Browse entries in the PDBbind-CN Database
HEADER 6O57_COMPLEX COMPND 6O57_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO ILE VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU ARG GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU ASP ILE ASP LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS LEU ILE VAL GLY ILE GLY GLY SEQRES 5 A 99 PHE VAL LYS VAL ARG GLN TYR GLU GLN VAL PRO ILE GLU SEQRES 6 A 99 ILE ALA GLY HIS LYS VAL VAL GLY THR VAL LEU ILE GLY SEQRES 7 A 99 PRO THR PRO SER ASN ILE ILE GLY ARG ASN LEU MET THR SEQRES 8 A 99 GLN LEU GLY ALA THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO ILE VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU ARG GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU ASP ILE ASP LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS LEU ILE VAL GLY ILE GLY GLY SEQRES 5 B 99 PHE VAL LYS VAL ARG GLN TYR GLU GLN VAL PRO ILE GLU SEQRES 6 B 99 ILE ALA GLY HIS LYS VAL VAL GLY THR VAL LEU ILE GLY SEQRES 7 B 99 PRO THR PRO SER ASN ILE ILE GLY ARG ASN LEU MET THR SEQRES 8 B 99 GLN LEU GLY ALA THR LEU ASN PHE HET MOL A 270 123 ATOM 1 N PRO A 1 80.605 -3.323 16.008 1.00 60.54 N ATOM 2 CA PRO A 1 79.803 -4.114 15.075 1.00 57.23 C ATOM 3 C PRO A 1 80.018 -3.708 13.610 1.00 53.29 C ATOM 4 O PRO A 1 80.698 -2.688 13.321 1.00 49.13 O ATOM 5 CB PRO A 1 78.341 -3.868 15.498 1.00 57.88 C ATOM 6 CG PRO A 1 78.370 -2.561 16.259 1.00 58.29 C ATOM 7 CD PRO A 1 79.759 -2.458 16.843 1.00 63.93 C ATOM 8 HN2 PRO A 1 81.266 -2.730 15.467 1.00 0.00 H ATOM 9 HN1 PRO A 1 81.142 -3.967 16.623 1.00 0.00 H ATOM 10 N GLN A 2 79.521 -4.561 12.714 1.00 48.44 N ATOM 11 CA GLN A 2 79.299 -4.257 11.332 1.00 46.30 C ATOM 12 C GLN A 2 77.791 -4.144 11.182 1.00 47.28 C ATOM 13 O GLN A 2 77.054 -5.018 11.681 1.00 54.38 O ATOM 14 CB GLN A 2 79.848 -5.304 10.369 1.00 51.30 C ATOM 15 CG GLN A 2 79.349 -5.077 8.962 1.00 52.66 C ATOM 16 CD GLN A 2 79.930 -6.001 7.925 1.00 64.93 C ATOM 17 OE1 GLN A 2 79.231 -6.908 7.435 1.00 74.54 O ATOM 18 NE2 GLN A 2 81.192 -5.744 7.568 1.00 59.85 N ATOM 19 HE22 GLN A 2 81.713 -4.968 8.023 1.00 0.00 H ATOM 20 HE21 GLN A 2 81.653 -6.320 6.835 1.00 0.00 H ATOM 21 H GLN A 2 79.277 -5.517 13.043 1.00 0.00 H ATOM 22 N ILE A 3 77.305 -3.001 10.679 1.00 39.15 N ATOM 23 CA ILE A 3 75.877 -2.807 10.647 1.00 37.93 C ATOM 24 C ILE A 3 75.476 -2.728 9.167 1.00 40.97 C ATOM 25 O ILE A 3 75.931 -1.849 8.415 1.00 38.35 O ATOM 26 CB ILE A 3 75.435 -1.563 11.437 1.00 42.29 C ATOM 27 CG1 ILE A 3 75.852 -1.670 12.910 1.00 43.90 C ATOM 28 CG2 ILE A 3 73.909 -1.385 11.296 1.00 38.91 C ATOM 29 CD1 ILE A 3 75.672 -0.412 13.652 1.00 49.21 C ATOM 30 H ILE A 3 77.947 -2.267 10.318 1.00 0.00 H ATOM 31 N THR A 4 74.532 -3.593 8.756 1.00 37.73 N ATOM 32 CA THR A 4 73.976 -3.561 7.405 1.00 38.15 C ATOM 33 C THR A 4 72.814 -2.595 7.357 1.00 35.62 C ATOM 34 O THR A 4 72.263 -2.252 8.384 1.00 37.21 O ATOM 35 CB THR A 4 73.575 -4.958 6.887 1.00 37.55 C ATOM 36 OG1 THR A 4 72.650 -5.502 7.808 1.00 39.39 O ATOM 37 CG2 THR A 4 74.789 -5.833 6.701 1.00 43.86 C ATOM 38 HG1 THR A 4 73.075 -5.571 8.699 1.00 0.00 H ATOM 39 H THR A 4 74.185 -4.311 9.424 1.00 0.00 H ATOM 40 N LEU A 5 72.484 -2.162 6.134 1.00 34.66 N ATOM 41 CA LEU A 5 71.615 -0.975 5.944 1.00 30.87 C ATOM 42 C LEU A 5 70.309 -1.315 5.260 1.00 34.22 C ATOM 43 O LEU A 5 69.591 -0.430 4.861 1.00 32.91 O ATOM 44 CB LEU A 5 72.388 0.078 5.167 1.00 31.74 C ATOM 45 CG LEU A 5 73.553 0.657 5.954 1.00 34.17 C ATOM 46 CD1 LEU A 5 74.387 1.557 5.033 1.00 37.30 C ATOM 47 CD2 LEU A 5 73.034 1.429 7.189 1.00 33.21 C ATOM 48 H LEU A 5 72.844 -2.668 5.300 1.00 0.00 H ATOM 49 N TRP A 6 69.893 -2.579 5.300 1.00 32.29 N ATOM 50 CA TRP A 6 68.524 -2.997 4.839 1.00 31.74 C ATOM 51 C TRP A 6 67.448 -2.551 5.803 1.00 33.78 C ATOM 52 O TRP A 6 66.297 -2.499 5.395 1.00 33.65 O ATOM 53 CB TRP A 6 68.475 -4.497 4.517 1.00 30.69 C ATOM 54 CG TRP A 6 68.820 -5.341 5.684 1.00 30.70 C ATOM 55 CD1 TRP A 6 70.027 -5.935 5.937 1.00 34.89 C ATOM 56 CD2 TRP A 6 67.920 -5.771 6.722 1.00 29.37 C ATOM 57 NE1 TRP A 6 69.927 -6.702 7.063 1.00 36.24 N ATOM 58 CE2 TRP A 6 68.661 -6.606 7.567 1.00 33.28 C ATOM 59 CE3 TRP A 6 66.586 -5.509 7.045 1.00 32.84 C ATOM 60 CZ2 TRP A 6 68.124 -7.171 8.725 1.00 37.05 C ATOM 61 CZ3 TRP A 6 66.058 -6.100 8.160 1.00 35.65 C ATOM 62 CH2 TRP A 6 66.820 -6.902 8.989 1.00 34.70 C ATOM 63 HE1 TRP A 6 70.695 -7.271 7.473 1.00 0.00 H ATOM 64 H TRP A 6 70.541 -3.306 5.665 1.00 0.00 H ATOM 65 N GLN A 7 67.848 -2.223 7.033 1.00 32.58 N ATOM 66 CA GLN A 7 66.994 -1.652 8.092 1.00 36.70 C ATOM 67 C GLN A 7 67.638 -0.324 8.486 1.00 33.92 C ATOM 68 O GLN A 7 68.821 -0.092 8.329 1.00 33.11 O ATOM 69 CB GLN A 7 67.009 -2.572 9.326 1.00 40.25 C ATOM 70 CG GLN A 7 68.437 -3.043 9.529 1.00 48.22 C ATOM 71 CD GLN A 7 68.804 -3.881 10.714 1.00 58.73 C ATOM 72 OE1 GLN A 7 69.979 -4.257 10.859 1.00 61.28 O ATOM 73 NE2 GLN A 7 67.805 -4.195 11.528 1.00 68.61 N ATOM 74 HE22 GLN A 7 66.847 -3.839 11.337 1.00 0.00 H ATOM 75 HE21 GLN A 7 67.980 -4.797 12.358 1.00 0.00 H ATOM 76 H GLN A 7 68.849 -2.384 7.265 1.00 0.00 H ATOM 77 N ARG A 8 66.845 0.491 9.157 1.00 33.96 N ATOM 78 CA ARG A 8 67.387 1.653 9.813 1.00 33.44 C ATOM 79 C ARG A 8 68.390 1.217 10.866 1.00 33.52 C ATOM 80 O ARG A 8 68.116 0.355 11.706 1.00 33.92 O ATOM 81 CB ARG A 8 66.220 2.449 10.414 1.00 30.34 C ATOM 82 CG ARG A 8 65.296 3.111 9.403 1.00 33.91 C ATOM 83 CD ARG A 8 64.124 3.916 10.036 1.00 36.41 C ATOM 84 NE ARG A 8 63.203 4.407 9.017 1.00 37.16 N ATOM 85 CZ ARG A 8 61.947 4.793 9.223 1.00 41.43 C ATOM 86 NH1 ARG A 8 61.440 4.691 10.431 1.00 41.67 N ATOM 87 NH2 ARG A 8 61.181 5.268 8.256 1.00 36.48 N ATOM 88 HE ARG A 8 63.561 4.460 8.042 1.00 0.00 H ATOM 89 HH12 ARG A 8 60.460 4.988 10.610 1.00 0.00 H ATOM 90 HH11 ARG A 8 62.019 4.313 11.208 1.00 0.00 H ATOM 91 HH22 ARG A 8 60.204 5.558 8.462 1.00 0.00 H ATOM 92 HH21 ARG A 8 61.556 5.351 7.289 1.00 0.00 H ATOM 93 H ARG A 8 65.825 0.293 9.212 1.00 0.00 H ATOM 94 N PRO A 9 69.583 1.822 10.849 1.00 35.74 N ATOM 95 CA PRO A 9 70.623 1.485 11.818 1.00 34.12 C ATOM 96 C PRO A 9 70.460 2.130 13.209 1.00 37.77 C ATOM 97 O PRO A 9 71.063 3.195 13.531 1.00 38.25 O ATOM 98 CB PRO A 9 71.881 1.984 11.112 1.00 34.00 C ATOM 99 CG PRO A 9 71.400 3.193 10.339 1.00 33.54 C ATOM 100 CD PRO A 9 70.021 2.829 9.853 1.00 34.49 C ATOM 101 N ILE A 10 69.582 1.510 14.033 1.00 37.65 N ATOM 102 CA ILE A 10 69.184 2.041 15.336 1.00 36.42 C ATOM 103 C ILE A 10 70.071 1.395 16.411 1.00 37.97 C ATOM 104 O ILE A 10 70.279 0.199 16.356 1.00 40.25 O ATOM 105 CB ILE A 10 67.672 1.814 15.545 1.00 42.58 C ATOM 106 CG1 ILE A 10 66.881 2.726 14.585 1.00 48.38 C ATOM 107 CG2 ILE A 10 67.281 2.097 17.001 1.00 42.64 C ATOM 108 CD1 ILE A 10 65.458 2.301 14.337 1.00 55.47 C ATOM 109 H ILE A 10 69.169 0.608 13.722 1.00 0.00 H ATOM 110 N VAL A 11 70.624 2.176 17.345 1.00 39.13 N ATOM 111 CA VAL A 11 71.396 1.698 18.517 1.00 40.14 C ATOM 112 C VAL A 11 70.783 2.171 19.843 1.00 42.72 C ATOM 113 O VAL A 11 70.098 3.176 19.855 1.00 36.86 O ATOM 114 CB VAL A 11 72.866 2.167 18.421 1.00 42.86 C ATOM 115 CG1 VAL A 11 73.518 1.551 17.198 1.00 46.29 C ATOM 116 CG2 VAL A 11 73.028 3.686 18.397 1.00 42.21 C ATOM 117 H VAL A 11 70.503 3.204 17.241 1.00 0.00 H ATOM 118 N THR A 12 71.123 1.467 20.947 1.00 40.86 N ATOM 119 CA THR A 12 70.820 1.889 22.310 1.00 43.01 C ATOM 120 C THR A 12 71.888 2.867 22.779 1.00 42.91 C ATOM 121 O THR A 12 73.080 2.676 22.557 1.00 43.26 O ATOM 122 CB THR A 12 70.725 0.647 23.219 1.00 47.88 C ATOM 123 OG1 THR A 12 69.641 -0.111 22.688 1.00 46.01 O ATOM 124 CG2 THR A 12 70.411 0.949 24.666 1.00 52.39 C ATOM 125 HG1 THR A 12 69.519 -0.933 23.227 1.00 0.00 H ATOM 126 H THR A 12 71.632 0.570 20.816 1.00 0.00 H ATOM 127 N ILE A 13 71.472 3.920 23.459 1.00 35.19 N ATOM 128 CA ILE A 13 72.417 4.865 24.023 1.00 36.56 C ATOM 129 C ILE A 13 72.031 5.066 25.483 1.00 40.27 C ATOM 130 O ILE A 13 70.851 4.821 25.877 1.00 43.77 O ATOM 131 CB ILE A 13 72.442 6.201 23.275 1.00 37.70 C ATOM 132 CG1 ILE A 13 71.118 6.923 23.553 1.00 40.90 C ATOM 133 CG2 ILE A 13 72.711 6.021 21.785 1.00 42.88 C ATOM 134 CD1 ILE A 13 71.014 8.228 22.832 1.00 39.33 C ATOM 135 H ILE A 13 70.452 4.074 23.592 1.00 0.00 H ATOM 136 N LYS A 14 72.980 5.626 26.262 1.00 39.90 N ATOM 137 CA LYS A 14 72.704 5.938 27.643 1.00 38.56 C ATOM 138 C LYS A 14 73.132 7.379 27.861 1.00 42.43 C ATOM 139 O LYS A 14 74.305 7.795 27.561 1.00 39.93 O ATOM 140 CB LYS A 14 73.380 4.913 28.564 1.00 45.18 C ATOM 141 CG LYS A 14 73.041 5.015 30.051 1.00 53.52 C ATOM 142 CD LYS A 14 73.891 4.056 30.887 1.00 60.59 C ATOM 143 CE LYS A 14 74.173 2.733 30.200 1.00 66.37 C ATOM 144 NZ LYS A 14 74.592 1.698 31.180 1.00 75.60 N ATOM 145 HZ1 LYS A 14 75.457 2.012 31.665 1.00 0.00 H ATOM 146 HZ2 LYS A 14 73.834 1.556 31.877 1.00 0.00 H ATOM 147 HZ3 LYS A 14 74.778 0.805 30.681 1.00 0.00 H ATOM 148 H LYS A 14 73.918 5.834 25.864 1.00 0.00 H ATOM 149 N ILE A 15 72.149 8.157 28.295 1.00 39.69 N ATOM 150 CA ILE A 15 72.303 9.538 28.418 1.00 46.08 C ATOM 151 C ILE A 15 71.485 9.963 29.627 1.00 53.61 C ATOM 152 O ILE A 15 70.331 9.493 29.788 1.00 52.15 O ATOM 153 CB ILE A 15 71.932 10.247 27.107 1.00 44.08 C ATOM 154 CG1 ILE A 15 72.091 11.755 27.258 1.00 49.19 C ATOM 155 CG2 ILE A 15 70.530 9.887 26.633 1.00 44.63 C ATOM 156 CD1 ILE A 15 72.542 12.448 26.069 1.00 42.21 C ATOM 157 H ILE A 15 71.238 7.725 28.551 1.00 0.00 H ATOM 158 N GLY A 16 72.121 10.764 30.486 1.00 56.88 N ATOM 159 CA GLY A 16 71.528 11.229 31.717 1.00 59.74 C ATOM 160 C GLY A 16 70.965 10.081 32.530 1.00 56.12 C ATOM 161 O GLY A 16 69.859 10.206 33.039 1.00 64.84 O ATOM 162 H GLY A 16 73.089 11.067 30.257 1.00 0.00 H ATOM 163 N GLY A 17 71.702 8.965 32.604 1.00 58.16 N ATOM 164 CA GLY A 17 71.340 7.815 33.397 1.00 56.86 C ATOM 165 C GLY A 17 70.131 7.074 32.829 1.00 55.92 C ATOM 166 O GLY A 17 69.648 6.181 33.452 1.00 54.86 O ATOM 167 H GLY A 17 72.586 8.925 32.058 1.00 0.00 H ATOM 168 N GLN A 18 69.706 7.401 31.600 1.00 51.87 N ATOM 169 CA GLN A 18 68.549 6.806 30.927 1.00 50.72 C ATOM 170 C GLN A 18 68.947 6.139 29.599 1.00 51.00 C ATOM 171 O GLN A 18 69.801 6.658 28.865 1.00 48.29 O ATOM 172 CB GLN A 18 67.547 7.919 30.635 1.00 53.36 C ATOM 173 CG GLN A 18 66.872 8.450 31.880 1.00 54.24 C ATOM 174 CD GLN A 18 65.739 7.516 32.225 1.00 61.71 C ATOM 175 OE1 GLN A 18 65.867 6.694 33.121 1.00 58.53 O ATOM 176 NE2 GLN A 18 64.679 7.544 31.428 1.00 57.25 N ATOM 177 HE22 GLN A 18 64.611 8.261 30.678 1.00 0.00 H ATOM 178 HE21 GLN A 18 63.916 6.849 31.553 1.00 0.00 H ATOM 179 H GLN A 18 70.238 8.132 31.086 1.00 0.00 H ATOM 180 N LEU A 19 68.261 5.045 29.281 1.00 42.02 N ATOM 181 CA LEU A 19 68.424 4.342 28.049 1.00 44.85 C ATOM 182 C LEU A 19 67.456 4.888 26.991 1.00 40.30 C ATOM 183 O LEU A 19 66.235 4.998 27.239 1.00 36.24 O ATOM 184 CB LEU A 19 68.119 2.868 28.264 1.00 45.25 C ATOM 185 CG LEU A 19 69.035 2.046 29.168 1.00 49.42 C ATOM 186 CD1 LEU A 19 68.562 0.605 29.076 1.00 47.53 C ATOM 187 CD2 LEU A 19 70.514 2.162 28.764 1.00 50.91 C ATOM 188 H LEU A 19 67.568 4.682 29.967 1.00 0.00 H ATOM 189 N ARG A 20 67.979 5.176 25.798 1.00 34.06 N ATOM 190 CA ARG A 20 67.179 5.609 24.695 1.00 35.51 C ATOM 191 C ARG A 20 67.641 4.840 23.441 1.00 36.02 C ATOM 192 O ARG A 20 68.682 4.175 23.430 1.00 40.35 O ATOM 193 CB ARG A 20 67.308 7.129 24.533 1.00 34.29 C ATOM 194 CG ARG A 20 66.783 8.011 25.656 1.00 37.52 C ATOM 195 CD ARG A 20 65.264 7.862 25.702 1.00 35.51 C ATOM 196 NE ARG A 20 64.683 8.779 26.656 1.00 35.78 N ATOM 197 CZ ARG A 20 64.360 8.473 27.904 1.00 39.03 C ATOM 198 NH1 ARG A 20 63.810 9.397 28.665 1.00 35.63 N ATOM 199 NH2 ARG A 20 64.575 7.248 28.364 1.00 37.63 N ATOM 200 HE ARG A 20 64.505 9.753 26.339 1.00 0.00 H ATOM 201 HH12 ARG A 20 63.550 9.175 29.647 1.00 0.00 H ATOM 202 HH11 ARG A 20 63.636 10.349 28.284 1.00 0.00 H ATOM 203 HH22 ARG A 20 64.321 7.008 29.344 1.00 0.00 H ATOM 204 HH21 ARG A 20 64.997 6.527 27.745 1.00 0.00 H ATOM 205 H ARG A 20 69.006 5.082 25.665 1.00 0.00 H ATOM 206 N GLU A 21 66.874 4.949 22.342 1.00 34.77 N ATOM 207 CA GLU A 21 67.331 4.482 21.040 1.00 37.24 C ATOM 208 C GLU A 21 67.609 5.666 20.097 1.00 33.61 C ATOM 209 O GLU A 21 66.988 6.675 20.221 1.00 32.39 O ATOM 210 CB GLU A 21 66.236 3.594 20.460 1.00 41.15 C ATOM 211 CG GLU A 21 66.111 2.323 21.272 1.00 47.89 C ATOM 212 CD GLU A 21 65.358 1.216 20.556 1.00 57.65 C ATOM 213 OE1 GLU A 21 64.434 1.529 19.769 1.00 64.16 O ATOM 214 OE2 GLU A 21 65.762 0.050 20.717 1.00 71.42 O ATOM 215 H GLU A 21 65.930 5.378 22.424 1.00 0.00 H ATOM 216 N ALA A 22 68.498 5.504 19.139 1.00 30.10 N ATOM 217 CA ALA A 22 68.724 6.578 18.194 1.00 29.48 C ATOM 218 C ALA A 22 69.251 5.992 16.891 1.00 32.84 C ATOM 219 O ALA A 22 69.867 4.956 16.897 1.00 34.04 O ATOM 220 CB ALA A 22 69.758 7.545 18.736 1.00 31.80 C ATOM 221 H ALA A 22 69.032 4.615 19.062 1.00 0.00 H ATOM 222 N LEU A 23 69.124 6.788 15.826 1.00 31.59 N ATOM 223 CA LEU A 23 69.491 6.373 14.447 1.00 33.82 C ATOM 224 C LEU A 23 70.918 6.856 14.185 1.00 33.74 C ATOM 225 O LEU A 23 71.184 8.046 14.295 1.00 32.18 O ATOM 226 CB LEU A 23 68.498 7.038 13.513 1.00 36.26 C ATOM 227 CG LEU A 23 68.671 6.905 11.998 1.00 42.43 C ATOM 228 CD1 LEU A 23 68.076 5.592 11.574 1.00 45.19 C ATOM 229 CD2 LEU A 23 67.908 8.042 11.299 1.00 42.66 C ATOM 230 H LEU A 23 68.749 7.747 15.969 1.00 0.00 H ATOM 231 N LEU A 24 71.817 5.946 13.768 1.00 35.09 N ATOM 232 CA LEU A 24 73.172 6.366 13.305 1.00 37.17 C ATOM 233 C LEU A 24 73.085 7.007 11.928 1.00 36.87 C ATOM 234 O LEU A 24 72.697 6.389 10.902 1.00 35.64 O ATOM 235 CB LEU A 24 74.086 5.139 13.287 1.00 39.74 C ATOM 236 CG LEU A 24 74.455 4.492 14.606 1.00 40.54 C ATOM 237 CD1 LEU A 24 75.387 3.316 14.345 1.00 43.67 C ATOM 238 CD2 LEU A 24 75.086 5.450 15.581 1.00 42.03 C ATOM 239 H LEU A 24 71.564 4.937 13.768 1.00 0.00 H ATOM 240 N ASP A 25 73.319 8.334 11.891 1.00 33.33 N ATOM 241 CA ASP A 25 73.022 9.105 10.723 1.00 33.37 C ATOM 242 C ASP A 25 74.290 9.801 10.167 1.00 31.78 C ATOM 243 O ASP A 25 74.692 10.886 10.647 1.00 29.91 O ATOM 244 CB ASP A 25 71.977 10.178 11.003 1.00 36.01 C ATOM 245 CG ASP A 25 71.503 10.951 9.810 1.00 39.57 C ATOM 246 OD1 ASP A 25 71.992 10.764 8.709 1.00 35.81 O ATOM 247 OD2 ASP A 25 70.582 11.778 9.990 1.00 42.04 O ATOM 248 H ASP A 25 73.722 8.805 12.726 1.00 0.00 H ATOM 249 N THR A 26 74.881 9.195 9.131 1.00 29.24 N ATOM 250 CA THR A 26 76.033 9.823 8.459 1.00 29.90 C ATOM 251 C THR A 26 75.731 11.122 7.746 1.00 31.39 C ATOM 252 O THR A 26 76.718 11.896 7.487 1.00 32.47 O ATOM 253 CB THR A 26 76.739 8.821 7.540 1.00 28.93 C ATOM 254 OG1 THR A 26 75.831 8.430 6.516 1.00 31.25 O ATOM 255 CG2 THR A 26 77.199 7.609 8.295 1.00 32.43 C ATOM 256 HG1 THR A 26 75.555 9.228 5.999 1.00 0.00 H ATOM 257 H THR A 26 74.526 8.276 8.798 