Browse entries in the PDBbind-CN Database
HEADER 5WA9_COMPLEX COMPND 5WA9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 ARG PRO GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG SEQRES 2 A 115 LYS GLU ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG SEQRES 3 A 115 CYS LEU ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR SEQRES 4 A 115 HIS PHE LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SEQRES 5 A 115 SER VAL ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS SEQRES 6 A 115 LEU MET ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY SEQRES 7 A 115 LEU ASN LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER SEQRES 8 A 115 ASP GLY GLY GLN SER VAL TYR HIS VAL ASN LEU HIS VAL SEQRES 9 A 115 LEU GLY GLY ARG GLN MET HIS TRP PRO PRO GLY SEQRES 1 B 112 GLY ASP THR ILE PHE GLY LYS ILE ILE ARG LYS GLU ILE SEQRES 2 B 112 PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU ALA SEQRES 3 B 112 PHE HIS ASP ILE SER PRO GLN ALA PRO THR HIS PHE LEU SEQRES 4 B 112 VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SER VAL ALA SEQRES 5 B 112 GLU ASP ASP ASP GLU SER LEU LEU GLY HIS LEU MET ILE SEQRES 6 B 112 VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN LYS SEQRES 7 B 112 GLY TYR ARG MET VAL VAL ASN GLU GLY SER ASP GLY GLY SEQRES 8 B 112 GLN SER VAL TYR HIS VAL ASN LEU HIS VAL LEU GLY GLY SEQRES 9 B 112 ARG GLN MET HIS TRP PRO PRO GLY HET UNN A 504 49 ATOM 1 N ARG A 12 -32.972 -13.667 -36.004 1.00 30.71 N ATOM 2 CA ARG A 12 -31.683 -13.239 -36.533 1.00 29.93 C ATOM 3 C ARG A 12 -30.700 -12.996 -35.395 1.00 27.98 C ATOM 4 O ARG A 12 -31.091 -12.519 -34.328 1.00 28.25 O ATOM 5 CB ARG A 12 -31.845 -11.972 -37.374 1.00 30.81 C ATOM 6 HN3 ARG A 12 -33.351 -12.928 -35.378 1.00 0.00 H ATOM 7 HN2 ARG A 12 -32.849 -14.549 -35.466 1.00 0.00 H ATOM 8 HN1 ARG A 12 -33.632 -13.829 -36.791 1.00 0.00 H ATOM 9 N PRO A 13 -29.426 -13.326 -35.615 1.00 25.56 N ATOM 10 CA PRO A 13 -28.420 -13.109 -34.565 1.00 23.83 C ATOM 11 C PRO A 13 -28.329 -11.632 -34.216 1.00 22.08 C ATOM 12 O PRO A 13 -27.997 -10.793 -35.057 1.00 21.33 O ATOM 13 CB PRO A 13 -27.126 -13.626 -35.202 1.00 24.25 C ATOM 14 CG PRO A 13 -27.370 -13.549 -36.672 1.00 24.77 C ATOM 15 CD PRO A 13 -28.828 -13.832 -36.862 1.00 25.36 C ATOM 16 N GLY A 14 -28.653 -11.316 -32.964 1.00 21.39 N ATOM 17 CA GLY A 14 -28.663 -9.952 -32.488 1.00 20.57 C ATOM 18 C GLY A 14 -30.038 -9.328 -32.364 1.00 18.60 C ATOM 19 O GLY A 14 -30.159 -8.271 -31.730 1.00 19.48 O ATOM 20 H GLY A 14 -28.908 -12.079 -32.305 1.00 0.00 H ATOM 21 N GLY A 15 -31.073 -9.941 -32.949 1.00 17.95 N ATOM 22 CA GLY A 15 -32.416 -9.384 -32.920 1.00 16.23 C ATOM 23 C GLY A 15 -32.644 -8.333 -33.997 1.00 14.14 C ATOM 24 O GLY A 15 -31.766 -8.017 -34.792 1.00 13.21 O ATOM 25 H GLY A 15 -30.912 -10.844 -33.440 1.00 0.00 H ATOM 26 N ASP A 16 -33.859 -7.771 -34.021 1.00 14.15 N ATOM 27 CA ASP A 16 -34.196 -6.748 -35.002 1.00 13.50 C ATOM 28 C ASP A 16 -34.396 -5.365 -34.400 1.00 11.27 C ATOM 29 O ASP A 16 -34.903 -4.481 -35.102 1.00 12.16 O ATOM 30 CB ASP A 16 -35.406 -7.138 -35.853 1.00 14.65 C ATOM 31 CG ASP A 16 -35.070 -8.186 -36.907 1.00 15.68 C ATOM 32 OD1 ASP A 16 -33.940 -8.173 -37.441 1.00 16.66 O ATOM 33 OD2 ASP A 16 -35.943 -9.026 -37.203 1.00 14.81 O ATOM 34 H ASP A 16 -34.574 -8.070 -33.328 1.00 0.00 H ATOM 35 N THR A 17 -34.005 -5.137 -33.138 1.00 9.33 N ATOM 36 CA THR A 17 -33.839 -3.749 -32.736 1.00 8.11 C ATOM 37 C THR A 17 -32.778 -3.116 -33.622 1.00 8.36 C ATOM 38 O THR A 17 -32.027 -3.794 -34.330 1.00 8.53 O ATOM 39 CB THR A 17 -33.374 -3.596 -31.279 1.00 9.51 C ATOM 40 OG1 THR A 17 -32.007 -4.014 -31.149 1.00 11.31 O ATOM 41 CG2 THR A 17 -34.263 -4.358 -30.303 1.00 10.38 C ATOM 42 HG1 THR A 17 -31.926 -4.963 -31.418 1.00 0.00 H ATOM 43 H THR A 17 -33.828 -5.919 -32.475 1.00 0.00 H ATOM 44 N ILE A 18 -32.714 -1.790 -33.573 1.00 8.11 N ATOM 45 CA ILE A 18 -31.709 -1.112 -34.377 1.00 9.35 C ATOM 46 C ILE A 18 -30.304 -1.574 -34.014 1.00 8.39 C ATOM 47 O ILE A 18 -29.406 -1.560 -34.860 1.00 8.94 O ATOM 48 CB ILE A 18 -31.893 0.410 -34.291 1.00 12.56 C ATOM 49 CG1 ILE A 18 -31.810 0.864 -32.842 1.00 13.59 C ATOM 50 CG2 ILE A 18 -33.198 0.835 -34.926 1.00 15.58 C ATOM 51 CD1 ILE A 18 -31.576 2.291 -32.733 1.00 16.04 C ATOM 52 H ILE A 18 -33.368 -1.248 -32.973 1.00 0.00 H ATOM 53 N PHE A 19 -30.091 -2.011 -32.769 1.00 8.18 N ATOM 54 CA PHE A 19 -28.766 -2.498 -32.393 1.00 8.01 C ATOM 55 C PHE A 19 -28.467 -3.853 -33.024 1.00 8.54 C ATOM 56 O PHE A 19 -27.317 -4.125 -33.387 1.00 8.02 O ATOM 57 CB PHE A 19 -28.608 -2.542 -30.875 1.00 7.88 C ATOM 58 CG PHE A 19 -28.635 -1.190 -30.222 1.00 8.03 C ATOM 59 CD1 PHE A 19 -28.553 -0.017 -30.973 1.00 8.82 C ATOM 60 CD2 PHE A 19 -28.732 -1.088 -28.846 1.00 9.16 C ATOM 61 CE1 PHE A 19 -28.585 1.223 -30.350 1.00 9.07 C ATOM 62 CE2 PHE A 19 -28.762 0.152 -28.222 1.00 9.79 C ATOM 63 CZ PHE A 19 -28.689 1.301 -28.975 1.00 9.29 C ATOM 64 H PHE A 19 -30.863 -2.004 -32.073 1.00 0.00 H ATOM 65 N GLY A 20 -29.479 -4.716 -33.161 1.00 9.03 N ATOM 66 CA GLY A 20 -29.289 -5.930 -33.941 1.00 9.90 C ATOM 67 C GLY A 20 -28.944 -5.628 -35.387 1.00 10.00 C ATOM 68 O GLY A 20 -28.082 -6.282 -35.983 1.00 11.30 O ATOM 69 H GLY A 20 -30.397 -4.521 -32.713 1.00 0.00 H ATOM 70 N LYS A 21 -29.616 -4.629 -35.972 1.00 10.27 N ATOM 71 CA LYS A 21 -29.297 -4.212 -37.333 1.00 11.02 C ATOM 72 C LYS A 21 -27.862 -3.708 -37.429 1.00 9.67 C ATOM 73 O LYS A 21 -27.154 -4.004 -38.402 1.00 10.99 O ATOM 74 CB LYS A 21 -30.271 -3.126 -37.804 1.00 13.03 C ATOM 75 CG LYS A 21 -31.746 -3.467 -37.662 1.00 14.96 C ATOM 76 CD LYS A 21 -32.206 -4.423 -38.737 1.00 15.52 C ATOM 77 CE LYS A 21 -32.072 -3.818 -40.120 1.00 15.03 C ATOM 78 NZ LYS A 21 -32.405 -4.848 -41.130 1.00 14.29 N ATOM 79 HZ1 LYS A 21 -31.752 -5.651 -41.033 1.00 0.00 H ATOM 80 HZ2 LYS A 21 -33.381 -5.174 -40.982 1.00 0.00 H ATOM 81 HZ3 LYS A 21 -32.315 -4.440 -42.082 1.00 0.00 H ATOM 82 H LYS A 21 -30.374 -4.145 -35.450 1.00 0.00 H ATOM 83 N ILE A 22 -27.419 -2.939 -36.431 1.00 8.75 N ATOM 84 CA ILE A 22 -26.046 -2.435 -36.419 1.00 8.68 C ATOM 85 C ILE A 22 -25.048 -3.584 -36.318 1.00 8.61 C ATOM 86 O ILE A 22 -24.041 -3.615 -37.037 1.00 8.51 O ATOM 87 CB ILE A 22 -25.872 -1.400 -35.290 1.00 8.43 C ATOM 88 CG1 ILE A 22 -26.561 -0.086 -35.673 1.00 8.57 C ATOM 89 CG2 ILE A 22 -24.398 -1.194 -34.957 1.00 8.85 C ATOM 90 CD1 ILE A 22 -26.592 0.953 -34.570 1.00 8.78 C ATOM 91 H ILE A 22 -28.061 -2.695 -35.650 1.00 0.00 H ATOM 92 N ILE A 23 -25.317 -4.547 -35.430 1.00 8.53 N ATOM 93 CA ILE A 23 -24.442 -5.710 -35.273 1.00 8.76 C ATOM 94 C ILE A 23 -24.231 -6.424 -36.600 1.00 9.04 C ATOM 95 O ILE A 23 -23.115 -6.846 -36.926 1.00 9.77 O ATOM 96 CB ILE A 23 -25.007 -6.661 -34.202 1.00 9.18 C ATOM 97 CG1 ILE A 23 -24.836 -6.058 -32.811 1.00 9.63 C ATOM 98 CG2 ILE A 23 -24.354 -8.039 -34.285 1.00 9.66 C ATOM 99 CD1 ILE A 23 -25.741 -6.669 -31.774 1.00 9.87 C ATOM 100 H ILE A 23 -26.168 -4.468 -34.837 1.00 0.00 H ATOM 101 N ARG A 24 -25.292 -6.566 -37.388 1.00 8.68 N ATOM 102 CA ARG A 24 -25.211 -7.277 -38.656 1.00 9.56 C ATOM 103 C ARG A 24 -24.820 -6.385 -39.832 1.00 9.94 C ATOM 104 O ARG A 24 -24.903 -6.832 -40.981 1.00 10.87 O ATOM 105 CB ARG A 24 -26.519 -8.021 -38.931 1.00 10.56 C ATOM 106 CG ARG A 24 -26.768 -9.158 -37.942 1.00 10.79 C ATOM 107 CD ARG A 24 -27.942 -10.026 -38.358 1.00 11.07 C ATOM 108 NE ARG A 24 -29.119 -9.211 -38.619 1.00 11.32 N ATOM 109 CZ ARG A 24 -30.006 -8.855 -37.694 1.00 12.22 C ATOM 110 NH1 ARG A 24 -29.872 -9.263 -36.436 1.00 12.62 N ATOM 111 NH2 ARG A 24 -31.035 -8.093 -38.027 1.00 13.56 N ATOM 112 HE ARG A 24 -29.277 -8.885 -39.594 1.00 0.00 H ATOM 113 HH12 ARG A 24 -30.571 -8.979 -35.720 1.00 0.00 H ATOM 114 HH11 ARG A 24 -29.068 -9.866 -36.168 1.00 0.00 H ATOM 115 HH22 ARG A 24 -31.730 -7.813 -37.306 1.00 0.00 H ATOM 116 HH21 ARG A 24 -31.149 -7.774 -39.010 1.00 0.00 H ATOM 117 H ARG A 24 -26.202 -6.159 -37.092 1.00 0.00 H ATOM 118 N LYS A 25 -24.377 -5.152 -39.574 1.00 10.00 N ATOM 119 CA LYS A 25 -23.916 -4.229 -40.610 1.00 11.10 C ATOM 120 C LYS A 25 -25.026 -3.837 -41.577 1.00 10.70 C ATOM 121 O LYS A 25 -24.749 -3.481 -42.724 1.00 11.63 O ATOM 122 CB LYS A 25 -22.707 -4.766 -41.398 1.00 12.06 C ATOM 123 CG LYS A 25 -21.631 -5.455 -40.569 1.00 11.99 C ATOM 124 CD LYS A 25 -20.968 -4.488 -39.608 1.00 11.39 C ATOM 125 CE LYS A 25 -19.825 -5.147 -38.853 1.00 11.07 C ATOM 126 NZ LYS A 25 -19.228 -4.179 -37.901 1.00 10.24 N ATOM 127 HZ1 LYS A 25 -18.866 -3.357 -38.425 1.00 0.00 H ATOM 128 HZ2 LYS A 25 -19.954 -3.868 -37.224 1.00 0.00 H ATOM 129 HZ3 LYS A 25 -18.447 -4.636 -37.388 1.00 0.00 H ATOM 130 H LYS A 25 -24.359 -4.832 -38.585 1.00 0.00 H ATOM 131 N GLU A 26 -26.282 -3.903 -41.139 1.00 10.52 N ATOM 132 CA GLU A 26 -27.414 -3.571 -41.996 1.00 11.32 C ATOM 133 C GLU A 26 -27.808 -2.104 -41.916 1.00 12.41 C ATOM 134 O GLU A 26 -28.477 -1.604 -42.828 1.00 13.53 O ATOM 135 CB GLU A 26 -28.605 -4.465 -41.646 1.00 11.96 C ATOM 136 CG GLU A 26 -28.317 -5.931 -41.937 1.00 12.34 C ATOM 137 CD GLU A 26 -29.253 -6.890 -41.219 1.00 12.66 C ATOM 138 OE1 GLU A 26 -30.141 -6.432 -40.476 1.00 13.45 O ATOM 139 OE2 GLU A 26 -29.091 -8.120 -41.384 1.00 14.11 O ATOM 140 H GLU A 26 -26.460 -4.200 -40.158 1.00 0.00 H ATOM 141 N ILE A 27 -27.431 -1.415 -40.845 1.00 12.68 N ATOM 142 CA ILE A 27 -27.519 0.043 -40.794 1.00 13.93 C ATOM 143 C ILE A 27 -26.181 0.554 -40.275 1.00 13.52 C ATOM 144 O ILE A 27 -25.484 -0.166 -39.543 1.00 13.39 O ATOM 145 CB ILE A 27 -28.712 0.543 -39.960 1.00 16.42 C ATOM 146 CG1 ILE A 27 -28.548 0.165 -38.498 1.00 16.91 C ATOM 147 CG2 ILE A 27 -30.037 0.025 -40.508 1.00 17.30 C ATOM 148 CD1 ILE A 27 -29.669 0.685 -37.625 1.00 17.24 C ATOM 149 H ILE A 27 -27.062 -1.928 -40.019 1.00 0.00 H ATOM 150 N PRO A 28 -25.771 1.762 -40.639 1.00 13.98 N ATOM 151 CA PRO A 28 -24.396 2.182 -40.365 1.00 13.66 C ATOM 152 C PRO A 28 -24.179 2.587 -38.917 1.00 11.71 C ATOM 153 O PRO A 28 -25.091 2.993 -38.189 1.00 12.16 O ATOM 154 CB PRO A 28 -24.200 3.384 -41.293 1.00 15.83 C ATOM 155 CG PRO A 28 -25.565 3.935 -41.467 1.00 16.48 C ATOM 156 CD PRO A 28 -26.499 2.756 -41.447 1.00 15.51 C ATOM 157 N ALA A 29 -22.920 2.471 -38.516 1.00 10.88 N ATOM 158 CA ALA A 29 -22.496 2.902 -37.200 1.00 9.82 C ATOM 159 C ALA A 29 -21.029 3.285 -37.269 1.00 8.96 C ATOM 160 O ALA A 29 -20.293 2.840 -38.152 1.00 10.89 O ATOM 161 CB ALA A 29 -22.731 1.813 -36.145 1.00 11.06 C ATOM 162 H ALA A 29 -22.218 2.059 -39.164 1.00 0.00 H ATOM 163 N LYS A 30 -20.622 4.140 -36.339 1.00 8.61 N ATOM 164 CA LYS A 30 -19.227 4.543 -36.204 1.00 8.95 C ATOM 165 C LYS A 30 -18.639 3.677 -35.103 1.00 8.01 C ATOM 166 O LYS A 30 -18.797 3.961 -33.911 1.00 8.12 O ATOM 167 CB LYS A 30 -19.103 6.033 -35.907 1.00 10.49 C ATOM 168 CG LYS A 30 -19.745 6.940 -36.964 1.00 13.50 C ATOM 169 CD LYS A 30 -19.431 6.551 -38.412 1.00 18.15 C ATOM 170 CE LYS A 30 -17.943 6.465 -38.717 1.00 21.15 C ATOM 171 NZ LYS A 30 -17.157 7.575 -38.147 1.00 22.82 N ATOM 172 HZ1 LYS A 30 -17.502 8.477 -38.534 1.00 0.00 H ATOM 173 HZ2 LYS A 30 -17.262 7.577 -37.112 1.00 0.00 H ATOM 174 HZ3 LYS A 30 -16.154 7.451 -38.394 1.00 0.00 H ATOM 175 H LYS A 30 -21.324 4.537 -35.682 1.00 0.00 H ATOM 176 N ILE A 31 -17.979 2.608 -35.518 1.00 8.26 N ATOM 177 CA ILE A 31 -17.558 1.566 -34.597 1.00 8.92 C ATOM 178 C ILE A 31 -16.190 1.897 -34.029 1.00 8.99 C ATOM 179 O ILE A 31 -15.276 2.316 -34.751 1.00 10.37 O ATOM 180 CB ILE A 31 -17.594 0.193 -35.287 1.00 9.43 C ATOM 181 CG1 ILE A 31 -19.047 -0.163 -35.599 1.00 9.68 C ATOM 182 CG2 ILE A 31 -16.928 -0.877 -34.421 1.00 9.71 C ATOM 183 CD1 ILE A 31 -19.200 -1.241 -36.624 1.00 10.45 C ATOM 184 H ILE A 31 -17.756 2.511 -36.529 1.00 0.00 H ATOM 185 N ILE A 32 -16.067 1.713 -32.718 1.00 8.61 N ATOM 186 CA ILE A 32 -14.825 1.913 -31.989 1.00 9.05 C ATOM 187 C ILE A 32 -14.077 0.603 -31.797 1.00 9.04 C ATOM 188 O ILE A 32 -12.854 0.554 -31.927 1.00 10.97 O ATOM 189 CB ILE A 32 -15.149 2.546 -30.619 1.00 9.10 C ATOM 190 CG1 ILE A 32 -15.865 3.888 -30.793 1.00 8.93 C ATOM 191 CG2 ILE A 32 -13.887 2.683 -29.783 1.00 9.91 C ATOM 192 CD1 ILE A 32 -16.699 4.268 -29.608 1.00 9.58 C ATOM 193 H ILE A 32 -16.906 1.409 -32.184 1.00 0.00 H ATOM 194 N PHE A 33 -14.806 -0.456 -31.458 1.00 8.99 N ATOM 195 CA PHE A 33 -14.215 -1.741 -31.125 1.00 9.22 C ATOM 196 C PHE A 33 -15.254 -2.820 -31.372 1.00 8.25 C ATOM 197 O PHE A 33 -16.449 -2.607 -31.165 1.00 8.45 O ATOM 198 CB PHE A 33 -13.778 -1.785 -29.659 1.00 10.59 C ATOM 199 CG PHE A 33 -13.253 -3.119 -29.239 1.00 11.44 C ATOM 200 CD1 PHE A 33 -14.056 -4.016 -28.549 1.00 11.48 C ATOM 201 CD2 PHE A 33 -11.968 -3.502 -29.585 1.00 13.48 C ATOM 202 CE1 PHE A 33 -13.570 -5.261 -28.181 1.00 12.69 C ATOM 203 CE2 PHE A 33 -11.481 -4.743 -29.230 1.00 14.45 C ATOM 204 CZ PHE A 33 -12.281 -5.622 -28.524 1.00 