Browse entries in the PDBbind-CN Database
HEADER 1HXW_COMPLEX COMPND 1HXW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN 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 LEU GLU GLU MET ASN 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 LEU 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 GLN 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 LEU GLU GLU MET ASN 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 LEU 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 RIT A 299 98 ATOM 1 N PRO A 1 29.071 39.248 5.491 1.00 36.45 N ATOM 2 CA PRO A 1 29.983 38.171 5.136 1.00 35.67 C ATOM 3 C PRO A 1 29.540 37.373 3.917 1.00 31.34 C ATOM 4 O PRO A 1 28.380 37.476 3.533 1.00 34.24 O ATOM 5 CB PRO A 1 30.126 37.270 6.375 1.00 35.64 C ATOM 6 CG PRO A 1 28.910 37.672 7.181 1.00 38.30 C ATOM 7 CD PRO A 1 28.927 39.170 6.913 1.00 39.93 C ATOM 8 HA PRO A 1 30.942 38.601 4.847 1.00 0.00 H ATOM 9 HD3 PRO A 1 27.997 39.636 7.238 1.00 0.00 H ATOM 10 HD2 PRO A 1 29.767 39.648 7.418 1.00 0.00 H ATOM 11 HG3 PRO A 1 29.029 37.445 8.240 1.00 0.00 H ATOM 12 HG2 PRO A 1 28.000 37.201 6.810 1.00 0.00 H ATOM 13 HB2 PRO A 1 30.095 36.214 6.106 1.00 0.00 H ATOM 14 HB3 PRO A 1 31.049 37.479 6.915 1.00 0.00 H ATOM 15 N GLN A 2 30.417 36.603 3.299 1.00 30.20 N ATOM 16 CA GLN A 2 30.037 35.792 2.165 1.00 32.99 C ATOM 17 C GLN A 2 30.067 34.364 2.629 1.00 33.44 C ATOM 18 O GLN A 2 31.097 33.938 3.141 1.00 34.15 O ATOM 19 CB GLN A 2 30.999 35.913 1.046 1.00 36.81 C ATOM 20 CG GLN A 2 30.349 35.299 -0.134 1.00 44.73 C ATOM 21 CD GLN A 2 31.238 35.322 -1.346 1.00 51.11 C ATOM 22 OE1 GLN A 2 32.218 34.584 -1.345 1.00 54.41 O ATOM 23 NE2 GLN A 2 30.989 36.146 -2.352 1.00 49.42 N ATOM 24 HA GLN A 2 29.058 36.115 1.810 1.00 0.00 H ATOM 25 HB2 GLN A 2 31.221 36.962 0.851 1.00 0.00 H ATOM 26 HB3 GLN A 2 31.923 35.386 1.284 1.00 0.00 H ATOM 27 HG2 GLN A 2 30.101 34.264 0.100 1.00 0.00 H ATOM 28 HG3 GLN A 2 29.435 35.849 -0.358 1.00 0.00 H ATOM 29 HE22 GLN A 2 30.150 36.760 -2.326 1.00 0.00 H ATOM 30 HE21 GLN A 2 31.632 36.179 -3.169 1.00 0.00 H ATOM 31 H GLN A 2 31.401 36.580 3.635 1.00 0.00 H ATOM 32 N ILE A 3 28.952 33.657 2.537 1.00 30.28 N ATOM 33 CA ILE A 3 28.864 32.290 3.024 1.00 26.83 C ATOM 34 C ILE A 3 28.747 31.269 1.863 1.00 25.88 C ATOM 35 O ILE A 3 27.788 31.410 1.070 1.00 22.73 O ATOM 36 CB ILE A 3 27.646 32.277 3.994 1.00 27.13 C ATOM 37 CG1 ILE A 3 27.885 33.296 5.129 1.00 27.34 C ATOM 38 CG2 ILE A 3 27.429 30.848 4.533 1.00 24.72 C ATOM 39 CD1 ILE A 3 26.899 33.242 6.316 1.00 31.20 C ATOM 40 HA ILE A 3 29.769 31.980 3.547 1.00 0.00 H ATOM 41 HB ILE A 3 26.738 32.571 3.468 1.00 0.00 H ATOM 42 HG12 ILE A 3 28.888 33.127 5.522 1.00 0.00 H ATOM 43 HG13 ILE A 3 27.830 34.295 4.696 1.00 0.00 H ATOM 44 HD11 ILE A 3 25.887 33.426 5.955 1.00 0.00 H ATOM 45 HD12 ILE A 3 26.946 32.257 6.781 1.00 0.00 H ATOM 46 HD13 ILE A 3 27.170 34.004 7.047 1.00 0.00 H ATOM 47 HG21 ILE A 3 27.237 30.172 3.700 1.00 0.00 H ATOM 48 HG22 ILE A 3 28.322 30.523 5.067 1.00 0.00 H ATOM 49 HG23 ILE A 3 26.576 30.843 5.211 1.00 0.00 H ATOM 50 H ILE A 3 28.113 34.093 2.103 1.00 0.00 H ATOM 51 N THR A 4 29.708 30.345 1.676 1.00 24.57 N ATOM 52 CA THR A 4 29.614 29.358 0.616 1.00 23.12 C ATOM 53 C THR A 4 28.807 28.229 1.263 1.00 19.99 C ATOM 54 O THR A 4 28.670 28.158 2.498 1.00 18.71 O ATOM 55 CB THR A 4 31.016 28.818 0.150 1.00 24.66 C ATOM 56 OG1 THR A 4 31.558 28.179 1.316 1.00 26.61 O ATOM 57 CG2 THR A 4 31.897 29.889 -0.520 1.00 25.79 C ATOM 58 HA THR A 4 29.164 29.778 -0.283 1.00 0.00 H ATOM 59 HB THR A 4 30.945 28.099 -0.666 1.00 0.00 H ATOM 60 HG1 THR A 4 32.451 27.808 1.103 1.00 0.00 H ATOM 61 HG23 THR A 4 31.377 30.295 -1.387 1.00 0.00 H ATOM 62 HG21 THR A 4 32.099 30.689 0.192 1.00 0.00 H ATOM 63 HG22 THR A 4 32.837 29.438 -0.837 1.00 0.00 H ATOM 64 H THR A 4 30.536 30.338 2.305 1.00 0.00 H ATOM 65 N LEU A 5 28.307 27.333 0.416 1.00 18.03 N ATOM 66 CA LEU A 5 27.380 26.343 0.819 1.00 15.42 C ATOM 67 C LEU A 5 27.964 24.942 0.781 1.00 16.45 C ATOM 68 O LEU A 5 27.277 23.946 0.690 1.00 11.79 O ATOM 69 CB LEU A 5 26.147 26.556 -0.092 1.00 13.75 C ATOM 70 CG LEU A 5 25.511 27.966 0.053 1.00 13.25 C ATOM 71 CD1 LEU A 5 24.443 28.269 -0.968 1.00 13.81 C ATOM 72 CD2 LEU A 5 24.963 28.006 1.453 1.00 13.27 C ATOM 73 HA LEU A 5 27.096 26.443 1.867 1.00 0.00 H ATOM 74 HB2 LEU A 5 26.455 26.420 -1.129 1.00 0.00 H ATOM 75 HB3 LEU A 5 25.395 25.809 0.163 1.00 0.00 H ATOM 76 HG LEU A 5 26.261 28.736 -0.129 1.00 0.00 H ATOM 77 HD21 LEU A 5 24.222 27.216 1.574 1.00 0.00 H ATOM 78 HD22 LEU A 5 25.775 27.856 2.164 1.00 0.00 H ATOM 79 HD23 LEU A 5 24.496 28.975 1.632 1.00 0.00 H ATOM 80 HD11 LEU A 5 24.872 28.212 -1.968 1.00 0.00 H ATOM 81 HD12 LEU A 5 23.636 27.542 -0.875 1.00 0.00 H ATOM 82 HD13 LEU A 5 24.052 29.272 -0.796 1.00 0.00 H ATOM 83 H LEU A 5 28.609 27.361 -0.579 1.00 0.00 H ATOM 84 N TRP A 6 29.282 24.824 0.761 1.00 16.26 N ATOM 85 CA TRP A 6 29.917 23.524 0.916 1.00 20.27 C ATOM 86 C TRP A 6 29.531 22.992 2.257 1.00 18.01 C ATOM 87 O TRP A 6 29.453 21.812 2.420 1.00 22.18 O ATOM 88 CB TRP A 6 31.405 23.575 0.944 1.00 15.79 C ATOM 89 CG TRP A 6 32.074 23.953 -0.361 1.00 18.64 C ATOM 90 CD1 TRP A 6 32.313 25.243 -0.779 1.00 19.76 C ATOM 91 CD2 TRP A 6 32.541 23.008 -1.227 1.00 19.91 C ATOM 92 NE1 TRP A 6 32.916 25.104 -1.917 1.00 20.00 N ATOM 93 CE2 TRP A 6 33.086 23.797 -2.235 1.00 22.63 C ATOM 94 CE3 TRP A 6 32.574 21.616 -1.268 1.00 21.29 C ATOM 95 CZ2 TRP A 6 33.692 23.127 -3.316 1.00 24.23 C ATOM 96 CZ3 TRP A 6 33.172 20.967 -2.342 1.00 23.22 C ATOM 97 CH2 TRP A 6 33.737 21.723 -3.362 1.00 21.93 C ATOM 98 HA TRP A 6 29.597 22.923 0.064 1.00 0.00 H ATOM 99 HB2 TRP A 6 31.701 24.306 1.696 1.00 0.00 H ATOM 100 HB3 TRP A 6 31.769 22.589 1.234 1.00 0.00 H ATOM 101 HE1 TRP A 6 33.231 25.896 -2.513 1.00 0.00 H ATOM 102 HD1 TRP A 6 32.054 26.170 -0.268 1.00 0.00 H ATOM 103 HZ2 TRP A 6 34.132 23.706 -4.128 1.00 0.00 H ATOM 104 HH2 TRP A 6 34.218 21.224 -4.203 1.00 0.00 H ATOM 105 HZ3 TRP A 6 33.197 19.878 -2.384 1.00 0.00 H ATOM 106 HE3 TRP A 6 32.131 21.036 -0.458 1.00 0.00 H ATOM 107 H TRP A 6 29.871 25.671 0.633 1.00 0.00 H ATOM 108 N GLN A 7 29.262 23.791 3.255 1.00 18.43 N ATOM 109 CA GLN A 7 28.827 23.345 4.541 1.00 18.15 C ATOM 110 C GLN A 7 27.530 24.042 4.830 1.00 16.06 C ATOM 111 O GLN A 7 27.108 24.948 4.137 1.00 18.09 O ATOM 112 CB GLN A 7 29.818 23.723 5.608 1.00 28.80 C ATOM 113 CG GLN A 7 31.200 23.111 5.391 1.00 44.09 C ATOM 114 CD GLN A 7 32.375 23.984 5.867 1.00 53.77 C ATOM 115 OE1 GLN A 7 32.568 25.167 5.554 1.00 61.48 O ATOM 116 NE2 GLN A 7 33.255 23.399 6.646 1.00 56.32 N ATOM 117 HA GLN A 7 28.723 22.260 4.539 1.00 0.00 H ATOM 118 HB2 GLN A 7 29.918 24.808 5.620 1.00 0.00 H ATOM 119 HB3 GLN A 7 29.436 23.384 6.571 1.00 0.00 H ATOM 120 HG2 GLN A 7 31.240 22.164 5.930 1.00 0.00 H ATOM 121 HG3 GLN A 7 31.325 22.926 4.324 1.00 0.00 H ATOM 122 HE22 GLN A 7 33.122 22.407 6.927 1.00 0.00 H ATOM 123 HE21 GLN A 7 34.085 23.928 6.982 1.00 0.00 H ATOM 124 H GLN A 7 29.371 24.814 3.104 1.00 0.00 H ATOM 125 N ARG A 8 26.834 23.541 5.844 1.00 18.56 N ATOM 126 CA ARG A 8 25.590 24.126 6.309 1.00 19.32 C ATOM 127 C ARG A 8 25.877 25.558 6.729 1.00 20.01 C ATOM 128 O ARG A 8 26.858 25.719 7.478 1.00 18.56 O ATOM 129 CB ARG A 8 25.039 23.350 7.512 1.00 21.88 C ATOM 130 CG ARG A 8 24.307 22.051 7.237 1.00 29.35 C ATOM 131 CD ARG A 8 23.948 21.359 8.528 1.00 39.12 C ATOM 132 NE ARG A 8 22.815 20.429 8.288 1.00 52.84 N ATOM 133 CZ ARG A 8 21.927 20.143 9.268 1.00 64.39 C ATOM 134 NH1 ARG A 8 21.979 20.814 10.472 1.00 70.05 N ATOM 135 NH2 ARG A 8 20.873 19.330 9.064 1.00 68.82 N ATOM 136 HA ARG A 8 24.849 24.090 5.510 1.00 0.00 H ATOM 137 HB2 ARG A 8 25.881 23.118 8.164 1.00 0.00 H ATOM 138 HB3 ARG A 8 24.347 24.009 8.036 1.00 0.00 H ATOM 139 HG2 ARG A 8 23.395 22.265 6.679 1.00 0.00 H ATOM 140 HG3 ARG A 8 24.948 21.397 6.646 1.00 0.00 H ATOM 141 HD2 ARG A 8 23.659 22.102 9.271 1.00 0.00 H ATOM 142 HD3 ARG A 8 24.809 20.798 8.893 1.00 0.00 H ATOM 143 HE ARG A 8 22.702 19.991 7.352 1.00 0.00 H ATOM 144 HH12 ARG A 8 21.294 20.590 11.222 1.00 0.00 H ATOM 145 HH11 ARG A 8 22.703 21.544 10.630 1.00 0.00 H ATOM 146 HH22 ARG A 8 20.211 19.133 9.841 1.00 0.00 H ATOM 147 HH21 ARG A 8 20.721 18.900 8.129 1.00 0.00 H ATOM 148 H ARG A 8 27.196 22.693 6.325 1.00 0.00 H ATOM 149 N PRO A 9 25.098 26.578 6.301 1.00 21.99 N ATOM 150 CA PRO A 9 25.313 27.964 6.736 1.00 22.09 C ATOM 151 C PRO A 9 24.826 28.218 8.188 1.00 19.31 C ATOM 152 O PRO A 9 23.773 28.799 8.452 1.00 20.50 O ATOM 153 CB PRO A 9 24.615 28.683 5.600 1.00 19.79 C ATOM 154 CG PRO A 9 23.436 27.844 5.214 1.00 19.75 C ATOM 155 CD PRO A 9 23.983 26.446 5.332 1.00 19.39 C ATOM 156 HA PRO A 9 26.341 28.305 6.860 1.00 0.00 H ATOM 157 HD3 PRO A 9 23.222 25.762 5.707 1.00 0.00 H ATOM 158 HD2 PRO A 9 24.347 26.089 4.368 1.00 0.00 H ATOM 159 HG3 PRO A 9 23.116 28.058 4.194 1.00 0.00 H ATOM 160 HG2 PRO A 9 22.600 28.000 5.896 1.00 0.00 H ATOM 161 HB2 PRO A 9 24.283 29.668 5.927 1.00 0.00 H ATOM 162 HB3 PRO A 9 25.292 28.792 4.753 1.00 0.00 H ATOM 163 N LEU A 10 25.537 27.724 9.201 1.00 21.47 N ATOM 164 CA LEU A 10 25.190 27.845 10.613 1.00 23.14 C ATOM 165 C LEU A 10 25.903 29.023 11.161 1.00 24.04 C ATOM 166 O LEU A 10 27.077 29.149 10.844 1.00 27.14 O ATOM 167 CB LEU A 10 25.645 26.677 11.404 1.00 26.15 C ATOM 168 CG LEU A 10 24.758 25.526 11.201 1.00 29.78 C ATOM 169 CD1 LEU A 10 25.583 24.282 11.370 1.00 36.55 C ATOM 170 CD2 LEU A 10 23.599 25.621 12.150 1.00 32.86 C ATOM 171 HA LEU A 10 24.105 27.925 10.681 1.00 0.00 H ATOM 172 HB2 LEU A 10 26.655 26.408 11.094 1.00 0.00 H ATOM 173 HB3 LEU A 10 25.649 26.942 12.461 1.00 0.00 H ATOM 174 HG LEU A 10 24.326 25.504 10.201 1.00 0.00 H ATOM 175 HD21 LEU A 10 23.969 25.621 13.175 1.00 0.00 H ATOM 176 HD22 LEU A 10 23.050 26.544 11.960 1.00 0.00 H ATOM 177 HD23 LEU A 10 22.938 24.767 12.001 1.00 0.00 H ATOM 178 HD11 LEU A 10 26.387 24.278 10.634 1.00 0.00 H ATOM 179 HD12 LEU A 10 26.008 24.263 12.374 1.00 0.00 H ATOM 180 HD13 LEU A 10 24.951 23.406 11.225 1.00 0.00 H ATOM 181 H LEU A 10 26.410 27.210 8.966 1.00 0.00 H ATOM 182 N VAL A 11 25.198 29.866 11.930 1.00 23.25 N ATOM 183 CA VAL A 11 25.693 31.151 12.494 1.00 23.13 C ATOM 184 C VAL A 11 25.242 31.179 13.928 1.00 21.37 C ATOM 185 O VAL A 11 24.309 30.462 14.324 1.00 21.13 O ATOM 186 CB VAL A 11 25.086 32.477 11.827 1.00 21.35 C ATOM 187 CG1 VAL A 11 25.430 32.458 10.362 1.00 21.78 C ATOM 188 CG2 VAL A 11 23.563 32.604 11.972 1.00 20.71 C ATOM 189 HA VAL A 11 26.770 31.170 12.325 1.00 0.00 H ATOM 190 HB VAL A 11 25.520 33.330 12.349 1.00 0.00 H ATOM 191 HG11 VAL A 11 26.513 32.438 10.245 1.00 0.00 H ATOM 192 HG12 VAL A 11 24.997 31.571 9.900 1.00 0.00 H ATOM 193 HG13 VAL A 11 25.028 33.351 9.884 1.00 0.00 H ATOM 194 HG21 VAL A 11 23.081 31.751 11.493 1.00 0.00 H ATOM 195 HG22 VAL A 11 23.300 32.625 13.030 1.00 0.00 H ATOM 196 HG23 VAL A 11 23.230 33.526 11.496 1.00 0.00 H ATOM 197 H VAL A 11 24.218 29.598 12.152 1.00 0.00 H ATOM 198 N THR A 12 25.863 32.007 14.709 1.00 22.45 N ATOM 199 CA THR A 12 25.385 32.213 16.048 1.00 25.16 C ATOM 200 C THR A 12 24.299 33.271 16.134 1.00 24.28 C ATOM 201 O THR A 12 24.376 34.309 15.478 1.00 27.42 O ATOM 202 CB THR A 12 26.588 32.573 16.951 1.00 27.38 C ATOM 203 OG1 THR A 12 27.523 31.496 16.836 1.00 28.64 O ATOM 204 CG2 THR A 12 26.199 32.668 18.435 1.00 29.73 C ATOM 205 HA THR A 12 24.920 31.289 16.391 1.00 0.00 H ATOM 206 HB THR A 12 26.983 33.539 16.636 1.00 0.00 H ATOM 207 HG1 THR A 12 28.314 31.685 17.401 1.00 0.00 H ATOM 208 HG23 THR A 12 25.484 33.480 18.571 1.00 0.00 H ATOM 209 HG21 THR A 12 25.748 31.728 18.752 1.00 0.00 H ATOM 210 HG22 THR A 12 27.090 32.864 19.031 1.00 0.00 H ATOM 211 H THR A 12 26.702 32.519 14.368 1.00 0.00 H ATOM 212 N ILE A 13 23.214 33.037 16.855 1.00 26.19 N ATOM 213 CA ILE A 13 22.179 34.029 17.057 1.00 26.42 C ATOM 214 C ILE A 13 22.174 34.384 18.537 1.00 29.26 C ATOM 215 O ILE A 13 22.518 33.503 19.353 1.00 25.78 O ATOM 216 CB ILE A 13 20.738 33.534 16.710 1.00 25.30 C ATOM 217 CG1 ILE A 13 20.331 32.241 17.416 1.00 21.75 C ATOM 218 CG2 ILE A 13 20.718 33.401 15.211 1.00 24.96 C ATOM 219 CD1 ILE A 13 18.804 31.976 17.372 1.00 27.62 C ATOM 220 HA ILE A 13 22.408 34.863 16.394 1.00 0.00 H ATOM 221 HB ILE A 13 19.996 34.247 17.070 1.00 0.00 H ATOM 222 HG12 ILE A 13 20.842 31.407 16.934 1.00 0.00 H ATOM 223 HG13 ILE A 13 20.642 32.302 18.459 1.00 0.00 H ATOM 224 HD11 ILE A 13 18.280 32.798 17.860 1.00 0.00 H ATOM 225 HD12 ILE A 13 18.479 31.902 16.334 1.00 0.00 H ATOM 226 HD13 ILE A 13 18.583 31.043 17.891 1.00 0.00 H ATOM 227 HG21 ILE A 13 20.930 34.370 14.759 1.00 0.00 H ATOM 228 HG22 ILE A 13 21.475 32.681 14.901 1.00 0.00 H ATOM 229 HG23 ILE A 13 19.735 33.056 14.891 1.00 0.00 H ATOM 230 H ILE A 13 23.100 32.101 17.295 1.00 0.00 H ATOM 231 N LYS A 14 21.756 35.599 18.886 1.00 28.37 N ATOM 232 CA LYS A 14 21.598 35.921 20.275 1.00 28.73 C ATOM 233 C LYS A 14 20.141 36.254 20.369 1.00 26.19 C ATOM 234 O LYS A 14 19.623 37.092 19.609 1.00 24.95 O ATOM 235 CB LYS A 14 22.441 37.086 20.613 1.00 38.13 C ATOM 236 CG LYS A 14 22.578 37.168 22.114 1.00 49.08 C ATOM 237 CD LYS A 14 23.310 38.437 22.583 1.00 54.54 C ATOM 238 CE LYS A 14 24.547 38.940 21.778 1.00 63.02 C ATOM 239 NZ LYS A 14 25.652 38.011 21.547 1.00 65.91 N ATOM 240 HA LYS A 14 21.893 35.126 20.959 1.00 0.00 H ATOM 241 HB2 LYS A 14 23.426 36.970 20.161 1.00 0.00 H ATOM 242 HB3 LYS A 14 21.975 37.997 20.237 1.00 0.00 H ATOM 243 HG2 LYS A 14 21.581 37.159 22.555 1.00 0.00 H ATOM 244 HG3 LYS A 14 23.135 36.297 22.460 1.00 0.00 H ATOM 245 HD2 LYS A 14 22.579 39.246 22.583 1.00 0.00 H ATOM 246 HD3 LYS A 14 23.646 38.253 23.603 1.00 0.00 H ATOM 247 HE2 LYS A 14 24.954 39.798 22.314 1.00 0.00 H ATOM 248 HE3 LYS A 14 24.187 39.262 20.801 1.00 0.00 H ATOM 249 HZ1 LYS A 14 26.038 37.699 22.461 1.00 0.00 H ATOM 250 HZ2 LYS A 14 25.305 37.187 21.016 1.00 0.00 H ATOM 251 HZ3 LYS A 14 26.397 38.489 21.000 1.00 0.00 H ATOM 252 H LYS A 14 21.545 36.310 18.157 1.00 0.00 H ATOM 253 N ILE A 15 19.463 35.524 21.266 1.00 28.29 N ATOM 254 CA ILE A 15 18.002 35.618 21.414 1.00 30.70 C ATOM 255 C ILE A 15 17.641 35.358 22.844 1.00 34.10 C ATOM 256 O ILE A 15 18.103 34.352 23.381 1.00 37.43 O ATOM 257 CB ILE A 15 17.258 34.580 20.512 1.00 28.66 C ATOM 258 CG1 ILE A 15 15.854 34.586 20.920 1.00 26.90 C ATOM 259 CG2 ILE A 15 17.816 33.166 20.619 1.00 27.83 C ATOM 260 CD1 ILE A 15 14.921 34.308 19.778 1.00 24.15 C ATOM 261 HA ILE A 15 17.696 36.618 21.106 1.00 0.00 H ATOM 262 HB ILE A 15 17.391 34.872 19.470 1.00 0.00 H ATOM 263 HG12 ILE A 15 15.709 33.822 21.684 1.00 0.00 H ATOM 264 HG13 ILE A 15 15.615 35.565 21.336 1.00 0.00 H ATOM 265 HD11 ILE A 15 15.051 35.071 19.010 1.00 0.00 H ATOM 266 HD12 ILE A 15 15.144 33.327 19.358 1.00 0.00 H ATOM 267 HD13 ILE A 15 13.892 34.325 20.138 1.00 0.00 H ATOM 268 HG21 ILE A 15 18.864 33.167 20.319 1.00 0.00 H ATOM 269 HG22 ILE A 15 17.732 32.821 21.650 1.00 0.00 H ATOM 270 HG23 ILE A 15 17.250 32.503 19.965 1.00 0.00 H ATOM 271 H ILE A 15 19.988 34.868 21.879 1.00 0.00 H ATOM 272 N GLY A 16 16.882 36.245 23.482 1.00 37.74 N ATOM 273 CA GLY A 16 16.447 36.085 24.875 1.00 43.34 C ATOM 274 C GLY A 16 17.597 35.744 25.842 1.00 44.56 C ATOM 275 O GLY A 16 17.499 34.835 26.691 1.00 46.24 O ATOM 276 HA3 GLY A 16 15.711 35.282 24.917 1.00 0.00 H ATOM 277 HA2 GLY A 16 15.986 37.017 25.202 1.00 0.00 H ATOM 278 H GLY A 16 16.581 37.097 22.967 1.00 0.00 H ATOM 279 N GLY A 17 18.695 36.507 25.614 1.00 45.10 N ATOM 280 CA GLY A 17 19.977 36.421 26.312 1.00 45.02 C ATOM 281 C GLY A 17 20.763 35.129 26.090 1.00 47.21 C ATOM 282 O GLY A 17 21.757 34.928 26.796 1.00 48.99 O ATOM 283 HA3 GLY A 17 19.785 36.518 27.381 1.00 0.00 H ATOM 284 HA2 GLY A 17 20.597 37.253 25.979 1.00 0.00 H ATOM 285 H GLY A 17 18.617 37.226 24.867 1.00 0.00 H ATOM 286 N GLN A 18 20.424 34.193 25.188 1.00 46.59 N ATOM 287 CA GLN A 18 21.211 32.994 25.029 1.00 41.59 C ATOM 288 C GLN A 18 21.752 33.011 23.618 1.00 36.38 C ATOM 289 O GLN A 18 21.158 33.548 22.684 1.00 34.21 O ATOM 290 CB GLN A 18 20.312 31.804 25.296 1.00 46.62 C ATOM 291 CG GLN A 18 19.857 31.703 26.762 1.00 56.16 C ATOM 292 CD GLN A 18 18.541 30.933 27.001 1.00 64.34 C ATOM 293 OE1 GLN A 18 18.309 29.795 26.559 1.00 65.71 O ATOM 294 NE2 GLN A 18 17.586 31.489 27.745 1.00 68.16 N ATOM 295 HA GLN A 18 22.049 32.933 25.724 1.00 0.00 H ATOM 296 HB2 GLN A 18 19.428 31.889 24.664 1.00 0.00 H ATOM 297 HB3 GLN A 18 20.855 30.895 25.038 1.00 0.00 H ATOM 298 HG2 GLN A 18 20.645 31.203 27.324 1.00 0.00 H ATOM 299 HG3 GLN A 18 19.727 32.716 27.144 1.00 0.00 H ATOM 300 HE22 GLN A 18 17.724 32.440 28.142 1.00 0.00 H ATOM 301 HE21 GLN A 18 16.703 30.972 27.929 1.00 0.00 H ATOM 302 H GLN A 18 19.581 34.335 24.595 1.00 0.00 H ATOM 303 N LEU A 19 22.953 32.503 23.474 1.00 33.19 N ATOM 304 CA LEU A 19 23.511 32.354 22.154 1.00 32.72 C ATOM 305 C LEU A 19 23.096 30.990 21.630 1.00 33.84 C ATOM 306 O LEU A 19 23.169 29.990 22.358 1.00 32.05 O ATOM 307 CB LEU A 19 25.002 32.429 22.212 1.00 32.54 C ATOM 308 CG LEU A 19 25.510 33.769 22.619 1.00 34.25 C ATOM 309 CD1 LEU A 19 26.948 33.719 22.964 1.00 35.42 C ATOM 310 CD2 LEU A 19 25.321 34.694 21.465 1.00 34.19 C ATOM 311 HA LEU A 19 23.150 33.150 21.502 1.00 0.00 H ATOM 312 HB2 LEU A 19 25.358 31.691 22.931 1.00 0.00 H ATOM 313 HB3 LEU A 19 25.399 32.194 21.225 1.00 0.00 H ATOM 314 HG LEU A 19 24.965 34.108 23.500 1.00 0.00 H ATOM 315 HD21 LEU A 19 25.879 34.321 20.607 1.00 0.00 H ATOM 316 HD22 LEU A 19 24.262 34.749 21.215 1.00 0.00 H ATOM 317 HD23 LEU A 19 25.685 35.686 21.733 1.00 0.00 H ATOM 318 HD11 LEU A 19 27.098 33.026 23.791 1.00 0.00 H ATOM 319 HD12 LEU A 19 27.517 33.381 22.098 1.00 0.00 H ATOM 320 HD13 LEU A 19 27.285 34.714 23.256 1.00 0.00 H ATOM 321 H LEU A 19 23.500 32.209 24.309 1.00 0.00 H ATOM 322 N LYS A 20 22.573 30.910 20.415 1.00 31.89 N ATOM 323 CA LYS A 20 22.207 29.648 19.840 1.00 29.73 C ATOM 324 C LYS A 20 22.869 29.543 18.495 1.00 27.75 C ATOM 325 O LYS A 20 23.407 30.496 17.955 1.00 24.82 O ATOM 326 CB LYS A 20 20.724 29.589 19.710 1.00 32.99 C ATOM 327 CG LYS A 20 20.212 29.359 21.070 1.00 36.18 C ATOM 328 CD LYS A 20 18.785 28.970 21.101 1.00 45.14 C ATOM 329 CE LYS A 20 18.593 28.679 22.579 1.00 52.61 C ATOM 330 NZ LYS A 20 17.237 28.271 22.923 1.00 60.73 N ATOM 331 HA LYS A 20 22.530 28.817 20.467 1.00 0.00 H ATOM 332 HB2 LYS A 20 20.340 30.529 19.313 1.00 0.00 H ATOM 333 HB3 LYS A 20 20.433 28.771 19.051 1.00 0.00 H ATOM 334 HG2 LYS A 20 20.798 28.563 21.530 1.00 0.00 H ATOM 335 HG3 LYS A 20 20.333 30.277 21.645 1.00 0.00 H ATOM 336 HD2 LYS A 20 18.141 29.783 20.766 1.00 0.00 H ATOM 337 HD3 LYS A 20 18.598 28.086 20.491 1.00 0.00 H ATOM 338 HE2 LYS A 20 18.835 29.580 23.142 1.00 0.00 H ATOM 339 HE3 LYS A 20 19.276 27.879 22.864 1.00 0.00 H ATOM 340 HZ1 LYS A 20 16.573 29.029 22.667 1.00 0.00 H ATOM 341 HZ2 LYS A 20 16.994 27.405 22.402 1.00 0.00 H ATOM 342 HZ3 LYS A 20 17.180 28.089 23.945 1.00 0.00 H ATOM 343 H LYS A 20 22.425 31.781 19.867 1.00 0.00 H ATOM 344 N GLU A 21 22.803 28.389 17.889 1.00 26.72 N ATOM 345 CA GLU A 21 23.450 28.145 16.618 1.00 28.53 C ATOM 346 C GLU A 21 22.243 28.053 15.685 1.00 24.82 C ATOM 347 O GLU A 21 21.253 27.417 16.097 1.00 22.99 O ATOM 348 CB GLU A 21 24.150 26.816 16.700 1.00 39.67 C ATOM 349 CG GLU A 21 25.151 26.513 15.622 1.00 58.04 C ATOM 350 CD GLU A 21 26.575 27.052 15.834 1.00 69.61 C ATOM 351 OE1 GLU A 21 26.787 28.058 16.543 1.00 76.43 O ATOM 352 OE2 GLU A 21 27.486 26.439 15.258 1.00 76.42 O ATOM 353 HA GLU A 21 24.188 28.886 16.310 1.00 0.00 H ATOM 354 HB2 GLU A 21 24.672 26.776 17.656 1.00 0.00 H ATOM 355 HB3 GLU A 21 23.387 26.038 16.671 1.00 0.00 H ATOM 356 HG2 GLU A 21 25.218 25.429 15.528 1.00 0.00 H ATOM 357 HG3 GLU A 21 24.773 26.935 14.691 1.00 0.00 H ATOM 358 H GLU A 21 22.267 27.618 18.335 1.00 0.00 H ATOM 359 N ALA A 22 22.172 28.605 14.483 1.00 22.55 N ATOM 360 CA ALA A 22 20.970 28.391 13.679 1.00 19.12 C ATOM 361 C ALA A 22 21.378 28.449 12.231 1.00 17.58 C ATOM 362 O ALA A 22 22.419 28.989 11.840 1.00 17.02 O ATOM 363 CB ALA A 22 19.913 29.450 13.977 1.00 17.34 C ATOM 364 HA ALA A 22 20.529 27.423 13.917 1.00 0.00 H ATOM 365 HB1 ALA A 22 19.640 29.403 15.031 1.00 0.00 H ATOM 366 HB2 ALA A 22 20.315 30.437 13.748 1.00 0.00 H ATOM 367 HB3 ALA A 22 19.031 29.264 13.364 1.00 0.00 H ATOM 368 H ALA A 22 22.957 29.180 14.118 1.00 0.00 H ATOM 369 N LEU A 23 20.534 27.822 11.440 1.00 16.35 N ATOM 370 CA LEU A 23 20.815 27.673 10.058 1.00 15.78 C ATOM 371 C LEU A 23 20.315 28.849 9.251 1.00 16.18 C ATOM 372 O LEU A 23 19.163 29.192 9.440 1.00 16.48 O ATOM 373 CB LEU A 23 20.173 26.363 9.714 1.00 16.85 C ATOM 374 CG LEU A 23 20.244 25.799 8.339 1.00 22.07 C ATOM 375 CD1 LEU A 23 21.649 25.411 8.062 1.00 20.88 C ATOM 376 CD2 LEU A 23 19.496 24.475 8.274 1.00 20.60 C ATOM 377 HA LEU A 23 21.879 27.663 9.823 1.00 0.00 H ATOM 378 HB2 LEU A 23 20.618 25.619 10.375 1.00 0.00 H ATOM 379 HB3 LEU A 23 19.114 26.468 9.949 1.00 0.00 H ATOM 380 HG LEU A 23 19.841 26.543 7.652 1.00 0.00 H ATOM 381 HD21 LEU A 23 19.946 23.770 8.973 1.00 0.00 H ATOM 382 HD22 LEU A 23 18.451 24.636 8.541 1.00 0.00 H ATOM 383 HD23 LEU A 23 19.557 24.074 7.262 1.00 0.00 H ATOM 384 HD11 LEU A 23 22.289 26.290 8.138 1.00 0.00 H ATOM 385 HD12 LEU A 23 21.968 24.664 8.788 1.00 0.00 H ATOM 386 HD13 LEU A 23 21.718 24.995 7.057 1.00 0.00 H ATOM 387 H LEU A 23 19.653 27.432 11.832 1.00 0.00 H ATOM 388 N LEU A 24 21.036 29.534 8.358 1.00 17.29 N ATOM 389 CA LEU A 24 20.420 30.540 7.505 1.00 16.10 C ATOM 390 C LEU A 24 19.680 29.834 6.391 1.00 14.73 C ATOM 391 O LEU A 24 20.277 29.251 5.469 1.00 15.98 O ATOM 392 CB LEU A 24 21.459 31.496 6.899 1.00 17.00 C ATOM 393 CG LEU A 24 22.331 32.262 7.914 1.00 19.79 C ATOM 394 CD1 LEU A 24 23.282 33.163 7.123 1.00 19.44 C ATOM 395 CD2 LEU A 24 21.470 32.998 8.926 1.00 16.28 C ATOM 396 HA LEU A 24 19.740 31.137 8.113 1.00 0.00 H ATOM 397 HB2 LEU A 24 22.122 30.911 6.261 1.00 0.00 H ATOM 398 HB3 LEU A 24 20.927 32.229 6.293 1.00 0.00 H ATOM 399 HG LEU A 24 22.934 31.581 8.515 1.00 0.00 H ATOM 400 HD21 LEU A 24 20.830 33.711 8.406 1.00 0.00 H ATOM 401 HD22 LEU A 24 20.853 32.280 9.466 1.00 0.00 H ATOM 402 HD23 LEU A 24 22.112 33.529 9.629 1.00 0.00 H ATOM 403 HD11 LEU A 24 23.906 32.549 6.473 1.00 0.00 H ATOM 404 HD12 LEU A 24 22.702 33.860 6.519 1.00 0.00 H ATOM 405 HD13 LEU A 24 23.914 33.719 7.816 1.00 0.00 H ATOM 406 H LEU A 24 22.055 29.345 8.271 1.00 0.00 H ATOM 407 N ASP A 25 18.373 29.903 6.445 1.00 14.72 N ATOM 408 CA ASP A 25 17.532 29.120 5.530 1.00 14.73 C ATOM 409 C ASP A 25 16.606 29.856 4.522 1.00 12.62 C ATOM 410 O ASP A 25 15.500 30.326 4.814 1.00 12.60 O ATOM 411 CB ASP A 25 16.761 28.213 6.442 1.00 13.65 C ATOM 412 CG ASP A 25 16.007 27.086 5.756 1.00 20.56 C ATOM 413 OD1 ASP A 25 15.938 26.981 4.533 1.00 15.86 O ATOM 414 OD2 ASP A 25 15.437 26.310 6.491 1.00 23.23 O ATOM 415 HA ASP A 25 18.191 28.627 4.815 1.00 0.00 H ATOM 416 HB2 ASP A 25 17.464 27.768 7.147 1.00 0.00 H ATOM 417 HB3 ASP A 25 16.037 28.819 6.987 1.00 0.00 H ATOM 418 H ASP A 25 17.923 30.523 7.148 1.00 0.00 H ATOM 419 N THR A 26 17.012 29.925 3.262 1.00 14.62 N ATOM 420 CA THR A 26 16.244 30.615 2.230 1.00 15.49 C ATOM 421 C THR A 26 14.973 29.898 1.841 1.00 14.90 C ATOM 422 O THR A 26 14.067 30.451 1.237 1.00 15.51 O ATOM 423 CB THR A 26 17.128 30.826 1.000 1.00 15.52 C ATOM 424 OG1 THR A 26 17.566 29.586 0.500 1.00 10.98 O ATOM 425 CG2 THR A 26 18.309 31.751 1.397 1.00 11.58 C ATOM 