Browse entries in the PDBbind-CN Database
HEADER 5T9Z_COMPLEX COMPND 5T9Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 163 VAL ASN PRO THR VAL PHE PHE ASP ILE ALA VAL ASP GLY SEQRES 2 A 163 GLU PRO LEU GLY ARG VAL SER PHE GLU LEU PHE ALA ASP SEQRES 3 A 163 LYS VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU SER SEQRES 4 A 163 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER CYS PHE SEQRES 5 A 163 HIS ARG ILE ILE PRO GLY PHE MET CYS GLN GLY GLY ASP SEQRES 6 A 163 PHE THR ARG HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 A 163 GLY GLU LYS PHE GLU ASP GLU ASN PHE ILE LEU LYS HIS SEQRES 8 A 163 THR GLY PRO GLY ILE LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 A 163 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ALA LYS SEQRES 10 A 163 THR GLU TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY LYS SEQRES 11 A 163 VAL LYS GLU GLY MET ASN ILE VAL GLU ALA MET GLU ARG SEQRES 12 A 163 PHE GLY SER ARG ASN GLY LYS THR SER LYS LYS ILE THR SEQRES 13 A 163 ILE ALA ASP CYS GLY GLN LEU HET UNN A 372 93 ATOM 1 N VAL A 2 8.746 14.014 -6.635 1.00 37.37 N ATOM 2 CA VAL A 2 7.540 13.221 -6.502 1.00 33.15 C ATOM 3 C VAL A 2 7.657 12.336 -5.243 1.00 22.83 C ATOM 4 O VAL A 2 6.641 11.880 -4.723 1.00 32.60 O ATOM 5 CB VAL A 2 7.272 12.366 -7.774 1.00 23.84 C ATOM 6 CG1 VAL A 2 8.288 11.279 -7.904 1.00 24.93 C ATOM 7 CG2 VAL A 2 5.846 11.800 -7.792 1.00 37.20 C ATOM 8 HN3 VAL A 2 9.567 13.382 -6.725 1.00 0.00 H ATOM 9 HN2 VAL A 2 8.860 14.614 -5.793 1.00 0.00 H ATOM 10 HN1 VAL A 2 8.674 14.613 -7.482 1.00 0.00 H ATOM 11 N ASN A 3 8.869 12.103 -4.729 1.00 21.29 N ATOM 12 CA ASN A 3 8.980 11.292 -3.497 1.00 18.60 C ATOM 13 C ASN A 3 8.411 12.055 -2.316 1.00 15.72 C ATOM 14 O ASN A 3 8.768 13.222 -2.091 1.00 17.97 O ATOM 15 CB ASN A 3 10.432 10.932 -3.175 1.00 14.64 C ATOM 16 CG ASN A 3 10.972 9.792 -4.003 1.00 15.44 C ATOM 17 OD1 ASN A 3 10.223 9.029 -4.630 1.00 17.25 O ATOM 18 ND2 ASN A 3 12.291 9.642 -3.988 1.00 16.47 N ATOM 19 HD22 ASN A 3 12.884 10.305 -3.449 1.00 0.00 H ATOM 20 HD21 ASN A 3 12.732 8.862 -4.516 1.00 0.00 H ATOM 21 H ASN A 3 9.720 12.486 -5.188 1.00 0.00 H ATOM 22 N PRO A 4 7.516 11.423 -1.546 1.00 13.99 N ATOM 23 CA PRO A 4 6.933 12.081 -0.382 1.00 13.52 C ATOM 24 C PRO A 4 7.959 12.321 0.725 1.00 13.17 C ATOM 25 O PRO A 4 8.967 11.563 0.852 1.00 12.79 O ATOM 26 CB PRO A 4 5.861 11.096 0.113 1.00 17.79 C ATOM 27 CG PRO A 4 5.877 9.975 -0.818 1.00 20.00 C ATOM 28 CD PRO A 4 7.060 10.027 -1.697 1.00 14.48 C ATOM 29 N THR A 5 7.686 13.321 1.539 1.00 12.66 N ATOM 30 CA THR A 5 8.464 13.530 2.753 1.00 13.54 C ATOM 31 C THR A 5 7.533 13.536 3.946 1.00 11.71 C ATOM 32 O THR A 5 6.423 14.124 3.912 1.00 12.41 O ATOM 33 CB THR A 5 9.300 14.830 2.712 1.00 20.52 C ATOM 34 OG1 THR A 5 8.433 15.933 2.607 1.00 29.64 O ATOM 35 CG2 THR A 5 10.207 14.845 1.527 1.00 22.11 C ATOM 36 HG1 THR A 5 7.827 15.951 3.390 1.00 0.00 H ATOM 37 H THR A 5 6.905 13.969 1.312 1.00 0.00 H ATOM 38 N VAL A 6 7.918 12.802 4.992 1.00 10.33 N ATOM 39 CA VAL A 6 7.119 12.710 6.190 1.00 9.22 C ATOM 40 C VAL A 6 7.978 13.096 7.380 1.00 8.69 C ATOM 41 O VAL A 6 9.192 13.171 7.271 1.00 8.27 O ATOM 42 CB VAL A 6 6.478 11.334 6.377 1.00 10.83 C ATOM 43 CG1 VAL A 6 5.533 11.067 5.220 1.00 13.35 C ATOM 44 CG2 VAL A 6 7.505 10.291 6.440 1.00 12.64 C ATOM 45 H VAL A 6 8.818 12.283 4.942 1.00 0.00 H ATOM 46 N PHE A 7 7.334 13.413 8.496 1.00 8.40 N ATOM 47 CA PHE A 7 8.055 13.837 9.697 1.00 8.70 C ATOM 48 C PHE A 7 7.484 13.131 10.925 1.00 9.43 C ATOM 49 O PHE A 7 6.282 12.775 11.001 1.00 8.55 O ATOM 50 CB PHE A 7 7.975 15.360 9.895 1.00 10.87 C ATOM 51 CG PHE A 7 6.600 15.847 10.278 1.00 10.94 C ATOM 52 CD1 PHE A 7 5.683 16.171 9.289 1.00 12.03 C ATOM 53 CD2 PHE A 7 6.222 15.988 11.611 1.00 11.43 C ATOM 54 CE1 PHE A 7 4.384 16.602 9.632 1.00 11.70 C ATOM 55 CE2 PHE A 7 4.955 16.377 11.944 1.00 12.09 C ATOM 56 CZ PHE A 7 4.042 16.705 10.951 1.00 12.81 C ATOM 57 H PHE A 7 6.296 13.359 8.518 1.00 0.00 H ATOM 58 N PHE A 8 8.376 12.947 11.896 1.00 8.31 N ATOM 59 CA PHE A 8 8.072 12.551 13.256 1.00 8.37 C ATOM 60 C PHE A 8 8.529 13.666 14.193 1.00 8.27 C ATOM 61 O PHE A 8 9.717 14.042 14.151 1.00 8.83 O ATOM 62 CB PHE A 8 8.816 11.278 13.702 1.00 8.69 C ATOM 63 CG PHE A 8 8.470 10.001 12.983 1.00 8.27 C ATOM 64 CD1 PHE A 8 7.350 9.869 12.160 1.00 8.52 C ATOM 65 CD2 PHE A 8 9.292 8.904 13.184 1.00 8.46 C ATOM 66 CE1 PHE A 8 7.099 8.615 11.578 1.00 9.49 C ATOM 67 CE2 PHE A 8 9.018 7.672 12.633 1.00 8.26 C ATOM 68 CZ PHE A 8 7.910 7.515 11.821 1.00 8.33 C ATOM 69 H PHE A 8 9.377 13.101 11.658 1.00 0.00 H ATOM 70 N ASP A 9 7.653 14.097 15.093 1.00 8.22 N ATOM 71 CA ASP A 9 8.047 14.941 16.235 1.00 9.22 C ATOM 72 C ASP A 9 8.265 14.013 17.402 1.00 9.07 C ATOM 73 O ASP A 9 7.342 13.343 17.835 1.00 9.97 O ATOM 74 CB ASP A 9 6.964 15.981 16.528 1.00 9.30 C ATOM 75 CG ASP A 9 6.940 17.074 15.496 1.00 11.67 C ATOM 76 OD1 ASP A 9 7.997 17.413 14.905 1.00 14.07 O ATOM 77 OD2 ASP A 9 5.820 17.665 15.280 1.00 17.00 O ATOM 78 H ASP A 9 6.653 13.829 14.988 1.00 0.00 H ATOM 79 N ILE A 10 9.511 13.940 17.871 1.00 8.50 N ATOM 80 CA ILE A 10 9.950 13.003 18.898 1.00 8.53 C ATOM 81 C ILE A 10 9.870 13.655 20.264 1.00 9.16 C ATOM 82 O ILE A 10 10.233 14.859 20.406 1.00 9.93 O ATOM 83 CB ILE A 10 11.409 12.535 18.633 1.00 9.18 C ATOM 84 CG1 ILE A 10 11.564 11.953 17.218 1.00 8.79 C ATOM 85 CG2 ILE A 10 11.884 11.596 19.758 1.00 8.85 C ATOM 86 CD1 ILE A 10 10.749 10.690 16.976 1.00 10.78 C ATOM 87 H ILE A 10 10.217 14.595 17.478 1.00 0.00 H ATOM 88 N ALA A 11 9.380 12.918 21.253 1.00 10.02 N ATOM 89 CA ALA A 11 9.376 13.362 22.644 1.00 10.80 C ATOM 90 C ALA A 11 10.121 12.360 23.535 1.00 10.69 C ATOM 91 O ALA A 11 10.162 11.151 23.234 1.00 10.65 O ATOM 92 CB ALA A 11 7.913 13.555 23.146 1.00 10.52 C ATOM 93 H ALA A 11 8.982 11.984 21.028 1.00 0.00 H ATOM 94 N VAL A 12 10.697 12.879 24.635 1.00 11.37 N ATOM 95 CA VAL A 12 11.423 12.080 25.630 1.00 11.42 C ATOM 96 C VAL A 12 10.676 12.267 26.947 1.00 12.90 C ATOM 97 O VAL A 12 10.610 13.405 27.431 1.00 13.53 O ATOM 98 CB VAL A 12 12.883 12.520 25.740 1.00 12.06 C ATOM 99 CG1 VAL A 12 13.587 11.711 26.799 1.00 13.25 C ATOM 100 CG2 VAL A 12 13.561 12.424 24.386 1.00 11.34 C ATOM 101 H VAL A 12 10.624 13.905 24.789 1.00 0.00 H ATOM 102 N ASP A 13 10.045 11.218 27.477 1.00 14.01 N ATOM 103 CA ASP A 13 9.181 11.323 28.656 1.00 18.44 C ATOM 104 C ASP A 13 8.250 12.507 28.541 1.00 16.11 C ATOM 105 O ASP A 13 8.064 13.288 29.497 1.00 18.39 O ATOM 106 CB ASP A 13 10.010 11.395 29.945 1.00 17.06 C ATOM 107 CG ASP A 13 10.515 10.015 30.381 1.00 28.46 C ATOM 108 OD1 ASP A 13 10.131 9.010 29.749 1.00 22.69 O ATOM 109 OD2 ASP A 13 11.267 9.913 31.372 1.00 32.66 O ATOM 110 H ASP A 13 10.172 10.285 27.034 1.00 0.00 H ATOM 111 N GLY A 14 7.625 12.611 27.371 1.00 12.60 N ATOM 112 CA GLY A 14 6.625 13.615 27.084 1.00 12.31 C ATOM 113 C GLY A 14 7.125 15.020 26.801 1.00 13.30 C ATOM 114 O GLY A 14 6.306 15.891 26.527 1.00 18.73 O ATOM 115 H GLY A 14 7.869 11.933 26.622 1.00 0.00 H ATOM 116 N GLU A 15 8.431 15.262 26.818 1.00 12.10 N ATOM 117 CA GLU A 15 8.949 16.594 26.516 1.00 13.66 C ATOM 118 C GLU A 15 9.520 16.653 25.092 1.00 12.10 C ATOM 119 O GLU A 15 10.194 15.711 24.669 1.00 10.89 O ATOM 120 CB GLU A 15 10.015 16.985 27.538 1.00 14.41 C ATOM 121 CG GLU A 15 9.478 17.092 28.981 1.00 15.11 C ATOM 122 CD GLU A 15 8.407 18.165 29.151 1.00 15.24 C ATOM 123 OE1 GLU A 15 8.237 18.992 28.266 1.00 15.47 O ATOM 124 OE2 GLU A 15 7.680 18.176 30.188 1.00 20.72 O ATOM 125 H GLU A 15 9.093 14.494 27.049 1.00 0.00 H ATOM 126 N PRO A 16 9.292 17.754 24.358 1.00 11.91 N ATOM 127 CA PRO A 16 9.713 17.793 22.958 1.00 12.53 C ATOM 128 C PRO A 16 11.194 17.697 22.814 1.00 12.42 C ATOM 129 O PRO A 16 11.956 18.400 23.509 1.00 12.81 O ATOM 130 CB PRO A 16 9.235 19.166 22.454 1.00 14.93 C ATOM 131 CG PRO A 16 8.292 19.664 23.467 1.00 18.58 C ATOM 132 CD PRO A 16 8.623 19.009 24.772 1.00 13.52 C ATOM 133 N LEU A 17 11.650 16.818 21.929 1.00 10.46 N ATOM 134 CA LEU A 17 13.052 16.685 21.601 1.00 10.83 C ATOM 135 C LEU A 17 13.343 17.348 20.242 1.00 11.95 C ATOM 136 O LEU A 17 14.176 18.265 20.153 1.00 10.13 O ATOM 137 CB LEU A 17 13.474 15.192 21.603 1.00 10.48 C ATOM 138 CG LEU A 17 14.877 14.916 21.093 1.00 9.66 C ATOM 139 CD1 LEU A 17 15.914 15.511 22.059 1.00 11.39 C ATOM 140 CD2 LEU A 17 15.110 13.397 20.905 1.00 9.85 C ATOM 141 H LEU A 17 10.967 16.197 21.450 1.00 0.00 H ATOM 142 N GLY A 18 12.649 16.951 19.172 1.00 9.93 N ATOM 143 CA GLY A 18 12.922 17.559 17.874 1.00 11.08 C ATOM 144 C GLY A 18 12.185 16.799 16.787 1.00 9.18 C ATOM 145 O GLY A 18 11.526 15.797 17.082 1.00 9.30 O ATOM 146 H GLY A 18 11.920 16.215 19.263 1.00 0.00 H ATOM 147 N ARG A 19 12.355 17.249 15.559 1.00 8.56 N ATOM 148 CA ARG A 19 11.650 16.657 14.418 1.00 9.00 C ATOM 149 C ARG A 19 12.589 15.905 13.474 1.00 9.14 C ATOM 150 O ARG A 19 13.613 16.461 13.049 1.00 9.93 O ATOM 151 CB ARG A 19 10.903 17.751 13.641 1.00 10.64 C ATOM 152 CG ARG A 19 10.316 17.232 12.347 1.00 11.67 C ATOM 153 CD ARG A 19 9.465 18.359 11.627 1.00 12.07 C ATOM 154 NE ARG A 19 8.277 18.640 12.420 1.00 12.04 N ATOM 155 CZ ARG A 19 7.249 19.356 11.996 1.00 14.85 C ATOM 156 NH1 ARG A 19 7.311 19.897 10.780 1.00 17.61 N ATOM 157 NH2 ARG A 19 6.183 19.505 12.759 1.00 16.60 N ATOM 158 HE ARG A 19 8.234 18.252 13.384 1.00 0.00 H ATOM 159 HH12 ARG A 19 6.516 20.465 10.422 1.00 0.00 H ATOM 160 HH11 ARG A 19 8.154 19.752 10.189 1.00 0.00 H ATOM 161 HH22 ARG A 19 5.377 20.069 12.422 1.00 0.00 H ATOM 162 HH21 ARG A 19 6.149 19.059 13.698 1.00 0.00 H ATOM 163 H ARG A 19 13.006 18.044 15.396 1.00 0.00 H ATOM 164 N VAL A 20 12.273 14.644 13.145 1.00 9.08 N ATOM 165 CA VAL A 20 13.021 13.885 12.141 1.00 9.11 C ATOM 166 C VAL A 20 12.189 13.831 10.877 1.00 8.77 C ATOM 167 O VAL A 20 11.011 13.438 10.973 1.00 9.09 O ATOM 168 CB VAL A 20 13.334 12.467 12.648 1.00 8.39 C ATOM 169 CG1 VAL A 20 14.164 11.720 11.610 1.00 9.31 C ATOM 170 CG2 VAL A 20 14.104 12.510 13.959 1.00 11.31 C ATOM 171 H VAL A 20 11.468 14.189 13.620 1.00 0.00 H ATOM 172 N SER A 21 12.761 14.252 9.743 1.00 9.25 N ATOM 173 CA SER A 21 12.044 14.203 8.492 1.00 9.38 C ATOM 174 C SER A 21 12.693 13.154 7.581 1.00 9.38 C ATOM 175 O SER A 21 13.899 12.913 7.656 1.00 9.41 O ATOM 176 CB SER A 21 12.020 15.572 7.804 1.00 14.10 C ATOM 177 OG SER A 21 11.552 16.583 8.718 1.00 17.54 O ATOM 178 HG SER A 21 11.542 17.461 8.260 1.00 0.00 H ATOM 179 H SER A 21 13.734 14.619 9.764 1.00 0.00 H ATOM 180 N PHE A 22 11.880 12.479 6.771 1.00 8.01 N ATOM 181 CA PHE A 22 12.341 11.361 5.908 1.00 9.05 C ATOM 182 C PHE A 22 11.922 11.628 4.483 1.00 8.43 C ATOM 183 O PHE A 22 10.767 12.069 4.250 1.00 9.76 O ATOM 184 CB PHE A 22 11.713 10.022 6.331 1.00 9.10 C ATOM 185 CG PHE A 22 11.856 9.711 7.791 1.00 8.00 C ATOM 186 CD1 PHE A 22 12.963 9.027 8.260 1.00 8.00 C ATOM 187 CD2 PHE A 22 10.837 10.032 8.666 1.00 9.65 C ATOM 188 CE1 PHE A 22 13.063 8.700 9.644 1.00 9.18 C ATOM 189 CE2 PHE A 22 10.922 9.722 10.030 1.00 9.02 C ATOM 190 CZ PHE A 22 12.023 9.051 10.512 1.00 9.47 C ATOM 191 H PHE A 22 10.876 12.747 6.741 1.00 0.00 H ATOM 192 N GLU A 23 12.824 11.319 3.548 1.00 9.36 N ATOM 193 CA GLU A 23 12.435 11.104 2.161 1.00 9.98 C ATOM 194 C GLU A 23 12.058 9.645 1.992 1.00 9.22 C ATOM 195 O GLU A 23 12.804 8.768 2.405 1.00 9.74 O ATOM 196 CB GLU A 23 13.572 11.446 1.196 1.00 11.95 C ATOM 197 CG GLU A 23 13.154 11.236 -0.251 1.00 14.58 C ATOM 198 CD GLU A 23 14.208 11.610 -1.283 1.00 19.49 C ATOM 199 OE1 GLU A 23 15.300 12.068 -0.897 1.00 19.42 O ATOM 200 OE2 GLU A 23 13.923 11.451 -2.491 1.00 18.29 O ATOM 201 H GLU A 23 13.825 11.230 3.816 1.00 0.00 H ATOM 202 N LEU A 24 10.922 9.381 1.359 1.00 9.54 N ATOM 203 CA LEU A 24 10.474 8.015 1.079 1.00 9.14 C ATOM 204 C LEU A 24 10.681 7.723 -0.398 1.00 9.59 C ATOM 205 O LEU A 24 10.190 8.481 -1.246 1.00 10.65 O ATOM 206 CB LEU A 24 8.990 7.835 1.462 1.00 9.66 C ATOM 207 CG LEU A 24 8.648 8.241 2.878 1.00 8.92 C ATOM 208 CD1 LEU A 24 7.177 7.956 3.160 1.00 9.35 C ATOM 209 CD2 LEU A 24 9.541 7.521 3.903 1.00 9.70 C ATOM 210 H LEU A 24 10.326 10.175 1.050 1.00 0.00 H ATOM 211 N PHE A 25 11.357 6.621 -0.699 1.00 10.41 N ATOM 212 CA PHE A 25 11.762 6.370 -2.064 1.00 12.23 C ATOM 213 C PHE A 25 10.677 5.637 -2.850 1.00 13.62 C ATOM 214 O PHE A 25 10.848 4.484 -3.254 1.00 14.01 O ATOM 215 CB PHE A 25 13.065 5.572 -2.082 1.00 13.73 C ATOM 216 CG PHE A 25 14.208 6.236 -1.337 1.00 11.73 C ATOM 217 CD1 PHE A 25 14.506 7.574 -1.551 1.00 16.00 C ATOM 218 CD2 PHE A 25 15.019 5.507 -0.486 1.00 13.32 C ATOM 219 CE1 PHE A 25 15.597 8.199 -0.885 1.00 16.28 C ATOM 220 CE2 PHE A 25 16.075 6.133 0.175 1.00 14.11 C ATOM 221 CZ PHE A 25 16.372 7.458 -0.023 1.00 15.65 C ATOM 222 H PHE A 25 11.596 5.938 0.048 1.00 0.00 H ATOM 223 N ALA A 26 9.596 6.352 -3.102 1.00 12.19 N ATOM 224 CA ALA A 26 8.433 5.817 -3.799 1.00 13.11 C ATOM 225 C ALA A 26 8.795 5.451 -5.225 1.00 18.39 C ATOM 226 O ALA A 26 8.152 4.569 -5.824 1.00 17.80 O ATOM 227 CB ALA A 26 7.302 6.783 -3.762 1.00 13.78 C ATOM 228 H ALA A 26 9.573 7.343 -2.788 1.00 0.00 H ATOM 229 N ASP A 27 