13.77 C ATOM 205 H PHE A 33 -15.841 -0.361 -31.430 1.00 0.00 H ATOM 206 N GLU A 34 -14.783 -3.983 -31.808 1.00 8.31 N ATOM 207 CA GLU A 34 -15.667 -5.114 -32.039 1.00 8.31 C ATOM 208 C GLU A 34 -14.943 -6.401 -31.679 1.00 8.67 C ATOM 209 O GLU A 34 -13.792 -6.594 -32.081 1.00 10.00 O ATOM 210 CB GLU A 34 -16.098 -5.156 -33.510 1.00 8.94 C ATOM 211 CG GLU A 34 -17.028 -6.306 -33.834 1.00 8.79 C ATOM 212 CD GLU A 34 -17.731 -6.152 -35.168 1.00 8.93 C ATOM 213 OE1 GLU A 34 -17.481 -5.153 -35.891 1.00 9.25 O ATOM 214 OE2 GLU A 34 -18.543 -7.047 -35.489 1.00 9.23 O ATOM 215 H GLU A 34 -13.764 -4.086 -31.987 1.00 0.00 H ATOM 216 N ASP A 35 -15.611 -7.281 -30.933 1.00 8.35 N ATOM 217 CA ASP A 35 -15.112 -8.638 -30.745 1.00 9.07 C ATOM 218 C ASP A 35 -16.273 -9.615 -30.900 1.00 9.06 C ATOM 219 O ASP A 35 -17.362 -9.252 -31.346 1.00 9.22 O ATOM 220 CB ASP A 35 -14.252 -8.791 -29.477 1.00 9.15 C ATOM 221 CG ASP A 35 -15.045 -8.684 -28.176 1.00 9.21 C ATOM 222 OD1 ASP A 35 -16.290 -8.797 -28.176 1.00 8.37 O ATOM 223 OD2 ASP A 35 -14.390 -8.513 -27.127 1.00 11.21 O ATOM 224 H ASP A 35 -16.502 -6.995 -30.478 1.00 0.00 H ATOM 225 N ASP A 36 -16.035 -10.873 -30.533 1.00 9.74 N ATOM 226 CA ASP A 36 -17.062 -11.895 -30.697 1.00 10.15 C ATOM 227 C ASP A 36 -18.222 -11.713 -29.730 1.00 9.69 C ATOM 228 O ASP A 36 -19.308 -12.253 -29.973 1.00 10.88 O ATOM 229 CB ASP A 36 -16.447 -13.272 -30.472 1.00 11.79 C ATOM 230 CG ASP A 36 -15.828 -13.400 -29.104 1.00 13.17 C ATOM 231 OD1 ASP A 36 -14.797 -12.735 -28.862 1.00 14.86 O ATOM 232 OD2 ASP A 36 -16.373 -14.148 -28.266 1.00 14.07 O ATOM 233 H ASP A 36 -15.112 -11.128 -30.127 1.00 0.00 H ATOM 234 N ARG A 37 -18.022 -10.966 -28.643 1.00 8.89 N ATOM 235 CA ARG A 37 -19.034 -10.813 -27.608 1.00 8.92 C ATOM 236 C ARG A 37 -19.750 -9.473 -27.623 1.00 7.95 C ATOM 237 O ARG A 37 -20.846 -9.379 -27.063 1.00 7.91 O ATOM 238 CB ARG A 37 -18.409 -10.987 -26.216 1.00 9.71 C ATOM 239 CG ARG A 37 -18.197 -12.427 -25.791 1.00 11.08 C ATOM 240 CD ARG A 37 -16.917 -12.539 -24.988 1.00 12.36 C ATOM 241 NE ARG A 37 -15.751 -12.489 -25.862 1.00 13.47 N ATOM 242 CZ ARG A 37 -14.518 -12.222 -25.450 1.00 14.14 C ATOM 243 NH1 ARG A 37 -14.286 -11.963 -24.169 1.00 14.61 N ATOM 244 NH2 ARG A 37 -13.520 -12.203 -26.322 1.00 14.61 N ATOM 245 HE ARG A 37 -15.895 -12.675 -26.875 1.00 0.00 H ATOM 246 HH12 ARG A 37 -13.319 -11.754 -23.848 1.00 0.00 H ATOM 247 HH11 ARG A 37 -15.071 -11.969 -23.487 1.00 0.00 H ATOM 248 HH22 ARG A 37 -12.553 -11.994 -26.001 1.00 0.00 H ATOM 249 HH21 ARG A 37 -13.704 -12.397 -27.327 1.00 0.00 H ATOM 250 H ARG A 37 -17.112 -10.476 -28.531 1.00 0.00 H ATOM 251 N CYS A 38 -19.158 -8.435 -28.210 1.00 7.81 N ATOM 252 CA CYS A 38 -19.730 -7.108 -28.025 1.00 7.16 C ATOM 253 C CYS A 38 -19.272 -6.168 -29.128 1.00 7.39 C ATOM 254 O CYS A 38 -18.390 -6.484 -29.930 1.00 7.80 O ATOM 255 CB CYS A 38 -19.375 -6.535 -26.651 1.00 7.99 C ATOM 256 SG CYS A 38 -17.650 -6.031 -26.486 1.00 8.75 S ATOM 257 H CYS A 38 -18.304 -8.569 -28.789 1.00 0.00 H ATOM 258 N LEU A 39 -19.874 -4.984 -29.116 1.00 6.63 N ATOM 259 CA LEU A 39 -19.627 -3.950 -30.103 1.00 6.81 C ATOM 260 C LEU A 39 -19.686 -2.611 -29.386 1.00 6.39 C ATOM 261 O LEU A 39 -20.616 -2.368 -28.613 1.00 7.16 O ATOM 262 CB LEU A 39 -20.733 -4.000 -31.159 1.00 7.96 C ATOM 263 CG LEU A 39 -20.536 -3.058 -32.338 1.00 9.01 C ATOM 264 CD1 LEU A 39 -19.415 -3.560 -33.226 1.00 9.53 C ATOM 265 CD2 LEU A 39 -21.818 -2.893 -33.121 1.00 9.91 C ATOM 266 H LEU A 39 -20.559 -4.788 -28.358 1.00 0.00 H ATOM 267 N ALA A 40 -18.715 -1.740 -29.650 1.00 6.52 N ATOM 268 CA ALA A 40 -18.711 -0.382 -29.117 1.00 6.48 C ATOM 269 C ALA A 40 -18.808 0.596 -30.276 1.00 6.49 C ATOM 270 O ALA A 40 -18.058 0.478 -31.249 1.00 7.25 O ATOM 271 CB ALA A 40 -17.433 -0.111 -28.330 1.00 7.74 C ATOM 272 H ALA A 40 -17.928 -2.039 -30.260 1.00 0.00 H ATOM 273 N PHE A 41 -19.724 1.559 -30.176 1.00 6.22 N ATOM 274 CA PHE A 41 -19.976 2.472 -31.288 1.00 5.95 C ATOM 275 C PHE A 41 -20.532 3.779 -30.742 1.00 6.12 C ATOM 276 O PHE A 41 -21.120 3.822 -29.659 1.00 6.22 O ATOM 277 CB PHE A 41 -20.929 1.865 -32.331 1.00 6.99 C ATOM 278 CG PHE A 41 -22.275 1.481 -31.781 1.00 6.52 C ATOM 279 CD1 PHE A 41 -23.373 2.314 -31.936 1.00 7.58 C ATOM 280 CD2 PHE A 41 -22.444 0.285 -31.103 1.00 7.99 C ATOM 281 CE1 PHE A 41 -24.612 1.959 -31.422 1.00 7.96 C ATOM 282 CE2 PHE A 41 -23.673 -0.069 -30.585 1.00 8.32 C ATOM 283 CZ PHE A 41 -24.757 0.759 -30.743 1.00 8.29 C ATOM 284 H PHE A 41 -20.266 1.662 -29.295 1.00 0.00 H ATOM 285 N HIS A 42 -20.349 4.854 -31.505 1.00 6.15 N ATOM 286 CA HIS A 42 -20.732 6.173 -31.017 1.00 6.08 C ATOM 287 C HIS A 42 -22.241 6.374 -31.031 1.00 6.25 C ATOM 288 O HIS A 42 -22.937 5.928 -31.949 1.00 7.15 O ATOM 289 CB HIS A 42 -20.047 7.250 -31.844 1.00 7.01 C ATOM 290 CG HIS A 42 -18.570 7.281 -31.648 1.00 7.24 C ATOM 291 ND1 HIS A 42 -17.972 7.973 -30.615 1.00 7.80 N ATOM 292 CD2 HIS A 42 -17.569 6.674 -32.329 1.00 7.88 C ATOM 293 CE1 HIS A 42 -16.663 7.807 -30.680 1.00 8.69 C ATOM 294 NE2 HIS A 42 -16.392 7.021 -31.708 1.00 8.43 N ATOM 295 H HIS A 42 -19.932 4.753 -32.452 1.00 0.00 H ATOM 296 N ASP A 43 -22.742 7.068 -30.005 1.00 6.62 N ATOM 297 CA ASP A 43 -24.162 7.379 -29.925 1.00 7.28 C ATOM 298 C ASP A 43 -24.521 8.471 -30.932 1.00 7.75 C ATOM 299 O ASP A 43 -23.802 9.463 -31.073 1.00 9.03 O ATOM 300 CB ASP A 43 -24.492 7.845 -28.504 1.00 7.61 C ATOM 301 CG ASP A 43 -25.970 7.774 -28.186 1.00 7.10 C ATOM 302 OD1 ASP A 43 -26.746 8.536 -28.807 1.00 8.09 O ATOM 303 OD2 ASP A 43 -26.354 6.972 -27.309 1.00 8.20 O ATOM 304 H ASP A 43 -22.105 7.392 -29.249 1.00 0.00 H ATOM 305 N ILE A 44 -25.656 8.302 -31.619 1.00 8.94 N ATOM 306 CA ILE A 44 -26.119 9.253 -32.627 1.00 10.06 C ATOM 307 C ILE A 44 -26.598 10.571 -32.018 1.00 9.45 C ATOM 308 O ILE A 44 -26.709 11.577 -32.731 1.00 10.44 O ATOM 309 CB ILE A 44 -27.221 8.561 -33.457 1.00 11.39 C ATOM 310 CG1 ILE A 44 -27.412 9.250 -34.808 1.00 12.46 C ATOM 311 CG2 ILE A 44 -28.532 8.510 -32.676 1.00 11.13 C ATOM 312 CD1 ILE A 44 -28.361 8.517 -35.731 1.00 13.74 C ATOM 313 H ILE A 44 -26.233 7.458 -31.428 1.00 0.00 H ATOM 314 N SER A 45 -26.922 10.573 -30.726 1.00 9.10 N ATOM 315 CA SER A 45 -27.403 11.761 -30.021 1.00 8.81 C ATOM 316 C SER A 45 -26.528 11.964 -28.793 1.00 8.40 C ATOM 317 O SER A 45 -26.955 11.722 -27.657 1.00 8.74 O ATOM 318 CB SER A 45 -28.875 11.607 -29.640 1.00 9.30 C ATOM 319 OG SER A 45 -29.692 11.542 -30.794 1.00 9.40 O ATOM 320 HG SER A 45 -29.584 12.374 -31.320 1.00 0.00 H ATOM 321 H SER A 45 -26.828 9.686 -30.192 1.00 0.00 H ATOM 322 N PRO A 46 -25.287 12.395 -28.990 1.00 8.59 N ATOM 323 CA PRO A 46 -24.344 12.458 -27.868 1.00 8.96 C ATOM 324 C PRO A 46 -24.754 13.483 -26.824 1.00 9.16 C ATOM 325 O PRO A 46 -25.168 14.601 -27.142 1.00 10.47 O ATOM 326 CB PRO A 46 -23.023 12.844 -28.540 1.00 9.89 C ATOM 327 CG PRO A 46 -23.439 13.541 -29.806 1.00 10.42 C ATOM 328 CD PRO A 46 -24.663 12.804 -30.259 1.00 9.74 C ATOM 329 N GLN A 47 -24.617 13.085 -25.560 1.00 8.34 N ATOM 330 CA GLN A 47 -24.912 13.932 -24.412 1.00 8.61 C ATOM 331 C GLN A 47 -23.654 14.457 -23.742 1.00 8.33 C ATOM 332 O GLN A 47 -23.740 15.123 -22.702 1.00 9.05 O ATOM 333 CB GLN A 47 -25.742 13.157 -23.391 1.00 10.10 C ATOM 334 CG GLN A 47 -27.014 12.590 -23.968 1.00 10.91 C ATOM 335 CD GLN A 47 -27.954 13.669 -24.443 1.00 11.62 C ATOM 336 OE1 GLN A 47 -28.324 14.557 -23.680 1.00 12.97 O ATOM 337 NE2 GLN A 47 -28.345 13.606 -25.712 1.00 12.40 N ATOM 338 HE22 GLN A 47 -28.006 12.835 -26.323 1.00 0.00 H ATOM 339 HE21 GLN A 47 -28.990 14.327 -26.094 1.00 0.00 H ATOM 340 H GLN A 47 -24.281 12.117 -25.383 1.00 0.00 H ATOM 341 N ALA A 48 -22.497 14.165 -24.315 1.00 8.50 N ATOM 342 CA ALA A 48 -21.216 14.633 -23.821 1.00 7.94 C ATOM 343 C ALA A 48 -20.277 14.670 -25.009 1.00 8.11 C ATOM 344 O ALA A 48 -20.577 14.077 -26.054 1.00 8.79 O ATOM 345 CB ALA A 48 -20.670 13.704 -22.726 1.00 8.23 C ATOM 346 H ALA A 48 -22.507 13.567 -25.166 1.00 0.00 H ATOM 347 N PRO A 49 -19.141 15.364 -24.893 1.00 7.89 N ATOM 348 CA PRO A 49 -18.227 15.454 -26.044 1.00 7.97 C ATOM 349 C PRO A 49 -17.839 14.099 -26.610 1.00 7.81 C ATOM 350 O PRO A 49 -17.716 13.957 -27.834 1.00 8.80 O ATOM 351 CB PRO A 49 -17.054 16.258 -25.476 1.00 8.81 C ATOM 352 CG PRO A 49 -17.719 17.176 -24.477 1.00 8.60 C ATOM 353 CD PRO A 49 -18.749 16.292 -23.814 1.00 8.36 C ATOM 354 N THR A 50 -17.672 13.095 -25.754 1.00 7.20 N ATOM 355 CA THR A 50 -17.575 11.707 -26.172 1.00 7.16 C ATOM 356 C THR A 50 -18.715 10.941 -25.518 1.00 6.62 C ATOM 357 O THR A 50 -18.926 11.044 -24.301 1.00 6.92 O ATOM 358 CB THR A 50 -16.223 11.113 -25.776 1.00 8.83 C ATOM 359 OG1 THR A 50 -15.177 11.795 -26.483 1.00 10.48 O ATOM 360 CG2 THR A 50 -16.170 9.639 -26.123 1.00 9.29 C ATOM 361 HG1 THR A 50 -14.302 11.410 -26.226 1.00 0.00 H ATOM 362 H THR A 50 -17.608 13.313 -24.739 1.00 0.00 H ATOM 363 N HIS A 51 -19.463 10.202 -26.332 1.00 6.04 N ATOM 364 CA HIS A 51 -20.594 9.430 -25.833 1.00 5.88 C ATOM 365 C HIS A 51 -20.736 8.229 -26.752 1.00 6.27 C ATOM 366 O HIS A 51 -21.128 8.376 -27.916 1.00 6.61 O ATOM 367 CB HIS A 51 -21.853 10.285 -25.835 1.00 6.47 C ATOM 368 CG HIS A 51 -23.070 9.595 -25.311 1.00 5.73 C ATOM 369 ND1 HIS A 51 -24.289 10.230 -25.240 1.00 6.95 N ATOM 370 CD2 HIS A 51 -23.268 8.334 -24.849 1.00 6.05 C ATOM 371 CE1 HIS A 51 -25.187 9.392 -24.754 1.00 6.60 C ATOM 372 NE2 HIS A 51 -24.594 8.235 -24.512 1.00 6.64 N ATOM 373 H HIS A 51 -19.236 10.174 -27.347 1.00 0.00 H ATOM 374 N PHE A 52 -20.406 7.053 -26.231 1.00 5.98 N ATOM 375 CA PHE A 52 -20.517 5.831 -27.000 1.00 6.21 C ATOM 376 C PHE A 52 -21.262 4.773 -26.202 1.00 5.93 C ATOM 377 O PHE A 52 -21.539 4.932 -25.008 1.00 5.74 O ATOM 378 CB PHE A 52 -19.158 5.354 -27.525 1.00 6.57 C ATOM 379 CG PHE A 52 -18.172 4.938 -26.463 1.00 6.48 C ATOM 380 CD1 PHE A 52 -18.092 3.617 -26.045 1.00 6.64 C ATOM 381 CD2 PHE A 52 -17.294 5.860 -25.920 1.00 7.08 C ATOM 382 CE1 PHE A 52 -17.170 3.234 -25.092 1.00 7.26 C ATOM 383 CE2 PHE A 52 -16.367 5.479 -24.962 1.00 7.46 C ATOM 384 CZ PHE A 52 -16.304 4.162 -24.554 1.00 7.62 C ATOM 385 H PHE A 52 -20.061 7.009 -25.251 1.00 0.00 H ATOM 386 N LEU A 53 -21.610 3.700 -26.908 1.00 5.85 N ATOM 387 CA LEU A 53 -22.374 2.587 -26.373 1.00 6.01 C ATOM 388 C LEU A 53 -21.562 1.316 -26.524 1.00 5.92 C ATOM 389 O LEU A 53 -20.846 1.140 -27.519 1.00 6.19 O ATOM 390 CB LEU A 53 -23.687 2.395 -27.145 1.00 6.77 C ATOM 391 CG LEU A 53 -24.579 3.636 -27.205 1.00 7.62 C ATOM 392 CD1 LEU A 53 -25.843 3.367 -28.012 1.00 10.15 C ATOM 393 CD2 LEU A 53 -24.940 4.118 -25.818 1.00 9.13 C ATOM 394 H LEU A 53 -21.317 3.656 -27.905 1.00 0.00 H ATOM 395 N VAL A 54 -21.693 0.424 -25.548 1.00 6.15 N ATOM 396 CA VAL A 54 -21.152 -0.924 -25.637 1.00 5.92 C ATOM 397 C VAL A 54 -22.326 -1.871 -25.474 1.00 6.03 C ATOM 398 O VAL A 54 -23.044 -1.810 -24.468 1.00 6.55 O ATOM 399 CB VAL A 54 -20.065 -1.195 -24.581 1.00 6.50 C ATOM 400 CG1 VAL A 54 -19.368 -2.526 -24.883 1.00 7.81 C ATOM 401 CG2 VAL A 54 -19.056 -0.051 -24.518 1.00 7.69 C ATOM 402 H VAL A 54 -22.203 0.701 -24.685 1.00 0.00 H ATOM 403 N ILE A 55 -22.525 -2.738 -26.462 1.00 5.92 N ATOM 404 CA ILE A 55 -23.660 -3.657 -26.474 1.00 6.54 C ATOM 405 C ILE A 55 -23.173 -5.090 -26.633 1.00 6.30 C ATOM 406 O ILE A 55 -22.169 -5.337 -27.314 1.00 6.86 O ATOM 407 CB ILE A 55 -24.674 -3.318 -27.583 1.00 7.06 C ATOM 408 CG1 ILE A 55 -24.086 -3.544 -28.981 1.00 7.30 C ATOM 409 CG2 ILE A 55 -25.188 -1.898 -27.421 1.00 7.45 C ATOM 410 CD1 ILE A 55 -25.096 -3.363 -30.103 1.00 8.93 C ATOM 411 H ILE A 55 -21.850 -2.763 -27.253 1.00 0.00 H ATOM 412 N PRO A 56 -23.864 -6.065 -26.052 1.00 7.11 N ATOM 413 CA PRO A 56 -23.551 -7.461 -26.358 1.00 6.99 C ATOM 414 C PRO A 56 -24.030 -7.805 -27.755 1.00 6.78 C ATOM 415 O PRO A 56 -25.019 -7.261 -28.250 1.00 7.41 O ATOM 416 CB PRO A 56 -24.365 -8.236 -25.316 1.00 7.71 C ATOM 417 CG PRO A 56 -25.533 -7.335 -25.017 1.00 9.23 C ATOM 418 CD PRO A 56 -24.986 -5.931 -25.106 1.00 7.69 C ATOM 419 N LYS A 57 -23.331 -8.747 -28.387 1.00 7.01 N ATOM 420 CA LYS A 57 -23.840 -9.307 -29.634 1.00 7.71 C ATOM 421 C LYS A 57 -25.000 -10.260 -29.380 1.00 8.36 C ATOM 422 O LYS A 57 -25.917 -10.350 -30.206 1.00 10.09 O ATOM 423 CB LYS A 57 -22.711 -9.958 -30.427 1.00 8.47 C ATOM 424 CG LYS A 57 -21.778 -8.927 -31.049 1.00 8.90 C ATOM 425 CD LYS A 57 -20.764 -9.561 -31.969 1.00 9.73 C ATOM 426 CE LYS A 57 -20.018 -8.497 -32.756 1.00 9.64 C ATOM 427 NZ LYS A 57 -18.986 -9.107 -33.646 1.00 9.94 N ATOM 428 HZ1 LYS A 57 -18.301 -9.635 -33.069 1.00 0.00 H ATOM 429 HZ2 LYS A 57 -19.447 -9.754 -34.317 1.00 0.00 H ATOM 430 HZ3 LYS A 57 -18.494 -8.355 -34.170 1.00 0.00 H ATOM 431 H LYS A 57 -22.428 -9.081 -27.994 1.00 0.00 H ATOM 432 N LYS A 58 -24.973 -10.978 -28.258 1.00 8.85 N ATOM 433 CA LYS A 58 -26.131 -11.745 -27.817 1.00 9.46 C ATOM 434 C LYS A 58 -27.255 -10.789 -27.449 1.00 9.32 C ATOM 435 O LYS A 58 -27.056 -9.850 -26.675 1.00 9.88 O ATOM 436 CB LYS A 58 -25.758 -12.584 -26.590 1.00 10.95 C ATOM 437 CG LYS A 58 -26.926 -13.315 -25.941 1.00 12.66 C ATOM 438 CD LYS A 58 -26.503 -14.015 -24.644 1.00 14.02 C ATOM 439 CE LYS A 58 -27.664 -14.741 -23.991 1.00 15.62 C ATOM 440 NZ LYS A 58 -27.235 -15.448 -22.751 1.00 16.67 N ATOM 441 HZ1 LYS A 58 -26.500 -16.145 -22.987 1.00 0.00 H ATOM 442 HZ2 LYS A 58 -26.854 -14.757 -22.074 1.00 0.00 H ATOM 443 HZ3 LYS A 58 -28.053 -15.934 -22.330 1.00 0.00 H ATOM 444 H LYS A 58 -24.106 -10.991 -27.684 1.00 0.00 H ATOM 445 N HIS A 59 -28.443 -11.023 -27.995 1.00 9.30 N ATOM 446 CA HIS A 59 -29.564 -10.159 -27.667 1.00 9.37 C ATOM 447 C HIS A 59 -30.066 -10.453 -26.260 1.00 8.73 C ATOM 448 O HIS A 59 -30.483 -11.572 -25.961 1.00 10.02 O ATOM 449 CB HIS A 59 -30.704 -10.320 -28.661 1.00 9.79 C ATOM 450 CG HIS A 59 -31.906 -9.523 -28.280 1.00 9.84 C ATOM 451 ND1 HIS A 59 -31.925 -8.147 -28.333 1.00 10.40 N ATOM 452 CD2 HIS A 59 -33.103 -9.899 -27.772 1.00 10.23 C ATOM 453 CE1 HIS A 59 -33.091 -7.707 -27.894 1.00 9.91 C ATOM 454 NE2 HIS A 59 -33.825 -8.751 -27.549 1.00 10.73 N ATOM 455 H HIS A 59 -28.570 -11.819 -28.652 1.00 0.00 H ATOM 456 N ILE A 60 -30.011 -9.442 -25.400 1.00 8.82 N ATOM 457 CA ILE A 60 -30.660 -9.428 -24.095 1.00 8.75 C ATOM 458 C ILE A 60 -31.470 -8.145 -24.076 1.00 8.46 C ATOM 459 O ILE A 60 -30.930 -7.076 -24.369 1.00 8.76 O ATOM 460 CB ILE A 60 -29.625 -9.414 -22.955 1.00 9.49 C ATOM 461 CG1 ILE A 60 -28.677 -10.611 -23.068 1.00 11.00 C ATOM 462 CG2 ILE A 60 -30.322 -9.385 -21.593 1.00 10.23 C ATOM 463 CD1 ILE A 60 -27.460 -10.502 -22.180 1.00 12.16 C ATOM 464 H ILE A 60 -29.466 -8.601 -25.678 1.00 0.00 H ATOM 465 N SER A 61 -32.768 -8.240 -23.785 1.00 8.46 N ATOM 466 CA SER A 61 -33.616 -7.063 -23.993 1.00 9.10 C ATOM 467 C SER A 61 -33.322 -5.940 -23.006 1.00 8.78 C ATOM 468 O SER A 61 -33.435 -4.761 -23.363 1.00 9.27 O ATOM 469 CB SER A 61 -35.095 -7.435 -23.962 1.00 11.17 C ATOM 470 OG SER A 61 -35.478 -7.899 -22.688 1.00 12.92 O ATOM 471 HG SER A 61 -35.317 -7.189 -22.017 1.00 0.00 H ATOM 472 H SER A 61 -33.169 -9.127 -23.419 1.00 0.00 H ATOM 473 N GLN A 62 -32.951 -6.275 -21.776 1.00 8.46 N ATOM 474 CA GLN A 62 -32.799 -5.280 -20.726 1.00 8.48 C ATOM 475 C GLN A 62 -32.146 -5.975 -19.543 1.00 8.06 C ATOM 476 O GLN A 62 -32.241 -7.196 -19.397 1.00 8.57 O ATOM 477 CB GLN A 62 -34.155 -4.699 -20.326 1.00 9.31 C ATOM 478 CG GLN A 62 -35.153 -5.731 -19.884 1.00 10.02 C ATOM 479 CD GLN A 62 -36.557 -5.388 -20.301 1.00 11.71 C ATOM 480 OE1 GLN A 62 -37.029 -5.845 -21.344 1.00 13.95 O ATOM 481 NE2 GLN A 62 -37.237 -4.572 -19.499 1.00 11.85 N ATOM 482 HE22 GLN A 62 -36.796 -4.212 -18.629 1.00 0.00 H ATOM 483 HE21 GLN A 62 -38.209 -4.295 -19.743 1.00 0.00 H ATOM 484 H GLN A 62 -32.764 -7.275 -21.558 1.00 0.00 H ATOM 485 N ILE A 63 -31.489 -5.185 -18.693 1.00 7.96 N ATOM 486 CA ILE A 63 -30.709 -5.770 -17.606 1.00 8.40 C ATOM 487 C ILE A 63 -31.586 -6.584 -16.655 1.00 8.18 C ATOM 488 O ILE A 63 -31.129 -7.579 -16.078 1.00 8.92 O ATOM 489 CB ILE A 63 -29.875 -4.685 -16.886 1.00 9.38 C ATOM 490 CG1 ILE A 63 -28.938 -5.320 -15.859 1.00 11.69 C ATOM 491 CG2 ILE A 63 -30.766 -3.644 -16.237 1.00 10.13 C ATOM 492 CD1 ILE A 63 -27.919 -6.233 -16.471 1.00 13.61 C ATOM 493 H ILE A 63 -31.532 -4.152 -18.804 1.00 0.00 H ATOM 494 N SER A 64 -32.857 -6.204 -16.492 1.00 8.51 N ATOM 495 CA SER A 64 -33.713 -6.904 -15.540 1.00 9.39 C ATOM 496 C SER A 64 -33.952 -8.360 -15.919 1.00 10.13 C ATOM 497 O SER A 64 -34.326 -9.150 -15.045 1.00 11.37 O ATOM 498 CB SER A 64 -35.049 -6.183 -15.355 1.00 10.09 C ATOM 499 OG SER A 64 -35.825 -6.218 -16.543 1.00 10.23 O ATOM 500 HG SER A 64 -36.681 -5.744 -16.391 1.00 0.00 H ATOM 501 H SER A 64 -33.236 -5.409 -17.044 1.00 0.00 H ATOM 502 N VAL A 65 -33.736 -8.743 -17.180 1.00 10.15 N ATOM 503 CA VAL A 65 -33.943 -10.120 -17.617 1.00 10.69 C ATOM 504 C VAL A 65 -32.634 -10.854 -17.885 1.00 10.76 C ATOM 505 O VAL A 65 -32.658 -11.994 -18.357 1.00 11.51 O ATOM 506 CB VAL A 65 -34.919 -10.236 -18.801 1.00 11.81 C ATOM 507 CG1 VAL A 65 -36.221 -9.522 -18.491 1.00 13.74 C ATOM 508 CG2 VAL A 65 -34.294 -9.703 -20.079 1.00 12.47 C ATOM 509 H VAL A 65 -33.410 -8.038 -17.872 1.00 0.00 H ATOM 510 N ALA A 66 -31.492 -10.248 -17.576 1.00 10.25 N ATOM 511 CA ALA A 66 -30.224 -10.941 -17.749 1.00 10.41 C ATOM 512 C ALA A 66 -30.169 -12.176 -16.858 1.00 11.55 C ATOM 513 O ALA A 66 -30.684 -12.183 -15.736 1.00 12.21 O ATOM 514 CB ALA A 66 -29.059 -10.012 -17.418 1.00 10.60 C ATOM 515 H ALA A 66 -31.505 -9.275 -17.209 1.00 0.00 H ATOM 516 N GLU A 67 -29.551 -13.230 -17.370 1.00 12.65 N ATOM 517 CA GLU A 67 -29.445 -14.482 -16.641 1.00 13.87 C ATOM 518 C GLU A 67 -28.172 -14.494 -15.803 1.00 12.46 C ATOM 519 O GLU A 67 -27.228 -13.740 -16.053 1.00 11.86 O ATOM 520 CB GLU A 67 -29.440 -15.658 -17.618 1.00 16.46 C ATOM 521 CG GLU A 67 -30.611 -15.657 -18.589 1.00 20.83 C ATOM 522 CD GLU A 67 -30.534 -16.787 -19.596 1.00 24.95 C ATOM 523 OE1 GLU A 67 -30.596 -17.962 -19.177 1.00 27.07 O ATOM 524 OE2 GLU A 67 -30.412 -16.504 -20.808 1.00 26.35 O ATOM 525 H GLU A 67 -29.131 -13.159 -18.319 1.00 0.00 H ATOM 526 N ASP A 68 -28.148 -15.379 -14.802 1.00 13.49 N ATOM 527 CA ASP A 68 -26.965 -15.491 -13.954 1.00 14.09 C ATOM 528 C ASP A 68 -25.722 -15.785 -14.784 1.00 14.02 C ATOM 529 O ASP A 68 -24.633 -15.282 -14.485 1.00 15.13 O ATOM 530 CB ASP A 68 -27.159 -16.600 -12.921 1.00 15.16 C ATOM 531 CG ASP A 68 -28.145 -16.232 -11.828 1.00 16.70 C ATOM 532 OD1 ASP A 68 -28.764 -15.149 -11.894 1.00 16.47 O ATOM 533 OD2 ASP A 68 -28.318 -17.052 -10.904 1.00 18.62 O ATOM 534 H ASP A 68 -28.972 -15.988 -14.627 1.00 0.00 H ATOM 535 N ASP A 69 -25.862 -16.604 -15.827 1.00 13.94 N ATOM 536 CA ASP A 69 -24.715 -16.949 -16.656 1.00 14.15 C ATOM 537 C ASP A 69 -24.268 -15.812 -17.564 1.00 13.42 C ATOM 538 O ASP A 69 -23.265 -15.977 -18.268 1.00 14.65 O ATOM 539 CB ASP A 69 -25.001 -18.210 -17.476 1.00 15.33 C ATOM 540 H ASP A 69 -26.798 -17.000 -16.050 1.00 0.00 H ATOM 541 N ASP A 70 -24.975 -14.678 -17.570 1.00 11.59 N ATOM 542 CA ASP A 70 -24.561 -13.506 -18.331 1.00 11.43 C ATOM 543 C ASP A 70 -23.544 -12.640 -17.590 1.00 10.25 C ATOM 544 O ASP A 70 -23.153 -11.599 -18.121 1.00 10.06 O ATOM 545 CB ASP A 70 -25.781 -12.646 -18.694 1.00 11.80 C ATOM 546 CG ASP A 70 -26.666 -13.284 -19.751 1.00 12.82 C ATOM 547 OD1 ASP A 70 -26.135 -13.949 -20.667 1.00 13.70 O ATOM 548 OD2 ASP A 70 -27.900 -13.100 -19.670 1.00 14.62 O ATOM 549 H ASP A 70 -25.851 -14.630 -17.012 1.00 0.00 H ATOM 550 N GLU A 71 -23.097 -13.041 -16.394 1.00 10.22 N ATOM 551 CA GLU A 71 -22.215 -12.183 -15.602 1.00 10.84 C ATOM 552 C GLU A 71 -20.944 -11.826 -16.356 1.00 10.12 C ATOM 553 O GLU A 71 -20.537 -10.661 -16.386 1.00 10.19 O ATOM 554 CB GLU A 71 -21.843 -12.857 -14.284 1.00 12.72 C ATOM 555 CG GLU A 71 -22.902 -12.760 -13.235 1.00 13.33 C ATOM 556 CD GLU A 71 -22.452 -13.284 -11.890 1.00 13.80 C ATOM 557 OE1 GLU A 71 -21.330 -13.834 -11.779 1.00 15.15 O ATOM 558 OE2 GLU A 71 -23.247 -13.156 -10.946 1.00 13.44 O ATOM 559 H GLU A 71 -23.379 -13.971 -16.024 1.00 0.00 H ATOM 560 N SER A 72 -20.278 -12.821 -16.940 1.00 9.63 N ATOM 561 CA SER A 72 -19.018 -12.540 -17.616 1.00 10.44 C ATOM 562 C SER A 72 -19.226 -11.590 -18.786 1.00 9.46 C ATOM 563 O SER A 72 -18.421 -10.680 -19.002 1.00 9.82 O ATOM 564 CB SER A 72 -18.362 -13.842 -18.072 1.00 12.14 C ATOM 565 OG SER A 72 -19.154 -14.496 -19.044 1.00 13.66 O ATOM 566 HG SER A 72 -19.266 -13.904 -19.830 1.00 0.00 H ATOM 567 H SER A 72 -20.654 -13.790 -16.914 1.00 0.00 H ATOM 568 N LEU A 73 -20.311 -11.781 -19.540 1.00 8.70 N ATOM 569 CA LEU A 73 -20.613 -10.913 -20.671 1.00 8.50 C ATOM 570 C LEU A 73 -20.873 -9.486 -20.212 1.00 7.89 C ATOM 571 O LEU A 73 -20.381 -8.528 -20.820 1.00 8.58 O ATOM 572 CB LEU A 73 -21.827 -11.470 -21.414 1.00 9.53 C ATOM 573 CG LEU A 73 -22.391 -10.606 -22.538 1.00 10.67 C ATOM 574 CD1 LEU A 73 -21.347 -10.374 -23.621 1.00 11.29 C ATOM 575 CD2 LEU A 73 -23.635 -11.252 -23.128 1.00 11.65 C ATOM 576 H LEU A 73 -20.955 -12.566 -19.315 1.00 0.00 H ATOM 577 N LEU A 74 -21.659 -9.324 -19.148 1.00 7.97 N ATOM 578 CA LEU A 74 -21.943 -7.982 -18.654 1.00 7.84 C ATOM 579 C LEU A 74 -20.676 -7.299 -18.161 1.00 7.67 C ATOM 580 O LEU A 74 -20.448 -6.115 -18.446 1.00 8.55 O ATOM 581 CB LEU A 74 -22.988 -8.047 -17.544 1.00 8.99 C ATOM 582 CG LEU A 74 -24.389 -8.484 -17.966 1.00 9.99 C ATOM 583 CD1 LEU A 74 -25.262 -8.697 -16.741 1.00 11.53 C ATOM 584 CD2 LEU A 74 -25.019 -7.472 -18.905 1.00 11.17 C ATOM 585 H LEU A 74 -22.069 -10.153 -18.671 1.00 0.00 H ATOM 586 N GLY A 75 -19.837 -8.030 -17.423 1.00 7.88 N ATOM 587 CA GLY A 75 -18.570 -7.460 -17.003 1.00 8.17 C ATOM 588 C GLY A 75 -17.684 -7.109 -18.180 1.00 8.20 C ATOM 589 O GLY A 75 -16.959 -6.108 -18.148 1.00 8.78 O ATOM 590 H GLY A 75 -20.090 -9.001 -17.151 1.00 0.00 H ATOM 591 N HIS A 76 -17.736 -7.923 -19.238 1.00 8.21 N ATOM 592 CA HIS A 76 -16.957 -7.630 -20.434 1.00 7.71 C ATOM 593 C HIS A 76 -17.374 -6.306 -21.059 1.00 7.77 C ATOM 594 O HIS A 76 -16.530 -5.579 -21.589 1.00 8.18 O ATOM 595 CB HIS A 76 -17.109 -8.775 -21.441 1.00 8.64 C ATOM 596 CG HIS A 76 -16.208 -8.669 -22.630 1.00 8.80 C ATOM 597 ND1 HIS A 76 -14.833 -8.686 -22.529 1.00 10.79 N ATOM 598 CD2 HIS A 76 -16.487 -8.580 -23.952 1.00 9.10 C ATOM 599 CE1 HIS A 76 -14.303 -8.604 -23.738 1.00 10.08 C ATOM 600 NE2 HIS A 76 -15.286 -8.540 -24.619 1.00 9.42 N ATOM 601 H HIS A 76 -18.337 -8.772 -19.208 1.00 0.00 H ATOM 602 N LEU A 77 -18.670 -5.982 -21.019 1.00 8.15 N ATOM 603 CA LEU A 77 -19.100 -4.679 -21.524 1.00 7.89 C ATOM 604 C LEU A 77 -18.388 -3.550 -20.792 1.00 7.60 C ATOM 605 O LEU A 77 -17.966 -2.564 -21.410 1.00 8.17 O ATOM 606 CB LEU A 77 -20.614 -4.519 -21.384 1.00 8.93 C ATOM 607 CG LEU A 77 -21.514 -5.565 -22.042 1.00 9.59 C ATOM 608 CD1 LEU A 77 -22.969 -5.195 -21.822 1.00 10.27 C ATOM 609 CD2 LEU A 77 -21.223 -5.731 -23.535 1.00 10.15 C ATOM 610 H LEU A 77 -19.366 -6.651 -20.632 1.00 0.00 H ATOM 611 N MET A 78 -18.244 -3.684 -19.474 1.00 8.00 N ATOM 612 CA MET A 78 -17.584 -2.656 -18.677 1.00 8.53 C ATOM 613 C MET A 78 -16.087 -2.606 -18.950 1.00 7.96 C ATOM 614 O MET A 78 -15.502 -1.519 -19.022 1.00 8.17 O ATOM 615 CB MET A 78 -17.842 -2.904 -17.194 1.00 10.73 C ATOM 616 CG MET A 78 -19.068 -2.214 -16.679 1.00 14.93 C ATOM 617 SD MET A 78 -19.311 -2.556 -14.944 1.00 17.55 S ATOM 618 CE MET A 78 -19.949 -4.217 -15.095 1.00 16.42 C ATOM 619 H MET A 78 -18.609 -4.537 -19.005 1.00 0.00 H ATOM 620 N ILE A 79 -15.444 -3.767 -19.078 1.00 7.51 N ATOM 621 CA ILE A 79 -14.019 -3.777 -19.386 1.00 7.77 C ATOM 622 C ILE A 79 -13.766 -3.173 -20.759 1.00 7.58 C ATOM 623 O ILE A 79 -12.845 -2.367 -20.943 1.00 8.07 O ATOM 624 CB ILE A 79 -13.448 -5.199 -19.262 1.00 9.13 C ATOM 625 CG1 ILE A 79 -13.512 -5.668 -17.807 1.00 10.18 C ATOM 626 CG2 ILE A 79 -12.023 -5.243 -19.788 1.00 10.31 C ATOM 627 CD1 ILE A 79 -12.688 -4.829 -16.849 1.00 11.93 C ATOM 628 H ILE A 79 -15.958 -4.663 -18.958 1.00 0.00 H ATOM 629 N VAL A 80 -14.577 -3.547 -21.748 1.00 7.60 N ATOM 630 CA VAL A 80 -14.435 -2.945 -23.069 1.00 7.75 C ATOM 631 C VAL A 80 -14.717 -1.447 -23.009 1.00 7.56 C ATOM 632 O VAL A 80 -14.014 -0.644 -23.634 1.00 8.26 O ATOM 633 CB VAL A 80 -15.319 -3.685 -24.091 1.00 7.95 C ATOM 634 CG1 VAL A 80 -15.422 -2.895 -25.385 1.00 8.24 C ATOM 635 CG2 VAL A 80 -14.731 -5.063 -24.368 1.00 8.24 C ATOM 636 H VAL A 80 -15.309 -4.266 -21.578 1.00 0.00 H ATOM 637 N GLY A 81 -15.735 -1.048 -22.243 1.00 7.63 N ATOM 638 CA GLY A 81 -16.031 0.369 -22.093 1.00 8.14 C ATOM 639 C GLY A 81 -14.857 1.153 -21.543 1.00 7.46 C ATOM 640 O GLY A 81 -14.511 2.223 -22.058 1.00 7.50 O ATOM 641 H GLY A 81 -16.320 -1.753 -21.751 1.00 0.00 H ATOM 642 N LYS A 82 -14.230 0.640 -20.479 1.00 7.14 N ATOM 643 CA LYS A 82 -13.115 1.384 -19.907 1.00 8.38 C ATOM 644 C LYS A 82 -11.896 1.371 -20.829 1.00 7.95 C ATOM 645 O LYS A 82 -11.165 2.363 -20.900 1.00 8.63 O ATOM 646 CB LYS A 82 -12.816 0.934 -18.472 1.00 9.96 C ATOM 647 CG LYS A 82 -12.171 -0.421 -18.332 1.00 11.02 C ATOM 648 CD LYS A 82 -10.662 -0.304 -18.263 1.00 12.62 C ATOM 649 CE LYS A 82 -10.033 -1.611 -17.860 1.00 15.77 C ATOM 650 NZ LYS A 82 -8.550 -1.525 -17.866 1.00 17.63 N ATOM 651 HZ1 LYS A 82 -8.222 -1.282 -18.822 1.00 0.00 H ATOM 652 HZ2 LYS A 82 -8.244 -0.791 -17.196 1.00 0.00 H ATOM 653 HZ3 LYS A 82 -8.150 -2.442 -17.584 1.00 0.00 H ATOM 654 H LYS A 82 -14.531 -0.268 -20.070 1.00 0.00 H ATOM 655 N LYS A 83 -11.676 0.276 -21.562 1.00 8.40 N ATOM 656 CA LYS A 83 -10.562 0.246 -22.504 1.00 9.07 C ATOM 657 C LYS A 83 -10.793 1.215 -23.656 1.00 8.57 C ATOM 658 O LYS A 83 -9.875 1.942 -24.059 1.00 9.68 O ATOM 659 CB LYS A 83 -10.338 -1.177 -23.015 1.00 10.50 C ATOM 660 CG LYS A 83 -9.770 -2.104 -21.948 1.00 13.22 C ATOM 661 CD LYS A 83 -9.530 -3.508 -22.472 1.00 14.49 C ATOM 662 CE LYS A 83 -8.875 -4.371 -21.403 1.00 15.60 C ATOM 663 NZ LYS A 83 -8.718 -5.781 -21.853 1.00 16.50 N ATOM 664 HZ1 LYS A 83 -9.653 -6.181 -22.069 1.00 0.00 H ATOM 665 HZ2 LYS A 83 -8.123 -5.807 -22.706 1.00 0.00 H ATOM 666 HZ3 LYS A 83 -8.268 -6.337 -21.098 1.00 0.00 H ATOM 667 H LYS A 83 -12.297 -0.552 -21.462 1.00 0.00 H ATOM 668 N CYS A 84 -12.018 1.249 -24.189 1.00 8.33 N ATOM 669 CA CYS A 84 -12.335 2.207 -25.244 1.00 8.29 C ATOM 670 C CYS A 84 -12.199 3.642 -24.752 1.00 7.95 C ATOM 671 O CYS A 84 -11.701 4.507 -25.481 1.00 8.64 O ATOM 672 CB CYS A 84 -13.743 1.955 -25.776 1.00 9.05 C ATOM 673 SG CYS A 84 -13.896 0.462 -26.769 1.00 10.04 S ATOM 674 H CYS A 84 -12.748 0.590 -23.851 1.00 0.00 H ATOM 675 N ALA A 85 -12.637 3.919 -23.520 1.00 8.09 N ATOM 676 CA ALA A 85 -12.510 5.268 -22.981 1.00 8.28 C ATOM 677 C ALA A 85 -11.051 5.693 -22.924 1.00 8.51 C ATOM 678 O ALA A 85 -10.710 6.827 -23.282 1.00 9.28 O ATOM 679 CB ALA A 85 -13.139 5.332 -21.591 1.00 8.67 C ATOM 680 H ALA A 85 -13.070 3.170 -22.944 1.00 0.00 H ATOM 681 N ALA A 86 -10.170 4.786 -22.497 1.00 9.41 N ATOM 682 CA ALA A 86 -8.745 5.098 -22.487 1.00 11.13 C ATOM 683 C ALA A 86 -8.216 5.316 -23.900 1.00 11.57 C ATOM 684 O ALA A 86 -7.448 6.256 -24.142 1.00 12.64 O ATOM 685 CB ALA A 86 -7.969 3.986 -21.785 1.00 11.80 C ATOM 686 H ALA A 86 -10.500 3.855 -22.171 1.00 0.00 H ATOM 687 N ASP A 87 -8.623 4.463 -24.846 1.00 11.80 N ATOM 688 CA ASP A 87 -8.165 4.604 -26.227 1.00 12.67 C ATOM 689 C ASP A 87 -8.638 5.911 -26.849 1.00 12.29 C ATOM 690 O ASP A 87 -7.984 6.439 -27.757 1.00 13.34 O ATOM 691 CB ASP A 87 -8.670 3.434 -27.077 1.00 15.12 C ATOM 692 CG ASP A 87 -8.026 2.108 -26.708 1.00 19.13 C ATOM 693 OD1 ASP A 87 -6.995 2.104 -26.002 1.00 20.84 O ATOM 694 OD2 ASP A 87 -8.556 1.062 -27.145 1.00 21.36 O ATOM 695 H ASP A 87 -9.273 3.690 -24.596 1.00 0.00 H ATOM 696 N LEU A 88 -9.775 6.431 -26.390 1.00 11.44 N ATOM 697 CA LEU A 88 -10.329 7.695 -26.853 1.00 11.54 C ATOM 698 C LEU A 88 -9.817 8.889 -26.055 1.00 12.04 C ATOM 699 O LEU A 88 -10.288 10.012 -26.267 1.00 13.51 O ATOM 700 CB LEU A 88 -11.858 7.645 -26.830 1.00 11.61 C ATOM 701 CG LEU A 88 -12.476 6.686 -27.858 1.00 12.55 C ATOM 702 CD1 LEU A 88 -13.976 6.563 -27.636 1.00 14.31 C ATOM 703 CD2 LEU A 88 -12.177 7.131 -29.281 1.00 14.37 C ATOM 704 H LEU A 88 -10.296 5.905 -25.660 1.00 0.00 H ATOM 705 N GLY A 89 -8.872 8.676 -25.145 1.00 11.71 N ATOM 706 CA GLY A 89 -8.248 9.790 -24.455 1.00 11.98 C ATOM 707 C GLY A 89 -9.062 10.420 -23.350 1.00 11.61 C ATOM 708 O GLY A 89 -8.841 11.592 -23.032 1.00 12.32 O ATOM 709 H GLY A 89 -8.577 7.703 -24.926 1.00 0.00 H ATOM 710 N LEU A 90 -9.990 9.681 -22.741 1.00 10.89 N ATOM 711 CA LEU A 90 -10.816 10.218 -21.662 1.00 11.07 C ATOM 712 C LEU A 90 -10.078 10.114 -20.324 1.00 12.52 C ATOM 713 O LEU A 90 -10.529 9.486 -19.365 1.00 13.34 O ATOM 714 CB LEU A 90 -12.176 9.537 -21.629 1.00 10.29 C ATOM 715 CG LEU A 90 -12.986 9.661 -22.920 1.00 10.49 C ATOM 716 CD1 LEU A 90 -14.325 8.962 -22.761 1.00 10.86 C ATOM 717 CD2 LEU A 90 -13.176 11.131 -23.310 1.00 11.05 C ATOM 718 H LEU A 90 -10.130 8.695 -23.042 1.00 0.00 H ATOM 719 N ASN A 91 -8.925 10.784 -20.276 1.00 13.43 N ATOM 720 CA ASN A 91 -7.990 10.654 -19.164 1.00 14.87 C ATOM 721 C ASN A 91 -8.457 11.354 -17.895 1.00 13.94 C ATOM 722 O ASN A 91 -7.866 11.128 -16.834 1.00 15.36 O ATOM 723 CB ASN A 91 -6.597 11.151 -19.580 1.00 17.96 C ATOM 724 CG ASN A 91 -6.614 12.574 -20.137 1.00 21.40 C ATOM 725 OD1 ASN A 91 -7.284 13.458 -19.602 1.00 22.94 O ATOM 726 ND2 ASN A 91 -5.872 12.797 -21.219 1.00 22.93 N ATOM 727 HD22 ASN A 91 -5.321 12.022 -21.640 1.00 0.00 H ATOM 728 HD21 ASN A 91 -5.844 13.746 -21.643 1.00 0.00 H ATOM 729 H ASN A 91 -8.684 11.423 -21.061 1.00 0.00 H ATOM 730 N LYS A 92 -9.483 12.196 -17.971 1.00 11.83 N ATOM 731 CA LYS A 92 -10.009 12.869 -16.796 1.00 11.74 C ATOM 732 C LYS A 92 -11.218 12.163 -16.210 1.00 10.13 C ATOM 733 O LYS A 92 -11.718 12.579 -15.159 1.00 11.65 O ATOM 734 CB LYS A 92 -10.344 14.322 -17.117 1.00 14.36 C ATOM 735 CG LYS A 92 -9.105 15.199 -17.193 1.00 18.32 C ATOM 736 CD LYS A 92 -9.416 16.677 -17.000 1.00 21.82 C ATOM 737 CE LYS A 92 -10.298 16.904 -15.773 1.00 24.44 C ATOM 738 NZ LYS A 92 -9.544 17.310 -14.541 1.00 26.05 N ATOM 739 HZ1 LYS A 92 -8.861 16.566 -14.293 1.00 0.00 H ATOM 740 HZ2 LYS A 92 -9.038 18.200 -14.723 1.00 0.00 H ATOM 741 HZ3 LYS A 92 -10.212 17.444 -13.755 1.00 0.00 H ATOM 742 H LYS A 92 -9.921 12.378 -18.897 1.00 0.00 H ATOM 743 N GLY A 93 -11.698 11.112 -16.852 1.00 9.07 N ATOM 744 CA GLY A 93 -12.767 10.307 -16.310 1.00 8.94 C ATOM 745 C GLY A 93 -13.964 10.265 -17.234 1.00 7.35 C ATOM 746 O GLY A 93 -13.963 10.813 -18.336 1.00 8.54 O ATOM 747 H GLY A 93 -11.293 10.857 -17.776 1.00 0.00 H ATOM 748 N TYR A 94 -15.002 9.600 -16.748 1.00 6.60 N ATOM 749 CA TYR A 94 -16.181 9.330 -17.558 1.00 6.69 C ATOM 750 C TYR A 94 -17.223 8.683 -16.662 1.00 6.34 C ATOM 751 O TYR A 94 -16.951 8.324 -15.514 1.00 6.28 O ATOM 752 CB TYR A 94 -15.861 8.426 -18.756 1.00 7.15 C ATOM 753 CG TYR A 94 -15.025 7.228 -18.402 1.00 7.49 C ATOM 754 CD1 TYR A 94 -15.612 6.062 -17.910 1.00 7.54 C ATOM 755 CD2 TYR A 94 -13.646 7.262 -18.548 1.00 8.16 C ATOM 756 CE1 TYR A 94 -14.841 4.960 -17.585 1.00 8.09 C ATOM 757 CE2 TYR A 94 -12.863 6.161 -18.229 1.00 8.70 C ATOM 758 CZ TYR A 94 -13.466 5.014 -17.741 1.00 8.14 C ATOM 759 OH TYR A 94 -12.701 3.917 -17.410 1.00 9.44 O ATOM 760 HH TYR A 94 -12.209 3.606 -18.211 1.00 0.00 H ATOM 761 H TYR A 94 -14.974 9.263 -15.765 1.00 0.00 H ATOM 762 N ARG A 95 -18.423 8.538 -17.205 1.00 6.11 N ATOM 763 CA ARG A 95 -19.534 7.919 -16.504 1.00 6.25 C ATOM 764 C ARG A 95 -20.100 6.800 -17.367 1.00 5.28 C ATOM 765 O ARG A 95 -20.280 6.966 -18.578 1.00 6.38 O ATOM 766 CB ARG A 95 -20.639 8.941 -16.196 1.00 6.15 C ATOM 767 CG ARG A 95 -21.853 8.331 -15.529 1.00 6.50 C ATOM 768 CD ARG A 95 -22.735 9.408 -14.921 1.00 6.53 C ATOM 769 NE ARG A 95 -22.042 10.069 -13.822 1.00 6.63 N ATOM 770 CZ ARG A 95 -22.344 11.263 -13.335 1.00 6.10 C ATOM 771 NH1 ARG A 95 -23.348 11.968 -13.847 1.00 6.51 N ATOM 772 NH2 ARG A 95 -21.627 11.745 -12.333 1.00 6.12 N ATOM 773 HE ARG A 95 -21.246 9.562 -13.385 1.00 0.00 H ATOM 774 HH12 ARG A 95 -23.577 12.905 -13.458 1.00 0.00 H ATOM 775 HH11 ARG A 95 -23.904 11.583 -14.637 1.00 0.00 H ATOM 776 HH22 ARG A 95 -21.849 12.681 -11.937 1.00 0.00 H ATOM 777 HH21 ARG A 95 -20.841 11.188 -11.941 1.00 0.00 H ATOM 778 H ARG A 95 -18.576 8.882 -18.174 1.00 0.00 H ATOM 779 N MET A 96 -20.370 5.659 -16.737 1.00 5.52 N ATOM 780 CA MET A 96 -21.025 4.524 -17.376 1.00 5.38 C ATOM 781 C MET A 96 -22.462 4.447 -16.888 1.00 5.64 C ATOM 782 O MET A 96 -22.728 4.632 -15.696 1.00 6.00 O ATOM 783 CB MET A 96 -20.319 3.222 -17.004 1.00 6.46 C ATOM 784 CG MET A 96 -18.920 3.121 -17.543 1.00 8.49 C ATOM 785 SD MET A 96 -18.176 1.547 -17.132 1.00 10.30 S ATOM 786 CE MET A 96 -16.857 1.552 -18.339 1.00 10.91 C ATOM 787 H MET A 96 -20.100 5.573 -15.737 1.00 0.00 H ATOM 788 N VAL A 97 -23.388 4.152 -17.797 1.00 5.70 N ATOM 789 CA VAL A 97 -24.814 4.144 -17.483 1.00 5.88 C ATOM 790 C VAL A 97 -25.480 2.962 -18.176 1.00 5.72 C ATOM 791 O VAL A 97 -25.257 2.732 -19.369 1.00 6.36 O ATOM 792 CB VAL A 97 -25.503 5.449 -17.925 1.00 6.55 C ATOM 793 CG1 VAL A 97 -26.965 5.429 -17.519 1.00 7.57 C ATOM 794 CG2 VAL A 97 -24.809 6.657 -17.330 1.00 7.24 C ATOM 795 H VAL A 97 -23.086 3.919 -18.764 1.00 0.00 H ATOM 796 N VAL A 98 -26.308 2.224 -17.440 1.00 5.93 N ATOM 797 CA VAL A 98 -27.217 1.244 -18.027 1.00 6.31 C ATOM 798 C VAL A 98 -28.621 1.584 -17.562 1.00 6.63 C ATOM 799 O VAL A 98 -28.866 1.697 -16.357 1.00 7.49 O ATOM 800 CB VAL A 98 -26.854 -0.201 -17.636 1.00 7.63 C ATOM 801 CG1 VAL A 98 -27.856 -1.180 -18.240 1.00 8.60 C ATOM 802 CG2 VAL A 98 -25.453 -0.541 -18.078 1.00 8.81 C ATOM 803 H VAL A 98 -26.307 2.350 -16.408 1.00 0.00 H ATOM 804 N ASN A 99 -29.543 1.735 -18.507 1.00 6.71 N ATOM 805 CA ASN A 99 -30.917 2.106 -18.198 1.00 7.25 C ATOM 806 C ASN A 99 -31.864 0.926 -18.335 1.00 7.89 C ATOM 807 O ASN A 99 -31.825 0.197 -19.332 1.00 8.91 O ATOM 808 CB ASN A 99 -31.371 3.222 -19.123 1.00 6.74 C ATOM 809 CG ASN A 99 -30.548 4.454 -18.941 1.00 7.84 C ATOM 810 OD1 ASN A 99 -30.241 4.821 -17.810 1.00 8.25 O ATOM 811 ND2 ASN A 99 -30.152 5.083 -20.038 1.00 8.61 N ATOM 812 HD22 ASN A 99 -30.441 4.730 -20.973 1.00 0.00 H ATOM 813 HD21 ASN A 99 -29.553 5.930 -19.964 1.00 0.00 H ATOM 814 H ASN A 99 -29.274 1.583 -19.500 1.00 0.00 H ATOM 815 N GLU A 100 -32.737 0.769 -17.347 1.00 7.94 N ATOM 816 CA GLU A 100 -33.757 -0.270 -17.332 1.00 7.66 C ATOM 817 C GLU A 100 -35.136 0.370 -17.415 1.00 7.84 C ATOM 818 O GLU A 100 -35.531 1.133 -16.524 1.00 8.18 O ATOM 819 CB GLU A 100 -33.664 -1.101 -16.055 1.00 8.87 C ATOM 820 CG GLU A 100 -34.885 -1.980 -15.804 1.00 9.26 C ATOM 821 CD GLU A 100 -34.996 -3.144 -16.773 1.00 9.66 C ATOM 822 OE1 GLU A 100 -33.958 -3.594 -17.297 1.00 9.44 O ATOM 823 OE2 GLU A 100 -36.129 -3.628 -16.992 1.00 10.24 O ATOM 824 H GLU A 100 -32.690 1.424 -16.540 1.00 0.00 H ATOM 825 N GLY A 101 -35.876 0.030 -18.468 1.00 8.49 N ATOM 826 CA GLY A 101 -37.288 0.320 -18.506 1.00 9.78 C ATOM 827 C GLY A 101 -37.637 1.800 -18.529 1.00 9.54 C ATOM 828 O GLY A 101 -36.830 2.680 -18.850 1.00 8.82 O ATOM 829 H GLY A 101 -35.430 -0.451 -19.274 1.00 0.00 H ATOM 830 N SER A 102 -38.887 2.060 -18.151 1.00 10.26 N ATOM 831 CA SER A 102 -39.469 3.385 -18.326 1.00 10.99 C ATOM 832 C SER A 102 -38.801 4.414 -17.423 1.00 10.01 C ATOM 833 O SER A 102 -38.396 5.489 -17.884 1.00 10.09 O ATOM 834 CB SER A 102 -40.973 3.318 -18.060 1.00 13.27 C ATOM 835 OG SER A 102 -41.597 4.552 -18.350 1.00 16.32 O ATOM 836 HG SER A 102 -41.206 5.260 -17.780 1.00 0.00 H ATOM 837 H SER A 102 -39.459 1.304 -17.723 1.00 0.00 H ATOM 838 N ASP A 103 -38.686 4.109 -16.126 1.00 10.06 N ATOM 839 CA ASP A 103 -38.067 5.062 -15.208 1.00 10.22 C ATOM 840 C ASP A 103 -36.583 5.238 -15.492 1.00 9.39 C ATOM 841 O ASP A 103 -36.017 6.287 -15.171 1.00 9.17 O ATOM 842 CB ASP A 103 -38.273 4.633 -13.755 1.00 10.84 C ATOM 843 CG ASP A 103 -39.594 5.114 -13.176 1.00 12.16 C ATOM 844 OD1 ASP A 103 -40.334 5.855 -13.863 1.00 13.51 O ATOM 845 OD2 ASP A 103 -39.888 4.754 -12.018 1.00 12.94 O ATOM 846 H ASP A 103 -39.036 3.196 -15.772 1.00 0.00 H ATOM 847 N GLY A 104 -35.933 4.231 -16.078 1.00 9.42 N ATOM 848 CA GLY A 104 -34.554 4.406 -16.485 1.00 9.78 C ATOM 849 C GLY A 104 -34.371 5.187 -17.762 1.00 9.68 C ATOM 850 O GLY A 104 -33.248 5.592 -18.075 1.00 10.55 O ATOM 851 H GLY A 104 -36.415 3.324 -16.242 1.00 0.00 H ATOM 852 N GLY A 105 -35.447 5.401 -18.515 1.00 9.39 N ATOM 853 CA GLY A 105 -35.337 6.072 -19.794 1.00 10.13 C ATOM 854 C GLY A 105 -34.922 5.183 -20.942 1.00 9.31 C ATOM 855 O GLY A 105 -34.517 5.694 -21.993 1.00 9.63 O ATOM 856 H GLY A 105 -36.379 5.082 -18.181 1.00 0.00 H ATOM 857 N GLN A 106 -35.001 3.863 -20.778 1.00 8.60 N ATOM 858 CA GLN A 106 -34.610 2.961 -21.850 1.00 8.55 C ATOM 859 C GLN A 106 -35.461 3.201 -23.097 1.00 8.58 C ATOM 860 O GLN A 106 -36.684 3.355 -23.024 1.00 10.30 O ATOM 861 CB GLN A 106 -34.727 1.512 -21.371 1.00 9.50 C ATOM 862 CG GLN A 106 -34.184 0.520 -22.382 1.00 9.76 C ATOM 863 CD GLN A 106 -33.964 -0.868 -21.817 1.00 8.88 C ATOM 864 OE1 GLN A 106 -34.446 -1.213 -20.738 1.00 9.05 O ATOM 865 NE2 GLN A 106 -33.216 -1.672 -22.556 1.00 9.25 N ATOM 866 HE22 GLN A 106 -32.830 -1.337 -23.462 1.00 0.00 H ATOM 867 HE21 GLN A 106 -33.014 -2.639 -22.231 1.00 0.00 H ATOM 868 H GLN A 106 -35.345 3.475 -19.877 1.00 0.00 H ATOM 869 N SER A 107 -34.801 3.243 -24.256 1.00 8.26 N ATOM 870 CA SER A 107 -35.481 3.479 -25.520 1.00 8.34 C ATOM 871 C SER A 107 -35.214 2.406 -26.558 1.00 8.54 C ATOM 872 O SER A 107 -35.987 2.292 -27.516 1.00 9.86 O ATOM 873 CB SER A 107 -35.092 4.847 -26.107 1.00 8.94 C ATOM 874 OG SER A 107 -33.712 4.895 -26.420 1.00 8.73 O ATOM 875 HG SER A 107 -33.491 5.784 -26.795 1.00 0.00 H ATOM 876 H SER A 107 -33.770 3.103 -24.256 1.00 0.00 H ATOM 877 N VAL A 108 -34.142 1.638 -26.412 1.00 8.11 N ATOM 878 CA VAL A 108 -33.851 0.495 -27.266 1.00 7.62 C ATOM 879 C VAL A 108 -33.739 -0.717 -26.355 1.00 7.74 C ATOM 880 O VAL A 108 -32.899 -0.737 -25.444 1.00 7.52 O ATOM 881 CB VAL A 108 -32.563 0.694 -28.080 1.00 8.55 C ATOM 882 CG1 VAL A 108 -32.330 -0.497 -28.982 1.00 8.82 C ATOM 883 CG2 VAL A 108 -32.630 1.985 -28.905 1.00 9.13 C ATOM 884 H VAL A 108 -33.474 1.864 -25.647 1.00 0.00 H ATOM 885 N TYR A 109 -34.597 -1.711 -26.576 1.00 7.58 N ATOM 886 CA TYR A 109 -34.632 -2.885 -25.708 1.00 7.71 C ATOM 887 C TYR A 109 -33.650 -3.952 -26.192 1.00 7.60 C ATOM 888 O TYR A 109 -33.988 -5.071 -26.594 1.00 7.66 O ATOM 889 CB