Browse entries in the PDBbind-CN Database
HEADER 6DH4_COMPLEX COMPND 6DH4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL 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 ILE ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL 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 ILE ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET K A 13 78 ATOM 1 N PRO A 1 80.046 65.280 -2.998 1.00 43.43 N ATOM 2 CA PRO A 1 79.121 64.502 -3.828 1.00 38.09 C ATOM 3 C PRO A 1 77.695 64.514 -3.290 1.00 29.73 C ATOM 4 O PRO A 1 77.466 64.963 -2.167 1.00 30.15 O ATOM 5 CB PRO A 1 79.710 63.093 -3.770 1.00 46.17 C ATOM 6 CG PRO A 1 80.371 63.030 -2.437 1.00 40.71 C ATOM 7 CD PRO A 1 80.910 64.413 -2.178 1.00 35.95 C ATOM 8 HN2 PRO A 1 79.495 65.898 -2.369 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.645 65.863 -3.617 1.00 0.00 H ATOM 10 N GLN A 2 76.753 64.031 -4.093 1.00 27.31 N ATOM 11 CA GLN A 2 75.371 63.851 -3.669 1.00 24.01 C ATOM 12 C GLN A 2 75.143 62.376 -3.365 1.00 30.25 C ATOM 13 O GLN A 2 75.429 61.515 -4.203 1.00 30.37 O ATOM 14 CB GLN A 2 74.402 64.336 -4.748 1.00 27.80 C ATOM 15 CG GLN A 2 72.934 64.201 -4.377 1.00 26.17 C ATOM 16 CD GLN A 2 72.031 65.033 -5.269 1.00 34.16 C ATOM 17 OE1 GLN A 2 71.600 66.121 -4.891 1.00 29.87 O ATOM 18 NE2 GLN A 2 71.743 64.523 -6.461 1.00 34.63 N ATOM 19 HE22 GLN A 2 72.130 63.599 -6.738 1.00 0.00 H ATOM 20 HE21 GLN A 2 71.130 65.048 -7.117 1.00 0.00 H ATOM 21 H GLN A 2 77.013 63.770 -5.066 1.00 0.00 H ATOM 22 N ILE A 3 74.638 62.090 -2.168 1.00 23.57 N ATOM 23 CA ILE A 3 74.483 60.723 -1.683 1.00 23.23 C ATOM 24 C ILE A 3 73.004 60.473 -1.425 1.00 21.89 C ATOM 25 O ILE A 3 72.387 61.155 -0.595 1.00 19.39 O ATOM 26 CB ILE A 3 75.310 60.470 -0.412 1.00 24.45 C ATOM 27 CG1 ILE A 3 76.798 60.699 -0.695 1.00 21.57 C ATOM 28 CG2 ILE A 3 75.078 59.052 0.107 1.00 21.78 C ATOM 29 CD1 ILE A 3 77.690 60.609 0.529 1.00 23.92 C ATOM 30 H ILE A 3 74.341 62.874 -1.552 1.00 0.00 H ATOM 31 N THR A 4 72.439 59.497 -2.129 1.00 18.44 N ATOM 32 CA THR A 4 71.080 59.060 -1.862 1.00 18.48 C ATOM 33 C THR A 4 71.066 58.108 -0.669 1.00 14.94 C ATOM 34 O THR A 4 72.106 57.633 -0.204 1.00 18.81 O ATOM 35 CB THR A 4 70.480 58.380 -3.091 1.00 23.75 C ATOM 36 OG1 THR A 4 71.317 57.289 -3.492 1.00 23.83 O ATOM 37 CG2 THR A 4 70.353 59.370 -4.242 1.00 27.61 C ATOM 38 HG1 THR A 4 70.926 56.850 -4.289 1.00 0.00 H ATOM 39 H THR A 4 72.982 59.037 -2.887 1.00 0.00 H ATOM 40 N LEU A 5 69.861 57.827 -0.168 1.00 18.95 N ATOM 41 CA LEU A 5 69.700 57.089 1.080 1.00 18.02 C ATOM 42 C LEU A 5 68.997 55.748 0.890 1.00 18.35 C ATOM 43 O LEU A 5 68.419 55.219 1.843 1.00 16.81 O ATOM 44 CB LEU A 5 68.948 57.953 2.093 1.00 14.12 C ATOM 45 CG LEU A 5 69.665 59.266 2.432 1.00 15.36 C ATOM 46 CD1 LEU A 5 68.767 60.186 3.240 1.00 16.91 C ATOM 47 CD2 LEU A 5 70.965 59.003 3.182 1.00 19.88 C ATOM 48 H LEU A 5 69.014 58.143 -0.682 1.00 0.00 H ATOM 49 N TRP A 6 69.046 55.179 -0.317 1.00 25.58 N ATOM 50 CA TRP A 6 68.510 53.838 -0.526 1.00 21.01 C ATOM 51 C TRP A 6 69.323 52.794 0.224 1.00 19.92 C ATOM 52 O TRP A 6 68.770 51.785 0.672 1.00 18.84 O ATOM 53 CB TRP A 6 68.475 53.523 -2.019 1.00 28.07 C ATOM 54 CG TRP A 6 67.654 54.503 -2.784 1.00 24.99 C ATOM 55 CD1 TRP A 6 68.106 55.485 -3.617 1.00 27.69 C ATOM 56 CD2 TRP A 6 66.229 54.610 -2.772 1.00 20.21 C ATOM 57 NE1 TRP A 6 67.047 56.194 -4.128 1.00 33.14 N ATOM 58 CE2 TRP A 6 65.883 55.675 -3.625 1.00 25.47 C ATOM 59 CE3 TRP A 6 65.212 53.905 -2.123 1.00 27.11 C ATOM 60 CZ2 TRP A 6 64.562 56.051 -3.847 1.00 30.32 C ATOM 61 CZ3 TRP A 6 63.902 54.279 -2.345 1.00 27.88 C ATOM 62 CH2 TRP A 6 63.588 55.341 -3.200 1.00 29.41 C ATOM 63 HE1 TRP A 6 67.117 56.994 -4.789 1.00 0.00 H ATOM 64 H TRP A 6 69.469 55.696 -1.114 1.00 0.00 H ATOM 65 N LYS A 7 70.626 53.015 0.362 1.00 19.43 N ATOM 66 CA LYS A 7 71.496 52.196 1.190 1.00 23.70 C ATOM 67 C LYS A 7 72.095 53.066 2.288 1.00 14.38 C ATOM 68 O LYS A 7 71.999 54.295 2.258 1.00 16.94 O ATOM 69 CB LYS A 7 72.605 51.547 0.352 1.00 23.68 C ATOM 70 H LYS A 7 71.046 53.817 -0.150 1.00 0.00 H ATOM 71 N ARG A 8 72.715 52.418 3.266 1.00 13.88 N ATOM 72 CA ARG A 8 73.364 53.156 4.339 1.00 17.61 C ATOM 73 C ARG A 8 74.438 54.069 3.752 1.00 22.96 C ATOM 74 O ARG A 8 75.240 53.619 2.921 1.00 17.99 O ATOM 75 CB ARG A 8 73.987 52.200 5.356 1.00 19.83 C ATOM 76 CG ARG A 8 72.983 51.546 6.296 1.00 19.60 C ATOM 77 CD ARG A 8 73.674 50.927 7.504 1.00 19.15 C ATOM 78 NE ARG A 8 72.721 50.430 8.492 1.00 27.60 N ATOM 79 CZ ARG A 8 73.062 49.886 9.656 1.00 24.52 C ATOM 80 NH1 ARG A 8 74.339 49.761 9.988 1.00 21.41 N ATOM 81 NH2 ARG A 8 72.125 49.462 10.492 1.00 30.19 N ATOM 82 HE ARG A 8 71.708 50.507 8.270 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.600 49.335 10.900 1.00 0.00 H ATOM 84 HH11 ARG A 8 75.080 50.089 9.337 1.00 0.00 H ATOM 85 HH22 ARG A 8 72.394 49.037 11.402 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.121 49.555 10.238 1.00 0.00 H ATOM 87 H ARG A 8 72.737 51.378 3.266 1.00 0.00 H ATOM 88 N PRO A 9 74.484 55.350 4.139 1.00 16.53 N ATOM 89 CA PRO A 9 75.536 56.232 3.614 1.00 14.68 C ATOM 90 C PRO A 9 76.894 55.942 4.232 1.00 17.31 C ATOM 91 O PRO A 9 77.407 56.725 5.039 1.00 15.60 O ATOM 92 CB PRO A 9 75.028 57.633 3.973 1.00 12.15 C ATOM 93 CG PRO A 9 74.199 57.428 5.183 1.00 14.18 C ATOM 94 CD PRO A 9 73.544 56.079 5.008 1.00 15.63 C ATOM 95 N LEU A 10 77.482 54.808 3.858 1.00 18.94 N ATOM 96 CA LEU A 10 78.793 54.412 4.349 1.00 18.04 C ATOM 97 C LEU A 10 79.883 55.010 3.469 1.00 20.82 C ATOM 98 O LEU A 10 79.776 55.012 2.240 1.00 21.88 O ATOM 99 CB LEU A 10 78.919 52.887 4.372 1.00 25.04 C ATOM 100 CG LEU A 10 77.995 52.152 5.345 1.00 19.34 C ATOM 101 CD1 LEU A 10 77.987 50.662 5.050 1.00 29.35 C ATOM 102 CD2 LEU A 10 78.422 52.406 6.781 1.00 18.62 C ATOM 103 H LEU A 10 76.987 54.183 3.191 1.00 0.00 H ATOM 104 N VAL A 11 80.936 55.520 4.109 1.00 19.41 N ATOM 105 CA VAL A 11 82.055 56.134 3.408 1.00 18.76 C ATOM 106 C VAL A 11 83.350 55.726 4.094 1.00 20.71 C ATOM 107 O VAL A 11 83.370 55.336 5.263 1.00 18.77 O ATOM 108 CB VAL A 11 81.943 57.674 3.354 1.00 22.79 C ATOM 109 CG1 VAL A 11 80.714 58.088 2.561 1.00 18.68 C ATOM 110 CG2 VAL A 11 81.901 58.264 4.760 1.00 25.56 C ATOM 111 H VAL A 11 80.959 55.478 5.148 1.00 0.00 H ATOM 112 N THR A 12 84.443 55.824 3.345 1.00 21.00 N ATOM 113 CA THR A 12 85.764 55.509 3.866 1.00 17.54 C ATOM 114 C THR A 12 86.331 56.732 4.574 1.00 17.80 C ATOM 115 O THR A 12 86.292 57.843 4.036 1.00 23.57 O ATOM 116 CB THR A 12 86.703 55.065 2.744 1.00 26.24 C ATOM 117 OG1 THR A 12 86.092 54.009 1.995 1.00 23.58 O ATOM 118 CG2 THR A 12 88.027 54.573 3.316 1.00 24.29 C ATOM 119 HG1 THR A 12 85.910 53.243 2.595 1.00 0.00 H ATOM 120 H THR A 12 84.351 56.135 2.357 1.00 0.00 H ATOM 121 N ILE A 13 86.849 56.523 5.781 1.00 16.12 N ATOM 122 CA ILE A 13 87.472 57.582 6.560 1.00 22.07 C ATOM 123 C ILE A 13 88.916 57.188 6.834 1.00 25.55 C ATOM 124 O ILE A 13 89.289 56.015 6.774 1.00 18.59 O ATOM 125 CB ILE A 13 86.726 57.856 7.882 1.00 17.55 C ATOM 126 CG1 ILE A 13 86.735 56.614 8.776 1.00 15.42 C ATOM 127 CG2 ILE A 13 85.293 58.288 7.595 1.00 20.66 C ATOM 128 CD1 ILE A 13 86.356 56.885 10.211 1.00 15.08 C ATOM 129 H ILE A 13 86.807 55.565 6.184 1.00 0.00 H ATOM 130 N LYS A 14 89.728 58.193 7.152 1.00 25.56 N ATOM 131 CA LYS A 14 91.122 57.985 7.524 1.00 20.93 C ATOM 132 C LYS A 14 91.375 58.692 8.844 1.00 23.54 C ATOM 133 O LYS A 14 91.224 59.915 8.936 1.00 23.61 O ATOM 134 CB LYS A 14 92.068 58.503 6.437 1.00 29.37 C ATOM 135 CG LYS A 14 93.540 58.368 6.777 1.00 29.92 C ATOM 136 CD LYS A 14 94.401 58.824 5.612 1.00 36.40 C ATOM 137 CE LYS A 14 95.744 59.357 6.077 1.00 41.12 C ATOM 138 NZ LYS A 14 96.426 60.132 5.004 1.00 46.93 N ATOM 139 HZ1 LYS A 14 96.583 59.517 4.180 1.00 0.00 H ATOM 140 HZ2 LYS A 14 95.830 60.938 4.728 1.00 0.00 H ATOM 141 HZ3 LYS A 14 97.340 60.481 5.357 1.00 0.00 H ATOM 142 H LYS A 14 89.354 59.163 7.134 1.00 0.00 H ATOM 143 N ILE A 15 91.742 57.923 9.866 1.00 24.60 N ATOM 144 CA ILE A 15 92.007 58.458 11.196 1.00 27.91 C ATOM 145 C ILE A 15 93.213 57.728 11.769 1.00 31.65 C ATOM 146 O ILE A 15 93.302 56.499 11.678 1.00 30.28 O ATOM 147 CB ILE A 15 90.786 58.318 12.128 1.00 27.99 C ATOM 148 CG1 ILE A 15 91.113 58.886 13.511 1.00 25.47 C ATOM 149 CG2 ILE A 15 90.343 56.859 12.225 1.00 28.95 C ATOM 150 CD1 ILE A 15 89.905 59.088 14.396 1.00 29.26 C ATOM 151 H ILE A 15 91.844 56.900 9.710 1.00 0.00 H ATOM 152 N GLY A 16 94.139 58.482 12.353 1.00 33.97 N ATOM 153 CA GLY A 16 95.356 57.889 12.885 1.00 33.77 C ATOM 154 C GLY A 16 96.135 57.101 11.855 1.00 38.09 C ATOM 155 O GLY A 16 96.748 56.079 12.188 1.00 39.58 O ATOM 156 H GLY A 16 93.992 59.509 12.430 1.00 0.00 H ATOM 157 N GLY A 17 96.127 57.556 10.604 1.00 29.75 N ATOM 158 CA GLY A 17 96.813 56.846 9.543 1.00 33.71 C ATOM 159 C GLY A 17 96.223 55.491 9.228 1.00 35.43 C ATOM 160 O GLY A 17 96.954 54.584 8.819 1.00 52.41 O ATOM 161 H GLY A 17 95.619 58.437 10.384 1.00 0.00 H ATOM 162 N GLN A 18 94.913 55.330 9.401 1.00 37.37 N ATOM 163 CA GLN A 18 94.250 54.049 9.200 1.00 34.87 C ATOM 164 C GLN A 18 92.929 54.280 8.485 1.00 31.57 C ATOM 165 O GLN A 18 92.179 55.192 8.845 1.00 28.45 O ATOM 166 CB GLN A 18 94.013 53.342 10.540 1.00 39.87 C ATOM 167 CG GLN A 18 93.477 51.925 10.418 1.00 49.57 C ATOM 168 CD GLN A 18 93.327 51.245 11.766 1.00 49.74 C ATOM 169 OE1 GLN A 18 92.947 51.876 12.753 1.00 50.37 O ATOM 170 NE2 GLN A 18 93.636 49.955 11.817 1.00 52.08 N ATOM 171 HE22 GLN A 18 93.953 49.462 10.958 1.00 0.00 H ATOM 172 HE21 GLN A 18 93.561 49.438 12.716 1.00 0.00 H ATOM 173 H GLN A 18 94.342 56.149 9.690 1.00 0.00 H ATOM 174 N LEU A 19 92.651 53.458 7.477 1.00 18.49 N ATOM 175 CA LEU A 19 91.406 53.549 6.730 1.00 25.77 C ATOM 176 C LEU A 19 90.313 52.752 7.429 1.00 32.41 C ATOM 177 O LEU A 19 90.561 51.667 7.964 1.00 30.92 O ATOM 178 CB LEU A 19 91.586 53.035 5.300 1.00 31.39 C ATOM 179 CG LEU A 19 92.597 53.760 4.407 1.00 28.86 C ATOM 180 CD1 LEU A 19 92.485 53.247 2.978 1.00 25.10 C ATOM 181 CD2 LEU A 19 92.409 55.271 4.447 1.00 28.69 C ATOM 182 H LEU A 19 93.344 52.728 7.215 1.00 0.00 H ATOM 183 N LYS A 20 89.100 53.298 7.417 1.00 25.26 N ATOM 184 CA LYS A 20 87.954 52.652 8.037 1.00 23.92 C ATOM 185 C LYS A 20 86.695 53.050 7.283 1.00 19.68 C ATOM 186 O LYS A 20 86.678 54.028 6.532 1.00 21.80 O ATOM 187 CB LYS A 20 87.818 53.032 9.517 1.00 25.51 C ATOM 188 CG LYS A 20 88.883 52.443 10.428 1.00 28.45 C ATOM 189 CD LYS A 20 88.805 53.058 11.816 1.00 33.31 C ATOM 190 CE LYS A 20 89.751 52.373 12.787 1.00 32.19 C ATOM 191 NZ LYS A 20 89.128 51.193 13.441 1.00 35.51 N ATOM 192 HZ1 LYS A 20 88.285 51.496 13.970 1.00 0.00 H ATOM 193 HZ2 LYS A 20 88.853 50.501 12.715 1.00 0.00 H ATOM 194 HZ3 LYS A 20 89.811 50.759 14.094 1.00 0.00 H ATOM 195 H LYS A 20 88.967 54.217 6.949 1.00 0.00 H ATOM 196 N GLU A 21 85.639 52.273 7.493 1.00 19.42 N ATOM 197 CA GLU A 21 84.321 52.577 6.960 1.00 19.90 C ATOM 198 C GLU A 21 83.447 53.127 8.078 1.00 19.34 C ATOM 199 O GLU A 21 83.440 52.595 9.191 1.00 17.50 O ATOM 200 CB GLU A 21 83.683 51.329 6.349 1.00 23.19 C ATOM 201 CG GLU A 21 82.336 51.565 5.698 1.00 28.65 C ATOM 202 CD GLU A 21 81.939 50.432 4.772 1.00 28.82 C ATOM 203 OE1 GLU A 21 82.334 50.464 3.587 1.00 28.57 O ATOM 204 OE2 GLU A 21 81.243 49.504 5.232 1.00 35.09 O ATOM 205 H GLU A 21 85.760 51.411 8.062 1.00 0.00 H ATOM 206 N ALA A 22 82.717 54.200 7.779 1.00 16.40 N ATOM 207 CA ALA A 22 81.927 54.894 8.783 1.00 14.98 C ATOM 208 C ALA A 22 80.601 55.329 8.180 1.00 18.04 C ATOM 209 O ALA A 22 80.471 55.507 6.966 1.00 16.83 O ATOM 210 CB ALA A 22 82.674 56.109 9.350 1.00 19.23 C ATOM 211 H ALA A 22 82.712 54.551 6.800 1.00 0.00 H ATOM 212 N LEU A 23 79.617 55.509 9.057 1.00 17.33 N ATOM 213 CA LEU A 23 78.256 55.855 8.670 1.00 14.24 C ATOM 214 C LEU A 23 78.029 57.345 8.891 1.00 13.60 C ATOM 215 O LEU A 23 78.183 57.838 10.013 1.00 13.86 O ATOM 216 CB LEU A 23 77.250 55.040 9.482 1.00 17.27 C ATOM 217 CG LEU A 23 75.765 55.305 9.231 1.00 15.54 C ATOM 218 CD1 LEU A 23 75.353 54.821 7.857 1.00 14.77 C ATOM 219 CD2 LEU A 23 74.922 54.636 10.306 1.00 20.16 C ATOM 220 H LEU A 23 79.830 55.397 10.069 1.00 0.00 H ATOM 221 N LEU A 24 77.661 58.056 7.827 1.00 12.35 N ATOM 222 CA LEU A 24 77.251 59.448 7.963 1.00 16.70 C ATOM 223 C LEU A 24 75.898 59.496 8.659 1.00 16.29 C ATOM 224 O LEU A 24 74.895 59.013 8.122 1.00 13.80 O ATOM 225 CB LEU A 24 77.182 60.125 6.598 1.00 14.13 C ATOM 226 CG LEU A 24 78.458 60.085 5.752 1.00 13.88 C ATOM 227 CD1 LEU A 24 78.263 60.882 4.470 1.00 17.69 C ATOM 228 CD2 LEU A 24 79.664 60.605 6.519 1.00 16.36 C ATOM 229 H LEU A 24 77.666 57.612 6.886 1.00 0.00 H ATOM 230 N ASP A 25 75.874 60.086 9.853 1.00 11.12 N ATOM 231 CA ASP A 25 74.760 59.952 10.791 1.00 12.03 C ATOM 232 C ASP A 25 74.306 61.346 11.219 1.00 12.00 C ATOM 233 O ASP A 25 74.809 61.898 12.201 1.00 12.50 O ATOM 234 CB ASP A 25 75.194 59.099 11.983 1.00 16.29 C ATOM 235 CG ASP A 25 74.040 58.712 12.882 1.00 11.25 C ATOM 236 OD1 ASP A 25 72.933 59.266 12.720 1.00 12.62 O ATOM 237 OD2 ASP A 25 74.250 57.844 13.753 1.00 14.12 O ATOM 238 H ASP A 25 76.688 60.671 10.132 1.00 0.00 H ATOM 239 N THR A 26 73.343 61.913 10.485 1.00 12.33 N ATOM 240 CA THR A 26 72.853 63.246 10.818 1.00 11.77 C ATOM 241 C THR A 26 72.122 63.273 12.152 1.00 11.82 C ATOM 242 O THR A 26 71.944 64.352 12.728 1.00 13.45 O ATOM 243 CB THR A 26 71.930 63.772 9.714 1.00 15.61 C ATOM 244 OG1 THR A 26 70.865 62.842 9.484 1.00 12.34 O ATOM 245 CG2 THR A 26 72.707 63.992 8.424 1.00 14.01 C ATOM 246 HG1 THR A 26 70.344 62.726 10.318 1.00 0.00 H ATOM 247 H THR A 26 72.942 61.402 9.673 1.00 0.00 H ATOM 248 N GLY A 27 71.699 62.119 12.659 1.00 11.28 N ATOM 249 CA GLY A 27 71.046 62.048 13.946 1.00 12.63 C ATOM 250 C GLY A 27 71.981 61.953 15.126 1.00 11.37 C ATOM 251 O GLY A 27 71.519 61.864 16.268 1.00 13.70 O ATOM 252 H GLY A 27 71.842 61.244 12.115 1.00 0.00 H ATOM 253 N ALA A 28 73.288 61.958 14.889 1.00 12.96 N ATOM 254 CA ALA A 28 74.282 61.902 15.951 1.00 11.56 C ATOM 255 C ALA A 28 74.890 63.286 16.145 1.00 11.80 C ATOM 256 O ALA A 28 75.423 63.871 15.196 1.00 11.71 O ATOM 257 CB ALA A 28 75.372 60.886 15.617 1.00 13.37 C ATOM 258 H ALA A 28 73.615 62.004 13.903 1.00 0.00 H ATOM 259 N ASP A 29 74.807 63.807 17.371 1.00 13.10 N ATOM 260 CA ASP A 29 75.506 65.048 17.691 1.00 13.64 C ATOM 261 C ASP A 29 77.011 64.872 17.555 1.00 