9.825 6.098 -5.761 1.00 15.30 N ATOM 230 CA ASP A 27 10.288 5.778 -7.119 1.00 16.87 C ATOM 231 C ASP A 27 10.839 4.367 -7.242 1.00 24.29 C ATOM 232 O ASP A 27 10.834 3.807 -8.333 1.00 29.29 O ATOM 233 CB ASP A 27 11.332 6.821 -7.601 1.00 19.70 C ATOM 234 CG ASP A 27 12.616 6.839 -6.771 1.00 24.56 C ATOM 235 OD1 ASP A 27 12.583 6.734 -5.522 1.00 20.88 O ATOM 236 OD2 ASP A 27 13.703 6.943 -7.386 1.00 38.40 O ATOM 237 H ASP A 27 10.308 6.839 -5.214 1.00 0.00 H ATOM 238 N LYS A 28 11.290 3.773 -6.139 1.00 16.42 N ATOM 239 CA LYS A 28 11.849 2.438 -6.206 1.00 17.04 C ATOM 240 C LYS A 28 11.052 1.387 -5.425 1.00 13.94 C ATOM 241 O LYS A 28 11.057 0.206 -5.755 1.00 14.83 O ATOM 242 CB LYS A 28 13.286 2.440 -5.731 1.00 21.62 C ATOM 243 CG LYS A 28 14.187 3.141 -6.746 1.00 24.97 C ATOM 244 CD LYS A 28 15.648 3.045 -6.407 1.00 32.01 C ATOM 245 CE LYS A 28 16.486 3.673 -7.517 1.00 39.13 C ATOM 246 NZ LYS A 28 16.084 5.094 -7.741 1.00 41.00 N ATOM 247 HZ1 LYS A 28 15.081 5.130 -8.014 1.00 0.00 H ATOM 248 HZ2 LYS A 28 16.226 5.635 -6.864 1.00 0.00 H ATOM 249 HZ3 LYS A 28 16.666 5.502 -8.500 1.00 0.00 H ATOM 250 H LYS A 28 11.241 4.269 -5.226 1.00 0.00 H ATOM 251 N VAL A 29 10.404 1.809 -4.345 1.00 15.04 N ATOM 252 CA VAL A 29 9.591 0.894 -3.525 1.00 12.55 C ATOM 253 C VAL A 29 8.268 1.597 -3.194 1.00 12.17 C ATOM 254 O VAL A 29 7.984 1.993 -2.048 1.00 11.60 O ATOM 255 CB VAL A 29 10.304 0.438 -2.217 1.00 14.49 C ATOM 256 CG1 VAL A 29 11.146 -0.764 -2.465 1.00 14.85 C ATOM 257 CG2 VAL A 29 11.107 1.551 -1.625 1.00 15.52 C ATOM 258 H VAL A 29 10.472 2.810 -4.071 1.00 0.00 H ATOM 259 N PRO A 30 7.414 1.747 -4.208 1.00 13.09 N ATOM 260 CA PRO A 30 6.205 2.531 -3.995 1.00 13.14 C ATOM 261 C PRO A 30 5.227 1.924 -2.958 1.00 10.99 C ATOM 262 O PRO A 30 4.595 2.696 -2.237 1.00 10.88 O ATOM 263 CB PRO A 30 5.547 2.546 -5.386 1.00 13.97 C ATOM 264 CG PRO A 30 6.180 1.414 -6.156 1.00 14.43 C ATOM 265 CD PRO A 30 7.582 1.346 -5.624 1.00 13.24 C ATOM 266 N LYS A 31 5.062 0.596 -2.897 1.00 12.10 N ATOM 267 CA LYS A 31 4.098 0.038 -1.969 1.00 10.69 C ATOM 268 C LYS A 31 4.572 0.222 -0.542 1.00 11.18 C ATOM 269 O LYS A 31 3.814 0.498 0.365 1.00 9.72 O ATOM 270 CB LYS A 31 3.843 -1.452 -2.265 1.00 11.76 C ATOM 271 CG LYS A 31 2.782 -2.088 -1.439 1.00 20.47 C ATOM 272 CD LYS A 31 2.505 -3.535 -1.920 1.00 23.47 C ATOM 273 CE LYS A 31 1.467 -4.222 -1.037 1.00 19.24 C ATOM 274 NZ LYS A 31 1.207 -5.631 -1.515 1.00 31.55 N ATOM 275 HZ1 LYS A 31 0.853 -5.604 -2.492 1.00 0.00 H ATOM 276 HZ2 LYS A 31 2.092 -6.176 -1.481 1.00 0.00 H ATOM 277 HZ3 LYS A 31 0.498 -6.079 -0.900 1.00 0.00 H ATOM 278 H LYS A 31 5.621 -0.030 -3.511 1.00 0.00 H ATOM 279 N THR A 32 5.875 0.060 -0.365 1.00 9.82 N ATOM 280 CA THR A 32 6.440 0.166 0.974 1.00 10.55 C ATOM 281 C THR A 32 6.453 1.635 1.407 1.00 10.02 C ATOM 282 O THR A 32 6.126 1.958 2.554 1.00 10.00 O ATOM 283 CB THR A 32 7.842 -0.441 0.996 1.00 9.31 C ATOM 284 OG1 THR A 32 7.769 -1.797 0.494 1.00 10.01 O ATOM 285 CG2 THR A 32 8.401 -0.478 2.385 1.00 10.54 C ATOM 286 HG1 THR A 32 7.421 -1.786 -0.433 1.00 0.00 H ATOM 287 H THR A 32 6.492 -0.142 -1.178 1.00 0.00 H ATOM 288 N ALA A 33 6.829 2.521 0.497 1.00 10.16 N ATOM 289 CA ALA A 33 6.782 3.947 0.810 1.00 10.01 C ATOM 290 C ALA A 33 5.361 4.409 1.156 1.00 9.78 C ATOM 291 O ALA A 33 5.151 5.166 2.095 1.00 9.82 O ATOM 292 CB ALA A 33 7.336 4.787 -0.383 1.00 11.45 C ATOM 293 H ALA A 33 7.157 2.202 -0.437 1.00 0.00 H ATOM 294 N GLU A 34 4.372 3.922 0.392 1.00 9.05 N ATOM 295 CA GLU A 34 3.024 4.348 0.655 1.00 9.57 C ATOM 296 C GLU A 34 2.488 3.886 1.994 1.00 8.50 C ATOM 297 O GLU A 34 1.782 4.617 2.657 1.00 9.35 O ATOM 298 CB GLU A 34 2.109 3.841 -0.476 1.00 11.26 C ATOM 299 CG GLU A 34 0.615 4.048 -0.237 1.00 11.83 C ATOM 300 CD GLU A 34 0.206 5.525 -0.127 1.00 12.69 C ATOM 301 OE1 GLU A 34 1.005 6.427 -0.506 1.00 13.93 O ATOM 302 OE2 GLU A 34 -0.924 5.751 0.367 1.00 14.11 O ATOM 303 H GLU A 34 4.576 3.250 -0.375 1.00 0.00 H ATOM 304 N ASN A 35 2.841 2.671 2.396 1.00 8.36 N ATOM 305 CA ASN A 35 2.476 2.199 3.722 1.00 9.03 C ATOM 306 C ASN A 35 2.967 3.164 4.815 1.00 9.49 C ATOM 307 O ASN A 35 2.220 3.583 5.696 1.00 7.94 O ATOM 308 CB ASN A 35 3.052 0.769 3.898 1.00 8.48 C ATOM 309 CG ASN A 35 2.745 0.156 5.248 1.00 8.64 C ATOM 310 OD1 ASN A 35 1.566 -0.041 5.578 1.00 8.60 O ATOM 311 ND2 ASN A 35 3.783 -0.204 6.026 1.00 9.07 N ATOM 312 HD22 ASN A 35 4.757 -0.020 5.711 1.00 0.00 H ATOM 313 HD21 ASN A 35 3.611 -0.666 6.942 1.00 0.00 H ATOM 314 H ASN A 35 3.382 2.053 1.758 1.00 0.00 H ATOM 315 N PHE A 36 4.270 3.462 4.767 1.00 7.55 N ATOM 316 CA PHE A 36 4.866 4.314 5.792 1.00 9.03 C ATOM 317 C PHE A 36 4.255 5.728 5.750 1.00 8.42 C ATOM 318 O PHE A 36 4.020 6.337 6.778 1.00 7.91 O ATOM 319 CB PHE A 36 6.369 4.383 5.573 1.00 8.74 C ATOM 320 CG PHE A 36 7.125 5.043 6.705 1.00 8.59 C ATOM 321 CD1 PHE A 36 7.633 4.267 7.753 1.00 8.91 C ATOM 322 CD2 PHE A 36 7.381 6.411 6.688 1.00 8.37 C ATOM 323 CE1 PHE A 36 8.339 4.861 8.805 1.00 8.70 C ATOM 324 CE2 PHE A 36 8.146 6.998 7.711 1.00 8.62 C ATOM 325 CZ PHE A 36 8.601 6.193 8.779 1.00 9.07 C ATOM 326 H PHE A 36 4.860 3.086 3.998 1.00 0.00 H ATOM 327 N ARG A 37 4.027 6.238 4.544 1.00 7.28 N ATOM 328 CA ARG A 37 3.418 7.560 4.391 1.00 8.86 C ATOM 329 C ARG A 37 2.009 7.623 5.035 1.00 7.99 C ATOM 330 O ARG A 37 1.714 8.504 5.853 1.00 7.70 O ATOM 331 CB ARG A 37 3.328 7.908 2.896 1.00 9.32 C ATOM 332 CG ARG A 37 2.835 9.346 2.650 1.00 10.38 C ATOM 333 CD ARG A 37 2.176 9.540 1.251 1.00 10.64 C ATOM 334 NE ARG A 37 0.950 8.748 1.143 1.00 10.95 N ATOM 335 CZ ARG A 37 -0.195 9.074 1.727 1.00 10.97 C ATOM 336 NH1 ARG A 37 -0.354 10.217 2.379 1.00 13.38 N ATOM 337 NH2 ARG A 37 -1.232 8.237 1.632 1.00 13.33 N ATOM 338 HE ARG A 37 0.979 7.878 0.574 1.00 0.00 H ATOM 339 HH12 ARG A 37 -1.267 10.439 2.825 1.00 0.00 H ATOM 340 HH11 ARG A 37 0.434 10.892 2.445 1.00 0.00 H ATOM 341 HH22 ARG A 37 -2.137 8.477 2.084 1.00 0.00 H ATOM 342 HH21 ARG A 37 -1.134 7.345 1.106 1.00 0.00 H ATOM 343 H ARG A 37 4.285 5.691 3.698 1.00 0.00 H ATOM 344 N ALA A 38 1.180 6.622 4.712 1.00 7.46 N ATOM 345 CA ALA A 38 -0.187 6.621 5.250 1.00 8.19 C ATOM 346 C ALA A 38 -0.232 6.372 6.745 1.00 7.42 C ATOM 347 O ALA A 38 -1.074 6.920 7.481 1.00 8.71 O ATOM 348 CB ALA A 38 -1.005 5.578 4.485 1.00 9.61 C ATOM 349 H ALA A 38 1.500 5.854 4.088 1.00 0.00 H ATOM 350 N LEU A 39 0.680 5.530 7.228 1.00 7.51 N ATOM 351 CA LEU A 39 0.768 5.343 8.701 1.00 7.61 C ATOM 352 C LEU A 39 1.234 6.622 9.438 1.00 7.51 C ATOM 353 O LEU A 39 0.885 6.842 10.616 1.00 8.19 O ATOM 354 CB LEU A 39 1.701 4.176 9.027 1.00 7.90 C ATOM 355 CG LEU A 39 1.142 2.804 8.588 1.00 7.75 C ATOM 356 CD1 LEU A 39 2.219 1.737 8.819 1.00 8.57 C ATOM 357 CD2 LEU A 39 -0.132 2.471 9.383 1.00 9.50 C ATOM 358 H LEU A 39 1.317 5.014 6.588 1.00 0.00 H ATOM 359 N SER A 40 2.022 7.460 8.736 1.00 7.96 N ATOM 360 CA SER A 40 2.509 8.738 9.308 1.00 8.84 C ATOM 361 C SER A 40 1.387 9.778 9.340 1.00 10.11 C ATOM 362 O SER A 40 1.314 10.577 10.268 1.00 10.51 O ATOM 363 CB SER A 40 3.716 9.267 8.507 1.00 8.69 C ATOM 364 OG SER A 40 4.796 8.338 8.697 1.00 9.09 O ATOM 365 HG SER A 40 4.524 7.445 8.367 1.00 0.00 H ATOM 366 H SER A 40 2.296 7.203 7.766 1.00 0.00 H ATOM 367 N THR A 41 0.504 9.765 8.335 1.00 8.91 N ATOM 368 CA THR A 41 -0.584 10.759 8.340 1.00 8.87 C ATOM 369 C THR A 41 -1.706 10.298 9.224 1.00 9.57 C ATOM 370 O THR A 41 -2.550 11.096 9.644 1.00 11.65 O ATOM 371 CB THR A 41 -1.143 11.027 6.937 1.00 10.34 C ATOM 372 OG1 THR A 41 -1.766 9.811 6.451 1.00 9.98 O ATOM 373 CG2 THR A 41 -0.096 11.564 5.948 1.00 10.49 C ATOM 374 HG1 THR A 41 -2.132 9.969 5.545 1.00 0.00 H ATOM 375 H THR A 41 0.584 9.068 7.567 1.00 0.00 H ATOM 376 N GLY A 42 -1.798 8.984 9.458 1.00 9.92 N ATOM 377 CA GLY A 42 -2.937 8.456 10.205 1.00 10.87 C ATOM 378 C GLY A 42 -4.222 8.352 9.411 1.00 10.07 C ATOM 379 O GLY A 42 -5.270 8.134 10.017 1.00 11.13 O ATOM 380 H GLY A 42 -1.060 8.340 9.109 1.00 0.00 H ATOM 381 N GLU A 43 -4.172 8.500 8.087 1.00 10.32 N ATOM 382 CA GLU A 43 -5.405 8.617 7.298 1.00 10.47 C ATOM 383 C GLU A 43 -6.247 7.341 7.276 1.00 11.01 C ATOM 384 O GLU A 43 -7.430 7.435 6.944 1.00 11.47 O ATOM 385 CB GLU A 43 -5.087 9.033 5.857 1.00 12.59 C ATOM 386 CG GLU A 43 -4.231 8.102 5.054 1.00 14.75 C ATOM 387 CD GLU A 43 -3.609 8.867 3.850 1.00 17.10 C ATOM 388 OE1 GLU A 43 -2.869 9.859 4.066 1.00 17.55 O ATOM 389 OE2 GLU A 43 -3.880 8.481 2.700 1.00 14.87 O ATOM 390 H GLU A 43 -3.250 8.533 7.608 1.00 0.00 H ATOM 391 N LYS A 44 -5.689 6.179 7.612 1.00 9.52 N ATOM 392 CA LYS A 44 -6.535 4.953 7.686 1.00 9.11 C ATOM 393 C LYS A 44 -7.171 4.800 9.067 1.00 10.14 C ATOM 394 O LYS A 44 -7.910 3.821 9.290 1.00 10.58 O ATOM 395 CB LYS A 44 -5.715 3.710 7.389 1.00 9.90 C ATOM 396 CG LYS A 44 -4.929 3.749 6.105 1.00 12.70 C ATOM 397 CD LYS A 44 -5.814 3.945 4.906 1.00 15.38 C ATOM 398 CE LYS A 44 -4.944 3.775 3.653 1.00 19.84 C ATOM 399 NZ LYS A 44 -5.638 3.992 2.372 1.00 20.36 N ATOM 400 HZ1 LYS A 44 -6.421 3.313 2.284 1.00 0.00 H ATOM 401 HZ2 LYS A 44 -6.014 4.961 2.343 1.00 0.00 H ATOM 402 HZ3 LYS A 44 -4.968 3.855 1.589 1.00 0.00 H ATOM 403 H LYS A 44 -4.672 6.127 7.821 1.00 0.00 H ATOM 404 N GLY A 45 -6.956 5.733 9.984 1.00 8.70 N ATOM 405 CA GLY A 45 -7.488 5.596 11.334 1.00 10.55 C ATOM 406 C GLY A 45 -6.609 4.886 12.364 1.00 10.98 C ATOM 407 O GLY A 45 -7.062 4.566 13.471 1.00 12.51 O ATOM 408 H GLY A 45 -6.399 6.576 9.736 1.00 0.00 H ATOM 409 N PHE A 46 -5.329 4.625 12.007 1.00 9.14 N ATOM 410 CA PHE A 46 -4.328 3.998 12.880 1.00 9.97 C ATOM 411 C PHE A 46 -2.989 4.408 12.280 1.00 10.05 C ATOM 412 O PHE A 46 -2.922 4.874 11.130 1.00 9.89 O ATOM 413 CB PHE A 46 -4.477 2.467 12.971 1.00 10.62 C ATOM 414 CG PHE A 46 -4.613 1.803 11.638 1.00 9.22 C ATOM 415 CD1 PHE A 46 -5.845 1.368 11.177 1.00 9.27 C ATOM 416 CD2 PHE A 46 -3.486 1.507 10.845 1.00 9.10 C ATOM 417 CE1 PHE A 46 -5.966 0.765 9.917 1.00 9.42 C ATOM 418 CE2 PHE A 46 -3.641 0.916 9.601 1.00 8.52 C ATOM 419 CZ PHE A 46 -4.901 0.508 9.143 1.00 10.37 C ATOM 420 H PHE A 46 -5.033 4.888 11.045 1.00 0.00 H ATOM 421 N GLY A 47 -1.932 4.223 13.052 1.00 9.86 N ATOM 422 CA GLY A 47 -0.628 4.645 12.575 1.00 10.23 C ATOM 423 C GLY A 47 0.302 4.991 13.704 1.00 8.27 C ATOM 424 O GLY A 47 0.114 4.601 14.874 1.00 9.36 O ATOM 425 H GLY A 47 -2.033 3.781 13.988 1.00 0.00 H ATOM 426 N TYR A 48 1.364 5.711 13.306 1.00 8.15 N ATOM 427 CA TYR A 48 2.515 5.891 14.195 1.00 8.25 C ATOM 428 C TYR A 48 2.297 6.865 15.322 1.00 8.32 C ATOM 429 O TYR A 48 3.020 6.801 16.321 1.00 9.29 O ATOM 430 CB TYR A 48 3.753 6.323 13.408 1.00 7.89 C ATOM 431 CG TYR A 48 4.232 5.290 12.423 1.00 7.43 C ATOM 432 CD1 TYR A 48 4.393 3.966 12.792 1.00 8.36 C ATOM 433 CD2 TYR A 48 4.510 5.627 11.095 1.00 7.20 C ATOM 434 CE1 TYR A 48 4.853 3.007 11.899 1.00 7.67 C ATOM 435 CE2 TYR A 48 4.981 4.695 10.189 1.00 7.48 C ATOM 436 CZ TYR A 48 5.136 3.356 10.584 1.00 6.56 C ATOM 437 OH TYR A 48 5.599 2.453 9.687 1.00 6.97 O ATOM 438 HH TYR A 48 5.651 1.562 10.115 1.00 0.00 H ATOM 439 H TYR A 48 1.369 6.144 12.360 1.00 0.00 H ATOM 440 N LYS A 49 1.325 7.770 15.215 1.00 7.70 N ATOM 441 CA LYS A 49 1.220 8.788 16.250 1.00 9.25 C ATOM 442 C LYS A 49 1.009 8.180 17.634 1.00 10.06 C ATOM 443 O LYS A 49 0.097 7.322 17.799 1.00 11.58 O ATOM 444 CB LYS A 49 0.070 9.754 15.914 1.00 11.70 C ATOM 445 CG LYS A 49 -0.087 10.892 16.954 1.00 14.06 C ATOM 446 CD LYS A 49 -1.298 11.771 16.627 1.00 20.53 C ATOM 447 CE LYS A 49 -1.248 13.037 17.441 1.00 26.24 C ATOM 448 NZ LYS A 49 -2.335 13.977 17.017 1.00 41.29 N ATOM 449 HZ1 LYS A 49 -2.213 14.216 16.012 1.00 0.00 H ATOM 450 HZ2 LYS A 49 -3.259 13.521 17.156 1.00 0.00 H ATOM 451 HZ3 LYS A 49 -2.285 14.844 17.589 1.00 0.00 H ATOM 452 H LYS A 49 0.661 7.750 14.415 1.00 0.00 H ATOM 453 N GLY A 50 1.818 8.591 18.604 1.00 11.44 N ATOM 454 CA GLY A 50 1.717 8.122 19.983 1.00 10.09 C ATOM 455 C GLY A 50 2.486 6.853 20.273 1.00 13.15 C ATOM 456 O GLY A 50 2.620 6.488 21.435 1.00 15.93 O ATOM 457 H GLY A 50 2.560 9.281 18.370 1.00 0.00 H ATOM 458 N SER A 51 3.028 6.189 19.239 1.00 9.95 N ATOM 459 CA SER A 51 3.792 4.964 19.432 1.00 11.02 C ATOM 460 C SER A 51 5.227 5.294 19.859 1.00 10.26 C ATOM 461 O SER A 51 5.695 6.457 19.808 1.00 10.86 O ATOM 462 CB SER A 51 3.780 4.109 18.147 1.00 11.80 C ATOM 463 OG SER A 51 4.537 4.697 17.088 1.00 11.30 O ATOM 464 HG SER A 51 4.158 5.584 16.867 1.00 0.00 H ATOM 465 H SER A 51 2.899 6.559 18.276 1.00 0.00 H ATOM 466 N CYS A 52 5.940 4.257 20.286 1.00 9.83 N ATOM 467 CA CYS A 52 7.260 4.507 20.827 1.00 11.87 C ATOM 468 C CYS A 52 8.363 3.810 20.035 1.00 10.49 C ATOM 469 O CYS A 52 8.093 2.927 19.221 1.00 11.29 O ATOM 470 CB CYS A 52 7.333 4.100 22.292 1.00 15.43 C ATOM 471 SG CYS A 52 7.589 2.377 22.621 1.00 20.16 S ATOM 472 H CYS A 52 5.560 3.290 20.233 1.00 0.00 H ATOM 473 N PHE A 53 9.587 4.238 20.225 1.00 8.72 N ATOM 474 CA PHE A 53 10.762 3.507 19.773 1.00 8.98 C ATOM 475 C PHE A 53 11.089 2.526 20.877 1.00 9.66 C ATOM 476 O PHE A 53 11.601 2.938 21.918 1.00 13.05 O ATOM 477 CB PHE A 53 11.937 4.465 19.514 1.00 9.14 C ATOM 478 CG PHE A 53 11.823 5.184 18.175 1.00 8.74 C