426 HA THR A 26 15.934 31.572 2.650 1.00 0.00 H ATOM 427 HB THR A 26 16.566 31.307 0.199 1.00 0.00 H ATOM 428 HG1 THR A 26 16.781 29.038 0.246 1.00 0.00 H ATOM 429 HG23 THR A 26 17.918 32.695 1.777 1.00 0.00 H ATOM 430 HG21 THR A 26 18.905 31.266 2.170 1.00 0.00 H ATOM 431 HG22 THR A 26 18.931 31.940 0.522 1.00 0.00 H ATOM 432 H THR A 26 17.910 29.471 2.999 1.00 0.00 H ATOM 433 N GLY A 27 14.864 28.659 2.220 1.00 13.35 N ATOM 434 CA GLY A 27 13.709 27.881 1.909 1.00 9.04 C ATOM 435 C GLY A 27 12.751 27.876 3.047 1.00 12.26 C ATOM 436 O GLY A 27 11.752 27.202 2.920 1.00 15.67 O ATOM 437 HA3 GLY A 27 14.015 26.857 1.695 1.00 0.00 H ATOM 438 HA2 GLY A 27 13.219 28.303 1.032 1.00 0.00 H ATOM 439 H GLY A 27 15.637 28.225 2.763 1.00 0.00 H ATOM 440 N ALA A 28 12.918 28.570 4.189 1.00 12.61 N ATOM 441 CA ALA A 28 11.861 28.582 5.228 1.00 11.92 C ATOM 442 C ALA A 28 11.164 29.968 5.185 1.00 15.07 C ATOM 443 O ALA A 28 11.829 31.029 5.217 1.00 13.87 O ATOM 444 CB ALA A 28 12.525 28.391 6.574 1.00 10.33 C ATOM 445 HA ALA A 28 11.129 27.792 5.060 1.00 0.00 H ATOM 446 HB1 ALA A 28 13.053 27.438 6.585 1.00 0.00 H ATOM 447 HB2 ALA A 28 13.233 29.202 6.747 1.00 0.00 H ATOM 448 HB3 ALA A 28 11.766 28.396 7.356 1.00 0.00 H ATOM 449 H ALA A 28 13.798 29.103 4.343 1.00 0.00 H ATOM 450 N ASP A 29 9.871 30.052 5.029 1.00 14.74 N ATOM 451 CA ASP A 29 9.263 31.351 5.196 1.00 18.25 C ATOM 452 C ASP A 29 9.444 31.931 6.591 1.00 17.38 C ATOM 453 O ASP A 29 9.559 33.125 6.764 1.00 15.61 O ATOM 454 CB ASP A 29 7.801 31.299 5.016 1.00 18.95 C ATOM 455 CG ASP A 29 7.306 30.997 3.633 1.00 18.46 C ATOM 456 OD1 ASP A 29 8.082 30.737 2.730 1.00 17.76 O ATOM 457 OD2 ASP A 29 6.095 31.027 3.509 1.00 18.56 O ATOM 458 HA ASP A 29 9.763 31.963 4.445 1.00 0.00 H ATOM 459 HB2 ASP A 29 7.412 30.529 5.682 1.00 0.00 H ATOM 460 HB3 ASP A 29 7.397 32.268 5.308 1.00 0.00 H ATOM 461 H ASP A 29 9.300 29.215 4.793 1.00 0.00 H ATOM 462 N ASP A 30 9.468 31.037 7.575 1.00 16.65 N ATOM 463 CA ASP A 30 9.399 31.352 8.981 1.00 17.93 C ATOM 464 C ASP A 30 10.669 31.004 9.697 1.00 15.32 C ATOM 465 O ASP A 30 11.503 30.246 9.183 1.00 17.24 O ATOM 466 CB ASP A 30 8.218 30.587 9.589 1.00 18.49 C ATOM 467 CG ASP A 30 6.828 30.895 9.046 1.00 24.59 C ATOM 468 OD1 ASP A 30 6.356 32.046 8.948 1.00 27.49 O ATOM 469 OD2 ASP A 30 6.199 29.920 8.689 1.00 34.48 O ATOM 470 HA ASP A 30 9.258 32.427 9.095 1.00 0.00 H ATOM 471 HB2 ASP A 30 8.402 29.524 9.433 1.00 0.00 H ATOM 472 HB3 ASP A 30 8.206 30.800 10.658 1.00 0.00 H ATOM 473 H ASP A 30 9.542 30.034 7.311 1.00 0.00 H ATOM 474 N THR A 31 10.841 31.624 10.862 1.00 16.05 N ATOM 475 CA THR A 31 11.987 31.391 11.729 1.00 15.52 C ATOM 476 C THR A 31 11.405 30.484 12.811 1.00 12.49 C ATOM 477 O THR A 31 10.375 30.780 13.445 1.00 13.98 O ATOM 478 CB THR A 31 12.455 32.730 12.268 1.00 12.73 C ATOM 479 OG1 THR A 31 13.120 33.407 11.206 1.00 15.21 O ATOM 480 CG2 THR A 31 13.346 32.545 13.429 1.00 12.80 C ATOM 481 HA THR A 31 12.857 30.937 11.255 1.00 0.00 H ATOM 482 HB THR A 31 11.608 33.321 12.617 1.00 0.00 H ATOM 483 HG1 THR A 31 12.490 33.536 10.453 1.00 0.00 H ATOM 484 HG23 THR A 31 12.806 32.025 14.221 1.00 0.00 H ATOM 485 HG21 THR A 31 14.212 31.955 13.130 1.00 0.00 H ATOM 486 HG22 THR A 31 13.676 33.519 13.791 1.00 0.00 H ATOM 487 H THR A 31 10.121 32.309 11.168 1.00 0.00 H ATOM 488 N VAL A 32 12.104 29.350 12.980 1.00 14.34 N ATOM 489 CA VAL A 32 11.637 28.280 13.846 1.00 14.01 C ATOM 490 C VAL A 32 12.840 27.837 14.624 1.00 13.25 C ATOM 491 O VAL A 32 13.864 27.386 14.119 1.00 16.32 O ATOM 492 CB VAL A 32 11.083 26.998 13.103 1.00 15.98 C ATOM 493 CG1 VAL A 32 10.309 26.129 14.101 1.00 16.01 C ATOM 494 CG2 VAL A 32 10.146 27.337 12.000 1.00 13.03 C ATOM 495 HA VAL A 32 10.808 28.676 14.432 1.00 0.00 H ATOM 496 HB VAL A 32 11.946 26.479 12.687 1.00 0.00 H ATOM 497 HG11 VAL A 32 10.975 25.824 14.908 1.00 0.00 H ATOM 498 HG12 VAL A 32 9.477 26.702 14.511 1.00 0.00 H ATOM 499 HG13 VAL A 32 9.926 25.245 13.591 1.00 0.00 H ATOM 500 HG21 VAL A 32 9.295 27.885 12.404 1.00 0.00 H ATOM 501 HG22 VAL A 32 10.661 27.955 11.264 1.00 0.00 H ATOM 502 HG23 VAL A 32 9.798 26.419 11.526 1.00 0.00 H ATOM 503 H VAL A 32 13.006 29.234 12.476 1.00 0.00 H ATOM 504 N LEU A 33 12.638 28.007 15.923 1.00 19.02 N ATOM 505 CA LEU A 33 13.572 27.662 16.992 1.00 17.51 C ATOM 506 C LEU A 33 12.969 26.589 17.929 1.00 17.31 C ATOM 507 O LEU A 33 11.774 26.481 18.201 1.00 18.03 O ATOM 508 CB LEU A 33 13.945 28.928 17.867 1.00 17.59 C ATOM 509 CG LEU A 33 14.469 30.168 17.133 1.00 20.96 C ATOM 510 CD1 LEU A 33 14.996 31.171 18.139 1.00 20.01 C ATOM 511 CD2 LEU A 33 15.683 29.809 16.268 1.00 20.83 C ATOM 512 HA LEU A 33 14.470 27.275 16.510 1.00 0.00 H ATOM 513 HB2 LEU A 33 13.048 29.225 18.411 1.00 0.00 H ATOM 514 HB3 LEU A 33 14.713 28.620 18.577 1.00 0.00 H ATOM 515 HG LEU A 33 13.646 30.561 16.536 1.00 0.00 H ATOM 516 HD21 LEU A 33 16.475 29.412 16.903 1.00 0.00 H ATOM 517 HD22 LEU A 33 15.394 29.058 15.533 1.00 0.00 H ATOM 518 HD23 LEU A 33 16.040 30.703 15.756 1.00 0.00 H ATOM 519 HD11 LEU A 33 14.192 31.463 18.815 1.00 0.00 H ATOM 520 HD12 LEU A 33 15.807 30.719 18.711 1.00 0.00 H ATOM 521 HD13 LEU A 33 15.367 32.050 17.613 1.00 0.00 H ATOM 522 H LEU A 33 11.729 28.425 16.208 1.00 0.00 H ATOM 523 N GLU A 34 13.934 25.796 18.356 1.00 20.48 N ATOM 524 CA GLU A 34 13.825 24.780 19.364 1.00 24.64 C ATOM 525 C GLU A 34 13.213 25.347 20.646 1.00 25.15 C ATOM 526 O GLU A 34 13.224 26.566 20.877 1.00 29.05 O ATOM 527 CB GLU A 34 15.198 24.245 19.666 1.00 28.01 C ATOM 528 CG GLU A 34 16.026 25.356 20.305 1.00 41.98 C ATOM 529 CD GLU A 34 17.174 24.856 21.127 1.00 48.34 C ATOM 530 OE1 GLU A 34 17.728 23.791 20.822 1.00 52.96 O ATOM 531 OE2 GLU A 34 17.476 25.553 22.092 1.00 53.00 O ATOM 532 HA GLU A 34 13.178 23.985 18.994 1.00 0.00 H ATOM 533 HB2 GLU A 34 15.121 23.403 20.354 1.00 0.00 H ATOM 534 HB3 GLU A 34 15.675 23.916 18.743 1.00 0.00 H ATOM 535 HG2 GLU A 34 16.421 25.990 19.512 1.00 0.00 H ATOM 536 HG3 GLU A 34 15.373 25.945 20.948 1.00 0.00 H ATOM 537 H GLU A 34 14.869 25.920 17.917 1.00 0.00 H ATOM 538 N GLU A 35 12.654 24.473 21.476 1.00 25.38 N ATOM 539 CA GLU A 35 12.082 24.882 22.734 1.00 27.61 C ATOM 540 C GLU A 35 12.989 25.737 23.630 1.00 26.90 C ATOM 541 O GLU A 35 14.115 25.417 24.041 1.00 26.94 O ATOM 542 CB GLU A 35 11.638 23.636 23.467 1.00 30.43 C ATOM 543 CG GLU A 35 10.332 23.059 23.034 1.00 35.38 C ATOM 544 CD GLU A 35 9.114 23.925 23.269 1.00 40.24 C ATOM 545 OE1 GLU A 35 9.170 24.916 23.987 1.00 43.66 O ATOM 546 OE2 GLU A 35 8.064 23.594 22.722 1.00 49.70 O ATOM 547 HA GLU A 35 11.248 25.544 22.499 1.00 0.00 H ATOM 548 HB2 GLU A 35 12.404 22.874 23.326 1.00 0.00 H ATOM 549 HB3 GLU A 35 11.561 23.880 24.526 1.00 0.00 H ATOM 550 HG2 GLU A 35 10.395 22.855 21.965 1.00 0.00 H ATOM 551 HG3 GLU A 35 10.185 22.123 23.573 1.00 0.00 H ATOM 552 H GLU A 35 12.629 23.468 21.211 1.00 0.00 H ATOM 553 N MET A 36 12.429 26.901 23.894 1.00 29.35 N ATOM 554 CA MET A 36 13.126 27.882 24.710 1.00 31.21 C ATOM 555 C MET A 36 12.051 28.758 25.276 1.00 32.40 C ATOM 556 O MET A 36 10.880 28.783 24.880 1.00 29.99 O ATOM 557 CB MET A 36 14.075 28.758 23.899 1.00 29.12 C ATOM 558 CG MET A 36 13.440 29.710 22.895 1.00 25.75 C ATOM 559 SD MET A 36 14.864 30.494 22.166 1.00 34.27 S ATOM 560 CE MET A 36 15.481 31.492 23.496 1.00 32.05 C ATOM 561 HA MET A 36 13.730 27.373 25.461 1.00 0.00 H ATOM 562 HB2 MET A 36 14.653 29.357 24.602 1.00 0.00 H ATOM 563 HB3 MET A 36 14.746 28.097 23.349 1.00 0.00 H ATOM 564 HG2 MET A 36 12.799 30.438 23.391 1.00 0.00 H ATOM 565 HG3 MET A 36 12.861 29.168 22.147 1.00 0.00 H ATOM 566 HE1 MET A 36 14.715 32.206 23.799 1.00 0.00 H ATOM 567 HE2 MET A 36 15.737 30.852 24.340 1.00 0.00 H ATOM 568 HE3 MET A 36 16.369 32.030 23.163 1.00 0.00 H ATOM 569 H MET A 36 11.484 27.118 23.517 1.00 0.00 H ATOM 570 N ASN A 37 12.521 29.433 26.290 1.00 36.94 N ATOM 571 CA ASN A 37 11.663 30.349 27.018 1.00 43.31 C ATOM 572 C ASN A 37 11.708 31.747 26.396 1.00 39.75 C ATOM 573 O ASN A 37 12.799 32.281 26.161 1.00 41.72 O ATOM 574 CB ASN A 37 12.138 30.360 28.482 1.00 52.65 C ATOM 575 CG ASN A 37 11.350 31.401 29.287 1.00 62.90 C ATOM 576 OD1 ASN A 37 10.104 31.423 29.241 1.00 67.99 O ATOM 577 ND2 ASN A 37 12.053 32.342 29.965 1.00 66.25 N ATOM 578 HA ASN A 37 10.623 30.026 26.970 1.00 0.00 H ATOM 579 HB2 ASN A 37 11.982 29.374 28.919 1.00 0.00 H ATOM 580 HB3 ASN A 37 13.199 30.607 28.515 1.00 0.00 H ATOM 581 HD22 ASN A 37 13.092 32.300 29.987 1.00 0.00 H ATOM 582 HD21 ASN A 37 11.553 33.106 30.463 1.00 0.00 H ATOM 583 H ASN A 37 13.514 29.314 26.577 1.00 0.00 H ATOM 584 N LEU A 38 10.571 32.325 26.090 1.00 37.51 N ATOM 585 CA LEU A 38 10.554 33.631 25.506 1.00 37.11 C ATOM 586 C LEU A 38 9.446 34.264 26.261 1.00 39.93 C ATOM 587 O LEU A 38 8.480 33.649 26.728 1.00 40.61 O ATOM 588 CB LEU A 38 10.209 33.675 24.018 1.00 32.28 C ATOM 589 CG LEU A 38 11.371 33.349 23.092 1.00 33.70 C ATOM 590 CD1 LEU A 38 10.907 33.435 21.649 1.00 29.56 C ATOM 591 CD2 LEU A 38 12.534 34.295 23.374 1.00 33.77 C ATOM 592 HA LEU A 38 11.537 34.098 25.564 1.00 0.00 H ATOM 593 HB2 LEU A 38 9.412 32.955 23.831 1.00 0.00 H ATOM 594 HB3 LEU A 38 9.854 34.678 23.780 1.00 0.00 H ATOM 595 HG LEU A 38 11.721 32.332 23.271 1.00 0.00 H ATOM 596 HD21 LEU A 38 12.214 35.323 23.205 1.00 0.00 H ATOM 597 HD22 LEU A 38 12.853 34.178 24.410 1.00 0.00 H ATOM 598 HD23 LEU A 38 13.364 34.057 22.708 1.00 0.00 H ATOM 599 HD11 LEU A 38 10.100 32.721 21.485 1.00 0.00 H ATOM 600 HD12 LEU A 38 10.549 34.444 21.443 1.00 0.00 H ATOM 601 HD13 LEU A 38 11.740 33.201 20.986 1.00 0.00 H ATOM 602 H LEU A 38 9.675 31.830 26.273 1.00 0.00 H ATOM 603 N PRO A 39 9.652 35.547 26.464 1.00 44.17 N ATOM 604 CA PRO A 39 8.653 36.388 27.078 1.00 44.64 C ATOM 605 C PRO A 39 7.566 36.804 26.123 1.00 42.94 C ATOM 606 O PRO A 39 7.862 37.102 24.983 1.00 44.56 O ATOM 607 CB PRO A 39 9.491 37.526 27.619 1.00 46.74 C ATOM 608 CG PRO A 39 10.517 37.727 26.543 1.00 47.25 C ATOM 609 CD PRO A 39 10.913 36.273 26.297 1.00 48.27 C ATOM 610 HA PRO A 39 8.072 35.894 27.857 1.00 0.00 H ATOM 611 HD3 PRO A 39 11.309 36.141 25.290 1.00 0.00 H ATOM 612 HD2 PRO A 39 11.654 35.941 27.024 1.00 0.00 H ATOM 613 HG3 PRO A 39 11.359 38.325 26.891 1.00 0.00 H ATOM 614 HG2 PRO A 39 10.088 38.188 25.653 1.00 0.00 H ATOM 615 HB2 PRO A 39 8.889 38.424 27.760 1.00 0.00 H ATOM 616 HB3 PRO A 39 9.961 37.253 28.564 1.00 0.00 H ATOM 617 N GLY A 40 6.336 36.871 26.564 1.00 44.68 N ATOM 618 CA GLY A 40 5.299 37.461 25.763 1.00 44.99 C ATOM 619 C GLY A 40 4.091 36.581 25.840 1.00 45.40 C ATOM 620 O GLY A 40 3.934 35.602 26.581 1.00 47.97 O ATOM 621 HA3 GLY A 40 5.632 37.541 24.728 1.00 0.00 H ATOM 622 HA2 GLY A 40 5.058 38.453 26.144 1.00 0.00 H ATOM 623 H GLY A 40 6.106 36.493 27.505 1.00 0.00 H ATOM 624 N ARG A 41 3.176 37.066 25.066 1.00 46.66 N ATOM 625 CA ARG A 41 2.006 36.270 24.818 1.00 49.57 C ATOM 626 C ARG A 41 2.451 35.634 23.506 1.00 43.73 C ATOM 627 O ARG A 41 3.331 36.092 22.756 1.00 43.20 O ATOM 628 CB ARG A 41 0.758 37.142 24.630 1.00 61.74 C ATOM 629 CG ARG A 41 1.086 38.573 24.181 1.00 80.81 C ATOM 630 CD ARG A 41 -0.089 39.466 23.741 1.00 97.74 C ATOM 631 NE ARG A 41 -1.059 39.937 24.743 1.00112.02 N ATOM 632 CZ ARG A 41 -0.973 41.126 25.395 1.00118.13 C ATOM 633 NH1 ARG A 41 0.033 42.009 25.210 1.00119.87 N ATOM 634 NH2 ARG A 41 -1.983 41.474 26.207 1.00121.41 N ATOM 635 HA ARG A 41 1.719 35.580 25.611 1.00 0.00 H ATOM 636 HB2 ARG A 41 0.121 36.679 23.876 1.00 0.00 H ATOM 637 HB3 ARG A 41 0.222 37.190 25.578 1.00 0.00 H ATOM 638 HG2 ARG A 41 1.582 39.072 25.014 1.00 0.00 H ATOM 639 HG3 ARG A 41 1.775 38.502 23.340 1.00 0.00 H ATOM 640 HD2 ARG A 41 -0.651 38.905 22.995 1.00 0.00 H ATOM 641 HD3 ARG A 41 0.343 40.353 23.277 1.00 0.00 H ATOM 642 HE ARG A 41 -1.864 39.318 24.967 1.00 0.00 H ATOM 643 HH12 ARG A 41 0.043 42.904 25.740 1.00 0.00 H ATOM 644 HH11 ARG A 41 0.797 41.794 24.538 1.00 0.00 H ATOM 645 HH22 ARG A 41 -1.949 42.377 26.721 1.00 0.00 H ATOM 646 HH21 ARG A 41 -2.800 40.840 26.322 1.00 0.00 H ATOM 647 H ARG A 41 3.284 38.006 24.635 1.00 0.00 H ATOM 648 N TRP A 42 1.914 34.482 23.309 1.00 38.15 N ATOM 649 CA TRP A 42 2.156 33.810 22.076 1.00 36.03 C ATOM 650 C TRP A 42 0.839 33.215 21.696 1.00 34.06 C ATOM 651 O TRP A 42 -0.075 33.156 22.519 1.00 33.72 O ATOM 652 CB TRP A 42 3.181 32.753 22.269 1.00 34.95 C ATOM 653 CG TRP A 42 2.837 31.926 23.452 1.00 39.76 C ATOM 654 CD1 TRP A 42 3.322 32.237 24.692 1.00 44.42 C ATOM 655 CD2 TRP A 42 2.067 30.816 23.399 1.00 40.91 C ATOM 656 NE1 TRP A 42 2.859 31.293 25.447 1.00 46.36 N ATOM 657 CE2 TRP A 42 2.112 30.433 24.733 1.00 42.17 C ATOM 658 CE3 TRP A 42 1.353 30.091 22.440 1.00 40.32 C ATOM 659 CZ2 TRP A 42 1.440 29.282 25.127 1.00 41.68 C ATOM 660 CZ3 TRP A 42 0.678 28.935 22.826 1.00 40.35 C ATOM 661 CH2 TRP A 42 0.720 28.542 24.170 1.00 42.59 C ATOM 662 HA TRP A 42 2.533 34.477 21.301 1.00 0.00 H ATOM 663 HB2 TRP A 42 3.218 32.119 21.383 1.00 0.00 H ATOM 664 HB3 TRP A 42 4.155 33.217 22.423 1.00 0.00 H ATOM 665 HE1 TRP A 42 3.040 31.211 26.468 1.00 0.00 H ATOM 666 HD1 TRP A 42 3.950 33.081 24.977 1.00 0.00 H ATOM 667 HZ2 TRP A 42 1.470 28.956 26.167 1.00 0.00 H ATOM 668 HH2 TRP A 42 0.184 27.645 24.481 1.00 0.00 H ATOM 669 HZ3 TRP A 42 0.126 28.346 22.094 1.00 0.00 H ATOM 670 HE3 TRP A 42 1.325 30.426 21.403 1.00 0.00 H ATOM 671 H TRP A 42 1.313 34.048 24.038 1.00 0.00 H ATOM 672 N LYS A 43 0.813 32.742 20.459 1.00 32.65 N ATOM 673 CA LYS A 43 -0.347 32.174 19.755 1.00 31.69 C ATOM 674 C LYS A 43 0.050 30.782 19.269 1.00 28.18 C ATOM 675 O LYS A 43 1.221 30.611 18.913 1.00 27.30 O ATOM 676 CB LYS A 43 -0.766 32.928 18.473 1.00 34.91 C ATOM 677 CG LYS A 43 -1.507 34.268 18.524 1.00 48.53 C ATOM 678 CD LYS A 43 -2.206 34.620 17.193 1.00 56.70 C ATOM 679 CE LYS A 43 -1.319 35.158 16.062 1.00 65.33 C ATOM 680 NZ LYS A 43 -1.268 36.601 16.101 1.00 69.74 N ATOM 681 HA LYS A 43 -1.172 32.214 20.466 1.00 0.00 H ATOM 682 HB2 LYS A 43 0.151 33.107 17.911 1.00 0.00 H ATOM 683 HB3 LYS A 43 -1.406 32.246 17.913 1.00 0.00 H ATOM 684 HG2 LYS A 43 -2.260 34.219 19.310 1.00 0.00 H ATOM 685 HG3 LYS A 43 -0.789 35.054 18.758 1.00 0.00 H ATOM 686 HD2 LYS A 43 -2.693 33.716 16.828 1.00 0.00 H ATOM 687 HD3 LYS A 43 -2.961 35.376 17.408 1.00 0.00 H ATOM 688 HE2 LYS A 43 -1.727 34.839 15.103 1.00 0.00 H ATOM 689 HE3 LYS A 43 -0.311 34.760 16.176 1.00 0.00 H ATOM 690 HZ1 LYS A 43 -2.228 36.984 15.989 1.00 0.00 H ATOM 691 HZ2 LYS A 43 -0.876 36.908 17.014 1.00 0.00 H ATOM 692 HZ3 LYS A 43 -0.663 36.946 15.328 1.00 0.00 H ATOM 693 H LYS A 43 1.707 32.776 19.929 1.00 0.00 H ATOM 694 N PRO A 44 -0.816 29.772 19.263 1.00 24.92 N ATOM 695 CA PRO A 44 -0.514 28.536 18.602 1.00 21.88 C ATOM 696 C PRO A 44 -0.617 28.727 17.093 1.00 20.12 C ATOM 697 O PRO A 44 -1.437 29.518 16.589 1.00 22.15 O ATOM 698 CB PRO A 44 -1.515 27.604 19.226 1.00 23.62 C ATOM 699 CG PRO A 44 -2.750 28.462 19.436 1.00 23.27 C ATOM 700 CD PRO A 44 -2.079 29.697 20.004 1.00 24.20 C ATOM 701 HA PRO A 44 0.495 28.143 18.724 1.00 0.00 H ATOM 702 HD3 PRO A 44 -2.686 30.585 19.830 1.00 0.00 H ATOM 703 HD2 PRO A 44 -1.898 29.586 21.073 1.00 0.00 H ATOM 704 HG3 PRO A 44 -3.447 28.012 20.143 1.00 0.00 H ATOM 705 HG2 PRO A 44 -3.268 28.671 18.500 1.00 0.00 H ATOM 706 HB2 PRO A 44 -1.733 26.770 18.560 1.00 0.00 H ATOM 707 HB3 PRO A 44 -1.145 27.221 20.177 1.00 0.00 H ATOM 708 N LYS A 45 0.251 27.948 16.433 1.00 17.90 N ATOM 709 CA LYS A 45 0.379 27.918 15.024 1.00 18.81 C ATOM 710 C LYS A 45 0.798 26.506 14.677 1.00 18.44 C ATOM 711 O LYS A 45 1.423 25.844 15.509 1.00 21.04 O ATOM 712 CB LYS A 45 1.462 28.865 14.586 1.00 18.47 C ATOM 713 CG LYS A 45 1.356 29.031 13.082 1.00 23.24 C ATOM 714 CD LYS A 45 2.325 30.084 12.581 1.00 30.77 C ATOM 715 CE LYS A 45 2.121 30.325 11.076 1.00 40.48 C ATOM 716 NZ LYS A 45 1.446 31.590 10.734 1.00 46.08 N ATOM 717 HA LYS A 45 -0.552 28.208 14.536 1.00 0.00 H ATOM 718 HB2 LYS A 45 1.331 29.830 15.076 1.00 0.00 H ATOM 719 HB3 LYS A 45 2.439 28.457 14.846 1.00 0.00 H ATOM 720 HG2 LYS A 45 1.583 28.080 12.601 1.00 0.00 H ATOM 721 HG3 LYS A 45 0.340 29.332 12.827 1.00 0.00 H ATOM 722 HD2 LYS A 45 2.155 31.016 13.121 1.00 0.00 H ATOM 723 HD3 LYS A 45 3.346 29.746 12.756 1.00 0.00 H ATOM 724 HE2 LYS A 45 1.523 29.504 10.680 1.00 0.00 H ATOM 725 HE3 LYS A 45 3.100 30.324 10.597 1.00 0.00 H ATOM 726 HZ1 LYS A 45 0.502 31.607 11.170 1.00 0.00 H ATOM 727 HZ2 LYS A 45 2.008 32.389 11.091 1.00 0.00 H ATOM 728 HZ3 LYS A 45 1.354 31.664 9.701 1.00 0.00 H ATOM 729 H LYS A 45 0.870 27.326 16.992 1.00 0.00 H ATOM 730 N MET A 46 0.494 26.094 13.430 1.00 20.30 N ATOM 731 CA MET A 46 0.882 24.844 12.810 1.00 18.57 C ATOM 732 C MET A 46 1.673 25.238 11.561 1.00 15.49 C ATOM 733 O MET A 46 1.175 26.026 10.768 1.00 16.77 O ATOM 734 CB MET A 46 -0.301 24.090 12.314 1.00 21.62 C ATOM 735 CG MET A 46 -1.265 23.719 13.387 1.00 26.37 C ATOM 736 SD MET A 46 -0.653 22.396 14.409 1.00 33.04 S ATOM 737 CE MET A 46 -1.538 21.198 13.489 1.00 36.24 C ATOM 738 HA MET A 46 1.426 24.232 13.529 1.00 0.00 H ATOM 739 HB2 MET A 46 -0.821 24.707 11.582 1.00 0.00 H ATOM 740 HB3 MET A 46 0.049 23.176 11.834 1.00 0.00 H ATOM 741 HG2 MET A 46 -2.201 23.403 12.926 1.00 0.00 H ATOM 742 HG3 MET A 46 -1.447 24.592 14.014 1.00 0.00 H ATOM 743 HE1 MET A 46 -2.604 21.418 13.539 1.00 0.00 H ATOM 744 HE2 MET A 46 -1.209 21.223 12.450 1.00 0.00 H ATOM 745 HE3 MET A 46 -1.350 20.209 13.907 1.00 0.00 H ATOM 746 H MET A 46 -0.079 26.742 12.853 1.00 0.00 H ATOM 747 N ILE A 47 2.886 24.696 11.363 1.00 15.27 N ATOM 748 CA ILE A 47 3.747 24.929 10.216 1.00 15.15 C ATOM 749 C ILE A 47 4.032 23.555 9.669 1.00 16.13 C ATOM 750 O ILE A 47 4.167 22.626 10.461 1.00 14.46 O ATOM 751 CB ILE A 47 5.143 25.527 10.538 1.00 15.65 C ATOM 752 CG1 ILE A 47 5.720 24.960 11.754 1.00 13.75 C ATOM 753 CG2 ILE A 47 4.992 26.958 10.768 1.00 16.58 C ATOM 754 CD1 ILE A 47 7.105 25.484 11.947 1.00 21.69 C ATOM 755 HA ILE A 47 3.236 25.637 9.563 1.00 0.00 H ATOM 756 HB ILE A 47 5.797 25.303 9.695 1.00 0.00 H ATOM 757 HG12 ILE A 47 5.105 25.237 12.610 1.00 0.00 H ATOM 758 HG13 ILE A 47 5.752 23.874 11.668 1.00 0.00 H ATOM 759 HD11 ILE A 47 7.720 25.206 11.091 1.00 0.00 H ATOM 760 HD12 ILE A 47 7.072 26.570 12.035 1.00 0.00 H ATOM 761 HD13 ILE A 47 7.530 25.058 12.856 1.00 0.00 H ATOM 762 HG21 ILE A 47 4.583 27.427 9.873 1.00 0.00 H ATOM 763 HG22 ILE A 47 4.315 27.120 11.607 1.00 0.00 H ATOM 764 HG23 ILE A 47 5.965 27.393 10.996 1.00 0.00 H ATOM 765 H ILE A 47 3.241 24.051 12.097 1.00 0.00 H ATOM 766 N GLY A 48 4.216 23.404 8.373 1.00 16.81 N ATOM 767 CA GLY A 48 4.527 22.121 7.818 1.00 14.85 C ATOM 768 C GLY A 48 5.629 22.281 6.835 1.00 16.00 C ATOM 769 O GLY A 48 6.052 23.376 6.510 1.00 18.15 O ATOM 770 HA3 GLY A 48 3.647 21.714 7.320 1.00 0.00 H ATOM 771 HA2 GLY A 48 4.840 21.443 8.613 1.00 0.00 H ATOM 772 H GLY A 48 4.134 24.228 7.744 1.00 0.00 H ATOM 773 N GLY A 49 6.102 21.117 6.411 1.00 17.04 N ATOM 774 CA GLY A 49 7.143 21.049 5.399 1.00 17.33 C ATOM 775 C GLY A 49 7.297 19.595 5.057 1.00 15.13 C ATOM 776 O GLY A 49 6.305 18.882 5.092 1.00 16.20 O ATOM 777 HA3 GLY A 49 8.079 21.447 5.791 1.00 0.00 H ATOM 778 HA2 GLY A 49 6.850 21.617 4.516 1.00 0.00 H ATOM 779 H GLY A 49 5.721 20.236 6.810 1.00 0.00 H ATOM 780 N ILE A 50 8.507 19.135 4.784 1.00 16.29 N ATOM 781 CA ILE A 50 8.764 17.731 4.562 1.00 17.54 C ATOM 782 C ILE A 50 8.553 16.992 5.874 1.00 17.86 C ATOM 783 O ILE A 50 8.986 17.358 6.980 1.00 17.78 O ATOM 784 CB ILE A 50 10.176 17.520 4.041 1.00 16.58 C ATOM 785 CG1 ILE A 50 10.037 17.850 2.554 1.00 16.15 C ATOM 786 CG2 ILE A 50 10.751 16.091 4.261 1.00 18.97 C ATOM 787 CD1 ILE A 50 11.318 17.885 1.815 1.00 14.64 C ATOM 788 HA ILE A 50 8.079 17.343 3.808 1.00 0.00 H ATOM 789 HB ILE A 50 10.892 18.141 4.579 1.00 0.00 H ATOM 790 HG12 ILE A 50 9.398 17.095 2.095 1.00 0.00 H ATOM 791 HG13 ILE A 50 9.564 18.828 2.464 1.00 0.00 H ATOM 792 HD11 ILE A 50 11.967 18.644 2.251 1.00 0.00 H ATOM 793 HD12 ILE A 50 11.801 16.910 1.882 1.00 0.00 H ATOM 794 HD13 ILE A 50 11.126 18.126 0.769 1.00 0.00 H ATOM 795 HG21 ILE A 50 10.775 15.871 5.328 1.00 0.00 H ATOM 796 HG22 ILE A 50 10.118 15.364 3.753 1.00 0.00 H ATOM 797 HG23 ILE A 50 11.762 16.041 3.856 1.00 0.00 H ATOM 798 H ILE A 50 9.299 19.806 4.727 1.00 0.00 H ATOM 799 N GLY A 51 7.749 15.951 5.738 1.00 20.70 N ATOM 800 CA GLY A 51 7.520 15.097 6.906 1.00 18.49 C ATOM 801 C GLY A 51 6.208 15.478 7.563 1.00 21.36 C ATOM 802 O GLY A 51 5.742 14.703 8.406 1.00 25.99 O ATOM 803 HA3 GLY A 51 8.335 15.229 7.618 1.00 0.00 H ATOM 804 HA2 GLY A 51 7.479 14.054 6.591 1.00 0.00 H ATOM 805 H GLY A 51 7.292 15.744 4.827 1.00 0.00 H ATOM 806 N GLY A 52 5.524 16.559 7.203 1.00 21.00 N ATOM 807 CA GLY A 52 4.285 16.903 7.886 1.00 19.90 C ATOM 808 C GLY A 52 4.392 18.177 8.716 1.00 21.04 C ATOM 809 O GLY A 52 5.376 18.919 8.619 1.00 20.44 O ATOM 810 HA3 GLY A 52 4.013 16.080 8.547 1.00 0.00 H ATOM 811 HA2 GLY A 52 3.503 17.040 7.139 1.00 0.00 H ATOM 812 H GLY A 52 5.875 17.161 6.431 1.00 0.00 H ATOM 813 N PHE A 53 3.351 18.388 9.506 1.00 20.08 N ATOM 814 CA PHE A 53 3.151 19.633 10.256 1.00 22.20 C ATOM 815 C PHE A 53 3.501 19.496 11.724 1.00 21.69 C ATOM 816 O PHE A 53 3.424 18.355 12.226 1.00 25.16 O ATOM 817 CB PHE A 53 1.663 20.106 10.106 1.00 19.04 C ATOM 818 CG PHE A 53 1.415 20.726 8.763 1.00 18.58 C ATOM 819 CD1 PHE A 53 1.543 19.956 7.609 1.00 18.34 C ATOM 820 CD2 PHE A 53 1.111 22.085 8.708 1.00 21.10 C ATOM 821 CE1 PHE A 53 1.363 20.548 6.373 1.00 16.54 C ATOM 822 CE2 PHE A 53 0.932 22.673 7.456 1.00 21.23 C ATOM 823 CZ PHE A 53 1.051 21.907 6.283 1.00 24.08 C ATOM 824 HA PHE A 53 3.828 20.376 9.834 1.00 0.00 H ATOM 825 HB2 PHE A 53 1.004 19.246 10.226 1.00 0.00 H ATOM 826 HB3 PHE A 53 1.445 20.841 10.881 1.00 0.00 H ATOM 827 HD2 PHE A 53 1.016 22.674 9.620 1.00 0.00 H ATOM 828 HE2 PHE A 53 0.698 23.735 7.386 1.00 0.00 H ATOM 829 HZ PHE A 53 0.901 22.371 5.308 1.00 0.00 H ATOM 830 HE1 PHE A 53 1.465 19.953 5.466 1.00 0.00 H ATOM 831 HD1 PHE A 53 1.783 18.895 7.680 1.00 0.00 H ATOM 832 H PHE A 53 2.640 17.635 9.600 1.00 0.00 H ATOM 833 N ILE A 54 3.939 20.570 12.395 1.00 17.97 N ATOM 834 CA ILE A 54 4.239 20.571 13.817 1.00 17.76 C ATOM 835 C ILE A 54 3.582 21.778 14.455 1.00 19.15 C ATOM 836 O ILE A 54 3.366 22.755 13.755 1.00 20.82 O ATOM 837 CB ILE A 54 5.793 20.615 14.172 1.00 15.89 C ATOM 838 CG1 ILE A 54 6.532 21.792 13.568 1.00 13.51 C ATOM 839 CG2 ILE A 54 6.389 19.264 13.743 1.00 14.90 C ATOM 840 CD1 ILE A 54 7.933 21.976 14.225 1.00 11.43 C ATOM 841 HA ILE A 54 3.855 19.626 14.201 1.00 0.00 H ATOM 842 HB ILE A 54 5.911 20.769 15.245 1.00 0.00 H ATOM 843 HG12 ILE A 54 6.660 21.621 12.499 1.00 0.00 H ATOM 844 HG13 ILE A 54 5.945 22.698 13.722 1.00 0.00 H ATOM 845 HD11 ILE A 54 7.811 22.153 15.294 1.00 0.00 H ATOM 846 HD12 ILE A 54 8.527 21.075 14.070 1.00 0.00 H ATOM 847 HD13 ILE A 54 8.437 22.828 13.770 1.00 0.00 H ATOM 848 HG21 ILE A 54 5.891 18.460 14.286 1.00 0.00 H ATOM 849 HG22 ILE A 54 6.241 19.127 12.672 1.00 0.00 H ATOM 850 HG23 ILE A 54 7.455 19.251 13.969 1.00 0.00 H ATOM 851 H ILE A 54 4.072 21.456 11.867 1.00 0.00 H ATOM 852 N LYS A 55 3.249 21.781 15.750 1.00 18.55 N ATOM 853 CA LYS A 55 2.619 22.911 16.404 1.00 19.64 C ATOM 854 C LYS A 55 3.732 23.634 17.152 1.00 19.64 C ATOM 855 O LYS A 55 4.651 23.082 17.776 1.00 18.07 O ATOM 856 CB LYS A 55 1.581 22.455 17.390 1.00 24.29 C ATOM 857 CG LYS A 55 0.538 23.507 17.772 1.00 30.71 C ATOM 858 CD LYS A 55 -0.060 22.904 19.024 1.00 37.99 C ATOM 859 CE