Browse entries in the PDBbind-CN Database
HEADER 5Z1R_COMPLEX COMPND 5Z1R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 HIS HIS HIS HIS HIS LEU VAL PRO ARG GLY SER ASN PRO SEQRES 2 A 134 PRO PRO PRO GLU THR SER ASN PRO ASN LYS PRO LYS ARG SEQRES 3 A 134 GLN THR ASN GLN LEU GLN TYR LEU LEU ARG VAL VAL LEU SEQRES 4 A 134 LYS THR LEU TRP LYS HIS GLN PHE ALA TRP PRO PHE GLN SEQRES 5 A 134 GLN PRO VAL ASP ALA VAL LYS LEU ASN LEU PRO ASP TYR SEQRES 6 A 134 TYR LYS ILE ILE LYS THR PRO MET ASP MET GLY THR ILE SEQRES 7 A 134 LYS LYS ARG LEU GLU ASN ASN TYR TYR TRP ASN ALA GLN SEQRES 8 A 134 GLU CYS ILE GLN ASP PHE ASN THR MET PHE THR ASN CYS SEQRES 9 A 134 TYR ILE TYR ASN LYS PRO GLY ASP ASP ILE VAL LEU MET SEQRES 10 A 134 ALA GLU ALA LEU GLU LYS LEU PHE LEU GLN LYS ILE ASN SEQRES 11 A 134 GLU LEU PRO THR HET EFL A 195 43 ATOM 1 N HIS A 33 27.141 -40.347 9.577 1.00 33.38 N ATOM 2 CA HIS A 33 26.702 -40.678 8.193 1.00 32.30 C ATOM 3 C HIS A 33 25.242 -40.241 7.945 1.00 27.40 C ATOM 4 O HIS A 33 24.936 -39.640 6.917 1.00 26.93 O ATOM 5 CB HIS A 33 26.879 -42.185 7.910 1.00 38.28 C ATOM 6 CG HIS A 33 27.187 -42.498 6.478 1.00 43.59 C ATOM 7 ND1 HIS A 33 28.363 -43.100 6.084 1.00 48.41 N ATOM 8 CD2 HIS A 33 26.483 -42.275 5.341 1.00 47.89 C ATOM 9 CE1 HIS A 33 28.370 -43.238 4.770 1.00 48.07 C ATOM 10 NE2 HIS A 33 27.242 -42.746 4.294 1.00 47.96 N ATOM 11 HN3 HIS A 33 26.529 -40.837 10.260 1.00 0.00 H ATOM 12 HN2 HIS A 33 27.074 -39.320 9.724 1.00 0.00 H ATOM 13 HN1 HIS A 33 28.126 -40.654 9.710 1.00 0.00 H ATOM 14 N HIS A 34 24.355 -40.519 8.907 1.00 25.24 N ATOM 15 CA HIS A 34 22.897 -40.277 8.745 1.00 23.14 C ATOM 16 C HIS A 34 22.379 -38.890 9.183 1.00 23.98 C ATOM 17 O HIS A 34 21.167 -38.622 9.075 1.00 20.54 O ATOM 18 CB HIS A 34 22.081 -41.354 9.464 1.00 24.68 C ATOM 19 CG HIS A 34 22.369 -42.738 8.978 1.00 26.37 C ATOM 20 ND1 HIS A 34 22.561 -43.029 7.643 1.00 26.54 N ATOM 21 CD2 HIS A 34 22.485 -43.913 9.644 1.00 26.06 C ATOM 22 CE1 HIS A 34 22.829 -44.317 7.507 1.00 27.57 C ATOM 23 NE2 HIS A 34 22.770 -44.877 8.705 1.00 30.17 N ATOM 24 H HIS A 34 24.699 -40.920 9.803 1.00 0.00 H ATOM 25 N HIS A 35 23.275 -38.019 9.651 1.00 23.29 N ATOM 26 CA HIS A 35 22.927 -36.626 9.911 1.00 25.34 C ATOM 27 C HIS A 35 23.196 -35.856 8.628 1.00 23.50 C ATOM 28 O HIS A 35 24.341 -35.836 8.148 1.00 22.03 O ATOM 29 CB HIS A 35 23.761 -36.017 11.030 1.00 27.71 C ATOM 30 CG HIS A 35 23.380 -34.600 11.324 1.00 33.02 C ATOM 31 ND1 HIS A 35 24.201 -33.526 11.050 1.00 39.44 N ATOM 32 CD2 HIS A 35 22.232 -34.077 11.812 1.00 37.23 C ATOM 33 CE1 HIS A 35 23.590 -32.407 11.401 1.00 39.45 C ATOM 34 NE2 HIS A 35 22.393 -32.715 11.867 1.00 38.15 N ATOM 35 H HIS A 35 24.246 -38.341 9.835 1.00 0.00 H ATOM 36 N HIS A 36 22.137 -35.300 8.044 1.00 21.14 N ATOM 37 CA HIS A 36 22.207 -34.622 6.745 1.00 20.13 C ATOM 38 C HIS A 36 22.039 -33.108 6.883 1.00 21.56 C ATOM 39 O HIS A 36 21.867 -32.421 5.871 1.00 20.25 O ATOM 40 CB HIS A 36 21.131 -35.179 5.780 1.00 21.52 C ATOM 41 CG HIS A 36 21.377 -36.582 5.301 1.00 22.69 C ATOM 42 ND1 HIS A 36 22.360 -37.407 5.806 1.00 23.25 N ATOM 43 CD2 HIS A 36 20.721 -37.311 4.368 1.00 21.82 C ATOM 44 CE1 HIS A 36 22.323 -38.569 5.182 1.00 23.02 C ATOM 45 NE2 HIS A 36 21.317 -38.548 4.327 1.00 24.34 N ATOM 46 H HIS A 36 21.219 -35.348 8.530 1.00 0.00 H ATOM 47 N HIS A 37 22.098 -32.602 8.122 1.00 19.44 N ATOM 48 CA HIS A 37 22.027 -31.147 8.412 1.00 19.98 C ATOM 49 C HIS A 37 20.774 -30.474 7.887 1.00 19.02 C ATOM 50 O HIS A 37 20.804 -29.322 7.419 1.00 19.35 O ATOM 51 CB HIS A 37 23.274 -30.411 7.871 1.00 21.89 C ATOM 52 CG HIS A 37 24.556 -31.065 8.266 1.00 25.91 C ATOM 53 ND1 HIS A 37 25.313 -30.635 9.331 1.00 29.41 N ATOM 54 CD2 HIS A 37 25.201 -32.139 7.751 1.00 28.91 C ATOM 55 CE1 HIS A 37 26.377 -31.410 9.450 1.00 30.21 C ATOM 56 NE2 HIS A 37 26.330 -32.334 8.505 1.00 31.20 N ATOM 57 H HIS A 37 22.199 -33.261 8.921 1.00 0.00 H ATOM 58 N LEU A 38 19.666 -31.198 7.973 1.00 17.76 N ATOM 59 CA LEU A 38 18.368 -30.650 7.590 1.00 17.04 C ATOM 60 C LEU A 38 17.725 -29.861 8.726 1.00 16.87 C ATOM 61 O LEU A 38 16.761 -29.129 8.498 1.00 16.50 O ATOM 62 CB LEU A 38 17.445 -31.781 7.132 1.00 15.99 C ATOM 63 CG LEU A 38 17.936 -32.561 5.907 1.00 16.23 C ATOM 64 CD1 LEU A 38 17.049 -33.760 5.701 1.00 16.48 C ATOM 65 CD2 LEU A 38 17.962 -31.692 4.676 1.00 16.90 C ATOM 66 H LEU A 38 19.723 -32.177 8.321 1.00 0.00 H ATOM 67 N VAL A 39 18.260 -30.029 9.941 1.00 17.02 N ATOM 68 CA VAL A 39 17.945 -29.166 11.088 1.00 17.35 C ATOM 69 C VAL A 39 19.245 -28.922 11.878 1.00 18.00 C ATOM 70 O VAL A 39 20.213 -29.702 11.732 1.00 19.58 O ATOM 71 CB VAL A 39 16.889 -29.791 12.025 1.00 17.91 C ATOM 72 CG1 VAL A 39 15.489 -29.642 11.443 1.00 17.26 C ATOM 73 CG2 VAL A 39 17.206 -31.260 12.324 1.00 17.79 C ATOM 74 H VAL A 39 18.933 -30.810 10.081 1.00 0.00 H ATOM 75 N PRO A 40 19.321 -27.849 12.676 1.00 17.05 N ATOM 76 CA PRO A 40 18.327 -26.770 12.829 1.00 17.89 C ATOM 77 C PRO A 40 18.190 -25.885 11.587 1.00 18.47 C ATOM 78 O PRO A 40 19.015 -25.944 10.657 1.00 18.27 O ATOM 79 CB PRO A 40 18.898 -25.950 13.981 1.00 17.83 C ATOM 80 CG PRO A 40 20.366 -26.153 13.863 1.00 18.47 C ATOM 81 CD PRO A 40 20.580 -27.560 13.374 1.00 18.32 C ATOM 82 N ARG A 41 17.124 -25.093 11.583 1.00 18.85 N ATOM 83 CA ARG A 41 16.722 -24.281 10.435 1.00 19.19 C ATOM 84 C ARG A 41 17.126 -22.834 10.677 1.00 18.57 C ATOM 85 O ARG A 41 17.584 -22.454 11.773 1.00 19.09 O ATOM 86 CB ARG A 41 15.193 -24.366 10.209 1.00 20.88 C ATOM 87 CG ARG A 41 14.578 -25.778 10.169 1.00 21.16 C ATOM 88 CD ARG A 41 15.024 -26.602 8.971 1.00 20.91 C ATOM 89 NE ARG A 41 14.632 -26.016 7.696 1.00 19.63 N ATOM 90 CZ ARG A 41 14.994 -26.487 6.493 1.00 18.93 C ATOM 91 NH1 ARG A 41 14.600 -25.857 5.386 1.00 17.68 N ATOM 92 NH2 ARG A 41 15.720 -27.590 6.384 1.00 17.82 N ATOM 93 HE ARG A 41 14.027 -25.170 7.720 1.00 0.00 H ATOM 94 HH12 ARG A 41 14.880 -26.221 4.453 1.00 0.00 H ATOM 95 HH11 ARG A 41 14.013 -25.002 5.456 1.00 0.00 H ATOM 96 HH22 ARG A 41 15.993 -27.942 5.444 1.00 0.00 H ATOM 97 HH21 ARG A 41 16.017 -28.103 7.238 1.00 0.00 H ATOM 98 H ARG A 41 16.543 -25.048 12.444 1.00 0.00 H ATOM 99 N GLY A 42 16.973 -22.031 9.630 1.00 18.14 N ATOM 100 CA GLY A 42 17.099 -20.573 9.732 1.00 19.26 C ATOM 101 C GLY A 42 15.904 -19.946 10.432 1.00 19.62 C ATOM 102 O GLY A 42 14.946 -20.645 10.844 1.00 20.77 O ATOM 103 H GLY A 42 16.756 -22.451 8.704 1.00 0.00 H ATOM 104 N SER A 43 15.946 -18.621 10.546 1.00 17.17 N ATOM 105 CA SER A 43 14.899 -17.904 11.216 1.00 17.12 C ATOM 106 C SER A 43 15.114 -16.443 10.918 1.00 14.79 C ATOM 107 O SER A 43 16.153 -16.031 10.376 1.00 15.35 O ATOM 108 CB SER A 43 14.954 -18.130 12.732 1.00 17.29 C ATOM 109 OG SER A 43 16.281 -17.953 13.235 1.00 20.11 O ATOM 110 HG SER A 43 16.888 -18.601 12.797 1.00 0.00 H ATOM 111 H SER A 43 16.749 -18.097 10.144 1.00 0.00 H ATOM 112 N ASN A 44 14.111 -15.675 11.247 1.00 13.96 N ATOM 113 CA ASN A 44 14.258 -14.232 11.279 1.00 13.23 C ATOM 114 C ASN A 44 14.810 -13.841 12.642 1.00 12.62 C ATOM 115 O ASN A 44 14.527 -14.498 13.643 1.00 13.12 O ATOM 116 CB ASN A 44 12.926 -13.566 11.048 1.00 13.43 C ATOM 117 CG ASN A 44 12.405 -13.803 9.639 1.00 13.90 C ATOM 118 OD1 ASN A 44 13.128 -13.638 8.671 1.00 13.99 O ATOM 119 ND2 ASN A 44 11.162 -14.183 9.537 1.00 15.23 N ATOM 120 HD22 ASN A 44 10.585 -14.310 10.393 1.00 0.00 H ATOM 121 HD21 ASN A 44 10.747 -14.359 8.600 1.00 0.00 H ATOM 122 H ASN A 44 13.195 -16.103 11.489 1.00 0.00 H ATOM 123 N PRO A 45 15.554 -12.759 12.710 1.00 11.56 N ATOM 124 CA PRO A 45 15.985 -12.258 14.014 1.00 11.47 C ATOM 125 C PRO A 45 14.842 -11.585 14.749 1.00 12.43 C ATOM 126 O PRO A 45 13.817 -11.288 14.170 1.00 11.61 O ATOM 127 CB PRO A 45 17.079 -11.236 13.646 1.00 11.94 C ATOM 128 CG PRO A 45 16.601 -10.711 12.324 1.00 12.12 C ATOM 129 CD PRO A 45 15.937 -11.842 11.629 1.00 11.98 C ATOM 130 N PRO A 46 15.007 -11.398 16.061 1.00 13.04 N ATOM 131 CA PRO A 46 14.021 -10.580 16.756 1.00 14.60 C ATOM 132 C PRO A 46 13.946 -9.208 16.121 1.00 13.90 C ATOM 133 O PRO A 46 15.000 -8.659 15.727 1.00 15.45 O ATOM 134 CB PRO A 46 14.546 -10.467 18.189 1.00 15.61 C ATOM 135 CG PRO A 46 15.892 -11.100 18.198 1.00 16.29 C ATOM 136 CD PRO A 46 16.156 -11.781 16.887 1.00 14.54 C ATOM 137 N PRO A 47 12.732 -8.666 15.983 1.00 13.31 N ATOM 138 CA PRO A 47 12.610 -7.353 15.400 1.00 13.40 C ATOM 139 C PRO A 47 13.102 -6.254 16.324 1.00 13.23 C ATOM 140 O PRO A 47 13.298 -6.483 17.543 1.00 14.00 O ATOM 141 CB PRO A 47 11.117 -7.216 15.156 1.00 14.10 C ATOM 142 CG PRO A 47 10.492 -8.035 16.196 1.00 14.69 C ATOM 143 CD PRO A 47 11.468 -9.113 16.559 1.00 14.43 C ATOM 144 N PRO A 48 13.325 -5.056 15.767 1.00 12.26 N ATOM 145 CA PRO A 48 13.731 -3.924 16.588 1.00 12.69 C ATOM 146 C PRO A 48 12.712 -3.600 17.696 1.00 12.77 C ATOM 147 O PRO A 48 11.486 -3.719 17.494 1.00 12.92 O ATOM 148 CB PRO A 48 13.874 -2.781 15.570 1.00 13.85 C ATOM 149 CG PRO A 48 14.025 -3.460 14.278 1.00 13.43 C ATOM 150 CD PRO A 48 13.181 -4.653 14.358 1.00 13.08 C ATOM 151 N GLU A 49 13.209 -3.164 18.860 1.00 13.28 N ATOM 152 CA GLU A 49 12.303 -2.755 19.920 1.00 14.90 C ATOM 153 C GLU A 49 11.446 -1.557 19.521 1.00 13.19 C ATOM 154 O GLU A 49 11.877 -0.675 18.756 1.00 11.69 O ATOM 155 CB GLU A 49 13.061 -2.437 21.209 1.00 17.56 C ATOM 156 CG GLU A 49 13.893 -1.160 21.156 1.00 22.49 C ATOM 157 CD GLU A 49 14.660 -0.890 22.427 1.00 25.12 C ATOM 158 OE1 GLU A 49 14.756 -1.864 23.188 1.00 29.73 O ATOM 159 OE2 GLU A 49 15.177 0.258 22.664 1.00 25.71 O ATOM 160 H GLU A 49 14.238 -3.118 19.005 1.00 0.00 H ATOM 161 N THR A 50 10.241 -1.527 20.074 1.00 12.55 N ATOM 162 CA THR A 50 9.316 -0.404 19.895 1.00 13.18 C ATOM 163 C THR A 50 8.884 0.246 21.205 1.00 13.60 C ATOM 164 O THR A 50 8.169 1.239 21.177 1.00 14.69 O ATOM 165 CB THR A 50 8.104 -0.807 19.116 1.00 13.51 C ATOM 166 OG1 THR A 50 7.435 -1.853 19.829 1.00 16.03 O ATOM 167 CG2 THR A 50 8.539 -1.272 17.737 1.00 14.15 C ATOM 168 HG1 THR A 50 6.629 -2.131 19.325 1.00 0.00 H ATOM 169 H THR A 50 9.940 -2.333 20.658 1.00 0.00 H ATOM 170 N SER A 51 9.379 -0.315 22.292 1.00 14.49 N ATOM 171 CA SER A 51 9.189 0.159 23.653 1.00 16.40 C ATOM 172 C SER A 51 10.479 -0.014 24.381 1.00 15.01 C ATOM 173 O SER A 51 11.223 -0.936 24.128 1.00 16.25 O ATOM 174 CB SER A 51 8.131 -0.706 24.360 1.00 19.00 C ATOM 175 OG SER A 51 6.888 -0.235 23.931 1.00 24.78 O ATOM 176 HG SER A 51 