1.00 0.00 H ATOM 258 N GLY A 27 74.418 11.430 7.545 1.00 28.95 N ATOM 259 CA GLY A 27 74.057 12.684 6.891 1.00 26.50 C ATOM 260 C GLY A 27 73.742 13.752 7.927 1.00 28.45 C ATOM 261 O GLY A 27 73.302 14.815 7.552 1.00 30.32 O ATOM 262 H GLY A 27 73.675 10.773 7.857 1.00 0.00 H ATOM 263 N ALA A 28 74.097 13.531 9.202 1.00 27.53 N ATOM 264 CA ALA A 28 73.877 14.474 10.285 1.00 28.55 C ATOM 265 C ALA A 28 75.220 14.990 10.754 1.00 29.58 C ATOM 266 O ALA A 28 76.036 14.165 11.217 1.00 29.73 O ATOM 267 CB ALA A 28 73.060 13.895 11.394 1.00 29.66 C ATOM 268 H ALA A 28 74.559 12.627 9.429 1.00 0.00 H ATOM 269 N ASP A 29 75.398 16.314 10.702 1.00 27.80 N ATOM 270 CA ASP A 29 76.636 16.893 11.328 1.00 30.22 C ATOM 271 C ASP A 29 76.633 16.651 12.859 1.00 33.73 C ATOM 272 O ASP A 29 77.666 16.504 13.528 1.00 32.89 O ATOM 273 CB ASP A 29 76.661 18.404 11.091 1.00 31.86 C ATOM 274 CG ASP A 29 76.785 18.793 9.614 1.00 30.04 C ATOM 275 OD1 ASP A 29 77.142 17.950 8.740 1.00 30.39 O ATOM 276 OD2 ASP A 29 76.548 20.009 9.310 1.00 34.29 O ATOM 277 H ASP A 29 74.697 16.928 10.240 1.00 0.00 H ATOM 278 N ASP A 30 75.457 16.795 13.488 1.00 30.52 N ATOM 279 CA ASP A 30 75.251 16.924 14.913 1.00 31.57 C ATOM 280 C ASP A 30 74.345 15.774 15.415 1.00 32.36 C ATOM 281 O ASP A 30 73.677 15.009 14.593 1.00 31.81 O ATOM 282 CB ASP A 30 74.710 18.308 15.288 1.00 34.38 C ATOM 283 CG ASP A 30 75.559 19.407 14.698 1.00 41.76 C ATOM 284 OD1 ASP A 30 76.751 19.352 14.927 1.00 42.70 O ATOM 285 OD2 ASP A 30 75.018 20.300 14.087 1.00 42.66 O ATOM 286 H ASP A 30 74.607 16.816 12.889 1.00 0.00 H ATOM 287 N THR A 31 74.241 15.705 16.729 1.00 31.37 N ATOM 288 CA THR A 31 73.402 14.712 17.444 1.00 30.99 C ATOM 289 C THR A 31 72.154 15.386 18.003 1.00 33.23 C ATOM 290 O THR A 31 72.341 16.431 18.649 1.00 32.70 O ATOM 291 CB THR A 31 74.269 13.997 18.493 1.00 31.77 C ATOM 292 OG1 THR A 31 75.240 13.198 17.813 1.00 32.72 O ATOM 293 CG2 THR A 31 73.463 13.146 19.430 1.00 31.81 C ATOM 294 HG1 THR A 31 75.806 13.780 17.246 1.00 0.00 H ATOM 295 H THR A 31 74.780 16.389 17.298 1.00 0.00 H ATOM 296 N VAL A 32 70.930 14.855 17.691 1.00 30.17 N ATOM 297 CA VAL A 32 69.740 15.482 18.097 1.00 31.45 C ATOM 298 C VAL A 32 68.865 14.473 18.776 1.00 28.49 C ATOM 299 O VAL A 32 68.547 13.473 18.133 1.00 30.10 O ATOM 300 CB VAL A 32 68.959 16.085 16.899 1.00 32.27 C ATOM 301 CG1 VAL A 32 67.874 17.002 17.481 1.00 32.71 C ATOM 302 CG2 VAL A 32 69.917 16.840 16.024 1.00 32.75 C ATOM 303 H VAL A 32 70.881 13.972 17.144 1.00 0.00 H ATOM 304 N LEU A 33 68.435 14.732 20.017 1.00 28.92 N ATOM 305 CA LEU A 33 67.494 13.873 20.723 1.00 30.18 C ATOM 306 C LEU A 33 66.265 14.700 21.106 1.00 31.03 C ATOM 307 O LEU A 33 66.366 15.875 21.443 1.00 30.02 O ATOM 308 CB LEU A 33 68.190 13.338 21.991 1.00 32.38 C ATOM 309 CG LEU A 33 69.592 12.746 21.747 1.00 32.50 C ATOM 310 CD1 LEU A 33 70.223 12.318 23.072 1.00 38.53 C ATOM 311 CD2 LEU A 33 69.522 11.564 20.813 1.00 34.07 C ATOM 312 H LEU A 33 68.788 15.584 20.498 1.00 0.00 H ATOM 313 N GLU A 34 65.113 14.029 21.144 1.00 32.41 N ATOM 314 CA GLU A 34 63.906 14.708 21.528 1.00 33.59 C ATOM 315 C GLU A 34 63.310 14.186 22.837 1.00 36.59 C ATOM 316 O GLU A 34 62.462 14.880 23.432 1.00 38.14 O ATOM 317 CB GLU A 34 62.855 14.656 20.420 1.00 33.83 C ATOM 318 CG GLU A 34 62.645 13.307 19.757 1.00 37.06 C ATOM 319 CD GLU A 34 61.896 12.223 20.507 1.00 41.75 C ATOM 320 OE1 GLU A 34 62.185 11.035 20.247 1.00 47.25 O ATOM 321 OE2 GLU A 34 60.977 12.567 21.299 1.00 51.09 O ATOM 322 H GLU A 34 65.088 13.019 20.897 1.00 0.00 H ATOM 323 N ASP A 35 63.688 13.019 23.319 1.00 30.74 N ATOM 324 CA ASP A 35 62.900 12.380 24.425 1.00 33.58 C ATOM 325 C ASP A 35 63.744 12.268 25.707 1.00 36.47 C ATOM 326 O ASP A 35 63.765 11.276 26.371 1.00 36.76 O ATOM 327 CB ASP A 35 62.324 11.029 23.991 1.00 35.72 C ATOM 328 CG ASP A 35 63.353 10.048 23.536 1.00 33.07 C ATOM 329 OD1 ASP A 35 64.550 10.392 23.538 1.00 34.60 O ATOM 330 OD2 ASP A 35 62.990 8.839 23.330 1.00 35.04 O ATOM 331 H ASP A 35 64.529 12.543 22.935 1.00 0.00 H ATOM 332 N ILE A 36 64.498 13.321 25.998 1.00 36.09 N ATOM 333 CA ILE A 36 65.255 13.429 27.237 1.00 37.86 C ATOM 334 C ILE A 36 65.357 14.915 27.585 1.00 38.73 C ATOM 335 O ILE A 36 65.487 15.747 26.690 1.00 39.48 O ATOM 336 CB ILE A 36 66.622 12.731 27.091 1.00 41.19 C ATOM 337 CG1 ILE A 36 67.297 12.488 28.436 1.00 47.68 C ATOM 338 CG2 ILE A 36 67.529 13.523 26.165 1.00 38.84 C ATOM 339 CD1 ILE A 36 67.952 11.153 28.492 1.00 54.39 C ATOM 340 H ILE A 36 64.550 14.101 25.312 1.00 0.00 H ATOM 341 N ASP A 37 65.448 15.222 28.890 1.00 37.41 N ATOM 342 CA ASP A 37 65.720 16.572 29.371 1.00 38.45 C ATOM 343 C ASP A 37 67.186 16.579 29.902 1.00 40.41 C ATOM 344 O ASP A 37 67.597 15.631 30.512 1.00 41.42 O ATOM 345 CB ASP A 37 64.812 16.947 30.546 1.00 41.04 C ATOM 346 CG ASP A 37 63.337 17.117 30.187 1.00 43.89 C ATOM 347 OD1 ASP A 37 63.028 17.231 29.000 1.00 42.67 O ATOM 348 OD2 ASP A 37 62.544 17.206 31.112 1.00 50.38 O ATOM 349 H ASP A 37 65.319 14.463 29.589 1.00 0.00 H ATOM 350 N LEU A 38 67.976 17.558 29.526 1.00 38.13 N ATOM 351 CA LEU A 38 69.360 17.628 30.050 1.00 40.03 C ATOM 352 C LEU A 38 69.429 18.784 31.053 1.00 42.01 C ATOM 353 O LEU A 38 68.706 19.766 30.959 1.00 40.37 O ATOM 354 CB LEU A 38 70.374 17.822 28.938 1.00 38.61 C ATOM 355 CG LEU A 38 70.532 16.634 27.984 1.00 41.37 C ATOM 356 CD1 LEU A 38 71.527 16.951 26.877 1.00 37.85 C ATOM 357 CD2 LEU A 38 70.861 15.372 28.734 1.00 42.92 C ATOM 358 H LEU A 38 67.632 18.281 28.863 1.00 0.00 H ATOM 359 N PRO A 39 70.324 18.676 32.054 1.00 50.65 N ATOM 360 CA PRO A 39 70.488 19.736 33.061 1.00 48.22 C ATOM 361 C PRO A 39 71.461 20.881 32.718 1.00 53.57 C ATOM 362 O PRO A 39 72.327 20.752 31.852 1.00 46.76 O ATOM 363 CB PRO A 39 71.010 18.909 34.239 1.00 49.67 C ATOM 364 CG PRO A 39 71.869 17.859 33.608 1.00 49.16 C ATOM 365 CD PRO A 39 71.116 17.468 32.338 1.00 45.98 C ATOM 366 N GLY A 40 71.278 22.052 33.359 1.00 53.33 N ATOM 367 CA GLY A 40 72.292 23.119 33.239 1.00 53.11 C ATOM 368 C GLY A 40 72.026 24.072 32.085 1.00 52.04 C ATOM 369 O GLY A 40 70.931 24.030 31.464 1.00 53.29 O ATOM 370 H GLY A 40 70.426 22.204 33.936 1.00 0.00 H ATOM 371 N ARG A 41 73.033 24.911 31.787 1.00 51.08 N ATOM 372 CA ARG A 41 72.941 26.001 30.777 1.00 55.34 C ATOM 373 C ARG A 41 73.022 25.444 29.337 1.00 48.75 C ATOM 374 O ARG A 41 73.704 24.501 29.103 1.00 44.23 O ATOM 375 CB ARG A 41 74.099 26.995 30.932 1.00 62.19 C ATOM 376 CG ARG A 41 73.773 28.115 31.915 1.00 68.72 C ATOM 377 CD ARG A 41 74.207 29.500 31.447 1.00 72.90 C ATOM 378 NE ARG A 41 73.484 30.552 32.144 1.00 76.33 N ATOM 379 CZ ARG A 41 73.654 31.854 31.943 1.00 81.79 C ATOM 380 NH1 ARG A 41 74.343 32.279 30.897 1.00 82.83 N ATOM 381 NH2 ARG A 41 73.156 32.729 32.804 1.00 79.12 N ATOM 382 HE ARG A 41 72.781 30.263 32.853 1.00 0.00 H ATOM 383 HH12 ARG A 41 74.475 33.299 30.741 1.00 0.00 H ATOM 384 HH11 ARG A 41 74.752 31.594 30.231 1.00 0.00 H ATOM 385 HH22 ARG A 41 73.290 33.748 32.646 1.00 0.00 H ATOM 386 HH21 ARG A 41 72.631 32.397 33.638 1.00 0.00 H ATOM 387 H ARG A 41 73.933 24.791 32.294 1.00 0.00 H ATOM 388 N TRP A 42 72.457 26.186 28.391 1.00 52.33 N ATOM 389 CA TRP A 42 72.543 25.841 26.966 1.00 52.75 C ATOM 390 C TRP A 42 72.580 27.112 26.127 1.00 55.52 C ATOM 391 O TRP A 42 72.433 28.205 26.645 1.00 54.69 O ATOM 392 CB TRP A 42 71.344 24.974 26.618 1.00 48.69 C ATOM 393 CG TRP A 42 70.051 25.547 27.049 1.00 49.23 C ATOM 394 CD1 TRP A 42 69.436 25.343 28.244 1.00 52.37 C ATOM 395 CD2 TRP A 42 69.194 26.387 26.270 1.00 51.17 C ATOM 396 NE1 TRP A 42 68.237 25.981 28.253 1.00 55.70 N ATOM 397 CE2 TRP A 42 68.077 26.672 27.076 1.00 53.72 C ATOM 398 CE3 TRP A 42 69.283 26.964 25.003 1.00 51.57 C ATOM 399 CZ2 TRP A 42 67.034 27.487 26.638 1.00 57.42 C ATOM 400 CZ3 TRP A 42 68.242 27.757 24.557 1.00 58.78 C ATOM 401 CH2 TRP A 42 67.134 28.018 25.370 1.00 58.48 C ATOM 402 HE1 TRP A 42 67.547 25.951 29.030 1.00 0.00 H ATOM 403 H TRP A 42 71.935 27.042 28.669 1.00 0.00 H ATOM 404 N LYS A 43 72.755 26.949 24.820 1.00 46.62 N ATOM 405 CA LYS A 43 72.724 28.031 23.865 1.00 47.82 C ATOM 406 C LYS A 43 71.711 27.681 22.776 1.00 53.17 C ATOM 407 O LYS A 43 71.633 26.536 22.354 1.00 48.55 O ATOM 408 CB LYS A 43 74.102 28.214 23.231 1.00 53.56 C ATOM 409 CG LYS A 43 75.173 28.743 24.169 1.00 60.30 C ATOM 410 CD LYS A 43 76.568 28.502 23.664 1.00 65.97 C ATOM 411 CE LYS A 43 77.604 29.188 24.533 1.00 72.03 C ATOM 412 NZ LYS A 43 78.928 29.184 23.870 1.00 77.52 N ATOM 413 HZ1 LYS A 43 79.227 28.202 23.701 1.00 0.00 H ATOM 414 HZ2 LYS A 43 78.862 29.688 22.963 1.00 0.00 H ATOM 415 HZ3 LYS A 43 79.622 29.658 24.482 1.00 0.00 H ATOM 416 H LYS A 43 72.924 25.986 24.465 1.00 0.00 H ATOM 417 N PRO A 44 70.863 28.634 22.357 1.00 53.59 N ATOM 418 CA PRO A 44 70.126 28.513 21.101 1.00 50.48 C ATOM 419 C PRO A 44 70.980 28.008 19.921 1.00 51.22 C ATOM 420 O PRO A 44 72.184 28.339 19.787 1.00 50.53 O ATOM 421 CB PRO A 44 69.646 29.968 20.894 1.00 58.37 C ATOM 422 CG PRO A 44 69.479 30.526 22.287 1.00 59.63 C ATOM 423 CD PRO A 44 70.591 29.888 23.092 1.00 58.01 C ATOM 424 N LYS A 45 70.396 27.150 19.055 1.00 43.14 N ATOM 425 CA LYS A 45 71.074 26.725 17.838 1.00 45.31 C ATOM 426 C LYS A 45 70.011 26.386 16.792 1.00 41.64 C ATOM 427 O LYS A 45 68.971 25.897 17.135 1.00 43.94 O ATOM 428 CB LYS A 45 71.930 25.463 17.967 1.00 48.89 C ATOM 429 CG LYS A 45 72.642 25.172 16.653 1.00 52.69 C ATOM 430 CD LYS A 45 73.543 24.015 16.531 1.00 54.16 C ATOM 431 CE LYS A 45 74.583 24.295 15.461 1.00 56.12 C ATOM 432 NZ LYS A 45 75.430 23.112 15.228 1.00 64.70 N ATOM 433 HZ1 LYS A 45 75.918 22.857 16.110 1.00 0.00 H ATOM 434 HZ2 LYS A 45 74.836 22.317 14.917 1.00 0.00 H ATOM 435 HZ3 LYS A 45 76.132 23.329 14.493 1.00 0.00 H ATOM 436 H LYS A 45 69.444 26.786 19.262 1.00 0.00 H ATOM 437 N LEU A 46 70.268 26.773 15.562 1.00 42.11 N ATOM 438 CA LEU A 46 69.423 26.442 14.496 1.00 46.36 C ATOM 439 C LEU A 46 70.022 25.214 13.796 1.00 42.82 C ATOM 440 O LEU A 46 71.142 25.211 13.427 1.00 42.09 O ATOM 441 CB LEU A 46 69.395 27.636 13.567 1.00 53.17 C ATOM 442 CG LEU A 46 68.369 27.571 12.439 1.00 53.94 C ATOM 443 CD1 LEU A 46 67.150 28.385 12.820 1.00 62.73 C ATOM 444 CD2 LEU A 46 69.016 28.072 11.145 1.00 55.50 C ATOM 445 H LEU A 46 71.120 27.339 15.376 1.00 0.00 H ATOM 446 N ILE A 47 69.169 24.228 13.474 1.00 37.50 N ATOM 447 CA ILE A 47 69.602 23.161 12.607 1.00 33.06 C ATOM 448 C ILE A 47 68.682 23.131 11.375 1.00 34.12 C ATOM 449 O ILE A 47 67.497 23.669 11.400 1.00 32.31 O ATOM 450 CB ILE A 47 69.546 21.802 13.327 1.00 31.32 C ATOM 451 CG1 ILE A 47 68.162 21.507 13.858 1.00 31.58 C ATOM 452 CG2 ILE A 47 70.580 21.766 14.416 1.00 36.01 C ATOM 453 CD1 ILE A 47 67.940 20.124 14.432 1.00 31.58 C ATOM 454 H ILE A 47 68.199 24.234 13.849 1.00 0.00 H ATOM 455 N VAL A 48 69.217 22.547 10.317 1.00 35.15 N ATOM 456 CA VAL A 48 68.498 22.519 9.038 1.00 36.81 C ATOM 457 C VAL A 48 68.453 21.078 8.516 1.00 41.76 C ATOM 458 O VAL A 48 69.420 20.346 8.571 1.00 35.30 O ATOM 459 CB VAL A 48 69.162 23.515 8.068 1.00 39.78 C ATOM 460 CG1 VAL A 48 69.432 24.843 8.710 1.00 44.47 C ATOM 461 CG2 VAL A 48 70.459 23.077 7.490 1.00 44.63 C ATOM 462 H VAL A 48 70.155 22.104 10.391 1.00 0.00 H ATOM 463 N GLY A 49 67.309 20.716 7.955 1.00 39.12 N ATOM 464 CA GLY A 49 67.140 19.394 7.288 1.00 41.64 C ATOM 465 C GLY A 49 66.206 19.515 6.106 1.00 34.42 C ATOM 466 O GLY A 49 65.967 20.609 5.554 1.00 34.22 O ATOM 467 H GLY A 49 66.504 21.374 7.981 1.00 0.00 H ATOM 468 N ILE A 50 65.837 18.370 5.531 1.00 32.55 N ATOM 469 CA ILE A 50 64.819 18.323 4.557 1.00 30.75 C ATOM 470 C ILE A 50 63.578 18.883 5.216 1.00 30.82 C ATOM 471 O ILE A 50 63.271 18.546 6.369 1.00 32.31 O ATOM 472 CB ILE A 50 64.588 16.876 4.071 1.00 35.84 C ATOM 473 CG1 ILE A 50 65.751 16.462 3.167 1.00 41.48 C ATOM 474 CG2 ILE A 50 63.237 16.724 3.393 1.00 40.57 C ATOM 475 CD1 ILE A 50 65.426 15.588 2.019 1.00 48.53 C ATOM 476 H ILE A 50 66.313 17.488 5.809 1.00 0.00 H ATOM 477 N GLY A 51 62.934 19.835 4.547 1.00 30.48 N ATOM 478 CA GLY A 51 61.708 20.350 5.133 1.00 32.34 C ATOM 479 C GLY A 51 61.904 21.712 5.746 1.00 31.75 C ATOM 480 O GLY A 51 60.974 22.464 5.791 1.00 29.01 O ATOM 481 H GLY A 51 63.293 20.197 3.641 1.00 0.00 H ATOM 482 N GLY A 52 63.106 21.997 6.276 1.00 35.15 N ATOM 483 CA GLY A 52 63.421 23.407 6.738 1.00 36.82 C ATOM 484 C GLY A 52 64.185 23.398 8.054 1.00 34.90 C ATOM 485 O GLY A 52 64.778 22.401 8.480 1.00 46.37 O ATOM 486 H GLY A 52 63.822 21.249 6.370 1.00 0.00 H ATOM 487 N PHE A 53 64.094 24.454 8.816 1.00 30.10 N ATOM 488 CA PHE A 53 64.907 24.576 9.925 1.00 33.67 C ATOM 489 C PHE A 53 64.090 24.392 11.204 1.00 34.31 C ATOM 490 O PHE A 53 62.886 24.585 11.192 1.00 37.05 O ATOM 491 CB PHE A 53 65.598 25.942 9.892 1.00 32.01 C ATOM 492 CG PHE A 53 64.741 27.182 9.851 1.00 36.47 C ATOM 493 CD1 PHE A 53 64.075 27.631 10.988 1.00 34.97 C ATOM 494 CD2 PHE A 53 64.684 27.986 8.710 1.00 37.31 C ATOM 495 CE1 PHE A 53 63.398 28.826 11.014 1.00 41.78 C ATOM 496 CE2 PHE A 53 63.970 29.161 8.733 1.00 44.24 C ATOM 497 CZ PHE A 53 63.317 29.571 9.878 1.00 46.58 C ATOM 498 H PHE A 53 63.409 25.203 8.588 1.00 0.00 H ATOM 499 N VAL A 54 64.801 24.184 12.321 1.00 33.68 N ATOM 500 CA VAL A 54 64.224 24.012 13.602 1.00 37.80 C ATOM 501 C VAL A 54 65.148 24.608 14.647 1.00 36.73 C ATOM 502 O VAL A 54 66.357 24.457 14.521 1.00 34.98 O ATOM 503 CB VAL A 54 64.078 22.496 13.905 1.00 43.23 C ATOM 504 CG1 VAL A 54 63.776 22.296 15.382 1.00 47.64 C ATOM 505 CG2 VAL A 54 62.955 21.923 13.069 1.00 49.35 C ATOM 506 H VAL A 54 65.837 24.147 12.242 1.00 0.00 H ATOM 507 N LYS A 55 64.553 25.222 15.690 1.00 39.22 N ATOM 508 CA LYS A 55 65.298 25.764 16.813 1.00 39.87 C ATOM 509 C LYS A 55 65.464 24.713 17.901 1.00 37.15 C ATOM 510 O LYS A 55 64.503 23.980 18.266 1.00 42.03 O ATOM 511 CB LYS A 55 64.581 26.986 17.417 1.00 49.04 C ATOM 512 CG LYS A 55 64.719 28.232 16.571 1.00 52.81 C ATOM 513 CD LYS A 55 63.967 29.447 17.145 1.00 63.73 C ATOM 514 CE LYS A 55 64.510 30.778 16.652 1.00 72.40 C ATOM 515 NZ LYS A 55 64.109 31.903 17.543 1.00 78.61 N ATOM 516 HZ1 LYS A 55 63.071 31.965 17.576 1.00 0.00 H ATOM 517 HZ2 LYS A 55 64.478 31.734 18.501 1.00 0.00 H ATOM 518 HZ3 LYS A 55 64.499 32.793 17.172 1.00 0.00 H ATOM 519 H LYS A 55 63.517 25.311 15.690 1.00 0.00 H ATOM 520 N VAL A 56 66.708 24.520 18.337 1.00 35.11 N ATOM 521 CA VAL A 56 66.984 23.531 19.360 1.00 37.63 C ATOM 522 C VAL A 56 67.833 24.134 20.491 1.00 40.29 C ATOM 523 O VAL A 56 68.355 25.254 20.354 1.00 40.96 O ATOM 524 CB VAL A 56 67.662 22.294 18.752 1.00 35.99 C ATOM 525 CG1 VAL A 56 66.766 21.634 17.690 1.00 37.80 C ATOM 526 CG2 VAL A 56 69.027 22.604 18.178 1.00 37.61 C ATOM 527 H VAL A 56 67.487 25.083 17.940 1.00 0.00 H