LYS A 55 -1.261 23.650 19.616 1.00 42.16 C ATOM 860 NZ LYS A 55 -2.561 23.333 19.025 1.00 46.54 N ATOM 861 HA LYS A 55 2.121 23.549 15.674 1.00 0.00 H ATOM 862 HB2 LYS A 55 1.057 21.602 16.958 1.00 0.00 H ATOM 863 HB3 LYS A 55 2.094 22.143 18.300 1.00 0.00 H ATOM 864 HG2 LYS A 55 1.002 24.471 17.978 1.00 0.00 H ATOM 865 HG3 LYS A 55 -0.212 23.626 16.990 1.00 0.00 H ATOM 866 HD2 LYS A 55 -0.380 21.889 18.787 1.00 0.00 H ATOM 867 HD3 LYS A 55 0.720 22.869 19.784 1.00 0.00 H ATOM 868 HE2 LYS A 55 -1.087 24.719 19.489 1.00 0.00 H ATOM 869 HE3 LYS A 55 -1.310 23.415 20.679 1.00 0.00 H ATOM 870 HZ1 LYS A 55 -2.545 23.564 18.011 1.00 0.00 H ATOM 871 HZ2 LYS A 55 -2.758 22.319 19.148 1.00 0.00 H ATOM 872 HZ3 LYS A 55 -3.301 23.891 19.498 1.00 0.00 H ATOM 873 H LYS A 55 3.452 20.932 16.315 1.00 0.00 H ATOM 874 N VAL A 56 3.660 24.934 16.938 1.00 18.78 N ATOM 875 CA VAL A 56 4.639 25.834 17.481 1.00 17.08 C ATOM 876 C VAL A 56 3.923 26.934 18.229 1.00 16.06 C ATOM 877 O VAL A 56 2.698 27.115 18.151 1.00 17.65 O ATOM 878 CB VAL A 56 5.483 26.392 16.346 1.00 17.35 C ATOM 879 CG1 VAL A 56 6.308 25.257 15.808 1.00 14.84 C ATOM 880 CG2 VAL A 56 4.651 26.969 15.230 1.00 16.82 C ATOM 881 HA VAL A 56 5.301 25.317 18.175 1.00 0.00 H ATOM 882 HB VAL A 56 6.097 27.205 16.733 1.00 0.00 H ATOM 883 HG11 VAL A 56 6.943 24.863 16.602 1.00 0.00 H ATOM 884 HG12 VAL A 56 5.647 24.470 15.445 1.00 0.00 H ATOM 885 HG13 VAL A 56 6.930 25.618 14.989 1.00 0.00 H ATOM 886 HG21 VAL A 56 4.009 26.191 14.817 1.00 0.00 H ATOM 887 HG22 VAL A 56 4.036 27.781 15.619 1.00 0.00 H ATOM 888 HG23 VAL A 56 5.308 27.352 14.449 1.00 0.00 H ATOM 889 H VAL A 56 2.880 25.314 16.365 1.00 0.00 H ATOM 890 N ARG A 57 4.709 27.625 19.037 1.00 16.74 N ATOM 891 CA ARG A 57 4.180 28.810 19.708 1.00 17.87 C ATOM 892 C ARG A 57 4.714 30.004 18.955 1.00 18.06 C ATOM 893 O ARG A 57 5.919 30.090 18.699 1.00 20.15 O ATOM 894 CB ARG A 57 4.650 28.871 21.149 1.00 15.27 C ATOM 895 CG ARG A 57 4.132 27.604 21.867 1.00 18.95 C ATOM 896 CD ARG A 57 4.343 27.667 23.376 1.00 22.35 C ATOM 897 NE ARG A 57 5.668 28.172 23.737 1.00 31.19 N ATOM 898 CZ ARG A 57 6.764 27.391 23.786 1.00 37.62 C ATOM 899 NH1 ARG A 57 6.651 26.094 23.492 1.00 40.48 N ATOM 900 NH2 ARG A 57 7.956 27.930 24.101 1.00 37.71 N ATOM 901 HA ARG A 57 3.090 28.789 19.717 1.00 0.00 H ATOM 902 HB2 ARG A 57 5.739 28.898 21.184 1.00 0.00 H ATOM 903 HB3 ARG A 57 4.250 29.762 21.633 1.00 0.00 H ATOM 904 HG2 ARG A 57 3.066 27.498 21.666 1.00 0.00 H ATOM 905 HG3 ARG A 57 4.663 26.737 21.474 1.00 0.00 H ATOM 906 HD2 ARG A 57 4.227 26.664 23.787 1.00 0.00 H ATOM 907 HD3 ARG A 57 3.589 28.325 23.807 1.00 0.00 H ATOM 908 HE ARG A 57 5.768 29.181 23.967 1.00 0.00 H ATOM 909 HH12 ARG A 57 7.489 25.478 23.525 1.00 0.00 H ATOM 910 HH11 ARG A 57 5.725 25.699 23.229 1.00 0.00 H ATOM 911 HH22 ARG A 57 8.804 27.330 24.140 1.00 0.00 H ATOM 912 HH21 ARG A 57 8.029 28.947 24.306 1.00 0.00 H ATOM 913 H ARG A 57 5.693 27.328 19.193 1.00 0.00 H ATOM 914 N GLN A 58 3.833 30.872 18.517 1.00 17.05 N ATOM 915 CA GLN A 58 4.202 32.068 17.775 1.00 17.09 C ATOM 916 C GLN A 58 4.452 33.237 18.685 1.00 14.92 C ATOM 917 O GLN A 58 3.497 33.618 19.363 1.00 17.89 O ATOM 918 CB GLN A 58 3.100 32.440 16.862 1.00 18.04 C ATOM 919 CG GLN A 58 3.412 33.622 16.043 1.00 17.63 C ATOM 920 CD GLN A 58 2.238 33.951 15.168 1.00 22.74 C ATOM 921 OE1 GLN A 58 1.291 33.217 14.908 1.00 28.29 O ATOM 922 NE2 GLN A 58 2.213 35.156 14.673 1.00 24.42 N ATOM 923 HA GLN A 58 5.117 31.840 17.228 1.00 0.00 H ATOM 924 HB2 GLN A 58 2.899 31.599 16.198 1.00 0.00 H ATOM 925 HB3 GLN A 58 2.212 32.653 17.457 1.00 0.00 H ATOM 926 HG2 GLN A 58 3.628 34.469 16.695 1.00 0.00 H ATOM 927 HG3 GLN A 58 4.282 33.413 15.420 1.00 0.00 H ATOM 928 HE22 GLN A 58 2.995 35.814 14.867 1.00 0.00 H ATOM 929 HE21 GLN A 58 1.411 35.460 14.084 1.00 0.00 H ATOM 930 H GLN A 58 2.826 30.697 18.709 1.00 0.00 H ATOM 931 N TYR A 59 5.628 33.823 18.737 1.00 15.88 N ATOM 932 CA TYR A 59 5.815 35.006 19.514 1.00 19.23 C ATOM 933 C TYR A 59 6.113 36.125 18.569 1.00 20.70 C ATOM 934 O TYR A 59 7.044 36.044 17.768 1.00 21.19 O ATOM 935 CB TYR A 59 6.967 34.851 20.435 1.00 18.22 C ATOM 936 CG TYR A 59 6.816 33.890 21.605 1.00 23.25 C ATOM 937 CD1 TYR A 59 7.146 32.531 21.491 1.00 23.15 C ATOM 938 CD2 TYR A 59 6.434 34.422 22.837 1.00 24.26 C ATOM 939 CE1 TYR A 59 7.107 31.705 22.631 1.00 29.39 C ATOM 940 CE2 TYR A 59 6.379 33.608 23.971 1.00 29.95 C ATOM 941 CZ TYR A 59 6.731 32.266 23.858 1.00 28.75 C ATOM 942 OH TYR A 59 6.702 31.511 24.994 1.00 31.16 O ATOM 943 HA TYR A 59 4.919 35.202 20.103 1.00 0.00 H ATOM 944 HB3 TYR A 59 7.188 35.835 20.849 1.00 0.00 H ATOM 945 HB2 TYR A 59 7.815 34.510 19.841 1.00 0.00 H ATOM 946 HD2 TYR A 59 6.177 35.478 22.915 1.00 0.00 H ATOM 947 HE2 TYR A 59 6.065 34.018 24.931 1.00 0.00 H ATOM 948 HE1 TYR A 59 7.365 30.648 22.560 1.00 0.00 H ATOM 949 HD1 TYR A 59 7.431 32.116 20.524 1.00 0.00 H ATOM 950 HH TYR A 59 7.329 31.892 25.658 1.00 0.00 H ATOM 951 H TYR A 59 6.428 33.421 18.208 1.00 0.00 H ATOM 952 N ASP A 60 5.418 37.246 18.656 1.00 24.49 N ATOM 953 CA ASP A 60 5.716 38.344 17.759 1.00 25.50 C ATOM 954 C ASP A 60 6.701 39.390 18.337 1.00 26.40 C ATOM 955 O ASP A 60 6.977 39.428 19.544 1.00 28.39 O ATOM 956 CB ASP A 60 4.410 39.011 17.376 1.00 28.35 C ATOM 957 CG ASP A 60 3.357 38.087 16.775 1.00 29.73 C ATOM 958 OD1 ASP A 60 3.641 37.401 15.811 1.00 28.13 O ATOM 959 OD2 ASP A 60 2.235 38.067 17.261 1.00 35.72 O ATOM 960 HA ASP A 60 6.223 37.924 16.890 1.00 0.00 H ATOM 961 HB2 ASP A 60 3.988 39.465 18.273 1.00 0.00 H ATOM 962 HB3 ASP A 60 4.631 39.790 16.646 1.00 0.00 H ATOM 963 H ASP A 60 4.662 37.339 19.364 1.00 0.00 H ATOM 964 N GLN A 61 7.293 40.209 17.467 1.00 26.35 N ATOM 965 CA GLN A 61 8.303 41.248 17.757 1.00 28.20 C ATOM 966 C GLN A 61 9.513 40.855 18.623 1.00 26.11 C ATOM 967 O GLN A 61 9.880 41.518 19.600 1.00 28.86 O ATOM 968 CB GLN A 61 7.594 42.479 18.377 1.00 37.87 C ATOM 969 CG GLN A 61 6.694 43.339 17.437 1.00 46.64 C ATOM 970 CD GLN A 61 5.694 44.216 18.212 1.00 53.80 C ATOM 971 OE1 GLN A 61 4.473 44.185 17.991 1.00 57.26 O ATOM 972 NE2 GLN A 61 6.174 44.996 19.197 1.00 57.08 N ATOM 973 HA GLN A 61 8.752 41.456 16.786 1.00 0.00 H ATOM 974 HB2 GLN A 61 6.966 42.119 19.192 1.00 0.00 H ATOM 975 HB3 GLN A 61 8.367 43.134 18.779 1.00 0.00 H ATOM 976 HG2 GLN A 61 7.334 43.986 16.837 1.00 0.00 H ATOM 977 HG3 GLN A 61 6.137 42.671 16.780 1.00 0.00 H ATOM 978 HE22 GLN A 61 7.196 45.025 19.386 1.00 0.00 H ATOM 979 HE21 GLN A 61 5.523 45.570 19.770 1.00 0.00 H ATOM 980 H GLN A 61 7.012 40.105 16.471 1.00 0.00 H ATOM 981 N ILE A 62 10.217 39.780 18.270 1.00 23.07 N ATOM 982 CA ILE A 62 11.306 39.314 19.065 1.00 20.70 C ATOM 983 C ILE A 62 12.463 39.898 18.342 1.00 20.84 C ATOM 984 O ILE A 62 12.529 39.901 17.117 1.00 24.07 O ATOM 985 CB ILE A 62 11.298 37.792 19.037 1.00 21.77 C ATOM 986 CG1 ILE A 62 10.052 37.299 19.693 1.00 18.59 C ATOM 987 CG2 ILE A 62 12.520 37.240 19.712 1.00 21.56 C ATOM 988 CD1 ILE A 62 9.940 37.558 21.177 1.00 21.49 C ATOM 989 HA ILE A 62 11.295 39.591 20.119 1.00 0.00 H ATOM 990 HB ILE A 62 11.316 37.448 18.003 1.00 0.00 H ATOM 991 HG12 ILE A 62 9.205 37.780 19.205 1.00 0.00 H ATOM 992 HG13 ILE A 62 9.996 36.222 19.537 1.00 0.00 H ATOM 993 HD11 ILE A 62 10.768 37.072 21.693 1.00 0.00 H ATOM 994 HD12 ILE A 62 9.976 38.632 21.361 1.00 0.00 H ATOM 995 HD13 ILE A 62 8.995 37.157 21.544 1.00 0.00 H ATOM 996 HG21 ILE A 62 13.411 37.597 19.196 1.00 0.00 H ATOM 997 HG22 ILE A 62 12.542 37.573 20.750 1.00 0.00 H ATOM 998 HG23 ILE A 62 12.491 36.151 19.679 1.00 0.00 H ATOM 999 H ILE A 62 9.968 39.271 17.398 1.00 0.00 H ATOM 1000 N LEU A 63 13.417 40.319 19.149 1.00 23.08 N ATOM 1001 CA LEU A 63 14.629 40.912 18.682 1.00 22.39 C ATOM 1002 C LEU A 63 15.634 39.798 18.630 1.00 22.31 C ATOM 1003 O LEU A 63 15.863 39.116 19.631 1.00 25.21 O ATOM 1004 CB LEU A 63 15.134 41.992 19.632 1.00 26.00 C ATOM 1005 CG LEU A 63 16.517 42.478 19.213 1.00 32.84 C ATOM 1006 CD1 LEU A 63 16.369 43.867 18.727 1.00 34.89 C ATOM 1007 CD2 LEU A 63 17.522 42.420 20.347 1.00 29.97 C ATOM 1008 HA LEU A 63 14.468 41.387 17.714 1.00 0.00 H ATOM 1009 HB2 LEU A 63 14.440 42.833 19.619 1.00 0.00 H ATOM 1010 HB3 LEU A 63 15.189 41.584 20.641 1.00 0.00 H ATOM 1011 HG LEU A 63 16.904 41.823 18.432 1.00 0.00 H ATOM 1012 HD21 LEU A 63 17.179 43.050 21.168 1.00 0.00 H ATOM 1013 HD22 LEU A 63 17.618 41.391 20.693 1.00 0.00 H ATOM 1014 HD23 LEU A 63 18.489 42.777 19.993 1.00 0.00 H ATOM 1015 HD11 LEU A 63 15.685 43.883 17.879 1.00 0.00 H ATOM 1016 HD12 LEU A 63 15.971 44.490 19.528 1.00 0.00 H ATOM 1017 HD13 LEU A 63 17.342 44.248 18.418 1.00 0.00 H ATOM 1018 H LEU A 63 13.280 40.214 20.175 1.00 0.00 H ATOM 1019 N ILE A 64 16.250 39.625 17.496 1.00 21.82 N ATOM 1020 CA ILE A 64 17.261 38.636 17.443 1.00 26.71 C ATOM 1021 C ILE A 64 18.510 39.316 16.953 1.00 23.96 C ATOM 1022 O ILE A 64 18.432 40.200 16.125 1.00 27.93 O ATOM 1023 CB ILE A 64 16.903 37.465 16.470 1.00 28.34 C ATOM 1024 CG1 ILE A 64 15.751 36.653 16.985 1.00 35.13 C ATOM 1025 CG2 ILE A 64 18.054 36.492 16.392 1.00 27.51 C ATOM 1026 CD1 ILE A 64 15.655 35.293 16.197 1.00 37.81 C ATOM 1027 HA ILE A 64 17.384 38.198 18.434 1.00 0.00 H ATOM 1028 HB ILE A 64 16.668 37.924 15.510 1.00 0.00 H ATOM 1029 HG12 ILE A 64 15.900 36.447 18.045 1.00 0.00 H ATOM 1030 HG13 ILE A 64 14.826 37.214 16.852 1.00 0.00 H ATOM 1031 HD11 ILE A 64 15.504 35.498 15.137 1.00 0.00 H ATOM 1032 HD12 ILE A 64 16.579 34.731 16.331 1.00 0.00 H ATOM 1033 HD13 ILE A 64 14.816 34.712 16.579 1.00 0.00 H ATOM 1034 HG21 ILE A 64 18.940 37.008 16.023 1.00 0.00 H ATOM 1035 HG22 ILE A 64 18.254 36.087 17.384 1.00 0.00 H ATOM 1036 HG23 ILE A 64 17.796 35.680 15.712 1.00 0.00 H ATOM 1037 H ILE A 64 16.008 40.193 16.659 1.00 0.00 H ATOM 1038 N GLU A 65 19.668 38.866 17.336 1.00 22.87 N ATOM 1039 CA GLU A 65 20.824 39.445 16.815 1.00 26.42 C ATOM 1040 C GLU A 65 21.367 38.404 15.901 1.00 26.70 C ATOM 1041 O GLU A 65 21.559 37.328 16.445 1.00 25.52 O ATOM 1042 CB GLU A 65 21.637 39.716 18.013 1.00 33.47 C ATOM 1043 CG GLU A 65 22.807 40.551 17.639 1.00 44.85 C ATOM 1044 CD GLU A 65 23.525 41.125 18.856 1.00 53.60 C ATOM 1045 OE1 GLU A 65 22.914 41.952 19.574 1.00 54.93 O ATOM 1046 OE2 GLU A 65 24.689 40.716 19.060 1.00 57.10 O ATOM 1047 HA GLU A 65 20.737 40.370 16.246 1.00 0.00 H ATOM 1048 HB2 GLU A 65 21.033 40.245 18.750 1.00 0.00 H ATOM 1049 HB3 GLU A 65 21.984 38.774 18.438 1.00 0.00 H ATOM 1050 HG2 GLU A 65 23.509 39.937 17.075 1.00 0.00 H ATOM 1051 HG3 GLU A 65 22.464 41.375 17.014 1.00 0.00 H ATOM 1052 H GLU A 65 19.731 38.086 18.021 1.00 0.00 H ATOM 1053 N ILE A 66 21.636 38.548 14.611 1.00 26.61 N ATOM 1054 CA ILE A 66 22.141 37.458 13.787 1.00 32.09 C ATOM 1055 C ILE A 66 23.549 37.870 13.395 1.00 32.92 C ATOM 1056 O ILE A 66 23.667 38.769 12.573 1.00 32.94 O ATOM 1057 CB ILE A 66 21.190 37.268 12.525 1.00 32.24 C ATOM 1058 CG1 ILE A 66 19.774 36.981 12.943 1.00 30.40 C ATOM 1059 CG2 ILE A 66 21.690 36.127 11.666 1.00 29.04 C ATOM 1060 CD1 ILE A 66 18.739 37.497 11.964 1.00 35.76 C ATOM 1061 HA ILE A 66 22.159 36.499 14.304 1.00 0.00 H ATOM 1062 HB ILE A 66 21.205 38.199 11.958 1.00 0.00 H ATOM 1063 HG12 ILE A 66 19.653 35.902 13.036 1.00 0.00 H ATOM 1064 HG13 ILE A 66 19.598 37.450 13.911 1.00 0.00 H ATOM 1065 HD11 ILE A 66 18.839 38.578 11.868 1.00 0.00 H ATOM 1066 HD12 ILE A 66 18.895 37.029 10.992 1.00 0.00 H ATOM 1067 HD13 ILE A 66 17.741 37.254 12.330 1.00 0.00 H ATOM 1068 HG21 ILE A 66 22.701 36.348 11.324 1.00 0.00 H ATOM 1069 HG22 ILE A 66 21.696 35.208 12.252 1.00 0.00 H ATOM 1070 HG23 ILE A 66 21.032 36.006 10.806 1.00 0.00 H ATOM 1071 H ILE A 66 21.480 39.477 14.169 1.00 0.00 H ATOM 1072 N CYS A 67 24.655 37.346 13.936 1.00 35.80 N ATOM 1073 CA CYS A 67 25.990 37.802 13.583 1.00 41.22 C ATOM 1074 C CYS A 67 26.208 39.288 13.743 1.00 41.84 C ATOM 1075 O CYS A 67 26.664 39.991 12.821 1.00 43.83 O ATOM 1076 CB CYS A 67 26.326 37.487 12.143 1.00 44.60 C ATOM 1077 SG CYS A 67 26.737 35.769 12.007 1.00 50.05 S ATOM 1078 HA CYS A 67 26.630 37.266 14.284 1.00 0.00 H ATOM 1079 HB2 CYS A 67 27.175 38.092 11.825 1.00 0.00 H ATOM 1080 HB3 CYS A 67 25.466 37.708 11.510 1.00 0.00 H ATOM 1081 HG CYS A 67 27.825 35.493 12.810 1.00 0.00 H ATOM 1082 H CYS A 67 24.556 36.583 14.636 1.00 0.00 H ATOM 1083 N GLY A 68 25.772 39.820 14.885 1.00 42.18 N ATOM 1084 CA GLY A 68 25.903 41.263 15.119 1.00 40.96 C ATOM 1085 C GLY A 68 24.800 42.120 14.477 1.00 43.04 C ATOM 1086 O GLY A 68 24.623 43.299 14.805 1.00 44.66 O ATOM 1087 HA3 GLY A 68 26.863 41.587 14.716 1.00 0.00 H ATOM 1088 HA2 GLY A 68 25.885 41.436 16.195 1.00 0.00 H ATOM 1089 H GLY A 68 25.339 39.213 15.610 1.00 0.00 H ATOM 1090 N HIS A 69 23.984 41.584 13.560 1.00 41.71 N ATOM 1091 CA HIS A 69 22.988 42.412 12.923 1.00 41.25 C ATOM 1092 C HIS A 69 21.702 42.208 13.712 1.00 39.86 C ATOM 1093 O HIS A 69 21.323 41.091 14.058 1.00 36.57 O ATOM 1094 CB HIS A 69 22.832 42.002 11.463 1.00 42.84 C ATOM 1095 CG HIS A 69 24.104 42.100 10.629 1.00 46.63 C ATOM 1096 ND1 HIS A 69 25.372 41.695 10.861 1.00 50.08 N ATOM 1097 CD2 HIS A 69 24.105 42.677 9.383 1.00 47.49 C ATOM 1098 CE1 HIS A 69 26.106 42.018 9.806 1.00 50.51 C ATOM 1099 NE2 HIS A 69 25.315 42.595 8.925 1.00 51.13 N ATOM 1100 HA HIS A 69 23.265 43.466 12.921 1.00 0.00 H ATOM 1101 HB2 HIS A 69 22.488 40.968 11.436 1.00 0.00 H ATOM 1102 HB3 HIS A 69 22.079 42.646 11.009 1.00 0.00 H ATOM 1103 HD2 HIS A 69 23.249 43.121 8.874 1.00 0.00 H ATOM 1104 HE1 HIS A 69 27.175 41.838 9.688 1.00 0.00 H ATOM 1105 H HIS A 69 24.067 40.578 13.309 1.00 0.00 H ATOM 1106 N LYS A 70 21.067 43.318 14.062 1.00 38.94 N ATOM 1107 CA LYS A 70 19.876 43.277 14.849 1.00 39.15 C ATOM 1108 C LYS A 70 18.753 43.139 13.845 1.00 37.37 C ATOM 1109 O LYS A 70 18.817 43.798 12.778 1.00 37.24 O ATOM 1110 CB LYS A 70 19.799 44.555 15.658 1.00 41.15 C ATOM 1111 CG LYS A 70 20.633 44.337 16.895 1.00 45.25 C ATOM 1112 CD LYS A 70 20.057 45.149 18.047 1.00 54.43 C ATOM 1113 CE LYS A 70 20.649 46.580 18.250 1.00 60.96 C ATOM 1114 NZ LYS A 70 19.882 47.354 19.244 1.00 64.53 N ATOM 1115 HA LYS A 70 19.833 42.456 15.564 1.00 0.00 H ATOM 1116 HB2 LYS A 70 20.195 45.390 15.080 1.00 0.00 H ATOM 1117 HB3 LYS A 70 18.765 44.764 15.934 1.00 0.00 H ATOM 1118 HG2 LYS A 70 20.625 43.279 17.157 1.00 0.00 H ATOM 1119 HG3 LYS A 70 21.658 44.655 16.703 1.00 0.00 H ATOM 1120 HD2 LYS A 70 18.986 45.254 17.876 1.00 0.00 H ATOM 1121 HD3 LYS A 70 20.224 44.587 18.966 1.00 0.00 H ATOM 1122 HE2 LYS A 70 20.628 47.109 17.297 1.00 0.00 H ATOM 1123 HE3 LYS A 70 21.680 46.490 18.592 1.00 0.00 H ATOM 1124 HZ1 LYS A 70 18.898 47.450 18.922 1.00 0.00 H ATOM 1125 HZ2 LYS A 70 19.903 46.859 20.158 1.00 0.00 H ATOM 1126 HZ3 LYS A 70 20.307 48.297 19.350 1.00 0.00 H ATOM 1127 H LYS A 70 21.444 44.238 13.757 1.00 0.00 H ATOM 1128 N ALA A 71 17.797 42.234 14.221 1.00 34.42 N ATOM 1129 CA ALA A 71 16.571 41.877 13.466 1.00 30.04 C ATOM 1130 C ALA A 71 15.323 41.847 14.351 1.00 26.75 C ATOM 1131 O ALA A 71 15.454 41.405 15.484 1.00 30.10 O ATOM 1132 CB ALA A 71 16.736 40.471 12.812 1.00 32.79 C ATOM 1133 HA ALA A 71 16.439 42.649 12.708 1.00 0.00 H ATOM 1134 HB1 ALA A 71 17.586 40.487 12.130 1.00 0.00 H ATOM 1135 HB2 ALA A 71 16.907 39.727 13.590 1.00 0.00 H ATOM 1136 HB3 ALA A 71 15.830 40.220 12.261 1.00 0.00 H ATOM 1137 H ALA A 71 17.945 41.747 15.128 1.00 0.00 H ATOM 1138 N ILE A 72 14.122 42.303 14.003 1.00 25.18 N ATOM 1139 CA ILE A 72 12.935 42.166 14.824 1.00 25.98 C ATOM 1140 C ILE A 72 11.973 41.344 13.938 1.00 22.53 C ATOM 1141 O ILE A 72 11.919 41.567 12.729 1.00 22.76 O ATOM 1142 CB ILE A 72 12.193 43.567 15.238 1.00 27.08 C ATOM 1143 CG1 ILE A 72 12.402 43.885 16.682 1.00 29.89 C ATOM 1144 CG2 ILE A 72 10.696 43.461 15.510 1.00 29.04 C ATOM 1145 CD1 ILE A 72 13.683 44.654 16.957 1.00 32.58 C ATOM 1146 HA ILE A 72 13.211 41.717 15.778 1.00 0.00 H ATOM 1147 HB ILE A 72 12.544 44.210 14.431 1.00 0.00 H ATOM 1148 HG12 ILE A 72 11.559 44.483 17.029 1.00 0.00 H ATOM 1149 HG13 ILE A 72 12.435 42.949 17.240 1.00 0.00 H ATOM 1150 HD11 ILE A 72 14.538 44.064 16.626 1.00 0.00 H ATOM 1151 HD12 ILE A 72 13.661 45.599 16.415 1.00 0.00 H ATOM 1152 HD13 ILE A 72 13.766 44.849 18.026 1.00 0.00 H ATOM 1153 HG21 ILE A 72 10.190 43.097 14.616 1.00 0.00 H ATOM 1154 HG22 ILE A 72 10.526 42.767 16.333 1.00 0.00 H ATOM 1155 HG23 ILE A 72 10.306 44.444 15.775 1.00 0.00 H ATOM 1156 H ILE A 72 14.029 42.787 13.087 1.00 0.00 H ATOM 1157 N GLY A 73 11.224 40.364 14.466 1.00 23.21 N ATOM 1158 CA GLY A 73 10.203 39.684 13.681 1.00 21.48 C ATOM 1159 C GLY A 73 9.640 38.585 14.513 1.00 18.76 C ATOM 1160 O GLY A 73 9.980 38.477 15.696 1.00 19.24 O ATOM 1161 HA3 GLY A 73 10.646 39.272 12.774 1.00 0.00 H ATOM 1162 HA2 GLY A 73 9.414 40.386 13.412 1.00 0.00 H ATOM 1163 H GLY A 73 11.376 40.084 15.456 1.00 0.00 H ATOM 1164 N THR A 74 8.688 37.897 13.903 1.00 19.69 N ATOM 1165 CA THR A 74 8.069 36.719 14.503 1.00 20.19 C ATOM 1166 C THR A 74 9.081 35.565 14.596 1.00 21.21 C ATOM 1167 O THR A 74 9.869 35.316 13.682 1.00 21.99 O ATOM 1168 CB THR A 74 6.824 36.343 13.625 1.00 19.23 C ATOM 1169 OG1 THR A 74 6.063 37.539 13.581 1.00 22.67 O ATOM 1170 CG2 THR A 74 5.877 35.257 14.162 1.00 16.68 C ATOM 1171 HA THR A 74 7.745 36.924 15.523 1.00 0.00 H ATOM 1172 HB THR A 74 7.208 35.941 12.687 1.00 0.00 H ATOM 1173 HG1 THR A 74 5.807 37.800 14.501 1.00 0.00 H ATOM 1174 HG23 THR A 74 6.410 34.308 14.219 1.00 0.00 H ATOM 1175 HG21 THR A 74 5.529 35.539 15.155 1.00 0.00 H ATOM 1176 HG22 THR A 74 5.024 35.157 13.491 1.00 0.00 H ATOM 1177 H THR A 74 8.370 38.207 12.963 1.00 0.00 H ATOM 1178 N VAL A 75 9.069 34.871 15.711 1.00 19.96 N ATOM 1179 CA VAL A 75 9.882 33.720 15.945 1.00 20.35 C ATOM 1180 C VAL A 75 8.871 32.691 16.389 1.00 16.92 C ATOM 1181 O VAL A 75 7.945 33.007 17.116 1.00 18.56 O ATOM 1182 CB VAL A 75 10.894 34.049 17.022 1.00 19.54 C ATOM 1183 CG1 VAL A 75 11.454 32.853 17.755 1.00 22.13 C ATOM 1184 CG2 VAL A 75 12.057 34.714 16.293 1.00 17.34 C ATOM 1185 HA VAL A 75 10.462 33.373 15.090 1.00 0.00 H ATOM 1186 HB VAL A 75 10.397 34.662 17.774 1.00 0.00 H ATOM 1187 HG11 VAL A 75 10.641 32.314 18.242 1.00 0.00 H ATOM 1188 HG12 VAL A 75 11.954 32.195 17.045 1.00 0.00 H ATOM 1189 HG13 VAL A 75 12.169 33.190 18.505 1.00 0.00 H ATOM 1190 HG21 VAL A 75 12.466 34.022 15.557 1.00 0.00 H ATOM 1191 HG22 VAL A 75 11.702 35.613 15.789 1.00 0.00 H ATOM 1192 HG23 VAL A 75 12.831 34.981 17.013 1.00 0.00 H ATOM 1193 H VAL A 75 8.428 35.178 16.470 1.00 0.00 H ATOM 1194 N LEU A 76 8.935 31.470 15.868 1.00 19.53 N ATOM 1195 CA LEU A 76 8.064 30.352 16.260 1.00 18.50 C ATOM 1196 C LEU A 76 8.931 29.414 17.048 1.00 15.66 C ATOM 1197 O LEU A 76 10.104 29.243 16.712 1.00 17.13 O ATOM 1198 CB LEU A 76 7.534 29.630 15.033 1.00 15.56 C ATOM 1199 CG LEU A 76 6.906 30.500 13.943 1.00 15.20 C ATOM 1200 CD1 LEU A 76 6.492 29.520 12.839 1.00 14.73 C ATOM 1201 CD2 LEU A 76 5.687 31.282 14.405 1.00 14.18 C ATOM 1202 HA LEU A 76 7.207 30.707 16.833 1.00 0.00 H ATOM 1203 HB2 LEU A 76 8.365 29.086 14.584 1.00 0.00 H ATOM 1204 HB3 LEU A 76 6.777 28.921 15.368 1.00 0.00 H ATOM 1205 HG LEU A 76 7.625 31.254 13.621 1.00 0.00 H ATOM 1206 HD21 LEU A 76 4.919 30.588 14.746 1.00 0.00 H ATOM 1207 HD22 LEU A 76 5.970 31.944 15.224 1.00 0.00 H ATOM 1208 HD23 LEU A 76 5.300 31.873 13.575 1.00 0.00 H ATOM 1209 HD11 LEU A 76 7.373 28.992 12.474 1.00 0.00 H ATOM 1210 HD12 LEU A 76 5.778 28.802 13.242 1.00 0.00 H ATOM 1211 HD13 LEU A 76 6.032 30.072 12.019 1.00 0.00 H ATOM 1212 H LEU A 76 9.650 31.293 15.133 1.00 0.00 H ATOM 1213 N VAL A 77 8.424 28.840 18.109 1.00 18.73 N ATOM 1214 CA VAL A 77 9.256 27.987 18.987 1.00 19.79 C ATOM 1215 C VAL A 77 8.586 26.622 19.103 1.00 19.95 C ATOM 1216 O VAL A 77 7.348 26.482 19.353 1.00 19.91 O ATOM 1217 CB VAL A 77 9.362 28.680 20.356 1.00 18.12 C ATOM 1218 CG1 VAL A 77 9.942 27.766 21.388 1.00 17.86 C ATOM 1219 CG2 VAL A 77 10.342 29.853 20.202 1.00 18.49 C ATOM 1220 HA VAL A 77 10.259 27.845 18.586 1.00 0.00 H ATOM 1221 HB VAL A 77 8.365 28.991 20.669 1.00 0.00 H ATOM 1222 HG11 VAL A 77 9.305 26.888 21.493 1.00 0.00 H ATOM 1223 HG12 VAL A 77 10.940 27.457 21.078 1.00 0.00 H ATOM 1224 HG13 VAL A 77 10.002 28.289 22.342 1.00 0.00 H ATOM 1225 HG21 VAL A 77 11.315 29.473 19.889 1.00 0.00 H ATOM 1226 HG22 VAL A 77 9.962 30.546 19.451 1.00 0.00 H ATOM 1227 HG23 VAL A 77 10.442 30.369 21.157 1.00 0.00 H ATOM 1228 H VAL A 77 7.420 28.986 18.339 1.00 0.00 H ATOM 1229 N GLY A 78 9.386 25.578 18.936 1.00 20.84 N ATOM 1230 CA GLY A 78 8.738 24.285 19.009 1.00 19.49 C ATOM 1231 C GLY A 78 9.657 23.189 18.569 1.00 20.96 C ATOM 1232 O GLY A 78 10.861 23.443 18.469 1.00 18.89 O ATOM 1233 HA3 GLY A 78 7.859 24.291 18.365 1.00 0.00 H ATOM 1234 HA2 GLY A 78 8.431 24.099 20.038 1.00 0.00 H ATOM 1235 H GLY A 78 10.407 25.680 18.765 1.00 0.00 H ATOM 1236 N PRO A 79 9.141 21.968 18.371 1.00 22.45 N ATOM 1237 CA PRO A 79 9.971 20.794 18.251 1.00 24.63 C ATOM 1238 C PRO A 79 10.643 20.757 16.907 1.00 24.22 C ATOM 1239 O PRO A 79 10.573 19.771 16.204 1.00 26.56 O ATOM 1240 CB PRO A 79 9.026 19.646 18.517 1.00 23.48 C ATOM 1241 CG PRO A 79 7.704 20.208 18.058 1.00 23.39 C ATOM 1242 CD PRO A 79 7.730 21.635 18.490 1.00 24.23 C ATOM 1243 HA PRO A 79 10.804 20.762 18.953 1.00 0.00 H ATOM 1244 HD3 PRO A 79 7.120 22.257 17.835 1.00 0.00 H ATOM 1245 HD2 PRO A 79 7.384 21.743 19.518 1.00 0.00 H ATOM 1246 HG3 PRO A 79 6.876 19.678 18.529 1.00 0.00 H ATOM 1247 HG2 PRO A 79 7.610 20.136 16.974 1.00 0.00 H ATOM 1248 HB2 PRO A 79 9.303 18.764 17.939 1.00 0.00 H ATOM 1249 HB3 PRO A 79 9.001 19.392 19.577 1.00 0.00 H ATOM 1250 N THR A 80 11.355 21.771 16.500 1.00 25.16 N ATOM 1251 CA THR A 80 12.031 21.718 15.240 1.00 20.70 C ATOM 1252 C THR A 80 13.323 20.948 15.542 1.00 22.29 C ATOM 1253 O THR A 80 13.944 21.113 16.606 1.00 23.09 O ATOM 1254 CB THR A 80 12.298 23.145 14.770 1.00 15.27 C ATOM 1255 OG1 THR A 80 13.093 23.007 13.601 1.00 16.86 O ATOM 1256 CG2 THR A 80 13.049 23.980 15.749 1.00 12.04 C ATOM 1257 HA THR A 80 11.467 21.231 14.444 1.00 0.00 H ATOM 1258 HB THR A 80 11.345 23.651 14.618 1.00 0.00 H ATOM 1259 HG1 THR A 80 13.933 22.534 13.828 1.00 0.00 H ATOM 1260 HG23 THR A 80 12.455 24.098 16.655 1.00 0.00 H ATOM 1261 HG21 THR A 80 13.992 23.492 15.993 1.00 0.00 H ATOM 1262 HG22 THR A 80 13.247 24.959 15.313 1.00 0.00 H ATOM 1263 H THR A 80 11.432 22.622 17.094 1.00 0.00 H ATOM 1264 N PRO A 81 13.738 20.100 14.592 1.00 23.10 N ATOM 1265 CA PRO A 81 15.009 19.427 14.668 1.00 22.87 C ATOM 1266 C PRO A 81 16.157 20.401 14.618 1.00 24.84 C ATOM 1267 O PRO A 81 17.252 19.997 15.006 1.00 23.32 O ATOM 1268 CB PRO A 81 15.056 18.468 13.496 1.00 22.03 C ATOM 1269 CG PRO A 81 13.829 18.727 12.613 1.00 23.65 C ATOM 1270 CD PRO A 81 13.047 19.821 13.312 1.00 22.38 C ATOM 1271 HA PRO A 81 15.108 18.897 15.615 1.00 0.00 H ATOM 1272 HD3 PRO A 81 13.026 20.719 12.695 1.00 0.00 H ATOM 1273 HD2 PRO A 81 12.027 19.488 13.502 1.00 0.00 H ATOM 1274 HG3 PRO A 81 13.225 17.824 12.526 1.00 0.00 H ATOM 1275 HG2 PRO A 81 14.137 19.054 11.620 1.00 0.00 H ATOM 1276 HB2 PRO A 81 15.967 18.633 12.920 1.00 0.00 H ATOM 1277 HB3 PRO A 81 15.039 17.440 13.859 1.00 0.00 H ATOM 1278 N VAL A 82 16.032 21.624 14.083 1.00 22.42 N ATOM 1279 CA VAL A 82 17.197 22.456 13.938 1.00 21.52 C ATOM 1280 C VAL A 82 16.645 23.855 14.009 1.00 21.97 C ATOM 1281 O VAL A 82 15.461 24.086 13.742 1.00 19.79 O ATOM 1282 CB VAL A 82 17.907 22.095 12.562 1.00 21.21 C ATOM 1283 CG1 VAL A 82 17.117 22.488 11.374 1.00 20.88 