ATOM 479 CD1 PHE A 53 10.988 6.309 18.010 1.00 9.42 C ATOM 480 CD2 PHE A 53 12.504 4.687 17.062 1.00 8.16 C ATOM 481 CE1 PHE A 53 10.863 6.894 16.755 1.00 7.49 C ATOM 482 CE2 PHE A 53 12.422 5.302 15.822 1.00 8.53 C ATOM 483 CZ PHE A 53 11.559 6.427 15.680 1.00 7.40 C ATOM 484 H PHE A 53 9.725 5.141 20.721 1.00 0.00 H ATOM 485 N HIS A 54 10.831 1.248 20.633 1.00 9.35 N ATOM 486 CA HIS A 54 10.984 0.271 21.711 1.00 10.06 C ATOM 487 C HIS A 54 12.379 -0.325 21.789 1.00 11.36 C ATOM 488 O HIS A 54 12.697 -0.949 22.794 1.00 11.98 O ATOM 489 CB HIS A 54 9.951 -0.863 21.581 1.00 10.78 C ATOM 490 CG HIS A 54 10.060 -1.652 20.326 1.00 10.73 C ATOM 491 ND1 HIS A 54 9.529 -1.219 19.126 1.00 11.41 N ATOM 492 CD2 HIS A 54 10.587 -2.876 20.085 1.00 11.84 C ATOM 493 CE1 HIS A 54 9.744 -2.133 18.197 1.00 12.70 C ATOM 494 NE2 HIS A 54 10.363 -3.153 18.753 1.00 12.70 N ATOM 495 H HIS A 54 10.524 0.944 19.687 1.00 0.00 H ATOM 496 N ARG A 55 13.205 -0.151 20.774 1.00 8.85 N ATOM 497 CA ARG A 55 14.538 -0.757 20.805 1.00 8.16 C ATOM 498 C ARG A 55 15.504 0.246 20.203 1.00 8.39 C ATOM 499 O ARG A 55 15.425 0.570 19.013 1.00 9.70 O ATOM 500 CB ARG A 55 14.590 -2.079 19.998 1.00 9.82 C ATOM 501 CG ARG A 55 15.903 -2.860 20.111 1.00 9.25 C ATOM 502 CD ARG A 55 15.834 -4.252 19.398 1.00 11.04 C ATOM 503 NE ARG A 55 14.865 -5.099 20.092 1.00 10.85 N ATOM 504 CZ ARG A 55 13.817 -5.656 19.510 1.00 13.85 C ATOM 505 NH1 ARG A 55 13.627 -5.508 18.200 1.00 14.74 N ATOM 506 NH2 ARG A 55 12.967 -6.386 20.234 1.00 16.51 N ATOM 507 HE ARG A 55 15.009 -5.274 21.107 1.00 0.00 H ATOM 508 HH12 ARG A 55 12.803 -5.946 17.741 1.00 0.00 H ATOM 509 HH11 ARG A 55 14.303 -4.955 17.636 1.00 0.00 H ATOM 510 HH22 ARG A 55 12.141 -6.826 19.779 1.00 0.00 H ATOM 511 HH21 ARG A 55 13.130 -6.515 21.253 1.00 0.00 H ATOM 512 H ARG A 55 12.910 0.416 19.953 1.00 0.00 H ATOM 513 N ILE A 56 16.415 0.744 21.020 1.00 7.97 N ATOM 514 CA ILE A 56 17.426 1.683 20.530 1.00 8.56 C ATOM 515 C ILE A 56 18.793 1.151 20.948 1.00 8.00 C ATOM 516 O ILE A 56 19.044 1.075 22.142 1.00 8.60 O ATOM 517 CB ILE A 56 17.190 3.102 21.096 1.00 7.82 C ATOM 518 CG1 ILE A 56 15.831 3.668 20.612 1.00 6.73 C ATOM 519 CG2 ILE A 56 18.366 4.022 20.731 1.00 9.11 C ATOM 520 CD1 ILE A 56 15.568 5.138 21.122 1.00 9.22 C ATOM 521 H ILE A 56 16.414 0.466 22.022 1.00 0.00 H ATOM 522 N ILE A 57 19.638 0.843 19.972 1.00 8.19 N ATOM 523 CA ILE A 57 20.953 0.232 20.227 1.00 8.99 C ATOM 524 C ILE A 57 21.941 1.229 19.627 1.00 8.50 C ATOM 525 O ILE A 57 22.036 1.355 18.410 1.00 8.48 O ATOM 526 CB ILE A 57 21.062 -1.152 19.587 1.00 8.29 C ATOM 527 CG1 ILE A 57 20.016 -2.080 20.242 1.00 8.67 C ATOM 528 CG2 ILE A 57 22.512 -1.687 19.733 1.00 9.21 C ATOM 529 CD1 ILE A 57 19.848 -3.439 19.515 1.00 9.80 C ATOM 530 H ILE A 57 19.361 1.041 18.989 1.00 0.00 H ATOM 531 N PRO A 58 22.657 1.964 20.497 1.00 8.65 N ATOM 532 CA PRO A 58 23.595 3.002 20.038 1.00 9.05 C ATOM 533 C PRO A 58 24.632 2.451 19.078 1.00 10.44 C ATOM 534 O PRO A 58 25.129 1.350 19.304 1.00 10.57 O ATOM 535 CB PRO A 58 24.236 3.506 21.354 1.00 11.00 C ATOM 536 CG PRO A 58 23.190 3.268 22.381 1.00 11.05 C ATOM 537 CD PRO A 58 22.533 1.918 21.969 1.00 9.22 C ATOM 538 N GLY A 59 24.860 3.157 17.967 1.00 10.20 N ATOM 539 CA GLY A 59 25.820 2.708 16.966 1.00 10.59 C ATOM 540 C GLY A 59 25.266 1.683 15.986 1.00 9.68 C ATOM 541 O GLY A 59 25.955 1.274 15.057 1.00 9.71 O ATOM 542 H GLY A 59 24.342 4.045 17.813 1.00 0.00 H ATOM 543 N PHE A 60 24.002 1.310 16.145 1.00 8.24 N ATOM 544 CA PHE A 60 23.337 0.349 15.272 1.00 8.29 C ATOM 545 C PHE A 60 22.065 0.944 14.643 1.00 9.57 C ATOM 546 O PHE A 60 22.085 1.347 13.478 1.00 9.10 O ATOM 547 CB PHE A 60 23.066 -0.931 16.088 1.00 9.11 C ATOM 548 CG PHE A 60 22.417 -2.089 15.312 1.00 8.93 C ATOM 549 CD1 PHE A 60 22.461 -2.165 13.916 1.00 10.12 C ATOM 550 CD2 PHE A 60 21.775 -3.084 16.002 1.00 10.05 C ATOM 551 CE1 PHE A 60 21.946 -3.282 13.245 1.00 11.83 C ATOM 552 CE2 PHE A 60 21.198 -4.173 15.325 1.00 10.39 C ATOM 553 CZ PHE A 60 21.298 -4.265 13.959 1.00 10.25 C ATOM 554 H PHE A 60 23.459 1.723 16.930 1.00 0.00 H ATOM 555 N MET A 61 21.007 1.040 15.434 1.00 8.80 N ATOM 556 CA MET A 61 19.741 1.524 14.875 1.00 8.37 C ATOM 557 C MET A 61 18.748 1.830 15.955 1.00 7.71 C ATOM 558 O MET A 61 18.901 1.417 17.145 1.00 8.88 O ATOM 559 CB MET A 61 19.195 0.495 13.884 1.00 8.84 C ATOM 560 CG MET A 61 19.049 -0.848 14.487 1.00 9.05 C ATOM 561 SD MET A 61 18.242 -1.709 13.302 1.00 77.91 S ATOM 562 CE MET A 61 19.586 -1.864 12.128 1.00 35.79 C ATOM 563 H MET A 61 21.073 0.776 16.438 1.00 0.00 H ATOM 564 N CYS A 62 17.702 2.557 15.557 1.00 7.40 N ATOM 565 CA CYS A 62 16.519 2.860 16.387 1.00 7.86 C ATOM 566 C CYS A 62 15.295 2.249 15.745 1.00 7.28 C ATOM 567 O CYS A 62 15.002 2.556 14.591 1.00 7.84 O ATOM 568 CB CYS A 62 16.283 4.380 16.497 1.00 7.64 C ATOM 569 SG CYS A 62 17.645 5.346 17.163 1.00 11.96 S ATOM 570 H CYS A 62 17.722 2.939 14.590 1.00 0.00 H ATOM 571 N GLN A 63 14.590 1.423 16.495 1.00 6.50 N ATOM 572 CA GLN A 63 13.427 0.678 15.965 1.00 6.95 C ATOM 573 C GLN A 63 12.104 1.108 16.637 1.00 7.28 C ATOM 574 O GLN A 63 12.039 1.245 17.859 1.00 7.96 O ATOM 575 CB GLN A 63 13.643 -0.822 16.170 1.00 6.52 C ATOM 576 CG GLN A 63 12.512 -1.735 15.610 1.00 7.23 C ATOM 577 CD GLN A 63 12.842 -3.183 15.806 1.00 7.36 C ATOM 578 OE1 GLN A 63 13.988 -3.536 16.131 1.00 9.97 O ATOM 579 NE2 GLN A 63 11.880 -4.065 15.566 1.00 8.50 N ATOM 580 HE22 GLN A 63 10.930 -3.738 15.296 1.00 0.00 H ATOM 581 HE21 GLN A 63 12.076 -5.083 15.648 1.00 0.00 H ATOM 582 H GLN A 63 14.861 1.292 17.491 1.00 0.00 H ATOM 583 N GLY A 64 11.059 1.239 15.817 1.00 6.80 N ATOM 584 CA GLY A 64 9.758 1.611 16.341 1.00 8.04 C ATOM 585 C GLY A 64 8.622 1.074 15.481 1.00 8.09 C ATOM 586 O GLY A 64 8.810 0.203 14.659 1.00 8.57 O ATOM 587 H GLY A 64 11.178 1.074 14.797 1.00 0.00 H ATOM 588 N GLY A 65 7.432 1.612 15.745 1.00 9.69 N ATOM 589 CA GLY A 65 6.310 1.333 14.863 1.00 10.42 C ATOM 590 C GLY A 65 5.279 0.346 15.368 1.00 10.38 C ATOM 591 O GLY A 65 4.306 0.071 14.636 1.00 12.10 O ATOM 592 H GLY A 65 7.307 2.226 16.575 1.00 0.00 H ATOM 593 N ASP A 66 5.403 -0.164 16.601 1.00 10.02 N ATOM 594 CA ASP A 66 4.346 -1.071 17.115 1.00 11.57 C ATOM 595 C ASP A 66 3.219 -0.276 17.789 1.00 12.05 C ATOM 596 O ASP A 66 3.280 0.071 18.976 1.00 13.82 O ATOM 597 CB ASP A 66 4.934 -2.071 18.110 1.00 11.82 C ATOM 598 CG ASP A 66 3.882 -3.032 18.672 1.00 14.20 C ATOM 599 OD1 ASP A 66 2.674 -2.846 18.361 1.00 14.16 O ATOM 600 OD2 ASP A 66 4.306 -3.960 19.405 1.00 15.49 O ATOM 601 H ASP A 66 6.228 0.072 17.189 1.00 0.00 H ATOM 602 N PHE A 67 2.175 0.006 17.031 1.00 11.15 N ATOM 603 CA PHE A 67 1.049 0.760 17.541 1.00 14.95 C ATOM 604 C PHE A 67 -0.121 -0.148 17.898 1.00 14.49 C ATOM 605 O PHE A 67 -1.181 0.385 18.228 1.00 15.88 O ATOM 606 CB PHE A 67 0.625 1.814 16.499 1.00 13.68 C ATOM 607 CG PHE A 67 0.219 1.238 15.161 1.00 9.90 C ATOM 608 CD1 PHE A 67 -1.066 0.733 14.982 1.00 12.99 C ATOM 609 CD2 PHE A 67 1.070 1.290 14.041 1.00 10.79 C ATOM 610 CE1 PHE A 67 -1.466 0.232 13.773 1.00 11.40 C ATOM 611 CE2 PHE A 67 0.658 0.804 12.837 1.00 11.27 C ATOM 612 CZ PHE A 67 -0.613 0.269 12.702 1.00 10.88 C ATOM 613 H PHE A 67 2.161 -0.321 16.044 1.00 0.00 H ATOM 614 N THR A 68 0.018 -1.470 17.816 1.00 14.25 N ATOM 615 CA THR A 68 -1.138 -2.340 18.125 1.00 16.40 C ATOM 616 C THR A 68 -0.972 -3.062 19.451 1.00 21.54 C ATOM 617 O THR A 68 -1.973 -3.266 20.159 1.00 26.41 O ATOM 618 CB THR A 68 -1.445 -3.418 17.040 1.00 15.23 C ATOM 619 OG1 THR A 68 -0.381 -4.378 16.939 1.00 15.74 O ATOM 620 CG2 THR A 68 -1.718 -2.807 15.676 1.00 14.40 C ATOM 621 HG1 THR A 68 -0.606 -5.046 16.244 1.00 0.00 H ATOM 622 H THR A 68 0.929 -1.886 17.538 1.00 0.00 H ATOM 623 N ARG A 69 0.248 -3.469 19.797 1.00 16.86 N ATOM 624 CA ARG A 69 0.475 -4.199 21.031 1.00 20.17 C ATOM 625 C ARG A 69 1.341 -3.403 21.974 1.00 28.46 C ATOM 626 O ARG A 69 1.261 -3.600 23.181 1.00 28.99 O ATOM 627 CB ARG A 69 1.101 -5.572 20.736 1.00 18.77 C ATOM 628 CG ARG A 69 0.171 -6.493 19.951 1.00 22.95 C ATOM 629 CD ARG A 69 0.886 -7.719 19.447 1.00 27.77 C ATOM 630 NE ARG A 69 0.114 -8.480 18.464 1.00 37.44 N ATOM 631 CZ ARG A 69 0.589 -9.519 17.779 1.00 44.26 C ATOM 632 NH1 ARG A 69 1.837 -9.934 17.978 1.00 36.98 N ATOM 633 NH2 ARG A 69 -0.184 -10.153 16.897 1.00 52.51 N ATOM 634 HE ARG A 69 -0.870 -8.191 18.289 1.00 0.00 H ATOM 635 HH12 ARG A 69 2.207 -10.745 17.443 1.00 0.00 H ATOM 636 HH11 ARG A 69 2.443 -9.447 18.669 1.00 0.00 H ATOM 637 HH22 ARG A 69 0.191 -10.964 16.365 1.00 0.00 H ATOM 638 HH21 ARG A 69 -1.162 -9.837 16.741 1.00 0.00 H ATOM 639 H ARG A 69 1.052 -3.260 19.172 1.00 0.00 H ATOM 640 N HIS A 70 2.147 -2.487 21.425 1.00 19.48 N ATOM 641 CA HIS A 70 3.066 -1.667 22.225 1.00 22.03 C ATOM 642 C HIS A 70 3.994 -2.527 23.073 1.00 21.45 C ATOM 643 O HIS A 70 4.226 -2.216 24.229 1.00 29.33 O ATOM 644 CB HIS A 70 2.279 -0.700 23.116 1.00 30.36 C ATOM 645 CG HIS A 70 1.354 0.193 22.352 1.00 27.74 C ATOM 646 ND1 HIS A 70 1.782 1.346 21.723 1.00 35.95 N ATOM 647 CD2 HIS A 70 0.030 0.091 22.092 1.00 35.85 C ATOM 648 CE1 HIS A 70 0.757 1.924 21.120 1.00 37.16 C ATOM 649 NE2 HIS A 70 -0.317 1.182 21.328 1.00 32.16 N ATOM 650 H HIS A 70 2.122 -2.351 20.394 1.00 0.00 H ATOM 651 N ASN A 71 4.500 -3.618 22.503 1.00 21.01 N ATOM 652 CA ASN A 71 5.427 -4.489 23.217 1.00 22.72 C ATOM 653 C ASN A 71 6.489 -5.071 22.277 1.00 27.48 C ATOM 654 O ASN A 71 7.149 -6.063 22.602 1.00 23.97 O ATOM 655 CB ASN A 71 4.663 -5.597 23.949 1.00 26.05 C ATOM 656 CG ASN A 71 4.051 -6.636 23.012 1.00 24.21 C ATOM 657 OD1 ASN A 71 4.162 -6.568 21.781 1.00 23.24 O ATOM 658 ND2 ASN A 71 3.412 -7.641 23.608 1.00 30.06 N ATOM 659 HD22 ASN A 71 3.337 -7.667 24.645 1.00 0.00 H ATOM 660 HD21 ASN A 71 2.988 -8.399 23.036 1.00 0.00 H ATOM 661 H ASN A 71 4.229 -3.855 21.527 1.00 0.00 H ATOM 662 N GLY A 72 6.640 -4.476 21.092 1.00 19.86 N ATOM 663 CA GLY A 72 7.630 -4.991 20.145 1.00 19.22 C ATOM 664 C GLY A 72 7.215 -6.110 19.225 1.00 18.56 C ATOM 665 O GLY A 72 7.956 -6.524 18.310 1.00 16.38 O ATOM 666 H GLY A 72 6.058 -3.651 20.843 1.00 0.00 H ATOM 667 N THR A 73 6.007 -6.635 19.433 1.00 17.73 N ATOM 668 CA THR A 73 5.589 -7.740 18.612 1.00 17.22 C ATOM 669 C THR A 73 4.555 -7.320 17.561 1.00 15.47 C ATOM 670 O THR A 73 4.313 -8.069 16.618 1.00 17.79 O ATOM 671 CB THR A 73 5.002 -8.895 19.475 1.00 20.47 C ATOM 672 OG1 THR A 73 3.774 -8.476 20.075 1.00 23.34 O ATOM 673 CG2 THR A 73 5.977 -9.262 20.579 1.00 25.84 C ATOM 674 HG1 THR A 73 3.941 -7.689 20.651 1.00 0.00 H ATOM 675 H THR A 73 5.382 -6.254 20.172 1.00 0.00 H ATOM 676 N GLY A 74 3.964 -6.132 17.694 1.00 12.52 N ATOM 677 CA GLY A 74 2.792 -5.778 16.909 1.00 14.37 C ATOM 678 C GLY A 74 3.000 -4.799 15.773 1.00 13.58 C ATOM 679 O GLY A 74 4.118 -4.656 15.209 1.00 13.24 O ATOM 680 H GLY A 74 4.349 -5.445 18.373 1.00 0.00 H ATOM 681 N GLY A 75 1.902 -4.113 15.444 1.00 13.99 N ATOM 682 CA GLY A 75 1.806 -3.237 14.288 1.00 11.96 C ATOM 683 C GLY A 75 1.186 -3.997 13.126 1.00 11.30 C ATOM 684 O GLY A 75 1.118 -5.224 13.085 1.00 13.20 O ATOM 685 H GLY A 75 1.064 -4.212 16.052 1.00 0.00 H ATOM 686 N LYS A 76 0.688 -3.230 12.176 1.00 10.65 N ATOM 687 CA LYS A 76 0.130 -3.797 10.946 1.00 9.97 C ATOM 688 C LYS A 76 0.290 -2.781 9.838 1.00 10.17 C ATOM 689 O LYS A 76 0.437 -1.556 10.075 1.00 9.29 O ATOM 690 CB LYS A 76 -1.383 -4.158 11.089 1.00 9.92 C ATOM 691 CG LYS A 76 -2.322 -2.959 11.392 1.00 9.94 C ATOM 692 CD LYS A 76 -3.750 -3.478 11.283 1.00 12.85 C ATOM 693 CE LYS A 76 -4.741 -2.323 11.553 1.00 9.95 C ATOM 694 NZ LYS A 76 -6.140 -2.892 11.385 1.00 13.07 N ATOM 695 HZ1 LYS A 76 -6.251 -3.255 10.417 1.00 0.00 H ATOM 696 HZ2 LYS A 76 -6.282 -3.666 12.065 1.00 0.00 H ATOM 697 HZ3 LYS A 76 -6.841 -2.143 11.559 1.00 0.00 H ATOM 698 H LYS A 76 0.691 -2.198 12.303 1.00 0.00 H ATOM 699 N SER A 77 0.250 -3.268 8.611 1.00 10.18 N ATOM 700 CA SER A 77 0.334 -2.430 7.443 1.00 9.79 C ATOM 701 C SER A 77 -1.032 -1.847 7.080 1.00 9.47 C ATOM 702 O SER A 77 -2.051 -2.235 7.676 1.00 10.21 O ATOM 703 CB SER A 77 0.888 -3.217 6.267 1.00 10.03 C ATOM 704 OG SER A 77 -0.096 -4.098 5.698 1.00 11.00 O ATOM 705 HG SER A 77 -0.399 -4.742 6.387 1.00 0.00 H ATOM 706 H SER A 77 0.154 -4.296 8.484 1.00 0.00 H ATOM 707 N ILE A 78 -1.073 -1.020 6.054 1.00 9.14 N ATOM 708 CA ILE A 78 -2.319 -0.523 5.495 1.00 9.13 C ATOM 709 C ILE A 78 -2.927 -1.527 4.528 1.00 10.72 C ATOM 710 O ILE A 78 -3.960 -1.218 3.943 1.00 10.69 O ATOM 711 CB ILE A 78 -2.092 0.821 4.774 1.00 9.97 C ATOM 712 CG1 ILE A 78 -1.157 0.676 3.563 1.00 10.23 C ATOM 713 CG2 ILE A 78 -1.584 1.891 5.782 1.00 11.95 C ATOM 714 CD1 ILE A 78 -1.236 1.851 2.587 1.00 12.89 C ATOM 715 H ILE A 78 -0.177 -0.711 5.627 1.00 0.00 H ATOM 716 N TYR A 79 -2.291 -2.683 4.380 1.00 10.42 N ATOM 717 CA TYR A 79 -2.766 -3.672 3.401 1.00 12.44 C ATOM 718 C TYR A 79 -3.429 -4.881 4.057 1.00 16.42 C ATOM 719 O TYR A 79 -3.510 -5.942 3.442 1.00 21.11 O ATOM 720 CB TYR A 79 -1.600 -4.150 2.507 1.00 12.66 C ATOM 721 CG TYR A 79 -0.861 -2.994 1.857 1.00 10.56 C ATOM 722 CD1 TYR A 79 -1.489 -2.136 0.930 1.00 12.11 C ATOM 