Browse entries in the PDBbind-CN Database
HEADER 5NGT_COMPLEX COMPND 5NGT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET UNN A 256 26 ATOM 1 N ALA A 3 -16.441 -12.734 -6.337 1.00 27.38 N ATOM 2 CA ALA A 3 -17.549 -12.369 -5.414 1.00 27.21 C ATOM 3 C ALA A 3 -16.982 -12.365 -3.991 1.00 24.92 C ATOM 4 O ALA A 3 -17.613 -12.929 -3.090 1.00 24.46 O ATOM 5 CB ALA A 3 -18.688 -13.408 -5.510 1.00 27.34 C ATOM 6 HN3 ALA A 3 -16.079 -13.677 -6.087 1.00 0.00 H ATOM 7 HN2 ALA A 3 -15.676 -12.034 -6.252 1.00 0.00 H ATOM 8 HN1 ALA A 3 -16.795 -12.745 -7.315 1.00 0.00 H ATOM 9 N SER A 4 -15.797 -11.798 -3.768 1.00 23.52 N ATOM 10 CA SER A 4 -15.207 -11.889 -2.419 1.00 22.72 C ATOM 11 C SER A 4 -14.951 -10.512 -1.801 1.00 23.01 C ATOM 12 O SER A 4 -14.682 -9.519 -2.515 1.00 26.88 O ATOM 13 CB SER A 4 -13.955 -12.761 -2.422 1.00 26.50 C ATOM 14 OG SER A 4 -12.820 -12.002 -2.753 1.00 32.81 O ATOM 15 HG SER A 4 -12.704 -11.277 -2.088 1.00 0.00 H ATOM 16 H SER A 4 -15.297 -11.300 -4.532 1.00 0.00 H ATOM 17 N ARG A 5 -15.091 -10.440 -0.483 1.00 18.87 N ATOM 18 CA ARG A 5 -14.874 -9.210 0.257 1.00 16.96 C ATOM 19 C ARG A 5 -13.666 -9.458 1.194 1.00 15.72 C ATOM 20 O ARG A 5 -13.580 -10.492 1.832 1.00 13.93 O ATOM 21 CB ARG A 5 -16.092 -8.827 1.062 1.00 19.20 C ATOM 22 CG ARG A 5 -15.894 -7.483 1.763 1.00 21.29 C ATOM 23 CD ARG A 5 -17.073 -6.557 1.723 1.00 27.24 C ATOM 24 NE ARG A 5 -16.785 -5.312 2.442 1.00 31.18 N ATOM 25 CZ ARG A 5 -17.679 -4.349 2.685 1.00 35.45 C ATOM 26 NH1 ARG A 5 -18.949 -4.474 2.299 1.00 40.49 N ATOM 27 NH2 ARG A 5 -17.305 -3.252 3.331 1.00 38.01 N ATOM 28 HE ARG A 5 -15.815 -5.168 2.788 1.00 0.00 H ATOM 29 HH12 ARG A 5 -19.630 -3.713 2.497 1.00 0.00 H ATOM 30 HH11 ARG A 5 -19.259 -5.332 1.800 1.00 0.00 H ATOM 31 HH22 ARG A 5 -17.997 -2.500 3.522 1.00 0.00 H ATOM 32 HH21 ARG A 5 -16.320 -3.144 3.646 1.00 0.00 H ATOM 33 H ARG A 5 -15.366 -11.296 0.039 1.00 0.00 H ATOM 34 N LEU A 6 -12.783 -8.474 1.304 1.00 13.39 N ATOM 35 CA LEU A 6 -11.637 -8.563 2.185 1.00 12.66 C ATOM 36 C LEU A 6 -11.950 -8.315 3.632 1.00 11.25 C ATOM 37 O LEU A 6 -12.627 -7.327 4.020 1.00 12.71 O ATOM 38 CB LEU A 6 -10.579 -7.532 1.760 1.00 12.62 C ATOM 39 CG LEU A 6 -9.942 -7.824 0.441 1.00 14.34 C ATOM 40 CD1 LEU A 6 -9.179 -6.556 0.036 1.00 16.80 C ATOM 41 CD2 LEU A 6 -9.005 -9.032 0.484 1.00 15.37 C ATOM 42 H LEU A 6 -12.918 -7.611 0.739 1.00 0.00 H ATOM 43 N TYR A 7 -11.387 -9.186 4.461 1.00 11.14 N ATOM 44 CA TYR A 7 -11.404 -9.052 5.905 1.00 10.32 C ATOM 45 C TYR A 7 -10.009 -9.361 6.461 1.00 10.12 C ATOM 46 O TYR A 7 -9.220 -10.028 5.802 1.00 10.47 O ATOM 47 CB TYR A 7 -12.393 -10.040 6.547 1.00 10.74 C ATOM 48 CG TYR A 7 -13.843 -9.782 6.207 1.00 11.23 C ATOM 49 CD1 TYR A 7 -14.360 -10.228 5.019 1.00 12.56 C ATOM 50 CD2 TYR A 7 -14.664 -9.087 7.064 1.00 13.58 C ATOM 51 CE1 TYR A 7 -15.687 -9.987 4.673 1.00 14.07 C ATOM 52 CE2 TYR A 7 -15.997 -8.823 6.713 1.00 14.30 C ATOM 53 CZ TYR A 7 -16.482 -9.274 5.502 1.00 15.38 C ATOM 54 OH TYR A 7 -17.831 -9.081 5.142 1.00 18.02 O ATOM 55 HH TYR A 7 -17.991 -9.469 4.245 1.00 0.00 H ATOM 56 H TYR A 7 -10.906 -10.012 4.051 1.00 0.00 H ATOM 57 N THR A 8 -9.773 -8.878 7.673 1.00 10.24 N ATOM 58 CA THR A 8 -8.529 -9.217 8.431 1.00 10.03 C ATOM 59 C THR A 8 -8.884 -9.907 9.736 1.00 9.79 C ATOM 60 O THR A 8 -9.998 -9.793 10.275 1.00 10.07 O ATOM 61 CB THR A 8 -7.756 -7.901 8.765 1.00 11.53 C ATOM 62 OG1 THR A 8 -8.568 -7.054 9.581 1.00 13.28 O ATOM 63 CG2 THR A 8 -7.342 -7.269 7.470 1.00 12.24 C ATOM 64 HG1 THR A 8 -9.401 -6.830 9.095 1.00 0.00 H ATOM 65 H THR A 8 -10.473 -8.245 8.109 1.00 0.00 H ATOM 66 N LEU A 9 -7.922 -10.713 10.209 1.00 9.13 N ATOM 67 CA LEU A 9 -8.034 -11.350 11.500 1.00 9.59 C ATOM 68 C LEU A 9 -6.668 -11.359 12.132 1.00 9.83 C ATOM 69 O LEU A 9 -5.740 -11.823 11.488 1.00 10.68 O ATOM 70 CB LEU A 9 -8.631 -12.767 11.336 1.00 9.79 C ATOM 71 CG LEU A 9 -8.872 -13.548 12.642 1.00 11.37 C ATOM 72 CD1 LEU A 9 -9.917 -12.863 13.488 1.00 12.02 C ATOM 73 CD2 LEU A 9 -9.234 -14.974 12.351 1.00 12.35 C ATOM 74 H LEU A 9 -7.074 -10.883 9.631 1.00 0.00 H ATOM 75 N VAL A 10 -6.536 -10.808 13.350 1.00 9.38 N ATOM 76 CA VAL A 10 -5.235 -10.706 14.008 1.00 10.14 C ATOM 77 C VAL A 10 -5.228 -11.450 15.339 1.00 10.11 C ATOM 78 O VAL A 10 -6.071 -11.261 16.185 1.00 9.04 O ATOM 79 CB VAL A 10 -4.854 -9.250 14.269 1.00 11.30 C ATOM 80 CG1 VAL A 10 -3.443 -9.156 14.835 1.00 12.51 C ATOM 81 CG2 VAL A 10 -5.024 -8.430 13.005 1.00 12.16 C ATOM 82 H VAL A 10 -7.380 -10.445 13.837 1.00 0.00 H ATOM 83 N LEU A 11 -4.210 -12.311 15.492 1.00 9.89 N ATOM 84 CA LEU A 11 -3.971 -13.060 16.731 1.00 10.89 C ATOM 85 C LEU A 11 -2.723 -12.505 17.403 1.00 10.79 C ATOM 86 O LEU A 11 -1.606 -12.499 16.833 1.00 10.96 O ATOM 87 CB LEU A 11 -3.822 -14.556 16.455 1.00 11.98 C ATOM 88 CG LEU A 11 -5.099 -15.348 16.132 1.00 14.59 C ATOM 89 CD1 LEU A 11 -6.179 -15.133 17.192 1.00 14.81 C ATOM 90 CD2 LEU A 11 -5.562 -15.005 14.750 1.00 17.29 C ATOM 91 H LEU A 11 -3.559 -12.454 14.694 1.00 0.00 H ATOM 92 N VAL A 12 -2.882 -12.122 18.673 1.00 10.24 N ATOM 93 CA VAL A 12 -1.796 -11.642 19.511 1.00 11.46 C ATOM 94 C VAL A 12 -1.311 -12.833 20.311 1.00 11.55 C ATOM 95 O VAL A 12 -2.026 -13.348 21.188 1.00 11.30 O ATOM 96 CB VAL A 12 -2.232 -10.493 20.450 1.00 12.85 C ATOM 97 CG1 VAL A 12 -1.081 -10.090 21.356 1.00 14.85 C ATOM 98 CG2 VAL A 12 -2.779 -9.315 19.620 1.00 13.47 C ATOM 99 H VAL A 12 -3.836 -12.170 19.085 1.00 0.00 H ATOM 100 N LEU A 13 -0.120 -13.317 19.947 1.00 14.60 N ATOM 101 CA LEU A 13 0.347 -14.640 20.367 1.00 18.01 C ATOM 102 C LEU A 13 1.703 -14.490 20.956 1.00 19.86 C ATOM 103 O LEU A 13 2.630 -14.134 20.247 1.00 22.78 O ATOM 104 CB LEU A 13 0.369 -15.613 19.173 1.00 20.69 C ATOM 105 CG LEU A 13 0.878 -17.022 19.451 1.00 22.19 C ATOM 106 CD1 LEU A 13 -0.036 -17.776 20.392 1.00 20.80 C ATOM 107 CD2 LEU A 13 0.992 -17.775 18.137 1.00 22.31 C ATOM 108 H LEU A 13 0.496 -12.734 19.345 1.00 0.00 H ATOM 109 N GLN A 14 1.796 -14.725 22.271 1.00 20.49 N ATOM 110 CA GLN A 14 3.033 -14.624 23.034 1.00 22.97 C ATOM 111 C GLN A 14 3.434 -16.043 23.358 1.00 23.53 C ATOM 112 O GLN A 14 2.667 -16.956 23.113 1.00 22.35 O ATOM 113 CB GLN A 14 2.768 -13.797 24.285 1.00 21.47 C ATOM 114 CG GLN A 14 2.354 -12.403 23.888 1.00 24.72 C ATOM 115 CD GLN A 14 2.175 -11.462 25.042 1.00 23.88 C ATOM 116 OE1 GLN A 14 1.811 -11.857 26.117 1.00 24.77 O ATOM 117 NE2 GLN A 14 2.456 -10.190 24.807 1.00 26.27 N ATOM 118 HE22 GLN A 14 2.768 -9.893 23.860 1.00 0.00 H ATOM 119 HE21 GLN A 14 2.365 -9.488 25.569 1.00 0.00 H ATOM 120 H GLN A 14 0.931 -14.997 22.780 1.00 0.00 H ATOM 121 N PRO A 15 4.653 -16.237 23.896 1.00 27.30 N ATOM 122 CA PRO A 15 5.131 -17.608 24.079 1.00 27.81 C ATOM 123 C PRO A 15 4.240 -18.566 24.866 1.00 27.00 C ATOM 124 O PRO A 15 4.193 -19.753 24.486 1.00 29.52 O ATOM 125 CB PRO A 15 6.496 -17.404 24.748 1.00 29.23 C ATOM 126 CG PRO A 15 6.941 -16.062 24.245 1.00 30.80 C ATOM 127 CD PRO A 15 5.660 -15.249 24.324 1.00 29.77 C ATOM 128 N GLN A 16 3.511 -18.080 25.887 1.00 24.15 N ATOM 129 CA GLN A 16 2.600 -18.930 26.669 1.00 24.39 C ATOM 130 C GLN A 16 1.114 -18.576 26.666 1.00 21.34 C ATOM 131 O GLN A 16 0.298 -19.273 27.301 1.00 21.71 O ATOM 132 CB GLN A 16 3.059 -18.974 28.137 1.00 29.08 C ATOM 133 CG GLN A 16 4.528 -19.310 28.302 1.00 33.57 C ATOM 134 CD GLN A 16 4.906 -20.571 27.566 1.00 37.71 C ATOM 135 OE1 GLN A 16 4.143 -21.547 27.541 1.00 39.80 O ATOM 136 NE2 GLN A 16 6.089 -20.556 26.939 1.00 44.26 N ATOM 137 HE22 GLN A 16 6.694 -19.712 26.990 1.00 0.00 H ATOM 138 HE21 GLN A 16 6.403 -21.389 26.401 1.00 0.00 H ATOM 139 H GLN A 16 3.594 -17.072 26.131 1.00 0.00 H ATOM 140 N ARG A 17 0.737 -17.563 25.911 1.00 17.53 N ATOM 141 CA ARG A 17 -0.659 -17.177 25.913 1.00 15.31 C ATOM 142 C ARG A 17 -1.049 -16.476 24.629 1.00 13.58 C ATOM 143 O ARG A 17 -0.211 -15.968 23.915 1.00 14.48 O ATOM 144 CB ARG A 17 -0.965 -16.281 27.106 1.00 17.00 C ATOM 145 CG ARG A 17 -0.156 -15.040 27.125 1.00 17.23 C ATOM 146 CD ARG A 17 -0.419 -14.193 28.360 1.00 20.59 C ATOM 147 NE ARG A 17 0.148 -12.869 28.219 1.00 23.54 N ATOM 148 CZ ARG A 17 -0.016 -11.873 29.104 1.00 26.17 C ATOM 149 NH1 ARG A 17 -0.763 -12.047 30.185 1.00 26.47 N ATOM 150 NH2 ARG A 17 0.548 -10.697 28.875 1.00 27.29 N ATOM 151 HE ARG A 17 0.722 -12.676 27.374 1.00 0.00 H ATOM 152 HH12 ARG A 17 -0.884 -11.269 30.864 1.00 0.00 H ATOM 153 HH11 ARG A 17 -1.228 -12.962 30.354 1.00 0.00 H ATOM 154 HH22 ARG A 17 0.426 -9.920 29.556 1.00 0.00 H ATOM 155 HH21 ARG A 17 1.113 -10.550 28.014 1.00 0.00 H ATOM 156 H ARG A 17 1.428 -17.051 25.326 1.00 0.00 H ATOM 157 N VAL A 18 -2.359 -16.449 24.398 1.00 11.70 N ATOM 158 CA VAL A 18 -2.958 -15.811 23.227 1.00 10.92 C ATOM 159 C VAL A 18 -4.096 -14.918 23.719 1.00 10.05 C ATOM 160 O VAL A 18 -4.831 -15.262 24.655 1.00 10.96 O ATOM 161 CB VAL A 18 -3.454 -16.899 22.215 1.00 11.28 C ATOM 162 CG1 VAL A 18 -4.547 -17.780 22.774 1.00 10.83 C ATOM 163 CG2 VAL A 18 -3.875 -16.272 20.908 1.00 11.36 C ATOM 164 H VAL A 18 -2.990 -16.906 25.087 1.00 0.00 H ATOM 165 N LEU A 19 -4.241 -13.767 23.070 1.00 10.38 N ATOM 166 CA LEU A 19 -5.351 -12.859 23.344 1.00 9.25 C ATOM 167 C LEU A 19 -6.520 -13.132 22.435 1.00 8.91 C ATOM 168 O LEU A 19 -6.353 -13.128 21.199 1.00 10.44 O ATOM 169 CB LEU A 19 -4.914 -11.422 23.132 1.00 9.70 C ATOM 170 CG LEU A 19 -5.893 -10.356 23.661 1.00 10.29 C ATOM 171 CD1 LEU A 19 -6.051 -10.349 25.170 1.00 11.28 C ATOM 172 CD2 LEU A 19 -5.463 -8.973 23.144 1.00 10.81 C ATOM 173 H LEU A 19 -3.543 -13.505 22.345 1.00 0.00 H ATOM 174 N LEU A 20 -7.710 -13.296 22.993 1.00 8.59 N ATOM 175 CA LEU A 20 -8.895 -13.423 22.204 1.00 9.01 C ATOM 176 C LEU A 20 -9.917 -12.443 22.727 1.00 10.39 C ATOM 177 O LEU A 20 -9.836 -12.004 23.866 1.00 10.91 O ATOM 178 CB LEU A 20 -9.457 -14.841 22.243 1.00 9.54 C ATOM 179 CG LEU A 20 -8.507 -15.943 21.733 1.00 9.50 C ATOM 180 CD1 LEU A 20 -9.049 -17.303 22.206 1.00 10.08 C ATOM 181 CD2 LEU A 20 -8.377 -15.816 20.229 1.00 10.01 C ATOM 182 H LEU A 20 -7.784 -13.333 24.030 1.00 0.00 H ATOM 183 N GLY A 21 -10.874 -12.106 21.897 1.00 9.52 N ATOM 184 CA GLY A 21 -11.918 -11.191 22.303 1.00 10.22 C ATOM 185 C GLY A 21 -13.258 -11.806 22.148 1.00 10.19 C ATOM 186 O GLY A 21 -13.495 -12.495 21.154 1.00 10.65 O ATOM 187 H GLY A 21 -10.883 -12.501 20.935 1.00 0.00 H ATOM 188 N MET A 22 -14.162 -11.522 23.089 1.00 11.78 N ATOM 189 CA MET A 22 -15.566 -11.992 22.992 1.00 14.00 C ATOM 190 C MET A 22 -16.379 -10.821 22.473 1.00 13.71 C ATOM 191 O MET A 22 -16.481 -9.796 23.154 1.00 12.38 O ATOM 192 CB MET A 22 -16.033 -12.422 24.377 1.00 17.42 C ATOM 193 CG MET A 22 -17.501 -12.620 24.602 1.00 21.68 C ATOM 194 SD MET A 22 -18.180 -13.999 23.738 1.00 26.48 S ATOM 195 CE MET A 22 -17.233 -15.421 24.372 1.00 22.33 C ATOM 196 H MET A 22 -13.874 -10.956 23.912 1.00 0.00 H ATOM 197 N LYS A 23 -16.942 -10.964 21.275 1.00 16.86 N ATOM 198 CA LYS A 23 -17.754 -9.922 20.669 1.00 18.33 C ATOM 199 C LYS A 23 -19.114 -9.873 21.320 1.00 18.31 C ATOM 200 O LYS A 23 -19.753 -10.899 21.493 1.00 17.22 O ATOM 201 CB LYS A 23 -17.871 -10.168 19.159 1.00 22.49 C ATOM 202 CG LYS A 23 -17.913 -8.889 18.373 1.00 25.51 C ATOM 203 CD LYS A 23 -17.889 -9.173 16.888 1.00 30.68 C ATOM 204 CE LYS A 23 -18.286 -7.933 16.103 1.00 32.86 C ATOM 205 NZ LYS A 23 -18.941 -8.357 14.845 1.00 38.54 N ATOM 206 HZ1 LYS A 23 -18.278 -8.932 14.287 1.00 0.00 H ATOM 207 HZ2 LYS A 23 -19.786 -8.920 15.068 1.00 0.00 H ATOM 208 HZ3 LYS A 23 -19.217 -7.516 14.299 1.00 0.00 H ATOM 209 H LYS A 23 -16.796 -11.852 20.755 1.00 0.00 H ATOM 210 N LYS A 24 -19.590 -8.676 21.654 1.00 19.24 N ATOM 211 CA LYS A 24 -20.866 -8.529 22.342 1.00 23.66 C ATOM 212 C LYS A 24 -22.054 -8.537 21.378 1.00 23.75 C ATOM 213 O LYS A 24 -23.095 -9.006 21.734 1.00 27.04 O ATOM 214 CB LYS A 24 -20.915 -7.232 23.172 1.00 26.88 C ATOM 215 CG LYS A 24 -22.244 -7.049 23.925 1.00 31.54 C ATOM 216 CD LYS A 24 -22.102 -6.395 25.310 1.00 36.90 C ATOM 217 CE LYS A 24 -23.471 -6.107 25.905 1.00 37.88 C ATOM 218 NZ LYS A 24 -23.421 -4.996 26.892 1.00 41.60 N ATOM 219 HZ1 LYS A 24 -22.775 -5.250 27.666 1.00 0.00 H ATOM 220 HZ2 LYS A 24 -23.080 -4.133 26.423 1.00 0.00 H ATOM 221 HZ3 LYS A 24 -24.374 -4.831 27.275 1.00 0.00 H ATOM 222 H LYS A 24 -19.039 -7.826 21.419 1.00 0.00 H ATOM 223 N ARG A 25 -21.904 -7.976 20.190 1.00 24.66 N ATOM 224 CA ARG A 25 -23.021 -7.903 19.232 1.00 26.82 C ATOM 225 C ARG A 25 -22.568 -8.076 17.820 1.00 26.49 C ATOM 226 O ARG A 25 -21.402 -7.876 17.500 1.00 26.88 O ATOM 227 CB ARG A 25 -23.669 -6.512 19.210 1.00 30.44 C ATOM 228 CG ARG A 25 -23.924 -5.868 20.519 1.00 32.29 C ATOM 229 CD ARG A 25 -24.557 -4.511 20.266 1.00 32.65 C ATOM 230 NE ARG A 25 -24.951 -3.994 21.566 1.00 33.93 N ATOM 231 CZ ARG A 25 -24.116 -3.452 22.447 1.00 35.10 C ATOM 232 NH1 ARG A 25 -22.834 -3.291 22.155 1.00 34.78 N ATOM 233 NH2 ARG A 25 -24.585 -3.036 23.621 1.00 36.81 N ATOM 234 HE ARG A 25 -25.957 -4.052 21.825 1.00 0.00 H ATOM 235 HH12 ARG A 25 -22.191 -2.866 22.853 1.00 0.00 H ATOM 236 HH11 ARG A 25 -22.470 -3.590 21.228 1.00 0.00 H ATOM 237 HH22 ARG A 25 -23.940 -2.611 24.317 1.00 0.00 H ATOM 238 HH21 ARG A 25 -25.596 -3.136 23.842 1.00 0.00 H ATOM 239 H ARG A 25 -20.980 -7.579 19.927 1.00 0.00 H ATOM 240 N GLY A 26 -23.537 -8.355 16.955 1.00 23.65 N ATOM 241 CA GLY A 26 -23.290 -8.406 15.539 1.00 24.36 C ATOM 242 C GLY A 26 -22.710 -9.744 15.133 1.00 23.54 C ATOM 243 O GLY A 26 -22.887 -10.750 15.831 1.00 23.65 O ATOM 244 H GLY A 26 -24.497 -8.541 17.310 1.00 0.00 H ATOM 245 N PHE A 27 -22.029 -9.732 14.000 1.00 23.16 N ATOM 246 CA PHE A 27 -21.496 -10.961 13.407 1.00 24.74 C ATOM 247 C PHE A 27 -20.448 -11.580 14.352 1.00 23.33 C ATOM 248 O PHE A 27 -19.467 -10.927 14.690 1.00 24.28 O ATOM 249 CB PHE A 27 -20.856 -10.660 12.052 1.00 26.81 C ATOM 250 CG PHE A 27 -20.459 -11.892 11.297 1.00 29.61 C ATOM 251 CD1 PHE A 27 -21.433 -12.695 10.721 1.00 30.67 C ATOM 252 CD2 PHE A 27 -19.118 -12.269 11.210 1.00 30.80 C ATOM 253 CE1 PHE A 27 -21.089 -13.841 10.037 1.00 30.43 C ATOM 254 CE2 PHE A 27 -18.769 -13.410 10.526 1.00 32.70 C ATOM 255 CZ PHE A 27 -19.759 -14.188 9.932 1.00 29.91 C ATOM 256 H PHE A 27 -21.867 -8.826 13.517 1.00 0.00 H ATOM 257 N GLY A 28 -20.676 -12.829 14.754 1.00 21.31 N ATOM 258 CA GLY A 28 -19.784 -13.545 15.666 1.00 20.65 C ATOM 259 C GLY A 28 -20.045 -13.302 17.147 1.00 19.50 C ATOM 260 O GLY A 28 -19.256 -13.698 17.973 1.00 18.32 O ATOM 261 H GLY A 28 -21.525 -13.317 14.404 1.00 0.00 H ATOM 262 N ALA A 29 -21.132 -12.603 17.500 1.00 19.25 N ATOM 263 CA ALA A 29 -21.401 -12.294 18.908 1.00 19.50 C ATOM 264 C ALA A 29 -21.415 -13.596 19.694 1.00 18.72 C ATOM 265 O ALA A 29 -21.992 -14.594 19.231 1.00 19.71 O ATOM 266 CB ALA A 29 -22.756 -11.613 19.048 1.00 21.20 C ATOM 267 H ALA A 29 -21.793 -12.276 16.767 1.00 0.00 H ATOM 268 N GLY A 30 -20.853 -13.594 20.881 1.00 16.37 N ATOM 269 CA GLY A 30 -20.916 -14.712 21.745 1.00 16.39 C ATOM 270 C GLY A 30 -19.784 -15.709 21.550 1.00 14.76 C ATOM 271 O GLY A 30 -19.719 -16.718 22.249 1.00 16.73 O ATOM 272 H GLY A 30 -20.345 -12.743 21.196 1.00 0.00 H ATOM 273 N ARG A 31 -18.924 -15.489 20.555 1.00 12.98 N ATOM 274 CA ARG A 31 -17.749 -16.349 20.403 1.00 12.70 C ATOM 275 C ARG A 31 -16.476 -15.602 20.711 1.00 11.62 C ATOM 276 O ARG A 31 -16.420 -14.392 20.453 1.00 14.18 O ATOM 277 CB ARG A 31 -17.695 -16.844 18.986 1.00 12.84 C ATOM 278 CG ARG A 31 -18.708 -17.950 18.760 1.00 15.67 C ATOM 279 CD ARG A 31 -18.903 -18.312 17.304 1.00 17.67 C ATOM 280 NE ARG A 31 -19.491 -19.668 17.239 1.00 19.23 N ATOM 281 CZ ARG A 31 -20.031 -20.207 16.138 1.00 21.47 C ATOM 282 NH1 ARG A 31 -20.059 -19.538 15.008 1.00 21.69 N ATOM 283 NH2 ARG A 31 -20.527 -21.445 16.176 1.00 24.31 N ATOM 284 HE ARG A 31 -19.485 -20.241 18.107 1.00 0.00 H ATOM 285 HH12 ARG A 31 -20.481 -19.967 14.160 1.00 0.00 H ATOM 286 HH11 ARG A 31 -19.659 -18.579 14.961 1.00 0.00 H ATOM 287 HH22 ARG A 31 -20.946 -21.864 15.321 1.00 0.00 H ATOM 288 HH21 ARG A 31 -20.494 -21.991 17.060 1.00 0.00 H ATOM 289 H ARG A 31 -19.088 -14.708 19.888 1.00 0.00 H ATOM 290 N TRP A 32 -15.462 -16.331 21.156 1.00 10.24 N ATOM 291 CA TRP A 32 -14.096 -15.804 21.211 1.00 10.09 C ATOM 292 C TRP A 32 -13.469 -15.845 19.818 1.00 9.79 C ATOM 293 O TRP A 32 -13.669 -16.819 19.108 1.00 10.25 O ATOM 294 CB TRP A 32 -13.228 -16.649 22.139 1.00 10.40 C ATOM 295 CG TRP A 32 -13.706 -16.644 23.565 1.00 10.60 C ATOM 296 CD1 TRP A 32 -14.429 -17.635 24.163 1.00 12.53 C ATOM 297 CD2 TRP A 32 -13.515 -15.630 24.530 1.00 10.44 C ATOM 298 NE1 TRP A 32 -14.702 -17.308 25.461 1.00 12.91 N ATOM 299 CE2 TRP A 32 -14.177 -16.059 25.711 1.00 11.81 C ATOM 300 CE3 TRP A 32 -12.807 -14.418 24.551 1.00 10.84 C ATOM 301 CZ2 TRP A 32 -14.168 -15.312 26.878 1.00 12.08 C ATOM 302 CZ3 TRP A 32 -12.854 -13.662 25.724 1.00 11.22 C ATOM 303 CH2 TRP A 32 -13.542 -14.115 26.837 1.00 11.43 C ATOM 304 HE1 TRP A 32 -15.217 -17.900 26.143 1.00 0.00 H ATOM 305 H TRP A 32 -15.641 -17.304 21.475 1.00 0.00 H ATOM 306 N ASN A 33 -12.697 -14.825 19.467 1.00 9.54 N ATOM 307 CA ASN A 33 -12.014 -14.783 18.167 1.00 9.50 C ATOM 308 C ASN A 33 -10.851 -13.830 18.270 1.00 9.72 C ATOM 309 O ASN A 33 -10.725 -13.121 19.272 1.00 9.51 O ATOM 310 CB ASN A 33 -12.985 -14.320 17.100 1.00 10.19 C ATOM 311 CG ASN A 33 -12.611 -14.724 15.674 1.00 11.01 C ATOM 312 OD1 ASN A 33 -11.567 -15.334 15.405 1.00 10.78 O ATOM 313 ND2 ASN A 33 -13.526 -14.406 14.744 1.00 12.76 N ATOM 314 HD22 ASN A 33 -14.388 -13.893 15.017 1.00 0.00 H ATOM 315 HD21 ASN A 33 -13.372 -14.673 13.751 1.00 0.00 H ATOM 316 H ASN A 33 -12.572 -14.034 20.130 1.00 0.00 H ATOM 317 N GLY A 34 -10.059 -13.769 17.202 1.00 10.03 N ATOM 318 CA GLY A 34 -9.088 -12.730 17.027 1.00 9.86 C ATOM 319 C GLY A 34 -9.818 -11.444 16.666 1.00 9.58 C ATOM 320 O GLY A 34 -11.082 -11.337 16.658 1.00 10.01 O ATOM 321 H GLY A 34 -10.148 -14.501 16.469 1.00 0.00 H ATOM 322 N PHE A 35 -9.015 -10.424 16.460 1.00 9.46 N ATOM 323 CA PHE A 35 -9.499 -9.070 16.182 1.00 9.79 C ATOM 324 C PHE A 35 -9.435 -8.734 14.713 1.00 11.34 C ATOM 325 O PHE A 35 -8.482 -9.040 14.051 1.00 11.50 O ATOM 326 CB PHE A 35 -8.686 -8.052 17.001 1.00 10.33 C ATOM 327 CG PHE A 35 -8.725 -8.332 18.452 1.00 10.41 C ATOM 328 CD1 PHE A 35 -9.809 -7.978 19.222 1.00 11.10 C ATOM 329 CD2 PHE A 35 -7.721 -9.091 19.028 1.00 11.09 C ATOM 330 CE1 PHE A 35 -9.870 -8.321 20.560 1.00 10.44 C ATOM 331 CE2 PHE A 35 -7.762 -9.438 20.364 1.00 12.05 C ATOM 332 CZ PHE A 35 -8.860 -9.065 21.130 1.00 11.35 C ATOM 333 H PHE A 35 -7.988 -10.586 16.496 1.00 0.00 H ATOM 334 N GLY A 36 -10.487 -8.153 14.167 1.00 11.23 N ATOM 335 CA GLY A 36 -10.432 -7.817 12.746 1.00 12.66 C ATOM 336 C GLY A 36 -11.722 -7.304 12.221 1.00 13.45 C ATOM 337 O GLY A 36 -12.631 -6.990 12.978 1.00 15.65 O ATOM 338 H GLY A 36 -11.333 -7.940 14.733 1.00 0.00 H ATOM 339 N GLY A 37 -11.791 -7.215 10.913 1.00 13.01 N ATOM 340 CA GLY A 37 -12.974 -6.649 10.276 1.00 13.20 C ATOM 341 C GLY A 37 -12.671 -6.315 8.827 1.00 13.08 C ATOM 342 O GLY A 37 -11.714 -6.820 8.266 1.00 12.19 O ATOM 343 H GLY A 37 -10.998 -7.550 10.329 1.00 0.00 H ATOM 344 N LYS A 38 -13.554 -5.505 8.240 1.00 13.35 N ATOM 345 CA LYS A 38 -13.455 -5.166 6.823 1.00 14.82 C ATOM 346 C LYS A 38 -12.282 -4.221 6.571 1.00 14.88 C ATOM 347 O LYS A 38 -11.877 -3.488 7.431 1.00 17.51 O ATOM 348 CB LYS A 38 -14.758 -4.466 6.383 1.00 17.46 C ATOM 349 CG LYS A 38 -15.924 -5.416 6.433 1.00 22.28 C ATOM 350 CD LYS A 38 -17.236 -4.693 6.233 1.00 28.48 C ATOM 351 CE LYS A 38 -18.314 -5.674 5.796 1.00 32.03 C ATOM 352 NZ LYS A 38 -19.581 -4.930 5.554 1.00 38.36 N ATOM 353 HZ1 LYS A 38 -19.875 -4.454 6.431 1.00 0.00 H ATOM 354 HZ2 LYS A 38 -19.429 -4.222 4.808 1.00 0.00 H ATOM 355 HZ3 LYS A 38 -20.321 -5.596 5.255 1.00 0.00 H ATOM 356 H LYS A 38 -14.331 -5.106 8.805 1.00 0.00 H ATOM 357 N VAL A 39 -11.670 -4.367 5.412 1.00 15.87 N ATOM 358 CA VAL A 39 -10.606 -3.486 4.968 1.00 14.97 C ATOM 359 C VAL A 39 -11.297 -2.347 4.213 1.00 17.97 C ATOM 360 O VAL A 39 -12.253 -2.600 3.448 1.00 19.01 O ATOM 361 CB VAL A 39 -9.670 -4.247 4.006 1.00 15.70 C ATOM 362 CG1 VAL A 39 -8.503 -3.366 3.589 1.00 15.88 C ATOM 363 CG2 VAL A 39 -9.083 -5.511 4.655 1.00 14.45 C ATOM 364 H VAL A 39 -11.963 -5.147 4.790 1.00 0.00 H ATOM 365 N GLN A 40 -10.785 -1.156 4.412 1.00 17.10 N ATOM 366 CA GLN A 40 -11.375 0.066 3.850 1.00 18.41 C ATOM 367 C GLN A 40 -10.797 0.415 2.492 1.00 17.46 C ATOM 368 O GLN A 40 -9.730 -0.052 2.088 1.00 15.34 O ATOM 369 CB GLN A 40 -11.188 1.258 4.763 1.00 19.80 C ATOM 370 CG GLN A 40 -11.937 1.108 6.073 1.00 24.17 C ATOM 371 CD GLN A 40 -11.608 2.157 7.115 1.00 29.07 C ATOM 372 OE1 GLN A 40 -10.733 3.020 6.960 1.00 34.20 O ATOM 373 NE2 GLN A 40 -12.323 2.061 8.233 1.00 37.07 N ATOM 374 HE22 GLN A 40 -13.049 1.322 8.324 1.00 0.00 H ATOM 375 HE21 GLN A 40 -12.156 2.725 9.016 1.00 0.00 H ATOM 376 H GLN A 40 -9.926 -1.073 4.992 1.00 0.00 H ATOM 377 N GLU A 41 -11.545 1.272 1.809 1.00 16.91 N ATOM 378 CA GLU A 41 -11.087 1.884 0.568 1.00 17.51 C ATOM 379 C GLU A 41 -9.776 2.629 0.773 1.00 16.26 C ATOM 380 O GLU A 41 -9.644 3.403 1.714 1.00 16.06 O ATOM 381 CB GLU A 41 -12.170 2.825 0.011 1.00 19.58 C ATOM 382 CG GLU A 41 -13.350 2.039 -0.523 1.00 22.21 C ATOM 383 CD GLU A 41 -14.512 2.871 -1.035 1.00 28.54 C ATOM 384 OE1 GLU A 41 -14.449 4.133 -1.006 1.00 34.43 O ATOM 385 OE2 GLU A 41 -15.531 2.243 -1.467 1.00 30.24 O ATOM 386 H GLU A 41 -12.489 1.515 2.171 1.00 0.00 H ATOM 387 N GLY A 42 -8.776 2.318 -0.063 1.00 16.79 N ATOM 388 CA GLY A 42 -7.505 3.031 0.009 1.00 17.08 C ATOM 389 C GLY A 42 -6.552 2.636 1.119 1.00 17.50 C ATOM 390 O GLY A 42 -5.545 3.275 1.320 1.00 20.04 O ATOM 391 H GLY A 42 -8.907 1.564 -0.767 1.00 0.00 H ATOM 392 N GLU A 43 -6.901 1.566 1.830 1.00 17.10 N ATOM 393 CA GLU A 43 -6.101 1.009 2.889 1.00 17.80 C ATOM 394 C GLU A 43 -5.531 -0.318 2.429 1.00 16.91 C ATOM 395 O GLU A 43 -6.248 -1.089 1.845 1.00 16.77 O ATOM 396 CB GLU A 43 -7.063 0.782 4.052 1.00 20.23 C ATOM 397 CG GLU A 43 -6.462 0.380 5.338 1.00 21.98 C ATOM 398 CD GLU A 43 -7.534 0.189 6.410 1.00 19.46 C ATOM 399 OE1 GLU A 43 -7.337 0.790 7.469 1.00 22.67 O ATOM 400 OE2 GLU A 43 -8.501 -0.591 6.210 1.00 19.57 O ATOM 401 H GLU A 43 -7.806 1.105 1.607 1.00 0.00 H ATOM 402 N THR A 44 -4.246 -0.582 2.660 1.00 16.25 N ATOM 403 CA THR A 44 -3.745 -1.943 2.462 1.00 16.72 C ATOM 404 C THR A 44 -4.342 -2.922 3.499 1.00 15.23 C ATOM 405 O THR A 44 -4.785 -2.547 4.591 1.00 15.02 O ATOM 406 CB THR A 44 -2.216 -2.074 2.564 1.00 18.03 C ATOM 407 OG1 THR A 44 -1.791 -1.727 3.870 1.00 19.49 O ATOM 408 CG2 THR A 44 -1.538 -1.152 1.582 1.00 20.35 C ATOM 409 HG1 THR A 44 -0.807 -1.813 3.929 1.00 0.00 H ATOM 410 H THR A 44 -3.604 0.172 2.978 1.00 0.00 H ATOM 411 N ILE A 45 -4.302 -4.177 3.128 1.00 14.48 N ATOM 412 CA ILE A 45 -4.790 -5.263 4.039 1.00 15.83 C ATOM 413 C ILE A 45 -4.062 -5.237 5.399 1.00 16.44 C ATOM 414 O ILE A 45 -4.685 -5.196 6.450 1.00 15.12 O ATOM 415 CB ILE A 45 -4.687 -6.619 3.358 1.00 15.70 C ATOM 416 CG1 ILE A 45 -5.614 -6.712 2.143 1.00 17.65 C ATOM 417 CG2 ILE A 45 -5.028 -7.751 4.333 1.00 16.93 C ATOM 418 CD1 ILE A 45 -5.368 -7.930 1.328 1.00 17.06 C ATOM 419 H ILE A 45 -3.927 -4.424 2.190 1.00 0.00 H ATOM 420 N GLU A 46 -2.735 -5.136 5.383 1.00 17.97 N ATOM 421 CA GLU A 46 -1.992 -5.004 6.626 1.00 19.05 C ATOM 422 C GLU A 46 -2.324 -3.750 7.443 1.00 17.50 C ATOM 423 O GLU A 46 -2.422 -3.787 8.646 1.00 16.09 O ATOM 424 CB GLU A 46 -0.497 -5.052 6.330 1.00 22.65 C ATOM 425 CG GLU A 46 0.348 -5.047 7.589 1.00 26.36 C ATOM 426 CD GLU A 46 1.823 -5.100 7.259 1.00 30.76 C ATOM 427 OE1 GLU A 46 2.166 -5.824 6.304 1.00 34.49 O ATOM 428 OE2 GLU A 46 2.605 -4.400 7.933 1.00 39.82 O ATOM 429 H GLU A 46 -2.226 -5.152 