TYR A 109 -36.063 -3.372 -25.500 1.00 8.65 C ATOM 890 CG TYR A 109 -36.764 -2.477 -24.505 1.00 8.90 C ATOM 891 CD1 TYR A 109 -37.374 -1.296 -24.907 1.00 9.01 C ATOM 892 CD2 TYR A 109 -36.754 -2.775 -23.153 1.00 9.52 C ATOM 893 CE1 TYR A 109 -37.984 -0.446 -23.979 1.00 10.68 C ATOM 894 CE2 TYR A 109 -37.360 -1.947 -22.227 1.00 10.84 C ATOM 895 CZ TYR A 109 -37.975 -0.785 -22.639 1.00 11.44 C ATOM 896 OH TYR A 109 -38.575 0.032 -21.702 1.00 12.79 O ATOM 897 HH TYR A 109 -38.968 0.819 -22.156 1.00 0.00 H ATOM 898 H TYR A 109 -35.253 -1.650 -27.380 1.00 0.00 H ATOM 899 N HIS A 110 -32.389 -3.530 -26.149 1.00 7.64 N ATOM 900 CA HIS A 110 -31.216 -4.381 -26.288 1.00 7.47 C ATOM 901 C HIS A 110 -30.199 -3.768 -25.339 1.00 7.51 C ATOM 902 O HIS A 110 -29.925 -2.567 -25.440 1.00 8.84 O ATOM 903 CB HIS A 110 -30.717 -4.339 -27.738 1.00 8.37 C ATOM 904 CG HIS A 110 -29.525 -5.203 -28.011 1.00 8.35 C ATOM 905 ND1 HIS A 110 -29.584 -6.318 -28.820 1.00 11.01 N ATOM 906 CD2 HIS A 110 -28.235 -5.094 -27.613 1.00 8.37 C ATOM 907 CE1 HIS A 110 -28.384 -6.866 -28.896 1.00 9.62 C ATOM 908 NE2 HIS A 110 -27.546 -6.142 -28.175 1.00 7.90 N ATOM 909 H HIS A 110 -32.229 -2.513 -26.005 1.00 0.00 H ATOM 910 N VAL A 111 -29.705 -4.562 -24.381 1.00 7.54 N ATOM 911 CA VAL A 111 -28.866 -4.028 -23.309 1.00 7.72 C ATOM 912 C VAL A 111 -27.771 -3.158 -23.886 1.00 7.26 C ATOM 913 O VAL A 111 -27.073 -3.555 -24.825 1.00 7.53 O ATOM 914 CB VAL A 111 -28.274 -5.171 -22.461 1.00 8.70 C ATOM 915 CG1 VAL A 111 -27.096 -4.665 -21.616 1.00 10.74 C ATOM 916 CG2 VAL A 111 -29.337 -5.783 -21.586 1.00 10.08 C ATOM 917 H VAL A 111 -29.922 -5.579 -24.400 1.00 0.00 H ATOM 918 N ASN A 112 -27.617 -1.958 -23.323 1.00 7.36 N ATOM 919 CA ASN A 112 -26.615 -1.028 -23.815 1.00 7.29 C ATOM 920 C ASN A 112 -25.990 -0.248 -22.666 1.00 7.07 C ATOM 921 O ASN A 112 -26.694 0.316 -21.818 1.00 8.10 O ATOM 922 CB ASN A 112 -27.159 -0.118 -24.943 1.00 8.46 C ATOM 923 CG ASN A 112 -28.314 0.793 -24.511 1.00 9.01 C ATOM 924 OD1 ASN A 112 -28.091 1.937 -24.130 1.00 10.21 O ATOM 925 ND2 ASN A 112 -29.547 0.312 -24.636 1.00 9.99 N ATOM 926 HD22 ASN A 112 -29.694 -0.664 -24.963 1.00 0.00 H ATOM 927 HD21 ASN A 112 -30.365 0.912 -24.407 1.00 0.00 H ATOM 928 H ASN A 112 -28.222 -1.685 -22.522 1.00 0.00 H ATOM 929 N LEU A 113 -24.661 -0.251 -22.629 1.00 6.12 N ATOM 930 CA LEU A 113 -23.883 0.490 -21.648 1.00 6.49 C ATOM 931 C LEU A 113 -23.410 1.784 -22.297 1.00 6.18 C ATOM 932 O LEU A 113 -22.714 1.744 -23.317 1.00 6.05 O ATOM 933 CB LEU A 113 -22.676 -0.352 -21.230 1.00 7.32 C ATOM 934 CG LEU A 113 -21.642 0.291 -20.302 1.00 8.28 C ATOM 935 CD1 LEU A 113 -22.188 0.451 -18.890 1.00 9.24 C ATOM 936 CD2 LEU A 113 -20.329 -0.490 -20.291 1.00 8.93 C ATOM 937 H LEU A 113 -24.150 -0.813 -23.339 1.00 0.00 H ATOM 938 N HIS A 114 -23.799 2.926 -21.726 1.00 5.37 N ATOM 939 CA HIS A 114 -23.309 4.220 -22.194 1.00 5.64 C ATOM 940 C HIS A 114 -21.996 4.541 -21.504 1.00 5.17 C ATOM 941 O HIS A 114 -21.828 4.264 -20.314 1.00 6.07 O ATOM 942 CB HIS A 114 -24.268 5.341 -21.799 1.00 5.91 C ATOM 943 CG HIS A 114 -25.631 5.226 -22.393 1.00 5.59 C ATOM 944 ND1 HIS A 114 -26.091 6.082 -23.371 1.00 6.13 N ATOM 945 CD2 HIS A 114 -26.639 4.363 -22.136 1.00 6.86 C ATOM 946 CE1 HIS A 114 -27.323 5.734 -23.700 1.00 6.39 C ATOM 947 NE2 HIS A 114 -27.679 4.695 -22.964 1.00 7.33 N ATOM 948 H HIS A 114 -24.467 2.894 -20.929 1.00 0.00 H ATOM 949 N VAL A 115 -21.083 5.164 -22.244 1.00 5.52 N ATOM 950 CA VAL A 115 -19.879 5.761 -21.681 1.00 5.87 C ATOM 951 C VAL A 115 -19.849 7.212 -22.133 1.00 6.27 C ATOM 952 O VAL A 115 -19.851 7.485 -23.338 1.00 6.21 O ATOM 953 CB VAL A 115 -18.597 5.037 -22.121 1.00 6.78 C ATOM 954 CG1 VAL A 115 -17.371 5.676 -21.463 1.00 8.38 C ATOM 955 CG2 VAL A 115 -18.675 3.554 -21.811 1.00 7.98 C ATOM 956 H VAL A 115 -21.235 5.228 -23.271 1.00 0.00 H ATOM 957 N LEU A 116 -19.847 8.136 -21.174 1.00 6.08 N ATOM 958 CA LEU A 116 -19.909 9.569 -21.436 1.00 6.37 C ATOM 959 C LEU A 116 -18.705 10.249 -20.803 1.00 5.99 C ATOM 960 O LEU A 116 -18.426 10.026 -19.621 1.00 6.95 O ATOM 961 CB LEU A 116 -21.172 10.178 -20.821 1.00 7.25 C ATOM 962 CG LEU A 116 -22.500 9.568 -21.270 1.00 8.21 C ATOM 963 CD1 LEU A 116 -23.044 8.605 -20.215 1.00 8.60 C ATOM 964 CD2 LEU A 116 -23.518 10.633 -21.612 1.00 9.23 C ATOM 965 H LEU A 116 -19.799 7.818 -20.185 1.00 0.00 H ATOM 966 N GLY A 117 -18.028 11.106 -21.560 1.00 6.22 N ATOM 967 CA GLY A 117 -16.917 11.831 -20.993 1.00 7.29 C ATOM 968 C GLY A 117 -16.557 13.036 -21.835 1.00 6.86 C ATOM 969 O GLY A 117 -17.268 13.399 -22.774 1.00 7.28 O ATOM 970 H GLY A 117 -18.297 11.253 -22.554 1.00 0.00 H ATOM 971 N GLY A 118 -15.431 13.659 -21.483 1.00 7.15 N ATOM 972 CA GLY A 118 -14.985 14.858 -22.158 1.00 7.55 C ATOM 973 C GLY A 118 -15.562 16.138 -21.600 1.00 7.74 C ATOM 974 O GLY A 118 -15.314 17.210 -22.163 1.00 8.99 O ATOM 975 H GLY A 118 -14.860 13.273 -20.704 1.00 0.00 H ATOM 976 N ARG A 119 -16.344 16.053 -20.529 1.00 7.40 N ATOM 977 CA ARG A 119 -16.827 17.207 -19.788 1.00 8.34 C ATOM 978 C ARG A 119 -17.065 16.749 -18.359 1.00 7.98 C ATOM 979 O ARG A 119 -17.103 15.548 -18.066 1.00 8.08 O ATOM 980 CB ARG A 119 -18.138 17.749 -20.366 1.00 8.85 C ATOM 981 CG ARG A 119 -19.333 16.801 -20.248 1.00 9.08 C ATOM 982 CD ARG A 119 -20.617 17.543 -20.578 1.00 9.63 C ATOM 983 NE ARG A 119 -21.810 16.697 -20.661 1.00 9.61 N ATOM 984 CZ ARG A 119 -22.598 16.385 -19.634 1.00 9.28 C ATOM 985 NH1 ARG A 119 -22.312 16.805 -18.405 1.00 9.13 N ATOM 986 NH2 ARG A 119 -23.677 15.637 -19.837 1.00 10.26 N ATOM 987 HE ARG A 119 -22.061 16.310 -21.593 1.00 0.00 H ATOM 988 HH12 ARG A 119 -22.936 16.554 -17.611 1.00 0.00 H ATOM 989 HH11 ARG A 119 -21.465 17.384 -18.237 1.00 0.00 H ATOM 990 HH22 ARG A 119 -24.296 15.390 -19.039 1.00 0.00 H ATOM 991 HH21 ARG A 119 -23.902 15.298 -20.794 1.00 0.00 H ATOM 992 H ARG A 119 -16.627 15.107 -20.202 1.00 0.00 H ATOM 993 N GLN A 120 -17.236 17.713 -17.466 1.00 8.30 N ATOM 994 CA GLN A 120 -17.633 17.389 -16.104 1.00 8.14 C ATOM 995 C GLN A 120 -19.052 16.839 -16.109 1.00 8.42 C ATOM 996 O GLN A 120 -19.978 17.492 -16.599 1.00 9.03 O ATOM 997 CB GLN A 120 -17.574 18.641 -15.234 1.00 8.63 C ATOM 998 CG GLN A 120 -18.018 18.394 -13.801 1.00 8.69 C ATOM 999 CD GLN A 120 -17.033 17.520 -13.059 1.00 8.95 C ATOM 1000 OE1 GLN A 120 -15.903 17.934 -12.808 1.00 10.36 O ATOM 1001 NE2 GLN A 120 -17.443 16.295 -12.725 1.00 8.48 N ATOM 1002 HE22 GLN A 120 -18.409 15.988 -12.958 1.00 0.00 H ATOM 1003 HE21 GLN A 120 -16.797 15.647 -12.231 1.00 0.00 H ATOM 1004 H GLN A 120 -17.086 18.705 -17.740 1.00 0.00 H ATOM 1005 N MET A 121 -19.220 15.634 -15.579 1.00 7.95 N ATOM 1006 CA MET A 121 -20.544 15.078 -15.358 1.00 7.89 C ATOM 1007 C MET A 121 -21.040 15.525 -13.988 1.00 7.71 C ATOM 1008 O MET A 121 -20.261 15.668 -13.045 1.00 8.14 O ATOM 1009 CB MET A 121 -20.507 13.551 -15.439 1.00 8.21 C ATOM 1010 CG MET A 121 -19.925 13.028 -16.757 1.00 8.96 C ATOM 1011 SD MET A 121 -20.851 13.492 -18.245 1.00 9.49 S ATOM 1012 CE MET A 121 -22.393 12.621 -17.965 1.00 10.33 C ATOM 1013 H MET A 121 -18.384 15.074 -15.316 1.00 0.00 H ATOM 1014 N HIS A 122 -22.345 15.743 -13.888 1.00 7.74 N ATOM 1015 CA HIS A 122 -22.954 16.331 -12.704 1.00 7.69 C ATOM 1016 C HIS A 122 -23.698 15.277 -11.895 1.00 7.19 C ATOM 1017 O HIS A 122 -23.980 14.172 -12.366 1.00 7.94 O ATOM 1018 CB HIS A 122 -23.923 17.439 -13.115 1.00 8.77 C ATOM 1019 CG HIS A 122 -23.283 18.506 -13.938 1.00 11.10 C ATOM 1020 ND1 HIS A 122 -23.868 19.026 -15.072 1.00 15.59 N ATOM 1021 CD2 HIS A 122 -22.096 19.143 -13.800 1.00 11.45 C ATOM 1022 CE1 HIS A 122 -23.074 19.946 -15.589 1.00 15.69 C ATOM 1023 NE2 HIS A 122 -21.995 20.042 -14.833 1.00 13.74 N ATOM 1024 H HIS A 122 -22.957 15.483 -14.688 1.00 0.00 H ATOM 1025 N TRP A 123 -24.057 15.662 -10.675 1.00 7.47 N ATOM 1026 CA TRP A 123 -24.814 14.799 -9.783 1.00 7.55 C ATOM 1027 C TRP A 123 -26.095 15.541 -9.418 1.00 8.24 C ATOM 1028 O TRP A 123 -26.058 16.743 -9.201 1.00 9.92 O ATOM 1029 CB TRP A 123 -23.979 14.501 -8.536 1.00 8.10 C ATOM 1030 CG TRP A 123 -24.322 13.221 -7.852 1.00 8.27 C ATOM 1031 CD1 TRP A 123 -24.826 13.061 -6.593 1.00 9.08 C ATOM 1032 CD2 TRP A 123 -24.187 11.909 -8.397 1.00 7.40 C ATOM 1033 NE1 TRP A 123 -24.995 11.723 -6.314 1.00 8.88 N ATOM 1034 CE2 TRP A 123 -24.616 10.995 -7.411 1.00 8.40 C ATOM 1035 CE3 TRP A 123 -23.730 11.415 -9.622 1.00 7.94 C ATOM 1036 CZ2 TRP A 123 -24.609 9.617 -7.619 1.00 8.79 C ATOM 1037 CZ3 TRP A 123 -23.727 10.047 -9.824 1.00 7.68 C ATOM 1038 CH2 TRP A 123 -24.164 9.167 -8.827 1.00 7.90 C ATOM 1039 HE1 TRP A 123 -25.351 11.330 -5.419 1.00 0.00 H ATOM 1040 H TRP A 123 -23.788 16.612 -10.348 1.00 0.00 H ATOM 1041 N PRO A 124 -27.243 14.852 -9.372 1.00 8.37 N ATOM 1042 CA PRO A 124 -27.476 13.430 -9.627 1.00 8.20 C ATOM 1043 C PRO A 124 -27.341 13.084 -11.108 1.00 7.25 C ATOM 1044 O PRO A 124 -27.368 13.968 -11.965 1.00 7.91 O ATOM 1045 CB PRO A 124 -28.925 13.242 -9.170 1.00 9.66 C ATOM 1046 CG PRO A 124 -29.554 14.555 -9.446 1.00 10.86 C ATOM 1047 CD PRO A 124 -28.501 15.564 -9.086 1.00 9.88 C ATOM 1048 N PRO A 125 -27.203 11.784 -11.407 1.00 7.29 N ATOM 1049 CA PRO A 125 -27.014 11.339 -12.800 1.00 7.93 C ATOM 1050 C PRO A 125 -28.348 11.220 -13.530 1.00 7.60 C ATOM 1051 O PRO A 125 -28.778 10.136 -13.954 1.00 8.24 O ATOM 1052 CB PRO A 125 -26.324 9.984 -12.609 1.00 8.24 C ATOM 1053 CG PRO A 125 -26.983 9.446 -11.354 1.00 8.53 C ATOM 1054 CD PRO A 125 -27.171 10.651 -10.458 1.00 8.09 C ATOM 1055 N GLY A 126 -29.018 12.356 -13.682 1.00 8.68 N ATOM 1056 CA GLY A 126 -30.390 12.380 -14.137 1.00 9.13 C ATOM 1057 C GLY A 126 -31.376 12.266 -12.994 1.00 9.47 C ATOM 1058 O GLY A 126 -32.555 12.012 -13.236 1.00 10.49 O ATOM 1059 OXT GLY A 126 -31.012 12.427 -11.824 1.00 11.85 O ATOM 1060 H GLY A 126 -28.542 13.255 -13.467 1.00 0.00 H TER 1061 GLY A 126 ATOM 1062 N GLY B 15 -5.294 3.242 -0.949 1.00 27.15 N ATOM 1063 CA GLY B 15 -5.598 3.444 0.455 1.00 25.50 C ATOM 1064 C GLY B 15 -7.027 3.082 0.818 1.00 23.47 C ATOM 1065 O GLY B 15 -7.901 3.046 -0.047 1.00 23.91 O ATOM 1066 HN3 GLY B 15 -5.924 3.833 -1.527 1.00 0.00 H ATOM 1067 HN2 GLY B 15 -5.436 2.241 -1.193 1.00 0.00 H ATOM 1068 HN1 GLY B 15 -4.305 3.507 -1.130 1.00 0.00 H ATOM 1069 N ASP B 16 -7.259 2.826 2.105 1.00 20.74 N ATOM 1070 CA ASP B 16 -8.583 2.445 2.577 1.00 18.59 C ATOM 1071 C ASP B 16 -9.582 3.566 2.317 1.00 14.68 C ATOM 1072 O ASP B 16 -9.221 4.744 2.214 1.00 15.02 O ATOM 1073 CB ASP B 16 -8.528 2.142 4.078 1.00 19.69 C ATOM 1074 CG ASP B 16 -9.783 1.446 4.595 1.00 20.25 C ATOM 1075 OD1 ASP B 16 -10.327 0.562 3.896 1.00 19.99 O ATOM 1076 OD2 ASP B 16 -10.220 1.772 5.721 1.00 21.12 O ATOM 1077 H ASP B 16 -6.478 2.900 2.787 1.00 0.00 H ATOM 1078 N THR B 17 -10.851 3.190 2.193 1.00 11.07 N ATOM 1079 CA THR B 17 -11.927 4.159 2.052 1.00 9.17 C ATOM 1080 C THR B 17 -13.038 3.824 3.032 1.00 8.41 C ATOM 1081 O THR B 17 -13.054 2.765 3.670 1.00 8.74 O ATOM 1082 CB THR B 17 -12.538 4.181 0.639 1.00 9.22 C ATOM 1083 OG1 THR B 17 -13.362 3.022 0.445 1.00 9.94 O ATOM 1084 CG2 THR B 17 -11.465 4.260 -0.442 1.00 10.07 C ATOM 1085 HG1 THR B 17 -12.812 2.206 0.551 1.00 0.00 H ATOM 1086 H THR B 17 -11.081 2.176 2.197 1.00 0.00 H ATOM 1087 N ILE B 18 -14.012 4.729 3.090 1.00 7.70 N ATOM 1088 CA ILE B 18 -15.175 4.516 3.936 1.00 8.01 C ATOM 1089 C ILE B 18 -15.941 3.268 3.515 1.00 7.51 C ATOM 1090 O ILE B 18 -16.584 2.624 4.350 1.00 7.97 O ATOM 1091 CB ILE B 18 -16.047 5.787 3.952 1.00 8.93 C ATOM 1092 CG1 ILE B 18 -17.083 5.710 5.072 1.00 9.85 C ATOM 1093 CG2 ILE B 18 -16.685 6.032 2.587 1.00 9.50 C ATOM 1094 CD1 ILE B 18 -17.624 7.061 5.468 1.00 10.50 C ATOM 1095 H ILE B 18 -13.940 5.598 2.524 1.00 0.00 H ATOM 1096 N PHE B 19 -15.880 2.892 2.232 1.00 7.37 N ATOM 1097 CA PHE B 19 -16.533 1.652 1.813 1.00 7.38 C ATOM 1098 C PHE B 19 -15.825 0.423 2.373 1.00 7.53 C ATOM 1099 O PHE B 19 -16.479 -0.586 2.660 1.00 7.54 O ATOM 1100 CB PHE B 19 -16.655 1.585 0.290 1.00 7.85 C ATOM 1101 CG PHE B 19 -17.646 2.569 -0.295 1.00 7.71 C ATOM 1102 CD1 PHE B 19 -18.476 3.329 0.522 1.00 7.87 C ATOM 1103 CD2 PHE B 19 -17.741 2.726 -1.667 1.00 8.26 C ATOM 1104 CE1 PHE B 19 -19.386 4.238 -0.029 1.00 7.76 C ATOM 1105 CE2 PHE B 19 -18.646 3.625 -2.221 1.00 8.79 C ATOM 1106 CZ PHE B 19 -19.459 4.390 -1.403 1.00 8.29 C ATOM 1107 H PHE B 19 -15.372 3.477 1.538 1.00 0.00 H ATOM 1108 N GLY B 20 -14.501 0.489 2.541 1.00 8.18 N ATOM 1109 CA GLY B 20 -13.806 -0.563 3.266 1.00 9.02 C ATOM 1110 C GLY B 20 -14.300 -0.694 4.693 1.00 8.09 C ATOM 1111 O GLY B 20 -14.515 -1.803 5.190 1.00 9.14 O ATOM 1112 H GLY B 20 -13.967 1.293 2.153 1.00 0.00 H ATOM 1113 N LYS B 21 -14.516 0.440 5.362 1.00 8.09 N ATOM 1114 CA LYS B 21 -15.040 0.407 6.723 1.00 8.54 C ATOM 1115 C LYS B 21 -16.430 -0.212 6.766 1.00 7.78 C ATOM 1116 O LYS