C ATOM 1284 CG2 VAL A 82 19.145 22.890 12.409 1.00 25.12 C ATOM 1285 HA VAL A 82 17.969 22.325 14.697 1.00 0.00 H ATOM 1286 HB VAL A 82 18.057 21.016 12.605 1.00 0.00 H ATOM 1287 HG11 VAL A 82 16.156 21.975 11.392 1.00 0.00 H ATOM 1288 HG12 VAL A 82 16.955 23.566 11.387 1.00 0.00 H ATOM 1289 HG13 VAL A 82 17.660 22.212 10.470 1.00 0.00 H ATOM 1290 HG21 VAL A 82 18.897 23.951 12.418 1.00 0.00 H ATOM 1291 HG22 VAL A 82 19.823 22.667 13.233 1.00 0.00 H ATOM 1292 HG23 VAL A 82 19.624 22.636 11.464 1.00 0.00 H ATOM 1293 H VAL A 82 15.100 21.969 13.775 1.00 0.00 H ATOM 1294 N ASN A 83 17.489 24.739 14.510 1.00 21.65 N ATOM 1295 CA ASN A 83 17.149 26.126 14.552 1.00 20.76 C ATOM 1296 C ASN A 83 17.225 26.704 13.170 1.00 15.49 C ATOM 1297 O ASN A 83 18.283 26.631 12.588 1.00 18.35 O ATOM 1298 CB ASN A 83 18.105 26.849 15.451 1.00 20.33 C ATOM 1299 CG ASN A 83 17.864 26.579 16.918 1.00 21.79 C ATOM 1300 OD1 ASN A 83 16.797 26.201 17.342 1.00 22.63 O ATOM 1301 ND2 ASN A 83 18.846 26.713 17.775 1.00 28.49 N ATOM 1302 HA ASN A 83 16.135 26.239 14.936 1.00 0.00 H ATOM 1303 HB2 ASN A 83 19.119 26.535 15.203 1.00 0.00 H ATOM 1304 HB3 ASN A 83 18.004 27.920 15.275 1.00 0.00 H ATOM 1305 HD22 ASN A 83 19.780 27.036 17.450 1.00 0.00 H ATOM 1306 HD21 ASN A 83 18.692 26.496 18.780 1.00 0.00 H ATOM 1307 H ASN A 83 18.409 24.423 14.877 1.00 0.00 H ATOM 1308 N ILE A 84 16.139 27.278 12.687 1.00 17.06 N ATOM 1309 CA ILE A 84 15.992 27.844 11.350 1.00 15.62 C ATOM 1310 C ILE A 84 15.737 29.342 11.363 1.00 12.22 C ATOM 1311 O ILE A 84 14.698 29.761 11.900 1.00 14.03 O ATOM 1312 CB ILE A 84 14.790 27.102 10.657 1.00 12.14 C ATOM 1313 CG1 ILE A 84 15.175 25.667 10.391 1.00 13.18 C ATOM 1314 CG2 ILE A 84 14.434 27.744 9.343 1.00 14.76 C ATOM 1315 CD1 ILE A 84 13.820 25.013 10.210 1.00 21.08 C ATOM 1316 HA ILE A 84 16.926 27.702 10.806 1.00 0.00 H ATOM 1317 HB ILE A 84 13.931 27.160 11.325 1.00 0.00 H ATOM 1318 HG12 ILE A 84 15.782 25.579 9.490 1.00 0.00 H ATOM 1319 HG13 ILE A 84 15.714 25.237 11.235 1.00 0.00 H ATOM 1320 HD11 ILE A 84 13.233 25.139 11.120 1.00 0.00 H ATOM 1321 HD12 ILE A 84 13.301 25.481 9.373 1.00 0.00 H ATOM 1322 HD13 ILE A 84 13.955 23.951 10.007 1.00 0.00 H ATOM 1323 HG21 ILE A 84 14.149 28.782 9.513 1.00 0.00 H ATOM 1324 HG22 ILE A 84 15.296 27.706 8.676 1.00 0.00 H ATOM 1325 HG23 ILE A 84 13.600 27.206 8.892 1.00 0.00 H ATOM 1326 H ILE A 84 15.313 27.332 13.317 1.00 0.00 H ATOM 1327 N ILE A 85 16.596 30.103 10.690 1.00 13.77 N ATOM 1328 CA ILE A 85 16.282 31.535 10.446 1.00 14.17 C ATOM 1329 C ILE A 85 15.688 31.588 9.061 1.00 7.66 C ATOM 1330 O ILE A 85 16.464 31.333 8.158 1.00 12.80 O ATOM 1331 CB ILE A 85 17.577 32.501 10.535 1.00 16.06 C ATOM 1332 CG1 ILE A 85 18.232 32.272 11.961 1.00 15.50 C ATOM 1333 CG2 ILE A 85 17.247 34.021 10.383 1.00 12.70 C ATOM 1334 CD1 ILE A 85 17.444 32.606 13.244 1.00 16.46 C ATOM 1335 HA ILE A 85 15.602 31.900 11.216 1.00 0.00 H ATOM 1336 HB ILE A 85 18.240 32.245 9.708 1.00 0.00 H ATOM 1337 HG12 ILE A 85 18.493 31.215 12.020 1.00 0.00 H ATOM 1338 HG13 ILE A 85 19.142 32.871 11.987 1.00 0.00 H ATOM 1339 HD11 ILE A 85 17.184 33.665 13.244 1.00 0.00 H ATOM 1340 HD12 ILE A 85 16.534 32.007 13.276 1.00 0.00 H ATOM 1341 HD13 ILE A 85 18.059 32.382 14.115 1.00 0.00 H ATOM 1342 HG21 ILE A 85 16.781 34.195 9.413 1.00 0.00 H ATOM 1343 HG22 ILE A 85 16.563 34.324 11.176 1.00 0.00 H ATOM 1344 HG23 ILE A 85 18.168 34.600 10.454 1.00 0.00 H ATOM 1345 H ILE A 85 17.485 29.697 10.335 1.00 0.00 H ATOM 1346 N GLY A 86 14.387 31.877 8.933 1.00 9.37 N ATOM 1347 CA GLY A 86 13.660 31.911 7.671 1.00 11.59 C ATOM 1348 C GLY A 86 13.691 33.282 7.022 1.00 12.58 C ATOM 1349 O GLY A 86 14.259 34.224 7.558 1.00 11.90 O ATOM 1350 HA3 GLY A 86 12.622 31.635 7.857 1.00 0.00 H ATOM 1351 HA2 GLY A 86 14.110 31.190 6.988 1.00 0.00 H ATOM 1352 H GLY A 86 13.855 32.094 9.800 1.00 0.00 H ATOM 1353 N ARG A 87 13.101 33.426 5.842 1.00 12.86 N ATOM 1354 CA ARG A 87 13.130 34.654 5.099 1.00 12.51 C ATOM 1355 C ARG A 87 12.572 35.880 5.860 1.00 14.61 C ATOM 1356 O ARG A 87 13.118 36.971 5.615 1.00 17.07 O ATOM 1357 CB ARG A 87 12.374 34.506 3.832 1.00 12.48 C ATOM 1358 CG ARG A 87 13.094 33.563 2.870 1.00 10.48 C ATOM 1359 CD ARG A 87 12.410 33.636 1.513 1.00 9.90 C ATOM 1360 NE ARG A 87 10.978 33.324 1.611 1.00 10.73 N ATOM 1361 CZ ARG A 87 9.957 34.193 1.570 1.00 11.88 C ATOM 1362 NH1 ARG A 87 10.114 35.515 1.495 1.00 17.55 N ATOM 1363 NH2 ARG A 87 8.731 33.709 1.659 1.00 13.26 N ATOM 1364 HA ARG A 87 14.187 34.847 4.915 1.00 0.00 H ATOM 1365 HB2 ARG A 87 11.385 34.104 4.052 1.00 0.00 H ATOM 1366 HB3 ARG A 87 12.271 35.484 3.362 1.00 0.00 H ATOM 1367 HG2 ARG A 87 14.137 33.864 2.772 1.00 0.00 H ATOM 1368 HG3 ARG A 87 13.046 32.543 3.251 1.00 0.00 H ATOM 1369 HD2 ARG A 87 12.883 32.921 0.840 1.00 0.00 H ATOM 1370 HD3 ARG A 87 12.526 34.643 1.112 1.00 0.00 H ATOM 1371 HE ARG A 87 10.729 32.321 1.724 1.00 0.00 H ATOM 1372 HH12 ARG A 87 9.281 36.137 1.466 1.00 0.00 H ATOM 1373 HH11 ARG A 87 11.070 35.924 1.465 1.00 0.00 H ATOM 1374 HH22 ARG A 87 7.915 34.353 1.631 1.00 0.00 H ATOM 1375 HH21 ARG A 87 8.582 32.684 1.757 1.00 0.00 H ATOM 1376 H ARG A 87 12.595 32.613 5.437 1.00 0.00 H ATOM 1377 N ASN A 88 11.674 35.718 6.844 1.00 11.99 N ATOM 1378 CA ASN A 88 11.154 36.846 7.598 1.00 12.91 C ATOM 1379 C ASN A 88 12.204 37.630 8.375 1.00 14.81 C ATOM 1380 O ASN A 88 12.075 38.821 8.564 1.00 15.49 O ATOM 1381 CB ASN A 88 10.054 36.378 8.531 1.00 11.73 C ATOM 1382 CG ASN A 88 10.490 35.716 9.825 1.00 15.61 C ATOM 1383 OD1 ASN A 88 11.231 34.744 9.797 1.00 17.70 O ATOM 1384 ND2 ASN A 88 10.157 36.237 10.996 1.00 16.68 N ATOM 1385 HA ASN A 88 10.761 37.543 6.857 1.00 0.00 H ATOM 1386 HB2 ASN A 88 9.451 37.247 8.792 1.00 0.00 H ATOM 1387 HB3 ASN A 88 9.440 35.662 7.985 1.00 0.00 H ATOM 1388 HD22 ASN A 88 9.528 37.064 11.037 1.00 0.00 H ATOM 1389 HD21 ASN A 88 10.525 35.819 11.875 1.00 0.00 H ATOM 1390 H ASN A 88 11.341 34.760 7.073 1.00 0.00 H ATOM 1391 N LEU A 89 13.294 37.043 8.786 1.00 13.39 N ATOM 1392 CA LEU A 89 14.401 37.728 9.415 1.00 17.16 C ATOM 1393 C LEU A 89 15.616 37.926 8.472 1.00 19.04 C ATOM 1394 O LEU A 89 16.377 38.901 8.615 1.00 18.70 O ATOM 1395 CB LEU A 89 14.783 36.930 10.690 1.00 18.60 C ATOM 1396 CG LEU A 89 14.365 37.421 12.072 1.00 26.39 C ATOM 1397 CD1 LEU A 89 13.031 38.127 12.057 1.00 24.89 C ATOM 1398 CD2 LEU A 89 14.339 36.204 12.979 1.00 25.70 C ATOM 1399 HA LEU A 89 14.091 38.740 9.676 1.00 0.00 H ATOM 1400 HB2 LEU A 89 14.358 35.933 10.572 1.00 0.00 H ATOM 1401 HB3 LEU A 89 15.871 36.861 10.700 1.00 0.00 H ATOM 1402 HG LEU A 89 15.076 38.164 12.433 1.00 0.00 H ATOM 1403 HD21 LEU A 89 13.623 35.479 12.592 1.00 0.00 H ATOM 1404 HD22 LEU A 89 15.332 35.755 13.011 1.00 0.00 H ATOM 1405 HD23 LEU A 89 14.044 36.507 13.983 1.00 0.00 H ATOM 1406 HD11 LEU A 89 13.087 38.992 11.396 1.00 0.00 H ATOM 1407 HD12 LEU A 89 12.263 37.442 11.698 1.00 0.00 H ATOM 1408 HD13 LEU A 89 12.784 38.455 13.067 1.00 0.00 H ATOM 1409 H LEU A 89 13.372 36.015 8.652 1.00 0.00 H ATOM 1410 N LEU A 90 15.804 37.046 7.442 1.00 15.55 N ATOM 1411 CA LEU A 90 16.946 37.161 6.524 1.00 16.70 C ATOM 1412 C LEU A 90 16.814 38.474 5.749 1.00 13.77 C ATOM 1413 O LEU A 90 17.822 39.135 5.470 1.00 14.04 O ATOM 1414 CB LEU A 90 17.041 35.956 5.476 1.00 15.58 C ATOM 1415 CG LEU A 90 17.307 34.492 5.968 1.00 15.90 C ATOM 1416 CD1 LEU A 90 17.106 33.470 4.854 1.00 11.08 C ATOM 1417 CD2 LEU A 90 18.740 34.434 6.536 1.00 13.47 C ATOM 1418 HA LEU A 90 17.852 37.131 7.129 1.00 0.00 H ATOM 1419 HB2 LEU A 90 16.095 35.937 4.935 1.00 0.00 H ATOM 1420 HB3 LEU A 90 17.847 36.205 4.786 1.00 0.00 H ATOM 1421 HG LEU A 90 16.587 34.232 6.744 1.00 0.00 H ATOM 1422 HD21 LEU A 90 19.450 34.704 5.755 1.00 0.00 H ATOM 1423 HD22 LEU A 90 18.829 35.133 7.367 1.00 0.00 H ATOM 1424 HD23 LEU A 90 18.950 33.423 6.886 1.00 0.00 H ATOM 1425 HD11 LEU A 90 16.080 33.527 4.491 1.00 0.00 H ATOM 1426 HD12 LEU A 90 17.794 33.685 4.037 1.00 0.00 H ATOM 1427 HD13 LEU A 90 17.301 32.470 5.241 1.00 0.00 H ATOM 1428 H LEU A 90 15.120 36.274 7.305 1.00 0.00 H ATOM 1429 N THR A 91 15.604 38.886 5.451 1.00 14.07 N ATOM 1430 CA THR A 91 15.486 40.155 4.723 1.00 18.13 C ATOM 1431 C THR A 91 15.897 41.311 5.623 1.00 18.37 C ATOM 1432 O THR A 91 16.387 42.304 5.142 1.00 19.24 O ATOM 1433 CB THR A 91 14.076 40.366 4.274 1.00 14.05 C ATOM 1434 OG1 THR A 91 13.280 40.305 5.442 1.00 15.63 O ATOM 1435 CG2 THR A 91 13.636 39.336 3.283 1.00 12.43 C ATOM 1436 HA THR A 91 16.141 40.115 3.853 1.00 0.00 H ATOM 1437 HB THR A 91 13.981 41.325 3.765 1.00 0.00 H ATOM 1438 HG1 THR A 91 12.330 40.440 5.200 1.00 0.00 H ATOM 1439 HG23 THR A 91 14.261 39.400 2.392 1.00 0.00 H ATOM 1440 HG21 THR A 91 13.732 38.344 3.725 1.00 0.00 H ATOM 1441 HG22 THR A 91 12.596 39.516 3.012 1.00 0.00 H ATOM 1442 H THR A 91 14.763 38.336 5.720 1.00 0.00 H ATOM 1443 N GLN A 92 15.726 41.190 6.935 1.00 17.18 N ATOM 1444 CA GLN A 92 16.028 42.252 7.850 1.00 15.29 C ATOM 1445 C GLN A 92 17.499 42.456 8.013 1.00 20.23 C ATOM 1446 O GLN A 92 17.932 43.568 8.298 1.00 20.55 O ATOM 1447 CB GLN A 92 15.391 41.937 9.157 1.00 15.26 C ATOM 1448 CG GLN A 92 13.846 41.940 9.021 1.00 12.59 C ATOM 1449 CD GLN A 92 13.251 43.204 8.427 1.00 16.91 C ATOM 1450 OE1 GLN A 92 12.882 43.332 7.269 1.00 16.62 O ATOM 1451 NE2 GLN A 92 13.120 44.239 9.191 1.00 12.56 N ATOM 1452 HA GLN A 92 15.632 43.186 7.450 1.00 0.00 H ATOM 1453 HB2 GLN A 92 15.721 40.953 9.489 1.00 0.00 H ATOM 1454 HB3 GLN A 92 15.689 42.685 9.891 1.00 0.00 H ATOM 1455 HG2 GLN A 92 13.562 41.102 8.385 1.00 0.00 H ATOM 1456 HG3 GLN A 92 13.420 41.801 10.014 1.00 0.00 H ATOM 1457 HE22 GLN A 92 13.416 44.191 10.187 1.00 0.00 H ATOM 1458 HE21 GLN A 92 12.718 45.119 8.810 1.00 0.00 H ATOM 1459 H GLN A 92 15.360 40.293 7.312 1.00 0.00 H ATOM 1460 N ILE A 93 18.331 41.435 7.832 1.00 18.16 N ATOM 1461 CA ILE A 93 19.755 41.636 7.920 1.00 19.75 C ATOM 1462 C ILE A 93 20.362 41.885 6.581 1.00 17.24 C ATOM 1463 O ILE A 93 21.576 41.998 6.501 1.00 21.33 O ATOM 1464 CB ILE A 93 20.511 40.456 8.530 1.00 19.88 C ATOM 1465 CG1 ILE A 93 20.426 39.176 7.708 1.00 22.28 C ATOM 1466 CG2 ILE A 93 19.962 40.386 9.964 1.00 21.54 C ATOM 1467 CD1 ILE A 93 21.231 38.102 8.448 1.00 26.77 C ATOM 1468 HA ILE A 93 19.856 42.503 8.572 1.00 0.00 H ATOM 1469 HB ILE A 93 21.593 40.591 8.537 1.00 0.00 H ATOM 1470 HG12 ILE A 93 19.386 38.863 7.612 1.00 0.00 H ATOM 1471 HG13 ILE A 93 20.848 39.341 6.716 1.00 0.00 H ATOM 1472 HD11 ILE A 93 22.267 38.427 8.543 1.00 0.00 H ATOM 1473 HD12 ILE A 93 20.805 37.949 9.439 1.00 0.00 H ATOM 1474 HD13 ILE A 93 21.192 37.169 7.886 1.00 0.00 H ATOM 1475 HG21 ILE A 93 20.170 41.325 10.478 1.00 0.00 H ATOM 1476 HG22 ILE A 93 18.885 40.219 9.932 1.00 0.00 H ATOM 1477 HG23 ILE A 93 20.442 39.565 10.496 1.00 0.00 H ATOM 1478 H ILE A 93 17.953 40.488 7.626 1.00 0.00 H ATOM 1479 N GLY A 94 19.517 42.024 5.571 1.00 17.81 N ATOM 1480 CA GLY A 94 19.987 42.322 4.256 1.00 18.94 C ATOM 1481 C GLY A 94 20.592 41.156 3.504 1.00 20.06 C ATOM 1482 O GLY A 94 21.483 41.317 2.674 1.00 18.05 O ATOM 1483 HA3 GLY A 94 20.746 43.100 4.338 1.00 0.00 H ATOM 1484 HA2 GLY A 94 19.145 42.697 3.674 1.00 0.00 H ATOM 1485 H GLY A 94 18.496 41.915 5.738 1.00 0.00 H ATOM 1486 N CYS A 95 20.060 39.985 3.766 1.00 19.13 N ATOM 1487 CA CYS A 95 20.601 38.781 3.134 1.00 18.07 C ATOM 1488 C CYS A 95 20.084 38.524 1.710 1.00 15.37 C ATOM 1489 O CYS A 95 18.893 38.654 1.376 1.00 19.44 O ATOM 1490 CB CYS A 95 20.277 37.635 4.115 1.00 18.96 C ATOM 1491 SG CYS A 95 21.250 36.160 3.882 1.00 28.12 S ATOM 1492 HA CYS A 95 21.674 38.883 2.969 1.00 0.00 H ATOM 1493 HB2 CYS A 95 19.226 37.372 3.995 1.00 0.00 H ATOM 1494 HB3 CYS A 95 20.446 37.997 5.129 1.00 0.00 H ATOM 1495 HG CYS A 95 20.874 35.211 4.811 1.00 0.00 H ATOM 1496 H CYS A 95 19.256 39.913 4.421 1.00 0.00 H ATOM 1497 N THR A 96 21.003 38.295 0.780 1.00 15.80 N ATOM 1498 CA THR A 96 20.678 37.871 -0.577 1.00 16.39 C ATOM 1499 C THR A 96 21.439 36.568 -0.992 1.00 18.41 C ATOM 1500 O THR A 96 22.479 36.149 -0.399 1.00 15.60 O ATOM 1501 CB THR A 96 21.027 38.958 -1.620 1.00 17.32 C ATOM 1502 OG1 THR A 96 22.402 39.190 -1.450 1.00 17.48 O ATOM 1503 CG2 THR A 96 20.306 40.298 -1.466 1.00 18.46 C ATOM 1504 HA THR A 96 19.604 37.686 -0.566 1.00 0.00 H ATOM 1505 HB THR A 96 20.719 38.589 -2.598 1.00 0.00 H ATOM 1506 HG1 THR A 96 22.571 39.500 -0.525 1.00 0.00 H ATOM 1507 HG23 THR A 96 19.234 40.149 -1.593 1.00 0.00 H ATOM 1508 HG21 THR A 96 20.503 40.703 -0.473 1.00 0.00 H ATOM 1509 HG22 THR A 96 20.670 40.994 -2.222 1.00 0.00 H ATOM 1510 H THR A 96 22.004 38.424 1.031 1.00 0.00 H ATOM 1511 N LEU A 97 20.866 35.970 -2.063 1.00 18.43 N ATOM 1512 CA LEU A 97 21.379 34.834 -2.806 1.00 20.23 C ATOM 1513 C LEU A 97 22.075 35.407 -4.021 1.00 19.03 C ATOM 1514 O LEU A 97 21.527 36.225 -4.701 1.00 19.11 O ATOM 1515 CB LEU A 97 20.228 33.994 -3.215 1.00 20.82 C ATOM 1516 CG LEU A 97 20.116 32.585 -2.761 1.00 26.01 C ATOM 1517 CD1 LEU A 97 20.935 32.329 -1.538 1.00 26.60 C ATOM 1518 CD2 LEU A 97 18.671 32.321 -2.466 1.00 25.06 C ATOM 1519 HA LEU A 97 22.068 34.222 -2.223 1.00 0.00 H ATOM 1520 HB2 LEU A 97 19.330 34.505 -2.867 1.00 0.00 H ATOM 1521 HB3 LEU A 97 20.232 33.970 -4.305 1.00 0.00 H ATOM 1522 HG LEU A 97 20.491 31.923 -3.542 1.00 0.00 H ATOM 1523 HD21 LEU A 97 18.331 33.002 -1.686 1.00 0.00 H ATOM 1524 HD22 LEU A 97 18.082 32.479 -3.370 1.00 0.00 H ATOM 1525 HD23 LEU A 97 18.553 31.291 -2.129 1.00 0.00 H ATOM 1526 HD11 LEU A 97 21.983 32.537 -1.754 1.00 0.00 H ATOM 1527 HD12 LEU A 97 20.593 32.977 -0.731 1.00 0.00 H ATOM 1528 HD13 LEU A 97 20.824 31.286 -1.240 1.00 0.00 H ATOM 1529 H LEU A 97 19.961 36.367 -2.388 1.00 0.00 H ATOM 1530 N ASN A 98 23.297 35.025 -4.300 1.00 18.58 N ATOM 1531 CA ASN A 98 24.090 35.535 -5.363 1.00 20.11 C ATOM 1532 C ASN A 98 24.742 34.413 -6.156 1.00 22.83 C ATOM 1533 O ASN A 98 25.427 33.577 -5.530 1.00 20.41 O ATOM 1534 CB ASN A 98 25.196 36.382 -4.801 1.00 20.17 C ATOM 1535 CG ASN A 98 24.747 37.645 -4.111 1.00 28.53 C ATOM 1536 OD1 ASN A 98 24.592 38.702 -4.712 1.00 32.54 O ATOM 1537 ND2 ASN A 98 24.582 37.585 -2.800 1.00 30.55 N ATOM 1538 HA ASN A 98 23.433 36.112 -6.014 1.00 0.00 H ATOM 1539 HB2 ASN A 98 25.749 35.781 -4.079 1.00 0.00 H ATOM 1540 HB3 ASN A 98 25.857 36.662 -5.621 1.00 0.00 H ATOM 1541 HD22 ASN A 98 24.716 36.683 -2.300 1.00 0.00 H ATOM 1542 HD21 ASN A 98 24.318 38.440 -2.269 1.00 0.00 H ATOM 1543 H ASN A 98 23.719 34.291 -3.696 1.00 0.00 H ATOM 1544 N PHE A 99 24.585 34.403 -7.494 1.00 22.68 N ATOM 1545 CA PHE A 99 25.310 33.504 -8.399 1.00 27.77 C ATOM 1546 C PHE A 99 25.387 34.069 -9.832 1.00 29.60 C ATOM 1547 O PHE A 99 24.925 35.171 -10.055 1.00 34.28 O ATOM 1548 CB PHE A 99 24.617 32.129 -8.373 1.00 26.73 C ATOM 1549 CG PHE A 99 23.161 32.134 -8.796 1.00 26.75 C ATOM 1550 CD1 PHE A 99 22.173 32.518 -7.901 1.00 28.12 C ATOM 1551 CD2 PHE A 99 22.834 31.746 -10.092 1.00 30.05 C ATOM 1552 CE1 PHE A 99 20.851 32.509 -8.312 1.00 29.58 C ATOM 1553 CE2 PHE A 99 21.503 31.733 -10.501 1.00 32.20 C ATOM 1554 CZ PHE A 99 20.517 32.119 -9.602 1.00 29.95 C ATOM 1555 HA PHE A 99 26.341 33.405 -8.058 1.00 0.00 H ATOM 1556 OXT PHE A 99 25.850 33.433 -10.773 1.00 37.63 O ATOM 1557 HB2 PHE A 99 25.161 31.464 -9.043 1.00 0.00 H ATOM 1558 HB3 PHE A 99 24.672 31.742 -7.355 1.00 0.00 H ATOM 1559 HD2 PHE A 99 23.620 31.452 -10.787 1.00 0.00 H ATOM 1560 HE2 PHE A 99 21.239 31.424 -11.512 1.00 0.00 H ATOM 1561 HZ PHE A 99 19.472 32.116 -9.912 1.00 0.00 H ATOM 1562 HE1 PHE A 99 20.067 32.810 -7.618 1.00 0.00 H ATOM 1563 HD1 PHE A 99 22.434 32.823 -6.888 1.00 0.00 H ATOM 1564 H PHE A 99 23.908 35.074 -7.911 1.00 0.00 H TER 1565 PHE A 99 ATOM 1566 N PRO B 1 22.740 36.190 -10.794 1.00 42.91 N ATOM 1567 CA PRO B 1 21.831 37.194 -10.291 1.00 40.12 C ATOM 1568 C PRO B 1 21.984 37.435 -8.790 1.00 37.32 C ATOM 1569 O PRO B 1 22.664 36.653 -8.124 1.00 38.44 O ATOM 1570 CB PRO B 1 20.429 36.703 -10.688 1.00 40.38 C ATOM 1571 CG PRO B 1 20.574 35.310 -11.259 1.00 41.72 C ATOM 1572 CD PRO B 1 21.992 35.450 -11.799 1.00 44.98 C ATOM 1573 HA PRO B 1 22.040 38.174 -10.721 1.00 0.00 H ATOM 1574 HD3 PRO B 1 22.437 34.467 -11.953 1.00 0.00 H ATOM 1575 HD2 PRO B 1 21.985 35.996 -12.743 1.00 0.00 H ATOM 1576 HG3 PRO B 1 19.849 35.109 -12.048 1.00 0.00 H ATOM 1577 HG2 PRO B 1 20.498 34.539 -10.492 1.00 0.00 H ATOM 1578 HB2 PRO B 1 19.782 36.680 -9.811 1.00 0.00 H ATOM 1579 HB3 PRO B 1 20.000 37.369 -11.437 1.00 0.00 H ATOM 1580 N GLN B 2 21.412 38.499 -8.245 1.00 33.38 N ATOM 1581 CA GLN B 2 21.419 38.698 -6.821 1.00 32.12 C ATOM 1582 C GLN B 2 19.940 38.503 -6.513 1.00 30.17 C ATOM 1583 O GLN B 2 19.093 39.018 -7.255 1.00 31.36 O ATOM 1584 CB GLN B 2 21.853 40.085 -6.493 1.00 34.43 C ATOM 1585 CG GLN B 2 21.601 40.398 -5.026 1.00 41.58 C ATOM 1586 CD GLN B 2 22.061 41.792 -4.656 1.00 48.25 C ATOM 1587 OE1 GLN B 2 21.248 42.720 -4.553 1.00 53.36 O ATOM 1588 NE2 GLN B 2 23.366 41.972 -4.442 1.00 48.95 N ATOM 1589 HA GLN B 2 22.091 38.046 -6.263 1.00 0.00 H ATOM 1590 HB2 GLN B 2 22.918 40.185 -6.702 1.00 0.00 H ATOM 1591 HB3 GLN B 2 21.295 40.789 -7.110 1.00 0.00 H ATOM 1592 HG2 GLN B 2 20.533 40.315 -4.827 1.00 0.00 H ATOM 1593 HG3 GLN B 2 22.140 39.675 -4.414 1.00 0.00 H ATOM 1594 HE22 GLN B 2 24.024 41.172 -4.537 1.00 0.00 H ATOM 1595 HE21 GLN B 2 23.725 42.912 -4.181 1.00 0.00 H ATOM 1596 H GLN B 2 20.950 39.202 -8.857 1.00 0.00 H ATOM 1597 N ILE B 3 19.541 37.766 -5.483 1.00 25.12 N ATOM 1598 CA ILE B 3 18.142 37.448 -5.288 1.00 22.23 C ATOM 1599 C ILE B 3 17.855 37.858 -3.854 1.00 20.83 C ATOM 1600 O ILE B 3 18.619 37.420 -2.981 1.00 19.53 O ATOM 1601 CB ILE B 3 17.938 35.933 -5.524 1.00 20.46 C ATOM 1602 CG1 ILE B 3 18.167 35.598 -6.994 1.00 24.79 C ATOM 1603 CG2 ILE B 3 16.520 35.511 -5.144 1.00 17.33 C ATOM 1604 CD1 ILE B 3 18.031 34.102 -7.300 1.00 24.92 C ATOM 1605 HA ILE B 3 17.468 37.960 -5.974 1.00 0.00 H ATOM 1606 HB ILE B 3 18.654 35.397 -4.901 1.00 0.00 H ATOM 1607 HG12 ILE B 3 17.436 36.142 -7.592 1.00 0.00 H ATOM 1608 HG13 ILE B 3 19.171 35.919 -7.270 1.00 0.00 H ATOM 1609 HD11 ILE B 3 18.764 33.545 -6.716 1.00 0.00 H ATOM 1610 HD12 ILE B 3 17.027 33.769 -7.038 1.00 0.00 H ATOM 1611 HD13 ILE B 3 18.206 33.932 -8.362 1.00 0.00 H ATOM 1612 HG21 ILE B 3 16.347 35.729 -4.090 1.00 0.00 H ATOM 1613 HG22 ILE B 3 15.803 36.062 -5.753 1.00 0.00 H ATOM 1614 HG23 ILE B 3 16.401 34.442 -5.319 1.00 0.00 H ATOM 1615 H ILE B 3 20.245 37.411 -4.805 1.00 0.00 H ATOM 1616 N THR B 4 16.848 38.755 -3.612 1.00 18.31 N ATOM 1617 CA THR B 4 16.495 39.149 -2.251 1.00 18.67 C ATOM 1618 C THR B 4 15.439 38.160 -1.772 1.00 16.94 C ATOM 1619 O THR B 4 14.794 37.429 -2.521 1.00 17.68 O ATOM 1620 CB THR B 4 15.998 40.636 -2.274 1.00 19.64 C ATOM 1621 OG1 THR B 4 14.962 40.739 -3.238 1.00 22.00 O ATOM 1622 CG2 THR B 4 17.143 41.589 -2.512 1.00 21.32 C ATOM 1623 HA THR B 4 17.336 39.117 -1.558 1.00 0.00 H ATOM 1624 HB THR B 4 15.591 40.924 -1.305 1.00 0.00 H ATOM 1625 HG1 THR B 4 14.219 40.134 -2.988 1.00 0.00 H ATOM 1626 HG23 THR B 4 17.896 41.452 -1.736 1.00 0.00 H ATOM 1627 HG21 THR B 4 17.585 41.387 -3.488 1.00 0.00 H ATOM 1628 HG22 THR B 4 16.773 42.614 -2.484 1.00 0.00 H ATOM 1629 H THR B 4 16.325 39.163 -4.413 1.00 0.00 H ATOM 1630 N LEU B 5 15.157 38.145 -0.488 1.00 19.90 N ATOM 1631 CA LEU B 5 14.337 37.068 0.049 1.00 18.01 C ATOM 1632 C LEU B 5 13.027 37.554 0.553 1.00 18.45 C ATOM 1633 O LEU B 5 12.442 37.001 1.470 1.00 17.01 O ATOM 1634 CB LEU B 5 15.160 36.390 1.143 1.00 16.29 C ATOM 1635 CG LEU B 5 16.445 35.705 0.573 1.00 13.36 C ATOM 1636 CD1 LEU B 5 17.392 35.395 1.680 1.00 16.24 C ATOM 1637 CD2 LEU B 5 16.059 34.522 -0.212 1.00 13.08 C ATOM 1638 HA LEU B 5 14.085 36.355 -0.737 1.00 0.00 H ATOM 1639 HB2 LEU B 5 15.457 37.140 1.876 1.00 0.00 H ATOM 1640 HB3 LEU B 5 14.544 35.633 1.629 1.00 0.00 H ATOM 1641 HG LEU B 5 16.972 36.380 -0.102 1.00 0.00 H ATOM 1642 HD21 LEU B 5 15.525 33.821 0.429 1.00 0.00 H ATOM 1643 HD22 LEU B 5 15.413 34.828 -1.035 1.00 0.00 H ATOM 1644 HD23 LEU B 5 16.954 34.044 -0.610 1.00 0.00 H ATOM 1645 HD11 LEU B 5 17.672 36.319 2.186 1.00 0.00 H ATOM 1646 HD12 LEU B 5 16.911 34.722 2.390 1.00 0.00 H ATOM 1647 HD13 LEU B 5 18.283 34.918 1.271 1.00 0.00 H ATOM 1648 H LEU B 5 15.516 38.894 0.138 1.00 0.00 H ATOM 1649 N TRP B 6 12.572 38.676 -0.022 1.00 15.18 N ATOM 1650 CA TRP B 6 11.304 39.275 0.363 1.00 15.60 C ATOM 1651 C TRP B 6 10.240 38.343 -0.139 1.00 16.67 C ATOM 1652 O TRP B 6 9.180 38.264 0.484 1.00 19.47 O ATOM 1653 CB TRP B 6 11.135 40.711 -0.265 1.00 16.77 C ATOM 1654 CG TRP B 6 12.163 41.753 0.223 1.00 16.14 C ATOM 1655 CD1 TRP B 6 13.266 42.061 -0.511 1.00 15.64 C ATOM 1656 CD2 TRP B 6 12.174 42.343 1.465 1.00 17.92 C ATOM 1657 NE1 TRP B 6 13.993 42.806 0.272 1.00 16.57 N ATOM 1658 CE2 TRP B 6 13.398 42.998 1.459 1.00 17.13 C ATOM 1659 CE3 TRP B 6 11.337 42.382 2.580 1.00 17.00 C ATOM 1660 CZ2 TRP B 6 13.834 43.736 2.587 1.00 17.53 C ATOM 1661 CZ3 TRP B 6 11.773 43.115 3.695 1.00 14.69 C ATOM 1662 CH2 TRP B 6 13.014 43.783 3.711 1.00 14.01 C ATOM 1663 HA TRP B 6 11.244 39.407 1.443 1.00 0.00 H ATOM 1664 HB2 TRP B 6 11.229 40.622 -1.347 1.00 0.00 H ATOM 1665 HB3 TRP B 6 10.138 41.075 -0.017 1.00 0.00 H ATOM 1666 HE1 TRP B 6 14.918 43.202 0.010 1.00 0.00 H ATOM 1667 HD1 TRP B 6 13.492 41.752 -1.532 1.00 0.00 H ATOM 1668 HZ2 TRP B 6 14.792 44.256 2.575 1.00 0.00 H ATOM 1669 HH2 TRP B 6 13.330 44.333 4.598 1.00 0.00 H ATOM 1670 HZ3 TRP B 6 11.132 43.169 4.575 1.00 0.00 H ATOM 1671 HE3 TRP B 6 10.379 41.862 2.585 1.00 0.00 H ATOM 1672 H TRP B 6 13.141 39.131 -0.764 1.00 0.00 H ATOM 1673 N GLN B 7 10.475 37.634 -1.263 1.00 18.54 N ATOM 1674 CA GLN B 7 9.592 36.613 -1.779 1.00 18.89 C ATOM 1675 C GLN B 7 10.333 35.241 -1.808 1.00 16.61 C ATOM 1676 O GLN B 7 11.551 35.265 -1.752 1.00 12.67 O ATOM 1677 CB GLN B 7 9.230 36.901 -3.182 1.00 27.57 C ATOM 1678 CG GLN B 7 8.306 38.078 -3.369 1.00 44.95 C ATOM 1679 CD GLN B 7 8.052 38.367 -4.849 1.00 56.30 C ATOM 1680 OE1 GLN B 7 8.136 37.511 -5.758 1.00 60.69 O ATOM 1681 NE2 GLN B 7 7.712 39.651 -5.048 1.00 60.94 N ATOM 1682 HA GLN B 7 8.710 36.590 -1.138 1.00 0.00 H ATOM 1683 HB2 GLN B 7 10.148 37.099 -3.735 1.00 0.00 H ATOM 1684 HB3 GLN B 7 8.742 36.018 -3.595 1.00 0.00 H ATOM 1685 HG2 GLN B 7 7.355 37.862 -2.883 1.00 0.00 H ATOM 1686 HG3 GLN B 7 8.756 38.958 -2.909 1.00 0.00 H ATOM 1687 HE22 GLN B 7 7.663 40.307 -4.242 1.00 0.00 H ATOM 1688 HE21 GLN B 7 7.498 39.990 -6.008 1.00 0.00 H ATOM 1689 H GLN B 7 11.348 37.835 -1.792 1.00 0.00 H ATOM 1690 N ARG B 8 9.655 34.075 -1.893 1.00 17.48 N ATOM 1691 CA ARG B 8 10.248 32.766 -2.013 1.00 15.32 C ATOM 1692 C ARG B 8 11.227 32.750 -3.139 1.00 14.45 C ATOM 1693 O ARG B 8 10.846 33.287 -4.187 1.00 16.28 O ATOM 1694 CB ARG B 8 9.214 31.733 -2.318 1.00 15.47 C ATOM 1695 CG ARG B 8 8.538 31.494 -1.050 1.00 12.62 C ATOM 1696 CD ARG B 8 7.561 30.411 -1.195 1.00 13.52 C ATOM 1697 NE ARG B 8 6.781 30.444 0.029 1.00 12.72 N ATOM 1698 CZ ARG B 8 5.476 30.119 0.083 1.00 14.64 C ATOM 1699 NH1 ARG B 8 4.758 29.683 -0.964 1.00 20.99 N ATOM 1700 NH2 ARG B 8 4.803 30.152 1.207 1.00 16.41 N ATOM 1701 HA ARG B 8 10.734 32.543 -1.063 1.00 0.00 H ATOM 1702 HB2 ARG B 8 8.511 32.102 -3.064 1.00 0.00 H ATOM 1703 HB3 ARG B 8 9.681 30.818 -2.682 1.00 0.00 H ATOM 1704 HG2 ARG B 8 9.274 31.217 -0.295 1.00 0.00 H ATOM 1705 HG3 ARG B 8 8.025 32.403 -0.738 1.00 0.00 H ATOM 1706 HD2 ARG B 8 8.066 29.451 -1.303 1.00 0.00 H ATOM 1707 HD3 ARG B 8 6.923 30.584 -2.062 1.00 0.00 H ATOM 1708 HE ARG B 8 7.255 30.733 0.909 1.00 0.00 H ATOM 