Browse entries in the PDBbind-CN Database
HEADER 6BJO_COMPLEX COMPND 6BJO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 VAL PRO GLY LYS VAL THR LEU GLN LYS ASP ALA GLN ASN SEQRES 2 A 86 LEU ILE GLY ILE SER ILE GLY GLY GLY ALA GLN TYR CYS SEQRES 3 A 86 PRO CYS LEU TYR ILE VAL GLN VAL PHE ASP ASN THR PRO SEQRES 4 A 86 ALA ALA LEU ASP GLY THR VAL ALA ALA GLY ASP GLU ILE SEQRES 5 A 86 THR GLY VAL ASN GLY ARG SER ILE LYS GLY LYS THR LYS SEQRES 6 A 86 VAL GLU VAL ALA LYS MET ILE GLN GLU VAL LYS GLY GLU SEQRES 7 A 86 VAL THR ILE HIS TYR ASN LYS LEU SEQRES 1 B 23 VAL PRO GLY LYS VAL THR LEU GLN LYS ASP ALA GLN ASN SEQRES 2 B 23 LEU ILE GLY ILE SER ILE GLY GLY GLY ALA SEQRES 1 B 62 TYR CYS PRO CYS LEU TYR ILE VAL GLN VAL PHE ASP ASN SEQRES 2 B 62 THR PRO ALA ALA LEU ASP GLY THR VAL ALA ALA GLY ASP SEQRES 3 B 62 GLU ILE THR GLY VAL ASN GLY ARG SER ILE LYS GLY LYS SEQRES 4 B 62 THR LYS VAL GLU VAL ALA LYS MET ILE GLN GLU VAL LYS SEQRES 5 B 62 GLY GLU VAL THR ILE HIS TYR ASN LYS LEU HET DUY A 332 78 SSBOND 1 CYS A 46 CYS B 44 SSBOND 2 CYS A 44 CYS B 46 ATOM 1 N VAL A 19 0.945 19.892 5.224 1.00 35.71 N ATOM 2 CA VAL A 19 2.273 20.412 4.718 1.00 35.07 C ATOM 3 C VAL A 19 2.073 21.937 4.459 1.00 30.74 C ATOM 4 O VAL A 19 1.141 22.282 3.663 1.00 27.64 O ATOM 5 CB VAL A 19 2.804 19.733 3.386 1.00 37.58 C ATOM 6 CG1 VAL A 19 3.291 18.289 3.613 1.00 34.39 C ATOM 7 CG2 VAL A 19 1.857 19.815 2.219 1.00 37.92 C ATOM 8 HN3 VAL A 19 0.213 20.057 4.504 1.00 0.00 H ATOM 9 HN2 VAL A 19 0.690 20.391 6.100 1.00 0.00 H ATOM 10 HN1 VAL A 19 1.023 18.872 5.414 1.00 0.00 H ATOM 11 N PRO A 20 2.855 22.771 5.172 1.00 28.87 N ATOM 12 CA PRO A 20 2.617 24.160 5.172 1.00 29.68 C ATOM 13 C PRO A 20 3.349 24.859 3.982 1.00 25.47 C ATOM 14 O PRO A 20 4.493 24.358 3.433 1.00 24.54 O ATOM 15 CB PRO A 20 3.148 24.565 6.547 1.00 29.10 C ATOM 16 CG PRO A 20 4.375 23.712 6.701 1.00 26.94 C ATOM 17 CD PRO A 20 4.108 22.454 5.938 1.00 32.40 C ATOM 18 N GLY A 21 2.841 26.060 3.664 1.00 20.92 N ATOM 19 CA GLY A 21 3.350 26.792 2.556 1.00 19.54 C ATOM 20 C GLY A 21 2.971 28.236 2.571 1.00 16.91 C ATOM 21 O GLY A 21 2.141 28.635 3.378 1.00 14.61 O ATOM 22 H GLY A 21 2.068 26.459 4.233 1.00 0.00 H ATOM 23 N LYS A 22 3.530 28.976 1.648 1.00 22.10 N ATOM 24 CA LYS A 22 3.144 30.390 1.438 1.00 22.63 C ATOM 25 C LYS A 22 3.488 30.732 0.002 1.00 17.75 C ATOM 26 O LYS A 22 4.402 30.129 -0.695 1.00 18.82 O ATOM 27 CB LYS A 22 3.646 31.381 2.498 1.00 30.65 C ATOM 28 CG LYS A 22 5.157 31.428 2.576 1.00 31.01 C ATOM 29 CD LYS A 22 5.809 31.899 3.887 1.00 35.39 C ATOM 30 CE LYS A 22 7.310 31.698 3.669 1.00 30.80 C ATOM 31 NZ LYS A 22 7.963 32.924 2.941 1.00 28.93 N ATOM 32 HZ1 LYS A 22 7.513 33.055 2.013 1.00 0.00 H ATOM 33 HZ2 LYS A 22 7.828 33.780 3.517 1.00 0.00 H ATOM 34 HZ3 LYS A 22 8.980 32.748 2.813 1.00 0.00 H ATOM 35 H LYS A 22 4.267 28.559 1.044 1.00 0.00 H ATOM 36 N VAL A 23 2.597 31.478 -0.628 1.00 19.13 N ATOM 37 CA VAL A 23 2.786 32.013 -1.973 1.00 19.03 C ATOM 38 C VAL A 23 2.453 33.457 -2.007 1.00 20.90 C ATOM 39 O VAL A 23 1.465 33.829 -1.381 1.00 15.54 O ATOM 40 CB VAL A 23 1.971 31.238 -2.991 1.00 20.33 C ATOM 41 CG1 VAL A 23 0.456 31.189 -2.724 1.00 17.94 C ATOM 42 CG2 VAL A 23 2.059 31.783 -4.428 1.00 20.11 C ATOM 43 H VAL A 23 1.708 31.697 -0.136 1.00 0.00 H ATOM 44 N THR A 24 3.259 34.237 -2.784 1.00 16.26 N ATOM 45 CA THR A 24 2.918 35.675 -2.963 1.00 20.40 C ATOM 46 C THR A 24 2.349 35.870 -4.384 1.00 15.33 C ATOM 47 O THR A 24 2.922 35.287 -5.465 1.00 17.25 O ATOM 48 CB THR A 24 4.203 36.482 -2.880 1.00 24.87 C ATOM 49 OG1 THR A 24 4.756 36.238 -1.549 1.00 18.63 O ATOM 50 CG2 THR A 24 4.022 37.989 -3.191 1.00 24.62 C ATOM 51 HG1 THR A 24 5.600 36.745 -1.445 1.00 0.00 H ATOM 52 H THR A 24 4.099 33.833 -3.244 1.00 0.00 H ATOM 53 N LEU A 25 1.136 36.302 -4.427 1.00 15.37 N ATOM 54 CA LEU A 25 0.323 36.437 -5.624 1.00 16.85 C ATOM 55 C LEU A 25 0.076 37.956 -6.007 1.00 22.23 C ATOM 56 O LEU A 25 -0.210 38.705 -5.160 1.00 18.02 O ATOM 57 CB LEU A 25 -1.017 35.747 -5.323 1.00 17.63 C ATOM 58 CG LEU A 25 -0.911 34.239 -5.360 1.00 17.08 C ATOM 59 CD1 LEU A 25 -2.174 33.725 -4.675 1.00 17.07 C ATOM 60 CD2 LEU A 25 -0.382 33.510 -6.622 1.00 17.98 C ATOM 61 H LEU A 25 0.700 36.579 -3.524 1.00 0.00 H ATOM 62 N GLN A 26 0.351 38.283 -7.261 1.00 23.49 N ATOM 63 CA GLN A 26 0.157 39.695 -7.722 1.00 21.56 C ATOM 64 C GLN A 26 -1.398 39.914 -7.902 1.00 19.87 C ATOM 65 O GLN A 26 -2.070 39.009 -8.381 1.00 27.50 O ATOM 66 CB GLN A 26 0.946 39.846 -9.011 1.00 22.90 C ATOM 67 CG GLN A 26 2.433 39.706 -8.916 1.00 27.15 C ATOM 68 CD GLN A 26 3.056 40.544 -7.898 1.00 32.06 C ATOM 69 OE1 GLN A 26 2.925 41.836 -7.942 1.00 28.17 O ATOM 70 NE2 GLN A 26 3.829 39.942 -7.056 1.00 32.03 N ATOM 71 HE22 GLN A 26 3.898 38.904 -7.063 1.00 0.00 H ATOM 72 HE21 GLN A 26 4.383 40.495 -6.371 1.00 0.00 H ATOM 73 H GLN A 26 0.701 37.561 -7.923 1.00 0.00 H ATOM 74 N LYS A 27 -1.947 41.034 -7.392 1.00 17.21 N ATOM 75 CA LYS A 27 -3.305 41.349 -7.636 1.00 16.17 C ATOM 76 C LYS A 27 -3.482 41.622 -9.117 1.00 18.30 C ATOM 77 O LYS A 27 -2.718 42.484 -9.727 1.00 18.32 O ATOM 78 CB LYS A 27 -3.799 42.598 -6.860 1.00 15.33 C ATOM 79 CG LYS A 27 -3.772 42.515 -5.367 1.00 13.30 C ATOM 80 CD LYS A 27 -4.854 41.457 -4.993 1.00 12.66 C ATOM 81 CE LYS A 27 -5.059 41.402 -3.534 1.00 13.48 C ATOM 82 NZ LYS A 27 -6.136 42.345 -3.058 1.00 13.47 N ATOM 83 HZ1 LYS A 27 -5.875 43.321 -3.306 1.00 0.00 H ATOM 84 HZ2 LYS A 27 -7.037 42.099 -3.515 1.00 0.00 H ATOM 85 HZ3 LYS A 27 -6.236 42.263 -2.026 1.00 0.00 H ATOM 86 H LYS A 27 -1.367 41.674 -6.813 1.00 0.00 H ATOM 87 N ASP A 28 -4.628 41.252 -9.673 1.00 20.77 N ATOM 88 CA ASP A 28 -4.941 41.817 -11.045 1.00 20.10 C ATOM 89 C ASP A 28 -5.403 43.292 -11.029 1.00 18.86 C ATOM 90 O ASP A 28 -5.427 44.024 -9.984 1.00 18.06 O ATOM 91 CB ASP A 28 -5.871 40.825 -11.772 1.00 23.51 C ATOM 92 CG ASP A 28 -7.293 40.814 -11.174 1.00 28.97 C ATOM 93 OD1 ASP A 28 -7.714 41.813 -10.479 1.00 32.12 O ATOM 94 OD2 ASP A 28 -7.834 39.741 -11.307 1.00 34.78 O ATOM 95 H ASP A 28 -5.282 40.604 -9.190 1.00 0.00 H ATOM 96 N ALA A 29 -5.867 43.717 -12.176 1.00 30.79 N ATOM 97 CA ALA A 29 -6.480 45.031 -12.404 1.00 26.52 C ATOM 98 C ALA A 29 -7.702 45.384 -11.625 1.00 25.02 C ATOM 99 O ALA A 29 -7.988 46.565 -11.416 1.00 25.97 O ATOM 100 CB ALA A 29 -6.882 45.144 -13.909 1.00 20.68 C ATOM 101 H ALA A 29 -5.796 43.073 -12.990 1.00 0.00 H ATOM 102 N GLN A 30 -8.469 44.369 -11.215 1.00 26.99 N ATOM 103 CA GLN A 30 -9.558 44.586 -10.265 1.00 26.50 C ATOM 104 C GLN A 30 -9.180 44.305 -8.804 1.00 21.10 C ATOM 105 O GLN A 30 -10.049 44.165 -7.995 1.00 27.79 O ATOM 106 CB GLN A 30 -10.859 43.845 -10.676 1.00 34.69 C ATOM 107 CG GLN A 30 -11.473 44.244 -12.011 1.00 35.09 C ATOM 108 CD GLN A 30 -10.747 43.647 -13.209 1.00 34.85 C ATOM 109 OE1 GLN A 30 -10.156 44.365 -14.007 1.00 36.33 O ATOM 110 NE2 GLN A 30 -10.603 42.342 -13.216 1.00 35.77 N ATOM 111 HE22 GLN A 30 -11.118 41.758 -12.526 1.00 0.00 H ATOM 112 HE21 GLN A 30 -9.974 41.892 -13.911 1.00 0.00 H ATOM 113 H GLN A 30 -8.288 43.411 -11.577 1.00 0.00 H ATOM 114 N ASN A 31 -7.899 44.303 -8.485 1.00 21.52 N ATOM 115 CA ASN A 31 -7.439 44.016 -7.125 1.00 18.96 C ATOM 116 C ASN A 31 -7.938 42.620 -6.650 1.00 20.18 C ATOM 117 O ASN A 31 -8.370 42.406 -5.514 1.00 25.95 O ATOM 118 CB ASN A 31 -7.941 45.082 -6.140 1.00 19.49 C ATOM 119 CG ASN A 31 -7.285 45.054 -4.809 1.00 17.10 C ATOM 120 OD1 ASN A 31 -6.119 44.658 -4.695 1.00 21.35 O ATOM 121 ND2 ASN A 31 -8.063 45.320 -3.765 1.00 18.25 N ATOM 122 HD22 ASN A 31 -9.038 45.651 -3.914 1.00 0.00 H ATOM 123 HD21 ASN A 31 -7.697 45.197 -2.799 1.00 0.00 H ATOM 124 H ASN A 31 -7.195 44.512 -9.222 1.00 0.00 H ATOM 125 N LEU A 32 -7.788 41.650 -7.479 1.00 17.69 N ATOM 126 CA LEU A 32 -8.277 40.315 -7.183 1.00 19.38 C ATOM 127 C LEU A 32 -7.110 39.381 -7.315 1.00 15.99 C ATOM 128 O LEU A 32 -6.361 39.587 -8.295 1.00 16.50 O ATOM 129 CB LEU A 32 -9.390 39.751 -8.195 1.00 20.29 C ATOM 130 CG LEU A 32 -10.700 40.522 -8.218 1.00 25.52 C ATOM 131 CD1 LEU A 32 -11.894 39.757 -8.801 1.00 31.77 C ATOM 132 CD2 LEU A 32 -11.081 40.837 -6.807 1.00 24.62 C ATOM 133 H LEU A 32 -7.305 41.825 -8.383 1.00 0.00 H ATOM 134 N ILE A 33 -7.012 38.351 -6.465 1.00 15.60 N ATOM 135 CA ILE A 33 -6.164 37.207 -6.829 1.00 18.80 C ATOM 136 C ILE A 33 -6.891 36.027 -7.334 1.00 18.08 C ATOM 137 O ILE A 33 -6.236 35.237 -8.033 1.00 20.91 O ATOM 138 CB ILE A 33 -5.368 36.702 -5.559 1.00 18.51 C ATOM 139 CG1 ILE A 33 -6.256 36.068 -4.393 1.00 21.33 C ATOM 140 CG2 ILE A 33 -4.393 37.754 -5.129 1.00 17.04 C ATOM 141 CD1 ILE A 33 -5.504 35.691 -3.117 1.00 22.78 C ATOM 142 H ILE A 33 -7.528 38.360 -5.562 1.00 0.00 H ATOM 143 N GLY A 34 -8.225 36.009 -7.344 1.00 17.93 N ATOM 144 CA GLY A 34 -9.069 35.100 -8.065 1.00 13.79 C ATOM 145 C GLY A 34 -9.521 33.900 -7.237 1.00 15.32 C ATOM 146 O GLY A 34 -9.349 32.768 -7.757 1.00 15.79 O ATOM 147 H GLY A 34 -8.704 36.730 -6.768 1.00 0.00 H ATOM 148 N ILE A 35 -9.881 34.081 -5.985 1.00 12.29 N ATOM 149 CA ILE A 35 -10.248 32.859 -5.203 1.00 12.88 C ATOM 150 C ILE A 35 -11.495 33.180 -4.437 1.00 13.99 C ATOM 151 O ILE A 35 -11.794 34.294 -4.025 1.00 17.56 O ATOM 152 CB ILE A 35 -9.148 32.303 -4.222 1.00 15.36 C ATOM 153 CG1 ILE A 35 -8.880 33.299 -3.072 1.00 15.27 C ATOM 154 CG2 ILE A 35 -7.881 31.815 -4.887 1.00 18.75 C ATOM 155 CD1 ILE A 35 -7.832 32.868 -1.961 1.00 19.46 C ATOM 156 H ILE A 35 -9.909 35.029 -5.558 1.00 0.00 H ATOM 157 N SER A 36 -12.160 32.091 -4.051 1.00 14.46 N ATOM 158 CA SER A 36 -13.361 32.132 -3.213 1.00 16.96 C ATOM 159 C SER A 36 -13.104 31.289 -1.947 1.00 18.82 C ATOM 160 O SER A 36 -12.598 30.171 -2.045 1.00 17.52 O ATOM 161 CB SER A 36 -14.572 31.595 -3.975 1.00 20.38 C ATOM 162 OG SER A 36 -15.765 32.228 -3.548 1.00 27.41 O ATOM 163 HG SER A 36 -15.899 32.060 -2.581 1.00 0.00 H ATOM 164 H SER A 36 -11.808 31.163 -4.361 1.00 0.00 H ATOM 165 N ILE A 37 -13.446 31.816 -0.769 1.00 15.44 N ATOM 166 CA ILE A 37 -13.220 31.109 0.484 1.00 19.11 C ATOM 167 C ILE A 37 -14.437 30.504 1.258 1.00 20.31 C ATOM 168 O ILE A 37 -15.627 30.914 0.927 1.00 26.03 O ATOM 169 CB ILE A 37 -12.380 31.885 1.374 1.00 17.76 C ATOM 170 CG1 ILE A 37 -13.135 33.159 1.877 1.00 18.61 C ATOM 171 CG2 ILE A 37 -11.037 32.250 0.762 1.00 19.00 C ATOM 172 CD1 ILE A 37 -12.322 33.990 2.789 1.00 19.35 C ATOM 173 H ILE A 37 -13.886 32.758 -0.745 1.00 0.00 H ATOM 174 N GLY A 38 -14.100 29.593 2.082 1.00 21.45 N ATOM 175 CA GLY A 38 -14.988 28.654 2.782 1.00 24.45 C ATOM 176 C GLY A 38 -14.746 28.640 4.273 1.00 27.49 C ATOM 177 O GLY A 38 -13.600 28.733 4.637 1.00 22.48 O ATOM 178 H GLY A 38 -13.083 29.504 2.282 1.00 0.00 H ATOM 179 N GLY A 39 -15.650 28.300 5.151 1.00 22.45 N ATOM 180 CA GLY A 39 -15.249 28.161 6.479 1.00 23.25 C ATOM 181 C GLY A 39 -15.468 29.409 7.335 1.00 22.51 C ATOM 182 O GLY A 39 -16.326 30.264 7.097 1.00 18.28 O ATOM 183 H GLY A 39 -16.638 28.138 4.869 1.00 0.00 H ATOM 184 N GLY A 40 -14.663 29.435 8.411 1.00 32.60 N ATOM 185 CA GLY A 40 -14.743 30.473 9.414 1.00 31.96 C ATOM 186 C GLY A 40 -16.166 30.878 9.763 1.00 27.94 C ATOM 187 O GLY A 40 -16.575 32.095 9.774 1.00 25.64 O ATOM 188 H GLY A 40 -13.957 28.681 8.526 1.00 0.00 H ATOM 189 N ALA A 41 -16.969 29.842 10.154 1.00 33.27 N ATOM 190 CA ALA A 41 -18.212 30.042 10.928 1.00 39.00 C ATOM 191 C ALA A 41 -17.913 29.491 12.363 1.00 34.94 C ATOM 192 O ALA A 41 -16.805 28.981 12.666 1.00 34.13 O ATOM 193 CB ALA A 41 -19.443 29.349 10.341 1.00 36.90 C ATOM 194 H ALA A 41 -16.693 28.873 9.896 1.00 0.00 H ATOM 195 N GLN A 42 -18.875 29.683 13.237 1.00 32.76 N ATOM 196 CA GLN A 42 -18.815 29.021 14.542 1.00 37.11 C ATOM 197 C GLN A 42 -19.105 27.532 14.296 1.00 45.98 C ATOM 198 O GLN A 42 -19.953 27.133 13.509 1.00 41.26 O ATOM 199 CB GLN A 42 -19.777 29.699 15.495 1.00 32.96 C ATOM 200 H GLN A 42 -19.676 30.303 13.003 1.00 0.00 H ATOM 201 N TYR A 43 -18.299 26.722 14.955 1.00 43.65 N ATOM 202 CA TYR A 43 -18.334 25.256 14.881 1.00 44.83 C ATOM 203 C TYR A 43 -17.523 24.670 13.669 1.00 35.15 C ATOM 204 O TYR A 43 -17.077 23.494 13.690 1.00 34.41 O ATOM 205 CB TYR A 43 -19.721 24.674 15.297 1.00 58.64 C ATOM 206 CG TYR A 43 -20.060 24.986 16.862 1.00 42.62 C ATOM 207 CD1 TYR A 43 -19.388 24.279 17.925 1.00 67.43 C ATOM 208 CD2 TYR A 43 -21.035 25.975 17.239 1.00 71.31 C ATOM 209 CE1 TYR A 43 -19.670 24.542 19.278 1.00 72.62 C ATOM 210 CE2 TYR A 43 -21.319 26.238 18.596 1.00 69.43 C ATOM 211 CZ TYR A 43 -20.637 25.517 19.605 1.00 74.44 C ATOM 212 OH TYR A 43 -20.900 25.749 20.934 1.00 86.55 O ATOM 213 HH TYR A 43 -20.333 25.157 21.490 1.00 0.00 H ATOM 214 H TYR A 43 -17.584 27.155 15.574 1.00 0.00 H ATOM 215 N CYS A 44 -17.010 25.606 12.860 1.00 31.48 N ATOM 216 CA CYS A 44 -16.282 