4.476 1.00 0.00 H ATOM 430 N ASP A 47 -2.513 -2.593 6.794 1.00 17.44 N ATOM 431 CA ASP A 47 -2.879 -1.420 7.559 1.00 18.30 C ATOM 432 C ASP A 47 -4.292 -1.570 8.148 1.00 15.14 C ATOM 433 O ASP A 47 -4.535 -1.107 9.254 1.00 16.83 O ATOM 434 CB ASP A 47 -2.786 -0.133 6.709 1.00 19.94 C ATOM 435 CG ASP A 47 -1.326 0.302 6.446 1.00 23.94 C ATOM 436 OD1 ASP A 47 -0.407 -0.247 7.056 1.00 30.58 O ATOM 437 OD2 ASP A 47 -1.093 1.192 5.613 1.00 28.46 O ATOM 438 H ASP A 47 -2.399 -2.539 5.762 1.00 0.00 H ATOM 439 N GLY A 48 -5.166 -2.281 7.425 1.00 14.71 N ATOM 440 CA GLY A 48 -6.489 -2.626 7.886 1.00 14.76 C ATOM 441 C GLY A 48 -6.419 -3.512 9.117 1.00 14.33 C ATOM 442 O GLY A 48 -7.110 -3.279 10.089 1.00 12.89 O ATOM 443 H GLY A 48 -4.876 -2.602 6.479 1.00 0.00 H ATOM 444 N ALA A 49 -5.510 -4.468 9.066 1.00 14.43 N ATOM 445 CA ALA A 49 -5.321 -5.387 10.196 1.00 14.07 C ATOM 446 C ALA A 49 -4.809 -4.663 11.444 1.00 13.94 C ATOM 447 O ALA A 49 -5.323 -4.850 12.543 1.00 13.80 O ATOM 448 CB ALA A 49 -4.417 -6.532 9.766 1.00 13.91 C ATOM 449 H ALA A 49 -4.921 -4.572 8.215 1.00 0.00 H ATOM 450 N ARG A 50 -3.849 -3.753 11.272 1.00 13.63 N ATOM 451 CA ARG A 50 -3.358 -2.975 12.380 1.00 14.94 C ATOM 452 C ARG A 50 -4.420 -2.077 13.007 1.00 14.70 C ATOM 453 O ARG A 50 -4.524 -1.982 14.190 1.00 14.16 O ATOM 454 CB ARG A 50 -2.158 -2.132 11.902 1.00 18.18 C ATOM 455 CG ARG A 50 -1.613 -1.175 12.944 1.00 22.65 C ATOM 456 CD ARG A 50 -0.393 -0.408 12.389 1.00 26.92 C ATOM 457 NE ARG A 50 0.712 -1.317 12.097 1.00 31.16 N ATOM 458 CZ ARG A 50 1.021 -1.861 10.920 1.00 31.36 C ATOM 459 NH1 ARG A 50 0.315 -1.620 9.820 1.00 37.37 N ATOM 460 NH2 ARG A 50 2.062 -2.688 10.867 1.00 33.77 N ATOM 461 HE ARG A 50 1.327 -1.568 12.897 1.00 0.00 H ATOM 462 HH12 ARG A 50 0.588 -2.063 8.920 1.00 0.00 H ATOM 463 HH11 ARG A 50 -0.510 -0.988 9.860 1.00 0.00 H ATOM 464 HH22 ARG A 50 2.330 -3.129 9.964 1.00 0.00 H ATOM 465 HH21 ARG A 50 2.608 -2.893 11.728 1.00 0.00 H ATOM 466 H ARG A 50 -3.449 -3.603 10.324 1.00 0.00 H ATOM 467 N ARG A 51 -5.207 -1.409 12.173 1.00 13.80 N ATOM 468 CA ARG A 51 -6.282 -0.565 12.624 1.00 15.53 C ATOM 469 C ARG A 51 -7.347 -1.292 13.432 1.00 15.01 C ATOM 470 O ARG A 51 -7.759 -0.848 14.480 1.00 15.06 O ATOM 471 CB ARG A 51 -6.961 0.096 11.408 1.00 16.23 C ATOM 472 CG ARG A 51 -8.146 0.951 11.765 1.00 18.01 C ATOM 473 CD ARG A 51 -8.812 1.565 10.519 1.00 18.49 C ATOM 474 NE ARG A 51 -9.091 0.579 9.495 1.00 18.38 N ATOM 475 CZ ARG A 51 -10.115 -0.272 9.505 1.00 19.79 C ATOM 476 NH1 ARG A 51 -11.023 -0.244 10.492 1.00 20.98 N ATOM 477 NH2 ARG A 51 -10.236 -1.167 8.528 1.00 20.04 N ATOM 478 HE ARG A 51 -8.439 0.532 8.686 1.00 0.00 H ATOM 479 HH12 ARG A 51 -11.818 -0.915 10.487 1.00 0.00 H ATOM 480 HH11 ARG A 51 -10.932 0.449 11.263 1.00 0.00 H ATOM 481 HH22 ARG A 51 -11.034 -1.834 8.530 1.00 0.00 H ATOM 482 HH21 ARG A 51 -9.533 -1.199 7.762 1.00 0.00 H ATOM 483 H ARG A 51 -5.040 -1.499 11.150 1.00 0.00 H ATOM 484 N GLU A 52 -7.762 -2.435 12.925 1.00 15.86 N ATOM 485 CA GLU A 52 -8.794 -3.218 13.613 1.00 16.68 C ATOM 486 C GLU A 52 -8.300 -3.772 14.939 1.00 14.71 C ATOM 487 O GLU A 52 -9.018 -3.734 15.910 1.00 14.25 O ATOM 488 CB GLU A 52 -9.285 -4.321 12.706 1.00 20.33 C ATOM 489 CG GLU A 52 -10.098 -3.787 11.539 1.00 23.89 C ATOM 490 CD GLU A 52 -11.556 -3.565 11.870 1.00 30.04 C ATOM 491 OE1 GLU A 52 -11.947 -3.637 13.049 1.00 33.15 O ATOM 492 OE2 GLU A 52 -12.318 -3.299 10.918 1.00 36.46 O ATOM 493 H GLU A 52 -7.356 -2.784 12.033 1.00 0.00 H ATOM 494 N LEU A 53 -7.044 -4.252 14.994 1.00 14.53 N ATOM 495 CA LEU A 53 -6.470 -4.647 16.279 1.00 15.70 C ATOM 496 C LEU A 53 -6.516 -3.505 17.266 1.00 16.36 C ATOM 497 O LEU A 53 -6.963 -3.661 18.363 1.00 15.40 O ATOM 498 CB LEU A 53 -5.039 -5.169 16.123 1.00 16.71 C ATOM 499 CG LEU A 53 -4.426 -5.585 17.471 1.00 18.00 C ATOM 500 CD1 LEU A 53 -5.152 -6.820 18.002 1.00 18.09 C ATOM 501 CD2 LEU A 53 -2.971 -5.841 17.325 1.00 19.74 C ATOM 502 H LEU A 53 -6.482 -4.342 14.123 1.00 0.00 H ATOM 503 N GLN A 54 -6.089 -2.320 16.813 1.00 17.94 N ATOM 504 CA GLN A 54 -5.999 -1.157 17.640 1.00 20.83 C ATOM 505 C GLN A 54 -7.390 -0.701 18.099 1.00 20.20 C ATOM 506 O GLN A 54 -7.645 -0.575 19.291 1.00 21.41 O ATOM 507 CB GLN A 54 -5.088 -0.122 16.920 1.00 22.39 C ATOM 508 CG GLN A 54 -3.612 -0.661 16.693 1.00 24.25 C ATOM 509 CD GLN A 54 -2.573 0.356 16.164 1.00 25.86 C ATOM 510 OE1 GLN A 54 -1.334 0.132 16.279 1.00 28.97 O ATOM 511 NE2 GLN A 54 -3.035 1.426 15.603 1.00 26.16 N ATOM 512 HE22 GLN A 54 -4.062 1.572 15.528 1.00 0.00 H ATOM 513 HE21 GLN A 54 -2.379 2.140 15.226 1.00 0.00 H ATOM 514 H GLN A 54 -5.810 -2.242 15.814 1.00 0.00 H ATOM 515 N GLU A 55 -8.348 -0.612 17.173 1.00 18.81 N ATOM 516 CA GLU A 55 -9.738 -0.221 17.476 1.00 20.57 C ATOM 517 C GLU A 55 -10.480 -1.164 18.394 1.00 20.32 C ATOM 518 O GLU A 55 -11.182 -0.735 19.281 1.00 20.77 O ATOM 519 CB GLU A 55 -10.571 -0.065 16.187 1.00 24.34 C ATOM 520 CG GLU A 55 -10.128 1.101 15.306 1.00 29.05 C ATOM 521 CD GLU A 55 -10.927 1.241 14.000 1.00 33.20 C ATOM 522 OE1 GLU A 55 -11.858 0.443 13.749 1.00 37.74 O ATOM 523 OE2 GLU A 55 -10.628 2.159 13.218 1.00 38.44 O ATOM 524 H GLU A 55 -8.101 -0.830 16.186 1.00 0.00 H ATOM 525 N GLU A 56 -10.292 -2.474 18.204 1.00 17.87 N ATOM 526 CA GLU A 56 -11.074 -3.466 18.922 1.00 17.00 C ATOM 527 C GLU A 56 -10.427 -3.909 20.258 1.00 16.68 C ATOM 528 O GLU A 56 -11.132 -4.327 21.191 1.00 18.06 O ATOM 529 CB GLU A 56 -11.270 -4.704 18.063 1.00 17.31 C ATOM 530 CG GLU A 56 -12.144 -4.394 16.867 1.00 18.72 C ATOM 531 CD GLU A 56 -12.331 -5.563 15.972 1.00 21.49 C ATOM 532 OE1 GLU A 56 -11.907 -6.712 16.301 1.00 18.23 O ATOM 533 OE2 GLU A 56 -12.978 -5.307 14.928 1.00 27.35 O ATOM 534 H GLU A 56 -9.569 -2.790 17.526 1.00 0.00 H ATOM 535 N SER A 57 -9.095 -3.909 20.327 1.00 15.87 N ATOM 536 CA SER A 57 -8.434 -4.409 21.524 1.00 15.78 C ATOM 537 C SER A 57 -7.826 -3.343 22.374 1.00 16.18 C ATOM 538 O SER A 57 -7.533 -3.623 23.512 1.00 17.81 O ATOM 539 CB SER A 57 -7.343 -5.414 21.168 1.00 16.18 C ATOM 540 OG SER A 57 -6.156 -4.797 20.746 1.00 14.73 O ATOM 541 HG SER A 57 -6.338 -4.249 19.942 1.00 0.00 H ATOM 542 H SER A 57 -8.531 -3.553 19.529 1.00 0.00 H ATOM 543 N GLY A 58 -7.547 -2.182 21.791 1.00 16.16 N ATOM 544 CA GLY A 58 -6.854 -1.086 22.479 1.00 17.12 C ATOM 545 C GLY A 58 -5.345 -1.186 22.423 1.00 18.85 C ATOM 546 O GLY A 58 -4.644 -0.262 22.913 1.00 18.14 O ATOM 547 H GLY A 58 -7.833 -2.043 20.801 1.00 0.00 H ATOM 548 N LEU A 59 -4.805 -2.289 21.893 1.00 17.29 N ATOM 549 CA LEU A 59 -3.351 -2.431 21.819 1.00 16.69 C ATOM 550 C LEU A 59 -2.756 -1.653 20.679 1.00 18.46 C ATOM 551 O LEU A 59 -3.416 -1.436 19.679 1.00 23.21 O ATOM 552 CB LEU A 59 -2.945 -3.893 21.643 1.00 16.79 C ATOM 553 CG LEU A 59 -3.348 -4.807 22.765 1.00 15.62 C ATOM 554 CD1 LEU A 59 -3.117 -6.293 22.448 1.00 16.39 C ATOM 555 CD2 LEU A 59 -2.679 -4.410 24.086 1.00 16.19 C ATOM 556 H LEU A 59 -5.420 -3.047 21.533 1.00 0.00 H ATOM 557 N THR A 60 -1.481 -1.297 20.799 1.00 18.56 N ATOM 558 CA THR A 60 -0.686 -0.762 19.680 1.00 19.90 C ATOM 559 C THR A 60 0.247 -1.824 19.159 1.00 19.95 C ATOM 560 O THR A 60 1.000 -2.408 19.936 1.00 18.70 O ATOM 561 CB THR A 60 0.122 0.455 20.139 1.00 20.32 C ATOM 562 OG1 THR A 60 -0.802 1.490 20.456 1.00 23.07 O ATOM 563 CG2 THR A 60 1.104 0.934 19.053 1.00 22.68 C ATOM 564 HG1 THR A 60 -0.306 2.292 20.757 1.00 0.00 H ATOM 565 H THR A 60 -1.023 -1.401 21.727 1.00 0.00 H ATOM 566 N VAL A 61 0.193 -2.099 17.849 1.00 20.99 N ATOM 567 CA VAL A 61 1.020 -3.151 17.274 1.00 24.81 C ATOM 568 C VAL A 61 2.085 -2.514 16.422 1.00 26.16 C ATOM 569 O VAL A 61 1.811 -1.595 15.672 1.00 28.95 O ATOM 570 CB VAL A 61 0.248 -4.247 16.485 1.00 25.76 C ATOM 571 CG1 VAL A 61 -0.544 -3.680 15.314 1.00 27.10 C ATOM 572 CG2 VAL A 61 1.194 -5.310 15.951 1.00 26.86 C ATOM 573 H VAL A 61 -0.447 -1.555 17.236 1.00 0.00 H ATOM 574 N ASP A 62 3.276 -3.064 16.539 1.00 30.87 N ATOM 575 CA ASP A 62 4.393 -2.691 15.708 1.00 37.77 C ATOM 576 C ASP A 62 4.387 -3.710 14.520 1.00 34.96 C ATOM 577 O ASP A 62 3.602 -3.544 13.559 1.00 39.51 O ATOM 578 CB ASP A 62 5.665 -2.656 16.590 1.00 41.15 C ATOM 579 CG ASP A 62 5.407 -2.002 17.980 1.00 49.33 C ATOM 580 OD1 ASP A 62 4.808 -0.884 18.049 1.00 55.04 O ATOM 581 OD2 ASP A 62 5.773 -2.629 19.008 1.00 51.46 O ATOM 582 H ASP A 62 3.416 -3.799 17.262 1.00 0.00 H ATOM 583 N ALA A 63 5.169 -4.782 14.584 1.00 31.72 N ATOM 584 CA ALA A 63 5.275 -5.711 13.449 1.00 28.53 C ATOM 585 C ALA A 63 4.078 -6.678 13.442 1.00 22.82 C ATOM 586 O ALA A 63 3.695 -7.176 14.516 1.00 23.86 O ATOM 587 CB ALA A 63 6.583 -6.495 13.511 1.00 28.33 C ATOM 588 H ALA A 63 5.714 -4.967 15.450 1.00 0.00 H ATOM 589 N LEU A 64 3.490 -6.866 12.261 1.00 21.14 N ATOM 590 CA LEU A 64 2.494 -7.934 11.980 1.00 19.20 C ATOM 591 C LEU A 64 3.091 -8.917 10.998 1.00 19.71 C ATOM 592 O LEU A 64 3.786 -8.508 10.086 1.00 22.91 O ATOM 593 CB LEU A 64 1.211 -7.376 11.309 1.00 21.19 C ATOM 594 CG LEU A 64 0.203 -6.650 12.143 1.00 22.87 C ATOM 595 CD1 LEU A 64 -0.867 -6.003 11.270 1.00 25.38 C ATOM 596 CD2 LEU A 64 -0.390 -7.608 13.144 1.00 23.01 C ATOM 597 H LEU A 64 3.745 -6.223 11.484 1.00 0.00 H ATOM 598 N HIS A 65 2.793 -10.196 11.146 1.00 16.42 N ATOM 599 CA HIS A 65 3.296 -11.241 10.264 1.00 19.14 C ATOM 600 C HIS A 65 2.108 -11.902 9.614 1.00 17.35 C ATOM 601 O HIS A 65 1.189 -12.273 10.293 1.00 14.84 O ATOM 602 CB HIS A 65 4.137 -12.250 11.048 1.00 20.66 C ATOM 603 CG HIS A 65 5.361 -11.627 11.632 1.00 28.11 C ATOM 604 ND1 HIS A 65 5.433 -11.200 12.944 1.00 32.59 N ATOM 605 CD2 HIS A 65 6.539 -11.291 11.057 1.00 31.89 C ATOM 606 CE1 HIS A 65 6.611 -10.638 13.156 1.00 35.28 C ATOM 607 NE2 HIS A 65 7.306 -10.691 12.029 1.00 35.56 N ATOM 608 H HIS A 65 2.168 -10.470 11.931 1.00 0.00 H ATOM 609 N LYS A 66 2.121 -12.016 8.293 1.00 18.42 N ATOM 610 CA LYS A 66 1.111 -12.785 7.585 1.00 19.28 C ATOM 611 C LYS A 66 1.215 -14.220 7.930 1.00 17.93 C ATOM 612 O LYS A 66 2.303 -14.819 7.850 1.00 17.96 O ATOM 613 CB LYS A 66 1.375 -12.738 6.078 1.00 23.41 C ATOM 614 CG LYS A 66 1.095 -11.433 5.440 1.00 27.81 C ATOM 615 CD LYS A 66 1.405 -11.532 3.942 1.00 30.87 C ATOM 616 CE LYS A 66 2.890 -11.420 3.631 1.00 33.52 C ATOM 617 NZ LYS A 66 3.052 -11.118 2.179 1.00 38.55 N ATOM 618 HZ1 LYS A 66 2.629 -11.885 1.617 1.00 0.00 H ATOM 619 HZ2 LYS A 66 2.575 -10.221 1.957 1.00 0.00 H ATOM 620 HZ3 LYS A 66 4.064 -11.039 1.953 1.00 0.00 H ATOM 621 H LYS A 66 2.872 -11.544 7.750 1.00 0.00 H ATOM 622 N VAL A 67 0.108 -14.845 8.306 1.00 14.19 N ATOM 623 CA VAL A 67 0.184 -16.243 8.592 1.00 14.80 C ATOM 624 C VAL A 67 -0.768 -17.113 7.819 1.00 12.76 C ATOM 625 O VAL A 67 -0.504 -18.286 7.631 1.00 12.94 O ATOM 626 CB VAL A 67 0.130 -16.525 10.089 1.00 17.43 C ATOM 627 CG1 VAL A 67 1.315 -15.867 10.776 1.00 19.98 C ATOM 628 CG2 VAL A 67 -1.185 -16.099 10.666 1.00 17.43 C ATOM 629 H VAL A 67 -0.792 -14.331 8.391 1.00 0.00 H ATOM 630 N GLY A 68 -1.843 -16.551 7.287 1.00 11.66 N ATOM 631 CA GLY A 68 -2.752 -17.371 6.526 1.00 11.66 C ATOM 632 C GLY A 68 -3.785 -16.597 5.720 1.00 11.14 C ATOM 633 O GLY A 68 -3.935 -15.406 5.887 1.00 10.73 O ATOM 634 H GLY A 68 -2.028 -15.536 7.416 1.00 0.00 H ATOM 635 N GLN A 69 -4.494 -17.311 4.862 1.00 10.63 N ATOM 636 CA GLN A 69 -5.617 -16.764 4.128 1.00 11.78 C ATOM 637 C GLN A 69 -6.685 -17.842 4.162 1.00 11.36 C ATOM 638 O GLN A 69 -6.391 -18.998 3.808 1.00 12.29 O ATOM 639 CB GLN A 69 -5.216 -16.407 2.697 1.00 13.87 C ATOM 640 CG GLN A 69 -6.323 -15.717 1.946 1.00 16.56 C ATOM 641 CD GLN A 69 -5.902 -15.256 0.542 1.00 20.14 C ATOM 642 OE1 GLN A 69 -4.793 -15.506 0.109 1.00 25.43 O ATOM 643 NE2 GLN A 69 -6.791 -14.604 -0.146 1.00 21.01 N ATOM 644 HE22 GLN A 69 -7.727 -14.412 0.264 1.00 0.00 H ATOM 645 HE21 GLN A 69 -6.566 -14.274 -1.106 1.00 0.00 H ATOM 646 H GLN A 69 -4.235 -18.306 4.708 1.00 0.00 H ATOM 