ATOM 528 N ARG A 57 67.959 23.384 21.571 1.00 38.30 N ATOM 529 CA ARG A 57 68.906 23.719 22.656 1.00 42.76 C ATOM 530 C ARG A 57 70.217 23.016 22.397 1.00 40.69 C ATOM 531 O ARG A 57 70.251 21.779 22.133 1.00 41.27 O ATOM 532 CB ARG A 57 68.393 23.283 24.032 1.00 44.31 C ATOM 533 CG ARG A 57 67.021 23.836 24.349 1.00 48.68 C ATOM 534 CD ARG A 57 66.740 23.552 25.781 1.00 49.57 C ATOM 535 NE ARG A 57 65.701 24.425 26.274 1.00 56.13 N ATOM 536 CZ ARG A 57 65.366 24.472 27.548 1.00 55.25 C ATOM 537 NH1 ARG A 57 65.841 23.553 28.368 1.00 50.12 N ATOM 538 NH2 ARG A 57 64.504 25.391 27.943 1.00 55.77 N ATOM 539 HE ARG A 57 65.199 25.038 25.600 1.00 0.00 H ATOM 540 HH12 ARG A 57 65.587 23.575 29.376 1.00 0.00 H ATOM 541 HH11 ARG A 57 66.469 22.807 28.006 1.00 0.00 H ATOM 542 HH22 ARG A 57 64.225 25.447 28.943 1.00 0.00 H ATOM 543 HH21 ARG A 57 64.104 26.059 27.254 1.00 0.00 H ATOM 544 H ARG A 57 67.373 22.530 21.661 1.00 0.00 H ATOM 545 N GLN A 58 71.316 23.782 22.460 1.00 40.34 N ATOM 546 CA GLN A 58 72.641 23.212 22.377 1.00 36.24 C ATOM 547 C GLN A 58 73.224 23.052 23.783 1.00 44.90 C ATOM 548 O GLN A 58 73.382 24.071 24.501 1.00 42.08 O ATOM 549 CB GLN A 58 73.583 24.093 21.567 1.00 40.37 C ATOM 550 CG GLN A 58 74.964 23.500 21.430 1.00 39.22 C ATOM 551 CD GLN A 58 75.889 24.253 20.490 1.00 46.70 C ATOM 552 OE1 GLN A 58 75.596 24.497 19.322 1.00 52.72 O ATOM 553 NE2 GLN A 58 77.027 24.696 21.002 1.00 52.89 N ATOM 554 HE22 GLN A 58 77.269 24.486 21.991 1.00 0.00 H ATOM 555 HE21 GLN A 58 77.679 25.254 20.415 1.00 0.00 H ATOM 556 H GLN A 58 71.212 24.811 22.571 1.00 0.00 H ATOM 557 N TYR A 59 73.482 21.799 24.164 1.00 39.02 N ATOM 558 CA TYR A 59 74.073 21.437 25.424 1.00 42.25 C ATOM 559 C TYR A 59 75.484 20.962 25.132 1.00 47.05 C ATOM 560 O TYR A 59 75.754 20.142 24.260 1.00 42.35 O ATOM 561 CB TYR A 59 73.311 20.361 26.188 1.00 37.87 C ATOM 562 CG TYR A 59 71.994 20.785 26.777 1.00 42.35 C ATOM 563 CD1 TYR A 59 70.818 20.718 26.046 1.00 35.72 C ATOM 564 CD2 TYR A 59 71.914 21.279 28.075 1.00 43.12 C ATOM 565 CE1 TYR A 59 69.604 21.115 26.563 1.00 39.01 C ATOM 566 CE2 TYR A 59 70.707 21.688 28.597 1.00 44.88 C ATOM 567 CZ TYR A 59 69.547 21.610 27.867 1.00 41.41 C ATOM 568 OH TYR A 59 68.358 22.046 28.408 1.00 46.50 O ATOM 569 HH TYR A 59 68.159 21.527 29.227 1.00 0.00 H ATOM 570 H TYR A 59 73.239 21.032 23.505 1.00 0.00 H ATOM 571 N GLU A 60 76.432 21.499 25.901 1.00 48.76 N ATOM 572 CA GLU A 60 77.778 21.164 25.606 1.00 45.92 C ATOM 573 C GLU A 60 78.326 20.267 26.701 1.00 48.59 C ATOM 574 O GLU A 60 77.773 20.199 27.823 1.00 44.85 O ATOM 575 CB GLU A 60 78.654 22.410 25.483 1.00 55.44 C ATOM 576 CG GLU A 60 78.530 23.062 24.116 1.00 56.99 C ATOM 577 CD GLU A 60 78.933 24.502 24.169 1.00 60.55 C ATOM 578 OE1 GLU A 60 79.746 24.779 25.027 1.00 63.31 O ATOM 579 OE2 GLU A 60 78.359 25.330 23.429 1.00 62.09 O ATOM 580 H GLU A 60 76.194 22.138 26.686 1.00 0.00 H ATOM 581 N GLN A 61 79.422 19.604 26.325 1.00 46.63 N ATOM 582 CA GLN A 61 80.116 18.689 27.190 1.00 52.20 C ATOM 583 C GLN A 61 79.063 17.821 27.918 1.00 47.09 C ATOM 584 O GLN A 61 78.902 17.761 29.169 1.00 49.11 O ATOM 585 CB GLN A 61 81.094 19.487 28.066 1.00 53.90 C ATOM 586 CG GLN A 61 82.287 20.091 27.300 1.00 56.62 C ATOM 587 CD GLN A 61 83.470 19.159 27.106 1.00 58.52 C ATOM 588 OE1 GLN A 61 83.536 18.412 26.134 1.00 61.57 O ATOM 589 NE2 GLN A 61 84.456 19.221 27.994 1.00 58.54 N ATOM 590 HE22 GLN A 61 84.381 19.860 28.811 1.00 0.00 H ATOM 591 HE21 GLN A 61 85.303 18.630 27.872 1.00 0.00 H ATOM 592 H GLN A 61 79.790 19.756 25.364 1.00 0.00 H ATOM 593 N VAL A 62 78.266 17.118 27.101 1.00 45.05 N ATOM 594 CA VAL A 62 77.361 16.091 27.609 1.00 39.80 C ATOM 595 C VAL A 62 78.005 14.699 27.551 1.00 35.76 C ATOM 596 O VAL A 62 78.495 14.284 26.529 1.00 37.17 O ATOM 597 CB VAL A 62 76.067 16.105 26.756 1.00 38.06 C ATOM 598 CG1 VAL A 62 75.071 15.106 27.316 1.00 40.71 C ATOM 599 CG2 VAL A 62 75.576 17.536 26.683 1.00 38.12 C ATOM 600 H VAL A 62 78.293 17.309 26.079 1.00 0.00 H ATOM 601 N PRO A 63 78.002 13.901 28.644 1.00 40.73 N ATOM 602 CA PRO A 63 78.472 12.534 28.591 1.00 39.61 C ATOM 603 C PRO A 63 77.438 11.566 28.057 1.00 43.17 C ATOM 604 O PRO A 63 76.223 11.681 28.431 1.00 41.91 O ATOM 605 CB PRO A 63 78.773 12.202 30.078 1.00 42.28 C ATOM 606 CG PRO A 63 77.799 12.999 30.831 1.00 46.06 C ATOM 607 CD PRO A 63 77.596 14.275 30.013 1.00 46.74 C ATOM 608 N ILE A 64 77.890 10.658 27.222 1.00 38.61 N ATOM 609 CA ILE A 64 76.910 9.786 26.555 1.00 42.56 C ATOM 610 C ILE A 64 77.611 8.486 26.268 1.00 42.93 C ATOM 611 O ILE A 64 78.840 8.474 26.104 1.00 46.51 O ATOM 612 CB ILE A 64 76.277 10.432 25.292 1.00 44.96 C ATOM 613 CG1 ILE A 64 75.374 9.454 24.550 1.00 46.54 C ATOM 614 CG2 ILE A 64 77.329 10.934 24.313 1.00 47.93 C ATOM 615 CD1 ILE A 64 74.522 10.156 23.460 1.00 47.03 C ATOM 616 H ILE A 64 78.909 10.559 27.038 1.00 0.00 H ATOM 617 N GLU A 65 76.898 7.361 26.394 1.00 41.32 N ATOM 618 CA GLU A 65 77.453 6.024 26.112 1.00 45.18 C ATOM 619 C GLU A 65 76.708 5.346 24.953 1.00 43.38 C ATOM 620 O GLU A 65 75.514 5.397 24.967 1.00 42.29 O ATOM 621 CB GLU A 65 77.361 5.205 27.388 1.00 53.62 C ATOM 622 CG GLU A 65 77.751 3.756 27.254 1.00 62.07 C ATOM 623 CD GLU A 65 77.985 3.108 28.614 1.00 67.71 C ATOM 624 OE1 GLU A 65 77.563 3.709 29.659 1.00 61.03 O ATOM 625 OE2 GLU A 65 78.615 2.032 28.632 1.00 66.63 O ATOM 626 H GLU A 65 75.908 7.432 26.705 1.00 0.00 H ATOM 627 N ILE A 66 77.409 4.791 23.914 1.00 42.28 N ATOM 628 CA ILE A 66 76.700 4.257 22.691 1.00 45.96 C ATOM 629 C ILE A 66 76.840 2.757 22.395 1.00 59.35 C ATOM 630 O ILE A 66 75.889 2.078 21.918 1.00 65.27 O ATOM 631 CB ILE A 66 77.048 5.075 21.458 1.00 46.56 C ATOM 632 CG1 ILE A 66 76.566 6.495 21.625 1.00 43.45 C ATOM 633 CG2 ILE A 66 76.500 4.426 20.191 1.00 47.99 C ATOM 634 CD1 ILE A 66 76.751 7.360 20.442 1.00 43.54 C ATOM 635 H ILE A 66 78.446 4.737 23.968 1.00 0.00 H ATOM 636 N ALA A 67 78.030 2.231 22.545 1.00 62.60 N ATOM 637 CA ALA A 67 78.123 0.783 22.669 1.00 63.19 C ATOM 638 C ALA A 67 79.406 0.515 23.441 1.00 56.98 C ATOM 639 O ALA A 67 80.427 0.092 22.886 1.00 63.99 O ATOM 640 CB ALA A 67 78.106 0.119 21.318 1.00 63.28 C ATOM 641 H ALA A 67 78.881 2.828 22.575 1.00 0.00 H ATOM 642 N GLY A 68 79.347 0.892 24.720 1.00 52.40 N ATOM 643 CA GLY A 68 80.463 0.767 25.603 1.00 50.12 C ATOM 644 C GLY A 68 81.524 1.813 25.331 1.00 53.23 C ATOM 645 O GLY A 68 82.689 1.668 25.841 1.00 56.76 O ATOM 646 H GLY A 68 78.459 1.290 25.086 1.00 0.00 H ATOM 647 N HIS A 69 81.170 2.828 24.514 1.00 45.58 N ATOM 648 CA HIS A 69 82.043 3.971 24.304 1.00 50.01 C ATOM 649 C HIS A 69 81.483 5.141 25.095 1.00 50.60 C ATOM 650 O HIS A 69 80.385 5.686 24.750 1.00 49.31 O ATOM 651 CB HIS A 69 82.142 4.328 22.808 1.00 57.34 C ATOM 652 CG HIS A 69 82.664 3.228 21.946 1.00 60.14 C ATOM 653 ND1 HIS A 69 81.875 2.121 21.591 1.00 62.43 N ATOM 654 CD2 HIS A 69 83.879 3.072 21.351 1.00 62.02 C ATOM 655 CE1 HIS A 69 82.616 1.308 20.850 1.00 62.55 C ATOM 656 NE2 HIS A 69 83.840 1.876 20.685 1.00 59.88 N ATOM 657 H HIS A 69 80.253 2.791 24.025 1.00 0.00 H ATOM 658 N LYS A 70 82.258 5.564 26.081 1.00 43.25 N ATOM 659 CA LYS A 70 81.908 6.666 26.942 1.00 50.20 C ATOM 660 C LYS A 70 82.460 7.974 26.356 1.00 54.38 C ATOM 661 O LYS A 70 83.650 8.246 26.616 1.00 55.16 O ATOM 662 CB LYS A 70 82.470 6.335 28.319 1.00 53.53 C ATOM 663 CG LYS A 70 81.828 5.102 28.974 1.00 50.47 C ATOM 664 CD LYS A 70 82.424 4.814 30.336 1.00 58.49 C ATOM 665 CE LYS A 70 81.517 3.931 31.180 1.00 64.40 C ATOM 666 NZ LYS A 70 81.838 4.033 32.621 1.00 63.64 N ATOM 667 HZ1 LYS A 70 82.822 3.736 32.778 1.00 0.00 H ATOM 668 HZ2 LYS A 70 81.718 5.018 32.933 1.00 0.00 H ATOM 669 HZ3 LYS A 70 81.198 3.417 33.162 1.00 0.00 H ATOM 670 H LYS A 70 83.163 5.078 26.242 1.00 0.00 H ATOM 671 N VAL A 71 81.640 8.721 25.573 1.00 51.01 N ATOM 672 CA VAL A 71 82.161 9.968 24.926 1.00 46.75 C ATOM 673 C VAL A 71 81.422 11.177 25.489 1.00 47.80 C ATOM 674 O VAL A 71 80.420 11.057 26.202 1.00 42.46 O ATOM 675 CB VAL A 71 82.147 9.902 23.399 1.00 50.20 C ATOM 676 CG1 VAL A 71 83.068 8.789 22.926 1.00 55.24 C ATOM 677 CG2 VAL A 71 80.756 9.715 22.822 1.00 51.05 C ATOM 678 H VAL A 71 80.653 8.429 25.423 1.00 0.00 H ATOM 679 N VAL A 72 82.070 12.321 25.353 1.00 48.62 N ATOM 680 CA VAL A 72 81.523 13.598 25.687 1.00 48.11 C ATOM 681 C VAL A 72 81.438 14.346 24.353 1.00 46.41 C ATOM 682 O VAL A 72 82.279 14.183 23.446 1.00 45.30 O ATOM 683 CB VAL A 72 82.400 14.302 26.742 1.00 48.31 C ATOM 684 CG1 VAL A 72 82.080 15.786 26.882 1.00 51.29 C ATOM 685 CG2 VAL A 72 82.250 13.618 28.092 1.00 49.33 C ATOM 686 H VAL A 72 83.040 12.290 24.979 1.00 0.00 H ATOM 687 N GLY A 73 80.335 15.066 24.203 1.00 44.62 N ATOM 688 CA GLY A 73 80.009 15.690 22.939 1.00 45.12 C ATOM 689 C GLY A 73 78.873 16.659 23.105 1.00 41.09 C ATOM 690 O GLY A 73 78.256 16.750 24.143 1.00 40.08 O ATOM 691 H GLY A 73 79.691 15.185 25.011 1.00 0.00 H ATOM 692 N THR A 74 78.706 17.483 22.087 1.00 38.89 N ATOM 693 CA THR A 74 77.597 18.367 22.070 1.00 40.66 C ATOM 694 C THR A 74 76.368 17.488 21.782 1.00 34.62 C ATOM 695 O THR A 74 76.476 16.618 20.961 1.00 35.27 O ATOM 696 CB THR A 74 77.893 19.465 21.038 1.00 40.97 C ATOM 697 OG1 THR A 74 79.018 20.183 21.564 1.00 41.00 O ATOM 698 CG2 THR A 74 76.707 20.363 20.784 1.00 42.02 C ATOM 699 HG1 THR A 74 79.784 19.564 21.667 1.00 0.00 H ATOM 700 H THR A 74 79.386 17.484 21.300 1.00 0.00 H ATOM 701 N VAL A 75 75.266 17.738 22.470 1.00 36.04 N ATOM 702 CA VAL A 75 73.945 17.116 22.197 1.00 34.58 C ATOM 703 C VAL A 75 72.976 18.232 22.001 1.00 33.66 C ATOM 704 O VAL A 75 72.782 19.152 22.864 1.00 33.68 O ATOM 705 CB VAL A 75 73.522 16.139 23.311 1.00 34.29 C ATOM 706 CG1 VAL A 75 72.084 15.613 23.090 1.00 34.54 C ATOM 707 CG2 VAL A 75 74.494 14.986 23.406 1.00 37.13 C ATOM 708 H VAL A 75 75.329 18.416 23.256 1.00 0.00 H ATOM 709 N LEU A 76 72.229 18.143 20.871 1.00 30.54 N ATOM 710 CA LEU A 76 71.188 19.090 20.710 1.00 31.61 C ATOM 711 C LEU A 76 69.896 18.438 21.174 1.00 32.25 C ATOM 712 O LEU A 76 69.638 17.219 20.928 1.00 32.65 O ATOM 713 CB LEU A 76 71.104 19.461 19.226 1.00 30.67 C ATOM 714 CG LEU A 76 72.402 19.827 18.562 1.00 30.21 C ATOM 715 CD1 LEU A 76 72.177 20.298 17.156 1.00 30.46 C ATOM 716 CD2 LEU A 76 73.113 20.943 19.362 1.00 33.04 C ATOM 717 H LEU A 76 72.413 17.412 20.155 1.00 0.00 H ATOM 718 N ILE A 77 69.044 19.256 21.792 1.00 31.50 N ATOM 719 CA ILE A 77 67.731 18.756 22.239 1.00 32.87 C ATOM 720 C ILE A 77 66.666 19.601 21.585 1.00 32.12 C ATOM 721 O ILE A 77 66.610 20.843 21.725 1.00 34.61 O ATOM 722 CB ILE A 77 67.642 18.892 23.763 1.00 35.73 C ATOM 723 CG1 ILE A 77 68.743 18.098 24.459 1.00 33.65 C ATOM 724 CG2 ILE A 77 66.271 18.481 24.229 1.00 33.31 C ATOM 725 CD1 ILE A 77 68.608 16.637 24.414 1.00 34.83 C ATOM 726 H ILE A 77 69.306 20.249 21.959 1.00 0.00 H ATOM 727 N GLY A 78 65.776 18.940 20.895 1.00 31.26 N ATOM 728 CA GLY A 78 64.688 19.606 20.265 1.00 33.38 C ATOM 729 C GLY A 78 63.827 18.641 19.470 1.00 28.24 C ATOM 730 O GLY A 78 64.077 17.431 19.377 1.00 31.72 O ATOM 731 H GLY A 78 65.864 17.908 20.804 1.00 0.00 H ATOM 732 N PRO A 79 62.915 19.204 18.671 1.00 31.49 N ATOM 733 CA PRO A 79 62.066 18.364 17.860 1.00 36.69 C ATOM 734 C PRO A 79 62.768 17.648 16.712 1.00 34.64 C ATOM 735 O PRO A 79 63.402 18.251 15.894 1.00 38.05 O ATOM 736 CB PRO A 79 61.018 19.329 17.300 1.00 40.76 C ATOM 737 CG PRO A 79 61.131 20.570 18.071 1.00 36.25 C ATOM 738 CD PRO A 79 62.485 20.620 18.722 1.00 33.79 C ATOM 739 N THR A 80 62.554 16.347 16.586 1.00 33.62 N ATOM 740 CA THR A 80 63.011 15.640 15.541 1.00 34.14 C ATOM 741 C THR A 80 62.151 14.407 15.443 1.00 40.70 C ATOM 742 O THR A 80 61.754 13.896 16.484 1.00 39.91 O ATOM 743 CB THR A 80 64.511 15.307 15.702 1.00 34.04 C ATOM 744 OG1 THR A 80 64.831 14.284 14.718 1.00 32.02 O ATOM 745 CG2 THR A 80 64.824 14.710 17.067 1.00 33.51 C ATOM 746 HG1 THR A 80 64.275 13.482 14.885 1.00 0.00 H ATOM 747 H THR A 80 62.012 15.855 17.324 1.00 0.00 H ATOM 748 N PRO A 81 61.841 13.931 14.225 1.00 38.33 N ATOM 749 CA PRO A 81 61.048 12.708 14.071 1.00 46.76 C ATOM 750 C PRO A 81 61.698 11.405 14.575 1.00 41.73 C ATOM 751 O PRO A 81 60.998 10.442 14.850 1.00 38.98 O ATOM 752 CB PRO A 81 60.689 12.684 12.586 1.00 44.66 C ATOM 753 CG PRO A 81 61.587 13.702 11.888 1.00 47.97 C ATOM 754 CD PRO A 81 62.155 14.603 12.959 1.00 44.09 C ATOM 755 N SER A 82 63.016 11.443 14.780 1.00 36.82 N ATOM 756 CA SER A 82 63.771 10.350 15.257 1.00 36.91 C ATOM 757 C SER A 82 64.947 10.915 16.044 1.00 32.90 C ATOM 758 O SER A 82 65.593 11.774 15.544 1.00 33.25 O ATOM 759 CB SER A 82 64.392 9.573 14.120 1.00 42.59 C ATOM 760 OG SER A 82 65.208 8.519 14.652 1.00 44.74 O ATOM 761 HG SER A 82 65.922 8.909 15.216 1.00 0.00 H ATOM 762 H SER A 82 63.517 12.331 14.576 1.00 0.00 H ATOM 763 N ASN A 83 65.295 10.311 17.182 1.00 30.52 N ATOM 764 CA ASN A 83 66.613 10.596 17.757 1.00 29.26 C ATOM 765 C ASN A 83 67.706 10.252 16.743 1.00 27.98 C ATOM 766 O ASN A 83 67.638 9.187 16.121 1.00 29.64 O ATOM 767 CB ASN A 83 66.774 9.741 19.018 1.00 27.65 C ATOM 768 CG ASN A 83 65.938 10.193 20.198 1.00 32.26 C ATOM 769 OD1 ASN A 83 65.488 11.325 20.239 1.00 30.43 O ATOM 770 ND2 ASN A 83 65.855 9.340 21.221 1.00 31.24 N ATOM 771 HD22 ASN A 83 66.256 8.384 21.135 1.00 0.00 H ATOM 772 HD21 ASN A 83 65.390 9.631 22.104 1.00 0.00 H ATOM 773 H ASN A 83 64.643 9.651 17.652 1.00 0.00 H ATOM 774 N ILE A 84 68.747 11.096 16.636 1.00 30.20 N ATOM 775 CA ILE A 84 69.788 10.754 15.741 1.00 27.68 C ATOM 776 C ILE A 84 71.150 11.057 16.349 1.00 26.74 C ATOM 777 O ILE A 84 71.398 12.024 17.040 1.00 27.16 O ATOM 778 CB ILE A 84 69.650 11.451 14.385 1.00 27.59 C ATOM 779 CG1 ILE A 84 69.401 12.934 14.601 1.00 27.36 C ATOM 780 CG2 ILE A 84 68.607 10.817 13.471 1.00 27.38 C ATOM 781 CD1 ILE A 84 69.530 13.739 13.377 1.00 28.37 C ATOM 782 H ILE A 84 68.786 11.973 17.194 1.00 0.00 H ATOM 783 N ILE A 85 72.070 10.167 15.971 1.00 27.06 N ATOM 784 CA ILE A 85 73.498 10.284 16.360 1.00 28.30 C ATOM 785 C ILE A 85 74.210 10.727 15.105 1.00 30.37 C ATOM 786 O ILE A 85 74.159 10.050 14.100 1.00 33.61 O ATOM 787 CB ILE A 85 74.104 8.949 16.846 1.00 32.23 C ATOM 788 CG1 ILE A 85 73.330 8.315 17.996 1.00 34.59 C ATOM 789 CG2 ILE A 85 75.575 9.103 17.194 1.00 33.29 C ATOM 790 CD1 ILE A 85 73.092 9.198 19.189 1.00 34.13 C ATOM 791 H ILE A 85 71.776 9.362 15.382 1.00 0.00 H ATOM 792 N GLY A 86 74.825 11.896 15.175 1.00 30.51 N ATOM 793 CA GLY A 86 75.491 12.481 14.048 1.00 28.38 C ATOM 794 C GLY A 86 76.986 12.223 14.063 1.00 31.23 C ATOM 795 O GLY A 86 77.511 11.537 14.933 1.00 30.34 O ATOM 796 H GLY A 86 74.825 12.409 16.080 1.00 0.00 H ATOM 797 N ARG A 87 77.647 12.842 13.090 1.00 30.08 N ATOM 798 CA ARG A 87 79.094 12.557 