1709 HH12 ARG B 8 3.751 29.451 -0.844 1.00 0.00 H ATOM 1710 HH11 ARG B 8 5.208 29.577 -1.895 1.00 0.00 H ATOM 1711 HH22 ARG B 8 3.795 29.895 1.217 1.00 0.00 H ATOM 1712 HH21 ARG B 8 5.277 30.435 2.089 1.00 0.00 H ATOM 1713 H ARG B 8 8.617 34.126 -1.870 1.00 0.00 H ATOM 1714 N PRO B 9 12.447 32.211 -2.995 1.00 13.03 N ATOM 1715 CA PRO B 9 13.404 32.155 -4.064 1.00 16.16 C ATOM 1716 C PRO B 9 13.106 30.991 -5.003 1.00 17.51 C ATOM 1717 O PRO B 9 13.750 29.956 -4.951 1.00 17.73 O ATOM 1718 CB PRO B 9 14.745 32.108 -3.345 1.00 15.46 C ATOM 1719 CG PRO B 9 14.454 31.355 -2.097 1.00 10.37 C ATOM 1720 CD PRO B 9 13.106 31.900 -1.724 1.00 11.28 C ATOM 1721 HA PRO B 9 13.383 33.008 -4.743 1.00 0.00 H ATOM 1722 HD3 PRO B 9 12.534 31.156 -1.169 1.00 0.00 H ATOM 1723 HD2 PRO B 9 13.212 32.800 -1.119 1.00 0.00 H ATOM 1724 HG3 PRO B 9 15.195 31.562 -1.325 1.00 0.00 H ATOM 1725 HG2 PRO B 9 14.413 30.281 -2.280 1.00 0.00 H ATOM 1726 HB2 PRO B 9 15.490 31.589 -3.947 1.00 0.00 H ATOM 1727 HB3 PRO B 9 15.099 33.113 -3.118 1.00 0.00 H ATOM 1728 N LEU B 10 12.075 31.157 -5.833 1.00 19.82 N ATOM 1729 CA LEU B 10 11.638 30.166 -6.814 1.00 22.21 C ATOM 1730 C LEU B 10 12.277 30.455 -8.167 1.00 24.42 C ATOM 1731 O LEU B 10 12.324 31.633 -8.549 1.00 26.34 O ATOM 1732 CB LEU B 10 10.133 30.234 -6.917 1.00 23.22 C ATOM 1733 CG LEU B 10 9.392 29.922 -5.665 1.00 27.03 C ATOM 1734 CD1 LEU B 10 8.000 30.451 -5.779 1.00 32.50 C ATOM 1735 CD2 LEU B 10 9.396 28.420 -5.447 1.00 32.56 C ATOM 1736 HA LEU B 10 11.943 29.167 -6.502 1.00 0.00 H ATOM 1737 HB2 LEU B 10 9.862 31.244 -7.225 1.00 0.00 H ATOM 1738 HB3 LEU B 10 9.816 29.525 -7.681 1.00 0.00 H ATOM 1739 HG LEU B 10 9.870 30.394 -4.807 1.00 0.00 H ATOM 1740 HD21 LEU B 10 8.912 27.930 -6.292 1.00 0.00 H ATOM 1741 HD22 LEU B 10 10.425 28.069 -5.362 1.00 0.00 H ATOM 1742 HD23 LEU B 10 8.854 28.186 -4.531 1.00 0.00 H ATOM 1743 HD11 LEU B 10 8.034 31.530 -5.927 1.00 0.00 H ATOM 1744 HD12 LEU B 10 7.503 29.982 -6.628 1.00 0.00 H ATOM 1745 HD13 LEU B 10 7.451 30.226 -4.865 1.00 0.00 H ATOM 1746 H LEU B 10 11.547 32.051 -5.778 1.00 0.00 H ATOM 1747 N VAL B 11 12.872 29.475 -8.862 1.00 19.01 N ATOM 1748 CA VAL B 11 13.510 29.686 -10.141 1.00 17.90 C ATOM 1749 C VAL B 11 13.007 28.566 -11.052 1.00 20.26 C ATOM 1750 O VAL B 11 12.373 27.619 -10.568 1.00 21.64 O ATOM 1751 CB VAL B 11 15.063 29.581 -10.064 1.00 19.25 C ATOM 1752 CG1 VAL B 11 15.613 30.620 -9.128 1.00 22.32 C ATOM 1753 CG2 VAL B 11 15.508 28.217 -9.529 1.00 18.15 C ATOM 1754 HA VAL B 11 13.271 30.687 -10.500 1.00 0.00 H ATOM 1755 HB VAL B 11 15.436 29.726 -11.078 1.00 0.00 H ATOM 1756 HG11 VAL B 11 15.341 31.612 -9.488 1.00 0.00 H ATOM 1757 HG12 VAL B 11 15.197 30.467 -8.132 1.00 0.00 H ATOM 1758 HG13 VAL B 11 16.699 30.532 -9.087 1.00 0.00 H ATOM 1759 HG21 VAL B 11 15.102 28.071 -8.528 1.00 0.00 H ATOM 1760 HG22 VAL B 11 15.141 27.432 -10.190 1.00 0.00 H ATOM 1761 HG23 VAL B 11 16.597 28.181 -9.490 1.00 0.00 H ATOM 1762 H VAL B 11 12.874 28.516 -8.461 1.00 0.00 H ATOM 1763 N THR B 12 13.213 28.671 -12.367 1.00 19.65 N ATOM 1764 CA THR B 12 12.901 27.625 -13.343 1.00 17.41 C ATOM 1765 C THR B 12 14.146 26.762 -13.453 1.00 14.88 C ATOM 1766 O THR B 12 15.289 27.242 -13.419 1.00 18.40 O ATOM 1767 CB THR B 12 12.564 28.254 -14.695 1.00 17.57 C ATOM 1768 OG1 THR B 12 11.481 29.066 -14.319 1.00 23.72 O ATOM 1769 CG2 THR B 12 12.109 27.339 -15.829 1.00 21.94 C ATOM 1770 HA THR B 12 12.039 27.033 -13.035 1.00 0.00 H ATOM 1771 HB THR B 12 13.456 28.709 -15.125 1.00 0.00 H ATOM 1772 HG1 THR B 12 10.760 28.500 -13.946 1.00 0.00 H ATOM 1773 HG23 THR B 12 12.938 26.701 -16.134 1.00 0.00 H ATOM 1774 HG21 THR B 12 11.280 26.720 -15.485 1.00 0.00 H ATOM 1775 HG22 THR B 12 11.785 27.945 -16.675 1.00 0.00 H ATOM 1776 H THR B 12 13.624 29.558 -12.723 1.00 0.00 H ATOM 1777 N ILE B 13 13.913 25.458 -13.524 1.00 16.92 N ATOM 1778 CA ILE B 13 14.975 24.517 -13.713 1.00 15.48 C ATOM 1779 C ILE B 13 14.509 23.695 -14.888 1.00 14.36 C ATOM 1780 O ILE B 13 13.321 23.614 -15.231 1.00 15.29 O ATOM 1781 CB ILE B 13 15.186 23.590 -12.449 1.00 12.03 C ATOM 1782 CG1 ILE B 13 13.952 22.828 -12.147 1.00 13.53 C ATOM 1783 CG2 ILE B 13 15.541 24.468 -11.225 1.00 15.27 C ATOM 1784 CD1 ILE B 13 14.166 21.605 -11.255 1.00 22.32 C ATOM 1785 HA ILE B 13 15.933 25.012 -13.872 1.00 0.00 H ATOM 1786 HB ILE B 13 15.993 22.890 -12.663 1.00 0.00 H ATOM 1787 HG12 ILE B 13 13.252 23.497 -11.646 1.00 0.00 H ATOM 1788 HG13 ILE B 13 13.520 22.491 -13.089 1.00 0.00 H ATOM 1789 HD11 ILE B 13 14.854 20.916 -11.745 1.00 0.00 H ATOM 1790 HD12 ILE B 13 14.586 21.922 -10.300 1.00 0.00 H ATOM 1791 HD13 ILE B 13 13.211 21.108 -11.086 1.00 0.00 H ATOM 1792 HG21 ILE B 13 16.458 25.021 -11.430 1.00 0.00 H ATOM 1793 HG22 ILE B 13 14.728 25.168 -11.033 1.00 0.00 H ATOM 1794 HG23 ILE B 13 15.687 23.831 -10.353 1.00 0.00 H ATOM 1795 H ILE B 13 12.936 25.111 -13.440 1.00 0.00 H ATOM 1796 N LYS B 14 15.452 23.068 -15.544 1.00 17.37 N ATOM 1797 CA LYS B 14 15.135 22.257 -16.701 1.00 22.94 C ATOM 1798 C LYS B 14 15.803 20.933 -16.368 1.00 21.45 C ATOM 1799 O LYS B 14 16.993 20.860 -16.072 1.00 22.48 O ATOM 1800 CB LYS B 14 15.746 22.884 -17.970 1.00 20.44 C ATOM 1801 CG LYS B 14 15.093 22.355 -19.207 1.00 28.34 C ATOM 1802 CD LYS B 14 15.644 23.021 -20.431 1.00 32.58 C ATOM 1803 CE LYS B 14 14.865 22.571 -21.660 1.00 36.06 C ATOM 1804 NZ LYS B 14 15.591 23.099 -22.803 1.00 38.74 N ATOM 1805 HA LYS B 14 14.067 22.160 -16.898 1.00 0.00 H ATOM 1806 HB2 LYS B 14 15.612 23.965 -17.932 1.00 0.00 H ATOM 1807 HB3 LYS B 14 16.811 22.652 -18.003 1.00 0.00 H ATOM 1808 HG2 LYS B 14 15.271 21.282 -19.274 1.00 0.00 H ATOM 1809 HG3 LYS B 14 14.020 22.541 -19.152 1.00 0.00 H ATOM 1810 HD2 LYS B 14 15.558 24.102 -20.324 1.00 0.00 H ATOM 1811 HD3 LYS B 14 16.693 22.751 -20.549 1.00 0.00 H ATOM 1812 HE2 LYS B 14 13.852 22.972 -21.635 1.00 0.00 H ATOM 1813 HE3 LYS B 14 14.823 21.483 -21.706 1.00 0.00 H ATOM 1814 HZ1 LYS B 14 15.630 24.136 -22.739 1.00 0.00 H ATOM 1815 HZ2 LYS B 14 16.557 22.715 -22.806 1.00 0.00 H ATOM 1816 HZ3 LYS B 14 15.104 22.823 -23.679 1.00 0.00 H ATOM 1817 H LYS B 14 16.440 23.153 -15.231 1.00 0.00 H ATOM 1818 N ILE B 15 14.999 19.906 -16.321 1.00 24.35 N ATOM 1819 CA ILE B 15 15.501 18.572 -16.057 1.00 27.96 C ATOM 1820 C ILE B 15 14.713 17.630 -16.955 1.00 30.65 C ATOM 1821 O ILE B 15 13.490 17.697 -17.024 1.00 28.59 O ATOM 1822 CB ILE B 15 15.352 18.181 -14.504 1.00 27.09 C ATOM 1823 CG1 ILE B 15 15.917 16.741 -14.356 1.00 26.86 C ATOM 1824 CG2 ILE B 15 13.934 18.331 -13.965 1.00 26.32 C ATOM 1825 CD1 ILE B 15 16.295 16.377 -12.909 1.00 18.51 C ATOM 1826 HA ILE B 15 16.568 18.507 -16.272 1.00 0.00 H ATOM 1827 HB ILE B 15 15.918 18.879 -13.887 1.00 0.00 H ATOM 1828 HG12 ILE B 15 15.162 16.036 -14.704 1.00 0.00 H ATOM 1829 HG13 ILE B 15 16.808 16.654 -14.978 1.00 0.00 H ATOM 1830 HD11 ILE B 15 17.059 17.067 -12.550 1.00 0.00 H ATOM 1831 HD12 ILE B 15 15.411 16.449 -12.275 1.00 0.00 H ATOM 1832 HD13 ILE B 15 16.682 15.358 -12.881 1.00 0.00 H ATOM 1833 HG21 ILE B 15 13.614 19.368 -14.070 1.00 0.00 H ATOM 1834 HG22 ILE B 15 13.262 17.683 -14.528 1.00 0.00 H ATOM 1835 HG23 ILE B 15 13.915 18.049 -12.912 1.00 0.00 H ATOM 1836 H ILE B 15 13.980 20.047 -16.476 1.00 0.00 H ATOM 1837 N GLY B 16 15.380 16.816 -17.763 1.00 34.41 N ATOM 1838 CA GLY B 16 14.663 15.843 -18.601 1.00 33.22 C ATOM 1839 C GLY B 16 13.881 16.547 -19.716 1.00 33.26 C ATOM 1840 O GLY B 16 12.856 16.050 -20.180 1.00 31.59 O ATOM 1841 HA3 GLY B 16 13.967 15.280 -17.978 1.00 0.00 H ATOM 1842 HA2 GLY B 16 15.384 15.158 -19.048 1.00 0.00 H ATOM 1843 H GLY B 16 16.418 16.866 -17.804 1.00 0.00 H ATOM 1844 N GLY B 17 14.389 17.727 -20.137 1.00 31.33 N ATOM 1845 CA GLY B 17 13.681 18.543 -21.112 1.00 31.24 C ATOM 1846 C GLY B 17 12.361 19.102 -20.556 1.00 30.62 C ATOM 1847 O GLY B 17 11.492 19.541 -21.320 1.00 36.32 O ATOM 1848 HA3 GLY B 17 13.462 17.932 -21.988 1.00 0.00 H ATOM 1849 HA2 GLY B 17 14.320 19.377 -21.402 1.00 0.00 H ATOM 1850 H GLY B 17 15.300 18.057 -19.758 1.00 0.00 H ATOM 1851 N GLN B 18 12.098 19.081 -19.246 1.00 28.95 N ATOM 1852 CA GLN B 18 10.877 19.678 -18.723 1.00 29.37 C ATOM 1853 C GLN B 18 11.305 20.852 -17.925 1.00 25.32 C ATOM 1854 O GLN B 18 12.366 20.853 -17.295 1.00 23.45 O ATOM 1855 CB GLN B 18 10.136 18.798 -17.760 1.00 37.25 C ATOM 1856 CG GLN B 18 10.047 17.363 -18.227 1.00 51.20 C ATOM 1857 CD GLN B 18 9.490 16.374 -17.195 1.00 59.01 C ATOM 1858 OE1 GLN B 18 10.039 15.291 -16.893 1.00 64.34 O ATOM 1859 NE2 GLN B 18 8.315 16.718 -16.658 1.00 60.86 N ATOM 1860 HA GLN B 18 10.224 19.889 -19.570 1.00 0.00 H ATOM 1861 HB2 GLN B 18 10.651 18.821 -16.800 1.00 0.00 H ATOM 1862 HB3 GLN B 18 9.126 19.188 -17.638 1.00 0.00 H ATOM 1863 HG2 GLN B 18 9.402 17.333 -19.105 1.00 0.00 H ATOM 1864 HG3 GLN B 18 11.049 17.035 -18.502 1.00 0.00 H ATOM 1865 HE22 GLN B 18 7.869 17.621 -16.917 1.00 0.00 H ATOM 1866 HE21 GLN B 18 7.847 16.083 -15.981 1.00 0.00 H ATOM 1867 H GLN B 18 12.772 18.634 -18.593 1.00 0.00 H ATOM 1868 N LEU B 19 10.431 21.830 -17.956 1.00 24.96 N ATOM 1869 CA LEU B 19 10.690 22.977 -17.124 1.00 26.92 C ATOM 1870 C LEU B 19 9.937 22.784 -15.823 1.00 25.36 C ATOM 1871 O LEU B 19 8.779 22.344 -15.877 1.00 25.51 O ATOM 1872 CB LEU B 19 10.204 24.316 -17.719 1.00 24.52 C ATOM 1873 CG LEU B 19 10.919 24.773 -18.995 1.00 23.96 C ATOM 1874 CD1 LEU B 19 10.315 26.080 -19.463 1.00 26.01 C ATOM 1875 CD2 LEU B 19 12.392 24.914 -18.757 1.00 21.04 C ATOM 1876 HA LEU B 19 11.772 23.038 -17.010 1.00 0.00 H ATOM 1877 HB2 LEU B 19 9.143 24.216 -17.947 1.00 0.00 H ATOM 1878 HB3 LEU B 19 10.341 25.089 -16.963 1.00 0.00 H ATOM 1879 HG LEU B 19 10.785 24.021 -19.773 1.00 0.00 H ATOM 1880 HD21 LEU B 19 12.563 25.652 -17.974 1.00 0.00 H ATOM 1881 HD22 LEU B 19 12.802 23.953 -18.448 1.00 0.00 H ATOM 1882 HD23 LEU B 19 12.878 25.239 -19.677 1.00 0.00 H ATOM 1883 HD11 LEU B 19 9.254 25.936 -19.669 1.00 0.00 H ATOM 1884 HD12 LEU B 19 10.436 26.834 -18.685 1.00 0.00 H ATOM 1885 HD13 LEU B 19 10.821 26.408 -20.371 1.00 0.00 H ATOM 1886 H LEU B 19 9.584 21.779 -18.558 1.00 0.00 H ATOM 1887 N LYS B 20 10.542 23.069 -14.681 1.00 22.82 N ATOM 1888 CA LYS B 20 9.861 22.971 -13.428 1.00 22.48 C ATOM 1889 C LYS B 20 10.284 24.190 -12.617 1.00 19.32 C ATOM 1890 O LYS B 20 11.297 24.841 -12.866 1.00 21.91 O ATOM 1891 CB LYS B 20 10.252 21.654 -12.715 1.00 25.44 C ATOM 1892 CG LYS B 20 9.826 20.348 -13.410 1.00 31.71 C ATOM 1893 CD LYS B 20 10.236 19.109 -12.567 1.00 36.65 C ATOM 1894 CE LYS B 20 9.200 17.959 -12.425 1.00 42.92 C ATOM 1895 NZ LYS B 20 9.609 16.943 -11.442 1.00 48.55 N ATOM 1896 HA LYS B 20 8.778 22.952 -13.553 1.00 0.00 H ATOM 1897 HB2 LYS B 20 11.337 21.639 -12.617 1.00 0.00 H ATOM 1898 HB3 LYS B 20 9.799 21.666 -11.724 1.00 0.00 H ATOM 1899 HG2 LYS B 20 8.744 20.349 -13.539 1.00 0.00 H ATOM 1900 HG3 LYS B 20 10.307 20.290 -14.386 1.00 0.00 H ATOM 1901 HD2 LYS B 20 11.132 18.687 -13.022 1.00 0.00 H ATOM 1902 HD3 LYS B 20 10.472 19.461 -11.563 1.00 0.00 H ATOM 1903 HE2 LYS B 20 9.079 17.477 -13.395 1.00 0.00 H ATOM 1904 HE3 LYS B 20 8.247 18.385 -12.111 1.00 0.00 H ATOM 1905 HZ1 LYS B 20 10.514 16.523 -11.736 1.00 0.00 H ATOM 1906 HZ2 LYS B 20 9.719 17.390 -10.509 1.00 0.00 H ATOM 1907 HZ3 LYS B 20 8.882 16.201 -11.389 1.00 0.00 H ATOM 1908 H LYS B 20 11.537 23.372 -14.696 1.00 0.00 H ATOM 1909 N GLU B 21 9.524 24.614 -11.629 1.00 18.46 N ATOM 1910 CA GLU B 21 9.915 25.695 -10.693 1.00 21.34 C ATOM 1911 C GLU B 21 10.600 25.025 -9.519 1.00 18.50 C ATOM 1912 O GLU B 21 10.117 23.944 -9.158 1.00 18.79 O ATOM 1913 CB GLU B 21 8.720 26.435 -10.089 1.00 30.62 C ATOM 1914 CG GLU B 21 7.827 27.290 -10.975 1.00 49.38 C ATOM 1915 CD GLU B 21 8.435 28.670 -11.340 1.00 58.93 C ATOM 1916 OE1 GLU B 21 9.439 28.719 -12.088 1.00 65.30 O ATOM 1917 OE2 GLU B 21 7.892 29.699 -10.884 1.00 63.35 O ATOM 1918 HA GLU B 21 10.527 26.405 -11.249 1.00 0.00 H ATOM 1919 HB2 GLU B 21 8.080 25.680 -9.632 1.00 0.00 H ATOM 1920 HB3 GLU B 21 9.115 27.091 -9.314 1.00 0.00 H ATOM 1921 HG2 GLU B 21 7.637 26.744 -11.899 1.00 0.00 H ATOM 1922 HG3 GLU B 21 6.885 27.458 -10.453 1.00 0.00 H ATOM 1923 H GLU B 21 8.595 24.164 -11.498 1.00 0.00 H ATOM 1924 N ALA B 22 11.576 25.565 -8.855 1.00 13.69 N ATOM 1925 CA ALA B 22 12.174 24.901 -7.749 1.00 14.36 C ATOM 1926 C ALA B 22 12.520 25.962 -6.768 1.00 15.23 C ATOM 1927 O ALA B 22 12.725 27.089 -7.162 1.00 17.55 O ATOM 1928 CB ALA B 22 13.412 24.279 -8.162 1.00 13.33 C ATOM 1929 HA ALA B 22 11.501 24.146 -7.343 1.00 0.00 H ATOM 1930 HB1 ALA B 22 13.208 23.555 -8.951 1.00 0.00 H ATOM 1931 HB2 ALA B 22 14.094 25.043 -8.536 1.00 0.00 H ATOM 1932 HB3 ALA B 22 13.865 23.772 -7.310 1.00 0.00 H ATOM 1933 H ALA B 22 11.928 26.502 -9.138 1.00 0.00 H ATOM 1934 N LEU B 23 12.577 25.709 -5.505 1.00 14.18 N ATOM 1935 CA LEU B 23 12.984 26.641 -4.480 1.00 13.13 C ATOM 1936 C LEU B 23 14.486 26.642 -4.269 1.00 16.16 C ATOM 1937 O LEU B 23 15.006 25.536 -4.044 1.00 16.63 O ATOM 1938 CB LEU B 23 12.231 26.205 -3.231 1.00 16.67 C ATOM 1939 CG LEU B 23 12.159 26.961 -1.935 1.00 18.50 C ATOM 1940 CD1 LEU B 23 11.462 28.302 -2.298 1.00 14.63 C ATOM 1941 CD2 LEU B 23 11.391 26.194 -0.853 1.00 14.79 C ATOM 1942 HA LEU B 23 12.748 27.669 -4.756 1.00 0.00 H ATOM 1943 HB2 LEU B 23 11.196 26.083 -3.549 1.00 0.00 H ATOM 1944 HB3 LEU B 23 12.647 25.231 -2.972 1.00 0.00 H ATOM 1945 HG LEU B 23 13.149 27.116 -1.506 1.00 0.00 H ATOM 1946 HD21 LEU B 23 10.372 26.011 -1.193 1.00 0.00 H ATOM 1947 HD22 LEU B 23 11.888 25.243 -0.661 1.00 0.00 H ATOM 1948 HD23 LEU B 23 11.369 26.785 0.063 1.00 0.00 H ATOM 1949 HD11 LEU B 23 12.058 28.830 -3.042 1.00 0.00 H ATOM 1950 HD12 LEU B 23 10.471 28.097 -2.703 1.00 0.00 H ATOM 1951 HD13 LEU B 23 11.370 28.916 -1.402 1.00 0.00 H ATOM 1952 H LEU B 23 12.307 24.753 -5.199 1.00 0.00 H ATOM 1953 N LEU B 24 15.261 27.746 -4.258 1.00 13.38 N ATOM 1954 CA LEU B 24 16.673 27.723 -3.901 1.00 15.71 C ATOM 1955 C LEU B 24 16.781 27.659 -2.380 1.00 14.52 C ATOM 1956 O LEU B 24 16.292 28.519 -1.651 1.00 13.10 O ATOM 1957 CB LEU B 24 17.358 28.957 -4.409 1.00 18.36 C ATOM 1958 CG LEU B 24 17.399 29.182 -5.922 1.00 20.09 C ATOM 1959 CD1 LEU B 24 18.481 30.234 -6.172 1.00 19.58 C ATOM 1960 CD2 LEU B 24 17.726 27.904 -6.688 1.00 19.20 C ATOM 1961 HA LEU B 24 17.155 26.855 -4.351 1.00 0.00 H ATOM 1962 HB2 LEU B 24 16.852 29.815 -3.967 1.00 0.00 H ATOM 1963 HB3 LEU B 24 18.389 28.924 -4.057 1.00 0.00 H ATOM 1964 HG LEU B 24 16.420 29.507 -6.275 1.00 0.00 H ATOM 1965 HD21 LEU B 24 18.702 27.534 -6.374 1.00 0.00 H ATOM 1966 HD22 LEU B 24 16.966 27.152 -6.478 1.00 0.00 H ATOM 1967 HD23 LEU B 24 17.743 28.117 -7.757 1.00 0.00 H ATOM 1968 HD11 LEU B 24 18.221 31.153 -5.647 1.00 0.00 H ATOM 1969 HD12 LEU B 24 19.438 29.863 -5.806 1.00 0.00 H ATOM 1970 HD13 LEU B 24 18.552 30.433 -7.241 1.00 0.00 H ATOM 1971 H LEU B 24 14.830 28.657 -4.517 1.00 0.00 H ATOM 1972 N ASP B 25 17.371 26.552 -1.888 1.00 12.60 N ATOM 1973 CA ASP B 25 17.304 26.329 -0.480 1.00 14.39 C ATOM 1974 C ASP B 25 18.588 26.024 0.194 1.00 16.27 C ATOM 1975 O ASP B 25 19.105 24.924 0.116 1.00 14.19 O ATOM 1976 CB ASP B 25 16.268 25.225 -0.273 1.00 16.09 C ATOM 1977 CG ASP B 25 15.868 24.996 1.165 1.00 19.31 C ATOM 1978 OD1 ASP B 25 16.196 25.780 2.052 1.00 17.68 O ATOM 1979 OD2 ASP B 25 15.183 24.014 1.349 1.00 20.78 O ATOM 1980 HA ASP B 25 17.019 27.265 0.000 1.00 0.00 H ATOM 1981 HB2 ASP B 25 15.373 25.489 -0.837 1.00 0.00 H ATOM 1982 HB3 ASP B 25 16.680 24.295 -0.663 1.00 0.00 H ATOM 1983 H ASP B 25 17.860 25.881 -2.515 1.00 0.00 H ATOM 1984 N THR B 26 19.030 27.001 0.949 1.00 13.32 N ATOM 1985 CA THR B 26 20.271 26.828 1.675 1.00 14.34 C ATOM 1986 C THR B 26 20.064 25.939 2.911 1.00 11.83 C ATOM 1987 O THR B 26 21.011 25.390 3.427 1.00 13.24 O ATOM 1988 CB THR B 26 20.844 28.223 2.058 1.00 9.38 C ATOM 1989 OG1 THR B 26 19.849 28.856 2.851 1.00 12.38 O ATOM 1990 CG2 THR B 26 21.212 29.078 0.819 1.00 9.31 C ATOM 1991 HA THR B 26 20.995 26.320 1.037 1.00 0.00 H ATOM 1992 HB THR B 26 21.779 28.110 2.607 1.00 0.00 H ATOM 1993 HG1 THR B 26 19.674 28.309 3.657 1.00 0.00 H ATOM 1994 HG23 THR B 26 21.975 28.562 0.237 1.00 0.00 H ATOM 1995 HG21 THR B 26 20.324 29.227 0.205 1.00 0.00 H ATOM 1996 HG22 THR B 26 21.595 30.045 1.147 1.00 0.00 H ATOM 1997 H THR B 26 18.495 27.890 1.025 1.00 0.00 H ATOM 1998 N GLY B 27 18.872 25.724 3.380 1.00 10.72 N ATOM 1999 CA GLY B 27 18.608 24.869 4.477 1.00 11.26 C ATOM 2000 C GLY B 27 18.372 23.418 3.996 1.00 15.20 C ATOM 2001 O GLY B 27 18.106 22.583 4.849 1.00 17.20 O ATOM 2002 HA3 GLY B 27 17.719 25.222 5.000 1.00 0.00 H ATOM 2003 HA2 GLY B 27 19.459 24.887 5.157 1.00 0.00 H ATOM 2004 H GLY B 27 18.070 26.205 2.926 1.00 0.00 H ATOM 2005 N ALA B 28 18.469 23.027 2.732 1.00 12.82 N ATOM 2006 CA ALA B 28 18.397 21.646 2.359 1.00 12.95 C ATOM 2007 C ALA B 28 19.798 21.139 2.007 1.00 13.21 C ATOM 2008 O ALA B 28 20.533 21.667 1.146 1.00 12.27 O ATOM 2009 CB ALA B 28 17.490 21.572 1.204 1.00 8.55 C ATOM 2010 HA ALA B 28 18.023 21.021 3.169 1.00 0.00 H ATOM 2011 HB1 ALA B 28 16.509 21.951 1.490 1.00 0.00 H ATOM 2012 HB2 ALA B 28 17.891 22.176 0.390 1.00 0.00 H ATOM 2013 HB3 ALA B 28 17.401 20.535 0.880 1.00 0.00 H ATOM 2014 H ALA B 28 18.601 23.744 1.990 1.00 0.00 H ATOM 2015 N ASP B 29 20.298 20.091 2.661 1.00 12.54 N ATOM 2016 CA ASP B 29 21.637 19.570 2.306 1.00 14.40 C ATOM 2017 C ASP B 29 21.627 18.983 0.912 1.00 12.88 C ATOM 2018 O ASP B 29 22.601 19.138 0.186 1.00 16.32 O ATOM 2019 CB ASP B 29 22.091 18.468 3.258 1.00 17.69 C ATOM 2020 CG ASP B 29 21.952 18.856 4.737 1.00 22.57 C ATOM 2021 OD1 ASP B 29 22.532 19.837 5.175 1.00 19.54 O ATOM 2022 OD2 ASP B 29 21.235 18.175 5.503 1.00 26.94 O ATOM 2023 HA ASP B 29 22.321 20.416 2.370 1.00 0.00 H ATOM 2024 HB2 ASP B 29 21.487 17.579 3.074 1.00 0.00 H ATOM 2025 HB3 ASP B 29 23.138 18.243 3.055 1.00 0.00 H ATOM 2026 H ASP B 29 19.748 19.640 3.420 1.00 0.00 H ATOM 2027 N ASP B 30 20.523 18.389 0.459 1.00 10.37 N ATOM 2028 CA ASP B 30 20.489 17.773 -0.846 1.00 11.39 C ATOM 2029 C ASP B 30 19.376 18.295 -1.720 1.00 9.67 C ATOM 2030 O ASP B 30 18.526 18.996 -1.236 1.00 13.69 O ATOM 2031 CB ASP B 30 20.300 16.275 -0.731 1.00 18.34 C ATOM 2032 CG ASP B 30 21.417 15.663 0.086 1.00 23.91 C ATOM 2033 OD1 ASP B 30 22.592 15.822 -0.269 1.00 26.94 O ATOM 2034 OD2 ASP B 30 21.079 15.072 1.106 1.00 23.65 O ATOM 2035 HA ASP B 30 21.447 18.020 -1.303 1.00 0.00 H ATOM 2036 HB2 ASP B 30 19.346 16.069 -0.246 1.00 0.00 H ATOM 2037 HB3 ASP B 30 20.302 15.835 -1.728 1.00 0.00 H ATOM 2038 H ASP B 30 19.672 18.369 1.056 1.00 0.00 H ATOM 2039 N THR B 31 19.323 17.932 -2.985 1.00 11.85 N ATOM 2040 CA THR B 31 18.348 18.404 -3.915 1.00 12.36 C ATOM 2041 C THR B 31 17.243 17.387 -3.971 1.00 15.57 C ATOM 2042 O THR B 31 17.586 16.229 -4.190 1.00 12.11 O ATOM 2043 CB THR B 31 19.043 18.552 -5.229 1.00 11.27 C ATOM 2044 OG1 THR B 31 19.815 19.742 -5.113 1.00 14.11 O ATOM 2045 CG2 THR B 31 18.103 18.728 -6.382 1.00 13.22 C ATOM 2046 HA THR B 31 17.912 19.363 -3.635 1.00 0.00 H ATOM 2047 HB THR B 31 19.623 17.651 -5.431 1.00 0.00 H ATOM 2048 HG1 THR B 31 20.461 19.644 -4.369 1.00 0.00 H ATOM 2049 HG23 THR B 31 17.497 17.829 -6.495 1.00 0.00 H ATOM 2050 HG21 THR B 31 17.455 19.584 -6.193 1.00 0.00 H ATOM 2051 HG22 THR B 31 18.676 18.899 -7.293 1.00 0.00 H ATOM 2052 H THR B 31 20.037 17.258 -3.328 1.00 0.00 H ATOM 2053 N VAL B 32 15.967 17.811 -3.819 1.00 13.78 N ATOM 2054 CA VAL B 32 14.875 16.865 -3.780 1.00 15.88 C ATOM 2055 C VAL B 32 13.840 17.210 -4.780 1.00 16.69 C ATOM 2056 O VAL B 32 13.295 18.302 -4.687 1.00 17.22 O ATOM 2057 CB VAL B 32 14.153 16.802 -2.442 1.00 19.18 C ATOM 2058 CG1 VAL B 32 13.523 15.392 -2.360 1.00 21.88 C ATOM 2059 CG2 VAL B 32 15.051 17.029 -1.276 1.00 23.64 C ATOM 2060 HA VAL B 32 15.350 15.905 -3.980 1.00 0.00 H ATOM 2061 HB VAL B 32 13.410 17.598 -2.394 1.00 0.00 H ATOM 2062 HG11 VAL B 32 12.828 15.257 -3.189 1.00 0.00 H ATOM 2063 HG12 VAL B 32 14.310 14.640 -2.418 1.00 0.00 H ATOM 2064 HG13 VAL B 32 12.989 15.289 -1.416 1.00 0.00 H ATOM 2065 HG21 VAL B 32 15.830 16.267 -1.265 1.00 0.00 H ATOM 2066 HG22 VAL B 32 15.507 18.016 -1.357 1.00 0.00 H ATOM 2067 HG23 VAL B 32 14.471 16.970 -0.355 1.00 0.00 H ATOM 2068 H VAL B 32 15.770 18.828 -3.729 1.00 0.00 H ATOM 2069 N LEU B 33 13.443 16.355 -5.674 1.00 15.70 N ATOM 2070 CA LEU B 33 12.440 16.685 -6.659 1.00 17.68 C ATOM 2071 C LEU B 33 11.212 15.834 -6.410 1.00 19.37 C ATOM 2072 O LEU B 33 11.300 14.729 -5.863 1.00 16.07 O ATOM 2073 CB LEU B 33 13.004 16.393 -8.024 1.00 19.86 C ATOM 2074 CG LEU B 33 14.311 17.049 -8.413 1.00 26.13 C ATOM 2075 CD1 LEU B 33 14.676 16.641 -9.797 1.00 28.69 C ATOM 2076 CD2 LEU B 33 14.146 18.558 -8.487 1.00 29.49 C ATOM 2077 HA LEU B 33 12.164 17.737 -6.595 1.00 0.00 H ATOM 2078 HB2 LEU B 33 13.151 15.315 -8.089 1.00 0.00 H ATOM 2079 HB3 LEU B 33 12.257 16.701 -8.755 1.00 0.00 H ATOM 2080 HG LEU B 33 15.056 16.757 -7.673 1.00 0.00 H ATOM 2081 HD21 LEU B 33 13.390 18.803 -9.232 1.00 0.00 H ATOM 2082 HD22 LEU B 33 13.835 18.936 -7.513 1.00 0.00 H ATOM 2083 HD23 LEU B 33 15.096 19.013 -8.768 1.00 0.00 H ATOM 2084 HD11 LEU B 33 14.785 15.557 -9.838 1.00 0.00 H ATOM 2085 HD12 LEU B 33 13.891 16.955 -10.486 1.00 0.00 H ATOM 2086 HD13 LEU B 33 15.617 17.113 -10.077 1.00 0.00 H ATOM 2087 H LEU B 33 13.861 15.403 -5.680 1.00 0.00 H ATOM 2088 N GLU B 34 10.073 16.397 -6.790 1.00 18.62 N ATOM 2089 CA GLU B 34 8.818 15.682 -6.845 1.00 17.48 C ATOM 2090 C GLU B 34 8.987 14.455 -7.680 1.00 20.08 C ATOM 2091 O GLU B 34 9.864 14.358 -8.522 1.00 21.53 O ATOM 2092 CB GLU B 34 7.723 16.436 -7.534 1.00 18.53 C ATOM 2093 CG GLU B 34 7.548 17.730 -6.825 1.00 30.55 C ATOM 2094 CD GLU B 34 6.519 18.592 -7.510 1.00 34.75 C ATOM 2095 OE1 GLU B 34 5.424 18.100 -7.707 1.00 43.38 O ATOM 2096 OE2 GLU B 34 6.778 19.730 -7.873 1.00 38.19 O ATOM 2097 HA GLU B 34 8.553 15.495 -5.805 1.00 0.00 H ATOM 2098 HB2 GLU B 34 7.994 16.616 -8.574 1.00 0.00 H ATOM 2099 HB3 GLU B 34 6.796 15.863 -7.495 1.00 0.00 H ATOM 2100 HG2 GLU B 34 7.225 17.535 -5.803 1.00 0.00 H ATOM 2101 HG3 GLU B 34 8.501 18.259 -6.809 1.00 0.00 H ATOM 2102 H GLU B 34 10.083 17.401 -7.061 1.00 0.00 H ATOM 2103 N GLU B 35 8.099 13.521 -7.473 1.00 21.03 N ATOM 2104 CA GLU B 35 8.112 12.265 -8.157 1.00 23.20 C ATOM 2105 C GLU B 35 8.304 12.423 -9.638 1.00 24.06 C ATOM 2106 O GLU B 35 7.502 13.129 -10.236 1.00 28.20 O ATOM 2107 CB GLU B 35 6.788 11.544 -7.801 1.00 28.59 C ATOM 2108 CG GLU B 35 6.560 10.135 -8.360 1.00 36.79 C ATOM 2109 CD GLU B 35 7.722 9.213 -8.030 1.00 39.91 C ATOM 2110 OE1 GLU B 35 8.146 9.237 -6.864 1.00 37.72 O ATOM 2111 OE2 GLU B 35 8.203 8.531 -8.948 1.00 42.47 O ATOM 2112 HA GLU B 35 8.964 11.666 -7.835 1.00 0.00 H ATOM 2113 HB2 GLU B 35 6.740 11.473 -6.714 1.00 0.00 H ATOM 2114 HB3 GLU B 35 5.971 12.171 -8.159 1.00 0.00 H ATOM 2115 HG2 GLU B 35 5.647 9.725 -7.927 1.00 0.00 H ATOM 2116 HG3 GLU B 35 6.452 10.196 -9.443 1.00 0.00 H ATOM 2117 H GLU B 35 7.346 13.699 -6.778 1.00 0.00 H ATOM 2118 N MET B 36 9.376 11.900 -10.229 1.00 25.32 N ATOM 2119 CA MET B 36 9.524 11.874 -11.679 1.00 30.02 C ATOM 2120 C MET B 36 10.315 10.644 -12.162 1.00 33.99 C ATOM 2121 O MET B 36 10.859 9.869 -11.354 1.00 34.45 O ATOM 2122 CB MET B 36 10.220 13.145 -12.197 1.00 27.39 C ATOM 2123 CG MET B 36 11.664 13.250 -11.874 1.00 26.93 C ATOM 2124 SD MET B 36 12.074 14.917 -12.313 1.00 27.98 S ATOM 2125 CE MET B 36 12.363 14.586 -14.037 1.00 29.05 C ATOM 2126 HA MET B 36 8.513 11.821 -12.082 1.00 0.00 H ATOM 2127 HB2 MET B 36 10.114 13.170 -13.282 1.00 0.00 H