25.388 11.722 1.00 25.93 C ATOM 217 C CYS A 44 -15.290 26.542 11.569 1.00 24.38 C ATOM 218 O CYS A 44 -15.493 27.384 10.740 1.00 20.41 O ATOM 219 CB CYS A 44 -17.232 25.285 10.464 1.00 25.24 C ATOM 220 SG CYS A 44 -18.485 23.956 10.632 1.00 29.88 S ATOM 221 H CYS A 44 -17.182 26.597 13.123 1.00 0.00 H ATOM 222 N PRO A 45 -14.279 26.545 12.423 1.00 23.25 N ATOM 223 CA PRO A 45 -13.307 27.570 12.369 1.00 22.73 C ATOM 224 C PRO A 45 -12.394 27.741 11.231 1.00 21.49 C ATOM 225 O PRO A 45 -12.000 28.894 10.842 1.00 23.30 O ATOM 226 CB PRO A 45 -12.409 27.259 13.643 1.00 20.72 C ATOM 227 CG PRO A 45 -12.809 26.038 14.181 1.00 20.10 C ATOM 228 CD PRO A 45 -14.179 25.791 13.729 1.00 18.26 C ATOM 229 N CYS A 46 -11.890 26.625 10.711 1.00 28.21 N ATOM 230 CA CYS A 46 -10.922 26.534 9.580 1.00 19.98 C ATOM 231 C CYS A 46 -11.421 27.224 8.332 1.00 22.03 C ATOM 232 O CYS A 46 -12.701 27.093 8.024 1.00 15.20 O ATOM 233 CB CYS A 46 -10.485 25.032 9.391 1.00 24.45 C ATOM 234 SG CYS A 46 -9.520 24.414 10.852 1.00 23.37 S ATOM 235 H CYS A 46 -12.202 25.728 11.135 1.00 0.00 H ATOM 236 N LEU A 47 -10.485 27.956 7.643 1.00 17.45 N ATOM 237 CA LEU A 47 -10.777 28.626 6.382 1.00 16.10 C ATOM 238 C LEU A 47 -10.176 27.869 5.244 1.00 16.96 C ATOM 239 O LEU A 47 -9.014 27.389 5.377 1.00 15.99 O ATOM 240 CB LEU A 47 -10.292 30.149 6.368 1.00 19.35 C ATOM 241 CG LEU A 47 -11.099 31.239 7.199 1.00 20.79 C ATOM 242 CD1 LEU A 47 -12.527 31.335 6.612 1.00 24.99 C ATOM 243 CD2 LEU A 47 -11.068 30.966 8.658 1.00 18.64 C ATOM 244 H LEU A 47 -9.526 28.036 8.038 1.00 0.00 H ATOM 245 N TYR A 48 -10.834 27.758 4.100 1.00 15.68 N ATOM 246 CA TYR A 48 -10.315 27.130 2.931 1.00 18.21 C ATOM 247 C TYR A 48 -10.459 27.892 1.644 1.00 15.03 C ATOM 248 O TYR A 48 -11.363 28.700 1.525 1.00 11.94 O ATOM 249 CB TYR A 48 -10.808 25.766 2.804 1.00 16.86 C ATOM 250 CG TYR A 48 -10.716 24.820 3.979 1.00 19.93 C ATOM 251 CD1 TYR A 48 -11.792 24.733 4.971 1.00 22.54 C ATOM 252 CD2 TYR A 48 -9.556 23.962 4.139 1.00 18.32 C ATOM 253 CE1 TYR A 48 -11.660 23.732 5.957 1.00 25.52 C ATOM 254 CE2 TYR A 48 -9.479 22.963 5.141 1.00 23.71 C ATOM 255 CZ TYR A 48 -10.493 22.902 6.009 1.00 23.10 C ATOM 256 OH TYR A 48 -10.344 21.952 6.973 1.00 22.51 O ATOM 257 HH TYR A 48 -9.524 22.139 7.495 1.00 0.00 H ATOM 258 H TYR A 48 -11.794 28.156 4.052 1.00 0.00 H ATOM 259 N ILE A 49 -9.747 27.459 0.634 1.00 14.64 N ATOM 260 CA ILE A 49 -9.960 27.963 -0.764 1.00 15.49 C ATOM 261 C ILE A 49 -11.059 27.034 -1.295 1.00 15.06 C ATOM 262 O ILE A 49 -10.751 25.769 -1.225 1.00 17.97 O ATOM 263 CB ILE A 49 -8.629 27.960 -1.595 1.00 20.48 C ATOM 264 CG1 ILE A 49 -7.542 28.801 -0.899 1.00 20.16 C ATOM 265 CG2 ILE A 49 -8.870 28.407 -3.003 1.00 19.59 C ATOM 266 CD1 ILE A 49 -6.113 28.717 -1.409 1.00 24.33 C ATOM 267 H ILE A 49 -9.011 26.744 0.806 1.00 0.00 H ATOM 268 N VAL A 50 -12.164 27.578 -1.722 1.00 14.83 N ATOM 269 CA VAL A 50 -13.317 26.855 -2.285 1.00 15.47 C ATOM 270 C VAL A 50 -13.179 26.790 -3.826 1.00 15.56 C ATOM 271 O VAL A 50 -13.259 25.711 -4.341 1.00 17.42 O ATOM 272 CB VAL A 50 -14.615 27.484 -1.908 1.00 20.42 C ATOM 273 CG1 VAL A 50 -15.762 27.073 -2.824 1.00 16.70 C ATOM 274 CG2 VAL A 50 -14.882 27.196 -0.418 1.00 20.30 C ATOM 275 H VAL A 50 -12.238 28.613 -1.660 1.00 0.00 H ATOM 276 N GLN A 51 -12.819 27.886 -4.464 1.00 18.40 N ATOM 277 CA GLN A 51 -12.687 27.898 -5.879 1.00 16.13 C ATOM 278 C GLN A 51 -11.537 28.835 -6.328 1.00 15.05 C ATOM 279 O GLN A 51 -11.386 29.883 -5.749 1.00 15.60 O ATOM 280 CB GLN A 51 -14.023 28.467 -6.503 1.00 17.93 C ATOM 281 CG GLN A 51 -13.998 28.507 -7.992 1.00 17.79 C ATOM 282 CD GLN A 51 -15.344 28.698 -8.547 1.00 21.78 C ATOM 283 OE1 GLN A 51 -16.213 28.998 -7.780 1.00 23.25 O ATOM 284 NE2 GLN A 51 -15.553 28.613 -9.831 1.00 20.94 N ATOM 285 HE22 GLN A 51 -14.774 28.350 -10.468 1.00 0.00 H ATOM 286 HE21 GLN A 51 -16.498 28.809 -10.218 1.00 0.00 H ATOM 287 H GLN A 51 -12.629 28.754 -3.924 1.00 0.00 H ATOM 288 N VAL A 52 -10.842 28.390 -7.320 1.00 12.75 N ATOM 289 CA VAL A 52 -9.853 29.178 -8.056 1.00 13.66 C ATOM 290 C VAL A 52 -10.384 29.432 -9.432 1.00 18.78 C ATOM 291 O VAL A 52 -10.729 28.549 -10.137 1.00 19.38 O ATOM 292 CB VAL A 52 -8.446 28.470 -8.113 1.00 14.87 C ATOM 293 CG1 VAL A 52 -7.373 29.443 -8.470 1.00 18.16 C ATOM 294 CG2 VAL A 52 -7.988 27.884 -6.719 1.00 17.63 C ATOM 295 H VAL A 52 -10.995 27.405 -7.616 1.00 0.00 H ATOM 296 N PHE A 53 -10.497 30.664 -9.784 1.00 19.25 N ATOM 297 CA PHE A 53 -11.267 31.074 -10.971 1.00 17.56 C ATOM 298 C PHE A 53 -10.347 31.198 -12.155 1.00 18.66 C ATOM 299 O PHE A 53 -9.225 31.733 -12.028 1.00 17.75 O ATOM 300 CB PHE A 53 -11.897 32.479 -10.797 1.00 16.76 C ATOM 301 CG PHE A 53 -12.982 32.520 -9.876 1.00 16.36 C ATOM 302 CD1 PHE A 53 -12.747 32.528 -8.491 1.00 20.50 C ATOM 303 CD2 PHE A 53 -14.303 32.551 -10.326 1.00 22.60 C ATOM 304 CE1 PHE A 53 -13.825 32.469 -7.632 1.00 23.06 C ATOM 305 CE2 PHE A 53 -15.351 32.493 -9.493 1.00 22.92 C ATOM 306 CZ PHE A 53 -15.128 32.415 -8.107 1.00 24.11 C ATOM 307 H PHE A 53 -10.029 31.395 -9.211 1.00 0.00 H ATOM 308 N ASP A 54 -10.756 30.764 -13.314 1.00 19.56 N ATOM 309 CA ASP A 54 -9.747 30.680 -14.405 1.00 19.57 C ATOM 310 C ASP A 54 -9.207 32.059 -14.758 1.00 17.78 C ATOM 311 O ASP A 54 -9.816 33.146 -14.495 1.00 18.18 O ATOM 312 CB ASP A 54 -10.214 30.064 -15.686 1.00 19.29 C ATOM 313 CG ASP A 54 -10.633 28.615 -15.564 1.00 18.11 C ATOM 314 OD1 ASP A 54 -10.174 27.883 -14.631 1.00 21.34 O ATOM 315 OD2 ASP A 54 -11.479 28.355 -16.479 1.00 22.24 O ATOM 316 H ASP A 54 -11.746 30.488 -13.470 1.00 0.00 H ATOM 317 N ASN A 55 -8.031 32.105 -15.346 1.00 17.27 N ATOM 318 CA ASN A 55 -7.481 33.463 -15.857 1.00 21.59 C ATOM 319 C ASN A 55 -7.300 34.588 -14.781 1.00 26.32 C ATOM 320 O ASN A 55 -7.342 35.728 -15.118 1.00 26.48 O ATOM 321 CB ASN A 55 -8.423 34.035 -16.902 1.00 29.58 C ATOM 322 CG ASN A 55 -7.860 33.738 -18.285 1.00 31.48 C ATOM 323 OD1 ASN A 55 -8.533 33.236 -19.125 1.00 31.85 O ATOM 324 ND2 ASN A 55 -6.588 34.021 -18.459 1.00 30.96 N ATOM 325 HD22 ASN A 55 -6.043 34.461 -17.690 1.00 0.00 H ATOM 326 HD21 ASN A 55 -6.126 33.805 -19.366 1.00 0.00 H ATOM 327 H ASN A 55 -7.473 31.236 -15.468 1.00 0.00 H ATOM 328 N THR A 56 -7.100 34.203 -13.518 1.00 20.97 N ATOM 329 CA THR A 56 -6.716 35.068 -12.471 1.00 19.13 C ATOM 330 C THR A 56 -5.278 34.762 -12.031 1.00 13.73 C ATOM 331 O THR A 56 -4.697 33.639 -12.336 1.00 15.95 O ATOM 332 CB THR A 56 -7.631 34.932 -11.241 1.00 16.73 C ATOM 333 OG1 THR A 56 -7.578 33.521 -10.889 1.00 15.88 O ATOM 334 CG2 THR A 56 -9.111 35.424 -11.559 1.00 23.33 C ATOM 335 HG1 THR A 56 -7.905 32.980 -11.651 1.00 0.00 H ATOM 336 H THR A 56 -7.236 33.197 -13.290 1.00 0.00 H ATOM 337 N PRO A 57 -4.795 35.587 -11.133 1.00 16.83 N ATOM 338 CA PRO A 57 -3.371 35.380 -10.600 1.00 16.69 C ATOM 339 C PRO A 57 -3.180 34.035 -9.883 1.00 11.93 C ATOM 340 O PRO A 57 -2.380 33.244 -10.422 1.00 18.07 O ATOM 341 CB PRO A 57 -3.101 36.617 -9.845 1.00 18.11 C ATOM 342 CG PRO A 57 -3.977 37.550 -10.619 1.00 17.63 C ATOM 343 CD PRO A 57 -5.288 36.904 -10.722 1.00 15.93 C ATOM 344 N ALA A 58 -4.137 33.657 -9.055 1.00 19.15 N ATOM 345 CA ALA A 58 -4.090 32.413 -8.300 1.00 14.63 C ATOM 346 C ALA A 58 -4.041 31.208 -9.256 1.00 14.61 C ATOM 347 O ALA A 58 -3.238 30.276 -9.137 1.00 16.70 O ATOM 348 CB ALA A 58 -5.236 32.295 -7.393 1.00 13.64 C ATOM 349 H ALA A 58 -4.963 34.277 -8.937 1.00 0.00 H ATOM 350 N ALA A 59 -4.995 31.185 -10.222 1.00 14.48 N ATOM 351 CA ALA A 59 -5.004 30.232 -11.304 1.00 17.10 C ATOM 352 C ALA A 59 -3.792 30.057 -12.120 1.00 13.51 C ATOM 353 O ALA A 59 -3.441 28.887 -12.330 1.00 20.36 O ATOM 354 CB ALA A 59 -6.261 30.365 -12.115 1.00 14.94 C ATOM 355 H ALA A 59 -5.758 31.891 -10.179 1.00 0.00 H ATOM 356 N LEU A 60 -3.212 31.119 -12.555 1.00 14.90 N ATOM 357 CA LEU A 60 -2.108 30.996 -13.521 1.00 19.19 C ATOM 358 C LEU A 60 -0.779 30.687 -12.778 1.00 21.24 C ATOM 359 O LEU A 60 -0.019 29.773 -13.092 1.00 24.64 O ATOM 360 CB LEU A 60 -2.074 32.291 -14.256 1.00 19.90 C ATOM 361 CG LEU A 60 -3.218 32.184 -15.295 1.00 23.67 C ATOM 362 CD1 LEU A 60 -3.588 33.571 -15.718 1.00 26.56 C ATOM 363 CD2 LEU A 60 -2.996 31.124 -16.429 1.00 23.45 C ATOM 364 H LEU A 60 -3.520 32.057 -12.227 1.00 0.00 H ATOM 365 N ASP A 61 -0.702 31.104 -11.549 1.00 15.45 N ATOM 366 CA ASP A 61 0.417 30.776 -10.609 1.00 16.20 C ATOM 367 C ASP A 61 0.400 29.198 -10.299 1.00 18.48 C ATOM 368 O ASP A 61 1.516 28.547 -10.212 1.00 21.42 O ATOM 369 CB ASP A 61 0.323 31.578 -9.317 1.00 16.72 C ATOM 370 CG ASP A 61 1.380 31.186 -8.335 1.00 19.86 C ATOM 371 OD1 ASP A 61 2.542 31.618 -8.521 1.00 18.91 O ATOM 372 OD2 ASP A 61 1.158 30.399 -7.412 1.00 18.70 O ATOM 373 H ASP A 61 -1.471 31.707 -11.194 1.00 0.00 H ATOM 374 N GLY A 62 -0.780 28.595 -10.122 1.00 16.15 N ATOM 375 CA GLY A 62 -0.773 27.219 -10.003 1.00 19.99 C ATOM 376 C GLY A 62 -0.382 26.583 -8.671 1.00 20.96 C ATOM 377 O GLY A 62 -0.409 25.322 -8.524 1.00 22.70 O ATOM 378 H GLY A 62 -1.665 29.139 -10.076 1.00 0.00 H ATOM 379 N THR A 63 -0.190 27.425 -7.611 1.00 18.96 N ATOM 380 CA THR A 63 0.286 26.896 -6.341 1.00 20.56 C ATOM 381 C THR A 63 -0.951 26.373 -5.569 1.00 21.65 C ATOM 382 O THR A 63 -1.004 25.234 -5.093 1.00 22.29 O ATOM 383 CB THR A 63 1.180 27.826 -5.447 1.00 25.69 C ATOM 384 OG1 THR A 63 2.341 28.314 -6.175 1.00 20.68 O ATOM 385 CG2 THR A 63 1.660 27.055 -4.292 1.00 26.22 C ATOM 386 HG1 THR A 63 2.041 28.832 -6.963 1.00 0.00 H ATOM 387 H THR A 63 -0.384 28.442 -7.712 1.00 0.00 H ATOM 388 N VAL A 64 -1.947 27.233 -5.405 1.00 21.57 N ATOM 389 CA VAL A 64 -3.034 26.876 -4.546 1.00 19.28 C ATOM 390 C VAL A 64 -4.173 26.355 -5.330 1.00 17.41 C ATOM 391 O VAL A 64 -4.345 26.660 -6.582 1.00 21.19 O ATOM 392 CB VAL A 64 -3.544 28.107 -3.696 1.00 22.28 C ATOM 393 CG1 VAL A 64 -2.392 28.665 -2.848 1.00 21.04 C ATOM 394 CG2 VAL A 64 -4.200 29.021 -4.624 1.00 23.62 C ATOM 395 H VAL A 64 -1.938 28.152 -5.893 1.00 0.00 H ATOM 396 N ALA A 65 -5.062 25.644 -4.609 1.00 21.22 N ATOM 397 CA ALA A 65 -6.096 24.843 -5.194 1.00 23.47 C ATOM 398 C ALA A 65 -7.254 24.743 -4.281 1.00 20.44 C ATOM 399 O ALA A 65 -7.124 24.940 -3.008 1.00 18.53 O ATOM 400 CB ALA A 65 -5.605 23.420 -5.564 1.00 23.50 C ATOM 401 H ALA A 65 -4.994 25.679 -3.572 1.00 0.00 H ATOM 402 N ALA A 66 -8.444 24.505 -4.893 1.00 17.17 N ATOM 403 CA ALA A 66 -9.596 24.028 -4.111 1.00 15.00 C ATOM 404 C ALA A 66 -9.197 23.025 -3.046 1.00 15.91 C ATOM 405 O ALA A 66 -8.656 21.881 -3.321 1.00 12.80 O ATOM 406 CB ALA A 66 -10.741 23.464 -4.952 1.00 18.03 C ATOM 407 H ALA A 66 -8.541 24.660 -5.917 1.00 0.00 H ATOM 408 N GLY A 67 -9.534 23.456 -1.826 1.00 11.91 N ATOM 409 CA GLY A 67 -9.488 22.652 -0.583 1.00 15.86 C ATOM 410 C GLY A 67 -8.237 22.831 0.255 1.00 14.31 C ATOM 411 O GLY A 67 -8.126 22.231 1.342 1.00 12.80 O ATOM 412 H GLY A 67 -9.856 24.441 -1.743 1.00 0.00 H ATOM 413 N ASP A 68 -7.356 23.649 -0.232 1.00 13.82 N ATOM 414 CA ASP A 68 -6.213 24.067 0.665 1.00 15.44 C ATOM 415 C ASP A 68 -6.667 25.003 1.797 1.00 11.93 C ATOM 416 O ASP A 68 -7.616 25.720 1.670 1.00 12.65 O ATOM 417 CB ASP A 68 -5.220 24.823 -0.264 1.00 17.21 C ATOM 418 CG ASP A 68 -4.522 23.978 -1.241 1.00 16.67 C ATOM 419 OD1 ASP A 68 -4.444 22.731 -1.149 1.00 17.21 O ATOM 420 OD2 ASP A 68 -3.843 24.580 -2.095 1.00 18.46 O ATOM 421 H ASP A 68 -7.433 24.005 -1.206 1.00 0.00 H ATOM 422 N GLU A 69 -6.070 24.799 3.012 1.00 15.94 N ATOM 423 CA GLU A 69 -6.395 25.593 4.135 1.00 16.28 C ATOM 424 C GLU A 69 -5.672 26.921 4.146 1.00 16.12 C ATOM 425 O GLU A 69 -4.489 26.919 3.957 1.00 18.44 O ATOM 426 CB GLU A 69 -6.041 24.814 5.399 1.00 18.53 C ATOM 427 CG GLU A 69 -6.718 25.471 6.617 1.00 17.52 C ATOM 428 CD GLU A 69 -6.148 24.896 7.859 1.00 22.63 C ATOM 429 OE1 GLU A 69 -6.336 25.405 8.984 1.00 18.50 O ATOM 430 OE2 GLU A 69 -5.404 23.905 7.800 1.00 21.71 O ATOM 431 H GLU A 69 -5.362 24.044 3.111 1.00 0.00 H ATOM 432 N ILE A 70 -6.355 27.979 4.449 1.00 13.10 N ATOM 433 CA ILE A 70 -5.736 29.338 4.475 1.00 13.00 C ATOM 434 C ILE A 70 -5.357 29.416 6.020 1.00 12.48 C ATOM 435 O ILE A 70 -6.288 29.437 6.843 1.00 18.74 O ATOM 436 CB ILE A 70 -6.646 30.471 4.029 1.00 13.09 C ATOM 437 CG1 ILE A 70 -6.861 30.494 2.448 1.00 14.95 C ATOM 438 CG2 ILE A 70 -5.899 31.743 4.163 1.00 9.89 C ATOM 439 CD1 ILE A 70 -7.988 31.368 2.059 1.00 14.43 C ATOM 440 H ILE A 70 -7.364 27.879 4.681 1.00 0.00 H ATOM 441 N THR A 71 -4.080 29.605 6.365 1.00 15.52 N ATOM 442 CA THR A 71 -3.774 29.805 7.731 1.00 14.26 C ATOM 443 C THR A 71 -3.391 31.329 7.998 1.00 17.73 C ATOM 444 O THR A 71 -3.333 31.757 9.282 1.00 17.15 O ATOM 445 CB THR A 71 -2.438 28.946 8.006 1.00 17.64 C ATOM 446 OG1 THR A 71 -1.535 29.074 6.972 1.00 19.75 O ATOM 447 CG2 THR A 71 -2.760 