723 CD2 TYR A 79 0.466 -2.736 2.163 1.00 12.23 C ATOM 724 CE1 TYR A 79 -0.820 -1.054 0.341 1.00 12.46 C ATOM 725 CE2 TYR A 79 1.160 -1.694 1.552 1.00 12.03 C ATOM 726 CZ TYR A 79 0.536 -0.832 0.653 1.00 11.27 C ATOM 727 OH TYR A 79 1.150 0.244 0.028 1.00 12.32 O ATOM 728 HH TYR A 79 0.497 0.698 -0.561 1.00 0.00 H ATOM 729 H TYR A 79 -1.453 -2.890 4.959 1.00 0.00 H ATOM 730 N GLY A 80 -3.827 -4.738 5.308 1.00 14.77 N ATOM 731 CA GLY A 80 -4.463 -5.830 6.033 1.00 19.64 C ATOM 732 C GLY A 80 -3.632 -6.141 7.269 1.00 24.76 C ATOM 733 O GLY A 80 -3.844 -5.568 8.346 1.00 25.59 O ATOM 734 H GLY A 80 -3.683 -3.826 5.786 1.00 0.00 H ATOM 735 N GLU A 81 -2.699 -7.073 7.133 1.00 23.69 N ATOM 736 CA GLU A 81 -1.795 -7.389 8.244 1.00 22.50 C ATOM 737 C GLU A 81 -0.360 -7.209 7.736 1.00 22.38 C ATOM 738 O GLU A 81 0.180 -6.075 7.819 1.00 19.99 O ATOM 739 CB GLU A 81 -2.044 -8.803 8.793 1.00 29.33 C ATOM 740 CG GLU A 81 -3.154 -8.818 9.858 1.00 43.44 C ATOM 741 CD GLU A 81 -2.751 -8.095 11.138 1.00 59.28 C ATOM 742 OE1 GLU A 81 -1.611 -8.290 11.605 1.00 71.21 O ATOM 743 OE2 GLU A 81 -3.563 -7.318 11.672 1.00 48.08 O ATOM 744 H GLU A 81 -2.607 -7.584 6.232 1.00 0.00 H ATOM 745 N LYS A 82 0.220 -8.258 7.139 1.00 17.73 N ATOM 746 CA LYS A 82 1.597 -8.203 6.617 1.00 14.41 C ATOM 747 C LYS A 82 1.594 -8.114 5.088 1.00 16.34 C ATOM 748 O LYS A 82 0.558 -8.404 4.437 1.00 18.76 O ATOM 749 CB LYS A 82 2.443 -9.403 7.086 1.00 14.50 C ATOM 750 CG LYS A 82 2.542 -9.534 8.614 1.00 17.60 C ATOM 751 CD LYS A 82 3.048 -8.235 9.331 1.00 15.87 C ATOM 752 CE LYS A 82 3.446 -8.445 10.783 1.00 21.35 C ATOM 753 NZ LYS A 82 2.465 -9.185 11.609 1.00 27.68 N ATOM 754 HZ1 LYS A 82 1.564 -8.667 11.622 1.00 0.00 H ATOM 755 HZ2 LYS A 82 2.316 -10.131 11.204 1.00 0.00 H ATOM 756 HZ3 LYS A 82 2.829 -9.275 12.579 1.00 0.00 H ATOM 757 H LYS A 82 -0.320 -9.142 7.040 1.00 0.00 H ATOM 758 N PHE A 83 2.722 -7.688 4.501 1.00 12.23 N ATOM 759 CA PHE A 83 2.890 -7.692 3.066 1.00 11.35 C ATOM 760 C PHE A 83 4.281 -8.111 2.673 1.00 13.56 C ATOM 761 O PHE A 83 5.227 -8.183 3.505 1.00 11.23 O ATOM 762 CB PHE A 83 2.478 -6.316 2.431 1.00 11.89 C ATOM 763 CG PHE A 83 3.347 -5.140 2.797 1.00 11.65 C ATOM 764 CD1 PHE A 83 3.189 -4.540 4.032 1.00 12.48 C ATOM 765 CD2 PHE A 83 4.231 -4.589 1.870 1.00 13.95 C ATOM 766 CE1 PHE A 83 3.950 -3.419 4.380 1.00 9.01 C ATOM 767 CE2 PHE A 83 4.976 -3.433 2.192 1.00 10.97 C ATOM 768 CZ PHE A 83 4.851 -2.879 3.461 1.00 10.47 C ATOM 769 H PHE A 83 3.501 -7.344 5.098 1.00 0.00 H ATOM 770 N GLU A 84 4.388 -8.529 1.411 1.00 15.06 N ATOM 771 CA GLU A 84 5.616 -9.100 0.876 1.00 14.86 C ATOM 772 C GLU A 84 6.760 -8.083 0.785 1.00 13.37 C ATOM 773 O GLU A 84 6.560 -6.872 0.721 1.00 14.41 O ATOM 774 CB GLU A 84 5.322 -9.687 -0.512 1.00 19.32 C ATOM 775 CG GLU A 84 5.038 -8.673 -1.570 1.00 23.78 C ATOM 776 CD GLU A 84 3.590 -8.054 -1.517 1.00 48.27 C ATOM 777 OE1 GLU A 84 2.725 -8.422 -0.651 1.00 35.71 O ATOM 778 OE2 GLU A 84 3.336 -7.141 -2.354 1.00 43.63 O ATOM 779 H GLU A 84 3.562 -8.444 0.785 1.00 0.00 H ATOM 780 N ASP A 85 7.968 -8.612 0.853 1.00 11.62 N ATOM 781 CA ASP A 85 9.164 -7.816 0.546 1.00 12.75 C ATOM 782 C ASP A 85 9.079 -7.324 -0.881 1.00 14.99 C ATOM 783 O ASP A 85 9.054 -8.133 -1.827 1.00 15.05 O ATOM 784 CB ASP A 85 10.427 -8.655 0.772 1.00 11.67 C ATOM 785 CG ASP A 85 10.579 -9.123 2.199 1.00 13.55 C ATOM 786 OD1 ASP A 85 10.424 -8.288 3.115 1.00 12.57 O ATOM 787 OD2 ASP A 85 10.909 -10.311 2.434 1.00 13.86 O ATOM 788 H ASP A 85 8.075 -9.609 1.129 1.00 0.00 H ATOM 789 N GLU A 86 9.016 -6.001 -1.066 1.00 12.90 N ATOM 790 CA GLU A 86 8.751 -5.437 -2.392 1.00 12.57 C ATOM 791 C GLU A 86 9.951 -5.644 -3.350 1.00 15.38 C ATOM 792 O GLU A 86 9.782 -6.173 -4.466 1.00 16.15 O ATOM 793 CB GLU A 86 8.378 -3.968 -2.253 1.00 12.92 C ATOM 794 CG GLU A 86 7.931 -3.333 -3.534 1.00 13.84 C ATOM 795 CD GLU A 86 7.361 -1.946 -3.313 1.00 13.73 C ATOM 796 OE1 GLU A 86 7.484 -1.391 -2.167 1.00 13.37 O ATOM 797 OE2 GLU A 86 6.759 -1.408 -4.268 1.00 13.98 O ATOM 798 H GLU A 86 9.157 -5.363 -0.257 1.00 0.00 H ATOM 799 N ASN A 87 11.143 -5.280 -2.890 1.00 12.58 N ATOM 800 CA ASN A 87 12.379 -5.592 -3.582 1.00 13.10 C ATOM 801 C ASN A 87 13.492 -5.243 -2.619 1.00 13.30 C ATOM 802 O ASN A 87 13.221 -4.682 -1.571 1.00 12.93 O ATOM 803 CB ASN A 87 12.542 -4.835 -4.894 1.00 13.37 C ATOM 804 CG ASN A 87 12.560 -3.343 -4.692 1.00 14.80 C ATOM 805 OD1 ASN A 87 13.468 -2.819 -4.053 1.00 13.52 O ATOM 806 ND2 ASN A 87 11.568 -2.651 -5.214 1.00 15.30 N ATOM 807 HD22 ASN A 87 10.820 -3.137 -5.748 1.00 0.00 H ATOM 808 HD21 ASN A 87 11.533 -1.619 -5.092 1.00 0.00 H ATOM 809 H ASN A 87 11.192 -4.749 -1.997 1.00 0.00 H ATOM 810 N PHE A 88 14.724 -5.592 -2.982 1.00 12.98 N ATOM 811 CA PHE A 88 15.896 -5.276 -2.182 1.00 13.61 C ATOM 812 C PHE A 88 16.848 -4.448 -3.007 1.00 13.13 C ATOM 813 O PHE A 88 18.061 -4.579 -2.917 1.00 15.17 O ATOM 814 CB PHE A 88 16.539 -6.564 -1.685 1.00 14.57 C ATOM 815 CG PHE A 88 15.640 -7.349 -0.759 1.00 11.39 C ATOM 816 CD1 PHE A 88 15.338 -6.853 0.523 1.00 10.81 C ATOM 817 CD2 PHE A 88 15.094 -8.585 -1.130 1.00 14.10 C ATOM 818 CE1 PHE A 88 14.534 -7.525 1.391 1.00 11.66 C ATOM 819 CE2 PHE A 88 14.331 -9.286 -0.249 1.00 13.08 C ATOM 820 CZ PHE A 88 14.033 -8.763 1.014 1.00 13.25 C ATOM 821 H PHE A 88 14.853 -6.112 -3.874 1.00 0.00 H ATOM 822 N ILE A 89 16.299 -3.559 -3.829 1.00 12.33 N ATOM 823 CA ILE A 89 17.150 -2.718 -4.666 1.00 13.46 C ATOM 824 C ILE A 89 18.076 -1.882 -3.808 1.00 15.10 C ATOM 825 O ILE A 89 19.274 -1.785 -4.064 1.00 15.76 O ATOM 826 CB ILE A 89 16.305 -1.787 -5.548 1.00 17.57 C ATOM 827 CG1 ILE A 89 15.529 -2.608 -6.581 1.00 20.44 C ATOM 828 CG2 ILE A 89 17.164 -0.713 -6.192 1.00 22.44 C ATOM 829 CD1 ILE A 89 14.476 -1.784 -7.306 1.00 20.59 C ATOM 830 H ILE A 89 15.265 -3.463 -3.876 1.00 0.00 H ATOM 831 N LEU A 90 17.520 -1.237 -2.800 1.00 14.01 N ATOM 832 CA LEU A 90 18.346 -0.355 -1.976 1.00 12.77 C ATOM 833 C LEU A 90 19.024 -1.032 -0.804 1.00 12.25 C ATOM 834 O LEU A 90 18.511 -1.995 -0.242 1.00 11.83 O ATOM 835 CB LEU A 90 17.489 0.792 -1.448 1.00 11.60 C ATOM 836 CG LEU A 90 16.887 1.626 -2.574 1.00 14.70 C ATOM 837 CD1 LEU A 90 15.922 2.640 -1.993 1.00 17.78 C ATOM 838 CD2 LEU A 90 17.986 2.321 -3.379 1.00 17.65 C ATOM 839 H LEU A 90 16.507 -1.354 -2.594 1.00 0.00 H ATOM 840 N LYS A 91 20.176 -0.514 -0.417 1.00 12.46 N ATOM 841 CA LYS A 91 20.995 -1.177 0.605 1.00 11.39 C ATOM 842 C LYS A 91 21.138 -0.332 1.856 1.00 11.16 C ATOM 843 O LYS A 91 20.840 0.881 1.852 1.00 9.94 O ATOM 844 CB LYS A 91 22.375 -1.511 0.018 1.00 12.57 C ATOM 845 CG LYS A 91 22.300 -2.558 -1.111 1.00 18.80 C ATOM 846 CD LYS A 91 23.690 -2.878 -1.643 1.00 24.13 C ATOM 847 CE LYS A 91 23.654 -4.009 -2.657 1.00 40.39 C ATOM 848 NZ LYS A 91 25.051 -4.331 -3.100 1.00 48.12 N ATOM 849 HZ1 LYS A 91 25.478 -3.489 -3.535 1.00 0.00 H ATOM 850 HZ2 LYS A 91 25.616 -4.622 -2.277 1.00 0.00 H ATOM 851 HZ3 LYS A 91 25.024 -5.105 -3.794 1.00 0.00 H ATOM 852 H LYS A 91 20.507 0.376 -0.842 1.00 0.00 H ATOM 853 N HIS A 92 21.603 -0.991 2.920 1.00 10.16 N ATOM 854 CA HIS A 92 21.797 -0.338 4.209 1.00 11.07 C ATOM 855 C HIS A 92 23.183 0.292 4.197 1.00 9.87 C ATOM 856 O HIS A 92 24.148 -0.282 4.743 1.00 11.98 O ATOM 857 CB HIS A 92 21.625 -1.339 5.385 1.00 8.61 C ATOM 858 CG HIS A 92 20.260 -1.989 5.472 1.00 8.90 C ATOM 859 ND1 HIS A 92 19.905 -3.053 4.667 1.00 8.50 N ATOM 860 CD2 HIS A 92 19.167 -1.703 6.227 1.00 7.54 C ATOM 861 CE1 HIS A 92 18.654 -3.416 4.956 1.00 8.60 C ATOM 862 NE2 HIS A 92 18.184 -2.610 5.896 1.00 8.78 N ATOM 863 H HIS A 92 21.834 -2.001 2.826 1.00 0.00 H ATOM 864 N THR A 93 23.284 1.472 3.582 1.00 10.93 N ATOM 865 CA THR A 93 24.611 1.995 3.193 1.00 11.25 C ATOM 866 C THR A 93 25.279 2.883 4.234 1.00 12.22 C ATOM 867 O THR A 93 26.486 3.143 4.138 1.00 13.47 O ATOM 868 CB THR A 93 24.501 2.814 1.903 1.00 12.40 C ATOM 869 OG1 THR A 93 23.427 3.743 2.076 1.00 13.97 O ATOM 870 CG2 THR A 93 24.168 1.947 0.698 1.00 14.87 C ATOM 871 HG1 THR A 93 23.330 4.290 1.256 1.00 0.00 H ATOM 872 H THR A 93 22.428 2.025 3.376 1.00 0.00 H ATOM 873 N GLY A 94 24.539 3.340 5.230 1.00 9.60 N ATOM 874 CA GLY A 94 25.107 4.280 6.187 1.00 10.21 C ATOM 875 C GLY A 94 24.043 4.886 7.093 1.00 9.69 C ATOM 876 O GLY A 94 22.839 4.530 7.059 1.00 9.93 O ATOM 877 H GLY A 94 23.552 3.028 5.330 1.00 0.00 H ATOM 878 N PRO A 95 24.465 5.792 7.953 1.00 9.40 N ATOM 879 CA PRO A 95 23.538 6.471 8.856 1.00 8.56 C ATOM 880 C PRO A 95 22.370 7.124 8.131 1.00 10.57 C ATOM 881 O PRO A 95 22.555 7.705 7.070 1.00 9.84 O ATOM 882 CB PRO A 95 24.416 7.570 9.496 1.00 10.50 C ATOM 883 CG PRO A 95 25.856 6.995 9.351 1.00 9.87 C ATOM 884 CD PRO A 95 25.842 6.325 8.018 1.00 10.36 C ATOM 885 N GLY A 96 21.197 7.040 8.740 1.00 8.63 N ATOM 886 CA GLY A 96 20.008 7.702 8.205 1.00 7.48 C ATOM 887 C GLY A 96 19.101 6.808 7.376 1.00 7.41 C ATOM 888 O GLY A 96 17.966 7.194 7.097 1.00 8.64 O ATOM 889 H GLY A 96 21.120 6.490 9.619 1.00 0.00 H ATOM 890 N ILE A 97 19.551 5.631 6.993 1.00 8.20 N ATOM 891 CA ILE A 97 18.745 4.714 6.161 1.00 7.60 C ATOM 892 C ILE A 97 17.509 4.261 6.963 1.00 7.06 C ATOM 893 O ILE A 97 17.597 3.882 8.135 1.00 8.04 O ATOM 894 CB ILE A 97 19.576 3.523 5.711 1.00 7.32 C ATOM 895 CG1 ILE A 97 20.586 3.986 4.646 1.00 12.50 C ATOM 896 CG2 ILE A 97 18.670 2.358 5.262 1.00 11.03 C ATOM 897 CD1 ILE A 97 19.988 4.318 3.296 1.00 15.31 C ATOM 898 H ILE A 97 20.505 5.338 7.286 1.00 0.00 H ATOM 899 N LEU A 98 16.342 4.295 6.288 1.00 7.68 N ATOM 900 CA LEU A 98 15.051 3.884 6.858 1.00 7.01 C ATOM 901 C LEU A 98 14.642 2.555 6.201 1.00 7.62 C ATOM 902 O LEU A 98 14.597 2.459 4.988 1.00 8.04 O ATOM 903 CB LEU A 98 13.994 4.970 6.573 1.00 6.82 C ATOM 904 CG LEU A 98 12.584 4.671 7.043 1.00 7.08 C ATOM 905 CD1 LEU A 98 12.500 4.557 8.541 1.00 8.41 C ATOM 906 CD2 LEU A 98 11.739 5.826 6.546 1.00 7.88 C ATOM 907 H LEU A 98 16.356 4.633 5.304 1.00 0.00 H ATOM 908 N SER A 99 14.357 1.536 7.005 1.00 6.86 N ATOM 909 CA SER A 99 14.192 0.174 6.524 1.00 6.71 C ATOM 910 C SER A 99 13.086 -0.550 7.312 1.00 6.78 C ATOM 911 O SER A 99 12.734 -0.161 8.441 1.00 7.40 O ATOM 912 CB SER A 99 15.532 -0.540 6.624 1.00 7.22 C ATOM 913 OG SER A 99 15.411 -1.876 6.142 1.00 7.65 O ATOM 914 HG SER A 99 16.287 -2.331 6.211 1.00 0.00 H ATOM 915 H SER A 99 14.247 1.721 8.023 1.00 0.00 H ATOM 916 N MET A 100 12.494 -1.567 6.698 1.00 7.71 N ATOM 917 CA MET A 100 11.418 -2.343 7.375 1.00 6.81 C ATOM 918 C MET A 100 11.924 -3.393 8.322 1.00 6.88 C ATOM 919 O MET A 100 12.780 -4.207 7.947 1.00 7.94 O ATOM 920 CB MET A 100 10.504 -3.004 6.321 1.00 7.77 C ATOM 921 CG MET A 100 9.669 -1.999 5.561 1.00 9.22 C ATOM 922 SD MET A 100 8.609 -0.941 6.573 1.00 11.10 S ATOM 923 CE MET A 100 7.324 -2.109 7.063 1.00 10.83 C ATOM 924 H MET A 100 12.785 -1.825 5.733 1.00 0.00 H ATOM 925 N ALA A 101 11.416 -3.364 9.548 1.00 6.57 N ATOM 926 CA ALA A 101 11.643 -4.454 10.502 1.00 7.12 C ATOM 927 C ALA A 101 10.808 -5.662 10.078 1.00 7.80 C ATOM 928 O ALA A 101 9.808 -5.501 9.383 1.00 8.11 O ATOM 929 CB ALA A 101 11.278 -4.010 11.928 1.00 7.91 C ATOM 930 H ALA A 101 10.842 -2.547 9.839 1.00 0.00 H ATOM 931 N ASN A 102 11.214 -6.874 10.454 1.00 7.85 N ATOM 932 CA ASN A 102 10.386 -8.020 10.086 1.00 9.33 C ATOM 933 C ASN A 102 10.780 -9.240 10.904 1.00 10.60 C ATOM 934 O ASN A 102 11.719 -9.226 11.692 1.00 9.51 O ATOM 935 CB ASN A 102 10.488 -8.323 8.570 1.00 9.14 C ATOM 936 CG ASN A 102 11.876 -8.757 8.134 1.00 8.63 C ATOM 937 OD1 ASN A 102 12.460 -9.684 8.712 1.00 10.48 O ATOM 938 ND2 ASN A 102 12.399 -8.136 7.079 1.00 9.99 N ATOM 939 HD22 ASN A 102 11.878 -7.362 6.620 1.00 0.00 H ATOM 940 HD21 ASN A 102 13.329 -8.425 6.713 1.00 0.00 H ATOM 941 H ASN A 102 12.094 -7.000 10.993 1.00 0.00 H ATOM 942 N ALA A 103 10.008 -10.305 10.709 1.00 9.99 N ATOM 943 CA ALA A 103 10.208 -11.557 11.427 1.00 12.21 C ATOM 944 C ALA A 103 10.497 -12.636 10.403 1.00 14.02 C ATOM 945 O ALA A 103 10.113 -13.809 10.615 1.00 17.35 O ATOM 946 CB ALA A 103 8.962 -11.884 12.253 1.00 11.63 C ATOM 947 H ALA A 103 9.233 -10.242 10.019 1.00 0.00 H ATOM 948 N GLY A 104 11.200 -12.296 9.330 1.00 12.19 N ATOM 949 CA GLY A 104 11.575 -13.222 8.273 1.00 13.69 C ATOM 950 C GLY A 104 10.948 -12.752 6.960 1.00 14.53 C ATOM 951 O GLY A 104 10.320 -11.692 6.911 1.00 12.06 O ATOM 952 H GLY A 104 11.502 -11.305 9.239 1.00 0.00 H ATOM 953 N PRO A 105 11.046 -13.562 5.901 1.00 12.36 N ATOM 954 CA PRO A 105 10.566 -13.109 4.587 1.00 11.54 C ATOM 955 C PRO A 105 9.089 -12.826 4.549 1.00 12.25 C ATOM 956 O PRO A 105 8.254 -13.526 5.131 1.00 12.68 O ATOM 957 CB PRO A 105 10.917 -14.283 3.667 1.00 16.14 C ATOM 958 CG PRO A 105 12.163 -14.893 4.371 1.00 16.31 C ATOM 959 CD PRO A 105 11.806 -14.832 5.827 1.00 15.32 C ATOM 960 N ASN A 106 8.772 -11.774 3.809 1.00 11.24 N ATOM 961 CA ASN A 106 7.382 -11.387 3.566 1.00 12.28 C ATOM 962 C ASN A 106 6.543 -11.194 4.825 1.00 12.81 C ATOM 963 O ASN A 106 5.395 -11.607 4.889 1.00 13.76 O ATOM 964 CB ASN A 106 6.767 -12.431 2.609 1.00 12.72 C ATOM 965 CG ASN A 106 7.571 -12.526 1.326 1.00 15.25 C ATOM 966 OD1 ASN A 106 7.984 -11.516 0.730 1.00 14.16 O