647 N ILE A 70 -7.900 -17.462 4.567 1.00 10.13 N ATOM 648 CA ILE A 70 -9.025 -18.403 4.656 1.00 10.87 C ATOM 649 C ILE A 70 -10.194 -17.763 3.940 1.00 10.77 C ATOM 650 O ILE A 70 -10.566 -16.657 4.249 1.00 10.82 O ATOM 651 CB ILE A 70 -9.445 -18.732 6.127 1.00 12.37 C ATOM 652 CG1 ILE A 70 -8.257 -19.180 6.949 1.00 14.14 C ATOM 653 CG2 ILE A 70 -10.493 -19.849 6.098 1.00 12.02 C ATOM 654 CD1 ILE A 70 -8.560 -19.255 8.434 1.00 15.81 C ATOM 655 H ILE A 70 -8.055 -16.467 4.828 1.00 0.00 H ATOM 656 N VAL A 71 -10.758 -18.502 2.997 1.00 10.17 N ATOM 657 CA VAL A 71 -11.994 -18.080 2.348 1.00 10.98 C ATOM 658 C VAL A 71 -13.160 -18.793 2.976 1.00 10.44 C ATOM 659 O VAL A 71 -13.166 -20.019 3.066 1.00 11.53 O ATOM 660 CB VAL A 71 -11.924 -18.343 0.803 1.00 12.40 C ATOM 661 CG1 VAL A 71 -13.266 -18.070 0.151 1.00 13.16 C ATOM 662 CG2 VAL A 71 -10.744 -17.547 0.179 1.00 13.09 C ATOM 663 H VAL A 71 -10.312 -19.398 2.715 1.00 0.00 H ATOM 664 N PHE A 72 -14.192 -18.039 3.366 1.00 9.43 N ATOM 665 CA PHE A 72 -15.384 -18.609 3.940 1.00 9.56 C ATOM 666 C PHE A 72 -16.560 -18.397 3.008 1.00 9.61 C ATOM 667 O PHE A 72 -16.759 -17.310 2.465 1.00 9.39 O ATOM 668 CB PHE A 72 -15.733 -17.974 5.260 1.00 9.54 C ATOM 669 CG PHE A 72 -14.718 -18.212 6.317 1.00 10.12 C ATOM 670 CD1 PHE A 72 -14.730 -19.390 7.025 1.00 10.71 C ATOM 671 CD2 PHE A 72 -13.766 -17.253 6.612 1.00 10.41 C ATOM 672 CE1 PHE A 72 -13.800 -19.658 8.024 1.00 10.63 C ATOM 673 CE2 PHE A 72 -12.797 -17.518 7.587 1.00 10.37 C ATOM 674 CZ PHE A 72 -12.833 -18.694 8.311 1.00 10.14 C ATOM 675 H PHE A 72 -14.133 -17.007 3.251 1.00 0.00 H ATOM 676 N GLU A 73 -17.347 -19.449 2.870 1.00 9.54 N ATOM 677 CA GLU A 73 -18.578 -19.466 2.088 1.00 11.15 C ATOM 678 C GLU A 73 -19.691 -19.835 2.983 1.00 11.06 C ATOM 679 O GLU A 73 -19.564 -20.790 3.722 1.00 12.12 O ATOM 680 CB GLU A 73 -18.452 -20.516 0.994 1.00 11.85 C ATOM 681 CG GLU A 73 -19.750 -20.708 0.239 1.00 13.46 C ATOM 682 CD GLU A 73 -19.745 -21.750 -0.848 1.00 15.61 C ATOM 683 OE1 GLU A 73 -18.678 -22.188 -1.321 1.00 18.93 O ATOM 684 OE2 GLU A 73 -20.881 -22.114 -1.197 1.00 16.20 O ATOM 685 H GLU A 73 -17.069 -20.327 3.353 1.00 0.00 H ATOM 686 N PHE A 74 -20.795 -19.094 2.946 1.00 11.81 N ATOM 687 CA PHE A 74 -22.028 -19.507 3.600 1.00 13.62 C ATOM 688 C PHE A 74 -22.969 -19.915 2.471 1.00 14.53 C ATOM 689 O PHE A 74 -23.242 -19.094 1.577 1.00 14.03 O ATOM 690 CB PHE A 74 -22.665 -18.365 4.371 1.00 15.35 C ATOM 691 CG PHE A 74 -21.955 -18.027 5.632 1.00 18.09 C ATOM 692 CD1 PHE A 74 -22.161 -18.809 6.753 1.00 20.63 C ATOM 693 CD2 PHE A 74 -21.087 -16.961 5.698 1.00 21.50 C ATOM 694 CE1 PHE A 74 -21.533 -18.508 7.936 1.00 20.47 C ATOM 695 CE2 PHE A 74 -20.469 -16.642 6.892 1.00 21.45 C ATOM 696 CZ PHE A 74 -20.677 -17.440 7.998 1.00 22.72 C ATOM 697 H PHE A 74 -20.777 -18.190 2.433 1.00 0.00 H ATOM 698 N VAL A 75 -23.447 -21.149 2.487 1.00 16.50 N ATOM 699 CA VAL A 75 -24.283 -21.631 1.379 1.00 17.19 C ATOM 700 C VAL A 75 -25.504 -20.741 1.208 1.00 17.64 C ATOM 701 O VAL A 75 -26.113 -20.295 2.181 1.00 15.76 O ATOM 702 CB VAL A 75 -24.694 -23.112 1.512 1.00 20.81 C ATOM 703 CG1 VAL A 75 -23.476 -24.011 1.461 1.00 21.55 C ATOM 704 CG2 VAL A 75 -25.506 -23.374 2.755 1.00 22.51 C ATOM 705 H VAL A 75 -23.230 -21.779 3.286 1.00 0.00 H ATOM 706 N GLY A 76 -25.784 -20.446 -0.057 1.00 20.62 N ATOM 707 CA GLY A 76 -26.827 -19.479 -0.375 1.00 22.69 C ATOM 708 C GLY A 76 -26.454 -18.009 -0.387 1.00 23.17 C ATOM 709 O GLY A 76 -27.185 -17.207 -0.990 1.00 28.64 O ATOM 710 H GLY A 76 -25.256 -20.908 -0.825 1.00 0.00 H ATOM 711 N GLU A 77 -25.358 -17.609 0.265 1.00 17.63 N ATOM 712 CA GLU A 77 -24.992 -16.219 0.361 1.00 18.15 C ATOM 713 C GLU A 77 -23.998 -15.943 -0.698 1.00 15.93 C ATOM 714 O GLU A 77 -23.010 -16.660 -0.826 1.00 13.61 O ATOM 715 CB GLU A 77 -24.364 -15.896 1.699 1.00 20.69 C ATOM 716 CG GLU A 77 -25.366 -15.903 2.838 1.00 27.15 C ATOM 717 CD GLU A 77 -26.407 -14.828 2.611 1.00 34.32 C ATOM 718 OE1 GLU A 77 -27.596 -15.106 2.873 1.00 43.21 O ATOM 719 OE2 GLU A 77 -26.019 -13.720 2.125 1.00 38.77 O ATOM 720 H GLU A 77 -24.751 -18.323 0.717 1.00 0.00 H ATOM 721 N PRO A 78 -24.226 -14.903 -1.502 1.00 14.53 N ATOM 722 CA PRO A 78 -23.324 -14.697 -2.660 1.00 13.97 C ATOM 723 C PRO A 78 -21.891 -14.302 -2.325 1.00 13.83 C ATOM 724 O PRO A 78 -20.958 -14.764 -2.976 1.00 13.47 O ATOM 725 CB PRO A 78 -24.033 -13.610 -3.470 1.00 15.05 C ATOM 726 CG PRO A 78 -24.836 -12.871 -2.461 1.00 16.85 C ATOM 727 CD PRO A 78 -25.309 -13.907 -1.464 1.00 15.57 C ATOM 728 N GLU A 79 -21.695 -13.476 -1.297 1.00 12.85 N ATOM 729 CA GLU A 79 -20.395 -12.930 -1.061 1.00 14.37 C ATOM 730 C GLU A 79 -19.566 -13.888 -0.204 1.00 13.69 C ATOM 731 O GLU A 79 -20.019 -14.282 0.868 1.00 13.08 O ATOM 732 CB GLU A 79 -20.524 -11.602 -0.359 1.00 18.26 C ATOM 733 CG GLU A 79 -19.296 -10.747 -0.352 1.00 20.27 C ATOM 734 CD GLU A 79 -19.667 -9.325 0.025 1.00 25.02 C ATOM 735 OE1 GLU A 79 -19.674 -9.027 1.227 1.00 24.27 O ATOM 736 OE2 GLU A 79 -20.048 -8.537 -0.882 1.00 33.67 O ATOM 737 H GLU A 79 -22.486 -13.229 -0.668 1.00 0.00 H ATOM 738 N LEU A 80 -18.393 -14.207 -0.711 1.00 12.79 N ATOM 739 CA LEU A 80 -17.356 -14.966 0.029 1.00 12.87 C ATOM 740 C LEU A 80 -16.579 -13.999 0.924 1.00 14.24 C ATOM 741 O LEU A 80 -16.352 -12.838 0.575 1.00 14.58 O ATOM 742 CB LEU A 80 -16.410 -15.636 -0.936 1.00 13.37 C ATOM 743 CG LEU A 80 -17.010 -16.623 -1.957 1.00 14.46 C ATOM 744 CD1 LEU A 80 -15.952 -17.125 -2.921 1.00 16.20 C ATOM 745 CD2 LEU A 80 -17.701 -17.749 -1.210 1.00 13.88 C ATOM 746 H LEU A 80 -18.182 -13.910 -1.685 1.00 0.00 H ATOM 747 N MET A 81 -16.158 -14.483 2.084 1.00 11.61 N ATOM 748 CA MET A 81 -15.302 -13.695 2.965 1.00 12.11 C ATOM 749 C MET A 81 -13.881 -14.137 2.779 1.00 11.92 C ATOM 750 O MET A 81 -13.573 -15.295 3.056 1.00 12.33 O ATOM 751 CB MET A 81 -15.727 -13.848 4.423 1.00 14.13 C ATOM 752 CG MET A 81 -17.188 -13.500 4.687 1.00 15.63 C ATOM 753 SD MET A 81 -17.642 -13.761 6.428 1.00 20.36 S ATOM 754 CE MET A 81 -17.177 -12.209 7.169 1.00 22.56 C ATOM 755 H MET A 81 -16.443 -15.441 2.371 1.00 0.00 H ATOM 756 N ASP A 82 -12.994 -13.249 2.327 1.00 11.19 N ATOM 757 CA ASP A 82 -11.597 -13.551 2.093 1.00 11.40 C ATOM 758 C ASP A 82 -10.789 -12.989 3.250 1.00 10.32 C ATOM 759 O ASP A 82 -10.523 -11.766 3.319 1.00 10.62 O ATOM 760 CB ASP A 82 -11.165 -12.907 0.753 1.00 12.86 C ATOM 761 CG ASP A 82 -9.705 -13.120 0.417 1.00 16.14 C ATOM 762 OD1 ASP A 82 -9.053 -14.011 0.991 1.00 18.66 O ATOM 763 OD2 ASP A 82 -9.192 -12.360 -0.441 1.00 20.52 O ATOM 764 H ASP A 82 -13.325 -12.283 2.131 1.00 0.00 H ATOM 765 N VAL A 83 -10.494 -13.856 4.231 1.00 9.28 N ATOM 766 CA VAL A 83 -9.927 -13.438 5.497 1.00 9.16 C ATOM 767 C VAL A 83 -8.415 -13.592 5.517 1.00 9.61 C ATOM 768 O VAL A 83 -7.900 -14.674 5.330 1.00 10.53 O ATOM 769 CB VAL A 83 -10.549 -14.224 6.669 1.00 9.28 C ATOM 770 CG1 VAL A 83 -10.014 -13.700 7.973 1.00 9.55 C ATOM 771 CG2 VAL A 83 -12.059 -14.063 6.666 1.00 9.92 C ATOM 772 H VAL A 83 -10.680 -14.868 4.076 1.00 0.00 H ATOM 773 N HIS A 84 -7.720 -12.489 5.656 1.00 9.58 N ATOM 774 CA HIS A 84 -6.266 -12.483 5.728 1.00 9.97 C ATOM 775 C HIS A 84 -5.890 -12.481 7.202 1.00 9.14 C ATOM 776 O HIS A 84 -6.289 -11.592 7.962 1.00 8.85 O ATOM 777 CB HIS A 84 -5.728 -11.281 4.981 1.00 11.03 C ATOM 778 CG HIS A 84 -5.944 -11.372 3.507 1.00 12.95 C ATOM 779 ND1 HIS A 84 -4.909 -11.553 2.619 1.00 15.39 N ATOM 780 CD2 HIS A 84 -7.086 -11.369 2.772 1.00 13.86 C ATOM 781 CE1 HIS A 84 -5.410 -11.684 1.403 1.00 15.51 C ATOM 782 NE2 HIS A 84 -6.729 -11.600 1.468 1.00 14.99 N ATOM 783 H HIS A 84 -8.227 -11.583 5.717 1.00 0.00 H ATOM 784 N VAL A 85 -5.175 -13.545 7.607 1.00 8.69 N ATOM 785 CA VAL A 85 -4.863 -13.803 9.005 1.00 8.85 C ATOM 786 C VAL A 85 -3.407 -13.381 9.318 1.00 9.79 C ATOM 787 O VAL A 85 -2.491 -13.718 8.587 1.00 10.23 O ATOM 788 CB VAL A 85 -5.090 -15.271 9.390 1.00 9.67 C ATOM 789 CG1 VAL A 85 -4.881 -15.461 10.886 1.00 9.91 C ATOM 790 CG2 VAL A 85 -6.451 -15.743 8.904 1.00 10.02 C ATOM 791 H VAL A 85 -4.829 -14.214 6.889 1.00 0.00 H ATOM 792 N PHE A 86 -3.249 -12.645 10.417 1.00 9.84 N ATOM 793 CA PHE A 86 -1.946 -12.142 10.845 1.00 10.61 C ATOM 794 C PHE A 86 -1.704 -12.510 12.287 1.00 11.10 C ATOM 795 O PHE A 86 -2.648 -12.722 13.065 1.00 10.27 O ATOM 796 CB PHE A 86 -1.875 -10.607 10.759 1.00 11.02 C ATOM 797 CG PHE A 86 -2.044 -10.073 9.397 1.00 12.68 C ATOM 798 CD1 PHE A 86 -3.278 -9.923 8.868 1.00 12.23 C ATOM 799 CD2 PHE A 86 -0.943 -9.708 8.645 1.00 13.05 C ATOM 800 CE1 PHE A 86 -3.427 -9.456 7.587 1.00 13.65 C ATOM 801 CE2 PHE A 86 -1.079 -9.241 7.359 1.00 13.82 C ATOM 802 CZ PHE A 86 -2.339 -9.075 6.843 1.00 14.35 C ATOM 803 H PHE A 86 -4.085 -12.420 10.992 1.00 0.00 H ATOM 804 N CYS A 87 -0.430 -12.602 12.677 1.00 11.53 N ATOM 805 CA CYS A 87 -0.108 -12.668 14.090 1.00 13.15 C ATOM 806 C CYS A 87 0.953 -11.673 14.433 1.00 14.01 C ATOM 807 O CYS A 87 1.695 -11.223 13.567 1.00 13.59 O ATOM 808 CB CYS A 87 0.339 -14.067 14.502 1.00 13.98 C ATOM 809 SG CYS A 87 1.963 -14.455 13.850 1.00 17.73 S ATOM 810 H CYS A 87 0.331 -12.626 11.968 1.00 0.00 H ATOM 811 N THR A 88 0.989 -11.329 15.715 1.00 15.28 N ATOM 812 CA THR A 88 2.023 -10.434 16.264 1.00 17.69 C ATOM 813 C THR A 88 2.356 -10.897 17.681 1.00 19.32 C ATOM 814 O THR A 88 1.488 -11.396 18.394 1.00 17.11 O ATOM 815 CB THR A 88 1.558 -9.000 16.291 1.00 19.09 C ATOM 816 OG1 THR A 88 2.613 -8.166 16.791 1.00 22.78 O ATOM 817 CG2 THR A 88 0.300 -8.812 17.124 1.00 19.18 C ATOM 818 HG1 THR A 88 3.404 -8.247 16.201 1.00 0.00 H ATOM 819 H THR A 88 0.261 -11.705 16.355 1.00 0.00 H ATOM 820 N ASP A 89 3.615 -10.713 18.091 1.00 22.15 N ATOM 821 CA ASP A 89 3.991 -10.867 19.503 1.00 26.31 C ATOM 822 C ASP A 89 4.607 -9.572 20.019 1.00 28.87 C ATOM 823 O ASP A 89 5.242 -9.563 21.069 1.00 36.33 O ATOM 824 CB ASP A 89 4.948 -12.053 19.667 1.00 28.27 C ATOM 825 CG ASP A 89 6.313 -11.829 19.025 1.00 33.73 C ATOM 826 OD1 ASP A 89 6.516 -10.850 18.262 1.00 36.78 O ATOM 827 OD2 ASP A 89 7.192 -12.677 19.301 1.00 38.19 O ATOM 828 H ASP A 89 4.344 -10.455 17.396 1.00 0.00 H ATOM 829 N SER A 90 4.418 -8.489 19.280 1.00 26.46 N ATOM 830 CA SER A 90 5.105 -7.217 19.564 1.00 27.92 C ATOM 831 C SER A 90 4.068 -6.119 19.642 1.00 23.76 C ATOM 832 O SER A 90 3.719 -5.469 18.651 1.00 26.42 O ATOM 833 CB SER A 90 6.129 -6.905 18.502 1.00 31.07 C ATOM 834 OG SER A 90 5.510 -6.796 17.232 1.00 38.16 O ATOM 835 HG SER A 90 4.838 -6.069 17.255 1.00 0.00 H ATOM 836 H SER A 90 3.764 -8.538 18.473 1.00 0.00 H ATOM 837 N ILE A 91 3.603 -5.927 20.860 1.00 23.55 N ATOM 838 CA ILE A 91 2.507 -5.040 21.174 1.00 21.22 C ATOM 839 C ILE A 91 2.944 -4.068 22.270 1.00 19.47 C ATOM 840 O ILE A 91 3.909 -4.346 22.988 1.00 20.33 O ATOM 841 CB ILE A 91 1.276 -5.837 21.619 1.00 22.46 C ATOM 842 CG1 ILE A 91 1.632 -6.796 22.768 1.00 25.18 C ATOM 843 CG2 ILE A 91 0.693 -6.586 20.415 1.00 24.47 C ATOM 844 CD1 ILE A 91 0.489 -7.090 23.700 1.00 25.71 C ATOM 845 H ILE A 91 4.052 -6.445 21.642 1.00 0.00 H ATOM 846 N GLN A 92 2.210 -2.962 22.360 1.00 18.08 N ATOM 847 CA GLN A 92 2.267 -2.008 23.433 1.00 20.34 C ATOM 848 C GLN A 92 0.900 -1.768 24.017 1.00 19.43 C ATOM 849 O GLN A 92 -0.096 -1.743 23.307 1.00 16.71 O ATOM 850 CB GLN A 92 2.848 -0.673 22.932 1.00 20.41 C ATOM 851 CG GLN A 92 4.242 -0.812 22.416 1.00 24.20 C ATOM 852 CD GLN A 92 4.772 0.505 21.913 1.00 26.62 C ATOM 853 OE1 GLN A 92 5.298 1.288 22.676 1.00 31.95 O ATOM 854 NE2 GLN A 92 4.644 0.736 20.635 1.00 27.04 N ATOM 855 HE22 GLN A 92 4.185 0.032 20.023 1.00 0.00 H ATOM 856 HE21 GLN A 92 5.001 1.624 20.229 1.00 0.00 H ATOM 857 H GLN A 92 1.539 -2.772 21.589 1.00 0.00 H ATOM 858 N GLY A 93 0.836 -1.557 25.329 1.00 20.72 N ATOM 859 CA GLY A 93 -0.416 -1.226 25.975 1.00 19.74 C ATOM 860 C GLY A 93 -1.068 -2.441 26.596 1.00 19.36 C ATOM 861 O GLY A 93 -0.504 -3.548 