12.851 1.00 32.59 C ATOM 799 C ARG A 87 79.929 13.089 14.024 1.00 35.66 C ATOM 800 O ARG A 87 81.084 12.566 14.233 1.00 37.36 O ATOM 801 CB ARG A 87 79.610 13.175 11.541 1.00 32.32 C ATOM 802 CG ARG A 87 78.970 12.623 10.262 1.00 31.52 C ATOM 803 CD ARG A 87 79.580 13.222 9.012 1.00 33.60 C ATOM 804 NE ARG A 87 79.407 14.683 8.863 1.00 33.91 N ATOM 805 CZ ARG A 87 80.215 15.636 9.278 1.00 34.79 C ATOM 806 NH1 ARG A 87 81.463 15.382 9.708 1.00 31.13 N ATOM 807 NH2 ARG A 87 79.759 16.893 9.194 1.00 34.18 N ATOM 808 HE ARG A 87 78.545 14.995 8.372 1.00 0.00 H ATOM 809 HH12 ARG A 87 82.072 16.162 10.028 1.00 0.00 H ATOM 810 HH11 ARG A 87 81.820 14.405 9.720 1.00 0.00 H ATOM 811 HH22 ARG A 87 80.356 17.685 9.508 1.00 0.00 H ATOM 812 HH21 ARG A 87 78.808 17.077 8.815 1.00 0.00 H ATOM 813 H ARG A 87 77.152 13.532 12.489 1.00 0.00 H ATOM 814 N ASN A 88 79.433 14.066 14.771 1.00 35.22 N ATOM 815 CA ASN A 88 80.169 14.659 15.961 1.00 37.04 C ATOM 816 C ASN A 88 80.448 13.553 16.977 1.00 39.18 C ATOM 817 O ASN A 88 81.510 13.553 17.601 1.00 41.06 O ATOM 818 CB ASN A 88 79.482 15.834 16.611 1.00 39.26 C ATOM 819 CG ASN A 88 78.250 15.450 17.415 1.00 41.03 C ATOM 820 OD1 ASN A 88 77.343 14.759 16.906 1.00 35.34 O ATOM 821 ND2 ASN A 88 78.258 15.829 18.677 1.00 37.25 N ATOM 822 HD22 ASN A 88 79.043 16.405 19.042 1.00 0.00 H ATOM 823 HD21 ASN A 88 77.479 15.552 19.308 1.00 0.00 H ATOM 824 H ASN A 88 78.495 14.445 14.531 1.00 0.00 H ATOM 825 N LEU A 89 79.535 12.608 17.110 1.00 32.07 N ATOM 826 CA LEU A 89 79.690 11.466 18.025 1.00 32.12 C ATOM 827 C LEU A 89 80.193 10.226 17.290 1.00 31.92 C ATOM 828 O LEU A 89 81.072 9.435 17.867 1.00 35.02 O ATOM 829 CB LEU A 89 78.437 11.159 18.846 1.00 33.39 C ATOM 830 CG LEU A 89 78.086 12.218 19.877 1.00 35.93 C ATOM 831 CD1 LEU A 89 76.872 11.773 20.666 1.00 39.77 C ATOM 832 CD2 LEU A 89 79.273 12.546 20.805 1.00 40.25 C ATOM 833 H LEU A 89 78.666 12.674 16.542 1.00 0.00 H ATOM 834 N MET A 90 79.818 10.013 16.035 1.00 31.71 N ATOM 835 CA MET A 90 80.260 8.855 15.304 1.00 31.38 C ATOM 836 C MET A 90 81.788 8.892 15.069 1.00 32.52 C ATOM 837 O MET A 90 82.446 7.876 15.043 1.00 33.14 O ATOM 838 CB MET A 90 79.508 8.719 13.973 1.00 34.83 C ATOM 839 CG MET A 90 78.028 8.430 14.197 1.00 35.53 C ATOM 840 SD MET A 90 77.063 8.226 12.675 1.00 37.53 S ATOM 841 CE MET A 90 77.781 6.710 12.047 1.00 37.00 C ATOM 842 H MET A 90 79.190 10.699 15.569 1.00 0.00 H ATOM 843 N THR A 91 82.376 10.076 14.874 1.00 30.59 N ATOM 844 CA THR A 91 83.820 10.171 14.761 1.00 31.56 C ATOM 845 C THR A 91 84.509 9.646 16.025 1.00 33.79 C ATOM 846 O THR A 91 85.581 8.971 15.999 1.00 33.46 O ATOM 847 CB THR A 91 84.256 11.615 14.535 1.00 38.70 C ATOM 848 OG1 THR A 91 83.826 12.477 15.606 1.00 46.11 O ATOM 849 CG2 THR A 91 83.793 12.084 13.179 1.00 32.91 C ATOM 850 HG1 THR A 91 84.127 13.403 15.424 1.00 0.00 H ATOM 851 H THR A 91 81.795 10.936 14.803 1.00 0.00 H ATOM 852 N GLN A 92 83.882 9.923 17.195 1.00 33.99 N ATOM 853 CA GLN A 92 84.479 9.529 18.480 1.00 32.90 C ATOM 854 C GLN A 92 84.397 8.008 18.712 1.00 35.50 C ATOM 855 O GLN A 92 85.164 7.505 19.434 1.00 35.02 O ATOM 856 CB GLN A 92 83.809 10.258 19.676 1.00 34.80 C ATOM 857 CG GLN A 92 83.996 11.759 19.608 1.00 40.56 C ATOM 858 CD GLN A 92 85.428 12.153 19.929 1.00 52.48 C ATOM 859 OE1 GLN A 92 85.988 11.792 20.973 1.00 58.71 O ATOM 860 NE2 GLN A 92 86.065 12.828 18.981 1.00 52.20 N ATOM 861 HE22 GLN A 92 85.560 13.114 18.118 1.00 0.00 H ATOM 862 HE21 GLN A 92 87.069 13.071 19.101 1.00 0.00 H ATOM 863 H GLN A 92 82.968 10.420 17.184 1.00 0.00 H ATOM 864 N LEU A 93 83.540 7.304 17.973 1.00 32.74 N ATOM 865 CA LEU A 93 83.364 5.849 17.982 1.00 38.29 C ATOM 866 C LEU A 93 84.335 5.198 16.987 1.00 39.83 C ATOM 867 O LEU A 93 84.430 3.992 16.936 1.00 39.23 O ATOM 868 CB LEU A 93 81.897 5.607 17.561 1.00 40.49 C ATOM 869 CG LEU A 93 80.832 5.151 18.531 1.00 49.61 C ATOM 870 CD1 LEU A 93 80.915 5.814 19.919 1.00 53.07 C ATOM 871 CD2 LEU A 93 79.477 5.364 17.848 1.00 47.37 C ATOM 872 H LEU A 93 82.933 7.843 17.323 1.00 0.00 H ATOM 873 N GLY A 94 85.040 5.995 16.158 1.00 35.42 N ATOM 874 CA GLY A 94 85.871 5.537 15.050 1.00 36.55 C ATOM 875 C GLY A 94 85.067 4.856 13.960 1.00 41.36 C ATOM 876 O GLY A 94 85.596 3.902 13.314 1.00 37.61 O ATOM 877 H GLY A 94 84.987 7.021 16.322 1.00 0.00 H ATOM 878 N ALA A 95 83.806 5.301 13.786 1.00 34.78 N ATOM 879 CA ALA A 95 82.871 4.695 12.840 1.00 36.74 C ATOM 880 C ALA A 95 83.233 5.058 11.411 1.00 35.91 C ATOM 881 O ALA A 95 83.626 6.177 11.122 1.00 36.14 O ATOM 882 CB ALA A 95 81.467 5.112 13.176 1.00 35.77 C ATOM 883 H ALA A 95 83.484 6.113 14.351 1.00 0.00 H ATOM 884 N THR A 96 83.143 4.085 10.496 1.00 33.32 N ATOM 885 CA THR A 96 83.387 4.331 9.136 1.00 33.56 C ATOM 886 C THR A 96 82.294 3.692 8.270 1.00 32.47 C ATOM 887 O THR A 96 81.656 2.754 8.647 1.00 32.02 O ATOM 888 CB THR A 96 84.726 3.774 8.625 1.00 36.22 C ATOM 889 OG1 THR A 96 84.730 2.370 8.873 1.00 35.61 O ATOM 890 CG2 THR A 96 85.928 4.386 9.328 1.00 39.55 C ATOM 891 HG1 THR A 96 83.974 1.949 8.392 1.00 0.00 H ATOM 892 H THR A 96 82.886 3.124 10.800 1.00 0.00 H ATOM 893 N LEU A 97 82.121 4.254 7.085 1.00 32.11 N ATOM 894 CA LEU A 97 81.246 3.664 6.057 1.00 31.58 C ATOM 895 C LEU A 97 82.131 2.889 5.100 1.00 36.36 C ATOM 896 O LEU A 97 83.178 3.388 4.691 1.00 40.91 O ATOM 897 CB LEU A 97 80.569 4.850 5.385 1.00 36.37 C ATOM 898 CG LEU A 97 79.155 4.779 4.881 1.00 42.94 C ATOM 899 CD1 LEU A 97 78.233 3.957 5.738 1.00 36.93 C ATOM 900 CD2 LEU A 97 78.688 6.239 4.708 1.00 42.41 C ATOM 901 H LEU A 97 82.619 5.142 6.872 1.00 0.00 H ATOM 902 N ASN A 98 81.775 1.618 4.848 1.00 37.22 N ATOM 903 CA ASN A 98 82.654 0.770 4.040 1.00 39.12 C ATOM 904 C ASN A 98 81.838 0.125 2.916 1.00 40.78 C ATOM 905 O ASN A 98 80.713 -0.349 3.153 1.00 35.78 O ATOM 906 CB ASN A 98 83.267 -0.317 4.922 1.00 42.54 C ATOM 907 CG ASN A 98 84.099 0.286 6.031 1.00 45.43 C ATOM 908 OD1 ASN A 98 83.554 0.782 7.007 1.00 47.29 O ATOM 909 ND2 ASN A 98 85.402 0.344 5.838 1.00 50.40 N ATOM 910 HD22 ASN A 98 85.822 -0.092 4.993 1.00 0.00 H ATOM 911 HD21 ASN A 98 86.009 0.826 6.531 1.00 0.00 H ATOM 912 H ASN A 98 80.882 1.239 5.224 1.00 0.00 H ATOM 913 N PHE A 99 82.396 0.133 1.706 1.00 43.70 N ATOM 914 CA PHE A 99 81.780 -0.569 0.592 1.00 45.46 C ATOM 915 C PHE A 99 82.869 -0.878 -0.431 1.00 51.57 C ATOM 916 O PHE A 99 84.033 -0.670 -0.148 1.00 48.01 O ATOM 917 CB PHE A 99 80.590 0.200 0.005 1.00 44.25 C ATOM 918 CG PHE A 99 80.882 1.515 -0.643 1.00 45.44 C ATOM 919 CD1 PHE A 99 81.128 1.592 -2.013 1.00 51.65 C ATOM 920 CD2 PHE A 99 80.802 2.687 0.080 1.00 46.74 C ATOM 921 CE1 PHE A 99 81.371 2.812 -2.630 1.00 51.43 C ATOM 922 CE2 PHE A 99 81.010 3.907 -0.553 1.00 49.66 C ATOM 923 CZ PHE A 99 81.286 3.964 -1.893 1.00 49.05 C ATOM 924 OXT PHE A 99 82.514 -1.432 -1.443 1.00 55.32 O ATOM 925 H PHE A 99 83.286 0.650 1.556 1.00 0.00 H TER 926 PHE A 99 ATOM 927 N PRO B 1 85.627 1.562 -0.849 1.00 59.92 N ATOM 928 CA PRO B 1 86.427 2.425 0.021 1.00 56.47 C ATOM 929 C PRO B 1 86.080 2.267 1.510 1.00 53.16 C ATOM 930 O PRO B 1 85.094 1.587 1.853 1.00 50.31 O ATOM 931 CB PRO B 1 86.129 3.848 -0.491 1.00 59.55 C ATOM 932 CG PRO B 1 84.796 3.747 -1.196 1.00 59.46 C ATOM 933 CD PRO B 1 84.800 2.355 -1.777 1.00 63.53 C ATOM 934 HN2 PRO B 1 85.005 0.971 -0.261 1.00 0.00 H ATOM 935 HN1 PRO B 1 86.264 0.952 -1.400 1.00 0.00 H ATOM 936 N GLN B 2 86.908 2.844 2.383 1.00 49.85 N ATOM 937 CA GLN B 2 86.576 3.015 3.789 1.00 47.67 C ATOM 938 C GLN B 2 86.478 4.509 4.097 1.00 48.74 C ATOM 939 O GLN B 2 87.501 5.165 4.143 1.00 55.55 O ATOM 940 CB GLN B 2 87.604 2.370 4.720 1.00 51.99 C ATOM 941 CG GLN B 2 87.540 2.931 6.120 1.00 54.34 C ATOM 942 CD GLN B 2 88.295 2.102 7.125 1.00 68.21 C ATOM 943 OE1 GLN B 2 87.946 0.943 7.396 1.00 63.19 O ATOM 944 NE2 GLN B 2 89.312 2.729 7.712 1.00 75.55 N ATOM 945 HE22 GLN B 2 89.551 3.703 7.436 1.00 0.00 H ATOM 946 HE21 GLN B 2 89.867 2.245 8.446 1.00 0.00 H ATOM 947 H GLN B 2 87.830 3.186 2.044 1.00 0.00 H ATOM 948 N ILE B 3 85.271 5.036 4.374 1.00 40.02 N ATOM 949 CA ILE B 3 85.128 6.470 4.486 1.00 37.98 C ATOM 950 C ILE B 3 85.032 6.840 5.978 1.00 40.34 C ATOM 951 O ILE B 3 84.153 6.388 6.727 1.00 36.18 O ATOM 952 CB ILE B 3 83.913 6.934 3.679 1.00 43.39 C ATOM 953 CG1 ILE B 3 84.082 6.593 2.193 1.00 45.31 C ATOM 954 CG2 ILE B 3 83.659 8.433 3.883 1.00 37.90 C ATOM 955 CD1 ILE B 3 82.797 6.697 1.427 1.00 48.42 C ATOM 956 H ILE B 3 84.447 4.416 4.507 1.00 0.00 H ATOM 957 N THR B 4 85.913 7.760 6.409 1.00 37.56 N ATOM 958 CA THR B 4 85.870 8.337 7.702 1.00 38.20 C ATOM 959 C THR B 4 84.912 9.511 7.754 1.00 35.03 C ATOM 960 O THR B 4 84.562 10.040 6.757 1.00 38.51 O ATOM 961 CB THR B 4 87.286 8.729 8.160 1.00 38.15 C ATOM 962 OG1 THR B 4 87.789 9.684 7.252 1.00 41.25 O ATOM 963 CG2 THR B 4 88.203 7.530 8.211 1.00 44.40 C ATOM 964 HG1 THR B 4 87.819 9.290 6.344 1.00 0.00 H ATOM 965 H THR B 4 86.666 8.064 5.759 1.00 0.00 H ATOM 966 N LEU B 5 84.488 9.867 8.967 1.00 34.15 N ATOM 967 CA LEU B 5 83.284 10.694 9.182 1.00 30.13 C ATOM 968 C LEU B 5 83.622 12.015 9.852 1.00 33.66 C ATOM 969 O LEU B 5 82.761 12.729 10.282 1.00 33.40 O ATOM 970 CB LEU B 5 82.252 9.886 9.980 1.00 31.45 C ATOM 971 CG LEU B 5 81.672 8.726 9.203 1.00 32.91 C ATOM 972 CD1 LEU B 5 80.765 7.867 10.100 1.00 36.46 C ATOM 973 CD2 LEU B 5 80.908 9.255 7.967 1.00 34.19 C ATOM 974 H LEU B 5 85.028 9.549 9.797 1.00 0.00 H ATOM 975 N TRP B 6 84.903 12.419 9.821 1.00 31.69 N ATOM 976 CA TRP B 6 85.302 13.807 10.271 1.00 30.93 C ATOM 977 C TRP B 6 84.881 14.896 9.318 1.00 33.50 C ATOM 978 O TRP B 6 84.835 16.048 9.740 1.00 34.03 O ATOM 979 CB TRP B 6 86.780 13.878 10.629 1.00 31.04 C ATOM 980 CG TRP B 6 87.640 13.497 9.470 1.00 30.11 C ATOM 981 CD1 TRP B 6 88.245 12.282 9.259 1.00 34.08 C ATOM 982 CD2 TRP B 6 88.092 14.376 8.422 1.00 30.32 C ATOM 983 NE1 TRP B 6 89.001 12.349 8.122 1.00 35.73 N ATOM 984 CE2 TRP B 6 88.934 13.615 7.595 1.00 33.54 C ATOM 985 CE3 TRP B 6 87.847 15.694 8.086 1.00 32.11 C ATOM 986 CZ2 TRP B 6 89.504 14.144 6.438 1.00 37.81 C ATOM 987 CZ3 TRP B 6 88.440 16.228 6.974 1.00 36.10 C ATOM 988 CH2 TRP B 6 89.260 15.465 6.158 1.00 35.39 C ATOM 989 HE1 TRP B 6 89.545 11.560 7.717 1.00 0.00 H ATOM 990 H TRP B 6 85.635 11.764 9.481 1.00 0.00 H ATOM 991 N GLN B 7 84.563 14.497 8.084 1.00 33.32 N ATOM 992 CA GLN B 7 84.032 15.320 6.995 1.00 37.07 C ATOM 993 C GLN B 7 82.655 14.694 6.668 1.00 34.35 C ATOM 994 O GLN B 7 82.398 13.511 6.853 1.00 32.45 O ATOM 995 CB GLN B 7 84.969 15.204 5.757 1.00 41.10 C ATOM 996 CG GLN B 7 85.302 13.735 5.521 1.00 49.43 C ATOM 997 CD GLN B 7 86.352 13.250 4.553 1.00 57.85 C ATOM 998 OE1 GLN B 7 86.845 12.103 4.663 1.00 66.11 O ATOM 999 NE2 GLN B 7 86.670 14.098 3.586 1.00 68.68 N ATOM 1000 HE22 GLN B 7 86.224 15.037 3.550 1.00 0.00 H ATOM 1001 HE21 GLN B 7 87.365 13.825 2.862 1.00 0.00 H ATOM 1002 H GLN B 7 84.709 13.489 7.873 1.00 0.00 H ATOM 1003 N ARG B 8 81.850 15.466 5.974 1.00 34.37 N ATOM 1004 CA ARG B 8 80.661 14.903 5.333 1.00 34.25 C ATOM 1005 C ARG B 8 81.047 13.911 4.252 1.00 33.44 C ATOM 1006 O ARG B 8 81.917 14.179 3.402 1.00 33.63 O ATOM 1007 CB ARG B 8 79.851 16.038 4.708 1.00 32.15 C ATOM 1008 CG ARG B 8 79.183 16.986 5.690 1.00 33.87 C ATOM 1009 CD ARG B 8 78.433 18.196 5.062 1.00 38.12 C ATOM 1010 NE ARG B 8 77.891 19.100 6.083 1.00 35.83 N ATOM 1011 CZ ARG B 8 77.536 20.355 5.888 1.00 40.09 C ATOM 1012 NH1 ARG B 8 77.718 20.884 4.692 1.00 41.02 N ATOM 1013 NH2 ARG B 8 77.018 21.092 6.855 1.00 38.17 N ATOM 1014 HE ARG B 8 77.777 18.718 7.044 1.00 0.00 H ATOM 1015 HH12 ARG B 8 77.446 21.872 4.513 1.00 0.00 H ATOM 1016 HH11 ARG B 8 78.133 20.313 3.929 1.00 0.00 H ATOM 1017 HH22 ARG B 8 76.748 22.079 6.669 1.00 0.00 H ATOM 1018 HH21 ARG B 8 76.880 20.685 7.802 1.00 0.00 H ATOM 1019 H ARG B 8 82.058 16.481 5.880 1.00 0.00 H ATOM 1020 N PRO B 9 80.440 12.720 4.255 1.00 34.77 N ATOM 1021 CA PRO B 9 80.784 11.691 3.278 1.00 34.76 C ATOM 1022 C PRO B 9 80.157 11.832 1.879 1.00 37.50 C ATOM 1023 O PRO B 9 79.097 11.242 1.573 1.00 37.74 O ATOM 1024 CB PRO B 9 80.312 10.421 3.987 1.00 35.23 C ATOM 1025 CG PRO B 9 79.118 10.881 4.765 1.00 33.59 C ATOM 1026 CD PRO B 9 79.455 12.247 5.256 1.00 32.97 C ATOM 1027 N ILE B 10 80.765 12.718 1.054 1.00 37.08 N ATOM 1028 CA ILE B 10 80.275 13.119 -0.240 1.00 36.49 C ATOM 1029 C ILE B 10 80.922 12.204 -1.294 1.00 37.71 C ATOM 1030 O ILE B 10 82.133 11.988 -1.252 1.00 39.46 O ATOM 1031 CB ILE B 10 80.580 14.624 -0.456 1.00 42.55 C ATOM 1032 CG1 ILE B 10 79.788 15.458 0.569 1.00 46.33 C ATOM 1033 CG2 ILE B 10 80.229 15.066 -1.885 1.00 42.10 C ATOM 1034 CD1 ILE B 10 80.183 16.894 0.638 1.00 53.48 C ATOM 1035 H ILE B 10 81.656 13.142 1.381 1.00 0.00 H ATOM 1036 N VAL B 11 80.130 11.649 -2.213 1.00 38.91 N ATOM 1037 CA VAL B 11 80.596 10.871 -3.385 1.00 38.78 C ATOM 1038 C VAL B 11 80.115 11.501 -4.702 1.00 41.85 C ATOM 1039 O VAL B 11 79.092 12.221 -4.717 1.00 36.21 O ATOM 1040 CB VAL B 11 80.108 9.404 -3.298 1.00 39.43 C ATOM 1041 CG1 VAL B 11 80.684 8.709 -2.092 1.00 42.53 C ATOM 1042 CG2 VAL B 11 78.599 9.245 -3.291 1.00 39.23 C ATOM 1043 H VAL B 11 79.104 11.772 -2.098 1.00 0.00 H ATOM 1044 N THR B 12 80.828 11.172 -5.806 1.00 40.42 N ATOM 1045 CA THR B 12 80.408 11.508 -7.173 1.00 41.63 C ATOM 1046 C THR B 12 79.430 10.430 -7.657 1.00 42.27 C ATOM 1047 O THR B 12 79.613 9.231 -7.432 1.00 42.76 O ATOM 1048 CB THR B 12 81.651 11.649 -8.081 1.00 47.33 C ATOM 1049 OG1 THR B 12 82.479 12.670 -7.529 1.00 48.14 O ATOM 1050 CG2 THR B 12 81.368 12.058 -9.509 1.00 51.64 C ATOM 1051 HG1 THR B 12 83.285 12.781 -8.093 1.00 0.00 H ATOM 1052 H THR B 12 81.721 10.654 -5.679 1.00 0.00 H ATOM 1053 N ILE B 13 78.377 10.841 -8.343 1.00 36.35 N ATOM 1054 CA ILE B 13 77.418 9.902 -8.875 1.00 36.21 C ATOM 1055 C ILE B 13 77.233 10.260 -10.345 1.00 38.71 C ATOM 1056 O ILE B 13 77.470 11.430 -10.735 1.00 41.43 O ATOM 1057 CB ILE B 13 76.100 9.920 -8.110 1.00 38.01 C ATOM 1058 CG1 ILE B 13 75.373 11.225 -8.448 1.00 40.37 C ATOM 1059 CG2 ILE B 13 76.344 9.714 -6.607 1.00 41.26 C ATOM 1060 CD1 ILE B 13 74.034 11.345 -7.821 1.00 40.91 C ATOM 1061 H ILE B 13 78.237 11.859 -8.502 1.00 0.00 H ATOM 1062 N LYS B 14 76.684 9.317 -11.132 1.00 38.97 N ATOM 1063 CA LYS B 14 76.365 9.610 -12.485 1.00 39.06 C ATOM 1064 C LYS B 14 74.910 9.210 -12.718 1.00 43.96 C ATOM 1065 O LYS B 14 74.470 8.070 -12.439 1.00 39.95 O ATOM 1066 CB LYS B 14 77.343 8.935 -13.455 1.00 46.76 C ATOM 1067 CG LYS B 14 77.171 9.370 -14.906 1.00 52.89 C ATOM 1068 CD LYS B 14 78.440 9.196 -15.707 1.00 61.68 C ATOM 1069 CE LYS B 14 79.045 7.833 -15.479 1.00 64.35 C ATOM 1070 NZ LYS B 14 79.990 7.484 -16.574 1.00 76.48 N ATOM 1071 HZ1 LYS B 14 79.481 7.478 -17.481 1.00 0.00 H ATOM 1072 HZ2 LYS B 14 80.754 8.189 -16.609 1.00 0.00 H ATOM 1073 