27.504 8.161 1.00 19.95 C ATOM 448 HG1 THR A 71 -0.728 28.536 7.171 1.00 0.00 H ATOM 449 H THR A 71 -3.329 29.605 5.646 1.00 0.00 H ATOM 450 N GLY A 72 -3.009 32.113 7.026 1.00 12.97 N ATOM 451 CA GLY A 72 -2.360 33.402 7.281 1.00 14.83 C ATOM 452 C GLY A 72 -2.380 34.269 6.093 1.00 12.74 C ATOM 453 O GLY A 72 -2.318 33.687 4.923 1.00 14.26 O ATOM 454 H GLY A 72 -3.170 31.814 6.043 1.00 0.00 H ATOM 455 N VAL A 73 -2.551 35.609 6.256 1.00 13.55 N ATOM 456 CA VAL A 73 -2.251 36.582 5.138 1.00 15.94 C ATOM 457 C VAL A 73 -1.182 37.567 5.547 1.00 17.15 C ATOM 458 O VAL A 73 -1.310 38.230 6.641 1.00 20.81 O ATOM 459 CB VAL A 73 -3.537 37.436 4.890 1.00 15.68 C ATOM 460 CG1 VAL A 73 -3.362 38.402 3.755 1.00 17.15 C ATOM 461 CG2 VAL A 73 -4.745 36.589 4.683 1.00 15.68 C ATOM 462 H VAL A 73 -2.895 35.971 7.168 1.00 0.00 H ATOM 463 N ASN A 74 -0.223 37.712 4.713 1.00 15.50 N ATOM 464 CA ASN A 74 0.826 38.814 4.882 1.00 19.83 C ATOM 465 C ASN A 74 1.551 38.728 6.275 1.00 17.37 C ATOM 466 O ASN A 74 1.551 39.708 7.068 1.00 18.96 O ATOM 467 CB ASN A 74 0.224 40.160 4.560 1.00 19.49 C ATOM 468 CG ASN A 74 0.730 40.642 3.224 1.00 17.63 C ATOM 469 OD1 ASN A 74 0.870 39.813 2.290 1.00 19.13 O ATOM 470 ND2 ASN A 74 0.777 41.966 3.056 1.00 20.20 N ATOM 471 HD22 ASN A 74 0.653 42.598 3.872 1.00 0.00 H ATOM 472 HD21 ASN A 74 0.937 42.365 2.109 1.00 0.00 H ATOM 473 H ASN A 74 -0.154 37.066 3.901 1.00 0.00 H ATOM 474 N GLY A 75 1.779 37.489 6.683 1.00 18.74 N ATOM 475 CA GLY A 75 2.471 37.301 7.973 1.00 21.36 C ATOM 476 C GLY A 75 1.601 37.412 9.218 1.00 19.56 C ATOM 477 O GLY A 75 2.230 37.330 10.347 1.00 19.61 O ATOM 478 H GLY A 75 1.480 36.673 6.112 1.00 0.00 H ATOM 479 N ARG A 76 0.272 37.613 9.097 1.00 16.88 N ATOM 480 CA ARG A 76 -0.700 37.471 10.301 1.00 17.82 C ATOM 481 C ARG A 76 -1.781 36.354 10.140 1.00 17.04 C ATOM 482 O ARG A 76 -2.374 36.220 9.115 1.00 14.34 O ATOM 483 CB ARG A 76 -1.415 38.746 10.593 1.00 19.45 C ATOM 484 CG ARG A 76 -0.535 39.984 10.516 1.00 21.51 C ATOM 485 CD ARG A 76 -1.267 41.333 10.563 1.00 27.55 C ATOM 486 NE ARG A 76 -0.216 42.361 10.654 1.00 37.95 N ATOM 487 CZ ARG A 76 -0.406 43.655 10.951 1.00 43.44 C ATOM 488 NH1 ARG A 76 -1.642 44.145 11.111 1.00 43.61 N ATOM 489 NH2 ARG A 76 0.642 44.483 11.076 1.00 40.20 N ATOM 490 HE ARG A 76 0.761 42.056 10.472 1.00 0.00 H ATOM 491 HH12 ARG A 76 -1.777 45.150 11.341 1.00 0.00 H ATOM 492 HH11 ARG A 76 -2.467 43.520 11.005 1.00 0.00 H ATOM 493 HH22 ARG A 76 0.488 45.485 11.306 1.00 0.00 H ATOM 494 HH21 ARG A 76 1.608 44.123 10.942 1.00 0.00 H ATOM 495 H ARG A 76 -0.115 37.872 8.167 1.00 0.00 H ATOM 496 N SER A 77 -2.110 35.780 11.231 1.00 17.51 N ATOM 497 CA SER A 77 -3.100 34.712 11.239 1.00 15.72 C ATOM 498 C SER A 77 -4.462 35.131 10.901 1.00 15.14 C ATOM 499 O SER A 77 -4.894 36.220 11.147 1.00 19.26 O ATOM 500 CB SER A 77 -3.205 34.255 12.635 1.00 19.41 C ATOM 501 OG SER A 77 -4.114 33.071 12.827 1.00 19.34 O ATOM 502 HG SER A 77 -4.133 32.823 13.785 1.00 0.00 H ATOM 503 H SER A 77 -1.667 36.078 12.123 1.00 0.00 H ATOM 504 N ILE A 78 -5.126 34.141 10.308 1.00 16.48 N ATOM 505 CA ILE A 78 -6.602 34.296 10.147 1.00 17.46 C ATOM 506 C ILE A 78 -7.411 33.565 11.273 1.00 19.36 C ATOM 507 O ILE A 78 -8.695 33.681 11.284 1.00 20.78 O ATOM 508 CB ILE A 78 -7.054 33.998 8.754 1.00 17.07 C ATOM 509 CG1 ILE A 78 -6.618 32.594 8.302 1.00 17.23 C ATOM 510 CG2 ILE A 78 -6.542 35.092 7.894 1.00 19.68 C ATOM 511 CD1 ILE A 78 -7.095 31.504 9.225 1.00 18.53 C ATOM 512 H ILE A 78 -4.634 33.290 9.969 1.00 0.00 H ATOM 513 N LYS A 79 -6.732 33.016 12.275 1.00 23.05 N ATOM 514 CA LYS A 79 -7.415 32.324 13.386 1.00 24.07 C ATOM 515 C LYS A 79 -8.543 33.175 14.009 1.00 27.64 C ATOM 516 O LYS A 79 -8.356 34.324 14.452 1.00 21.98 O ATOM 517 CB LYS A 79 -6.470 31.671 14.366 1.00 24.26 C ATOM 518 CG LYS A 79 -7.100 30.790 15.476 1.00 28.87 C ATOM 519 CD LYS A 79 -6.350 30.770 16.771 1.00 28.98 C ATOM 520 CE LYS A 79 -7.189 29.948 17.822 1.00 28.11 C ATOM 521 NZ LYS A 79 -6.408 29.437 18.937 1.00 28.17 N ATOM 522 HZ1 LYS A 79 -5.664 28.805 18.577 1.00 0.00 H ATOM 523 HZ2 LYS A 79 -5.973 30.232 19.447 1.00 0.00 H ATOM 524 HZ3 LYS A 79 -7.031 28.909 19.582 1.00 0.00 H ATOM 525 H LYS A 79 -5.694 33.075 12.276 1.00 0.00 H ATOM 526 N GLY A 80 -9.754 32.583 14.051 1.00 30.47 N ATOM 527 CA GLY A 80 -10.876 33.254 14.780 1.00 37.76 C ATOM 528 C GLY A 80 -11.441 34.494 14.057 1.00 33.43 C ATOM 529 O GLY A 80 -11.996 35.390 14.727 1.00 30.47 O ATOM 530 H GLY A 80 -9.907 31.668 13.581 1.00 0.00 H ATOM 531 N LYS A 81 -11.203 34.599 12.707 1.00 28.98 N ATOM 532 CA LYS A 81 -11.919 35.516 11.878 1.00 30.40 C ATOM 533 C LYS A 81 -12.958 34.821 11.009 1.00 22.92 C ATOM 534 O LYS A 81 -12.745 33.640 10.626 1.00 27.86 O ATOM 535 CB LYS A 81 -10.932 36.241 10.912 1.00 27.71 C ATOM 536 CG LYS A 81 -9.761 36.912 11.529 1.00 28.04 C ATOM 537 CD LYS A 81 -9.894 38.438 11.521 1.00 34.67 C ATOM 538 CE LYS A 81 -8.546 39.077 11.962 1.00 37.12 C ATOM 539 NZ LYS A 81 -7.585 38.482 10.946 1.00 30.49 N ATOM 540 HZ1 LYS A 81 -7.596 37.445 11.026 1.00 0.00 H ATOM 541 HZ2 LYS A 81 -7.879 38.760 9.988 1.00 0.00 H ATOM 542 HZ3 LYS A 81 -6.624 38.835 11.131 1.00 0.00 H ATOM 543 H LYS A 81 -10.478 33.991 12.275 1.00 0.00 H ATOM 544 N THR A 82 -14.025 35.558 10.704 1.00 21.06 N ATOM 545 CA THR A 82 -15.027 35.074 9.780 1.00 25.84 C ATOM 546 C THR A 82 -14.571 35.328 8.364 1.00 27.37 C ATOM 547 O THR A 82 -13.565 36.012 8.168 1.00 20.99 O ATOM 548 CB THR A 82 -16.370 35.857 9.870 1.00 24.37 C ATOM 549 OG1 THR A 82 -16.101 37.184 9.584 1.00 25.23 O ATOM 550 CG2 THR A 82 -17.013 35.684 11.270 1.00 26.48 C ATOM 551 HG1 THR A 82 -16.940 37.708 9.634 1.00 0.00 H ATOM 552 H THR A 82 -14.139 36.497 11.137 1.00 0.00 H ATOM 553 N LYS A 83 -15.311 34.699 7.434 1.00 32.18 N ATOM 554 CA LYS A 83 -15.013 34.792 6.006 1.00 29.24 C ATOM 555 C LYS A 83 -15.013 36.211 5.550 1.00 31.55 C ATOM 556 O LYS A 83 -14.184 36.561 4.805 1.00 28.72 O ATOM 557 CB LYS A 83 -15.993 34.084 5.071 1.00 34.36 C ATOM 558 CG LYS A 83 -16.518 32.712 5.420 1.00 31.51 C ATOM 559 CD LYS A 83 -17.151 32.103 4.200 1.00 32.36 C ATOM 560 CE LYS A 83 -18.651 32.016 4.255 1.00 36.62 C ATOM 561 NZ LYS A 83 -19.277 32.230 2.938 1.00 39.93 N ATOM 562 HZ1 LYS A 83 -19.023 33.174 2.584 1.00 0.00 H ATOM 563 HZ2 LYS A 83 -18.938 31.506 2.273 1.00 0.00 H ATOM 564 HZ3 LYS A 83 -20.310 32.160 3.031 1.00 0.00 H ATOM 565 H LYS A 83 -16.123 34.127 7.741 1.00 0.00 H ATOM 566 N VAL A 84 -16.015 36.990 5.955 1.00 24.00 N ATOM 567 CA VAL A 84 -16.091 38.378 5.534 1.00 25.97 C ATOM 568 C VAL A 84 -14.769 39.035 5.921 1.00 23.32 C ATOM 569 O VAL A 84 -14.173 39.784 5.103 1.00 22.95 O ATOM 570 CB VAL A 84 -17.421 39.054 6.100 1.00 24.51 C ATOM 571 CG1 VAL A 84 -17.618 40.440 5.568 1.00 26.50 C ATOM 572 CG2 VAL A 84 -18.671 38.297 5.652 1.00 26.18 C ATOM 573 H VAL A 84 -16.750 36.600 6.579 1.00 0.00 H ATOM 574 N GLU A 85 -14.413 38.902 7.191 1.00 23.43 N ATOM 575 CA GLU A 85 -13.182 39.536 7.691 1.00 25.16 C ATOM 576 C GLU A 85 -11.939 39.169 6.955 1.00 21.62 C ATOM 577 O GLU A 85 -11.152 40.089 6.591 1.00 21.12 O ATOM 578 CB GLU A 85 -13.033 39.305 9.159 1.00 19.65 C ATOM 579 H GLU A 85 -15.007 38.346 7.838 1.00 0.00 H ATOM 580 N VAL A 86 -11.777 37.918 6.679 1.00 20.49 N ATOM 581 CA VAL A 86 -10.670 37.404 5.853 1.00 14.95 C ATOM 582 C VAL A 86 -10.630 38.009 4.475 1.00 19.88 C ATOM 583 O VAL A 86 -9.639 38.484 3.963 1.00 19.52 O ATOM 584 CB VAL A 86 -10.617 35.848 5.959 1.00 17.54 C ATOM 585 CG1 VAL A 86 -9.707 35.162 4.910 1.00 16.33 C ATOM 586 CG2 VAL A 86 -10.345 35.284 7.388 1.00 21.37 C ATOM 587 H VAL A 86 -12.464 37.237 7.060 1.00 0.00 H ATOM 588 N ALA A 87 -11.788 37.959 3.805 1.00 15.06 N ATOM 589 CA ALA A 87 -12.031 38.623 2.542 1.00 15.42 C ATOM 590 C ALA A 87 -11.597 40.155 2.460 1.00 18.55 C ATOM 591 O ALA A 87 -10.733 40.583 1.632 1.00 18.03 O ATOM 592 CB ALA A 87 -13.499 38.454 2.063 1.00 15.23 C ATOM 593 H ALA A 87 -12.565 37.406 4.220 1.00 0.00 H ATOM 594 N LYS A 88 -11.951 40.906 3.506 1.00 19.27 N ATOM 595 CA LYS A 88 -11.477 42.253 3.546 1.00 21.06 C ATOM 596 C LYS A 88 -9.989 42.274 3.980 1.00 22.70 C ATOM 597 O LYS A 88 -9.285 43.194 3.524 1.00 24.26 O ATOM 598 CB LYS A 88 -12.512 43.135 4.342 1.00 19.27 C ATOM 599 H LYS A 88 -12.551 40.524 4.265 1.00 0.00 H ATOM 600 N MET A 89 -9.447 41.356 4.731 1.00 22.33 N ATOM 601 CA MET A 89 -7.975 41.289 4.967 1.00 24.76 C ATOM 602 C MET A 89 -7.181 41.183 3.608 1.00 26.51 C ATOM 603 O MET A 89 -6.026 41.698 3.443 1.00 26.02 O ATOM 604 CB MET A 89 -7.691 40.134 5.880 1.00 23.30 C ATOM 605 CG MET A 89 -6.289 40.041 6.495 1.00 24.42 C ATOM 606 SD MET A 89 -6.436 38.666 7.622 1.00 27.48 S ATOM 607 CE MET A 89 -4.797 38.786 8.425 1.00 17.33 C ATOM 608 H MET A 89 -10.061 40.647 5.180 1.00 0.00 H ATOM 609 N ILE A 90 -7.755 40.438 2.706 1.00 18.94 N ATOM 610 CA ILE A 90 -7.125 40.189 1.442 1.00 20.82 C ATOM 611 C ILE A 90 -7.375 41.328 0.509 1.00 22.58 C ATOM 612 O ILE A 90 -6.437 41.810 -0.188 1.00 19.13 O ATOM 613 CB ILE A 90 -7.416 38.817 0.852 1.00 18.72 C ATOM 614 CG1 ILE A 90 -7.063 37.745 1.788 1.00 17.72 C ATOM 615 CG2 ILE A 90 -6.813 38.642 -0.517 1.00 17.28 C ATOM 616 CD1 ILE A 90 -7.627 36.363 1.595 1.00 19.00 C ATOM 617 H ILE A 90 -8.685 40.017 2.906 1.00 0.00 H ATOM 618 N GLN A 91 -8.616 41.880 0.427 1.00 22.26 N ATOM 619 CA GLN A 91 -8.954 42.989 -0.380 1.00 24.40 C ATOM 620 C GLN A 91 -8.077 44.176 -0.061 1.00 21.55 C ATOM 621 O GLN A 91 -7.562 44.878 -0.948 1.00 23.10 O ATOM 622 CB GLN A 91 -10.441 43.290 -0.361 1.00 23.86 C ATOM 623 CG GLN A 91 -11.131 42.170 -1.083 1.00 26.74 C ATOM 624 CD GLN A 91 -12.592 42.152 -0.795 1.00 34.43 C ATOM 625 OE1 GLN A 91 -13.057 42.860 0.134 1.00 36.91 O ATOM 626 NE2 GLN A 91 -13.367 41.408 -1.610 1.00 29.63 N ATOM 627 HE22 GLN A 91 -12.932 40.839 -2.364 1.00 0.00 H ATOM 628 HE21 GLN A 91 -14.399 41.403 -1.484 1.00 0.00 H ATOM 629 H GLN A 91 -9.371 41.454 1.001 1.00 0.00 H ATOM 630 N GLU A 92 -7.813 44.419 1.243 1.00 28.94 N ATOM 631 CA GLU A 92 -7.147 45.625 1.509 1.00 30.77 C ATOM 632 C GLU A 92 -5.607 45.578 1.458 1.00 21.81 C ATOM 633 O GLU A 92 -5.060 46.655 1.454 1.00 23.64 O ATOM 634 CB GLU A 92 -7.774 46.252 2.663 1.00 46.57 C ATOM 635 CG GLU A 92 -7.231 45.600 3.812 1.00 29.21 C ATOM 636 CD GLU A 92 -7.921 46.059 5.127 1.00 52.50 C ATOM 637 OE1 GLU A 92 -7.290 45.798 6.146 1.00 46.32 O ATOM 638 OE2 GLU A 92 -9.045 46.635 5.147 1.00 55.56 O ATOM 639 H GLU A 92 -8.085 43.757 1.997 1.00 0.00 H ATOM 640 N VAL A 93 -5.040 44.493 0.969 1.00 19.61 N ATOM 641 CA VAL A 93 -3.667 44.557 0.634 1.00 20.43 C ATOM 642 C VAL A 93 -3.620 44.736 -0.897 1.00 30.16 C ATOM 643 O VAL A 93 -3.989 43.836 -1.643 1.00 27.64 O ATOM 644 CB VAL A 93 -2.979 43.275 1.106 1.00 18.73 C ATOM 645 CG1 VAL A 93 -1.558 43.055 0.719 1.00 20.60 C ATOM 646 CG2 VAL A 93 -3.294 42.981 2.562 1.00 21.20 C ATOM 647 H VAL A 93 -5.585 43.618 0.834 1.00 0.00 H ATOM 648 N LYS A 94 -3.008 45.832 -1.370 1.00 24.34 N ATOM 649 CA LYS A 94 -2.849 46.136 -2.726 1.00 21.67 C ATOM 650 C LYS A 94 -1.583 45.525 -3.354 1.00 17.75 C ATOM 651 O LYS A 94 -0.550 45.352 -2.717 1.00 21.53 O ATOM 652 CB LYS A 94 -2.783 47.635 -2.983 1.00 24.29 C ATOM 653 CG LYS A 94 -4.045 48.335 -2.380 1.00 28.37 C ATOM 654 CD LYS A 94 -5.347 47.833 -3.041 1.00 29.28 C ATOM 655 CE LYS A 94 -6.361 48.064 -1.966 1.00 25.55 C ATOM 656 NZ LYS A 94 -7.670 48.389 -2.490 1.00 27.64 N ATOM 657 HZ1 LYS A 94 -7.608 49.256 -3.061 1.00 0.00 H ATOM 658 HZ2 LYS A 94 -8.009 47.605 -3.084 1.00 0.00 H ATOM 659 HZ3 LYS A 94 -8.331 48.538 -1.701 1.00 0.00 H ATOM 660 H LYS A 94 -2.623 46.506 -0.677 1.00 0.00 H ATOM 661 N GLY A 95 -1.598 45.429 -4.678 1.00 18.63 N ATOM 662 CA GLY A 95 -0.380 45.118 -5.362 1.00 18.87 C ATOM 663 C GLY A 95 -0.050 43.618 -5.421 1.00 16.94 C ATOM 664 O GLY A 95 -0.140 43.020 -6.551 1.00 17.56 O ATOM 665 H GLY A 95 -2.480 45.577 -5.209 1.00 0.00 H ATOM 666 N GLU A 96 0.361 43.093 -4.286 1.00 20.75 N ATOM 667 CA GLU A 96 0.510 41.639 -4.027 1.00 17.27 C ATOM 668 C GLU A 96 0.141 41.336 -2.583 1.00 21.05 C ATOM 669 O GLU A 96 0.156 42.188 -1.687 1.00 18.29 O ATOM 670 CB GLU A 96 1.918 41.269 -4.261 1.00 20.80 C ATOM 671 CG GLU A 96 2.986 41.994 -3.454 1.00 20.76 C ATOM 672 CD GLU A 96 4.432 41.583 -3.674 1.00 24.71 C ATOM 673 OE1 GLU A 96 4.862 41.175 -4.793 1.00 30.80 O ATOM 674 OE2 GLU A 96 5.282 41.753 -2.780 1.00 25.58 O ATOM 675 H GLU A 96 0.599 43.746 -3.513 1.00 0.00 H ATOM 676 N VAL A 97 -0.035 40.050 -2.382 1.00 15.47 N ATOM 677 CA VAL A 97 -0.560 39.526 -1.042 1.00 14.36 C ATOM 678 C VAL A 97 0.128 38.161 -0.901 1.00 15.48 C ATOM 679 O VAL A 97 0.235 37.478 -1.944 1.00 16.55 O ATOM 680 CB VAL A 97 -2.058 39.479 -0.832 1.00 13.16 C ATOM 681 CG1 VAL A 97 -2.771 38.605 -1.779 