 25.658 16.772 -16.600 1.00 0.00 H ATOM 2706 HD13 ILE B 72 25.757 18.437 -17.223 1.00 0.00 H ATOM 2707 HG21 ILE B 72 25.131 15.385 -13.324 1.00 0.00 H ATOM 2708 HG22 ILE B 72 23.951 15.879 -14.563 1.00 0.00 H ATOM 2709 HG23 ILE B 72 25.658 15.630 -15.008 1.00 0.00 H ATOM 2710 H ILE B 72 25.237 19.796 -12.077 1.00 0.00 H ATOM 2711 N GLY B 73 23.769 16.806 -10.756 1.00 17.80 N ATOM 2712 CA GLY B 73 24.095 16.244 -9.461 1.00 17.23 C ATOM 2713 C GLY B 73 23.024 15.337 -8.908 1.00 16.68 C ATOM 2714 O GLY B 73 22.189 14.831 -9.650 1.00 17.84 O ATOM 2715 HA3 GLY B 73 24.249 17.063 -8.759 1.00 0.00 H ATOM 2716 HA2 GLY B 73 25.017 15.670 -9.556 1.00 0.00 H ATOM 2717 H GLY B 73 22.795 16.767 -11.117 1.00 0.00 H ATOM 2718 N THR B 74 23.055 15.142 -7.597 1.00 16.01 N ATOM 2719 CA THR B 74 22.109 14.282 -6.907 1.00 19.41 C ATOM 2720 C THR B 74 20.746 14.949 -6.721 1.00 22.22 C ATOM 2721 O THR B 74 20.657 16.082 -6.229 1.00 21.52 O ATOM 2722 CB THR B 74 22.664 13.881 -5.525 1.00 21.60 C ATOM 2723 OG1 THR B 74 23.948 13.265 -5.690 1.00 24.39 O ATOM 2724 CG2 THR B 74 21.718 12.918 -4.814 1.00 21.92 C ATOM 2725 HA THR B 74 21.972 13.399 -7.531 1.00 0.00 H ATOM 2726 HB THR B 74 22.758 14.779 -4.914 1.00 0.00 H ATOM 2727 HG1 THR B 74 24.305 13.007 -4.804 1.00 0.00 H ATOM 2728 HG23 THR B 74 20.744 13.392 -4.691 1.00 0.00 H ATOM 2729 HG21 THR B 74 21.610 12.011 -5.409 1.00 0.00 H ATOM 2730 HG22 THR B 74 22.126 12.666 -3.835 1.00 0.00 H ATOM 2731 H THR B 74 23.788 15.625 -7.039 1.00 0.00 H ATOM 2732 N VAL B 75 19.691 14.238 -7.116 1.00 22.08 N ATOM 2733 CA VAL B 75 18.317 14.721 -6.986 1.00 20.65 C ATOM 2734 C VAL B 75 17.531 13.663 -6.214 1.00 19.60 C ATOM 2735 O VAL B 75 17.625 12.472 -6.511 1.00 20.20 O ATOM 2736 CB VAL B 75 17.653 14.960 -8.375 1.00 20.99 C ATOM 2737 CG1 VAL B 75 16.180 15.272 -8.207 1.00 21.35 C ATOM 2738 CG2 VAL B 75 18.332 16.118 -9.104 1.00 21.38 C ATOM 2739 HA VAL B 75 18.318 15.678 -6.463 1.00 0.00 H ATOM 2740 HB VAL B 75 17.767 14.050 -8.964 1.00 0.00 H ATOM 2741 HG11 VAL B 75 15.686 14.434 -7.715 1.00 0.00 H ATOM 2742 HG12 VAL B 75 16.067 16.169 -7.599 1.00 0.00 H ATOM 2743 HG13 VAL B 75 15.731 15.436 -9.186 1.00 0.00 H ATOM 2744 HG21 VAL B 75 18.240 17.025 -8.507 1.00 0.00 H ATOM 2745 HG22 VAL B 75 19.386 15.884 -9.252 1.00 0.00 H ATOM 2746 HG23 VAL B 75 17.853 16.268 -10.071 1.00 0.00 H ATOM 2747 H VAL B 75 19.851 13.300 -7.535 1.00 0.00 H ATOM 2748 N LEU B 76 16.810 14.086 -5.185 1.00 18.15 N ATOM 2749 CA LEU B 76 16.015 13.166 -4.384 1.00 17.62 C ATOM 2750 C LEU B 76 14.553 13.346 -4.800 1.00 19.87 C ATOM 2751 O LEU B 76 14.111 14.475 -5.028 1.00 20.55 O ATOM 2752 CB LEU B 76 16.194 13.460 -2.886 1.00 16.38 C ATOM 2753 CG LEU B 76 17.610 13.506 -2.290 1.00 14.89 C ATOM 2754 CD1 LEU B 76 17.522 13.833 -0.817 1.00 14.11 C ATOM 2755 CD2 LEU B 76 18.355 12.186 -2.484 1.00 14.11 C ATOM 2756 HA LEU B 76 16.335 12.137 -4.551 1.00 0.00 H ATOM 2757 HB2 LEU B 76 15.738 14.431 -2.696 1.00 0.00 H ATOM 2758 HB3 LEU B 76 15.646 12.690 -2.343 1.00 0.00 H ATOM 2759 HG LEU B 76 18.171 14.279 -2.815 1.00 0.00 H ATOM 2760 HD21 LEU B 76 17.804 11.384 -1.993 1.00 0.00 H ATOM 2761 HD22 LEU B 76 18.440 11.971 -3.549 1.00 0.00 H ATOM 2762 HD23 LEU B 76 19.351 12.265 -2.047 1.00 0.00 H ATOM 2763 HD11 LEU B 76 17.040 14.802 -0.689 1.00 0.00 H ATOM 2764 HD12 LEU B 76 16.937 13.066 -0.310 1.00 0.00 H ATOM 2765 HD13 LEU B 76 18.526 13.866 -0.393 1.00 0.00 H ATOM 2766 H LEU B 76 16.812 15.098 -4.944 1.00 0.00 H ATOM 2767 N VAL B 77 13.834 12.236 -4.974 1.00 19.92 N ATOM 2768 CA VAL B 77 12.420 12.259 -5.360 1.00 20.03 C ATOM 2769 C VAL B 77 11.595 11.660 -4.217 1.00 20.86 C ATOM 2770 O VAL B 77 11.914 10.585 -3.709 1.00 20.40 O ATOM 2771 CB VAL B 77 12.171 11.466 -6.672 1.00 19.74 C ATOM 2772 CG1 VAL B 77 10.685 11.477 -7.039 1.00 19.44 C ATOM 2773 CG2 VAL B 77 12.973 12.073 -7.804 1.00 19.75 C ATOM 2774 HA VAL B 77 12.121 13.291 -5.545 1.00 0.00 H ATOM 2775 HB VAL B 77 12.486 10.435 -6.512 1.00 0.00 H ATOM 2776 HG11 VAL B 77 10.110 11.017 -6.235 1.00 0.00 H ATOM 2777 HG12 VAL B 77 10.355 12.506 -7.181 1.00 0.00 H ATOM 2778 HG13 VAL B 77 10.536 10.915 -7.961 1.00 0.00 H ATOM 2779 HG21 VAL B 77 12.669 13.110 -7.948 1.00 0.00 H ATOM 2780 HG22 VAL B 77 14.034 12.035 -7.557 1.00 0.00 H ATOM 2781 HG23 VAL B 77 12.791 11.510 -8.719 1.00 0.00 H ATOM 2782 H VAL B 77 14.296 11.316 -4.830 1.00 0.00 H ATOM 2783 N GLY B 78 10.560 12.374 -3.792 1.00 22.08 N ATOM 2784 CA GLY B 78 9.738 11.898 -2.694 1.00 23.62 C ATOM 2785 C GLY B 78 8.602 12.846 -2.355 1.00 25.36 C ATOM 2786 O GLY B 78 8.430 13.873 -3.022 1.00 24.44 O ATOM 2787 HA3 GLY B 78 10.368 11.780 -1.813 1.00 0.00 H ATOM 2788 HA2 GLY B 78 9.315 10.932 -2.969 1.00 0.00 H ATOM 2789 H GLY B 78 10.336 13.281 -4.249 1.00 0.00 H ATOM 2790 N PRO B 79 7.837 12.555 -1.287 1.00 26.50 N ATOM 2791 CA PRO B 79 6.701 13.371 -0.847 1.00 26.89 C ATOM 2792 C PRO B 79 7.034 14.710 -0.177 1.00 26.30 C ATOM 2793 O PRO B 79 6.808 14.884 1.021 1.00 27.91 O ATOM 2794 CB PRO B 79 5.972 12.429 0.106 1.00 27.19 C ATOM 2795 CG PRO B 79 7.105 11.706 0.764 1.00 26.68 C ATOM 2796 CD PRO B 79 8.019 11.389 -0.398 1.00 26.82 C ATOM 2797 HA PRO B 79 6.122 13.710 -1.706 1.00 0.00 H ATOM 2798 HD3 PRO B 79 9.055 11.303 -0.071 1.00 0.00 H ATOM 2799 HD2 PRO B 79 7.718 10.466 -0.894 1.00 0.00 H ATOM 2800 HG3 PRO B 79 6.759 10.795 1.252 1.00 0.00 H ATOM 2801 HG2 PRO B 79 7.605 12.341 1.495 1.00 0.00 H ATOM 2802 HB2 PRO B 79 5.380 12.983 0.834 1.00 0.00 H ATOM 2803 HB3 PRO B 79 5.325 11.740 -0.437 1.00 0.00 H ATOM 2804 N THR B 80 7.563 15.650 -0.953 1.00 24.57 N ATOM 2805 CA THR B 80 7.893 16.979 -0.446 1.00 21.99 C ATOM 2806 C THR B 80 6.778 17.971 -0.790 1.00 20.86 C ATOM 2807 O THR B 80 6.197 17.903 -1.881 1.00 21.25 O ATOM 2808 CB THR B 80 9.225 17.517 -1.046 1.00 20.54 C ATOM 2809 OG1 THR B 80 9.466 18.837 -0.546 1.00 25.91 O ATOM 2810 CG2 THR B 80 9.171 17.576 -2.567 1.00 14.36 C ATOM 2811 HA THR B 80 8.004 16.885 0.634 1.00 0.00 H ATOM 2812 HB THR B 80 10.025 16.836 -0.754 1.00 0.00 H ATOM 2813 HG1 THR B 80 8.718 19.430 -0.809 1.00 0.00 H ATOM 2814 HG23 THR B 80 8.988 16.577 -2.962 1.00 0.00 H ATOM 2815 HG21 THR B 80 8.366 18.243 -2.875 1.00 0.00 H ATOM 2816 HG22 THR B 80 10.121 17.950 -2.949 1.00 0.00 H ATOM 2817 H THR B 80 7.748 15.432 -1.953 1.00 0.00 H ATOM 2818 N PRO B 81 6.465 18.902 0.136 1.00 21.68 N ATOM 2819 CA PRO B 81 5.421 19.921 -0.050 1.00 21.85 C ATOM 2820 C PRO B 81 5.640 20.754 -1.310 1.00 23.66 C ATOM 2821 O PRO B 81 4.687 21.106 -2.008 