17.43 C ATOM 262 O ASP A 29 77.709 65.763 17.057 1.00 17.68 O ATOM 263 CB ASP A 29 75.167 65.500 19.111 1.00 15.76 C ATOM 264 CG ASP A 29 73.688 65.752 19.312 1.00 17.93 C ATOM 265 OD1 ASP A 29 72.938 65.784 18.315 1.00 16.86 O ATOM 266 OD2 ASP A 29 73.277 65.915 20.479 1.00 20.12 O ATOM 267 H ASP A 29 74.242 63.327 18.101 1.00 0.00 H ATOM 268 N ASP A 30 77.524 63.726 17.990 1.00 13.70 N ATOM 269 CA ASP A 30 78.950 63.493 18.120 1.00 12.90 C ATOM 270 C ASP A 30 79.372 62.307 17.264 1.00 14.10 C ATOM 271 O ASP A 30 78.547 61.507 16.814 1.00 14.60 O ATOM 272 CB ASP A 30 79.324 63.238 19.585 1.00 19.72 C ATOM 273 CG ASP A 30 78.832 64.335 20.509 1.00 23.96 C ATOM 274 OD1 ASP A 30 79.139 65.515 20.246 1.00 24.17 O ATOM 275 OD2 ASP A 30 78.127 64.019 21.491 1.00 33.78 O ATOM 276 H ASP A 30 76.872 62.959 18.250 1.00 0.00 H ATOM 277 N THR A 31 80.680 62.210 17.047 1.00 14.13 N ATOM 278 CA THR A 31 81.284 61.139 16.265 1.00 15.96 C ATOM 279 C THR A 31 81.777 60.057 17.219 1.00 17.64 C ATOM 280 O THR A 31 82.547 60.342 18.143 1.00 18.33 O ATOM 281 CB THR A 31 82.433 61.679 15.412 1.00 15.10 C ATOM 282 OG1 THR A 31 81.921 62.613 14.454 1.00 15.72 O ATOM 283 CG2 THR A 31 83.158 60.552 14.679 1.00 17.93 C ATOM 284 HG1 THR A 31 81.481 63.363 14.928 1.00 0.00 H ATOM 285 H THR A 31 81.304 62.935 17.456 1.00 0.00 H ATOM 286 N VAL A 32 81.336 58.822 16.994 1.00 16.33 N ATOM 287 CA VAL A 32 81.680 57.696 17.852 1.00 13.67 C ATOM 288 C VAL A 32 82.250 56.591 16.975 1.00 15.54 C ATOM 289 O VAL A 32 81.605 56.163 16.011 1.00 15.67 O ATOM 290 CB VAL A 32 80.462 57.185 18.645 1.00 15.48 C ATOM 291 CG1 VAL A 32 80.897 56.177 19.694 1.00 13.85 C ATOM 292 CG2 VAL A 32 79.716 58.347 19.293 1.00 16.67 C ATOM 293 H VAL A 32 80.721 58.654 16.172 1.00 0.00 H ATOM 294 N LEU A 33 83.454 56.133 17.308 1.00 14.99 N ATOM 295 CA LEU A 33 84.139 55.101 16.546 1.00 12.22 C ATOM 296 C LEU A 33 84.358 53.869 17.414 1.00 16.97 C ATOM 297 O LEU A 33 84.487 53.963 18.638 1.00 14.86 O ATOM 298 CB LEU A 33 85.490 55.598 16.017 1.00 16.96 C ATOM 299 CG LEU A 33 85.469 56.818 15.095 1.00 19.21 C ATOM 300 CD1 LEU A 33 86.886 57.162 14.670 1.00 27.81 C ATOM 301 CD2 LEU A 33 84.590 56.577 13.878 1.00 15.22 C ATOM 302 H LEU A 33 83.924 56.529 18.147 1.00 0.00 H ATOM 303 N GLU A 34 84.401 52.711 16.761 1.00 21.80 N ATOM 304 CA GLU A 34 84.638 51.460 17.459 1.00 18.80 C ATOM 305 C GLU A 34 86.016 51.472 18.120 1.00 20.43 C ATOM 306 O GLU A 34 86.858 52.336 17.863 1.00 18.78 O ATOM 307 CB GLU A 34 84.519 50.283 16.494 1.00 21.62 C ATOM 308 CG GLU A 34 83.152 50.162 15.847 1.00 21.47 C ATOM 309 CD GLU A 34 83.005 48.899 15.025 1.00 29.37 C ATOM 310 OE1 GLU A 34 83.682 48.788 13.982 1.00 31.31 O ATOM 311 OE2 GLU A 34 82.222 48.013 15.432 1.00 32.66 O ATOM 312 H GLU A 34 84.262 52.701 15.730 1.00 0.00 H ATOM 313 N GLU A 35 86.236 50.485 18.984 1.00 20.69 N ATOM 314 CA GLU A 35 87.466 50.415 19.761 1.00 24.30 C ATOM 315 C GLU A 35 88.683 50.482 18.849 1.00 24.52 C ATOM 316 O GLU A 35 88.767 49.767 17.849 1.00 20.87 O ATOM 317 CB GLU A 35 87.490 49.122 20.580 1.00 32.94 C ATOM 318 CG GLU A 35 88.321 49.208 21.847 1.00 43.94 C ATOM 319 CD GLU A 35 87.733 50.172 22.859 1.00 46.28 C ATOM 320 OE1 GLU A 35 86.511 50.098 23.114 1.00 39.71 O ATOM 321 OE2 GLU A 35 88.489 51.011 23.390 1.00 56.15 O ATOM 322 H GLU A 35 85.514 49.747 19.108 1.00 0.00 H ATOM 323 N MET A 36 89.621 51.357 19.197 1.00 26.69 N ATOM 324 CA MET A 36 90.846 51.514 18.427 1.00 33.08 C ATOM 325 C MET A 36 91.873 52.214 19.304 1.00 32.85 C ATOM 326 O MET A 36 91.551 52.746 20.369 1.00 31.19 O ATOM 327 CB MET A 36 90.603 52.302 17.134 1.00 27.31 C ATOM 328 CG MET A 36 90.344 53.794 17.343 1.00 32.28 C ATOM 329 SD MET A 36 90.154 54.718 15.800 1.00 35.23 S ATOM 330 CE MET A 36 91.736 54.417 15.014 1.00 36.32 C ATOM 331 H MET A 36 89.476 51.945 20.042 1.00 0.00 H ATOM 332 N ASN A 37 93.116 52.214 18.835 1.00 38.70 N ATOM 333 CA ASN A 37 94.212 52.884 19.521 1.00 45.96 C ATOM 334 C ASN A 37 94.470 54.223 18.842 1.00 46.09 C ATOM 335 O ASN A 37 94.697 54.274 17.628 1.00 43.41 O ATOM 336 CB ASN A 37 95.474 52.021 19.509 1.00 44.72 C ATOM 337 H ASN A 37 93.314 51.716 17.944 1.00 0.00 H ATOM 338 N LEU A 38 94.422 55.303 19.622 1.00 38.18 N ATOM 339 CA LEU A 38 94.722 56.635 19.125 1.00 43.30 C ATOM 340 C LEU A 38 95.756 57.294 20.025 1.00 41.91 C ATOM 341 O LEU A 38 95.694 57.146 21.252 1.00 46.08 O ATOM 342 CB LEU A 38 93.459 57.510 19.065 1.00 47.92 C ATOM 343 CG LEU A 38 92.616 57.458 17.789 1.00 44.13 C ATOM 344 CD1 LEU A 38 91.371 58.323 17.941 1.00 35.32 C ATOM 345 CD2 LEU A 38 93.418 57.906 16.574 1.00 39.97 C ATOM 346 H LEU A 38 94.160 55.188 20.622 1.00 0.00 H ATOM 347 N PRO A 39 96.713 58.023 19.459 1.00 49.44 N ATOM 348 CA PRO A 39 97.726 58.689 20.281 1.00 53.24 C ATOM 349 C PRO A 39 97.162 59.924 20.972 1.00 51.58 C ATOM 350 O PRO A 39 96.072 60.407 20.665 1.00 46.59 O ATOM 351 CB PRO A 39 98.810 59.067 19.267 1.00 56.13 C ATOM 352 CG PRO A 39 98.071 59.246 17.993 1.00 54.64 C ATOM 353 CD PRO A 39 96.934 58.259 18.020 1.00 46.42 C ATOM 354 N GLY A 40 97.938 60.433 21.927 1.00 65.83 N ATOM 355 CA GLY A 40 97.554 61.616 22.668 1.00 62.39 C ATOM 356 C GLY A 40 96.716 61.293 23.888 1.00 51.22 C ATOM 357 O GLY A 40 96.343 60.148 24.159 1.00 50.42 O ATOM 358 H GLY A 40 98.843 59.969 22.146 1.00 0.00 H ATOM 359 N ARG A 41 96.413 62.344 24.644 1.00 46.75 N ATOM 360 CA ARG A 41 95.629 62.201 25.859 1.00 48.35 C ATOM 361 C ARG A 41 94.152 62.011 25.526 1.00 54.10 C ATOM 362 O ARG A 41 93.671 62.395 24.456 1.00 46.94 O ATOM 363 CB ARG A 41 95.808 63.425 26.759 1.00 48.52 C ATOM 364 H ARG A 41 96.744 63.288 24.360 1.00 0.00 H ATOM 365 N TRP A 42 93.431 61.402 26.465 1.00 53.84 N ATOM 366 CA TRP A 42 92.000 61.188 26.317 1.00 42.76 C ATOM 367 C TRP A 42 91.343 61.305 27.684 1.00 47.03 C ATOM 368 O TRP A 42 91.994 61.160 28.722 1.00 54.27 O ATOM 369 CB TRP A 42 91.693 59.822 25.689 1.00 45.09 C ATOM 370 CG TRP A 42 92.251 58.663 26.459 1.00 46.25 C ATOM 371 CD1 TRP A 42 93.459 58.058 26.269 1.00 42.49 C ATOM 372 CD2 TRP A 42 91.621 57.968 27.542 1.00 44.49 C ATOM 373 NE1 TRP A 42 93.621 57.030 27.166 1.00 49.58 N ATOM 374 CE2 TRP A 42 92.506 56.954 27.960 1.00 50.76 C ATOM 375 CE3 TRP A 42 90.394 58.104 28.199 1.00 43.01 C ATOM 376 CZ2 TRP A 42 92.204 56.082 29.003 1.00 48.30 C ATOM 377 CZ3 TRP A 42 90.096 57.236 29.236 1.00 48.60 C ATOM 378 CH2 TRP A 42 90.997 56.239 29.627 1.00 44.34 C ATOM 379 HE1 TRP A 42 94.454 56.410 27.232 1.00 0.00 H ATOM 380 H TRP A 42 93.905 61.070 27.329 1.00 0.00 H ATOM 381 N LYS A 43 90.039 61.571 27.670 1.00 40.11 N ATOM 382 CA LYS A 43 89.266 61.708 28.891 1.00 34.29 C ATOM 383 C LYS A 43 88.073 60.762 28.852 1.00 28.83 C ATOM 384 O LYS A 43 87.434 60.617 27.804 1.00 24.13 O ATOM 385 CB LYS A 43 88.777 63.153 29.070 1.00 30.53 C ATOM 386 H LYS A 43 89.558 61.684 26.755 1.00 0.00 H ATOM 387 N PRO A 44 87.747 60.105 29.966 1.00 31.56 N ATOM 388 CA PRO A 44 86.574 59.220 29.976 1.00 33.41 C ATOM 389 C PRO A 44 85.287 60.030 30.011 1.00 32.21 C ATOM 390 O PRO A 44 85.153 60.973 30.794 1.00 29.09 O ATOM 391 CB PRO A 44 86.760 58.397 31.254 1.00 31.94 C ATOM 392 CG PRO A 44 87.525 59.299 32.158 1.00 33.33 C ATOM 393 CD PRO A 44 88.429 60.121 31.274 1.00 30.64 C ATOM 394 N LYS A 45 84.338 59.652 29.156 1.00 25.60 N ATOM 395 CA LYS A 45 83.055 60.332 29.069 1.00 22.85 C ATOM 396 C LYS A 45 81.952 59.301 28.881 1.00 26.05 C ATOM 397 O LYS A 45 82.207 58.106 28.709 1.00 23.72 O ATOM 398 CB LYS A 45 83.036 61.350 27.922 1.00 25.78 C ATOM 399 H LYS A 45 84.521 58.843 28.529 1.00 0.00 H ATOM 400 N MET A 46 80.711 59.783 28.917 1.00 26.54 N ATOM 401 CA MET A 46 79.529 58.957 28.722 1.00 28.87 C ATOM 402 C MET A 46 78.673 59.559 27.617 1.00 26.95 C ATOM 403 O MET A 46 78.513 60.781 27.544 1.00 26.65 O ATOM 404 CB MET A 46 78.708 58.856 30.014 1.00 28.15 C ATOM 405 CG MET A 46 79.468 58.281 31.203 1.00 33.93 C ATOM 406 SD MET A 46 79.540 56.481 31.201 1.00 37.42 S ATOM 407 CE MET A 46 77.825 56.074 31.524 1.00 33.95 C ATOM 408 H MET A 46 80.580 60.800 29.093 1.00 0.00 H ATOM 409 N ILE A 47 78.129 58.699 26.754 1.00 22.89 N ATOM 410 CA ILE A 47 77.199 59.110 25.707 1.00 26.96 C ATOM 411 C ILE A 47 76.004 58.171 25.713 1.00 17.37 C ATOM 412 O ILE A 47 76.127 56.976 26.007 1.00 21.68 O ATOM 413 CB ILE A 47 77.852 59.124 24.306 1.00 28.27 C ATOM 414 CG1 ILE A 47 78.687 57.859 24.096 1.00 23.19 C ATOM 415 CG2 ILE A 47 78.683 60.377 24.111 1.00 37.18 C ATOM 416 CD1 ILE A 47 78.877 57.496 22.644 1.00 35.81 C ATOM 417 H ILE A 47 78.378 57.692 26.831 1.00 0.00 H ATOM 418 N GLY A 48 74.848 58.714 25.368 1.00 17.59 N ATOM 419 CA GLY A 48 73.601 57.967 25.366 1.00 23.97 C ATOM 420 C GLY A 48 73.037 57.897 23.962 1.00 22.66 C ATOM 421 O GLY A 48 73.011 58.900 23.244 1.00 24.30 O ATOM 422 H GLY A 48 74.831 59.715 25.087 1.00 0.00 H ATOM 423 N GLY A 49 72.599 56.703 23.574 1.00 17.71 N ATOM 424 CA GLY A 49 71.906 56.495 22.320 1.00 19.99 C ATOM 425 C GLY A 49 70.499 55.975 22.543 1.00 21.49 C ATOM 426 O GLY A 49 69.913 56.200 23.607 1.00 16.63 O ATOM 427 H GLY A 49 72.761 55.886 24.196 1.00 0.00 H ATOM 428 N ILE A 50 69.949 55.260 21.558 1.00 15.29 N ATOM 429 CA ILE A 50 68.562 54.813 21.653 1.00 19.48 C ATOM 430 C ILE A 50 68.387 53.767 22.749 1.00 19.94 C ATOM 431 O ILE A 50 67.305 53.655 23.338 1.00 23.29 O ATOM 432 CB ILE A 50 68.080 54.284 20.288 1.00 19.64 C ATOM 433 CG1 ILE A 50 66.551 54.235 20.248 1.00 20.56 C ATOM 434 CG2 ILE A 50 68.672 52.908 19.996 1.00 20.23 C ATOM 435 CD1 ILE A 50 65.980 54.040 18.859 1.00 18.56 C ATOM 436 H ILE A 50 70.512 55.020 20.717 1.00 0.00 H ATOM 437 N GLY A 51 69.428 52.989 23.045 1.00 22.06 N ATOM 438 CA GLY A 51 69.329 51.893 23.989 1.00 21.39 C ATOM 439 C GLY A 51 69.953 52.122 25.346 1.00 21.07 C ATOM 440 O GLY A 51 69.958 51.197 26.168 1.00 22.62 O ATOM 441 H GLY A 51 70.341 53.174 22.584 1.00 0.00 H ATOM 442 N GLY A 52 70.476 53.315 25.626 1.00 22.38 N ATOM 443 CA GLY A 52 71.092 53.590 26.903 1.00 23.11 C ATOM 444 C GLY A 52 72.396 54.330 26.723 1.00 21.60 C ATOM 445 O GLY A 52 72.644 54.950 25.683 1.00 18.38 O ATOM 446 H GLY A 52 70.440 54.066 24.908 1.00 0.00 H ATOM 447 N PHE A 53 73.241 54.251 27.748 1.00 21.44 N ATOM 448 CA PHE A 53 74.494 54.986 27.799 1.00 20.53 C ATOM 449 C PHE A 53 75.673 54.024 27.803 1.00 18.60 C ATOM 450 O PHE A 53 75.593 52.920 28.350 1.00 19.41 O ATOM 451 CB PHE A 53 74.556 55.881 29.044 1.00 21.97 C ATOM 452 CG PHE A 53 73.638 57.068 28.983 1.00 24.15 C ATOM 453 CD1 PHE A 53 72.267 56.909 29.095 1.00 22.51 C ATOM 454 CD2 PHE A 53 74.148 58.344 28.817 1.00 26.22 C ATOM 455 CE1 PHE A 53 71.421 58.002 29.038 1.00 27.90 C ATOM 456 CE2 PHE A 53 73.308 59.440 28.761 1.00 26.42 C ATOM 457 CZ PHE A 53 71.943 59.268 28.871 1.00 31.62 C ATOM 458 H PHE A 53 72.994 53.635 28.549 1.00 0.00 H ATOM 459 N ILE A 54 76.774 54.459 27.187 1.00 19.14 N ATOM 460 CA ILE A 54 78.003 53.680 27.138 1.00 22.22 C ATOM 461 C ILE A 54 79.164 54.556 27.588 1.00 22.08 C ATOM 462 O ILE A 54 79.096 55.786 27.563 1.00 21.02 O ATOM 463 CB ILE A 54 78.287 53.103 25.730 1.00 21.73 C ATOM 464 CG1 ILE A 54 78.447 54.222 24.695 1.00 19.78 C ATOM 465 CG2 ILE A 54 77.172 52.153 25.320 1.00 19.36 C ATOM 466 CD1 ILE A 54 78.999 53.742 23.362 1.00 23.46 C ATOM 467 H ILE A 54 76.753 55.390 26.724 1.00 0.00 H ATOM 468 N LYS A 55 80.242 53.896 28.004 1.00 20.87 N ATOM 469 CA LYS A 55 81.477 54.577 28.360 1.00 23.89 C ATOM 470 C LYS A 55 82.375 54.672 27.135 1.00 21.87 C ATOM 471 O LYS A 55 82.532 53.701 26.388 1.00 23.34 O ATOM 472 CB LYS A 55 82.199 53.837 29.489 1.00 20.83 C ATOM 473 H LYS A 55 80.200 52.859 28.077 1.00 0.00 H ATOM 474 N VAL A 56 82.962 55.852 26.931 1.00 21.42 N ATOM 475 CA VAL A 56 83.813 56.111 25.778 1.00 20.53 C ATOM 476 C VAL A 56 85.035 56.902 26.221 1.00 27.33 C ATOM 477 O VAL A 56 85.054 57.522 27.286 1.00 27.40 O ATOM 478 CB VAL A 56 83.072 56.881 24.661 1.00 26.77 C ATOM 479 CG1 VAL A 56 81.868 56.095 24.182 1.00 19.25 C ATOM 480 CG2 VAL A 56 82.648 58.268 25.142 1.00 23.95 C ATOM 481 H VAL A 56 82.806 56.615 27.620 1.00 0.00 H ATOM 482 N ARG A 57 86.063 56.869 25.380 1.00 22.82 N ATOM 483 CA ARG A 57 87.241 57.709 25.537 1.00 24.19 C ATOM 484 C ARG A 57 87.147 58.874 24.561 1.00 22.96 C ATOM 485 O ARG A 57 86.952 58.668 23.359 1.00 18.40 O ATOM 486 CB ARG A 57 88.520 56.909 25.283 1.00 27.80 C ATOM 487 CG ARG A 57 88.591 55.589 26.044 1.00 37.74 C ATOM 488 CD ARG A 57 89.986 54.977 25.986 1.00 38.30 C ATOM 489 NE ARG A 57 90.598 55.103 24.665 1.00 46.01 N ATOM 490 CZ ARG A 57 90.587 54.165 23.720 1.00 53.46 C ATOM 491 NH1 ARG A 57 91.180 54.401 22.558 1.00 47.22 N ATOM 492 NH2 ARG A 57 89.994 52.995 23.921 1.00 43.77 N ATOM 493 HE ARG A 57 91.081 55.997 24.445 1.00 0.00 H ATOM 494 HH12 ARG A 57 91.176 53.674 21.815 1.00 0.00 H ATOM 495 HH11 ARG A 57 91.649 55.314 22.390 1.00 0.00 H ATOM 496 HH22 ARG A 57 89.996 52.275 23.170 1.00 0.00 H ATOM 497 HH21 ARG A 57 89.527 52.798 24.829 1.00 0.00 H ATOM 498 H ARG A 57 86.024 56.214 24.573 1.00 0.00 H ATOM 499 N GLN A 58 87.273 60.092 25.079 1.00 21.04 N ATOM 500 CA GLN A 58 87.129 61.298 24.274 1.00 19.45 C ATOM 501 C GLN A 58 88.504 61.773 23.823 1.00 28.68 C ATOM 502 O GLN A 58 89.387 62.012 24.655 1.00 25.56 O ATOM 503 CB GLN A 58 86.410 62.396 25.057 1.00 20.65 C ATOM 504 CG GLN A 58 86.339 63.723 24.317 1.00 26.45 C ATOM 505 CD GLN A 58 85.472 64.744 25.025 1.00 23.79 C ATOM 506 OE1 GLN A 58 84.618 64.393 25.838 1.00 26.00 O ATOM 507 NE2 GLN A 58 85.689 66.018 24.719 1.00 27.76 N ATOM 508 HE22 GLN A 58 86.422 66.269 24.025 1.00 0.00 H ATOM 509 HE21 GLN A 58 85.126 66.765 25.173 1.00 0.00 H ATOM 510 H GLN A 58 87.481 60.187 26.093 1.00 0.00 H ATOM 511 N TYR A 59 88.677 61.910 22.511 1.00 22.16 N ATOM 512 CA TYR A 59 89.895 62.442 21.912 1.00 21.09 C ATOM 513 C TYR A 59 89.559 63.767 21.242 1.00 26.17 C ATOM 514 O TYR A 59 88.667 63.824 20.388 1.00 24.96 O ATOM 515 CB TYR A 59 90.483 61.463 20.895 1.00 27.72 C ATOM 516 CG TYR A 59 90.989 60.171 21.493 1.00 30.65 C ATOM 517 CD1 TYR A 59 90.125 59.116 21.758 1.00 29.63 C ATOM 518 CD2 TYR A 59 92.335 60.002 21.783 1.00 34.59 C ATOM 519 CE1 TYR A 59 90.587 57.935 22.301 1.00 30.13 C ATOM 520 CE2 TYR A 59 92.807 58.825 22.324 1.00 36.58 C ATOM 521 CZ TYR A 59 91.930 57.794 22.582 1.00 40.09 C ATOM 522 OH TYR A 59 92.398 56.619 23.123 1.00 41.72 O ATOM 523 HH TYR A 59 91.644 55.989 23.244 1.00 0.00 H ATOM 524 H TYR A 