6.170 -0.763 24.361 1.00 0.00 H ATOM 177 H SER A 51 9.955 -1.171 22.164 1.00 0.00 H ATOM 178 N ASN A 52 10.733 0.851 25.331 1.00 12.74 N ATOM 179 CA ASN A 52 11.874 0.747 26.210 1.00 12.78 C ATOM 180 C ASN A 52 11.615 1.739 27.347 1.00 12.70 C ATOM 181 O ASN A 52 11.872 2.945 27.184 1.00 12.11 O ATOM 182 CB ASN A 52 13.195 1.087 25.490 1.00 13.53 C ATOM 183 CG ASN A 52 14.407 1.032 26.422 1.00 14.05 C ATOM 184 OD1 ASN A 52 14.283 1.054 27.661 1.00 15.83 O ATOM 185 ND2 ASN A 52 15.600 0.964 25.829 1.00 15.77 N ATOM 186 HD22 ASN A 52 15.665 0.948 24.791 1.00 0.00 H ATOM 187 HD21 ASN A 52 16.465 0.927 26.405 1.00 0.00 H ATOM 188 H ASN A 52 10.081 1.652 25.459 1.00 0.00 H ATOM 189 N PRO A 53 11.134 1.251 28.506 1.00 12.78 N ATOM 190 CA PRO A 53 10.762 2.240 29.532 1.00 12.95 C ATOM 191 C PRO A 53 11.877 3.169 29.999 1.00 12.50 C ATOM 192 O PRO A 53 11.576 4.323 30.331 1.00 14.14 O ATOM 193 CB PRO A 53 10.268 1.352 30.696 1.00 12.75 C ATOM 194 CG PRO A 53 9.743 0.159 30.018 1.00 13.44 C ATOM 195 CD PRO A 53 10.662 -0.101 28.873 1.00 13.92 C ATOM 196 N ASN A 54 13.134 2.721 30.035 1.00 11.94 N ATOM 197 CA ASN A 54 14.239 3.550 30.449 1.00 12.01 C ATOM 198 C ASN A 54 14.844 4.465 29.371 1.00 12.57 C ATOM 199 O ASN A 54 15.773 5.270 29.663 1.00 13.47 O ATOM 200 CB ASN A 54 15.324 2.658 31.052 1.00 12.37 C ATOM 201 CG ASN A 54 14.947 2.144 32.431 1.00 12.82 C ATOM 202 OD1 ASN A 54 15.253 0.983 32.797 1.00 15.68 O ATOM 203 ND2 ASN A 54 14.402 3.018 33.223 1.00 12.61 N ATOM 204 HD22 ASN A 54 14.168 3.967 32.868 1.00 0.00 H ATOM 205 HD21 ASN A 54 14.199 2.768 34.212 1.00 0.00 H ATOM 206 H ASN A 54 13.323 1.738 29.754 1.00 0.00 H ATOM 207 N LYS A 55 14.330 4.387 28.143 1.00 12.03 N ATOM 208 CA LYS A 55 14.845 5.252 27.093 1.00 12.43 C ATOM 209 C LYS A 55 14.247 6.631 27.278 1.00 13.32 C ATOM 210 O LYS A 55 13.049 6.735 27.536 1.00 12.20 O ATOM 211 CB LYS A 55 14.503 4.739 25.723 1.00 12.31 C ATOM 212 CG LYS A 55 15.126 5.604 24.618 1.00 12.15 C ATOM 213 CD LYS A 55 14.662 5.184 23.229 1.00 12.63 C ATOM 214 CE LYS A 55 15.013 6.138 22.076 1.00 12.27 C ATOM 215 NZ LYS A 55 14.632 7.521 22.349 1.00 13.46 N ATOM 216 HZ1 LYS A 55 13.605 7.572 22.503 1.00 0.00 H ATOM 217 HZ2 LYS A 55 15.128 7.854 23.200 1.00 0.00 H ATOM 218 HZ3 LYS A 55 14.893 8.118 21.538 1.00 0.00 H ATOM 219 H LYS A 55 13.566 3.712 27.937 1.00 0.00 H ATOM 220 N PRO A 56 15.069 7.698 27.113 1.00 13.13 N ATOM 221 CA PRO A 56 14.488 9.048 27.199 1.00 13.76 C ATOM 222 C PRO A 56 13.601 9.292 26.014 1.00 13.04 C ATOM 223 O PRO A 56 13.971 8.941 24.911 1.00 13.67 O ATOM 224 CB PRO A 56 15.701 9.984 27.151 1.00 14.31 C ATOM 225 CG PRO A 56 16.887 9.130 27.303 1.00 15.12 C ATOM 226 CD PRO A 56 16.540 7.690 27.205 1.00 13.81 C ATOM 227 N LYS A 57 12.462 9.923 26.262 1.00 13.25 N ATOM 228 CA LYS A 57 11.460 10.178 25.219 1.00 14.22 C ATOM 229 C LYS A 57 10.747 11.510 25.414 1.00 15.09 C ATOM 230 O LYS A 57 10.676 12.034 26.518 1.00 14.63 O ATOM 231 CB LYS A 57 10.520 8.987 25.032 1.00 16.94 C ATOM 232 CG LYS A 57 9.831 8.410 26.223 1.00 19.42 C ATOM 233 CD LYS A 57 9.129 7.075 25.956 1.00 18.68 C ATOM 234 CE LYS A 57 10.015 5.849 25.916 1.00 19.31 C ATOM 235 NZ LYS A 57 10.470 5.403 27.275 1.00 19.00 N ATOM 236 HZ1 LYS A 57 11.011 6.168 27.726 1.00 0.00 H ATOM 237 HZ2 LYS A 57 9.641 5.173 27.859 1.00 0.00 H ATOM 238 HZ3 LYS A 57 11.072 4.561 27.178 1.00 0.00 H ATOM 239 H LYS A 57 12.271 10.249 27.231 1.00 0.00 H ATOM 240 N ARG A 58 10.319 12.103 24.308 1.00 16.32 N ATOM 241 CA ARG A 58 9.606 13.390 24.305 1.00 18.40 C ATOM 242 C ARG A 58 8.581 13.394 23.214 1.00 22.85 C ATOM 243 O ARG A 58 8.678 12.628 22.242 1.00 22.11 O ATOM 244 CB ARG A 58 10.540 14.556 24.028 1.00 19.26 C ATOM 245 CG ARG A 58 11.460 14.826 25.172 1.00 20.47 C ATOM 246 CD ARG A 58 12.325 16.056 25.018 1.00 20.51 C ATOM 247 NE ARG A 58 12.830 16.173 23.690 1.00 22.06 N ATOM 248 CZ ARG A 58 13.622 17.133 23.240 1.00 24.04 C ATOM 249 NH1 ARG A 58 14.123 18.074 24.044 1.00 25.62 N ATOM 250 NH2 ARG A 58 13.943 17.111 21.948 1.00 24.74 N ATOM 251 HE ARG A 58 12.550 15.436 23.012 1.00 0.00 H ATOM 252 HH12 ARG A 58 14.742 18.814 23.656 1.00 0.00 H ATOM 253 HH11 ARG A 58 13.894 18.067 25.058 1.00 0.00 H ATOM 254 HH22 ARG A 58 14.563 17.847 21.554 1.00 0.00 H ATOM 255 HH21 ARG A 58 13.574 16.358 21.333 1.00 0.00 H ATOM 256 H ARG A 58 10.496 11.635 23.396 1.00 0.00 H ATOM 257 N GLN A 59 7.605 14.271 23.386 1.00 22.93 N ATOM 258 CA GLN A 59 6.692 14.627 22.323 1.00 26.31 C ATOM 259 C GLN A 59 7.152 16.010 21.856 1.00 26.28 C ATOM 260 O GLN A 59 7.406 16.894 22.681 1.00 28.35 O ATOM 261 CB GLN A 59 5.270 14.580 22.866 1.00 28.95 C ATOM 262 CG GLN A 59 4.888 13.175 23.314 1.00 32.26 C ATOM 263 CD GLN A 59 3.472 13.057 23.845 1.00 36.79 C ATOM 264 OE1 GLN A 59 3.244 12.481 24.915 1.00 42.62 O ATOM 265 NE2 GLN A 59 2.511 13.592 23.106 1.00 41.29 N ATOM 266 HE22 GLN A 59 2.747 14.068 22.212 1.00 0.00 H ATOM 267 HE21 GLN A 59 1.521 13.536 23.420 1.00 0.00 H ATOM 268 H GLN A 59 7.491 14.719 24.317 1.00 0.00 H ATOM 269 N THR A 60 7.397 16.169 20.563 1.00 23.62 N ATOM 270 CA THR A 60 7.815 17.445 19.969 1.00 22.35 C ATOM 271 C THR A 60 6.951 17.715 18.748 1.00 23.91 C ATOM 272 O THR A 60 6.370 16.781 18.181 1.00 22.75 O ATOM 273 CB THR A 60 9.297 17.487 19.553 1.00 24.63 C ATOM 274 OG1 THR A 60 9.511 16.725 18.356 1.00 22.51 O ATOM 275 CG2 THR A 60 10.198 16.948 20.651 1.00 23.10 C ATOM 276 HG1 THR A 60 10.468 16.766 18.107 1.00 0.00 H ATOM 277 H THR A 60 7.287 15.346 19.936 1.00 0.00 H ATOM 278 N ASN A 61 6.877 18.973 18.316 1.00 25.14 N ATOM 279 CA ASN A 61 6.044 19.263 17.140 1.00 25.69 C ATOM 280 C ASN A 61 6.608 18.599 15.875 1.00 23.52 C ATOM 281 O ASN A 61 5.820 18.166 15.038 1.00 23.53 O ATOM 282 CB ASN A 61 5.778 20.758 16.949 1.00 30.27 C ATOM 283 CG ASN A 61 7.041 21.543 16.719 1.00 33.61 C ATOM 284 OD1 ASN A 61 8.041 21.299 17.379 1.00 40.03 O ATOM 285 ND2 ASN A 61 7.018 22.469 15.757 1.00 37.13 N ATOM 286 HD22 ASN A 61 6.143 22.641 15.222 1.00 0.00 H ATOM 287 HD21 ASN A 61 7.875 23.018 15.543 1.00 0.00 H ATOM 288 H ASN A 61 7.397 19.733 18.800 1.00 0.00 H ATOM 289 N GLN A 62 7.941 18.504 15.755 1.00 22.53 N ATOM 290 CA GLN A 62 8.588 17.787 14.645 1.00 20.18 C ATOM 291 C GLN A 62 8.234 16.278 14.651 1.00 20.01 C ATOM 292 O GLN A 62 7.866 15.705 13.609 1.00 18.03 O ATOM 293 CB GLN A 62 10.115 18.023 14.631 1.00 21.61 C ATOM 294 CG GLN A 62 10.527 19.481 14.342 1.00 21.69 C ATOM 295 CD GLN A 62 12.048 19.697 14.274 1.00 22.89 C ATOM 296 OE1 GLN A 62 12.820 18.947 14.859 1.00 23.90 O ATOM 297 NE2 GLN A 62 12.470 20.733 13.567 1.00 23.36 N ATOM 298 HE22 GLN A 62 11.784 21.347 13.084 1.00 0.00 H ATOM 299 HE21 GLN A 62 13.488 20.933 13.494 1.00 0.00 H ATOM 300 H GLN A 62 8.541 18.955 16.475 1.00 0.00 H ATOM 301 N LEU A 63 8.245 15.645 15.818 1.00 19.02 N ATOM 302 CA LEU A 63 7.865 14.228 15.886 1.00 17.91 C ATOM 303 C LEU A 63 6.372 14.010 15.587 1.00 19.27 C ATOM 304 O LEU A 63 6.000 13.051 14.932 1.00 17.08 O ATOM 305 CB LEU A 63 8.250 13.621 17.247 1.00 17.60 C ATOM 306 CG LEU A 63 9.728 13.355 17.445 1.00 17.74 C ATOM 307 CD1 LEU A 63 9.933 13.180 18.941 1.00 17.53 C ATOM 308 CD2 LEU A 63 10.171 12.111 16.671 1.00 16.57 C ATOM 309 H LEU A 63 8.522 16.152 16.683 1.00 0.00 H ATOM 310 N GLN A 64 5.514 14.927 16.030 1.00 20.71 N ATOM 311 CA GLN A 64 4.099 14.862 15.658 1.00 22.83 C ATOM 312 C GLN A 64 3.896 14.999 14.136 1.00 20.19 C ATOM 313 O GLN A 64 3.058 14.274 13.571 1.00 21.70 O ATOM 314 CB GLN A 64 3.298 15.936 16.400 1.00 25.19 C ATOM 315 CG GLN A 64 3.137 15.571 17.866 1.00 30.88 C ATOM 316 CD GLN A 64 2.309 16.580 18.640 1.00 36.76 C ATOM 317 OE1 GLN A 64 1.332 17.130 18.118 1.00 44.00 O ATOM 318 NE2 GLN A 64 2.674 16.807 19.903 1.00 39.53 N ATOM 319 HE22 GLN A 64 3.504 16.321 20.300 1.00 0.00 H ATOM 320 HE21 GLN A 64 2.129 17.470 20.491 1.00 0.00 H ATOM 321 H GLN A 64 5.851 15.695 16.645 1.00 0.00 H ATOM 322 N TYR A 65 4.649 15.891 13.492 1.00 19.79 N ATOM 323 CA TYR A 65 4.617 16.053 12.028 1.00 19.07 C ATOM 324 C TYR A 65 5.126 14.771 11.363 1.00 18.91 C ATOM 325 O TYR A 65 4.598 14.321 10.344 1.00 19.59 O ATOM 326 CB TYR A 65 5.454 17.245 11.585 1.00 20.19 C ATOM 327 CG TYR A 65 5.609 17.476 10.081 1.00 20.61 C ATOM 328 CD1 TYR A 65 4.718 18.300 9.392 1.00 22.39 C ATOM 329 CD2 TYR A 65 6.689 16.962 9.370 1.00 21.84 C ATOM 330 CE1 TYR A 65 4.871 18.564 8.039 1.00 22.88 C ATOM 331 CE2 TYR A 65 6.861 17.221 8.005 1.00 21.19 C ATOM 332 CZ TYR A 65 5.943 18.038 7.342 1.00 22.41 C ATOM 333 OH TYR A 65 6.089 18.329 6.002 1.00 23.83 O ATOM 334 HH TYR A 65 6.954 18.789 5.858 1.00 0.00 H ATOM 335 H TYR A 65 5.286 16.498 14.046 1.00 0.00 H ATOM 336 N LEU A 66 6.151 14.180 11.952 1.00 16.15 N ATOM 337 CA LEU A 66 6.697 12.928 11.390 1.00 16.28 C ATOM 338 C LEU A 66 5.669 11.813 11.391 1.00 16.34 C ATOM 339 O LEU A 66 5.668 10.973 10.487 1.00 18.63 O ATOM 340 CB LEU A 66 7.992 12.507 12.107 1.00 16.10 C ATOM 341 CG LEU A 66 9.250 13.286 11.657 1.00 16.21 C ATOM 342 CD1 LEU A 66 10.382 13.218 12.690 1.00 16.55 C ATOM 343 CD2 LEU A 66 9.748 12.896 10.277 1.00 17.36 C ATOM 344 H LEU A 66 6.571 14.595 12.808 1.00 0.00 H ATOM 345 N LEU A 67 4.803 11.777 12.375 1.00 15.63 N ATOM 346 CA LEU A 67 3.789 10.748 12.410 1.00 16.54 C ATOM 347 C LEU A 67 2.651 11.129 11.488 1.00 19.34 C ATOM 348 O LEU A 67 2.274 10.342 10.635 1.00 18.12 O ATOM 349 CB LEU A 67 3.265 10.522 13.806 1.00 17.73 C ATOM 350 CG LEU A 67 2.171 9.462 13.947 1.00 17.41 C ATOM 351 CD1 LEU A 67 2.557 8.132 13.283 1.00 17.86 C ATOM 352 CD2 LEU A 67 1.734 9.167 15.379 1.00 19.88 C ATOM 353 H LEU A 67 4.846 12.490 13.131 1.00 0.00 H ATOM 354 N ARG A 68 2.085 12.319 11.698 1.00 19.88 N ATOM 355 CA ARG A 68 0.839 12.725 10.998 1.00 23.56 C ATOM 356 C ARG A 68 1.043 12.965 9.508 1.00 22.99 C ATOM 357 O ARG A 68 0.129 12.684 8.706 1.00 25.04 O ATOM 358 CB ARG A 68 0.239 13.985 11.633 1.00 27.03 C ATOM 359 CG ARG A 68 -0.237 13.839 13.069 1.00 34.49 C ATOM 360 CD ARG A 68 -0.803 15.165 13.592 1.00 41.66 C ATOM 361 NE ARG A 68 -0.486 15.408 15.007 1.00 47.68 N ATOM 362 CZ ARG A 68 -1.093 14.833 16.052 1.00 53.52 C ATOM 363 NH1 ARG A 68 -2.080 13.950 15.889 1.00 57.72 N ATOM 364 NH2 ARG A 68 -0.706 15.146 17.287 1.00 56.33 N ATOM 365 HE ARG A 68 0.276 16.085 15.214 1.00 0.00 H ATOM 366 HH12 ARG A 68 -2.534 13.519 16.719 1.00 0.00 H ATOM 367 HH11 ARG A 68 -2.395 13.693 14.932 1.00 0.00 H ATOM 368 HH22 ARG A 68 -1.172 14.704 