1.00 25.50 O ATOM 2822 CB PRO B 81 5.564 20.782 1.202 1.00 21.14 C ATOM 2823 CG PRO B 81 5.992 19.808 2.230 1.00 21.47 C ATOM 2824 CD PRO B 81 7.020 18.977 1.501 1.00 21.47 C ATOM 2825 HA PRO B 81 4.430 19.485 -0.177 1.00 0.00 H ATOM 2826 HD3 PRO B 81 7.995 19.465 1.503 1.00 0.00 H ATOM 2827 HD2 PRO B 81 7.111 17.985 1.944 1.00 0.00 H ATOM 2828 HG3 PRO B 81 5.155 19.194 2.562 1.00 0.00 H ATOM 2829 HG2 PRO B 81 6.433 20.313 3.089 1.00 0.00 H ATOM 2830 HB2 PRO B 81 6.316 21.558 1.060 1.00 0.00 H ATOM 2831 HB3 PRO B 81 4.614 21.244 1.471 1.00 0.00 H ATOM 2832 N VAL B 82 6.898 21.091 -1.578 1.00 24.84 N ATOM 2833 CA VAL B 82 7.266 21.885 -2.752 1.00 25.39 C ATOM 2834 C VAL B 82 8.646 21.439 -3.233 1.00 22.41 C ATOM 2835 O VAL B 82 9.411 20.860 -2.462 1.00 22.26 O ATOM 2836 CB VAL B 82 7.334 23.419 -2.440 1.00 26.67 C ATOM 2837 CG1 VAL B 82 6.026 23.917 -1.828 1.00 27.06 C ATOM 2838 CG2 VAL B 82 8.492 23.719 -1.523 1.00 26.71 C ATOM 2839 HA VAL B 82 6.499 21.725 -3.509 1.00 0.00 H ATOM 2840 HB VAL B 82 7.487 23.947 -3.381 1.00 0.00 H ATOM 2841 HG11 VAL B 82 5.209 23.740 -2.527 1.00 0.00 H ATOM 2842 HG12 VAL B 82 5.834 23.381 -0.899 1.00 0.00 H ATOM 2843 HG13 VAL B 82 6.105 24.985 -1.623 1.00 0.00 H ATOM 2844 HG21 VAL B 82 8.365 23.172 -0.589 1.00 0.00 H ATOM 2845 HG22 VAL B 82 9.422 23.412 -2.002 1.00 0.00 H ATOM 2846 HG23 VAL B 82 8.523 24.789 -1.317 1.00 0.00 H ATOM 2847 H VAL B 82 7.649 20.779 -0.929 1.00 0.00 H ATOM 2848 N ASN B 83 8.955 21.693 -4.498 1.00 20.76 N ATOM 2849 CA ASN B 83 10.262 21.323 -5.049 1.00 20.79 C ATOM 2850 C ASN B 83 11.296 22.254 -4.405 1.00 20.40 C ATOM 2851 O ASN B 83 11.064 23.464 -4.332 1.00 19.00 O ATOM 2852 CB ASN B 83 10.280 21.517 -6.568 1.00 18.74 C ATOM 2853 CG ASN B 83 9.308 20.605 -7.292 1.00 20.03 C ATOM 2854 OD1 ASN B 83 9.098 19.461 -6.892 1.00 21.59 O ATOM 2855 ND2 ASN B 83 8.714 21.106 -8.369 1.00 17.49 N ATOM 2856 HA ASN B 83 10.480 20.276 -4.841 1.00 0.00 H ATOM 2857 HB2 ASN B 83 10.018 22.551 -6.790 1.00 0.00 H ATOM 2858 HB3 ASN B 83 11.287 21.313 -6.933 1.00 0.00 H ATOM 2859 HD22 ASN B 83 8.921 22.079 -8.672 1.00 0.00 H ATOM 2860 HD21 ASN B 83 8.042 20.525 -8.910 1.00 0.00 H ATOM 2861 H ASN B 83 8.257 22.163 -5.110 1.00 0.00 H ATOM 2862 N ILE B 84 12.399 21.702 -3.898 1.00 19.24 N ATOM 2863 CA ILE B 84 13.435 22.520 -3.265 1.00 19.18 C ATOM 2864 C ILE B 84 14.841 22.280 -3.835 1.00 20.51 C ATOM 2865 O ILE B 84 15.246 21.141 -4.066 1.00 20.85 O ATOM 2866 CB ILE B 84 13.481 22.344 -1.700 1.00 18.97 C ATOM 2867 CG1 ILE B 84 13.930 20.938 -1.308 1.00 19.58 C ATOM 2868 CG2 ILE B 84 12.126 22.655 -1.071 1.00 17.21 C ATOM 2869 CD1 ILE B 84 14.057 20.741 0.197 1.00 20.94 C ATOM 2870 HA ILE B 84 13.142 23.543 -3.500 1.00 0.00 H ATOM 2871 HB ILE B 84 14.214 23.055 -1.319 1.00 0.00 H ATOM 2872 HG12 ILE B 84 13.201 20.223 -1.690 1.00 0.00 H ATOM 2873 HG13 ILE B 84 14.900 20.745 -1.765 1.00 0.00 H ATOM 2874 HD11 ILE B 84 14.791 21.442 0.593 1.00 0.00 H ATOM 2875 HD12 ILE B 84 13.091 20.920 0.668 1.00 0.00 H ATOM 2876 HD13 ILE B 84 14.379 19.720 0.403 1.00 0.00 H ATOM 2877 HG21 ILE B 84 11.849 23.684 -1.298 1.00 0.00 H ATOM 2878 HG22 ILE B 84 11.375 21.977 -1.476 1.00 0.00 H ATOM 2879 HG23 ILE B 84 12.190 22.525 0.009 1.00 0.00 H ATOM 2880 H ILE B 84 12.526 20.671 -3.953 1.00 0.00 H ATOM 2881 N ILE B 85 15.560 23.366 -4.100 1.00 19.83 N ATOM 2882 CA ILE B 85 16.922 23.293 -4.616 1.00 18.94 C ATOM 2883 C ILE B 85 17.812 23.470 -3.392 1.00 18.83 C ATOM 2884 O ILE B 85 17.822 24.543 -2.775 1.00 19.45 O ATOM 2885 CB ILE B 85 17.196 24.414 -5.647 1.00 17.68 C ATOM 2886 CG1 ILE B 85 16.223 24.287 -6.827 1.00 15.40 C ATOM 2887 CG2 ILE B 85 18.639 24.365 -6.130 1.00 16.11 C ATOM 2888 CD1 ILE B 85 16.282 22.931 -7.555 1.00 19.36 C ATOM 2889 HA ILE B 85 17.105 22.352 -5.135 1.00 0.00 H ATOM 2890 HB ILE B 85 17.039 25.379 -5.164 1.00 0.00 H ATOM 2891 HG12 ILE B 85 15.210 24.429 -6.451 1.00 0.00 H ATOM 2892 HG13 ILE B 85 16.455 25.072 -7.547 1.00 0.00 H ATOM 2893 HD11 ILE B 85 17.286 22.776 -7.951 1.00 0.00 H ATOM 2894 HD12 ILE B 85 16.039 22.133 -6.854 1.00 0.00 H ATOM 2895 HD13 ILE B 85 15.563 22.928 -8.374 1.00 0.00 H ATOM 2896 HG21 ILE B 85 19.310 24.497 -5.281 1.00 0.00 H ATOM 2897 HG22 ILE B 85 18.831 23.400 -6.600 1.00 0.00 H ATOM 2898 HG23 ILE B 85 18.806 25.163 -6.854 1.00 0.00 H ATOM 2899 H ILE B 85 15.136 24.301 -3.933 1.00 0.00 H ATOM 2900 N GLY B 86 18.473 22.388 -2.992 1.00 16.54 N ATOM 2901 CA GLY B 86 19.336 22.420 -1.826 1.00 13.11 C ATOM 2902 C GLY B 86 20.751 22.874 -2.118 1.00 13.01 C ATOM 2903 O GLY B 86 21.123 23.081 -3.276 1.00 10.96 O ATOM 2904 HA3 GLY B 86 19.378 21.416 -1.403 1.00 0.00 H ATOM 2905 HA2 GLY B 86 18.901 23.102 -1.096 1.00 0.00 H ATOM 2906 H GLY B 86 18.369 21.501 -3.525 1.00 0.00 H ATOM 2907 N ARG B 87 21.556 22.981 -1.064 1.00 15.83 N ATOM 2908 CA ARG B 87 22.947 23.428 -1.178 1.00 18.92 C ATOM 2909 C ARG B 87 23.811 22.642 -2.164 1.00 19.48 C ATOM 2910 O ARG B 87 24.701 23.217 -2.796 1.00 21.83 O ATOM 2911 CB ARG B 87 23.613 23.474 0.204 1.00 16.52 C ATOM 2912 CG ARG B 87 22.964 24.459 1.180 1.00 13.81 C ATOM 2913 CD ARG B 87 23.703 24.548 2.520 1.00 17.06 C ATOM 2914 NE ARG B 87 23.705 23.286 3.255 1.00 18.70 N ATOM 2915 CZ ARG B 87 24.688 22.394 3.200 1.00 20.76 C ATOM 2916 NH1 ARG B 87 25.761 22.630 2.459 1.00 20.08 N ATOM 2917 NH2 ARG B 87 24.607 21.270 3.895 1.00 18.70 N ATOM 2918 HA ARG B 87 22.883 24.430 -1.601 1.00 0.00 H ATOM 2919 HB2 ARG B 87 23.564 22.477 0.641 1.00 0.00 H ATOM 2920 HB3 ARG B 87 24.656 23.760 0.072 1.00 0.00 H ATOM 2921 HG2 ARG B 87 22.955 25.448 0.722 1.00 0.00 H ATOM 2922 HG3 ARG B 87 21.940 24.138 1.368 1.00 0.00 H ATOM 2923 HD2 ARG B 87 23.219 25.307 3.134 1.00 0.00 H ATOM 2924 HD3 ARG B 87 24.735 24.841 2.329 1.00 0.00 H ATOM 2925 HE ARG B 87 22.886 23.072 3.859 1.00 0.00 H ATOM 2926 HH12 ARG B 87 26.529 21.930 2.418 1.00 0.00 H ATOM 2927 HH11 ARG B 87 25.835 23.515 1.919 1.00 0.00 H ATOM 2928 HH22 ARG B 87 25.378 20.574 3.850 1.00 0.00 H ATOM 2929 HH21 ARG B 87 23.772 21.083 4.486 1.00 0.00 H ATOM 2930 H ARG B 87 21.184 22.738 -0.124 1.00 0.00 H ATOM 2931 N ASN B 88 23.509 21.360 -2.359 1.00 17.93 N ATOM 2932 CA ASN B 88 24.291 20.535 -3.270 1.00 16.51 C ATOM 2933 C ASN B 88 24.293 21.103 -4.688 1.00 19.45 C ATOM 2934 O ASN B 88 25.308 21.025 -5.385 1.00 20.80 O ATOM 2935 CB ASN B 88 23.822 19.068 -3.253 1.00 15.14 C ATOM 2936 CG ASN B 88 22.506 18.852 -3.983 1.00 17.21 C ATOM 2937 OD1 ASN B 88 21.479 19.421 -3.615 1.00 17.20 O ATOM 2938 ND2 ASN B 88 