ATOM 2128 HB3 MET B 36 9.714 14.008 -11.764 1.00 0.00 H ATOM 2129 HG2 MET B 36 12.246 12.539 -12.460 1.00 0.00 H ATOM 2130 HG3 MET B 36 11.839 13.073 -10.813 1.00 0.00 H ATOM 2131 HE1 MET B 36 13.168 13.858 -14.136 1.00 0.00 H ATOM 2132 HE2 MET B 36 11.454 14.187 -14.487 1.00 0.00 H ATOM 2133 HE3 MET B 36 12.644 15.511 -14.541 1.00 0.00 H ATOM 2134 H MET B 36 10.131 11.498 -9.638 1.00 0.00 H ATOM 2135 N ASN B 37 10.371 10.402 -13.479 1.00 39.65 N ATOM 2136 CA ASN B 37 11.124 9.253 -13.954 1.00 44.74 C ATOM 2137 C ASN B 37 12.429 9.818 -14.381 1.00 40.65 C ATOM 2138 O ASN B 37 12.539 10.756 -15.176 1.00 39.91 O ATOM 2139 CB ASN B 37 10.523 8.523 -15.169 1.00 56.44 C ATOM 2140 CG ASN B 37 9.930 7.126 -14.836 1.00 69.79 C ATOM 2141 OD1 ASN B 37 8.698 6.987 -14.778 1.00 75.76 O ATOM 2142 ND2 ASN B 37 10.651 6.006 -14.615 1.00 74.95 N ATOM 2143 HA ASN B 37 11.155 8.511 -13.156 1.00 0.00 H ATOM 2144 HB2 ASN B 37 9.728 9.143 -15.583 1.00 0.00 H ATOM 2145 HB3 ASN B 37 11.308 8.394 -15.914 1.00 0.00 H ATOM 2146 HD22 ASN B 37 11.690 6.042 -14.647 1.00 0.00 H ATOM 2147 HD21 ASN B 37 10.167 5.108 -14.413 1.00 0.00 H ATOM 2148 H ASN B 37 9.883 11.027 -14.151 1.00 0.00 H ATOM 2149 N LEU B 38 13.377 9.258 -13.639 1.00 37.13 N ATOM 2150 CA LEU B 38 14.754 9.545 -13.890 1.00 34.29 C ATOM 2151 C LEU B 38 15.494 8.291 -14.382 1.00 36.20 C ATOM 2152 O LEU B 38 14.985 7.158 -14.303 1.00 36.99 O ATOM 2153 CB LEU B 38 15.346 10.144 -12.595 1.00 29.62 C ATOM 2154 CG LEU B 38 15.103 11.662 -12.392 1.00 27.46 C ATOM 2155 CD1 LEU B 38 16.052 12.204 -11.359 1.00 25.56 C ATOM 2156 CD2 LEU B 38 15.240 12.373 -13.729 1.00 25.28 C ATOM 2157 HA LEU B 38 14.869 10.273 -14.693 1.00 0.00 H ATOM 2158 HB2 LEU B 38 14.906 9.617 -11.749 1.00 0.00 H ATOM 2159 HB3 LEU B 38 16.423 9.974 -12.607 1.00 0.00 H ATOM 2160 HG LEU B 38 14.093 11.836 -12.020 1.00 0.00 H ATOM 2161 HD21 LEU B 38 16.243 12.212 -14.124 1.00 0.00 H ATOM 2162 HD22 LEU B 38 14.505 11.974 -14.428 1.00 0.00 H ATOM 2163 HD23 LEU B 38 15.070 13.441 -13.590 1.00 0.00 H ATOM 2164 HD11 LEU B 38 15.892 11.686 -10.413 1.00 0.00 H ATOM 2165 HD12 LEU B 38 17.078 12.047 -11.692 1.00 0.00 H ATOM 2166 HD13 LEU B 38 15.871 13.271 -11.226 1.00 0.00 H ATOM 2167 H LEU B 38 13.116 8.607 -12.871 1.00 0.00 H ATOM 2168 N PRO B 39 16.660 8.440 -15.024 1.00 35.46 N ATOM 2169 CA PRO B 39 17.406 7.333 -15.576 1.00 35.99 C ATOM 2170 C PRO B 39 18.309 6.557 -14.600 1.00 33.36 C ATOM 2171 O PRO B 39 18.939 7.201 -13.713 1.00 33.22 O ATOM 2172 CB PRO B 39 18.145 8.032 -16.707 1.00 36.46 C ATOM 2173 CG PRO B 39 18.650 9.303 -16.023 1.00 35.99 C ATOM 2174 CD PRO B 39 17.359 9.698 -15.327 1.00 38.38 C ATOM 2175 HA PRO B 39 16.769 6.506 -15.888 1.00 0.00 H ATOM 2176 HD3 PRO B 39 17.575 10.242 -14.408 1.00 0.00 H ATOM 2177 HD2 PRO B 39 16.751 10.321 -15.982 1.00 0.00 H ATOM 2178 HG3 PRO B 39 18.979 10.055 -16.740 1.00 0.00 H ATOM 2179 HG2 PRO B 39 19.455 9.100 -15.316 1.00 0.00 H ATOM 2180 HB2 PRO B 39 18.972 7.425 -17.074 1.00 0.00 H ATOM 2181 HB3 PRO B 39 17.474 8.267 -17.533 1.00 0.00 H ATOM 2182 N GLY B 40 18.421 5.218 -14.837 1.00 31.70 N ATOM 2183 CA GLY B 40 19.432 4.440 -14.149 1.00 25.71 C ATOM 2184 C GLY B 40 18.889 3.880 -12.866 1.00 23.58 C ATOM 2185 O GLY B 40 17.666 3.737 -12.705 1.00 25.10 O ATOM 2186 HA3 GLY B 40 20.287 5.079 -13.927 1.00 0.00 H ATOM 2187 HA2 GLY B 40 19.751 3.619 -14.791 1.00 0.00 H ATOM 2188 H GLY B 40 17.780 4.755 -15.512 1.00 0.00 H ATOM 2189 N ARG B 41 19.879 3.482 -12.052 1.00 22.92 N ATOM 2190 CA ARG B 41 19.591 2.794 -10.807 1.00 21.38 C ATOM 2191 C ARG B 41 19.543 3.800 -9.690 1.00 21.66 C ATOM 2192 O ARG B 41 20.328 4.707 -9.761 1.00 23.57 O ATOM 2193 CB ARG B 41 20.678 1.742 -10.471 1.00 20.60 C ATOM 2194 CG ARG B 41 20.583 0.529 -11.378 1.00 20.07 C ATOM 2195 CD ARG B 41 21.603 -0.520 -11.031 1.00 21.55 C ATOM 2196 NE ARG B 41 21.396 -1.142 -9.714 1.00 23.67 N ATOM 2197 CZ ARG B 41 20.493 -2.115 -9.387 1.00 19.90 C ATOM 2198 NH1 ARG B 41 19.602 -2.692 -10.206 1.00 16.70 N ATOM 2199 NH2 ARG B 41 20.469 -2.543 -8.140 1.00 19.69 N ATOM 2200 HA ARG B 41 18.635 2.283 -10.919 1.00 0.00 H ATOM 2201 HB2 ARG B 41 21.661 2.198 -10.592 1.00 0.00 H ATOM 2202 HB3 ARG B 41 20.552 1.421 -9.437 1.00 0.00 H ATOM 2203 HG2 ARG B 41 19.587 0.096 -11.283 1.00 0.00 H ATOM 2204 HG3 ARG B 41 20.743 0.847 -12.408 1.00 0.00 H ATOM 2205 HD2 ARG B 41 22.589 -0.056 -11.040 1.00 0.00 H ATOM 2206 HD3 ARG B 41 21.563 -1.302 -11.790 1.00 0.00 H ATOM 2207 HE ARG B 41 22.007 -0.803 -8.943 1.00 0.00 H ATOM 2208 HH12 ARG B 41 18.961 -3.426 -9.843 1.00 0.00 H ATOM 2209 HH11 ARG B 41 19.552 -2.405 -11.204 1.00 0.00 H ATOM 2210 HH22 ARG B 41 19.795 -3.282 -7.857 1.00 0.00 H ATOM 2211 HH21 ARG B 41 21.124 -2.141 -7.440 1.00 0.00 H ATOM 2212 H ARG B 41 20.867 3.669 -12.317 1.00 0.00 H ATOM 2213 N TRP B 42 18.732 3.608 -8.674 1.00 20.35 N ATOM 2214 CA TRP B 42 18.683 4.427 -7.513 1.00 17.61 C ATOM 2215 C TRP B 42 19.077 3.679 -6.251 1.00 20.88 C ATOM 2216 O TRP B 42 19.137 2.436 -6.192 1.00 18.12 O ATOM 2217 CB TRP B 42 17.334 4.974 -7.421 1.00 12.92 C ATOM 2218 CG TRP B 42 16.222 3.980 -7.281 1.00 14.56 C ATOM 2219 CD1 TRP B 42 15.591 3.406 -8.351 1.00 16.81 C ATOM 2220 CD2 TRP B 42 15.706 3.584 -6.097 1.00 16.32 C ATOM 2221 NE1 TRP B 42 14.654 2.634 -7.841 1.00 14.36 N ATOM 2222 CE2 TRP B 42 14.693 2.699 -6.510 1.00 16.27 C ATOM 2223 CE3 TRP B 42 15.958 3.850 -4.755 1.00 13.98 C ATOM 2224 CZ2 TRP B 42 13.898 2.041 -5.585 1.00 13.74 C ATOM 2225 CZ3 TRP B 42 15.142 3.178 -3.850 1.00 17.13 C ATOM 2226 CH2 TRP B 42 14.121 2.280 -4.253 1.00 16.12 C ATOM 2227 HA TRP B 42 19.414 5.230 -7.602 1.00 0.00 H ATOM 2228 HB2 TRP B 42 17.301 5.633 -6.554 1.00 0.00 H ATOM 2229 HB3 TRP B 42 17.149 5.555 -8.325 1.00 0.00 H ATOM 2230 HE1 TRP B 42 13.985 2.060 -8.393 1.00 0.00 H ATOM 2231 HD1 TRP B 42 15.817 3.557 -9.407 1.00 0.00 H ATOM 2232 HZ2 TRP B 42 13.117 1.352 -5.907 1.00 0.00 H ATOM 2233 HH2 TRP B 42 13.511 1.778 -3.502 1.00 0.00 H ATOM 2234 HZ3 TRP B 42 15.294 3.349 -2.784 1.00 0.00 H ATOM 2235 HE3 TRP B 42 16.741 4.537 -4.434 1.00 0.00 H ATOM 2236 H TRP B 42 18.080 2.799 -8.723 1.00 0.00 H ATOM 2237 N LYS B 43 19.380 4.469 -5.238 1.00 20.92 N ATOM 2238 CA LYS B 43 19.778 3.982 -3.918 1.00 23.20 C ATOM 2239 C LYS B 43 18.836 4.581 -2.881 1.00 22.19 C ATOM 2240 O LYS B 43 18.142 5.538 -3.210 1.00 22.78 O ATOM 2241 CB LYS B 43 21.191 4.380 -3.590 1.00 28.97 C ATOM 2242 CG LYS B 43 22.283 3.429 -4.051 1.00 40.22 C ATOM 2243 CD LYS B 43 23.459 4.381 -3.877 1.00 50.65 C ATOM 2244 CE LYS B 43 24.901 3.863 -3.809 1.00 58.44 C ATOM 2245 NZ LYS B 43 25.775 5.028 -3.647 1.00 62.45 N ATOM 2246 HA LYS B 43 19.724 2.893 -3.913 1.00 0.00 H ATOM 2247 HB2 LYS B 43 21.379 5.350 -4.051 1.00 0.00 H ATOM 2248 HB3 LYS B 43 21.267 4.473 -2.507 1.00 0.00 H ATOM 2249 HG2 LYS B 43 22.363 2.548 -3.414 1.00 0.00 H ATOM 2250 HG3 LYS B 43 22.151 3.116 -5.087 1.00 0.00 H ATOM 2251 HD2 LYS B 43 23.420 5.076 -4.716 1.00 0.00 H ATOM 2252 HD3 LYS B 43 23.282 4.924 -2.948 1.00 0.00 H ATOM 2253 HE2 LYS B 43 25.151 3.333 -4.728 1.00 0.00 H ATOM 2254 HE3 LYS B 43 25.016 3.189 -2.960 1.00 0.00 H ATOM 2255 HZ1 LYS B 43 25.654 5.666 -4.459 1.00 0.00 H ATOM 2256 HZ2 LYS B 43 25.525 5.529 -2.770 1.00 0.00 H ATOM 2257 HZ3 LYS B 43 26.765 4.713 -3.597 1.00 0.00 H ATOM 2258 H LYS B 43 19.333 5.497 -5.387 1.00 0.00 H ATOM 2259 N PRO B 44 18.565 3.960 -1.719 1.00 23.74 N ATOM 2260 CA PRO B 44 17.532 4.419 -0.825 1.00 20.41 C ATOM 2261 C PRO B 44 18.096 5.560 0.026 1.00 22.87 C ATOM 2262 O PRO B 44 19.301 5.526 0.343 1.00 21.73 O ATOM 2263 CB PRO B 44 17.190 3.202 -0.013 1.00 20.94 C ATOM 2264 CG PRO B 44 18.474 2.418 0.073 1.00 21.71 C ATOM 2265 CD PRO B 44 19.171 2.661 -1.265 1.00 23.28 C ATOM 2266 HA PRO B 44 16.644 4.816 -1.318 1.00 0.00 H ATOM 2267 HD3 PRO B 44 20.249 2.753 -1.136 1.00 0.00 H ATOM 2268 HD2 PRO B 44 18.958 1.859 -1.972 1.00 0.00 H ATOM 2269 HG3 PRO B 44 18.268 1.357 0.211 1.00 0.00 H ATOM 2270 HG2 PRO B 44 19.089 2.778 0.898 1.00 0.00 H ATOM 2271 HB2 PRO B 44 16.848 3.488 0.982 1.00 0.00 H ATOM 2272 HB3 PRO B 44 16.415 2.616 -0.508 1.00 0.00 H ATOM 2273 N LYS B 45 17.281 6.578 0.415 1.00 23.23 N ATOM 2274 CA LYS B 45 17.739 7.549 1.386 1.00 22.91 C ATOM 2275 C LYS B 45 16.533 7.996 2.186 1.00 20.28 C ATOM 2276 O LYS B 45 15.415 7.953 1.729 1.00 21.46 O ATOM 2277 CB LYS B 45 18.401 8.717 0.665 1.00 28.80 C ATOM 2278 CG LYS B 45 19.377 9.372 1.641 1.00 34.28 C ATOM 2279 CD LYS B 45 19.955 10.450 0.808 1.00 39.15 C ATOM 2280 CE LYS B 45 21.291 10.888 1.300 1.00 42.04 C ATOM 2281 NZ LYS B 45 21.196 11.544 2.572 1.00 43.41 N ATOM 2282 HA LYS B 45 18.481 7.121 2.060 1.00 0.00 H ATOM 2283 HB2 LYS B 45 18.938 8.356 -0.212 1.00 0.00 H ATOM 2284 HB3 LYS B 45 17.645 9.439 0.355 1.00 0.00 H ATOM 2285 HG2 LYS B 45 18.859 9.776 2.511 1.00 0.00 H ATOM 2286 HG3 LYS B 45 20.143 8.669 1.970 1.00 0.00 H ATOM 2287 HD2 LYS B 45 20.059 10.086 -0.214 1.00 0.00 H ATOM 2288 HD3 LYS B 45 19.279 11.305 0.821 1.00 0.00 H ATOM 2289 HE2 LYS B 45 21.726 11.578 0.577 1.00 0.00 H ATOM 2290 HE3 LYS B 45 21.936 10.015 1.399 1.00 0.00 H ATOM 2291 HZ1 LYS B 45 20.587 12.382 2.484 1.00 0.00 H ATOM 2292 HZ2 LYS B 45 20.787 10.889 3.269 1.00 0.00 H ATOM 2293 HZ3 LYS B 45 22.145 11.835 2.883 1.00 0.00 H ATOM 2294 H LYS B 45 16.325 6.659 0.013 1.00 0.00 H ATOM 2295 N MET B 46 16.743 8.377 3.422 1.00 22.28 N ATOM 2296 CA MET B 46 15.736 8.832 4.358 1.00 25.84 C ATOM 2297 C MET B 46 16.143 10.293 4.527 1.00 26.11 C ATOM 2298 O MET B 46 17.354 10.501 4.756 1.00 26.90 O ATOM 2299 CB MET B 46 15.940 8.253 5.681 1.00 33.15 C ATOM 2300 CG MET B 46 14.722 8.309 6.493 1.00 42.80 C ATOM 2301 SD MET B 46 13.847 6.892 5.826 1.00 49.10 S ATOM 2302 CE MET B 46 14.773 5.640 6.667 1.00 46.32 C ATOM 2303 HA MET B 46 14.726 8.606 4.017 1.00 0.00 H ATOM 2304 HB2 MET B 46 16.242 7.212 5.568 1.00 0.00 H ATOM 2305 HB3 MET B 46 16.730 8.805 6.190 1.00 0.00 H ATOM 2306 HG2 MET B 46 14.172 9.237 6.336 1.00 0.00 H ATOM 2307 HG3 MET B 46 14.936 8.191 7.555 1.00 0.00 H ATOM 2308 HE1 MET B 46 15.823 5.713 6.382 1.00 0.00 H ATOM 2309 HE2 MET B 46 14.677 5.780 7.744 1.00 0.00 H ATOM 2310 HE3 MET B 46 14.388 4.658 6.391 1.00 0.00 H ATOM 2311 H MET B 46 17.725 8.350 3.763 1.00 0.00 H ATOM 2312 N ILE B 47 15.280 11.308 4.392 1.00 23.40 N ATOM 2313 CA ILE B 47 15.708 12.677 4.648 1.00 22.58 C ATOM 2314 C ILE B 47 14.758 13.228 5.662 1.00 18.78 C ATOM 2315 O ILE B 47 13.583 12.892 5.660 1.00 18.97 O ATOM 2316 CB ILE B 47 15.697 13.593 3.374 1.00 22.26 C ATOM 2317 CG1 ILE B 47 14.417 13.581 2.682 1.00 18.76 C ATOM 2318 CG2 ILE B 47 16.699 13.074 2.370 1.00 23.58 C ATOM 2319 CD1 ILE B 47 14.300 14.548 1.503 1.00 24.66 C ATOM 2320 HA ILE B 47 16.743 12.663 4.990 1.00 0.00 H ATOM 2321 HB ILE B 47 15.922 14.599 3.727 1.00 0.00 H ATOM 2322 HG12 ILE B 47 14.246 12.572 2.308 1.00 0.00 H ATOM 2323 HG13 ILE B 47 13.641 13.835 3.404 1.00 0.00 H ATOM 2324 HD11 ILE B 47 14.452 15.568 1.855 1.00 0.00 H ATOM 2325 HD12 ILE B 47 15.057 14.303 0.758 1.00 0.00 H ATOM 2326 HD13 ILE B 47 13.309 14.459 1.059 1.00 0.00 H ATOM 2327 HG21 ILE B 47 17.694 13.082 2.815 1.00 0.00 H ATOM 2328 HG22 ILE B 47 16.434 12.055 2.087 1.00 0.00 H ATOM 2329 HG23 ILE B 47 16.689 13.712 1.486 1.00 0.00 H ATOM 2330 H ILE B 47 14.299 11.118 4.103 1.00 0.00 H ATOM 2331 N GLY B 48 15.218 14.090 6.539 1.00 17.17 N ATOM 2332 CA GLY B 48 14.318 14.626 7.538 1.00 16.02 C ATOM 2333 C GLY B 48 14.092 16.087 7.300 1.00 14.33 C ATOM 2334 O GLY B 48 15.000 16.769 6.888 1.00 17.35 O ATOM 2335 HA3 GLY B 48 14.753 14.485 8.528 1.00 0.00 H ATOM 2336 HA2 GLY B 48 13.365 14.100 7.483 1.00 0.00 H ATOM 2337 H GLY B 48 16.215 14.384 6.516 1.00 0.00 H ATOM 2338 N GLY B 49 12.871 16.475 7.523 1.00 16.78 N ATOM 2339 CA GLY B 49 12.405 17.832 7.364 1.00 17.14 C ATOM 2340 C GLY B 49 11.764 18.200 8.651 1.00 17.01 C ATOM 2341 O GLY B 49 11.899 17.530 9.659 1.00 17.24 O ATOM 2342 HA3 GLY B 49 11.682 17.891 6.550 1.00 0.00 H ATOM 2343 HA2 GLY B 49 13.242 18.498 7.154 1.00 0.00 H ATOM 2344 H GLY B 49 12.184 15.760 7.837 1.00 0.00 H ATOM 2345 N ILE B 50 10.948 19.205 8.574 1.00 17.70 N ATOM 2346 CA ILE B 50 10.461 19.824 9.767 1.00 18.35 C ATOM 2347 C ILE B 50 9.500 18.925 10.490 1.00 21.36 C ATOM 2348 O ILE B 50 9.444 18.908 11.734 1.00 19.79 O ATOM 2349 CB ILE B 50 9.866 21.239 9.334 1.00 16.14 C ATOM 2350 CG1 ILE B 50 9.610 22.082 10.580 1.00 19.67 C ATOM 2351 CG2 ILE B 50 8.506 21.194 8.682 1.00 18.33 C ATOM 2352 CD1 ILE B 50 10.858 22.317 11.427 1.00 21.86 C ATOM 2353 HA ILE B 50 11.250 19.994 10.500 1.00 0.00 H ATOM 2354 HB ILE B 50 10.607 21.627 8.636 1.00 0.00 H ATOM 2355 HG12 ILE B 50 9.219 23.050 10.267 1.00 0.00 H ATOM 2356 HG13 ILE B 50 8.867 21.573 11.194 1.00 0.00 H ATOM 2357 HD11 ILE B 50 11.256 21.358 11.759 1.00 0.00 H ATOM 2358 HD12 ILE B 50 11.608 22.837 10.831 1.00 0.00 H ATOM 2359 HD13 ILE B 50 10.598 22.923 12.295 1.00 0.00 H ATOM 2360 HG21 ILE B 50 8.558 20.589 7.777 1.00 0.00 H ATOM 2361 HG22 ILE B 50 7.787 20.754 9.373 1.00 0.00 H ATOM 2362 HG23 ILE B 50 8.193 22.206 8.427 1.00 0.00 H ATOM 2363 H ILE B 50 10.648 19.561 7.644 1.00 0.00 H ATOM 2364 N GLY B 51 8.748 18.170 9.701 1.00 19.85 N ATOM 2365 CA GLY B 51 7.773 17.320 10.343 1.00 21.31 C ATOM 2366 C GLY B 51 8.276 15.908 10.556 1.00 22.08 C ATOM 2367 O GLY B 51 7.574 15.129 11.162 1.00 24.11 O ATOM 2368 HA3 GLY B 51 6.880 17.282 9.720 1.00 0.00 H ATOM 2369 HA2 GLY B 51 7.520 17.750 11.312 1.00 0.00 H ATOM 2370 H GLY B 51 8.855 18.189 8.667 1.00 0.00 H ATOM 2371 N GLY B 52 9.441 15.477 10.149 1.00 23.89 N ATOM 2372 CA GLY B 52 9.787 14.085 10.304 1.00 26.11 C ATOM 2373 C GLY B 52 10.565 13.665 9.070 1.00 27.77 C ATOM 2374 O GLY B 52 11.165 14.486 8.374 1.00 24.25 O ATOM 2375 HA3 GLY B 52 8.882 13.485 10.395 1.00 0.00 H ATOM 2376 HA2 GLY B 52 10.401 13.951 11.194 1.00 0.00 H ATOM 2377 H GLY B 52 10.117 16.136 9.714 1.00 0.00 H ATOM 2378 N PHE B 53 10.570 12.380 8.720 1.00 29.17 N ATOM 2379 CA PHE B 53 11.430 11.801 7.660 1.00 28.44 C ATOM 2380 C PHE B 53 10.602 11.218 6.518 1.00 27.23 C ATOM 2381 O PHE B 53 9.454 10.816 6.712 1.00 26.28 O ATOM 2382 CB PHE B 53 12.330 10.670 8.207 1.00 30.33 C ATOM 2383 CG PHE B 53 13.346 11.116 9.234 1.00 32.98 C ATOM 2384 CD1 PHE B 53 12.879 11.462 10.508 1.00 37.97 C ATOM 2385 CD2 PHE B 53 14.702 11.237 8.917 1.00 35.75 C ATOM 2386 CE1 PHE B 53 13.756 11.941 11.477 1.00 36.03 C ATOM 2387 CE2 PHE B 53 15.582 11.726 9.902 1.00 38.77 C ATOM 2388 CZ PHE B 53 15.112 12.080 11.182 1.00 38.31 C ATOM 2389 HA PHE B 53 12.045 12.624 7.295 1.00 0.00 H ATOM 2390 HB2 PHE B 53 11.689 9.917 8.667 1.00 0.00 H ATOM 2391 HB3 PHE B 53 12.866 10.226 7.368 1.00 0.00 H ATOM 2392 HD2 PHE B 53 15.070 10.959 7.929 1.00 0.00 H ATOM 2393 HE2 PHE B 53 16.642 11.832 9.671 1.00 0.00 H ATOM 2394 HZ PHE B 53 15.802 12.459 11.935 1.00 0.00 H ATOM 2395 HE1 PHE B 53 13.383 12.207 12.466 1.00 0.00 H ATOM 2396 HD1 PHE B 53 11.820 11.355 10.743 1.00 0.00 H ATOM 2397 H PHE B 53 9.926 11.738 9.225 1.00 0.00 H ATOM 2398 N ILE B 54 11.165 11.214 5.318 1.00 24.64 N ATOM 2399 CA ILE B 54 10.579 10.585 4.172 1.00 22.95 C ATOM 2400 C ILE B 54 11.645 9.718 3.525 1.00 24.09 C ATOM 2401 O ILE B 54 12.836 10.001 3.673 1.00 23.50 O ATOM 2402 CB ILE B 54 10.084 11.565 3.089 1.00 23.25 C ATOM 2403 CG1 ILE B 54 11.083 12.633 2.712 1.00 20.72 C ATOM 2404 CG2 ILE B 54 8.791 12.094 3.601 1.00 24.49 C ATOM 2405 CD1 ILE B 54 10.449 13.285 1.473 1.00 22.79 C ATOM 2406 HA ILE B 54 9.712 10.032 4.532 1.00 0.00 H ATOM 2407 HB ILE B 54 9.948 11.054 2.136 1.00 0.00 H ATOM 2408 HG12 ILE B 54 11.203 13.358 3.517 1.00 0.00 H ATOM 2409 HG13 ILE B 54 12.052 12.195 2.471 1.00 0.00 H ATOM 2410 HD11 ILE B 54 10.325 12.534 0.692 1.00 0.00 H ATOM 2411 HD12 ILE B 54 9.476 13.698 1.739 1.00 0.00 H ATOM 2412 HD13 ILE B 54 11.098 14.083 1.112 1.00 0.00 H ATOM 2413 HG21 ILE B 54 8.093 11.269 3.744 1.00 0.00 H ATOM 2414 HG22 ILE B 54 8.958 12.599 4.552 1.00 0.00 H ATOM 2415 HG23 ILE B 54 8.378 12.800 2.881 1.00 0.00 H ATOM 2416 H ILE B 54 12.081 11.693 5.202 1.00 0.00 H ATOM 2417 N LYS B 55 11.216 8.688 2.767 1.00 24.01 N ATOM 2418 CA LYS B 55 12.137 7.817 2.061 1.00 23.83 C ATOM 2419 C LYS B 55 12.199 8.397 0.690 1.00 19.37 C ATOM 2420 O LYS B 55 11.153 8.802 0.193 1.00 18.95 O ATOM 2421 CB LYS B 55 11.635 6.405 1.901 1.00 28.04 C ATOM 2422 CG LYS B 55 11.902 5.622 3.149 1.00 40.65 C ATOM 2423 CD LYS B 55 12.242 4.160 2.788 1.00 56.86 C ATOM 2424 CE LYS B 55 13.632 3.538 3.263 1.00 61.55 C ATOM 2425 NZ LYS B 55 14.848 4.116 2.677 1.00 60.24 N ATOM 2426 HA LYS B 55 13.078 7.764 2.609 1.00 0.00 H ATOM 2427 HB2 LYS B 55 10.562 6.423 1.708 1.00 0.00 H ATOM 2428 HB3 LYS B 55 12.146 5.933 1.062 1.00 0.00 H ATOM 2429 HG2 LYS B 55 12.741 6.067 3.683 1.00 0.00 H ATOM 2430 HG3 LYS B 55 11.017 5.641 3.785 1.00 0.00 H ATOM 2431 HD2 LYS B 55 11.454 3.537 3.211 1.00 0.00 H ATOM 2432 HD3 LYS B 55 12.216 4.087 1.701 1.00 0.00 H ATOM 2433 HE2 LYS B 55 13.620 2.476 3.018 1.00 0.00 H ATOM 2434 HE3 LYS B 55 13.696 3.660 4.344 1.00 0.00 H ATOM 2435 HZ1 LYS B 55 14.823 3.998 1.644 1.00 0.00 H ATOM 2436 HZ2 LYS B 55 14.896 5.128 2.910 1.00 0.00 H ATOM 2437 HZ3 LYS B 55 15.682 3.630 3.063 1.00 0.00 H ATOM 2438 H LYS B 55 10.194 8.513 2.686 1.00 0.00 H ATOM 2439 N VAL B 56 13.365 8.524 0.100 1.00 17.38 N ATOM 2440 CA VAL B 56 13.475 9.045 -1.206 1.00 17.41 C ATOM 2441 C VAL B 56 14.426 8.115 -1.956 1.00 16.10 C ATOM 2442 O VAL B 56 15.127 7.258 -1.388 1.00 15.02 O ATOM 2443 CB VAL B 56 14.004 10.530 -1.128 1.00 14.36 C ATOM 2444 CG1 VAL B 56 12.995 11.455 -0.504 1.00 11.36 C ATOM 2445 CG2 VAL B 56 15.281 10.551 -0.371 1.00 15.95 C ATOM 2446 HA VAL B 56 12.521 9.086 -1.731 1.00 0.00 H ATOM 2447 HB VAL B 56 14.173 10.891 -2.142 1.00 0.00 H ATOM 2448 HG11 VAL B 56 12.082 11.449 -1.099 1.00 0.00 H ATOM 2449 HG12 VAL B 56 12.773 11.118 0.509 1.00 0.00 H ATOM 2450 HG13 VAL B 56 13.402 12.466 -0.471 1.00 0.00 H ATOM 2451 HG21 VAL B 56 15.112 10.168 0.635 1.00 0.00 H ATOM 2452 HG22 VAL B 56 16.014 9.926 -0.881 1.00 0.00 H ATOM 2453 HG23 VAL B 56 15.651 11.575 -0.314 1.00 0.00 H ATOM 2454 H VAL B 56 14.226 8.234 0.606 1.00 0.00 H ATOM 2455 N ARG B 57 14.448 8.295 -3.271 1.00 13.53 N ATOM 2456 CA ARG B 57 15.283 7.502 -4.135 1.00 14.25 C ATOM 2457 C ARG B 57 16.383 8.414 -4.598 1.00 14.67 C ATOM 2458 O ARG B 57 16.102 9.465 -5.176 1.00 16.94 O ATOM 2459 CB ARG B 57 14.504 7.022 -5.346 1.00 11.01 C ATOM 2460 CG ARG B 57 13.206 6.325 -4.921 1.00 15.78 C ATOM 2461 CD ARG B 57 12.414 5.634 -6.034 1.00 22.49 C ATOM 2462 NE ARG B 57 12.496 6.297 -7.325 1.00 25.62 N ATOM 2463 CZ ARG B 57 11.578 7.149 -7.827 1.00 31.07 C ATOM 2464 NH1 ARG B 57 10.482 7.461 -7.154 1.00 28.35 N ATOM 2465 NH2 ARG B 57 11.771 7.718 -9.044 1.00 32.66 N ATOM 2466 HA ARG B 57 15.659 6.625 -3.608 1.00 0.00 H ATOM 2467 HB2 ARG B 57 14.260 7.878 -5.976 1.00 0.00 H ATOM 2468 HB3 ARG B 57 15.118 6.320 -5.910 1.00 0.00 H ATOM 2469 HG2 ARG B 57 13.462 5.571 -4.177 1.00 0.00 H ATOM 2470 HG3 ARG B 57 12.558 7.076 -4.468 1.00 0.00 H ATOM 2471 HD2 ARG B 57 11.366 5.596 -5.735 1.00 0.00 H ATOM 2472 HD3 ARG B 57 12.796 4.619 -6.146 1.00 0.00 H ATOM 2473 HE ARG B 57 13.332 6.098 -7.911 1.00 0.00 H ATOM 2474 HH12 ARG B 57 9.790 8.121 -7.564 1.00 0.00 H ATOM 2475 HH11 ARG B 57 10.313 7.047 -6.215 1.00 0.00 H ATOM 2476 HH22 ARG B 57 11.062 8.374 -9.429 1.00 0.00 H ATOM 2477 HH21 ARG B 57 12.628 7.498 -9.591 1.00 0.00 H ATOM 2478 H ARG B 57 13.844 9.031 -3.690 1.00 0.00 H ATOM 2479 N GLN B 58 17.618 8.010 -4.413 1.00 15.34 N ATOM 2480 CA GLN B 58 18.764 8.727 -4.888 1.00 15.06 C ATOM 2481 C GLN B 58 19.272 8.378 -6.264 1.00 17.92 C ATOM 2482 O GLN B 58 19.659 7.237 -6.508 1.00 21.05 O ATOM 2483 CB GLN B 58 19.835 8.526 -3.867 1.00 12.47 C ATOM 2484 CG GLN B 58 21.028 9.268 -4.273 1.00 18.42 C ATOM 2485 CD GLN B 58 22.097 9.054 -3.261 1.00 22.26 C ATOM 2486 OE1 GLN B 58 21.842 8.992 -2.077 1.00 29.25 O ATOM 2487 NE2 GLN B 58 23.352 9.005 -3.607 1.00 24.97 N ATOM 2488 HA GLN B 58 18.459 9.766 -5.011 1.00 0.00 H ATOM 2489 HB2 GLN B 58 19.490 8.890 -2.899 1.00 0.00 H ATOM 2490 HB3 GLN B 58 20.073 7.465 -3.791 1.00 0.00 H ATOM 2491 HG2 GLN B 58 21.368 8.911 -5.245 1.00 0.00 H ATOM 2492 HG3 GLN B 58 20.794 10.330 -4.339 1.00 0.00 H ATOM 2493 HE22 GLN B 58 23.617 9.055 -4.611 1.00 0.00 H ATOM 2494 HE21 GLN B 58 24.089 8.916 -2.879 1.00 0.00 H ATOM 2495 H GLN B 58 17.773 7.122 -3.894 1.00 0.00 H ATOM 2496 N TYR B 59 19.364 9.312 -7.179 1.00 15.94 N ATOM 2497 CA TYR B 59 19.962 9.108 -8.471 1.00 15.99 C ATOM 2498 C TYR B 59 21.249 9.928 -8.579 1.00 21.15 C ATOM 2499 O TYR B 59 21.355 11.055 -8.050 1.00 21.01 O ATOM 2500 CB TYR B 59 19.016 9.561 -9.506 1.00 15.95 C ATOM 2501 CG TYR B 59 17.740 8.782 -9.583 1.00 16.91 C ATOM 2502 CD1 TYR B 59 16.662 9.077 -8.748 1.00 16.53 C ATOM 2503 CD2 TYR B 59 17.672 7.704 -10.471 1.00 15.62 C ATOM 2504 CE1 TYR B 59 15.486 8.342 -8.841 1.00 19.34 C ATOM 2505 CE2 TYR B 59 16.504 6.951 -10.567 1.00 15.37 C ATOM 2506 CZ TYR B 59 15.424 7.273 -9.749 1.00 19.59 C ATOM 2507 OH TYR B 59 14.273 6.529 -9.845 1.00 21.23 O ATOM 2508 HA TYR B 59 20.194 8.052 -8.605 1.00 0.00 H ATOM 2509 HB3 TYR B 59 19.514 9.491 -10.473 1.00 0.00 H ATOM 2510 HB2 TYR B 59 18.765 10.602 -9.302 1.00 0.00 H ATOM 2511 HD2 TYR B 59 18.534 7.453 -11.089 1.00 0.00 H ATOM 2512 HE2 TYR B 59 16.436 6.122 -11.272 1.00 0.00 H ATOM 2513 HE1 TYR B 59 14.626 8.591 -8.219 1.00 0.00 H ATOM 2514 HD1 TYR B 59 16.742 9.885 -8.021 1.00 0.00 H ATOM 2515 HH TYR B 59 13.602 6.877 -9.205 1.00 0.00 H ATOM 2516 H TYR B 59 18.983 10.254 -6.958 1.00 0.00 H ATOM 2517 N ASP B 60 22.320 9.453 -9.215 1.00 21.37 N ATOM 2518 CA ASP B 60 23.541 10.251 -9.271 1.00 24.50 C ATOM 2519 C ASP B 60 23.890 10.771 -10.662 1.00 23.40 C ATOM 2520 O ASP B 60 23.303 10.287 -11.599 1.00 20.74 O ATOM 2521 CB ASP B 60 24.682 9.396 -8.696 1.00 29.28 C ATOM 2522 CG ASP B 60 24.577 8.965 -7.227 1.00 35.32 C ATOM 2523 OD1 ASP B 60 24.002 9.678 -6.415 1.00 35.80 O ATOM 2524 OD2 ASP B 60 25.095 7.894 -6.902 1.00 43.42 O ATOM 2525 HA ASP B 60 23.382 11.153 -8.680 1.00 0.00 H ATOM 2526 HB2 ASP B 60 24.746 8.490 -9.298 1.00 0.00 H ATOM 2527 HB3 ASP B 60 25.604 9.968 -8.803 1.00 0.00 H ATOM 2528 H ASP B 60 22.286 8.518 -9.669 1.00 0.00 H ATOM 2529 N GLN B 61 24.770 11.725 -10.896 1.00 23.91 N ATOM 2530 CA GLN B 61 25.110 12.219 -12.219 1.00 25.89 C ATOM 2531 C GLN B 61 23.968 12.629 -13.102 1.00 22.72 C ATOM 2532 O GLN B 61 23.966 12.344 -14.301 1.00 24.16 O ATOM 2533 CB GLN B 61 25.954 11.209 -12.979 1.00 31.01 C ATOM 2534 CG GLN B 61 27.335 11.016 -12.402 1.00 45.26 C ATOM 2535 CD GLN B 61 28.168 12.228 -12.010 1.00 51.03 C ATOM 2536 OE1 GLN B 61 27.883 12.785 -10.967 1.00 54.32 O ATOM 2537 NE2 GLN B 61 29.260 12.699 -12.589 1.00 54.65 N ATOM 2538 HA GLN B 61 25.660 13.134 -11.997 1.00 0.00 H ATOM 2539 HB2 GLN B 61 25.438 10.249 -12.965 1.00 0.00 H ATOM 2540 HB3 GLN B 61 26.056 11.551 -14.009 1.00 0.00 H ATOM 2541 HG2 GLN B 61 27.220 10.408 -11.505 1.00 0.00 H ATOM 2542 HG3 GLN B 61 27.912 10.462 -13.143 1.00 0.00 H ATOM 2543 HE22 GLN B 61 29.590 12.291 -13.487 1.00 0.00 H ATOM 2544 HE21 GLN B 61 29.789 13.478 -12.147 1.00 0.00 H ATOM 2545 H GLN B 61 25.252 12.152 -10.079 1.00 0.00 H ATOM 2546 N ILE B 62 23.047 13.409 -12.509 1.00 21.55 N ATOM 2547 CA ILE B 62 21.863 13.905 -13.201 1.00 20.33 C ATOM 2548 C ILE B 62 22.136 15.346 -13.604 1.00 19.57 C ATOM 2549 O ILE B 62 22.622 16.126 -12.778 1.00 20.31 O ATOM 2550 CB ILE B 62 20.619 13.811 -12.237 1.00 16.92 C ATOM 2551 CG1 ILE B 62 20.332 12.310 -11.854 1.00 17.13 C ATOM 2552 CG2 ILE B 62 19.407 14.470 -12.884 