59 87.902 61.622 21.879 1.00 0.00 H ATOM 525 N ASP A 60 90.265 64.824 21.627 1.00 26.38 N ATOM 526 CA ASP A 60 90.017 66.158 21.102 1.00 24.13 C ATOM 527 C ASP A 60 91.033 66.520 20.025 1.00 26.36 C ATOM 528 O ASP A 60 92.166 66.032 20.021 1.00 20.97 O ATOM 529 CB ASP A 60 90.063 67.196 22.224 1.00 26.69 C ATOM 530 CG ASP A 60 88.900 67.066 23.185 1.00 32.42 C ATOM 531 OD1 ASP A 60 87.795 66.696 22.735 1.00 26.66 O ATOM 532 OD2 ASP A 60 89.089 67.335 24.389 1.00 40.48 O ATOM 533 H ASP A 60 91.022 64.694 22.328 1.00 0.00 H ATOM 534 N GLN A 61 90.608 67.391 19.110 1.00 26.18 N ATOM 535 CA GLN A 61 91.469 67.924 18.055 1.00 26.26 C ATOM 536 C GLN A 61 92.181 66.806 17.293 1.00 30.17 C ATOM 537 O GLN A 61 93.396 66.833 17.081 1.00 26.18 O ATOM 538 CB GLN A 61 92.471 68.923 18.637 1.00 29.09 C ATOM 539 CG GLN A 61 92.075 70.373 18.422 1.00 33.23 C ATOM 540 CD GLN A 61 92.843 71.330 19.311 1.00 36.60 C ATOM 541 OE1 GLN A 61 92.401 71.663 20.410 1.00 52.00 O ATOM 542 NE2 GLN A 61 93.997 71.785 18.836 1.00 37.93 N ATOM 543 HE22 GLN A 61 94.332 71.476 17.901 1.00 0.00 H ATOM 544 HE21 GLN A 61 94.565 72.450 19.399 1.00 0.00 H ATOM 545 H GLN A 61 89.618 67.706 19.148 1.00 0.00 H ATOM 546 N ILE A 62 91.400 65.818 16.861 1.00 21.99 N ATOM 547 CA ILE A 62 91.907 64.680 16.104 1.00 24.17 C ATOM 548 C ILE A 62 91.675 64.943 14.625 1.00 22.58 C ATOM 549 O ILE A 62 90.565 65.309 14.218 1.00 20.42 O ATOM 550 CB ILE A 62 91.221 63.372 16.537 1.00 22.98 C ATOM 551 CG1 ILE A 62 91.506 63.073 18.011 1.00 27.55 C ATOM 552 CG2 ILE A 62 91.662 62.201 15.652 1.00 25.93 C ATOM 553 CD1 ILE A 62 92.962 62.782 18.330 1.00 33.09 C ATOM 554 H ILE A 62 90.383 65.860 17.073 1.00 0.00 H ATOM 555 N LEU A 63 92.714 64.753 13.818 1.00 19.52 N ATOM 556 CA LEU A 63 92.570 64.859 12.374 1.00 19.81 C ATOM 557 C LEU A 63 91.865 63.616 11.848 1.00 23.76 C ATOM 558 O LEU A 63 92.230 62.488 12.194 1.00 24.00 O ATOM 559 CB LEU A 63 93.936 65.029 11.708 1.00 28.62 C ATOM 560 CG LEU A 63 94.015 65.173 10.180 1.00 45.02 C ATOM 561 CD1 LEU A 63 94.004 63.817 9.467 1.00 37.80 C ATOM 562 CD2 LEU A 63 92.914 66.082 9.627 1.00 42.65 C ATOM 563 H LEU A 63 93.644 64.525 14.225 1.00 0.00 H ATOM 564 N ILE A 64 90.852 63.824 11.015 1.00 21.25 N ATOM 565 CA ILE A 64 90.101 62.727 10.415 1.00 24.15 C ATOM 566 C ILE A 64 89.599 63.188 9.055 1.00 25.09 C ATOM 567 O ILE A 64 88.982 64.252 8.939 1.00 28.88 O ATOM 568 CB ILE A 64 88.938 62.275 11.323 1.00 30.71 C ATOM 569 CG1 ILE A 64 88.024 61.294 10.587 1.00 26.54 C ATOM 570 CG2 ILE A 64 88.150 63.479 11.821 1.00 24.69 C ATOM 571 CD1 ILE A 64 87.053 60.573 11.499 1.00 28.58 C ATOM 572 H ILE A 64 90.585 64.802 10.783 1.00 0.00 H ATOM 573 N GLU A 65 89.873 62.392 8.026 1.00 20.97 N ATOM 574 CA GLU A 65 89.479 62.708 6.660 1.00 24.69 C ATOM 575 C GLU A 65 88.281 61.846 6.282 1.00 24.75 C ATOM 576 O GLU A 65 88.359 60.614 6.330 1.00 27.29 O ATOM 577 CB GLU A 65 90.638 62.478 5.691 1.00 27.64 C ATOM 578 CG GLU A 65 90.398 63.031 4.295 1.00 30.10 C ATOM 579 CD GLU A 65 91.630 62.941 3.415 1.00 36.59 C ATOM 580 OE1 GLU A 65 92.678 62.473 3.905 1.00 39.14 O ATOM 581 OE2 GLU A 65 91.550 63.340 2.234 1.00 38.55 O ATOM 582 H GLU A 65 90.390 61.507 8.204 1.00 0.00 H ATOM 583 N ILE A 66 87.181 62.493 5.910 1.00 21.03 N ATOM 584 CA ILE A 66 85.933 61.816 5.576 1.00 23.16 C ATOM 585 C ILE A 66 85.710 61.977 4.079 1.00 22.85 C ATOM 586 O ILE A 66 85.468 63.089 3.594 1.00 27.84 O ATOM 587 CB ILE A 66 84.751 62.380 6.376 1.00 19.91 C ATOM 588 CG1 ILE A 66 84.986 62.203 7.879 1.00 25.35 C ATOM 589 CG2 ILE A 66 83.450 61.692 5.975 1.00 20.03 C ATOM 590 CD1 ILE A 66 84.399 63.309 8.719 1.00 28.00 C ATOM 591 H ILE A 66 87.212 63.531 5.854 1.00 0.00 H ATOM 592 N CYS A 67 85.787 60.868 3.346 1.00 26.67 N ATOM 593 CA CYS A 67 85.502 60.854 1.913 1.00 29.25 C ATOM 594 C CYS A 67 86.269 61.964 1.193 1.00 30.07 C ATOM 595 O CYS A 67 85.725 62.697 0.364 1.00 34.83 O ATOM 596 CB CYS A 67 83.996 60.978 1.667 1.00 30.16 C ATOM 597 SG CYS A 67 83.439 60.357 0.065 1.00 41.92 S ATOM 598 H CYS A 67 86.060 59.979 3.811 1.00 0.00 H ATOM 599 N GLY A 68 87.553 62.085 1.522 1.00 29.97 N ATOM 600 CA GLY A 68 88.410 63.071 0.894 1.00 32.23 C ATOM 601 C GLY A 68 88.269 64.484 1.412 1.00 33.55 C ATOM 602 O GLY A 68 88.772 65.412 0.768 1.00 34.31 O ATOM 603 H GLY A 68 87.952 61.456 2.248 1.00 0.00 H ATOM 604 N HIS A 69 87.610 64.683 2.550 1.00 28.12 N ATOM 605 CA HIS A 69 87.441 66.002 3.147 1.00 24.96 C ATOM 606 C HIS A 69 88.014 65.978 4.556 1.00 26.74 C ATOM 607 O HIS A 69 87.633 65.132 5.372 1.00 25.09 O ATOM 608 CB HIS A 69 85.965 66.414 3.170 1.00 30.47 C ATOM 609 CG HIS A 69 85.398 66.704 1.814 1.00 33.09 C ATOM 610 ND1 HIS A 69 85.036 67.973 1.415 1.00 32.40 N ATOM 611 CD2 HIS A 69 85.133 65.890 0.765 1.00 33.48 C ATOM 612 CE1 HIS A 69 84.571 67.928 0.179 1.00 29.77 C ATOM 613 NE2 HIS A 69 84.620 66.676 -0.239 1.00 34.93 N ATOM 614 H HIS A 69 87.197 63.861 3.035 1.00 0.00 H ATOM 615 N LYS A 70 88.927 66.903 4.836 1.00 27.30 N ATOM 616 CA LYS A 70 89.624 66.921 6.112 1.00 29.47 C ATOM 617 C LYS A 70 88.788 67.596 7.192 1.00 27.57 C ATOM 618 O LYS A 70 88.049 68.552 6.937 1.00 23.93 O ATOM 619 CB LYS A 70 90.967 67.641 5.978 1.00 33.35 C ATOM 620 CG LYS A 70 92.028 66.848 5.228 1.00 43.19 C ATOM 621 CD LYS A 70 93.356 67.588 5.210 1.00 50.97 C ATOM 622 CE LYS A 70 94.535 66.628 5.262 1.00 52.32 C ATOM 623 NZ LYS A 70 94.582 65.714 4.089 1.00 59.17 N ATOM 624 HZ1 LYS A 70 93.710 65.148 4.057 1.00 0.00 H ATOM 625 HZ2 LYS A 70 94.665 66.275 3.217 1.00 0.00 H ATOM 626 HZ3 LYS A 70 95.404 65.083 4.176 1.00 0.00 H ATOM 627 H LYS A 70 89.148 67.630 4.126 1.00 0.00 H ATOM 628 N ALA A 71 88.917 67.082 8.413 1.00 21.44 N ATOM 629 CA ALA A 71 88.263 67.653 9.579 1.00 23.21 C ATOM 630 C ALA A 71 89.159 67.439 10.789 1.00 21.49 C ATOM 631 O ALA A 71 89.939 66.484 10.839 1.00 21.46 O ATOM 632 CB ALA A 71 86.884 67.024 9.817 1.00 21.69 C ATOM 633 H ALA A 71 89.510 66.237 8.538 1.00 0.00 H ATOM 634 N ILE A 72 89.046 68.342 11.761 1.00 18.07 N ATOM 635 CA ILE A 72 89.792 68.259 13.012 1.00 16.43 C ATOM 636 C ILE A 72 88.807 68.547 14.134 1.00 22.35 C ATOM 637 O ILE A 72 88.367 69.691 14.300 1.00 20.43 O ATOM 638 CB ILE A 72 90.973 69.239 13.061 1.00 20.20 C ATOM 639 CG1 ILE A 72 91.898 69.025 11.861 1.00 19.71 C ATOM 640 CG2 ILE A 72 91.741 69.072 14.374 1.00 21.70 C ATOM 641 CD1 ILE A 72 93.016 70.048 11.747 1.00 24.15 C ATOM 642 H ILE A 72 88.397 69.142 11.622 1.00 0.00 H ATOM 643 N GLY A 73 88.466 67.524 14.909 1.00 18.88 N ATOM 644 CA GLY A 73 87.481 67.698 15.950 1.00 19.95 C ATOM 645 C GLY A 73 87.517 66.573 16.958 1.00 23.91 C ATOM 646 O GLY A 73 88.466 65.789 17.015 1.00 21.04 O ATOM 647 H GLY A 73 88.910 66.595 14.766 1.00 0.00 H ATOM 648 N THR A 74 86.457 66.508 17.759 1.00 22.67 N ATOM 649 CA THR A 74 86.370 65.526 18.828 1.00 19.01 C ATOM 650 C THR A 74 85.909 64.182 18.280 1.00 22.72 C ATOM 651 O THR A 74 84.995 64.108 17.454 1.00 17.75 O ATOM 652 CB THR A 74 85.412 66.013 19.919 1.00 22.54 C ATOM 653 OG1 THR A 74 85.903 67.241 20.469 1.00 25.20 O ATOM 654 CG2 THR A 74 85.279 64.988 21.038 1.00 22.61 C ATOM 655 HG1 THR A 74 86.801 67.091 20.859 1.00 0.00 H ATOM 656 H THR A 74 85.672 67.175 17.617 1.00 0.00 H ATOM 657 N VAL A 75 86.559 63.118 18.743 1.00 23.26 N ATOM 658 CA VAL A 75 86.225 61.751 18.363 1.00 20.11 C ATOM 659 C VAL A 75 86.063 60.937 19.636 1.00 25.71 C ATOM 660 O VAL A 75 86.970 60.903 20.476 1.00 21.27 O ATOM 661 CB VAL A 75 87.302 61.129 17.453 1.00 18.46 C ATOM 662 CG1 VAL A 75 87.013 59.653 17.186 1.00 24.73 C ATOM 663 CG2 VAL A 75 87.394 61.894 16.141 1.00 19.83 C ATOM 664 H VAL A 75 87.344 63.269 19.409 1.00 0.00 H ATOM 665 N LEU A 76 84.912 60.291 19.780 1.00 15.53 N ATOM 666 CA LEU A 76 84.652 59.393 20.894 1.00 16.85 C ATOM 667 C LEU A 76 84.899 57.957 20.454 1.00 20.13 C ATOM 668 O LEU A 76 84.488 57.554 19.363 1.00 20.88 O ATOM 669 CB LEU A 76 83.216 59.552 21.393 1.00 24.48 C ATOM 670 CG LEU A 76 82.789 60.992 21.683 1.00 18.75 C ATOM 671 CD1 LEU A 76 81.334 61.045 22.095 1.00 19.07 C ATOM 672 CD2 LEU A 76 83.662 61.618 22.758 1.00 17.83 C ATOM 673 H LEU A 76 84.167 60.433 19.068 1.00 0.00 H ATOM 674 N VAL A 77 85.576 57.192 21.306 1.00 16.60 N ATOM 675 CA VAL A 77 85.956 55.815 21.009 1.00 15.33 C ATOM 676 C VAL A 77 85.349 54.922 22.080 1.00 17.44 C ATOM 677 O VAL A 77 85.593 55.122 23.276 1.00 21.29 O ATOM 678 CB VAL A 77 87.483 55.643 20.950 1.00 22.63 C ATOM 679 CG1 VAL A 77 87.854 54.190 20.655 1.00 22.22 C ATOM 680 CG2 VAL A 77 88.081 56.565 19.897 1.00 25.53 C ATOM 681 H VAL A 77 85.847 57.594 22.226 1.00 0.00 H ATOM 682 N GLY A 78 84.564 53.937 21.652 1.00 25.54 N ATOM 683 CA GLY A 78 83.927 53.029 22.574 1.00 21.40 C ATOM 684 C GLY A 78 83.089 51.979 21.877 1.00 14.97 C ATOM 685 O GLY A 78 83.110 51.842 20.650 1.00 19.60 O ATOM 686 H GLY A 78 84.406 53.819 20.631 1.00 0.00 H ATOM 687 N PRO A 79 82.322 51.217 22.659 1.00 25.63 N ATOM 688 CA PRO A 79 81.540 50.090 22.116 1.00 19.09 C ATOM 689 C PRO A 79 80.280 50.537 21.377 1.00 21.31 C ATOM 690 O PRO A 79 79.150 50.210 21.753 1.00 19.60 O ATOM 691 CB PRO A 79 81.228 49.275 23.378 1.00 23.97 C ATOM 692 CG PRO A 79 81.168 50.288 24.467 1.00 26.90 C ATOM 693 CD PRO A 79 82.209 51.315 24.125 1.00 21.63 C ATOM 694 N THR A 80 80.474 51.297 20.291 1.00 23.21 N ATOM 695 CA THR A 80 79.355 51.650 19.432 1.00 16.02 C ATOM 696 C THR A 80 79.090 50.534 18.425 1.00 19.59 C ATOM 697 O THR A 80 80.022 49.855 17.985 1.00 21.76 O ATOM 698 CB THR A 80 79.636 52.956 18.687 1.00 20.27 C ATOM 699 OG1 THR A 80 78.536 53.262 17.823 1.00 17.95 O ATOM 700 CG2 THR A 80 80.914 52.860 17.851 1.00 17.52 C ATOM 701 HG1 THR A 80 78.418 52.528 17.169 1.00 0.00 H ATOM 702 H THR A 80 81.430 51.636 20.061 1.00 0.00 H ATOM 703 N PRO A 81 77.829 50.304 18.045 1.00 18.09 N ATOM 704 CA PRO A 81 77.548 49.232 17.074 1.00 15.38 C ATOM 705 C PRO A 81 78.232 49.426 15.733 1.00 19.90 C ATOM 706 O PRO A 81 78.454 48.438 15.023 1.00 14.55 O ATOM 707 CB PRO A 81 76.018 49.271 16.935 1.00 22.67 C ATOM 708 CG PRO A 81 75.606 50.604 17.453 1.00 25.93 C ATOM 709 CD PRO A 81 76.596 50.954 18.515 1.00 17.23 C ATOM 710 N ILE A 82 78.574 50.660 15.364 1.00 14.38 N ATOM 711 CA ILE A 82 79.207 50.937 14.080 1.00 13.73 C ATOM 712 C ILE A 82 79.852 52.311 14.168 1.00 18.58 C ATOM 713 O ILE A 82 79.405 53.173 14.929 1.00 16.61 O ATOM 714 CB ILE A 82 78.178 50.859 12.922 1.00 15.32 C ATOM 715 CG1 ILE A 82 78.879 51.009 11.569 1.00 19.49 C ATOM 716 CG2 ILE A 82 77.096 51.928 13.099 1.00 19.34 C ATOM 717 CD1 ILE A 82 77.977 50.780 10.367 1.00 24.80 C ATOM 718 H ILE A 82 78.383 51.450 16.012 1.00 0.00 H ATOM 719 N ASN A 83 80.915 52.512 13.390 1.00 17.69 N ATOM 720 CA ASN A 83 81.513 53.836 13.274 1.00 18.67 C ATOM 721 C ASN A 83 80.486 54.812 12.720 1.00 13.49 C ATOM 722 O ASN A 83 79.926 54.589 11.642 1.00 13.32 O ATOM 723 CB ASN A 83 82.739 53.792 12.360 1.00 18.62 C ATOM 724 CG ASN A 83 83.851 52.915 12.902 1.00 16.86 C ATOM 725 OD1 ASN A 83 84.112 52.885 14.104 1.00 16.44 O ATOM 726 ND2 ASN A 83 84.524 52.203 12.006 1.00 21.01 N ATOM 727 HD22 ASN A 83 84.269 52.259 10.999 1.00 0.00 H ATOM 728 HD21 ASN A 83 85.306 51.589 12.311 1.00 0.00 H ATOM 729 H ASN A 83 81.322 51.715 12.860 1.00 0.00 H ATOM 730 N ILE A 84 80.240 55.898 13.448 1.00 13.06 N ATOM 731 CA ILE A 84 79.276 56.907 13.031 1.00 10.18 C ATOM 732 C ILE A 84 79.957 58.267 13.008 1.00 12.68 C ATOM 733 O ILE A 84 80.694 58.620 13.935 1.00 13.93 O ATOM 734 CB ILE A 84 78.035 56.929 13.949 1.00 15.51 C ATOM 735 CG1 ILE A 84 78.431 57.214 15.401 1.00 19.38 C ATOM 736 CG2 ILE A 84 77.292 55.604 13.838 1.00 14.11 C ATOM 737 CD1 ILE A 84 77.253 57.363 16.348 1.00 16.86 C ATOM 738 H ILE A 84 80.752 56.031 14.343 1.00 0.00 H ATOM 739 N ILE A 85 79.709 59.023 11.942 1.00 16.85 N ATOM 740 CA ILE A 85 80.200 60.388 11.798 1.00 12.75 C ATOM 741 C ILE A 85 79.044 61.308 12.164 1.00 15.18 C ATOM 742 O ILE A 85 78.008 61.321 11.488 1.00 14.34 O ATOM 743 CB ILE A 85 80.709 60.667 10.376 1.00 16.54 C ATOM 744 CG1 ILE A 85 81.763 59.633 9.958 1.00 14.66 C ATOM 745 CG2 ILE A 85 81.277 62.081 10.277 1.00 15.25 C ATOM 746 CD1 ILE A 85 82.974 59.559 10.873 1.00 15.91 C ATOM 747 H ILE A 85 79.136 58.620 11.173 1.00 0.00 H ATOM 748 N GLY A 86 79.219 62.075 13.239 1.00 13.42 N ATOM 749 CA GLY A 86 78.174 62.939 13.743 1.00 14.76 C ATOM 750 C GLY A 86 78.311 64.372 13.258 1.00 10.83 C ATOM 751 O GLY A 86 79.231 64.737 12.527 1.00 11.02 O ATOM 752 H GLY A 86 80.135 62.052 13.731 1.00 0.00 H ATOM 753 N ARG A 87 77.363 65.201 13.700 1.00 14.20 N ATOM 754 CA ARG A 87 77.256 66.558 13.179 1.00 14.33 C ATOM 755 C ARG A 87 78.486 67.396 13.502 1.00 14.58 C ATOM 756 O ARG A 87 78.799 68.341 12.767 1.00 14.27 O ATOM 757 CB ARG A 87 75.995 67.228 13.725 1.00 10.98 C ATOM 758 CG ARG A 87 74.709 66.658 13.149 1.00 10.44 C ATOM 759 CD ARG A 87 73.482 67.450 13.581 1.00 10.73 C ATOM 760 NE ARG A 87 73.313 67.455 15.032 1.00 13.10 N ATOM 761 CZ ARG A 87 73.684 68.444 15.844 1.00 14.74 C ATOM 762 NH1 ARG A 87 74.252 69.544 15.368 1.00 15.08 N ATOM 763 NH2 ARG A 87 73.485 68.330 17.149 1.00 12.70 N ATOM 764 HE ARG A 87 72.868 66.621 15.465 1.00 0.00 H ATOM 765 HH12 ARG A 87 74.535 70.306 16.017 1.00 0.00 H ATOM 766 HH11 ARG A 87 74.414 69.645 14.346 1.00 0.00 H ATOM 767 HH22 ARG A 87 73.772 69.099 17.788 1.00 0.00 H ATOM 768 HH21 ARG A 87 73.041 67.472 17.534 1.00 0.00 H ATOM 769 H ARG A 87 76.693 64.875 14.425 1.00 0.00 H ATOM 770 N ASN A 88 79.200 67.077 14.584 1.00 13.52 N ATOM 771 CA ASN A 88 80.373 67.874 14.931 1.00 15.45 C ATOM 772 C ASN A 88 81.409 67.848 13.814 1.00 13.64 C ATOM 773 O ASN A 88 82.143 68.826 13.626 1.00 13.92 O ATOM 774 CB ASN A 88 80.984 67.384 16.245 1.00 13.79 C ATOM 775 CG ASN A 88 81.672 66.038 16.109 1.00 14.19 C ATOM 776 OD1 ASN A 88 81.094 65.077 15.605 1.00 13.06 O ATOM 777 ND2 ASN A 88 82.918 65.969 16.553 1.00 13.42 N ATOM 778 HD22 ASN A 88 83.368 66.808 16.972 1.00 0.00 H ATOM 779 HD21 ASN A 88 83.447 65.076 16.482 1.00 0.00 H ATOM 780 H ASN A 88 78.923 66.267 15.175 1.00 0.00 H ATOM 781 N LEU A 89 81.473 66.753 13.057 1.00 13.91 N ATOM 782 CA LEU A 89 82.363 66.653 11.906 1.00 14.82 C ATOM 783 C LEU A 89 81.655 66.881 10.580 1.00 13.26 C ATOM 784 O LEU A 89 82.273 67.405 9.646 1.00 15.78 O ATOM 785 CB LEU A 89 83.041 65.278 11.875 1.00 16.04 C ATOM 786 CG LEU A 89 83.902 64.909 13.086 1.00 18.98 C ATOM 787 CD1 LEU A 89 84.571 63.559 12.869 