22.528 18.018 -5.019 1.00 17.21 N ATOM 2939 HA ASN B 88 25.320 20.552 -2.912 1.00 0.00 H ATOM 2940 HB2 ASN B 88 24.587 18.454 -3.728 1.00 0.00 H ATOM 2941 HB3 ASN B 88 23.699 18.755 -2.216 1.00 0.00 H ATOM 2942 HD22 ASN B 88 23.418 17.558 -5.297 1.00 0.00 H ATOM 2943 HD21 ASN B 88 21.655 17.826 -5.551 1.00 0.00 H ATOM 2944 H ASN B 88 22.703 20.941 -1.853 1.00 0.00 H ATOM 2945 N LEU B 89 23.181 21.707 -5.108 1.00 18.34 N ATOM 2946 CA LEU B 89 23.103 22.294 -6.447 1.00 17.62 C ATOM 2947 C LEU B 89 23.281 23.812 -6.423 1.00 17.60 C ATOM 2948 O LEU B 89 23.688 24.399 -7.419 1.00 17.93 O ATOM 2949 CB LEU B 89 21.788 21.936 -7.135 1.00 18.54 C ATOM 2950 CG LEU B 89 21.500 20.454 -7.358 1.00 18.56 C ATOM 2951 CD1 LEU B 89 20.271 20.316 -8.254 1.00 18.67 C ATOM 2952 CD2 LEU B 89 22.712 19.774 -7.994 1.00 15.30 C ATOM 2953 HA LEU B 89 23.927 21.868 -7.019 1.00 0.00 H ATOM 2954 HB2 LEU B 89 20.979 22.340 -6.527 1.00 0.00 H ATOM 2955 HB3 LEU B 89 21.785 22.422 -8.111 1.00 0.00 H ATOM 2956 HG LEU B 89 21.303 19.968 -6.403 1.00 0.00 H ATOM 2957 HD21 LEU B 89 22.930 20.245 -8.952 1.00 0.00 H ATOM 2958 HD22 LEU B 89 23.573 19.877 -7.333 1.00 0.00 H ATOM 2959 HD23 LEU B 89 22.495 18.717 -8.148 1.00 0.00 H ATOM 2960 HD11 LEU B 89 19.416 20.789 -7.771 1.00 0.00 H ATOM 2961 HD12 LEU B 89 20.464 20.802 -9.211 1.00 0.00 H ATOM 2962 HD13 LEU B 89 20.059 19.259 -8.418 1.00 0.00 H ATOM 2963 H LEU B 89 22.357 21.762 -4.475 1.00 0.00 H ATOM 2964 N LEU B 90 22.978 24.443 -5.290 1.00 16.90 N ATOM 2965 CA LEU B 90 23.145 25.885 -5.165 1.00 16.77 C ATOM 2966 C LEU B 90 24.632 26.210 -5.311 1.00 18.51 C ATOM 2967 O LEU B 90 24.993 27.245 -5.865 1.00 19.53 O ATOM 2968 CB LEU B 90 22.624 26.394 -3.817 1.00 14.89 C ATOM 2969 CG LEU B 90 21.120 26.293 -3.542 1.00 13.48 C ATOM 2970 CD1 LEU B 90 20.844 26.814 -2.149 1.00 11.39 C ATOM 2971 CD2 LEU B 90 20.311 27.052 -4.596 1.00 9.81 C ATOM 2972 HA LEU B 90 22.567 26.382 -5.944 1.00 0.00 H ATOM 2973 HB2 LEU B 90 23.135 25.829 -3.037 1.00 0.00 H ATOM 2974 HB3 LEU B 90 22.898 27.446 -3.740 1.00 0.00 H ATOM 2975 HG LEU B 90 20.809 25.250 -3.603 1.00 0.00 H ATOM 2976 HD21 LEU B 90 20.597 28.104 -4.584 1.00 0.00 H ATOM 2977 HD22 LEU B 90 20.514 26.631 -5.581 1.00 0.00 H ATOM 2978 HD23 LEU B 90 19.248 26.960 -4.372 1.00 0.00 H ATOM 2979 HD11 LEU B 90 21.394 26.215 -1.423 1.00 0.00 H ATOM 2980 HD12 LEU B 90 21.164 27.854 -2.081 1.00 0.00 H ATOM 2981 HD13 LEU B 90 19.776 26.747 -1.942 1.00 0.00 H ATOM 2982 H LEU B 90 22.616 23.898 -4.482 1.00 0.00 H ATOM 2983 N THR B 91 25.493 25.316 -4.831 1.00 19.85 N ATOM 2984 CA THR B 91 26.931 25.529 -4.949 1.00 20.37 C ATOM 2985 C THR B 91 27.356 25.395 -6.409 1.00 23.49 C ATOM 2986 O THR B 91 28.267 26.094 -6.862 1.00 26.49 O ATOM 2987 CB THR B 91 27.746 24.547 -4.073 1.00 19.43 C ATOM 2988 OG1 THR B 91 27.337 23.199 -4.338 1.00 21.41 O ATOM 2989 CG2 THR B 91 27.556 24.860 -2.595 1.00 13.87 C ATOM 2990 HA THR B 91 27.141 26.536 -4.590 1.00 0.00 H ATOM 2991 HB THR B 91 28.801 24.660 -4.321 1.00 0.00 H ATOM 2992 HG1 THR B 91 27.863 22.579 -3.774 1.00 0.00 H ATOM 2993 HG23 THR B 91 27.868 25.886 -2.399 1.00 0.00 H ATOM 2994 HG21 THR B 91 26.505 24.743 -2.332 1.00 0.00 H ATOM 2995 HG22 THR B 91 28.159 24.175 -1.999 1.00 0.00 H ATOM 2996 H THR B 91 25.137 24.456 -4.367 1.00 0.00 H ATOM 2997 N GLN B 92 26.679 24.522 -7.155 1.00 22.00 N ATOM 2998 CA GLN B 92 27.001 24.329 -8.565 1.00 22.07 C ATOM 2999 C GLN B 92 26.729 25.555 -9.419 1.00 23.44 C ATOM 3000 O GLN B 92 27.448 25.810 -10.388 1.00 25.66 O ATOM 3001 CB GLN B 92 26.265 23.126 -9.146 1.00 20.23 C ATOM 3002 CG GLN B 92 26.765 21.811 -8.611 1.00 19.38 C ATOM 3003 CD GLN B 92 26.534 20.658 -9.568 1.00 17.76 C ATOM 3004 OE1 GLN B 92 26.344 20.846 -10.771 1.00 11.51 O ATOM 3005 NE2 GLN B 92 26.539 19.453 -9.030 1.00 22.72 N ATOM 3006 HA GLN B 92 28.075 24.145 -8.593 1.00 0.00 H ATOM 3007 HB2 GLN B 92 25.206 23.218 -8.906 1.00 0.00 H ATOM 3008 HB3 GLN B 92 26.392 23.131 -10.229 1.00 0.00 H ATOM 3009 HG2 GLN B 92 27.835 21.897 -8.421 1.00 0.00 H ATOM 3010 HG3 GLN B 92 26.247 21.596 -7.676 1.00 0.00 H ATOM 3011 HE22 GLN B 92 26.704 19.340 -8.009 1.00 0.00 H ATOM 3012 HE21 GLN B 92 26.378 18.616 -9.627 1.00 0.00 H ATOM 3013 H GLN B 92 25.909 23.970 -6.725 1.00 0.00 H ATOM 3014 N ILE B 93 25.697 26.313 -9.061 1.00 21.77 N ATOM 3015 CA ILE B 93 25.357 27.518 -9.802 1.00 21.98 C ATOM 3016 C ILE B 93 26.043 28.744 -9.195 1.00 21.62 C ATOM 3017 O ILE B 93 25.819 29.864 -9.634 1.00 22.03 O ATOM 3018 CB ILE B 93 23.823 27.727 -9.891 1.00 22.87 C ATOM 3019 CG1 ILE B 93 23.231 27.979 -8.505 1.00 22.44 C ATOM 3020 CG2 ILE B 93 23.168 26.500 -10.523 1.00 22.80 C ATOM 3021 CD1 ILE B 93 21.774 28.344 -8.533 1.00 22.73 C ATOM 3022 HA ILE B 93 25.726 27.389 -10.820 1.00 0.00 H ATOM 3023 HB ILE B 93 23.627 28.600 -10.513 1.00 0.00 H ATOM 3024 HG12 ILE B 93 23.349 27.074 -7.909 1.00 0.00 H ATOM 3025 HG13 ILE B 93 23.782 28.795 -8.037 1.00 0.00 H ATOM 3026 HD11 ILE B 93 21.640 29.255 -9.116 1.00 0.00 H ATOM 3027 HD12 ILE B 93 21.206 27.533 -8.988 1.00 0.00 H ATOM 3028 HD13 ILE B 93 21.422 28.508 -7.514 1.00 0.00 H ATOM 3029 HG21 ILE B 93 23.570 26.351 -11.525 1.00 0.00 H ATOM 3030 HG22 ILE B 93 23.377 25.622 -9.911 1.00 0.00 H ATOM 3031 HG23 ILE B 93 22.091 26.655 -10.582 1.00 0.00 H ATOM 3032 H ILE B 93 25.123 26.040 -8.238 1.00 0.00 H ATOM 3033 N GLY B 94 26.860 28.517 -8.171 1.00 21.96 N ATOM 3034 CA GLY B 94 27.610 29.589 -7.540 1.00 23.67 C ATOM 3035 C GLY B 94 26.793 30.562 -6.721 1.00 26.56 C ATOM 3036 O GLY B 94 27.087 31.760 -6.697 1.00 26.59 O ATOM 3037 HA3 GLY B 94 28.116 30.152 -8.324 1.00 0.00 H ATOM 3038 HA2 GLY B 94 28.353 29.137 -6.882 1.00 0.00 H ATOM 3039 H GLY B 94 26.965 27.546 -7.812 1.00 0.00 H ATOM 3040 N CYS B 95 25.805 30.037 -6.003 1.00 26.29 N ATOM 3041 CA CYS B 95 24.921 30.841 -5.174 1.00 24.47 C ATOM 3042 C CYS B 95 25.455 31.018 -3.755 1.00 22.92 C ATOM 3043 O CYS B 95 25.924 30.060 -3.132 1.00 21.69 O ATOM 3044 CB CYS B 95 23.533 30.198 -5.146 1.00 25.62 C ATOM 3045 SG CYS B 95 22.270 31.128 -4.258 1.00 26.31 S ATOM 3046 HA CYS B 95 24.862 31.837 -5.613 1.00 0.00 H ATOM 3047 HB2 CYS B 95 23.625 29.219 -4.675 1.00 0.00 H ATOM 3048 HB3 CYS B 95 23.198 30.074 -6.176 1.00 0.00 H ATOM 3049 HG CYS B 95 21.074 30.441 -4.309 1.00 0.00 H ATOM 3050 H CYS B 95 25.658 29.008 -6.035 1.00 0.00 H ATOM 3051 N THR B 96 25.363 32.246 -3.248 1.00 21.63 N ATOM 3052 CA THR B 96 25.820 32.590 -1.907 1.00 19.16 C ATOM 3053 C THR B 96 24.786 33.493 -1.250 1.00 16.61 