18.105 1.00 0.00 H ATOM 369 HH21 ARG A 68 0.062 15.832 17.433 1.00 0.00 H ATOM 370 H ARG A 68 2.527 12.979 12.369 1.00 0.00 H ATOM 371 N VAL A 69 2.223 13.445 9.114 1.00 22.64 N ATOM 372 CA VAL A 69 2.470 13.807 7.729 1.00 22.48 C ATOM 373 C VAL A 69 3.430 12.838 7.058 1.00 22.36 C ATOM 374 O VAL A 69 3.069 12.240 6.031 1.00 24.07 O ATOM 375 CB VAL A 69 2.962 15.267 7.588 1.00 24.73 C ATOM 376 CG1 VAL A 69 3.283 15.633 6.146 1.00 24.82 C ATOM 377 CG2 VAL A 69 1.896 16.207 8.119 1.00 23.49 C ATOM 378 H VAL A 69 2.983 13.563 9.814 1.00 0.00 H ATOM 379 N VAL A 70 4.642 12.674 7.591 1.00 19.25 N ATOM 380 CA VAL A 70 5.644 11.962 6.859 1.00 17.96 C ATOM 381 C VAL A 70 5.285 10.468 6.794 1.00 19.65 C ATOM 382 O VAL A 70 5.200 9.913 5.711 1.00 19.13 O ATOM 383 CB VAL A 70 7.049 12.198 7.396 1.00 18.30 C ATOM 384 CG1 VAL A 70 8.063 11.375 6.628 1.00 18.93 C ATOM 385 CG2 VAL A 70 7.404 13.684 7.324 1.00 19.01 C ATOM 386 H VAL A 70 4.857 13.061 8.532 1.00 0.00 H ATOM 387 N LEU A 71 5.038 9.839 7.939 1.00 17.55 N ATOM 388 CA LEU A 71 4.806 8.398 7.986 1.00 19.03 C ATOM 389 C LEU A 71 3.478 8.054 7.333 1.00 22.03 C ATOM 390 O LEU A 71 3.418 7.139 6.509 1.00 23.22 O ATOM 391 CB LEU A 71 4.839 7.897 9.441 1.00 17.77 C ATOM 392 CG LEU A 71 4.658 6.391 9.748 1.00 20.19 C ATOM 393 CD1 LEU A 71 3.242 5.848 9.612 1.00 20.80 C ATOM 394 CD2 LEU A 71 5.650 5.588 8.907 1.00 20.61 C ATOM 395 H LEU A 71 5.009 10.387 8.823 1.00 0.00 H ATOM 396 N LYS A 72 2.417 8.769 7.678 1.00 24.93 N ATOM 397 CA LYS A 72 1.104 8.481 7.098 1.00 27.21 C ATOM 398 C LYS A 72 1.075 8.650 5.573 1.00 27.12 C ATOM 399 O LYS A 72 0.399 7.894 4.914 1.00 31.39 O ATOM 400 CB LYS A 72 -0.019 9.268 7.759 1.00 31.87 C ATOM 401 CG LYS A 72 -0.943 8.370 8.563 1.00 36.26 C ATOM 402 CD LYS A 72 -0.307 7.868 9.853 1.00 38.67 C ATOM 403 CE LYS A 72 -0.894 8.559 11.077 1.00 41.40 C ATOM 404 NZ LYS A 72 -2.232 8.002 11.439 1.00 45.13 N ATOM 405 HZ1 LYS A 72 -2.888 8.134 10.643 1.00 0.00 H ATOM 406 HZ2 LYS A 72 -2.139 6.988 11.649 1.00 0.00 H ATOM 407 HZ3 LYS A 72 -2.598 8.498 12.277 1.00 0.00 H ATOM 408 H LYS A 72 2.518 9.542 8.367 1.00 0.00 H ATOM 409 N THR A 73 1.855 9.573 5.018 1.00 26.82 N ATOM 410 CA THR A 73 1.949 9.746 3.542 1.00 28.00 C ATOM 411 C THR A 73 2.669 8.581 2.853 1.00 27.13 C ATOM 412 O THR A 73 2.296 8.138 1.752 1.00 23.42 O ATOM 413 CB THR A 73 2.725 11.027 3.214 1.00 31.86 C ATOM 414 OG1 THR A 73 1.952 12.145 3.661 1.00 33.59 O ATOM 415 CG2 THR A 73 3.038 11.182 1.701 1.00 34.16 C ATOM 416 HG1 THR A 73 1.807 12.075 4.638 1.00 0.00 H ATOM 417 H THR A 73 2.417 10.194 5.634 1.00 0.00 H ATOM 418 N LEU A 74 3.757 8.152 3.461 1.00 22.05 N ATOM 419 CA LEU A 74 4.487 7.015 2.961 1.00 21.74 C ATOM 420 C LEU A 74 3.689 5.716 3.132 1.00 19.86 C ATOM 421 O LEU A 74 3.678 4.886 2.207 1.00 18.72 O ATOM 422 CB LEU A 74 5.853 6.912 3.633 1.00 22.54 C ATOM 423 CG LEU A 74 6.987 7.732 3.031 1.00 27.09 C ATOM 424 CD1 LEU A 74 6.657 9.191 2.750 1.00 30.45 C ATOM 425 CD2 LEU A 74 8.216 7.600 3.908 1.00 28.08 C ATOM 426 H LEU A 74 4.094 8.642 4.315 1.00 0.00 H ATOM 427 N TRP A 75 3.019 5.555 4.274 1.00 18.60 N ATOM 428 CA TRP A 75 2.298 4.311 4.634 1.00 17.92 C ATOM 429 C TRP A 75 1.198 3.934 3.627 1.00 18.47 C ATOM 430 O TRP A 75 1.035 2.748 3.284 1.00 18.53 O ATOM 431 CB TRP A 75 1.723 4.433 6.049 1.00 18.87 C ATOM 432 CG TRP A 75 1.211 3.183 6.617 1.00 18.51 C ATOM 433 CD1 TRP A 75 -0.081 2.749 6.599 1.00 19.13 C ATOM 434 CD2 TRP A 75 1.962 2.169 7.274 1.00 16.19 C ATOM 435 NE1 TRP A 75 -0.184 1.523 7.199 1.00 19.88 N ATOM 436 CE2 TRP A 75 1.063 1.154 7.652 1.00 16.52 C ATOM 437 CE3 TRP A 75 3.311 2.022 7.597 1.00 14.98 C ATOM 438 CZ2 TRP A 75 1.463 -0.004 8.319 1.00 15.94 C ATOM 439 CZ3 TRP A 75 3.695 0.859 8.263 1.00 14.59 C ATOM 440 CH2 TRP A 75 2.788 -0.131 8.610 1.00 14.57 C ATOM 441 HE1 TRP A 75 -1.056 0.965 7.296 1.00 0.00 H ATOM 442 H TRP A 75 3.002 6.346 4.949 1.00 0.00 H ATOM 443 N LYS A 76 0.451 4.942 3.180 1.00 19.91 N ATOM 444 CA LYS A 76 -0.661 4.784 2.226 1.00 21.02 C ATOM 445 C LYS A 76 -0.248 4.626 0.768 1.00 19.10 C ATOM 446 O LYS A 76 -1.096 4.375 -0.076 1.00 20.11 O ATOM 447 CB LYS A 76 -1.597 5.978 2.339 1.00 25.53 C ATOM 448 CG LYS A 76 -2.227 6.048 3.709 1.00 28.89 C ATOM 449 CD LYS A 76 -3.287 7.134 3.807 1.00 32.43 C ATOM 450 CE LYS A 76 -2.731 8.501 3.436 1.00 33.90 C ATOM 451 NZ LYS A 76 -3.650 9.575 3.887 1.00 36.06 N ATOM 452 HZ1 LYS A 76 -4.576 9.451 3.431 1.00 0.00 H ATOM 453 HZ2 LYS A 76 -3.761 9.524 4.920 1.00 0.00 H ATOM 454 HZ3 LYS A 76 -3.254 10.501 3.625 1.00 0.00 H ATOM 455 H LYS A 76 0.666 5.899 3.525 1.00 0.00 H ATOM 456 N HIS A 77 1.022 4.780 0.480 1.00 15.12 N ATOM 457 CA HIS A 77 1.542 4.775 -0.886 1.00 13.94 C ATOM 458 C HIS A 77 1.565 3.357 -1.399 1.00 12.86 C ATOM 459 O HIS A 77 1.818 2.419 -0.639 1.00 12.59 O ATOM 460 CB HIS A 77 2.947 5.352 -0.937 1.00 13.55 C ATOM 461 CG HIS A 77 3.375 5.708 -2.313 1.00 13.43 C ATOM 462 ND1 HIS A 77 3.861 4.790 -3.221 1.00 13.60 N ATOM 463 CD2 HIS A 77 3.265 6.867 -2.990 1.00 13.62 C ATOM 464 CE1 HIS A 77 4.130 5.388 -4.365 1.00 13.70 C ATOM 465 NE2 HIS A 77 3.787 6.659 -4.245 1.00 14.59 N ATOM 466 H HIS A 77 1.693 4.912 1.263 1.00 0.00 H ATOM 467 N GLN A 78 1.250 3.176 -2.678 1.00 13.37 N ATOM 468 CA GLN A 78 1.228 1.844 -3.257 1.00 12.59 C ATOM 469 C GLN A 78 2.575 1.141 -3.351 1.00 11.84 C ATOM 470 O GLN A 78 2.616 -0.052 -3.607 1.00 11.03 O ATOM 471 CB GLN A 78 0.659 1.909 -4.681 1.00 13.47 C ATOM 472 CG GLN A 78 1.562 2.642 -5.666 1.00 13.76 C ATOM 473 CD GLN A 78 1.209 2.400 -7.124 1.00 16.50 C ATOM 474 OE1 GLN A 78 0.585 1.372 -7.475 1.00 18.94 O ATOM 475 NE2 GLN A 78 1.575 3.332 -7.968 1.00 15.21 N ATOM 476 HE22 GLN A 78 2.092 4.168 -7.628 1.00 0.00 H ATOM 477 HE21 GLN A 78 1.349 3.236 -8.979 1.00 0.00 H ATOM 478 H GLN A 78 1.017 3.998 -3.271 1.00 0.00 H ATOM 479 N PHE A 79 3.661 1.840 -3.012 1.00 10.85 N ATOM 480 CA PHE A 79 4.994 1.221 -2.939 1.00 11.24 C ATOM 481 C PHE A 79 5.396 0.942 -1.504 1.00 11.37 C ATOM 482 O PHE A 79 6.522 0.469 -1.314 1.00 11.31 O ATOM 483 CB PHE A 79 6.084 2.081 -3.586 1.00 10.87 C ATOM 484 CG PHE A 79 5.945 2.304 -5.071 1.00 11.18 C ATOM 485 CD1 PHE A 79 5.179 1.470 -5.894 1.00 11.55 C ATOM 486 CD2 PHE A 79 6.678 3.318 -5.679 1.00 11.77 C ATOM 487 CE1 PHE A 79 5.109 1.699 -7.251 1.00 12.19 C ATOM 488 CE2 PHE A 79 6.630 3.521 -7.040 1.00 12.40 C ATOM 489 CZ PHE A 79 5.827 2.731 -7.827 1.00 12.08 C ATOM 490 H PHE A 79 3.562 2.852 -2.793 1.00 0.00 H ATOM 491 N ALA A 80 4.511 1.178 -0.526 1.00 11.64 N ATOM 492 CA ALA A 80 4.883 1.028 0.903 1.00 10.92 C ATOM 493 C ALA A 80 5.033 -0.416 1.314 1.00 11.07 C ATOM 494 O ALA A 80 5.787 -0.708 2.249 1.00 11.00 O ATOM 495 CB ALA A 80 3.877 1.697 1.818 1.00 10.82 C ATOM 496 H ALA A 80 3.545 1.472 -0.773 1.00 0.00 H ATOM 497 N TRP A 81 4.304 -1.339 0.697 1.00 9.76 N ATOM 498 CA TRP A 81 4.123 -2.665 1.269 1.00 9.64 C ATOM 499 C TRP A 81 5.385 -3.494 1.595 1.00 9.18 C ATOM 500 O TRP A 81 5.366 -4.201 2.590 1.00 10.13 O ATOM 501 CB TRP A 81 3.133 -3.523 0.434 1.00 9.61 C ATOM 502 CG TRP A 81 3.535 -3.690 -0.973 1.00 9.29 C ATOM 503 CD1 TRP A 81 3.174 -2.903 -2.019 1.00 9.23 C ATOM 504 CD2 TRP A 81 4.293 -4.775 -1.544 1.00 9.24 C ATOM 505 NE1 TRP A 81 3.744 -3.362 -3.180 1.00 10.01 N ATOM 506 CE2 TRP A 81 4.400 -4.522 -2.923 1.00 9.27 C ATOM 507 CE3 TRP A 81 4.973 -5.885 -1.014 1.00 9.53 C ATOM 508 CZ2 TRP A 81 5.116 -5.360 -3.788 1.00 9.36 C ATOM 509 CZ3 TRP A 81 5.641 -6.702 -1.862 1.00 8.95 C ATOM 510 CH2 TRP A 81 5.701 -6.437 -3.240 1.00 8.86 C ATOM 511 HE1 TRP A 81 3.683 -2.896 -4.108 1.00 0.00 H ATOM 512 H TRP A 81 3.854 -1.110 -0.212 1.00 0.00 H ATOM 513 N PRO A 82 6.486 -3.358 0.811 1.00 8.90 N ATOM 514 CA PRO A 82 7.657 -4.154 1.224 1.00 8.73 C ATOM 515 C PRO A 82 8.316 -3.637 2.484 1.00 9.39 C ATOM 516 O PRO A 82 9.126 -4.334 3.099 1.00 9.90 O ATOM 517 CB PRO A 82 8.615 -4.039 0.055 1.00 8.59 C ATOM 518 CG PRO A 82 7.744 -3.576 -1.103 1.00 8.33 C ATOM 519 CD PRO A 82 6.734 -2.677 -0.458 1.00 8.32 C ATOM 520 N PHE A 83 7.962 -2.414 2.842 1.00 9.35 N ATOM 521 CA PHE A 83 8.593 -1.671 3.946 1.00 9.19 C ATOM 522 C PHE A 83 7.670 -1.521 5.159 1.00 10.41 C ATOM 523 O PHE A 83 8.051 -0.845 6.148 1.00 11.15 O ATOM 524 CB PHE A 83 9.017 -0.292 3.418 1.00 9.41 C ATOM 525 CG PHE A 83 9.862 -0.358 2.196 1.00 9.38 C ATOM 526 CD1 PHE A 83 11.202 -0.764 2.223 1.00 10.00 C ATOM 527 CD2 PHE A 83 9.298 -0.154 0.950 1.00 9.27 C ATOM 528 CE1 PHE A 83 11.949 -0.878 1.048 1.00 10.16 C ATOM 529 CE2 PHE A 83 10.040 -0.238 -0.209 1.00 10.50 C ATOM 530 CZ PHE A 83 11.373 -0.603 -0.179 1.00 10.43 C ATOM 531 H PHE A 83 7.195 -1.951 2.314 1.00 0.00 H ATOM 532 N GLN A 84 6.509 -2.158 5.173 1.00 9.98 N ATOM 533 CA GLN A 84 5.536 -1.971 6.258 1.00 10.74 C ATOM 534 C GLN A 84 5.751 -2.888 7.484 1.00 10.53 C ATOM 535 O GLN A 84 5.017 -2.836 8.454 1.00 11.74 O ATOM 536 CB GLN A 84 4.099 -2.105 5.724 1.00 11.57 C ATOM 537 CG GLN A 84 3.647 -0.921 4.943 1.00 12.40 C ATOM 538 CD GLN A 84 2.272 -1.155 4.316 1.00 13.29 C ATOM 539 OE1 GLN A 84 1.915 -2.276 3.953 1.00 14.72 O ATOM 540 NE2 GLN A 84 1.505 -0.095 4.216 1.00 14.24 N ATOM 541 HE22 GLN A 84 1.853 0.831 4.537 1.00 0.00 H ATOM 542 HE21 GLN A 84 0.549 -0.181 3.816 1.00 0.00 H ATOM 543 H GLN A 84 6.280 -2.808 4.395 1.00 0.00 H ATOM 544 N GLN A 85 6.743 -3.757 7.398 1.00 10.01 N ATOM 545 CA GLN A 85 7.005 -4.729 8.439 1.00 10.53 C ATOM 546 C GLN A 85 8.468 -5.141 8.386 1.00 11.08 C ATOM 547 O GLN A 85 9.119 -4.987 7.347 1.00 10.77 O ATOM 548 CB GLN A 85 6.095 -5.947 8.307 1.00 10.92 C ATOM 549 CG GLN A 85 6.277 -6.751 7.033 1.00 11.76 C ATOM 550 CD GLN A 85 5.695 -6.055 5.803 1.00 12.07 C ATOM 551 OE1 GLN A 85 4.549 -5.576 5.855 1.00 14.84 O ATOM 552 NE2 GLN A 85 6.484 -5.952 4.736 1.00 12.67 N ATOM 553 HE22 GLN A 85 7.435 -6.373 4.750 1.00 0.00 H ATOM 554 HE21 GLN A 85 6.150 -5.450 3.889 1.00 0.00 H ATOM 555 H GLN A 85 7.354 -3.742 6.557 1.00 0.00 H ATOM 556 N PRO A 86 8.996 -5.652 9.514 1.00 11.20 N ATOM 557 CA PRO A 86 10.327 -6.232 9.446 1.00 11.66 C ATOM 558 C PRO A 86 10.473 -7.254 8.325 1.00 11.55 C ATOM 559 O PRO A 86 9.540 -7.995 8.034 1.00 12.00 O ATOM 560 CB PRO A 86 10.486 -6.896 10.802 1.00 12.18 C ATOM 561 CG PRO A 86 9.597 -6.105 11.741 1.00 11.55 C ATOM 562 CD PRO A 86 8.423 -5.711 10.875 1.00 11.70 C ATOM 563 N VAL A 87 11.617 -7.252 7.673 1.00 10.41 N ATOM 564 CA VAL A 87 11.824 -8.147 6.557 1.00 10.38 C ATOM 565 C VAL A 87 11.688 -9.601 6.989 1.00 10.79 C ATOM 566 O VAL A 87 12.352 -10.070 7.879 1.00 11.30 O ATOM 567 CB VAL A 87 13.169 -7.889 5.885 1.00 9.41 C ATOM 568 CG1 VAL A 87 13.510 -8.989 4.846 1.00 10.01 C ATOM 569 CG2 VAL A 87 13.176 -6.512 5.231 1.00 9.42 C ATOM 570 H VAL A 87 12.376 -6.603 7.963 1.00 0.00 H ATOM 571 N ASP A 88 10.745 -10.298 6.373 1.00 11.29 N ATOM 572 CA ASP A 88 10.554 -11.707 6.620 1.00 12.60 C ATOM 573 C ASP A 88 11.383 -12.448 5.595 1.00 13.17 C ATOM 574 O ASP A 88 10.916 -12.783 4.505 1.00 12.65 O ATOM 575 CB ASP A 88 9.088 -12.067 6.517 1.00 14.11 C ATOM 576 CG ASP A 88 8.820 -13.516 6.897 1.00 16.22 C ATOM 577 OD1 ASP A 88 9.733 -14.374 6.964 1.00 16.65 O ATOM 578 OD2 ASP A 88 7.648 -13.802 7.186 1.00 21.99 O ATOM 579 H ASP A 88 10.124 -9.816 5.692 1.00 0.00 H ATOM 580 N ALA A 89 12.633 -12.690 5.959 1.00 12.10 N ATOM 581 CA ALA A 89 13.594 -13.327 5.053 1.00 12.73 C ATOM 582 C ALA A 89 13.244 -14.789 4.789 1.00 13.18 C ATOM 583 O ALA A 89 13.605 -15.338 3.750 1.00 13.83 O ATOM 584 CB ALA A 89 15.024 -13.195 5.591 1.00 13.40 C ATOM 585 H ALA A 89 12.942 -12.421 6.915 1.00 0.00 H ATOM 586 N VAL A 90 12.523 -15.407 5.722 1.00 14.06 N ATOM 587 CA VAL A 90 12.083 -16.792 5.545 1.00 15.29 C ATOM 588 C VAL A 90 11.008 -16.851 4.440 1.00 15.54 C ATOM 589 O VAL A 90 11.185 -17.530 3.416 1.00 17.71 O ATOM 590 CB VAL A 90 11.597 -17.394 6.876 1.00 16.90 C ATOM 591 CG1 VAL A 90 10.978 -18.778 6.617 1.00 17.42 C ATOM 592 CG2 VAL A 90 12.748 -17.479 7.866 1.00 17.23 C ATOM 593 H VAL A 90 12.268 -14.897 6.592 1.00 0.00 H ATOM 594 N LYS A 91 9.911 -16.132 4.632 1.00 14.60 N ATOM 595 CA LYS A 91 8.822 -16.035 3.604 1.00 14.90 C ATOM 596 C LYS A 91 9.312 -15.638 2.240 1.00 14.78 C ATOM 597 O LYS A 91 8.902 -16.197 1.212 1.00 15.48 O ATOM 598 CB LYS A 91 7.767 -15.029 4.030 1.00 15.73 C ATOM 599 CG LYS A 91 6.612 -14.928 3.040 1.00 16.59 C ATOM 600 CD LYS A 91 5.609 -13.909 3.494 1.00 17.68 C ATOM 601 CE LYS A 91 4.548 -13.729 2.426 1.00 17.35 C ATOM 602 NZ LYS A 91 3.612 -12.653 2.827 1.00 18.97 N ATOM 603 HZ1 LYS A 91 3.156 -12.909 3.726 1.00 0.00 H ATOM 604 HZ2 LYS A 91 4.138 -11.763 2.944 1.00 0.00 H ATOM 605 HZ3 LYS A 91 2.887 -12.534 2.091 1.00 0.00 H ATOM 606 H LYS A 91 9.801 -15.616 5.528 1.00 0.00 H ATOM 607 N LEU A 92 10.183 -14.633 2.186 1.00 13.93 N ATOM 608 CA LEU A 92 10.635 -14.084 0.928 1.00 13.25 C ATOM 609 C LEU A 92 11.799 -14.821 0.277 1.00 13.21 C ATOM 610 O LEU A 92 12.283 -14.422 -0.753 1.00 13.95 O ATOM 611 CB LEU A 92 10.980 -12.601 1.113 1.00 13.37 C ATOM 612 CG LEU A 92 9.852 -11.771 1.675 1.00 14.11 C ATOM 613 CD1 LEU A 92 10.315 -10.368 2.025 1.00 13.64 C ATOM 614 CD2 LEU A 92 8.678 -11.739 0.709 1.00 14.24 C ATOM 615 H LEU A 92 10.548 -14.232 3.073 1.00 0.00 H ATOM 616 N ASN A 93 12.278 -15.871 0.943 1.00 14.38 N ATOM 617 CA ASN A 93 13.379 -16.672 0.458 1.00 15.03 C ATOM 618 C ASN A 93 14.595 -15.809 0.159 1.00 13.78 C ATOM 619 O ASN A 93 15.174 -15.812 -0.930 1.00 13.59 O ATOM 620 CB ASN A 93 12.931 -17.469 -0.774 1.00 17.94 C ATOM 621 CG ASN A 93 13.829 -18.619 -1.063 1.00 22.81 C ATOM 622 OD1 ASN A 93 14.506 -19.128 -0.168 1.00 26.99 O ATOM 623 ND2 ASN A 93 13.844 -19.052 -2.307 1.00 27.47 N ATOM 624 HD22 ASN A 93 13.254 -18.588 -3.026 1.00 0.00 H ATOM 625 HD21 ASN A 93 14.446 -19.858 -2.570 1.00 0.00 H ATOM 626 H ASN A 93 11.840 -16.125 1.852 1.00 0.00 H ATOM 627 N LEU A 94 14.960 -15.027 1.183 1.00 12.60 N ATOM 628 CA LEU A 94 16.136 -14.159 1.163 1.00 11.82 C ATOM 629 C LEU A 94 17.103 -14.566 2.261 1.00 11.87 C ATOM 630 O LEU A 94 17.328 -13.825 3.263 1.00 11.59 O ATOM 631 CB LEU A 94 15.736 -12.679 1.353 1.00 11.13 C ATOM 632 CG LEU A 94 14.720 -12.055 0.366 1.00 10.57 C ATOM 633 CD1 LEU A 94 14.460 -10.604 0.717 1.00 10.96 C ATOM 634 CD2 LEU A 94 15.184 -12.117 -1.075 1.00 10.46 C ATOM 635 H LEU A 94 14.373 -15.038 2.042 1.00 0.00 H ATOM 636 N PRO A 95 17.719 -15.755 2.116 1.00 11.30 N ATOM 637 CA PRO A 95 18.519 -16.262 3.229 1.00 11.23 C ATOM 638 C PRO A 95 19.742 -15.480 3.531 1.00 11.38 C ATOM 639 O PRO A 95 20.245 -15.619 4.646 1.00 12.41 O ATOM 640 CB PRO A 95 18.844 -17.710 2.786 1.00 11.15 C ATOM 641 CG PRO A 95 18.742 -17.650 1.322 1.00 11.42 C ATOM 642 CD PRO A 95 17.544 -16.791 1.096 1.00 11.77 C ATOM 643 N ASP A 96 20.212 -14.651 2.594 1.00 10.91 N ATOM 644 CA ASP A 96 21.316 -13.746 2.829 1.00 11.13 C ATOM 645 C ASP A 96 20.962 -12.403 3.450 1.00 10.66 C ATOM 646 O ASP A 96 21.862 -11.604 3.725 1.00 11.29 O ATOM 647 CB ASP A 96 22.081 -13.509 1.519 1.00 11.88 C ATOM 648 CG ASP A 96 21.245 -12.963 0.411 1.00 12.20 C ATOM 649 OD1 ASP A 96 20.003 -12.861 0.575 1.00 13.07 O ATOM 650 OD2 ASP A 96 21.823 -12.660 -0.665 1.00 15.05 O ATOM 651 H ASP A 96 19.765 -14.657 1.655 1.00 0.00 H ATOM 652 N TYR A 97 19.663 -12.126 3.659 1.00 9.24 N ATOM 653 CA TYR A 97 19.308 -10.733 3.987 1.00 9.06 C ATOM 654 C TYR A 97 19.953 -10.278 5.293 1.00 8.60 C ATOM 655 O TYR A 97 20.571 -9.245 5.344 1.00 8.26 O ATOM 656 CB TYR A 97 17.771 -10.560 4.074 1.00 8.92 C ATOM 657 CG TYR A 97 17.413 -9.099 4.249 1.00 8.42 C ATOM 658 CD1 TYR A 97 17.378 -8.228 3.178 1.00 8.17 C ATOM 659 CD2 TYR A 97 17.187 -8.589 5.500 1.00 8.89 C ATOM 660 CE1 TYR A 97 17.114 -6.878 3.361 1.00 8.55 C ATOM 661 CE2 TYR A 97 16.942 -7.263 5.720 1.00 8.88 C ATOM 662 CZ TYR A 97 16.872 -6.396 4.631 1.00 8.47 C ATOM 663 OH TYR A 97 16.628 -5.050 4.793 1.00 8.69 O ATOM 664 HH TYR A 97 16.617 -4.609 3.907 1.00 0.00 H ATOM 665 H TYR A 97 18.936 -12.867 3.592 1.00 0.00 H ATOM 666 N TYR A 98 19.798 -11.064 6.332 1.00 8.79 N ATOM 667 CA TYR A 98 20.342 -10.693 7.659 1.00 9.15 C ATOM 668 C TYR A 98 21.829 -11.051 7.839 1.00 9.89 C ATOM 669 O TYR A 98 22.428 -10.747 8.879 1.00 12.18 O ATOM 670 CB TYR A 98 19.484 -11.248 8.772 1.00 8.88 C ATOM 671 CG TYR A 98 18.123 -10.611 8.814 1.00 8.66 C ATOM 672 CD1 TYR A 98 17.964 -9.312 9.218 1.00 8.64 C ATOM 673 CD2 TYR A 98 16.994 -11.311 8.426 1.00 8.76 C ATOM 674 CE1 TYR A 98 16.712 -8.719 9.260 1.00 8.52 C ATOM 675 CE2 TYR A 98 15.716 -10.743 8.475 1.00 9.20 C ATOM 676 CZ TYR A 98 15.571 -9.430 8.921 1.00 8.34 C ATOM 677 OH TYR A 98 14.349 -8.748 9.059 1.00 9.43 O ATOM 678 HH TYR A 98 13.897 -8.701 8.179 1.00 0.00 H ATOM 679 H TYR A 98 19.285 -11.962 6.222 1.00 0.00 H ATOM 680 N LYS A 99 22.430 -11.645 6.798 1.00 10.84 N ATOM 681 CA LYS A 99 23.898 -11.725 6.702 1.00 11.71 C ATOM 682 C LYS A 99 24.493 -10.418 6.275 1.00 11.68 C ATOM 683 O LYS A 99 25.603 -10.049 6.670 1.00 12.53 O ATOM 684 CB LYS A 99 24.323 -12.774 5.697 1.00 12.62 C ATOM 685 CG LYS A 99 23.781 -14.165 5.802 1.00 15.70 C ATOM 686 CD LYS A 99 23.996 -14.764 7.100 1.00 16.85 C ATOM 687 CE LYS A 99 23.548 -16.212 7.210 1.00 18.96 C ATOM 688 NZ LYS A 99 23.452 -16.592 8.657 1.00 20.87 N ATOM 689 HZ1 LYS A 99 24.383 -16.480 9.106 1.00 0.00 H ATOM 690 HZ2 LYS A 99 22.761 -15.976 9.131 1.00 0.00 H ATOM 691 HZ3 LYS A 99 23.145 -17.583 8.734 1.00 0.00 H ATOM 692 H LYS A 99 21.847 -12.058 6.042 1.00 0.00 H ATOM 693 N ILE A 100 23.765 -9.697 5.432 1.00 10.86 N ATOM 694 CA ILE A 100 24.217 -8.445 4.833 1.00 11.11 C ATOM 695 C ILE A 100 23.746 -7.221 5.617 1.00 11.55 C ATOM 696 O ILE A 100 24.483 -6.241 5.780 1.00 11.74 O ATOM 697 CB ILE A 100 23.730 -8.377 3.349 1.00 11.20 C ATOM 698 CG1 ILE A 100 24.390 -9.480 2.501 1.00 11.77 C ATOM 699 CG2 ILE A 100 23.939 -7.004 2.736 1.00 12.07 C ATOM 700 CD1 ILE A 100 23.719 -9.702 1.151 1.00 11.95 C ATOM 701 H ILE A 100 22.817 -10.044 5.183 1.00 0.00 H ATOM 702 N ILE A 101 22.477 -7.254 6.049 1.00 10.36 N ATOM 703 CA ILE A 101 21.853 -6.144 6.780 1.00 10.69 C ATOM 704 C ILE A 101 21.827 -6.437 8.258 1.00 10.51 C ATOM 705 O ILE A 101 21.070 -7.308 8.713 1.00 10.95 O ATOM 706 CB ILE A 101 20.432 -5.900 6.257 1.00 10.57 C ATOM 707 CG1 ILE A 101 20.467 -5.577 4.736 1.00 10.51 C ATOM 708 CG2 ILE A 101 19.708 -4.843 7.058 1.00 11.40 C ATOM 709 CD1 ILE A 101 21.298 -4.393 4.339 1.00 10.62 C ATOM 710 H ILE A 101 21.909 -8.104 5.858 1.00 0.00 H ATOM 711 N LYS A 102 22.664 -5.722 9.012 1.00 10.91 N ATOM 712 CA LYS A 102 22.807 -5.933 10.444 1.00 11.81 C ATOM 713 C LYS A 102 22.114 -4.859 11.265 1.00 11.54 C ATOM 714 O LYS A 102 22.039 -5.001 12.458 1.00 12.95 O ATOM 715 CB LYS A 102 24.299 -5.941 10.864 1.00 13.22 C ATOM 716 CG LYS A 102 25.203 -6.894 10.132 1.00 14.76 C ATOM 717 CD LYS A 102 24.685 -8.290 10.257 1.00 15.98 C ATOM 718 CE LYS A 102 25.696 -9.373 9.996 1.00 17.71 C ATOM 719 NZ LYS A 102 24.976 -10.655 10.067 1.00 18.59 N ATOM 720 HZ1 LYS A 102 24.555 -10.763 11.012 1.00 0.00 H ATOM 721 HZ2 LYS A 102 24.225 -10.670 9.348 1.00 0.00 H ATOM 722 HZ3 LYS A 102 25.641 -11.435 9.892 1.00 0.00 H ATOM 723 H LYS A 102 23.238 -4.983 8.557 1.00 0.00 H ATOM 724 N THR A 103 21.598 -3.803 10.629 1.00 10.82 N ATOM 725 CA THR A 103 20.779 -2.817 11.291 1.00 12.34 C ATOM 726 C THR A 103 19.427 -2.685 10.587 1.00 10.93 C ATOM 727 O THR A 103 19.143 -1.726 9.894 1.00 11.42 O ATOM 728 CB THR A 103 21.495 -1.457 11.380 1.00 15.47 C ATOM 729 OG1 THR A 103 22.778 -1.669 12.015 1.00 18.44 O ATOM 730 CG2 THR A 103 20.748 -0.559 12.283 1.00 17.85 C ATOM 731 HG1 THR A 103 23.258 -0.806 12.083 1.00 0.00 H ATOM 732 H THR A 103 21.795 -3.687 9.614 1.00 0.00 H ATOM 733 N PRO A 104 18.581 -3.722 10.691 1.00 9.98 N ATOM 734 CA PRO A 104 17.308 -3.692 9.959 1.00 9.90 C ATOM 735 C PRO A 104 16.384 -2.603 10.497 1.00 9.47 C ATOM 736 O PRO A 104 16.472 -2.246 11.679 1.00 10.16 O ATOM 737 CB PRO A 104 16.680 -5.049 10.251 1.00 10.97 C ATOM 738 CG PRO A 104 17.488 -5.646 11.307 1.00 11.54 C ATOM 739 CD PRO A 104 18.740 -4.917 11.511 1.00 10.72 C ATOM 740 N MET A 105 15.591 -2.016 9.598 1.00 8.68 N ATOM 741 CA MET A 105 14.612 -1.044 9.989 1.00 8.86 C ATOM 742 C MET A 105 13.500 -1.013 8.942 1.00 9.52 C ATOM 743 O MET A 105 13.763 -1.214 7.777 1.00 10.30 O ATOM 744 CB MET A 105 15.252 0.342 10.171 1.00 9.05 C ATOM 745 CG MET A 105 14.293 1.389 10.763 1.00 9.82 C ATOM 746 SD MET A 105 13.427 0.947 12.274 1.00 10.79 S ATOM 747 CE MET A 105 14.791 0.512 13.364 1.00 9.99 C ATOM 748 H MET A 105 15.685 -2.269 8.594 1.00 0.00 H ATOM 749 N ASP A 106 12.303 -0.787 9.418 1.00 9.85 N ATOM 750 CA ASP A 106 11.108 -0.762 8.577 1.00 9.98 C ATOM 751 C ASP A 106 10.070 0.237 9.073 1.00 10.33 C ATOM 752 O ASP A 106 10.137 0.678 10.209 1.00 9.88 O ATOM 753 CB ASP A 106 10.510 -2.158 8.560 1.00 10.60 C ATOM 754 CG ASP A 106 9.937 -2.539 9.908 1.00 10.69 C ATOM 755 OD1 ASP A 106 10.722 -2.973 10.790 