1.00 21.11 C ATOM 788 CD2 LEU A 89 84.947 65.977 13.370 1.00 20.05 C ATOM 789 H LEU A 89 80.867 65.942 13.295 1.00 0.00 H ATOM 790 N LEU A 90 80.379 66.501 10.468 1.00 12.76 N ATOM 791 CA LEU A 90 79.648 66.743 9.229 1.00 13.54 C ATOM 792 C LEU A 90 79.636 68.227 8.883 1.00 17.03 C ATOM 793 O LEU A 90 79.759 68.602 7.710 1.00 16.14 O ATOM 794 CB LEU A 90 78.219 66.212 9.346 1.00 9.78 C ATOM 795 CG LEU A 90 78.035 64.702 9.520 1.00 15.29 C ATOM 796 CD1 LEU A 90 76.562 64.379 9.684 1.00 14.04 C ATOM 797 CD2 LEU A 90 78.624 63.932 8.349 1.00 19.76 C ATOM 798 H LEU A 90 79.906 66.031 11.266 1.00 0.00 H ATOM 799 N THR A 91 79.485 69.088 9.891 1.00 14.32 N ATOM 800 CA THR A 91 79.521 70.525 9.644 1.00 14.51 C ATOM 801 C THR A 91 80.870 70.949 9.077 1.00 15.66 C ATOM 802 O THR A 91 80.937 71.815 8.197 1.00 19.73 O ATOM 803 CB THR A 91 79.223 71.293 10.933 1.00 15.52 C ATOM 804 OG1 THR A 91 80.129 70.881 11.964 1.00 21.12 O ATOM 805 CG2 THR A 91 77.790 71.053 11.391 1.00 17.44 C ATOM 806 HG1 THR A 91 80.021 69.911 12.128 1.00 0.00 H ATOM 807 H THR A 91 79.341 68.733 10.858 1.00 0.00 H ATOM 808 N GLN A 92 81.957 70.345 9.564 1.00 16.58 N ATOM 809 CA GLN A 92 83.286 70.748 9.117 1.00 16.32 C ATOM 810 C GLN A 92 83.500 70.453 7.638 1.00 19.95 C ATOM 811 O GLN A 92 84.216 71.196 6.959 1.00 21.89 O ATOM 812 CB GLN A 92 84.360 70.052 9.954 1.00 17.26 C ATOM 813 CG GLN A 92 84.455 70.568 11.378 1.00 14.77 C ATOM 814 CD GLN A 92 85.754 70.184 12.057 1.00 18.42 C ATOM 815 OE1 GLN A 92 86.750 69.890 11.397 1.00 18.23 O ATOM 816 NE2 GLN A 92 85.750 70.189 13.384 1.00 17.25 N ATOM 817 HE22 GLN A 92 84.884 70.444 13.900 1.00 0.00 H ATOM 818 HE21 GLN A 92 86.613 69.938 13.908 1.00 0.00 H ATOM 819 H GLN A 92 81.856 69.584 10.265 1.00 0.00 H ATOM 820 N ILE A 93 82.894 69.387 7.116 1.00 18.40 N ATOM 821 CA ILE A 93 83.090 69.022 5.716 1.00 17.88 C ATOM 822 C ILE A 93 82.004 69.658 4.856 1.00 19.44 C ATOM 823 O ILE A 93 81.906 69.376 3.656 1.00 15.56 O ATOM 824 CB ILE A 93 83.120 67.493 5.532 1.00 22.35 C ATOM 825 CG1 ILE A 93 81.805 66.855 5.993 1.00 20.65 C ATOM 826 CG2 ILE A 93 84.301 66.905 6.291 1.00 18.88 C ATOM 827 CD1 ILE A 93 81.682 65.381 5.640 1.00 24.25 C ATOM 828 H ILE A 93 82.272 68.807 7.715 1.00 0.00 H ATOM 829 N GLY A 94 81.192 70.523 5.456 1.00 20.16 N ATOM 830 CA GLY A 94 80.162 71.238 4.719 1.00 23.85 C ATOM 831 C GLY A 94 78.996 70.378 4.284 1.00 26.18 C ATOM 832 O GLY A 94 78.446 70.589 3.195 1.00 19.28 O ATOM 833 H GLY A 94 81.296 70.692 6.477 1.00 0.00 H ATOM 834 N CYS A 95 78.592 69.423 5.116 1.00 16.91 N ATOM 835 CA CYS A 95 77.541 68.482 4.765 1.00 20.69 C ATOM 836 C CYS A 95 76.177 69.053 5.136 1.00 17.89 C ATOM 837 O CYS A 95 75.998 69.591 6.233 1.00 21.64 O ATOM 838 CB CYS A 95 77.769 67.145 5.471 1.00 23.79 C ATOM 839 SG CYS A 95 76.659 65.835 4.929 1.00 22.12 S ATOM 840 H CYS A 95 79.043 69.347 6.050 1.00 0.00 H ATOM 841 N THR A 96 75.221 68.937 4.215 1.00 16.36 N ATOM 842 CA THR A 96 73.864 69.413 4.436 1.00 14.04 C ATOM 843 C THR A 96 72.871 68.363 3.957 1.00 17.57 C ATOM 844 O THR A 96 73.198 67.489 3.151 1.00 17.65 O ATOM 845 CB THR A 96 73.594 70.736 3.705 1.00 18.51 C ATOM 846 OG1 THR A 96 73.655 70.522 2.289 1.00 18.55 O ATOM 847 CG2 THR A 96 74.619 71.794 4.101 1.00 24.85 C ATOM 848 HG1 THR A 96 74.554 70.188 2.045 1.00 0.00 H ATOM 849 H THR A 96 75.453 68.490 3.305 1.00 0.00 H ATOM 850 N LEU A 97 71.648 68.465 4.467 1.00 18.55 N ATOM 851 CA LEU A 97 70.524 67.677 3.987 1.00 16.16 C ATOM 852 C LEU A 97 69.732 68.498 2.980 1.00 22.20 C ATOM 853 O LEU A 97 69.492 69.691 3.190 1.00 19.02 O ATOM 854 CB LEU A 97 69.617 67.252 5.143 1.00 18.06 C ATOM 855 CG LEU A 97 70.185 66.194 6.091 1.00 12.86 C ATOM 856 CD1 LEU A 97 69.364 66.120 7.372 1.00 17.35 C ATOM 857 CD2 LEU A 97 70.225 64.838 5.408 1.00 19.29 C ATOM 858 H LEU A 97 71.488 69.138 5.244 1.00 0.00 H ATOM 859 N ASN A 98 69.329 67.858 1.884 1.00 19.26 N ATOM 860 CA ASN A 98 68.640 68.547 0.800 1.00 22.97 C ATOM 861 C ASN A 98 67.502 67.682 0.285 1.00 23.01 C ATOM 862 O ASN A 98 67.693 66.490 0.031 1.00 22.76 O ATOM 863 CB ASN A 98 69.605 68.873 -0.346 1.00 22.89 C ATOM 864 CG ASN A 98 70.780 69.721 0.102 1.00 27.10 C ATOM 865 OD1 ASN A 98 70.735 70.948 0.033 1.00 27.10 O ATOM 866 ND2 ASN A 98 71.843 69.067 0.559 1.00 20.73 N ATOM 867 HD22 ASN A 98 71.836 68.028 0.599 1.00 0.00 H ATOM 868 HD21 ASN A 98 72.681 69.594 0.876 1.00 0.00 H ATOM 869 H ASN A 98 69.511 66.838 1.799 1.00 0.00 H ATOM 870 N PHE A 99 66.325 68.282 0.134 1.00 23.71 N ATOM 871 CA PHE A 99 65.197 67.608 -0.502 1.00 27.95 C ATOM 872 C PHE A 99 64.250 68.629 -1.123 1.00 32.52 C ATOM 873 O PHE A 99 63.222 68.274 -1.700 1.00 34.22 O ATOM 874 CB PHE A 99 64.446 66.719 0.497 1.00 27.22 C ATOM 875 CG PHE A 99 63.925 67.446 1.703 1.00 30.14 C ATOM 876 CD1 PHE A 99 64.677 67.509 2.863 1.00 28.68 C ATOM 877 CD2 PHE A 99 62.675 68.042 1.688 1.00 30.20 C ATOM 878 CE1 PHE A 99 64.201 68.168 3.978 1.00 32.19 C ATOM 879 CE2 PHE A 99 62.195 68.703 2.800 1.00 30.19 C ATOM 880 CZ PHE A 99 62.959 68.765 3.947 1.00 33.83 C ATOM 881 OXT PHE A 99 64.497 69.833 -1.069 1.00 31.92 O ATOM 882 H PHE A 99 66.205 69.256 0.478 1.00 0.00 H TER 883 PHE A 99 ATOM 884 N PRO B 1 64.227 72.192 0.171 1.00 41.05 N ATOM 885 CA PRO B 1 65.070 73.102 0.950 1.00 35.35 C ATOM 886 C PRO B 1 66.411 72.481 1.326 1.00 34.13 C ATOM 887 O PRO B 1 66.639 71.298 1.067 1.00 29.34 O ATOM 888 CB PRO B 1 64.226 73.369 2.196 1.00 33.04 C ATOM 889 CG PRO B 1 63.461 72.111 2.388 1.00 29.20 C ATOM 890 CD PRO B 1 63.188 71.563 1.006 1.00 35.89 C ATOM 891 HN2 PRO B 1 64.825 71.448 -0.241 1.00 0.00 H ATOM 892 HN1 PRO B 1 63.767 72.728 -0.593 1.00 0.00 H ATOM 893 N GLN B 2 67.286 73.276 1.935 1.00 26.91 N ATOM 894 CA GLN B 2 68.579 72.807 2.412 1.00 25.36 C ATOM 895 C GLN B 2 68.648 73.016 3.917 1.00 24.39 C ATOM 896 O GLN B 2 68.276 74.083 4.417 1.00 22.78 O ATOM 897 CB GLN B 2 69.727 73.541 1.717 1.00 24.95 C ATOM 898 CG GLN B 2 71.106 73.134 2.209 1.00 26.79 C ATOM 899 CD GLN B 2 72.223 73.817 1.448 1.00 30.11 C ATOM 900 OE1 GLN B 2 72.547 73.437 0.324 1.00 34.47 O ATOM 901 NE2 GLN B 2 72.817 74.835 2.058 1.00 33.62 N ATOM 902 HE22 GLN B 2 72.510 75.122 3.009 1.00 0.00 H ATOM 903 HE21 GLN B 2 73.590 75.346 1.585 1.00 0.00 H ATOM 904 H GLN B 2 67.036 74.276 2.077 1.00 0.00 H ATOM 905 N ILE B 3 69.121 72.001 4.632 1.00 23.35 N ATOM 906 CA ILE B 3 69.213 72.037 6.086 1.00 19.89 C ATOM 907 C ILE B 3 70.673 71.852 6.465 1.00 22.63 C ATOM 908 O ILE B 3 71.280 70.825 6.135 1.00 16.87 O ATOM 909 CB ILE B 3 68.332 70.961 6.740 1.00 24.52 C ATOM 910 CG1 ILE B 3 66.872 71.151 6.317 1.00 25.33 C ATOM 911 CG2 ILE B 3 68.458 71.017 8.262 1.00 21.83 C ATOM 912 CD1 ILE B 3 65.941 70.044 6.771 1.00 22.16 C ATOM 913 H ILE B 3 69.439 71.145 4.133 1.00 0.00 H ATOM 914 N THR B 4 71.238 72.847 7.142 1.00 19.14 N ATOM 915 CA THR B 4 72.574 72.714 7.693 1.00 17.17 C ATOM 916 C THR B 4 72.522 71.896 8.981 1.00 15.61 C ATOM 917 O THR B 4 71.457 71.652 9.555 1.00 19.29 O ATOM 918 CB THR B 4 73.193 74.088 7.951 1.00 21.62 C ATOM 919 OG1 THR B 4 72.350 74.840 8.832 1.00 26.30 O ATOM 920 CG2 THR B 4 73.368 74.849 6.645 1.00 27.34 C ATOM 921 HG1 THR B 4 72.256 74.356 9.690 1.00 0.00 H ATOM 922 H THR B 4 70.714 73.735 7.279 1.00 0.00 H ATOM 923 N LEU B 5 73.696 71.467 9.439 1.00 15.54 N ATOM 924 CA LEU B 5 73.793 70.565 10.578 1.00 16.40 C ATOM 925 C LEU B 5 74.444 71.226 11.788 1.00 14.41 C ATOM 926 O LEU B 5 74.981 70.532 12.656 1.00 12.79 O ATOM 927 CB LEU B 5 74.553 69.303 10.172 1.00 16.53 C ATOM 928 CG LEU B 5 73.928 68.544 8.994 1.00 16.78 C ATOM 929 CD1 LEU B 5 74.810 67.382 8.571 1.00 17.90 C ATOM 930 CD2 LEU B 5 72.524 68.046 9.328 1.00 16.40 C ATOM 931 H LEU B 5 74.568 71.785 8.970 1.00 0.00 H ATOM 932 N TRP B 6 74.401 72.559 11.866 1.00 13.83 N ATOM 933 CA TRP B 6 74.843 73.239 13.077 1.00 15.84 C ATOM 934 C TRP B 6 74.027 72.798 14.284 1.00 17.37 C ATOM 935 O TRP B 6 74.558 72.712 15.398 1.00 19.77 O ATOM 936 CB TRP B 6 74.738 74.753 12.901 1.00 17.36 C ATOM 937 CG TRP B 6 75.640 75.312 11.846 1.00 19.45 C ATOM 938 CD1 TRP B 6 75.265 75.898 10.671 1.00 22.02 C ATOM 939 CD2 TRP B 6 77.070 75.347 11.874 1.00 19.22 C ATOM 940 NE1 TRP B 6 76.377 76.296 9.967 1.00 18.11 N ATOM 941 CE2 TRP B 6 77.497 75.970 10.685 1.00 17.70 C ATOM 942 CE3 TRP B 6 78.032 74.913 12.791 1.00 21.18 C ATOM 943 CZ2 TRP B 6 78.842 76.166 10.386 1.00 21.14 C ATOM 944 CZ3 TRP B 6 79.368 75.111 12.494 1.00 23.99 C ATOM 945 CH2 TRP B 6 79.760 75.732 11.302 1.00 24.44 C ATOM 946 HE1 TRP B 6 76.369 76.768 9.040 1.00 0.00 H ATOM 947 H TRP B 6 74.051 73.114 11.059 1.00 0.00 H ATOM 948 N LYS B 7 72.743 72.516 14.084 1.00 12.95 N ATOM 949 CA LYS B 7 71.868 72.028 15.137 1.00 15.73 C ATOM 950 C LYS B 7 71.156 70.776 14.641 1.00 16.90 C ATOM 951 O LYS B 7 71.231 70.415 13.464 1.00 16.94 O ATOM 952 CB LYS B 7 70.859 73.104 15.567 1.00 18.42 C ATOM 953 CG LYS B 7 69.805 73.440 14.528 1.00 22.76 C ATOM 954 CD LYS B 7 68.971 74.633 14.966 1.00 27.41 C ATOM 955 CE LYS B 7 67.661 74.715 14.205 1.00 29.72 C ATOM 956 NZ LYS B 7 66.751 75.729 14.804 1.00 52.99 N ATOM 957 HZ1 LYS B 7 66.546 75.470 15.790 1.00 0.00 H ATOM 958 HZ2 LYS B 7 67.209 76.662 14.778 1.00 0.00 H ATOM 959 HZ3 LYS B 7 65.864 75.761 14.261 1.00 0.00 H ATOM 960 H LYS B 7 72.347 72.651 13.132 1.00 0.00 H ATOM 961 N ARG B 8 70.469 70.106 15.558 1.00 14.10 N ATOM 962 CA ARG B 8 69.771 68.876 15.213 1.00 13.56 C ATOM 963 C ARG B 8 68.768 69.143 14.092 1.00 13.56 C ATOM 964 O ARG B 8 67.988 70.101 14.182 1.00 16.34 O ATOM 965 CB ARG B 8 69.056 68.310 16.438 1.00 15.11 C ATOM 966 CG ARG B 8 70.004 67.823 17.519 1.00 18.80 C ATOM 967 CD ARG B 8 69.278 67.061 18.617 1.00 16.59 C ATOM 968 NE ARG B 8 70.219 66.414 19.526 1.00 18.51 N ATOM 969 CZ ARG B 8 69.869 65.696 20.589 1.00 23.70 C ATOM 970 NH1 ARG B 8 68.589 65.525 20.895 1.00 21.45 N ATOM 971 NH2 ARG B 8 70.805 65.150 21.350 1.00 21.36 N ATOM 972 HE ARG B 8 71.234 66.522 19.328 1.00 0.00 H ATOM 973 HH12 ARG B 8 68.324 64.962 21.728 1.00 0.00 H ATOM 974 HH11 ARG B 8 67.851 65.954 20.301 1.00 0.00 H ATOM 975 HH22 ARG B 8 70.536 64.588 22.182 1.00 0.00 H ATOM 976 HH21 ARG B 8 71.809 65.284 21.115 1.00 0.00 H ATOM 977 H ARG B 8 70.429 70.464 16.534 1.00 0.00 H ATOM 978 N PRO B 9 68.755 68.333 13.023 1.00 13.90 N ATOM 979 CA PRO B 9 67.799 68.571 11.917 1.00 15.64 C ATOM 980 C PRO B 9 66.382 68.135 12.273 1.00 16.88 C ATOM 981 O PRO B 9 65.853 67.131 11.787 1.00 13.16 O ATOM 982 CB PRO B 9 68.406 67.744 10.780 1.00 16.30 C ATOM 983 CG PRO B 9 69.076 66.618 11.463 1.00 15.57 C ATOM 984 CD PRO B 9 69.636 67.183 12.741 1.00 14.65 C ATOM 985 N LEU B 10 65.752 68.921 13.146 1.00 18.36 N ATOM 986 CA LEU B 10 64.381 68.683 13.575 1.00 17.90 C ATOM 987 C LEU B 10 63.411 69.381 12.634 1.00 19.79 C ATOM 988 O LEU B 10 63.616 70.537 12.252 1.00 17.20 O ATOM 989 CB LEU B 10 64.163 69.185 15.006 1.00 16.62 C ATOM 990 CG LEU B 10 64.964 68.468 16.092 1.00 15.43 C ATOM 991 CD1 LEU B 10 64.868 69.218 17.408 1.00 22.69 C ATOM 992 CD2 LEU B 10 64.482 67.031 16.259 1.00 17.40 C ATOM 993 H LEU B 10 66.261 69.739 13.537 1.00 0.00 H ATOM 994 N VAL B 11 62.347 68.667 12.264 1.00 19.68 N ATOM 995 CA VAL B 11 61.308 69.196 11.392 1.00 18.39 C ATOM 996 C VAL B 11 59.954 68.728 11.907 1.00 18.14 C ATOM 997 O VAL B 11 59.853 67.785 12.695 1.00 19.36 O ATOM 998 CB VAL B 11 61.496 68.762 9.919 1.00 21.80 C ATOM 999 CG1 VAL B 11 62.848 69.227 9.391 1.00 19.59 C ATOM 1000 CG2 VAL B 11 61.353 67.245 9.770 1.00 15.59 C ATOM 1001 H VAL B 11 62.256 67.692 12.613 1.00 0.00 H ATOM 1002 N THR B 12 58.903 69.399 11.443 1.00 19.23 N ATOM 1003 CA THR B 12 57.545 69.011 11.794 1.00 18.63 C ATOM 1004 C THR B 12 57.058 67.908 10.866 1.00 17.03 C ATOM 1005 O THR B 12 57.286 67.948 9.653 1.00 20.80 O ATOM 1006 CB THR B 12 56.598 70.211 11.711 1.00 19.71 C ATOM 1007 OG1 THR B 12 57.084 71.269 12.545 1.00 19.36 O ATOM 1008 CG2 THR B 12 55.190 69.825 12.163 1.00 17.25 C ATOM 1009 HG1 THR B 12 57.133 70.953 13.482 1.00 0.00 H ATOM 1010 H THR B 12 59.055 70.216 10.818 1.00 0.00 H ATOM 1011 N ILE B 13 56.381 66.919 11.447 1.00 16.41 N ATOM 1012 CA ILE B 13 55.795 65.817 10.700 1.00 16.62 C ATOM 1013 C ILE B 13 54.324 65.716 11.078 1.00 22.86 C ATOM 1014 O ILE B 13 53.882 66.253 12.095 1.00 21.09 O ATOM 1015 CB ILE B 13 56.517 64.477 10.965 1.00 17.93 C ATOM 1016 CG1 ILE B 13 56.356 64.052 12.429 1.00 19.69 C ATOM 1017 CG2 ILE B 13 57.991 64.602 10.609 1.00 21.92 C ATOM 1018 CD1 ILE B 13 56.827 62.643 12.717 1.00 18.17 C ATOM 1019 H ILE B 13 56.266 66.935 12.481 1.00 0.00 H ATOM 1020 N LYS B 14 53.564 65.012 10.240 1.00 18.70 N ATOM 1021 CA LYS B 14 52.148 64.766 10.487 1.00 20.92 C ATOM 1022 C LYS B 14 51.881 63.276 10.343 1.00 24.67 C ATOM 1023 O LYS B 14 52.090 62.708 9.266 1.00 25.30 O ATOM 1024 CB LYS B 14 51.262 65.569 9.527 1.00 22.42 C ATOM 1025 CG LYS B 14 49.771 65.389 9.789 1.00 30.60 C ATOM 1026 CD LYS B 14 48.942 66.550 9.248 1.00 38.14 C ATOM 1027 CE LYS B 14 48.613 66.391 7.772 1.00 41.68 C ATOM 1028 NZ LYS B 14 47.140 66.327 7.550 1.00 50.62 N ATOM 1029 HZ1 LYS B 14 46.748 65.514 8.067 1.00 0.00 H ATOM 1030 HZ2 LYS B 14 46.700 67.204 7.895 1.00 0.00 H ATOM 1031 HZ3 LYS B 14 46.948 66.218 6.534 1.00 0.00 H ATOM 1032 H LYS B 14 53.997 64.624 9.378 1.00 0.00 H ATOM 1033 N ILE B 15 51.428 62.648 11.427 1.00 23.20 N ATOM 1034 CA ILE B 15 51.135 61.219 11.450 1.00 27.65 C ATOM 1035 C ILE B 15 49.874 60.996 12.272 1.00 38.74 C ATOM 1036 O ILE B 15 49.685 61.621 13.320 1.00 33.40 O ATOM 1037 CB ILE B 15 52.310 60.402 12.029 1.00 30.60 C ATOM 1038 CG1 ILE B 15 51.965 58.907 12.019 1.00 30.98 C ATOM 1039 CG2 ILE B 15 52.654 60.887 13.436 1.00 28.56 C ATOM 1040 CD1 ILE B 15 53.080 58.004 12.489 1.00 34.74 C ATOM 1041 H ILE B 15 51.277 63.201 12.295 1.00 0.00 H ATOM 1042 N GLY B 16 49.019 60.094 11.798 1.00 42.48 N ATOM 1043 CA GLY B 16 47.795 59.778 12.526 1.00 39.85 C ATOM 1044 C GLY B 16 47.037 60.998 12.992 1.00 42.48 C ATOM 1045 O GLY B 16 46.512 61.016 14.113 1.00 53.05 O ATOM 1046 H GLY B 16 49.225 59.610 10.901 1.00 0.00 H ATOM 1047 N GLY B 17 46.969 62.029 12.155 1.00 35.00 N ATOM 1048 CA GLY B 17 46.298 63.260 12.540 1.00 38.73 C ATOM 1049 C GLY B 17 46.933 63.953 13.725 1.00 42.18 C ATOM 1050 O GLY B 17 46.220 64.485 14.584 1.00 40.22 O ATOM 1051 H GLY B 17 47.402 61.954 11.212 1.00 0.00 H ATOM 1052 N GLN B 18 48.264 63.961 13.793 1.00 38.81 N ATOM 1053 CA GLN B 18 48.983 64.620 14.875 