B 21 -16.766 -0.944 7.704 1.00 8.55 O ATOM 1117 CB LYS B 21 -15.072 1.813 7.315 1.00 9.40 C ATOM 1118 CG LYS B 21 -13.704 2.408 7.589 1.00 11.93 C ATOM 1119 CD LYS B 21 -13.831 3.847 8.059 1.00 14.11 C ATOM 1120 CE LYS B 21 -12.519 4.407 8.569 1.00 17.13 C ATOM 1121 NZ LYS B 21 -12.164 3.848 9.902 1.00 19.48 N ATOM 1122 HZ1 LYS B 21 -12.910 4.086 10.586 1.00 0.00 H ATOM 1123 HZ2 LYS B 21 -12.074 2.814 9.830 1.00 0.00 H ATOM 1124 HZ3 LYS B 21 -11.260 4.255 10.218 1.00 0.00 H ATOM 1125 H LYS B 21 -14.309 1.354 4.910 1.00 0.00 H ATOM 1126 N ILE B 22 -17.254 0.081 5.766 1.00 7.29 N ATOM 1127 CA ILE B 22 -18.587 -0.506 5.702 1.00 7.08 C ATOM 1128 C ILE B 22 -18.509 -2.022 5.511 1.00 6.74 C ATOM 1129 O ILE B 22 -19.199 -2.785 6.199 1.00 7.31 O ATOM 1130 CB ILE B 22 -19.422 0.196 4.618 1.00 7.50 C ATOM 1131 CG1 ILE B 22 -19.753 1.625 5.073 1.00 7.91 C ATOM 1132 CG2 ILE B 22 -20.683 -0.588 4.326 1.00 8.19 C ATOM 1133 CD1 ILE B 22 -20.435 2.488 4.013 1.00 9.01 C ATOM 1134 H ILE B 22 -16.945 0.737 5.020 1.00 0.00 H ATOM 1135 N ILE B 23 -17.656 -2.483 4.592 1.00 7.14 N ATOM 1136 CA ILE B 23 -17.479 -3.924 4.392 1.00 7.25 C ATOM 1137 C ILE B 23 -17.043 -4.602 5.684 1.00 7.29 C ATOM 1138 O ILE B 23 -17.495 -5.715 6.009 1.00 8.11 O ATOM 1139 CB ILE B 23 -16.464 -4.182 3.267 1.00 8.33 C ATOM 1140 CG1 ILE B 23 -17.046 -3.800 1.911 1.00 8.65 C ATOM 1141 CG2 ILE B 23 -16.020 -5.635 3.274 1.00 9.61 C ATOM 1142 CD1 ILE B 23 -15.999 -3.601 0.854 1.00 9.55 C ATOM 1143 H ILE B 23 -17.112 -1.812 4.012 1.00 0.00 H ATOM 1144 N ARG B 24 -16.124 -3.971 6.413 1.00 7.29 N ATOM 1145 CA ARG B 24 -15.579 -4.527 7.645 1.00 7.65 C ATOM 1146 C ARG B 24 -16.524 -4.390 8.828 1.00 7.56 C ATOM 1147 O ARG B 24 -16.207 -4.892 9.918 1.00 8.34 O ATOM 1148 CB ARG B 24 -14.212 -3.908 7.947 1.00 8.42 C ATOM 1149 CG ARG B 24 -13.174 -4.246 6.895 1.00 9.40 C ATOM 1150 CD ARG B 24 -11.767 -3.898 7.332 1.00 10.07 C ATOM 1151 NE ARG B 24 -11.645 -2.487 7.679 1.00 11.03 N ATOM 1152 CZ ARG B 24 -11.351 -1.520 6.820 1.00 12.57 C ATOM 1153 NH1 ARG B 24 -11.133 -1.802 5.545 1.00 13.00 N ATOM 1154 NH2 ARG B 24 -11.270 -0.270 7.248 1.00 12.68 N ATOM 1155 HE ARG B 24 -11.800 -2.219 8.672 1.00 0.00 H ATOM 1156 HH12 ARG B 24 -10.903 -1.040 4.876 1.00 0.00 H ATOM 1157 HH11 ARG B 24 -11.192 -2.786 5.213 1.00 0.00 H ATOM 1158 HH22 ARG B 24 -11.040 0.494 6.581 1.00 0.00 H ATOM 1159 HH21 ARG B 24 -11.436 -0.052 8.251 1.00 0.00 H ATOM 1160 H ARG B 24 -15.781 -3.044 6.090 1.00 0.00 H ATOM 1161 N LYS B 25 -17.686 -3.762 8.620 1.00 7.53 N ATOM 1162 CA LYS B 25 -18.711 -3.555 9.638 1.00 8.02 C ATOM 1163 C LYS B 25 -18.248 -2.609 10.740 1.00 8.33 C ATOM 1164 O LYS B 25 -18.795 -2.616 11.846 1.00 9.60 O ATOM 1165 CB LYS B 25 -19.273 -4.873 10.193 1.00 8.41 C ATOM 1166 CG LYS B 25 -19.599 -5.901 9.104 1.00 8.86 C ATOM 1167 CD LYS B 25 -20.674 -5.399 8.157 1.00 9.40 C ATOM 1168 CE LYS B 25 -20.834 -6.280 6.927 1.00 10.46 C ATOM 1169 NZ LYS B 25 -21.151 -7.687 7.264 1.00 11.66 N ATOM 1170 HZ1 LYS B 25 -20.384 -8.085 7.842 1.00 0.00 H ATOM 1171 HZ2 LYS B 25 -22.043 -7.722 7.798 1.00 0.00 H ATOM 1172 HZ3 LYS B 25 -21.248 -8.239 6.388 1.00 0.00 H ATOM 1173 H LYS B 25 -17.873 -3.395 7.665 1.00 0.00 H ATOM 1174 N GLU B 26 -17.249 -1.779 10.444 1.00 8.58 N ATOM 1175 CA GLU B 26 -16.728 -0.841 11.431 1.00 9.57 C ATOM 1176 C GLU B 26 -17.628 0.370 11.608 1.00 9.74 C ATOM 1177 O GLU B 26 -17.608 1.008 12.669 1.00 11.56 O ATOM 1178 CB GLU B 26 -15.327 -0.389 11.035 1.00 9.85 C ATOM 1179 CG GLU B 26 -14.296 -1.488 11.132 1.00 10.72 C ATOM 1180 CD GLU B 26 -12.972 -1.119 10.497 1.00 12.22 C ATOM 1181 OE1 GLU B 26 -12.827 0.024 10.017 1.00 14.40 O ATOM 1182 OE2 GLU B 26 -12.072 -1.983 10.476 1.00 12.74 O ATOM 1183 H GLU B 26 -16.833 -1.801 9.491 1.00 0.00 H ATOM 1184 N ILE B 27 -18.396 0.717 10.583 1.00 9.57 N ATOM 1185 CA ILE B 27 -19.402 1.763 10.721 1.00 10.69 C ATOM 1186 C ILE B 27 -20.696 1.217 10.137 1.00 10.69 C ATOM 1187 O ILE B 27 -20.663 0.308 9.292 1.00 11.32 O ATOM 1188 CB ILE B 27 -18.969 3.066 10.034 1.00 11.06 C ATOM 1189 CG1 ILE B 27 -18.841 2.862 8.529 1.00 10.73 C ATOM 1190 CG2 ILE B 27 -17.665 3.595 10.625 1.00 12.48 C ATOM 1191 CD1 ILE B 27 -18.719 4.150 7.771 1.00 11.26 C ATOM 1192 H ILE B 27 -18.279 0.236 9.668 1.00 0.00 H ATOM 1193 N PRO B 28 -21.847 1.721 10.556 1.00 11.37 N ATOM 1194 CA PRO B 28 -23.107 1.145 10.091 1.00 11.01 C ATOM 1195 C PRO B 28 -23.475 1.595 8.688 1.00 10.08 C ATOM 1196 O PRO B 28 -23.081 2.663 8.208 1.00 10.72 O ATOM 1197 CB PRO B 28 -24.127 1.665 11.111 1.00 13.14 C ATOM 1198 CG PRO B 28 -23.531 2.919 11.629 1.00 14.05 C ATOM 1199 CD PRO B 28 -22.049 2.683 11.653 1.00 13.02 C ATOM 1200 N ALA B 29 -24.251 0.736 8.038 1.00 9.92 N ATOM 1201 CA ALA B 29 -24.905 1.022 6.775 1.00 10.22 C ATOM 1202 C ALA B 29 -26.158 0.164 6.738 1.00 9.79 C ATOM 1203 O ALA B 29 -26.253 -0.842 7.447 1.00 10.80 O ATOM 1204 CB ALA B 29 -23.996 0.691 5.588 1.00 11.26 C ATOM 1205 H ALA B 29 -24.400 -0.202 8.461 1.00 0.00 H ATOM 1206 N LYS B 30 -27.129 0.572 5.920 1.00 9.85 N ATOM 1207 CA LYS B 30 -28.377 -0.179 5.771 1.00 10.59 C ATOM 1208 C LYS B 30 -28.146 -1.200 4.667 1.00 9.27 C ATOM 1209 O LYS B 30 -28.288 -0.908 3.476 1.00 9.03 O ATOM 1210 CB LYS B 30 -29.540 0.755 5.456 1.00 13.27 C ATOM 1211 CG LYS B 30 -29.765 1.852 6.483 1.00 17.88 C ATOM 1212 CD LYS B 30 -30.938 2.745 6.086 1.00 22.00 C ATOM 1213 CE LYS B 30 -30.515 3.775 5.044 1.00 24.24 C ATOM 1214 NZ LYS B 30 -31.637 4.218 4.161 1.00 25.48 N ATOM 1215 HZ1 LYS B 30 -32.021 3.396 3.652 1.00 0.00 H ATOM 1216 HZ2 LYS B 30 -32.385 4.648 4.742 1.00 0.00 H ATOM 1217 HZ3 LYS B 30 -31.283 4.917 3.477 1.00 0.00 H ATOM 1218 H LYS B 30 -26.996 1.447 5.373 1.00 0.00 H ATOM 1219 N ILE B 31 -27.777 -2.408 5.075 1.00 9.45 N ATOM 1220 CA ILE B 31 -27.348 -3.436 4.139 1.00 9.29 C ATOM 1221 C ILE B 31 -28.571 -4.102 3.529 1.00 9.40 C ATOM 1222 O ILE B 31 -29.517 -4.474 4.235 1.00 11.23 O ATOM 1223 CB ILE B 31 -26.439 -4.458 4.837 1.00 10.21 C ATOM 1224 CG1 ILE B 31 -25.153 -3.773 5.311 1.00 12.15 C ATOM 1225 CG2 ILE B 31 -26.131 -5.611 3.901 1.00 10.04 C ATOM 1226 CD1 ILE B 31 -24.268 -4.642 6.186 1.00 13.18 C ATOM 1227 H ILE B 31 -27.795 -2.626 6.092 1.00 0.00 H ATOM 1228 N ILE B 32 -28.543 -4.258 2.210 1.00 8.15 N ATOM 1229 CA ILE B 32 -29.604 -4.904 1.455 1.00 8.80 C ATOM 1230 C ILE B 32 -29.276 -6.360 1.167 1.00 8.55 C ATOM 1231 O ILE B 32 -30.152 -7.220 1.230 1.00 10.10 O ATOM 1232 CB ILE B 32 -29.818 -4.131 0.136 1.00 9.19 C ATOM 1233 CG1 ILE B 32 -30.251 -2.690 0.406 1.00 9.13 C ATOM 1234 CG2 ILE B 32 -30.805 -4.859 -0.782 1.00 10.66 C ATOM 1235 CD1 ILE B 32 -29.949 -1.785 -0.747 1.00 9.45 C ATOM 1236 H ILE B 32 -27.717 -3.899 1.690 1.00 0.00 H ATOM 1237 N PHE B 33 -28.019 -6.632 0.833 1.00 8.06 N ATOM 1238 CA PHE B 33 -27.599 -7.960 0.423 1.00 8.22 C ATOM 1239 C PHE B 33 -26.098 -8.073 0.635 1.00 7.49 C ATOM 1240 O PHE B 33 -25.365 -7.087 0.500 1.00 7.89 O ATOM 1241 CB PHE B 33 -27.937 -8.211 -1.052 1.00 9.24 C ATOM 1242 CG PHE B 33 -27.479 -9.548 -1.538 1.00 9.51 C ATOM 1243 CD1 PHE B 33 -26.315 -9.673 -2.279 1.00 10.27 C ATOM 1244 CD2 PHE B 33 -28.172 -10.695 -1.187 1.00 10.58 C ATOM 1245 CE1 PHE B 33 -25.873 -10.925 -2.693 1.00 10.99 C ATOM 1246 CE2 PHE B 33 -27.734 -11.942 -1.600 1.00 11.69 C ATOM 1247 CZ PHE B 33 -26.589 -12.053 -2.347 1.00 11.38 C ATOM 1248 H PHE B 33 -27.313 -5.869 0.866 1.00 0.00 H ATOM 1249 N GLU B 34 -25.646 -9.289 0.937 1.00 7.74 N ATOM 1250 CA GLU B 34 -24.225 -9.556 1.064 1.00 7.49 C ATOM 1251 C GLU B 34 -23.964 -10.969 0.565 1.00 6.84 C ATOM 1252 O GLU B 34 -24.798 -11.863 0.735 1.00 7.08 O ATOM 1253 CB GLU B 34 -23.755 -9.415 2.523 1.00 8.09 C ATOM 1254 CG GLU B 34 -22.252 -9.489 2.693 1.00 8.27 C ATOM 1255 CD GLU B 34 -21.753 -9.023 4.050 1.00 9.45 C ATOM 1256 OE1 GLU B 34 -22.571 -8.654 4.923 1.00 10.46 O ATOM 1257 OE2 GLU B 34 -20.517 -9.025 4.226 1.00 10.64 O ATOM 1258 H GLU B 34 -26.325 -10.063 1.085 1.00 0.00 H ATOM 1259 N ASP B 35 -22.803 -11.169 -0.048 1.00 7.52 N ATOM 1260 CA ASP B 35 -22.303 -12.522 -0.278 1.00 7.34 C ATOM 1261 C ASP B 35 -20.809 -12.536 0.031 1.00 7.30 C ATOM 1262 O ASP B 35 -20.294 -11.657 0.731 1.00 8.11 O ATOM 1263 CB ASP B 35 -22.759 -13.097 -1.629 1.00 7.36 C ATOM 1264 CG ASP B 35 -22.176 -12.373 -2.826 1.00 7.47 C ATOM 1265 OD1 ASP B 35 -21.148 -11.673 -2.697 1.00 7.36 O ATOM 1266 OD2 ASP B 35 -22.762 -12.542 -3.915 1.00 8.11 O ATOM 1267 H ASP B 35 -22.243 -10.353 -0.368 1.00 0.00 H ATOM 1268 N ASP B 36 -20.099 -13.554 -0.470 1.00 7.25 N ATOM 1269 CA ASP B 36 -18.673 -13.659 -0.189 1.00 7.59 C ATOM 1270 C ASP B 36 -17.834 -12.653 -0.964 1.00 7.86 C ATOM 1271 O ASP B 36 -16.648 -12.499 -0.651 1.00 9.17 O ATOM 1272 CB ASP B 36 -18.168 -15.086 -0.451 1.00 8.02 C ATOM 1273 CG ASP B 36 -18.308 -15.515 -1.910 1.00 8.14 C ATOM 1274 OD1 ASP B 36 -19.083 -14.873 -2.654 1.00 8.31 O ATOM 1275 OD2 ASP B 36 -17.647 -16.509 -2.308 1.00 8.96 O ATOM 1276 H ASP B 36 -20.566 -14.271 -1.061 1.00 0.00 H ATOM 1277 N ARG B 37 -18.411 -11.956 -1.946 1.00 7.10 N ATOM 1278 CA ARG B 37 -17.611 -11.143 -2.850 1.00 7.29 C ATOM 1279 C ARG B 37 -18.169 -9.751 -3.110 1.00 6.93 C ATOM 1280 O ARG B 37 -17.528 -8.974 -3.828 1.00 7.32 O ATOM 1281 CB ARG B 37 -17.369 -11.883 -4.178 1.00 7.58 C ATOM 1282 CG ARG B 37 -18.622 -12.169 -4.982 1.00 8.31 C ATOM 1283 CD ARG B 37 -18.360 -13.269 -5.993 1.00 8.99 C ATOM 1284 NE ARG B 37 -18.123 -14.542 -5.313 1.00 9.28 N ATOM 1285 CZ ARG B 37 -17.669 -15.640 -5.908 1.00 9.34 C ATOM 1286 NH1 ARG B 37 -17.374 -15.614 -7.202 1.00 10.78 N ATOM 1287 NH2 ARG B 37 -17.493 -16.752 -5.203 1.00 9.59 N ATOM 1288 HE ARG B 37 -18.324 -14.591 -4.294 1.00 0.00 H ATOM 1289 HH12 ARG B 37 -17.018 -16.471 -7.672 1.00 0.00 H ATOM 1290 HH11 ARG B 37 -17.498 -14.737 -7.746 1.00 0.00 H ATOM 1291 HH22 ARG B 37 -17.138 -17.612 -5.668 1.00 0.00 H ATOM 1292 HH21 ARG B 37 -17.710 -16.763 -4.186 1.00 0.00 H ATOM 1293 H ARG B 37 -19.443 -11.995 -2.066 1.00 0.00 H ATOM 1294 N CYS B 38 -19.320 -9.404 -2.542 1.00 6.51 N ATOM 1295 CA CYS B 38 -19.878 -8.075 -2.756 1.00 6.72 C ATOM 1296 C CYS B 38 -20.831 -7.733 -1.619 1.00 6.45 C ATOM 1297 O CYS B 38 -21.196 -8.582 -0.797 1.00 6.90 O ATOM 1298 CB CYS B 38 -20.565 -7.958 -4.124 1.00 7.99 C ATOM 1299 SG CYS B 38 -22.164 -8.792 -4.243 1.00 8.44 S ATOM 1300 H CYS B 38 -19.825 -10.086 -1.941 1.00 0.00 H ATOM 1301 N LEU B 39 -21.227 -6.459 -1.596 1.00 6.82 N ATOM 1302 CA LEU B 39 -22.111 -5.916 -0.577 1.00 6.88 C ATOM 1303 C LEU B 39 -22.986 -4.862 -1.242 1.00 6.45 C ATOM 1304 O LEU B 39 -22.482 -4.027 -1.999 1.00 7.32 O ATOM 1305 CB LEU B 39 -21.280 -5.256 0.528 1.00 8.01 C ATOM 1306 CG LEU B 39 -22.059 -4.733 1.729 1.00 8.33 C ATOM 1307 CD1 LEU B 39 -22.616 -5.875 2.546 1.00 8.94 C ATOM 1308 CD2 LEU B 39 -21.177 -3.846 2.582 1.00 9.62 C ATOM 1309 H LEU B 39 -20.886 -5.822 -2.344 1.00 0.00 H ATOM 1310 N ALA B 40 -24.286 -4.904 -0.969 1.00 6.90 N ATOM 1311 CA ALA B 40 -25.225 -3.900 -1.455 1.00 7.02 C ATOM 1312 C ALA B 40 -25.840 -3.195 -0.257 1.00 6.84 C ATOM 1313 O ALA B 40 -26.250 -3.853 0.705 1.00 7.51 O ATOM 1314 CB ALA B 40 -26.331 -4.538 -2.302 1.00 7.62 C ATOM 1315 H ALA B 40 -24.648 -5.685 -0.385 1.00 0.00 H ATOM 1316 N PHE B 41 -25.906 -1.866 -0.319 1.00 6.92 N ATOM 1317 CA PHE B 41 -26.374 -1.079 0.813 1.00 6.97 C ATOM 1318 C PHE B 41 -26.924 0.249 0.310 1.00 6.89 C ATOM 1319 O PHE B 41 -26.498 0.762 -0.729 1.00 6.80 O ATOM 1320 CB PHE B 41 -25.267 -0.870 1.859 1.00 7.39 C ATOM 1321 CG PHE B 41 -24.019 -0.227 1.322 1.00 7.36 C ATOM 1322 CD1 PHE B 41 -23.821 1.134 1.453 1.00 7.54 C ATOM 1323 CD2 PHE B 41 -23.037 -0.978 0.698 1.00 8.42 C ATOM 1324 CE1 PHE B 41 -22.675 1.739 0.965 1.00 7.72 C ATOM 1325 CE2 PHE B 41 -21.884 -0.381 0.204 1.00 8.88 C ATOM 1326 CZ PHE B 41 -21.701 0.983 0.343 1.00 8.17 C ATOM 1327 H PHE B 41 -25.618 -1.381 -1.193 1.00 0.00 H ATOM 1328 N HIS B 42 -27.864 0.807 1.062 1.00 7.19 N ATOM 1329 CA HIS B 42 -28.470 2.067 0.659 1.00 7.48 C ATOM 1330 C HIS B 42 -27.455 3.204 0.743 1.00 7.20 C ATOM 1331 O HIS B 42 -26.654 3.272 1.676 1.00 8.19 O ATOM 1332 CB HIS B 42 -29.668 2.375 1.553 1.00 8.18 C ATOM 1333 CG HIS B 42 -30.820 1.448 1.339 1.00 8.46 C ATOM 1334 ND1 HIS B 42 -31.706 1.596 0.294 1.00 9.77 N ATOM 1335 CD2 HIS B 42 -31.217 0.346 2.020 1.00 9.11 C ATOM 1336 CE1 HIS B 42 -32.609 0.633 0.350 1.00 9.96 C ATOM 1337 NE2 HIS B 42 -32.335 -0.138 1.388 1.00 10.24 N ATOM 1338 H HIS B 42 -28.168 0.343 1.941 1.00 0.00 H ATOM 1339 N ASP B 43 -27.495 4.101 -0.245 1.00 7.42 N ATOM 1340 CA ASP B 43 -26.601 5.252 -0.263 1.00 8.11 C ATOM 1341 C ASP B 43 -26.993 6.223 0.842 1.00 8.01 C ATOM 1342 O ASP B 43 -28.176 6.510 1.048 1.00 10.16 O ATOM 1343 CB ASP B 43 -26.710 5.965 -1.615 1.00 9.27 C ATOM 1344 CG ASP B 43 -25.528 6.870 -1.908 1.00 11.26 C ATOM 1345 OD1 ASP B 43 -25.436 7.970 -1.328 1.00 10.53 O ATOM 1346 OD2 ASP B 43 -24.709 