C ATOM 3054 O THR B 96 23.915 34.054 -1.930 1.00 16.13 O ATOM 3055 CB THR B 96 27.133 33.420 -1.946 1.00 23.33 C ATOM 3056 OG1 THR B 96 26.943 34.570 -2.783 1.00 20.50 O ATOM 3057 CG2 THR B 96 28.299 32.600 -2.467 1.00 19.93 C ATOM 3058 HA THR B 96 25.975 31.655 -1.369 1.00 0.00 H ATOM 3059 HB THR B 96 27.369 33.728 -0.928 1.00 0.00 H ATOM 3060 HG1 THR B 96 26.709 34.275 -3.699 1.00 0.00 H ATOM 3061 HG23 THR B 96 28.441 31.727 -1.830 1.00 0.00 H ATOM 3062 HG21 THR B 96 28.087 32.277 -3.486 1.00 0.00 H ATOM 3063 HG22 THR B 96 29.203 33.209 -2.458 1.00 0.00 H ATOM 3064 H THR B 96 24.945 32.995 -3.836 1.00 0.00 H ATOM 3065 N LEU B 97 24.877 33.607 0.071 1.00 16.79 N ATOM 3066 CA LEU B 97 24.014 34.486 0.852 1.00 18.01 C ATOM 3067 C LEU B 97 24.883 35.719 1.115 1.00 20.69 C ATOM 3068 O LEU B 97 26.086 35.592 1.356 1.00 20.18 O ATOM 3069 CB LEU B 97 23.630 33.836 2.186 1.00 17.00 C ATOM 3070 CG LEU B 97 22.525 32.783 2.144 1.00 15.49 C ATOM 3071 CD1 LEU B 97 22.445 32.108 3.483 1.00 15.66 C ATOM 3072 CD2 LEU B 97 21.190 33.430 1.788 1.00 14.97 C ATOM 3073 HA LEU B 97 23.083 34.713 0.333 1.00 0.00 H ATOM 3074 HB2 LEU B 97 24.523 33.361 2.591 1.00 0.00 H ATOM 3075 HB3 LEU B 97 23.305 34.630 2.859 1.00 0.00 H ATOM 3076 HG LEU B 97 22.753 32.042 1.378 1.00 0.00 H ATOM 3077 HD21 LEU B 97 20.939 34.180 2.538 1.00 0.00 H ATOM 3078 HD22 LEU B 97 21.267 33.905 0.810 1.00 0.00 H ATOM 3079 HD23 LEU B 97 20.413 32.666 1.762 1.00 0.00 H ATOM 3080 HD11 LEU B 97 23.400 31.632 3.706 1.00 0.00 H ATOM 3081 HD12 LEU B 97 22.219 32.850 4.249 1.00 0.00 H ATOM 3082 HD13 LEU B 97 21.658 31.354 3.462 1.00 0.00 H ATOM 3083 H LEU B 97 25.595 33.044 0.570 1.00 0.00 H ATOM 3084 N ASN B 98 24.289 36.905 1.068 1.00 22.86 N ATOM 3085 CA ASN B 98 25.048 38.130 1.273 1.00 23.73 C ATOM 3086 C ASN B 98 24.275 39.152 2.074 1.00 26.53 C ATOM 3087 O ASN B 98 23.081 39.347 1.855 1.00 26.46 O ATOM 3088 CB ASN B 98 25.396 38.765 -0.071 1.00 22.64 C ATOM 3089 CG ASN B 98 26.264 37.889 -0.925 1.00 26.48 C ATOM 3090 OD1 ASN B 98 27.482 38.064 -0.975 1.00 31.43 O ATOM 3091 ND2 ASN B 98 25.651 36.939 -1.611 1.00 27.93 N ATOM 3092 HA ASN B 98 25.947 37.850 1.822 1.00 0.00 H ATOM 3093 HB2 ASN B 98 24.470 38.968 -0.610 1.00 0.00 H ATOM 3094 HB3 ASN B 98 25.922 39.702 0.113 1.00 0.00 H ATOM 3095 HD22 ASN B 98 24.620 36.828 -1.538 1.00 0.00 H ATOM 3096 HD21 ASN B 98 26.200 36.303 -2.224 1.00 0.00 H ATOM 3097 H ASN B 98 23.267 36.960 0.882 1.00 0.00 H ATOM 3098 N PHE B 99 24.967 39.823 2.982 1.00 28.92 N ATOM 3099 CA PHE B 99 24.364 40.870 3.795 1.00 30.83 C ATOM 3100 C PHE B 99 25.439 41.728 4.477 1.00 33.56 C ATOM 3101 O PHE B 99 26.619 41.605 4.078 1.00 35.09 O ATOM 3102 CB PHE B 99 23.352 40.290 4.801 1.00 29.60 C ATOM 3103 CG PHE B 99 23.954 39.429 5.872 1.00 27.95 C ATOM 3104 CD1 PHE B 99 24.114 38.063 5.679 1.00 27.99 C ATOM 3105 CD2 PHE B 99 24.308 39.977 7.099 1.00 27.54 C ATOM 3106 CE1 PHE B 99 24.616 37.256 6.696 1.00 28.35 C ATOM 3107 CE2 PHE B 99 24.812 39.183 8.122 1.00 27.78 C ATOM 3108 CZ PHE B 99 24.966 37.819 7.925 1.00 28.37 C ATOM 3109 HA PHE B 99 23.802 41.529 3.133 1.00 0.00 H ATOM 3110 OXT PHE B 99 25.103 42.535 5.372 1.00 35.06 O ATOM 3111 HB2 PHE B 99 22.838 41.121 5.283 1.00 0.00 H ATOM 3112 HB3 PHE B 99 22.630 39.689 4.248 1.00 0.00 H ATOM 3113 HD2 PHE B 99 24.188 41.048 7.262 1.00 0.00 H ATOM 3114 HE2 PHE B 99 25.086 39.631 9.077 1.00 0.00 H ATOM 3115 HZ PHE B 99 25.358 37.190 8.725 1.00 0.00 H ATOM 3116 HE1 PHE B 99 24.736 36.185 6.533 1.00 0.00 H ATOM 3117 HD1 PHE B 99 23.844 37.618 4.721 1.00 0.00 H ATOM 3118 H PHE B 99 25.972 39.595 3.119 1.00 0.00 H TER 3119 PHE B 99 HETATM 3120 O HOH 1 16.171 42.612 2.420 1.00 20.99 O HETATM 3121 O HOH 2 20.095 44.444 0.287 1.00 42.10 O HETATM 3122 O HOH 3 22.577 44.569 5.456 1.00 49.69 O HETATM 3123 O HOH 4 22.381 41.713 0.381 1.00 37.27 O HETATM 3124 O HOH 5 25.103 42.530 -0.125 1.00 35.60 O HETATM 3125 O HOH 6 31.322 41.804 6.624 1.00 46.18 O HETATM 3126 O HOH 7 28.237 41.153 10.029 1.00 53.82 O HETATM 3127 O HOH 8 24.105 46.086 11.915 1.00 52.05 O HETATM 3128 O HOH 9 22.524 46.039 14.489 1.00 48.79 O HETATM 3129 O HOH 10 25.256 38.439 15.980 1.00 50.69 O HETATM 3130 O HOH 11 24.372 37.565 18.116 1.00 35.98 O HETATM 3131 O HOH 12 25.698 38.539 20.141 1.00 59.09 O HETATM 3132 O HOH 13 25.960 40.882 21.656 1.00 54.15 O HETATM 3133 O HOH 14 25.788 37.839 25.431 1.00 53.84 O HETATM 3134 O HOH 15 23.173 32.573 26.787 1.00 35.75 O HETATM 3135 O HOH 16 13.325 38.760 26.206 1.00 57.47 O HETATM 3136 O HOH 17 18.542 34.315 30.475 1.00 47.20 O HETATM 3137 O HOH 18 19.504 42.538 21.083 1.00 56.10 O HETATM 3138 O HOH 19 12.183 38.844 23.995 1.00 44.79 O HETATM 3139 O HOH 20 10.520 35.131 29.068 1.00 61.86 O HETATM 3140 O HOH 21 5.570 38.257 29.743 1.00 43.51 O HETATM 3141 O HOH 22 1.248 36.418 28.474 1.00 47.24 O HETATM 3142 O HOH 23 -0.882 33.504 25.578 1.00 43.36 O HETATM 3143 O HOH 24 -3.085 31.688 23.912 1.00 46.93 O HETATM 3144 O HOH 25 -5.919 30.921 18.808 1.00 36.37 O HETATM 3145 O HOH 26 -4.342 30.717 16.571 1.00 36.99 O HETATM 3146 O HOH 27 -1.536 27.593 11.769 1.00 20.66 O HETATM 3147 O HOH 28 4.198 28.951 7.758 1.00 28.33 O HETATM 3148 O HOH 29 7.812 35.934 5.742 1.00 27.09 O HETATM 3149 O HOH 30 9.659 39.903 5.457 1.00 29.16 O HETATM 3150 O HOH 31 8.019 42.205 5.407 1.00 33.43 O HETATM 3151 O HOH 32 6.022 36.253 2.016 1.00 37.38 O HETATM 3152 O HOH 33 4.538 33.145 3.279 1.00 50.07 O HETATM 3153 O HOH 34 3.493 19.305 17.131 1.00 29.13 O HETATM 3154 O HOH 35 0.912 18.335 16.235 1.00 47.19 O HETATM 3155 O HOH 36 0.761 17.448 13.566 1.00 33.68 O HETATM 3156 O HOH 37 1.334 16.153 9.653 1.00 28.48 O HETATM 3157 O HOH 38 3.618 15.832 11.377 1.00 44.25 O HETATM 3158 O HOH 39 7.003 12.098 9.464 1.00 37.40 O HETATM 3159 O HOH 40 6.804 15.665 3.646 1.00 24.06 O HETATM 3160 O HOH 41 27.119 21.393 -0.505 1.00 40.91 O HETATM 3161 O HOH 42 33.672 18.809 4.425 1.00 64.91 O HETATM 3162 O HOH 43 27.395 21.522 7.084 1.00 21.26 O HETATM 3163 O HOH 44 27.709 22.031 9.701 1.00 41.35 O HETATM 3164 O HOH 45 24.796 21.438 11.602 1.00 36.82 O HETATM 3165 O HOH 46 22.536 21.806 13.214 1.00 50.27 O HETATM 3166 O HOH 47 20.321 24.713 15.876 1.00 25.47 O HETATM 3167 O HOH 48 18.394 26.242 21.295 1.00 31.81 O HETATM 3168 O HOH 49 16.020 27.212 22.421 1.00 37.35 O HETATM 3169 O HOH 50 12.934 22.021 21.048 1.00 37.78 O HETATM 3170 O HOH 51 13.534 20.234 19.139 1.00 40.87 O HETATM 3171 O HOH 52 21.738 26.728 19.801 1.00 36.15 O HETATM 3172 O HOH 53 8.284 33.614 12.371 