26.616 1.00 19.01 O ATOM 862 H GLY A 93 1.702 -1.631 25.901 1.00 0.00 H ATOM 863 N THR A 94 -2.282 -2.229 27.076 1.00 18.06 N ATOM 864 CA THR A 94 -3.037 -3.261 27.789 1.00 19.59 C ATOM 865 C THR A 94 -4.383 -3.374 27.113 1.00 16.84 C ATOM 866 O THR A 94 -4.962 -2.364 26.729 1.00 17.52 O ATOM 867 CB THR A 94 -3.208 -2.946 29.295 1.00 22.70 C ATOM 868 OG1 THR A 94 -4.075 -3.910 29.912 1.00 29.80 O ATOM 869 CG2 THR A 94 -3.805 -1.661 29.507 1.00 23.20 C ATOM 870 HG1 THR A 94 -4.174 -3.695 30.873 1.00 0.00 H ATOM 871 H THR A 94 -2.717 -1.294 26.942 1.00 0.00 H ATOM 872 N PRO A 95 -4.892 -4.601 26.953 1.00 14.55 N ATOM 873 CA PRO A 95 -6.199 -4.707 26.301 1.00 15.10 C ATOM 874 C PRO A 95 -7.306 -3.975 27.035 1.00 15.71 C ATOM 875 O PRO A 95 -7.312 -3.939 28.248 1.00 16.93 O ATOM 876 CB PRO A 95 -6.482 -6.209 26.327 1.00 15.59 C ATOM 877 CG PRO A 95 -5.128 -6.850 26.465 1.00 15.17 C ATOM 878 CD PRO A 95 -4.353 -5.916 27.314 1.00 14.78 C ATOM 879 N VAL A 96 -8.236 -3.430 26.273 1.00 15.17 N ATOM 880 CA VAL A 96 -9.295 -2.572 26.793 1.00 15.70 C ATOM 881 C VAL A 96 -10.631 -3.272 26.587 1.00 14.73 C ATOM 882 O VAL A 96 -10.926 -3.644 25.470 1.00 15.43 O ATOM 883 CB VAL A 96 -9.310 -1.234 26.018 1.00 16.91 C ATOM 884 CG1 VAL A 96 -10.498 -0.396 26.445 1.00 17.74 C ATOM 885 CG2 VAL A 96 -8.020 -0.449 26.228 1.00 19.37 C ATOM 886 H VAL A 96 -8.213 -3.622 25.251 1.00 0.00 H ATOM 887 N GLU A 97 -11.432 -3.444 27.617 1.00 13.79 N ATOM 888 CA GLU A 97 -12.806 -3.967 27.474 1.00 13.97 C ATOM 889 C GLU A 97 -13.696 -2.797 27.120 1.00 15.06 C ATOM 890 O GLU A 97 -13.642 -1.744 27.797 1.00 15.28 O ATOM 891 CB GLU A 97 -13.383 -4.721 28.709 1.00 16.71 C ATOM 892 CG GLU A 97 -14.881 -5.067 28.561 1.00 19.01 C ATOM 893 CD GLU A 97 -15.537 -6.052 29.582 1.00 22.72 C ATOM 894 OE1 GLU A 97 -14.952 -6.254 30.585 1.00 24.46 O ATOM 895 OE2 GLU A 97 -16.708 -6.517 29.373 1.00 29.28 O ATOM 896 H GLU A 97 -11.085 -3.203 28.567 1.00 0.00 H ATOM 897 N SER A 98 -14.516 -2.983 26.101 1.00 14.44 N ATOM 898 CA SER A 98 -15.464 -1.963 25.685 1.00 14.53 C ATOM 899 C SER A 98 -16.831 -2.553 25.634 1.00 16.36 C ATOM 900 O SER A 98 -17.041 -3.725 25.879 1.00 15.92 O ATOM 901 CB SER A 98 -15.030 -1.413 24.337 1.00 14.57 C ATOM 902 OG SER A 98 -15.153 -2.438 23.350 1.00 15.45 O ATOM 903 HG SER A 98 -14.577 -3.204 23.598 1.00 0.00 H ATOM 904 H SER A 98 -14.482 -3.884 25.582 1.00 0.00 H ATOM 905 N ASP A 99 -17.819 -1.742 25.293 1.00 17.39 N ATOM 906 CA ASP A 99 -19.133 -2.295 25.134 1.00 20.33 C ATOM 907 C ASP A 99 -19.242 -3.264 23.933 1.00 20.72 C ATOM 908 O ASP A 99 -20.219 -4.018 23.847 1.00 25.18 O ATOM 909 CB ASP A 99 -20.155 -1.203 25.040 1.00 23.63 C ATOM 910 CG ASP A 99 -21.535 -1.752 25.158 1.00 26.29 C ATOM 911 OD1 ASP A 99 -21.907 -2.325 26.237 1.00 28.74 O ATOM 912 OD2 ASP A 99 -22.202 -1.686 24.133 1.00 30.06 O ATOM 913 H ASP A 99 -17.647 -0.727 25.144 1.00 0.00 H ATOM 914 N GLU A 100 -18.280 -3.264 23.016 1.00 17.74 N ATOM 915 CA GLU A 100 -18.350 -4.124 21.854 1.00 20.21 C ATOM 916 C GLU A 100 -17.521 -5.375 22.017 1.00 16.71 C ATOM 917 O GLU A 100 -17.797 -6.341 21.354 1.00 16.19 O ATOM 918 CB GLU A 100 -17.864 -3.441 20.571 1.00 25.82 C ATOM 919 CG GLU A 100 -18.745 -2.287 20.092 1.00 34.73 C ATOM 920 CD GLU A 100 -20.109 -2.710 19.528 1.00 41.25 C ATOM 921 OE1 GLU A 100 -20.460 -3.916 19.523 1.00 47.71 O ATOM 922 OE2 GLU A 100 -20.851 -1.800 19.080 1.00 48.09 O ATOM 923 H GLU A 100 -17.461 -2.634 23.136 1.00 0.00 H ATOM 924 N MET A 101 -16.518 -5.328 22.878 1.00 14.48 N ATOM 925 CA MET A 101 -15.496 -6.382 22.865 1.00 14.24 C ATOM 926 C MET A 101 -14.934 -6.605 24.264 1.00 13.93 C ATOM 927 O MET A 101 -14.583 -5.644 24.934 1.00 13.76 O ATOM 928 CB MET A 101 -14.348 -5.996 21.947 1.00 16.68 C ATOM 929 CG MET A 101 -13.358 -7.122 21.670 1.00 15.86 C ATOM 930 SD MET A 101 -14.010 -8.512 20.768 1.00 19.04 S ATOM 931 CE MET A 101 -13.950 -7.797 19.149 1.00 19.23 C ATOM 932 H MET A 101 -16.454 -4.547 23.562 1.00 0.00 H ATOM 933 N ARG A 102 -14.801 -7.878 24.678 1.00 13.15 N ATOM 934 CA ARG A 102 -14.223 -8.213 25.971 1.00 13.50 C ATOM 935 C ARG A 102 -12.985 -9.090 25.683 1.00 13.31 C ATOM 936 O ARG A 102 -13.142 -10.262 25.342 1.00 12.67 O ATOM 937 CB ARG A 102 -15.216 -8.961 26.820 1.00 14.89 C ATOM 938 CG ARG A 102 -14.725 -9.546 28.140 1.00 16.61 C ATOM 939 CD ARG A 102 -15.861 -10.043 29.068 1.00 17.65 C ATOM 940 NE ARG A 102 -16.540 -11.273 28.644 1.00 20.06 N ATOM 941 CZ ARG A 102 -16.302 -12.518 29.105 1.00 20.57 C ATOM 942 NH1 ARG A 102 -15.378 -12.744 30.024 1.00 20.32 N ATOM 943 NH2 ARG A 102 -17.007 -13.537 28.610 1.00 23.24 N ATOM 944 HE ARG A 102 -17.277 -11.175 27.917 1.00 0.00 H ATOM 945 HH12 ARG A 102 -15.210 -13.712 30.366 1.00 0.00 H ATOM 946 HH11 ARG A 102 -14.819 -11.954 30.405 1.00 0.00 H ATOM 947 HH22 ARG A 102 -16.836 -14.503 28.954 1.00 0.00 H ATOM 948 HH21 ARG A 102 -17.727 -13.365 27.880 1.00 0.00 H ATOM 949 H ARG A 102 -15.121 -8.647 24.055 1.00 0.00 H ATOM 950 N PRO A 103 -11.780 -8.523 25.756 1.00 13.66 N ATOM 951 CA PRO A 103 -10.553 -9.294 25.576 1.00 13.79 C ATOM 952 C PRO A 103 -10.115 -10.047 26.804 1.00 13.23 C ATOM 953 O PRO A 103 -10.265 -9.553 27.944 1.00 13.85 O ATOM 954 CB PRO A 103 -9.489 -8.249 25.222 1.00 14.50 C ATOM 955 CG PRO A 103 -10.119 -6.932 25.339 1.00 16.40 C ATOM 956 CD PRO A 103 -11.507 -7.053 25.845 1.00 15.47 C ATOM 957 N CYS A 104 -9.494 -11.202 26.583 1.00 13.23 N ATOM 958 CA CYS A 104 -9.019 -12.040 27.671 1.00 14.07 C ATOM 959 C CYS A 104 -7.838 -12.853 27.166 1.00 12.53 C ATOM 960 O CYS A 104 -7.849 -13.278 26.023 1.00 11.24 O ATOM 961 CB CYS A 104 -10.119 -12.981 28.086 1.00 16.50 C ATOM 962 SG CYS A 104 -9.715 -13.971 29.524 1.00 23.31 S ATOM 963 H CYS A 104 -9.344 -11.515 25.603 1.00 0.00 H ATOM 964 N TRP A 105 -6.821 -13.022 28.003 1.00 11.61 N ATOM 965 CA TRP A 105 -5.689 -13.905 27.710 1.00 11.63 C ATOM 966 C TRP A 105 -6.021 -15.339 28.028 1.00 12.74 C ATOM 967 O TRP A 105 -6.620 -15.629 29.082 1.00 14.76 O ATOM 968 CB TRP A 105 -4.483 -13.444 28.534 1.00 12.22 C ATOM 969 CG TRP A 105 -3.922 -12.141 28.144 1.00 12.10 C ATOM 970 CD1 TRP A 105 -4.010 -10.972 28.837 1.00 13.14 C ATOM 971 CD2 TRP A 105 -3.068 -11.867 27.043 1.00 13.07 C ATOM 972 NE1 TRP A 105 -3.304 -9.989 28.217 1.00 14.00 N ATOM 973 CE2 TRP A 105 -2.710 -10.517 27.109 1.00 13.15 C ATOM 974 CE3 TRP A 105 -2.586 -12.641 25.957 1.00 13.75 C ATOM 975 CZ2 TRP A 105 -1.918 -9.904 26.132 1.00 13.47 C ATOM 976 CZ3 TRP A 105 -1.777 -12.048 25.045 1.00 13.86 C ATOM 977 CH2 TRP A 105 -1.481 -10.684 25.110 1.00 13.47 C ATOM 978 HE1 TRP A 105 -3.230 -9.001 28.534 1.00 0.00 H ATOM 979 H TRP A 105 -6.828 -12.505 28.906 1.00 0.00 H ATOM 980 N PHE A 106 -5.588 -16.249 27.170 1.00 12.25 N ATOM 981 CA PHE A 106 -5.731 -17.667 27.338 1.00 12.05 C ATOM 982 C PHE A 106 -4.386 -18.362 27.296 1.00 13.30 C ATOM 983 O PHE A 106 -3.598 -18.127 26.420 1.00 13.29 O ATOM 984 CB PHE A 106 -6.655 -18.250 26.265 1.00 12.30 C ATOM 985 CG PHE A 106 -8.078 -17.795 26.395 1.00 11.47 C ATOM 986 CD1 PHE A 106 -8.479 -16.600 25.792 1.00 12.22 C ATOM 987 CD2 PHE A 106 -9.023 -18.535 27.072 1.00 11.46 C ATOM 988 CE1 PHE A 106 -9.769 -16.167 25.934 1.00 12.14 C ATOM 989 CE2 PHE A 106 -10.327 -18.121 27.175 1.00 11.76 C ATOM 990 CZ PHE A 106 -10.710 -16.929 26.606 1.00 11.76 C ATOM 991 H PHE A 106 -5.109 -15.912 26.311 1.00 0.00 H ATOM 992 N GLN A 107 -4.139 -19.218 28.280 1.00 15.03 N ATOM 993 CA GLN A 107 -3.001 -20.119 28.175 1.00 15.96 C ATOM 994 C GLN A 107 -3.215 -21.042 26.983 1.00 15.25 C ATOM 995 O GLN A 107 -4.345 -21.422 26.674 1.00 15.41 O ATOM 996 CB GLN A 107 -2.865 -20.989 29.442 1.00 18.54 C ATOM 997 CG GLN A 107 -2.703 -20.170 30.720 1.00 22.29 C ATOM 998 CD GLN A 107 -1.516 -19.195 30.666 1.00 29.83 C ATOM 999 OE1 GLN A 107 -1.686 -17.965 30.703 1.00 38.51 O ATOM 1000 NE2 GLN A 107 -0.300 -19.741 30.566 1.00 32.25 N ATOM 1001 HE22 GLN A 107 -0.195 -20.775 30.538 1.00 0.00 H ATOM 1002 HE21 GLN A 107 0.541 -19.131 30.517 1.00 0.00 H ATOM 1003 H GLN A 107 -4.753 -19.245 29.119 1.00 0.00 H ATOM 1004 N LEU A 108 -2.116 -21.476 26.384 1.00 17.22 N ATOM 1005 CA LEU A 108 -2.218 -22.202 25.110 1.00 18.31 C ATOM 1006 C LEU A 108 -2.862 -23.541 25.255 1.00 20.37 C ATOM 1007 O LEU A 108 -3.477 -24.005 24.326 1.00 26.02 O ATOM 1008 CB LEU A 108 -0.899 -22.250 24.344 1.00 20.27 C ATOM 1009 CG LEU A 108 -0.320 -20.859 24.101 1.00 20.32 C ATOM 1010 CD1 LEU A 108 1.035 -20.904 23.423 1.00 24.19 C ATOM 1011 CD2 LEU A 108 -1.251 -19.995 23.308 1.00 20.54 C ATOM 1012 H LEU A 108 -1.185 -21.304 26.814 1.00 0.00 H ATOM 1013 N ASP A 109 -2.878 -24.130 26.433 1.00 21.47 N ATOM 1014 CA ASP A 109 -3.586 -25.399 26.573 1.00 24.23 C ATOM 1015 C ASP A 109 -5.026 -25.241 27.063 1.00 23.59 C ATOM 1016 O ASP A 109 -5.662 -26.219 27.415 1.00 24.70 O ATOM 1017 CB ASP A 109 -2.770 -26.336 27.486 1.00 27.51 C ATOM 1018 CG ASP A 109 -2.500 -25.735 28.854 1.00 34.26 C ATOM 1019 OD1 ASP A 109 -2.943 -24.574 29.164 1.00 39.83 O ATOM 1020 OD2 ASP A 109 -1.817 -26.423 29.643 1.00 36.20 O ATOM 1021 H ASP A 109 -2.396 -23.699 27.248 1.00 0.00 H ATOM 1022 N GLN A 110 -5.558 -24.005 27.096 1.00 19.96 N ATOM 1023 CA GLN A 110 -6.913 -23.734 27.521 1.00 20.52 C ATOM 1024 C GLN A 110 -7.631 -22.840 26.503 1.00 17.66 C ATOM 1025 O GLN A 110 -8.505 -22.052 26.852 1.00 18.36 O ATOM 1026 CB GLN A 110 -6.911 -23.029 28.859 1.00 24.43 C ATOM 1027 CG GLN A 110 -6.338 -23.860 29.996 1.00 28.16 C ATOM 1028 CD GLN A 110 -6.540 -23.157 31.322 1.00 32.90 C ATOM 1029 OE1 GLN A 110 -6.094 -22.011 31.525 1.00 33.33 O ATOM 1030 NE2 GLN A 110 -7.275 -23.813 32.218 1.00 40.47 N ATOM 1031 HE22 GLN A 110 -7.626 -24.768 32.004 1.00 0.00 H ATOM 1032 HE21 GLN A 110 -7.498 -23.370 33.132 1.00 0.00 H ATOM 1033 H GLN A 110 -4.964 -23.204 26.801 1.00 0.00 H ATOM 1034 N ILE A 111 -7.264 -23.005 25.242 1.00 16.46 N ATOM 1035 CA ILE A 111 -7.935 -22.259 24.187 1.00 15.61 C ATOM 1036 C ILE A 111 -9.374 -22.761 24.092 1.00 13.97 C ATOM 1037 O ILE A 111 -9.593 -24.005 24.089 1.00 13.37 O ATOM 1038 CB ILE A 111 -7.183 -22.399 22.880 1.00 17.10 C ATOM 1039 CG1 ILE A 111 -5.820 -21.681 23.057 1.00 18.84 C ATOM 1040 CG2 ILE A 111 -8.006 -21.811 21.731 1.00 16.37 C ATOM 1041 CD1 ILE A 111 -4.901 -21.751 21.892 1.00 20.03 C ATOM 1042 H ILE A 111 -6.497 -23.667 25.005 1.00 0.00 H ATOM 1043 N PRO A 112 -10.357 -21.842 24.106 1.00 12.88 N ATOM 1044 CA PRO A 112 -11.737 -22.203 24.295 1.00 14.10 C ATOM 1045 C PRO A 112 -12.462 -22.605 23.006 1.00 14.11 C ATOM 1046 O PRO A 112 -13.429 -21.972 22.595 1.00 14.38 O ATOM 1047 CB PRO A 112 -12.348 -20.926 24.889 1.00 14.48 C ATOM 1048 CG PRO A 112 -11.586 -19.849 24.262 1.00 14.01 C ATOM 1049 CD PRO A 112 -10.176 -20.377 24.197 1.00 13.04 C ATOM 1050 N PHE A 113 -11.981 -23.664 22.375 1.00 14.29 N ATOM 1051 CA PHE A 113 -12.458 -24.064 21.028 1.00 14.48 C ATOM 1052 C PHE A 113 -13.987 -24.268 20.930 1.00 14.71 C ATOM 1053 O PHE A 113 -14.607 -23.938 19.925 1.00 15.58 O ATOM 1054 CB PHE A 113 -11.707 -25.317 20.549 1.00 14.92 C ATOM 1055 CG PHE A 113 -10.288 -25.051 20.160 1.00 13.84 C ATOM 1056 CD1 PHE A 113 -10.003 -24.235 19.073 1.00 13.66 C ATOM 1057 CD2 PHE A 113 -9.223 -25.590 20.889 1.00 14.83 C ATOM 1058 CE1 PHE A 113 -8.700 -23.964 18.745 1.00 14.67 C ATOM 1059 CE2 PHE A 113 -7.903 -25.327 20.546 1.00 15.83 C ATOM 1060 CZ PHE A 113 -7.661 -24.543 19.432 1.00 15.33 C ATOM 1061 H PHE A 113 -11.245 -24.234 22.838 1.00 0.00 H ATOM 1062 N LYS A 114 -14.603 -24.795 21.994 1.00 16.74 N ATOM 1063 CA LYS A 114 -16.040 -24.973 22.004 1.00 18.87 C ATOM 1064 C LYS A 114 -16.845 -23.676 21.915 1.00 16.83 C ATOM 1065 O LYS A 114 -17.987 -23.717 21.522 1.00 17.99 O ATOM 1066 CB LYS A 114 -16.479 -25.755 23.235 1.00 24.81 C ATOM 1067 CG LYS A 114 -16.409 -24.953 24.533 1.00 30.58 C ATOM 1068 CD LYS A 114 -16.626 -25.822 25.772 1.00 35.35 C ATOM 1069 CE LYS A 114 -17.188 -25.011 26.931 1.00 38.36 C ATOM 1070 NZ LYS A 114 -16.238 -23.940 27.377 1.00 43.29 N ATOM 1071 HZ1 LYS A 114 -15.346 -24.376 27.686 1.00 0.00 H ATOM 1072 HZ2 LYS A 114 -16.052 -23.292 26.585 1.00 0.00 H ATOM 1073 HZ3 LYS A 114 -16.659 -23.412 28.167 1.00 0.00 H ATOM 1074 H LYS A 114 -14.044 -25.080 22.823 1.00 0.00 H ATOM 1075 N ASP A 115 -16.238 -22.520 22.227 1.00 14.95 N ATOM 1076 CA ASP A 115 -16.888 -21.231 22.214 1.00 16.21 C ATOM 1077 C ASP A 115 -16.182 -20.330 21.197 1.00 14.38 C ATOM 1078 O ASP A 115 -16.200 -19.093 21.334 1.00 13.76 O ATOM 1079 CB ASP A 115 -16.840 -20.565 23.600 1.00 19.04 C ATOM 1080 CG ASP A 115 -17.773 -21.224 24.600 1.00 25.80 C ATOM 1081 OD1 ASP A 115 -18.895 -21.599 24.217 1.00 30.99 O ATOM 1082 OD2 ASP A 115 -17.388 -21.332 25.780 1.00 29.64 O ATOM 1083 H ASP A 115 -15.234 -22.555 22.496 1.00 0.00 H ATOM 1084 N MET A 116 -15.563 -20.957 20.178 1.00 12.67 N ATOM 1085 CA MET A 116 -15.001 -20.217 19.063 1.00 11.93 C ATOM 1086 C MET A 116 -15.677 -20.678 17.753 1.00 11.56 C ATOM 1087 O MET A 116 -16.429 -21.657 17.753 1.00 13.07 O ATOM 1088 CB MET A 116 -13.497 -20.489 19.003 1.00 12.01 C ATOM 1089 CG MET A 116 -12.697 -19.941 20.179 1.00 12.74 C ATOM 1090 SD MET A 116 -11.062 -20.602 20.442 1.00 13.68 S ATOM 1091 CE MET A 116 -10.073 -19.766 19.198 1.00 13.87 C ATOM 1092 H MET A 116 -15.486 -21.994 20.191 1.00 0.00 H ATOM 1093 N TRP A 117 -15.444 -19.973 16.671 1.00 10.86 N ATOM 1094 CA TRP A 117 -15.915 -20.473 15.373 1.00 11.13 C ATOM 1095 C TRP A 117 -15.345 -21.861 15.159 1.00 10.19 C ATOM 1096 O TRP A 117 -14.223 -22.158 15.510 1.00 9.91 O ATOM 1097 CB TRP A 117 -15.517 -19.544 14.242 1.00 11.81 C ATOM 1098 CG TRP A 117 -16.302 -18.285 14.147 1.00 13.37 C ATOM 1099 CD1 TRP A 117 -16.036 -17.090 14.742 1.00 14.50 C ATOM 1100 CD2 TRP A 117 -17.462 -18.077 13.332 1.00 15.43 C ATOM 1101 NE1 TRP A 117 -16.971 -16.152 14.382 1.00 15.77 N ATOM 1102 CE2 TRP A 117 -17.857 -16.725 13.511 1.00 15.41 C ATOM 1103 CE3 TRP A 117 -18.200 -18.892 12.463 1.00 16.39 C ATOM 1104 CZ2 TRP A 117 -18.964 -16.174 12.857 1.00 17.72 C ATOM 1105 CZ3 TRP A 117 -19.317 -18.329 11.793 1.00 17.35 C ATOM 1106 CH2 TRP A 117 -19.691 -17.009 12.015 1.00 18.61 C ATOM 1107 HE1 TRP A 117 -17.001 -15.168 14.716 1.00 0.00 H ATOM 1108 H TRP A 117 -14.931 -19.070 16.732 1.00 0.00 H ATOM 1109 N PRO A 118 -16.159 -22.759 14.577 1.00 11.01 N ATOM 1110 CA PRO A 118 -15.680 -24.123 14.529 1.00 11.07 C ATOM 1111 C PRO A 118 -14.484 -24.373 13.614 1.00 11.15 C ATOM 1112 O PRO A 118 -13.770 -25.380 13.780 1.00 11.29 O ATOM 1113 CB PRO A 118 -16.864 -24.902 13.998 1.00 12.24 C ATOM 1114 CG PRO A 118 -17.802 -23.946 13.478 1.00 12.72 C ATOM 1115 CD PRO A 118 -17.586 -22.658 14.231 1.00 11.45 C ATOM 1116 N ASP A 119 -14.236 -23.472 12.660 1.00 10.22 N ATOM 1117 CA ASP A 119 -13.046 -23.656 11.811 1.00 10.48 C ATOM 1118 C ASP A 119 -11.748 -23.519 12.610 1.00 9.61 C ATOM 1119 O ASP A 119 -10.709 -24.034 12.222 1.00 9.59 O ATOM 1120 CB ASP A 119 -13.005 -22.638 10.659 1.00 10.62 C ATOM 1121 CG ASP A 119 -13.155 -21.207 11.135 1.00 11.56 C ATOM 1122 OD1 ASP A 119 -14.262 -20.922 11.608 1.00 12.89 O ATOM 1123 OD2 ASP A 119 -12.201 -20.449 10.979 1.00 12.22 O ATOM 1124 H ASP A 119 -14.869 -22.659 12.519 1.00 0.00 H ATOM 1125 N ASP A 120 -11.772 -22.769 13.716 1.00 10.00 N ATOM 1126 CA ASP A 120 -10.557 -22.487 14.476 1.00 10.25 C ATOM 1127 C ASP A 120 -9.871 -23.769 14.956 1.00 10.50 C ATOM 1128 O ASP A 120 -8.672 -23.812 15.005 1.00 10.09 O ATOM 1129 CB ASP A 120 -10.852 -21.589 15.671 1.00 11.33 C ATOM 1130 CG ASP A 120 -11.335 -20.213 15.279 1.00 12.88 C ATOM 1131 OD1 ASP A 120 -11.730 -19.978 14.129 1.00 14.78 O ATOM 1132 OD2 ASP A 120 -11.306 -19.343 16.122 1.00 14.16 O ATOM 1133 H ASP A 120 -12.678 -22.377 14.043 1.00 0.00 H ATOM 1134 N SER A 121 -10.660 -24.789 15.260 1.00 10.06 N ATOM 1135 CA SER A 121 -10.115 -26.107 15.709 1.00 11.43 C ATOM 1136 C SER A 121 -9.195 -26.706 14.668 1.00 11.67 C ATOM 1137 O SER A 121 -8.294 -27.461 15.014 1.00 12.48 O ATOM 1138 CB SER A 121 -11.264 -27.066 16.026 1.00 13.43 C ATOM 1139 OG SER A 121 -11.974 -26.562 17.158 1.00 18.82 O ATOM 1140 HG SER A 121 -12.331 -25.663 16.948 1.00 0.00 H ATOM 1141 H SER A 121 -11.690 -24.669 15.184 1.00 0.00 H ATOM 1142 N TYR A 122 -9.408 -26.356 13.390 1.00 11.44 N ATOM 1143 CA TYR A 122 -8.599 -26.856 12.302 1.00 12.09 C ATOM 1144 C TYR A 122 -7.316 -26.100 12.117 1.00 11.76 C ATOM 1145 O TYR A 122 -6.274 -26.709 11.993 1.00 12.29 O ATOM 1146 CB TYR A 122 -9.379 -26.853 10.989 1.00 12.90 C ATOM 1147 CG TYR A 122 -10.554 -27.801 11.012 1.00 16.07 C ATOM 1148 CD1 TYR A 122 -11.799 -27.403 11.452 1.00 15.84 C ATOM 1149 CD2 TYR A 122 -10.387 -29.082 10.547 1.00 20.70 C ATOM 1150 CE1 TYR A 122 -12.890 -28.275 11.455 1.00 18.84 C ATOM 1151 CE2 TYR A 122 -11.447 -29.954 10.532 1.00 22.28 C ATOM 1152 CZ TYR A 122 -12.694 -29.525 10.979 1.00 21.29 C ATOM 1153 OH TYR A 122 -13.740 -30.444 10.953 1.00 28.28 O ATOM 1154 HH TYR A 122 -14.564 -30.014 11.294 1.00 0.00 H ATOM 1155 H TYR A 122 -10.185 -25.700 13.174 1.00 0.00 H ATOM 1156 N TRP A 123 -7.354 -24.762 12.053 1.00 11.13 N ATOM 1157 CA TRP A 123 -6.152 -23.997 11.739 1.00 11.21 C ATOM 1158 C TRP A 123 -5.407 -23.378 12.892 1.00 11.52 C ATOM 1159 O TRP A 123 -4.236 -23.040 12.755 1.00 11.61 O ATOM 1160 CB TRP A 123 -6.469 -22.905 10.716 1.00 11.43 C ATOM 1161 CG TRP A 123 -7.508 -21.892 11.139 1.00 10.89 C ATOM 1162 CD1 TRP A 123 -8.855 -21.925 10.867 1.00 10.83 C ATOM 1163 CD2 TRP A 123 -7.288 -20.720 11.868 1.00 11.14 C ATOM 1164 NE1 TRP A 123 -9.469 -20.853 11.380 1.00 10.41 N ATOM 1165 CE2 TRP A 123 -8.544 -20.069 11.993 1.00 11.03 C ATOM 1166 CE3 TRP A 123 -6.154 -20.121 12.414 1.00 11.57 C ATOM 1167 CZ2 TRP A 123 -8.705 -18.869 12.681 1.00 12.47 C ATOM 1168 CZ3 TRP A 123 -6.299 -18.933 13.075 1.00 13.04 C ATOM 1169 CH2 TRP A 123 -7.579 -18.317 13.207 1.00 13.59 C ATOM 1170 HE1 TRP A 123 -10.488 -20.652 11.320 1.00 0.00 H ATOM 1171 H TRP A 123 -8.250 -24.264 12.229 1.00 0.00 H ATOM 1172 N PHE A 124 -6.047 -23.190 14.040 1.00 11.97 N ATOM 1173 CA PHE A 124 -5.307 -22.657 15.196 1.00 13.65 C ATOM 1174 C PHE A 124 -4.053 -23.460 15.555 1.00 14.17 C ATOM 1175 O PHE A 124 -3.000 -22.851 15.834 1.00 15.34 O ATOM 1176 CB PHE A 124 -6.233 -22.538 16.402 1.00 15.82 C ATOM 1177 CG PHE A 124 -6.218 -21.211 17.033 1.00 17.27 C ATOM 1178 CD1 PHE A 124 -6.945 -20.152 16.502 1.00 20.84 C ATOM 1179 CD2 PHE A 124 -5.477 -21.022 18.176 1.00 19.55 C ATOM 1180 CE1 PHE A 124 -6.930 -18.934 17.153 1.00 23.29 C ATOM 1181 CE2 PHE A 124 -5.452 -19.793 18.822 1.00 23.24 C ATOM 1182 CZ PHE A 124 -6.177 -18.759 18.293 1.00 21.67 C ATOM 1183 H PHE A 124 -7.059 -23.416 14.122 1.00 0.00 H ATOM 1184 N PRO A 125 -4.138 -24.793 15.567 1.00 13.48 N ATOM 1185 CA PRO A 125 -2.933 -25.591 15.827 1.00 15.59 C ATOM 1186 C PRO A 125 -1.783 -25.322 14.867 1.00 15.71 C ATOM 1187 O PRO A 125 -0.593 -25.381 15.271 1.00 17.60 O ATOM 1188 CB PRO A 125 -3.432 -27.050 15.746 1.00 15.99 C ATOM 1189 CG PRO A 125 -4.895 -26.941 16.073 1.00 17.21 C ATOM 1190 CD PRO A 125 -5.347 -25.644 15.464 1.00 15.61 C ATOM 1191 N LEU A 126 -2.085 -24.976 13.618 1.00 14.71 N ATOM 1192 CA LEU A 126 -1.047 -24.583 12.660 1.00 14.38 C ATOM 1193 C LEU A 126 -0.477 -23.257 13.037 1.00 14.59 C ATOM 1194 O LEU A 126 0.735 -23.105 13.072 1.00 15.00 O ATOM 1195 CB LEU A 126 -1.614 -24.552 11.221 1.00 14.67 C ATOM 1196 CG LEU A 126 -2.276 -25.831 10.677 1.00 15.97 C ATOM 1197 CD1 LEU A 126 -2.683 -25.631 9.236 1.00 16.62 C ATOM 1198 CD2 LEU A 126 -1.332 -27.023 10.778 1.00 18.02 C ATOM 1199 H LEU A 126 -3.080 -24.985 13.315 1.00 0.00 H ATOM 1200 N LEU A 127 -1.346 -22.275 13.377 1.00 15.13 N ATOM 1201 CA LEU A 127 -0.841 -20.962 13.798 1.00 17.55 C ATOM 1202 C LEU A 127 0.100 -21.080 14.997 1.00 17.45 C ATOM 1203 O LEU A 127 1.188 -20.485 14.987 1.00 17.93 O ATOM 1204 CB LEU A 127 -2.027 -20.027 14.093 1.00 18.21 C ATOM 1205 CG LEU A 127 -1.652 -18.548 14.290 1.00 21.55 C ATOM 1206 CD1 LEU A 127 -2.641 -17.610 13.625 1.00 22.69 C ATOM 1207 CD2 LEU A 127 -1.649 -18.291 15.757 1.00 23.97 C ATOM 1208 H LEU A 127 -2.370 -22.451 13.340 1.00 0.00 H ATOM 1209 N LEU A 128 -0.257 -21.924 15.940 1.00 16.82 N ATOM 1210 CA LEU A 128 0.529 -22.099 17.189 1.00 19.20 C ATOM 1211 C LEU A 128 1.893 -22.731 16.953 1.00 21.29 C ATOM 1212 O LEU A 128 2.790 -22.543 17.775 1.00 21.16 O ATOM 1213 CB LEU A 128 -0.241 -22.897 18.205 1.00 20.34 C ATOM 1214 CG LEU A 128 -1.495 -22.188 18.739 1.00 20.62 C ATOM 1215 CD1 LEU A 128 -2.157 -23.155 19.709 1.00 22.29 C ATOM 1216 CD2 LEU A 128 -1.173 -20.844 19.364 1.00 22.04 C ATOM 1217 H LEU A 128 -1.120 -22.489 15.807 1.00 0.00 H ATOM 1218 N GLN A 129 2.025 -23.498 15.864 1.00 18.75 N ATOM 1219 CA GLN A 129 3.272 -24.169 15.511 1.00 20.09 C ATOM 1220 C GLN A 129 4.049 -23.358 14.473 1.00 19.15 C ATOM 1221 O GLN A 129 4.984 -23.864 13.871 1.00 18.97 O ATOM 1222 CB GLN A 129 2.910 -25.581 15.030 1.00 21.95 C ATOM 1223 CG GLN A 129 4.032 -26.534 14.686 1.00 26.33 C ATOM 1224 CD GLN A 129 3.534 -27.946 14.439 1.00 28.42 C ATOM 1225 OE1 GLN A 129 2.451 -28.334 14.922 1.00 27.61 O ATOM 1226 NE2 GLN A 129 4.337 -28.743 13.694 1.00 28.56 N ATOM 1227 HE22 GLN A 129 5.231 -28.371 13.314 1.00 0.00 H ATOM 1228 HE21 GLN A 129 4.060 -29.727 13.502 1.00 0.00 H ATOM 1229 H GLN A 129 1.201 -23.621 15.241 1.00 0.00 H ATOM 1230 N LYS A 130 3.663 -22.100 14.276 1.00 19.08 N ATOM 1231 CA LYS A 130 4.306 -21.153 13.381 1.00 21.59 C ATOM 1232 C LYS A 130 4.260 -21.610 11.915 1.00 21.02 C ATOM 1233 O LYS A 130 5.180 -21.327 11.122 1.00 22.29 O ATOM 1234 CB LYS A 130 5.744 -20.880 13.835 1.00 23.90 C ATOM 1235 CG LYS A 130 5.832 -20.241 15.205 1.00 27.67 C ATOM 1236 CD LYS A 130 7.230 -19.660 15.397 1.00 32.81 C ATOM 1237 CE LYS A 130 7.433 -18.313 14.687 1.00 38.07 C ATOM 1238 NZ LYS A 130 6.747 -17.168 15.383 1.00 41.33 N ATOM 1239 HZ1 LYS A 130 5.724 -17.352 15.424 1.00 0.00 H ATOM 1240 HZ2 LYS A 130 7.123 -17.075 16.348 1.00 0.00 H ATOM 1241 HZ3 LYS A 130 6.922 -16.289 14.856 1.00 0.00 H ATOM 1242 H LYS A 130 2.833 -21.767 14.806 1.00 0.00 H ATOM 1243 N LYS A 131 3.183 -22.306 11.538 1.00 17.32 N ATOM 1244 CA LYS A 131 2.990 -22.705 10.178 1.00 16.72 C ATOM 1245 C LYS A 131 2.103 -21.664 9.489 1.00 16.74 C ATOM 1246 O LYS A 131 1.336 -20.917 10.162 1.00 19.11 O ATOM 1247 CB LYS A 131 2.359 -24.078 10.107 1.00 18.67 C ATOM 1248 CG LYS A 131 3.155 -25.187 10.805 1.00 21.80 C ATOM 1249 CD LYS A 131 2.386 -26.475 10.671 1.00 25.37 C ATOM 1250 CE LYS A 131 3.222 -27.752 10.660 1.00 25.87 C ATOM 1251 NZ LYS A 131 2.382 -29.011 10.626 1.00 24.39 N ATOM 1252 HZ1 LYS A 131 1.771 -29.041 11.467 1.00 0.00 H ATOM 1253 HZ2 LYS A 131 1.794 -29.011 9.768 1.00 0.00 H ATOM 1254 HZ3 LYS A 131 3.006 -29.843 10.620 1.00 0.00 H ATOM 1255 H LYS A 131 2.469 -22.563 12.249 1.00 0.00 H ATOM 1256 N LYS A 132 2.240 -21.575 8.174 1.00 14.89 N ATOM 1257 CA LYS A 132 1.387 -20.711 7.350 1.00 13.85 C ATOM 1258 C LYS A 132 0.432 -21.550 6.588 1.00 12.53 C ATOM 1259 O LYS A 132 0.724 -22.705 6.300 1.00 12.95 O ATOM 1260 CB LYS A 132 2.237 -19.877 6.397 1.00 15.27 C ATOM 1261 CG LYS A 132 3.090 -18.869 7.142 1.00 17.93 C ATOM 1262 CD LYS A 132 4.094 -18.141 6.294 1.00 21.70 C ATOM 1263 CE LYS A 132 4.949 -17.262 7.196 1.00 26.25 C ATOM 1264 NZ LYS A 132 5.792 -16.335 6.410 1.00 30.96 N ATOM 1265 HZ1 LYS A 132 6.422 -16.883 5.790 1.00 0.00 H ATOM 1266 HZ2 LYS A 132 5.184 -15.721 5.832 1.00 0.00 H ATOM 1267 HZ3 LYS A 132 6.361 -15.752 7.057 1.00 0.00 H ATOM 1268 H LYS A 132 2.980 -22.139 7.709 1.00 0.00 H ATOM 1269 N PHE A 133 -0.738 -21.011 6.249 1.00 11.65 N ATOM 1270 CA PHE A 133 -1.757 -21.856 5.619 1.00 12.13 C ATOM 1271 C PHE A 133 -2.716 -21.120 4.678 1.00 11.28 C ATOM 1272 O PHE A 133 -2.856 -19.907 4.777 1.00 10.83 O ATOM 1273 CB PHE A 133 -2.558 -22.537 6.718 1.00 12.27 C ATOM 1274 