1.00 12.72 O ATOM 756 OD2 ASP A 106 8.722 -2.326 10.115 1.00 11.99 O ATOM 757 H ASP A 106 12.197 -0.618 10.439 1.00 0.00 H ATOM 758 N MET A 107 9.101 0.569 8.226 1.00 10.23 N ATOM 759 CA MET A 107 8.098 1.578 8.589 1.00 11.15 C ATOM 760 C MET A 107 7.102 1.098 9.617 1.00 10.58 C ATOM 761 O MET A 107 6.494 1.918 10.327 1.00 11.22 O ATOM 762 CB MET A 107 7.338 2.122 7.382 1.00 12.17 C ATOM 763 CG MET A 107 8.186 2.877 6.417 1.00 13.13 C ATOM 764 SD MET A 107 7.185 3.989 5.398 1.00 16.39 S ATOM 765 CE MET A 107 6.403 2.838 4.306 1.00 15.48 C ATOM 766 H MET A 107 9.053 0.108 7.295 1.00 0.00 H ATOM 767 N GLY A 108 6.883 -0.213 9.721 1.00 10.02 N ATOM 768 CA GLY A 108 6.056 -0.790 10.797 1.00 10.33 C ATOM 769 C GLY A 108 6.637 -0.491 12.165 1.00 10.58 C ATOM 770 O GLY A 108 5.948 -0.037 13.064 1.00 11.69 O ATOM 771 H GLY A 108 7.310 -0.851 9.019 1.00 0.00 H ATOM 772 N THR A 109 7.934 -0.735 12.297 1.00 10.19 N ATOM 773 CA THR A 109 8.686 -0.403 13.492 1.00 9.76 C ATOM 774 C THR A 109 8.619 1.106 13.759 1.00 9.85 C ATOM 775 O THR A 109 8.390 1.517 14.909 1.00 9.05 O ATOM 776 CB THR A 109 10.127 -0.868 13.356 1.00 9.76 C ATOM 777 OG1 THR A 109 10.090 -2.291 13.241 1.00 10.57 O ATOM 778 CG2 THR A 109 10.970 -0.467 14.560 1.00 10.36 C ATOM 779 HG1 THR A 109 9.670 -2.676 14.051 1.00 0.00 H ATOM 780 H THR A 109 8.436 -1.186 11.506 1.00 0.00 H ATOM 781 N ILE A 110 8.888 1.925 12.741 1.00 9.05 N ATOM 782 CA ILE A 110 8.901 3.398 12.892 1.00 9.43 C ATOM 783 C ILE A 110 7.509 3.847 13.347 1.00 9.90 C ATOM 784 O ILE A 110 7.357 4.689 14.262 1.00 10.04 O ATOM 785 CB ILE A 110 9.306 4.127 11.622 1.00 9.58 C ATOM 786 CG1 ILE A 110 10.774 3.829 11.256 1.00 9.59 C ATOM 787 CG2 ILE A 110 9.111 5.624 11.768 1.00 9.94 C ATOM 788 CD1 ILE A 110 11.199 4.202 9.845 1.00 9.88 C ATOM 789 H ILE A 110 9.096 1.514 11.808 1.00 0.00 H ATOM 790 N LYS A 111 6.489 3.321 12.685 1.00 10.43 N ATOM 791 CA LYS A 111 5.102 3.661 13.070 1.00 11.67 C ATOM 792 C LYS A 111 4.792 3.343 14.506 1.00 11.71 C ATOM 793 O LYS A 111 4.247 4.191 15.218 1.00 11.74 O ATOM 794 CB LYS A 111 4.121 2.894 12.186 1.00 13.39 C ATOM 795 CG LYS A 111 2.662 3.195 12.427 1.00 15.99 C ATOM 796 CD LYS A 111 1.863 2.526 11.318 1.00 18.60 C ATOM 797 CE LYS A 111 0.404 2.930 11.392 1.00 22.44 C ATOM 798 NZ LYS A 111 -0.206 2.158 12.489 1.00 24.59 N ATOM 799 HZ1 LYS A 111 -0.117 1.142 12.287 1.00 0.00 H ATOM 800 HZ2 LYS A 111 0.282 2.380 13.380 1.00 0.00 H ATOM 801 HZ3 LYS A 111 -1.212 2.409 12.571 1.00 0.00 H ATOM 802 H LYS A 111 6.664 2.669 11.894 1.00 0.00 H ATOM 803 N LYS A 112 5.171 2.157 14.957 1.00 11.24 N ATOM 804 CA LYS A 112 4.938 1.760 16.324 1.00 13.50 C ATOM 805 C LYS A 112 5.758 2.652 17.299 1.00 12.59 C ATOM 806 O LYS A 112 5.266 3.074 18.368 1.00 11.98 O ATOM 807 CB LYS A 112 5.282 0.288 16.507 1.00 17.02 C ATOM 808 CG LYS A 112 4.213 -0.686 16.043 1.00 22.46 C ATOM 809 CD LYS A 112 3.102 -1.014 17.069 1.00 28.36 C ATOM 810 CE LYS A 112 3.002 -0.138 18.332 1.00 32.01 C ATOM 811 NZ LYS A 112 1.622 0.332 18.664 1.00 35.89 N ATOM 812 HZ1 LYS A 112 1.251 0.900 17.875 1.00 0.00 H ATOM 813 HZ2 LYS A 112 1.005 -0.491 18.820 1.00 0.00 H ATOM 814 HZ3 LYS A 112 1.653 0.913 19.526 1.00 0.00 H ATOM 815 H LYS A 112 5.648 1.496 14.311 1.00 0.00 H ATOM 816 N ARG A 113 6.980 2.979 16.897 1.00 10.06 N ATOM 817 CA ARG A 113 7.826 3.850 17.744 1.00 10.30 C ATOM 818 C ARG A 113 7.178 5.231 17.898 1.00 10.48 C ATOM 819 O ARG A 113 7.102 5.768 19.014 1.00 11.29 O ATOM 820 CB ARG A 113 9.252 3.969 17.176 1.00 9.81 C ATOM 821 CG ARG A 113 10.118 2.739 17.435 1.00 9.37 C ATOM 822 CD ARG A 113 11.447 2.834 16.760 1.00 8.99 C ATOM 823 NE ARG A 113 12.221 1.663 17.194 1.00 8.79 N ATOM 824 CZ ARG A 113 13.533 1.525 17.035 1.00 9.50 C ATOM 825 NH1 ARG A 113 14.246 2.436 16.414 1.00 10.71 N ATOM 826 NH2 ARG A 113 14.112 0.446 17.521 1.00 10.53 N ATOM 827 HE ARG A 113 11.706 0.888 17.658 1.00 0.00 H ATOM 828 HH12 ARG A 113 15.272 2.306 16.302 1.00 0.00 H ATOM 829 HH11 ARG A 113 13.785 3.288 16.034 1.00 0.00 H ATOM 830 HH22 ARG A 113 15.137 0.312 17.411 1.00 0.00 H ATOM 831 HH21 ARG A 113 13.544 -0.272 18.015 1.00 0.00 H ATOM 832 H ARG A 113 7.342 2.624 15.989 1.00 0.00 H ATOM 833 N LEU A 114 6.687 5.808 16.813 1.00 11.06 N ATOM 834 CA LEU A 114 5.993 7.094 16.887 1.00 11.55 C ATOM 835 C LEU A 114 4.740 7.010 17.740 1.00 13.04 C ATOM 836 O LEU A 114 4.490 7.912 18.571 1.00 13.10 O ATOM 837 CB LEU A 114 5.637 7.599 15.484 1.00 11.47 C ATOM 838 CG LEU A 114 6.873 8.061 14.703 1.00 11.93 C ATOM 839 CD1 LEU A 114 6.600 8.203 13.201 1.00 12.45 C ATOM 840 CD2 LEU A 114 7.413 9.387 15.248 1.00 12.56 C ATOM 841 H LEU A 114 6.796 5.339 15.891 1.00 0.00 H ATOM 842 N GLU A 115 3.971 5.946 17.567 1.00 14.23 N ATOM 843 CA GLU A 115 2.716 5.759 18.343 1.00 16.08 C ATOM 844 C GLU A 115 2.981 5.591 19.834 1.00 16.72 C ATOM 845 O GLU A 115 2.187 5.992 20.671 1.00 18.01 O ATOM 846 CB GLU A 115 1.919 4.569 17.818 1.00 18.40 C ATOM 847 CG GLU A 115 1.304 4.847 16.481 1.00 20.42 C ATOM 848 CD GLU A 115 0.782 3.603 15.787 1.00 21.74 C ATOM 849 OE1 GLU A 115 1.004 2.475 16.283 1.00 26.09 O ATOM 850 OE2 GLU A 115 0.174 3.777 14.704 1.00 26.11 O ATOM 851 H GLU A 115 4.251 5.224 16.872 1.00 0.00 H ATOM 852 N ASN A 116 4.124 5.015 20.151 1.00 14.43 N ATOM 853 CA ASN A 116 4.547 4.768 21.534 1.00 16.01 C ATOM 854 C ASN A 116 5.385 5.896 22.100 1.00 15.78 C ATOM 855 O ASN A 116 5.920 5.750 23.192 1.00 17.98 O ATOM 856 CB ASN A 116 5.362 3.484 21.617 1.00 17.43 C ATOM 857 CG ASN A 116 4.559 2.236 21.412 1.00 18.96 C ATOM 858 OD1 ASN A 116 3.324 2.252 21.347 1.00 21.76 O ATOM 859 ND2 ASN A 116 5.273 1.115 21.322 1.00 18.27 N ATOM 860 HD22 ASN A 116 6.311 1.153 21.383 1.00 0.00 H ATOM 861 HD21 ASN A 116 4.793 0.202 21.191 1.00 0.00 H ATOM 862 H ASN A 116 4.758 4.721 19.381 1.00 0.00 H ATOM 863 N ASN A 117 5.568 6.976 21.360 1.00 15.23 N ATOM 864 CA ASN A 117 6.329 8.142 21.776 1.00 15.49 C ATOM 865 C ASN A 117 7.753 7.754 22.154 1.00 15.14 C ATOM 866 O ASN A 117 8.268 8.267 23.110 1.00 16.25 O ATOM 867 CB ASN A 117 5.632 8.837 22.964 1.00 17.37 C ATOM 868 CG ASN A 117 4.277 9.397 22.575 1.00 20.64 C ATOM 869 OD1 ASN A 117 4.162 10.122 21.587 1.00 24.68 O ATOM 870 ND2 ASN A 117 3.255 9.042 23.322 1.00 25.35 N ATOM 871 HD22 ASN A 117 3.403 8.427 24.148 1.00 0.00 H ATOM 872 HD21 ASN A 117 2.298 9.376 23.087 1.00 0.00 H ATOM 873 H ASN A 117 5.137 6.992 20.414 1.00 0.00 H ATOM 874 N TYR A 118 8.356 6.816 21.419 1.00 11.91 N ATOM 875 CA TYR A 118 9.681 6.224 21.705 1.00 11.74 C ATOM 876 C TYR A 118 10.881 7.171 21.542 1.00 11.11 C ATOM 877 O TYR A 118 11.944 6.962 22.141 1.00 10.76 O ATOM 878 CB TYR A 118 9.834 4.983 20.790 1.00 10.91 C ATOM 879 CG TYR A 118 11.128 4.195 20.836 1.00 10.85 C ATOM 880 CD1 TYR A 118 11.292 3.175 21.724 1.00 11.29 C ATOM 881 CD2 TYR A 118 12.183 4.468 19.959 1.00 11.15 C ATOM 882 CE1 TYR A 118 12.429 2.415 21.746 1.00 11.23 C ATOM 883 CE2 TYR A 118 13.338 3.728 19.997 1.00 11.32 C ATOM 884 CZ TYR A 118 13.438 2.699 20.893 1.00 11.85 C ATOM 885 OH TYR A 118 14.595 1.989 20.911 1.00 14.30 O ATOM 886 HH TYR A 118 14.535 1.280 21.599 1.00 0.00 H ATOM 887 H TYR A 118 7.852 6.474 20.576 1.00 0.00 H ATOM 888 N TYR A 119 10.739 8.144 20.646 1.00 10.19 N ATOM 889 CA TYR A 119 11.846 8.994 20.271 1.00 9.99 C ATOM 890 C TYR A 119 12.005 10.185 21.240 1.00 10.27 C ATOM 891 O TYR A 119 11.019 10.655 21.830 1.00 10.34 O ATOM 892 CB TYR A 119 11.642 9.518 18.852 1.00 10.40 C ATOM 893 CG TYR A 119 11.564 8.422 17.807 1.00 10.00 C ATOM 894 CD1 TYR A 119 12.687 7.713 17.479 1.00 9.78 C ATOM 895 CD2 TYR A 119 10.399 8.152 17.121 1.00 9.86 C ATOM 896 CE1 TYR A 119 12.685 6.733 16.500 1.00 9.31 C ATOM 897 CE2 TYR A 119 10.379 7.169 16.144 1.00 9.99 C ATOM 898 CZ TYR A 119 11.541 6.491 15.821 1.00 10.01 C ATOM 899 OH TYR A 119 11.483 5.578 14.798 1.00 10.19 O ATOM 900 HH TYR A 119 12.375 5.168 14.672 1.00 0.00 H ATOM 901 H TYR A 119 9.810 8.297 20.205 1.00 0.00 H ATOM 902 N TRP A 120 13.225 10.660 21.347 1.00 10.52 N ATOM 903 CA TRP A 120 13.548 11.893 22.083 1.00 11.33 C ATOM 904 C TRP A 120 13.447 13.128 21.156 1.00 11.56 C ATOM 905 O TRP A 120 13.125 14.232 21.604 1.00 12.54 O ATOM 906 CB TRP A 120 14.960 11.777 22.641 1.00 10.83 C ATOM 907 CG TRP A 120 15.465 13.007 23.332 1.00 11.28 C ATOM 908 CD1 TRP A 120 16.250 13.965 22.793 1.00 12.16 C ATOM 909 CD2 TRP A 120 15.169 13.408 24.651 1.00 10.55 C ATOM 910 NE1 TRP A 120 16.531 14.917 23.740 1.00 12.21 N ATOM 911 CE2 TRP A 120 15.839 14.613 24.884 1.00 10.84 C ATOM 912 CE3 TRP A 120 14.396 12.856 25.664 1.00 9.96 C ATOM 913 CZ2 TRP A 120 15.783 15.277 26.113 1.00 11.38 C ATOM 914 CZ3 TRP A 120 14.351 13.527 26.912 1.00 10.56 C ATOM 915 CH2 TRP A 120 15.023 14.721 27.094 1.00 10.79 C ATOM 916 HE1 TRP A 120 17.163 15.733 23.612 1.00 0.00 H ATOM 917 H TRP A 120 14.000 10.140 20.889 1.00 0.00 H ATOM 918 N ASN A 121 13.779 12.962 19.866 1.00 11.43 N ATOM 919 CA ASN A 121 13.777 14.089 18.943 1.00 12.72 C ATOM 920 C ASN A 121 13.521 13.618 17.537 1.00 13.22 C ATOM 921 O ASN A 121 13.498 12.426 17.273 1.00 12.80 O ATOM 922 CB ASN A 121 15.061 14.919 19.004 1.00 13.35 C ATOM 923 CG ASN A 121 16.317 14.155 18.614 1.00 14.14 C ATOM 924 OD1 ASN A 121 16.259 13.151 17.937 1.00 15.12 O ATOM 925 ND2 ASN A 121 17.484 14.593 19.126 1.00 16.04 N ATOM 926 HD22 ASN A 121 17.507 15.457 19.704 1.00 0.00 H ATOM 927 HD21 ASN A 121 18.362 14.067 18.943 1.00 0.00 H ATOM 928 H ASN A 121 14.041 12.017 19.521 1.00 0.00 H ATOM 929 N ALA A 122 13.386 14.564 16.634 1.00 13.44 N ATOM 930 CA ALA A 122 13.098 14.194 15.244 1.00 14.14 C ATOM 931 C ALA A 122 14.261 13.485 14.586 1.00 13.29 C ATOM 932 O ALA A 122 14.051 12.606 13.743 1.00 13.03 O ATOM 933 CB ALA A 122 12.680 15.429 14.450 1.00 15.40 C ATOM 934 H ALA A 122 13.482 15.564 16.902 1.00 0.00 H ATOM 935 N GLN A 123 15.481 13.808 14.970 1.00 12.45 N ATOM 936 CA GLN A 123 16.678 13.193 14.394 1.00 12.69 C ATOM 937 C GLN A 123 16.656 11.693 14.579 1.00 12.17 C ATOM 938 O GLN A 123 16.948 10.965 13.627 1.00 12.10 O ATOM 939 CB GLN A 123 17.980 13.776 14.955 1.00 13.89 C ATOM 940 CG GLN A 123 19.245 13.398 14.172 1.00 16.43 C ATOM 941 CD GLN A 123 19.859 12.017 14.406 1.00 19.57 C ATOM 942 OE1 GLN A 123 20.397 11.381 13.452 1.00 24.62 O ATOM 943 NE2 GLN A 123 19.765 11.509 15.631 1.00 22.75 N ATOM 944 HE22 GLN A 123 19.316 12.061 16.390 1.00 0.00 H ATOM 945 HE21 GLN A 123 20.140 10.560 15.830 1.00 0.00 H ATOM 946 H GLN