1.00 17.24 O HETATM 3173 O HOH 54 6.372 35.689 9.043 1.00 44.02 O HETATM 3174 O HOH 55 3.587 34.341 11.682 1.00 38.13 O HETATM 3175 O HOH 56 7.433 39.236 11.093 1.00 24.89 O HETATM 3176 O HOH 57 5.929 40.651 14.856 1.00 24.10 O HETATM 3177 O HOH 58 7.067 43.252 14.485 1.00 58.68 O HETATM 3178 O HOH 59 1.806 42.648 17.780 1.00 36.33 O HETATM 3179 O HOH 60 0.587 39.437 19.622 1.00 53.77 O HETATM 3180 O HOH 61 -0.864 37.133 20.326 1.00 50.47 O HETATM 3181 O HOH 62 1.148 36.059 18.776 1.00 35.00 O HETATM 3182 O HOH 63 24.844 15.110 7.376 1.00 43.54 O HETATM 3183 O HOH 64 5.150 39.251 21.923 1.00 48.50 O HETATM 3184 O HOH 65 3.169 41.594 20.694 1.00 44.10 O HETATM 3185 O HOH 66 3.142 40.761 23.405 1.00 50.77 O HETATM 3186 O HOH 67 4.925 34.225 27.735 1.00 53.64 O HETATM 3187 O HOH 68 6.864 28.853 28.564 1.00 51.57 O HETATM 3188 O HOH 69 14.165 38.948 22.487 1.00 53.08 O HETATM 3189 O HOH 70 13.941 29.775 28.207 1.00 37.94 O HETATM 3190 O HOH 71 15.846 27.158 29.421 1.00 25.91 O HETATM 3191 O HOH 72 18.611 39.209 23.753 1.00 38.77 O HETATM 3192 O HOH 73 18.091 39.957 21.358 1.00 29.15 O HETATM 3193 O HOH 74 20.448 45.284 9.668 1.00 45.18 O HETATM 3194 O HOH 75 13.595 44.816 11.929 1.00 31.08 O HETATM 3195 O HOH 76 16.280 45.392 11.175 1.00 23.16 O HETATM 3196 O HOH 77 11.837 41.438 21.969 1.00 47.11 O HETATM 3197 O HOH 78 -3.034 38.519 18.352 1.00 63.07 O HETATM 3198 O HOH 79 0.112 38.299 14.844 1.00 54.60 O HETATM 3199 O HOH 80 -2.645 45.228 27.724 1.00 67.54 O HETATM 3200 O HOH 81 1.543 25.503 21.121 1.00 34.44 O HETATM 3201 O HOH 82 3.914 24.445 21.979 1.00 57.34 O HETATM 3202 O HOH 83 4.077 22.069 20.385 1.00 51.94 O HETATM 3203 O HOH 84 -4.325 24.981 20.471 1.00 39.39 O HETATM 3204 O HOH 85 8.848 28.866 2.119 1.00 16.71 O HETATM 3205 O HOH 86 10.678 30.655 1.467 1.00 18.68 O HETATM 3206 O HOH 87 22.424 11.294 8.755 1.00 62.39 O HETATM 3207 O HOH 88 27.012 31.963 -10.783 1.00 38.94 O HETATM 3208 O HOH 89 33.790 29.428 -3.153 1.00 43.16 O HETATM 3209 O HOH 90 32.748 33.863 -0.851 1.00 42.86 O HETATM 3210 O HOH 91 32.740 33.432 1.797 1.00 41.39 O HETATM 3211 O HOH 92 31.524 31.347 3.490 1.00 46.64 O HETATM 3212 O HOH 93 30.496 27.281 2.971 1.00 23.12 O HETATM 3213 O HOH 94 27.639 28.209 4.775 1.00 30.69 O HETATM 3214 O HOH 95 28.659 28.703 7.223 1.00 32.17 O HETATM 3215 O HOH 96 28.270 24.689 9.182 1.00 36.09 O HETATM 3216 O HOH 97 31.161 20.679 0.815 1.00 54.90 O HETATM 3217 O HOH 98 0.567 27.967 8.795 1.00 45.62 O HETATM 3218 O HOH 99 29.157 29.249 -11.181 1.00 41.28 O HETATM 3219 O HOH 100 28.760 30.889 14.193 1.00 44.83 O HETATM 3220 O HOH 101 28.106 33.576 13.479 1.00 47.82 O HETATM 3221 O HOH 102 31.689 33.917 5.467 1.00 48.95 O HETATM 3222 O HOH 103 32.640 37.345 3.452 1.00 46.72 O HETATM 3223 O HOH 104 33.284 37.596 -4.098 1.00 56.74 O HETATM 3224 O HOH 105 24.039 39.700 -7.570 1.00 41.54 O HETATM 3225 O HOH 106 25.670 41.909 -2.849 1.00 42.66 O HETATM 3226 O HOH 107 6.159 22.663 -10.650 1.00 39.26 O HETATM 3227 O HOH 108 7.800 13.170 -15.450 1.00 54.93 O HETATM 3228 O HOH 109 4.289 11.044 2.784 1.00 34.97 O HETATM 3229 O HOH 110 4.472 7.045 -5.663 1.00 38.27 O HETATM 3230 O HOH 111 10.525 6.504 -11.941 1.00 55.41 O HETATM 3231 O HOH 112 12.820 4.977 -11.434 1.00 34.67 O HETATM 3232 O HOH 113 14.646 4.920 -13.451 1.00 38.28 O HETATM 3233 O HOH 114 28.549 13.600 -10.507 1.00 56.72 O HETATM 3234 O HOH 115 16.704 4.423 -17.239 1.00 26.88 O HETATM 3235 O HOH 116 21.356 7.711 -16.253 1.00 47.10 O HETATM 3236 O HOH 117 25.324 12.314 -3.404 1.00 42.77 O HETATM 3237 O HOH 118 20.127 8.000 -12.138 1.00 44.76 O HETATM 3238 O HOH 119 21.313 7.126 -9.879 1.00 36.40 O HETATM 3239 O HOH 120 21.679 6.604 -7.215 1.00 31.01 O HETATM 3240 O HOH 121 23.837 -1.536 -9.854 1.00 46.18 O HETATM 3241 O HOH 122 21.174 1.378 -6.715 1.00 49.47 O HETATM 3242 O HOH 123 21.683 4.026 -13.435 1.00 42.92 O HETATM 3243 O HOH 124 19.651 13.428 -16.255 1.00 29.19 O HETATM 3244 O HOH 125 16.862 13.449 -16.521 1.00 27.99 O HETATM 3245 O HOH 126 17.067 16.306 -17.053 1.00 26.74 O HETATM 3246 O HOH 127 16.912 19.551 -18.438 1.00 23.57 O HETATM 3247 O HOH 128 24.459 16.183 4.032 1.00 48.33 O HETATM 3248 O HOH 129 15.030 21.107 -23.071 1.00 39.86 O HETATM 3249 O HOH 130 2.429 16.858 -8.564 1.00 43.32 O HETATM 3250 O HOH 131 11.190 20.344 -23.585 1.00 36.64 O HETATM 3251 O HOH 132 1.593 18.177 -6.647 1.00 51.95 O HETATM 3252 O HOH 133 7.346 22.074 -19.751 1.00 23.37 O HETATM 3253 O HOH 134 7.648 18.814 -20.861 1.00 44.67 O HETATM 3254 O HOH 135 5.291 26.285 -16.882 1.00 63.35 O HETATM 3255 O HOH 136 6.511 26.331 -14.432 1.00 42.66 O HETATM 3256 O HOH 137 27.049 22.061 -16.004 1.00 42.46 O HETATM 3257 O HOH 138 10.328 32.333 -13.383 1.00 52.54 O HETATM 3258 O HOH 139 12.989 31.835 -12.929 1.00 25.37 O HETATM 3259 O HOH 140 14.025 34.385 -11.025 1.00 51.94 O HETATM 3260 O HOH 141 13.093 34.625 -8.263 1.00 39.39 O HETATM 3261 O HOH 142 11.875 35.590 -6.058 1.00 36.43 O HETATM 3262 O HOH 143 12.285 36.220 -3.568 1.00 25.37 O HETATM 3263 O HOH 144 11.491 39.086 -2.751 1.00 20.25 O HETATM 3264 O HOH 145 9.768 40.800 -3.759 1.00 27.21 O HETATM 3265 O HOH 146 14.329 39.555 -6.101 1.00 31.08 O HETATM 3266 O HOH 147 16.499 39.207 -9.758 1.00 55.45 O HETATM 3267 O HOH 148 18.878 40.793 -10.392 1.00 44.57 O HETATM 3268 O HOH 149 17.553 42.938 -6.555 1.00 39.44 O HETATM 3269 O HOH 150 18.050 45.204 -3.226 1.00 52.83 O HETATM 3270 O HOH 151 15.447 44.614 -0.649 1.00 29.39 O HETATM 3271 O HOH 152 15.881 40.263 1.122 1.00 15.20 O HETATM 3272 O HOH 153 28.526 40.435 0.436 1.00 42.00 O HETATM 3273 O HOH 154 30.430 41.876 2.373 1.00 66.62 O HETATM 3274 O HOH 155 5.218 39.697 -0.610 1.00 49.04 O HETATM 3275 O HOH 156 6.561 40.705 2.165 1.00 56.91 O HETATM 3276 O HOH 157 4.473 33.794 0.680 1.00 46.79 O HETATM 3277 O HOH 158 5.842 34.408 -1.519 1.00 24.35 O HETATM 3278 O HOH 159 7.733 34.061 -5.168 1.00 32.98 O HETATM 3279 O HOH 160 4.676 27.789 -3.476 1.00 60.56 O HETATM 3280 O HOH 161 5.954 26.085 -5.735 1.00 52.82 O HETATM 3281 O HOH 162 7.183 23.515 -6.113 1.00 26.29 O HETATM 3282 O HOH 163 6.452 19.864 -9.488 1.00 35.18 O HETATM 3283 O HOH 164 7.926 17.036 -9.487 1.00 39.31 O HETATM 3284 O HOH 165 3.740 14.527 -7.943 1.00 54.41 O HETATM 3285 O HOH 166 4.667 15.964 -3.269 1.00 34.16 O HETATM 3286 O HOH 167 14.059 12.435 -17.550 1.00 46.22 O HETATM 3287 O HOH 168 10.058 3.847 -7.532 1.00 28.72 O HETATM 3288 O HOH 169 13.194 15.940 11.334 1.00 27.13 O HETATM 3289 O HOH 170 15.722 16.545 10.678 1.00 