HZ3 LYS B 14 80.393 6.542 -16.395 1.00 0.00 H ATOM 1074 H LYS B 14 76.492 8.370 -10.748 1.00 0.00 H ATOM 1075 N ILE B 15 74.147 10.189 -13.172 1.00 38.55 N ATOM 1076 CA ILE B 15 72.760 10.016 -13.282 1.00 44.90 C ATOM 1077 C ILE B 15 72.337 10.840 -14.486 1.00 52.19 C ATOM 1078 O ILE B 15 72.741 12.048 -14.596 1.00 48.91 O ATOM 1079 CB ILE B 15 72.040 10.349 -11.965 1.00 44.19 C ATOM 1080 CG1 ILE B 15 70.560 9.993 -12.100 1.00 47.75 C ATOM 1081 CG2 ILE B 15 72.236 11.810 -11.547 1.00 44.21 C ATOM 1082 CD1 ILE B 15 69.784 9.900 -10.852 1.00 44.00 C ATOM 1083 H ILE B 15 74.578 11.094 -13.450 1.00 0.00 H ATOM 1084 N GLY B 16 71.651 10.151 -15.404 1.00 53.98 N ATOM 1085 CA GLY B 16 71.194 10.751 -16.639 1.00 57.23 C ATOM 1086 C GLY B 16 72.349 11.391 -17.377 1.00 52.99 C ATOM 1087 O GLY B 16 72.235 12.547 -17.783 1.00 63.67 O ATOM 1088 H GLY B 16 71.438 9.149 -15.224 1.00 0.00 H ATOM 1089 N GLY B 17 73.441 10.635 -17.538 1.00 60.09 N ATOM 1090 CA GLY B 17 74.628 11.045 -18.273 1.00 58.45 C ATOM 1091 C GLY B 17 75.355 12.227 -17.623 1.00 56.82 C ATOM 1092 O GLY B 17 76.359 12.673 -18.121 1.00 57.94 O ATOM 1093 H GLY B 17 73.442 9.688 -17.108 1.00 0.00 H ATOM 1094 N GLN B 18 74.918 12.679 -16.442 1.00 48.99 N ATOM 1095 CA GLN B 18 75.505 13.834 -15.794 1.00 49.49 C ATOM 1096 C GLN B 18 76.192 13.432 -14.478 1.00 51.50 C ATOM 1097 O GLN B 18 75.658 12.610 -13.701 1.00 48.22 O ATOM 1098 CB GLN B 18 74.372 14.819 -15.518 1.00 53.42 C ATOM 1099 CG GLN B 18 73.843 15.506 -16.763 1.00 54.37 C ATOM 1100 CD GLN B 18 74.806 16.617 -17.110 1.00 60.64 C ATOM 1101 OE1 GLN B 18 75.608 16.496 -18.026 1.00 58.42 O ATOM 1102 NE2 GLN B 18 74.848 17.644 -16.275 1.00 54.65 N ATOM 1103 HE22 GLN B 18 74.152 17.718 -15.506 1.00 0.00 H ATOM 1104 HE21 GLN B 18 75.577 18.377 -16.388 1.00 0.00 H ATOM 1105 H GLN B 18 74.131 12.185 -15.974 1.00 0.00 H ATOM 1106 N LEU B 19 77.300 14.112 -14.172 1.00 42.31 N ATOM 1107 CA LEU B 19 77.993 13.908 -12.945 1.00 43.76 C ATOM 1108 C LEU B 19 77.465 14.894 -11.900 1.00 40.83 C ATOM 1109 O LEU B 19 77.322 16.113 -12.185 1.00 36.22 O ATOM 1110 CB LEU B 19 79.478 14.185 -13.128 1.00 44.51 C ATOM 1111 CG LEU B 19 80.301 13.252 -13.998 1.00 51.39 C ATOM 1112 CD1 LEU B 19 81.746 13.713 -13.867 1.00 50.11 C ATOM 1113 CD2 LEU B 19 80.152 11.785 -13.573 1.00 51.04 C ATOM 1114 H LEU B 19 77.667 14.811 -14.849 1.00 0.00 H ATOM 1115 N ARG B 20 77.174 14.379 -10.708 1.00 35.70 N ATOM 1116 CA ARG B 20 76.703 15.157 -9.573 1.00 35.34 C ATOM 1117 C ARG B 20 77.483 14.692 -8.322 1.00 36.24 C ATOM 1118 O ARG B 20 78.179 13.644 -8.307 1.00 40.22 O ATOM 1119 CB ARG B 20 75.185 14.989 -9.384 1.00 35.00 C ATOM 1120 CG ARG B 20 74.291 15.527 -10.501 1.00 38.16 C ATOM 1121 CD ARG B 20 74.459 17.042 -10.564 1.00 38.42 C ATOM 1122 NE ARG B 20 73.549 17.648 -11.514 1.00 36.86 N ATOM 1123 CZ ARG B 20 73.849 17.963 -12.768 1.00 39.51 C ATOM 1124 NH1 ARG B 20 75.073 17.724 -13.234 1.00 36.75 N ATOM 1125 NH2 ARG B 20 72.917 18.516 -13.531 1.00 36.31 N ATOM 1126 HE ARG B 20 72.583 17.853 -11.187 1.00 0.00 H ATOM 1127 HH12 ARG B 20 75.313 17.969 -14.216 1.00 0.00 H ATOM 1128 HH11 ARG B 20 75.790 17.292 -12.616 1.00 0.00 H ATOM 1129 HH22 ARG B 20 73.134 18.769 -14.516 1.00 0.00 H ATOM 1130 HH21 ARG B 20 71.968 18.697 -13.145 1.00 0.00 H ATOM 1131 H ARG B 20 77.291 13.354 -10.580 1.00 0.00 H ATOM 1132 N GLU B 21 77.344 15.442 -7.227 1.00 35.87 N ATOM 1133 CA GLU B 21 77.859 14.995 -5.909 1.00 39.06 C ATOM 1134 C GLU B 21 76.672 14.706 -4.973 1.00 33.69 C ATOM 1135 O GLU B 21 75.657 15.324 -5.113 1.00 33.44 O ATOM 1136 CB GLU B 21 78.749 16.101 -5.337 1.00 42.03 C ATOM 1137 CG GLU B 21 80.076 16.185 -6.097 1.00 46.34 C ATOM 1138 CD GLU B 21 81.160 17.020 -5.411 1.00 55.98 C ATOM 1139 OE1 GLU B 21 80.834 17.872 -4.552 1.00 66.20 O ATOM 1140 OE2 GLU B 21 82.336 16.794 -5.708 1.00 69.74 O ATOM 1141 H GLU B 21 76.863 16.361 -7.299 1.00 0.00 H ATOM 1142 N ALA B 22 76.828 13.807 -4.012 1.00 31.86 N ATOM 1143 CA ALA B 22 75.764 13.588 -3.079 1.00 31.47 C ATOM 1144 C ALA B 22 76.338 13.043 -1.779 1.00 33.17 C ATOM 1145 O ALA B 22 77.387 12.439 -1.788 1.00 35.08 O ATOM 1146 CB ALA B 22 74.786 12.620 -3.666 1.00 33.05 C ATOM 1147 H ALA B 22 77.713 13.267 -3.936 1.00 0.00 H ATOM 1148 N LEU B 23 75.538 13.142 -0.731 1.00 31.17 N ATOM 1149 CA LEU B 23 75.942 12.798 0.639 1.00 32.39 C ATOM 1150 C LEU B 23 75.428 11.389 0.956 1.00 32.88 C ATOM 1151 O LEU B 23 74.242 11.088 0.801 1.00 33.08 O ATOM 1152 CB LEU B 23 75.321 13.822 1.570 1.00 35.20 C ATOM 1153 CG LEU B 23 75.408 13.582 3.092 1.00 42.99 C ATOM 1154 CD1 LEU B 23 76.780 14.000 3.497 1.00 45.59 C ATOM 1155 CD2 LEU B 23 74.345 14.435 3.819 1.00 40.06 C ATOM 1156 H LEU B 23 74.568 13.483 -0.885 1.00 0.00 H ATOM 1157 N LEU B 24 76.355 10.495 1.361 1.00 35.06 N ATOM 1158 CA LEU B 24 75.951 9.124 1.820 1.00 36.27 C ATOM 1159 C LEU B 24 75.329 9.216 3.201 1.00 35.45 C ATOM 1160 O LEU B 24 75.965 9.601 4.191 1.00 35.51 O ATOM 1161 CB LEU B 24 77.194 8.217 1.847 1.00 39.52 C ATOM 1162 CG LEU B 24 77.818 7.880 0.509 1.00 39.84 C ATOM 1163 CD1 LEU B 24 79.066 7.019 0.708 1.00 45.05 C ATOM 1164 CD2 LEU B 24 76.862 7.180 -0.425 1.00 41.94 C ATOM 1165 H LEU B 24 77.361 10.759 1.355 1.00 0.00 H ATOM 1166 N ASP B 25 74.001 9.000 3.255 1.00 33.15 N ATOM 1167 CA ASP B 25 73.207 9.293 4.404 1.00 34.26 C ATOM 1168 C ASP B 25 72.517 8.031 4.961 1.00 31.64 C ATOM 1169 O ASP B 25 71.435 7.646 4.481 1.00 31.32 O ATOM 1170 CB ASP B 25 72.143 10.336 4.108 1.00 36.17 C ATOM 1171 CG ASP B 25 71.365 10.802 5.306 1.00 38.43 C ATOM 1172 OD1 ASP B 25 71.606 10.357 6.424 1.00 36.57 O ATOM 1173 OD2 ASP B 25 70.541 11.732 5.136 1.00 44.33 O ATOM 1174 H ASP B 25 73.531 8.600 2.418 1.00 0.00 H ATOM 1175 N THR B 26 73.106 7.426 6.015 1.00 29.11 N ATOM 1176 CA THR B 26 72.506 6.273 6.644 1.00 29.09 C ATOM 1177 C THR B 26 71.187 6.576 7.336 1.00 31.33 C ATOM 1178 O THR B 26 70.450 5.611 7.643 1.00 32.58 O ATOM 1179 CB THR B 26 73.501 5.565 7.575 1.00 29.25 C ATOM 1180 OG1 THR B 26 73.865 6.515 8.574 1.00 30.27 O ATOM 1181 CG2 THR B 26 74.735 5.115 6.857 1.00 34.35 C ATOM 1182 HG1 THR B 26 73.056 6.798 9.069 1.00 0.00 H ATOM 1183 H THR B 26 74.007 7.797 6.380 1.00 0.00 H ATOM 1184 N GLY B 27 70.894 7.884 7.567 1.00 29.48 N ATOM 1185 CA GLY B 27 69.671 8.240 8.216 1.00 25.77 C ATOM 1186 C GLY B 27 68.617 8.578 7.187 1.00 30.38 C ATOM 1187 O GLY B 27 67.542 8.999 7.590 1.00 29.79 O ATOM 1188 H GLY B 27 71.560 8.626 7.271 1.00 0.00 H ATOM 1189 N ALA B 28 68.808 8.203 5.924 1.00 28.00 N ATOM 1190 CA ALA B 28 67.819 8.452 4.824 1.00 28.11 C ATOM 1191 C ALA B 28 67.301 7.094 4.344 1.00 30.16 C ATOM 1192 O ALA B 28 68.120 6.267 3.878 1.00 29.54 O ATOM 1193 CB ALA B 28 68.415 9.268 3.700 1.00 28.22 C ATOM 1194 H ALA B 28 69.692 7.710 5.687 1.00 0.00 H ATOM 1195 N ASP B 29 65.969 6.897 4.422 1.00 27.92 N ATOM 1196 CA ASP B 29 65.415 5.703 3.757 1.00 29.35 C ATOM 1197 C ASP B 29 65.666 5.718 2.234 1.00 33.99 C ATOM 1198 O ASP B 29 65.864 4.654 1.602 1.00 32.88 O ATOM 1199 CB ASP B 29 63.900 5.601 3.988 1.00 31.73 C ATOM 1200 CG ASP B 29 63.514 5.530 5.467 1.00 31.33 C ATOM 1201 OD1 ASP B 29 64.346 5.193 6.353 1.00 30.57 O ATOM 1202 OD2 ASP B 29 62.315 5.770 5.756 1.00 34.52 O ATOM 1203 H ASP B 29 65.355 7.563 4.933 1.00 0.00 H ATOM 1204 N ASP B 30 65.548 6.895 1.597 1.00 31.41 N ATOM 1205 CA ASP B 30 65.407 7.084 0.183 1.00 32.68 C ATOM 1206 C ASP B 30 66.548 7.999 -0.302 1.00 32.85 C ATOM 1207 O ASP B 30 67.299 8.659 0.529 1.00 32.81 O ATOM 1208 CB ASP B 30 64.040 7.643 -0.172 1.00 34.18 C ATOM 1209 CG ASP B 30 62.905 6.817 0.390 1.00 41.71 C ATOM 1210 OD1 ASP B 30 62.924 5.630 0.166 1.00 41.68 O ATOM 1211 OD2 ASP B 30 62.021 7.381 1.000 1.00 42.76 O ATOM 1212 H ASP B 30 65.560 7.752 2.187 1.00 0.00 H ATOM 1213 N THR B 31 66.631 8.095 -1.618 1.00 30.08 N ATOM 1214 CA THR B 31 67.628 8.960 -2.318 1.00 29.72 C ATOM 1215 C THR B 31 66.904 10.172 -2.884 1.00 32.42 C ATOM 1216 O THR B 31 65.869 9.969 -3.519 1.00 31.17 O ATOM 1217 CB THR B 31 68.347 8.120 -3.378 1.00 31.24 C ATOM 1218 OG1 THR B 31 69.114 7.111 -2.718 1.00 32.37 O ATOM 1219 CG2 THR B 31 69.210 8.905 -4.327 1.00 31.91 C ATOM 1220 HG1 THR B 31 68.511 6.536 -2.184 1.00 0.00 H ATOM 1221 H THR B 31 65.968 7.540 -2.196 1.00 0.00 H ATOM 1222 N VAL B 32 67.394 11.394 -2.549 1.00 30.74 N ATOM 1223 CA VAL B 32 66.824 12.586 -2.982 1.00 30.34 C ATOM 1224 C VAL B 32 67.863 13.438 -3.660 1.00 29.19 C ATOM 1225 O VAL B 32 68.880 13.807 -2.982 1.00 30.18 O ATOM 1226 CB VAL B 32 66.206 13.359 -1.786 1.00 32.05 C ATOM 1227 CG1 VAL B 32 65.263 14.419 -2.345 1.00 33.30 C ATOM 1228 CG2 VAL B 32 65.462 12.410 -0.871 1.00 34.20 C ATOM 1229 H VAL B 32 68.236 11.440 -1.940 1.00 0.00 H ATOM 1230 N LEU B 33 67.585 13.895 -4.907 1.00 28.73 N ATOM 1231 CA LEU B 33 68.451 14.815 -5.612 1.00 30.02 C ATOM 1232 C LEU B 33 67.638 16.056 -5.980 1.00 30.37 C ATOM 1233 O LEU B 33 66.443 15.976 -6.286 1.00 30.25 O ATOM 1234 CB LEU B 33 68.990 14.101 -6.874 1.00 31.04 C ATOM 1235 CG LEU B 33 69.620 12.725 -6.597 1.00 33.38 C ATOM 1236 CD1 LEU B 33 70.083 12.122 -7.904 1.00 38.68 C ATOM 1237 CD2 LEU B 33 70.807 12.827 -5.673 1.00 33.85 C ATOM 1238 H LEU B 33 66.715 13.571 -5.375 1.00 0.00 H ATOM 1239 N GLU B 34 68.274 17.220 -6.021 1.00 30.40 N ATOM 1240 CA GLU B 34 67.575 18.443 -6.417 1.00 30.54 C ATOM 1241 C GLU B 34 68.023 18.870 -7.824 1.00 33.35 C ATOM 1242 O GLU B 34 67.215 19.309 -8.621 1.00 31.39 O ATOM 1243 CB GLU B 34 67.785 19.464 -5.273 1.00 29.10 C ATOM 1244 CG GLU B 34 67.204 20.872 -5.401 1.00 33.29 C ATOM 1245 CD GLU B 34 67.643 21.693 -4.175 1.00 33.50 C ATOM 1246 OE1 GLU B 34 68.908 21.899 -3.997 1.00 44.20 O ATOM 1247 OE2 GLU B 34 66.834 22.010 -3.321 1.00 35.92 O ATOM 1248 H GLU B 34 69.282 17.264 -5.768 1.00 0.00 H ATOM 1249 N ASP B 35 69.302 18.726 -8.152 1.00 31.03 N ATOM 1250 CA ASP B 35 69.927 19.423 -9.313 1.00 32.27 C ATOM 1251 C ASP B 35 70.043 18.532 -10.579 1.00 34.44 C ATOM 1252 O ASP B 35 71.035 18.526 -11.286 1.00 36.54 O ATOM 1253 CB ASP B 35 71.274 19.963 -8.866 1.00 34.89 C ATOM 1254 CG ASP B 35 72.264 18.962 -8.415 1.00 33.91 C ATOM 1255 OD1 ASP B 35 71.940 17.747 -8.388 1.00 33.39 O ATOM 1256 OD2 ASP B 35 73.436 19.367 -8.229 1.00 36.25 O ATOM 1257 H ASP B 35 69.895 18.098 -7.572 1.00 0.00 H ATOM 1258 N ILE B 36 69.007 17.744 -10.840 1.00 35.62 N ATOM 1259 CA ILE B 36 68.890 17.011 -12.091 1.00 38.09 C ATOM 1260 C ILE B 36 67.406 16.970 -12.452 1.00 38.20 C ATOM 1261 O ILE B 36 66.574 16.948 -11.582 1.00 39.52 O ATOM 1262 CB ILE B 36 69.519 15.607 -11.978 1.00 42.61 C ATOM 1263 CG1 ILE B 36 69.645 14.877 -13.327 1.00 49.63 C ATOM 1264 CG2 ILE B 36 68.698 14.772 -11.038 1.00 39.71 C ATOM 1265 CD1 ILE B 36 70.954 15.045 -14.043 1.00 54.79 C ATOM 1266 H ILE B 36 68.255 17.648 -10.128 1.00 0.00 H ATOM 1267 N ASP B 37 67.108 16.906 -13.752 1.00 40.27 N ATOM 1268 CA ASP B 37 65.772 16.612 -14.261 1.00 38.83 C ATOM 1269 C ASP B 37 65.789 15.142 -14.769 1.00 40.73 C ATOM 1270 O ASP B 37 66.749 14.734 -15.393 1.00 44.29 O ATOM 1271 CB ASP B 37 65.417 17.530 -15.448 1.00 40.23 C ATOM 1272 CG ASP B 37 65.243 18.994 -15.067 1.00 44.94 C ATOM 1273 OD1 ASP B 37 65.097 19.294 -13.862 1.00 44.99 O ATOM 1274 OD2 ASP B 37 65.290 19.813 -15.973 1.00 55.30 O ATOM 1275 H ASP B 37 67.870 17.075 -14.440 1.00 0.00 H ATOM 1276 N LEU B 38 64.762 14.372 -14.437 1.00 37.98 N ATOM 1277 CA LEU B 38 64.680 12.989 -14.910 1.00 40.66 C ATOM 1278 C LEU B 38 63.520 12.920 -15.906 1.00 43.43 C ATOM 1279 O LEU B 38 62.520 13.632 -15.787 1.00 40.34 O ATOM 1280 CB LEU B 38 64.457 12.008 -13.778 1.00 38.67 C ATOM 1281 CG LEU B 38 65.626 11.835 -12.813 1.00 39.51 C ATOM 1282 CD1 LEU B 38 65.254 10.841 -11.740 1.00 37.08 C ATOM 1283 CD2 LEU B 38 66.888 11.473 -13.553 1.00 40.43 C ATOM 1284 H LEU B 38 64.006 14.755 -13.834 1.00 0.00 H ATOM 1285 N PRO B 39 63.635 12.043 -16.918 1.00 49.06 N ATOM 1286 CA PRO B 39 62.584 11.893 -17.931 1.00 48.39 C ATOM 1287 C PRO B 39 61.466 10.885 -17.615 1.00 49.41 C ATOM 1288 O PRO B 39 61.617 9.998 -16.795 1.00 45.35 O ATOM 1289 CB PRO B 39 63.420 11.420 -19.128 1.00 49.32 C ATOM 1290 CG PRO B 39 64.499 10.569 -18.523 1.00 49.66 C ATOM 1291 CD PRO B 39 64.861 11.293 -17.226 1.00 45.28 C ATOM 1292 N GLY B 40 60.291 11.057 -18.239 1.00 53.00 N ATOM 1293 CA GLY B 40 59.246 10.022 -18.115 1.00 52.06 C ATOM 1294 C GLY B 40 58.281 10.303 -16.980 1.00 53.34 C ATOM 1295 O GLY B 40 58.307 11.407 -16.373 1.00 55.07 O ATOM 1296 H GLY B 40 60.118 11.912 -18.805 1.00 0.00 H ATOM 1297 N ARG B 41 57.431 9.319 -16.662 1.00 51.20 N ATOM 1298 CA ARG B 41 56.369 9.547 -15.668 1.00 56.81 C ATOM 1299 C ARG B 41 56.883 9.328 -14.220 1.00 49.23 C ATOM 1300 O ARG B 41 57.857 8.662 -14.013 1.00 46.36 O ATOM 1301 CB ARG B 41 55.162 8.650 -15.928 1.00 64.94 C ATOM 1302 CG ARG B 41 53.901 9.153 -15.238 1.00 73.22 C ATOM 1303 CD ARG B 41 53.794 10.682 -15.155 1.00 75.25 C ATOM 1304 NE ARG B 41 53.026 11.087 -13.992 1.00 72.66 N ATOM 1305 CZ ARG B 41 52.749 12.345 -13.660 1.00 79.74 C ATOM 1306 NH1 ARG B 41 53.212 13.340 -14.397 1.00 77.42 N ATOM 1307 NH2 ARG B 41 52.001 12.604 -12.596 1.00 73.89 N ATOM 1308 HE ARG B 41 52.664 10.336 -13.370 1.00 0.00 H ATOM 1309 HH12 ARG B 41 52.996 14.324 -14.138 1.00 0.00 H ATOM 1310 HH11 ARG B 41 53.793 13.139 -15.236 1.00 0.00 H ATOM 1311 HH22 ARG B 41 51.786 13.588 -12.339 1.00 0.00 H ATOM 1312 HH21 ARG B 41 51.629 11.823 -12.019 1.00 0.00 H ATOM 1313 H ARG B 41 57.521 8.389 -17.119 1.00 0.00 H ATOM 1314 N TRP B 42 56.131 9.851 -13.249 1.00 53.09 N ATOM 1315 CA TRP B 42 56.463 9.814 -11.821 1.00 52.21 C ATOM 1316 C TRP B 42 55.180 9.796 -10.983 1.00 57.54 C ATOM 1317 O TRP B 42 54.087 9.971 -11.509 1.00 54.12 O ATOM 1318 CB TRP B 42 57.318 11.036 -11.500 1.00 49.86 C ATOM 1319 CG TRP B 42 56.735 12.336 -11.919 1.00 49.71 C ATOM 1320 CD1 TRP B 42 56.939 12.966 -13.104 1.00 49.62 C ATOM 1321 CD2 TRP B 42 55.885 13.187 -11.136 1.00 50.88 C ATOM 1322 NE1 TRP B 42 56.275 14.152 -13.114 1.00 57.73 N ATOM 1323 CE2 TRP B 42 55.594 14.305 -11.935 1.00 54.77 C ATOM 1324 CE3 TRP B 42 55.331 13.101 -9.862 1.00 54.24 C ATOM 1325 CZ2 TRP B 42 54.774 15.342 -11.496 1.00 58.64 C ATOM 1326 CZ3 TRP B 42 54.521 14.127 -9.416 1.00 59.19 C ATOM 1327 CH2 TRP B 42 54.255 15.235 -10.226 1.00 59.11 C ATOM 1328 HE1 TRP B 42 56.283 14.838 -13.896 1.00 0.00 H ATOM 1329 H TRP B 42 55.244 10.319 -13.525 1.00 0.00 H ATOM 1330 N LYS B 43 55.308 9.592 -9.671 1.00 48.30 N ATOM 1331 CA LYS B 43 54.185 9.786 -8.794 1.00 53.11 C ATOM 1332 C LYS B 43 54.586 10.722 -7.669 1.00 52.47 C ATOM 1333 O LYS B 43 55.730 10.687 -7.213 1.00 47.61 O ATOM 1334 CB LYS B 43 53.665 8.488 -8.185 1.00 59.57 C ATOM 1335 CG LYS B 43 54.693 7.388 -8.019 1.00 69.54 C ATOM 1336 CD LYS B 43 54.059 6.079 -7.589 1.00 75.60 C ATOM 1337 CE LYS B 43 53.843 5.115 -8.730 