A 123 15.597 14.528 15.711 1.00 0.00 H ATOM 947 N GLU A 124 16.261 11.206 15.764 1.00 11.07 N ATOM 948 CA GLU A 124 16.245 9.758 15.953 1.00 10.98 C ATOM 949 C GLU A 124 15.295 9.046 14.974 1.00 11.33 C ATOM 950 O GLU A 124 15.624 7.995 14.470 1.00 11.68 O ATOM 951 CB GLU A 124 15.834 9.382 17.366 1.00 11.13 C ATOM 952 CG GLU A 124 16.778 9.885 18.451 1.00 12.12 C ATOM 953 CD GLU A 124 16.412 9.440 19.847 1.00 12.16 C ATOM 954 OE1 GLU A 124 15.251 9.135 20.100 1.00 11.36 O ATOM 955 OE2 GLU A 124 17.348 9.441 20.705 1.00 15.81 O ATOM 956 H GLU A 124 15.972 11.845 16.532 1.00 0.00 H ATOM 957 N CYS A 125 14.140 9.645 14.728 1.00 10.74 N ATOM 958 CA CYS A 125 13.171 9.042 13.817 1.00 10.58 C ATOM 959 C CYS A 125 13.619 9.117 12.361 1.00 10.52 C ATOM 960 O CYS A 125 13.538 8.156 11.592 1.00 10.76 O ATOM 961 CB CYS A 125 11.804 9.709 14.020 1.00 11.07 C ATOM 962 SG CYS A 125 10.537 9.226 12.820 1.00 12.20 S ATOM 963 H CYS A 125 13.921 10.552 15.187 1.00 0.00 H ATOM 964 N ILE A 126 14.108 10.275 11.979 1.00 11.04 N ATOM 965 CA ILE A 126 14.689 10.449 10.634 1.00 11.31 C ATOM 966 C ILE A 126 15.816 9.456 10.370 1.00 11.68 C ATOM 967 O ILE A 126 15.920 8.890 9.283 1.00 10.88 O ATOM 968 CB ILE A 126 15.150 11.906 10.430 1.00 12.37 C ATOM 969 CG1 ILE A 126 13.911 12.780 10.310 1.00 12.02 C ATOM 970 CG2 ILE A 126 16.051 12.023 9.217 1.00 13.08 C ATOM 971 CD1 ILE A 126 14.157 14.274 10.402 1.00 12.80 C ATOM 972 H ILE A 126 14.085 11.082 12.635 1.00 0.00 H ATOM 973 N GLN A 127 16.668 9.205 11.366 1.00 11.33 N ATOM 974 CA GLN A 127 17.740 8.276 11.158 1.00 13.20 C ATOM 975 C GLN A 127 17.189 6.869 10.896 1.00 11.58 C ATOM 976 O GLN A 127 17.794 6.100 10.155 1.00 11.13 O ATOM 977 CB GLN A 127 18.638 8.276 12.390 1.00 17.23 C ATOM 978 CG GLN A 127 19.853 7.357 12.251 1.00 23.68 C ATOM 979 CD GLN A 127 21.125 7.871 12.949 1.00 31.61 C ATOM 980 OE1 GLN A 127 22.245 7.478 12.590 1.00 45.15 O ATOM 981 NE2 GLN A 127 20.961 8.753 13.932 1.00 34.86 N ATOM 982 HE22 GLN A 127 20.004 9.057 14.203 1.00 0.00 H ATOM 983 HE21 GLN A 127 21.790 9.138 14.429 1.00 0.00 H ATOM 984 H GLN A 127 16.555 9.679 12.285 1.00 0.00 H ATOM 985 N ASP A 128 16.074 6.531 11.535 1.00 10.22 N ATOM 986 CA ASP A 128 15.457 5.223 11.257 1.00 10.13 C ATOM 987 C ASP A 128 14.996 5.146 9.804 1.00 9.92 C ATOM 988 O ASP A 128 15.208 4.129 9.124 1.00 8.78 O ATOM 989 CB ASP A 128 14.305 4.900 12.215 1.00 10.55 C ATOM 990 CG ASP A 128 14.764 4.484 13.603 1.00 11.49 C ATOM 991 OD1 ASP A 128 15.948 4.093 13.795 1.00 11.91 O ATOM 992 OD2 ASP A 128 13.889 4.526 14.505 1.00 12.13 O ATOM 993 H ASP A 128 15.643 7.182 12.222 1.00 0.00 H ATOM 994 N PHE A 129 14.400 6.222 9.287 1.00 9.91 N ATOM 995 CA PHE A 129 13.989 6.217 7.856 1.00 10.16 C ATOM 996 C PHE A 129 15.217 6.067 6.966 1.00 9.68 C ATOM 997 O PHE A 129 15.226 5.269 6.046 1.00 9.36 O ATOM 998 CB PHE A 129 13.239 7.529 7.491 1.00 10.25 C ATOM 999 CG PHE A 129 11.773 7.531 7.848 1.00 11.17 C ATOM 1000 CD1 PHE A 129 10.825 6.959 6.998 1.00 12.16 C ATOM 1001 CD2 PHE A 129 11.308 8.211 8.943 1.00 12.06 C ATOM 1002 CE1 PHE A 129 9.481 6.960 7.291 1.00 12.85 C ATOM 1003 CE2 PHE A 129 9.957 8.227 9.238 1.00 12.56 C ATOM 1004 CZ PHE A 129 9.034 7.644 8.396 1.00 13.14 C ATOM 1005 H PHE A 129 14.224 7.058 9.879 1.00 0.00 H ATOM 1006 N ASN A 130 16.283 6.815 7.294 1.00 10.38 N ATOM 1007 CA ASN A 130 17.525 6.778 6.507 1.00 10.98 C ATOM 1008 C ASN A 130 18.091 5.362 6.503 1.00 10.68 C ATOM 1009 O ASN A 130 18.568 4.900 5.479 1.00 10.83 O ATOM 1010 CB ASN A 130 18.628 7.728 7.040 1.00 12.83 C ATOM 1011 CG ASN A 130 18.268 9.185 6.928 1.00 15.55 C ATOM 1012 OD1 ASN A 130 17.404 9.554 6.128 1.00 17.79 O ATOM 1013 ND2 ASN A 130 18.928 10.015 7.731 1.00 17.01 N ATOM 1014 HD22 ASN A 130 19.646 9.644 8.385 1.00 0.00 H ATOM 1015 HD21 ASN A 130 18.726 11.035 7.705 1.00 0.00 H ATOM 1016 H ASN A 130 16.229 7.437 8.126 1.00 0.00 H ATOM 1017 N THR A 131 18.080 4.707 7.652 1.00 10.42 N ATOM 1018 CA THR A 131 18.529 3.317 7.772 1.00 10.38 C ATOM 1019 C THR A 131 17.725 2.376 6.870 1.00 9.31 C ATOM 1020 O THR A 131 18.318 1.564 6.150 1.00 9.33 O ATOM 1021 CB THR A 131 18.442 2.855 9.229 1.00 10.72 C ATOM 1022 OG1 THR A 131 19.237 3.700 10.057 1.00 11.19 O ATOM 1023 CG2 THR A 131 18.859 1.420 9.443 1.00 11.13 C ATOM 1024 HG1 THR A 131 18.907 4.631 9.990 1.00 0.00 H ATOM 1025 H THR A 131 17.739 5.197 8.504 1.00 0.00 H ATOM 1026 N MET A 132 16.407 2.510 6.909 1.00 8.95 N ATOM 1027 CA MET A 132 15.536 1.714 6.054 1.00 9.30 C ATOM 1028 C MET A 132 15.877 1.874 4.571 1.00 9.09 C ATOM 1029 O MET A 132 16.042 0.885 3.853 1.00 8.71 O ATOM 1030 CB MET A 132 14.062 2.089 6.283 1.00 9.56 C ATOM 1031 CG MET A 132 13.095 1.328 5.391 1.00 10.67 C ATOM 1032 SD MET A 132 11.414 1.869 5.686 1.00 11.42 S ATOM 1033 CE MET A 132 11.449 3.364 4.698 1.00 13.87 C ATOM 1034 H MET A 132 15.985 3.199 7.564 1.00 0.00 H ATOM 1035 N PHE A 133 15.966 3.113 4.089 1.00 9.33 N ATOM 1036 CA PHE A 133 16.322 3.345 2.677 1.00 9.42 C ATOM 1037 C PHE A 133 17.724 2.821 2.343 1.00 9.73 C ATOM 1038 O PHE A 133 17.909 2.115 1.360 1.00 10.20 O ATOM 1039 CB PHE A 133 16.233 4.845 2.371 1.00 10.84 C ATOM 1040 CG PHE A 133 14.818 5.387 2.391 1.00 11.59 C ATOM 1041 CD1 PHE A 133 13.826 4.817 1.595 1.00 13.85 C ATOM 1042 CD2 PHE A 133 14.446 6.442 3.225 1.00 13.23 C ATOM 1043 CE1 PHE A 133 12.516 5.281 1.637 1.00 14.64 C ATOM 1044 CE2 PHE A 133 13.145 6.936 3.226 1.00 13.44 C ATOM 1045 CZ PHE A 133 12.176 6.353 2.419 1.00 14.80 C ATOM 1046 H PHE A 133 15.783 3.924 4.714 1.00 0.00 H ATOM 1047 N THR A 134 18.704 3.155 3.179 1.00 9.98 N ATOM 1048 CA THR A 134 20.089 2.691 2.973 1.00 11.49 C ATOM 1049 C THR A 134 20.170 1.160 2.916 1.00 10.36 C ATOM 1050 O THR A 134 20.852 0.603 2.056 1.00 10.77 O ATOM 1051 CB THR A 134 21.021 3.265 4.029 1.00 13.58 C ATOM 1052 OG1 THR A 134 21.081 4.695 3.818 1.00 17.63 O ATOM 1053 CG2 THR A 134 22.444 2.613 3.975 1.00 14.62 C ATOM 1054 HG1 THR A 134 21.682 5.102 4.491 1.00 0.00 H ATOM 1055 H THR A 134 18.488 3.758 3.998 1.00 0.00 H ATOM 1056 N ASN A 135 19.452 0.459 3.793 1.00 9.71 N ATOM 1057 CA ASN A 135 19.460 -1.008 3.732 1.00 9.27 C ATOM 1058 C ASN A 135 19.030 -1.496 2.337 1.00 9.20 C ATOM 1059 O ASN A 135 19.587 -2.451 1.779 1.00 8.73 O ATOM 1060 CB ASN A 135 18.551 -1.645 4.800 1.00 8.93 C ATOM 1061 CG ASN A 135 19.064 -1.445 6.225 1.00 8.87 C ATOM 1062 OD1 ASN A 135 20.260 -1.150 6.466 1.00 10.52 O ATOM 1063 ND2 ASN A 135 18.145 -1.592 7.174 1.00 9.36 N ATOM 1064 HD22 ASN A 135 17.167 -1.837 6.918 1.00 0.00 H ATOM 1065 HD21 ASN A 135 18.404 -1.462 8.173 1.00 0.00 H ATOM 1066 H ASN A 135 18.889 0.949 4.517 1.00 0.00 H ATOM 1067 N CYS A 136 17.997 -0.846 1.798 1.00 9.72 N ATOM 1068 CA CYS A 136 17.452 -1.266 0.520 1.00 10.08 C ATOM 1069 C CYS A 136 18.502 -1.070 -0.597 1.00 10.24 C ATOM 1070 O CYS A 136 18.758 -1.942 -1.431 1.00 10.00 O ATOM 1071 CB CYS A 136 16.180 -0.477 0.250 1.00 10.72 C ATOM 1072 SG CYS A 136 15.368 -0.993 -1.242 1.00 13.80 S ATOM 1073 H CYS A 136 17.580 -0.034 2.296 1.00 0.00 H ATOM 1074 N TYR A 137 19.176 0.063 -0.522 1.00 10.99 N ATOM 1075 CA TYR A 137 20.214 0.360 -1.536 1.00 11.37 C ATOM 1076 C TYR A 137 21.428 -0.515 -1.390 1.00 12.19 C ATOM 1077 O TYR A 137 22.015 -0.900 -2.419 1.00 13.38 O ATOM 1078 CB TYR A 137 20.567 1.833 -1.538 1.00 12.52 C ATOM 1079 CG TYR A 137 19.402 2.743 -1.675 1.00 12.60 C ATOM 1080 CD1 TYR A 137 18.341 2.444 -2.541 1.00 13.76 C ATOM 1081 CD2 TYR A 137 19.313 3.924 -0.942 1.00 13.23 C ATOM 1082 CE1 TYR A 137 17.240 3.291 -2.632 1.00 13.33 C ATOM 1083 CE2 TYR A 137 18.240 4.791 -1.053 1.00 13.92 C ATOM 1084 CZ TYR A 137 17.191 4.460 -1.905 1.00 14.91 C ATOM 1085 OH TYR A 137 16.132 5.316 -2.038 1.00 16.89 O ATOM 1086 HH TYR A 137 16.455 6.188 -2.377 1.00 0.00 H ATOM 1087 H TYR A 137 18.980 0.741 0.242 1.00 0.00 H ATOM 1088 N ILE A 138 21.785 -0.903 -0.168 1.00 12.24 N ATOM 1089 CA ILE A 138 22.865 -1.883 0.037 1.00 12.49 C ATOM 1090 C ILE A 138 22.517 -3.270 -0.508 1.00 12.28 C ATOM 1091 O ILE A 138 23.327 -3.904 -1.171 1.00 12.29 O ATOM 1092 CB ILE A 138 23.242 -1.981 1.536 1.00 13.87 C ATOM 1093 CG1 ILE A 138 23.867 -0.685 1.993 1.00 14.81 C ATOM 1094 CG2 ILE A 138 24.171 -3.155 1.827 1.00 13.78 C ATOM 1095 CD1 ILE A 138 24.086 -0.594 3.471 1.00 15.92 C ATOM 1096 H ILE A 138 21.292 -0.507 0.658 1.00 0.00 H ATOM 1097 N TYR A 139 21.332 -3.790 -0.155 1.00 10.30 N ATOM 1098 CA TYR A 139 20.995 -5.154 -0.414 1.00 9.98 C ATOM 1099 C TYR A 139 20.702 -5.439 -1.877 1.00 10.48 C ATOM 1100 O TYR A 139 21.013 -6.529 -2.381 1.00 12.04 O ATOM 1101 CB TYR A 139 19.837 -5.598 0.510 1.00 9.58 C ATOM 1102 CG TYR A 139 19.452 -7.010 0.320 1.00 9.43 C ATOM 1103 CD1 TYR A 139 20.273 -8.059 0.773 1.00 9.02 C ATOM 1104 CD2 TYR A 139 18.358 -7.352 -0.453 1.00 9.44 C ATOM 1105 CE1 TYR A 139 19.951 -9.352 0.525 1.00 9.52 C ATOM 1106 CE2 TYR A 139 17.991 -8.672 -0.682 1.00 9.43 C ATOM 1107 CZ TYR A 139 18.833 -9.694 -0.225 1.00 9.55 C ATOM 1108 OH TYR A 139 18.514 -11.000 -0.537 1.00 11.25 O ATOM 1109 HH TYR A 139 19.194 -11.606 -0.150 1.00 0.00 H ATOM 1110 H TYR A 139 20.637 -3.181 0.322 1.00 0.00 H ATOM 1111 N ASN A 140 20.065 -4.494 -2.550 1.00 11.09 N ATOM 1112 CA ASN A 140 19.564 -4.719 -3.909 1.00 12.04 C ATOM 1113 C ASN A 140 20.464 -3.986 -4.914 1.00 15.54 C ATOM 1114 O ASN A 140 21.458 -3.400 -4.535 1.00 17.01 O ATOM 1115 CB ASN A 140 18.094 -4.268 -4.018 1.00 12.40 C ATOM 1116 CG ASN A 140 17.234 -4.871 -2.926 1.00 10.93 C ATOM 1117 OD1 ASN A 140 16.752 -6.018 -3.042 1.00 10.87 O ATOM 1118 ND2 ASN A 140 17.013 -4.105 -1.860 1.00 10.32 N ATOM 1119 HD22 ASN A 140 17.435 -3.156 -1.805 1.00 0.00 H ATOM 1120 HD21 ASN A 140 16.419 -4.456 -1.082 1.00 0.00 H ATOM 1121 H ASN A 140 19.916 -3.567 -2.103 1.00 0.00 H ATOM 1122 N LYS A 141 20.111 -4.063 -6.188 1.00 18.01 N ATOM 1123 CA LYS A 141 20.916 -3.500 -7.298 1.00 22.25 C ATOM 1124 C LYS A 141 20.185 -2.280 -7.887 1.00 23.24 C ATOM 1125 O LYS A 141 18.956 -2.301 -7.951 1.00 20.02 O ATOM 1126 CB LYS A 141 21.045 -4.540 -8.411 1.00 25.61 C ATOM 1127 CG LYS A 141 21.625 -5.869 -7.998 1.00 29.19 C ATOM 1128 CD LYS A 141 23.114 -5.744 -7.700 1.00 32.32 C ATOM 1129 CE LYS A 141 23.771 -7.111 -7.542 1.00 33.89 C ATOM 1130 NZ LYS A 141 25.259 -7.012 -7.644 1.00 34.99 N ATOM 1131 HZ1 LYS A 141 25.517 -6.626 -8.575 1.00 0.00 H ATOM 1132 HZ2 LYS A 141 25.616 -6.384 -6.896 1.00 0.00 H ATOM 1133 HZ3 LYS A 141 25.677 -7.958 -7.532 1.00 0.00 