1.00 15.46 C ATOM 682 CG2 VAL A 97 -2.300 38.895 0.633 1.00 18.03 C ATOM 683 H VAL A 97 0.185 39.378 -3.144 1.00 0.00 H ATOM 684 N THR A 98 0.664 37.840 0.325 1.00 17.54 N ATOM 685 CA THR A 98 1.163 36.545 0.569 1.00 16.19 C ATOM 686 C THR A 98 0.084 35.713 1.306 1.00 17.31 C ATOM 687 O THR A 98 -0.517 36.120 2.409 1.00 16.18 O ATOM 688 CB THR A 98 2.590 36.634 1.322 1.00 17.27 C ATOM 689 OG1 THR A 98 3.472 37.422 0.498 1.00 18.84 O ATOM 690 CG2 THR A 98 3.160 35.366 1.565 1.00 16.34 C ATOM 691 HG1 THR A 98 3.575 36.986 -0.385 1.00 0.00 H ATOM 692 H THR A 98 0.701 38.558 1.077 1.00 0.00 H ATOM 693 N ILE A 99 -0.138 34.527 0.817 1.00 11.76 N ATOM 694 CA ILE A 99 -1.060 33.550 1.280 1.00 15.88 C ATOM 695 C ILE A 99 -0.387 32.436 1.934 1.00 14.65 C ATOM 696 O ILE A 99 0.323 31.667 1.270 1.00 14.59 O ATOM 697 CB ILE A 99 -2.144 33.054 0.239 1.00 16.03 C ATOM 698 CG1 ILE A 99 -2.853 34.164 -0.388 1.00 17.15 C ATOM 699 CG2 ILE A 99 -3.137 32.096 0.920 1.00 16.92 C ATOM 700 CD1 ILE A 99 -3.515 35.197 0.451 1.00 16.09 C ATOM 701 H ILE A 99 0.429 34.262 -0.014 1.00 0.00 H ATOM 702 N HIS A 100 -0.610 32.184 3.258 1.00 13.14 N ATOM 703 CA HIS A 100 -0.048 31.204 3.977 1.00 14.41 C ATOM 704 C HIS A 100 -1.128 30.012 4.043 1.00 15.21 C ATOM 705 O HIS A 100 -2.218 30.390 4.304 1.00 14.19 O ATOM 706 CB HIS A 100 0.317 31.698 5.368 1.00 16.58 C ATOM 707 CG HIS A 100 1.266 32.854 5.385 1.00 18.48 C ATOM 708 ND1 HIS A 100 2.526 32.721 5.888 1.00 17.10 N ATOM 709 CD2 HIS A 100 1.219 34.076 4.780 1.00 18.35 C ATOM 710 CE1 HIS A 100 3.148 33.904 5.800 1.00 20.47 C ATOM 711 NE2 HIS A 100 2.383 34.742 5.122 1.00 22.04 N ATOM 712 H HIS A 100 -1.277 32.810 3.753 1.00 0.00 H ATOM 713 N TYR A 101 -0.777 28.822 3.641 1.00 15.09 N ATOM 714 CA TYR A 101 -1.646 27.772 3.529 1.00 15.15 C ATOM 715 C TYR A 101 -1.072 26.396 3.931 1.00 18.96 C ATOM 716 O TYR A 101 0.202 26.193 4.073 1.00 20.48 O ATOM 717 CB TYR A 101 -2.121 27.694 2.038 1.00 18.30 C ATOM 718 CG TYR A 101 -0.985 27.370 1.032 1.00 16.98 C ATOM 719 CD1 TYR A 101 -0.490 26.064 0.902 1.00 20.96 C ATOM 720 CD2 TYR A 101 -0.182 28.380 0.515 1.00 16.83 C ATOM 721 CE1 TYR A 101 0.587 25.801 0.218 1.00 22.52 C ATOM 722 CE2 TYR A 101 0.896 28.052 -0.206 1.00 16.66 C ATOM 723 CZ TYR A 101 1.248 26.800 -0.362 1.00 22.10 C ATOM 724 OH TYR A 101 2.384 26.520 -1.026 1.00 19.64 O ATOM 725 HH TYR A 101 2.512 25.539 -1.060 1.00 0.00 H ATOM 726 H TYR A 101 0.220 28.663 3.392 1.00 0.00 H ATOM 727 N ASN A 102 -1.994 25.459 4.018 1.00 17.08 N ATOM 728 CA ASN A 102 -1.697 24.054 4.173 1.00 22.86 C ATOM 729 C ASN A 102 -2.199 23.309 2.986 1.00 18.00 C ATOM 730 O ASN A 102 -3.386 23.591 2.505 1.00 19.38 O ATOM 731 CB ASN A 102 -2.256 23.491 5.425 1.00 20.79 C ATOM 732 CG ASN A 102 -1.584 24.053 6.689 1.00 23.19 C ATOM 733 OD1 ASN A 102 -0.375 24.307 6.780 1.00 19.55 O ATOM 734 ND2 ASN A 102 -2.387 24.162 7.713 1.00 22.20 N ATOM 735 HD22 ASN A 102 -3.398 23.942 7.607 1.00 0.00 H ATOM 736 HD21 ASN A 102 -2.016 24.469 8.635 1.00 0.00 H ATOM 737 H ASN A 102 -2.992 25.747 3.972 1.00 0.00 H ATOM 738 N LYS A 103 -1.384 22.431 2.400 1.00 17.81 N ATOM 739 CA LYS A 103 -1.703 21.868 1.122 1.00 22.32 C ATOM 740 C LYS A 103 -2.651 20.742 1.476 1.00 32.87 C ATOM 741 O LYS A 103 -2.463 20.120 2.462 1.00 22.06 O ATOM 742 CB LYS A 103 -0.466 21.378 0.428 1.00 26.31 C ATOM 743 CG LYS A 103 -0.143 22.205 -0.858 1.00 32.35 C ATOM 744 CD LYS A 103 -1.163 21.930 -1.925 1.00 35.83 C ATOM 745 CE LYS A 103 -1.219 22.998 -2.969 1.00 31.67 C ATOM 746 NZ LYS A 103 -2.485 23.109 -3.720 1.00 29.10 N ATOM 747 HZ1 LYS A 103 -2.673 22.213 -4.214 1.00 0.00 H ATOM 748 HZ2 LYS A 103 -3.262 23.312 -3.059 1.00 0.00 H ATOM 749 HZ3 LYS A 103 -2.409 23.880 -4.414 1.00 0.00 H ATOM 750 H LYS A 103 -0.504 22.151 2.878 1.00 0.00 H ATOM 751 N LEU A 104 -3.699 20.562 0.691 1.00 25.76 N ATOM 752 CA LEU A 104 -4.710 19.465 0.988 1.00 28.10 C ATOM 753 C LEU A 104 -4.205 18.035 0.693 1.00 33.15 C ATOM 754 O LEU A 104 -3.524 17.824 -0.323 1.00 31.26 O ATOM 755 CB LEU A 104 -6.097 19.637 0.229 1.00 28.81 C ATOM 756 CG LEU A 104 -7.200 18.538 0.267 1.00 29.23 C ATOM 757 CD1 LEU A 104 -7.939 18.529 1.625 1.00 26.68 C ATOM 758 CD2 LEU A 104 -8.180 18.584 -0.896 1.00 24.81 C ATOM 759 H LEU A 104 -3.834 21.176 -0.137 1.00 0.00 H TER 760 LEU A 104 ATOM 761 N VAL B 19 -27.627 26.795 4.026 1.00 36.87 N ATOM 762 CA VAL B 19 -28.984 26.291 4.345 1.00 40.55 C ATOM 763 C VAL B 19 -28.981 24.762 4.249 1.00 40.60 C ATOM 764 O VAL B 19 -28.579 24.305 3.134 1.00 32.13 O ATOM 765 CB VAL B 19 -30.010 26.894 3.354 1.00 44.15 C ATOM 766 CG1 VAL B 19 -31.321 26.131 3.313 1.00 37.62 C ATOM 767 CG2 VAL B 19 -30.319 28.331 3.749 1.00 57.26 C ATOM 768 HN3 VAL B 19 -27.368 26.503 3.062 1.00 0.00 H ATOM 769 HN2 VAL B 19 -26.944 26.401 4.704 1.00 0.00 H ATOM 770 HN1 VAL B 19 -27.620 27.833 4.089 1.00 0.00 H ATOM 771 N PRO B 20 -29.518 23.989 5.280 1.00 38.36 N ATOM 772 CA PRO B 20 -29.523 22.489 5.252 1.00 34.58 C ATOM 773 C PRO B 20 -30.376 21.950 4.094 1.00 34.52 C ATOM 774 O PRO B 20 -31.414 22.570 3.762 1.00 35.26 O ATOM 775 CB PRO B 20 -30.122 22.114 6.558 1.00 36.14 C ATOM 776 CG PRO B 20 -31.076 23.249 6.834 1.00 32.27 C ATOM 777 CD PRO B 20 -30.311 24.485 6.436 1.00 36.79 C ATOM 778 N GLY B 21 -29.861 20.904 3.384 1.00 29.90 N ATOM 779 CA GLY B 21 -30.638 20.080 2.516 1.00 23.80 C ATOM 780 C GLY B 21 -30.083 18.632 2.465 1.00 22.19 C ATOM 781 O GLY B 21 -29.171 18.188 3.238 1.00 21.06 O ATOM 782 H GLY B 21 -28.847 20.696 3.481 1.00 0.00 H ATOM 783 N LYS B 22 -30.739 17.916 1.670 1.00 19.57 N ATOM 784 CA LYS B 22 -30.263 16.493 1.377 1.00 23.50 C ATOM 785 C LYS B 22 -30.561 16.011 -0.005 1.00 20.68 C ATOM 786 O LYS B 22 -31.572 16.425 -0.588 1.00 26.02 O ATOM 787 CB LYS B 22 -30.974 15.581 2.359 1.00 20.20 C ATOM 788 CG LYS B 22 -32.346 15.161 2.074 1.00 23.96 C ATOM 789 CD LYS B 22 -32.838 14.326 3.272 1.00 26.21 C ATOM 790 CE LYS B 22 -34.349 14.460 3.371 1.00 28.50 C ATOM 791 NZ LYS B 22 -34.966 13.547 4.439 1.00 26.10 N ATOM 792 HZ1 LYS B 22 -34.751 12.555 4.211 1.00 0.00 H ATOM 793 HZ2 LYS B 22 -34.567 13.785 5.369 1.00 0.00 H ATOM 794 HZ3 LYS B 22 -35.997 13.685 4.458 1.00 0.00 H ATOM 795 H LYS B 22 -31.598 18.287 1.215 1.00 0.00 H ATOM 796 N VAL B 23 -29.800 15.071 -0.554 1.00 15.96 N ATOM 797 CA VAL B 23 -29.998 14.679 -1.913 1.00 18.91 C ATOM 798 C VAL B 23 -29.563 13.224 -1.985 1.00 18.86 C ATOM 799 O VAL B 23 -28.464 12.906 -1.564 1.00 14.49 O ATOM 800 CB VAL B 23 -29.142 15.554 -2.937 1.00 13.88 C ATOM 801 CG1 VAL B 23 -27.630 15.372 -2.719 1.00 13.68 C ATOM 802 CG2 VAL B 23 -29.395 15.251 -4.377 1.00 17.24 C ATOM 803 H VAL B 23 -29.054 14.617 0.010 1.00 0.00 H ATOM 804 N THR B 24 -30.395 12.479 -2.680 1.00 18.26 N ATOM 805 CA THR B 24 -30.016 11.051 -2.933 1.00 17.36 C ATOM 806 C THR B 24 -29.339 10.917 -4.285 1.00 17.23 C ATOM 807 O THR B 24 -30.012 11.149 -5.315 1.00 16.58 O ATOM 808 CB THR B 24 -31.328 10.232 -2.921 1.00 14.73 C ATOM 809 OG1 THR B 24 -31.970 10.399 -1.667 1.00 15.85 O ATOM 810 CG2 THR B 24 -30.952 8.777 -3.143 1.00 12.41 C ATOM 811 HG1 THR B 24 -32.174 11.358 -1.527 1.00 0.00 H ATOM 812 H THR B 24 -31.288 12.869 -3.043 1.00 0.00 H ATOM 813 N LEU B 25 -28.109 10.381 -4.304 1.00 14.10 N ATOM 814 CA LEU B 25 -27.258 10.286 -5.525 1.00 16.45 C ATOM 815 C LEU B 25 -27.158 8.852 -5.964 1.00 17.42 C ATOM 816 O LEU B 25 -26.782 8.004 -5.133 1.00 21.96 O ATOM 817 CB LEU B 25 -25.804 10.942 -5.393 1.00 17.32 C ATOM 818 CG LEU B 25 -26.112 12.443 -5.260 1.00 18.11 C ATOM 819 CD1 LEU B 25 -24.652 12.848 -5.064 1.00 23.20 C ATOM 820 CD2 LEU B 25 -26.830 13.204 -6.417 1.00 24.89 C ATOM 821 H LEU B 25 -27.725 10.009 -3.412 1.00 0.00 H ATOM 822 N GLN B 26 -27.402 8.527 -7.223 1.00 17.74 N ATOM 823 CA GLN B 26 -27.091 7.203 -7.720 1.00 15.28 C ATOM 824 C GLN B 26 -25.497 6.971 -7.779 1.00 23.95 C ATOM 825 O GLN B 26 -24.566 7.749 -8.262 1.00 26.34 O ATOM 826 CB GLN B 26 -27.869 7.052 -9.032 1.00 19.53 C ATOM 827 CG GLN B 26 -29.397 7.030 -8.941 1.00 21.62 C ATOM 828 CD GLN B 26 -30.052 6.266 -7.930 1.00 23.06 C ATOM 829 OE1 GLN B 26 -29.835 5.044 -7.904 1.00 25.36 O ATOM 830 NE2 GLN B 26 -30.727 6.968 -6.926 1.00 20.61 N ATOM 831 HE22 GLN B 26 -30.872 7.994 -7.016 1.00 0.00 H ATOM 832 HE21 GLN B 26 -31.084 6.464 -6.089 1.00 0.00 H ATOM 833 H GLN B 26 -27.822 9.231 -7.863 1.00 0.00 H ATOM 834 N LYS B 27 -25.144 5.779 -7.465 1.00 21.55 N ATOM 835 CA LYS B 27 -23.724 5.313 -7.604 1.00 22.14 C ATOM 836 C LYS B 27 -23.487 4.807 -9.017 1.00 26.21 C ATOM 837 O LYS B 27 -24.470 4.296 -9.630 1.00 21.79 O ATOM 838 CB LYS B 27 -23.392 4.284 -6.641 1.00 20.64 C ATOM 839 CG LYS B 27 -23.531 4.871 -5.197 1.00 18.65 C ATOM 840 CD LYS B 27 -22.726 4.187 -4.220 1.00 20.09 C ATOM 841 CE LYS B 27 -22.107 4.978 -3.116 1.00 19.36 C ATOM 842 NZ LYS B 27 -20.843 4.453 -2.794 1.00 19.32 N ATOM 843 HZ1 LYS B 27 -20.947 3.464 -2.489 1.00 0.00 H ATOM 844 HZ2 LYS B 27 -20.228 4.496 -3.631 1.00 0.00 H ATOM 845 HZ3 LYS B 27 -20.423 5.012 -2.024 1.00 0.00 H ATOM 846 H LYS B 27 -25.861 5.117 -7.104 1.00 0.00 H ATOM 847 N ASP B 28 -22.361 5.127 -9.549 1.00 20.24 N ATOM 848 CA ASP B 28 -22.071 4.956 -10.983 1.00 20.48 C ATOM 849 C ASP B 28 -21.591 3.490 -10.991 1.00 18.77 C ATOM 850 O ASP B 28 -21.500 2.856 -9.960 1.00 20.64 O ATOM 851 CB ASP B 28 -21.114 5.970 -11.775 1.00 22.76 C ATOM 852 CG ASP B 28 -19.650 5.924 -11.245 1.00 19.96 C ATOM 853 OD1 ASP B 28 -19.353 5.027 -10.413 1.00 19.86 O ATOM 854 OD2 ASP B 28 -18.978 6.853 -11.506 1.00 26.93 O ATOM 855 H ASP B 28 -21.620 5.525 -8.938 1.00 0.00 H ATOM 856 N ALA B 29 -21.340 2.950 -12.148 1.00 24.44 N ATOM 857 CA ALA B 29 -20.884 1.575 -12.243 1.00 24.63 C ATOM 858 C ALA B 29 -19.598 1.277 -11.530 1.00 32.52 C ATOM 859 O ALA B 29 -19.295 0.101 -11.280 1.00 39.28 O ATOM 860 CB ALA B 29 -20.773 1.216 -13.717 1.00 25.64 C ATOM 861 H ALA B 29 -21.468 3.510 -13.015 1.00 0.00 H ATOM 862 N GLN B 30 -18.801 2.311 -11.267 1.00 24.53 N ATOM 863 CA GLN B 30 -17.538 2.270 -10.497 1.00 22.71 C ATOM 864 C GLN B 30 -17.720 2.440 -8.945 1.00 21.54 C ATOM 865 O GLN B 30 -16.740 2.702 -8.168 1.00 23.34 O ATOM 866 CB GLN B 30 -16.491 3.330 -11.050 1.00 28.16 C ATOM 867 CG GLN B 30 -16.067 3.117 -12.570 1.00 31.92 C ATOM 868 CD GLN B 30 -17.203 3.233 -13.573 1.00 38.64 C ATOM 869 OE1 GLN B 30 -17.723 2.208 -14.151 1.00 44.18 O ATOM 870 NE2 GLN B 30 -17.705 4.453 -13.707 1.00 36.31 N ATOM 871 HE22 GLN B 30 -17.255 5.256 -13.223 1.00 0.00 H ATOM 872 HE21 GLN B 30 -18.548 4.607 -14.296 1.00 0.00 H ATOM 873 H GLN B 30 -19.095 3.237 -11.639 1.00 0.00 H ATOM 874 N ASN B 31 -18.996 2.375 -8.566 1.00 22.04 N ATOM 875 CA ASN B 31 -19.448 2.703 -7.196 1.00 22.26 C ATOM 876 C ASN B 31 -19.008 4.104 -6.710 1.00 22.41 C ATOM 877 O ASN B 31 -18.564 4.165 -5.582 1.00 23.96 O ATOM 878 CB ASN B 31 -18.887 1.658 -6.244 1.00 22.10 C ATOM 879 CG ASN B 31 -19.381 1.828 -4.812 1.00 19.26 C ATOM 880 OD1 ASN B 31 -20.493 2.221 -4.505 1.00 21.93 O ATOM 881 ND2 ASN B 31 -18.449 1.677 -3.928 1.00 18.97 N ATOM 882 HD22 ASN B 31 -17.508 1.340 -4.216 1.00 0.00 H ATOM 883 HD21 ASN B 31 -18.640 1.893 -2.929 1.00 0.00 H ATOM 884 H ASN B 31 -19.707 2.080 -9.266 1.00 0.00 H ATOM 885 N LEU B 32 -19.059 5.135 -7.589 1.00 21.85 N ATOM 886 CA LEU B 32 -18.803 6.477 -7.195 1.00 19.08 C ATOM 887 C LEU B 32 -19.978 7.421 -7.301 1.00 15.18 C ATOM 888 O LEU B 32 -20.784 7.280 -8.201 1.00 16.29 O ATOM 889 CB LEU B 32 -17.636 7.022 -8.051 1.00 21.76 C ATOM 890 CG LEU B 32 -16.382 6.233 -8.118 1.00 23.06 C ATOM 891 CD1 LEU B 32 -15.478 7.027 -9.044 1.00 23.40 C ATOM 892 CD2 LEU B 32 -15.686 6.122 -6.808 1.00 26.32 C ATOM 893 H LEU B 32 -19.293 4.938 -8.583 1.00 0.00 H ATOM 894 N ILE B 33 -20.036 8.481 -6.429 1.00 13.22 N ATOM 895 CA ILE B 33 -20.927 9.539 -6.696 1.00 13.19 C ATOM 896 C ILE B 33 -20.101 10.722 -7.471 1.00 13.30 C ATOM 897 O ILE B 33 -20.712 11.535 -8.123 1.00 13.50 O ATOM 898 CB ILE B 33 -21.607 10.099 -5.434 1.00 11.32 C ATOM 899 CG1 ILE B 33 -20.635 10.503 -4.356 1.00 12.52 C ATOM 900 CG2 ILE B 33 -22.631 9.085 -4.750 1.00 11.35 C ATOM 901 CD1 ILE B 33 -21.288 11.443 -3.251 1.00 13.82 C ATOM 902 H ILE B 33 -19.431 8.502 -5.584 1.00 0.00 H ATOM 903 N GLY B 34 -18.783 10.753 -7.247 1.00 10.85 N ATOM 904 CA GLY B 34 -17.884 11.713 -8.022 1.00 14.47 C ATOM 905 C GLY B 34 -17.620 12.969 -7.222 1.00 15.93 C ATOM 906 O GLY B 34 -17.623 14.098 -7.767 1.00 13.32 O ATOM 907 H GLY B 34 -18.366 10.117 -6.538 1.00 0.00 H ATOM 908 N ILE B 35 -17.379 12.866 -5.887 1.00 17.69 N ATOM 909 CA ILE B 35 -16.872 13.963 -5.174 1.00 19.97 C ATOM 910 C ILE B 35 -15.573 13.558 -4.414 1.00 19.03 C ATOM 911 O ILE B 35 -15.380 12.411 -4.100 1.00 16.06 O ATOM 912 CB ILE B 35 -17.853 14.615 -4.296 1.00 17.34 C ATOM 913 CG1 ILE B 35 -18.120 13.632 -3.052 