42.86 O HETATM 3290 O HOH 171 9.616 3.508 -4.012 1.00 44.19 O HETATM 3291 O HOH 172 5.132 15.923 13.633 1.00 45.48 O HETATM 3292 O HOH 173 9.614 11.718 12.219 1.00 49.07 O HETATM 3293 O HOH 174 8.384 8.232 4.681 1.00 40.25 O HETATM 3294 O HOH 175 11.216 4.754 -1.220 1.00 38.88 O HETATM 3295 O HOH 176 13.733 5.086 -0.019 1.00 32.82 O HETATM 3296 O HOH 177 8.926 8.430 -3.160 1.00 44.61 O HETATM 3297 O HOH 178 6.275 10.055 -4.094 1.00 39.22 O HETATM 3298 O HOH 179 12.370 15.849 13.877 1.00 49.21 O HETATM 3299 O HOH 180 22.309 15.478 -1.802 1.00 29.74 O HETATM 3300 O HOH 181 22.531 12.903 -1.195 1.00 42.60 O HETATM 3301 O HOH 182 20.125 16.132 -3.544 1.00 16.97 O HETATM 3302 O HOH 183 25.072 16.586 -5.986 1.00 17.13 O HETATM 3303 O HOH 184 26.818 18.706 -6.284 1.00 24.68 O HETATM 3304 O HOH 185 28.828 18.595 -4.485 1.00 35.40 O HETATM 3305 O HOH 186 28.357 20.974 -3.098 1.00 33.05 O HETATM 3306 O HOH 187 25.311 19.425 0.420 1.00 38.77 O HETATM 3307 O HOH 188 26.250 19.358 6.080 1.00 50.51 O HETATM 3308 O HOH 189 15.976 36.176 -11.673 1.00 68.12 O HETATM 3309 O HOH 190 19.598 10.813 8.678 1.00 38.36 O HETATM 3310 O HOH 191 13.484 27.096 -17.290 1.00 55.47 O HETATM 3311 O HOH 192 15.528 26.187 -19.237 1.00 60.14 O HETATM 3312 O HOH 193 19.946 28.177 -20.927 1.00 61.50 O HETATM 3313 O HOH 194 22.108 29.676 -20.437 1.00 59.80 O HETATM 3314 O HOH 195 22.942 26.257 -19.522 1.00 51.74 O HETATM 3315 O HOH 196 24.847 29.708 -16.532 1.00 44.73 O HETATM 3316 O HOH 197 26.850 28.756 -13.744 1.00 59.34 O HETATM 3317 O HOH 198 26.017 26.224 -13.422 1.00 54.66 O HETATM 3318 O HOH 199 28.953 32.979 -8.451 1.00 45.36 O HETATM 3319 O HOH 200 27.662 34.246 -5.388 1.00 33.16 O HETATM 3320 O HOH 201 28.188 28.814 -2.409 1.00 26.79 O HETATM 3321 O HOH 202 29.806 28.651 -4.813 1.00 52.93 O HETATM 3322 O HOH 203 21.765 24.011 4.915 1.00 20.14 O HETATM 3323 O HOH 204 20.515 21.913 6.250 1.00 17.62 O HETATM 3324 O HOH 205 19.982 11.264 4.656 1.00 47.38 O HETATM 3325 O HOH 206 25.208 12.945 -8.238 1.00 26.20 O HETATM 3326 O HOH 207 27.313 11.370 -7.923 1.00 36.37 O HETATM 3327 O HOH 208 26.195 9.347 -4.235 1.00 42.85 O HETATM 3328 O HOH 209 21.497 7.411 1.085 1.00 49.06 O HETATM 3329 O HOH 210 19.591 7.746 4.464 1.00 33.86 O HETATM 3330 O HOH 211 22.033 34.351 -14.512 1.00 39.44 O HETATM 3331 O HOH 212 11.794 38.339 -5.532 1.00 58.24 O HETATM 3332 O HOH 213 4.604 25.426 -12.679 1.00 58.29 O HETATM 3333 O HOH 214 3.240 26.136 7.098 1.00 26.08 O HETATM 3334 O HOH 215 2.466 27.866 4.093 1.00 37.75 O HETATM 3335 O HOH 216 11.004 21.155 6.538 1.00 21.89 O HETATM 3336 N GLU A 217 4.841 27.576 5.310 1.00 0.24 N HETATM 3337 CA GLU A 217 5.733 26.394 5.165 1.00 0.07 C HETATM 3338 C GLU A 217 7.174 26.772 5.504 1.00 0.23 C HETATM 3339 O GLU A 217 7.624 27.887 5.218 1.00 -0.39 O HETATM 3340 N GLU A 217 7.873 25.856 6.163 1.00 -0.26 N HETATM 3341 CA GLU A 217 9.258 26.072 6.560 1.00 0.14 C HETATM 3342 C GLU A 217 10.101 24.918 6.047 1.00 0.21 C HETATM 3343 O GLU A 217 10.182 23.864 6.682 1.00 -0.39 O HETATM 3344 N GLU A 217 10.686 25.115 4.869 1.00 -0.27 N HETATM 3345 CA GLU A 217 11.498 24.093 4.226 1.00 0.09 C HETATM 3346 C GLU A 217 12.984 24.399 4.268 1.00 0.06 C HETATM 3347 OXT GLU A 217 13.334 25.592 4.378 1.00 -0.57 O HETATM 3348 O GLU A 217 13.784 23.442 4.192 1.00 -0.57 O HETATM 3349 CB GLU A 217 11.038 23.922 2.785 1.00 -0.02 C HETATM 3350 CG GLU A 217 9.583 23.466 2.770 1.00 -0.04 C HETATM 3351 CD2 GLU A 217 9.521 21.955 2.602 1.00 -0.06 C HETATM 3352 H21 GLU A 217 10.097 21.473 3.406 1.00 0.02 H HETATM 3353 H22 GLU A 217 9.948 21.677 1.627 1.00 0.02 H HETATM 3354 H23 GLU A 217 8.473 21.623 2.651 1.00 0.02 H HETATM 3355 CD1 GLU A 217 8.819 24.197 1.708 1.00 -0.06 C HETATM 3356 H18 GLU A 217 7.773 23.858 1.710 1.00 0.02 H HETATM 3357 H19 GLU A 217 9.269 23.992 0.726 1.00 0.02 H HETATM 3358 H20 GLU A 217 8.854 25.278 1.909 1.00 0.02 H HETATM 3359 H17 GLU A 217 9.131 23.717 3.741 1.00 0.03 H HETATM 3360 H15 GLU A 217 11.664 23.168 2.287 1.00 0.03 H HETATM 3361 H16 GLU A 217 11.128 24.881 2.255 1.00 0.03 H HETATM 3362 H14 GLU A 217 11.335 23.145 4.760 1.00 0.07 H HETATM 3363 H13 GLU A 217 10.564 25.995 4.410 1.00 0.19 H HETATM 3364 CB GLU A 217 9.346 26.196 8.079 1.00 0.04 C HETATM 3365 CG GLU A 217 8.649 27.441 8.588 1.00 0.04 C HETATM 3366 OD1 GLU A 217 9.270 28.518 8.521 1.00 -0.57 O HETATM 3367 OD2 GLU A 217 7.474 27.357 9.012 1.00 -0.57 O HETATM 3368 H11 GLU A 217 10.406 26.238 8.371 1.00 0.05 H HETATM 3369 H12 GLU A 217 8.874 25.313 8.535 1.00 0.05 H HETATM 3370 H10 GLU A 217 9.622 27.007 6.109 1.00 0.08 H HETATM 3371 H9 GLU A 217 7.434 24.988 6.395 1.00 0.19 H HETATM 3372 CB GLU A 217 5.638 25.818 3.750 1.00 0.02 C HETATM 3373 CG GLU A 217 5.827 26.846 2.652 1.00 0.01 C HETATM 3374 CD GLU A 217 5.625 26.275 1.262 1.00 0.04 C HETATM 3375 OE1 GLU A 217 4.663 25.497 1.065 1.00 -0.57 O HETATM 3376 OE2 GLU A 217 6.425 26.620 0.363 1.00 -0.57 O HETATM 3377 H7 GLU A 217 6.849 27.248 2.720 1.00 0.04 H HETATM 3378 H8 GLU A 217 5.102 27.659 2.805 1.00 0.04 H HETATM 3379 H5 GLU A 217 4.645 25.361 3.628 1.00 0.04 H HETATM 3380 H6 GLU A 217 6.413 25.046 3.638 1.00 0.04 H HETATM 3381 H4 GLU A 217 5.402 25.621 5.875 1.00 0.11 H HETATM 3382 H1 GLU A 217 3.895 27.313 5.084 1.00 0.20 H HETATM 3383 H2 GLU A 217 5.146 28.305 4.684 1.00 0.20 H HETATM 3384 H3 GLU A 217 4.878 27.911 6.260 1.00 0.20 H CONECT 3336 3337 3382 3383 3384 CONECT 3337 3336 3338 3372 3381 CONECT 3338 3337 3339 3340 CONECT 3339 3338 CONECT 3340 3338 3341 3371 CONECT 3341 3340 3342 3364 3370 CONECT 3342 3341 3343 3344 CONECT 3343 3342 CONECT 3344 3342 3345 3363 CONECT 3345 3344 3346 3349 3362 CONECT 3346 3345 3347 3348 CONECT 3347 3346 CONECT 3348 3346 CONECT 3349 3345 3350 3360 3361 CONECT 3350 3349 3351 3355 3359 CONECT 3351 3350 3352 3353 3354 CONECT 3352 3351 CONECT 3353 3351 CONECT 3354 3351 CONECT 3355 3350 3356 3357 3358 CONECT 3356 3355 CONECT 3357 3355 CONECT 3358 3355 CONECT 3359 3350 CONECT 3360 3349 CONECT 3361 3349 CONECT 3362 3345 CONECT 3363 3344 CONECT 3364 3341 3365 3368 3369 CONECT 3365 3364 3366 3367 CONECT 3366 3365 CONECT 3367 3365 CONECT 3368 3364 CONECT 3369 3364 CONECT 3370 3341 CONECT 3371 3340 CONECT 3372 3337 3373 3379 3380 CONECT 3373 3372 3374 3377 3378 CONECT 3374 3373 3375 3376 CONECT 3375 3374 CONECT 3376 3374 CONECT 3377 3373 CONECT 3378 3373 CONECT 3379 3372 CONECT 3380 3372 CONECT 3381 3337 CONECT 3382 3336 CONECT 3383 3336 CONECT 3384 3336 MASTER 0 0 0 0 0 0 0 0 3382 2 49 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1a30