1.00 28.55 C ATOM 1054 C GLN B 18 50.267 65.231 14.338 1.00 29.01 C ATOM 1055 O GLN B 18 50.943 64.632 13.497 1.00 25.26 O ATOM 1056 CB GLN B 18 49.316 63.646 16.010 1.00 33.76 C ATOM 1057 CG GLN B 18 48.124 63.247 16.857 1.00 43.04 C ATOM 1058 CD GLN B 18 48.534 62.564 18.145 1.00 43.62 C ATOM 1059 OE1 GLN B 18 49.253 61.565 18.130 1.00 46.69 O ATOM 1060 NE2 GLN B 18 48.085 63.108 19.270 1.00 49.70 N ATOM 1061 HE22 GLN B 18 47.480 63.953 19.234 1.00 0.00 H ATOM 1062 HE21 GLN B 18 48.339 62.689 20.188 1.00 0.00 H ATOM 1063 H GLN B 18 48.808 63.480 13.048 1.00 0.00 H ATOM 1064 N LEU B 19 50.598 66.421 14.832 1.00 28.25 N ATOM 1065 CA LEU B 19 51.827 67.111 14.465 1.00 25.60 C ATOM 1066 C LEU B 19 52.888 66.852 15.526 1.00 28.52 C ATOM 1067 O LEU B 19 52.615 66.964 16.725 1.00 24.10 O ATOM 1068 CB LEU B 19 51.592 68.614 14.309 1.00 27.72 C ATOM 1069 CG LEU B 19 50.594 69.059 13.236 1.00 22.52 C ATOM 1070 CD1 LEU B 19 50.687 70.561 13.038 1.00 24.53 C ATOM 1071 CD2 LEU B 19 50.815 68.333 11.915 1.00 25.76 C ATOM 1072 H LEU B 19 49.953 66.877 15.508 1.00 0.00 H ATOM 1073 N LYS B 20 54.094 66.510 15.077 1.00 22.50 N ATOM 1074 CA LYS B 20 55.197 66.183 15.967 1.00 23.42 C ATOM 1075 C LYS B 20 56.493 66.706 15.366 1.00 16.63 C ATOM 1076 O LYS B 20 56.584 66.969 14.165 1.00 17.86 O ATOM 1077 CB LYS B 20 55.312 64.670 16.195 1.00 26.21 C ATOM 1078 CG LYS B 20 54.091 64.024 16.826 1.00 28.53 C ATOM 1079 CD LYS B 20 54.158 62.515 16.692 1.00 22.78 C ATOM 1080 CE LYS B 20 53.038 61.827 17.454 1.00 33.14 C ATOM 1081 NZ LYS B 20 53.292 61.807 18.921 1.00 34.90 N ATOM 1082 HZ1 LYS B 20 54.177 61.295 19.111 1.00 0.00 H ATOM 1083 HZ2 LYS B 20 53.372 62.783 19.271 1.00 0.00 H ATOM 1084 HZ3 LYS B 20 52.503 61.329 19.402 1.00 0.00 H ATOM 1085 H LYS B 20 54.254 66.475 14.050 1.00 0.00 H ATOM 1086 N GLU B 21 57.499 66.857 16.222 1.00 17.79 N ATOM 1087 CA GLU B 21 58.848 67.200 15.794 1.00 20.33 C ATOM 1088 C GLU B 21 59.667 65.921 15.699 1.00 17.76 C ATOM 1089 O GLU B 21 59.645 65.096 16.619 1.00 14.75 O ATOM 1090 CB GLU B 21 59.508 68.181 16.765 1.00 20.31 C ATOM 1091 CG GLU B 21 58.815 69.534 16.873 1.00 26.28 C ATOM 1092 CD GLU B 21 58.711 70.251 15.539 1.00 25.59 C ATOM 1093 OE1 GLU B 21 57.610 70.253 14.950 1.00 29.88 O ATOM 1094 OE2 GLU B 21 59.731 70.806 15.076 1.00 22.44 O ATOM 1095 H GLU B 21 57.315 66.725 17.237 1.00 0.00 H ATOM 1096 N ALA B 22 60.381 65.755 14.587 1.00 15.17 N ATOM 1097 CA ALA B 22 61.122 64.531 14.332 1.00 16.48 C ATOM 1098 C ALA B 22 62.479 64.866 13.730 1.00 15.65 C ATOM 1099 O ALA B 22 62.671 65.912 13.105 1.00 14.52 O ATOM 1100 CB ALA B 22 60.349 63.585 13.403 1.00 14.88 C ATOM 1101 H ALA B 22 60.409 66.520 13.884 1.00 0.00 H ATOM 1102 N LEU B 23 63.416 63.945 13.929 1.00 13.19 N ATOM 1103 CA LEU B 23 64.802 64.097 13.510 1.00 15.35 C ATOM 1104 C LEU B 23 65.014 63.431 12.156 1.00 13.44 C ATOM 1105 O LEU B 23 64.708 62.245 11.989 1.00 17.60 O ATOM 1106 CB LEU B 23 65.727 63.470 14.555 1.00 12.58 C ATOM 1107 CG LEU B 23 67.212 63.815 14.574 1.00 20.00 C ATOM 1108 CD1 LEU B 23 67.419 65.252 15.012 1.00 15.83 C ATOM 1109 CD2 LEU B 23 67.943 62.860 15.505 1.00 20.56 C ATOM 1110 H LEU B 23 63.144 63.065 14.412 1.00 0.00 H ATOM 1111 N LEU B 24 65.535 64.194 11.195 1.00 16.98 N ATOM 1112 CA LEU B 24 65.921 63.655 9.892 1.00 13.01 C ATOM 1113 C LEU B 24 67.261 62.953 10.066 1.00 15.96 C ATOM 1114 O LEU B 24 68.309 63.598 10.135 1.00 12.82 O ATOM 1115 CB LEU B 24 66.013 64.764 8.850 1.00 16.38 C ATOM 1116 CG LEU B 24 64.757 65.602 8.608 1.00 16.60 C ATOM 1117 CD1 LEU B 24 65.023 66.648 7.534 1.00 20.07 C ATOM 1118 CD2 LEU B 24 63.580 64.721 8.221 1.00 17.76 C ATOM 1119 H LEU B 24 65.672 65.208 11.379 1.00 0.00 H ATOM 1120 N ASP B 25 67.234 61.623 10.115 1.00 13.67 N ATOM 1121 CA ASP B 25 68.360 60.826 10.600 1.00 11.48 C ATOM 1122 C ASP B 25 68.825 59.862 9.512 1.00 16.72 C ATOM 1123 O ASP B 25 68.225 58.802 9.311 1.00 11.45 O ATOM 1124 CB ASP B 25 67.961 60.077 11.866 1.00 11.37 C ATOM 1125 CG ASP B 25 69.139 59.438 12.560 1.00 13.03 C ATOM 1126 OD1 ASP B 25 70.244 59.447 11.979 1.00 13.96 O ATOM 1127 OD2 ASP B 25 68.960 58.944 13.690 1.00 14.89 O ATOM 1128 H ASP B 25 66.376 61.130 9.795 1.00 0.00 H ATOM 1129 N THR B 26 69.915 60.224 8.829 1.00 13.46 N ATOM 1130 CA THR B 26 70.511 59.344 7.832 1.00 15.47 C ATOM 1131 C THR B 26 71.122 58.093 8.452 1.00 12.98 C ATOM 1132 O THR B 26 71.340 57.109 7.739 1.00 17.60 O ATOM 1133 CB THR B 26 71.582 60.097 7.035 1.00 16.02 C ATOM 1134 OG1 THR B 26 72.633 60.521 7.915 1.00 14.43 O ATOM 1135 CG2 THR B 26 70.982 61.317 6.342 1.00 14.17 C ATOM 1136 HG1 THR B 26 73.041 59.728 8.346 1.00 0.00 H ATOM 1137 H THR B 26 70.347 61.152 9.013 1.00 0.00 H ATOM 1138 N GLY B 27 71.407 58.107 9.754 1.00 10.74 N ATOM 1139 CA GLY B 27 71.957 56.938 10.409 1.00 11.61 C ATOM 1140 C GLY B 27 70.933 55.918 10.851 1.00 12.42 C ATOM 1141 O GLY B 27 71.314 54.842 11.319 1.00 13.77 O ATOM 1142 H GLY B 27 71.232 58.970 10.308 1.00 0.00 H ATOM 1143 N ALA B 28 69.648 56.232 10.710 1.00 13.35 N ATOM 1144 CA ALA B 28 68.561 55.354 11.122 1.00 12.91 C ATOM 1145 C ALA B 28 68.014 54.621 9.903 1.00 13.78 C ATOM 1146 O ALA B 28 67.530 55.255 8.960 1.00 13.22 O ATOM 1147 CB ALA B 28 67.454 56.157 11.802 1.00 10.90 C ATOM 1148 H ALA B 28 69.407 57.150 10.284 1.00 0.00 H ATOM 1149 N ASP B 29 68.083 53.288 9.927 1.00 13.64 N ATOM 1150 CA ASP B 29 67.541 52.497 8.825 1.00 17.35 C ATOM 1151 C ASP B 29 66.046 52.740 8.664 1.00 17.40 C ATOM 1152 O ASP B 29 65.550 52.929 7.547 1.00 14.02 O ATOM 1153 CB ASP B 29 67.813 51.009 9.058 1.00 19.29 C ATOM 1154 CG ASP B 29 69.283 50.657 8.952 1.00 21.06 C ATOM 1155 OD1 ASP B 29 70.031 51.396 8.279 1.00 18.70 O ATOM 1156 OD2 ASP B 29 69.689 49.632 9.536 1.00 15.45 O ATOM 1157 H ASP B 29 68.526 52.809 10.737 1.00 0.00 H ATOM 1158 N ASP B 30 65.308 52.733 9.773 1.00 16.78 N ATOM 1159 CA ASP B 30 63.856 52.805 9.745 1.00 15.11 C ATOM 1160 C ASP B 30 63.352 53.854 10.726 1.00 13.45 C ATOM 1161 O ASP B 30 63.930 54.063 11.796 1.00 18.44 O ATOM 1162 CB ASP B 30 63.228 51.447 10.077 1.00 14.91 C ATOM 1163 CG ASP B 30 63.460 50.421 8.988 1.00 23.01 C ATOM 1164 OD1 ASP B 30 63.025 50.667 7.842 1.00 19.35 O ATOM 1165 OD2 ASP B 30 64.087 49.380 9.273 1.00 28.05 O ATOM 1166 H ASP B 30 65.788 52.674 10.693 1.00 0.00 H ATOM 1167 N THR B 31 62.255 54.499 10.340 1.00 12.32 N ATOM 1168 CA THR B 31 61.612 55.501 11.178 1.00 11.81 C ATOM 1169 C THR B 31 61.144 54.883 12.490 1.00 16.29 C ATOM 1170 O THR B 31 60.547 53.802 12.506 1.00 14.53 O ATOM 1171 CB THR B 31 60.431 56.112 10.417 1.00 14.03 C ATOM 1172 OG1 THR B 31 60.913 56.776 9.243 1.00 15.63 O ATOM 1173 CG2 THR B 31 59.660 57.109 11.270 1.00 13.93 C ATOM 1174 HG1 THR B 31 61.378 56.122 8.663 1.00 0.00 H ATOM 1175 H THR B 31 61.843 54.281 9.410 1.00 0.00 H ATOM 1176 N VAL B 32 61.422 55.572 13.595 1.00 14.46 N ATOM 1177 CA VAL B 32 60.956 55.160 14.914 1.00 13.23 C ATOM 1178 C VAL B 32 60.424 56.392 15.633 1.00 15.27 C ATOM 1179 O VAL B 32 61.114 57.412 15.723 1.00 15.65 O ATOM 1180 CB VAL B 32 62.065 54.473 15.740 1.00 16.47 C ATOM 1181 CG1 VAL B 32 63.267 55.393 15.940 1.00 18.35 C ATOM 1182 CG2 VAL B 32 61.520 53.992 17.080 1.00 16.88 C ATOM 1183 H VAL B 32 61.993 56.437 13.514 1.00 0.00 H ATOM 1184 N LEU B 33 59.196 56.301 16.136 1.00 15.18 N ATOM 1185 CA LEU B 33 58.538 57.421 16.791 1.00 11.83 C ATOM 1186 C LEU B 33 58.301 57.109 18.262 1.00 19.26 C ATOM 1187 O LEU B 33 58.140 55.949 18.652 1.00 16.30 O ATOM 1188 CB LEU B 33 57.204 57.751 16.115 1.00 15.81 C ATOM 1189 CG LEU B 33 57.276 58.133 14.636 1.00 13.82 C ATOM 1190 CD1 LEU B 33 55.882 58.402 14.111 1.00 24.00 C ATOM 1191 CD2 LEU B 33 58.171 59.347 14.418 1.00 16.66 C ATOM 1192 H LEU B 33 58.688 55.397 16.058 1.00 0.00 H ATOM 1193 N GLU B 34 58.287 58.165 19.073 1.00 17.88 N ATOM 1194 CA GLU B 34 57.985 58.030 20.488 1.00 21.66 C ATOM 1195 C GLU B 34 56.643 57.331 20.679 1.00 21.56 C ATOM 1196 O GLU B 34 55.779 57.330 19.797 1.00 19.73 O ATOM 1197 CB GLU B 34 57.964 59.402 21.165 1.00 22.66 C ATOM 1198 CG GLU B 34 59.343 59.983 21.435 1.00 28.76 C ATOM 1199 CD GLU B 34 59.290 61.429 21.901 1.00 38.72 C ATOM 1200 OE1 GLU B 34 59.764 62.315 21.158 1.00 35.58 O ATOM 1201 OE2 GLU B 34 58.766 61.680 23.007 1.00 50.90 O ATOM 1202 H GLU B 34 58.497 59.107 18.685 1.00 0.00 H ATOM 1203 N GLU B 35 56.479 56.730 21.856 1.00 23.46 N ATOM 1204 CA GLU B 35 55.284 55.955 22.161 1.00 25.71 C ATOM 1205 C GLU B 35 54.021 56.729 21.803 1.00 25.31 C ATOM 1206 O GLU B 35 53.819 57.860 22.252 1.00 24.94 O ATOM 1207 CB GLU B 35 55.275 55.584 23.645 1.00 31.26 C ATOM 1208 CG GLU B 35 54.017 54.870 24.107 1.00 33.26 C ATOM 1209 CD GLU B 35 53.709 53.638 23.283 1.00 32.90 C ATOM 1210 OE1 GLU B 35 54.660 52.910 22.927 1.00 29.56 O ATOM 1211 OE2 GLU B 35 52.519 53.402 22.987 1.00 35.39 O ATOM 1212 H GLU B 35 57.224 56.816 22.577 1.00 0.00 H ATOM 1213 N MET B 36 53.176 56.109 20.983 1.00 18.88 N ATOM 1214 CA MET B 36 51.898 56.689 20.601 1.00 33.27 C ATOM 1215 C MET B 36 50.933 55.556 20.290 1.00 32.05 C ATOM 1216 O MET B 36 51.347 54.460 19.906 1.00 25.46 O ATOM 1217 CB MET B 36 52.033 57.625 19.393 1.00 26.00 C ATOM 1218 CG MET B 36 52.361 56.921 18.085 1.00 28.64 C ATOM 1219 SD MET B 36 52.664 58.075 16.730 1.00 28.29 S ATOM 1220 CE MET B 36 51.109 58.966 16.679 1.00 39.93 C ATOM 1221 H MET B 36 53.438 55.178 20.602 1.00 0.00 H ATOM 1222 N ASN B 37 49.642 55.831 20.454 1.00 33.87 N ATOM 1223 CA ASN B 37 48.612 54.800 20.319 1.00 45.99 C ATOM 1224 C ASN B 37 48.119 54.788 18.876 1.00 40.68 C ATOM 1225 O ASN B 37 47.129 55.431 18.527 1.00 44.93 O ATOM 1226 CB ASN B 37 47.478 55.050 21.305 1.00 46.55 C ATOM 1227 CG ASN B 37 46.870 53.765 21.830 1.00 58.87 C ATOM 1228 OD1 ASN B 37 46.942 52.720 21.183 1.00 55.51 O ATOM 1229 ND2 ASN B 37 46.269 53.836 23.011 1.00 71.83 N ATOM 1230 HD22 ASN B 37 46.232 54.741 23.522 1.00 0.00 H ATOM 1231 HD21 ASN B 37 45.835 52.987 23.425 1.00 0.00 H ATOM 1232 H ASN B 37 49.357 56.804 20.684 1.00 0.00 H ATOM 1233 N LEU B 38 48.822 54.041 18.023 1.00 41.11 N ATOM 1234 CA LEU B 38 48.378 53.880 16.642 1.00 32.98 C ATOM 1235 C LEU B 38 47.411 52.703 16.530 1.00 40.04 C ATOM 1236 O LEU B 38 47.618 51.668 17.169 1.00 37.31 O ATOM 1237 CB LEU B 38 49.563 53.640 15.709 1.00 37.35 C ATOM 1238 CG LEU B 38 50.304 54.844 15.121 1.00 39.85 C ATOM 1239 CD1 LEU B 38 51.426 54.355 14.216 1.00 29.71 C ATOM 1240 CD2 LEU B 38 49.372 55.769 14.346 1.00 31.35 C ATOM 1241 H LEU B 38 49.692 53.570 18.344 1.00 0.00 H ATOM 1242 N PRO B 39 46.350 52.818 15.736 1.00 39.60 N ATOM 1243 CA PRO B 39 45.463 51.674 15.515 1.00 42.93 C ATOM 1244 C PRO B 39 46.034 50.728 14.466 1.00 33.32 C ATOM 1245 O PRO B 39 46.986 51.040 13.751 1.00 34.51 O ATOM 1246 CB PRO B 39 44.167 52.327 15.027 1.00 48.23 C ATOM 1247 CG PRO B 39 44.627 53.552 14.321 1.00 45.67 C ATOM 1248 CD PRO B 39 45.861 54.028 15.050 1.00 47.21 C ATOM 1249 N GLY B 40 45.427 49.550 14.388 1.00 41.80 N ATOM 1250 CA GLY B 40 45.811 48.549 13.417 1.00 36.30 C ATOM 1251 C GLY B 40 46.764 47.518 13.998 1.00 31.07 C ATOM 1252 O GLY B 40 47.234 47.615 15.135 1.00 30.84 O ATOM 1253 H GLY B 40 44.650 49.340 15.047 1.00 0.00 H ATOM 1254 N ARG B 41 47.048 46.510 13.182 1.00 27.49 N ATOM 1255 CA ARG B 41 47.926 45.430 13.594 1.00 28.16 C ATOM 1256 C ARG B 41 49.385 45.868 13.521 1.00 29.87 C ATOM 1257 O ARG B 41 49.739 46.853 12.865 1.00 24.03 O ATOM 1258 CB ARG B 41 47.701 44.196 12.721 1.00 28.37 C ATOM 1259 CG ARG B 41 46.311 43.590 12.852 1.00 32.06 C ATOM 1260 CD ARG B 41 46.182 42.339 12.001 1.00 38.58 C ATOM 1261 NE ARG B 41 47.104 41.293 12.436 1.00 42.93 N ATOM 1262 CZ ARG B 41 47.470 40.254 11.691 1.00 38.87 C ATOM 1263 NH1 ARG B 41 48.314 39.357 12.179 1.00 42.19 N ATOM 1264 NH2 ARG B 41 47.004 40.114 10.457 1.00 45.69 N ATOM 1265 HE ARG B 41 47.502 41.366 13.394 1.00 0.00 H ATOM 1266 HH12 ARG B 41 48.602 38.544 11.598 1.00 0.00 H ATOM 1267 HH11 ARG B 41 48.689 39.466 13.143 1.00 0.00 H ATOM 1268 HH22 ARG B 41 47.295 39.299 9.881 1.00 0.00 H ATOM 1269 HH21 ARG B 41 46.348 40.820 10.066 1.00 0.00 H ATOM 1270 H ARG B 41 46.633 46.494 12.228 1.00 0.00 H ATOM 1271 N TRP B 42 50.238 45.117 14.211 1.00 24.48 N ATOM 1272 CA TRP B 42 51.658 45.424 14.263 1.00 24.87 C ATOM 1273 C TRP B 42 52.426 44.146 14.560 1.00 26.31 C ATOM 1274 O TRP B 42 51.849 43.116 14.919 1.00 20.77 O ATOM 1275 CB TRP B 42 51.954 46.497 15.314 1.00 18.88 C ATOM 1276 CG TRP B 42 51.431 46.161 16.680 1.00 26.01 C ATOM 1277 CD1 TRP B 42 50.179 46.408 17.162 1.00 23.42 C ATOM 1278 CD2 TRP B 42 52.149 45.517 17.741 1.00 26.50 C ATOM 1279 NE1 TRP B 42 50.072 45.959 18.456 1.00 28.75 N ATOM 1280 CE2 TRP B 42 51.267 45.406 18.834 1.00 27.80 C ATOM 1281 CE3 TRP B 42 53.450 45.025 17.872 1.00 24.71 C ATOM 1282 CZ2 TRP B 42 51.646 44.827 20.043 1.00 23.93 C ATOM 1283 CZ3 TRP B 42 53.824 44.448 19.072 1.00 23.57 C ATOM 1284 CH2 TRP B 42 52.925 44.354 20.142 1.00 28.12 C ATOM 1285 HE1 TRP B 42 49.222 46.028 19.052 1.00 0.00 H ATOM 1286 H TRP B 42 49.880 44.288 14.727 1.00 0.00 H ATOM 1287 N LYS B 43 53.746 44.225 14.401 1.00 25.19 N ATOM 1288 CA LYS B 43 54.633 43.102 14.643 1.00 23.89 C ATOM 1289 C LYS B 43 55.769 43.539 15.559 1.00 27.06 C ATOM 1290 O LYS B 43 56.338 44.620 15.365 1.00 18.20 O ATOM 1291 CB LYS B 43 55.206 42.563 13.324 1.00 24.40 C ATOM 1292 H LYS B 43 54.158 45.128 14.091 1.00 0.00 H ATOM 1293 N PRO B 44 56.123 42.735 16.562 1.00 24.78 N ATOM 1294 CA PRO B 44 57.223 43.125 17.448 1.00 21.94 C ATOM 1295 C PRO B 44 58.557 43.134 16.719 1.00 22.66 C ATOM 1296 O PRO B 44 58.779 42.395 15.756 1.00 18.32 O ATOM 1297 CB PRO B 44 57.194 42.058 18.549 1.00 26.96 C ATOM 1298 CG PRO B 44 56.529 40.888 17.927 1.00 30.93 C ATOM 1299 CD PRO B 44 55.532 41.444 16.958 1.00 21.78 C ATOM 1300 N LYS B 45 59.451 43.994 17.196 1.00 18.00 N ATOM 1301 CA LYS B 45 60.769 44.146 16.598 1.00 17.07 C ATOM 1302 C LYS B 45 61.701 44.721 17.651 1.00 18.43 C ATOM 1303 O LYS B 45 61.259 45.319 18.634 1.00 17.42 O ATOM 1304 CB LYS B 45 60.717 45.052 15.362 1.00 24.79 C ATOM 1305 CG LYS B 45 61.993 45.090 14.539 1.00 26.00 C ATOM 1306 CD LYS B 45 61.774 45.871 13.254 1.00 31.27 C ATOM 1307 CE LYS B 45 63.082 46.305 12.618 1.00 31.25 C ATOM 1308 NZ LYS B 45 63.904 45.154 12.159 1.00 45.27 N ATOM 1309 HZ1 LYS B 45 64.130 44.545 12.971 1.00 0.00 H ATOM 1310 HZ2 LYS B 45 63.370 44.608 11.453 1.00 0.00 H ATOM 1311 HZ3 LYS B 45 64.785 45.507 11.733 1.00 0.00 