H ATOM 1134 H LYS A 141 19.220 -4.545 -6.423 1.00 0.00 H ATOM 1135 N PRO A 142 20.928 -1.252 -8.392 1.00 22.41 N ATOM 1136 CA PRO A 142 20.230 -0.150 -9.062 1.00 24.00 C ATOM 1137 C PRO A 142 19.298 -0.693 -10.153 1.00 23.12 C ATOM 1138 O PRO A 142 19.630 -1.679 -10.790 1.00 24.60 O ATOM 1139 CB PRO A 142 21.370 0.674 -9.688 1.00 25.31 C ATOM 1140 CG PRO A 142 22.599 0.300 -8.921 1.00 24.46 C ATOM 1141 CD PRO A 142 22.398 -1.096 -8.446 1.00 24.32 C ATOM 1142 N GLY A 143 18.124 -0.103 -10.312 1.00 23.66 N ATOM 1143 CA GLY A 143 17.134 -0.606 -11.271 1.00 22.41 C ATOM 1144 C GLY A 143 16.215 -1.757 -10.861 1.00 22.01 C ATOM 1145 O GLY A 143 15.197 -1.986 -11.520 1.00 20.16 O ATOM 1146 H GLY A 143 17.898 0.738 -9.743 1.00 0.00 H ATOM 1147 N ASP A 144 16.546 -2.511 -9.805 1.00 18.77 N ATOM 1148 CA ASP A 144 15.583 -3.492 -9.270 1.00 16.15 C ATOM 1149 C ASP A 144 14.255 -2.803 -8.915 1.00 14.88 C ATOM 1150 O ASP A 144 14.236 -1.683 -8.447 1.00 14.25 O ATOM 1151 CB ASP A 144 16.081 -4.111 -7.962 1.00 17.42 C ATOM 1152 CG ASP A 144 17.181 -5.107 -8.168 1.00 19.65 C ATOM 1153 OD1 ASP A 144 17.378 -5.518 -9.336 1.00 22.54 O ATOM 1154 OD2 ASP A 144 17.858 -5.515 -7.169 1.00 20.44 O ATOM 1155 H ASP A 144 17.481 -2.405 -9.362 1.00 0.00 H ATOM 1156 N ASP A 145 13.147 -3.520 -9.040 1.00 14.08 N ATOM 1157 CA ASP A 145 11.834 -2.948 -8.699 1.00 14.16 C ATOM 1158 C ASP A 145 11.788 -2.395 -7.280 1.00 12.32 C ATOM 1159 O ASP A 145 11.220 -1.318 -7.021 1.00 11.40 O ATOM 1160 CB ASP A 145 10.751 -4.005 -8.799 1.00 15.75 C ATOM 1161 CG ASP A 145 10.115 -4.067 -10.168 1.00 17.63 C ATOM 1162 OD1 ASP A 145 10.214 -3.102 -10.958 1.00 20.13 O ATOM 1163 OD2 ASP A 145 9.492 -5.134 -10.448 1.00 20.81 O ATOM 1164 H ASP A 145 13.206 -4.500 -9.384 1.00 0.00 H ATOM 1165 N ILE A 146 12.354 -3.150 -6.353 1.00 12.19 N ATOM 1166 CA ILE A 146 12.360 -2.709 -4.973 1.00 12.18 C ATOM 1167 C ILE A 146 13.135 -1.405 -4.778 1.00 11.51 C ATOM 1168 O ILE A 146 12.738 -0.566 -3.960 1.00 10.73 O ATOM 1169 CB ILE A 146 12.905 -3.816 -4.034 1.00 13.20 C ATOM 1170 CG1 ILE A 146 12.648 -3.482 -2.571 1.00 15.44 C ATOM 1171 CG2 ILE A 146 14.366 -4.047 -4.284 1.00 14.43 C ATOM 1172 CD1 ILE A 146 11.196 -3.810 -2.194 1.00 17.47 C ATOM 1173 H ILE A 146 12.793 -4.056 -6.614 1.00 0.00 H ATOM 1174 N VAL A 147 14.204 -1.229 -5.543 1.00 11.68 N ATOM 1175 CA VAL A 147 14.984 -0.015 -5.512 1.00 12.26 C ATOM 1176 C VAL A 147 14.196 1.160 -6.130 1.00 12.00 C ATOM 1177 O VAL A 147 14.214 2.259 -5.570 1.00 12.91 O ATOM 1178 CB VAL A 147 16.374 -0.195 -6.183 1.00 12.97 C ATOM 1179 CG1 VAL A 147 17.094 1.145 -6.265 1.00 14.07 C ATOM 1180 CG2 VAL A 147 17.198 -1.122 -5.330 1.00 13.02 C ATOM 1181 H VAL A 147 14.490 -1.993 -6.188 1.00 0.00 H ATOM 1182 N LEU A 148 13.469 0.913 -7.228 1.00 12.51 N ATOM 1183 CA LEU A 148 12.607 1.959 -7.772 1.00 13.75 C ATOM 1184 C LEU A 148 11.551 2.411 -6.768 1.00 12.78 C ATOM 1185 O LEU A 148 11.222 3.600 -6.645 1.00 12.46 O ATOM 1186 CB LEU A 148 11.892 1.432 -9.024 1.00 16.18 C ATOM 1187 CG LEU A 148 12.744 1.123 -10.250 1.00 18.71 C ATOM 1188 CD1 LEU A 148 11.806 0.607 -11.328 1.00 19.74 C ATOM 1189 CD2 LEU A 148 13.564 2.306 -10.745 1.00 20.06 C ATOM 1190 H LEU A 148 13.518 -0.017 -7.690 1.00 0.00 H ATOM 1191 N MET A 149 11.026 1.473 -6.006 1.00 10.93 N ATOM 1192 CA MET A 149 10.071 1.750 -4.975 1.00 11.30 C ATOM 1193 C MET A 149 10.668 2.615 -3.872 1.00 12.14 C ATOM 1194 O MET A 149 10.086 3.598 -3.444 1.00 13.14 O ATOM 1195 CB MET A 149 9.530 0.437 -4.410 1.00 11.59 C ATOM 1196 CG MET A 149 8.645 -0.282 -5.415 1.00 11.52 C ATOM 1197 SD MET A 149 8.331 -1.999 -4.947 1.00 13.41 S ATOM 1198 CE MET A 149 6.850 -1.762 -4.094 1.00 12.24 C ATOM 1199 H MET A 149 11.318 0.487 -6.160 1.00 0.00 H ATOM 1200 N ALA A 150 11.817 2.185 -3.375 1.00 11.68 N ATOM 1201 CA ALA A 150 12.497 2.902 -2.318 1.00 12.24 C ATOM 1202 C ALA A 150 12.824 4.327 -2.772 1.00 13.28 C ATOM 1203 O ALA A 150 12.654 5.260 -1.975 1.00 14.31 O ATOM 1204 CB ALA A 150 13.780 2.147 -1.930 1.00 12.12 C ATOM 1205 H ALA A 150 12.240 1.313 -3.752 1.00 0.00 H ATOM 1206 N GLU A 151 13.294 4.474 -4.010 1.00 14.71 N ATOM 1207 CA GLU A 151 13.676 5.795 -4.583 1.00 16.52 C ATOM 1208 C GLU A 151 12.481 6.727 -4.606 1.00 16.02 C ATOM 1209 O GLU A 151 12.566 7.892 -4.197 1.00 16.55 O ATOM 1210 CB GLU A 151 14.302 5.695 -5.973 1.00 18.20 C ATOM 1211 CG GLU A 151 15.704 5.120 -6.002 1.00 22.84 C ATOM 1212 CD GLU A 151 16.244 4.892 -7.394 1.00 27.35 C ATOM 1213 OE1 GLU A 151 15.492 4.988 -8.382 1.00 34.91 O ATOM 1214 OE2 GLU A 151 17.441 4.568 -7.512 1.00 34.28 O ATOM 1215 H GLU A 151 13.399 3.627 -4.604 1.00 0.00 H ATOM 1216 N ALA A 152 11.324 6.216 -5.013 1.00 15.06 N ATOM 1217 CA ALA A 152 10.142 7.053 -5.025 1.00 13.94 C ATOM 1218 C ALA A 152 9.693 7.424 -3.645 1.00 13.33 C ATOM 1219 O ALA A 152 9.264 8.546 -3.415 1.00 14.05 O ATOM 1220 CB ALA A 152 9.021 6.369 -5.781 1.00 13.61 C ATOM 1221 H ALA A 152 11.268 5.224 -5.320 1.00 0.00 H ATOM 1222 N LEU A 153 9.791 6.496 -2.688 1.00 12.41 N ATOM 1223 CA LEU A 153 9.388 6.785 -1.320 1.00 12.46 C ATOM 1224 C LEU A 153 10.371 7.777 -0.680 1.00 13.00 C ATOM 1225 O LEU A 153 9.917 8.625 0.076 1.00 14.15 O ATOM 1226 CB LEU A 153 9.305 5.517 -0.477 1.00 12.92 C ATOM 1227 CG LEU A 153 8.169 4.550 -0.814 1.00 13.21 C ATOM 1228 CD1 LEU A 153 8.457 3.236 -0.082 1.00 13.54 C ATOM 1229 CD2 LEU A 153 6.798 5.102 -0.445 1.00 13.42 C ATOM 1230 H LEU A 153 10.161 5.553 -2.925 1.00 0.00 H ATOM 1231 N GLU A 154 11.660 7.643 -1.020 1.00 14.79 N ATOM 1232 CA GLU A 154 12.700 8.567 -0.502 1.00 15.41 C ATOM 1233 C GLU A 154 12.402 9.985 -1.008 1.00 17.16 C ATOM 1234 O GLU A 154 12.485 10.942 -0.241 1.00 17.38 O ATOM 1235 CB GLU A 154 14.089 8.153 -0.949 1.00 18.21 C ATOM 1236 CG GLU A 154 15.201 8.861 -0.166 1.00 22.19 C ATOM 1237 CD GLU A 154 16.596 8.478 -0.622 1.00 26.28 C ATOM 1238 OE1 GLU A 154 16.764 7.545 -1.409 1.00 28.39 O ATOM 1239 OE2 GLU A 154 17.574 9.154 -0.227 1.00 35.86 O ATOM 1240 H GLU A 154 11.939 6.874 -1.662 1.00 0.00 H ATOM 1241 N LYS A 155 12.064 10.093 -2.298 1.00 16.68 N ATOM 1242 CA LYS A 155 11.716 11.382 -2.894 1.00 18.53 C ATOM 1243 C LYS A 155 10.569 12.033 -2.128 1.00 18.50 C ATOM 1244 O LYS A 155 10.640 13.226 -1.770 1.00 18.05 O ATOM 1245 CB LYS A 155 11.350 11.210 -4.380 1.00 20.88 C ATOM 1246 CG LYS A 155 11.246 12.524 -5.147 1.00 23.06 C ATOM 1247 CD LYS A 155 10.799 12.291 -6.582 1.00 26.90 C ATOM 1248 CE LYS A 155 9.630 13.170 -6.988 1.00 28.34 C ATOM 1249 NZ LYS A 155 9.087 12.760 -8.315 1.00 30.63 N ATOM 1250 HZ1 LYS A 155 9.833 12.844 -9.035 1.00 0.00 H ATOM 1251 HZ2 LYS A 155 8.761 11.774 -8.265 1.00 0.00 H ATOM 1252 HZ3 LYS A 155 8.289 13.378 -8.568 1.00 0.00 H ATOM 1253 H LYS A 155 12.048 9.239 -2.891 1.00 0.00 H ATOM 1254 N LEU A 156 9.506 11.279 -1.847 1.00 17.00 N ATOM 1255 CA LEU A 156 8.385 11.804 -1.103 1.00 17.04 C ATOM 1256 C LEU A 156 8.809 12.179 0.324 1.00 18.38 C ATOM 1257 O LEU A 156 8.398 13.197 0.845 1.00 17.13 O ATOM 1258 CB LEU A 156 7.234 10.813 -1.065 1.00 19.84 C ATOM 1259 CG LEU A 156 6.469 10.664 -2.362 1.00 22.83 C ATOM 1260 CD1 LEU A 156 5.250 9.800 -2.069 1.00 24.34 C ATOM 1261 CD2 LEU A 156 6.076 12.011 -2.944 1.00 25.51 C ATOM 1262 H LEU A 156 9.484 10.291 -2.171 1.00 0.00 H ATOM 1263 N PHE A 157 9.611 11.300 0.931 1.00 15.88 N ATOM 1264 CA PHE A 157 10.137 11.535 2.263 1.00 16.14 C ATOM 1265 C PHE A 157 10.843 12.896 2.312 1.00 16.07 C ATOM 1266 O PHE A 157 10.479 13.721 3.195 1.00 18.59 O ATOM 1267 CB PHE A 157 11.130 10.403 2.621 1.00 15.25 C ATOM 1268 CG PHE A 157 11.804 10.583 3.950 1.00 15.27 C ATOM 1269 CD1 PHE A 157 11.075 10.491 5.107 1.00 15.11 C ATOM 1270 CD2 PHE A 157 13.160 10.824 3.990 1.00 15.60 C ATOM 1271 CE1 PHE A 157 11.698 10.671 6.360 1.00 16.39 C ATOM 1272 CE2 PHE A 157 13.803 10.970 5.216 1.00 16.28 C ATOM 1273 CZ PHE A 157 13.052 10.898 6.384 1.00 15.49 C ATOM 1274 H PHE A 157 9.866 10.422 0.435 1.00 0.00 H ATOM 1275 N LEU A 158 11.773 13.120 1.392 1.00 17.71 N ATOM 1276 CA LEU A 158 12.611 14.341 1.411 1.00 17.80 C ATOM 1277 C LEU A 158 11.719 15.560 1.147 1.00 20.59 C ATOM 1278 O LEU A 158 11.923 16.598 1.757 1.00 20.24 O ATOM 1279 CB LEU A 158 13.824 14.274 0.492 1.00 19.62 C ATOM 1280 CG LEU A 158 14.889 13.192 0.764 1.00 19.84 C ATOM 1281 CD1 LEU A 158 15.904 13.119 -0.359 1.00 21.81 C ATOM 1282 CD2 LEU A 158 15.549 13.423 2.123 1.00 22.04 C ATOM 1283 H LEU A 158 11.917 12.419 0.637 1.00 0.00 H ATOM 1284 N GLN A 159 10.706 15.434 0.281 1.00 20.27 N ATOM 1285 CA GLN A 159 9.743 16.536 0.080 1.00 21.77 C ATOM 1286 C GLN A 159 9.031 16.941 1.350 1.00 21.08 C ATOM 1287 O GLN A 159 8.945 18.137 1.686 1.00 21.20 O ATOM 1288 CB GLN A 159 8.642 16.186 -0.910 1.00 24.17 C ATOM 1289 CG GLN A 159 9.076 16.216 -2.334 1.00 30.03 C ATOM 1290 CD GLN A 159 7.934 15.886 -3.269 1.00 32.31 C ATOM 1291 OE1 GLN A 159 6.742 16.037 -2.917 1.00 37.15 O ATOM 1292 NE2 GLN A 159 8.277 15.444 -4.469 1.00 34.82 N ATOM 1293 HE22 GLN A 159 9.281 15.335 -4.715 1.00 0.00 H ATOM 1294 HE21 GLN A 159 7.542 15.206 -5.165 1.00 0.00 H ATOM 1295 H GLN A 159 10.596 14.550 -0.256 1.00 0.00 H ATOM 1296 N LYS A 160 8.525 15.958 2.076 1.00 20.55 N ATOM 1297 CA LYS A 160 7.859 16.222 3.323 1.00 20.41 C ATOM 1298 C LYS A 160 8.856 16.722 4.411 1.00 19.76 C ATOM 1299 O LYS A 160 8.518 17.624 5.182 1.00 20.60 O ATOM 1300 CB LYS A 160 7.085 14.992 3.808 1.00 22.72 C ATOM 1301 CG LYS A 160 5.948 14.489 2.910 1.00 22.47 C ATOM 1302 CD LYS A 160 5.019 15.613 2.477 1.00 25.46 C ATOM 1303 CE LYS A 160 3.589 15.153 2.312 1.00 29.09 C ATOM 1304 NZ LYS A 160 2.775 16.295 1.806 1.00 29.06 N ATOM 1305 HZ1 LYS A 160 2.818 17.079 2.488 1.00 0.00 H ATOM 1306 HZ2 LYS A 160 3.153 16.610 0.890 1.00 0.00 H ATOM 1307 HZ3 LYS A 160 1.788 15.990 1.688 1.00 0.00 H ATOM 1308 H LYS A 160 8.610 14.978 1.739 1.00 0.00 H ATOM 1309 N ILE A 161 10.082 16.194 4.433 1.00 19.62 N ATOM 1310 CA ILE A 161 11.104 16.675 5.388 1.00 20.02 C ATOM 1311 C ILE A 161 11.453 18.148 5.174 1.00 19.86 C ATOM 1312 O ILE A 161 11.720 18.880 6.150 1.00 19.90 O ATOM 1313 CB ILE A 161 12.408 15.826 5.315 1.00 21.75 C ATOM 1314 CG1 ILE A 161 12.143 14.432 5.860 1.00 23.72 C ATOM 1315 CG2 ILE A 161 13.586 16.506 6.027 1.00 23.00 C ATOM 1316 CD1 ILE A 161 12.215 14.306 7.344 1.00 24.60 C ATOM 1317 H ILE A 161 10.322 15.432 3.768 1.00 0.00 H ATOM 1318 N ASN A 162 11.487 18.606 3.922 1.00 20.24 N ATOM 1319 CA ASN A 162 11.749 20.019 3.657 