1.00 79.18 C ATOM 1338 NZ LYS B 43 53.573 3.748 -8.220 1.00 83.74 N ATOM 1339 HZ1 LYS B 43 54.384 3.424 -7.655 1.00 0.00 H ATOM 1340 HZ2 LYS B 43 52.719 3.763 -7.627 1.00 0.00 H ATOM 1341 HZ3 LYS B 43 53.428 3.102 -9.022 1.00 0.00 H ATOM 1342 H LYS B 43 56.224 9.291 -9.281 1.00 0.00 H ATOM 1343 N PRO B 44 53.651 11.574 -7.212 1.00 52.46 N ATOM 1344 CA PRO B 44 53.870 12.357 -6.007 1.00 50.10 C ATOM 1345 C PRO B 44 54.272 11.461 -4.817 1.00 52.02 C ATOM 1346 O PRO B 44 53.890 10.267 -4.714 1.00 50.56 O ATOM 1347 CB PRO B 44 52.541 13.110 -5.804 1.00 56.71 C ATOM 1348 CG PRO B 44 51.814 13.036 -7.127 1.00 58.86 C ATOM 1349 CD PRO B 44 52.342 11.821 -7.849 1.00 57.20 C ATOM 1350 N LYS B 45 55.155 11.979 -3.938 1.00 43.01 N ATOM 1351 CA LYS B 45 55.517 11.265 -2.726 1.00 45.12 C ATOM 1352 C LYS B 45 55.890 12.310 -1.688 1.00 42.33 C ATOM 1353 O LYS B 45 56.362 13.334 -2.035 1.00 42.28 O ATOM 1354 CB LYS B 45 56.726 10.328 -2.837 1.00 48.29 C ATOM 1355 CG LYS B 45 57.193 9.811 -1.477 1.00 52.12 C ATOM 1356 CD LYS B 45 58.251 8.752 -1.434 1.00 55.81 C ATOM 1357 CE LYS B 45 57.996 7.733 -0.342 1.00 57.27 C ATOM 1358 NZ LYS B 45 59.229 6.987 -0.032 1.00 68.71 N ATOM 1359 HZ1 LYS B 45 59.557 6.492 -0.886 1.00 0.00 H ATOM 1360 HZ2 LYS B 45 59.963 7.650 0.289 1.00 0.00 H ATOM 1361 HZ3 LYS B 45 59.034 6.294 0.718 1.00 0.00 H ATOM 1362 H LYS B 45 55.584 12.906 -4.132 1.00 0.00 H ATOM 1363 N LEU B 46 55.548 12.024 -0.453 1.00 42.35 N ATOM 1364 CA LEU B 46 55.833 12.883 0.604 1.00 48.45 C ATOM 1365 C LEU B 46 57.065 12.331 1.339 1.00 41.25 C ATOM 1366 O LEU B 46 57.117 11.186 1.696 1.00 42.03 O ATOM 1367 CB LEU B 46 54.569 12.884 1.436 1.00 53.42 C ATOM 1368 CG LEU B 46 54.132 14.226 2.006 1.00 59.01 C ATOM 1369 CD1 LEU B 46 54.783 14.378 3.347 1.00 56.48 C ATOM 1370 CD2 LEU B 46 54.418 15.406 1.072 1.00 58.44 C ATOM 1371 H LEU B 46 55.051 11.131 -0.260 1.00 0.00 H ATOM 1372 N ILE B 47 58.032 13.213 1.660 1.00 39.63 N ATOM 1373 CA ILE B 47 59.147 12.785 2.521 1.00 31.88 C ATOM 1374 C ILE B 47 59.212 13.688 3.744 1.00 32.58 C ATOM 1375 O ILE B 47 58.722 14.877 3.725 1.00 31.20 O ATOM 1376 CB ILE B 47 60.492 12.846 1.790 1.00 30.91 C ATOM 1377 CG1 ILE B 47 60.807 14.221 1.257 1.00 32.15 C ATOM 1378 CG2 ILE B 47 60.511 11.793 0.715 1.00 33.64 C ATOM 1379 CD1 ILE B 47 62.203 14.342 0.675 1.00 33.59 C ATOM 1380 H ILE B 47 57.991 14.189 1.302 1.00 0.00 H ATOM 1381 N VAL B 48 59.793 13.134 4.782 1.00 33.76 N ATOM 1382 CA VAL B 48 59.871 13.897 5.995 1.00 37.69 C ATOM 1383 C VAL B 48 61.313 13.909 6.504 1.00 40.93 C ATOM 1384 O VAL B 48 61.980 12.907 6.567 1.00 35.64 O ATOM 1385 CB VAL B 48 58.850 13.384 7.019 1.00 40.49 C ATOM 1386 CG1 VAL B 48 59.044 11.960 7.394 1.00 43.32 C ATOM 1387 CG2 VAL B 48 58.799 14.273 8.270 1.00 45.11 C ATOM 1388 H VAL B 48 60.185 12.172 4.727 1.00 0.00 H ATOM 1389 N GLY B 49 61.719 15.078 6.968 1.00 38.39 N ATOM 1390 CA GLY B 49 63.029 15.255 7.719 1.00 39.14 C ATOM 1391 C GLY B 49 62.855 16.151 8.940 1.00 33.86 C ATOM 1392 O GLY B 49 61.705 16.361 9.513 1.00 33.08 O ATOM 1393 H GLY B 49 61.117 15.912 6.813 1.00 0.00 H ATOM 1394 N ILE B 50 63.952 16.836 9.280 1.00 31.11 N ATOM 1395 CA ILE B 50 64.006 17.525 10.545 1.00 30.30 C ATOM 1396 C ILE B 50 63.261 18.854 10.436 1.00 29.43 C ATOM 1397 O ILE B 50 62.723 19.311 11.432 1.00 30.91 O ATOM 1398 CB ILE B 50 65.452 17.680 11.077 1.00 35.12 C ATOM 1399 CG1 ILE B 50 65.763 16.594 12.106 1.00 39.70 C ATOM 1400 CG2 ILE B 50 65.634 19.061 11.668 1.00 39.92 C ATOM 1401 CD1 ILE B 50 67.033 16.741 12.824 1.00 46.07 C ATOM 1402 H ILE B 50 64.765 16.872 8.633 1.00 0.00 H ATOM 1403 N GLY B 51 63.124 19.415 9.221 1.00 28.61 N ATOM 1404 CA GLY B 51 62.378 20.634 9.084 1.00 29.10 C ATOM 1405 C GLY B 51 60.840 20.452 8.938 1.00 30.60 C ATOM 1406 O GLY B 51 60.058 21.404 8.791 1.00 31.52 O ATOM 1407 H GLY B 51 63.556 18.969 8.387 1.00 0.00 H ATOM 1408 N GLY B 52 60.365 19.216 8.865 1.00 34.39 N ATOM 1409 CA GLY B 52 58.938 18.940 8.375 1.00 33.82 C ATOM 1410 C GLY B 52 58.933 18.174 7.059 1.00 33.71 C ATOM 1411 O GLY B 52 59.952 17.609 6.583 1.00 45.83 O ATOM 1412 H GLY B 52 60.971 18.419 9.145 1.00 0.00 H ATOM 1413 N PHE B 53 57.866 18.270 6.312 1.00 29.65 N ATOM 1414 CA PHE B 53 57.745 17.443 5.195 1.00 32.29 C ATOM 1415 C PHE B 53 57.914 18.266 3.916 1.00 32.59 C ATOM 1416 O PHE B 53 57.694 19.475 3.948 1.00 35.26 O ATOM 1417 CB PHE B 53 56.390 16.728 5.261 1.00 32.30 C ATOM 1418 CG PHE B 53 55.131 17.567 5.292 1.00 35.20 C ATOM 1419 CD1 PHE B 53 54.669 18.200 4.141 1.00 33.46 C ATOM 1420 CD2 PHE B 53 54.349 17.687 6.452 1.00 35.45 C ATOM 1421 CE1 PHE B 53 53.475 18.879 4.107 1.00 40.56 C ATOM 1422 CE2 PHE B 53 53.159 18.381 6.405 1.00 41.73 C ATOM 1423 CZ PHE B 53 52.736 18.990 5.245 1.00 44.53 C ATOM 1424 H PHE B 53 57.118 18.953 6.546 1.00 0.00 H ATOM 1425 N VAL B 54 58.120 17.542 2.808 1.00 33.20 N ATOM 1426 CA VAL B 54 58.326 18.089 1.507 1.00 37.61 C ATOM 1427 C VAL B 54 57.689 17.177 0.481 1.00 35.81 C ATOM 1428 O VAL B 54 57.878 15.973 0.564 1.00 35.00 O ATOM 1429 CB VAL B 54 59.854 18.107 1.203 1.00 42.68 C ATOM 1430 CG1 VAL B 54 60.068 18.585 -0.212 1.00 48.00 C ATOM 1431 CG2 VAL B 54 60.595 19.009 2.144 1.00 51.67 C ATOM 1432 H VAL B 54 58.130 16.506 2.903 1.00 0.00 H ATOM 1433 N LYS B 55 57.085 17.768 -0.558 1.00 37.76 N ATOM 1434 CA LYS B 55 56.558 16.981 -1.655 1.00 40.73 C ATOM 1435 C LYS B 55 57.630 16.834 -2.731 1.00 38.52 C ATOM 1436 O LYS B 55 58.320 17.800 -3.129 1.00 42.00 O ATOM 1437 CB LYS B 55 55.339 17.661 -2.300 1.00 49.73 C ATOM 1438 CG LYS B 55 54.106 17.681 -1.424 1.00 55.18 C ATOM 1439 CD LYS B 55 52.962 18.481 -2.040 1.00 65.61 C ATOM 1440 CE LYS B 55 51.743 18.587 -1.142 1.00 72.96 C ATOM 1441 NZ LYS B 55 50.660 19.354 -1.813 1.00 81.23 N ATOM 1442 HZ1 LYS B 55 51.000 20.312 -2.033 1.00 0.00 H ATOM 1443 HZ2 LYS B 55 50.389 18.871 -2.693 1.00 0.00 H ATOM 1444 HZ3 LYS B 55 49.836 19.414 -1.181 1.00 0.00 H ATOM 1445 H LYS B 55 56.993 18.804 -0.578 1.00 0.00 H ATOM 1446 N VAL B 56 57.801 15.605 -3.196 1.00 34.45 N ATOM 1447 CA VAL B 56 58.786 15.344 -4.222 1.00 36.65 C ATOM 1448 C VAL B 56 58.183 14.488 -5.351 1.00 40.17 C ATOM 1449 O VAL B 56 57.060 13.983 -5.216 1.00 41.84 O ATOM 1450 CB VAL B 56 60.022 14.690 -3.617 1.00 35.17 C ATOM 1451 CG1 VAL B 56 60.624 15.609 -2.535 1.00 37.19 C ATOM 1452 CG2 VAL B 56 59.737 13.303 -3.076 1.00 36.66 C ATOM 1453 H VAL B 56 57.224 14.825 -2.821 1.00 0.00 H ATOM 1454 N ARG B 57 58.965 14.314 -6.406 1.00 39.86 N ATOM 1455 CA ARG B 57 58.627 13.404 -7.509 1.00 43.74 C ATOM 1456 C ARG B 57 59.302 12.073 -7.274 1.00 42.85 C ATOM 1457 O ARG B 57 60.563 12.030 -7.066 1.00 42.01 O ATOM 1458 CB ARG B 57 59.074 13.935 -8.876 1.00 44.62 C ATOM 1459 CG ARG B 57 58.515 15.304 -9.215 1.00 48.27 C ATOM 1460 CD ARG B 57 58.810 15.623 -10.656 1.00 50.48 C ATOM 1461 NE ARG B 57 57.882 16.617 -11.179 1.00 57.45 N ATOM 1462 CZ ARG B 57 57.842 16.959 -12.458 1.00 56.74 C ATOM 1463 NH1 ARG B 57 58.826 16.575 -13.248 1.00 51.93 N ATOM 1464 NH2 ARG B 57 56.892 17.771 -12.886 1.00 58.75 N ATOM 1465 HE ARG B 57 57.223 17.078 -10.520 1.00 0.00 H ATOM 1466 HH12 ARG B 57 58.815 16.833 -14.256 1.00 0.00 H ATOM 1467 HH11 ARG B 57 59.613 16.015 -12.863 1.00 0.00 H ATOM 1468 HH22 ARG B 57 56.854 18.044 -13.889 1.00 0.00 H ATOM 1469 HH21 ARG B 57 56.182 18.137 -12.220 1.00 0.00 H ATOM 1470 H ARG B 57 59.858 14.845 -6.456 1.00 0.00 H ATOM 1471 N GLN B 58 58.513 10.982 -7.316 1.00 38.57 N ATOM 1472 CA GLN B 58 59.090 9.637 -7.241 1.00 36.56 C ATOM 1473 C GLN B 58 59.240 9.054 -8.646 1.00 45.03 C ATOM 1474 O GLN B 58 58.229 8.862 -9.338 1.00 41.59 O ATOM 1475 CB GLN B 58 58.239 8.660 -6.428 1.00 39.56 C ATOM 1476 CG GLN B 58 58.870 7.302 -6.249 1.00 38.83 C ATOM 1477 CD GLN B 58 58.123 6.370 -5.300 1.00 46.32 C ATOM 1478 OE1 GLN B 58 57.819 6.691 -4.161 1.00 52.36 O ATOM 1479 NE2 GLN B 58 57.773 5.179 -5.753 1.00 51.03 N ATOM 1480 HE22 GLN B 58 58.027 4.896 -6.721 1.00 0.00 H ATOM 1481 HE21 GLN B 58 57.244 4.525 -5.142 1.00 0.00 H ATOM 1482 H GLN B 58 57.483 11.095 -7.403 1.00 0.00 H ATOM 1483 N TYR B 59 60.488 8.903 -9.079 1.00 38.87 N ATOM 1484 CA TYR B 59 60.838 8.294 -10.329 1.00 43.37 C ATOM 1485 C TYR B 59 61.286 6.875 -10.032 1.00 47.95 C ATOM 1486 O TYR B 59 62.105 6.625 -9.151 1.00 42.15 O ATOM 1487 CB TYR B 59 61.957 9.046 -11.048 1.00 37.78 C ATOM 1488 CG TYR B 59 61.559 10.382 -11.625 1.00 41.54 C ATOM 1489 CD1 TYR B 59 61.588 11.551 -10.885 1.00 35.27 C ATOM 1490 CD2 TYR B 59 61.090 10.469 -12.931 1.00 44.46 C ATOM 1491 CE1 TYR B 59 61.217 12.769 -11.407 1.00 38.37 C ATOM 1492 CE2 TYR B 59 60.713 11.687 -13.466 1.00 45.33 C ATOM 1493 CZ TYR B 59 60.748 12.833 -12.718 1.00 42.77 C ATOM 1494 OH TYR B 59 60.351 14.008 -13.298 1.00 46.50 O ATOM 1495 HH TYR B 59 60.927 14.200 -14.080 1.00 0.00 H ATOM 1496 H TYR B 59 61.259 9.248 -8.473 1.00 0.00 H ATOM 1497 N GLU B 60 60.753 5.919 -10.800 1.00 47.03 N ATOM 1498 CA GLU B 60 61.084 4.546 -10.539 1.00 46.30 C ATOM 1499 C GLU B 60 62.044 4.014 -11.603 1.00 48.57 C ATOM 1500 O GLU B 60 62.140 4.553 -12.710 1.00 46.38 O ATOM 1501 CB GLU B 60 59.812 3.691 -10.500 1.00 52.84 C ATOM 1502 CG GLU B 60 59.154 3.761 -9.133 1.00 58.75 C ATOM 1503 CD GLU B 60 57.722 3.318 -9.092 1.00 62.08 C ATOM 1504 OE1 GLU B 60 57.431 2.314 -9.715 1.00 67.03 O ATOM 1505 OE2 GLU B 60 56.923 4.003 -8.436 1.00 69.18 O ATOM 1506 H GLU B 60 60.107 6.166 -11.577 1.00 0.00 H ATOM 1507 N GLN B 61 62.690 2.915 -11.224 1.00 44.65 N ATOM 1508 CA GLN B 61 63.586 2.154 -12.068 1.00 51.06 C ATOM 1509 C GLN B 61 64.535 3.127 -12.774 1.00 46.51 C ATOM 1510 O GLN B 61 64.761 3.110 -14.014 1.00 46.86 O ATOM 1511 CB GLN B 61 62.761 1.225 -12.970 1.00 52.99 C ATOM 1512 CG GLN B 61 62.201 -0.013 -12.251 1.00 56.08 C ATOM 1513 CD GLN B 61 63.137 -1.204 -12.131 1.00 57.57 C ATOM 1514 OE1 GLN B 61 63.247 -2.065 -13.014 1.00 58.96 O ATOM 1515 NE2 GLN B 61 63.778 -1.314 -10.979 1.00 56.98 N ATOM 1516 HE22 GLN B 61 63.671 -0.578 -10.252 1.00 0.00 H ATOM 1517 HE21 GLN B 61 64.389 -2.136 -10.801 1.00 0.00 H ATOM 1518 H GLN B 61 62.541 2.578 -10.251 1.00 0.00 H ATOM 1519 N VAL B 62 65.157 3.987 -11.957 1.00 46.33 N ATOM 1520 CA VAL B 62 66.179 4.912 -12.494 1.00 40.79 C ATOM 1521 C VAL B 62 67.572 4.277 -12.464 1.00 36.97 C ATOM 1522 O VAL B 62 68.003 3.821 -11.450 1.00 36.24 O ATOM 1523 CB VAL B 62 66.223 6.215 -11.661 1.00 39.28 C ATOM 1524 CG1 VAL B 62 67.316 7.128 -12.209 1.00 40.59 C ATOM 1525 CG2 VAL B 62 64.828 6.816 -11.654 1.00 38.28 C ATOM 1526 H VAL B 62 64.921 4.004 -10.944 1.00 0.00 H ATOM 1527 N PRO B 63 68.352 4.290 -13.562 1.00 43.93 N ATOM 1528 CA PRO B 63 69.747 3.878 -13.506 1.00 39.78 C ATOM 1529 C PRO B 63 70.722 4.918 -12.962 1.00 41.74 C ATOM 1530 O PRO B 63 70.604 6.131 -13.290 1.00 40.11 O ATOM 1531 CB PRO B 63 70.067 3.634 -14.998 1.00 41.48 C ATOM 1532 CG PRO B 63 69.262 4.613 -15.717 1.00 47.48 C ATOM 1533 CD PRO B 63 67.957 4.696 -14.927 1.00 48.14 C ATOM 1534 N ILE B 64 71.659 4.469 -12.152 1.00 37.98 N ATOM 1535 CA ILE B 64 72.512 5.404 -11.427 1.00 43.06 C ATOM 1536 C ILE B 64 73.808 4.690 -11.158 1.00 42.43 C ATOM 1537 O ILE B 64 73.834 3.467 -10.977 1.00 46.20 O ATOM 1538 CB ILE B 64 71.887 6.001 -10.123 1.00 43.41 C ATOM 1539 CG1 ILE B 64 72.843 6.972 -9.428 1.00 46.60 C ATOM 1540 CG2 ILE B 64 71.531 4.956 -9.093 1.00 44.99 C ATOM 1541 CD1 ILE B 64 72.150 7.782 -8.270 1.00 45.98 C ATOM 1542 H ILE B 64 71.791 3.445 -12.029 1.00 0.00 H ATOM 1543 N GLU B 65 74.922 5.423 -11.267 1.00 40.86 N ATOM 1544 CA GLU B 65 76.237 4.889 -10.970 1.00 42.81 C ATOM 1545 C GLU B 65 76.947 5.665 -9.849 1.00 43.20 C ATOM 1546 O GLU B 65 77.019 6.881 -9.929 1.00 42.79 O ATOM 1547 CB GLU B 65 77.045 4.946 -12.254 1.00 51.97 C ATOM 1548 CG GLU B 65 78.386 4.291 -12.165 1.00 59.33 C ATOM 1549 CD GLU B 65 79.231 4.658 -13.369 1.00 70.29 C ATOM 1550 OE1 GLU B 65 78.711 4.508 -14.528 1.00 64.94 O ATOM 1551 OE2 GLU B 65 80.370 5.159 -13.142 1.00 76.24 O ATOM 1552 H GLU B 65 74.842 6.413 -11.576 1.00 0.00 H ATOM 1553 N ILE B 66 77.633 5.008 -8.884 1.00 46.23 N ATOM 1554 CA ILE B 66 78.048 5.767 -7.646 1.00 47.61 C ATOM 1555 C ILE B 66 79.557 5.770 -7.372 1.00 53.20 C ATOM 1556 O ILE B 66 80.133 6.729 -6.846 1.00 51.39 O ATOM 1557 CB ILE B 66 77.265 5.281 -6.422 1.00 47.49 C ATOM 1558 CG1 ILE B 66 75.792 5.650 -6.522 1.00 44.85 C ATOM 1559 CG2 ILE B 66 77.896 5.792 -5.133 1.00 47.09 C ATOM 1560 CD1 ILE B 66 75.024 5.467 -5.243 1.00 44.88 C ATOM 1561 H ILE B 66 77.869 4.001 -8.993 1.00 0.00 H ATOM 1562 N ALA B 67 80.222 4.675 -7.683 1.00 57.78 N ATOM 1563 CA ALA B 67 81.649 4.649 -7.530 1.00 60.88 C ATOM 1564 C ALA B 67 82.192 3.955 -8.765 1.00 64.25 C ATOM 1565 O ALA B 67 83.101 4.463 -9.418 1.00 68.02 O ATOM 1566 CB ALA B 67 82.028 3.941 -6.254 1.00 61.18 C ATOM 1567 H ALA B 67 79.717 3.837 -8.036 1.00 0.00 H ATOM 1568 N GLY B 68 81.635 2.763 -8.984 1.00 58.75 N ATOM 1569 CA GLY B 68 81.529 2.091 -10.273 1.00 56.65 C ATOM 1570 C GLY B 68 80.514 0.955 -10.171 1.00 58.63 C ATOM 1571 O GLY B 68 80.690 -0.132 -10.804 1.00 63.04 O ATOM 1572 H GLY B 68 81.240 2.268 -8.159 1.00 0.00 H ATOM 1573 N HIS B 69 79.498 1.162 -9.307 1.00 47.21 N ATOM 1574 CA HIS B 69 78.345 0.279 -9.163 1.00 49.59 C ATOM 1575 C HIS B 69 77.183 0.868 -9.956 1.00 51.49 C ATOM 1576 O HIS B 69 76.700 1.989 -9.638 1.00 49.04 O ATOM 1577 CB HIS B 69 77.977 0.113 -7.679 1.00 53.93 C ATOM 1578 CG HIS B 69 79.102 -0.391 -6.832 1.00 56.17 C ATOM 1579 ND1 HIS B 69 80.240 0.395 -6.548 1.00 60.36 N ATOM 1580 CD2 HIS B 69 79.265 -1.590 -6.204 1.00 56.40 C ATOM 1581 CE1 HIS B 69 81.065 -0.320 -5.801 1.00 62.12 C ATOM 1582 NE2 HIS B 69 80.487 -1.539 -5.582 1.00 59.38 N ATOM 1583 H HIS B 69 79.540 2.008 -8.703 1.00 0.00 H ATOM 1584 N LYS B 70 76.735 0.097 -10.939 1.00 44.47 N ATOM 1585 CA LYS B 70 75.661 0.462 -11.826 1.00 49.94 C ATOM 1586 C LYS B 70 74.338 -0.069 -11.249 1.00 53.82 C ATOM 1587 O LYS B 70 74.071 -1.257 -11.500 1.00 53.06 O ATOM 1588 CB LYS B 70 76.044 -0.143 -13.176 1.00 52.35 C ATOM 1589 CG LYS B 70 77.300 0.505 -13.790 1.00 51.42 C ATOM 1590 CD LYS B 70 77.629 -0.020 -15.184 1.00 60.72 C ATOM 1591 CE LYS B 70 78.586 0.889 -15.947 1.00 66.51 C ATOM 1592 NZ LYS B 70 78.681 0.515 -17.382 1.00 65.78 N ATOM 1593 HZ1 LYS B 70 79.026 -0.463 -17.462 1.00 0.00 H ATOM 1594 HZ2 LYS B 70 77.741 0.589 -17.821 1.00 0.00 H ATOM 1595 HZ3 LYS B 70 79.342 1.158 -17.864 1.00 0.00 H ATOM 1596 H LYS B 70 77.188 -0.829 -11.077 1.00 0.00 H ATOM 1597 N VAL B 71 73.603 0.741 -10.436 1.00 48.66 N ATOM 1598 CA VAL B 71 72.370 0.174 -9.795 1.00 48.35 C ATOM 1599 C VAL B 71 71.143 0.907 -10.308 1.00 46.13 C ATOM 1600 O VAL B 71 71.249 1.852 -11.072 1.00 41.00 O ATOM 1601 CB VAL B 71 72.467 0.106 -8.275 1.00 52.58 C ATOM 1602 CG1 VAL B 71 73.557 -0.884 -7.898 1.00 55.46 C ATOM 1603 CG2 VAL B 71 72.718 1.472 -7.638 