H ATOM 1312 H LYS B 45 59.201 44.576 18.021 1.00 0.00 H ATOM 1313 N MET B 46 62.998 44.521 17.439 1.00 13.41 N ATOM 1314 CA MET B 46 64.023 45.108 18.289 1.00 20.71 C ATOM 1315 C MET B 46 65.055 45.784 17.402 1.00 20.48 C ATOM 1316 O MET B 46 65.520 45.194 16.421 1.00 18.64 O ATOM 1317 CB MET B 46 64.674 44.052 19.192 1.00 22.69 C ATOM 1318 CG MET B 46 63.980 43.910 20.544 1.00 22.89 C ATOM 1319 SD MET B 46 64.556 42.524 21.539 1.00 47.51 S ATOM 1320 CE MET B 46 65.949 43.264 22.392 1.00 22.90 C ATOM 1321 H MET B 46 63.290 43.925 16.638 1.00 0.00 H ATOM 1322 N ILE B 47 65.391 47.025 17.736 1.00 17.12 N ATOM 1323 CA ILE B 47 66.346 47.817 16.974 1.00 20.12 C ATOM 1324 C ILE B 47 67.483 48.209 17.903 1.00 15.65 C ATOM 1325 O ILE B 47 67.258 48.511 19.081 1.00 15.76 O ATOM 1326 CB ILE B 47 65.681 49.058 16.345 1.00 18.38 C ATOM 1327 CG1 ILE B 47 65.053 49.945 17.425 1.00 19.96 C ATOM 1328 CG2 ILE B 47 64.634 48.620 15.324 1.00 19.08 C ATOM 1329 CD1 ILE B 47 64.542 51.279 16.905 1.00 20.14 C ATOM 1330 H ILE B 47 64.953 47.449 18.578 1.00 0.00 H ATOM 1331 N GLY B 48 68.703 48.189 17.374 1.00 16.18 N ATOM 1332 CA GLY B 48 69.902 48.374 18.168 1.00 19.48 C ATOM 1333 C GLY B 48 70.617 49.670 17.834 1.00 16.97 C ATOM 1334 O GLY B 48 70.568 50.154 16.701 1.00 14.45 O ATOM 1335 H GLY B 48 68.801 48.035 16.350 1.00 0.00 H ATOM 1336 N GLY B 49 71.280 50.223 18.834 1.00 15.39 N ATOM 1337 CA GLY B 49 72.082 51.409 18.664 1.00 17.36 C ATOM 1338 C GLY B 49 73.053 51.534 19.812 1.00 15.82 C ATOM 1339 O GLY B 49 73.366 50.558 20.494 1.00 14.31 O ATOM 1340 H GLY B 49 71.221 49.788 19.777 1.00 0.00 H ATOM 1341 N ILE B 50 73.534 52.758 20.029 1.00 15.90 N ATOM 1342 CA ILE B 50 74.409 53.008 21.165 1.00 16.94 C ATOM 1343 C ILE B 50 73.637 52.747 22.449 1.00 17.11 C ATOM 1344 O ILE B 50 72.527 53.259 22.645 1.00 17.95 O ATOM 1345 CB ILE B 50 74.971 54.437 21.104 1.00 14.97 C ATOM 1346 CG1 ILE B 50 76.036 54.520 20.006 1.00 20.63 C ATOM 1347 CG2 ILE B 50 75.556 54.860 22.460 1.00 18.44 C ATOM 1348 CD1 ILE B 50 76.571 55.909 19.745 1.00 20.40 C ATOM 1349 H ILE B 50 73.284 53.536 19.386 1.00 0.00 H ATOM 1350 N GLY B 51 74.220 51.933 23.327 1.00 18.51 N ATOM 1351 CA GLY B 51 73.602 51.558 24.577 1.00 22.84 C ATOM 1352 C GLY B 51 72.893 50.219 24.553 1.00 23.33 C ATOM 1353 O GLY B 51 72.690 49.623 25.618 1.00 21.36 O ATOM 1354 H GLY B 51 75.161 51.551 23.103 1.00 0.00 H ATOM 1355 N GLY B 52 72.512 49.732 23.375 1.00 20.93 N ATOM 1356 CA GLY B 52 71.829 48.457 23.271 1.00 21.30 C ATOM 1357 C GLY B 52 70.576 48.515 22.421 1.00 21.22 C ATOM 1358 O GLY B 52 70.459 49.362 21.530 1.00 15.88 O ATOM 1359 H GLY B 52 72.708 50.277 22.511 1.00 0.00 H ATOM 1360 N PHE B 53 69.631 47.621 22.696 1.00 17.73 N ATOM 1361 CA PHE B 53 68.413 47.487 21.912 1.00 12.45 C ATOM 1362 C PHE B 53 67.202 47.967 22.701 1.00 20.55 C ATOM 1363 O PHE B 53 67.198 47.989 23.935 1.00 14.24 O ATOM 1364 CB PHE B 53 68.198 46.030 21.486 1.00 17.98 C ATOM 1365 CG PHE B 53 69.166 45.553 20.444 1.00 16.70 C ATOM 1366 CD1 PHE B 53 70.488 45.308 20.770 1.00 20.07 C ATOM 1367 CD2 PHE B 53 68.753 45.345 19.139 1.00 19.42 C ATOM 1368 CE1 PHE B 53 71.381 44.869 19.816 1.00 16.60 C ATOM 1369 CE2 PHE B 53 69.642 44.905 18.178 1.00 22.15 C ATOM 1370 CZ PHE B 53 70.959 44.666 18.518 1.00 20.01 C ATOM 1371 H PHE B 53 69.769 46.988 23.510 1.00 0.00 H ATOM 1372 N ILE B 54 66.165 48.354 21.959 1.00 16.96 N ATOM 1373 CA ILE B 54 64.854 48.644 22.521 1.00 19.93 C ATOM 1374 C ILE B 54 63.816 47.856 21.735 1.00 20.30 C ATOM 1375 O ILE B 54 64.000 47.560 20.549 1.00 14.99 O ATOM 1376 CB ILE B 54 64.518 50.154 22.505 1.00 15.81 C ATOM 1377 CG1 ILE B 54 64.473 50.697 21.071 1.00 14.50 C ATOM 1378 CG2 ILE B 54 65.534 50.925 23.331 1.00 20.68 C ATOM 1379 CD1 ILE B 54 63.820 52.065 20.964 1.00 20.90 C ATOM 1380 H ILE B 54 66.298 48.453 20.932 1.00 0.00 H ATOM 1381 N LYS B 55 62.720 47.514 22.407 1.00 18.54 N ATOM 1382 CA LYS B 55 61.606 46.820 21.776 1.00 15.53 C ATOM 1383 C LYS B 55 60.632 47.844 21.210 1.00 12.20 C ATOM 1384 O LYS B 55 60.280 48.814 21.889 1.00 18.19 O ATOM 1385 CB LYS B 55 60.897 45.908 22.779 1.00 11.05 C ATOM 1386 H LYS B 55 62.657 47.750 23.418 1.00 0.00 H ATOM 1387 N VAL B 56 60.198 47.625 19.967 1.00 16.39 N ATOM 1388 CA VAL B 56 59.309 48.550 19.277 1.00 15.90 C ATOM 1389 C VAL B 56 58.205 47.767 18.580 1.00 16.97 C ATOM 1390 O VAL B 56 58.295 46.553 18.383 1.00 15.61 O ATOM 1391 CB VAL B 56 60.062 49.431 18.252 1.00 14.43 C ATOM 1392 CG1 VAL B 56 61.128 50.263 18.948 1.00 15.06 C ATOM 1393 CG2 VAL B 56 60.689 48.579 17.151 1.00 16.35 C ATOM 1394 H VAL B 56 60.506 46.763 19.473 1.00 0.00 H ATOM 1395 N ARG B 57 57.155 48.489 18.201 1.00 14.52 N ATOM 1396 CA ARG B 57 56.041 47.938 17.442 1.00 16.88 C ATOM 1397 C ARG B 57 56.157 48.420 16.004 1.00 17.80 C ATOM 1398 O ARG B 57 56.224 49.629 15.754 1.00 15.51 O ATOM 1399 CB ARG B 57 54.703 48.356 18.052 1.00 17.83 C ATOM 1400 CG ARG B 57 54.603 48.056 19.536 1.00 24.86 C ATOM 1401 CD ARG B 57 53.182 48.198 20.061 1.00 29.18 C ATOM 1402 NE ARG B 57 52.637 49.538 19.862 1.00 29.71 N ATOM 1403 CZ ARG B 57 52.913 50.584 20.634 1.00 29.98 C ATOM 1404 NH1 ARG B 57 52.362 51.761 20.372 1.00 31.67 N ATOM 1405 NH2 ARG B 57 53.743 50.463 21.661 1.00 27.30 N ATOM 1406 HE ARG B 57 51.989 49.684 19.062 1.00 0.00 H ATOM 1407 HH12 ARG B 57 52.576 52.581 20.975 1.00 0.00 H ATOM 1408 HH11 ARG B 57 51.715 51.864 19.564 1.00 0.00 H ATOM 1409 HH22 ARG B 57 53.953 51.287 22.260 1.00 0.00 H ATOM 1410 HH21 ARG B 57 54.184 49.544 21.868 1.00 0.00 H ATOM 1411 H ARG B 57 57.128 49.496 18.459 1.00 0.00 H ATOM 1412 N GLN B 58 56.191 47.480 15.066 1.00 15.20 N ATOM 1413 CA GLN B 58 56.349 47.801 13.655 1.00 18.58 C ATOM 1414 C GLN B 58 54.978 47.912 13.000 1.00 25.40 C ATOM 1415 O GLN B 58 54.230 46.929 12.939 1.00 20.39 O ATOM 1416 CB GLN B 58 57.196 46.742 12.953 1.00 18.60 C ATOM 1417 CG GLN B 58 57.324 46.953 11.452 1.00 20.85 C ATOM 1418 CD GLN B 58 58.198 45.913 10.784 1.00 29.95 C ATOM 1419 OE1 GLN B 58 59.094 45.344 11.408 1.00 29.93 O ATOM 1420 NE2 GLN B 58 57.941 45.657 9.506 1.00 34.52 N ATOM 1421 HE22 GLN B 58 57.174 46.162 9.019 1.00 0.00 H ATOM 1422 HE21 GLN B 58 58.507 44.951 8.993 1.00 0.00 H ATOM 1423 H GLN B 58 56.102 46.483 15.349 1.00 0.00 H ATOM 1424 N TYR B 59 54.651 49.108 12.521 1.00 18.63 N ATOM 1425 CA TYR B 59 53.449 49.347 11.737 1.00 23.93 C ATOM 1426 C TYR B 59 53.841 49.557 10.281 1.00 26.81 C ATOM 1427 O TYR B 59 54.812 50.261 9.987 1.00 22.60 O ATOM 1428 CB TYR B 59 52.684 50.568 12.253 1.00 23.69 C ATOM 1429 CG TYR B 59 52.142 50.418 13.658 1.00 22.00 C ATOM 1430 CD1 TYR B 59 52.938 50.688 14.762 1.00 22.69 C ATOM 1431 CD2 TYR B 59 50.831 50.017 13.879 1.00 27.78 C ATOM 1432 CE1 TYR B 59 52.447 50.556 16.045 1.00 20.38 C ATOM 1433 CE2 TYR B 59 50.331 49.882 15.160 1.00 21.52 C ATOM 1434 CZ TYR B 59 51.144 50.154 16.239 1.00 24.92 C ATOM 1435 OH TYR B 59 50.653 50.024 17.517 1.00 25.99 O ATOM 1436 HH TYR B 59 49.882 50.633 17.637 1.00 0.00 H ATOM 1437 H TYR B 59 55.284 49.910 12.716 1.00 0.00 H ATOM 1438 N ASP B 60 53.087 48.945 9.374 1.00 21.82 N ATOM 1439 CA ASP B 60 53.395 48.982 7.953 1.00 25.88 C ATOM 1440 C ASP B 60 52.409 49.877 7.212 1.00 22.94 C ATOM 1441 O ASP B 60 51.251 50.023 7.611 1.00 26.47 O ATOM 1442 CB ASP B 60 53.372 47.573 7.355 1.00 32.49 C ATOM 1443 CG ASP B 60 54.428 46.668 7.960 1.00 36.80 C ATOM 1444 OD1 ASP B 60 55.548 47.154 8.224 1.00 39.31 O ATOM 1445 OD2 ASP B 60 54.137 45.474 8.179 1.00 37.03 O ATOM 1446 H ASP B 60 52.247 48.421 9.692 1.00 0.00 H ATOM 1447 N GLN B 61 52.892 50.481 6.128 1.00 28.39 N ATOM 1448 CA GLN B 61 52.076 51.335 5.266 1.00 27.49 C ATOM 1449 C GLN B 61 51.386 52.434 6.072 1.00 23.92 C ATOM 1450 O GLN B 61 50.176 52.650 5.976 1.00 28.76 O ATOM 1451 CB GLN B 61 51.056 50.500 4.489 1.00 31.51 C ATOM 1452 CG GLN B 61 51.682 49.425 3.616 1.00 26.39 C ATOM 1453 CD GLN B 61 52.720 49.983 2.663 1.00 39.79 C ATOM 1454 OE1 GLN B 61 53.882 49.576 2.684 1.00 52.56 O ATOM 1455 NE2 GLN B 61 52.306 50.922 1.820 1.00 44.31 N ATOM 1456 HE22 GLN B 61 51.315 51.236 1.837 1.00 0.00 H ATOM 1457 HE21 GLN B 61 52.973 51.343 1.143 1.00 0.00 H ATOM 1458 H GLN B 61 53.893 50.339 5.884 1.00 0.00 H ATOM 1459 N ILE B 62 52.178 53.140 6.874 1.00 22.50 N ATOM 1460 CA ILE B 62 51.703 54.276 7.656 1.00 23.43 C ATOM 1461 C ILE B 62 52.002 55.546 6.876 1.00 23.51 C ATOM 1462 O ILE B 62 53.130 55.745 6.408 1.00 27.76 O ATOM 1463 CB ILE B 62 52.365 54.318 9.045 1.00 23.43 C ATOM 1464 CG1 ILE B 62 52.032 53.052 9.842 1.00 24.26 C ATOM 1465 CG2 ILE B 62 51.943 55.575 9.812 1.00 23.59 C ATOM 1466 CD1 ILE B 62 50.562 52.905 10.220 1.00 30.09 C ATOM 1467 H ILE B 62 53.180 52.870 6.947 1.00 0.00 H ATOM 1468 N LEU B 63 51.000 56.409 6.741 1.00 22.67 N ATOM 1469 CA LEU B 63 51.174 57.667 6.028 1.00 31.17 C ATOM 1470 C LEU B 63 51.781 58.717 6.951 1.00 25.54 C ATOM 1471 O LEU B 63 51.288 58.940 8.061 1.00 27.14 O ATOM 1472 CB LEU B 63 49.833 58.157 5.482 1.00 30.20 C ATOM 1473 H LEU B 63 50.073 56.181 7.153 1.00 0.00 H ATOM 1474 N ILE B 64 52.853 59.358 6.488 1.00 26.22 N ATOM 1475 CA ILE B 64 53.504 60.443 7.211 1.00 24.59 C ATOM 1476 C ILE B 64 53.793 61.567 6.229 1.00 27.59 C ATOM 1477 O ILE B 64 54.212 61.321 5.093 1.00 34.40 O ATOM 1478 CB ILE B 64 54.808 59.986 7.903 1.00 26.59 C ATOM 1479 CG1 ILE B 64 54.500 58.986 9.022 1.00 35.30 C ATOM 1480 CG2 ILE B 64 55.574 61.194 8.454 1.00 27.24 C ATOM 1481 CD1 ILE B 64 55.726 58.523 9.810 1.00 36.05 C ATOM 1482 H ILE B 64 53.243 59.071 5.568 1.00 0.00 H ATOM 1483 N GLU B 65 53.578 62.801 6.673 1.00 22.16 N ATOM 1484 CA GLU B 65 53.907 63.989 5.897 1.00 22.68 C ATOM 1485 C GLU B 65 55.084 64.686 6.566 1.00 25.32 C ATOM 1486 O GLU B 65 55.001 65.055 7.743 1.00 26.26 O ATOM 1487 CB GLU B 65 52.705 64.926 5.793 1.00 26.27 C ATOM 1488 CG GLU B 65 52.925 66.110 4.873 1.00 27.37 C ATOM 1489 CD GLU B 65 51.670 66.936 4.682 1.00 31.04 C ATOM 1490 OE1 GLU B 65 50.601 66.341 4.427 1.00 25.52 O ATOM 1491 OE2 GLU B 65 51.750 68.177 4.792 1.00 27.49 O ATOM 1492 H GLU B 65 53.156 62.924 7.616 1.00 0.00 H ATOM 1493 N ILE B 66 56.172 64.855 5.820 1.00 24.79 N ATOM 1494 CA ILE B 66 57.410 65.440 6.327 1.00 30.70 C ATOM 1495 C ILE B 66 57.660 66.720 5.541 1.00 30.25 C ATOM 1496 O ILE B 66 57.947 66.671 4.338 1.00 29.51 O ATOM 1497 CB ILE B 66 58.597 64.473 6.198 1.00 28.55 C ATOM 1498 CG1 ILE B 66 58.308 63.163 6.933 1.00 29.91 C ATOM 1499 CG2 ILE B 66 59.873 65.103 6.752 1.00 27.84 C ATOM 1500 CD1 ILE B 66 59.033 61.967 6.355 1.00 26.53 C ATOM 1501 H ILE B 66 56.139 64.555 4.825 1.00 0.00 H ATOM 1502 N CYS B 67 57.558 67.865 6.215 1.00 38.39 N ATOM 1503 CA CYS B 67 57.773 69.166 5.583 1.00 27.31 C ATOM 1504 C CYS B 67 56.925 69.306 4.322 1.00 34.15 C ATOM 1505 O CYS B 67 57.392 69.750 3.271 1.00 37.71 O ATOM 1506 CB CYS B 67 59.253 69.380 5.262 1.00 40.73 C ATOM 1507 SG CYS B 67 60.299 69.626 6.701 1.00 42.92 S ATOM 1508 H CYS B 67 57.317 67.832 7.226 1.00 0.00 H ATOM 1509 N GLY B 68 55.660 68.912 4.432 1.00 30.23 N ATOM 1510 CA GLY B 68 54.762 68.954 3.298 1.00 31.83 C ATOM 1511 C GLY B 68 55.012 67.903 2.241 1.00 32.48 C ATOM 1512 O GLY B 68 54.319 67.906 1.217 1.00 35.83 O ATOM 1513 H GLY B 68 55.310 68.568 5.349 1.00 0.00 H ATOM 1514 N HIS B 69 55.979 67.011 2.444 1.00 25.45 N ATOM 1515 CA HIS B 69 56.243 65.912 1.524 1.00 22.19 C ATOM 1516 C HIS B 69 55.605 64.647 2.083 1.00 28.51 C ATOM 1517 O HIS B 69 55.992 64.175 3.158 1.00 29.82 O ATOM 1518 CB HIS B 69 57.744 65.710 1.320 1.00 27.73 C ATOM 1519 CG HIS B 69 58.414 66.832 0.589 1.00 29.64 C ATOM 1520 ND1 HIS B 69 58.497 68.110 1.098 1.00 30.33 N ATOM 1521 CD2 HIS B 69 59.037 66.865 -0.613 1.00 22.40 C ATOM 1522 CE1 HIS B 69 59.140 68.882 0.240 1.00 29.82 C ATOM 1523 NE2 HIS B 69 59.480 68.150 -0.806 1.00 26.63 N ATOM 1524 H HIS B 69 56.571 67.102 3.294 1.00 0.00 H ATOM 1525 N LYS B 70 54.635 64.104 1.356 1.00 20.89 N ATOM 1526 CA LYS B 70 53.933 62.913 1.807 1.00 25.70 C ATOM 1527 C LYS B 70 54.790 61.670 1.603 1.00 21.56 C ATOM 1528 O LYS B 70 55.591 61.583 0.669 1.00 21.34 O ATOM 1529 CB LYS B 70 52.607 62.757 1.064 1.00 25.31 C ATOM 1530 CG LYS B 70 51.567 63.799 1.442 1.00 30.15 C ATOM 1531 CD LYS B 70 50.252 63.566 0.713 1.00 32.33 C ATOM 1532 CE LYS B 70 49.202 64.590 1.112 1.00 26.11 C ATOM 1533 NZ LYS B 70 49.659 65.986 0.877 1.00 38.82 N ATOM 1534 HZ1 LYS B 70 50.517 66.168 1.437 1.00 0.00 H ATOM 1535 HZ2 LYS B 70 49.869 66.115 -0.133 1.00 0.00 H ATOM 1536 HZ3 LYS B 70 48.910 66.648 1.164 1.00 0.00 H ATOM 1537 H LYS B 70 54.373 64.538 0.448 1.00 0.00 H ATOM 1538 N ALA B 71 54.609 60.702 2.498 1.00 24.94 N ATOM 1539 CA ALA B 71 55.328 59.441 2.425 1.00 21.45 C ATOM 1540 C ALA B 71 54.448 58.351 3.013 1.00 31.80 C ATOM 1541 O ALA B 71 53.449 58.626 3.684 1.00 28.13 O ATOM 1542 CB ALA B 71 56.670 59.512 3.165 1.00 25.27 C ATOM 1543 H ALA B 71 53.932 60.852 3.273 1.00 0.00 H ATOM 1544 N ILE B 72 54.824 57.104 2.746 1.00 24.67 N ATOM 1545 CA ILE B 72 54.087 55.954 3.260 1.00 24.22 C ATOM 1546 C ILE B 72 55.046 54.780 3.362 1.00 21.37 C ATOM 1547 O ILE B 72 55.727 54.433 2.392 1.00 21.58 O ATOM 1548 CB ILE B 72 52.867 55.610 2.378 1.00 29.96 C ATOM 1549 CG1 ILE B 72 52.100 54.426 2.969 1.00 33.47 C ATOM 1550 CG2 ILE B 72 53.292 55.309 0.944 1.00 33.56 C ATOM 1551 CD1 ILE B 72 50.639 54.382 2.560 1.00 32.73 C ATOM 1552 H ILE B 72 55.665 56.944 2.156 1.00 0.00 H ATOM 1553 N GLY B 73 55.108 54.176 4.539 1.00 22.01 N ATOM 1554 CA GLY B 73 55.998 53.054 4.737 1.00 20.80 C ATOM 1555 C GLY B 73 55.991 52.595 6.175 1.00 20.06 C ATOM 1556 O GLY B 73 55.052 52.865 6.926 1.00 25.58 O ATOM 1557 H GLY B 73 54.514 54.510 5.324 1.00 0.00 H ATOM 1558 N THR B 74 57.060 51.902 6.552 1.00 14.87 N ATOM 1559 CA THR B 74 57.147 51.333 7.888 1.00 20.88 C ATOM 1560 C THR B 74 57.412 52.422 8.919 1.00 18.55 C ATOM 1561 O THR B 74 58.243 53.311 8.714 1.00 19.01 O ATOM 1562 CB THR B 74 58.249 50.277 7.946 1.00 26.65 C ATOM 1563 OG1 THR B 74 57.976 49.249 6.986 1.00 30.15 O ATOM 1564 CG2 THR B 74 58.326 49.654 9.334 1.00 22.24 C ATOM 1565 HG1 THR B 74 58.691 48.565 7.024 1.00 0.00 H ATOM 1566 H THR B 74 57.845 51.765 5.883 1.00 0.00 H ATOM 1567 N VAL B 75 56.694 52.343 10.036 1.00 17.72 N ATOM 1568 CA VAL B 75 56.877 53.247 11.163 1.00 13.74 C ATOM 1569 C VAL B 75 56.965 52.403 12.425 1.00 19.05 C ATOM 1570 O VAL B 75 56.029 51.661 12.747 1.00 18.32 O ATOM 1571 CB VAL B 75 55.735 54.273 11.269 1.00 25.78 C