ATOM 967 ND2 ASN A 106 7.882 -13.768 0.906 1.00 17.14 N ATOM 968 HD22 ASN A 106 7.524 -14.597 1.422 1.00 0.00 H ATOM 969 HD21 ASN A 106 8.480 -13.898 0.065 1.00 0.00 H ATOM 970 H ASN A 106 9.534 -11.206 3.388 1.00 0.00 H ATOM 971 N THR A 107 7.091 -10.487 5.824 1.00 11.52 N ATOM 972 CA THR A 107 6.324 -10.217 7.042 1.00 10.55 C ATOM 973 C THR A 107 6.373 -8.715 7.398 1.00 10.17 C ATOM 974 O THR A 107 6.372 -8.359 8.563 1.00 12.09 O ATOM 975 CB THR A 107 6.831 -11.031 8.244 1.00 10.40 C ATOM 976 OG1 THR A 107 8.238 -10.765 8.479 1.00 11.17 O ATOM 977 CG2 THR A 107 6.665 -12.573 7.984 1.00 12.11 C ATOM 978 HG1 THR A 107 8.759 -11.017 7.676 1.00 0.00 H ATOM 979 H THR A 107 8.063 -10.129 5.734 1.00 0.00 H ATOM 980 N ASN A 108 6.372 -7.862 6.391 1.00 9.87 N ATOM 981 CA ASN A 108 6.325 -6.402 6.629 1.00 10.26 C ATOM 982 C ASN A 108 4.988 -5.949 7.213 1.00 10.09 C ATOM 983 O ASN A 108 3.912 -6.305 6.676 1.00 10.32 O ATOM 984 CB ASN A 108 6.583 -5.655 5.346 1.00 9.41 C ATOM 985 CG ASN A 108 7.927 -5.968 4.800 1.00 13.01 C ATOM 986 OD1 ASN A 108 8.939 -5.573 5.368 1.00 10.65 O ATOM 987 ND2 ASN A 108 7.975 -6.777 3.767 1.00 10.57 N ATOM 988 HD22 ASN A 108 7.095 -7.091 3.311 1.00 0.00 H ATOM 989 HD21 ASN A 108 8.893 -7.104 3.405 1.00 0.00 H ATOM 990 H ASN A 108 6.405 -8.221 5.416 1.00 0.00 H ATOM 991 N GLY A 109 5.023 -5.197 8.307 1.00 8.70 N ATOM 992 CA GLY A 109 3.802 -4.675 8.888 1.00 9.60 C ATOM 993 C GLY A 109 3.937 -3.166 8.970 1.00 7.87 C ATOM 994 O GLY A 109 3.876 -2.450 7.964 1.00 8.79 O ATOM 995 H GLY A 109 5.937 -4.980 8.752 1.00 0.00 H ATOM 996 N SER A 110 4.109 -2.664 10.188 1.00 8.28 N ATOM 997 CA SER A 110 4.403 -1.235 10.385 1.00 8.01 C ATOM 998 C SER A 110 5.768 -0.988 11.031 1.00 7.86 C ATOM 999 O SER A 110 6.254 0.133 10.949 1.00 8.28 O ATOM 1000 CB SER A 110 3.338 -0.572 11.262 1.00 9.45 C ATOM 1001 OG SER A 110 3.271 -1.213 12.554 1.00 9.26 O ATOM 1002 HG SER A 110 4.150 -1.138 13.004 1.00 0.00 H ATOM 1003 H SER A 110 4.035 -3.290 11.015 1.00 0.00 H ATOM 1004 N GLN A 111 6.376 -1.945 11.699 1.00 8.39 N ATOM 1005 CA GLN A 111 7.636 -1.676 12.383 1.00 7.80 C ATOM 1006 C GLN A 111 8.746 -1.395 11.389 1.00 6.27 C ATOM 1007 O GLN A 111 8.814 -1.925 10.311 1.00 7.33 O ATOM 1008 CB GLN A 111 8.031 -2.829 13.287 1.00 6.93 C ATOM 1009 CG GLN A 111 7.172 -2.896 14.525 1.00 8.33 C ATOM 1010 CD GLN A 111 7.742 -3.894 15.512 1.00 10.20 C ATOM 1011 OE1 GLN A 111 8.956 -3.895 15.776 1.00 10.29 O ATOM 1012 NE2 GLN A 111 6.903 -4.774 16.052 1.00 12.24 N ATOM 1013 HE22 GLN A 111 5.892 -4.745 15.809 1.00 0.00 H ATOM 1014 HE21 GLN A 111 7.258 -5.491 16.717 1.00 0.00 H ATOM 1015 H GLN A 111 5.957 -2.896 11.739 1.00 0.00 H ATOM 1016 N PHE A 112 9.608 -0.449 11.781 1.00 6.03 N ATOM 1017 CA PHE A 112 10.660 0.093 10.939 1.00 6.78 C ATOM 1018 C PHE A 112 11.878 0.359 11.809 1.00 6.28 C ATOM 1019 O PHE A 112 11.790 0.382 13.050 1.00 6.82 O ATOM 1020 CB PHE A 112 10.195 1.399 10.275 1.00 6.34 C ATOM 1021 CG PHE A 112 9.907 2.435 11.290 1.00 6.70 C ATOM 1022 CD1 PHE A 112 10.956 3.269 11.725 1.00 6.81 C ATOM 1023 CD2 PHE A 112 8.640 2.572 11.889 1.00 8.00 C ATOM 1024 CE1 PHE A 112 10.767 4.173 12.750 1.00 7.44 C ATOM 1025 CE2 PHE A 112 8.472 3.507 12.907 1.00 7.94 C ATOM 1026 CZ PHE A 112 9.540 4.302 13.344 1.00 7.94 C ATOM 1027 H PHE A 112 9.519 -0.079 12.749 1.00 0.00 H ATOM 1028 N PHE A 113 13.003 0.648 11.174 1.00 6.54 N ATOM 1029 CA PHE A 113 14.164 1.090 11.942 1.00 5.01 C ATOM 1030 C PHE A 113 14.955 2.108 11.142 1.00 7.27 C ATOM 1031 O PHE A 113 14.923 2.162 9.907 1.00 7.06 O ATOM 1032 CB PHE A 113 15.074 -0.103 12.360 1.00 6.67 C ATOM 1033 CG PHE A 113 15.643 -0.918 11.239 1.00 6.31 C ATOM 1034 CD1 PHE A 113 14.868 -1.874 10.619 1.00 5.98 C ATOM 1035 CD2 PHE A 113 16.985 -0.768 10.819 1.00 7.50 C ATOM 1036 CE1 PHE A 113 15.398 -2.673 9.587 1.00 7.97 C ATOM 1037 CE2 PHE A 113 17.517 -1.560 9.835 1.00 8.03 C ATOM 1038 CZ PHE A 113 16.708 -2.535 9.224 1.00 7.64 C ATOM 1039 H PHE A 113 13.060 0.561 10.139 1.00 0.00 H ATOM 1040 N ILE A 114 15.624 2.967 11.913 1.00 6.34 N ATOM 1041 CA ILE A 114 16.485 4.025 11.368 1.00 6.64 C ATOM 1042 C ILE A 114 17.931 3.614 11.688 1.00 7.12 C ATOM 1043 O ILE A 114 18.287 3.506 12.882 1.00 7.51 O ATOM 1044 CB ILE A 114 16.178 5.381 11.987 1.00 6.34 C ATOM 1045 CG1 ILE A 114 14.684 5.728 11.843 1.00 8.30 C ATOM 1046 CG2 ILE A 114 17.084 6.428 11.318 1.00 7.45 C ATOM 1047 CD1 ILE A 114 14.328 6.924 12.692 1.00 11.66 C ATOM 1048 H ILE A 114 15.532 2.884 12.946 1.00 0.00 H ATOM 1049 N CYS A 115 18.735 3.376 10.682 1.00 7.96 N ATOM 1050 CA CYS A 115 20.124 3.004 10.914 1.00 8.25 C ATOM 1051 C CYS A 115 20.969 4.167 11.373 1.00 7.66 C ATOM 1052 O CYS A 115 20.793 5.293 10.878 1.00 9.18 O ATOM 1053 CB CYS A 115 20.707 2.484 9.623 1.00 8.37 C ATOM 1054 SG CYS A 115 19.943 1.001 9.043 1.00 12.43 S ATOM 1055 H CYS A 115 18.378 3.453 9.708 1.00 0.00 H ATOM 1056 N THR A 116 21.892 3.917 12.300 1.00 8.40 N ATOM 1057 CA THR A 116 22.844 4.960 12.603 1.00 9.22 C ATOM 1058 C THR A 116 24.233 4.593 12.115 1.00 10.05 C ATOM 1059 O THR A 116 25.230 5.296 12.447 1.00 11.02 O ATOM 1060 CB THR A 116 22.842 5.314 14.087 1.00 11.96 C ATOM 1061 OG1 THR A 116 23.085 4.137 14.861 1.00 15.07 O ATOM 1062 CG2 THR A 116 21.461 5.835 14.488 1.00 13.10 C ATOM 1063 HG1 THR A 116 23.083 4.370 15.823 1.00 0.00 H ATOM 1064 H THR A 116 21.926 3.000 12.790 1.00 0.00 H ATOM 1065 N ALA A 117 24.341 3.526 11.337 1.00 8.02 N ATOM 1066 CA ALA A 117 25.603 3.062 10.752 1.00 10.52 C ATOM 1067 C ALA A 117 25.270 2.210 9.536 1.00 9.19 C ATOM 1068 O ALA A 117 24.106 1.811 9.353 1.00 9.43 O ATOM 1069 CB ALA A 117 26.411 2.233 11.800 1.00 10.77 C ATOM 1070 H ALA A 117 23.478 2.984 11.128 1.00 0.00 H ATOM 1071 N LYS A 118 26.271 1.963 8.692 1.00 8.27 N ATOM 1072 CA LYS A 118 26.180 0.965 7.634 1.00 9.96 C ATOM 1073 C LYS A 118 25.952 -0.426 8.208 1.00 10.01 C ATOM 1074 O LYS A 118 26.735 -0.886 9.041 1.00 9.08 O ATOM 1075 CB LYS A 118 27.475 0.993 6.791 1.00 9.79 C ATOM 1076 CG LYS A 118 27.543 -0.082 5.744 1.00 9.38 C ATOM 1077 CD LYS A 118 28.809 0.113 4.883 1.00 9.85 C ATOM 1078 CE LYS A 118 29.039 -1.052 3.920 1.00 12.39 C ATOM 1079 NZ LYS A 118 29.651 -2.250 4.543 1.00 12.72 N ATOM 1080 HZ1 LYS A 118 30.578 -1.997 4.941 1.00 0.00 H ATOM 1081 HZ2 LYS A 118 29.031 -2.600 5.301 1.00 0.00 H ATOM 1082 HZ3 LYS A 118 29.772 -2.990 3.823 1.00 0.00 H ATOM 1083 H LYS A 118 27.153 2.505 8.792 1.00 0.00 H ATOM 1084 N THR A 119 24.856 -1.087 7.799 1.00 8.32 N ATOM 1085 CA THR A 119 24.515 -2.392 8.345 1.00 9.55 C ATOM 1086 C THR A 119 24.298 -3.378 7.199 1.00 9.20 C ATOM 1087 O THR A 119 23.163 -3.910 6.974 1.00 7.99 O ATOM 1088 CB THR A 119 23.278 -2.301 9.262 1.00 8.86 C ATOM 1089 OG1 THR A 119 22.141 -1.784 8.544 1.00 9.83 O ATOM 1090 CG2 THR A 119 23.507 -1.397 10.492 1.00 9.99 C ATOM 1091 HG1 THR A 119 21.931 -2.384 7.785 1.00 0.00 H ATOM 1092 H THR A 119 24.240 -0.658 7.079 1.00 0.00 H ATOM 1093 N GLU A 120 25.364 -3.703 6.495 1.00 8.67 N ATOM 1094 CA GLU A 120 25.204 -4.464 5.236 1.00 8.54 C ATOM 1095 C GLU A 120 24.744 -5.900 5.433 1.00 9.73 C ATOM 1096 O GLU A 120 24.246 -6.496 4.481 1.00 9.61 O ATOM 1097 CB GLU A 120 26.527 -4.434 4.437 1.00 10.57 C ATOM 1098 CG GLU A 120 27.620 -5.334 5.036 1.00 11.82 C ATOM 1099 CD GLU A 120 28.177 -4.825 6.357 1.00 12.38 C ATOM 1100 OE1 GLU A 120 28.177 -3.587 6.569 1.00 11.28 O ATOM 1101 OE2 GLU A 120 28.625 -5.661 7.156 1.00 13.19 O ATOM 1102 H GLU A 120 26.312 -3.426 6.822 1.00 0.00 H ATOM 1103 N TRP A 121 24.881 -6.484 6.620 1.00 9.11 N ATOM 1104 CA TRP A 121 24.395 -7.846 6.870 1.00 9.18 C ATOM 1105 C TRP A 121 22.863 -7.914 6.857 1.00 10.75 C ATOM 1106 O TRP A 121 22.311 -9.019 6.794 1.00 11.54 O ATOM 1107 CB TRP A 121 24.946 -8.348 8.202 1.00 10.27 C ATOM 1108 CG TRP A 121 24.521 -7.576 9.414 1.00 10.21 C ATOM 1109 CD1 TRP A 121 23.501 -7.896 10.243 1.00 11.26 C ATOM 1110 CD2 TRP A 121 25.139 -6.408 9.950 1.00 10.02 C ATOM 1111 NE1 TRP A 121 23.421 -6.998 11.277 1.00 11.67 N ATOM 1112 CE2 TRP A 121 24.414 -6.051 11.122 1.00 10.91 C ATOM 1113 CE3 TRP A 121 26.251 -5.640 9.573 1.00 10.12 C ATOM 1114 CZ2 TRP A 121 24.758 -4.939 11.930 1.00 11.19 C ATOM 1115 CZ3 TRP A 121 26.589 -4.547 10.389 1.00 10.90 C ATOM 1116 CH2 TRP A 121 25.833 -4.202 11.528 1.00 12.12 C ATOM 1117 HE1 TRP A 121 22.726 -7.026 12.051 1.00 0.00 H ATOM 1118 H TRP A 121 25.344 -5.962 7.391 1.00 0.00 H ATOM 1119 N LEU A 122 22.199 -6.753 6.849 1.00 9.04 N ATOM 1120 CA LEU A 122 20.738 -6.713 6.705 1.00 9.62 C ATOM 1121 C LEU A 122 20.287 -6.603 5.242 1.00 10.01 C ATOM 1122 O LEU A 122 19.057 -6.722 4.937 1.00 9.83 O ATOM 1123 CB LEU A 122 20.144 -5.551 7.525 1.00 8.42 C ATOM 1124 CG LEU A 122 20.513 -5.594 9.014 1.00 9.63 C ATOM 1125 CD1 LEU A 122 19.869 -4.451 9.778 1.00 8.40 C ATOM 1126 CD2 LEU A 122 20.129 -6.941 9.696 1.00 10.22 C ATOM 1127 H LEU A 122 22.727 -5.862 6.947 1.00 0.00 H ATOM 1128 N ASP A 123 21.238 -6.371 4.328 1.00 9.90 N ATOM 1129 CA ASP A 123 20.916 -6.209 2.885 1.00 10.03 C ATOM 1130 C ASP A 123 20.300 -7.528 2.403 1.00 11.77 C ATOM 1131 O ASP A 123 20.792 -8.624 2.706 1.00 12.55 O ATOM 1132 CB ASP A 123 22.149 -5.898 2.044 1.00 11.07 C ATOM 1133 CG ASP A 123 22.725 -4.551 2.332 1.00 12.38 C ATOM 1134 OD1 ASP A 123 22.021 -3.730 2.959 1.00 10.56 O ATOM 1135 OD2 ASP A 123 23.858 -4.237 1.913 1.00 13.09 O ATOM 1136 H ASP A 123 22.229 -6.302 4.636 1.00 0.00 H ATOM 1137 N GLY A 124 19.230 -7.406 1.626 1.00 10.76 N ATOM 1138 CA GLY A 124 18.494 -8.550 1.086 1.00 11.82 C ATOM 1139 C GLY A 124 17.579 -9.238 2.071 1.00 12.98 C ATOM 1140 O GLY A 124 16.948 -10.247 1.753 1.00 13.24 O ATOM 1141 H GLY A 124 18.898 -6.449 1.389 1.00 0.00 H ATOM 1142 N LYS A 125 17.547 -8.764 3.306 1.00 10.93 N ATOM 1143 CA LYS A 125 16.683 -9.308 4.345 1.00 9.95 C ATOM 1144 C LYS A 125 15.638 -8.290 4.794 1.00 11.18 C ATOM 1145 O LYS A 125 14.526 -8.659 5.161 1.00 12.54 O ATOM 1146 CB LYS A 125 17.499 -9.714 5.539 1.00 13.15 C ATOM 1147 CG LYS A 125 18.461 -10.869 5.217 1.00 21.08 C ATOM 1148 CD LYS A 125 19.471 -10.936 6.334 1.00 24.61 C ATOM 1149 CE LYS A 125 20.492 -12.035 6.156 1.00 40.75 C ATOM 1150 NZ LYS A 125 21.490 -11.930 7.267 1.00 54.60 N ATOM 1151 HZ1 LYS A 125 21.954 -11.000 7.228 1.00 0.00 H ATOM 1152 HZ2 LYS A 125 21.003 -12.038 8.180 1.00 0.00 H ATOM 1153 HZ3 LYS A 125 22.203 -12.680 7.163 1.00 0.00 H ATOM 1154 H LYS A 125 18.168 -7.965 3.546 1.00 0.00 H ATOM 1155 N HIS A 126 16.014 -7.013 4.819 1.00 9.77 N ATOM 1156 CA HIS A 126 15.106 -5.943 5.178 1.00 9.61 C ATOM 1157 C HIS A 126 14.976 -4.976 4.023 1.00 9.92 C ATOM 1158 O HIS A 126 15.974 -4.614 3.413 1.00 9.91 O ATOM 1159 CB HIS A 126 15.589 -5.207 6.439 1.00 9.08 C ATOM 1160 CG HIS A 126 15.603 -6.086 7.648 1.00 7.53 C ATOM 1161 ND1 HIS A 126 14.580 -6.121 8.568 1.00 8.39 N ATOM 1162 CD2 HIS A 126 16.506 -7.018 8.053 1.00 7.86 C ATOM 1163 CE1 HIS A 126 14.854 -7.007 9.506 1.00 9.48 C ATOM 1164 NE2 HIS A 126 16.028 -7.565 9.217 1.00 9.46 N ATOM 1165 H HIS A 126 16.996 -6.775 4.572 1.00 0.00 H ATOM 1166 N VAL A 127 13.729 -4.570 3.725 1.00 8.18 N ATOM 1167 CA VAL A 127 13.494 -3.651 2.620 1.00 8.68 C ATOM 1168 C VAL A 127 13.800 -2.227 3.031 1.00 8.48 C ATOM 1169 O VAL A 127 13.116 -1.634 3.876 1.00 7.66 O ATOM 1170 CB VAL A 127 12.024 -3.740 2.105 1.00 9.01 C ATOM 1171 CG1 VAL A 127 11.761 -2.688 0.985 1.00 10.00 C ATOM 1172 CG2 VAL A 127 11.724 -5.173 1.621 1.00 11.25 C ATOM 1173 H VAL A 127 12.926 -4.915 4.288 1.00 0.00 H ATOM 1174 N VAL A 128 14.788 -1.639 2.369 1.00 8.85 N ATOM 1175 CA VAL A 128 15.128 -0.222 2.546 1.00 9.68 C ATOM 1176 C VAL A 128 14.177 0.640 1.711 1.00 10.39 C ATOM 1177 O VAL A 128 13.957 0.341 0.509 1.00 10.17 O ATOM 1178 CB VAL A 128 16.578 0.033 2.145 1.00 10.25 C ATOM 1179 CG1 VAL A 128 16.875 1.546 2.070 1.00 9.37 C ATOM 1180 CG2 VAL A 128 17.509 -0.654 3.139 1.00 10.31 C ATOM 1181 H VAL A 128 15.344 -2.205 1.697 1.00 0.00 H ATOM 1182 N PHE A 129 13.628 1.719 2.288 1.00 8.22 N ATOM 1183 CA PHE A 129 12.608 2.473 1.530 1.00 9.03 C ATOM 1184 C PHE A 129 12.678 3.973 1.753 1.00 9.56 C ATOM 1185 O PHE A 129 11.827 4.690 1.255 1.00 9.67 O ATOM 1186 CB PHE A 129 11.217 1.923 1.872 1.00 10.29 C ATOM 1187 CG PHE A 129 10.799 2.132 3.320 1.00 8.53 C ATOM 1188 CD1 PHE A 129 11.135 1.204 4.304 1.00 7.36 C ATOM 1189 CD2 PHE A 129 10.033 3.257 3.667 1.00 8.77 C ATOM 1190 CE1 PHE A 129 10.740 1.426 5.622 1.00 7.66 C ATOM 1191 CE2 PHE A 129 9.664 3.477 4.937 1.00 9.51 C ATOM 1192 CZ PHE A 129 10.017 2.560 5.929 1.00 7.45 C ATOM 1193 H PHE A 129 13.912 2.017 3.243 1.00 0.00 H ATOM 1194 N GLY A 130 13.677 4.440 2.514 1.00 7.66 N ATOM 1195 CA GLY A 130 13.760 5.880 2.716 1.00 8.79 C ATOM 1196 C GLY A 130 15.041 6.259 3.427 1.00 7.37 C ATOM 1197 O GLY A 130 15.913 5.395 3.674 1.00 8.66 O ATOM 1198 H GLY A 130 14.370 3.796 2.946 1.00 0.00 H ATOM 1199 N LYS A 131 15.188 7.546 3.718 1.00 8.60 N ATOM 1200 CA LYS A 131 16.373 8.057 4.412 1.00 9.03 C ATOM 1201 C LYS A 131 16.001 9.303 5.172 1.00 8.91 C ATOM 1202 O LYS A 131 15.189 10.120 4.732 1.00 10.06 O ATOM 1203 CB LYS A 131 17.509 8.346 3.417 1.00 11.24 C ATOM 1204 CG LYS A 131 18.859 8.681 4.056 1.00 14.87 C