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a9m
RCSB PDB
PDBbind
99aa, >1A9M_1|Chains... at 98%
1aaq
RCSB PDB
PDBbind
99aa, >1AAQ_1|Chains... at 98%
1ajv
RCSB PDB
PDBbind
99aa, >1AJV_1|Chains... at 100%
1ajx
RCSB PDB
PDBbind
99aa, >1AJX_1|Chains... at 100%
1bdl
RCSB PDB
PDBbind
99aa, >1BDL_1|Chains... at 92%
1bdq
RCSB PDB
PDBbind
99aa, >1BDQ_1|Chains... at 90%
1bdr
RCSB PDB
PDBbind
99aa, >1BDR_1|Chains... at 93%
1bv7
RCSB PDB
PDBbind
99aa, >1BV7_1|Chains... at 97%
1bv9
RCSB PDB
PDBbind
99aa, >1BV9_1|Chains... at 97%
1bwa
RCSB PDB
PDBbind
99aa, >1BWA_1|Chains... at 96%
1bwb
RCSB PDB
PDBbind
99aa, >1BWB_1|Chains... at 96%
1c70
RCSB PDB
PDBbind
99aa, >1C70_1|Chains... at 100%
1d4h
RCSB PDB
PDBbind
99aa, >1D4H_1|Chains... at 100%
1d4i
RCSB PDB
PDBbind
99aa, >1D4I_1|Chains... at 100%
1d4j
RCSB PDB
PDBbind
99aa, >1D4J_1|Chains... at 100%
1d4y
RCSB PDB
PDBbind
99aa, >1D4Y_1|Chains... at 96%
1dif
RCSB PDB
PDBbind
99aa, >1DIF_1|Chains... at 100%
1dmp
RCSB PDB
PDBbind
99aa, >1DMP_1|Chains... at 97%
1ebw
RCSB PDB
PDBbind
99aa, >1EBW_1|Chains... at 100%
1ebz
RCSB PDB
PDBbind
99aa, >1EBZ_1|Chains... at 100%
1ec0
RCSB PDB
PDBbind
99aa, >1EC0_1|Chains... at 100%
1ec1
RCSB PDB
PDBbind
99aa, >1EC1_1|Chains... at 100%
1ec2
RCSB PDB
PDBbind
99aa, >1EC2_1|Chains... at 100%
1ec3
RCSB PDB
PDBbind
99aa, >1EC3_1|Chains... at 100%
1g2k
RCSB PDB
PDBbind
99aa, >1G2K_1|Chains... at 100%
1g35
RCSB PDB
PDBbind
99aa, >1G35_1|Chains... at 100%
1gnm
RCSB PDB
PDBbind
99aa, >1GNM_1|Chains... at 98%
1gnn
RCSB PDB
PDBbind
99aa, >1GNN_1|Chains... at 98%
1gno
RCSB PDB
PDBbind
99aa, >1GNO_1|Chains... at 100%
1hbv
RCSB PDB
PDBbind
99aa, >1HBV_1|Chains... at 100%
1hef
RCSB PDB
PDBbind
99aa, >1HEF_1|Chain... at 98%
1heg
RCSB PDB
PDBbind
99aa, >1HEG_1|Chain... at 98%
1hih
RCSB PDB
PDBbind
99aa, >1HIH_1|Chains... at 100%
1hiv
RCSB PDB
PDBbind
99aa, >1HIV_1|Chains... at 98%
1hos
RCSB PDB
PDBbind
99aa, >1HOS_1|Chains... at 100%
1hpo
RCSB PDB
PDBbind
99aa, >1HPO_1|Chains... at 96%
1hps
RCSB PDB
PDBbind
99aa, >1HPS_1|Chains... at 100%
1hpv
RCSB PDB
PDBbind
99aa, >1HPV_1|Chains... at 100%
1hpx
RCSB PDB
PDBbind
99aa, >1HPX_1|Chains... at 100%
1hsg
RCSB PDB
PDBbind
99aa, >1HSG_1|Chains... at 100%
1hte
RCSB PDB
PDBbind
99aa, >1HTE_1|Chains... at 100%
1htf
RCSB PDB
PDBbind
99aa, >1HTF_1|Chains... at 100%
1htg
RCSB PDB
PDBbind
99aa, >1HTG_1|Chains... at 100%
1hvh
RCSB PDB
PDBbind
99aa, >1HVH_1|Chains... at 97%
1hvi
RCSB PDB
PDBbind
99aa, >1HVI_1|Chains... at 100%
1hvj
RCSB PDB
PDBbind
99aa, >1HVJ_1|Chains... at 100%
1hvk
RCSB PDB
PDBbind
99aa, >1HVK_1|Chains... at 100%
1hvl
RCSB PDB
PDBbind
99aa, >1HVL_1|Chains... at 100%
1hvr
RCSB PDB
PDBbind
99aa, >1HVR_1|Chains... at 97%
1hvs
RCSB PDB
PDBbind
99aa, >1HVS_1|Chains... at 98%
1hwr
RCSB PDB
PDBbind
99aa, >1HWR_1|Chains... at 97%
1hxb
RCSB PDB
PDBbind
99aa, >1HXB_1|Chains... at 98%
1iiq
RCSB PDB
PDBbind
99aa, >1IIQ_1|Chains... at 100%
1izi
RCSB PDB
PDBbind
99aa, >1IZI_1|Chains... at 95%
1lzq
RCSB PDB
PDBbind
99aa, >1LZQ_1|Chains... at 96%
1m0b
RCSB PDB
PDBbind
99aa, >1M0B_1|Chains... at 100%
1mes
RCSB PDB
PDBbind
99aa, >1MES_1|Chains... at 97%
1met
RCSB PDB
PDBbind
99aa, >1MET_1|Chains... at 97%
1meu
RCSB PDB
PDBbind
99aa, >1MEU_1|Chains... at 96%
1mrw
RCSB PDB
PDBbind
99aa, >1MRW_1|Chains... at 96%
1mrx
RCSB PDB
PDBbind
99aa, >1MRX_1|Chains... at 94%
1msm
RCSB PDB
PDBbind
99aa, >1MSM_1|Chains... at 96%
1msn
RCSB PDB
PDBbind
99aa, >1MSN_1|Chains... at 94%
1mui
RCSB PDB
PDBbind
99aa, >1MUI_1|Chains... at 100%
1nh0
RCSB PDB
PDBbind
99aa, >1NH0_1|Chains... at 100%
1npa
RCSB PDB
PDBbind
99aa, >1NPA_1|Chains... at 100%
1npv
RCSB PDB
PDBbind
99aa, >1NPV_1|Chains... at 100%
1npw
RCSB PDB
PDBbind
99aa, >1NPW_1|Chains... at 100%
1ody
RCSB PDB
PDBbind
99aa, >1ODY_1|Chains... at 97%
1ohr
RCSB PDB
PDBbind
99aa, >1OHR_1|Chains... at 100%
1qbr
RCSB PDB
PDBbind
99aa, >1QBR_1|Chains... at 97%
1qbs
RCSB PDB
PDBbind
99aa, >1QBS_1|Chains... at 97%
1qbt
RCSB PDB
PDBbind
99aa, >1QBT_1|Chains... at 97%
1qbu
RCSB PDB
PDBbind
99aa, >1QBU_1|Chains... at 97%
1tcx
RCSB PDB
PDBbind
99aa, >1TCX_1|Chains... at 96%
1w5v
RCSB PDB
PDBbind
110aa, >1W5V_1|Chains... *
1w5w
RCSB PDB
PDBbind
110aa, >1W5W_1|Chains... at 100%
1w5x
RCSB PDB
PDBbind
110aa, >1W5X_1|Chains... at 100%
1w5y
RCSB PDB
PDBbind
110aa, >1W5Y_1|Chains... at 100%
1yt9
RCSB PDB
PDBbind
99aa, >1YT9_1|Chains... at 100%
1zsf
RCSB PDB
PDBbind
99aa, >1ZSF_1|Chains... at 100%
1zsr
RCSB PDB
PDBbind
99aa, >1ZSR_1|Chains... at 100%
2aqu
RCSB PDB
PDBbind
99aa, >2AQU_1|Chains... at 100%
2azb
RCSB PDB
PDBbind
99aa, >2AZB_1|Chain... at 94%
2azc
RCSB PDB
PDBbind
99aa, >2AZC_1|Chains... at 91%
2bbb
RCSB PDB
PDBbind
99aa, >2BBB_1|Chains... at 100%
2bpv
RCSB PDB
PDBbind
99aa, >2BPV_1|Chains... at 100%
2bpx
RCSB PDB
PDBbind
99aa, >2BPX_1|Chains... at 100%
2bpy
RCSB PDB
PDBbind
99aa, >2BPY_1|Chains... at 100%
2bqv
RCSB PDB
PDBbind
99aa, >2BQV_1|Chains... at 100%
2cej
RCSB PDB
PDBbind
99aa, >2CEJ_1|Chains... at 100%
2cem
RCSB PDB
PDBbind
99aa, >2CEM_1|Chains... at 100%
2cen
RCSB PDB
PDBbind
99aa, >2CEN_1|Chains... at 100%
2fde
RCSB PDB
PDBbind
100aa, >2FDE_1|Chains... at 99%
2fle
RCSB PDB
PDBbind
99aa, >2FLE_1|Chains... at 97%
2i4v
RCSB PDB
PDBbind
99aa, >2I4V_1|Chains... at 96%
2i4x
RCSB PDB
PDBbind
99aa, >2I4X_1|Chains... at 96%
2o4l
RCSB PDB
PDBbind
99aa, >2O4L_1|Chains... at 97%
2o4n
RCSB PDB
PDBbind
99aa, >2O4N_1|Chains... at 92%
2pk5
RCSB PDB
PDBbind
99aa, >2PK5_1|Chains... at 96%
2pk6
RCSB PDB
PDBbind
99aa, >2PK6_1|Chains... at 96%
2pqz
RCSB PDB
PDBbind
99aa, >2PQZ_1|Chains... at 100%
2pwc
RCSB PDB
PDBbind
99aa, >2PWC_1|Chains... at 100%
2pwr
RCSB PDB
PDBbind
99aa, >2PWR_1|Chains... at 100%
2pym
RCSB PDB
PDBbind
99aa, >2PYM_1|Chains... at 96%
2pyn
RCSB PDB
PDBbind
99aa, >2PYN_1|Chains... at 96%
2q63
RCSB PDB
PDBbind
99aa, >2Q63_1|Chains... at 96%
2q64
RCSB PDB
PDBbind
99aa, >2Q64_1|Chains... at 97%
2qhc
RCSB PDB
PDBbind
99aa, >2QHC_1|Chains... at 98%
2qnn
RCSB PDB
PDBbind
99aa, >2QNN_1|Chains... at 100%
2qnp
RCSB PDB
PDBbind
99aa, >2QNP_1|Chains... at 100%
2qnq
RCSB PDB
PDBbind
99aa, >2QNQ_1|Chains... at 100%
2r38
RCSB PDB
PDBbind
99aa, >2R38_1|Chains... at 98%
2r3t
RCSB PDB
PDBbind
99aa, >2R3T_1|Chains... at 98%
2r3w
RCSB PDB
PDBbind
99aa, >2R3W_1|Chains... at 98%
2r43
RCSB PDB
PDBbind
99aa, >2R43_1|Chains... at 98%
2upj
RCSB PDB
PDBbind
99aa, >2UPJ_1|Chains... at 100%
2uxz
RCSB PDB
PDBbind
99aa, >2UXZ_1|Chains... at 100%
2uy0
RCSB PDB
PDBbind
99aa, >2UY0_1|Chains... at 100%
2wkz