ATOM 1572 CG1 VAL B 75 55.855 55.105 12.547 1.00 27.43 C ATOM 1573 CG2 VAL B 75 55.735 55.175 10.050 1.00 25.09 C ATOM 1574 H VAL B 75 55.968 51.601 10.108 1.00 0.00 H ATOM 1575 N LEU B 76 58.086 52.508 13.131 1.00 16.07 N ATOM 1576 CA LEU B 76 58.268 51.823 14.400 1.00 15.47 C ATOM 1577 C LEU B 76 57.834 52.737 15.538 1.00 18.11 C ATOM 1578 O LEU B 76 58.017 53.956 15.474 1.00 18.97 O ATOM 1579 CB LEU B 76 59.729 51.409 14.586 1.00 17.14 C ATOM 1580 CG LEU B 76 60.374 50.670 13.410 1.00 19.98 C ATOM 1581 CD1 LEU B 76 61.837 50.397 13.700 1.00 21.04 C ATOM 1582 CD2 LEU B 76 59.640 49.374 13.101 1.00 13.59 C ATOM 1583 H LEU B 76 58.858 53.100 12.763 1.00 0.00 H ATOM 1584 N VAL B 77 57.253 52.141 16.577 1.00 16.53 N ATOM 1585 CA VAL B 77 56.781 52.874 17.746 1.00 11.76 C ATOM 1586 C VAL B 77 57.309 52.176 18.990 1.00 15.15 C ATOM 1587 O VAL B 77 57.155 50.957 19.138 1.00 14.14 O ATOM 1588 CB VAL B 77 55.242 52.967 17.784 1.00 17.51 C ATOM 1589 CG1 VAL B 77 54.770 53.699 19.041 1.00 23.18 C ATOM 1590 CG2 VAL B 77 54.723 53.673 16.541 1.00 18.66 C ATOM 1591 H VAL B 77 57.130 51.108 16.554 1.00 0.00 H ATOM 1592 N GLY B 78 57.926 52.945 19.883 1.00 16.25 N ATOM 1593 CA GLY B 78 58.495 52.396 21.090 1.00 17.87 C ATOM 1594 C GLY B 78 59.126 53.459 21.965 1.00 21.72 C ATOM 1595 O GLY B 78 59.012 54.660 21.705 1.00 20.77 O ATOM 1596 H GLY B 78 58.000 53.967 19.707 1.00 0.00 H ATOM 1597 N PRO B 79 59.811 53.032 23.028 1.00 18.19 N ATOM 1598 CA PRO B 79 60.401 53.980 23.991 1.00 20.52 C ATOM 1599 C PRO B 79 61.672 54.642 23.463 1.00 23.93 C ATOM 1600 O PRO B 79 62.753 54.545 24.053 1.00 17.25 O ATOM 1601 CB PRO B 79 60.657 53.086 25.211 1.00 20.67 C ATOM 1602 CG PRO B 79 60.918 51.740 24.633 1.00 21.83 C ATOM 1603 CD PRO B 79 60.025 51.630 23.429 1.00 25.12 C ATOM 1604 N THR B 80 61.544 55.327 22.329 1.00 18.50 N ATOM 1605 CA THR B 80 62.688 56.080 21.832 1.00 19.99 C ATOM 1606 C THR B 80 62.743 57.445 22.511 1.00 16.70 C ATOM 1607 O THR B 80 61.698 58.050 22.770 1.00 19.34 O ATOM 1608 CB THR B 80 62.613 56.269 20.318 1.00 22.53 C ATOM 1609 OG1 THR B 80 63.716 57.077 19.887 1.00 16.88 O ATOM 1610 CG2 THR B 80 61.310 56.947 19.907 1.00 17.30 C ATOM 1611 HG1 THR B 80 63.672 57.959 20.335 1.00 0.00 H ATOM 1612 H THR B 80 60.644 55.325 21.807 1.00 0.00 H ATOM 1613 N PRO B 81 63.936 57.958 22.826 1.00 16.41 N ATOM 1614 CA PRO B 81 64.023 59.288 23.447 1.00 25.71 C ATOM 1615 C PRO B 81 63.703 60.437 22.505 1.00 25.80 C ATOM 1616 O PRO B 81 63.657 61.587 22.957 1.00 19.32 O ATOM 1617 CB PRO B 81 65.484 59.356 23.918 1.00 24.24 C ATOM 1618 CG PRO B 81 66.213 58.442 23.010 1.00 20.40 C ATOM 1619 CD PRO B 81 65.259 57.325 22.690 1.00 20.43 C ATOM 1620 N ILE B 82 63.471 60.176 21.219 1.00 18.44 N ATOM 1621 CA ILE B 82 63.245 61.245 20.255 1.00 18.61 C ATOM 1622 C ILE B 82 62.627 60.636 19.007 1.00 12.94 C ATOM 1623 O ILE B 82 62.929 59.497 18.639 1.00 16.72 O ATOM 1624 CB ILE B 82 64.569 61.988 19.942 1.00 20.27 C ATOM 1625 CG1 ILE B 82 64.317 63.183 19.021 1.00 20.50 C ATOM 1626 CG2 ILE B 82 65.583 61.034 19.320 1.00 18.44 C ATOM 1627 CD1 ILE B 82 65.484 64.151 18.955 1.00 23.28 C ATOM 1628 H ILE B 82 63.451 59.188 20.896 1.00 0.00 H ATOM 1629 N ASN B 83 61.752 61.399 18.356 1.00 16.30 N ATOM 1630 CA ASN B 83 61.171 60.963 17.093 1.00 16.04 C ATOM 1631 C ASN B 83 62.234 61.004 16.002 1.00 16.03 C ATOM 1632 O ASN B 83 62.948 62.002 15.855 1.00 14.44 O ATOM 1633 CB ASN B 83 59.988 61.851 16.715 1.00 14.61 C ATOM 1634 CG ASN B 83 58.837 61.751 17.702 1.00 18.48 C ATOM 1635 OD1 ASN B 83 58.469 60.661 18.145 1.00 18.44 O ATOM 1636 ND2 ASN B 83 58.261 62.895 18.050 1.00 19.81 N ATOM 1637 HD22 ASN B 83 58.604 63.792 17.651 1.00 0.00 H ATOM 1638 HD21 ASN B 83 57.467 62.894 18.721 1.00 0.00 H ATOM 1639 H ASN B 83 61.479 62.320 18.755 1.00 0.00 H ATOM 1640 N ILE B 84 62.334 59.922 15.233 1.00 12.65 N ATOM 1641 CA ILE B 84 63.406 59.741 14.260 1.00 12.31 C ATOM 1642 C ILE B 84 62.792 59.366 12.918 1.00 15.87 C ATOM 1643 O ILE B 84 62.071 58.365 12.820 1.00 13.02 O ATOM 1644 CB ILE B 84 64.407 58.666 14.715 1.00 13.91 C ATOM 1645 CG1 ILE B 84 65.154 59.140 15.963 1.00 12.06 C ATOM 1646 CG2 ILE B 84 65.399 58.325 13.599 1.00 16.60 C ATOM 1647 CD1 ILE B 84 65.914 58.051 16.673 1.00 18.21 C ATOM 1648 H ILE B 84 61.618 59.174 15.330 1.00 0.00 H ATOM 1649 N ILE B 85 63.081 60.159 11.890 1.00 13.72 N ATOM 1650 CA ILE B 85 62.737 59.811 10.516 1.00 15.07 C ATOM 1651 C ILE B 85 63.939 59.105 9.900 1.00 12.33 C ATOM 1652 O ILE B 85 65.022 59.690 9.784 1.00 15.81 O ATOM 1653 CB ILE B 85 62.349 61.052 9.698 1.00 12.96 C ATOM 1654 CG1 ILE B 85 61.208 61.817 10.375 1.00 14.24 C ATOM 1655 CG2 ILE B 85 61.959 60.654 8.277 1.00 17.11 C ATOM 1656 CD1 ILE B 85 59.930 61.010 10.576 1.00 21.77 C ATOM 1657 H ILE B 85 63.569 61.059 12.072 1.00 0.00 H ATOM 1658 N GLY B 86 63.747 57.848 9.503 1.00 14.14 N ATOM 1659 CA GLY B 86 64.819 57.029 8.985 1.00 13.96 C ATOM 1660 C GLY B 86 64.855 56.995 7.463 1.00 12.95 C ATOM 1661 O GLY B 86 64.010 57.556 6.770 1.00 16.78 O ATOM 1662 H GLY B 86 62.792 57.442 9.568 1.00 0.00 H ATOM 1663 N ARG B 87 65.869 56.293 6.950 1.00 14.44 N ATOM 1664 CA ARG B 87 66.092 56.245 5.508 1.00 12.62 C ATOM 1665 C ARG B 87 64.888 55.691 4.759 1.00 16.33 C ATOM 1666 O ARG B 87 64.668 56.049 3.596 1.00 19.19 O ATOM 1667 CB ARG B 87 67.331 55.406 5.195 1.00 12.08 C ATOM 1668 CG ARG B 87 68.632 56.017 5.683 1.00 15.80 C ATOM 1669 CD ARG B 87 69.850 55.260 5.173 1.00 15.23 C ATOM 1670 NE ARG B 87 69.917 53.893 5.685 1.00 14.91 N ATOM 1671 CZ ARG B 87 69.547 52.801 5.017 1.00 20.11 C ATOM 1672 NH1 ARG B 87 69.074 52.881 3.780 1.00 16.72 N ATOM 1673 NH2 ARG B 87 69.655 51.613 5.595 1.00 20.74 N ATOM 1674 HE ARG B 87 70.283 53.762 6.649 1.00 0.00 H ATOM 1675 HH12 ARG B 87 68.790 52.017 3.275 1.00 0.00 H ATOM 1676 HH11 ARG B 87 68.987 53.807 3.315 1.00 0.00 H ATOM 1677 HH22 ARG B 87 69.368 50.756 5.080 1.00 0.00 H ATOM 1678 HH21 ARG B 87 70.026 51.538 6.563 1.00 0.00 H ATOM 1679 H ARG B 87 66.508 55.774 7.586 1.00 0.00 H ATOM 1680 N ASN B 88 64.099 54.820 5.394 1.00 14.18 N ATOM 1681 CA ASN B 88 62.968 54.220 4.694 1.00 17.41 C ATOM 1682 C ASN B 88 61.969 55.275 4.236 1.00 17.51 C ATOM 1683 O ASN B 88 61.249 55.061 3.254 1.00 16.51 O ATOM 1684 CB ASN B 88 62.281 53.186 5.586 1.00 13.10 C ATOM 1685 CG ASN B 88 61.475 53.818 6.702 1.00 17.26 C ATOM 1686 OD1 ASN B 88 61.975 54.655 7.452 1.00 15.66 O ATOM 1687 ND2 ASN B 88 60.214 53.419 6.815 1.00 19.71 N ATOM 1688 HD22 ASN B 88 59.833 52.708 6.158 1.00 0.00 H ATOM 1689 HD21 ASN B 88 59.607 53.817 7.560 1.00 0.00 H ATOM 1690 H ASN B 88 64.290 54.570 6.385 1.00 0.00 H ATOM 1691 N LEU B 89 61.907 56.415 4.925 1.00 16.16 N ATOM 1692 CA LEU B 89 61.053 57.522 4.515 1.00 17.37 C ATOM 1693 C LEU B 89 61.818 58.696 3.923 1.00 19.08 C ATOM 1694 O LEU B 89 61.249 59.441 3.123 1.00 17.11 O ATOM 1695 CB LEU B 89 60.222 58.025 5.704 1.00 16.14 C ATOM 1696 CG LEU B 89 59.335 56.990 6.404 1.00 19.03 C ATOM 1697 CD1 LEU B 89 58.475 57.667 7.463 1.00 25.61 C ATOM 1698 CD2 LEU B 89 58.462 56.229 5.416 1.00 16.92 C ATOM 1699 H LEU B 89 62.487 56.517 5.782 1.00 0.00 H ATOM 1700 N LEU B 90 63.089 58.881 4.289 1.00 14.36 N ATOM 1701 CA LEU B 90 63.867 59.973 3.712 1.00 15.43 C ATOM 1702 C LEU B 90 63.998 59.814 2.202 1.00 16.35 C ATOM 1703 O LEU B 90 63.936 60.800 1.459 1.00 19.98 O ATOM 1704 CB LEU B 90 65.249 60.042 4.361 1.00 14.44 C ATOM 1705 CG LEU B 90 65.310 60.390 5.849 1.00 15.77 C ATOM 1706 CD1 LEU B 90 66.753 60.351 6.325 1.00 15.23 C ATOM 1707 CD2 LEU B 90 64.694 61.748 6.133 1.00 16.23 C ATOM 1708 H LEU B 90 63.526 58.245 4.987 1.00 0.00 H ATOM 1709 N THR B 91 64.185 58.579 1.730 1.00 17.99 N ATOM 1710 CA THR B 91 64.242 58.340 0.292 1.00 19.62 C ATOM 1711 C THR B 91 62.953 58.782 -0.388 1.00 24.08 C ATOM 1712 O THR B 91 62.982 59.328 -1.498 1.00 23.19 O ATOM 1713 CB THR B 91 64.501 56.860 0.011 1.00 20.13 C ATOM 1714 OG1 THR B 91 63.452 56.074 0.590 1.00 20.59 O ATOM 1715 CG2 THR B 91 65.840 56.427 0.585 1.00 20.70 C ATOM 1716 HG1 THR B 91 63.620 55.116 0.408 1.00 0.00 H ATOM 1717 H THR B 91 64.291 57.783 2.391 1.00 0.00 H ATOM 1718 N GLN B 92 61.811 58.551 0.262 1.00 22.39 N ATOM 1719 CA GLN B 92 60.523 58.850 -0.351 1.00 18.41 C ATOM 1720 C GLN B 92 60.283 60.345 -0.522 1.00 26.77 C ATOM 1721 O GLN B 92 59.478 60.732 -1.376 1.00 22.78 O ATOM 1722 CB GLN B 92 59.395 58.240 0.477 1.00 24.79 C ATOM 1723 CG GLN B 92 59.452 56.722 0.570 1.00 24.63 C ATOM 1724 CD GLN B 92 58.175 56.130 1.123 1.00 25.56 C ATOM 1725 OE1 GLN B 92 57.108 56.738 1.036 1.00 27.05 O ATOM 1726 NE2 GLN B 92 58.277 54.939 1.701 1.00 27.14 N ATOM 1727 HE22 GLN B 92 59.200 54.463 1.751 1.00 0.00 H ATOM 1728 HE21 GLN B 92 57.434 54.482 2.103 1.00 0.00 H ATOM 1729 H GLN B 92 61.840 58.151 1.222 1.00 0.00 H ATOM 1730 N ILE B 93 60.945 61.190 0.269 1.00 20.86 N ATOM 1731 CA ILE B 93 60.825 62.636 0.121 1.00 18.42 C ATOM 1732 C ILE B 93 61.992 63.222 -0.669 1.00 20.98 C ATOM 1733 O ILE B 93 62.130 64.445 -0.746 1.00 30.21 O ATOM 1734 CB ILE B 93 60.680 63.324 1.491 1.00 24.70 C ATOM 1735 CG1 ILE B 93 61.959 63.183 2.321 1.00 22.32 C ATOM 1736 CG2 ILE B 93 59.492 62.732 2.251 1.00 21.39 C ATOM 1737 CD1 ILE B 93 61.980 64.057 3.560 1.00 22.91 C ATOM 1738 H ILE B 93 61.564 60.807 1.012 1.00 0.00 H ATOM 1739 N GLY B 94 62.830 62.378 -1.263 1.00 25.36 N ATOM 1740 CA GLY B 94 63.927 62.847 -2.096 1.00 29.56 C ATOM 1741 C GLY B 94 65.057 63.501 -1.331 1.00 29.50 C ATOM 1742 O GLY B 94 65.678 64.445 -1.839 1.00 23.57 O ATOM 1743 H GLY B 94 62.698 61.355 -1.129 1.00 0.00 H ATOM 1744 N CYS B 95 65.351 63.015 -0.128 1.00 23.44 N ATOM 1745 CA CYS B 95 66.372 63.612 0.720 1.00 19.24 C ATOM 1746 C CYS B 95 67.736 63.013 0.407 1.00 20.89 C ATOM 1747 O CYS B 95 67.881 61.790 0.312 1.00 21.13 O ATOM 1748 CB CYS B 95 66.029 63.410 2.197 1.00 24.67 C ATOM 1749 SG CYS B 95 67.193 64.198 3.334 1.00 21.66 S ATOM 1750 H CYS B 95 64.834 62.181 0.218 1.00 0.00 H ATOM 1751 N THR B 96 68.731 63.883 0.253 1.00 19.29 N ATOM 1752 CA THR B 96 70.090 63.479 -0.067 1.00 19.91 C ATOM 1753 C THR B 96 71.071 64.168 0.871 1.00 18.29 C ATOM 1754 O THR B 96 70.788 65.230 1.433 1.00 19.88 O ATOM 1755 CB THR B 96 70.450 63.822 -1.522 1.00 26.08 C ATOM 1756 OG1 THR B 96 70.322 65.234 -1.731 1.00 20.36 O ATOM 1757 CG2 THR B 96 69.537 63.085 -2.489 1.00 29.44 C ATOM 1758 HG1 THR B 96 69.389 65.510 -1.549 1.00 0.00 H ATOM 1759 H THR B 96 68.527 64.897 0.367 1.00 0.00 H ATOM 1760 N LEU B 97 72.230 63.537 1.041 1.00 19.70 N ATOM 1761 CA LEU B 97 73.372 64.160 1.693 1.00 19.94 C ATOM 1762 C LEU B 97 74.259 64.797 0.633 1.00 25.12 C ATOM 1763 O LEU B 97 74.463 64.228 -0.442 1.00 23.88 O ATOM 1764 CB LEU B 97 74.172 63.133 2.497 1.00 21.80 C ATOM 1765 CG LEU B 97 73.604 62.693 3.847 1.00 18.75 C ATOM 1766 CD1 LEU B 97 74.395 61.513 4.389 1.00 19.92 C ATOM 1767 CD2 LEU B 97 73.625 63.839 4.840 1.00 19.73 C ATOM 1768 H LEU B 97 72.323 62.561 0.695 1.00 0.00 H ATOM 1769 N ASN B 98 74.780 65.985 0.935 1.00 18.58 N ATOM 1770 CA ASN B 98 75.563 66.735 -0.038 1.00 22.62 C ATOM 1771 C ASN B 98 76.731 67.422 0.650 1.00 22.45 C ATOM 1772 O ASN B 98 76.547 68.099 1.665 1.00 21.09 O ATOM 1773 CB ASN B 98 74.696 67.774 -0.756 1.00 22.39 C ATOM 1774 CG ASN B 98 73.494 67.156 -1.438 1.00 22.94 C ATOM 1775 OD1 ASN B 98 72.477 66.884 -0.800 1.00 23.59 O ATOM 1776 ND2 ASN B 98 73.603 66.935 -2.741 1.00 26.86 N ATOM 1777 HD22 ASN B 98 74.483 67.181 -3.238 1.00 0.00 H ATOM 1778 HD21 ASN B 98 72.809 66.515 -3.265 1.00 0.00 H ATOM 1779 H ASN B 98 74.625 66.384 1.883 1.00 0.00 H ATOM 1780 N PHE B 99 77.924 67.244 0.093 1.00 20.31 N ATOM 1781 CA PHE B 99 79.100 67.982 0.534 1.00 21.66 C ATOM 1782 C PHE B 99 80.161 67.968 -0.561 1.00 32.49 C ATOM 1783 O PHE B 99 81.187 68.642 -0.467 1.00 27.11 O ATOM 1784 CB PHE B 99 79.660 67.400 1.835 1.00 25.55 C ATOM 1785 CG PHE B 99 80.130 65.979 1.719 1.00 20.45 C ATOM 1786 CD1 PHE B 99 79.264 64.929 1.970 1.00 22.69 C ATOM 1787 CD2 PHE B 99 81.443 65.692 1.380 1.00 26.60 C ATOM 1788 CE1 PHE B 99 79.693 63.620 1.875 1.00 23.85 C ATOM 1789 CE2 PHE B 99 81.878 64.385 1.283 1.00 28.80 C ATOM 1790 CZ PHE B 99 81.002 63.347 1.530 1.00 30.61 C ATOM 1791 OXT PHE B 99 80.008 67.284 -1.573 1.00 32.94 O ATOM 1792 H PHE B 99 78.021 66.557 -0.682 1.00 0.00 H TER 1793 PHE B 99 HETATM 1794 O HOH 1 61.350 71.203 16.622 1.00 27.55 O HETATM 1795 O HOH 2 81.861 70.268 1.002 1.00 32.03 O HETATM 1796 O HOH 3 65.289 48.061 7.672 1.00 35.42 O HETATM 1797 O HOH 4 49.503 64.213 4.867 1.00 36.35 O HETATM 1798 O HOH 5 63.868 53.710 1.066 1.00 29.18 O HETATM 1799 O HOH 6 56.943 62.505 -1.188 1.00 25.60 O HETATM 1800 O HOH 7 58.136 48.761 23.144 1.00 31.00 O HETATM 1801 O HOH 8 43.829 63.861 14.996 1.00 29.50 O HETATM 1802 O HOH 9 69.721 71.054 11.532 1.00 18.61 O HETATM 1803 O HOH 10 52.553 64.109 19.787 1.00 36.02 O HETATM 1804 O HOH 11 71.904 49.953 28.057 1.00 33.96 O HETATM 1805 O HOH 12 53.934 45.003 10.715 1.00 34.08 O HETATM 1806 O HOH 13 67.055 71.866 15.831 1.00 24.50 O HETATM 1807 O HOH 14 47.767 49.072 17.308 1.00 28.25 O HETATM 1808 O HOH 15 66.573 75.773 2.131 1.00 37.34 O HETATM 1809 O HOH 16 71.904 74.315 11.357 1.00 20.23 O HETATM 1810 O HOH 17 50.545 52.432 24.412 1.00 38.31 O HETATM 1811 O HOH 18 67.607 59.490 -0.959 1.00 18.56 O HETATM 1812 O HOH 19 46.442 66.913 15.636 1.00 32.16 O HETATM 1813 O HOH 20 67.947 65.822 -2.821 1.00 22.84 O HETATM 1814 O HOH 21 71.339 54.411 7.978 1.00 18.75 O HETATM 1815 O HOH 22 48.952 58.516 9.395 1.00 26.66 O HETATM 1816 O HOH 23 65.533 71.376 10.493 1.00 24.71 O HETATM 1817 O HOH 24 71.866 76.703 3.824 1.00 31.19 O HETATM 1818 O HOH 25 55.040 70.010 15.906 1.00 27.76 O HETATM 1819 O HOH 26 59.692 72.622 12.993 1.00 34.64 O HETATM 1820 O HOH 27 64.882 65.104 -4.409 1.00 24.46 O HETATM 1821 O HOH 28 49.975 62.230 7.538 1.00 34.05 O HETATM 1822 O HOH 29 58.319 39.691 15.244 1.00 28.53 O HETATM 1823 O HOH 30 65.446 59.991 -2.633 1.00 28.52 O HETATM 1824 O HOH 31 69.829 46.149 25.061 1.00 36.95 O HETATM 1825 O HOH 32 59.120 51.571 4.693 1.00 20.97 O HETATM 1826 O HOH 33 55.384 49.712 5.113 1.00 25.50 O HETATM 1827 O HOH 34 67.556 44.277 14.695 1.00 34.23 O HETATM 1828 O HOH 35 65.974 51.545 5.111 1.00 20.50 O HETATM 1829 O HOH 36 69.892 52.147 11.787 1.00 15.77 O HETATM 1830 O HOH 37 50.976 47.198 10.188 1.00 27.17 O HETATM 1831 O HOH 38 59.355 71.699 9.797 1.00 29.58 O HETATM 1832 O HOH 39 57.154 66.135 18.979 1.00 