ATOM 1205 CD LYS A 131 19.952 8.860 2.994 1.00 25.30 C ATOM 1206 CE LYS A 131 21.284 8.863 3.733 1.00 27.02 C ATOM 1207 NZ LYS A 131 22.471 8.932 2.816 1.00 41.05 N ATOM 1208 HZ1 LYS A 131 22.466 8.108 2.181 1.00 0.00 H ATOM 1209 HZ2 LYS A 131 22.422 9.805 2.253 1.00 0.00 H ATOM 1210 HZ3 LYS A 131 23.344 8.931 3.381 1.00 0.00 H ATOM 1211 H LYS A 131 14.438 8.213 3.445 1.00 0.00 H ATOM 1212 N VAL A 132 16.629 9.509 6.319 1.00 8.73 N ATOM 1213 CA VAL A 132 16.485 10.785 7.026 1.00 8.42 C ATOM 1214 C VAL A 132 16.947 11.950 6.142 1.00 9.55 C ATOM 1215 O VAL A 132 18.040 11.891 5.548 1.00 11.69 O ATOM 1216 CB VAL A 132 17.291 10.754 8.334 1.00 8.55 C ATOM 1217 CG1 VAL A 132 17.328 12.150 9.001 1.00 10.26 C ATOM 1218 CG2 VAL A 132 16.716 9.678 9.306 1.00 9.45 C ATOM 1219 H VAL A 132 17.229 8.760 6.721 1.00 0.00 H ATOM 1220 N LYS A 133 16.101 12.975 6.065 1.00 10.30 N ATOM 1221 CA LYS A 133 16.306 14.168 5.244 1.00 12.47 C ATOM 1222 C LYS A 133 16.805 15.317 6.132 1.00 13.65 C ATOM 1223 O LYS A 133 17.643 16.135 5.705 1.00 17.82 O ATOM 1224 CB LYS A 133 14.963 14.477 4.536 1.00 16.39 C ATOM 1225 CG LYS A 133 14.945 15.738 3.731 1.00 22.63 C ATOM 1226 CD LYS A 133 13.593 15.857 3.081 1.00 17.98 C ATOM 1227 CE LYS A 133 13.478 17.164 2.321 1.00 32.59 C ATOM 1228 NZ LYS A 133 14.457 17.197 1.200 1.00 33.93 N ATOM 1229 HZ1 LYS A 133 15.421 17.108 1.580 1.00 0.00 H ATOM 1230 HZ2 LYS A 133 14.265 16.408 0.551 1.00 0.00 H ATOM 1231 HZ3 LYS A 133 14.366 18.098 0.689 1.00 0.00 H ATOM 1232 H LYS A 133 15.230 12.924 6.631 1.00 0.00 H ATOM 1233 N GLU A 134 16.266 15.428 7.327 1.00 11.30 N ATOM 1234 CA GLU A 134 16.580 16.489 8.286 1.00 11.36 C ATOM 1235 C GLU A 134 16.379 15.913 9.685 1.00 10.43 C ATOM 1236 O GLU A 134 15.543 15.004 9.895 1.00 9.97 O ATOM 1237 CB GLU A 134 15.689 17.718 8.065 1.00 14.94 C ATOM 1238 CG GLU A 134 15.993 18.865 9.013 1.00 24.97 C ATOM 1239 CD GLU A 134 15.166 20.124 8.711 1.00 43.04 C ATOM 1240 OE1 GLU A 134 15.186 21.034 9.576 1.00 43.04 O ATOM 1241 OE2 GLU A 134 14.505 20.204 7.628 1.00 32.41 O ATOM 1242 H GLU A 134 15.568 14.712 7.611 1.00 0.00 H ATOM 1243 N GLY A 135 17.202 16.328 10.636 1.00 11.07 N ATOM 1244 CA GLY A 135 17.017 15.889 12.006 1.00 11.34 C ATOM 1245 C GLY A 135 17.836 14.654 12.374 1.00 10.96 C ATOM 1246 O GLY A 135 17.555 13.962 13.364 1.00 10.27 O ATOM 1247 H GLY A 135 17.984 16.971 10.400 1.00 0.00 H ATOM 1248 N MET A 136 18.917 14.366 11.639 1.00 10.89 N ATOM 1249 CA MET A 136 19.816 13.346 12.104 1.00 10.53 C ATOM 1250 C MET A 136 20.420 13.657 13.471 1.00 13.71 C ATOM 1251 O MET A 136 20.736 12.746 14.259 1.00 12.01 O ATOM 1252 CB MET A 136 20.943 13.095 11.089 1.00 13.20 C ATOM 1253 CG MET A 136 21.520 11.718 11.238 1.00 19.83 C ATOM 1254 SD MET A 136 20.374 10.334 10.905 1.00 15.01 S ATOM 1255 CE MET A 136 21.362 9.078 11.758 1.00 17.36 C ATOM 1256 H MET A 136 19.103 14.871 10.749 1.00 0.00 H ATOM 1257 N ASN A 137 20.543 14.939 13.810 1.00 11.16 N ATOM 1258 CA ASN A 137 20.982 15.253 15.154 1.00 11.62 C ATOM 1259 C ASN A 137 19.970 14.837 16.256 1.00 9.78 C ATOM 1260 O ASN A 137 20.361 14.516 17.377 1.00 9.69 O ATOM 1261 CB ASN A 137 21.327 16.764 15.255 1.00 11.24 C ATOM 1262 CG ASN A 137 20.112 17.642 15.242 1.00 14.29 C ATOM 1263 OD1 ASN A 137 19.217 17.514 14.391 1.00 13.95 O ATOM 1264 ND2 ASN A 137 20.054 18.588 16.236 1.00 17.38 N ATOM 1265 HD22 ASN A 137 20.826 18.662 16.929 1.00 0.00 H ATOM 1266 HD21 ASN A 137 19.238 19.231 16.295 1.00 0.00 H ATOM 1267 H ASN A 137 20.330 15.694 13.128 1.00 0.00 H ATOM 1268 N ILE A 138 18.687 14.800 15.909 1.00 8.98 N ATOM 1269 CA ILE A 138 17.663 14.282 16.804 1.00 9.84 C ATOM 1270 C ILE A 138 17.784 12.735 16.953 1.00 9.17 C ATOM 1271 O ILE A 138 17.653 12.221 18.038 1.00 8.13 O ATOM 1272 CB ILE A 138 16.242 14.660 16.277 1.00 7.99 C ATOM 1273 CG1 ILE A 138 16.163 16.198 16.142 1.00 9.78 C ATOM 1274 CG2 ILE A 138 15.160 14.148 17.217 1.00 10.55 C ATOM 1275 CD1 ILE A 138 16.534 16.942 17.413 1.00 10.51 C ATOM 1276 H ILE A 138 18.407 15.151 14.971 1.00 0.00 H ATOM 1277 N VAL A 139 18.056 12.047 15.857 1.00 8.80 N ATOM 1278 CA VAL A 139 18.292 10.594 15.965 1.00 10.24 C ATOM 1279 C VAL A 139 19.533 10.332 16.860 1.00 11.10 C ATOM 1280 O VAL A 139 19.519 9.435 17.715 1.00 10.16 O ATOM 1281 CB VAL A 139 18.460 9.969 14.571 1.00 9.65 C ATOM 1282 CG1 VAL A 139 18.801 8.468 14.711 1.00 12.83 C ATOM 1283 CG2 VAL A 139 17.219 10.149 13.725 1.00 9.55 C ATOM 1284 H VAL A 139 18.103 12.522 14.933 1.00 0.00 H ATOM 1285 N GLU A 140 20.575 11.144 16.715 1.00 11.09 N ATOM 1286 CA GLU A 140 21.759 10.995 17.549 1.00 11.52 C ATOM 1287 C GLU A 140 21.432 11.256 19.011 1.00 10.11 C ATOM 1288 O GLU A 140 21.920 10.523 19.897 1.00 11.91 O ATOM 1289 CB GLU A 140 22.876 11.917 17.035 1.00 14.22 C ATOM 1290 CG GLU A 140 23.441 11.375 15.683 1.00 26.17 C ATOM 1291 CD GLU A 140 24.341 12.378 14.948 1.00 44.08 C ATOM 1292 OE1 GLU A 140 24.454 13.549 15.406 1.00 45.16 O ATOM 1293 OE2 GLU A 140 24.919 11.991 13.901 1.00 46.41 O ATOM 1294 H GLU A 140 20.544 11.895 15.997 1.00 0.00 H ATOM 1295 N ALA A 141 20.586 12.239 19.295 1.00 9.52 N ATOM 1296 CA ALA A 141 20.135 12.465 20.653 1.00 10.74 C ATOM 1297 C ALA A 141 19.318 11.272 21.169 1.00 11.83 C ATOM 1298 O ALA A 141 19.492 10.842 22.321 1.00 11.39 O ATOM 1299 CB ALA A 141 19.289 13.795 20.737 1.00 10.52 C ATOM 1300 H ALA A 141 20.242 12.856 18.531 1.00 0.00 H ATOM 1301 N MET A 142 18.448 10.688 20.334 1.00 10.09 N ATOM 1302 CA MET A 142 17.715 9.503 20.765 1.00 10.98 C ATOM 1303 C MET A 142 18.623 8.367 21.223 1.00 11.37 C ATOM 1304 O MET A 142 18.261 7.618 22.117 1.00 10.76 O ATOM 1305 CB MET A 142 16.819 8.989 19.646 1.00 10.29 C ATOM 1306 CG MET A 142 15.693 9.945 19.341 1.00 10.57 C ATOM 1307 SD MET A 142 14.886 9.650 17.722 1.00 11.29 S ATOM 1308 CE MET A 142 14.350 7.953 17.916 1.00 12.53 C ATOM 1309 H MET A 142 18.296 11.078 19.382 1.00 0.00 H ATOM 1310 N GLU A 143 19.794 8.228 20.597 1.00 11.90 N ATOM 1311 CA GLU A 143 20.683 7.117 20.943 1.00 12.46 C ATOM 1312 C GLU A 143 21.147 7.208 22.372 1.00 15.93 C ATOM 1313 O GLU A 143 21.497 6.222 23.011 1.00 15.24 O ATOM 1314 CB GLU A 143 21.891 7.066 20.019 1.00 13.32 C ATOM 1315 CG GLU A 143 21.589 6.624 18.639 1.00 14.93 C ATOM 1316 CD GLU A 143 22.847 6.472 17.826 1.00 16.88 C ATOM 1317 OE1 GLU A 143 23.508 7.492 17.516 1.00 21.34 O ATOM 1318 OE2 GLU A 143 23.178 5.329 17.464 1.00 18.26 O ATOM 1319 H GLU A 143 20.075 8.909 19.863 1.00 0.00 H ATOM 1320 N ARG A 144 21.176 8.405 22.908 1.00 14.74 N ATOM 1321 CA ARG A 144 21.671 8.528 24.251 1.00 15.93 C ATOM 1322 C ARG A 144 20.735 7.839 25.244 1.00 16.91 C ATOM 1323 O ARG A 144 21.130 7.530 26.363 1.00 19.51 O ATOM 1324 CB ARG A 144 21.892 10.026 24.570 1.00 20.86 C ATOM 1325 CG ARG A 144 22.759 10.758 23.513 1.00 21.72 C ATOM 1326 CD ARG A 144 24.053 10.013 23.163 1.00 32.22 C ATOM 1327 NE ARG A 144 25.180 10.462 23.969 1.00 46.90 N ATOM 1328 CZ ARG A 144 26.017 9.648 24.602 1.00 54.11 C ATOM 1329 NH1 ARG A 144 25.851 8.320 24.532 1.00 45.77 N ATOM 1330 NH2 ARG A 144 27.018 10.166 25.310 1.00 43.36 N ATOM 1331 HE ARG A 144 25.340 11.486 24.054 1.00 0.00 H ATOM 1332 HH12 ARG A 144 26.509 7.687 25.029 1.00 0.00 H ATOM 1333 HH11 ARG A 144 25.064 7.923 23.980 1.00 0.00 H ATOM 1334 HH22 ARG A 144 27.680 9.539 25.810 1.00 0.00 H ATOM 1335 HH21 ARG A 144 27.138 11.198 25.363 1.00 0.00 H ATOM 1336 H ARG A 144 20.851 9.238 22.378 1.00 0.00 H ATOM 1337 N PHE A 145 19.492 7.527 24.838 1.00 11.49 N ATOM 1338 CA PHE A 145 18.529 6.896 25.715 1.00 12.57 C ATOM 1339 C PHE A 145 18.412 5.397 25.441 1.00 12.88 C ATOM 1340 O PHE A 145 17.537 4.746 25.989 1.00 14.58 O ATOM 1341 CB PHE A 145 17.149 7.578 25.562 1.00 13.17 C ATOM 1342 CG PHE A 145 17.206 9.040 25.857 1.00 14.12 C ATOM 1343 CD1 PHE A 145 17.308 9.453 27.153 1.00 16.00 C ATOM 1344 CD2 PHE A 145 17.296 9.962 24.826 1.00 14.03 C ATOM 1345 CE1 PHE A 145 17.421 10.805 27.458 1.00 15.90 C ATOM 1346 CE2 PHE A 145 17.449 11.325 25.121 1.00 13.92 C ATOM 1347 CZ PHE A 145 17.522 11.716 26.437 1.00 15.78 C ATOM 1348 H PHE A 145 19.213 7.747 23.860 1.00 0.00 H ATOM 1349 N GLY A 146 19.276 4.900 24.554 1.00 12.10 N ATOM 1350 CA GLY A 146 19.326 3.464 24.260 1.00 11.65 C ATOM 1351 C GLY A 146 20.339 2.725 25.137 1.00 15.96 C ATOM 1352 O GLY A 146 20.929 3.287 26.077 1.00 15.52 O ATOM 1353 H GLY A 146 19.927 5.544 24.061 1.00 0.00 H ATOM 1354 N SER A 147 20.569 1.463 24.803 1.00 11.02 N ATOM 1355 CA SER A 147 21.448 0.595 25.606 1.00 11.74 C ATOM 1356 C SER A 147 21.865 -0.572 24.726 1.00 11.49 C ATOM 1357 O SER A 147 21.331 -0.783 23.651 1.00 11.30 O ATOM 1358 CB SER A 147 20.731 0.079 26.858 1.00 12.07 C ATOM 1359 OG SER A 147 19.647 -0.772 26.508 1.00 13.98 O ATOM 1360 HG SER A 147 18.999 -0.268 25.954 1.00 0.00 H ATOM 1361 H SER A 147 20.117 1.075 23.951 1.00 0.00 H ATOM 1362 N ARG A 148 22.835 -1.324 25.211 1.00 12.81 N ATOM 1363 CA ARG A 148 23.380 -2.448 24.486 1.00 16.60 C ATOM 1364 C ARG A 148 22.334 -3.459 24.006 1.00 11.89 C ATOM 1365 O ARG A 148 22.337 -3.941 22.855 1.00 13.51 O ATOM 1366 CB ARG A 148 24.394 -3.147 25.417 1.00 21.68 C ATOM 1367 CG ARG A 148 25.038 -4.328 24.820 1.00 22.26 C ATOM 1368 CD ARG A 148 26.026 -5.036 25.769 1.00 22.70 C ATOM 1369 NE ARG A 148 27.198 -4.253 26.172 1.00 35.22 N ATOM 1370 CZ ARG A 148 27.369 -3.740 27.396 1.00 32.51 C ATOM 1371 NH1 ARG A 148 26.446 -3.918 28.340 1.00 33.50 N ATOM 1372 NH2 ARG A 148 28.465 -3.061 27.687 1.00 33.99 N ATOM 1373 HE ARG A 148 27.941 -4.086 25.464 1.00 0.00 H ATOM 1374 HH12 ARG A 148 26.588 -3.515 29.288 1.00 0.00 H ATOM 1375 HH11 ARG A 148 25.584 -4.460 28.129 1.00 0.00 H ATOM 1376 HH22 ARG A 148 28.593 -2.664 28.640 1.00 0.00 H ATOM 1377 HH21 ARG A 148 29.199 -2.924 26.963 1.00 0.00 H ATOM 1378 H ARG A 148 23.221 -1.099 26.150 1.00 0.00 H ATOM 1379 N ASN A 149 21.396 -3.762 24.881 1.00 11.37 N ATOM 1380 CA ASN A 149 20.356 -4.711 24.539 1.00 10.93 C ATOM 1381 C ASN A 149 19.100 -4.078 23.962 1.00 13.41 C ATOM 1382 O ASN A 149 18.144 -4.785 23.615 1.00 12.38 O ATOM 1383 CB ASN A 149 19.980 -5.552 25.751 1.00 9.89 C ATOM 1384 CG ASN A 149 21.103 -6.501 26.177 1.00 10.71 C ATOM 1385 OD1 ASN A 149 22.107 -6.615 25.493 1.00 10.90 O ATOM 1386 ND2 ASN A 149 20.914 -7.158 27.313 1.00 10.98 N ATOM 1387 HD22 ASN A 149 20.036 -7.020 27.854 1.00 0.00 H ATOM 1388 HD21 ASN A 149 21.643 -7.811 27.663 1.00 0.00 H ATOM 1389 H ASN A 149 21.402 -3.318 25.821 1.00 0.00 H ATOM 1390 N GLY A 150 19.112 -2.756 23.876 1.00 11.00 N ATOM 1391 CA GLY A 150 18.060 -2.018 23.183 1.00 10.10 C ATOM 1392 C GLY A 150 16.981 -1.391 24.082 1.00 11.73 C ATOM 1393 O GLY A 150 16.246 -0.495 23.627 1.00 10.24 O ATOM 1394 H GLY A 150 19.894 -2.229 24.315 1.00 0.00 H ATOM 1395 N LYS A 151 16.861 -1.796 25.346 1.00 11.88 N ATOM 1396 CA LYS A 151 15.879 -1.145 26.232 1.00 13.91 C ATOM 1397 C LYS A 151 16.226 0.344 26.393 1.00 13.16 C ATOM 1398 O LYS A 151 17.372 0.748 26.514 1.00 14.45 O ATOM 1399 CB LYS A 151 15.784 -1.824 27.617 1.00 18.72 C ATOM 1400 CG LYS A 151 15.426 -3.317 27.592 1.00 36.71 C ATOM 1401 CD LYS A 151 14.191 -3.630 26.737 1.00 38.57 C ATOM 1402 CE LYS A 151 14.286 -5.031 26.104 1.00 45.41 C ATOM 1403 NZ LYS A 151 13.058 -5.436 25.336 1.00 44.06 N ATOM 1404 HZ1 LYS A 151 12.237 -5.441 25.975 1.00 0.00 H ATOM 1405 HZ2 LYS A 151 12.894 -4.759 24.564 1.00 0.00 H ATOM 1406 HZ3 LYS A 151 13.196 -6.388 24.940 1.00 0.00 H ATOM 1407 H LYS A 151 17.458 -2.568 25.706 1.00 0.00 H ATOM 1408 N THR A 152 15.177 1.155 26.324 1.00 14.30 N ATOM 1409 CA THR A 152 15.366 2.594 26.459 1.00 14.29 C ATOM 1410 C THR A 152 15.259 3.037 27.930 1.00 15.34 C ATOM 1411 O THR A 152 14.512 2.454 28.694 1.00 17.34 O ATOM 1412 CB THR A 152 14.350 3.344 25.573 1.00 14.52 C ATOM 1413 OG1 THR A 152 13.007 3.043 25.975 1.00 16.28 O ATOM 1414 CG2 THR A 152 14.571 2.956 24.097 1.00 15.26 C ATOM 1415 HG1 THR A 152 12.372 3.533 25.395 1.00 0.00 H ATOM 1416 H THR A 152 14.225 0.765 26.174 1.00 0.00 H ATOM 1417 N SER A 153 16.007 4.080 28.271 1.00 14.80 N ATOM 1418 CA SER A 153 16.078 4.559 29.656 1.00 19.29 C ATOM 1419 C SER A 153 15.069 5.669 29.953 1.00 24.87 C ATOM 1420 O SER A 153 14.913 6.052 31.116 1.00 20.39 O ATOM 1421 CB SER A 153 17.481 5.074 29.966 1.00 17.77 C ATOM 1422 OG SER A 153 17.816 6.152 29.114 1.00 18.90 O ATOM 1423 HG SER A 153 18.728 6.471 29.330 1.00 0.00 H ATOM 1424 H SER A 153 16.557 4.570 27.537 1.00 0.00 H ATOM 1425 N LYS A 154 14.433 6.190 28.891 1.00 16.82 N ATOM 1426 CA LYS A 154 13.276 7.092 28.920 1.00 16.30 C ATOM 1427 C LYS A 154 12.296 6.636 27.837 1.00 17.20 C ATOM 1428 O LYS A 154 12.689 5.939 26.886 1.00 17.21 O ATOM 1429 CB LYS A 154 13.694 8.548 28.670 1.00 17.11 C ATOM 1430 CG LYS A 154 14.746 9.083 29.648 1.00 19.42 C ATOM 1431 CD LYS A 154 14.145 9.268 31.017 1.00 32.85 C ATOM 1432 CE LYS A 154 15.155 9.801 32.034 1.00 37.10 C ATOM 1433 NZ LYS A 154 15.796 11.083 31.630 1.00 40.66 N ATOM 1434 HZ1 LYS A 154 16.303 10.948 30.732 1.00 0.00 H ATOM 1435 HZ2 LYS A 154 15.064 11.812 31.510 1.00 0.00 H ATOM 1436 HZ3 LYS A 154 16.466 11.381 32.367 1.00 0.00 H ATOM 1437 H LYS A 154 14.797 5.928 27.953 1.00 0.00 H ATOM 