1.00 15.14 C ATOM 914 CG2 ILE B 35 -19.199 14.933 -4.952 1.00 14.54 C ATOM 915 CD1 ILE B 35 -19.061 14.093 -1.952 1.00 20.58 C ATOM 916 H ILE B 35 -17.571 11.971 -5.393 1.00 0.00 H ATOM 917 N SER B 36 -14.712 14.569 -4.126 1.00 13.85 N ATOM 918 CA SER B 36 -13.633 14.506 -3.072 1.00 13.36 C ATOM 919 C SER B 36 -14.119 15.392 -1.927 1.00 14.63 C ATOM 920 O SER B 36 -15.064 16.271 -1.974 1.00 13.51 O ATOM 921 CB SER B 36 -12.344 15.012 -3.607 1.00 12.63 C ATOM 922 OG SER B 36 -12.400 16.471 -3.840 1.00 11.81 O ATOM 923 HG SER B 36 -11.530 16.781 -4.196 1.00 0.00 H ATOM 924 H SER B 36 -14.803 15.450 -4.671 1.00 0.00 H ATOM 925 N ILE B 37 -13.422 15.164 -0.839 1.00 20.19 N ATOM 926 CA ILE B 37 -13.843 15.724 0.459 1.00 16.64 C ATOM 927 C ILE B 37 -12.601 16.311 1.210 1.00 14.64 C ATOM 928 O ILE B 37 -11.450 15.921 0.876 1.00 15.38 O ATOM 929 CB ILE B 37 -14.691 14.765 1.340 1.00 17.43 C ATOM 930 CG1 ILE B 37 -14.010 13.520 1.696 1.00 13.85 C ATOM 931 CG2 ILE B 37 -16.151 14.659 0.813 1.00 13.37 C ATOM 932 CD1 ILE B 37 -14.678 12.569 2.722 1.00 16.57 C ATOM 933 H ILE B 37 -12.562 14.581 -0.892 1.00 0.00 H ATOM 934 N GLY B 38 -12.768 17.306 2.059 1.00 15.22 N ATOM 935 CA GLY B 38 -11.536 17.593 2.952 1.00 14.19 C ATOM 936 C GLY B 38 -12.091 18.028 4.265 1.00 19.01 C ATOM 937 O GLY B 38 -13.290 18.158 4.516 1.00 17.01 O ATOM 938 H GLY B 38 -13.651 17.851 2.123 1.00 0.00 H ATOM 939 N GLY B 39 -11.184 18.293 5.221 1.00 16.10 N ATOM 940 CA GLY B 39 -11.574 18.629 6.580 1.00 16.99 C ATOM 941 C GLY B 39 -11.524 17.345 7.322 1.00 15.18 C ATOM 942 O GLY B 39 -10.906 16.434 6.855 1.00 19.45 O ATOM 943 H GLY B 39 -10.173 18.256 4.981 1.00 0.00 H ATOM 944 N GLY B 40 -12.242 17.284 8.388 1.00 23.06 N ATOM 945 CA GLY B 40 -12.485 16.106 9.281 1.00 21.14 C ATOM 946 C GLY B 40 -11.210 15.698 10.051 1.00 25.04 C ATOM 947 O GLY B 40 -10.731 14.527 10.056 1.00 32.03 O ATOM 948 H GLY B 40 -12.715 18.167 8.666 1.00 0.00 H ATOM 949 N ALA B 41 -10.636 16.739 10.646 1.00 21.35 N ATOM 950 CA ALA B 41 -9.280 16.652 11.281 1.00 26.59 C ATOM 951 C ALA B 41 -9.427 16.833 12.765 1.00 24.30 C ATOM 952 O ALA B 41 -9.987 17.863 13.166 1.00 32.05 O ATOM 953 CB ALA B 41 -8.433 17.795 10.708 1.00 29.65 C ATOM 954 H ALA B 41 -11.145 17.646 10.672 1.00 0.00 H TER 955 ALA B 41 ATOM 956 N TYR B 43 -7.960 19.394 14.700 1.00 16.57 N ATOM 957 CA TYR B 43 -8.491 20.763 14.910 1.00 18.83 C ATOM 958 C TYR B 43 -9.258 21.449 13.825 1.00 23.13 C ATOM 959 O TYR B 43 -9.594 22.663 13.964 1.00 22.55 O ATOM 960 CB TYR B 43 -7.382 21.712 15.417 1.00 32.77 C ATOM 961 CG TYR B 43 -6.328 21.120 16.364 1.00 42.60 C ATOM 962 CD1 TYR B 43 -5.159 20.532 15.825 1.00 54.78 C ATOM 963 CD2 TYR B 43 -6.456 21.207 17.763 1.00 57.28 C ATOM 964 CE1 TYR B 43 -4.190 19.981 16.633 1.00 48.82 C ATOM 965 CE2 TYR B 43 -5.474 20.677 18.595 1.00 52.86 C ATOM 966 CZ TYR B 43 -4.346 20.076 18.016 1.00 57.40 C ATOM 967 OH TYR B 43 -3.363 19.529 18.770 1.00 66.82 O ATOM 968 HH TYR B 43 -2.661 19.159 18.178 1.00 0.00 H ATOM 969 HN3 TYR B 43 -7.302 19.398 13.894 1.00 0.00 H ATOM 970 HN2 TYR B 43 -8.748 18.744 14.503 1.00 0.00 H ATOM 971 HN1 TYR B 43 -7.459 19.083 15.556 1.00 0.00 H ATOM 972 N CYS B 44 -9.653 20.675 12.837 1.00 21.91 N ATOM 973 CA CYS B 44 -10.551 21.182 11.773 1.00 27.84 C ATOM 974 C CYS B 44 -11.723 20.182 11.622 1.00 26.90 C ATOM 975 O CYS B 44 -11.677 19.361 10.640 1.00 25.14 O ATOM 976 CB CYS B 44 -9.899 21.417 10.405 1.00 24.19 C ATOM 977 SG CYS B 44 -8.665 22.761 10.300 1.00 27.04 S ATOM 978 H CYS B 44 -9.328 19.688 12.802 1.00 0.00 H ATOM 979 N PRO B 45 -12.712 20.315 12.479 1.00 25.88 N ATOM 980 CA PRO B 45 -13.697 19.238 12.590 1.00 29.59 C ATOM 981 C PRO B 45 -14.781 19.251 11.437 1.00 26.60 C ATOM 982 O PRO B 45 -15.391 18.161 11.254 1.00 25.42 O ATOM 983 CB PRO B 45 -14.320 19.512 13.954 1.00 34.44 C ATOM 984 CG PRO B 45 -14.478 20.983 14.007 1.00 31.34 C ATOM 985 CD PRO B 45 -13.143 21.452 13.346 1.00 37.29 C ATOM 986 N CYS B 46 -15.048 20.384 10.721 1.00 19.95 N ATOM 987 CA CYS B 46 -16.191 20.368 9.659 1.00 21.04 C ATOM 988 C CYS B 46 -15.690 19.699 8.420 1.00 19.90 C ATOM 989 O CYS B 46 -14.482 19.533 8.322 1.00 24.20 O ATOM 990 CB CYS B 46 -16.913 21.666 9.386 1.00 14.95 C ATOM 991 SG CYS B 46 -17.434 22.378 11.014 1.00 28.50 S ATOM 992 H CYS B 46 -14.494 21.249 10.883 1.00 0.00 H ATOM 993 N LEU B 47 -16.614 19.228 7.549 1.00 15.28 N ATOM 994 CA LEU B 47 -16.258 18.302 6.469 1.00 18.78 C ATOM 995 C LEU B 47 -16.918 18.959 5.304 1.00 16.06 C ATOM 996 O LEU B 47 -18.183 19.150 5.408 1.00 17.06 O ATOM 997 CB LEU B 47 -16.884 16.850 6.747 1.00 15.11 C ATOM 998 CG LEU B 47 -16.254 15.928 5.714 1.00 13.80 C ATOM 999 CD1 LEU B 47 -14.801 15.540 6.079 1.00 16.04 C ATOM 1000 CD2 LEU B 47 -16.888 14.595 5.590 1.00 15.92 C ATOM 1001 H LEU B 47 -17.604 19.532 7.649 1.00 0.00 H ATOM 1002 N TYR B 48 -16.188 19.094 4.167 1.00 18.22 N ATOM 1003 CA TYR B 48 -16.681 19.704 2.966 1.00 16.77 C ATOM 1004 C TYR B 48 -16.477 18.900 1.744 1.00 13.16 C ATOM 1005 O TYR B 48 -15.477 18.134 1.638 1.00 16.26 O ATOM 1006 CB TYR B 48 -15.918 21.008 2.803 1.00 20.44 C ATOM 1007 CG TYR B 48 -16.071 21.969 3.923 1.00 14.77 C ATOM 1008 CD1 TYR B 48 -17.091 22.874 3.912 1.00 18.11 C ATOM 1009 CD2 TYR B 48 -15.130 21.952 5.026 1.00 16.83 C ATOM 1010 CE1 TYR B 48 -17.318 23.715 5.038 1.00 15.88 C ATOM 1011 CE2 TYR B 48 -15.254 22.873 6.026 1.00 15.74 C ATOM 1012 CZ TYR B 48 -16.305 23.751 5.985 1.00 16.17 C ATOM 1013 OH TYR B 48 -16.467 24.626 7.000 1.00 17.34 O ATOM 1014 HH TYR B 48 -17.263 25.188 6.826 1.00 0.00 H ATOM 1015 H TYR B 48 -15.213 18.733 4.167 1.00 0.00 H ATOM 1016 N ILE B 49 -17.362 19.130 0.747 1.00 13.08 N ATOM 1017 CA ILE B 49 -17.076 18.745 -0.607 1.00 13.72 C ATOM 1018 C ILE B 49 -15.968 19.664 -1.152 1.00 14.76 C ATOM 1019 O ILE B 49 -16.106 20.857 -0.945 1.00 18.95 O ATOM 1020 CB ILE B 49 -18.342 18.876 -1.395 1.00 11.80 C ATOM 1021 CG1 ILE B 49 -19.389 17.913 -0.840 1.00 14.22 C ATOM 1022 CG2 ILE B 49 -18.051 18.676 -2.892 1.00 15.18 C ATOM 1023 CD1 ILE B 49 -20.734 17.848 -1.561 1.00 15.42 C ATOM 1024 H ILE B 49 -18.267 19.594 0.965 1.00 0.00 H ATOM 1025 N VAL B 50 -14.851 19.164 -1.563 1.00 10.96 N ATOM 1026 CA VAL B 50 -13.760 20.021 -2.186 1.00 14.32 C ATOM 1027 C VAL B 50 -13.825 20.040 -3.802 1.00 18.40 C ATOM 1028 O VAL B 50 -13.353 21.118 -4.540 1.00 20.32 O ATOM 1029 CB VAL B 50 -12.406 19.507 -1.726 1.00 15.98 C ATOM 1030 CG1 VAL B 50 -11.318 20.336 -2.302 1.00 16.33 C ATOM 1031 CG2 VAL B 50 -12.307 19.566 -0.225 1.00 16.80 C ATOM 1032 H VAL B 50 -14.692 18.141 -1.465 1.00 0.00 H ATOM 1033 N GLN B 51 -14.066 18.868 -4.443 1.00 15.58 N ATOM 1034 CA GLN B 51 -14.244 18.788 -5.900 1.00 18.52 C ATOM 1035 C GLN B 51 -15.501 17.999 -6.235 1.00 17.72 C ATOM 1036 O GLN B 51 -15.842 16.935 -5.612 1.00 14.06 O ATOM 1037 CB GLN B 51 -13.053 18.090 -6.497 1.00 20.51 C ATOM 1038 CG GLN B 51 -12.715 18.765 -7.870 1.00 24.66 C ATOM 1039 CD GLN B 51 -11.504 18.057 -8.552 1.00 26.48 C ATOM 1040 OE1 GLN B 51 -10.543 17.592 -7.869 1.00 24.95 O ATOM 1041 NE2 GLN B 51 -11.539 18.003 -9.922 1.00 26.01 N ATOM 1042 HE22 GLN B 51 -12.351 18.399 -10.437 1.00 0.00 H ATOM 1043 HE21 GLN B 51 -10.754 17.566 -10.445 1.00 0.00 H ATOM 1044 H GLN B 51 -14.127 17.994 -3.882 1.00 0.00 H ATOM 1045 N VAL B 52 -16.144 18.404 -7.317 1.00 14.47 N ATOM 1046 CA VAL B 52 -17.216 17.538 -7.919 1.00 13.42 C ATOM 1047 C VAL B 52 -16.741 17.214 -9.314 1.00 16.05 C ATOM 1048 O VAL B 52 -16.293 18.144 -10.094 1.00 16.47 O ATOM 1049 CB VAL B 52 -18.563 18.167 -8.066 1.00 15.80 C ATOM 1050 CG1 VAL B 52 -19.509 17.271 -8.959 1.00 19.86 C ATOM 1051 CG2 VAL B 52 -19.244 18.556 -6.671 1.00 17.71 C ATOM 1052 H VAL B 52 -15.909 19.319 -7.751 1.00 0.00 H ATOM 1053 N PHE B 53 -16.530 15.984 -9.548 1.00 13.26 N ATOM 1054 CA PHE B 53 -15.951 15.559 -10.764 1.00 11.42 C ATOM 1055 C PHE B 53 -16.929 15.587 -11.975 1.00 13.17 C ATOM 1056 O PHE B 53 -17.991 14.952 -11.934 1.00 14.18 O ATOM 1057 CB PHE B 53 -15.435 14.292 -10.516 1.00 13.22 C ATOM 1058 CG PHE B 53 -14.110 14.243 -9.674 1.00 13.07 C ATOM 1059 CD1 PHE B 53 -12.922 14.777 -10.225 1.00 16.27 C ATOM 1060 CD2 PHE B 53 -14.183 14.045 -8.356 1.00 17.08 C ATOM 1061 CE1 PHE B 53 -11.784 14.851 -9.454 1.00 21.02 C ATOM 1062 CE2 PHE B 53 -13.039 14.031 -7.537 1.00 18.41 C ATOM 1063 CZ PHE B 53 -11.874 14.527 -8.103 1.00 22.02 C ATOM 1064 H PHE B 53 -16.788 15.276 -8.831 1.00 0.00 H ATOM 1065 N ASP B 54 -16.462 16.176 -13.093 1.00 13.34 N ATOM 1066 CA ASP B 54 -17.247 16.068 -14.323 1.00 17.07 C ATOM 1067 C ASP B 54 -17.689 14.682 -14.743 1.00 13.68 C ATOM 1068 O ASP B 54 -16.855 13.659 -14.678 1.00 11.15 O ATOM 1069 CB ASP B 54 -16.437 16.567 -15.503 1.00 16.31 C ATOM 1070 CG ASP B 54 -16.121 18.045 -15.446 1.00 15.73 C ATOM 1071 OD1 ASP B 54 -16.569 18.794 -14.577 1.00 19.46 O ATOM 1072 OD2 ASP B 54 -15.618 18.504 -16.502 1.00 28.04 O ATOM 1073 H ASP B 54 -15.562 16.697 -13.082 1.00 0.00 H ATOM 1074 N ASN B 55 -18.914 14.626 -15.231 1.00 14.81 N ATOM 1075 CA ASN B 55 -19.499 13.430 -15.726 1.00 19.30 C ATOM 1076 C ASN B 55 -19.772 12.340 -14.722 1.00 14.35 C ATOM 1077 O ASN B 55 -19.856 11.212 -15.089 1.00 18.84 O ATOM 1078 CB ASN B 55 -18.771 12.917 -16.937 1.00 20.03 C ATOM 1079 CG ASN B 55 -19.584 13.108 -18.186 1.00 23.15 C ATOM 1080 OD1 ASN B 55 -19.302 13.956 -18.974 1.00 28.26 O ATOM 1081 ND2 ASN B 55 -20.624 12.341 -18.323 1.00 22.70 N ATOM 1082 HD22 ASN B 55 -20.831 11.613 -17.609 1.00 0.00 H ATOM 1083 HD21 ASN B 55 -21.249 12.455 -19.146 1.00 0.00 H ATOM 1084 H ASN B 55 -19.478 15.499 -15.254 1.00 0.00 H ATOM 1085 N THR B 56 -19.913 12.739 -13.468 1.00 16.44 N ATOM 1086 CA THR B 56 -20.252 11.795 -12.479 1.00 20.60 C ATOM 1087 C THR B 56 -21.750 12.113 -12.033 1.00 15.94 C ATOM 1088 O THR B 56 -22.306 13.211 -12.390 1.00 14.92 O ATOM 1089 CB THR B 56 -19.364 11.956 -11.279 1.00 18.39 C ATOM 1090 OG1 THR B 56 -19.685 13.239 -10.666 1.00 15.89 O ATOM 1091 CG2 THR B 56 -17.930 11.769 -11.730 1.00 14.50 C ATOM 1092 HG1 THR B 56 -19.521 13.965 -11.318 1.00 0.00 H ATOM 1093 H THR B 56 -19.775 13.738 -13.216 1.00 0.00 H ATOM 1094 N PRO B 57 -22.322 11.287 -11.102 1.00 16.01 N ATOM 1095 CA PRO B 57 -23.669 11.484 -10.805 1.00 15.40 C ATOM 1096 C PRO B 57 -23.857 12.796 -10.013 1.00 11.79 C ATOM 1097 O PRO B 57 -24.884 13.399 -10.134 1.00 11.21 O ATOM 1098 CB PRO B 57 -24.038 10.235 -9.953 1.00 15.06 C ATOM 1099 CG PRO B 57 -23.155 9.241 -10.398 1.00 15.63 C ATOM 1100 CD PRO B 57 -21.930 9.899 -10.944 1.00 20.01 C ATOM 1101 N ALA B 58 -22.884 13.124 -9.126 1.00 12.19 N ATOM 1102 CA ALA B 58 -22.943 14.349 -8.419 1.00 15.75 C ATOM 1103 C ALA B 58 -22.764 15.591 -9.357 1.00 12.25 C ATOM 1104 O ALA B 58 -23.490 16.577 -9.082 1.00 16.41 O ATOM 1105 CB ALA B 58 -21.781 14.361 -7.347 1.00 14.45 C ATOM 1106 H ALA B 58 -22.090 12.472 -8.965 1.00 0.00 H ATOM 1107 N ALA B 59 -21.911 15.524 -10.359 1.00 13.06 N ATOM 1108 CA ALA B 59 -21.802 16.653 -11.308 1.00 14.97 C ATOM 1109 C ALA B 59 -23.169 16.779 -12.137 1.00 18.37 C ATOM 1110 O ALA B 59 -23.730 17.970 -12.310 1.00 23.42 O ATOM 1111 CB ALA B 59 -20.765 16.485 -12.253 1.00 14.98 C ATOM 1112 H ALA B 59 -21.316 14.680 -10.482 1.00 0.00 H ATOM 1113 N LEU B 60 -23.694 15.656 -12.600 1.00 16.46 N ATOM 1114 CA LEU B 60 -24.909 15.749 -13.507 1.00 20.34 C ATOM 1115 C LEU B 60 -26.138 16.021 -12.675 1.00 22.58 C ATOM 1116 O LEU B 60 -27.159 16.451 -13.261 1.00 23.91 O ATOM 1117 CB LEU B 60 -24.914 14.471 -14.282 1.00 19.54 C ATOM 1118 CG LEU B 60 -23.830 14.409 -15.410 1.00 21.46 C ATOM 1119 CD1 LEU B 60 -23.586 12.997 -15.941 1.00 25.26 C ATOM 1120 CD2 LEU B 60 -23.929 15.470 -16.477 1.00 31.94 C ATOM 1121 H LEU B 60 -23.285 14.733 -12.349 1.00 0.00 H ATOM 1122 N ASP B 61 -26.133 15.745 -11.376 1.00 20.98 N ATOM 1123 CA ASP B 61 -27.322 16.038 -10.577 1.00 19.92 C ATOM 1124 C ASP B 61 -27.444 17.553 -10.574 1.00 18.27 C ATOM 1125 O ASP B 61 -28.408 18.134 -11.072 1.00 19.70 O ATOM 1126 CB ASP B 61 -27.163 15.510 -9.153 1.00 19.35 C ATOM 1127 CG ASP B 61 -28.312 15.915 -8.250 1.00 18.50 C ATOM 1128 OD1 ASP B 61 -28.129 16.842 -7.433 1.00 18.91 O ATOM 1129 OD2 ASP B 61 -29.397 15.307 -8.358 1.00 19.28 O ATOM 1130 H ASP B 61 -25.292 15.325 -10.932 1.00 0.00 H ATOM 1131 N GLY B 62 -26.424 18.166 -9.994 1.00 15.58 N ATOM 1132 CA GLY B 62 -26.230 19.660 -9.902 1.00 17.73 C ATOM 1133 C GLY B 62 -26.549 20.259 -8.540 1.00 18.73 C ATOM 1134 O GLY B 62 -26.352 21.425 -8.374 1.00 20.37 O ATOM 1135 H GLY B 62 -25.692 17.565 -9.564 1.00 0.00 H ATOM 1136 N THR B 63 -26.959 19.422 -7.596 1.00 14.17 N ATOM 1137 CA THR B 63 -27.395 19.846 -6.252 1.00 16.18 C ATOM 1138 C THR B 63 -26.204 20.256 -5.465 1.00 15.54 C ATOM 1139 O THR B 63 -26.347 21.239 -4.797 1.00 16.22 O ATOM 1140 CB THR B 63 -28.110 18.725 -5.494 1.00 16.80 C ATOM 1141 OG1 THR B 63 -29.332 18.408 -6.197 1.00 20.05 O ATOM 1142 CG2 THR B 63 -28.526 19.133 -4.171 1.00 19.37 C ATOM 1143 HG1 THR B 63 -29.115 18.112 -7.116 1.00 0.00 H ATOM 1144 H THR B 63 -26.974 18.406 -7.817 1.00 0.00 H ATOM 1145 N VAL B 64 -25.136 19.442 -5.457 1.00 12.68 N ATOM 1146 CA VAL B 64 -23.991 19.811 -4.593 1.00 17.52 C ATOM 1147 C VAL B 64 -22.877 20.431 -5.385 1.00 17.23 C ATOM 1148 O VAL B 64 -22.858 20.368 -6.537 1.00 18.13 O ATOM 1149 CB VAL B 64 -23.519 18.781 -3.581 1.00 19.76 C ATOM 1150 CG1 VAL B 64 -24.603 18.047 -2.834 1.00 28.38 C ATOM 1151 CG2 VAL B 64 -22.769 17.712 -4.299 1.00 22.95 C ATOM 1152 H VAL B 64 -25.114 18.580 -6.039 1.00 0.00 H ATOM 1153 N ALA B 65 -21.970 21.094 -4.668 1.00 18.85 N ATOM 1154 CA ALA B 65 -20.953 21.975 -5.357 1.00 13.25 C ATOM 1155 C ALA B 65 -19.771 22.038 -4.351 1.00 15.21 C ATOM 1156 O ALA B 65 -19.923 21.810 -3.120 1.00 15.46 O ATOM 1157 CB ALA B 65 -21.448 23.303 -5.618 1.00 15.03 C ATOM 1158 H ALA B 65 -21.962 21.005 -3.632 1.00 0.00 H ATOM 1159 N ALA B 66 -18.541 22.323 -4.829 1.00 17.00 N ATOM 1160 CA ALA B 66 -17.409 22.698 -3.881 1.00 16.05 C ATOM 1161 C ALA B 66 -17.780 23.761 -2.822 1.00 17.13 C ATOM 1162 O ALA B 66 -18.690 24.619 -3.048 1.00 16.98 O ATOM 1163 CB ALA B 66 -16.280 23.219 -4.651 1.00 20.02 C ATOM 1164 H ALA B 66 -18.365 22.286 -5.853 1.00 0.00 H ATOM 1165 N GLY B 67 -17.247 23.633 -1.581 1.00 16.24 N ATOM 1166 CA GLY B 67 -17.732 24.609 -0.590 1.00 15.68 C ATOM 1167 C GLY B 67 -18.820 23.993 0.300 1.00 14.80 C ATOM 1168 O GLY B 67 -18.861 24.304 1.537 1.00 19.55 O ATOM 1169 H GLY B 67 -16.548 22.900 -1.347 1.00 0.00 H ATOM 1170 N ASP B 68 -19.844 23.320 -0.268 1.00 16.09 N ATOM 1171 CA ASP B 68 -20.751 22.615 0.507 1.00 20.29 C ATOM 1172 C ASP B 68 -20.289 21.791 1.681 1.00 16.06 C ATOM 1173 O ASP B 68 -19.411 20.880 1.521 1.00 15.52 O ATOM 1174 CB ASP B 68 -21.744 21.879 -0.299 1.00 23.34 C ATOM 1175 CG ASP B 68 -22.480 22.783 -1.345 1.00 23.34 C ATOM 1176 OD1 ASP B 68 -22.482 24.042 -1.245 1.00 23.34 O ATOM 1177 OD2 ASP B 68 -23.042 22.316 -2.344 1.00 23.30 O ATOM 1178 H ASP B 68 -19.953 23.331 -1.302 1.00 0.00 H ATOM 1179 N GLU B 69 -20.879 22.005 2.865 1.00 20.15 N ATOM 1180 CA GLU B 69 -20.489 21.247 4.073 1.00 20.85 C ATOM 1181 C GLU B 69 -21.268 19.906 4.149 1.00 15.57 C ATOM 1182 O GLU B 69 -22.490 19.908 3.835 1.00 17.32 O ATOM 1183 CB GLU B 69 -20.775 22.058 5.386 1.00 16.40 C ATOM 1184 CG GLU B 69 -20.285 21.385 6.696 1.00 17.95 C ATOM 1185 CD GLU B 69 -20.799 22.020 8.006 1.00 19.03 C ATOM 1186 OE1 GLU B 69 -20.668 21.356 8.999 1.00 23.09 O ATOM 1187 OE2 GLU B 69 -21.556 23.014 7.944 1.00 18.77 O ATOM 1188 H GLU B 69 -21.629 22.722 2.936 1.00 0.00 H ATOM 1189 N ILE B 70 -20.537 18.817 4.279 1.00 15.61 N ATOM 1190 CA ILE B 70 -21.251 17.548 4.496 1.00 14.97 C ATOM 1191 C ILE B 70 -21.567 17.331 5.955 1.00 16.24 C ATOM 1192 O ILE B 70 -20.723 17.609 6.826 1.00 15.78 O ATOM 1193 CB ILE B 70 -20.752 16.392 3.637 1.00 18.48 C ATOM 1194 CG1 ILE B 70 -20.055 15.338 4.435 1.00 19.96 C ATOM 1195 CG2 ILE B 70 -19.924 16.822 2.479 1.00 20.74 C ATOM 1196 CD1 ILE B 70 -20.979 14.247 4.682 1.00 22.32 C ATOM 1197 H ILE B 70 -19.499 18.853 4.230 1.00 0.00 H ATOM 1198 N THR B 71 -22.812 16.953 6.231 1.00 15.51 N ATOM 1199 CA THR B 71 -23.233 16.709 7.614 1.00 15.17 C ATOM 1200 C THR B 71 -23.766 15.379 7.992 1.00 17.42 C ATOM 1201 O THR B 71 -23.852 15.047 9.170 1.00 19.50 O ATOM 1202 CB THR B 71 -24.343 17.772 8.066 1.00 15.57 C ATOM 1203 OG1 THR B 71 -25.522 17.600 7.351 1.00 16.20 O ATOM 1204 CG2 THR B 71 -23.816 19.061 7.985 1.00 17.23 C ATOM 1205 HG1 THR B 71 -25.342 17.721 6.385 1.00 0.00 H ATOM 1206 H THR B 71 -23.495 16.829 5.457 1.00 0.00 H ATOM 1207 N GLY B 72 -24.213 14.567 7.029 1.00 16.15 N ATOM 1208 CA GLY B 72 -24.485 13.143 7.328 1.00 15.21 C ATOM 1209 C GLY B 72 -24.606 12.407 5.992 1.00 15.76 C ATOM 1210 O GLY B 72 -24.357 12.994 4.865 1.00 13.97 O ATOM 1211 H GLY B 72 -24.370 14.936 6.069 1.00 0.00 H ATOM 1212 N VAL B 73 -24.923 11.154 6.091 1.00 15.77 N ATOM 1213 CA VAL B 73 -24.686 10.091 5.053 1.00 12.10 C ATOM 1214 C VAL B 73 -25.726 9.001 5.400 1.00 12.44 C ATOM 1215 O VAL B 73 -25.683 8.508 6.550 1.00 10.70 O ATOM 1216 CB VAL B 73 -23.318 9.555 5.109 1.00 17.26 C ATOM 1217 CG1 VAL B 73 -23.264 8.294 4.262 1.00 15.89 C ATOM 1218 CG2 VAL B 73 -22.170 10.667 4.724 1.00 16.03 C ATOM 1219 H VAL B 73 -25.386 10.855 6.973 1.00 0.00 H ATOM 1220 N ASN B 74 -26.807 8.956 4.573 1.00 13.45 N ATOM 1221 CA ASN B 74 -27.921 8.052 4.908 1.00 15.86 C ATOM 1222 C ASN B 74 -28.484 8.150 6.265 1.00 15.36 C ATOM 1223 O ASN B 74 -28.638 7.087 6.861 1.00 15.78 O ATOM 1224 CB ASN B 74 -27.617 6.503 4.615 1.00 17.02 C ATOM 1225 CG ASN B 74 -27.840 6.087 3.135 1.00 18.21 C ATOM 1226 OD1 ASN B 74 -27.897 6.912 2.219 1.00 17.03 O ATOM 1227 ND2 ASN B 74 -27.725 4.766 2.907 1.00 20.78 N ATOM 1228 HD22 ASN B 74 -27.680 4.102 3.706 1.00 0.00 H ATOM 1229 HD21 ASN B 74 -27.681 4.409 1.931 1.00 0.00 H ATOM 1230 H ASN B 74 -26.845 9.549 3.720 1.00 0.00 H ATOM 1231 N GLY B 75 -28.747 9.356 6.790 1.00 13.65 N ATOM 1232 CA GLY B 75 -29.506 9.585 8.086 1.00 15.44 C ATOM 1233 C GLY B 75 -28.532 9.512 9.229 1.00 16.36 C ATOM 1234 O GLY B 75 -29.077 9.371 10.427 1.00 16.53 O ATOM 1235 H GLY B 75 -28.408 10.193 6.274 1.00 0.00 H ATOM 1236 N ARG B 76 -27.246 9.477 9.090 1.00 14.44 N ATOM 1237 CA ARG B 76 -26.207 9.266 10.132 1.00 19.06 C ATOM 1238 C ARG B 76 -25.166 10.359 10.062 1.00 20.68 C ATOM 1239 O ARG B 76 -24.840 10.853 9.006 1.00 16.67 O ATOM 1240 CB ARG B 76 -25.644 7.840 10.090 1.00 22.52 C ATOM 1241 CG ARG B 76 -26.681 6.704 10.369 1.00 25.51 C ATOM 1242 CD ARG B 76 -25.838 5.364 10.373 1.00 31.55 C ATOM 1243 NE ARG B 76 -26.528 4.040 10.524 1.00 40.84 N ATOM 1244 CZ ARG B 76 -25.877 2.914 10.922 1.00 40.82 C ATOM 1245 NH1 ARG B 76 -24.581 2.988 11.228 1.00 48.64 N ATOM 1246 NH2 ARG B 76 -26.494 1.745 11.149 1.00 35.52 N ATOM 1247 HE ARG B 76 -27.545 3.981 10.316 1.00 0.00 H ATOM 1248 HH12 ARG B 76 -24.069 2.136 11.534 1.00 0.00 H ATOM 1249 HH11 ARG B 76 -24.082 3.898 11.161 1.00 0.00 H ATOM 1250 HH22 ARG B 76 -25.943 0.917 11.452 1.00 0.00 H ATOM 1251 HH21 ARG B 76 -27.523 1.667 11.022 1.00 0.00 H ATOM 1252 H ARG B 76 -26.893 9.615 8.122 1.00 0.00 H ATOM 1253 N SER B 77 -24.816 10.894 11.219 1.00 20.31 N ATOM 1254 CA SER B 77 -23.940 12.063 11.304 1.00 17.99 C ATOM 1255 C SER B 77 -22.526 11.642 11.045 1.00 20.24 C ATOM 1256 O SER B 77 -22.146 10.507 11.074 1.00 22.71 O ATOM 1257 CB SER B 77 -24.073 12.808 12.675 1.00 24.16 C ATOM 1258 OG SER B 77 -23.117 13.768 12.780 1.00 21.52 O ATOM 1259 HG SER B 77 -23.224 14.421 12.043 1.00 0.00 H ATOM 1260 H SER B 77 -25.175 10.470 12.098 1.00 0.00 H ATOM 1261 N ILE B 78 -21.721 12.632 10.683 1.00 19.29 N ATOM 1262 CA ILE B 78 -20.317 12.397 10.383 1.00 18.54 C ATOM 1263 C ILE B 78 -19.476 13.150 11.393 1.00 23.01 C ATOM 1264 O ILE B 78 -18.270 13.325 11.218 1.00 26.21 O ATOM 1265 CB ILE B 78 -19.953 12.868 8.964 1.00 17.63 C ATOM 1266 CG1 ILE B 78 -20.551 14.250 8.691 1.00 17.29 C ATOM 1267 CG2 ILE B 78 -20.432 11.861 7.929 1.00 16.76 C ATOM 1268 CD1 ILE B 78 -19.990 15.342 9.575 1.00 22.42 C ATOM 1269 H ILE B 78 -22.102 13.597 10.612 1.00 0.00 H ATOM 1270 N LYS B 79 -20.132 13.593 12.458 1.00 20.79 N ATOM 1271 CA LYS B 79 -19.467 14.333 13.499 1.00 25.38 C ATOM 1272 C LYS B 79 -18.268 13.562 14.038 1.00 24.30 C ATOM 1273 O LYS B 79 -18.398 12.448 14.343 1.00 24.76 O ATOM 1274 CB LYS B 79 -20.352 14.712 14.682 1.00 20.48 C ATOM 1275 CG LYS B 79 -19.677 15.427 15.865 1.00 27.71 C ATOM 1276 CD LYS B 79 -20.675 16.027 16.858 1.00 28.09 C ATOM 1277 CE LYS B 79 -20.192 17.372 17.357 1.00 31.00 C ATOM 1278 NZ LYS B 79 -21.204 18.090 18.160 1.00 35.88 N ATOM 1279 HZ1 LYS B 79 -22.052 18.254 17.581 1.00 0.00 H ATOM 1280 HZ2 LYS B 79 -21.456 17.517 18.991 1.00 0.00 H ATOM 1281 HZ3 LYS B 79 -20.814 19.002 18.472 1.00 0.00 H ATOM 1282 H LYS B 79 -21.151 13.401 12.543 1.00 0.00 H ATOM 1283 N GLY B 80 -17.139 14.235 14.169 1.00 30.14 N ATOM 1284 CA GLY B 80 -15.867 13.639 14.587 1.00 26.24 C ATOM 1285 C GLY B 80 -15.289 12.472 13.907 1.00 30.10 C ATOM 1286 O GLY B 80 -14.399 11.818 14.449 1.00 27.30 O ATOM 1287 H GLY B 80 -17.154 15.254 13.962 1.00 0.00 H ATOM 1288 N LYS B 81 -15.741 12.217 12.619 1.00 29.85 N ATOM 1289 CA LYS B 81 -15.165 11.195 11.731 1.00 30.53 C ATOM 1290 C LYS B 81 -14.021 11.840 10.925 1.00 25.94 C ATOM 1291 O LYS B 81 -13.957 13.072 10.650 1.00 25.14 O ATOM 1292 CB LYS B 81 -16.235 10.723 10.682 1.00 31.33 C ATOM 1293 H LYS B 81 -16.536 12.783 12.260 1.00 0.00 H ATOM 1294 N THR B 82 -13.059 10.978 10.599 1.00 26.99 N ATOM 1295 CA THR B 82 -11.973 11.446 9.797 1.00 27.44 C ATOM 1296 C THR B 82 -12.418 11.441 8.350 1.00 22.30 C ATOM 1297 O THR B 82 -13.401 10.814 8.020 1.00 19.37 O ATOM 1298 CB THR B 82 -10.711 10.675 10.025 1.00 31.13 C ATOM 1299 OG1 THR B 82 -10.814 9.393 9.406 1.00 30.39 O ATOM 1300 CG2 THR B 82 -10.411 10.570 11.537 1.00 27.43 C ATOM 1301 HG1 THR B 82 -9.978 8.886 9.559 1.00 0.00 H ATOM 1302 H THR B 82 -13.097 9.990 10.920 1.00 0.00 H ATOM 1303 N LYS B 83 -11.734 12.196 7.486 1.00 25.19 N ATOM 1304 CA LYS B 83 -12.070 12.138 6.114 1.00 23.54 C ATOM 1305 C LYS B 83 -12.021 10.708 5.566 1.00 22.59 C ATOM 1306 O LYS B 83 -12.920 10.377 4.837 1.00 24.38 O ATOM 1307 CB LYS B 83 -11.224 13.183 5.304 1.00 25.25 C ATOM 1308 CG LYS B 83 -11.196 13.140 3.806 1.00 27.92 C ATOM 1309 CD LYS B 83 -10.086 14.096 3.325 1.00 30.42 C ATOM 1310 CE LYS B 83 -8.715 13.605 3.678 1.00 28.09 C ATOM 1311 NZ LYS B 83 -7.654 13.892 2.629 1.00 30.98 N ATOM 1312 HZ1 LYS B 83 -7.920 13.433 1.734 1.00 0.00 H ATOM 1313 HZ2 LYS B 83 -7.580 14.919 2.484 1.00 0.00 H ATOM 1314 HZ3 LYS B 83 -6.738 13.520 2.953 1.00 0.00 H ATOM 1315 H LYS B 83 -10.967 12.816 7.817 1.00 0.00 H ATOM 1316 N VAL B 84 -11.008 9.897 5.947 1.00 22.80 N ATOM 1317 CA VAL B 84 -10.990 8.523 5.498 1.00 24.02 C ATOM 1318 C VAL B 84 -12.182 7.696 5.954 1.00 24.18 C ATOM 1319 O VAL B 84 -12.536 6.786 5.265 1.00 22.27 O ATOM 1320 CB VAL B 84 -9.541 7.874 5.788 1.00 19.01 C ATOM 1321 CG1 VAL B 84 -9.421 6.255 5.732 1.00 19.48 C ATOM 1322 CG2 VAL B 84 -8.482 8.654 4.997 1.00 22.59 C ATOM 1323 H VAL B 84 -10.248 10.259 6.558 1.00 0.00 H ATOM 1324 N GLU B 85 -12.666 7.939 7.149 1.00 19.33 N ATOM 1325 CA GLU B 85 -13.761 7.259 7.808 1.00 22.66 C ATOM 1326 C GLU B 85 -15.057 7.589 7.053 1.00 23.63 C ATOM 1327 O GLU B 85 -15.769 6.623 6.757 1.00 20.48 O ATOM 1328 CB GLU B 85 -13.795 7.510 9.344 1.00 24.86 C ATOM 1329 CG GLU B 85 -12.651 6.990 10.200 1.00 24.10 C ATOM 1330 CD GLU B 85 -12.914 7.329 11.665 1.00 20.55 C ATOM 1331 OE1 GLU B 85 -13.245 8.468 11.906 1.00 20.86 O ATOM 1332 OE2 GLU B 85 -12.772 6.505 12.629 1.00 24.23 O ATOM 1333 H GLU B 85 -12.212 8.707 7.683 1.00 0.00 H ATOM 1334 N VAL B 86 -15.201 8.804 6.622 1.00 21.92 N ATOM 1335 CA VAL B 86 -16.395 9.233 5.891 1.00 20.84 C ATOM 1336 C VAL B 86 -16.398 8.749 4.438 1.00 18.89 C ATOM 1337 O VAL B 86 -17.526 8.483 3.869 1.00 17.01 O ATOM 1338 CB VAL B 86 -16.592 10.760 5.959 1.00 22.48 C ATOM 1339 CG1 VAL B 86 -17.802 11.300 5.121 1.00 21.13 C ATOM 1340 CG2 VAL B 86 -16.531 11.293 7.338 1.00 23.59 C ATOM 1341 H VAL B 86 -14.445 9.495 6.801 1.00 0.00 H ATOM 1342 N ALA B 87 -15.219 8.651 3.871 1.00 21.23 N ATOM 1343 CA ALA B 87 -15.017 8.058 2.523 1.00 25.22 C ATOM 1344 C ALA B 87 -15.463 6.606 2.577 1.00 21.19 C ATOM 1345 O ALA B 87 -16.288 6.088 1.817 1.00 21.21 O ATOM 1346 CB ALA B 87 -13.511 8.130 2.150 1.00 25.60 C ATOM 1347 H ALA B 87 -14.388 9.004 4.388 1.00 0.00 H ATOM 1348 N LYS B 88 -14.965 5.914 3.602 1.00 23.91 N ATOM 1349 CA LYS B 88 -15.363 4.497 3.854 1.00 27.68 C ATOM 1350 C LYS B 88 -16.902 4.377 3.916 1.00 23.53 C ATOM 1351 O LYS B 88 -17.456 3.586 3.158 1.00 23.86 O ATOM 1352 CB LYS B 88 -14.652 3.873 5.067 1.00 27.67 C ATOM 1353 CG LYS B 88 -13.214 3.473 4.510 1.00 25.97 C ATOM 1354 CD LYS B 88 -11.999 3.844 5.390 1.00 30.13 C ATOM 1355 CE LYS B 88 -10.786 2.948 5.244 1.00 35.18 C ATOM 1356 NZ LYS B 88 -11.163 1.542 5.547 1.00 34.49 N ATOM 1357 HZ1 LYS B 88 -11.521 1.483 6.522 1.00 0.00 H ATOM 1358 HZ2 LYS B 88 -11.903 1.232 4.885 1.00 0.00 H ATOM 1359 HZ3 LYS B 88 -10.328 0.931 5.446 1.00 0.00 H ATOM 1360 H LYS B 88 -14.284 6.372 4.241 1.00 0.00 H ATOM 1361 N MET B 89 -17.509 5.198 4.771 1.00 20.21 N ATOM 1362 CA MET B 89 -18.891 5.290 5.017 1.00 21.90 C ATOM 1363 C MET B 89 -19.736 5.386 3.739 1.00 20.66 C ATOM 1364 O MET B 89 -20.785 4.826 3.656 1.00 25.67 O ATOM 1365 CB MET B 89 -19.148 6.523 5.817 1.00 21.54 C ATOM 1366 CG MET B 89 -20.468 6.591 6.417 1.00 23.12 C ATOM 1367 SD MET B 89 -20.881 8.022 7.443 1.00 27.17 S ATOM 1368 CE MET B 89 -19.444 8.087 8.488 1.00 