1.00 22.20 C ATOM 1320 C ASN A 162 10.632 20.923 4.150 1.00 22.89 C ATOM 1321 O ASN A 162 10.800 22.126 4.105 1.00 23.55 O ATOM 1322 CB ASN A 162 12.089 20.333 2.161 1.00 22.79 C ATOM 1323 CG ASN A 162 13.544 19.959 1.765 1.00 25.42 C ATOM 1324 OD1 ASN A 162 13.826 19.543 0.621 1.00 30.13 O ATOM 1325 ND2 ASN A 162 14.466 20.138 2.676 1.00 23.79 N ATOM 1326 HD22 ASN A 162 14.203 20.485 3.620 1.00 0.00 H ATOM 1327 HD21 ASN A 162 15.461 19.933 2.456 1.00 0.00 H ATOM 1328 H ASN A 162 11.326 17.953 3.129 1.00 0.00 H ATOM 1329 N GLU A 163 9.521 20.385 4.651 1.00 22.06 N ATOM 1330 CA GLU A 163 8.432 21.185 5.183 1.00 23.46 C ATOM 1331 C GLU A 163 8.303 20.941 6.681 1.00 23.01 C ATOM 1332 O GLU A 163 7.285 21.239 7.282 1.00 22.33 O ATOM 1333 CB GLU A 163 7.141 20.860 4.401 1.00 27.01 C ATOM 1334 CG GLU A 163 6.768 21.902 3.346 1.00 33.21 C ATOM 1335 CD GLU A 163 7.445 21.699 2.005 1.00 39.78 C ATOM 1336 OE1 GLU A 163 8.141 22.629 1.548 1.00 46.84 O ATOM 1337 OE2 GLU A 163 7.267 20.627 1.376 1.00 50.17 O ATOM 1338 H GLU A 163 9.430 19.349 4.662 1.00 0.00 H ATOM 1339 N LEU A 164 9.344 20.377 7.290 1.00 20.00 N ATOM 1340 CA LEU A 164 9.339 20.126 8.721 1.00 21.48 C ATOM 1341 C LEU A 164 9.174 21.466 9.456 1.00 21.43 C ATOM 1342 O LEU A 164 9.823 22.457 9.102 1.00 23.36 O ATOM 1343 CB LEU A 164 10.652 19.419 9.153 1.00 21.53 C ATOM 1344 CG LEU A 164 10.730 18.712 10.518 1.00 23.80 C ATOM 1345 CD1 LEU A 164 9.872 17.473 10.595 1.00 22.88 C ATOM 1346 CD2 LEU A 164 12.159 18.383 10.893 1.00 24.81 C ATOM 1347 H LEU A 164 10.178 20.110 6.729 1.00 0.00 H ATOM 1348 N PRO A 165 8.306 21.506 10.470 1.00 23.00 N ATOM 1349 CA PRO A 165 8.258 22.738 11.276 1.00 24.00 C ATOM 1350 C PRO A 165 9.653 23.106 11.888 1.00 27.91 C ATOM 1351 O PRO A 165 10.383 22.230 12.384 1.00 28.22 O ATOM 1352 CB PRO A 165 7.220 22.417 12.348 1.00 25.06 C ATOM 1353 CG PRO A 165 6.457 21.231 11.868 1.00 24.93 C ATOM 1354 CD PRO A 165 7.307 20.507 10.884 1.00 22.93 C ATOM 1355 N THR A 166 10.039 24.380 11.811 1.00 32.03 N ATOM 1356 CA THR A 166 11.404 24.794 12.195 1.00 36.66 C ATOM 1357 C THR A 166 11.473 25.145 13.676 1.00 41.54 C ATOM 1358 O THR A 166 12.494 24.907 14.316 1.00 46.35 O ATOM 1359 CB THR A 166 11.932 25.985 11.336 1.00 38.14 C ATOM 1360 OG1 THR A 166 11.162 27.158 11.598 1.00 40.03 O ATOM 1361 CG2 THR A 166 11.877 25.656 9.824 1.00 36.59 C ATOM 1362 HG1 THR A 166 11.505 27.906 11.048 1.00 0.00 H ATOM 1363 H THR A 166 9.365 25.097 11.474 1.00 0.00 H TER 1364 THR A 166 HETATM 1365 O HOH 1 11.976 15.099 -2.799 1.00 35.55 O HETATM 1366 O HOH 2 23.602 -2.565 -3.453 1.00 19.47 O HETATM 1367 O HOH 3 17.792 -20.019 13.214 1.00 23.71 O HETATM 1368 O HOH 4 22.809 5.920 5.279 1.00 28.93 O HETATM 1369 O HOH 5 16.580 2.362 19.301 1.00 31.63 O HETATM 1370 O HOH 6 9.094 -2.786 -13.278 1.00 19.17 O HETATM 1371 O HOH 7 17.941 -2.401 13.821 1.00 25.27 O HETATM 1372 O HOH 8 0.068 1.000 1.587 1.00 32.41 O HETATM 1373 O HOH 9 15.903 -7.212 13.684 1.00 16.47 O HETATM 1374 O HOH 10 2.588 -5.042 4.124 1.00 24.10 O HETATM 1375 O HOH 11 20.140 -17.766 6.233 1.00 22.41 O HETATM 1376 O HOH 12 16.457 -16.045 15.108 1.00 23.81 O HETATM 1377 O HOH 13 16.201 -3.599 2.581 1.00 9.79 O HETATM 1378 O HOH 14 13.034 -2.514 5.515 1.00 11.61 O HETATM 1379 O HOH 15 17.436 2.391 -9.505 1.00 34.02 O HETATM 1380 O HOH 16 17.002 8.880 23.337 1.00 15.58 O HETATM 1381 O HOH 17 9.682 -6.959 2.691 1.00 19.29 O HETATM 1382 O HOH 18 16.872 -15.127 7.917 1.00 23.77 O HETATM 1383 O HOH 19 9.737 -3.938 15.385 1.00 14.19 O HETATM 1384 O HOH 20 7.625 -9.432 9.342 1.00 26.32 O HETATM 1385 O HOH 21 19.699 6.470 2.267 1.00 34.60 O HETATM 1386 O HOH 22 11.381 5.332 -8.760 1.00 26.55 O HETATM 1387 O HOH 23 16.613 18.763 3.692 1.00 18.66 O HETATM 1388 O HOH 24 -1.209 -0.651 -6.988 1.00 19.69 O HETATM 1389 O HOH 25 15.619 -3.504 6.844 1.00 12.89 O HETATM 1390 O HOH 26 10.761 -3.973 5.373 1.00 12.13 O HETATM 1391 O HOH 27 7.703 20.989 20.109 1.00 34.04 O HETATM 1392 O HOH 28 14.697 -1.513 3.501 1.00 13.06 O HETATM 1393 O HOH 29 23.404 -14.664 -1.798 1.00 19.35 O HETATM 1394 O HOH 30 1.081 8.733 -0.698 1.00 33.35 O HETATM 1395 O HOH 31 11.622 -12.851 -2.973 1.00 16.32 O HETATM 1396 O HOH 32 19.963 8.872 19.875 1.00 37.56 O HETATM 1397 O HOH 33 1.542 -0.371 -0.360 1.00 15.20 O HETATM 1398 O HOH 34 9.713 -3.588 21.929 1.00 25.23 O HETATM 1399 O HOH 35 12.551 -9.331 12.577 1.00 17.90 O HETATM 1400 O HOH 36 13.279 -4.199 10.830 1.00 11.30 O HETATM 1401 O HOH 37 11.704 -16.817 12.271 1.00 33.19 O HETATM 1402 O HOH 38 13.481 18.255 19.369 1.00 28.70 O HETATM 1403 O HOH 39 11.355 -10.746 10.476 1.00 19.93 O HETATM 1404 O HOH 40 15.314 -17.639 3.808 1.00 24.32 O HETATM 1405 O HOH 41 1.974 9.756 19.738 1.00 42.89 O HETATM 1406 O HOH 42 16.056 -2.634 18.852 1.00 25.86 O HETATM 1407 O HOH 43 7.899 -7.759 0.729 1.00 13.20 O HETATM 1408 O HOH 44 8.834 -8.638 4.942 1.00 15.27 O HETATM 1409 O HOH 45 7.862 10.203 -5.351 1.00 39.21 O HETATM 1410 O HOH 46 19.026 -13.862 6.698 1.00 17.68 O HETATM 1411 O HOH 47 12.294 17.195 17.503 1.00 20.96 O HETATM 1412 O HOH 48 19.564 -8.696 -3.825 1.00 28.15 O HETATM 1413 O HOH 49 13.984 -7.166 11.567 1.00 12.70 O HETATM 1414 O HOH 50 8.538 10.117 20.106 1.00 20.16 O HETATM 1415 O HOH 51 13.590 -5.061 8.332 1.00 16.49 O HETATM 1416 O HOH 52 16.256 16.503 16.131 1.00 20.18 O HETATM 1417 O HOH 53 14.969 8.093 30.443 1.00 22.30 O HETATM 1418 O HOH 54 7.269 15.429 26.205 1.00 32.91 O HETATM 1419 O HOH 55 5.982 10.640 18.458 1.00 36.68 O HETATM 1420 O HOH 56 11.842 -14.097 15.252 1.00 37.14 O HETATM 1421 O HOH 57 3.554 -7.049 2.213 1.00 26.59 O HETATM 1422 O HOH 58 6.726 -9.969 4.311 1.00 26.47 O HETATM 1423 O HOH 59 16.586 5.602 18.531 1.00 31.66 O HETATM 1424 O HOH 60 13.857 -12.827 -4.496 1.00 28.61 O HETATM 1425 CAZ EFL A 61 10.769 -11.639 -6.390 1.00 0.06 C HETATM 1426 OAY EFL A 61 10.304 -10.878 -5.243 1.00 -0.32 O HETATM 1427 CAW EFL A 61 9.994 -9.568 -5.423 1.00 0.12 C HETATM 1428 CAV EFL A 61 10.194 -8.845 -6.633 1.00 -0.03 C HETATM 1429 CAU EFL A 61 9.795 -7.515 -6.654 1.00 -0.06 C HETATM 1430 CAT EFL A 61 9.254 -6.921 -5.529 1.00 0.00 C HETATM 1431 BR EFL A 61 8.791 -5.123 -5.619 1.00 -0.06 BR HETATM 1432 CAS EFL A 61 9.048 -7.598 -4.371 1.00 -0.03 C HETATM 1433 CAR EFL A 61 9.379 -8.942 -4.318 1.00 0.14 C HETATM 1434 SAO EFL A 61 9.107 -9.835 -2.834 1.00 0.09 S HETATM 1435 OAP EFL A 61 8.474 -8.897 -1.876 1.00 -0.15 O HETATM 1436 OAQ EFL A 61 8.421 -11.156 -3.066 1.00 -0.15 O HETATM 1437 NAN EFL A 61 10.665 -10.227 -2.325 1.00 -0.20 N HETATM 1438 CAB EFL A 61 11.590 -9.288 -2.065 1.00 0.04 C HETATM 1439 CAC EFL A 61 11.346 -8.228 -1.206 1.00 -0.03 C HETATM 1440 CAD EFL A 61 12.344 -7.292 -0.931 1.00 0.10 C HETATM 1441 OAG EFL A 61 12.134 -6.207 -0.114 1.00 -0.32 O HETATM 1442 CAH EFL A 61 13.110 -5.891 0.866 1.00 0.16 C HETATM 1443 CAL EFL A 61 12.863 -4.620 1.475 1.00 -0.03 C HETATM 1444 H9 EFL A 61 13.641 -4.416 2.226 1.00 0.02 H HETATM 1445 H10 EFL A 61 11.877 -4.632 1.963 1.00 0.02 H HETATM 1446 H11 EFL A 61 12.882 -3.835 0.705 1.00 0.02 H HETATM 1447 CAM EFL A 61 13.471 -7.120 1.678 1.00 -0.03 C HETATM 1448 H12 EFL A 61 14.228 -6.853 2.430 1.00 0.02 H HETATM 1449 H13 EFL A 61 13.876 -7.895 1.010 1.00 0.02 H HETATM 1450 H14 EFL A 61 12.572 -7.503 2.182 1.00 0.02 H HETATM 1451 CAI EFL A 61 14.357 -5.702 0.042 1.00 0.25 C HETATM 1452 OAK EFL A 61 15.326 -4.907 0.267 1.00 -0.34 O HETATM 1453 NAJ EFL A 61 14.562 -6.448 -1.112 1.00 -0.24 N HETATM 1454 CAE EFL A 61 13.599 -7.413 -1.496 1.00 0.08 C HETATM 1455 CAF EFL A 61 13.878 -8.509 -2.330 1.00 -0.06 C HETATM 1456 CAA EFL A 61 12.862 -9.442 -2.626 1.00 -0.07 C HETATM 1457 H17 EFL A 61 13.067 -10.277 -3.287 1.00 0.04 H HETATM 1458 H16 EFL A 61 14.871 -8.637 -2.745 1.00 0.04 H HETATM 1459 H15 EFL A 61 15.382 -6.305 -1.666 1.00 0.22 H HETATM 1460 H8 EFL A 61 10.371 -8.125 -0.744 1.00 0.04 H HETATM 1461 H7 EFL A 61 10.909 -11.190 -2.213 1.00 0.21 H HETATM 1462 H6 EFL A 61 8.633 -7.097 -3.504 1.00 0.06 H HETATM 1463 H5 EFL A 61 9.909 -6.936 -7.563 1.00 0.06 H HETATM 1464 H4 EFL A 61 10.640 -9.314 -7.503 1.00 0.06 H HETATM 1465 H1 EFL A 61 10.977 -12.675 -6.083 1.00 0.06 H HETATM 1466 H2 EFL A 61 11.688 -11.182 -6.785 1.00 0.06 H HETATM 1467 H3 EFL A 61 9.994 -11.636 -7.170 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1425 1426 1465 1466 1467 CONECT 1426 1425 1427 CONECT 1427 1426 1428 1433 CONECT 1428 1427 1429 1464 CONECT 1429 1428 1430 1463 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 1433 1462 CONECT 1433 1427 1432 1434 CONECT 1434 1433 1435 1436 1437 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1434 1438 1461 CONECT 1438 1437 1439 1456 CONECT 1439 1438 1440 1460 CONECT 1440 1439 1441 1454 CONECT 1441 1440 1442 CONECT 1442 1441 1443 1447 1451 CONECT 1443 1442 1444 1445 1446 CONECT 1444 1443 CONECT 1445 1443 CONECT 1446 1443 CONECT 1447 1442 1448 1449 1450 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1447 CONECT 1451 1442 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1459 CONECT 1454 1440 1453 1455 CONECT 1455 1454 1456 1458 CONECT 1456 1438 1455 1457 CONECT 1457 1456 CONECT 1458 1455 CONECT 1459 1453 CONECT 1460 1439 CONECT 1461 1437 CONECT 1462 1432 CONECT 1463 1429 CONECT 1464 1428 CONECT 1465 1425 CONECT 1466 1425 CONECT 1467 1425 MASTER 0 0 0 0 0 0 0 0 1466 1 47 11 END
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RCSB PDB
PDBbind
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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
5z1r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 4
Ligand Name
EFL
EC.Number
E.C.-.-.-.-
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
IC50=1.99uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Med.Chem.Lett. Vol. 9: pp. 262-267
Ligand Properties
Formula
C
1
7
H
1
7
BrN
2
O
5
S
Molecular Weight
441.296
Exact Mass
440.004
No. of atoms
43
No. of bonds
45
Polar Surface Area
102.11
LOGP Value
2.65 (
Computed with XLOGP3
)
4.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
COc1ccc(cc1S(=O)(=O)Nc1ccc2c(c1)OC(C(=O)N2)(C)C)Br
InChI String
InChI=1S/C17H17BrN2O5S/c1-17(2)16(21)19-12-6-5-11(9-14(12)25-17)20-26(22,23)15-8-10(18)4-7-13(15)24-3/h4-9,20H,1-3H3,(H,19,21)
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):
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
23476
ASD
Information of known allosteric effects of PDB entries
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