CG PHE A 133 -3.189 -21.577 7.694 1.00 12.46 C ATOM 1275 CD1 PHE A 133 -4.439 -20.978 7.437 1.00 13.33 C ATOM 1276 CD2 PHE A 133 -2.524 -21.240 8.863 1.00 14.08 C ATOM 1277 CE1 PHE A 133 -4.962 -20.069 8.327 1.00 13.73 C ATOM 1278 CE2 PHE A 133 -3.052 -20.332 9.769 1.00 14.99 C ATOM 1279 CZ PHE A 133 -4.291 -19.746 9.497 1.00 14.43 C ATOM 1280 H PHE A 133 -0.926 -20.004 6.429 1.00 0.00 H ATOM 1281 N HIS A 134 -3.322 -21.894 3.768 1.00 10.73 N ATOM 1282 CA HIS A 134 -4.435 -21.492 2.925 1.00 11.39 C ATOM 1283 C HIS A 134 -5.570 -22.401 3.245 1.00 12.17 C ATOM 1284 O HIS A 134 -5.418 -23.652 3.235 1.00 12.97 O ATOM 1285 CB HIS A 134 -4.151 -21.595 1.445 1.00 12.27 C ATOM 1286 CG HIS A 134 -3.221 -20.557 0.930 1.00 13.56 C ATOM 1287 ND1 HIS A 134 -2.745 -20.584 -0.364 1.00 17.78 N ATOM 1288 CD2 HIS A 134 -2.691 -19.451 1.501 1.00 15.73 C ATOM 1289 CE1 HIS A 134 -1.951 -19.547 -0.559 1.00 18.18 C ATOM 1290 NE2 HIS A 134 -1.922 -18.826 0.545 1.00 18.86 N ATOM 1291 H HIS A 134 -2.966 -22.865 3.655 1.00 0.00 H ATOM 1292 N GLY A 135 -6.734 -21.808 3.498 1.00 11.47 N ATOM 1293 CA GLY A 135 -7.917 -22.596 3.860 1.00 11.60 C ATOM 1294 C GLY A 135 -9.182 -22.134 3.138 1.00 11.22 C ATOM 1295 O GLY A 135 -9.268 -20.997 2.644 1.00 10.38 O ATOM 1296 H GLY A 135 -6.806 -20.772 3.438 1.00 0.00 H ATOM 1297 N TYR A 136 -10.182 -23.023 3.137 1.00 11.10 N ATOM 1298 CA TYR A 136 -11.497 -22.729 2.608 1.00 12.27 C ATOM 1299 C TYR A 136 -12.456 -23.505 3.444 1.00 11.18 C ATOM 1300 O TYR A 136 -12.287 -24.702 3.622 1.00 12.64 O ATOM 1301 CB TYR A 136 -11.613 -23.173 1.138 1.00 14.22 C ATOM 1302 CG TYR A 136 -13.028 -23.390 0.696 1.00 16.44 C ATOM 1303 CD1 TYR A 136 -13.809 -22.327 0.357 1.00 17.10 C ATOM 1304 CD2 TYR A 136 -13.608 -24.665 0.671 1.00 18.33 C ATOM 1305 CE1 TYR A 136 -15.127 -22.485 -0.020 1.00 16.19 C ATOM 1306 CE2 TYR A 136 -14.937 -24.834 0.267 1.00 19.16 C ATOM 1307 CZ TYR A 136 -15.671 -23.719 -0.091 1.00 20.58 C ATOM 1308 OH TYR A 136 -16.974 -23.846 -0.521 1.00 24.02 O ATOM 1309 HH TYR A 136 -17.339 -22.950 -0.732 1.00 0.00 H ATOM 1310 H TYR A 136 -10.007 -23.968 3.534 1.00 0.00 H ATOM 1311 N PHE A 137 -13.514 -22.865 3.887 1.00 9.29 N ATOM 1312 CA PHE A 137 -14.528 -23.518 4.688 1.00 9.38 C ATOM 1313 C PHE A 137 -15.877 -23.112 4.160 1.00 9.70 C ATOM 1314 O PHE A 137 -16.172 -21.926 4.029 1.00 9.73 O ATOM 1315 CB PHE A 137 -14.440 -23.115 6.173 1.00 9.51 C ATOM 1316 CG PHE A 137 -13.205 -23.625 6.852 1.00 9.59 C ATOM 1317 CD1 PHE A 137 -12.005 -22.940 6.762 1.00 10.21 C ATOM 1318 CD2 PHE A 137 -13.270 -24.762 7.594 1.00 9.57 C ATOM 1319 CE1 PHE A 137 -10.838 -23.449 7.364 1.00 10.60 C ATOM 1320 CE2 PHE A 137 -12.141 -25.291 8.165 1.00 10.22 C ATOM 1321 CZ PHE A 137 -10.944 -24.625 8.080 1.00 10.53 C ATOM 1322 H PHE A 137 -13.627 -21.857 3.655 1.00 0.00 H ATOM 1323 N LYS A 138 -16.720 -24.125 3.932 1.00 9.37 N ATOM 1324 CA LYS A 138 -18.104 -23.928 3.509 1.00 10.42 C ATOM 1325 C LYS A 138 -19.002 -24.217 4.675 1.00 10.27 C ATOM 1326 O LYS A 138 -18.992 -25.355 5.197 1.00 10.35 O ATOM 1327 CB LYS A 138 -18.432 -24.886 2.325 1.00 12.49 C ATOM 1328 CG LYS A 138 -19.908 -24.791 1.893 1.00 14.65 C ATOM 1329 CD LYS A 138 -20.304 -25.782 0.781 1.00 18.83 C ATOM 1330 CE LYS A 138 -19.419 -25.857 -0.433 1.00 21.57 C ATOM 1331 NZ LYS A 138 -19.852 -27.079 -1.218 1.00 23.07 N ATOM 1332 HZ1 LYS A 138 -19.740 -27.927 -0.627 1.00 0.00 H ATOM 1333 HZ2 LYS A 138 -20.849 -26.977 -1.494 1.00 0.00 H ATOM 1334 HZ3 LYS A 138 -19.263 -27.169 -2.070 1.00 0.00 H ATOM 1335 H LYS A 138 -16.374 -25.097 4.062 1.00 0.00 H ATOM 1336 N PHE A 139 -19.763 -23.206 5.091 1.00 9.74 N ATOM 1337 CA PHE A 139 -20.652 -23.294 6.237 1.00 11.16 C ATOM 1338 C PHE A 139 -22.108 -23.344 5.805 1.00 12.49 C ATOM 1339 O PHE A 139 -22.460 -22.723 4.821 1.00 13.23 O ATOM 1340 CB PHE A 139 -20.488 -22.025 7.087 1.00 11.55 C ATOM 1341 CG PHE A 139 -19.378 -22.058 8.069 1.00 11.72 C ATOM 1342 CD1 PHE A 139 -18.098 -21.778 7.715 1.00 13.05 C ATOM 1343 CD2 PHE A 139 -19.666 -22.250 9.412 1.00 12.77 C ATOM 1344 CE1 PHE A 139 -17.053 -21.806 8.650 1.00 12.53 C ATOM 1345 CE2 PHE A 139 -18.631 -22.230 10.374 1.00 13.07 C ATOM 1346 CZ PHE A 139 -17.325 -21.992 9.977 1.00 12.00 C ATOM 1347 H PHE A 139 -19.719 -22.308 4.569 1.00 0.00 H ATOM 1348 N GLN A 140 -22.908 -24.056 6.581 1.00 13.22 N ATOM 1349 CA GLN A 140 -24.357 -23.945 6.517 1.00 15.90 C ATOM 1350 C GLN A 140 -24.807 -23.373 7.836 1.00 16.17 C ATOM 1351 O GLN A 140 -24.662 -23.995 8.865 1.00 18.34 O ATOM 1352 CB GLN A 140 -25.021 -25.308 6.233 1.00 18.93 C ATOM 1353 CG GLN A 140 -26.532 -25.150 5.894 1.00 21.94 C ATOM 1354 CD GLN A 140 -27.050 -26.257 4.980 1.00 26.50 C ATOM 1355 OE1 GLN A 140 -26.792 -27.419 5.225 1.00 32.88 O ATOM 1356 NE2 GLN A 140 -27.847 -25.895 3.960 1.00 32.27 N ATOM 1357 HE22 GLN A 140 -28.042 -24.889 3.785 1.00 0.00 H ATOM 1358 HE21 GLN A 140 -28.268 -26.621 3.346 1.00 0.00 H ATOM 1359 H GLN A 140 -22.486 -24.719 7.262 1.00 0.00 H ATOM 1360 N GLY A 141 -25.258 -22.131 7.801 1.00 16.04 N ATOM 1361 CA GLY A 141 -25.447 -21.355 9.002 1.00 17.71 C ATOM 1362 C GLY A 141 -24.125 -21.117 9.691 1.00 18.17 C ATOM 1363 O GLY A 141 -23.069 -21.261 9.064 1.00 22.07 O ATOM 1364 H GLY A 141 -25.483 -21.701 6.881 1.00 0.00 H ATOM 1365 N GLN A 142 -24.153 -20.768 10.970 1.00 18.57 N ATOM 1366 CA GLN A 142 -22.876 -20.414 11.647 1.00 19.46 C ATOM 1367 C GLN A 142 -22.221 -21.534 12.447 1.00 18.95 C ATOM 1368 O GLN A 142 -21.110 -21.341 12.954 1.00 18.13 O ATOM 1369 CB GLN A 142 -23.048 -19.187 12.522 1.00 23.55 C ATOM 1370 CG GLN A 142 -23.520 -17.996 11.694 1.00 26.10 C ATOM 1371 CD GLN A 142 -23.638 -16.676 12.466 1.00 30.91 C ATOM 1372 OE1 GLN A 142 -23.416 -16.607 13.669 1.00 31.46 O ATOM 1373 NE2 GLN A 142 -23.988 -15.609 11.736 1.00 33.98 N ATOM 1374 HE22 GLN A 142 -24.167 -15.712 10.717 1.00 0.00 H ATOM 1375 HE21 GLN A 142 -24.080 -14.677 12.188 1.00 0.00 H ATOM 1376 H GLN A 142 -25.053 -20.742 11.491 1.00 0.00 H ATOM 1377 N ASP A 143 -22.864 -22.702 12.547 1.00 17.43 N ATOM 1378 CA ASP A 143 -22.368 -23.762 13.405 1.00 19.16 C ATOM 1379 C ASP A 143 -21.896 -24.997 12.654 1.00 18.10 C ATOM 1380 O ASP A 143 -21.263 -25.862 13.295 1.00 18.74 O ATOM 1381 CB ASP A 143 -23.461 -24.191 14.378 1.00 21.93 C ATOM 1382 CG ASP A 143 -23.931 -23.071 15.274 1.00 26.55 C ATOM 1383 OD1 ASP A 143 -23.179 -22.095 15.533 1.00 25.90 O ATOM 1384 OD2 ASP A 143 -25.095 -23.172 15.712 1.00 31.93 O ATOM 1385 H ASP A 143 -23.735 -22.854 12.000 1.00 0.00 H ATOM 1386 N THR A 144 -22.182 -25.093 11.334 1.00 15.05 N ATOM 1387 CA THR A 144 -21.950 -26.341 10.629 1.00 14.06 C ATOM 1388 C THR A 144 -20.995 -26.168 9.484 1.00 12.45 C ATOM 1389 O THR A 144 -21.276 -25.404 8.558 1.00 12.25 O ATOM 1390 CB THR A 144 -23.273 -26.943 10.100 1.00 15.26 C ATOM 1391 OG1 THR A 144 -24.163 -27.077 11.197 1.00 17.20 O ATOM 1392 CG2 THR A 144 -23.047 -28.320 9.430 1.00 15.12 C ATOM 1393 HG1 THR A 144 -24.328 -26.187 11.597 1.00 0.00 H ATOM 1394 H THR A 144 -22.568 -24.272 10.825 1.00 0.00 H ATOM 1395 N ILE A 145 -19.877 -26.888 9.542 1.00 11.11 N ATOM 1396 CA ILE A 145 -18.949 -26.978 8.400 1.00 10.71 C ATOM 1397 C ILE A 145 -19.364 -28.138 7.493 1.00 11.12 C ATOM 1398 O ILE A 145 -19.377 -29.282 7.932 1.00 11.18 O ATOM 1399 CB ILE A 145 -17.489 -27.116 8.869 1.00 11.04 C ATOM 1400 CG1 ILE A 145 -17.078 -25.859 9.641 1.00 12.39 C ATOM 1401 CG2 ILE A 145 -16.561 -27.332 7.705 1.00 11.19 C ATOM 1402 CD1 ILE A 145 -15.783 -26.056 10.408 1.00 13.07 C ATOM 1403 H ILE A 145 -19.652 -27.402 10.418 1.00 0.00 H ATOM 1404 N LEU A 146 -19.773 -27.820 6.282 1.00 10.90 N ATOM 1405 CA LEU A 146 -20.162 -28.849 5.296 1.00 12.83 C ATOM 1406 C LEU A 146 -18.937 -29.482 4.691 1.00 14.05 C ATOM 1407 O LEU A 146 -18.921 -30.705 4.516 1.00 16.52 O ATOM 1408 CB LEU A 146 -21.015 -28.280 4.212 1.00 12.88 C ATOM 1409 CG LEU A 146 -22.357 -27.708 4.661 1.00 14.05 C ATOM 1410 CD1 LEU A 146 -23.003 -27.142 3.434 1.00 15.47 C ATOM 1411 CD2 LEU A 146 -23.246 -28.749 5.349 1.00 15.40 C ATOM 1412 H LEU A 146 -19.823 -26.817 6.013 1.00 0.00 H ATOM 1413 N ASP A 147 -17.960 -28.676 4.287 1.00 13.95 N ATOM 1414 CA ASP A 147 -16.705 -29.146 3.734 1.00 14.76 C ATOM 1415 C ASP A 147 -15.636 -28.094 3.831 1.00 12.64 C ATOM 1416 O ASP A 147 -15.913 -26.951 4.116 1.00 11.94 O ATOM 1417 CB ASP A 147 -16.761 -29.690 2.295 1.00 20.26 C ATOM 1418 CG ASP A 147 -17.417 -28.801 1.358 1.00 26.48 C ATOM 1419 OD1 ASP A 147 -16.769 -27.833 0.920 1.00 36.91 O ATOM 1420 OD2 ASP A 147 -18.588 -29.110 1.006 1.00 36.04 O ATOM 1421 H ASP A 147 -18.104 -27.650 4.373 1.00 0.00 H ATOM 1422 N TYR A 148 -14.406 -28.535 3.726 1.00 11.68 N ATOM 1423 CA TYR A 148 -13.300 -27.611 3.843 1.00 11.76 C ATOM 1424 C TYR A 148 -12.069 -28.119 3.184 1.00 11.83 C ATOM 1425 O TYR A 148 -11.949 -29.326 2.924 1.00 13.52 O ATOM 1426 CB TYR A 148 -12.960 -27.306 5.322 1.00 11.62 C ATOM 1427 CG TYR A 148 -12.132 -28.383 5.979 1.00 12.75 C ATOM 1428 CD1 TYR A 148 -12.695 -29.578 6.317 1.00 13.61 C ATOM 1429 CD2 TYR A 148 -10.795 -28.205 6.232 1.00 13.11 C ATOM 1430 CE1 TYR A 148 -11.954 -30.590 6.894 1.00 16.04 C ATOM 1431 CE2 TYR A 148 -10.033 -29.195 6.817 1.00 14.90 C ATOM 1432 CZ TYR A 148 -10.619 -30.373 7.152 1.00 15.86 C ATOM 1433 OH TYR A 148 -9.822 -31.348 7.699 1.00 19.45 O ATOM 1434 HH TYR A 148 -9.417 -31.010 8.537 1.00 0.00 H ATOM 1435 H TYR A 148 -14.226 -29.546 3.559 1.00 0.00 H ATOM 1436 N THR A 149 -11.155 -27.204 2.920 1.00 12.36 N ATOM 1437 CA THR A 149 -9.794 -27.584 2.569 1.00 13.37 C ATOM 1438 C THR A 149 -8.827 -26.774 3.395 1.00 12.58 C ATOM 1439 O THR A 149 -9.085 -25.620 3.762 1.00 12.54 O ATOM 1440 CB THR A 149 -9.480 -27.348 1.052 1.00 15.26 C ATOM 1441 OG1 THR A 149 -9.527 -25.960 0.748 1.00 18.42 O ATOM 1442 CG2 THR A 149 -10.419 -28.121 0.163 1.00 16.87 C ATOM 1443 HG1 THR A 149 -8.856 -25.480 1.296 1.00 0.00 H ATOM 1444 H THR A 149 -11.411 -26.197 2.963 1.00 0.00 H ATOM 1445 N LEU A 150 -7.678 -27.343 3.709 1.00 11.98 N ATOM 1446 CA LEU A 150 -6.682 -26.627 4.485 1.00 12.66 C ATOM 1447 C LEU A 150 -5.311 -27.164 4.172 1.00 14.22 C ATOM 1448 O LEU A 150 -5.078 -28.377 4.351 1.00 16.75 O ATOM 1449 CB LEU A 150 -6.957 -26.807 5.996 1.00 12.44 C ATOM 1450 CG LEU A 150 -6.053 -26.007 6.948 1.00 12.70 C ATOM 1451 CD1 LEU A 150 -6.100 -24.496 6.727 1.00 13.03 C ATOM 1452 CD2 LEU A 150 -6.405 -26.409 8.390 1.00 14.05 C ATOM 1453 H LEU A 150 -7.484 -28.316 3.397 1.00 0.00 H ATOM 1454 N ARG A 151 -4.413 -26.302 3.747 1.00 15.42 N ATOM 1455 CA ARG A 151 -3.055 -26.763 3.477 1.00 17.05 C ATOM 1456 C ARG A 151 -2.028 -25.805 3.949 1.00 15.80 C ATOM 1457 O ARG A 151 -2.199 -24.574 3.936 1.00 15.20 O ATOM 1458 CB ARG A 151 -2.895 -27.098 1.993 1.00 21.31 C ATOM 1459 CG ARG A 151 -2.728 -25.940 1.070 1.00 23.99 C ATOM 1460 CD ARG A 151 -2.712 -26.332 -0.416 1.00 29.21 C ATOM 1461 NE ARG A 151 -2.718 -25.099 -1.225 1.00 32.28 N ATOM 1462 CZ ARG A 151 -1.641 -24.498 -1.727 1.00 36.22 C ATOM 1463 NH1 ARG A 151 -1.774 -23.344 -2.401 1.00 39.25 N ATOM 1464 NH2 ARG A 151 -0.432 -25.032 -1.574 1.00 37.43 N ATOM 1465 HE ARG A 151 -3.641 -24.662 -1.420 1.00 0.00 H ATOM 1466 HH12 ARG A 151 -0.935 -22.872 -2.794 1.00 0.00 H ATOM 1467 HH11 ARG A 151 -2.716 -22.922 -2.530 1.00 0.00 H ATOM 1468 HH22 ARG A 151 0.402 -24.553 -1.971 1.00 0.00 H ATOM 1469 HH21 ARG A 151 -0.321 -25.928 -1.058 1.00 0.00 H ATOM 1470 H ARG A 151 -4.668 -25.304 3.605 1.00 0.00 H ATOM 1471 N GLU A 152 -0.919 -26.383 4.363 1.00 14.94 N ATOM 1472 CA GLU A 152 0.251 -25.596 4.735 1.00 15.58 C ATOM 1473 C GLU A 152 0.996 -25.046 3.529 1.00 15.64 C ATOM 1474 O GLU A 152 1.061 -25.693 2.480 1.00 16.32 O ATOM 1475 CB GLU A 152 1.184 -26.470 5.559 1.00 18.38 C ATOM 1476 CG GLU A 152 0.617 -26.737 6.895 1.00 21.07 C ATOM 1477 CD GLU A 152 1.476 -27.668 7.708 1.00 24.23 C ATOM 1478 OE1 GLU A 152 2.723 -27.611 7.589 1.00 27.70 O ATOM 1479 