14.21 C ATOM 1369 H MET B 89 -16.896 5.839 5.314 1.00 0.00 H ATOM 1370 N ILE B 90 -19.299 6.273 2.843 1.00 15.43 N ATOM 1371 CA ILE B 90 -19.917 6.593 1.584 1.00 17.67 C ATOM 1372 C ILE B 90 -19.737 5.419 0.570 1.00 17.39 C ATOM 1373 O ILE B 90 -20.741 5.036 -0.104 1.00 18.86 O ATOM 1374 CB ILE B 90 -19.519 7.971 1.024 1.00 16.82 C ATOM 1375 CG1 ILE B 90 -20.012 9.166 1.897 1.00 15.88 C ATOM 1376 CG2 ILE B 90 -20.051 8.135 -0.403 1.00 18.16 C ATOM 1377 CD1 ILE B 90 -19.565 10.528 1.484 1.00 19.05 C ATOM 1378 H ILE B 90 -18.424 6.784 3.078 1.00 0.00 H ATOM 1379 N GLN B 91 -18.585 4.830 0.493 1.00 15.14 N ATOM 1380 CA GLN B 91 -18.265 3.820 -0.493 1.00 17.09 C ATOM 1381 C GLN B 91 -19.009 2.567 -0.238 1.00 20.42 C ATOM 1382 O GLN B 91 -19.378 1.819 -1.177 1.00 21.64 O ATOM 1383 CB GLN B 91 -16.765 3.605 -0.389 1.00 20.41 C ATOM 1384 CG GLN B 91 -15.922 4.687 -1.081 1.00 16.52 C ATOM 1385 CD GLN B 91 -14.450 4.584 -0.699 1.00 23.19 C ATOM 1386 OE1 GLN B 91 -14.081 3.664 -0.009 1.00 31.16 O ATOM 1387 NE2 GLN B 91 -13.602 5.469 -1.259 1.00 25.05 N ATOM 1388 HE22 GLN B 91 -13.972 6.244 -1.845 1.00 0.00 H ATOM 1389 HE21 GLN B 91 -12.578 5.377 -1.105 1.00 0.00 H ATOM 1390 H GLN B 91 -17.850 5.098 1.178 1.00 0.00 H ATOM 1391 N GLU B 92 -19.173 2.320 1.083 1.00 18.71 N ATOM 1392 CA GLU B 92 -19.895 1.100 1.462 1.00 24.35 C ATOM 1393 C GLU B 92 -21.359 1.077 1.126 1.00 23.61 C ATOM 1394 O GLU B 92 -21.912 0.040 0.996 1.00 20.03 O ATOM 1395 CB GLU B 92 -19.610 0.680 2.907 1.00 20.03 C ATOM 1396 CG GLU B 92 -18.113 0.475 3.154 1.00 34.04 C ATOM 1397 CD GLU B 92 -17.814 0.083 4.642 1.00 42.58 C ATOM 1398 OE1 GLU B 92 -18.741 0.184 5.476 1.00 49.67 O ATOM 1399 OE2 GLU B 92 -16.670 -0.359 4.964 1.00 62.04 O ATOM 1400 H GLU B 92 -18.801 2.971 1.803 1.00 0.00 H ATOM 1401 N VAL B 93 -21.998 2.191 0.987 1.00 21.92 N ATOM 1402 CA VAL B 93 -23.382 2.328 0.799 1.00 19.98 C ATOM 1403 C VAL B 93 -23.430 2.045 -0.710 1.00 21.73 C ATOM 1404 O VAL B 93 -22.820 2.837 -1.478 1.00 26.44 O ATOM 1405 CB VAL B 93 -23.867 3.728 1.298 1.00 19.13 C ATOM 1406 CG1 VAL B 93 -25.215 3.990 0.677 1.00 22.55 C ATOM 1407 CG2 VAL B 93 -23.904 3.765 2.826 1.00 23.54 C ATOM 1408 H VAL B 93 -21.436 3.066 1.017 1.00 0.00 H ATOM 1409 N LYS B 94 -24.096 0.938 -1.178 1.00 20.12 N ATOM 1410 CA LYS B 94 -24.238 0.674 -2.611 1.00 19.92 C ATOM 1411 C LYS B 94 -25.558 1.112 -3.308 1.00 16.94 C ATOM 1412 O LYS B 94 -26.436 1.603 -2.657 1.00 21.01 O ATOM 1413 CB LYS B 94 -23.973 -0.850 -2.875 1.00 21.14 C ATOM 1414 CG LYS B 94 -22.727 -1.505 -2.183 1.00 20.05 C ATOM 1415 CD LYS B 94 -21.511 -0.700 -2.226 1.00 19.51 C ATOM 1416 CE LYS B 94 -20.369 -1.522 -1.568 1.00 23.99 C ATOM 1417 NZ LYS B 94 -19.041 -1.015 -1.734 1.00 21.79 N ATOM 1418 HZ1 LYS B 94 -18.813 -0.970 -2.748 1.00 0.00 H ATOM 1419 HZ2 LYS B 94 -18.981 -0.062 -1.321 1.00 0.00 H ATOM 1420 HZ3 LYS B 94 -18.368 -1.645 -1.253 1.00 0.00 H ATOM 1421 H LYS B 94 -24.510 0.270 -0.497 1.00 0.00 H ATOM 1422 N GLY B 95 -25.579 1.151 -4.647 1.00 20.09 N ATOM 1423 CA GLY B 95 -26.782 1.593 -5.396 1.00 19.29 C ATOM 1424 C GLY B 95 -26.967 3.101 -5.505 1.00 15.40 C ATOM 1425 O GLY B 95 -26.802 3.746 -6.528 1.00 17.39 O ATOM 1426 H GLY B 95 -24.730 0.864 -5.175 1.00 0.00 H ATOM 1427 N GLU B 96 -27.293 3.699 -4.380 1.00 17.88 N ATOM 1428 CA GLU B 96 -27.590 5.133 -4.226 1.00 17.72 C ATOM 1429 C GLU B 96 -27.226 5.484 -2.753 1.00 18.40 C ATOM 1430 O GLU B 96 -27.370 4.592 -1.850 1.00 18.93 O ATOM 1431 CB GLU B 96 -29.040 5.605 -4.428 1.00 20.22 C ATOM 1432 CG GLU B 96 -29.990 5.093 -3.366 1.00 22.17 C ATOM 1433 CD GLU B 96 -31.511 5.192 -3.580 1.00 22.72 C ATOM 1434 OE1 GLU B 96 -31.944 5.409 -4.729 1.00 26.48 O ATOM 1435 OE2 GLU B 96 -32.258 4.992 -2.578 1.00 27.39 O ATOM 1436 H GLU B 96 -27.346 3.108 -3.526 1.00 0.00 H ATOM 1437 N VAL B 97 -26.901 6.763 -2.492 1.00 17.41 N ATOM 1438 CA VAL B 97 -26.609 7.237 -1.209 1.00 15.50 C ATOM 1439 C VAL B 97 -27.200 8.652 -1.027 1.00 14.77 C ATOM 1440 O VAL B 97 -27.117 9.547 -1.938 1.00 13.83 O ATOM 1441 CB VAL B 97 -25.106 7.167 -0.926 1.00 12.47 C ATOM 1442 CG1 VAL B 97 -24.358 8.041 -1.858 1.00 16.78 C ATOM 1443 CG2 VAL B 97 -24.656 7.596 0.446 1.00 17.32 C ATOM 1444 H VAL B 97 -26.865 7.434 -3.286 1.00 0.00 H ATOM 1445 N THR B 98 -27.485 8.967 0.206 1.00 13.69 N ATOM 1446 CA THR B 98 -28.130 10.325 0.531 1.00 13.02 C ATOM 1447 C THR B 98 -27.142 11.116 1.339 1.00 15.47 C ATOM 1448 O THR B 98 -26.692 10.717 2.460 1.00 15.19 O ATOM 1449 CB THR B 98 -29.432 10.295 1.274 1.00 13.41 C ATOM 1450 OG1 THR B 98 -30.324 9.369 0.534 1.00 18.54 O ATOM 1451 CG2 THR B 98 -30.007 11.762 1.752 1.00 15.74 C ATOM 1452 HG1 THR B 98 -29.913 8.469 0.506 1.00 0.00 H ATOM 1453 H THR B 98 -27.275 8.297 0.973 1.00 0.00 H ATOM 1454 N ILE B 99 -26.693 12.258 0.779 1.00 13.35 N ATOM 1455 CA ILE B 99 -25.721 13.100 1.374 1.00 14.93 C ATOM 1456 C ILE B 99 -26.614 14.274 1.972 1.00 13.04 C ATOM 1457 O ILE B 99 -27.510 14.886 1.318 1.00 20.94 O ATOM 1458 CB ILE B 99 -24.690 13.613 0.258 1.00 19.00 C ATOM 1459 CG1 ILE B 99 -23.874 12.418 -0.407 1.00 16.17 C ATOM 1460 CG2 ILE B 99 -23.632 14.635 0.817 1.00 22.61 C ATOM 1461 CD1 ILE B 99 -22.940 11.782 0.414 1.00 16.68 C ATOM 1462 H ILE B 99 -27.083 12.537 -0.144 1.00 0.00 H ATOM 1463 N HIS B 100 -26.379 14.499 3.281 1.00 13.18 N ATOM 1464 CA HIS B 100 -26.964 15.603 4.077 1.00 14.02 C ATOM 1465 C HIS B 100 -25.949 16.769 4.039 1.00 15.88 C ATOM 1466 O HIS B 100 -24.710 16.517 4.335 1.00 14.84 O ATOM 1467 CB HIS B 100 -27.275 15.151 5.501 1.00 16.83 C ATOM 1468 CG HIS B 100 -28.218 13.988 5.572 1.00 16.37 C ATOM 1469 ND1 HIS B 100 -29.508 14.196 6.013 1.00 18.89 N ATOM 1470 CD2 HIS B 100 -28.066 12.648 5.326 1.00 15.69 C ATOM 1471 CE1 HIS B 100 -30.104 13.008 6.073 1.00 18.89 C ATOM 1472 NE2 HIS B 100 -29.307 12.053 5.569 1.00 14.54 N ATOM 1473 H HIS B 100 -25.736 13.845 3.771 1.00 0.00 H ATOM 1474 N TYR B 101 -26.319 17.893 3.657 1.00 14.27 N ATOM 1475 CA TYR B 101 -25.369 19.029 3.463 1.00 14.90 C ATOM 1476 C TYR B 101 -25.920 20.375 4.063 1.00 14.94 C ATOM 1477 O TYR B 101 -27.108 20.582 4.140 1.00 21.00 O ATOM 1478 CB TYR B 101 -24.909 19.193 2.017 1.00 16.39 C ATOM 1479 CG TYR B 101 -26.080 19.432 1.125 1.00 17.44 C ATOM 1480 CD1 TYR B 101 -26.609 20.787 0.951 1.00 20.54 C ATOM 1481 CD2 TYR B 101 -26.843 18.406 0.621 1.00 18.86 C ATOM 1482 CE1 TYR B 101 -27.693 21.012 0.065 1.00 22.46 C ATOM 1483 CE2 TYR B 101 -28.030 18.673 -0.139 1.00 20.60 C ATOM 1484 CZ TYR B 101 -28.414 19.975 -0.402 1.00 26.92 C ATOM 1485 OH TYR B 101 -29.568 20.198 -1.179 1.00 25.01 O ATOM 1486 HH TYR B 101 -30.351 19.791 -0.729 1.00 0.00 H ATOM 1487 H TYR B 101 -27.329 18.048 3.465 1.00 0.00 H ATOM 1488 N ASN B 102 -25.061 21.370 4.226 1.00 16.99 N ATOM 1489 CA ASN B 102 -25.408 22.863 4.441 1.00 17.47 C ATOM 1490 C ASN B 102 -24.727 23.535 3.214 1.00 20.53 C ATOM 1491 O ASN B 102 -23.485 23.404 3.095 1.00 22.19 O ATOM 1492 CB ASN B 102 -24.733 23.440 5.668 1.00 17.86 C ATOM 1493 CG ASN B 102 -25.186 22.778 6.955 1.00 19.86 C ATOM 1494 OD1 ASN B 102 -26.324 22.426 7.091 1.00 23.21 O ATOM 1495 ND2 ASN B 102 -24.339 22.745 7.925 1.00 16.23 N ATOM 1496 HD22 ASN B 102 -23.359 23.058 7.771 1.00 0.00 H ATOM 1497 HD21 ASN B 102 -24.635 22.405 8.862 1.00 0.00 H ATOM 1498 H ASN B 102 -24.051 21.123 4.208 1.00 0.00 H ATOM 1499 N LYS B 103 -25.534 24.119 2.363 1.00 21.02 N ATOM 1500 CA LYS B 103 -25.071 24.805 1.100 1.00 26.64 C ATOM 1501 C LYS B 103 -24.202 25.983 1.281 1.00 28.07 C ATOM 1502 O LYS B 103 -24.476 26.843 2.178 1.00 35.53 O ATOM 1503 CB LYS B 103 -26.283 25.307 0.311 1.00 34.44 C ATOM 1504 CG LYS B 103 -26.747 24.425 -0.799 1.00 35.16 C ATOM 1505 CD LYS B 103 -26.023 24.721 -2.108 1.00 34.42 C ATOM 1506 CE LYS B 103 -25.961 23.469 -2.889 1.00 36.61 C ATOM 1507 NZ LYS B 103 -25.100 23.660 -4.057 1.00 31.00 N ATOM 1508 HZ1 LYS B 103 -25.488 24.420 -4.652 1.00 0.00 H ATOM 1509 HZ2 LYS B 103 -24.143 23.919 -3.742 1.00 0.00 H ATOM 1510 HZ3 LYS B 103 -25.059 22.776 -4.604 1.00 0.00 H ATOM 1511 H LYS B 103 -26.553 24.110 2.569 1.00 0.00 H ATOM 1512 N LEU B 104 -23.139 26.108 0.481 1.00 34.71 N ATOM 1513 CA LEU B 104 -22.028 27.117 0.744 1.00 30.14 C ATOM 1514 C LEU B 104 -22.527 28.484 1.164 1.00 31.06 C ATOM 1515 O LEU B 104 -23.404 28.999 0.487 1.00 35.79 O ATOM 1516 CB LEU B 104 -21.202 27.352 -0.542 1.00 23.43 C ATOM 1517 CG LEU B 104 -19.894 28.189 -0.567 1.00 20.75 C ATOM 1518 CD1 LEU B 104 -18.863 28.023 0.546 1.00 20.48 C ATOM 1519 CD2 LEU B 104 -19.112 28.114 -1.832 1.00 23.81 C ATOM 1520 H LEU B 104 -23.067 25.492 -0.354 1.00 0.00 H TER 1521 LEU B 104 HETATM 1522 O HOH 1 -17.331 31.601 -0.484 1.00 54.13 O HETATM 1523 O HOH 2 -8.313 20.472 -5.225 1.00 43.48 O HETATM 1524 O HOH 3 7.195 36.537 -1.596 1.00 44.16 O HETATM 1525 O HOH 4 -18.514 32.864 8.393 1.00 52.00 O HETATM 1526 O HOH 5 -4.473 26.622 -11.913 1.00 35.73 O HETATM 1527 O HOH 6 1.944 28.315 5.901 1.00 36.84 O HETATM 1528 O HOH 7 -4.236 45.851 -5.970 1.00 32.35 O HETATM 1529 O HOH 8 -9.687 27.055 -11.989 1.00 47.99 O HETATM 1530 O HOH 9 3.353 34.250 -7.815 1.00 41.01 O HETATM 1531 O HOH 10 0.206 26.812 7.218 1.00 36.06 O HETATM 1532 O HOH 11 1.673 43.297 0.162 1.00 39.57 O HETATM 1533 O HOH 12 -8.793 28.107 -12.395 1.00 38.29 O HETATM 1534 O HOH 13 -9.776 20.571 2.567 1.00 36.37 O HETATM 1535 O HOH 14 4.583 42.128 -0.242 1.00 41.48 O HETATM 1536 O HOH 15 -4.867 43.070 5.406 1.00 37.06 O HETATM 1537 O HOH 16 -4.642 22.598 10.017 1.00 41.73 O HETATM 1538 O HOH 17 3.546 40.062 0.995 1.00 38.88 O HETATM 1539 O HOH 18 1.064 36.396 -9.055 1.00 34.29 O HETATM 1540 O HOH 19 -8.160 20.439 7.477 1.00 38.42 O HETATM 1541 O HOH 20 3.919 32.522 -10.673 1.00 45.71 O HETATM 1542 O HOH 21 -8.804 24.289 -7.586 1.00 35.05 O HETATM 1543 O HOH 22 4.158 36.700 4.445 1.00 37.43 O HETATM 1544 O HOH 23 -8.494 40.977 -3.182 1.00 32.50 O HETATM 1545 O HOH 24 -12.528 31.197 12.256 1.00 41.92 O HETATM 1546 O HOH 25 -0.099 34.511 -11.316 1.00 34.91 O HETATM 1547 O HOH 26 -5.561 24.641 11.522 1.00 46.01 O HETATM 1548 O HOH 27 -1.732 29.935 -6.841 1.00 36.11 O HETATM 1549 O HOH 28 -5.766 49.350 1.286 1.00 42.88 O HETATM 1550 O HOH 29 -13.869 24.767 -6.903 1.00 36.49 O HETATM 1551 O HOH 30 -13.604 23.445 -2.719 1.00 34.52 O HETATM 1552 O HOH 31 -17.900 39.333 9.852 1.00 43.99 O HETATM 1553 O HOH 32 -13.392 29.764 -13.433 1.00 42.84 O HETATM 1554 O HOH 33 -11.297 25.785 -8.351 1.00 32.49 O HETATM 1555 O HOH 34 -17.062 29.143 -5.075 1.00 40.99 O HETATM 1556 O HOH 35 -7.931 27.102 19.522 1.00 57.15 O HETATM 1557 O HOH 36 -4.950 42.471 -14.581 1.00 42.73 O HETATM 1558 O HOH 37 -9.417 44.053 6.980 1.00 52.50 O HETATM 1559 O HOH 38 -7.330 38.421 -13.840 1.00 48.56 O HETATM 1560 O HOH 39 -7.823 27.971 8.821 1.00 32.63 O HETATM 1561 O HOH 40 3.130 30.238 7.368 1.00 43.88 O HETATM 1562 O HOH 41 6.080 33.786 -0.542 1.00 40.71 O HETATM 1563 O HOH 42 -14.619 41.794 -5.064 1.00 42.93 O HETATM 1564 O HOH 43 -1.687 24.950 10.547 1.00 42.74 O HETATM 1565 O HOH 44 -1.204 47.576 0.326 1.00 40.85 O HETATM 1566 O HOH 45 6.098 27.609 0.788 1.00 40.02 O HETATM 1567 O HOH 46 -12.717 33.598 -13.728 1.00 45.96 O HETATM 1568 O HOH 47 6.002 33.240 -3.630 1.00 40.93 O HETATM 1569 O HOH 48 0.844 42.639 7.560 1.00 44.16 O HETATM 1570 O HOH 49 6.739 35.766 3.177 1.00 52.15 O HETATM 1571 O HOH 50 3.472 29.929 -12.236 1.00 48.11 O HETATM 1572 O HOH 51 -5.969 21.640 3.548 1.00 38.81 O HETATM 1573 O HOH 52 2.074 31.574 -14.593 1.00 48.50 O HETATM 1574 O HOH 53 -18.943 29.769 -9.149 1.00 58.24 O HETATM 1575 O HOH 54 -18.533 35.509 7.434 1.00 39.66 O HETATM 1576 O HOH 55 -10.246 37.134 -14.455 1.00 54.58 O HETATM 1577 O HOH 56 -13.009 24.126 -7.373 1.00 72.55 O HETATM 1578 O HOH 57 -2.295 47.186 -7.543 1.00 37.60 O HETATM 1579 O HOH 58 1.867 33.216 -12.476 1.00 37.69 O HETATM 1580 O HOH 59 -11.707 34.020 -20.351 1.00 50.54 O HETATM 1581 O HOH 60 -3.828 46.183 4.726 1.00 45.47 O HETATM 1582 O HOH 61 -18.301 30.205 -11.497 1.00 48.93 O HETATM 1583 O HOH 62 -13.229 23.314 0.219 1.00 62.85 O HETATM 1584 O HOH 63 -14.007 32.606 16.826 1.00 52.91 O HETATM 1585 O HOH 64 -15.404 32.863 13.720 1.00 54.52 O HETATM 1586 O HOH 65 -5.547 29.016 12.508 1.00 48.14 O HETATM 1587 O HOH 66 -7.850 29.007 11.353 1.00 42.26 O HETATM 1588 O HOH 67 -14.588 24.878 2.924 1.00 38.52 O HETATM 1589 O HOH 68 -0.981 40.017 14.266 1.00 48.57 O HETATM 1590 O HOH 69 0.026 46.762 -9.102 1.00 36.04 O HETATM 1591 O HOH 70 -20.860 29.653 18.539 1.00 55.20 O HETATM 1592 O HOH 71 -12.400 37.213 -14.678 1.00 42.05 O HETATM 1593 O HOH 72 0.045 33.850 -15.700 1.00 50.16 O HETATM 1594 O HOH 73 -8.545 27.594 14.106 1.00 46.27 O HETATM 1595 O HOH 74 -9.491 18.152 16.030 1.00 48.24 O HETATM 1596 O HOH 75 -21.844 3.360 5.277 1.00 41.73 O HETATM 1597 O HOH 76 -14.512 13.456 -14.062 1.00 45.15 O HETATM 1598 O HOH 77 -17.077 16.721 12.312 1.00 50.72 O HETATM 1599 O HOH 78 -32.738 12.337 -0.350 1.00 50.66 O HETATM 1600 O HOH 79 -30.195 6.923 0.875 1.00 37.27 O HETATM 1601 O HOH 80 -9.381 13.562 8.218 1.00 50.01 O HETATM 1602 O HOH 81 -27.122 0.361 -0.619 1.00 42.48 O HETATM 1603 O HOH 82 -23.303 19.039 -8.794 1.00 48.70 O HETATM 1604 O HOH 83 -22.524 20.117 -11.969 1.00 39.83 O HETATM 1605 O HOH 84 -25.281 26.770 4.904 1.00 49.12 O HETATM 1606 O HOH 85 -33.760 15.319 -1.107 1.00 45.97 O HETATM 1607 O HOH 86 -18.658 5.937 -3.316 1.00 32.78 O HETATM 1608 O HOH 87 -26.465 2.843 -8.945 1.00 42.28 O HETATM 1609 O HOH 88 -13.249 21.862 -6.989 1.00 41.34 O HETATM 1610 O HOH 89 -16.539 14.481 9.717 1.00 46.05 O HETATM 1611 O HOH 90 -10.077 17.158 -5.361 1.00 40.83 O HETATM 1612 O HOH 91 -23.595 19.082 18.327 1.00 44.07 O HETATM 1613 O HOH 92 -31.361 4.206 -0.273 1.00 37.03 O HETATM 1614 O HOH 93 -17.116 -0.771 -0.008 1.00 50.20 O HETATM 1615 O HOH 94 -16.273 4.668 8.411 1.00 42.99 O HETATM 1616 O HOH 95 -28.598 3.579 0.219 1.00 35.38 O HETATM 1617 O HOH 96 -15.848 1.309 -3.826 1.00 57.75 O HETATM 1618 O HOH 97 -22.536 18.102 15.878 1.00 50.35 O HETATM 1619 O HOH 98 -26.912 12.151 -11.291 1.00 36.15 O HETATM 1620 O HOH 99 -8.882 7.579 9.555 1.00 44.56 O HETATM 1621 O HOH 100 -17.366 26.292 2.489 1.00 38.03 O HETATM 1622 O HOH 101 -31.598 18.895 -2.328 1.00 47.39 O HETATM 1623 O HOH 102 -19.936 14.574 -21.504 1.00 38.31 O HETATM 1624 O HOH 103 -27.875 3.212 12.958 1.00 52.43 O HETATM 1625 O HOH 104 -15.628 20.917 -8.215 1.00 30.73 O HETATM 1626 O HOH 105 -17.984 18.931 -12.245 1.00 35.47 O HETATM 1627 O HOH 106 -25.361 5.851 7.172 1.00 46.82 O HETATM 1628 O HOH 107 -21.645 22.567 11.266 1.00 58.24 O HETATM 1629 O HOH 108 -13.565 12.338 17.021 1.00 54.17 O HETATM 1630 O HOH 109 -14.028 19.011 -11.402 1.00 34.85 O HETATM 1631 O HOH 110 -23.258 16.304 11.707 1.00 44.28 O HETATM 1632 O HOH 111 -8.308 15.502 6.761 1.00 42.87 O HETATM 1633 O HOH 112 -19.190 18.858 8.775 1.00 32.63 O HETATM 1634 O HOH 113 -28.882 3.721 -10.158 1.00 45.91 O HETATM 1635 O HOH 114 -32.814 13.494 -3.654 1.00 44.64 O HETATM 1636 O HOH 115 -26.894 3.046 4.952 1.00 39.89 O HETATM 1637 O HOH 116 -18.311 22.464 -7.615 1.00 34.85 O HETATM 1638 O HOH 117 -7.994 16.755 -8.705 1.00 51.30 O HETATM 1639 O HOH 118 -20.958 -2.583 1.420 1.00 37.67 O HETATM 1640 O HOH 119 -25.193 16.835 -6.837 1.00 28.88 O HETATM 1641 O HOH 120 -30.459 16.465 7.419 1.00 43.71 O HETATM 1642 O HOH 121 -20.429 -2.084 5.682 1.00 63.09 O HETATM 1643 O HOH 122 -19.394 8.115 -14.012 1.00 56.89 O HETATM 1644 O HOH 123 -14.500 15.570 12.018 1.00 41.03 O HETATM 1645 O HOH 124 -28.960 18.553 6.066 1.00 37.10 O HETATM 1646 O HOH 125 -28.201 10.515 -9.128 1.00 37.42 O HETATM 1647 O HOH 126 -26.137 11.364 -8.540 1.00100.00 O HETATM 1648 O HOH 127 -18.008 26.541 -5.077 1.00 45.03 O HETATM 1649 O HOH 128 -22.600 8.022 12.471 1.00 53.90 O HETATM 1650 O HOH 129 -25.463 -0.571 0.874 1.00 42.84 O HETATM 1651 O HOH 130 -22.774 1.008 -5.888 1.00 32.88 O HETATM 1652 O HOH 131 -24.219 25.737 -5.946 1.00 51.93 O HETATM 1653 O HOH 132 -13.647 17.018 -13.335 1.00 35.73 O HETATM 1654 O HOH 133 -18.837 26.409 7.172 1.00 44.48 O HETATM 1655 O HOH 134 -8.442 19.070 4.355 1.00 47.47 O HETATM 1656 O HOH 135 -19.232 5.466 -16.070 1.00 52.87 O HETATM 1657 O HOH 136 -30.145 2.630 -6.046 1.00 37.13 O HETATM 1658 O HOH 137 -23.782 4.402 13.872 1.00 44.17 O HETATM 1659 O HOH 138 -22.480 9.578 -14.533 1.00 41.68 O HETATM 1660 O HOH 139 -25.257 21.496 10.659 1.00 47.24 O HETATM 1661 O HOH 140 -8.531 11.198 7.428 1.00 43.63 O HETATM 1662 O HOH 141 -20.793 21.183 -8.953 1.00 42.90 O HETATM 1663 O HOH 142 -24.963 -0.166 -7.711 1.00 36.81 O HETATM 1664 O HOH 143 -5.556 17.398 17.294 1.00 52.34 O HETATM 1665 O HOH 144 -22.416 5.743 11.729 1.00 50.80 O HETATM 1666 O HOH 145 -33.682 10.580 2.951 1.00 44.57 O HETATM 1667 O HOH 146 -28.706 13.235 -12.999 1.00 37.37 O HETATM 1668 O HOH 147 -12.161 14.572 -13.878 1.00 43.08 O HETATM 1669 O HOH 148 -12.406 15.113 13.783 1.00 52.44 O HETATM 1670 O HOH 149 -19.240 18.055 11.345 1.00 41.22 O HETATM 1671 O HOH 150 -16.368 21.975 -10.778 1.00 46.15 O HETATM 1672 O HOH 151 -20.305 21.135 12.955 1.00 59.64 O HETATM 1673 O HOH 152 -17.119 18.147 15.345 1.00 44.64 O HETATM 1674 O HOH 153 -22.761 23.730 -9.012 1.00 40.36 O HETATM 1675 O HOH 154 -25.063 -0.664 3.654 1.00 47.73 O HETATM 1676 O HOH 155 -14.211 6.083 -11.998 1.00 52.25 O HETATM 1677 O HOH 156 -12.423 21.877 2.615 1.00 43.59 O HETATM 1678 O HOH 157 -19.530 20.661 -11.573 1.00 38.75 O HETATM 1679 O HOH 158 -19.641 18.479 22.248 1.00 51.62 O HETATM 1680 O HOH 159 -20.837 -3.641 3.603 1.00 47.03 O HETATM 1681 O HOH 160 -28.418 4.916 -12.429 1.00 48.64 O HETATM 1682 C1 DUY A 161 -14.806 37.309 -8.753 1.00 0.20 C HETATM 1683 C2 DUY A 161 -14.185 36.116 -9.520 1.00 0.14 C HETATM 1684 C10 DUY A 161 -12.785 36.293 -10.107 1.00 -0.01 C HETATM 1685 C9 DUY A 161 -13.012 36.828 -11.520 1.00 -0.03 C HETATM 1686 C8 DUY A 161 -14.430 36.357 -11.816 1.00 0.04 C HETATM 1687 N DUY A 161 -15.094 35.971 -10.617 1.00 -0.23 N HETATM 1688 C3 DUY A 161 -16.420 35.511 -10.530 1.00 0.32 C HETATM 1689 O DUY A 161 -16.868 35.181 -9.273 1.00 -0.26 O HETATM 1690 C DUY A 161 -18.101 35.310 -8.919 1.00 0.09 C HETATM 1691 C5 DUY A 161 -18.259 35.166 -7.407 1.00 -0.03 C HETATM 1692 H2 DUY A 161 -19.319 35.281 -7.137 1.00 0.03 H HETATM 1693 H3 DUY A 161 -17.666 35.942 -6.901 1.00 0.03 H HETATM 1694 H4 DUY A 161 -17.906 34.172 -7.095 1.00 0.03 H HETATM 1695 C6 DUY A 161 -18.936 34.153 -9.449 1.00 -0.03 C HETATM 1696 H5 DUY A 161 -18.901 34.149 -10.548 1.00 0.03 H HETATM 1697 H6 DUY A 161 -19.978 34.270 -9.116 1.00 0.03 H HETATM 1698 H7 DUY A 161 -18.532 33.204 -9.066 1.00 0.03 H HETATM 1699 C7 DUY A 161 -18.793 36.594 -9.370 1.00 -0.03 C HETATM 1700 H8 DUY A 161 -18.224 37.463 -9.009 1.00 0.03 H HETATM 1701 H9 DUY A 161 -19.812 36.626 -8.957 1.00 0.03 H HETATM 1702 H10 DUY A 161 -18.842 36.618 -10.469 1.00 0.03 H HETATM 1703 O3 DUY A 161 -17.151 35.421 -11.504 1.00 -0.38 O HETATM 1704 H11 DUY A 161 -14.389 35.496 -12.499 1.00 0.05 H HETATM 1705 H12 DUY A 161 -14.990 37.176 -12.291 1.00 0.05 H HETATM 1706 H13 DUY A 161 -12.942 37.925 -11.547 1.00 0.03 H HETATM 1707 H14 DUY A 161 -12.292 36.397 -12.231 1.00 0.03 H HETATM 1708 H15 DUY A 161 -12.255 35.330 -10.139 1.00 0.03 H HETATM 1709 H16 DUY A 161 -12.204 37.012 -9.511 1.00 0.03 H HETATM 1710 H1 DUY A 161 -14.181 35.226 -8.874 1.00 0.08 H HETATM 1711 OH DUY A 161 -15.534 38.170 -9.252 1.00 -0.39 O HETATM 1712 N2 DUY A 161 -14.615 37.310 -7.363 1.00 -0.27 N HETATM 1713 CE1 DUY A 161 -14.960 38.498 -6.594 1.00 0.03 C HETATM 1714 CD1 DUY A 161 -15.464 38.164 -5.217 1.00 -0.04 C HETATM 1715 CG DUY A 161 -14.496 37.291 -4.423 1.00 0.05 C HETATM 1716 CB DUY A 161 -13.371 38.242 -4.112 1.00 0.17 C HETATM 1717 O6 DUY A 161 -13.371 39.421 -3.749 1.00 -0.36 O HETATM 1718 N3 DUY A 161 -12.069 38.055 -3.889 1.00 -0.28 N HETATM 1719 C15 DUY A 161 -10.842 37.487 -3.585 1.00 0.10 C HETATM 1720 C16 DUY A 161 -10.398 37.761 -2.150 1.00 -0.01 C HETATM 1721 C17 DUY A 161 -11.433 38.058 -1.012 1.00 -0.05 C HETATM 1722 C18 DUY A 161 -11.983 36.703 -0.567 1.00 -0.05 C HETATM 1723 C19 DUY A 161 -10.834 35.738 -0.835 1.00 -0.05 C HETATM 1724 C20 DUY A 161 -9.787 36.506 -1.643 1.00 -0.05 C HETATM 1725 H25 DUY A 161 -8.928 36.747 -1.000 1.00 0.03 H HETATM 1726 H26 DUY A 161 -9.450 35.891 -2.490 1.00 0.03 H HETATM 1727 H23 DUY A 161 -11.194 34.872 -1.409 1.00 0.03 H HETATM 1728 H24 DUY A 161 -10.400 35.393 0.115 1.00 0.03 H HETATM 1729 H21 DUY A 161 -12.871 36.428 -1.155 1.00 0.03 H HETATM 1730 H22 DUY A 161 -12.242 36.717 0.502 1.00 0.03 H HETATM 1731 H19 DUY A 161 -12.247 38.693 -1.393 1.00 0.03 H HETATM 1732 H20 DUY A 161 -10.938 38.563 -0.170 1.00 0.03 H HETATM 1733 H18 DUY A 161 -9.669 38.584 -2.183 1.00 0.03 H HETATM 1734 C21 DUY A 161 -9.761 37.704 -4.588 1.00 0.06 C HETATM 1735 O4 DUY A 161 -8.797 38.491 -4.333 1.00 -0.57 O HETATM 1736 O5 DUY A 161 -9.947 36.851 -5.475 1.00 -0.57 O HETATM 1737 H17 DUY A 161 -11.029 36.404 -3.619 1.00 0.07 H HETATM 1738 H31 DUY A 161 -11.756 38.987 -4.069 1.00 0.19 H HETATM 1739 CD2 DUY A 161 -15.022 36.890 -3.036 1.00 -0.04 C HETATM 1740 CE2 DUY A 161 -15.283 35.553 -2.698 1.00 -0.04 C HETATM 1741 C24 DUY A 161 -15.655 35.211 -1.418 1.00 -0.02 C HETATM 1742 C25 DUY A 161 -15.855 36.260 -0.519 1.00 0.04 C HETATM 1743 BR1 DUY A 161 -16.458 35.900 1.310 1.00 -0.02 BR HETATM 1744 C26 DUY A 161 -15.666 37.593 -0.774 1.00 -0.02 C HETATM 1745 C27 DUY A 161 -15.253 37.864 -2.081 1.00 -0.04 C HETATM 1746 H35 DUY A 161 -15.105 38.900 -2.364 1.00 0.09 H HETATM 1747 H34 DUY A 161 -15.822 38.366 -0.030 1.00 0.07 H HETATM 1748 H33 DUY A 161 -15.786 34.176 -1.122 1.00 0.07 H HETATM 1749 H32 DUY A 161 -15.191 34.781 -3.454 1.00 0.09 H HETATM 1750 C28 DUY A 161 -14.105 36.148 -5.431 1.00 -0.04 C HETATM 1751 C29 DUY A 161 -13.537 36.605 -6.792 1.00 0.03 C HETATM 1752 H38 DUY A 161 -12.664 37.260 -6.656 1.00 0.05 H HETATM 1753 H39 DUY A 161 -13.255 35.742 -7.413 1.00 0.05 H HETATM 1754 H36 DUY A 161 -15.007 35.550 -5.628 1.00 0.02 H HETATM 1755 H37 DUY A 161 -13.346 35.517 -4.945 1.00 0.02 H HETATM 1756 H29 DUY A 161 -16.420 37.629 -5.314 1.00 0.02 H HETATM 1757 H30 DUY A 161 -15.623 39.102 -4.665 1.00 0.02 H HETATM 1758 H27 DUY A 161 -15.743 39.052 -7.132 1.00 0.05 H HETATM 1759 H28 DUY A 161 -14.064 39.129 -6.499 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 220 219 991 CONECT 234 233 977 CONECT 761 762 768 769 770 CONECT 768 761 CONECT 769 761 CONECT 770 761 CONECT 956 957 969 970 971 CONECT 969 956 CONECT 970 956 CONECT 971 956 CONECT 977 234 976 CONECT 991 220 990 CONECT 1682 1683 1711 1712 CONECT 1683 1682 1684 1687 1710 CONECT 1684 1683 1685 1708 1709 CONECT 1685 1684 1686 1706 1707 CONECT 1686 1685 1687 1704 1705 CONECT 1687 1683 1686 1688 CONECT 1688 1687 1689 1703 CONECT 1689 1688 1690 CONECT 1690 1689 1691 1695 1699 CONECT 1691 1690 1692 1693 1694 CONECT 1692 1691 CONECT 1693 1691 CONECT 1694 1691 CONECT 1695 1690 1696 1697 1698 CONECT 1696 1695 CONECT 1697 1695 CONECT 1698 1695 CONECT 1699 1690 1700 1701 1702 CONECT 1700 1699 CONECT 1701 1699 CONECT 1702 1699 CONECT 1703 1688 CONECT 1704 1686 CONECT 1705 1686 CONECT 1706 1685 CONECT 1707 1685 CONECT 1708 1684 CONECT 1709 1684 CONECT 1710 1683 CONECT 1711 1682 CONECT 1712 1682 1713 1751 CONECT 1713 1712 1714 1758 1759 CONECT 1714 1713 1715 1756 1757 CONECT 1715 1714 1716 1739 1750 CONECT 1716 1715 1717 1718 CONECT 1717 1716 CONECT 1718 1716 1719 1738 CONECT 1719 1718 1720 1734 1737 CONECT 1720 1719 1721 1724 1733 CONECT 1721 1720 1722 1731 1732 CONECT 1722 1721 1723 1729 1730 CONECT 1723 1722 1724 1727 1728 CONECT 1724 1720 1723 1725 1726 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1723 CONECT 1728 1723 CONECT 1729 1722 CONECT 1730 1722 CONECT 1731 1721 CONECT 1732 1721 CONECT 1733 1720 CONECT 1734 1719 1735 1736 CONECT 1735 1734 CONECT 1736 1734 CONECT 1737 1719 CONECT 1738 1718 CONECT 1739 1715 1740 1745 CONECT 1740 1739 1741 1749 CONECT 1741 1740 1742 1748 CONECT 1742 1741 1743 1744 CONECT 1743 1742 CONECT 1744 1742 1745 1747 CONECT 1745 1739 1744 1746 CONECT 1746 1745 CONECT 1747 1744 CONECT 1748 1741 CONECT 1749 1740 CONECT 1750 1715 1751 1754 1755 CONECT 1751 1712 1750 1752 1753 CONECT 1752 1751 CONECT 1753 1751 CONECT 1754 1750 CONECT 1755 1750 CONECT 1756 1714 CONECT 1757 1714 CONECT 1758 1713 CONECT 1759 1713 MASTER 0 0 0 0 0 0 0 0 1756 3 94 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6bjo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6ar4
RCSB PDB
PDBbind
125aa, >6AR4_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6bjo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PRKCA-binding protein
Ligand Name
DUY
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
IC50=0.51uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Protein Sci. Vol. 27: pp. 672-680
Ligand Properties
Formula
C
2
9
H
4
0
BrN
3
O
6
Molecular Weight
606.548
Exact Mass
605.210
No. of atoms
79
No. of bonds
82
Polar Surface Area
116.25
LOGP Value
5.45 (
Computed with XLOGP3
)
4.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
OC(=O)[C@@H](C1CCCC1)NC(=O)[C@@]1(CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(cc1)Br
InChI String
InChI=1S/C29H40BrN3O6/c1-28(2,3)39-27(38)33-16-6-9-22(33)24(34)32-17-14-29(15-18-32,20-10-12-21(30)13-11-20)26(37)31-23(25(35)36)19-7-4-5-8-19/h10-13,19,22-23H,4-9,14-18H2,1-3H3,(H,31,37)(H,35,36)/t22-,23+/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):
Q9NRD5
Entrez Gene ID
NCBI Entrez Gene ID:
9463
ASD
Information of known allosteric effects of PDB entries
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