1.00 13.82 C ATOM 2553 CD1 ILE B 62 19.897 11.349 -12.988 1.00 13.50 C ATOM 2554 HA ILE B 62 21.644 13.312 -14.089 1.00 0.00 H ATOM 2555 HB ILE B 62 20.839 14.347 -11.314 1.00 0.00 H ATOM 2556 HG12 ILE B 62 21.244 11.905 -11.416 1.00 0.00 H ATOM 2557 HG13 ILE B 62 19.540 12.310 -11.105 1.00 0.00 H ATOM 2558 HD11 ILE B 62 18.972 11.713 -13.436 1.00 0.00 H ATOM 2559 HD12 ILE B 62 20.678 11.307 -13.747 1.00 0.00 H ATOM 2560 HD13 ILE B 62 19.735 10.353 -12.576 1.00 0.00 H ATOM 2561 HG21 ILE B 62 19.628 15.518 -13.083 1.00 0.00 H ATOM 2562 HG22 ILE B 62 19.175 13.962 -13.820 1.00 0.00 H ATOM 2563 HG23 ILE B 62 18.553 14.399 -12.210 1.00 0.00 H ATOM 2564 H ILE B 62 23.185 13.670 -11.512 1.00 0.00 H ATOM 2565 N LEU B 63 21.904 15.727 -14.850 1.00 20.35 N ATOM 2566 CA LEU B 63 21.949 17.134 -15.236 1.00 24.08 C ATOM 2567 C LEU B 63 20.599 17.865 -15.062 1.00 21.64 C ATOM 2568 O LEU B 63 19.441 17.422 -15.287 1.00 20.35 O ATOM 2569 CB LEU B 63 22.409 17.290 -16.694 1.00 31.78 C ATOM 2570 CG LEU B 63 22.604 18.698 -17.325 1.00 36.76 C ATOM 2571 CD1 LEU B 63 23.865 19.431 -16.856 1.00 37.57 C ATOM 2572 CD2 LEU B 63 22.772 18.468 -18.807 1.00 41.50 C ATOM 2573 HA LEU B 63 22.667 17.596 -14.558 1.00 0.00 H ATOM 2574 HB2 LEU B 63 23.368 16.779 -16.773 1.00 0.00 H ATOM 2575 HB3 LEU B 63 21.672 16.774 -17.309 1.00 0.00 H ATOM 2576 HG LEU B 63 21.749 19.310 -17.039 1.00 0.00 H ATOM 2577 HD21 LEU B 63 23.642 17.834 -18.979 1.00 0.00 H ATOM 2578 HD22 LEU B 63 21.881 17.979 -19.201 1.00 0.00 H ATOM 2579 HD23 LEU B 63 22.914 19.425 -19.308 1.00 0.00 H ATOM 2580 HD11 LEU B 63 23.823 19.569 -15.776 1.00 0.00 H ATOM 2581 HD12 LEU B 63 24.744 18.841 -17.115 1.00 0.00 H ATOM 2582 HD13 LEU B 63 23.922 20.403 -17.345 1.00 0.00 H ATOM 2583 H LEU B 63 21.685 15.009 -15.569 1.00 0.00 H ATOM 2584 N ILE B 64 20.805 19.072 -14.570 1.00 21.12 N ATOM 2585 CA ILE B 64 19.700 19.925 -14.219 1.00 23.43 C ATOM 2586 C ILE B 64 20.283 21.283 -14.468 1.00 22.69 C ATOM 2587 O ILE B 64 21.439 21.575 -14.166 1.00 23.69 O ATOM 2588 CB ILE B 64 19.349 19.583 -12.747 1.00 26.59 C ATOM 2589 CG1 ILE B 64 18.237 20.414 -12.241 1.00 31.73 C ATOM 2590 CG2 ILE B 64 20.547 19.807 -11.841 1.00 33.84 C ATOM 2591 CD1 ILE B 64 17.772 19.618 -10.965 1.00 35.91 C ATOM 2592 HA ILE B 64 18.760 19.831 -14.763 1.00 0.00 H ATOM 2593 HB ILE B 64 19.053 18.534 -12.736 1.00 0.00 H ATOM 2594 HG12 ILE B 64 18.580 21.415 -11.978 1.00 0.00 H ATOM 2595 HG13 ILE B 64 17.434 20.487 -12.974 1.00 0.00 H ATOM 2596 HD11 ILE B 64 17.454 18.617 -11.258 1.00 0.00 H ATOM 2597 HD12 ILE B 64 18.601 19.545 -10.261 1.00 0.00 H ATOM 2598 HD13 ILE B 64 16.940 20.142 -10.495 1.00 0.00 H ATOM 2599 HG21 ILE B 64 21.370 19.169 -12.164 1.00 0.00 H ATOM 2600 HG22 ILE B 64 20.853 20.852 -11.896 1.00 0.00 H ATOM 2601 HG23 ILE B 64 20.276 19.560 -10.814 1.00 0.00 H ATOM 2602 H ILE B 64 21.779 19.411 -14.434 1.00 0.00 H ATOM 2603 N GLU B 65 19.525 22.044 -15.224 1.00 23.79 N ATOM 2604 CA GLU B 65 19.881 23.426 -15.496 1.00 23.79 C ATOM 2605 C GLU B 65 19.067 24.319 -14.533 1.00 21.13 C ATOM 2606 O GLU B 65 17.860 24.190 -14.368 1.00 21.92 O ATOM 2607 CB GLU B 65 19.564 23.518 -16.934 1.00 25.32 C ATOM 2608 CG GLU B 65 20.156 24.712 -17.541 1.00 41.44 C ATOM 2609 CD GLU B 65 19.562 24.939 -18.921 1.00 48.70 C ATOM 2610 OE1 GLU B 65 19.771 24.073 -19.784 1.00 53.10 O ATOM 2611 OE2 GLU B 65 18.873 25.957 -19.094 1.00 51.27 O ATOM 2612 HA GLU B 65 20.908 23.750 -15.325 1.00 0.00 H ATOM 2613 HB2 GLU B 65 19.953 22.634 -17.440 1.00 0.00 H ATOM 2614 HB3 GLU B 65 18.482 23.558 -17.056 1.00 0.00 H ATOM 2615 HG2 GLU B 65 19.950 25.578 -16.912 1.00 0.00 H ATOM 2616 HG3 GLU B 65 21.234 24.577 -17.629 1.00 0.00 H ATOM 2617 H GLU B 65 18.655 21.650 -15.635 1.00 0.00 H ATOM 2618 N ILE B 66 19.702 25.199 -13.784 1.00 19.72 N ATOM 2619 CA ILE B 66 19.083 25.985 -12.714 1.00 20.44 C ATOM 2620 C ILE B 66 19.293 27.373 -13.216 1.00 25.65 C ATOM 2621 O ILE B 66 20.445 27.816 -13.294 1.00 22.25 O ATOM 2622 CB ILE B 66 19.844 25.768 -11.424 1.00 19.31 C ATOM 2623 CG1 ILE B 66 19.841 24.227 -11.147 1.00 22.73 C ATOM 2624 CG2 ILE B 66 19.265 26.596 -10.305 1.00 15.04 C ATOM 2625 CD1 ILE B 66 20.924 23.885 -10.169 1.00 26.89 C ATOM 2626 HA ILE B 66 18.042 25.740 -12.504 1.00 0.00 H ATOM 2627 HB ILE B 66 20.877 26.107 -11.502 1.00 0.00 H ATOM 2628 HG12 ILE B 66 18.875 23.935 -10.735 1.00 0.00 H ATOM 2629 HG13 ILE B 66 20.013 23.691 -12.080 1.00 0.00 H ATOM 2630 HD11 ILE B 66 21.890 24.176 -10.582 1.00 0.00 H ATOM 2631 HD12 ILE B 66 20.751 24.420 -9.235 1.00 0.00 H ATOM 2632 HD13 ILE B 66 20.916 22.811 -9.981 1.00 0.00 H ATOM 2633 HG21 ILE B 66 19.321 27.652 -10.570 1.00 0.00 H ATOM 2634 HG22 ILE B 66 18.224 26.314 -10.147 1.00 0.00 H ATOM 2635 HG23 ILE B 66 19.833 26.418 -9.392 1.00 0.00 H ATOM 2636 H ILE B 66 20.715 25.346 -13.966 1.00 0.00 H ATOM 2637 N CYS B 67 18.232 28.020 -13.693 1.00 30.30 N ATOM 2638 CA CYS B 67 18.362 29.389 -14.205 1.00 34.25 C ATOM 2639 C CYS B 67 19.456 29.525 -15.259 1.00 33.12 C ATOM 2640 O CYS B 67 20.329 30.404 -15.176 1.00 35.22 O ATOM 2641 CB CYS B 67 18.670 30.355 -13.058 1.00 36.20 C ATOM 2642 SG CYS B 67 17.087 31.127 -12.844 1.00 50.16 S ATOM 2643 HA CYS B 67 17.408 29.634 -14.673 1.00 0.00 H ATOM 2644 HB2 CYS B 67 19.436 31.079 -13.337 1.00 0.00 H ATOM 2645 HB3 CYS B 67 18.983 29.824 -12.159 1.00 0.00 H ATOM 2646 HG CYS B 67 16.148 30.167 -12.524 1.00 0.00 H ATOM 2647 H CYS B 67 17.304 27.552 -13.703 1.00 0.00 H ATOM 2648 N GLY B 68 19.469 28.573 -16.190 1.00 32.08 N ATOM 2649 CA GLY B 68 20.440 28.550 -17.280 1.00 31.51 C ATOM 2650 C GLY B 68 21.832 28.086 -16.870 1.00 32.18 C ATOM 2651 O GLY B 68 22.699 28.138 -17.735 1.00 34.76 O ATOM 2652 HA3 GLY B 68 20.522 29.558 -17.686 1.00 0.00 H ATOM 2653 HA2 GLY B 68 20.070 27.877 -18.053 1.00 0.00 H ATOM 2654 H GLY B 68 18.759 27.815 -16.139 1.00 0.00 H ATOM 2655 N HIS B 69 22.143 27.674 -15.611 1.00 30.76 N ATOM 2656 CA HIS B 69 23.475 27.188 -15.210 1.00 32.64 C ATOM 2657 C HIS B 69 23.329 25.676 -15.011 1.00 30.31 C ATOM 2658 O HIS B 69 22.473 25.255 -14.233 1.00 30.40 O ATOM 2659 CB HIS B 69 23.987 27.741 -13.864 1.00 36.09 C ATOM 2660 CG HIS B 69 24.015 29.253 -13.745 1.00 43.97 C ATOM 2661 ND1 HIS B 69 25.007 30.111 -13.955 1.00 49.57 N ATOM 2662 CD2 HIS B 69 22.904 30.001 -13.441 1.00 49.80 C ATOM 2663 CE1 HIS B 69 24.544 31.344 -13.813 1.00 52.84 C ATOM 2664 NE2 HIS B 69 23.268 31.264 -13.504 1.00 54.09 N ATOM 2665 HA HIS B 69 24.179 27.503 -15.980 1.00 0.00 H ATOM 2666 HB2 HIS B 69 23.342 27.354 -13.075 1.00 0.00 H ATOM 2667 HB3 HIS B 69 25.002 27.374 -13.715 1.00 0.00 H ATOM 2668 HD2 HIS B 69 21.912 29.622 -13.195 1.00 0.00 H ATOM 2669 HE1 HIS B 69 25.119 32.263 -13.931 1.00 0.00 H ATOM 2670 H HIS B 69 21.396 27.704 -14.888 1.00 0.00 H ATOM 2671 N LYS B 70 24.102 24.857 -15.743 1.00 28.66 N ATOM 2672 CA LYS B 70 24.062 23.393 -15.753 1.00 29.19 C ATOM 2673 C LYS B 70 24.806 22.925 -14.535 1.00 27.38 C ATOM 2674 O LYS B 70 25.896 23.398 -14.207 1.00 29.88 O ATOM 2675 CB LYS B 70 24.728 22.849 -17.039 1.00 32.38 C ATOM 2676 CG LYS B 70 23.828 23.141 -18.236 1.00 42.61 C ATOM 2677 CD LYS B 70 23.857 22.176 -19.441 1.00 50.98 C ATOM 2678 CE LYS B 70 22.583 22.258 -20.383 1.00 57.88 C ATOM 2679 NZ LYS B 70 21.300 21.720 -19.876 1.00 60.79 N ATOM 2680 HA LYS B 70 23.034 23.030 -15.738 1.00 0.00 H ATOM 2681 HB2 LYS B 70 25.694 23.334 -17.182 1.00 0.00 H ATOM 2682 HB3 LYS B 70 24.874 21.773 -16.947 1.00 0.00 H ATOM 2683 HG2 LYS B 70 22.802 23.164 -17.868 1.00 0.00 H ATOM 2684 HG3 LYS B 70 24.101 24.128 -18.609 1.00 0.00 H ATOM 2685 HD2 LYS B 70 24.738 22.406 -20.040 1.00 0.00 H ATOM 2686 HD3 LYS B 70 23.933 21.158 -19.060 1.00 0.00 H ATOM 2687 HE2 LYS B 70 22.822 21.715 -21.298 1.00 0.00 H ATOM 2688 HE3 LYS B 70 22.422 23.310 -20.618 1.00 0.00 H ATOM 2689 HZ1 LYS B 70 21.410 20.708 -19.661 1.00 0.00 H ATOM 2690 HZ2 LYS B 70 21.028 22.231 -19.012 1.00 0.00 H ATOM 2691 HZ3 LYS B 70 20.563 21.844 -20.600 1.00 0.00 H ATOM 2692 H LYS B 70 24.801 25.309 -16.367 1.00 0.00 H ATOM 2693 N ALA B 71 24.179 22.033 -13.826 1.00 21.75 N ATOM 2694 CA ALA B 71 24.831 21.470 -12.688 1.00 19.06 C ATOM 2695 C ALA B 71 24.722 19.959 -12.973 1.00 20.89 C ATOM 2696 O ALA B 71 23.821 19.584 -13.736 1.00 20.76 O ATOM 2697 CB ALA B 71 24.057 21.875 -11.456 1.00 16.21 C ATOM 2698 HA ALA B 71 25.861 21.785 -12.523 1.00 0.00 H ATOM 2699 HB1 ALA B 71 24.040 22.962 -11.380 1.00 0.00 H ATOM 2700 HB2 ALA B 71 23.037 21.499 -11.529 1.00 0.00 H ATOM 2701 HB3 ALA B 71 24.538 21.455 -10.572 1.00 0.00 H ATOM 2702 H ALA B 71 23.217 21.734 -14.084 1.00 0.00 H ATOM 2703 N ILE B 72 25.585 19.066 -12.454 1.00 19.22 N ATOM 2704 CA ILE B 72 25.420 17.634 -12.668 1.00 16.43 C ATOM 2705 C ILE B 72 25.679 17.008 -11.318 1.00 14.76 C ATOM 2706 O ILE B 72 26.750 17.144 -10.782 1.00 14.84 O ATOM 2707 CB ILE B 72 26.417 17.073 -13.700 1.00 18.52 C ATOM 2708 CG1 ILE B 72 26.250 17.768 -15.049 1.00 18.16 C ATOM 2709 CG2 ILE B 72 26.175 15.554 -13.786 1.00 17.15 C ATOM 2710 CD1 ILE B 72 27.279 17.438 -16.129 1.00 18.80 C ATOM 2711 HA ILE B 72 24.428 17.417 -13.063 1.00 0.00 H ATOM 2712 HB ILE B 72 27.447 17.261 -13.396 1.00 0.00 H ATOM 2713 HG12 ILE B 72 25.267 17.501 -15.438 1.00 0.00 H ATOM 2714 HG13 ILE B 72 26.290 18.843 -14.873 1.00 0.00 H ATOM 2715 HD11 ILE B 72 28.274 17.712 -15.777 1.00 0.00 H ATOM 2716 HD12 ILE B 72 27.250 16.370 -16.343 1.00 0.00 H ATOM 2717 HD13 ILE B 72 27.045 17.997 -17.035 1.00 0.00 H ATOM 2718 HG21 ILE B 72 26.342 15.105 -12.807 1.00 0.00 H ATOM 2719 HG22 ILE B 72 25.149 15.368 -14.103 1.00 0.00 H ATOM 2720 HG23 ILE B 72 26.864 15.118 -14.509 1.00 0.00 H ATOM 2721 H ILE B 72 26.388 19.406 -11.887 1.00 0.00 H ATOM 2722 N GLY B 73 24.759 16.305 -10.706 1.00 14.05 N ATOM 2723 CA GLY B 73 25.002 15.786 -9.383 1.00 15.41 C ATOM 2724 C GLY B 73 23.873 14.898 -8.975 1.00 14.93 C ATOM 2725 O GLY B 73 23.100 14.454 -9.804 1.00 17.92 O ATOM 2726 HA3 GLY B 73 25.085 16.614 -8.679 1.00 0.00 H ATOM 2727 HA2 GLY B 73 25.931 15.215 -9.382 1.00 0.00 H ATOM 2728 H GLY B 73 23.850 16.120 -11.176 1.00 0.00 H ATOM 2729 N THR B 74 23.844 14.620 -7.706 1.00 15.68 N ATOM 2730 CA THR B 74 22.897 13.758 -7.070 1.00 16.62 C ATOM 2731 C THR B 74 21.607 14.476 -6.857 1.00 17.55 C ATOM 2732 O THR B 74 21.597 15.565 -6.269 1.00 19.93 O ATOM 2733 CB THR B 74 23.464 13.339 -5.754 1.00 17.98 C ATOM 2734 OG1 THR B 74 24.614 12.569 -6.117 1.00 22.44 O ATOM 2735 CG2 THR B 74 22.461 12.648 -4.844 1.00 21.92 C ATOM 2736 HA THR B 74 22.705 12.888 -7.698 1.00 0.00 H ATOM 2737 HB THR B 74 23.743 14.181 -5.120 1.00 0.00 H ATOM 2738 HG1 THR B 74 24.332 11.797 -6.670 1.00 0.00 H ATOM 2739 HG23 THR B 74 21.633 13.326 -4.637 1.00 0.00 H ATOM 2740 HG21 THR B 74 22.084 11.752 -5.336 1.00 0.00 H ATOM 2741 HG22 THR B 74 22.950 12.373 -3.909 1.00 0.00 H ATOM 2742 H THR B 74 24.569 15.060 -7.104 1.00 0.00 H ATOM 2743 N VAL B 75 20.528 13.811 -7.199 1.00 12.14 N ATOM 2744 CA VAL B 75 19.190 14.328 -7.082 1.00 14.62 C ATOM 2745 C VAL B 75 18.414 13.227 -6.376 1.00 17.90 C ATOM 2746 O VAL B 75 18.551 12.043 -6.707 1.00 19.47 O ATOM 2747 CB VAL B 75 18.759 14.565 -8.512 1.00 18.82 C ATOM 2748 CG1 VAL B 75 17.298 14.497 -8.600 1.00 23.12 C ATOM 2749 CG2 VAL B 75 19.154 15.957 -8.986 1.00 20.37 C ATOM 2750 HA VAL B 75 19.056 15.253 -6.520 1.00 0.00 H ATOM 2751 HB VAL B 75 19.243 13.805 -9.126 1.00 0.00 H ATOM 2752 HG11 VAL B 75 16.961 13.512 -8.277 1.00 0.00 H ATOM 2753 HG12 VAL B 75 16.861 15.261 -7.957 1.00 0.00 H ATOM 2754 HG13 VAL B 75 16.989 14.668 -9.631 1.00 0.00 H ATOM 2755 HG21 VAL B 75 18.678 16.704 -8.351 1.00 0.00 H ATOM 2756 HG22 VAL B 75 20.237 16.066 -8.927 1.00 0.00 H ATOM 2757 HG23 VAL B 75 18.829 16.094 -10.017 1.00 0.00 H ATOM 2758 H VAL B 75 20.648 12.850 -7.578 1.00 0.00 H ATOM 2759 N LEU B 76 17.667 13.599 -5.348 1.00 14.36 N ATOM 2760 CA LEU B 76 16.747 12.709 -4.638 1.00 14.76 C ATOM 2761 C LEU B 76 15.322 12.964 -5.173 1.00 17.52 C ATOM 2762 O LEU B 76 14.951 14.092 -5.517 1.00 16.92 O ATOM 2763 CB LEU B 76 16.831 12.976 -3.099 1.00 11.56 C ATOM 2764 CG LEU B 76 18.198 13.105 -2.416 1.00 14.05 C ATOM 2765 CD1 LEU B 76 17.951 13.417 -0.911 1.00 12.92 C ATOM 2766 CD2 LEU B 76 19.028 11.857 -2.604 1.00 13.60 C ATOM 2767 HA LEU B 76 17.014 11.666 -4.806 1.00 0.00 H ATOM 2768 HB2 LEU B 76 16.296 13.907 -2.911 1.00 0.00 H ATOM 2769 HB3 LEU B 76 16.310 12.154 -2.608 1.00 0.00 H ATOM 2770 HG LEU B 76 18.769 13.915 -2.869 1.00 0.00 H ATOM 2771 HD21 LEU B 76 18.504 11.005 -2.172 1.00 0.00 H ATOM 2772 HD22 LEU B 76 19.187 11.685 -3.669 1.00 0.00 H ATOM 2773 HD23 LEU B 76 19.990 11.984 -2.107 1.00 0.00 H ATOM 2774 HD11 LEU B 76 17.393 14.349 -0.821 1.00 0.00 H ATOM 2775 HD12 LEU B 76 17.379 12.605 -0.462 1.00 0.00 H ATOM 2776 HD13 LEU B 76 18.909 13.514 -0.399 1.00 0.00 H ATOM 2777 H LEU B 76 17.738 14.585 -5.025 1.00 0.00 H ATOM 2778 N VAL B 77 14.540 11.927 -5.380 1.00 14.33 N ATOM 2779 CA VAL B 77 13.204 11.985 -5.870 1.00 17.45 C ATOM 2780 C VAL B 77 12.304 11.347 -4.840 1.00 16.56 C ATOM 2781 O VAL B 77 12.538 10.239 -4.388 1.00 16.79 O ATOM 2782 CB VAL B 77 13.068 11.217 -7.196 1.00 19.01 C ATOM 2783 CG1 VAL B 77 11.647 11.165 -7.712 1.00 17.70 C ATOM 2784 CG2 VAL B 77 13.918 11.968 -8.201 1.00 18.56 C ATOM 2785 HA VAL B 77 12.930 13.025 -6.048 1.00 0.00 H ATOM 2786 HB VAL B 77 13.380 10.184 -7.043 1.00 0.00 H ATOM 2787 HG11 VAL B 77 11.013 10.669 -6.977 1.00 0.00 H ATOM 2788 HG12 VAL B 77 11.285 12.179 -7.880 1.00 0.00 H ATOM 2789 HG13 VAL B 77 11.622 10.609 -8.649 1.00 0.00 H ATOM 2790 HG21 VAL B 77 13.549 12.989 -8.296 1.00 0.00 H ATOM 2791 HG22 VAL B 77 14.953 11.985 -7.859 1.00 0.00 H ATOM 2792 HG23 VAL B 77 13.862 11.468 -9.168 1.00 0.00 H ATOM 2793 H VAL B 77 14.930 10.986 -5.168 1.00 0.00 H ATOM 2794 N GLY B 78 11.241 11.990 -4.430 1.00 16.33 N ATOM 2795 CA GLY B 78 10.316 11.318 -3.547 1.00 18.04 C ATOM 2796 C GLY B 78 9.176 12.258 -3.255 1.00 19.46 C ATOM 2797 O GLY B 78 8.946 13.142 -4.075 1.00 17.85 O ATOM 2798 HA3 GLY B 78 10.820 11.050 -2.619 1.00 0.00 H ATOM 2799 HA2 GLY B 78 9.937 10.416 -4.027 1.00 0.00 H ATOM 2800 H GLY B 78 11.065 12.969 -4.735 1.00 0.00 H ATOM 2801 N PRO B 79 8.430 12.129 -2.186 1.00 19.01 N ATOM 2802 CA PRO B 79 7.179 12.835 -2.026 1.00 22.30 C ATOM 2803 C PRO B 79 7.271 14.209 -1.369 1.00 24.54 C ATOM 2804 O PRO B 79 6.641 14.581 -0.359 1.00 27.39 O ATOM 2805 CB PRO B 79 6.317 11.828 -1.290 1.00 24.58 C ATOM 2806 CG PRO B 79 7.271 11.100 -0.387 1.00 23.72 C ATOM 2807 CD PRO B 79 8.468 10.953 -1.332 1.00 20.39 C ATOM 2808 HA PRO B 79 6.754 13.135 -2.984 1.00 0.00 H ATOM 2809 HD3 PRO B 79 9.399 10.921 -0.767 1.00 0.00 H ATOM 2810 HD2 PRO B 79 8.375 10.045 -1.928 1.00 0.00 H ATOM 2811 HG3 PRO B 79 6.877 10.132 -0.078 1.00 0.00 H ATOM 2812 HG2 PRO B 79 7.522 11.688 0.496 1.00 0.00 H ATOM 2813 HB2 PRO B 79 5.546 12.333 -0.708 1.00 0.00 H ATOM 2814 HB3 PRO B 79 5.848 11.138 -1.991 1.00 0.00 H ATOM 2815 N THR B 80 8.004 15.066 -2.066 1.00 21.60 N ATOM 2816 CA THR B 80 8.125 16.415 -1.633 1.00 20.37 C ATOM 2817 C THR B 80 7.073 17.107 -2.501 1.00 20.42 C ATOM 2818 O THR B 80 6.796 16.790 -3.676 1.00 22.18 O ATOM 2819 CB THR B 80 9.522 16.934 -1.904 1.00 17.76 C ATOM 2820 OG1 THR B 80 9.352 18.271 -1.478 1.00 18.38 O ATOM 2821 CG2 THR B 80 10.030 16.885 -3.330 1.00 12.11 C ATOM 2822 HA THR B 80 7.973 16.571 -0.565 1.00 0.00 H ATOM 2823 HB THR B 80 10.278 16.323 -1.411 1.00 0.00 H ATOM 2824 HG1 THR B 80 10.203 18.764 -1.594 1.00 0.00 H ATOM 2825 HG23 THR B 80 10.153 15.846 -3.635 1.00 0.00 H ATOM 2826 HG21 THR B 80 9.312 17.375 -3.987 1.00 0.00 H ATOM 2827 HG22 THR B 80 10.990 17.399 -3.390 1.00 0.00 H ATOM 2828 H THR B 80 8.491 14.752 -2.930 1.00 0.00 H ATOM 2829 N PRO B 81 6.394 18.059 -1.876 1.00 20.83 N ATOM 2830 CA PRO B 81 5.479 18.932 -2.572 1.00 19.50 C ATOM 2831 C PRO B 81 6.080 20.126 -3.277 1.00 20.08 C ATOM 2832 O PRO B 81 5.313 20.850 -3.900 1.00 24.22 O ATOM 2833 CB PRO B 81 4.550 19.325 -1.536 1.00 19.99 C ATOM 2834 CG PRO B 81 5.412 19.381 -0.320 1.00 20.57 C ATOM 2835 CD PRO B 81 6.393 18.251 -0.436 1.00 19.11 C ATOM 2836 HA PRO B 81 5.031 18.406 -3.415 1.00 0.00 H ATOM 2837 HD3 PRO B 81 7.379 18.532 -0.065 1.00 0.00 H ATOM 2838 HD2 PRO B 81 6.048 17.361 0.090 1.00 0.00 H ATOM 2839 HG3 PRO B 81 4.805 19.262 0.577 1.00 0.00 H ATOM 2840 HG2 PRO B 81 5.939 20.334 -0.276 1.00 0.00 H ATOM 2841 HB2 PRO B 81 4.111 20.299 -1.751 1.00 0.00 H ATOM 2842 HB3 PRO B 81 3.756 18.588 -1.421 1.00 0.00 H ATOM 2843 N VAL B 82 7.388 20.399 -3.221 1.00 19.22 N ATOM 2844 CA VAL B 82 8.034 21.544 -3.880 1.00 18.07 C ATOM 2845 C VAL B 82 9.350 20.963 -4.341 1.00 13.82 C ATOM 2846 O VAL B 82 9.934 20.191 -3.604 1.00 12.62 O ATOM 2847 CB VAL B 82 8.582 22.756 -3.047 1.00 22.42 C ATOM 2848 CG1 VAL B 82 8.109 24.070 -3.690 1.00 26.57 C ATOM 2849 CG2 VAL B 82 8.357 22.487 -1.613 1.00 18.61 C ATOM 2850 HA VAL B 82 7.262 21.930 -4.546 1.00 0.00 H ATOM 2851 HB VAL B 82 9.663 22.889 -3.077 1.00 0.00 H ATOM 2852 HG11 VAL B 82 8.485 24.129 -4.712 1.00 0.00 H ATOM 2853 HG12 VAL B 82 7.019 24.096 -3.700 1.00 0.00 H ATOM 2854 HG13 VAL B 82 8.489 24.913 -3.113 1.00 0.00 H ATOM 2855 HG21 VAL B 82 7.289 22.365 -1.431 1.00 0.00 H ATOM 2856 HG22 VAL B 82 8.882 21.575 -1.329 1.00 0.00 H ATOM 2857 HG23 VAL B 82 8.734 23.323 -1.024 1.00 0.00 H ATOM 2858 H VAL B 82 7.992 19.755 -2.672 1.00 0.00 H ATOM 2859 N ASN B 83 9.947 21.359 -5.468 1.00 13.37 N ATOM 2860 CA ASN B 83 11.243 20.905 -5.886 1.00 14.61 C ATOM 2861 C ASN B 83 12.160 21.809 -5.113 1.00 15.85 C ATOM 2862 O ASN B 83 11.894 23.014 -5.069 1.00 18.21 O ATOM 2863 CB ASN B 83 11.429 21.125 -7.386 1.00 15.42 C ATOM 2864 CG ASN B 83 10.475 20.229 -8.155 1.00 19.60 C ATOM 2865 OD1 ASN B 83 10.417 19.000 -7.964 1.00 17.68 O ATOM 2866 ND2 ASN B 83 9.650 20.831 -9.001 1.00 17.68 N ATOM 2867 HA ASN B 83 11.413 19.843 -5.710 1.00 0.00 H ATOM 2868 HB2 ASN B 83 11.223 22.168 -7.628 1.00 0.00 H ATOM 2869 HB3 ASN B 83 12.455 20.885 -7.663 1.00 0.00 H ATOM 2870 HD22 ASN B 83 9.714 21.859 -9.147 1.00 0.00 H ATOM 2871 HD21 ASN B 83 8.939 20.275 -9.518 1.00 0.00 H ATOM 2872 H ASN B 83 9.444 22.035 -6.078 1.00 0.00 H ATOM 2873 N ILE B 84 13.187 21.307 -4.462 1.00 15.08 N ATOM 2874 CA ILE B 84 14.109 22.054 -3.653 1.00 14.46 C ATOM 2875 C ILE B 84 15.504 21.848 -4.205 1.00 17.20 C ATOM 2876 O ILE B 84 15.969 20.671 -4.252 1.00 17.10 O ATOM 2877 CB ILE B 84 13.937 21.477 -2.250 1.00 17.69 C ATOM 2878 CG1 ILE B 84 12.602 21.870 -1.617 1.00 13.17 C ATOM 2879 CG2 ILE B 84 15.112 21.931 -1.447 1.00 18.50 C ATOM 2880 CD1 ILE B 84 12.305 20.802 -0.570 1.00 14.66 C ATOM 2881 HA ILE B 84 13.936 23.130 -3.644 1.00 0.00 H ATOM 2882 HB ILE B 84 13.907 20.388 -2.288 1.00 0.00 H ATOM 2883 HG12 ILE B 84 12.679 22.851 -1.147 1.00 0.00 H ATOM 2884 HG13 ILE B 84 11.816 21.891 -2.372 1.00 0.00 H ATOM 2885 HD11 ILE B 84 12.241 19.828 -1.055 1.00 0.00 H ATOM 2886 HD12 ILE B 84 13.105 20.789 0.171 1.00 0.00 H ATOM 2887 HD13 ILE B 84 11.358 21.029 -0.080 1.00 0.00 H ATOM 2888 HG21 ILE B 84 16.029 21.563 -1.907 1.00 0.00 H ATOM 2889 HG22 ILE B 84 15.131 23.020 -1.417 1.00 0.00 H ATOM 2890 HG23 ILE B 84 15.030 21.540 -0.433 1.00 0.00 H ATOM 2891 H ILE B 84 13.345 20.282 -4.540 1.00 0.00 H ATOM 2892 N ILE B 85 16.214 22.938 -4.584 1.00 14.04 N ATOM 2893 CA ILE B 85 17.600 22.810 -4.979 1.00 12.31 C ATOM 2894 C ILE B 85 18.415 22.986 -3.692 1.00 14.92 C ATOM 2895 O ILE B 85 18.309 24.026 -3.065 1.00 18.82 O ATOM 2896 CB ILE B 85 17.960 23.874 -6.051 1.00 14.46 C ATOM 2897 CG1 ILE B 85 17.066 23.726 -7.314 1.00 14.70 C ATOM 2898 CG2 ILE B 85 19.430 23.705 -6.414 1.00 8.51 C ATOM 2899 CD1 ILE B 85 16.962 22.303 -7.963 1.00 15.15 C ATOM 2900 HA ILE B 85 17.812 21.844 -5.438 1.00 0.00 H ATOM 2901 HB ILE B 85 17.783 24.871 -5.648 1.00 0.00 H ATOM 2902 HG12 ILE B 85 16.057 24.034 -7.039 1.00 0.00 H ATOM 2903 HG13 ILE B 85 17.457 24.404 -8.073 1.00 0.00 H ATOM 2904 HD11 ILE B 85 17.954 21.972 -8.270 1.00 0.00 H ATOM 2905 HD12 ILE B 85 16.553 21.602 -7.235 1.00 0.00 H ATOM 2906 HD13 ILE B 85 16.307 22.349 -8.833 1.00 0.00 H ATOM 2907 HG21 ILE B 85 20.042 23.848 -5.523 1.00 0.00 H ATOM 2908 HG22 ILE B 85 19.592 22.703 -6.811 1.00 0.00 H ATOM 2909 HG23 ILE B 85 19.704 24.444 -7.167 1.00 0.00 H ATOM 2910 H ILE B 85 15.759 23.873 -4.591 1.00 0.00 H ATOM 2911 N GLY B 86 19.216 22.037 -3.206 1.00 11.89 N ATOM 2912 CA GLY B 86 19.867 22.194 -1.941 1.00 8.85 C ATOM 2913 C GLY B 86 21.307 22.463 -2.167 1.00 7.26 C ATOM 2914 O GLY B 86 21.766 22.658 -3.287 1.00 10.87 O ATOM 2915 HA3 GLY B 86 19.753 21.281 -1.356 1.00 0.00 H ATOM 2916 HA2 GLY B 86 19.420 23.029 -1.401 1.00 0.00 H ATOM 2917 H GLY B 86 19.370 21.168 -3.756 1.00 0.00 H ATOM 2918 N ARG B 87 22.094 22.441 -1.123 1.00 8.13 N ATOM 2919 CA ARG B 87 23.471 22.849 -1.184 1.00 7.97 C ATOM 2920 C ARG B 87 24.357 22.126 -2.108 1.00 13.47 C ATOM 2921 O ARG B 87 25.313 22.674 -2.657 1.00 14.35 O ATOM 2922 CB ARG B 87 24.019 22.772 0.180 1.00 10.47 C ATOM 2923 CG ARG B 87 23.342 23.805 1.090 1.00 7.36 C ATOM 2924 CD ARG B 87 24.030 23.876 2.404 1.00 10.64 C ATOM 2925 NE ARG B 87 24.067 22.617 3.134 1.00 12.84 N ATOM 2926 CZ ARG B 87 25.104 21.753 3.199 1.00 15.69 C ATOM 2927 NH1 ARG B 87 26.263 21.911 2.601 1.00 11.72 N ATOM 2928 NH2 ARG B 87 24.995 20.653 3.902 1.00 16.99 N ATOM 2929 HA ARG B 87 23.450 23.857 -1.599 1.00 0.00 H ATOM 2930 HB2 ARG B 87 23.846 21.773 0.580 1.00 0.00 H ATOM 2931 HB3 ARG B 87 25.091 22.969 0.148 1.00 0.00 H ATOM 2932 HG2 ARG B 87 23.381 24.784 0.612 1.00 0.00 H ATOM 2933 HG3 ARG B 87 22.302 23.519 1.245 1.00 0.00 H ATOM 2934 HD2 ARG B 87 23.513 24.612 3.020 1.00 0.00 H ATOM 2935 HD3 ARG B 87 25.056 24.202 2.234 1.00 0.00 H ATOM 2936 HE ARG B 87 23.208 22.356 3.659 1.00 0.00 H ATOM 2937 HH12 ARG B 87 27.006 21.191 2.708 1.00 0.00 H ATOM 2938 HH11 ARG B 87 26.438 22.756 2.021 1.00 0.00 H ATOM 2939 HH22 ARG B 87 25.792 19.987 3.953 1.00 0.00 H ATOM 2940 HH21 ARG B 87 24.111 20.445 4.409 1.00 0.00 H ATOM 2941 H ARG B 87 21.709 22.116 -0.213 1.00 0.00 H ATOM 2942 N ASN B 88 24.077 20.876 -2.361 1.00 15.20 N ATOM 2943 CA ASN B 88 24.961 20.126 -3.261 1.00 15.22 C ATOM 2944 C ASN B 88 24.997 20.751 -4.664 1.00 13.14 C ATOM 2945 O ASN B 88 26.044 20.725 -5.306 1.00 16.96 O ATOM 2946 CB ASN B 88 24.485 18.627 -3.338 1.00 16.69 C ATOM 2947 CG ASN B 88 23.188 18.358 -4.078 1.00 11.75 C ATOM 2948 OD1 ASN B 88 22.140 18.921 -3.781 1.00 13.25 O ATOM 2949 ND2 ASN B 88 23.213 17.497 -5.082 1.00 14.49 N ATOM 2950 HA ASN B 88 25.974 20.165 -2.860 1.00 0.00 H ATOM 2951 HB2 ASN B 88 25.271 18.056 -3.832 1.00 0.00 H ATOM 2952 HB3 ASN B 88 24.363 18.267 -2.317 1.00 0.00 H ATOM 2953 HD22 ASN B 88 24.101 17.019 -5.335 1.00 0.00 H ATOM 2954 HD21 ASN B 88 22.344 17.298 -5.618 1.00 0.00 H ATOM 2955 H ASN B 88 23.245 20.421 -1.934 1.00 0.00 H ATOM 2956 N LEU B 89 23.885 21.278 -5.204 1.00 12.48 N ATOM 2957 CA LEU B 89 23.879 21.875 -6.515 1.00 11.06 C ATOM 2958 C LEU B 89 24.036 23.351 -6.461 1.00 13.27 C ATOM 2959 O LEU B 89 24.578 23.921 -7.391 1.00 13.94 O ATOM 2960 CB LEU B 89 22.639 21.517 -7.204 1.00 10.70 C ATOM 2961 CG LEU B 89 22.540 19.978 -7.501 1.00 13.72 C ATOM 2962 CD1 LEU B 89 21.313 19.761 -8.353 1.00 15.90 C ATOM 2963 CD2 LEU B 89 23.694 19.419 -8.290 1.00 15.11 C ATOM 2964 HA LEU B 89 24.735 21.487 -7.067 1.00 0.00 H ATOM 2965 HB2 LEU B 89 21.795 21.808 -6.579 1.00 0.00 H ATOM 2966 HB3 LEU B 89 22.594 22.059 -8.148 1.00 0.00 H ATOM 2967 HG LEU B 89 22.522 19.478 -6.533 1.00 0.00 H ATOM 2968 HD21 LEU B 89 23.753 19.925 -9.253 1.00 0.00 H ATOM 2969 HD22 LEU B 89 24.620 19.577 -7.738 1.00 