1438 N LYS A 155 11.051 7.059 27.933 1.00 16.39 N ATOM 1439 CA LYS A 155 10.072 6.732 26.905 1.00 14.06 C ATOM 1440 C LYS A 155 10.244 7.642 25.702 1.00 14.35 C ATOM 1441 O LYS A 155 10.088 8.863 25.823 1.00 13.98 O ATOM 1442 CB LYS A 155 8.651 6.862 27.439 1.00 18.26 C ATOM 1443 CG LYS A 155 8.268 5.864 28.518 1.00 26.47 C ATOM 1444 CD LYS A 155 6.814 6.082 28.960 1.00 36.91 C ATOM 1445 CE LYS A 155 6.629 7.414 29.722 1.00 40.74 C ATOM 1446 NZ LYS A 155 7.485 7.528 30.948 1.00 39.73 N ATOM 1447 HZ1 LYS A 155 7.250 6.758 31.606 1.00 0.00 H ATOM 1448 HZ2 LYS A 155 8.487 7.461 30.677 1.00 0.00 H ATOM 1449 HZ3 LYS A 155 7.310 8.444 31.408 1.00 0.00 H ATOM 1450 H LYS A 155 10.765 7.633 28.752 1.00 0.00 H ATOM 1451 N ILE A 156 10.584 7.067 24.550 1.00 12.23 N ATOM 1452 CA ILE A 156 10.875 7.838 23.335 1.00 10.06 C ATOM 1453 C ILE A 156 9.709 7.680 22.391 1.00 11.11 C ATOM 1454 O ILE A 156 9.514 6.567 21.859 1.00 11.18 O ATOM 1455 CB ILE A 156 12.168 7.355 22.685 1.00 10.67 C ATOM 1456 CG1 ILE A 156 13.291 7.258 23.728 1.00 12.73 C ATOM 1457 CG2 ILE A 156 12.527 8.205 21.494 1.00 10.34 C ATOM 1458 CD1 ILE A 156 13.635 8.616 24.349 1.00 13.23 C ATOM 1459 H ILE A 156 10.646 6.030 24.509 1.00 0.00 H ATOM 1460 N THR A 157 8.906 8.729 22.217 1.00 9.45 N ATOM 1461 CA THR A 157 7.641 8.587 21.500 1.00 10.50 C ATOM 1462 C THR A 157 7.573 9.495 20.281 1.00 9.89 C ATOM 1463 O THR A 157 8.281 10.535 20.169 1.00 9.39 O ATOM 1464 CB THR A 157 6.435 8.897 22.419 1.00 11.53 C ATOM 1465 OG1 THR A 157 6.570 10.242 22.896 1.00 13.85 O ATOM 1466 CG2 THR A 157 6.335 7.901 23.587 1.00 14.43 C ATOM 1467 HG1 THR A 157 5.806 10.460 23.487 1.00 0.00 H ATOM 1468 H THR A 157 9.182 9.658 22.595 1.00 0.00 H ATOM 1469 N ILE A 158 6.704 9.084 19.356 1.00 9.77 N ATOM 1470 CA ILE A 158 6.317 9.887 18.210 1.00 9.21 C ATOM 1471 C ILE A 158 5.104 10.696 18.668 1.00 10.26 C ATOM 1472 O ILE A 158 3.987 10.209 18.646 1.00 10.97 O ATOM 1473 CB ILE A 158 6.028 9.005 16.974 1.00 8.69 C ATOM 1474 CG1 ILE A 158 7.275 8.191 16.600 1.00 9.55 C ATOM 1475 CG2 ILE A 158 5.569 9.854 15.772 1.00 10.59 C ATOM 1476 CD1 ILE A 158 7.021 7.149 15.533 1.00 8.85 C ATOM 1477 H ILE A 158 6.282 8.139 19.461 1.00 0.00 H ATOM 1478 N ALA A 159 5.367 11.887 19.172 1.00 10.69 N ATOM 1479 CA ALA A 159 4.296 12.715 19.747 1.00 10.20 C ATOM 1480 C ALA A 159 3.348 13.155 18.643 1.00 13.08 C ATOM 1481 O ALA A 159 2.137 13.290 18.872 1.00 14.07 O ATOM 1482 CB ALA A 159 4.887 13.918 20.463 1.00 13.54 C ATOM 1483 H ALA A 159 6.344 12.244 19.162 1.00 0.00 H ATOM 1484 N ASP A 160 3.881 13.425 17.460 1.00 11.26 N ATOM 1485 CA ASP A 160 3.077 13.824 16.305 1.00 12.70 C ATOM 1486 C ASP A 160 3.821 13.414 15.025 1.00 11.21 C ATOM 1487 O ASP A 160 5.025 13.186 15.055 1.00 10.14 O ATOM 1488 CB ASP A 160 2.807 15.340 16.332 1.00 16.06 C ATOM 1489 CG ASP A 160 1.729 15.734 15.374 1.00 24.76 C ATOM 1490 OD1 ASP A 160 0.897 14.865 15.077 1.00 21.21 O ATOM 1491 OD2 ASP A 160 1.706 16.907 14.931 1.00 35.65 O ATOM 1492 H ASP A 160 4.912 13.350 17.348 1.00 0.00 H ATOM 1493 N CYS A 161 3.100 13.254 13.923 1.00 9.08 N ATOM 1494 CA CYS A 161 3.715 12.859 12.658 1.00 7.73 C ATOM 1495 C CYS A 161 2.777 13.209 11.533 1.00 9.24 C ATOM 1496 O CYS A 161 1.580 13.439 11.754 1.00 11.20 O ATOM 1497 CB CYS A 161 4.096 11.345 12.674 1.00 7.72 C ATOM 1498 SG CYS A 161 2.797 10.213 13.201 1.00 11.10 S ATOM 1499 H CYS A 161 2.073 13.413 13.960 1.00 0.00 H ATOM 1500 N GLY A 162 3.321 13.262 10.341 1.00 8.82 N ATOM 1501 CA GLY A 162 2.522 13.635 9.184 1.00 9.16 C ATOM 1502 C GLY A 162 3.330 13.752 7.944 1.00 9.24 C ATOM 1503 O GLY A 162 4.495 13.334 7.890 1.00 10.14 O ATOM 1504 H GLY A 162 4.329 13.036 10.222 1.00 0.00 H ATOM 1505 N GLN A 163 2.663 14.248 6.904 1.00 10.45 N ATOM 1506 CA GLN A 163 3.326 14.475 5.613 1.00 11.79 C ATOM 1507 C GLN A 163 3.582 15.960 5.360 1.00 13.18 C ATOM 1508 O GLN A 163 2.729 16.793 5.674 1.00 14.42 O ATOM 1509 CB GLN A 163 2.483 13.848 4.499 1.00 10.12 C ATOM 1510 CG GLN A 163 3.077 14.016 3.132 1.00 14.01 C ATOM 1511 CD GLN A 163 2.329 13.223 2.073 1.00 11.97 C ATOM 1512 OE1 GLN A 163 1.270 12.641 2.324 1.00 13.81 O ATOM 1513 NE2 GLN A 163 2.886 13.226 0.874 1.00 15.42 N ATOM 1514 HE22 GLN A 163 3.780 13.733 0.717 1.00 0.00 H ATOM 1515 HE21 GLN A 163 2.430 12.721 0.087 1.00 0.00 H ATOM 1516 H GLN A 163 1.654 14.479 7.007 1.00 0.00 H ATOM 1517 N LEU A 164 4.762 16.289 4.828 1.00 12.43 N ATOM 1518 CA LEU A 164 5.157 17.658 4.471 1.00 13.96 C ATOM 1519 C LEU A 164 4.792 17.826 3.004 1.00 18.63 C ATOM 1520 O LEU A 164 4.112 18.824 2.665 1.00 28.85 O ATOM 1521 CB LEU A 164 6.661 17.900 4.720 1.00 17.78 C ATOM 1522 CG LEU A 164 7.147 17.705 6.164 1.00 16.68 C ATOM 1523 CD1 LEU A 164 8.693 17.798 6.293 1.00 25.52 C ATOM 1524 CD2 LEU A 164 6.475 18.704 7.083 1.00 20.99 C ATOM 1525 H LEU A 164 5.447 15.525 4.655 1.00 0.00 H TER 1526 LEU A 164 HETATM 1527 O HOH 1 0.169 13.156 14.524 1.00 31.04 O HETATM 1528 O HOH 2 0.132 -7.282 11.268 1.00 21.06 O HETATM 1529 O HOH 3 14.270 15.592 -0.533 1.00 34.41 O HETATM 1530 O HOH 4 23.324 -11.066 5.718 1.00 40.79 O HETATM 1531 O HOH 5 6.864 -2.352 -6.639 1.00 21.33 O HETATM 1532 O HOH 6 14.132 13.199 -4.345 1.00 28.71 O HETATM 1533 O HOH 7 -0.992 -8.082 2.424 1.00 34.10 O HETATM 1534 O HOH 8 11.452 19.057 7.985 1.00 22.89 O HETATM 1535 O HOH 9 -1.312 -6.714 16.332 1.00 25.49 O HETATM 1536 O HOH 10 0.281 4.682 17.464 1.00 21.48 O HETATM 1537 O HOH 11 5.173 -5.480 -1.529 1.00 19.90 O HETATM 1538 O HOH 12 18.630 16.441 3.294 1.00 27.10 O HETATM 1539 O HOH 13 7.575 16.317 32.048 1.00 30.78 O HETATM 1540 O HOH 14 7.160 4.017 16.993 1.00 13.91 O HETATM 1541 O HOH 15 24.212 15.270 13.402 1.00 38.34 O HETATM 1542 O HOH 16 17.357 -9.251 10.799 1.00 18.21 O HETATM 1543 O HOH 17 25.462 -6.130 0.933 1.00 18.98 O HETATM 1544 O HOH 18 7.795 -15.056 11.072 1.00 36.27 O HETATM 1545 O HOH 19 7.099 -8.772 11.119 1.00 13.91 O HETATM 1546 O HOH 20 10.614 -6.100 18.214 1.00 13.90 O HETATM 1547 O HOH 21 29.237 -2.292 8.682 1.00 13.00 O HETATM 1548 O HOH 22 17.989 19.176 12.655 1.00 18.02 O HETATM 1549 O HOH 23 7.579 3.764 -8.336 1.00 26.79 O HETATM 1550 O HOH 24 2.388 -7.455 13.921 1.00 29.65 O HETATM 1551 O HOH 25 10.326 7.028 31.573 1.00 30.91 O HETATM 1552 O HOH 26 -3.178 4.263 0.415 1.00 19.42 O HETATM 1553 O HOH 27 13.691 -3.319 23.771 1.00 24.16 O HETATM 1554 O HOH 28 11.532 -6.244 4.962 1.00 15.30 O HETATM 1555 O HOH 29 -6.674 -4.754 13.279 1.00 18.45 O HETATM 1556 O HOH 30 -3.137 5.399 8.477 1.00 16.09 O HETATM 1557 O HOH 31 28.833 -8.312 6.607 1.00 18.80 O HETATM 1558 O HOH 32 25.135 14.094 17.982 1.00 25.34 O HETATM 1559 O HOH 33 20.940 3.815 17.151 1.00 17.08 O HETATM 1560 O HOH 34 8.342 -15.768 6.669 1.00 19.43 O HETATM 1561 O HOH 35 20.744 -11.336 2.480 1.00 22.36 O HETATM 1562 O HOH 36 6.326 0.618 4.924 1.00 38.36 O HETATM 1563 O HOH 37 15.926 14.308 0.538 1.00 26.74 O HETATM 1564 O HOH 38 7.357 -4.326 9.694 1.00 9.35 O HETATM 1565 O HOH 39 25.189 -1.957 2.654 1.00 15.84 O HETATM 1566 O HOH 40 4.515 1.759 20.755 1.00 14.75 O HETATM 1567 O HOH 41 3.467 7.244 -1.409 1.00 18.48 O HETATM 1568 O HOH 42 24.094 -4.937 20.990 1.00 17.73 O HETATM 1569 O HOH 43 20.382 2.980 0.136 1.00 17.83 O HETATM 1570 O HOH 44 -2.114 -8.777 4.986 1.00 31.73 O HETATM 1571 O HOH 45 0.044 1.028 -2.371 1.00 19.51 O HETATM 1572 O HOH 46 15.511 -4.965 22.822 1.00 20.23 O HETATM 1573 O HOH 47 19.799 -9.847 15.257 1.00 17.90 O HETATM 1574 O HOH 48 4.308 11.749 23.358 1.00 22.49 O HETATM 1575 O HOH 49 5.429 -6.206 -3.886 1.00 29.32 O HETATM 1576 O HOH 50 13.140 -10.804 4.102 1.00 16.27 O HETATM 1577 O HOH 51 11.649 -13.788 14.456 1.00 23.14 O HETATM 1578 O HOH 52 14.927 -10.625 7.884 1.00 18.88 O HETATM 1579 O HOH 53 -4.717 -2.352 6.941 1.00 15.25 O HETATM 1580 O HOH 54 11.441 -0.210 -8.467 1.00 24.23 O HETATM 1581 O HOH 55 -0.858 -6.528 0.100 1.00 28.71 O HETATM 1582 O HOH 56 7.121 0.352 18.900 1.00 14.95 O HETATM 1583 O HOH 57 13.362 17.676 10.568 1.00 18.65 O HETATM 1584 O HOH 58 25.327 8.003 13.050 1.00 29.27 O HETATM 1585 O HOH 59 28.631 1.968 14.813 1.00 18.07 O HETATM 1586 O HOH 60 4.215 5.279 -3.179 1.00 18.36 O HETATM 1587 O HOH 61 7.816 10.400 25.393 1.00 13.49 O HETATM 1588 O HOH 62 17.460 -11.322 -0.756 1.00 21.58 O HETATM 1589 O HOH 63 9.675 -9.293 5.597 1.00 30.15 O HETATM 1590 O HOH 64 9.482 14.455 31.585 1.00 24.90 O HETATM 1591 O HOH 65 14.861 -11.995 2.331 1.00 18.32 O HETATM 1592 O HOH 66 11.733 20.331 25.503 1.00 17.96 O HETATM 1593 O HOH 67 -1.031 14.009 3.094 1.00 19.76 O HETATM 1594 O HOH 68 23.395 -9.139 3.559 1.00 19.09 O HETATM 1595 O HOH 69 6.379 20.415 31.226 1.00 18.41 O HETATM 1596 O HOH 70 15.902 -2.936 0.060 1.00 10.69 O HETATM 1597 O HOH 71 18.499 1.812 28.843 1.00 30.19 O HETATM 1598 O HOH 72 11.009 4.175 24.376 1.00 16.14 O HETATM 1599 O HOH 73 -2.082 6.548 16.216 1.00 16.49 O HETATM 1600 O HOH 74 26.713 5.247 14.836 1.00 17.16 O HETATM 1601 O HOH 75 11.423 -12.114 0.337 1.00 21.37 O HETATM 1602 O HOH 76 -4.712 -0.005 1.517 1.00 21.45 O HETATM 1603 O HOH 77 26.093 -1.231 13.776 1.00 15.05 O HETATM 1604 O HOH 78 18.122 -4.657 1.574 1.00 30.45 O HETATM 1605 O HOH 79 29.930 -4.074 2.398 1.00 16.64 O HETATM 1606 O HOH 80 20.276 5.065 28.180 1.00 22.35 O HETATM 1607 O HOH 81 13.835 20.211 22.181 1.00 16.85 O HETATM 1608 O HOH 82 7.314 -7.334 -5.226 1.00 28.53 O HETATM 1609 O HOH 83 8.363 -4.453 1.277 1.00 12.73 O HETATM 1610 O HOH 84 11.252 -9.031 -3.375 1.00 30.29 O HETATM 1611 O HOH 85 -5.137 7.827 12.833 1.00 20.90 O HETATM 1612 O HOH 86 8.601 -11.052 -2.003 1.00 23.39 O HETATM 1613 O HOH 87 27.862 -1.114 11.640 1.00 13.87 O HETATM 1614 O HOH 88 22.822 15.600 18.305 1.00 18.49 O HETATM 1615 O HOH 89 17.403 10.923 0.641 1.00 20.17 O HETATM 1616 O HOH 90 8.885 17.127 19.338 1.00 14.33 O HETATM 1617 O HOH 91 12.484 0.080 25.442 1.00 18.36 O HETATM 1618 O HOH 92 2.012 8.294 23.554 1.00 33.36 O HETATM 1619 O HOH 93 20.748 11.059 5.887 1.00 32.18 O HETATM 1620 O HOH 94 24.529 9.393 19.617 1.00 41.07 O HETATM 1621 O HOH 95 4.685 -4.373 12.409 1.00 27.02 O HETATM 1622 O HOH 96 21.547 -7.889 13.258 1.00 26.17 O HETATM 1623 O HOH 97 10.986 3.173 28.010 1.00 27.16 O HETATM 1624 O HOH 98 -0.985 7.827 -2.030 1.00 21.95 O HETATM 1625 O HOH 99 9.439 20.534 8.961 1.00 17.56 O HETATM 1626 O HOH 100 22.568 1.385 6.966 1.00 15.46 O HETATM 1627 O HOH 101 24.443 7.468 4.919 1.00 20.72 O HETATM 1628 O HOH 102 -0.354 4.897 19.275 1.00 25.23 O HETATM 1629 O HOH 103 11.896 14.453 29.783 1.00 28.41 O HETATM 1630 O HOH 104 -0.244 8.484 12.693 1.00 17.08 O HETATM 1631 O HOH 105 25.317 -0.219 21.711 1.00 17.01 O HETATM 1632 O HOH 106 0.746 11.506 20.663 1.00 20.86 O HETATM 1633 O HOH 107 1.302 18.642 1.999 1.00 35.63 O HETATM 1634 O HOH 108 21.465 1.486 -2.066 1.00 22.38 O HETATM 1635 O HOH 109 21.129 0.294 -4.865 1.00 34.79 O HETATM 1636 O HOH 110 15.373 -7.079 -5.386 1.00 21.58 O HETATM 1637 O HOH 111 23.867 5.883 24.648 1.00 26.61 O HETATM 1638 O HOH 112 4.358 -14.272 5.386 1.00 22.90 O HETATM 1639 O HOH 113 -2.372 3.044 18.484 1.00 25.40 O HETATM 1640 O HOH 114 13.380 -7.591 22.873 1.00 18.63 O HETATM 1641 O HOH 115 3.012 -11.093 3.249 1.00 38.94 O HETATM 1642 O HOH 116 14.726 -1.323 -1.855 1.00 13.20 O HETATM 1643 O HOH 117 -0.143 14.852 7.575 1.00 15.79 O HETATM 1644 O HOH 118 26.343 -1.038 18.060 1.00 22.02 O HETATM 1645 O HOH 119 5.309 14.926 0.713 1.00 16.41 O HETATM 1646 O HOH 120 13.051 16.081 25.394 1.00 29.35 O HETATM 1647 O HOH 121 -5.829 4.488 16.187 1.00 31.04 O HETATM 1648 O HOH 122 7.211 -16.159 2.563 1.00 29.75 O HETATM 1649 O HOH 123 21.683 -3.379 27.831 1.00 19.24 O HETATM 1650 O HOH 124 3.416 20.450 12.054 1.00 36.52 O HETATM 1651 O HOH 125 6.763 10.372 31.611 1.00 43.15 O HETATM 1652 O HOH 126 -0.671 11.259 12.426 1.00 17.50 O HETATM 1653 O HOH 127 24.200 -0.329 27.703 1.00 22.91 O HETATM 1654 O HOH 128 -0.501 -11.195 7.072 1.00 24.01 O HETATM 1655 O HOH 129 10.139 -6.598 22.470 1.00 35.25 O HETATM 1656 O HOH 130 24.982 10.329 1.808 1.00 33.75 O HETATM 1657 O HOH 131 14.330 -10.992 10.739 1.00 23.12 O HETATM 1658 O HOH 132 26.363 6.413 17.442 1.00 24.79 O HETATM 1659 O HOH 133 18.674 12.150 2.567 1.00 22.36 O HETATM 1660 O HOH 134 11.542 14.462 -2.456 1.00 23.42 O HETATM 1661 O HOH 135 -0.901 13.881 9.998 1.00 23.36 O HETATM 1662 O HOH 136 14.186 17.959 25.592 1.00 47.21 O HETATM 1663 O HOH 137 25.154 16.536 14.975 1.00 38.18 O HETATM 1664 O HOH 138 19.826 15.560 8.906 1.00 22.84 O HETATM 1665 O HOH 139 -3.006 3.875 15.961 1.00 16.19 O HETATM 1666 O HOH 140 -6.304 -7.130 2.473 1.00 28.24 O HETATM 1667 O HOH 141 11.038 -4.541 23.002 1.00 29.19 O HETATM 1668 O HOH 142 4.249 20.742 9.991 1.00 35.06 O HETATM 1669 O HOH 143 3.365 -5.419 -5.143 1.00 40.14 O HETATM 1670 O HOH 144 7.207 -0.917 23.765 1.00 26.97 O HETATM 1671 O HOH 145 12.455 18.236 5.949 1.00 26.86 O HETATM 1672 O HOH 146 17.536 -1.637 17.005 1.00 15.65 O HETATM 1673 O HOH 147 13.186 15.235 28.434 1.00 29.50 O HETATM 1674 O HOH 148 12.698 20.628 11.736 1.00 42.08 O HETATM 1675 O HOH 149 21.693 12.142 2.449 1.00 29.27 O HETATM 1676 O HOH 150 0.715 11.679 -1.146 1.00 25.12 O HETATM 1677 O HOH 151 4.441 14.567 24.075 1.00 