23.12 O HETATM 1833 O HOH 40 69.538 74.986 8.033 1.00 33.21 O HETATM 1834 O HOH 41 55.629 59.997 18.710 1.00 24.02 O HETATM 1835 O HOH 42 69.583 76.345 5.650 1.00 36.89 O HETATM 1836 O HOH 43 62.722 48.071 25.271 1.00 21.19 O HETATM 1837 O HOH 44 48.831 67.907 16.623 1.00 32.33 O HETATM 1838 O HOH 45 48.976 43.136 15.957 1.00 24.89 O HETATM 1839 O HOH 46 69.029 47.246 14.606 1.00 22.03 O HETATM 1840 O HOH 47 70.352 71.063 18.347 1.00 20.84 O HETATM 1841 O HOH 48 66.247 67.189 20.214 1.00 22.31 O HETATM 1842 O HOH 49 65.768 43.095 13.173 1.00 36.53 O HETATM 1843 O HOH 50 77.509 72.540 15.637 1.00 35.36 O HETATM 1844 O HOH 51 58.950 57.362 23.742 1.00 23.81 O HETATM 1845 O HOH 52 55.200 59.306 24.494 1.00 36.23 O HETATM 1846 O HOH 53 56.108 62.959 20.187 1.00 35.14 O HETATM 1847 O HOH 54 61.012 64.371 19.282 1.00 34.26 O HETATM 1848 O HOH 55 70.461 50.105 13.621 1.00 20.11 O HETATM 1849 O HOH 56 68.189 49.966 3.301 1.00 34.03 O HETATM 1850 O HOH 57 75.928 68.060 -4.428 1.00 36.05 O HETATM 1851 O HOH 58 67.199 64.176 23.314 1.00 45.18 O HETATM 1852 O HOH 59 65.421 45.735 9.480 1.00 38.38 O HETATM 1853 O HOH 60 47.611 51.211 7.144 1.00 37.38 O HETATM 1854 O HOH 61 49.001 57.746 22.964 1.00 44.65 O HETATM 1855 O HOH 62 53.929 68.420 7.182 1.00 34.83 O HETATM 1856 O HOH 63 60.867 47.926 7.737 1.00 32.18 O HETATM 1857 O HOH 64 47.475 36.785 10.313 1.00 43.92 O HETATM 1858 O HOH 65 61.637 47.167 9.514 1.00 39.16 O HETATM 1859 O HOH 66 61.432 59.263 -4.489 1.00 27.98 O HETATM 1860 O HOH 67 58.406 51.618 2.399 1.00 38.90 O HETATM 1861 O HOH 68 47.441 62.452 8.780 1.00 38.31 O HETATM 1862 O HOH 69 67.504 72.608 11.705 1.00 22.82 O HETATM 1863 O HOH 70 76.919 77.030 6.521 1.00 35.00 O HETATM 1864 O HOH 71 72.000 46.796 15.343 1.00 27.08 O HETATM 1865 O HOH 72 76.837 70.637 -1.532 1.00 38.45 O HETATM 1866 O HOH 73 59.981 71.972 -0.082 1.00 39.52 O HETATM 1867 O HOH 74 74.933 77.321 4.366 1.00 35.51 O HETATM 1868 O HOH 75 68.330 71.710 18.628 1.00 37.95 O HETATM 1869 O HOH 76 73.967 71.156 -2.737 1.00 44.36 O HETATM 1870 O HOH 77 60.214 57.327 -3.979 1.00 34.18 O HETATM 1871 O HOH 78 68.697 62.542 24.034 1.00 43.21 O HETATM 1872 O HOH 79 53.356 70.159 8.442 1.00 37.98 O HETATM 1873 O HOH 80 77.215 73.983 6.254 1.00 38.69 O HETATM 1874 O HOH 81 61.182 73.244 9.478 1.00 41.50 O HETATM 1875 O HOH 82 71.740 73.485 19.017 1.00 39.03 O HETATM 1876 O HOH 83 63.459 66.202 19.978 1.00 32.29 O HETATM 1877 O HOH 84 92.491 64.111 23.523 1.00 28.60 O HETATM 1878 O HOH 85 81.295 66.068 19.709 1.00 34.23 O HETATM 1879 O HOH 86 92.000 50.522 14.535 1.00 45.32 O HETATM 1880 O HOH 87 77.765 67.168 21.395 1.00 30.37 O HETATM 1881 O HOH 88 87.197 70.108 5.218 1.00 27.51 O HETATM 1882 O HOH 89 83.305 70.455 15.106 1.00 19.75 O HETATM 1883 O HOH 90 78.291 53.538 0.865 1.00 36.80 O HETATM 1884 O HOH 91 83.810 51.647 27.067 1.00 35.94 O HETATM 1885 O HOH 92 76.699 59.359 -4.703 1.00 36.35 O HETATM 1886 O HOH 93 88.347 68.600 19.229 1.00 17.48 O HETATM 1887 O HOH 94 80.679 46.527 14.003 1.00 35.51 O HETATM 1888 O HOH 95 80.421 49.237 7.662 1.00 36.08 O HETATM 1889 O HOH 96 87.003 51.973 14.774 1.00 28.61 O HETATM 1890 O HOH 97 73.707 55.807 0.813 1.00 19.82 O HETATM 1891 O HOH 98 74.176 51.046 29.540 1.00 28.06 O HETATM 1892 O HOH 99 94.323 61.095 13.028 1.00 23.81 O HETATM 1893 O HOH 100 66.474 53.693 25.855 1.00 29.56 O HETATM 1894 O HOH 101 76.072 71.712 7.826 1.00 19.49 O HETATM 1895 O HOH 102 71.527 55.039 -2.092 1.00 21.47 O HETATM 1896 O HOH 103 83.738 46.661 12.345 1.00 32.12 O HETATM 1897 O HOH 104 89.886 71.511 15.579 1.00 18.25 O HETATM 1898 O HOH 105 68.142 49.209 26.340 1.00 27.99 O HETATM 1899 O HOH 106 77.477 68.360 17.755 1.00 21.33 O HETATM 1900 O HOH 107 81.956 48.016 18.457 1.00 20.52 O HETATM 1901 O HOH 108 75.979 51.118 2.161 1.00 29.15 O HETATM 1902 O HOH 109 80.454 62.157 30.229 1.00 34.41 O HETATM 1903 O HOH 110 70.605 56.592 -6.028 1.00 26.83 O HETATM 1904 O HOH 111 71.279 65.415 15.154 1.00 12.81 O HETATM 1905 O HOH 112 86.991 52.935 24.653 1.00 34.63 O HETATM 1906 O HOH 113 79.572 71.819 1.011 1.00 34.88 O HETATM 1907 O HOH 114 70.817 64.177 17.612 1.00 12.73 O HETATM 1908 O HOH 115 71.782 55.141 19.222 1.00 15.27 O HETATM 1909 O HOH 116 72.622 68.459 21.375 1.00 38.69 O HETATM 1910 O HOH 117 81.973 50.137 12.243 1.00 24.33 O HETATM 1911 O HOH 118 76.215 71.125 1.344 1.00 25.34 O HETATM 1912 O HOH 119 82.481 63.509 18.767 1.00 16.30 O HETATM 1913 O HOH 120 85.308 51.809 3.576 1.00 36.28 O HETATM 1914 O HOH 121 65.387 49.059 11.853 1.00 23.11 O HETATM 1915 O HOH 122 76.469 50.097 22.691 1.00 21.06 O HETATM 1916 O HOH 123 84.310 48.568 19.881 1.00 18.41 O HETATM 1917 O HOH 124 79.977 51.113 28.632 1.00 19.83 O HETATM 1918 O HOH 125 68.797 72.222 -1.659 1.00 29.57 O HETATM 1919 O HOH 126 87.619 52.545 0.050 1.00 37.99 O HETATM 1920 O HOH 127 84.403 68.480 17.360 1.00 18.30 O HETATM 1921 O HOH 128 75.755 70.409 17.699 1.00 33.70 O HETATM 1922 O HOH 129 86.344 49.948 11.539 1.00 40.56 O HETATM 1923 O HOH 130 99.504 55.763 7.874 1.00 39.38 O HETATM 1924 O HOH 131 85.462 70.167 3.368 1.00 28.33 O HETATM 1925 O HOH 132 69.626 58.651 25.261 1.00 28.23 O HETATM 1926 O HOH 133 82.768 49.757 9.909 1.00 32.42 O HETATM 1927 O HOH 134 74.298 57.726 -3.830 1.00 30.93 O HETATM 1928 O HOH 135 71.105 60.778 24.672 1.00 29.77 O HETATM 1929 O HOH 136 72.931 49.327 3.241 1.00 34.76 O HETATM 1930 O HOH 137 94.006 69.652 1.569 1.00 45.24 O HETATM 1931 O HOH 138 79.749 72.271 14.770 1.00 29.86 O HETATM 1932 O HOH 139 74.782 48.242 12.741 1.00 27.99 O HETATM 1933 O HOH 140 72.401 47.833 13.211 1.00 30.15 O HETATM 1934 O HOH 141 73.861 71.121 18.664 1.00 39.02 O HETATM 1935 O HOH 142 83.980 56.670 0.293 1.00 26.22 O HETATM 1936 O HOH 143 76.113 48.584 7.574 1.00 29.10 O HETATM 1937 O HOH 144 94.009 50.616 6.714 1.00 40.41 O HETATM 1938 O HOH 145 86.234 49.544 9.163 1.00 28.76 O HETATM 1939 O HOH 146 66.957 70.643 -3.046 1.00 34.89 O HETATM 1940 O HOH 147 77.681 73.570 2.013 1.00 40.28 O HETATM 1941 O HOH 148 75.408 65.166 22.977 1.00 34.87 O HETATM 1942 O HOH 149 79.289 46.750 5.225 1.00 35.83 O HETATM 1943 O HOH 150 82.726 67.700 23.652 1.00 42.55 O HETATM 1944 O HOH 151 82.826 53.095 0.843 1.00 31.19 O HETATM 1945 O HOH 152 74.150 69.677 20.469 1.00 42.37 O HETATM 1946 O HOH 153 97.668 60.558 8.447 1.00 35.14 O HETATM 1947 O HOH 154 77.415 74.100 4.143 1.00 39.31 O HETATM 1948 O HOH 155 84.123 47.696 6.921 1.00 37.89 O HETATM 1949 O HOH 156 81.757 65.469 23.031 1.00 36.85 O HETATM 1950 O HOH 157 79.761 47.455 11.536 1.00 33.42 O HETATM 1951 O HOH 158 76.380 55.434 -0.305 1.00 35.79 O HETATM 1952 O HOH 159 86.223 53.165 27.471 1.00 40.46 O HETATM 1953 O HOH 160 79.167 74.973 6.247 1.00 37.33 O HETATM 1954 O HOH 161 83.804 64.329 32.807 1.00 37.21 O HETATM 1955 O HOH 162 92.467 65.183 29.749 1.00 43.72 O HETATM 1956 O HOH 163 87.960 50.609 4.404 1.00 37.09 O HETATM 1957 O HOH 164 71.080 53.044 -4.116 1.00 37.87 O HETATM 1958 O HOH 165 67.782 68.041 -4.425 1.00 22.84 O HETATM 1959 O HOH 166 81.803 72.437 16.098 1.00 29.89 O HETATM 1960 O HOH 167 74.697 48.450 2.782 1.00 36.32 O HETATM 1961 O HOH 168 70.071 50.458 -3.712 1.00 33.46 O HETATM 1962 O HOH 169 83.554 47.396 9.237 1.00 36.83 O HETATM 1963 N1 K A 13 65.433 51.744 12.742 1.00 -0.34 N HETATM 1964 C2 K A 13 66.369 52.411 13.612 1.00 0.04 C HETATM 1965 C3 K A 13 66.134 53.865 13.995 1.00 -0.04 C HETATM 1966 C4 K A 13 67.117 54.577 14.909 1.00 -0.05 C HETATM 1967 C5 K A 13 68.328 53.823 15.445 1.00 0.09 C HETATM 1968 C6 K A 13 68.570 52.372 15.062 1.00 -0.05 C HETATM 1969 C7 K A 13 67.586 51.661 14.143 1.00 -0.04 C HETATM 1970 H6 K A 13 67.750 50.626 13.867 1.00 0.05 H HETATM 1971 H5 K A 13 69.439 51.846 15.441 1.00 0.06 H HETATM 1972 S8 K A 13 69.500 54.678 16.524 1.00 0.06 S HETATM 1973 O9 K A 13 68.846 55.762 17.261 1.00 -0.15 O HETATM 1974 O10 K A 13 70.000 53.810 17.587 1.00 -0.15 O HETATM 1975 N11 K A 13 70.772 55.243 15.530 1.00 -0.23 N HETATM 1976 C12 K A 13 71.533 54.196 14.860 1.00 0.03 C HETATM 1977 C13 K A 13 73.000 54.582 14.688 1.00 -0.03 C HETATM 1978 C14 K A 13 73.688 54.614 16.053 1.00 -0.06 C HETATM 1979 H10 K A 13 74.744 54.892 15.925 1.00 0.02 H HETATM 1980 H11 K A 13 73.625 53.620 16.519 1.00 0.02 H HETATM 1981 H12 K A 13 73.190 55.353 16.698 1.00 0.02 H HETATM 1982 C15 K A 13 73.693 53.570 13.773 1.00 -0.05 C HETATM 1983 C18 K A 13 73.668 52.156 14.358 1.00 -0.07 C HETATM 1984 H18 K A 13 74.175 51.465 13.669 1.00 0.02 H HETATM 1985 H19 K A 13 72.625 51.835 14.497 1.00 0.02 H HETATM 1986 H20 K A 13 74.186 52.151 15.329 1.00 0.02 H HETATM 1987 H13 K A 13 74.740 53.877 13.632 1.00 0.03 H HETATM 1988 H14 K A 13 73.179 53.561 12.800 1.00 0.03 H HETATM 1989 H9 K A 13 73.060 55.581 14.231 1.00 0.03 H HETATM 1990 H7 K A 13 71.094 54.016 13.868 1.00 0.05 H HETATM 1991 H8 K A 13 71.475 53.275 15.459 1.00 0.05 H HETATM 1992 C16 K A 13 70.520 56.474 14.802 1.00 0.06 C HETATM 1993 C17 K A 13 71.416 57.596 15.330 1.00 0.10 C HETATM 1994 O18 K A 13 71.262 58.734 14.530 1.00 -0.39 O HETATM 1995 H21 K A 13 71.508 58.527 13.636 1.00 0.21 H HETATM 1996 C19 K A 13 71.062 57.965 16.765 1.00 0.08 C HETATM 1997 N20 K A 13 72.055 58.919 17.211 1.00 -0.26 N HETATM 1998 C21 K A 13 73.050 58.598 18.207 1.00 0.32 C HETATM 1999 O22 K A 13 73.054 57.552 18.768 1.00 -0.38 O HETATM 2000 O23 K A 13 74.002 59.591 18.454 1.00 -0.26 O HETATM 2001 C24 K A 13 74.822 59.508 19.708 1.00 0.12 C HETATM 2002 C25 K A 13 75.991 59.914 19.431 1.00 0.08 C HETATM 2003 O26 K A 13 75.854 61.549 19.406 1.00 -0.35 O HETATM 2004 C27 K A 13 74.982 61.860 20.304 1.00 0.16 C HETATM 2005 O28 K A 13 73.808 62.723 19.701 1.00 -0.35 O HETATM 2006 C29 K A 13 72.756 61.933 19.648 1.00 0.05 C HETATM 2007 C30 K A 13 73.011 60.749 20.731 1.00 -0.02 C HETATM 2008 C31 K A 13 74.338 60.542 20.764 1.00 0.04 C HETATM 2009 H32 K A 13 74.657 60.249 21.775 1.00 0.04 H HETATM 2010 H30 K A 13 72.491 59.831 20.420 1.00 0.03 H HETATM 2011 H31 K A 13 72.650 61.057 21.723 1.00 0.03 H HETATM 2012 H28 K A 13 72.651 61.508 18.639 1.00 0.06 H HETATM 2013 H29 K A 13 71.846 62.494 19.907 1.00 0.06 H HETATM 2014 H27 K A 13 75.463 62.390 21.139 1.00 0.09 H HETATM 2015 H25 K A 13 76.314 59.535 18.450 1.00 0.06 H HETATM 2016 H26 K A 13 76.708 59.594 20.202 1.00 0.06 H HETATM 2017 H24 K A 13 74.817 58.484 20.110 1.00 0.07 H HETATM 2018 H23 K A 13 72.052 59.837 16.814 1.00 0.19 H HETATM 2019 C32 K A 13 69.704 58.660 16.842 1.00 0.01 C HETATM 2020 C38 K A 13 69.468 59.124 18.277 1.00 -0.04 C HETATM 2021 C33 K A 13 69.115 58.102 19.356 1.00 -0.06 C HETATM 2022 C34 K A 13 68.884 58.559 20.797 1.00 -0.07 C HETATM 2023 C35 K A 13 69.002 60.039 21.155 1.00 -0.07 C HETATM 2024 C36 K A 13 69.355 61.061 20.076 1.00 -0.07 C HETATM 2025 C37 K A 13 69.588 60.603 18.636 1.00 -0.06 C HETATM 2026 H39 K A 13 69.838 61.328 17.870 1.00 0.06 H HETATM 2027 H38 K A 13 69.440 62.111 20.331 1.00 0.06 H HETATM 2028 H37 K A 13 68.835 60.364 22.175 1.00 0.06 H HETATM 2029 H36 K A 13 68.637 57.833 21.563 1.00 0.06 H HETATM 2030 H35 K A 13 69.028 57.052 19.100 1.00 0.06 H HETATM 2031 H33 K A 13 68.912 57.957 16.546 1.00 0.04 H HETATM 2032 H34 K A 13 69.695 59.528 16.167 1.00 0.04 H HETATM 2033 H22 K A 13 71.064 57.066 17.400 1.00 0.06 H HETATM 2034 H17 K A 13 72.463 57.261 15.293 1.00 0.06 H HETATM 2035 H15 K A 13 69.466 56.761 14.929 1.00 0.05 H HETATM 2036 H16 K A 13 70.730 56.314 13.734 1.00 0.05 H HETATM 2037 H4 K A 13 66.958 55.615 15.178 1.00 0.06 H HETATM 2038 H3 K A 13 65.266 54.392 13.616 1.00 0.05 H HETATM 2039 H1 K A 13 64.611 52.251 12.384 1.00 0.17 H HETATM 2040 H2 K A 13 65.586 50.760 12.479 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 884 885 890 891 892 CONECT 891 884 CONECT 892 884 CONECT 1963 1964 2039 2040 CONECT 1964 1963 1965 1969 CONECT 1965 1964 1966 2038 CONECT 1966 1965 1967 2037 CONECT 1967 1966 1968 1972 CONECT 1968 1967 1969 1971 CONECT 1969 1964 1968 1970 CONECT 1970 1969 CONECT 1971 1968 CONECT 1972 1967 1973 1974 1975 CONECT 1973 1972 CONECT 1974 1972 CONECT 1975 1972 1976 1992 CONECT 1976 1975 1977 1990 1991 CONECT 1977 1976 1978 1982 1989 CONECT 1978 1977 1979 1980 1981 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1978 CONECT 1982 1977 1983 1987 1988 CONECT 1983 1982 1984 1985 1986 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1983 CONECT 1987 1982 CONECT 1988 1982 CONECT 1989 1977 CONECT 1990 1976 CONECT 1991 1976 CONECT 1992 1975 1993 2035 2036 CONECT 1993 1992 1994 1996 2034 CONECT 1994 1993 1995 CONECT 1995 1994 CONECT 1996 1993 1997 2019 2033 CONECT 1997 1996 1998 2018 CONECT 1998 1997 1999 2000 CONECT 1999 1998 CONECT 2000 1998 2001 CONECT 2001 2000 2002 2008 2017 CONECT 2002 2001 2003 2015 2016 CONECT 2003 2002 2004 CONECT 2004 2003 2005 2008 2014 CONECT 2005 2004 2006 CONECT 2006 2005 2007 2012 2013 CONECT 2007 2006 2008 2010 2011 CONECT 2008 2001 2004 2007 2009 CONECT 2009 2008 CONECT 2010 2007 CONECT 2011 2007 CONECT 2012 2006 CONECT 2013 2006 CONECT 2014 2004 CONECT 2015 2002 CONECT 2016 2002 CONECT 2017 2001 CONECT 2018 1997 CONECT 2019 1996 2020 2031 2032 CONECT 2020 2019 2021 2025 CONECT 2021 2020 2022 2030 CONECT 2022 2021 2023 2029 CONECT 2023 2022 2024 2028 CONECT 2024 2023 2025 2027 CONECT 2025 2020 2024 2026 CONECT 2026 2025 CONECT 2027 2024 CONECT 2028 2023 CONECT 2029 2022 CONECT 2030 2021 CONECT 2031 2019 CONECT 2032 2019 CONECT 2033 1996 CONECT 2034 1993 CONECT 2035 1992 CONECT 2036 1992 CONECT 2037 1966 CONECT 2038 1965 CONECT 2039 1963 CONECT 2040 1963 MASTER 0 0 0 0 0 0 0 0 2038 2 84 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 6dh4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o99
RCSB PDB
PDBbind
K13
6dgy
RCSB PDB
PDBbind
K13
6dh1
RCSB PDB
PDBbind
K13
6dh7
RCSB PDB
PDBbind
K13
Entry Information
PDB ID
6dh4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease V82I Mutant
Ligand Name
K13
EC.Number
E.C.-.-.-.-
Resolution
1.94(Å)
Affinity (Kd/Ki/IC50)
Ki=5pM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Infect Dis Vol. 5: pp. 316-325
Ligand Properties
Formula
C
2
8
H
3
9
N
3
O
7
S
Molecular Weight
561.690
Exact Mass
561.251
No. of atoms
78
No. of bonds
81
Polar Surface Area
148.8
LOGP Value
3.30 (
Computed with XLOGP3
)
4.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/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):
Q6B6C5
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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