RCSB PDB
PDBbind
99aa, >2WKZ_1|Chains... at 100%
2wl0
RCSB PDB
PDBbind
99aa, >2WL0_1|Chains... at 96%
2xye
RCSB PDB
PDBbind
99aa, >2XYE_1|Chains... at 96%
2xyf
RCSB PDB
PDBbind
99aa, >2XYF_1|Chains... at 96%
2zga
RCSB PDB
PDBbind
99aa, >2ZGA_1|Chain... at 100%
3bc4
RCSB PDB
PDBbind
99aa, >3BC4_1|Chain... at 98%
3bgb
RCSB PDB
PDBbind
99aa, >3BGB_1|Chains... at 100%
3bgc
RCSB PDB
PDBbind
99aa, >3BGC_1|Chains... at 100%
3ckt
RCSB PDB
PDBbind
99aa, >3CKT_1|Chains... at 100%
3ggv
RCSB PDB
PDBbind
99aa, >3GGV_1|Chains... at 100%
3kdb
RCSB PDB
PDBbind
99aa, >3KDB_1|Chains... at 96%
3kdc
RCSB PDB
PDBbind
99aa, >3KDC_1|Chains... at 96%
3kdd
RCSB PDB
PDBbind
99aa, >3KDD_1|Chains... at 96%
3lzs
RCSB PDB
PDBbind
99aa, >3LZS_1|Chains... at 91%
3lzu
RCSB PDB
PDBbind
99aa, >3LZU_1|Chains... at 90%
3s43
RCSB PDB
PDBbind
99aa, >3S43_2|Chain... at 91%
3s53
RCSB PDB
PDBbind
99aa, >3S53_1|Chains... at 91%
3s54
RCSB PDB
PDBbind
99aa, >3S54_1|Chains... at 91%
3s56
RCSB PDB
PDBbind
99aa, >3S56_1|Chains... at 91%
3th9
RCSB PDB
PDBbind
99aa, >3TH9_1|Chains... at 96%
3tkw
RCSB PDB
PDBbind
103aa, >3TKW_1|Chains... at 95%
3zps
RCSB PDB
PDBbind
99aa, >3ZPS_1|Chains... at 96%
3zpt
RCSB PDB
PDBbind
99aa, >3ZPT_1|Chains... at 96%
3zpu
RCSB PDB
PDBbind
99aa, >3ZPU_1|Chains... at 96%
4a4q
RCSB PDB
PDBbind
99aa, >4A4Q_1|Chains... at 96%
4a6b
RCSB PDB
PDBbind
99aa, >4A6B_1|Chains... at 96%
4a6c
RCSB PDB
PDBbind
99aa, >4A6C_1|Chains... at 96%
4cp7
RCSB PDB
PDBbind
99aa, >4CP7_1|Chains... at 96%
4cpq
RCSB PDB
PDBbind
99aa, >4CPQ_1|Chains... at 96%
4cpr
RCSB PDB
PDBbind
99aa, >4CPR_1|Chains... at 96%
4cps
RCSB PDB
PDBbind
99aa, >4CPS_1|Chains... at 96%
4cpt
RCSB PDB
PDBbind
99aa, >4CPT_1|Chains... at 96%
4cpu
RCSB PDB
PDBbind
99aa, >4CPU_1|Chains... at 96%
4cpw
RCSB PDB
PDBbind
99aa, >4CPW_1|Chains... at 96%
4cpx
RCSB PDB
PDBbind
99aa, >4CPX_1|Chains... at 96%
4fe6
RCSB PDB
PDBbind
99aa, >4FE6_1|Chain... at 100%
4hla
RCSB PDB
PDBbind
99aa, >4HLA_1|Chains... at 100%
4i8w
RCSB PDB
PDBbind
99aa, >4I8W_1|Chains... at 100%
4i8z
RCSB PDB
PDBbind
99aa, >4I8Z_1|Chains... at 100%
4mc1
RCSB PDB
PDBbind
99aa, >4MC1_1|Chains... at 96%
4mc2
RCSB PDB
PDBbind
99aa, >4MC2_1|Chains... at 96%
4mc6
RCSB PDB
PDBbind
99aa, >4MC6_1|Chains... at 96%
4mc9
RCSB PDB
PDBbind
99aa, >4MC9_1|Chains... at 96%
4qgi
RCSB PDB
PDBbind
99aa, >4QGI_1|Chains... at 97%
4u7q
RCSB PDB
PDBbind
99aa, >4U7Q_1|Chains... at 96%
4u7v
RCSB PDB
PDBbind
99aa, >4U7V_1|Chains... at 96%
5ivt
RCSB PDB
PDBbind
99aa, >5IVT_1|Chains... at 96%
5kqx
RCSB PDB
PDBbind
99aa, >5KQX_1|Chains... at 92%
5kqy
RCSB PDB
PDBbind
99aa, >5KQY_1|Chains... at 92%
5kr0
RCSB PDB
PDBbind
99aa, >5KR0_1|Chains... at 92%
5tyr
RCSB PDB
PDBbind
99aa, >5TYR_1|Chains... at 100%
5tys
RCSB PDB
PDBbind
99aa, >5TYS_1|Chains... at 100%
7upj
RCSB PDB
PDBbind
99aa, >7UPJ_1|Chains... at 100%
6otg
RCSB PDB
PDBbind
99aa, >6OTG_1|Chains... at 91%
6oot
RCSB PDB
PDBbind
99aa, >6OOT_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1at5
RCSB PDB
PDBbind
3-mer
1at6
RCSB PDB
PDBbind
3-mer
1b05
RCSB PDB
PDBbind
3-mer
1b0h
RCSB PDB
PDBbind
3-mer
1b1h
RCSB PDB
PDBbind
3-mer
1b2h
RCSB PDB
PDBbind
3-mer
1b32
RCSB PDB
PDBbind
3-mer
1b3f
RCSB PDB
PDBbind
3-mer
1b3g
RCSB PDB
PDBbind
3-mer
1b3h
RCSB PDB
PDBbind
3-mer
1b3l
RCSB PDB
PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
1b46
RCSB PDB
PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
1b4z
RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
1b58
RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
1b7h
RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
1m7d
RCSB PDB
PDBbind
3-mer
1mfa
RCSB PDB
PDBbind
3-mer
1mfd
RCSB PDB
PDBbind
3-mer
1nu8
RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
PDBbind
3-mer
1qka
RCSB PDB
PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
RCSB PDB
PDBbind
3-mer
1w3l
RCSB PDB
PDBbind
3-mer
1y3g
RCSB PDB
PDBbind
3-mer
2euk
RCSB PDB
PDBbind
3-mer
2eum
RCSB PDB
PDBbind
3-mer
2evl
RCSB PDB
PDBbind
3-mer
2jdh
RCSB PDB
PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
RCSB PDB
PDBbind
3-mer
2xdw
RCSB PDB
PDBbind
3-mer
2xg3
RCSB PDB
PDBbind
3-mer
2yjq
RCSB PDB
PDBbind
3-mer
3afk
RCSB PDB
PDBbind
3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
3ayd
RCSB PDB
PDBbind
3-mer
3g19
RCSB PDB
PDBbind
3-mer
3gxy
RCSB PDB
PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
3-mer
3m3o
RCSB PDB
PDBbind
3-mer
3mbp
RCSB PDB
PDBbind
3-mer
3rse
RCSB PDB
PDBbind
3-mer
3tcg
RCSB PDB
PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
4bh3
RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
PDBbind
3-mer
4d2d
RCSB PDB
PDBbind
3-mer
4dj7
RCSB PDB
PDBbind
3-mer
4g0a
RCSB PDB
PDBbind
3-mer
4g68
RCSB PDB
PDBbind
3-mer
4gzw
RCSB PDB
PDBbind
3-mer
4hpi
RCSB PDB
PDBbind
3-mer
4hxj
RCSB PDB
PDBbind
3-mer
4igq
RCSB PDB
PDBbind
3-mer
4je8
RCSB PDB
PDBbind
3-mer
4k64
RCSB PDB
PDBbind
3-mer
4k67
RCSB PDB
PDBbind
3-mer
4lbl
RCSB PDB
PDBbind
3-mer
4lbo
RCSB PDB
PDBbind
3-mer
4lkg
RCSB PDB
PDBbind
3-mer
4lkj
RCSB PDB
PDBbind
3-mer
4m7j
RCSB PDB
PDBbind
3-mer
5glu
RCSB PDB
PDBbind
3-mer
5mxo
RCSB PDB
PDBbind
3-mer
5t54
RCSB PDB
PDBbind
3-mer
5tpb
RCSB PDB
PDBbind
3-mer
5ufc
RCSB PDB
PDBbind
3-mer
5xhs
RCSB PDB
PDBbind
3-mer
6df1
RCSB PDB
PDBbind
3-mer
6df2
RCSB PDB
PDBbind
3-mer
6fhu
RCSB PDB
PDBbind
3-mer
6m9c
RCSB PDB
PDBbind
3-mer
6m9d
RCSB PDB
PDBbind
3-mer
6phx
RCSB PDB
PDBbind
3-mer
6p7p
RCSB PDB
PDBbind
3-mer
6k2n
RCSB PDB
PDBbind
3-mer
6iht
RCSB PDB
PDBbind
3-mer
6idz
RCSB PDB
PDBbind
3-mer
6idb
RCSB PDB
PDBbind
3-mer
Entry Information
PDB ID
1a30
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 protease
Ligand Name
3-mer
EC.Number
E.C.3.4.23.16
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=50uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v37 pp. 2105-10, 1998
Ligand Properties
Formula
C
1
5
H
2
6
N
3
O
8
Molecular Weight
376.382
Exact Mass
376.172
No. of atoms
52
No. of bonds
51
Polar Surface Area
197.74
LOGP Value
0.20 (
Computed with XLOGP3
)
-1.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 0
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CC(=O)O)C
InChI String
InChI=1S/C15H25N3O8/c1-7(2)5-10(15(25)26)18-14(24)9(6-12(21)22)17-13(23)8(16)3-4-11(19)20/h7-10H,3-6,16H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)(H,25,26)/p+1/t8-,9-,10-/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):
P04585
Entrez Gene ID
NCBI Entrez Gene ID:
155348
ASD
Information of known allosteric effects of PDB entries
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