34.13 O HETATM 1678 O HOH 152 11.990 12.795 -5.824 1.00 44.36 O HETATM 1679 O HOH 153 -2.591 7.491 13.709 1.00 16.28 O HETATM 1680 O HOH 154 5.768 16.715 23.270 1.00 27.66 O HETATM 1681 O HOH 155 21.033 -7.775 -1.240 1.00 27.74 O HETATM 1682 O HOH 156 0.807 17.433 8.423 1.00 35.39 O HETATM 1683 O HOH 157 15.678 7.955 -4.739 1.00 30.36 O HETATM 1684 O HOH 158 8.613 1.331 -9.255 1.00 31.81 O HETATM 1685 O HOH 159 17.118 -0.928 15.314 1.00 3.63 O HETATM 1686 O HOH 160 1.901 2.065 -4.337 1.00 30.55 O HETATM 1687 O HOH 161 0.564 -11.876 4.244 1.00 28.10 O HETATM 1688 O HOH 162 14.363 -12.511 6.038 1.00 30.18 O HETATM 1689 O HOH 163 18.866 -8.214 12.973 1.00 17.74 O HETATM 1690 O HOH 164 5.902 9.577 27.040 1.00 22.94 O HETATM 1691 O HOH 165 6.134 -0.676 21.418 1.00 17.31 O HETATM 1692 O HOH 166 10.191 19.525 18.847 1.00 17.60 O HETATM 1693 O HOH 167 10.996 4.703 30.635 1.00 40.50 O HETATM 1694 O HOH 168 0.394 16.706 2.954 1.00 28.62 O HETATM 1695 O HOH 169 -6.346 -0.757 14.261 1.00 18.88 O HETATM 1696 O HOH 170 5.615 10.575 29.721 1.00 31.26 O HETATM 1697 O HOH 171 24.713 13.948 10.793 1.00 32.48 O HETATM 1698 O HOH 172 16.294 11.007 -5.311 1.00 29.00 O HETATM 1699 O HOH 173 4.711 -13.508 -1.014 1.00 31.21 O HETATM 1700 O HOH 174 5.731 -10.707 12.546 1.00 19.19 O HETATM 1701 O HOH 175 6.561 -6.061 11.637 1.00 16.61 O HETATM 1702 O HOH 176 26.880 -9.234 4.973 1.00 20.50 O HETATM 1703 O HOH 177 26.986 -7.924 2.289 1.00 27.98 O HETATM 1704 O HOH 178 1.099 16.558 1.167 1.00 26.31 O HETATM 1705 O HOH 179 1.392 5.547 -4.215 1.00 42.15 O HETATM 1706 O HOH 180 8.941 -3.154 24.363 1.00 39.05 O HETATM 1707 O HOH 181 -3.969 1.764 -0.293 1.00 34.20 O HETATM 1708 O HOH 182 9.153 2.807 25.839 1.00 45.84 O HETATM 1709 O HOH 183 5.361 -15.826 6.885 1.00 34.36 O HETATM 1710 O HOH 184 4.908 -12.477 11.227 1.00 34.44 O HETATM 1711 O HOH 185 4.310 6.065 -5.815 1.00 31.25 O HETATM 1712 O HOH 186 -7.485 -3.390 15.268 1.00 24.42 O HETATM 1713 O HOH 187 3.453 -12.574 1.145 1.00 39.62 O HETATM 1714 O HOH 188 3.005 9.558 -2.775 1.00 21.52 O HETATM 1715 O HOH 189 18.596 -13.628 -0.440 1.00 34.71 O HETATM 1716 O HOH 190 5.837 -17.573 0.319 1.00 28.67 O HETATM 1717 O HOH 191 25.884 -2.822 20.572 1.00 22.75 O HETATM 1718 O HOH 192 11.854 -11.478 -2.071 1.00 32.23 O HETATM 1719 O HOH 193 9.194 0.266 25.149 1.00 46.51 O HETATM 1720 O HOH 194 2.109 10.703 22.735 1.00 34.57 O HETATM 1721 O HOH 195 6.831 -1.204 -8.738 1.00 32.01 O HETATM 1722 O HOH 196 9.541 -17.882 5.366 1.00 30.20 O HETATM 1723 O HOH 197 26.832 -0.969 0.726 1.00 21.05 O HETATM 1724 O HOH 198 13.731 -13.466 0.674 1.00 25.45 O HETATM 1725 O HOH 199 6.427 17.475 20.510 1.00 18.46 O HETATM 1726 O HOH 200 6.394 -11.986 14.384 1.00 38.82 O HETATM 1727 O HOH 201 26.299 -3.442 15.450 1.00 17.73 O HETATM 1728 O HOH 202 26.364 0.052 -1.702 1.00 32.53 O HETATM 1729 O HOH 203 24.317 0.555 -2.790 1.00 38.76 O HETATM 1730 O HOH 204 -6.391 -5.519 20.809 1.00 28.53 O HETATM 1731 O HOH 205 16.027 -14.379 5.333 1.00 35.32 O HETATM 1732 O HOH 206 3.620 7.756 26.275 1.00 40.22 O HETATM 1733 O HOH 207 5.241 4.906 25.531 1.00 38.65 O HETATM 1734 O HOH 208 6.422 3.279 26.464 1.00 38.26 O HETATM 1735 N2 UNN A 209 15.653 -5.701 14.888 1.00 0.38 N HETATM 1736 N1 UNN A 209 14.918 -5.568 13.676 1.00 -0.24 N HETATM 1737 C7 UNN A 209 15.214 -4.380 12.895 1.00 0.07 C HETATM 1738 C6 UNN A 209 16.721 -4.480 12.542 1.00 -0.02 C HETATM 1739 C5 UNN A 209 17.583 -4.594 13.827 1.00 0.01 C HETATM 1740 C8 UNN A 209 17.095 -5.790 14.641 1.00 0.10 C HETATM 1741 C29 UNN A 209 17.734 -5.759 16.004 1.00 0.29 C HETATM 1742 O45 UNN A 209 17.635 -4.935 16.850 1.00 -0.36 O HETATM 1743 O47 UNN A 209 18.508 -6.844 16.162 1.00 -0.26 O HETATM 1744 C30 UNN A 209 19.141 -6.861 17.470 1.00 0.11 C HETATM 1745 C31 UNN A 209 18.252 -7.315 18.603 1.00 -0.02 C HETATM 1746 C32 UNN A 209 17.115 -8.069 18.357 1.00 -0.06 C HETATM 1747 C33 UNN A 209 16.284 -8.547 19.343 1.00 -0.05 C HETATM 1748 C34 UNN A 209 16.573 -8.181 20.650 1.00 -0.07 C HETATM 1749 C35 UNN A 209 17.696 -7.402 20.912 1.00 -0.07 C HETATM 1750 C36 UNN A 209 18.575 -6.942 19.929 1.00 -0.06 C HETATM 1751 H24 UNN A 209 19.445 -6.340 20.166 1.00 0.05 H HETATM 1752 H23 UNN A 209 17.901 -7.136 21.943 1.00 0.06 H HETATM 1753 H22 UNN A 209 15.928 -8.500 21.461 1.00 0.05 H HETATM 1754 C37 UNN A 209 15.097 -9.335 18.930 1.00 -0.07 C HETATM 1755 C38 UNN A 209 14.249 -9.854 19.814 1.00 -0.07 C HETATM 1756 C28 UNN A 209 13.064 -10.727 19.523 1.00 -0.02 C HETATM 1757 C27 UNN A 209 12.177 -10.300 18.386 1.00 -0.01 C HETATM 1758 C26 UNN A 209 10.742 -10.811 18.634 1.00 0.08 C HETATM 1759 C24 UNN A 209 10.278 -11.573 17.379 1.00 0.07 C HETATM 1760 C23 UNN A 209 10.440 -10.728 16.102 1.00 0.18 C HETATM 1761 O44 UNN A 209 10.916 -11.196 15.080 1.00 -0.40 O HETATM 1762 N4 UNN A 209 10.078 -9.377 16.218 1.00 -0.27 N HETATM 1763 C19 UNN A 209 10.256 -8.517 15.034 1.00 0.13 C HETATM 1764 C18 UNN A 209 11.652 -7.839 15.111 1.00 0.20 C HETATM 1765 O43 UNN A 209 11.898 -7.035 16.026 1.00 -0.39 O HETATM 1766 N3 UNN A 209 12.526 -8.262 14.177 1.00 -0.26 N HETATM 1767 C10 UNN A 209 13.878 -7.763 14.216 1.00 0.14 C HETATM 1768 C11 UNN A 209 14.847 -8.811 13.641 1.00 0.02 C HETATM 1769 C12 UNN A 209 15.134 -9.987 14.576 1.00 -0.05 C HETATM 1770 C17 UNN A 209 14.153 -10.973 14.837 1.00 -0.07 C HETATM 1771 C16 UNN A 209 14.468 -12.058 15.668 1.00 -0.08 C HETATM 1772 C15 UNN A 209 15.691 -12.159 16.293 1.00 -0.04 C HETATM 1773 C14 UNN A 209 16.656 -11.199 15.997 1.00 0.08 C HETATM 1774 C13 UNN A 209 16.398 -10.100 15.169 1.00 -0.03 C HETATM 1775 H45 UNN A 209 17.161 -9.351 14.990 1.00 0.05 H HETATM 1776 O42 UNN A 209 17.888 -11.320 16.589 1.00 -0.33 O HETATM 1777 H47 UNN A 209 18.447 -10.606 16.304 1.00 0.25 H HETATM 1778 H46 UNN A 209 15.896 -12.960 16.993 1.00 0.05 H HETATM 1779 H44 UNN A 209 13.730 -12.837 15.822 1.00 0.06 H HETATM 1780 H43 UNN A 209 13.165 -10.890 14.398 1.00 0.05 H HETATM 1781 H41 UNN A 209 15.800 -8.311 13.415 1.00 0.05 H HETATM 1782 H42 UNN A 209 14.412 -9.208 12.712 1.00 0.05 H HETATM 1783 C9 UNN A 209 14.019 -6.524 13.324 1.00 0.24 C HETATM 1784 O41 UNN A 209 13.391 -6.397 12.261 1.00 -0.39 O HETATM 1785 H40 UNN A 209 14.149 -7.519 15.254 1.00 0.08 H HETATM 1786 H39 UNN A 209 12.242 -8.910 13.470 1.00 0.19 H HETATM 1787 C20 UNN A 209 9.120 -7.508 14.882 1.00 -0.01 C HETATM 1788 C21 UNN A 209 9.348 -6.646 13.629 1.00 -0.06 C HETATM 1789 H33 UNN A 209 8.526 -5.923 13.527 1.00 0.02 H HETATM 1790 H34 UNN A 209 9.380 -7.293 12.740 1.00 0.02 H HETATM 1791 H35 UNN A 209 10.302 -6.106 13.724 1.00 0.02 H HETATM 1792 C22 UNN A 209 7.738 -8.167 14.791 1.00 -0.06 C HETATM 1793 H36 UNN A 209 7.567 -8.786 15.684 1.00 0.02 H HETATM 1794 H37 UNN A 209 7.692 -8.800 13.892 1.00 0.02 H HETATM 1795 H38 UNN A 209 6.964 -7.388 14.731 1.00 0.02 H HETATM 1796 H32 UNN A 209 9.128 -6.854 15.766 1.00 0.03 H HETATM 1797 H31 UNN A 209 10.242 -9.160 14.142 1.00 0.08 H HETATM 1798 H30 UNN A 209 9.712 -9.011 17.074 1.00 0.19 H HETATM 1799 C25 UNN A 209 8.821 -12.037 17.451 1.00 -0.04 C HETATM 1800 H11 UNN A 209 8.560 -12.571 16.525 1.00 0.03 H HETATM 1801 H12 UNN A 209 8.163 -11.163 17.568 1.00 0.03 H HETATM 1802 H13 UNN A 209 8.693 -12.710 18.311 1.00 0.03 H HETATM 1803 H10 UNN A 209 10.915 -12.465 17.286 1.00 0.06 H HETATM 1804 O46 UNN A 209 9.844 -9.705 18.864 1.00 -0.38 O HETATM 1805 C39 UNN A 209 9.854 -9.033 20.114 1.00 0.04 C HETATM 1806 H27 UNN A 209 9.108 -8.225 20.102 1.00 0.05 H HETATM 1807 H28 UNN A 209 10.852 -8.607 20.294 1.00 0.05 H HETATM 1808 H29 UNN A 209 9.610 -9.746 20.915 1.00 0.05 H HETATM 1809 H14 UNN A 209 10.733 -11.481 19.506 1.00 0.06 H HETATM 1810 H15 UNN A 209 12.169 -9.202 18.320 1.00 0.03 H HETATM 1811 H16 UNN A 209 12.559 -10.722 17.445 1.00 0.03 H HETATM 1812 H17 UNN A 209 13.440 -11.735 19.293 1.00 0.05 H HETATM 1813 H18 UNN A 209 12.446 -10.765 20.432 1.00 0.05 H HETATM 1814 H26 UNN A 209 14.435 -9.620 20.861 1.00 0.07 H HETATM 1815 H25 UNN A 209 14.914 -9.494 17.868 1.00 0.04 H HETATM 1816 H21 UNN A 209 16.866 -8.295 17.326 1.00 0.05 H HETATM 1817 H19 UNN A 209 20.006 -7.539 17.422 1.00 0.08 H HETATM 1818 H20 UNN A 209 19.487 -5.841 17.695 1.00 0.08 H HETATM 1819 H7 UNN A 209 17.340 -6.724 14.114 1.00 0.11 H HETATM 1820 H3 UNN A 209 18.638 -4.739 13.553 1.00 0.03 H HETATM 1821 H4 UNN A 209 17.482 -3.675 14.423 1.00 0.03 H HETATM 1822 H8 UNN A 209 16.886 -5.370 11.917 1.00 0.03 H HETATM 1823 H9 UNN A 209 17.021 -3.580 11.985 1.00 0.03 H HETATM 1824 H5 UNN A 209 15.017 -3.473 13.485 1.00 0.06 H HETATM 1825 H6 UNN A 209 14.605 -4.361 11.979 1.00 0.06 H HETATM 1826 H1 UNN A 209 15.351 -6.537 15.363 1.00 0.23 H HETATM 1827 H2 UNN A 209 15.470 -4.899 15.470 1.00 0.23 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1735 1736 1740 1826 1827 CONECT 1736 1735 1737 1783 CONECT 1737 1736 1738 1824 1825 CONECT 1738 1737 1739 1822 1823 CONECT 1739 1738 1740 1820 1821 CONECT 1740 1735 1739 1741 1819 CONECT 1741 1740 1742 1743 CONECT 1742 1741 CONECT 1743 1741 1744 CONECT 1744 1743 1745 1817 1818 CONECT 1745 1744 1746 1750 CONECT 1746 1745 1747 1816 CONECT 1747 1746 1748 1754 CONECT 1748 1747 1749 1753 CONECT 1749 1748 1750 1752 CONECT 1750 1745 1749 1751 CONECT 1751 1750 CONECT 1752 1749 CONECT 1753 1748 CONECT 1754 1747 1755 1815 CONECT 1755 1754 1756 1814 CONECT 1756 1755 1757 1812 1813 CONECT 1757 1756 1758 1810 1811 CONECT 1758 1757 1759 1804 1809 CONECT 1759 1758 1760 1799 1803 CONECT 1760 1759 1761 1762 CONECT 1761 1760 CONECT 1762 1760 1763 1798 CONECT 1763 1762 1764 1787 1797 CONECT 1764 1763 1765 1766 CONECT 1765 1764 CONECT 1766 1764 1767 1786 CONECT 1767 1766 1768 1783 1785 CONECT 1768 1767 1769 1781 1782 CONECT 1769 1768 1770 1774 CONECT 1770 1769 1771 1780 CONECT 1771 1770 1772 1779 CONECT 1772 1771 1773 1778 CONECT 1773 1772 1774 1776 CONECT 1774 1769 1773 1775 CONECT 1775 1774 CONECT 1776 1773 1777 CONECT 1777 1776 CONECT 1778 1772 CONECT 1779 1771 CONECT 1780 1770 CONECT 1781 1768 CONECT 1782 1768 CONECT 1783 1736 1767 1784 CONECT 1784 1783 CONECT 1785 1767 CONECT 1786 1766 CONECT 1787 1763 1788 1792 1796 CONECT 1788 1787 1789 1790 1791 CONECT 1789 1788 CONECT 1790 1788 CONECT 1791 1788 CONECT 1792 1787 1793 1794 1795 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1792 CONECT 1796 1787 CONECT 1797 1763 CONECT 1798 1762 CONECT 1799 1759 1800 1801 1802 CONECT 1800 1799 CONECT 1801 1799 CONECT 1802 1799 CONECT 1803 1759 CONECT 1804 1758 1805 CONECT 1805 1804 1806 1807 1808 CONECT 1806 1805 CONECT 1807 1805 CONECT 1808 1805 CONECT 1809 1758 CONECT 1810 1757 CONECT 1811 1757 CONECT 1812 1756 CONECT 1813 1756 CONECT 1814 1755 CONECT 1815 1754 CONECT 1816 1746 CONECT 1817 1744 CONECT 1818 1744 CONECT 1819 1740 CONECT 1820 1739 CONECT 1821 1739 CONECT 1822 1738 CONECT 1823 1738 CONECT 1824 1737 CONECT 1825 1737 CONECT 1826 1735 CONECT 1827 1735 MASTER 0 0 0 0 0 0 0 0 1826 1 97 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5t9z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ak4
RCSB PDB
PDBbind
165aa, >1AK4_1|Chains... at 100%
1nmk
RCSB PDB
PDBbind
165aa, >1NMK_1|Chains... at 100%
1w8l
RCSB PDB
PDBbind
165aa, >1W8L_1|Chain... at 100%
1w8m
RCSB PDB
PDBbind
165aa, >1W8M_1|Chain... at 100%
1ynd
RCSB PDB
PDBbind
165aa, >1YND_1|Chains... at 100%
2ms4
RCSB PDB
PDBbind
165aa, >2MS4_1|Chain... at 100%
2x2d
RCSB PDB
PDBbind
165aa, >2X2D_1|Chains... at 100%
4dgb
RCSB PDB
PDBbind
165aa, >4DGB_1|Chain... at 98%
4dge
RCSB PDB
PDBbind
165aa, >4DGE_1|Chains... at 98%
5lud
RCSB PDB
PDBbind
165aa, >5LUD_1|Chain... at 100%
5t9u
RCSB PDB
PDBbind
164aa, >5T9U_1|Chains... at 100%
5t9w
RCSB PDB
PDBbind
164aa, >5T9W_1|Chain... at 100%
5ta2
RCSB PDB
PDBbind
163aa, >5TA2_1|Chain... at 100%
5ta4
RCSB PDB
PDBbind
164aa, >5TA4_1|Chain... at 100%
6gji
RCSB PDB
PDBbind
165aa, >6GJI_1|Chain... at 100%
6gjj
RCSB PDB
PDBbind
165aa, >6GJJ_1|Chain... at 100%
6gjl
RCSB PDB
PDBbind
165aa, >6GJL_1|Chain... at 100%
6gjm
RCSB PDB
PDBbind
165aa, >6GJM_1|Chain... at 100%
6gjn
RCSB PDB
PDBbind
165aa, >6GJN_1|Chain... at 100%
6gjr
RCSB PDB
PDBbind
165aa, >6GJR_1|Chain... at 100%
6gjy
RCSB PDB
PDBbind
165aa, >6GJY_1|Chain... at 100%
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
5t9z
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cyclophilin A
Ligand Name
78R
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=64nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 1000-1017
Ligand Properties
Formula
C
3
5
H
4
7
N
4
O
7
Molecular Weight
635.770
Exact Mass
635.344
No. of atoms
93
No. of bonds
96
Polar Surface Area
150.88
LOGP Value
4.72 (
Computed with XLOGP3
)
4.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
CO[C@@H]1CC/C=C/c2cccc(c2)COC(=O)[C@H]2[NH2+]N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)Cc1cccc(c1)O)CCC2
InChI String
InChI=1S/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/p+1/b10-5+/t23-,28+,29+,30-,31+/m1/s1
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UniProtKB AC
UniProt accession number (AC):
P62937
Entrez Gene ID
NCBI Entrez Gene ID:
5478
ASD
Information of known allosteric effects of PDB entries
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