1.00 52.42 C ATOM 1604 H VAL B 71 73.889 1.726 -10.264 1.00 0.00 H ATOM 1605 N VAL B 72 69.988 0.307 -10.085 1.00 46.59 N ATOM 1606 CA VAL B 72 68.742 0.835 -10.573 1.00 47.49 C ATOM 1607 C VAL B 72 67.922 0.945 -9.296 1.00 48.38 C ATOM 1608 O VAL B 72 68.011 0.088 -8.432 1.00 44.84 O ATOM 1609 CB VAL B 72 68.080 -0.049 -11.651 1.00 46.28 C ATOM 1610 CG1 VAL B 72 66.601 0.274 -11.836 1.00 48.98 C ATOM 1611 CG2 VAL B 72 68.765 0.034 -13.010 1.00 46.85 C ATOM 1612 H VAL B 72 69.979 -0.577 -9.538 1.00 0.00 H ATOM 1613 N GLY B 73 67.229 2.060 -9.149 1.00 44.80 N ATOM 1614 CA GLY B 73 66.586 2.372 -7.879 1.00 43.75 C ATOM 1615 C GLY B 73 65.624 3.512 -8.059 1.00 40.99 C ATOM 1616 O GLY B 73 65.570 4.155 -9.108 1.00 39.61 O ATOM 1617 H GLY B 73 67.141 2.721 -9.947 1.00 0.00 H ATOM 1618 N THR B 74 64.801 3.672 -7.042 1.00 38.75 N ATOM 1619 CA THR B 74 63.913 4.776 -6.970 1.00 40.90 C ATOM 1620 C THR B 74 64.814 5.982 -6.679 1.00 35.48 C ATOM 1621 O THR B 74 65.706 5.861 -5.861 1.00 35.27 O ATOM 1622 CB THR B 74 62.858 4.454 -5.905 1.00 42.32 C ATOM 1623 OG1 THR B 74 62.154 3.325 -6.441 1.00 39.61 O ATOM 1624 CG2 THR B 74 61.936 5.602 -5.590 1.00 43.05 C ATOM 1625 HG1 THR B 74 62.788 2.576 -6.576 1.00 0.00 H ATOM 1626 H THR B 74 64.803 2.972 -6.273 1.00 0.00 H ATOM 1627 N VAL B 75 64.549 7.101 -7.345 1.00 35.19 N ATOM 1628 CA VAL B 75 65.178 8.374 -7.053 1.00 34.81 C ATOM 1629 C VAL B 75 64.080 9.371 -6.885 1.00 35.39 C ATOM 1630 O VAL B 75 63.165 9.493 -7.747 1.00 34.96 O ATOM 1631 CB VAL B 75 66.167 8.800 -8.145 1.00 33.77 C ATOM 1632 CG1 VAL B 75 66.694 10.222 -7.909 1.00 34.66 C ATOM 1633 CG2 VAL B 75 67.318 7.828 -8.229 1.00 36.85 C ATOM 1634 H VAL B 75 63.853 7.061 -8.117 1.00 0.00 H ATOM 1635 N LEU B 76 64.159 10.117 -5.763 1.00 32.37 N ATOM 1636 CA LEU B 76 63.230 11.142 -5.569 1.00 32.93 C ATOM 1637 C LEU B 76 63.874 12.431 -6.046 1.00 31.49 C ATOM 1638 O LEU B 76 65.065 12.699 -5.781 1.00 33.06 O ATOM 1639 CB LEU B 76 62.902 11.243 -4.080 1.00 30.63 C ATOM 1640 CG LEU B 76 62.510 9.938 -3.411 1.00 30.89 C ATOM 1641 CD1 LEU B 76 62.044 10.157 -2.004 1.00 31.17 C ATOM 1642 CD2 LEU B 76 61.402 9.248 -4.218 1.00 32.78 C ATOM 1643 H LEU B 76 64.898 9.932 -5.055 1.00 0.00 H ATOM 1644 N ILE B 77 63.065 13.256 -6.702 1.00 32.00 N ATOM 1645 CA ILE B 77 63.534 14.593 -7.108 1.00 33.57 C ATOM 1646 C ILE B 77 62.717 15.681 -6.430 1.00 31.60 C ATOM 1647 O ILE B 77 61.466 15.764 -6.577 1.00 34.16 O ATOM 1648 CB ILE B 77 63.371 14.704 -8.622 1.00 34.91 C ATOM 1649 CG1 ILE B 77 64.171 13.591 -9.302 1.00 33.76 C ATOM 1650 CG2 ILE B 77 63.758 16.083 -9.091 1.00 34.66 C ATOM 1651 CD1 ILE B 77 65.625 13.729 -9.260 1.00 33.87 C ATOM 1652 H ILE B 77 62.096 12.957 -6.930 1.00 0.00 H ATOM 1653 N GLY B 78 63.402 16.574 -5.757 1.00 31.26 N ATOM 1654 CA GLY B 78 62.731 17.696 -5.111 1.00 32.43 C ATOM 1655 C GLY B 78 63.706 18.522 -4.321 1.00 28.91 C ATOM 1656 O GLY B 78 64.921 18.236 -4.228 1.00 31.65 O ATOM 1657 H GLY B 78 64.435 16.481 -5.683 1.00 0.00 H ATOM 1658 N PRO B 79 63.159 19.449 -3.530 1.00 30.67 N ATOM 1659 CA PRO B 79 64.002 20.263 -2.691 1.00 36.60 C ATOM 1660 C PRO B 79 64.683 19.552 -1.535 1.00 34.60 C ATOM 1661 O PRO B 79 64.070 18.852 -0.742 1.00 36.55 O ATOM 1662 CB PRO B 79 63.077 21.355 -2.121 1.00 38.77 C ATOM 1663 CG PRO B 79 61.831 21.253 -2.866 1.00 32.58 C ATOM 1664 CD PRO B 79 61.749 19.898 -3.559 1.00 32.28 C ATOM 1665 N THR B 80 65.986 19.766 -1.419 1.00 33.15 N ATOM 1666 CA THR B 80 66.696 19.309 -0.397 1.00 34.28 C ATOM 1667 C THR B 80 67.935 20.175 -0.314 1.00 40.79 C ATOM 1668 O THR B 80 68.429 20.582 -1.359 1.00 42.00 O ATOM 1669 CB THR B 80 67.010 17.797 -0.537 1.00 33.85 C ATOM 1670 OG1 THR B 80 68.048 17.474 0.417 1.00 31.94 O ATOM 1671 CG2 THR B 80 67.549 17.451 -1.915 1.00 33.96 C ATOM 1672 HG1 THR B 80 68.855 18.014 0.221 1.00 0.00 H ATOM 1673 H THR B 80 66.470 20.314 -2.159 1.00 0.00 H ATOM 1674 N PRO B 81 68.399 20.499 0.902 1.00 38.07 N ATOM 1675 CA PRO B 81 69.634 21.261 1.096 1.00 44.77 C ATOM 1676 C PRO B 81 70.911 20.627 0.526 1.00 41.00 C ATOM 1677 O PRO B 81 71.886 21.324 0.247 1.00 39.67 O ATOM 1678 CB PRO B 81 69.761 21.470 2.606 1.00 45.79 C ATOM 1679 CG PRO B 81 68.529 20.847 3.262 1.00 46.57 C ATOM 1680 CD PRO B 81 67.679 20.236 2.156 1.00 45.25 C ATOM 1681 N SER B 82 70.920 19.285 0.405 1.00 38.82 N ATOM 1682 CA SER B 82 72.017 18.559 -0.151 1.00 37.62 C ATOM 1683 C SER B 82 71.451 17.348 -0.903 1.00 34.54 C ATOM 1684 O SER B 82 70.598 16.704 -0.403 1.00 31.83 O ATOM 1685 CB SER B 82 72.955 18.027 0.920 1.00 45.47 C ATOM 1686 OG SER B 82 73.881 17.110 0.329 1.00 48.11 O ATOM 1687 HG SER B 82 73.384 16.357 -0.079 1.00 0.00 H ATOM 1688 H SER B 82 70.089 18.753 0.732 1.00 0.00 H ATOM 1689 N ASN B 83 72.008 17.010 -2.058 1.00 29.92 N ATOM 1690 CA ASN B 83 71.740 15.706 -2.637 1.00 29.09 C ATOM 1691 C ASN B 83 72.080 14.615 -1.618 1.00 28.72 C ATOM 1692 O ASN B 83 73.142 14.693 -0.972 1.00 29.83 O ATOM 1693 CB ASN B 83 72.584 15.526 -3.904 1.00 28.43 C ATOM 1694 CG ASN B 83 72.140 16.376 -5.075 1.00 31.84 C ATOM 1695 OD1 ASN B 83 71.005 16.828 -5.110 1.00 30.12 O ATOM 1696 ND2 ASN B 83 72.978 16.463 -6.119 1.00 30.50 N ATOM 1697 HD22 ASN B 83 73.937 16.066 -6.051 1.00 0.00 H ATOM 1698 HD21 ASN B 83 72.669 16.928 -6.997 1.00 0.00 H ATOM 1699 H ASN B 83 72.636 17.678 -2.548 1.00 0.00 H ATOM 1700 N ILE B 84 71.247 13.583 -1.503 1.00 29.56 N ATOM 1701 CA ILE B 84 71.584 12.532 -0.587 1.00 26.49 C ATOM 1702 C ILE B 84 71.285 11.160 -1.195 1.00 26.93 C ATOM 1703 O ILE B 84 70.324 10.952 -1.890 1.00 27.24 O ATOM 1704 CB ILE B 84 70.874 12.685 0.752 1.00 25.09 C ATOM 1705 CG1 ILE B 84 69.371 12.912 0.577 1.00 25.13 C ATOM 1706 CG2 ILE B 84 71.551 13.720 1.612 1.00 24.84 C ATOM 1707 CD1 ILE B 84 68.587 12.778 1.844 1.00 25.82 C ATOM 1708 H ILE B 84 70.372 13.540 -2.064 1.00 0.00 H ATOM 1709 N ILE B 85 72.150 10.216 -0.828 1.00 27.10 N ATOM 1710 CA ILE B 85 72.027 8.833 -1.239 1.00 27.63 C ATOM 1711 C ILE B 85 71.601 8.117 0.009 1.00 30.07 C ATOM 1712 O ILE B 85 72.287 8.181 1.029 1.00 31.69 O ATOM 1713 CB ILE B 85 73.341 8.214 -1.750 1.00 31.04 C ATOM 1714 CG1 ILE B 85 73.955 9.010 -2.889 1.00 32.74 C ATOM 1715 CG2 ILE B 85 73.168 6.753 -2.129 1.00 33.07 C ATOM 1716 CD1 ILE B 85 73.054 9.215 -4.027 1.00 34.57 C ATOM 1717 H ILE B 85 72.949 10.484 -0.219 1.00 0.00 H ATOM 1718 N GLY B 86 70.421 7.524 -0.062 1.00 28.88 N ATOM 1719 CA GLY B 86 69.876 6.819 1.083 1.00 27.26 C ATOM 1720 C GLY B 86 70.111 5.327 1.041 1.00 30.36 C ATOM 1721 O GLY B 86 70.746 4.778 0.148 1.00 30.68 O ATOM 1722 H GLY B 86 69.878 7.563 -0.948 1.00 0.00 H ATOM 1723 N ARG B 87 69.502 4.678 2.027 1.00 29.46 N ATOM 1724 CA ARG B 87 69.732 3.238 2.248 1.00 31.19 C ATOM 1725 C ARG B 87 69.202 2.406 1.081 1.00 35.04 C ATOM 1726 O ARG B 87 69.768 1.271 0.848 1.00 36.28 O ATOM 1727 CB ARG B 87 69.069 2.744 3.535 1.00 32.01 C ATOM 1728 CG ARG B 87 69.634 3.315 4.844 1.00 30.18 C ATOM 1729 CD ARG B 87 69.042 2.717 6.094 1.00 31.35 C ATOM 1730 NE ARG B 87 67.608 2.912 6.258 1.00 33.03 N ATOM 1731 CZ ARG B 87 66.662 2.092 5.824 1.00 34.27 C ATOM 1732 NH1 ARG B 87 66.940 0.844 5.418 1.00 31.51 N ATOM 1733 NH2 ARG B 87 65.400 2.512 5.835 1.00 35.94 N ATOM 1734 HE ARG B 87 67.300 3.769 6.759 1.00 0.00 H ATOM 1735 HH12 ARG B 87 66.175 0.224 5.083 1.00 0.00 H ATOM 1736 HH11 ARG B 87 67.920 0.497 5.439 1.00 0.00 H ATOM 1737 HH22 ARG B 87 64.641 1.886 5.499 1.00 0.00 H ATOM 1738 HH21 ARG B 87 65.173 3.467 6.179 1.00 0.00 H ATOM 1739 H ARG B 87 68.852 5.194 2.654 1.00 0.00 H ATOM 1740 N ASN B 88 68.193 2.867 0.355 1.00 33.51 N ATOM 1741 CA ASN B 88 67.638 2.172 -0.861 1.00 35.72 C ATOM 1742 C ASN B 88 68.754 1.904 -1.892 1.00 38.66 C ATOM 1743 O ASN B 88 68.786 0.823 -2.528 1.00 41.99 O ATOM 1744 CB ASN B 88 66.456 2.859 -1.494 1.00 38.20 C ATOM 1745 CG ASN B 88 66.847 4.080 -2.312 1.00 38.57 C ATOM 1746 OD1 ASN B 88 67.588 4.983 -1.827 1.00 34.59 O ATOM 1747 ND2 ASN B 88 66.451 4.036 -3.575 1.00 36.52 N ATOM 1748 HD22 ASN B 88 65.840 3.260 -3.902 1.00 0.00 H ATOM 1749 HD21 ASN B 88 66.751 4.777 -4.240 1.00 0.00 H ATOM 1750 H ASN B 88 67.757 3.766 0.643 1.00 0.00 H ATOM 1751 N LEU B 89 69.707 2.802 -2.019 1.00 32.48 N ATOM 1752 CA LEU B 89 70.832 2.614 -2.931 1.00 32.26 C ATOM 1753 C LEU B 89 72.066 2.108 -2.192 1.00 33.04 C ATOM 1754 O LEU B 89 72.856 1.265 -2.759 1.00 34.87 O ATOM 1755 CB LEU B 89 71.140 3.856 -3.735 1.00 32.00 C ATOM 1756 CG LEU B 89 70.062 4.241 -4.736 1.00 34.73 C ATOM 1757 CD1 LEU B 89 70.517 5.471 -5.534 1.00 38.80 C ATOM 1758 CD2 LEU B 89 69.751 3.081 -5.677 1.00 38.20 C ATOM 1759 H LEU B 89 69.658 3.673 -1.452 1.00 0.00 H ATOM 1760 N MET B 90 72.289 2.516 -0.951 1.00 31.56 N ATOM 1761 CA MET B 90 73.442 2.037 -0.189 1.00 31.86 C ATOM 1762 C MET B 90 73.392 0.514 0.050 1.00 32.14 C ATOM 1763 O MET B 90 74.432 -0.126 0.023 1.00 33.72 O ATOM 1764 CB MET B 90 73.661 2.808 1.117 1.00 34.44 C ATOM 1765 CG MET B 90 74.185 4.209 0.787 1.00 36.79 C ATOM 1766 SD MET B 90 74.635 5.023 2.384 1.00 43.76 S ATOM 1767 CE MET B 90 73.065 5.248 3.149 1.00 41.87 C ATOM 1768 H MET B 90 71.631 3.190 -0.510 1.00 0.00 H ATOM 1769 N THR B 91 72.207 -0.088 0.239 1.00 30.57 N ATOM 1770 CA THR B 91 72.043 -1.560 0.323 1.00 33.05 C ATOM 1771 C THR B 91 72.645 -2.199 -0.932 1.00 34.59 C ATOM 1772 O THR B 91 73.279 -3.252 -0.873 1.00 33.44 O ATOM 1773 CB THR B 91 70.562 -1.979 0.432 1.00 39.47 C ATOM 1774 OG1 THR B 91 70.374 -3.372 0.729 1.00 42.32 O ATOM 1775 CG2 THR B 91 69.802 -1.743 -0.854 1.00 40.96 C ATOM 1776 HG1 THR B 91 69.405 -3.569 0.784 1.00 0.00 H ATOM 1777 H THR B 91 71.360 0.509 0.331 1.00 0.00 H ATOM 1778 N GLN B 92 72.401 -1.558 -2.096 1.00 35.02 N ATOM 1779 CA GLN B 92 72.772 -2.162 -3.357 1.00 34.27 C ATOM 1780 C GLN B 92 74.289 -2.096 -3.540 1.00 36.05 C ATOM 1781 O GLN B 92 74.834 -2.840 -4.288 1.00 35.49 O ATOM 1782 CB GLN B 92 72.038 -1.489 -4.540 1.00 37.10 C ATOM 1783 CG GLN B 92 70.540 -1.682 -4.473 1.00 40.87 C ATOM 1784 CD GLN B 92 70.195 -3.136 -4.742 1.00 53.41 C ATOM 1785 OE1 GLN B 92 70.550 -3.708 -5.775 1.00 60.55 O ATOM 1786 NE2 GLN B 92 69.558 -3.773 -3.771 1.00 53.94 N ATOM 1787 HE22 GLN B 92 69.273 -3.260 -2.912 1.00 0.00 H ATOM 1788 HE21 GLN B 92 69.343 -4.786 -3.867 1.00 0.00 H ATOM 1789 H GLN B 92 71.943 -0.624 -2.085 1.00 0.00 H ATOM 1790 N LEU B 93 74.975 -1.196 -2.818 1.00 32.81 N ATOM 1791 CA LEU B 93 76.454 -1.069 -2.859 1.00 36.92 C ATOM 1792 C LEU B 93 77.115 -2.042 -1.888 1.00 39.56 C ATOM 1793 O LEU B 93 78.307 -2.094 -1.861 1.00 39.35 O ATOM 1794 CB LEU B 93 76.841 0.359 -2.396 1.00 39.12 C ATOM 1795 CG LEU B 93 76.606 1.547 -3.286 1.00 45.70 C ATOM 1796 CD1 LEU B 93 77.081 2.811 -2.532 1.00 45.75 C ATOM 1797 CD2 LEU B 93 77.356 1.398 -4.616 1.00 46.08 C ATOM 1798 H LEU B 93 74.443 -0.554 -2.197 1.00 0.00 H ATOM 1799 N GLY B 94 76.341 -2.755 -1.050 1.00 34.85 N ATOM 1800 CA GLY B 94 76.774 -3.555 0.077 1.00 36.29 C ATOM 1801 C GLY B 94 77.488 -2.744 1.151 1.00 40.49 C ATOM 1802 O GLY B 94 78.462 -3.235 1.775 1.00 37.63 O ATOM 1803 H GLY B 94 75.317 -2.729 -1.232 1.00 0.00 H ATOM 1804 N ALA B 95 77.037 -1.490 1.323 1.00 35.02 N ATOM 1805 CA ALA B 95 77.650 -0.570 2.300 1.00 35.24 C ATOM 1806 C ALA B 95 77.264 -0.920 3.717 1.00 35.10 C ATOM 1807 O ALA B 95 76.136 -1.302 3.997 1.00 34.79 O ATOM 1808 CB ALA B 95 77.292 0.850 1.946 1.00 35.45 C ATOM 1809 H ALA B 95 76.234 -1.159 0.752 1.00 0.00 H ATOM 1810 N THR B 96 78.230 -0.822 4.638 1.00 32.98 N ATOM 1811 CA THR B 96 78.002 -1.076 5.997 1.00 32.36 C ATOM 1812 C THR B 96 78.607 0.030 6.871 1.00 33.17 C ATOM 1813 O THR B 96 79.539 0.678 6.483 1.00 33.15 O ATOM 1814 CB THR B 96 78.618 -2.398 6.489 1.00 34.99 C ATOM 1815 OG1 THR B 96 80.017 -2.383 6.241 1.00 34.30 O ATOM 1816 CG2 THR B 96 78.024 -3.598 5.780 1.00 37.34 C ATOM 1817 HG1 THR B 96 80.429 -1.624 6.725 1.00 0.00 H ATOM 1818 H THR B 96 79.186 -0.547 4.334 1.00 0.00 H ATOM 1819 N LEU B 97 78.064 0.168 8.070 1.00 32.05 N ATOM 1820 CA LEU B 97 78.664 1.052 9.097 1.00 30.95 C ATOM 1821 C LEU B 97 79.405 0.186 10.066 1.00 34.84 C ATOM 1822 O LEU B 97 78.884 -0.835 10.453 1.00 40.33 O ATOM 1823 CB LEU B 97 77.563 1.749 9.872 1.00 35.05 C ATOM 1824 CG LEU B 97 77.122 3.058 9.352 1.00 37.13 C ATOM 1825 CD1 LEU B 97 75.935 3.564 10.219 1.00 38.35 C ATOM 1826 CD2 LEU B 97 78.319 4.029 9.408 1.00 34.76 C ATOM 1827 H LEU B 97 77.195 -0.357 8.297 1.00 0.00 H ATOM 1828 N ASN B 98 80.677 0.540 10.316 1.00 35.96 N ATOM 1829 CA ASN B 98 81.533 -0.308 11.088 1.00 36.78 C ATOM 1830 C ASN B 98 82.207 0.498 12.199 1.00 38.40 C ATOM 1831 O ASN B 98 82.648 1.626 11.954 1.00 37.22 O ATOM 1832 CB ASN B 98 82.630 -0.865 10.196 1.00 38.75 C ATOM 1833 CG ASN B 98 82.028 -1.743 9.128 1.00 43.90 C ATOM 1834 OD1 ASN B 98 81.909 -2.958 9.327 1.00 56.14 O ATOM 1835 ND2 ASN B 98 81.555 -1.135 8.065 1.00 46.36 N ATOM 1836 HD22 ASN B 98 81.685 -0.109 7.951 1.00 0.00 H ATOM 1837 HD21 ASN B 98 81.050 -1.679 7.337 1.00 0.00 H ATOM 1838 H ASN B 98 81.043 1.440 9.945 1.00 0.00 H ATOM 1839 N PHE B 99 82.266 -0.107 13.398 1.00 40.60 N ATOM 1840 CA PHE B 99 82.926 0.523 14.549 1.00 43.44 C ATOM 1841 C PHE B 99 83.219 -0.547 15.601 1.00 52.65 C ATOM 1842 O PHE B 99 83.901 -0.192 16.570 1.00 52.88 O ATOM 1843 CB PHE B 99 82.105 1.714 15.079 1.00 43.93 C ATOM 1844 CG PHE B 99 80.792 1.415 15.740 1.00 45.66 C ATOM 1845 CD1 PHE B 99 79.604 1.497 15.026 1.00 46.62 C ATOM 1846 CD2 PHE B 99 80.737 1.182 17.113 1.00 51.30 C ATOM 1847 CE1 PHE B 99 78.395 1.287 15.672 1.00 49.50 C ATOM 1848 CE2 PHE B 99 79.522 0.944 17.743 1.00 52.18 C ATOM 1849 CZ PHE B 99 78.361 1.019 17.016 1.00 49.17 C ATOM 1850 OXT PHE B 99 82.880 -1.715 15.368 1.00 49.75 O ATOM 1851 H PHE B 99 81.833 -1.046 13.514 1.00 0.00 H TER 1852 PHE B 99 HETATM 1853 O HOH 1 82.890 0.350 27.915 1.00 55.65 O HETATM 1854 O HOH 2 75.647 23.632 27.799 1.00 47.96 O HETATM 1855 O HOH 3 86.199 21.021 27.891 1.00 46.72 O HETATM 1856 O HOH 4 63.957 17.946 26.736 1.00 46.95 O HETATM 1857 O HOH 5 80.566 20.058 23.633 1.00 42.02 O HETATM 1858 O HOH 6 65.838 -0.727 12.426 1.00 43.90 O HETATM 1859 O HOH 7 83.990 14.451 17.342 1.00 49.89 O HETATM 1860 O HOH 8 77.436 19.499 17.470 1.00 49.58 O HETATM 1861 O HOH 9 66.882 19.838 28.073 1.00 50.85 O HETATM 1862 O HOH 10 73.530 19.077 30.140 1.00 35.42 O HETATM 1863 O HOH 11 64.359 6.661 22.577 1.00 36.01 O HETATM 1864 O HOH 12 68.695 22.620 31.011 1.00 46.92 O HETATM 1865 O HOH 13 77.137 14.540 7.281 1.00 32.52 O HETATM 1866 O HOH 14 78.846 -7.275 4.784 1.00 55.58 O HETATM 1867 O HOH 15 77.781 21.798 10.926 1.00 54.67 O HETATM 1868 O HOH 16 61.822 23.941 18.875 1.00 48.97 O HETATM 1869 O HOH 17 61.896 25.963 15.542 1.00 55.33 O HETATM 1870 O HOH 18 85.354 8.313 11.424 1.00 43.21 O HETATM 1871 O HOH 19 80.246 17.513 13.189 1.00 46.29 O HETATM 1872 O HOH 20 75.370 16.748 6.938 1.00 