0.00 H ATOM 2970 HD23 LEU B 89 23.541 18.351 -8.448 1.00 0.00 H ATOM 2971 HD11 LEU B 89 20.431 20.103 -7.812 1.00 0.00 H ATOM 2972 HD12 LEU B 89 21.412 20.324 -9.281 1.00 0.00 H ATOM 2973 HD13 LEU B 89 21.212 18.700 -8.579 1.00 0.00 H ATOM 2974 H LEU B 89 23.000 21.254 -4.658 1.00 0.00 H ATOM 2975 N LEU B 90 23.685 23.937 -5.334 1.00 14.14 N ATOM 2976 CA LEU B 90 23.936 25.352 -5.156 1.00 15.93 C ATOM 2977 C LEU B 90 25.431 25.591 -5.110 1.00 17.48 C ATOM 2978 O LEU B 90 25.880 26.579 -5.706 1.00 17.13 O ATOM 2979 CB LEU B 90 23.272 25.905 -3.873 1.00 16.18 C ATOM 2980 CG LEU B 90 21.726 25.877 -3.707 1.00 17.42 C ATOM 2981 CD1 LEU B 90 21.363 26.263 -2.256 1.00 11.90 C ATOM 2982 CD2 LEU B 90 21.067 26.743 -4.788 1.00 15.65 C ATOM 2983 HA LEU B 90 23.495 25.881 -6.001 1.00 0.00 H ATOM 2984 HB2 LEU B 90 23.686 25.339 -3.038 1.00 0.00 H ATOM 2985 HB3 LEU B 90 23.576 26.948 -3.789 1.00 0.00 H ATOM 2986 HG LEU B 90 21.329 24.874 -3.861 1.00 0.00 H ATOM 2987 HD21 LEU B 90 21.420 27.770 -4.694 1.00 0.00 H ATOM 2988 HD22 LEU B 90 21.330 26.356 -5.772 1.00 0.00 H ATOM 2989 HD23 LEU B 90 19.985 26.717 -4.663 1.00 0.00 H ATOM 2990 HD11 LEU B 90 21.818 25.551 -1.567 1.00 0.00 H ATOM 2991 HD12 LEU B 90 21.736 27.265 -2.044 1.00 0.00 H ATOM 2992 HD13 LEU B 90 20.280 26.244 -2.137 1.00 0.00 H ATOM 2993 H LEU B 90 23.231 23.387 -4.577 1.00 0.00 H ATOM 2994 N THR B 91 26.328 24.764 -4.567 1.00 19.37 N ATOM 2995 CA THR B 91 27.726 25.115 -4.633 1.00 19.36 C ATOM 2996 C THR B 91 28.275 24.984 -6.020 1.00 17.67 C ATOM 2997 O THR B 91 29.163 25.775 -6.402 1.00 17.05 O ATOM 2998 CB THR B 91 28.566 24.254 -3.678 1.00 21.44 C ATOM 2999 OG1 THR B 91 28.758 22.987 -4.238 1.00 32.35 O ATOM 3000 CG2 THR B 91 27.840 24.006 -2.405 1.00 15.28 C ATOM 3001 HA THR B 91 27.791 26.160 -4.330 1.00 0.00 H ATOM 3002 HB THR B 91 29.501 24.787 -3.505 1.00 0.00 H ATOM 3003 HG1 THR B 91 29.300 22.433 -3.621 1.00 0.00 H ATOM 3004 HG23 THR B 91 27.652 24.956 -1.905 1.00 0.00 H ATOM 3005 HG21 THR B 91 26.892 23.512 -2.619 1.00 0.00 H ATOM 3006 HG22 THR B 91 28.446 23.369 -1.761 1.00 0.00 H ATOM 3007 H THR B 91 26.024 23.883 -4.105 1.00 0.00 H ATOM 3008 N GLN B 92 27.749 24.022 -6.800 1.00 16.27 N ATOM 3009 CA GLN B 92 28.254 23.851 -8.144 1.00 17.85 C ATOM 3010 C GLN B 92 28.113 25.028 -9.031 1.00 17.56 C ATOM 3011 O GLN B 92 29.064 25.367 -9.723 1.00 21.92 O ATOM 3012 CB GLN B 92 27.603 22.784 -8.959 1.00 18.74 C ATOM 3013 CG GLN B 92 27.925 21.415 -8.431 1.00 17.43 C ATOM 3014 CD GLN B 92 27.535 20.373 -9.464 1.00 22.56 C ATOM 3015 OE1 GLN B 92 27.358 20.610 -10.667 1.00 20.49 O ATOM 3016 NE2 GLN B 92 27.449 19.137 -8.988 1.00 23.21 N ATOM 3017 HA GLN B 92 29.288 23.618 -7.891 1.00 0.00 H ATOM 3018 HB2 GLN B 92 26.523 22.928 -8.935 1.00 0.00 H ATOM 3019 HB3 GLN B 92 27.955 22.859 -9.988 1.00 0.00 H ATOM 3020 HG2 GLN B 92 28.994 21.345 -8.228 1.00 0.00 H ATOM 3021 HG3 GLN B 92 27.370 21.240 -7.510 1.00 0.00 H ATOM 3022 HE22 GLN B 92 27.601 18.958 -7.975 1.00 0.00 H ATOM 3023 HE21 GLN B 92 27.230 18.347 -9.628 1.00 0.00 H ATOM 3024 H GLN B 92 26.989 23.409 -6.441 1.00 0.00 H ATOM 3025 N ILE B 93 26.939 25.677 -8.944 1.00 19.07 N ATOM 3026 CA ILE B 93 26.674 26.860 -9.760 1.00 19.04 C ATOM 3027 C ILE B 93 27.277 28.096 -9.081 1.00 21.52 C ATOM 3028 O ILE B 93 27.114 29.193 -9.588 1.00 24.02 O ATOM 3029 CB ILE B 93 25.134 27.069 -10.055 1.00 16.30 C ATOM 3030 CG1 ILE B 93 24.309 27.454 -8.883 1.00 18.11 C ATOM 3031 CG2 ILE B 93 24.597 25.756 -10.634 1.00 13.87 C ATOM 3032 CD1 ILE B 93 22.960 27.861 -9.518 1.00 20.24 C ATOM 3033 HA ILE B 93 27.149 26.707 -10.729 1.00 0.00 H ATOM 3034 HB ILE B 93 25.057 27.910 -10.744 1.00 0.00 H ATOM 3035 HG12 ILE B 93 24.182 26.613 -8.201 1.00 0.00 H ATOM 3036 HG13 ILE B 93 24.757 28.291 -8.347 1.00 0.00 H ATOM 3037 HD11 ILE B 93 23.120 28.691 -10.207 1.00 0.00 H ATOM 3038 HD12 ILE B 93 22.544 27.012 -10.060 1.00 0.00 H ATOM 3039 HD13 ILE B 93 22.268 28.167 -8.733 1.00 0.00 H ATOM 3040 HG21 ILE B 93 25.134 25.519 -11.553 1.00 0.00 H ATOM 3041 HG22 ILE B 93 24.742 24.955 -9.910 1.00 0.00 H ATOM 3042 HG23 ILE B 93 23.534 25.864 -10.850 1.00 0.00 H ATOM 3043 H ILE B 93 26.210 25.333 -8.287 1.00 0.00 H ATOM 3044 N GLY B 94 28.021 27.996 -7.972 1.00 23.69 N ATOM 3045 CA GLY B 94 28.685 29.104 -7.312 1.00 20.49 C ATOM 3046 C GLY B 94 27.816 29.997 -6.459 1.00 23.08 C ATOM 3047 O GLY B 94 28.292 31.088 -6.147 1.00 25.20 O ATOM 3048 HA3 GLY B 94 29.142 29.724 -8.083 1.00 0.00 H ATOM 3049 HA2 GLY B 94 29.464 28.690 -6.672 1.00 0.00 H ATOM 3050 H GLY B 94 28.131 27.051 -7.552 1.00 0.00 H ATOM 3051 N CYS B 95 26.650 29.566 -5.979 1.00 20.12 N ATOM 3052 CA CYS B 95 25.769 30.385 -5.185 1.00 20.37 C ATOM 3053 C CYS B 95 26.255 30.625 -3.770 1.00 20.10 C ATOM 3054 O CYS B 95 26.800 29.715 -3.143 1.00 21.98 O ATOM 3055 CB CYS B 95 24.425 29.703 -5.215 1.00 15.91 C ATOM 3056 SG CYS B 95 23.005 30.554 -4.478 1.00 23.80 S ATOM 3057 HA CYS B 95 25.722 31.389 -5.608 1.00 0.00 H ATOM 3058 HB2 CYS B 95 24.535 28.751 -4.695 1.00 0.00 H ATOM 3059 HB3 CYS B 95 24.182 29.518 -6.261 1.00 0.00 H ATOM 3060 HG CYS B 95 21.880 29.766 -4.609 1.00 0.00 H ATOM 3061 H CYS B 95 26.361 28.589 -6.188 1.00 0.00 H ATOM 3062 N THR B 96 26.170 31.853 -3.237 1.00 19.66 N ATOM 3063 CA THR B 96 26.549 32.160 -1.882 1.00 20.22 C ATOM 3064 C THR B 96 25.464 33.016 -1.265 1.00 17.71 C ATOM 3065 O THR B 96 24.606 33.542 -1.983 1.00 17.84 O ATOM 3066 CB THR B 96 27.912 32.955 -1.769 1.00 21.83 C ATOM 3067 OG1 THR B 96 27.860 34.107 -2.639 1.00 24.19 O ATOM 3068 CG2 THR B 96 29.133 32.127 -2.178 1.00 24.49 C ATOM 3069 HA THR B 96 26.681 31.208 -1.368 1.00 0.00 H ATOM 3070 HB THR B 96 28.024 33.229 -0.720 1.00 0.00 H ATOM 3071 HG1 THR B 96 27.724 33.808 -3.573 1.00 0.00 H ATOM 3072 HG23 THR B 96 29.203 31.246 -1.540 1.00 0.00 H ATOM 3073 HG21 THR B 96 29.028 31.816 -3.218 1.00 0.00 H ATOM 3074 HG22 THR B 96 30.034 32.731 -2.067 1.00 0.00 H ATOM 3075 H THR B 96 25.811 32.625 -3.834 1.00 0.00 H ATOM 3076 N LEU B 97 25.508 33.115 0.068 1.00 17.86 N ATOM 3077 CA LEU B 97 24.663 34.004 0.882 1.00 19.51 C ATOM 3078 C LEU B 97 25.517 35.193 1.266 1.00 17.79 C ATOM 3079 O LEU B 97 26.658 35.085 1.683 1.00 19.84 O ATOM 3080 CB LEU B 97 24.216 33.384 2.199 1.00 21.08 C ATOM 3081 CG LEU B 97 23.157 32.345 2.236 1.00 19.59 C ATOM 3082 CD1 LEU B 97 23.000 31.731 3.586 1.00 21.25 C ATOM 3083 CD2 LEU B 97 21.890 33.052 1.883 1.00 21.60 C ATOM 3084 HA LEU B 97 23.779 34.240 0.290 1.00 0.00 H ATOM 3085 HB2 LEU B 97 25.103 32.938 2.648 1.00 0.00 H ATOM 3086 HB3 LEU B 97 23.867 34.205 2.825 1.00 0.00 H ATOM 3087 HG LEU B 97 23.412 31.536 1.552 1.00 0.00 H ATOM 3088 HD21 LEU B 97 21.700 33.840 2.612 1.00 0.00 H ATOM 3089 HD22 LEU B 97 21.984 33.489 0.889 1.00 0.00 H ATOM 3090 HD23 LEU B 97 21.064 32.341 1.892 1.00 0.00 H ATOM 3091 HD11 LEU B 97 23.939 31.263 3.882 1.00 0.00 H ATOM 3092 HD12 LEU B 97 22.735 32.504 4.307 1.00 0.00 H ATOM 3093 HD13 LEU B 97 22.212 30.979 3.552 1.00 0.00 H ATOM 3094 H LEU B 97 26.194 32.516 0.570 1.00 0.00 H ATOM 3095 N ASN B 98 24.983 36.372 1.091 1.00 20.22 N ATOM 3096 CA ASN B 98 25.769 37.569 1.334 1.00 21.37 C ATOM 3097 C ASN B 98 25.023 38.472 2.219 1.00 20.88 C ATOM 3098 O ASN B 98 23.822 38.601 2.035 1.00 19.74 O ATOM 3099 CB ASN B 98 25.998 38.328 0.081 1.00 20.56 C ATOM 3100 CG ASN B 98 26.962 37.510 -0.735 1.00 24.48 C ATOM 3101 OD1 ASN B 98 28.138 37.764 -0.808 1.00 29.13 O ATOM 3102 ND2 ASN B 98 26.525 36.451 -1.373 1.00 17.49 N ATOM 3103 HA ASN B 98 26.716 37.248 1.768 1.00 0.00 H ATOM 3104 HB2 ASN B 98 25.060 38.458 -0.459 1.00 0.00 H ATOM 3105 HB3 ASN B 98 26.426 39.306 0.304 1.00 0.00 H ATOM 3106 HD22 ASN B 98 25.517 36.200 -1.334 1.00 0.00 H ATOM 3107 HD21 ASN B 98 27.187 35.863 -1.918 1.00 0.00 H ATOM 3108 H ASN B 98 23.995 36.454 0.778 1.00 0.00 H ATOM 3109 N PHE B 99 25.671 38.993 3.219 1.00 25.69 N ATOM 3110 CA PHE B 99 25.068 40.048 4.028 1.00 26.93 C ATOM 3111 C PHE B 99 26.192 40.847 4.666 1.00 29.26 C ATOM 3112 O PHE B 99 25.929 41.665 5.512 1.00 31.62 O ATOM 3113 CB PHE B 99 24.143 39.499 5.136 1.00 23.95 C ATOM 3114 CG PHE B 99 24.696 38.603 6.206 1.00 24.48 C ATOM 3115 CD1 PHE B 99 24.760 37.261 5.951 1.00 22.73 C ATOM 3116 CD2 PHE B 99 25.028 39.105 7.455 1.00 24.84 C ATOM 3117 CE1 PHE B 99 25.142 36.424 6.982 1.00 25.64 C ATOM 3118 CE2 PHE B 99 25.411 38.252 8.481 1.00 27.55 C ATOM 3119 CZ PHE B 99 25.465 36.890 8.247 1.00 26.52 C ATOM 3120 HA PHE B 99 24.449 40.665 3.376 1.00 0.00 H ATOM 3121 OXT PHE B 99 27.366 40.623 4.383 1.00 33.49 O ATOM 3122 HB2 PHE B 99 23.712 40.363 5.642 1.00 0.00 H ATOM 3123 HB3 PHE B 99 23.352 38.940 4.636 1.00 0.00 H ATOM 3124 HD2 PHE B 99 24.988 40.180 7.633 1.00 0.00 H ATOM 3125 HE2 PHE B 99 25.667 38.652 9.462 1.00 0.00 H ATOM 3126 HZ PHE B 99 25.755 36.199 9.039 1.00 0.00 H ATOM 3127 HE1 PHE B 99 25.191 35.352 6.793 1.00 0.00 H ATOM 3128 HD1 PHE B 99 24.517 36.864 4.965 1.00 0.00 H ATOM 3129 H PHE B 99 26.628 38.655 3.445 1.00 0.00 H TER 3130 PHE B 99 HETATM 3131 O HOH 1 8.272 38.594 10.899 1.00 16.71 O HETATM 3132 O HOH 2 9.545 28.751 1.862 1.00 19.65 O HETATM 3133 O HOH 3 11.185 30.425 0.768 1.00 18.18 O HETATM 3134 O HOH 4 8.653 33.399 11.919 1.00 17.16 O HETATM 3135 O HOH 5 17.089 42.320 2.448 1.00 20.96 O HETATM 3136 O HOH 6 12.589 21.137 20.935 1.00 30.84 O HETATM 3137 O HOH 7 0.851 16.536 9.055 1.00 26.33 O HETATM 3138 O HOH 8 3.103 25.893 6.790 1.00 24.10 O HETATM 3139 O HOH 9 27.942 20.984 7.231 1.00 24.76 O HETATM 3140 O HOH 10 10.218 39.761 5.274 1.00 25.07 O HETATM 3141 O HOH 11 4.003 29.992 5.546 1.00 30.24 O HETATM 3142 O HOH 12 27.602 20.960 -0.572 1.00 27.46 O HETATM 3143 O HOH 13 34.156 27.926 1.402 1.00 31.86 O HETATM 3144 O HOH 14 28.261 27.540 5.059 1.00 24.50 O HETATM 3145 O HOH 15 23.721 41.302 0.080 1.00 31.53 O HETATM 3146 O HOH 16 30.826 26.458 3.484 1.00 31.72 O HETATM 3147 O HOH 17 8.395 35.142 5.138 1.00 30.28 O HETATM 3148 O HOH 18 3.747 18.874 16.877 1.00 30.20 O HETATM 3149 O HOH 19 5.483 28.262 6.631 1.00 24.31 O HETATM 3150 O HOH 20 28.001 33.559 13.375 1.00 45.56 O HETATM 3151 O HOH 21 12.858 40.878 21.912 1.00 52.96 O HETATM 3152 O HOH 22 -4.251 31.040 16.746 1.00 44.80 O HETATM 3153 O HOH 23 18.223 39.480 21.903 1.00 50.10 O HETATM 3154 O HOH 24 16.565 45.570 10.871 1.00 49.62 O HETATM 3155 O HOH 25 29.261 24.893 9.327 1.00 58.37 O HETATM 3156 O HOH 26 20.609 24.360 15.138 1.00 50.11 O HETATM 3157 O HOH 27 2.241 36.256 19.438 1.00 38.25 O HETATM 3158 O HOH 28 22.353 26.039 19.445 1.00 37.47 O HETATM 3159 O HOH 29 31.713 30.087 3.874 1.00 43.99 O HETATM 3160 O HOH 30 21.993 44.387 8.531 1.00 54.21 O HETATM 3161 O HOH 31 7.480 20.544 22.426 1.00 55.27 O HETATM 3162 O HOH 32 5.425 38.658 21.696 1.00 46.91 O HETATM 3163 O HOH 33 1.603 40.596 19.269 1.00 60.54 O HETATM 3164 O HOH 34 20.475 46.028 6.965 1.00 20.00 O HETATM 3165 O HOH 35 -1.478 32.326 14.689 1.00 20.00 O HETATM 3166 O HOH 36 33.968 33.007 -0.466 1.00 20.00 O HETATM 3167 O HOH 37 28.676 37.306 -4.562 1.00 20.00 O HETATM 3168 O HOH 38 15.446 38.392 22.190 1.00 20.00 O HETATM 3169 O HOH 39 33.585 32.949 2.406 1.00 20.00 O HETATM 3170 O HOH 40 12.913 17.324 16.587 1.00 20.00 O HETATM 3171 O HOH 41 23.152 45.834 15.537 1.00 20.00 O HETATM 3172 O HOH 42 5.929 36.518 9.222 1.00 20.00 O HETATM 3173 O HOH 43 10.725 20.624 5.870 1.00 12.67 O HETATM 3174 O HOH 44 21.776 23.154 4.776 1.00 17.14 O HETATM 3175 O HOH 45 25.894 16.239 -6.045 1.00 16.22 O HETATM 3176 O HOH 46 29.166 16.019 -11.653 1.00 22.58 O HETATM 3177 O HOH 47 21.025 15.597 -3.790 1.00 18.73 O HETATM 3178 O HOH 48 28.998 28.133 -2.313 1.00 23.81 O HETATM 3179 O HOH 49 16.513 44.700 -0.204 1.00 25.39 O HETATM 3180 O HOH 50 26.148 12.286 -8.352 1.00 25.00 O HETATM 3181 O HOH 51 7.881 23.062 -7.137 1.00 30.19 O HETATM 3182 O HOH 52 21.594 7.037 -10.717 1.00 23.62 O HETATM 3183 O HOH 53 13.429 15.704 10.868 1.00 23.47 O HETATM 3184 O HOH 54 17.154 26.821 -16.490 1.00 30.63 O HETATM 3185 O HOH 55 6.549 34.289 -2.272 1.00 22.25 O HETATM 3186 O HOH 56 12.242 39.112 -3.480 1.00 32.89 O HETATM 3187 O HOH 57 13.276 35.689 -3.691 1.00 37.83 O HETATM 3188 O HOH 58 26.377 26.607 -17.439 1.00 42.37 O HETATM 3189 O HOH 59 5.986 14.596 -5.260 1.00 45.62 O HETATM 3190 O HOH 60 14.295 4.799 -0.308 1.00 33.45 O HETATM 3191 O HOH 61 8.243 7.976 3.756 1.00 46.29 O HETATM 3192 O HOH 62 14.148 31.389 -13.076 1.00 28.89 O HETATM 3193 O HOH 63 5.794 28.934 -4.000 1.00 50.96 O HETATM 3194 O HOH 64 22.549 9.368 -14.959 1.00 52.25 O HETATM 3195 O HOH 65 6.515 15.472 2.608 1.00 53.74 O HETATM 3196 O HOH 66 9.882 7.201 -2.671 1.00 30.36 O HETATM 3197 O HOH 67 29.081 34.216 -5.700 1.00 43.76 O HETATM 3198 O HOH 68 4.506 15.252 12.028 1.00 40.54 O HETATM 3199 O HOH 69 9.820 17.490 13.926 1.00 32.89 O HETATM 3200 O HOH 70 20.572 14.894 3.719 1.00 38.92 O HETATM 3201 O HOH 71 18.087 14.569 6.292 1.00 33.69 O HETATM 3202 O HOH 72 20.049 21.301 6.233 1.00 35.86 O HETATM 3203 O HOH 73 23.183 12.272 -0.947 1.00 56.51 O HETATM 3204 O HOH 74 28.323 25.703 -13.737 1.00 41.85 O HETATM 3205 O HOH 75 5.385 22.399 -7.937 1.00 45.05 O HETATM 3206 O HOH 76 6.895 36.301 1.484 1.00 33.10 O HETATM 3207 O HOH 77 27.465 18.642 3.112 1.00 46.63 O HETATM 3208 O HOH 78 8.892 13.050 -16.131 1.00 37.03 O HETATM 3209 O HOH 79 9.496 10.653 11.079 1.00 49.85 O HETATM 3210 O HOH 80 25.349 18.818 0.528 1.00 32.02 O HETATM 3211 O HOH 81 1.905 29.224 3.423 1.00 41.27 O HETATM 3212 O HOH 82 16.308 16.089 10.706 1.00 40.61 O HETATM 3213 O HOH 83 24.944 7.526 -13.722 1.00 51.35 O HETATM 3214 O HOH 84 15.169 28.883 -17.190 1.00 45.98 O HETATM 3215 O HOH 85 31.457 26.818 -5.413 1.00 20.00 O HETATM 3216 O HOH 86 7.151 22.760 -11.574 1.00 20.00 O HETATM 3217 O HOH 87 7.291 5.871 -8.370 1.00 20.00 O HETATM 3218 O HOH 88 7.505 40.126 1.858 1.00 20.00 O HETATM 3219 O HOH 89 2.181 26.803 2.127 1.00 20.00 O HETATM 3220 O HOH 90 28.222 18.715 -5.443 1.00 20.00 O HETATM 3221 O HOH 91 28.647 31.839 -10.496 1.00 20.00 O HETATM 3222 O HOH 92 7.782 33.972 -5.591 1.00 20.00 O HETATM 3223 O HOH 93 1.878 29.722 -0.827 1.00 20.00 O HETATM 3224 O HOH 94 22.695 6.291 -6.675 1.00 20.00 O HETATM 3225 O HOH 95 24.406 15.840 2.350 1.00 20.00 O HETATM 3226 O HOH 96 18.295 13.225 -16.280 1.00 20.00 O HETATM 3227 O HOH 97 25.790 44.461 -5.203 1.00 20.00 O HETATM 3228 O HOH 98 11.938 15.371 13.091 1.00 20.00 O HETATM 3229 O HOH 99 29.344 20.486 -3.440 1.00 20.00 O HETATM 3230 O HOH 100 4.192 16.357 -5.770 1.00 20.00 O HETATM 3231 C1 RIT A 101 16.662 17.790 1.494 1.00 -0.02 C HETATM 3232 N5 RIT A 101 17.867 17.366 1.377 1.00 -0.33 N HETATM 3233 C4 RIT A 101 18.316 17.113 2.555 1.00 0.07 C HETATM 3234 S3 RIT A 101 17.345 17.324 4.036 1.00 -0.00 S HETATM 3235 C2 RIT A 101 16.229 17.935 2.784 1.00 0.06 C HETATM 3236 C6 RIT A 101 15.073 18.417 3.489 1.00 0.12 C HETATM 3237 O7 RIT A 101 15.186 19.813 3.708 1.00 -0.25 O HETATM 3238 C10 RIT A 101 14.216 20.602 4.339 1.00 0.32 C HETATM 3239 O24 RIT A 101 13.103 20.170 4.660 1.00 -0.38 O HETATM 3240 N11 RIT A 101 14.650 21.872 4.525 1.00 -0.25 N HETATM 3241 C12 RIT A 101 13.873 22.912 5.228 1.00 0.08 C HETATM 3242 C26 RIT A 101 14.261 23.243 6.671 1.00 0.01 C HETATM 3243 C28 RIT A 101 14.816 22.225 7.534 1.00 -0.04 C HETATM 3244 C35 RIT A 101 16.115 21.668 7.549 1.00 -0.06 C HETATM 3245 C34 RIT A 101 16.392 20.566 8.364 1.00 -0.07 C HETATM 3246 C33 RIT A 101 15.374 20.013 9.171 1.00 -0.07 C HETATM 3247 C32 RIT A 101 14.098 20.603 9.157 1.00 -0.07 C HETATM 3248 C31 RIT A 101 13.799 21.708 8.344 1.00 -0.06 C HETATM 3249 H15 RIT A 101 12.808 22.148 8.344 1.00 0.06 H HETATM 3250 H16 RIT A 101 13.322 20.193 9.793 1.00 0.06 H HETATM 3251 H17 RIT A 101 15.573 19.147 9.792 1.00 0.06 H HETATM 3252 H18 RIT A 101 17.387 20.137 8.376 1.00 0.06 H HETATM 3253 H19 RIT A 101 16.895 22.095 6.929 1.00 0.06 H HETATM 3254 H13 RIT A 101 13.350 23.613 7.165 1.00 0.04 H HETATM 3255 H14 RIT A 101 15.005 24.052 6.620 1.00 0.04 H HETATM 3256 C13 RIT A 101 13.503 24.140 4.392 1.00 0.08 C HETATM 3257 O41 RIT A 101 14.754 24.664 3.978 1.00 -0.39 O HETATM 3258 H20 RIT A 101 14.611 25.439 3.447 1.00 0.21 H HETATM 3259 C14 RIT A 101 12.672 23.806 3.171 1.00 0.00 C HETATM 3260 C15 RIT A 101 11.140 23.572 3.315 1.00 0.05 C HETATM 3261 N58 RIT A 101 10.469 24.554 4.137 1.00 -0.28 N HETATM 3262 C18 RIT A 101 9.960 24.298 5.348 1.00 0.20 C HETATM 3263 O61 RIT A 101 9.968 23.159 5.858 1.00 -0.39 O HETATM 3264 C19 RIT A 101 9.274 25.515 5.996 1.00 0.13 C HETATM 3265 C62 RIT A 101 9.255 25.567 7.557 1.00 -0.01 C HETATM 3266 C68 RIT A 101 8.565 26.841 8.095 1.00 -0.06 C HETATM 3267 H33 RIT A 101 7.623 27.005 7.552 1.00 0.02 H HETATM 3268 H34 RIT A 101 9.228 27.707 7.949 1.00 0.02 H HETATM 3269 H35 RIT A 101 8.354 26.718 9.168 1.00 0.02 H HETATM 3270 C64 RIT A 101 10.596 25.275 8.282 1.00 -0.06 C HETATM 3271 H30 RIT A 101 10.447 25.343 9.370 1.00 0.02 H HETATM 3272 H31 RIT A 101 11.350 26.012 7.968 1.00 0.02 H HETATM 3273 H32 RIT A 101 10.941 24.263 8.022 1.00 0.02 H HETATM 3274 H29 RIT A 101 8.598 24.735 7.851 1.00 0.03 H HETATM 3275 N20 RIT A 101 7.906 25.680 5.503 1.00 -0.25 N HETATM 3276 C21 RIT A 101 7.665 26.518 4.481 1.00 0.26 C HETATM 3277 O76 RIT A 101 8.471 27.427 4.192 1.00 -0.40 O HETATM 3278 N74 RIT A 101 6.423 26.400 3.958 1.00 -0.25 N HETATM 3279 C95 RIT A 101 5.484 25.508 4.240 1.00 0.02 C HETATM 3280 H46 RIT A 101 5.856 24.814 5.008 1.00 0.05 H HETATM 3281 H47 RIT A 101 5.228 24.945 3.330 1.00 0.05 H HETATM 3282 H48 RIT A 101 4.588 26.025 4.615 1.00 0.05 H HETATM 3283 C75 RIT A 101 5.969 27.345 2.938 1.00 0.06 C HETATM 3284 C77 RIT A 101 5.910 26.849 1.559 1.00 0.01 C HETATM 3285 N83 RIT A 101 4.871 26.263 1.044 1.00 -0.32 N HETATM 3286 C82 RIT A 101 5.087 25.736 -0.124 1.00 0.09 C HETATM 3287 S81 RIT A 101 6.639 26.257 -0.785 1.00 -0.02 S HETATM 3288 C80 RIT A 101 7.024 27.012 0.784 1.00 -0.00 C HETATM 3289 H38 RIT A 101 7.955 27.502 1.066 1.00 0.05 H HETATM 3290 C85 RIT A 101 4.497 24.886 -1.046 1.00 0.02 C HETATM 3291 C90 RIT A 101 3.245 24.373 -0.462 1.00 -0.05 C HETATM 3292 H43 RIT A 101 3.398 24.161 0.607 1.00 0.03 H HETATM 3293 H44 RIT A 101 2.950 23.448 -0.980 1.00 0.03 H HETATM 3294 H45 RIT A 101 2.451 25.126 -0.576 1.00 0.03 H HETATM 3295 C86 RIT A 101 4.139 25.131 -2.506 1.00 -0.05 C HETATM 3296 H40 RIT A 101 3.681 24.224 -2.928 1.00 0.03 H HETATM 3297 H41 RIT A 101 5.050 25.379 -3.070 1.00 0.03 H HETATM 3298 H42 RIT A 101 3.427 25.967 -2.574 1.00 0.03 H HETATM 3299 H39 RIT A 101 5.212 24.052 -1.096 1.00 0.06 H HETATM 3300 H36 RIT A 101 6.653 28.206 2.953 1.00 0.07 H HETATM 3301 H37 RIT A 101 4.957 27.675 3.217 1.00 0.07 H HETATM 3302 H12 RIT A 101 7.155 25.172 5.925 1.00 0.19 H HETATM 3303 H11 RIT A 101 9.849 26.392 5.666 1.00 0.08 H HETATM 3304 H28 RIT A 101 10.380 25.483 3.778 1.00 0.19 H HETATM 3305 C44 RIT A 101 10.569 23.586 1.929 1.00 0.00 C HETATM 3306 C45 RIT A 101 9.254 22.978 2.001 1.00 -0.04 C HETATM 3307 C52 RIT A 101 9.059 21.593 1.992 1.00 -0.06 C HETATM 3308 C51 RIT A 101 7.756 21.090 2.003 1.00 -0.07 C HETATM 3309 C50 RIT A 101 6.660 21.949 2.026 1.00 -0.07 C HETATM 3310 C49 RIT A 101 6.836 23.335 2.041 1.00 -0.07 C HETATM 3311 C48 RIT A 101 8.149 23.845 2.018 1.00 -0.06 C HETATM 3312 H23 RIT A 101 8.308 24.917 2.013 1.00 0.06 H HETATM 3313 H24 RIT A 101 5.982 24.002 2.070 1.00 0.06 H HETATM 3314 H25 RIT A 101 5.657 21.537 2.032 1.00 0.06 H HETATM 3315 H26 RIT A 101 7.596 20.018 1.994 1.00 0.06 H HETATM 3316 H27 RIT A 101 9.908 20.919 1.977 1.00 0.06 H HETATM 3317 H21 RIT A 101 11.214 23.009 1.250 1.00 0.04 H HETATM 3318 H22 RIT A 101 10.486 24.621 1.566 1.00 0.04 H HETATM 3319 H10 RIT A 101 10.977 22.583 3.767 1.00 0.06 H HETATM 3320 H8 RIT A 101 13.095 22.886 2.740 1.00 0.03 H HETATM 3321 H9 RIT A 101 12.801 24.637 2.461 1.00 0.03 H HETATM 3322 H7 RIT A 101 12.957 24.868 5.010 1.00 0.06 H HETATM 3323 H6 RIT A 101 12.902 22.413 5.360 1.00 0.06 H HETATM 3324 H5 RIT A 101 15.550 22.119 4.165 1.00 0.19 H HETATM 3325 H3 RIT A 101 14.996 17.901 4.458 1.00 0.08 H HETATM 3326 H4 RIT A 101 14.171 18.214 2.893 1.00 0.08 H HETATM 3327 H2 RIT A 101 19.339 16.752 2.653 1.00 0.11 H HETATM 3328 H1 RIT A 101 16.033 18.017 0.634 1.00 0.04 H CONECT 3231 3232 3235 3328 CONECT 3232 3231 3233 CONECT 3233 3232 3234 3327 CONECT 3234 3233 3235 CONECT 3235 3231 3234 3236 CONECT 3236 3235 3237 3325 3326 CONECT 3237 3236 3238 CONECT 3238 3237 3239 3240 CONECT 3239 3238 CONECT 3240 3238 3241 3324 CONECT 3241 3240 3242 3256 3323 CONECT 3242 3241 3243 3254 3255 CONECT 3243 3242 3244 3248 CONECT 3244 3243 3245 3253 CONECT 3245 3244 3246 3252 CONECT 3246 3245 3247 3251 CONECT 3247 3246 3248 3250 CONECT 3248 3243 3247 3249 CONECT 3249 3248 CONECT 3250 3247 CONECT 3251 3246 CONECT 3252 3245 CONECT 3253 3244 CONECT 3254 3242 CONECT 3255 3242 CONECT 3256 3241 3257 3259 3322 CONECT 3257 3256 3258 CONECT 3258 3257 CONECT 3259 3256 3260 3320 3321 CONECT 3260 3259 3261 3305 3319 CONECT 3261 3260 3262 3304 CONECT 3262 3261 3263 3264 CONECT 3263 3262 CONECT 3264 3262 3265 3275 3303 CONECT 3265 3264 3266 3270 3274 CONECT 3266 3265 3267 3268 3269 CONECT 3267 3266 CONECT 3268 3266 CONECT 3269 3266 CONECT 3270 3265 3271 3272 3273 CONECT 3271 3270 CONECT 3272 3270 CONECT 3273 3270 CONECT 3274 3265 CONECT 3275 3264 3276 3302 CONECT 3276 3275 3277 3278 CONECT 3277 3276 CONECT 3278 3276 3279 3283 CONECT 3279 3278 3280 3281 3282 CONECT 3280 3279 CONECT 3281 3279 CONECT 3282 3279 CONECT 3283 3278 3284 3300 3301 CONECT 3284 3283 3285 3288 CONECT 3285 3284 3286 CONECT 3286 3285 3287 3290 CONECT 3287 3286 3288 CONECT 3288 3284 3287 3289 CONECT 3289 3288 CONECT 3290 3286 3291 3295 3299 CONECT 3291 3290 3292 3293 3294 CONECT 3292 3291 CONECT 3293 3291 CONECT 3294 3291 CONECT 3295 3290 3296 3297 3298 CONECT 3296 3295 CONECT 3297 3295 CONECT 3298 3295 CONECT 3299 3290 CONECT 3300 3283 CONECT 3301 3283 CONECT 3302 3275 CONECT 3303 3264 CONECT 3304 3261 CONECT 3305 3260 3306 3317 3318 CONECT 3306 3305 3307 3311 CONECT 3307 3306 3308 3316 CONECT 3308 3307 3309 3315 CONECT 3309 3308 3310 3314 CONECT 3310 3309 3311 3313 CONECT 3311 3306 3310 3312 CONECT 3312 3311 CONECT 3313 3310 CONECT 3314 3309 CONECT 3315 3308 CONECT 3316 3307 CONECT 3317 3305 CONECT 3318 3305 CONECT 3319 3260 CONECT 3320 3259 CONECT 3321 3259 CONECT 3322 3256 CONECT 3323 3241 CONECT 3324 3240 CONECT 3325 3236 CONECT 3326 3236 CONECT 3327 3233 CONECT 3328 3231 MASTER 0 0 0 0 0 0 0 0 3326 2 98 16 END
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RCSB PDB
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RCSB PDB
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PDBbind
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1sh9
RCSB PDB
PDBbind
RIT
3prs
RCSB PDB
PDBbind
RIT
3tne
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PDBbind
RIT
4eyr
RCSB PDB
PDBbind
RIT
Entry Information
PDB ID
1hxw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 protease
Ligand Name
RIT
EC.Number
E.C.3.4.23.16
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=15pM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
Proc.Natl.Acad.Sci.USA v92 pp. 2484-8, 1995
Ligand Properties
Formula
C
3
7
H
4
8
N
6
O
5
S
2
Molecular Weight
720.944
Exact Mass
720.313
No. of atoms
98
No. of bonds
101
Polar Surface Area
202.26
LOGP Value
6.05 (
Computed with XLOGP3
)
7.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1
InChI String
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/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):
P12499
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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