OE2 GLU A 152 0.875 -28.417 8.497 1.00 25.77 O ATOM 1480 H GLU A 152 -0.877 -27.420 4.426 1.00 0.00 H ATOM 1481 N VAL A 153 1.518 -23.828 3.638 1.00 13.87 N ATOM 1482 CA VAL A 153 2.199 -23.206 2.541 1.00 14.87 C ATOM 1483 C VAL A 153 3.465 -22.538 3.052 1.00 15.35 C ATOM 1484 O VAL A 153 3.556 -22.207 4.239 1.00 14.20 O ATOM 1485 CB VAL A 153 1.299 -22.175 1.843 1.00 15.10 C ATOM 1486 CG1 VAL A 153 0.051 -22.854 1.257 1.00 15.27 C ATOM 1487 CG2 VAL A 153 0.952 -21.045 2.769 1.00 15.30 C ATOM 1488 H VAL A 153 1.430 -23.316 4.539 1.00 0.00 H ATOM 1489 N ASP A 154 4.436 -22.294 2.172 1.00 16.18 N ATOM 1490 CA ASP A 154 5.612 -21.545 2.576 1.00 18.37 C ATOM 1491 C ASP A 154 5.414 -20.045 2.508 1.00 18.41 C ATOM 1492 O ASP A 154 6.027 -19.319 3.293 1.00 20.88 O ATOM 1493 CB ASP A 154 6.850 -21.911 1.762 1.00 20.10 C ATOM 1494 CG ASP A 154 7.278 -23.321 1.959 1.00 22.90 C ATOM 1495 OD1 ASP A 154 7.223 -23.855 3.083 1.00 25.49 O ATOM 1496 OD2 ASP A 154 7.733 -23.896 0.960 1.00 28.94 O ATOM 1497 H ASP A 154 4.351 -22.641 1.195 1.00 0.00 H ATOM 1498 N THR A 155 4.597 -19.559 1.590 1.00 20.70 N ATOM 1499 CA THR A 155 4.268 -18.140 1.601 1.00 20.90 C ATOM 1500 C THR A 155 2.765 -17.974 1.394 1.00 18.14 C ATOM 1501 O THR A 155 2.142 -18.719 0.648 1.00 18.10 O ATOM 1502 CB THR A 155 5.045 -17.315 0.569 1.00 24.90 C ATOM 1503 OG1 THR A 155 4.723 -17.759 -0.732 1.00 24.08 O ATOM 1504 CG2 THR A 155 6.541 -17.414 0.778 1.00 27.33 C ATOM 1505 HG1 THR A 155 3.751 -17.649 -0.886 1.00 0.00 H ATOM 1506 H THR A 155 4.192 -20.185 0.865 1.00 0.00 H ATOM 1507 N VAL A 156 2.211 -17.001 2.088 1.00 18.93 N ATOM 1508 CA VAL A 156 0.753 -16.808 2.162 1.00 19.61 C ATOM 1509 C VAL A 156 0.278 -16.116 0.899 1.00 23.33 C ATOM 1510 O VAL A 156 -0.769 -16.492 0.317 1.00 24.50 O ATOM 1511 CB VAL A 156 0.371 -15.967 3.409 1.00 20.97 C ATOM 1512 CG1 VAL A 156 -1.146 -15.805 3.513 1.00 21.37 C ATOM 1513 CG2 VAL A 156 0.896 -16.588 4.673 1.00 22.68 C ATOM 1514 OXT VAL A 156 0.949 -15.174 0.432 1.00 22.99 O ATOM 1515 H VAL A 156 2.828 -16.342 2.605 1.00 0.00 H TER 1516 VAL A 156 HETATM 1517 O HOH 1 -15.667 -29.984 11.066 1.00 34.82 O HETATM 1518 O HOH 2 4.221 -21.112 -0.905 1.00 21.07 O HETATM 1519 O HOH 3 -3.242 -16.255 30.285 1.00 35.50 O HETATM 1520 O HOH 4 3.630 -16.026 27.252 1.00 39.94 O HETATM 1521 O HOH 5 -13.596 5.163 -3.087 1.00 26.55 O HETATM 1522 O HOH 6 -19.540 -6.205 19.257 1.00 31.78 O HETATM 1523 O HOH 7 -2.920 1.715 3.982 1.00 31.07 O HETATM 1524 O HOH 8 -15.693 -10.401 -6.905 1.00 51.90 O HETATM 1525 O HOH 9 1.093 -20.204 -1.320 1.00 24.28 O HETATM 1526 O HOH 10 0.716 -1.555 4.256 1.00 29.92 O HETATM 1527 O HOH 11 -28.581 -15.318 -1.964 1.00 28.12 O HETATM 1528 O HOH 12 -18.722 -10.478 3.100 1.00 24.68 O HETATM 1529 O HOH 13 -6.190 -19.731 30.376 1.00 22.58 O HETATM 1530 O HOH 14 -10.787 -10.561 -2.161 1.00 36.40 O HETATM 1531 O HOH 15 -5.683 -11.612 19.235 1.00 13.42 O HETATM 1532 O HOH 16 -5.314 2.374 7.916 1.00 29.25 O HETATM 1533 O HOH 17 -4.303 -22.730 -2.107 1.00 39.25 O HETATM 1534 O HOH 18 -12.230 -3.095 23.265 1.00 20.25 O HETATM 1535 O HOH 19 -25.274 -24.121 11.410 1.00 24.33 O HETATM 1536 O HOH 20 -13.463 -1.936 8.988 1.00 37.89 O HETATM 1537 O HOH 21 -21.173 -16.841 15.014 1.00 35.77 O HETATM 1538 O HOH 22 -23.971 -20.083 17.031 1.00 42.14 O HETATM 1539 O HOH 23 -17.848 -33.084 4.153 1.00 41.03 O HETATM 1540 O HOH 24 4.515 -25.785 6.914 1.00 33.75 O HETATM 1541 O HOH 25 -8.116 -26.200 24.307 1.00 35.86 O HETATM 1542 O HOH 26 -10.454 -21.767 28.659 1.00 31.97 O HETATM 1543 O HOH 27 -13.536 -17.804 16.622 1.00 11.06 O HETATM 1544 O HOH 28 -9.346 -4.742 8.431 1.00 17.45 O HETATM 1545 O HOH 29 -14.634 -27.621 15.012 1.00 23.28 O HETATM 1546 O HOH 30 -20.989 -31.886 3.236 1.00 28.86 O HETATM 1547 O HOH 31 -13.223 6.166 0.296 1.00 17.96 O HETATM 1548 O HOH 32 0.557 -23.928 -6.223 1.00 31.46 O HETATM 1549 O HOH 33 -12.450 1.613 19.818 1.00 33.85 O HETATM 1550 O HOH 34 5.446 -9.779 15.986 1.00 34.87 O HETATM 1551 O HOH 35 -22.546 -19.190 -1.771 1.00 28.23 O HETATM 1552 O HOH 36 -3.730 4.525 -0.338 1.00 25.72 O HETATM 1553 O HOH 37 -15.671 -19.577 27.047 1.00 32.29 O HETATM 1554 O HOH 38 -23.477 -13.976 14.528 1.00 32.43 O HETATM 1555 O HOH 39 2.060 -18.962 11.988 1.00 33.55 O HETATM 1556 O HOH 40 -9.608 -17.065 16.326 1.00 21.90 O HETATM 1557 O HOH 41 -2.212 -11.812 3.216 1.00 31.40 O HETATM 1558 O HOH 42 -13.317 -24.082 17.295 1.00 12.20 O HETATM 1559 O HOH 43 -7.048 -24.745 1.077 1.00 29.81 O HETATM 1560 O HOH 44 -12.825 -28.588 18.893 1.00 34.47 O HETATM 1561 O HOH 45 -20.841 -16.963 0.972 1.00 13.33 O HETATM 1562 O HOH 46 -16.496 -13.561 17.452 1.00 27.52 O HETATM 1563 O HOH 47 -3.221 1.164 10.266 1.00 27.95 O HETATM 1564 O HOH 48 -16.147 -13.457 15.140 1.00 27.62 O HETATM 1565 O HOH 49 4.096 -23.996 -0.115 1.00 33.05 O HETATM 1566 O HOH 50 0.016 -26.868 17.613 1.00 31.15 O HETATM 1567 O HOH 51 4.203 -23.161 6.860 1.00 22.72 O HETATM 1568 O HOH 52 -16.890 -24.473 17.808 1.00 28.43 O HETATM 1569 O HOH 53 -2.432 -14.038 31.373 1.00 30.14 O HETATM 1570 O HOH 54 -13.460 -11.314 18.536 1.00 32.38 O HETATM 1571 O HOH 55 -20.484 -6.197 13.725 1.00 41.65 O HETATM 1572 O HOH 56 -19.568 -21.414 19.534 1.00 35.33 O HETATM 1573 O HOH 57 -18.129 -6.375 26.235 1.00 27.49 O HETATM 1574 O HOH 58 -2.171 -12.930 5.828 1.00 24.21 O HETATM 1575 O HOH 59 -19.012 -10.702 27.263 1.00 29.77 O HETATM 1576 O HOH 60 -13.306 -25.734 24.409 1.00 28.67 O HETATM 1577 O HOH 61 -7.099 -11.871 30.657 1.00 19.17 O HETATM 1578 O HOH 62 -14.132 2.137 2.862 1.00 26.03 O HETATM 1579 O HOH 63 -1.002 -5.293 3.011 1.00 21.40 O HETATM 1580 O HOH 64 -13.518 -9.780 16.085 1.00 38.39 O HETATM 1581 O HOH 65 -7.066 -30.447 8.250 1.00 28.87 O HETATM 1582 O HOH 66 -19.428 -28.728 11.813 1.00 26.20 O HETATM 1583 O HOH 67 -0.662 -29.332 4.417 1.00 26.08 O HETATM 1584 O HOH 68 -23.692 -12.411 0.796 1.00 19.18 O HETATM 1585 O HOH 69 -21.647 -1.325 29.054 1.00 36.00 O HETATM 1586 O HOH 70 -20.489 -12.605 3.312 1.00 36.59 O HETATM 1587 O HOH 71 -26.803 -20.564 12.377 1.00 38.95 O HETATM 1588 O HOH 72 -15.747 -4.447 10.037 1.00 28.84 O HETATM 1589 O HOH 73 -18.559 -8.440 24.909 1.00 27.68 O HETATM 1590 O HOH 74 -25.701 -20.626 5.176 1.00 21.47 O HETATM 1591 O HOH 75 -18.294 -0.192 22.705 1.00 24.10 O HETATM 1592 O HOH 76 2.844 -8.738 6.942 1.00 37.69 O HETATM 1593 O HOH 77 4.163 -15.165 3.595 1.00 24.47 O HETATM 1594 O HOH 78 -7.495 -19.707 0.487 1.00 31.96 O HETATM 1595 O HOH 79 -5.464 2.716 14.225 1.00 39.31 O HETATM 1596 O HOH 80 -23.910 -21.223 -2.389 1.00 43.74 O HETATM 1597 O HOH 81 -10.217 -2.453 30.290 1.00 30.91 O HETATM 1598 O HOH 82 5.220 -7.258 23.197 1.00 39.63 O HETATM 1599 O HOH 83 -13.532 -11.056 -5.817 1.00 54.29 O HETATM 1600 O HOH 84 -10.734 -0.741 22.409 1.00 37.01 O HETATM 1601 O HOH 85 3.311 -2.315 27.177 1.00 33.63 O HETATM 1602 O HOH 86 1.790 -7.838 26.848 1.00 37.85 O HETATM 1603 O HOH 87 0.005 -23.866 28.094 1.00 40.11 O HETATM 1604 O HOH 88 7.935 -22.837 11.867 1.00 47.61 O HETATM 1605 O HOH 89 -13.148 -10.150 13.706 1.00 46.79 O HETATM 1606 O HOH 90 -7.880 -28.330 18.283 1.00 38.71 O HETATM 1607 O HOH 91 -26.747 -29.149 10.310 1.00 34.92 O HETATM 1608 O HOH 92 -11.669 -15.278 -2.739 1.00 46.02 O HETATM 1609 O HOH 93 5.482 -11.616 7.201 1.00 33.43 O HETATM 1610 O HOH 94 -20.450 -1.749 4.220 1.00 47.48 O HETATM 1611 O HOH 95 -11.492 -24.509 27.325 1.00 42.49 O HETATM 1612 O HOH 96 4.535 -17.604 10.685 1.00 42.21 O HETATM 1613 O HOH 97 -10.451 -30.469 14.090 1.00 38.68 O HETATM 1614 O HOH 98 6.658 -21.185 -2.112 1.00 32.69 O HETATM 1615 O HOH 99 6.418 -22.252 7.458 1.00 44.11 O HETATM 1616 O HOH 100 -17.258 -6.812 9.665 1.00 46.48 O HETATM 1617 O HOH 101 -13.903 -19.856 28.906 1.00 39.48 O HETATM 1618 C10 UNN A 102 -14.136 -16.066 11.097 1.00 0.14 C HETATM 1619 C15 UNN A 102 -14.552 -17.386 11.064 1.00 0.02 C HETATM 1620 N14 UNN A 102 -13.770 -18.073 11.927 1.00 -0.30 N HETATM 1621 C12 UNN A 102 -12.917 -17.220 12.478 1.00 0.27 C HETATM 1622 O11 UNN A 102 -13.100 -15.943 11.992 1.00 -0.20 O HETATM 1623 N13 UNN A 102 -11.941 -17.491 13.473 1.00 -0.28 N HETATM 1624 H8 UNN A 102 -11.817 -18.451 13.825 1.00 0.19 H HETATM 1625 H9 UNN A 102 -11.357 -16.728 13.843 1.00 0.19 H HETATM 1626 C16 UNN A 102 -15.600 -17.802 10.230 1.00 -0.07 C HETATM 1627 C02 UNN A 102 -16.222 -16.848 9.447 1.00 -0.07 C HETATM 1628 C01 UNN A 102 -17.383 -17.263 8.561 1.00 -0.04 C HETATM 1629 H1 UNN A 102 -17.756 -16.386 8.011 1.00 0.04 H HETATM 1630 H2 UNN A 102 -18.190 -17.676 9.184 1.00 0.04 H HETATM 1631 H3 UNN A 102 -17.044 -18.027 7.846 1.00 0.04 H HETATM 1632 C03 UNN A 102 -15.748 -15.509 9.436 1.00 -0.07 C HETATM 1633 C04 UNN A 102 -14.720 -15.077 10.279 1.00 0.03 C HETATM 1634 C05 UNN A 102 -14.196 -13.753 10.261 1.00 0.12 C HETATM 1635 C06 UNN A 102 -14.793 -12.632 9.701 1.00 -0.06 C HETATM 1636 C07 UNN A 102 -13.927 -11.539 9.825 1.00 -0.06 C HETATM 1637 C08 UNN A 102 -12.780 -11.999 10.401 1.00 0.08 C HETATM 1638 O09 UNN A 102 -12.949 -13.346 10.653 1.00 -0.26 O HETATM 1639 H7 UNN A 102 -11.891 -11.410 10.622 1.00 0.10 H HETATM 1640 H6 UNN A 102 -14.131 -10.514 9.519 1.00 0.04 H HETATM 1641 H5 UNN A 102 -15.779 -12.607 9.239 1.00 0.04 H HETATM 1642 H4 UNN A 102 -16.198 -14.799 8.752 1.00 0.04 H HETATM 1643 H10 UNN A 102 -15.912 -18.840 10.200 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1618 1619 1622 1633 CONECT 1619 1618 1620 1626 CONECT 1620 1619 1621 CONECT 1621 1620 1622 1623 CONECT 1622 1618 1621 CONECT 1623 1621 1624 1625 CONECT 1624 1623 CONECT 1625 1623 CONECT 1626 1619 1627 1643 CONECT 1627 1626 1628 1632 CONECT 1628 1627 1629 1630 1631 CONECT 1629 1628 CONECT 1630 1628 CONECT 1631 1628 CONECT 1632 1627 1633 1642 CONECT 1633 1618 1632 1634 CONECT 1634 1633 1635 1638 CONECT 1635 1634 1636 1641 CONECT 1636 1635 1637 1640 CONECT 1637 1636 1638 1639 CONECT 1638 1634 1637 CONECT 1639 1637 CONECT 1640 1636 CONECT 1641 1635 CONECT 1642 1632 CONECT 1643 1626 MASTER 0 0 0 0 0 0 0 0 1642 1 30 12 END
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Protein Sequence Similarity
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158aa, >5ANW_1|Chain... at 100%
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156aa, >5FSL_1|Chain... at 100%
5fsm
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156aa, >5FSM_1|Chain... at 100%
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PDBbind
156aa, >5FSN_1|Chain... at 100%
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PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
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RCSB PDB
PDBbind
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PDBbind
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6f22
RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
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RCSB PDB
PDBbind
159aa, >6F23_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
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182aa, >6EQ3_1|Chain... at 100%
6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
6aa5
RCSB PDB
PDBbind
163aa, >6AA5_1|Chain... at 94%
6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
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
5ngt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
7,8-dihydro-8-oxoguanine triphosphatase
Ligand Name
8WZ
EC.Number
E.C.3.6.1.55
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
IC50=1.3uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 8160-8169
Ligand Properties
Formula
C
1
2
H
1
0
N
2
O
2
Molecular Weight
214.220
Exact Mass
214.074
No. of atoms
26
No. of bonds
28
Polar Surface Area
65.19
LOGP Value
2.51 (
Computed with XLOGP3
)
3.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
Cc1cc2nc(oc2c(c1)c1ccco1)N
InChI String
InChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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