31.88 O HETATM 1873 O HOH 21 58.684 6.404 7.696 1.00 45.02 O HETATM 1874 O HOH 22 80.631 17.082 19.839 1.00 39.23 O HETATM 1875 O HOH 23 75.543 17.770 18.415 1.00 35.51 O HETATM 1876 O HOH 24 65.085 13.318 31.132 1.00 49.34 O HETATM 1877 O HOH 25 63.902 -0.144 9.309 1.00 47.63 O HETATM 1878 O HOH 26 64.532 20.405 27.034 1.00 43.96 O HETATM 1879 O HOH 27 70.728 -2.016 12.750 1.00 46.49 O HETATM 1880 O HOH 28 63.261 8.553 18.575 1.00 45.45 O HETATM 1881 O HOH 29 73.531 -5.402 11.064 1.00 43.09 O HETATM 1882 O HOH 30 72.774 28.623 15.046 1.00 46.26 O HETATM 1883 O HOH 31 64.988 5.718 17.789 1.00 39.52 O HETATM 1884 O HOH 32 64.018 21.532 24.644 1.00 53.41 O HETATM 1885 O HOH 33 80.184 19.302 18.052 1.00 51.47 O HETATM 1886 O HOH 34 88.986 5.965 13.696 1.00 50.41 O HETATM 1887 O HOH 35 74.336 21.560 -8.962 1.00 39.47 O HETATM 1888 O HOH 36 57.711 22.645 9.050 1.00 50.20 O HETATM 1889 O HOH 37 58.617 6.675 -12.693 1.00 46.70 O HETATM 1890 O HOH 38 64.399 18.402 -11.559 1.00 44.25 O HETATM 1891 O HOH 39 65.666 22.945 4.456 1.00 42.47 O HETATM 1892 O HOH 40 62.263 1.788 -8.555 1.00 42.94 O HETATM 1893 O HOH 41 63.010 4.959 -2.362 1.00 49.44 O HETATM 1894 O HOH 42 66.233 16.044 7.540 1.00 32.69 O HETATM 1895 O HOH 43 83.119 16.425 2.676 1.00 44.51 O HETATM 1896 O HOH 44 62.505 15.525 -13.007 1.00 52.28 O HETATM 1897 O HOH 45 60.763 23.961 9.004 1.00 47.04 O HETATM 1898 O HOH 46 60.438 4.602 4.170 1.00 58.01 O HETATM 1899 O HOH 47 61.994 6.999 -13.907 1.00 51.46 O HETATM 1900 O HOH 48 73.968 -2.914 3.609 1.00 43.02 O HETATM 1901 O HOH 49 56.475 20.429 -0.574 1.00 55.26 O HETATM 1902 O HOH 50 63.331 8.802 -15.026 1.00 48.88 O HETATM 1903 O HOH 51 67.745 5.176 7.890 1.00 31.74 O HETATM 1904 O HOH 52 64.846 2.120 1.987 1.00 47.74 O HETATM 1905 O HOH 53 89.677 3.393 10.412 1.00 58.86 O HETATM 1906 O HOH 54 65.624 6.933 8.146 1.00 31.77 O HETATM 1907 O HOH 55 63.713 20.385 1.602 1.00 27.66 O HETATM 1908 O HOH 56 75.711 17.928 -7.371 1.00 35.93 O HETATM 1909 O HOH 57 58.407 20.541 -3.868 1.00 46.37 O HETATM 1910 O HOH 58 65.194 1.742 -4.712 1.00 38.51 O HETATM 1911 O HOH 59 77.221 -4.186 -5.142 1.00 50.05 O HETATM 1912 O HOH 60 64.572 6.764 -3.298 1.00 36.66 O HETATM 1913 O HOH 61 76.850 23.699 4.798 1.00 51.22 O HETATM 1914 O HOH 62 69.133 17.165 -15.986 1.00 48.42 O HETATM 1915 O HOH 63 82.428 18.456 5.928 1.00 50.27 O HETATM 1916 O HOH 64 87.668 8.849 4.043 1.00 44.24 O HETATM 1917 O HOH 65 78.184 19.340 1.989 1.00 51.25 O HETATM 1918 O HOH 66 73.748 19.144 -3.635 1.00 37.43 O HETATM 1919 O HOH 67 74.024 21.462 3.605 1.00 59.21 O HETATM 1920 O HOH 68 53.676 9.468 0.119 1.00 48.58 O HETATM 1921 O HOH 69 74.939 18.155 4.705 1.00 44.34 O HETATM 1922 O HOH 70 84.417 11.606 2.329 1.00 46.07 O HETATM 1923 O HOH 71 91.997 7.060 8.589 1.00 48.36 O HETATM 1924 C MOL A 72 73.048 21.537 10.618 1.00 0.18 C HETATM 1925 O MOL A 72 71.833 21.688 10.819 1.00 -0.40 O HETATM 1926 CH3 MOL A 72 74.116 22.066 11.501 1.00 0.03 C HETATM 1927 H1 MOL A 72 75.099 21.790 11.093 1.00 0.05 H HETATM 1928 H2 MOL A 72 74.004 21.638 12.508 1.00 0.05 H HETATM 1929 H3 MOL A 72 74.036 23.162 11.557 1.00 0.05 H HETATM 1930 N MOL A 72 73.661 20.793 9.655 1.00 -0.26 N HETATM 1931 CA MOL A 72 72.895 20.217 8.657 1.00 0.16 C HETATM 1932 C1 MOL A 72 72.548 18.755 9.057 1.00 0.21 C HETATM 1933 O1 MOL A 72 73.346 17.774 9.246 1.00 -0.39 O HETATM 1934 N1 MOL A 72 71.388 18.443 9.169 1.00 -0.26 N HETATM 1935 CA1 MOL A 72 70.931 17.112 9.418 1.00 0.13 C HETATM 1936 C2 MOL A 72 70.006 16.417 8.472 1.00 0.20 C HETATM 1937 O2 MOL A 72 68.750 16.567 8.262 1.00 -0.39 O HETATM 1938 N2 MOL A 72 70.530 15.664 7.824 1.00 -0.28 N HETATM 1939 CA2 MOL A 72 69.741 15.071 6.764 1.00 0.08 C HETATM 1940 C3 MOL A 72 69.084 13.703 6.888 1.00 -0.01 C HETATM 1941 N3 MOL A 72 68.580 13.343 8.199 1.00 0.25 N HETATM 1942 CA3 MOL A 72 67.483 12.365 8.292 1.00 0.07 C HETATM 1943 C4 MOL A 72 66.474 12.506 7.244 1.00 0.23 C HETATM 1944 O3 MOL A 72 65.794 13.535 6.825 1.00 -0.39 O HETATM 1945 N4 MOL A 72 66.098 11.490 6.714 1.00 -0.26 N HETATM 1946 CA4 MOL A 72 64.977 11.483 5.751 1.00 0.13 C HETATM 1947 C5 MOL A 72 64.034 10.265 5.925 1.00 0.20 C HETATM 1948 O4 MOL A 72 64.466 8.963 5.958 1.00 -0.39 O HETATM 1949 N5 MOL A 72 62.798 10.341 5.777 1.00 -0.26 N HETATM 1950 CA5 MOL A 72 61.864 9.101 5.697 1.00 0.13 C HETATM 1951 C6 MOL A 72 60.879 9.262 4.622 1.00 0.20 C HETATM 1952 O5 MOL A 72 60.587 10.420 4.316 1.00 -0.39 O HETATM 1953 N6 MOL A 72 60.318 8.286 3.829 1.00 -0.30 N HETATM 1954 H68 MOL A 72 59.652 8.535 3.126 1.00 0.18 H HETATM 1955 H69 MOL A 72 60.577 7.328 3.956 1.00 0.18 H HETATM 1956 CB5 MOL A 72 61.211 9.207 7.025 1.00 -0.01 C HETATM 1957 CG5 MOL A 72 62.030 8.727 8.169 1.00 -0.02 C HETATM 1958 CD4 MOL A 72 60.908 8.636 9.121 1.00 0.06 C HETATM 1959 NE MOL A 72 61.608 8.273 10.407 1.00 -0.27 N HETATM 1960 CZ MOL A 72 61.102 8.281 11.637 1.00 0.29 C HETATM 1961 NH1 MOL A 72 59.870 8.680 11.912 1.00 -0.28 N HETATM 1962 H64 MOL A 72 59.529 8.665 12.884 1.00 0.26 H HETATM 1963 H65 MOL A 72 59.253 9.005 11.154 1.00 0.26 H HETATM 1964 NH2 MOL A 72 61.889 7.881 12.645 1.00 -0.28 N HETATM 1965 H66 MOL A 72 62.851 7.567 12.454 1.00 0.26 H HETATM 1966 H67 MOL A 72 61.532 7.888 13.611 1.00 0.26 H HETATM 1967 H63 MOL A 72 62.593 7.985 10.323 1.00 0.26 H HETATM 1968 H61 MOL A 72 60.194 7.855 8.822 1.00 0.07 H HETATM 1969 H62 MOL A 72 60.383 9.598 9.211 1.00 0.07 H HETATM 1970 H59 MOL A 72 62.795 9.453 8.480 1.00 0.03 H HETATM 1971 H60 MOL A 72 62.505 7.754 7.975 1.00 0.03 H HETATM 1972 H57 MOL A 72 60.284 8.616 6.997 1.00 0.03 H HETATM 1973 H58 MOL A 72 60.966 10.265 7.201 1.00 0.03 H HETATM 1974 H56 MOL A 72 62.419 8.160 5.571 1.00 0.08 H HETATM 1975 H55 MOL A 72 62.385 11.249 5.706 1.00 0.19 H HETATM 1976 CB4 MOL A 72 65.403 11.861 4.306 1.00 0.00 C HETATM 1977 CG4 MOL A 72 64.322 11.795 3.258 1.00 0.04 C HETATM 1978 CD3 MOL A 72 64.108 10.454 2.716 1.00 0.17 C HETATM 1979 OE1 MOL A 72 64.821 9.574 2.877 1.00 -0.40 O HETATM 1980 NE2 MOL A 72 62.963 10.281 2.058 1.00 -0.30 N HETATM 1981 H53 MOL A 72 62.746 9.390 1.658 1.00 0.18 H HETATM 1982 H54 MOL A 72 62.321 11.042 1.964 1.00 0.18 H HETATM 1983 H51 MOL A 72 64.600 12.464 2.430 1.00 0.05 H HETATM 1984 H52 MOL A 72 63.380 12.142 3.709 1.00 0.05 H HETATM 1985 H49 MOL A 72 66.208 11.175 4.003 1.00 0.03 H HETATM 1986 H50 MOL A 72 65.788 12.891 4.328 1.00 0.03 H HETATM 1987 H48 MOL A 72 64.352 12.334 6.060 1.00 0.08 H HETATM 1988 H47 MOL A 72 66.557 10.629 6.932 1.00 0.19 H HETATM 1989 CB3 MOL A 72 66.919 12.449 9.646 1.00 0.01 C HETATM 1990 CG3 MOL A 72 66.133 11.212 9.998 1.00 -0.05 C HETATM 1991 CD2 MOL A 72 64.836 11.721 10.446 1.00 -0.06 C HETATM 1992 CE1 MOL A 72 65.029 12.634 11.645 1.00 -0.07 C HETATM 1993 H44 MOL A 72 64.052 13.014 11.978 1.00 0.02 H HETATM 1994 H45 MOL A 72 65.674 13.479 11.362 1.00 0.02 H HETATM 1995 H46 MOL A 72 65.501 12.070 12.463 1.00 0.02 H HETATM 1996 H42 MOL A 72 64.190 10.877 10.730 1.00 0.03 H HETATM 1997 H43 MOL A 72 64.363 12.286 9.629 1.00 0.03 H HETATM 1998 H40 MOL A 72 66.630 10.651 10.803 1.00 0.03 H HETATM 1999 H41 MOL A 72 66.014 10.563 9.118 1.00 0.03 H HETATM 2000 H38 MOL A 72 66.253 13.323 9.702 1.00 0.03 H HETATM 2001 H39 MOL A 72 67.740 12.567 10.368 1.00 0.03 H HETATM 2002 H37 MOL A 72 67.921 11.363 8.173 1.00 0.11 H HETATM 2003 H35 MOL A 72 68.258 14.192 8.636 1.00 0.20 H HETATM 2004 H36 MOL A 72 69.356 12.969 8.723 1.00 0.20 H HETATM 2005 H24 MOL A 72 69.829 12.947 6.597 1.00 0.08 H HETATM 2006 H25 MOL A 72 68.238 13.674 6.185 1.00 0.08 H HETATM 2007 CB2 MOL A 72 70.312 15.174 5.389 1.00 -0.02 C HETATM 2008 CG MOL A 72 71.118 16.415 5.141 1.00 -0.05 C HETATM 2009 CD MOL A 72 70.601 17.505 4.364 1.00 -0.06 C HETATM 2010 CE MOL A 72 69.326 17.230 3.595 1.00 -0.07 C HETATM 2011 H32 MOL A 72 69.029 18.133 3.042 1.00 0.02 H HETATM 2012 H33 MOL A 72 68.527 16.952 4.298 1.00 0.02 H HETATM 2013 H34 MOL A 72 69.495 16.405 2.887 1.00 0.02 H HETATM 2014 H30 MOL A 72 71.374 17.797 3.638 1.00 0.03 H HETATM 2015 H31 MOL A 72 70.406 18.343 5.049 1.00 0.03 H HETATM 2016 H28 MOL A 72 72.042 16.089 4.641 1.00 0.03 H HETATM 2017 H29 MOL A 72 71.362 16.829 6.131 1.00 0.03 H HETATM 2018 H26 MOL A 72 69.480 15.155 4.669 1.00 0.03 H HETATM 2019 H27 MOL A 72 70.962 14.303 5.221 1.00 0.03 H HETATM 2020 H23 MOL A 72 68.876 15.750 6.742 1.00 0.06 H HETATM 2021 H22 MOL A 72 71.488 15.417 7.971 1.00 0.19 H HETATM 2022 CB1 MOL A 72 70.290 17.135 10.804 1.00 -0.00 C HETATM 2023 CG1 MOL A 72 70.815 18.076 11.924 1.00 -0.05 C HETATM 2024 CD1 MOL A 72 72.310 17.833 12.325 1.00 -0.06 C HETATM 2025 H19 MOL A 72 72.596 18.538 13.119 1.00 0.02 H HETATM 2026 H20 MOL A 72 72.955 17.988 11.447 1.00 0.02 H HETATM 2027 H21 MOL A 72 72.429 16.802 12.690 1.00 0.02 H HETATM 2028 H14 MOL A 72 70.191 17.929 12.818 1.00 0.03 H HETATM 2029 H15 MOL A 72 70.717 19.114 11.575 1.00 0.03 H HETATM 2030 CG21 MOL A 72 69.927 15.801 11.271 1.00 -0.06 C HETATM 2031 H16 MOL A 72 69.567 15.201 10.422 1.00 0.02 H HETATM 2032 H17 MOL A 72 69.132 15.881 12.027 1.00 0.02 H HETATM 2033 H18 MOL A 72 70.808 15.316 11.716 1.00 0.02 H HETATM 2034 H13 MOL A 72 69.314 17.591 10.584 1.00 0.03 H HETATM 2035 H12 MOL A 72 71.834 16.485 9.460 1.00 0.08 H HETATM 2036 H11 MOL A 72 70.700 19.164 9.082 1.00 0.19 H HETATM 2037 CB MOL A 72 73.576 20.334 7.227 1.00 0.09 C HETATM 2038 OG1 MOL A 72 73.765 21.684 6.768 1.00 -0.39 O HETATM 2039 H7 MOL A 72 74.175 21.672 5.911 1.00 0.21 H HETATM 2040 CG2 MOL A 72 72.588 19.746 6.287 1.00 -0.03 C HETATM 2041 H8 MOL A 72 72.986 19.788 5.263 1.00 0.03 H HETATM 2042 H9 MOL A 72 71.648 20.316 6.339 1.00 0.03 H HETATM 2043 H10 MOL A 72 72.397 18.698 6.563 1.00 0.03 H HETATM 2044 H6 MOL A 72 74.533 19.792 7.216 1.00 0.06 H HETATM 2045 H5 MOL A 72 71.949 20.775 8.603 1.00 0.08 H HETATM 2046 H4 MOL A 72 74.653 20.665 9.669 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 927 928 933 934 935 CONECT 934 927 CONECT 935 927 CONECT 1924 1925 1926 1930 CONECT 1925 1924 CONECT 1926 1924 1927 1928 1929 CONECT 1927 1926 CONECT 1928 1926 CONECT 1929 1926 CONECT 1930 1924 1931 2046 CONECT 1931 1930 1932 2037 2045 CONECT 1932 1931 1933 1934 CONECT 1933 1932 CONECT 1934 1932 1935 2036 CONECT 1935 1934 1936 2022 2035 CONECT 1936 1935 1937 1938 CONECT 1937 1936 CONECT 1938 1936 1939 2021 CONECT 1939 1938 1940 2007 2020 CONECT 1940 1939 1941 2005 2006 CONECT 1941 1940 1942 2003 2004 CONECT 1942 1941 1943 1989 2002 CONECT 1943 1942 1944 1945 CONECT 1944 1943 CONECT 1945 1943 1946 1988 CONECT 1946 1945 1947 1976 1987 CONECT 1947 1946 1948 1949 CONECT 1948 1947 CONECT 1949 1947 1950 1975 CONECT 1950 1949 1951 1956 1974 CONECT 1951 1950 1952 1953 CONECT 1952 1951 CONECT 1953 1951 1954 1955 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1950 1957 1972 1973 CONECT 1957 1956 1958 1970 1971 CONECT 1958 1957 1959 1968 1969 CONECT 1959 1958 1960 1967 CONECT 1960 1959 1961 1964 CONECT 1961 1960 1962 1963 CONECT 1962 1961 CONECT 1963 1961 CONECT 1964 1960 1965 1966 CONECT 1965 1964 CONECT 1966 1964 CONECT 1967 1959 CONECT 1968 1958 CONECT 1969 1958 CONECT 1970 1957 CONECT 1971 1957 CONECT 1972 1956 CONECT 1973 1956 CONECT 1974 1950 CONECT 1975 1949 CONECT 1976 1946 1977 1985 1986 CONECT 1977 1976 1978 1983 1984 CONECT 1978 1977 1979 1980 CONECT 1979 1978 CONECT 1980 1978 1981 1982 CONECT 1981 1980 CONECT 1982 1980 CONECT 1983 1977 CONECT 1984 1977 CONECT 1985 1976 CONECT 1986 1976 CONECT 1987 1946 CONECT 1988 1945 CONECT 1989 1942 1990 2000 2001 CONECT 1990 1989 1991 1998 1999 CONECT 1991 1990 1992 1996 1997 CONECT 1992 1991 1993 1994 1995 CONECT 1993 1992 CONECT 1994 1992 CONECT 1995 1992 CONECT 1996 1991 CONECT 1997 1991 CONECT 1998 1990 CONECT 1999 1990 CONECT 2000 1989 CONECT 2001 1989 CONECT 2002 1942 CONECT 2003 1941 CONECT 2004 1941 CONECT 2005 1940 CONECT 2006 1940 CONECT 2007 1939 2008 2018 2019 CONECT 2008 2007 2009 2016 2017 CONECT 2009 2008 2010 2014 2015 CONECT 2010 2009 2011 2012 2013 CONECT 2011 2010 CONECT 2012 2010 CONECT 2013 2010 CONECT 2014 2009 CONECT 2015 2009 CONECT 2016 2008 CONECT 2017 2008 CONECT 2018 2007 CONECT 2019 2007 CONECT 2020 1939 CONECT 2021 1938 CONECT 2022 1935 2023 2030 2034 CONECT 2023 2022 2024 2028 2029 CONECT 2024 2023 2025 2026 2027 CONECT 2025 2024 CONECT 2026 2024 CONECT 2027 2024 CONECT 2028 2023 CONECT 2029 2023 CONECT 2030 2022 2031 2032 2033 CONECT 2031 2030 CONECT 2032 2030 CONECT 2033 2030 CONECT 2034 2022 CONECT 2035 1935 CONECT 2036 1934 CONECT 2037 1931 2038 2040 2044 CONECT 2038 2037 2039 CONECT 2039 2038 CONECT 2040 2037 2041 2042 2043 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2040 CONECT 2044 2037 CONECT 2045 1931 CONECT 2046 1930 MASTER 0 0 0 0 0 0 0 0 2044 2 129 16 END
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Structure:
Ligand 2D
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Related entries of code: 6o57
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Protein Sequence Similarity
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PDBbind
99aa, >6O5X_1|Chains... at 100%
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PDBbind
99aa, >6O5A_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
2aoc
RCSB PDB
PDBbind
2NC
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RCSB PDB
PDBbind
2NC
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PDBbind
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PDBbind
2NC
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2NC
3hau
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2NC
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3hbo
RCSB PDB
PDBbind
2NC
3hdk
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2NC
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PDBbind
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PDBbind
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PDBbind
2NC
Entry Information
PDB ID
6o57
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 protease PR-S17
Ligand Name
2NC
EC.Number
E.C.-.-.-.-
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Ki=514nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Omega Vol. 4: pp. 8707-8719
Ligand Properties
Formula
C
3
5
H
6
9
N
1
1
O
8
Molecular Weight
771.991
Exact Mass
771.533
No. of atoms
123
No. of bonds
122
Polar Surface Area
334.53
LOGP Value
1.18 (
Computed with XLOGP3
)
-0.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 0
Canonical SMILES
CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)CCC(=O)N)[NH2+]C[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)C)CCCC
InChI String
InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+2/t20-,21+,23-,24-,25-,26-,28-,29-/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):
I7BFC3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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