6.500 -2.782 1.00 15.14 O ATOM 1347 H ASP B 43 -28.179 3.976 -1.018 1.00 0.00 H ATOM 1348 N ILE B 44 -25.991 6.747 1.548 1.00 7.83 N ATOM 1349 CA ILE B 44 -26.275 7.666 2.645 1.00 9.31 C ATOM 1350 C ILE B 44 -26.789 9.017 2.158 1.00 9.86 C ATOM 1351 O ILE B 44 -27.414 9.749 2.933 1.00 11.18 O ATOM 1352 CB ILE B 44 -25.038 7.803 3.547 1.00 10.80 C ATOM 1353 CG1 ILE B 44 -25.418 8.439 4.888 1.00 12.92 C ATOM 1354 CG2 ILE B 44 -23.958 8.595 2.833 1.00 11.71 C ATOM 1355 CD1 ILE B 44 -24.354 8.341 5.933 1.00 13.92 C ATOM 1356 H ILE B 44 -25.007 6.501 1.317 1.00 0.00 H ATOM 1357 N SER B 45 -26.546 9.365 0.891 1.00 10.05 N ATOM 1358 CA SER B 45 -26.992 10.622 0.289 1.00 11.40 C ATOM 1359 C SER B 45 -27.855 10.285 -0.923 1.00 10.57 C ATOM 1360 O SER B 45 -27.430 10.465 -2.071 1.00 11.67 O ATOM 1361 CB SER B 45 -25.788 11.469 -0.125 1.00 13.29 C ATOM 1362 OG SER B 45 -26.173 12.672 -0.776 1.00 15.50 O ATOM 1363 HG SER B 45 -26.733 13.212 -0.164 1.00 0.00 H ATOM 1364 H SER B 45 -26.007 8.703 0.297 1.00 0.00 H ATOM 1365 N PRO B 46 -29.070 9.783 -0.710 1.00 9.84 N ATOM 1366 CA PRO B 46 -29.832 9.238 -1.842 1.00 9.96 C ATOM 1367 C PRO B 46 -30.317 10.323 -2.789 1.00 9.47 C ATOM 1368 O PRO B 46 -30.791 11.382 -2.370 1.00 11.26 O ATOM 1369 CB PRO B 46 -31.007 8.516 -1.174 1.00 11.31 C ATOM 1370 CG PRO B 46 -31.155 9.202 0.148 1.00 11.79 C ATOM 1371 CD PRO B 46 -29.766 9.580 0.572 1.00 11.44 C ATOM 1372 N GLN B 47 -30.217 10.025 -4.081 1.00 9.32 N ATOM 1373 CA GLN B 47 -30.607 10.930 -5.150 1.00 9.67 C ATOM 1374 C GLN B 47 -31.907 10.516 -5.813 1.00 9.35 C ATOM 1375 O GLN B 47 -32.314 11.135 -6.801 1.00 10.84 O ATOM 1376 CB GLN B 47 -29.503 10.989 -6.208 1.00 11.57 C ATOM 1377 CG GLN B 47 -28.175 11.403 -5.647 1.00 12.55 C ATOM 1378 CD GLN B 47 -28.239 12.785 -5.064 1.00 13.30 C ATOM 1379 OE1 GLN B 47 -28.594 13.741 -5.754 1.00 14.64 O ATOM 1380 NE2 GLN B 47 -27.910 12.906 -3.783 1.00 13.72 N ATOM 1381 HE22 GLN B 47 -27.616 12.069 -3.240 1.00 0.00 H ATOM 1382 HE21 GLN B 47 -27.946 13.838 -3.323 1.00 0.00 H ATOM 1383 H GLN B 47 -29.838 9.092 -4.342 1.00 0.00 H ATOM 1384 N ALA B 48 -32.547 9.472 -5.309 1.00 9.01 N ATOM 1385 CA ALA B 48 -33.824 8.990 -5.803 1.00 9.71 C ATOM 1386 C ALA B 48 -34.503 8.290 -4.642 1.00 9.92 C ATOM 1387 O ALA B 48 -33.848 7.978 -3.639 1.00 10.40 O ATOM 1388 CB ALA B 48 -33.628 8.022 -6.979 1.00 9.78 C ATOM 1389 H ALA B 48 -32.109 8.968 -4.512 1.00 0.00 H ATOM 1390 N PRO B 49 -35.815 8.046 -4.727 1.00 10.25 N ATOM 1391 CA PRO B 49 -36.494 7.370 -3.608 1.00 10.74 C ATOM 1392 C PRO B 49 -35.860 6.040 -3.235 1.00 10.41 C ATOM 1393 O PRO B 49 -35.839 5.679 -2.048 1.00 11.65 O ATOM 1394 CB PRO B 49 -37.937 7.234 -4.109 1.00 11.92 C ATOM 1395 CG PRO B 49 -38.105 8.420 -5.020 1.00 12.06 C ATOM 1396 CD PRO B 49 -36.777 8.536 -5.734 1.00 10.82 C ATOM 1397 N THR B 50 -35.327 5.309 -4.210 1.00 9.17 N ATOM 1398 CA THR B 50 -34.444 4.179 -3.960 1.00 9.24 C ATOM 1399 C THR B 50 -33.109 4.490 -4.615 1.00 7.83 C ATOM 1400 O THR B 50 -33.055 4.799 -5.812 1.00 8.31 O ATOM 1401 CB THR B 50 -35.022 2.877 -4.515 1.00 10.22 C ATOM 1402 OG1 THR B 50 -36.255 2.582 -3.848 1.00 11.77 O ATOM 1403 CG2 THR B 50 -34.042 1.735 -4.291 1.00 10.80 C ATOM 1404 HG1 THR B 50 -36.896 3.321 -4.000 1.00 0.00 H ATOM 1405 H THR B 50 -35.551 5.556 -5.195 1.00 0.00 H ATOM 1406 N HIS B 51 -32.043 4.436 -3.824 1.00 7.43 N ATOM 1407 CA HIS B 51 -30.695 4.682 -4.321 1.00 7.51 C ATOM 1408 C HIS B 51 -29.755 3.850 -3.467 1.00 6.82 C ATOM 1409 O HIS B 51 -29.551 4.148 -2.286 1.00 7.33 O ATOM 1410 CB HIS B 51 -30.351 6.169 -4.256 1.00 7.82 C ATOM 1411 CG HIS B 51 -28.978 6.502 -4.753 1.00 7.36 C ATOM 1412 ND1 HIS B 51 -28.467 7.783 -4.707 1.00 7.75 N ATOM 1413 CD2 HIS B 51 -28.012 5.729 -5.306 1.00 7.86 C ATOM 1414 CE1 HIS B 51 -27.245 7.780 -5.207 1.00 8.12 C ATOM 1415 NE2 HIS B 51 -26.942 6.547 -5.576 1.00 7.92 N ATOM 1416 H HIS B 51 -32.175 4.211 -2.817 1.00 0.00 H ATOM 1417 N PHE B 52 -29.207 2.796 -4.056 1.00 6.70 N ATOM 1418 CA PHE B 52 -28.299 1.912 -3.352 1.00 6.47 C ATOM 1419 C PHE B 52 -27.049 1.680 -4.180 1.00 6.41 C ATOM 1420 O PHE B 52 -26.980 2.029 -5.362 1.00 6.93 O ATOM 1421 CB PHE B 52 -28.974 0.606 -2.903 1.00 7.26 C ATOM 1422 CG PHE B 52 -29.423 -0.297 -4.026 1.00 7.38 C ATOM 1423 CD1 PHE B 52 -28.589 -1.300 -4.494 1.00 7.40 C ATOM 1424 CD2 PHE B 52 -30.697 -0.187 -4.569 1.00 7.60 C ATOM 1425 CE1 PHE B 52 -29.006 -2.162 -5.506 1.00 8.00 C ATOM 1426 CE2 PHE B 52 -31.120 -1.040 -5.577 1.00 8.42 C ATOM 1427 CZ PHE B 52 -30.275 -2.040 -6.037 1.00 8.30 C ATOM 1428 H PHE B 52 -29.435 2.598 -5.051 1.00 0.00 H ATOM 1429 N LEU B 53 -26.041 1.128 -3.515 1.00 6.27 N ATOM 1430 CA LEU B 53 -24.756 0.821 -4.107 1.00 6.48 C ATOM 1431 C LEU B 53 -24.509 -0.673 -4.014 1.00 6.07 C ATOM 1432 O LEU B 53 -24.903 -1.322 -3.039 1.00 7.00 O ATOM 1433 CB LEU B 53 -23.617 1.524 -3.366 1.00 7.56 C ATOM 1434 CG LEU B 53 -23.755 3.032 -3.213 1.00 8.10 C ATOM 1435 CD1 LEU B 53 -22.541 3.576 -2.494 1.00 10.39 C ATOM 1436 CD2 LEU B 53 -23.913 3.694 -4.555 1.00 9.43 C ATOM 1437 H LEU B 53 -26.183 0.903 -2.510 1.00 0.00 H ATOM 1438 N VAL B 54 -23.846 -1.215 -5.030 1.00 5.94 N ATOM 1439 CA VAL B 54 -23.303 -2.569 -4.993 1.00 6.60 C ATOM 1440 C VAL B 54 -21.804 -2.446 -5.188 1.00 6.31 C ATOM 1441 O VAL B 54 -21.353 -1.881 -6.193 1.00 6.67 O ATOM 1442 CB VAL B 54 -23.919 -3.489 -6.061 1.00 7.02 C ATOM 1443 CG1 VAL B 54 -23.493 -4.934 -5.802 1.00 7.98 C ATOM 1444 CG2 VAL B 54 -25.434 -3.371 -6.081 1.00 7.97 C ATOM 1445 H VAL B 54 -23.708 -0.648 -5.891 1.00 0.00 H ATOM 1446 N ILE B 55 -21.034 -2.974 -4.240 1.00 6.32 N ATOM 1447 CA ILE B 55 -19.583 -2.832 -4.285 1.00 6.71 C ATOM 1448 C ILE B 55 -18.921 -4.197 -4.169 1.00 6.27 C ATOM 1449 O ILE B 55 -19.430 -5.080 -3.465 1.00 7.02 O ATOM 1450 CB ILE B 55 -19.056 -1.862 -3.209 1.00 7.49 C ATOM 1451 CG1 ILE B 55 -19.154 -2.430 -1.785 1.00 7.67 C ATOM 1452 CG2 ILE B 55 -19.793 -0.539 -3.282 1.00 8.17 C ATOM 1453 CD1 ILE B 55 -18.507 -1.497 -0.755 1.00 7.82 C ATOM 1454 H ILE B 55 -21.473 -3.496 -3.455 1.00 0.00 H ATOM 1455 N PRO B 56 -17.783 -4.400 -4.820 1.00 6.47 N ATOM 1456 CA PRO B 56 -17.014 -5.622 -4.596 1.00 6.90 C ATOM 1457 C PRO B 56 -16.300 -5.534 -3.261 1.00 7.06 C ATOM 1458 O PRO B 56 -15.977 -4.450 -2.775 1.00 7.61 O ATOM 1459 CB PRO B 56 -15.998 -5.599 -5.742 1.00 7.19 C ATOM 1460 CG PRO B 56 -15.774 -4.133 -5.996 1.00 7.86 C ATOM 1461 CD PRO B 56 -17.106 -3.467 -5.744 1.00 7.29 C ATOM 1462 N LYS B 57 -16.066 -6.701 -2.661 1.00 7.49 N ATOM 1463 CA LYS B 57 -15.233 -6.736 -1.467 1.00 8.99 C ATOM 1464 C LYS B 57 -13.764 -6.564 -1.820 1.00 9.65 C ATOM 1465 O LYS B 57 -12.995 -6.009 -1.029 1.00 11.82 O ATOM 1466 CB LYS B 57 -15.501 -8.010 -0.672 1.00 9.61 C ATOM 1467 CG LYS B 57 -16.885 -7.988 -0.073 1.00 10.36 C ATOM 1468 CD LYS B 57 -17.169 -9.171 0.799 1.00 10.35 C ATOM 1469 CE LYS B 57 -18.468 -8.957 1.563 1.00 10.43 C ATOM 1470 NZ LYS B 57 -18.772 -10.096 2.461 1.00 10.08 N ATOM 1471 HZ1 LYS B 57 -18.863 -10.965 1.898 1.00 0.00 H ATOM 1472 HZ2 LYS B 57 -18.001 -10.208 3.150 1.00 0.00 H ATOM 1473 HZ3 LYS B 57 -19.664 -9.912 2.963 1.00 0.00 H ATOM 1474 H LYS B 57 -16.474 -7.578 -3.042 1.00 0.00 H ATOM 1475 N LYS B 58 -13.365 -6.999 -3.008 1.00 9.89 N ATOM 1476 CA LYS B 58 -12.029 -6.714 -3.504 1.00 10.30 C ATOM 1477 C LYS B 58 -11.893 -5.214 -3.722 1.00 10.60 C ATOM 1478 O LYS B 58 -12.759 -4.587 -4.340 1.00 10.89 O ATOM 1479 CB LYS B 58 -11.829 -7.428 -4.835 1.00 11.12 C ATOM 1480 CG LYS B 58 -10.467 -7.229 -5.446 1.00 12.44 C ATOM 1481 CD LYS B 58 -10.345 -7.973 -6.765 1.00 13.90 C ATOM 1482 CE LYS B 58 -8.958 -7.809 -7.362 1.00 15.80 C ATOM 1483 NZ LYS B 58 -8.840 -8.548 -8.649 1.00 16.21 N ATOM 1484 HZ1 LYS B 58 -9.015 -9.560 -8.484 1.00 0.00 H ATOM 1485 HZ2 LYS B 58 -9.540 -8.180 -9.324 1.00 0.00 H ATOM 1486 HZ3 LYS B 58 -7.883 -8.419 -9.035 1.00 0.00 H ATOM 1487 H LYS B 58 -14.020 -7.554 -3.595 1.00 0.00 H ATOM 1488 N HIS B 59 -10.810 -4.625 -3.218 1.00 11.12 N ATOM 1489 CA HIS B 59 -10.650 -3.181 -3.366 1.00 11.60 C ATOM 1490 C HIS B 59 -10.065 -2.849 -4.733 1.00 11.96 C ATOM 1491 O HIS B 59 -8.854 -2.719 -4.907 1.00 15.76 O ATOM 1492 CB HIS B 59 -9.829 -2.564 -2.245 1.00 14.10 C ATOM 1493 CG HIS B 59 -9.801 -1.068 -2.315 1.00 16.47 C ATOM 1494 ND1 HIS B 59 -8.911 -0.292 -1.604 1.00 17.89 N ATOM 1495 CD2 HIS B 59 -10.561 -0.206 -3.033 1.00 16.79 C ATOM 1496 CE1 HIS B 59 -9.126 0.982 -1.881 1.00 17.07 C ATOM 1497 NE2 HIS B 59 -10.122 1.060 -2.746 1.00 16.27 N ATOM 1498 H HIS B 59 -10.087 -5.187 -2.725 1.00 0.00 H ATOM 1499 N ILE B 60 -10.950 -2.693 -5.707 1.00 10.34 N ATOM 1500 CA ILE B 60 -10.621 -2.095 -6.995 1.00 9.79 C ATOM 1501 C ILE B 60 -10.940 -0.612 -6.854 1.00 9.02 C ATOM 1502 O ILE B 60 -12.070 -0.248 -6.517 1.00 9.47 O ATOM 1503 CB ILE B 60 -11.465 -2.729 -8.110 1.00 10.34 C ATOM 1504 CG1 ILE B 60 -11.354 -4.256 -8.080 1.00 11.35 C ATOM 1505 CG2 ILE B 60 -11.054 -2.184 -9.471 1.00 11.02 C ATOM 1506 CD1 ILE B 60 -12.300 -4.930 -9.045 1.00 12.72 C ATOM 1507 H ILE B 60 -11.926 -3.013 -5.545 1.00 0.00 H ATOM 1508 N SER B 61 -9.947 0.252 -7.080 1.00 9.00 N ATOM 1509 CA SER B 61 -10.138 1.664 -6.742 1.00 9.81 C ATOM 1510 C SER B 61 -11.059 2.380 -7.721 1.00 8.84 C ATOM 1511 O SER B 61 -11.746 3.333 -7.339 1.00 9.05 O ATOM 1512 CB SER B 61 -8.795 2.386 -6.680 1.00 11.57 C ATOM 1513 OG SER B 61 -8.155 2.368 -7.941 1.00 13.59 O ATOM 1514 HG SER B 61 -7.288 2.841 -7.876 1.00 0.00 H ATOM 1515 H SER B 61 -9.049 -0.074 -7.491 1.00 0.00 H ATOM 1516 N GLN B 62 -11.075 1.956 -8.979 1.00 8.88 N ATOM 1517 CA GLN B 62 -11.857 2.623 -10.010 1.00 9.23 C ATOM 1518 C GLN B 62 -11.910 1.697 -11.210 1.00 8.60 C ATOM 1519 O GLN B 62 -11.035 0.846 -11.401 1.00 9.48 O ATOM 1520 CB GLN B 62 -11.255 3.971 -10.399 1.00 11.98 C ATOM 1521 CG GLN B 62 -9.838 3.869 -10.873 1.00 13.71 C ATOM 1522 CD GLN B 62 -9.011 5.050 -10.436 1.00 16.17 C ATOM 1523 OE1 GLN B 62 -8.328 4.993 -9.414 1.00 18.24 O ATOM 1524 NE2 GLN B 62 -9.065 6.131 -11.204 1.00 15.99 N ATOM 1525 HE22 GLN B 62 -9.657 6.132 -12.059 1.00 0.00 H ATOM 1526 HE21 GLN B 62 -8.515 6.977 -10.951 1.00 0.00 H ATOM 1527 H GLN B 62 -10.511 1.121 -9.236 1.00 0.00 H ATOM 1528 N ILE B 63 -12.945 1.883 -12.027 1.00 8.44 N ATOM 1529 CA ILE B 63 -13.157 0.962 -13.133 1.00 8.48 C ATOM 1530 C ILE B 63 -11.999 1.006 -14.124 1.00 7.84 C ATOM 1531 O ILE B 63 -11.692 0.001 -14.774 1.00 8.77 O ATOM 1532 CB ILE B 63 -14.540 1.188 -13.776 1.00 9.75 C ATOM 1533 CG1 ILE B 63 -14.912 0.028 -14.699 1.00 11.30 C ATOM 1534 CG2 ILE B 63 -14.585 2.505 -14.537 1.00 10.34 C ATOM 1535 CD1 ILE B 63 -15.255 -1.250 -13.969 1.00 12.81 C ATOM 1536 H ILE B 63 -13.596 2.680 -11.876 1.00 0.00 H ATOM 1537 N SER B 64 -11.310 2.147 -14.228 1.00 8.26 N ATOM 1538 CA SER B 64 -10.231 2.259 -15.206 1.00 8.78 C ATOM 1539 C SER B 64 -9.070 1.319 -14.910 1.00 9.38 C ATOM 1540 O SER B 64 -8.297 1.010 -15.823 1.00 10.90 O ATOM 1541 CB SER B 64 -9.726 3.697 -15.301 1.00 9.24 C ATOM 1542 OG SER B 64 -9.144 4.112 -14.083 1.00 9.60 O ATOM 1543 HG SER B 64 -8.826 5.045 -14.172 1.00 0.00 H ATOM 1544 H SER B 64 -11.542 2.953 -13.614 1.00 0.00 H ATOM 1545 N VAL B 65 -8.929 0.851 -13.668 1.00 10.02 N ATOM 1546 CA VAL B 65 -7.853 -0.071 -13.317 1.00 10.75 C ATOM 1547 C VAL B 65 -8.345 -1.503 -13.129 1.00 10.79 C ATOM 1548 O VAL B 65 -7.562 -2.373 -12.734 1.00 12.14 O ATOM 1549 CB VAL B 65 -7.026 0.414 -12.115 1.00 12.07 C ATOM 1550 CG1 VAL B 65 -6.529 1.824 -12.368 1.00 13.19 C ATOM 1551 CG2 VAL B 65 -7.838 0.349 -10.830 1.00 12.99 C ATOM 1552 H VAL B 65 -9.601 1.150 -12.933 1.00 0.00 H ATOM 1553 N ALA B 66 -9.619 -1.774 -13.403 1.00 11.12 N ATOM 1554 CA ALA B 66 -10.099 -3.146 -13.332 1.00 12.22 C ATOM 1555 C ALA B 66 -9.373 -4.004 -14.358 1.00 14.64 C ATOM 1556 O ALA B 66 -9.001 -3.540 -15.439 1.00 14.95 O ATOM 1557 CB ALA B 66 -11.605 -3.194 -13.581 1.00 12.73 C ATOM 1558 H ALA B 66 -10.270 -1.007 -13.667 1.00 0.00 H ATOM 1559 N GLU B 67 -9.157 -5.264 -14.000 1.00 18.28 N ATOM 1560 CA GLU B 67 -8.421 -6.198 -14.835 1.00 21.92 C ATOM 1561 C GLU B 67 -9.381 -7.111 -15.588 1.00 21.18 C ATOM 1562 O GLU B 67 -10.554 -7.248 -15.234 1.00 20.64 O ATOM 1563 CB GLU B 67 -7.467 -7.037 -13.982 1.00 26.23 C ATOM 1564 CG GLU B 67 -6.611 -6.224 -13.017 1.00 29.85 C ATOM 1565 CD GLU B 67 -5.828 -7.100 -12.045 1.00 32.87 C ATOM 1566 OE1 GLU B 67 -4.880 -7.772 -12.493 1.00 34.38 O ATOM 1567 OE2 GLU B 67 -6.167 -7.105 -10.843 1.00 33.68 O ATOM 1568 H GLU B 67 -9.529 -5.595 -13.087 1.00 0.00 H ATOM 1569 N ASP B 68 -8.859 -7.745 -16.640 1.00 21.22 N ATOM 1570 CA ASP B 68 -9.664 -8.690 -17.408 1.00 21.49 C ATOM 1571 C ASP B 68 -10.225 -9.792 -16.515 1.00 19.86 C ATOM 1572 O ASP B 68 -11.376 -10.214 -16.681 1.00 19.98 O ATOM 1573 CB ASP B 68 -8.817 -9.306 -18.520 1.00 23.11 C ATOM 1574 CG ASP B 68 -8.312 -8.278 -19.514 1.00 24.39 C ATOM 1575 OD1 ASP B 68 -8.467 -7.061 -19.267 1.00 25.03 O ATOM 1576 OD2 ASP B 68 -7.735 -8.696 -20.541 1.00 25.65 O ATOM 1577 H ASP B 68 -7.872 -7.565 -16.914 1.00 0.00 H ATOM 1578 N ASP B 69 -9.428 -10.263 -15.554 1.00 18.28 N ATOM 1579 CA ASP B 69 -9.884 -11.310 -14.648 1.00 18.29 C ATOM 1580 C ASP B 69 -11.030 -10.863 -13.750 1.00 16.38 C ATOM 1581 O ASP B 69 -11.645 -11.712 -13.097 1.00 16.53 O ATOM 1582 CB ASP B 69 -8.724 -11.814 -13.783 1.00 22.38 C ATOM 1583 CG ASP B 69 -7.731 -12.657 -14.562 1.00 25.77 C ATOM 1584 OD1 ASP B 69 -8.002 -12.975 -15.740 1.00 26.55 O ATOM 1585 OD2 ASP B 69 -6.679 -13.012 -13.989 1.00 27.28 O ATOM 1586 H ASP B 69 -8.468 -9.878 -15.450 1.00 0.00 H ATOM 1587 N ASP B 70 -11.326 -9.565 -13.700 1.00 14.89 N ATOM 1588 CA ASP B 70 -12.419 -9.031 -12.900 1.00 14.01 C ATOM 1589 C ASP B 70 -13.754 -9.032 -13.628 1.00 11.86 C ATOM 1590 O ASP B 70 -14.741 -8.571 -13.049 1.00 11.12 O ATOM 1591 CB ASP B 70 -12.132 -7.575 -12.496 1.00 14.99 C ATOM 1592 CG ASP B 70 -10.924 -7.433 -11.590 1.00 16.01 C ATOM 1593 OD1 ASP B 70 -10.780 -8.223 -10.625 1.00 16.46 O ATOM 1594 OD2 ASP B 70 -10.115 -6.515 -11.853 1.00 17.99 O ATOM 1595 H ASP B 70 -10.750 -8.903 -14.258 1.00 0.00 H ATOM 1596 N GLU B 71 -13.819 -9.524 -14.872 1.00 11.98 N ATOM 1597 CA GLU B 71 -15.037 -9.375 -15.669 1.00 12.24 C ATOM 1598 C GLU B 71 -16.242 -10.005 -14.987 1.00 11.93 C ATOM 1599 O GLU B 71 -17.307 -9.391 -14.881 1.00 12.59 O ATOM 1600 CB GLU B 71 -14.843 -9.981 -17.057 1.00 13.66 C ATOM 1601 CG GLU B 71 -14.048 -9.099 -17.969 1.00 14.20 C ATOM 1602 CD GLU B 71 -14.016 -9.591 -19.392 1.00 13.55 C ATOM 1603 OE1 GLU B 71 -14.349 -10.776 -19.655 1.00 14.55 O ATOM 1604 OE2 GLU B 71 -13.639 -8.772 -20.248 1.00 12.48 O ATOM 1605 H GLU B 71 -12.996 -10.016 -15.275 1.00 0.00 H ATOM 1606 N SER B 72 -16.102 -11.243 -14.523 1.00 11.54 N ATOM 1607 CA SER B 72 -17.234 -11.926 -13.902 1.00 11.82 C ATOM 1608 C SER B 72 -17.667 -11.222 -12.622 1.00 10.52 C ATOM 1609 O SER B 72 -18.860 -11.126 -12.329 1.00 10.65 O ATOM 1610 CB SER B 72 -16.873 -13.386 -13.623 1.00 13.11 C ATOM 1611 OG SER B 72 -16.584 -14.078 -14.825 1.00 13.82 O ATOM 1612 HG SER B 72 -15.819 -13.643 -15.279 1.00 0.00 H ATOM 1613 H SER B 72 -15.184 -11.726 -14.602 1.00 0.00 H ATOM 1614 N LEU B 73 -16.697 -10.731 -11.847 1.00 9.77 N ATOM 1615 CA LEU B 73 -17.025 -10.011 -10.622 1.00 9.51 C ATOM 1616 C LEU B 73 -17.800 -8.735 -10.925 1.00 8.43 C ATOM 1617 O LEU B 73 -18.786 -8.421 -10.247 1.00 8.52 O ATOM 1618 CB LEU B 73 -15.745 -9.694 -9.856 1.00 9.64 C ATOM 1619 CG LEU B 73 -15.923 -8.830 -8.609 1.00 10.03 C ATOM 1620 CD1 LEU B 73 -16.763 -9.552 -7.577 1.00 11.94 C ATOM 1621 CD2 LEU B 73 -14.563 -8.483 -8.059 1.00 10.46 C ATOM 1622 H LEU B 73 -15.702 -10.863 -12.119 1.00 0.00 H ATOM 1623 N LEU B 74 -17.372 -7.986 -11.945 1.00 8.29 N ATOM 1624 CA LEU B 74 -18.093 -6.774 -12.317 1.00 8.14 C ATOM 1625 C LEU B 74 -19.502 -7.100 -12.784 1.00 7.73 C ATOM 1626 O LEU B 74 -20.464 -6.413 -12.415 1.00 8.25 O ATOM 1627 CB LEU B 74 -17.328 -6.024 -13.400 1.00 9.27 C ATOM 1628 CG LEU B 74 -15.988 -5.439 -12.974 1.00 10.07 C ATOM 1629 CD1 LEU B 74 -15.274 -4.936 -14.205 1.00 11.54 C ATOM 1630 CD2 LEU B 74 -16.188 -4.310 -11.977 1.00 10.59 C ATOM 1631 H LEU B 74 -16.523 -8.268 -12.475 1.00 0.00 H ATOM 1632 N GLY B 75 -19.648 -8.155 -13.587 1.00 7.62 N ATOM 1633 CA GLY B 75 -20.978 -8.571 -13.988 1.00 8.13 C ATOM 1634 C GLY B 75 -21.816 -9.026 -12.811 1.00 7.73 C ATOM 1635 O GLY B 75 -23.029 -8.810 -12.783 1.00 8.78 O ATOM 1636 H GLY B 75 -18.813 -8.676 -13.923 1.00 0.00 H ATOM 1637 N HIS B 76 -21.177 -9.669 -11.825 1.00 7.84 N ATOM 1638 CA HIS B 76 -21.867 -10.054 -10.597 1.00 8.07 C ATOM 1639 C HIS B 76 -22.466 -8.843 -9.889 1.00 7.73 C ATOM 1640 O HIS B 76 -23.575 -8.924 -9.354 1.00 7.99 O ATOM 1641 CB HIS B 76 -20.896 -10.798 -9.684 1.00 8.62 C ATOM 1642 CG HIS B 76 -21.534 -11.412 -8.479 1.00 8.42 C ATOM 1643 ND1 HIS B 76 -22.400 -12.481 -8.556 1.00 9.40 N ATOM 1644 CD2 HIS B 76 -21.425 -11.112 -7.163 1.00 8.33 C ATOM 1645 CE1 HIS B 76 -22.791 -12.818 -7.338 1.00 9.04 C ATOM 1646 NE2 HIS B 76 -22.214 -12.001 -6.476 1.00 8.37 N ATOM 1647 H HIS B 76 -20.169 -9.899 -11.936 1.00 0.00 H ATOM 1648 N LEU B 77 -21.747 -7.714 -9.869 1.00 7.68 N ATOM 1649 CA LEU B 77 -22.313 -6.505 -9.274 1.00 7.64 C ATOM 1650 C LEU B 77 -23.610 -6.119 -9.971 1.00 7.44 C ATOM 1651 O LEU B 77 -24.582 -5.717 -9.317 1.00 7.19 O ATOM 1652 CB LEU B 77 -21.316 -5.347 -9.349 1.00 8.64 C ATOM 1653 CG LEU B 77 -19.925 -5.567 -8.748 1.00 9.09 C ATOM 1654 CD1 LEU B 77 -19.061 -4.318 -8.929 1.00 9.90 C ATOM 1655 CD2 LEU B 77 -20.004 -5.959 -7.274 1.00 10.31 C ATOM 1656 H LEU B 77 -20.790 -7.697 -10.275 1.00 0.00 H ATOM 1657 N MET B 78 -23.642 -6.236 -11.303 1.00 7.84 N ATOM 1658 CA MET B 78 -24.839 -5.864 -12.050 1.00 8.49 C ATOM 1659 C MET B 78 -25.980 -6.844 -11.829 1.00 7.82 C ATOM 1660 O MET B 78 -27.140 -6.430 -11.741 1.00 8.17 O ATOM 1661 CB MET B 78 -24.518 -5.756 -13.533 1.00 10.44 C ATOM 1662 CG MET B 78 -23.602 -4.603 -13.860 1.00 14.23 C ATOM 1663 SD MET B 78 -23.442 -4.404 -15.632 1.00 18.22 S ATOM 1664 CE MET B 78 -25.142 -4.105 -16.061 1.00 19.07 C ATOM 1665 H MET B 78 -22.808 -6.595 -11.810 1.00 0.00 H ATOM 1666 N ILE B 79 -25.682 -8.146 -11.782 1.00 7.41 N ATOM 1667 CA ILE B 79 -26.729 -9.131 -11.519 1.00 7.95 C ATOM 1668 C ILE B 79 -27.289 -8.955 -10.110 1.00 7.61 C ATOM 1669 O ILE B 79 -28.508 -8.986 -9.903 1.00 8.50 O ATOM 1670 CB ILE B 79 -26.214 -10.560 -11.769 1.00 8.75 C ATOM 1671 CG1 ILE B 79 -25.914 -10.780 -13.259 1.00 9.55 C ATOM 1672 CG2 ILE B 79 -27.216 -11.588 -11.249 1.00 9.57 C ATOM 1673 CD1 ILE B 79 -27.122 -10.652 -14.168 1.00 11.13 C ATOM 1674 H ILE B 79 -24.702 -8.459 -11.933 1.00 0.00 H ATOM 1675 N VAL B 80 -26.406 -8.784 -9.118 1.00 7.87 N ATOM 1676 CA VAL B 80 -26.861 -8.494 -7.760 1.00 8.22 C ATOM 1677 C VAL B 80 -27.684 -7.214 -7.743 1.00 7.83 C ATOM 1678 O VAL B 80 -28.752 -7.151 -7.123 1.00 8.43 O ATOM 1679 CB VAL B 80 -25.661 -8.432 -6.795 1.00 8.22 C ATOM 1680 CG1 VAL B 80 -26.077 -7.868 -5.432 1.00 8.42 C ATOM 1681 CG2 VAL B 80 -25.058 -9.823 -6.625 1.00 8.45 C ATOM 1682 H VAL B 80 -25.388 -8.858 -9.316 1.00 0.00 H ATOM 1683 N GLY B 81 -27.223 -6.186 -8.456 1.00 7.70 N ATOM 1684 CA GLY B 81 -27.972 -4.942 -8.499 1.00 8.25 C ATOM 1685 C GLY B 81 -29.369 -5.115 -9.067 1.00 7.77 C ATOM 1686 O GLY B 81 -30.342 -4.593 -8.521 1.00 8.38 O ATOM 1687 H GLY B 81 -26.329 -6.275 -8.980 1.00 0.00 H ATOM 1688 N LYS B 82 -29.493 -5.849 -10.178 1.00 8.18 N ATOM 1689 CA LYS B 82 -30.826 -5.997 -10.758 1.00 9.10 C ATOM 1690 C LYS B 82 -31.727 -6.868 -9.885 1.00 9.01 C ATOM 1691 O LYS B 82 -32.934 -6.615 -9.793 1.00 9.59 O ATOM 1692 CB LYS B 82 -30.767 -6.430 -12.228 1.00 11.27 C ATOM 1693 CG LYS B 82 -30.367 -7.860 -12.464 1.00 11.73 C ATOM 1694 CD LYS B 82 -31.582 -8.762 -12.613 1.00 13.67 C ATOM 1695 CE LYS B 82 -31.181 -10.143 -13.087 1.00 15.71 C ATOM 1696 NZ LYS B 82 -32.368 -11.029 -13.249 1.00 17.63 N ATOM 1697 HZ1 LYS B 82 -32.857 -11.122 -12.336 1.00 0.00 H ATOM 1698 HZ2 LYS B 82 -33.015 -10.614 -13.949 1.00 0.00 H ATOM 1699 HZ3 LYS B 82 -32.057 -11.967 -13.575 1.00 0.00 H ATOM 1700 H LYS B 82 -28.665 -6.301 -10.616 1.00 0.00 H ATOM 1701 N LYS B 83 -31.159 -7.870 -9.210 1.00 9.22 N ATOM 1702 CA LYS B 83 -31.952 -8.675 -8.284 1.00 10.22 C ATOM 1703 C LYS B 83 -32.400 -7.854 -7.083 1.00 9.88 C ATOM 1704 O LYS B 83 -33.556 -7.955 -6.656 1.00 10.66 O ATOM 1705 CB LYS B 83 -31.165 -9.907 -7.840 1.00 10.97 C ATOM 1706 CG LYS B 83 -31.023 -10.934 -8.948 1.00 12.18 C ATOM 1707 CD LYS B 83 -30.180 -12.126 -8.538 1.00 13.49 C ATOM 1708 CE LYS B 83 -30.140 -13.156 -9.645 1.00 14.84 C ATOM 1709 NZ LYS B 83 -29.445 -14.387 -9.203 1.00 15.85 N ATOM 1710 HZ1 LYS B 83 -28.469 -14.154 -8.930 1.00 0.00 H ATOM 1711 HZ2 LYS B 83 -29.947 -14.793 -8.388 1.00 0.00 H ATOM 1712 HZ3 LYS B 83 -29.433 -15.076 -9.982 1.00 0.00 H ATOM 1713 H LYS B 83 -30.149 -8.078 -9.344 1.00 0.00 H ATOM 1714 N CYS B 84 -31.504 -7.033 -6.528 1.00 9.37 N ATOM 1715 CA CYS B 84 -31.894 -6.166 -5.421 1.00 9.51 C ATOM 1716 C CYS B 84 -32.955 -5.164 -5.857 1.00 9.32 C ATOM 1717 O CYS B 84 -33.894 -4.879 -5.107 1.00 9.67 O ATOM 1718 CB CYS B 84 -30.673 -5.435 -4.860 1.00 10.04 C ATOM 1719 SG CYS B 84 -29.519 -6.468 -3.931 1.00 10.99 S ATOM 1720 H CYS B 84 -30.528 -7.012 -6.885 1.00 0.00 H ATOM 1721 N ALA B 85 -32.822 -4.618 -7.070 1.00 8.32 N ATOM 1722 CA ALA B 85 -33.814 -3.664 -7.560 1.00 9.32 C ATOM 1723 C ALA B 85 -35.196 -4.298 -7.627 1.00 10.75 C ATOM 1724 O ALA B 85 -36.193 -3.679 -7.235 1.00 11.39 O ATOM 1725 CB ALA B 85 -33.395 -3.116 -8.924 1.00 9.75 C ATOM 1726 H ALA B 85 -32.010 -4.873 -7.667 1.00 0.00 H ATOM 1727 N ALA B 86 -35.276 -5.539 -8.116 1.00 11.61 N ATOM 1728 CA ALA B 86 -36.557 -6.234 -8.143 1.00 12.76 C ATOM 1729 C ALA B 86 -37.091 -6.448 -6.733 1.00 13.74 C ATOM 1730 O ALA B 86 -38.280 -6.229 -6.470 1.00 15.04 O ATOM 1731 CB ALA B 86 -36.408 -7.567 -8.872 1.00 12.90 C ATOM 1732 H ALA B 86 -34.422 -6.010 -8.478 1.00 0.00 H ATOM 1733 N ASP B 87 -36.218 -6.858 -5.807 1.00 13.69 N ATOM 1734 CA ASP B 87 -36.650 -7.100 -4.433 1.00 15.26 C ATOM 1735 C ASP B 87 -37.128 -5.823 -3.759 1.00 14.47 C ATOM 1736 O ASP B 87 -37.989 -5.877 -2.872 1.00 16.07 O ATOM 1737 CB ASP B 87 -35.513 -7.722 -3.621 1.00 18.12 C ATOM 1738 CG ASP B 87 -35.185 -9.138 -4.054 1.00 22.13 C ATOM 1739 OD1 ASP B 87 -34.086 -9.624 -3.705 1.00 24.04 O ATOM 1740 OD2 ASP B 87 -36.021 -9.765 -4.739 1.00 23.38 O ATOM 1741 H ASP B 87 -35.222 -7.006 -6.068 1.00 0.00 H ATOM 1742 N LEU B 88 -36.579 -4.675 -4.154 1.00 13.38 N ATOM 1743 CA LEU B 88 -36.967 -3.387 -3.598 1.00 12.91 C ATOM 1744 C LEU B 88 -38.146 -2.762 -4.333 1.00 13.66 C ATOM 1745 O LEU B 88 -38.496 -1.608 -4.059 1.00 15.14 O ATOM 1746 CB LEU B 88 -35.768 -2.439 -3.571 1.00 12.16 C ATOM 1747 CG LEU B 88 -34.661 -2.795 -2.571 1.00 12.77 C ATOM 1748 CD1 LEU B 88 -33.423 -1.960 -2.838 1.00 13.08 C ATOM 1749 CD2 LEU B 88 -35.131 -2.610 -1.139 1.00 14.66 C ATOM 1750 H LEU B 88 -35.844 -4.700 -4.889 1.00 0.00 H ATOM 1751 N GLY B 89 -38.763 -3.499 -5.253 1.00 12.95 N ATOM 1752 CA GLY B 89 -39.999 -3.066 -5.874 1.00 13.74 C ATOM 1753 C GLY B 89 -39.867 -2.108 -7.036 1.00 13.64 C ATOM 1754 O GLY B 89 -40.837 -1.418 -7.360 1.00 14.89 O ATOM 1755 H GLY B 89 -38.347 -4.410 -5.534 1.00 0.00 H ATOM 1756 N LEU B 90 -38.707 -2.050 -7.692 1.00 12.32 N ATOM 1757 CA LEU B 90 -38.486 -1.099 -8.785 1.00 12.43 C ATOM 1758 C LEU B 90 -38.998 -1.653 -10.119 1.00 13.44 C ATOM 1759 O LEU B 90 -38.263 -1.806 -11.097 1.00 14.10 O ATOM 1760 CB LEU B 90 -37.016 -0.706 -8.859 1.00 12.05 C ATOM 1761 CG LEU B 90 -36.446 -0.072 -7.587 1.00 11.75 C ATOM 1762 CD1 LEU B 90 -34.991 0.339 -7.800 1.00 11.69 C ATOM 1763 CD2 LEU B 90 -37.295 1.109 -7.131 1.00 12.88 C ATOM 1764 H LEU B 90 -37.939 -2.697 -7.421 1.00 0.00 H ATOM 1765 N ASN B 91 -40.305 -1.924 -10.158 1.00 13.12 N ATOM 1766 CA ASN B 91 -40.893 -2.561 -11.333 1.00 13.89 C ATOM 1767 C ASN B 91 -41.109 -1.615 -12.508 1.00 13.46 C ATOM 1768 O ASN B 91 -41.427 -2.090 -13.606 1.00 14.44 O ATOM 1769 CB ASN B 91 -42.190 -3.309 -10.989 1.00 16.68 C ATOM 1770 CG ASN B 91 -43.174 -2.465 -10.196 1.00 19.81 C ATOM 1771 OD1 ASN B 91 -43.103 -1.239 -10.186 1.00 21.28 O ATOM 1772 ND2 ASN B 91 -44.104 -3.132 -9.522 1.00 21.49 N ATOM 1773 HD22 ASN B 91 -44.128 -4.171 -9.558 1.00 0.00 H ATOM 1774 HD21 ASN B 91 -44.809 -2.615 -8.958 1.00 0.00 H ATOM 1775 H ASN B 91 -40.908 -1.680 -9.346 1.00 0.00 H ATOM 1776 N LYS B 92 -40.949 -0.307 -12.321 1.00 12.31 N ATOM 1777 CA LYS B 92 -41.038 0.634 -13.429 1.00 13.44 C ATOM 1778 C LYS B 92 -39.684 0.950 -14.045 1.00 12.28 C ATOM 1779 O LYS B 92 -39.624 1.689 -15.034 1.00 12.45 O ATOM 1780 CB LYS B 92 -41.723 1.934 -12.992 1.00 16.16 C ATOM 1781 CG LYS B 92 -43.199 1.779 -12.656 1.00 19.45 C ATOM 1782 CD LYS B 92 -43.976 3.059 -12.947 1.00 22.55 C ATOM 1783 CE LYS B 92 -43.229 4.297 -12.475 1.00 24.41 C ATOM 1784 NZ LYS B 92 -44.109 5.245 -11.731 1.00 25.58 N ATOM 1785 HZ1 LYS B 92 -44.885 5.555 -12.350 1.00 0.00 H ATOM 1786 HZ2 LYS B 92 -44.501 4.768 -10.894 1.00 0.00 H ATOM 1787 HZ3 LYS B 92 -43.552 6.071 -11.432 1.00 0.00 H ATOM 1788 H LYS B 92 -40.756 0.051 -11.364 1.00 0.00 H ATOM 1789 N GLY B 93 -38.606 0.416 -13.494 1.00 11.01 N ATOM 1790 CA GLY B 93 -37.282 0.607 -14.045 1.00 10.37 C ATOM 1791 C GLY B 93 -36.350 1.308 -13.075 1.00 9.24 C ATOM 1792 O GLY B 93 -36.696 1.615 -11.935 1.00 9.44 O ATOM 1793 H GLY B 93 -38.714 -0.161 -12.635 1.00 0.00 H ATOM 1794 N TYR B 94 -35.140 1.561 -13.564 1.00 8.27 N ATOM 1795 CA TYR B 94 -34.079 2.109 -12.732 1.00 7.99 C ATOM 1796 C TYR B 94 -32.886 2.409 -13.626 1.00 7.45 C ATOM 1797 O TYR B 94 -32.857 2.050 -14.806 1.00 8.04 O ATOM 1798 CB TYR B 94 -33.690 1.167 -11.583 1.00 8.10 C ATOM 1799 CG TYR B 94 -33.469 -0.264 -12.013 1.00 8.48 C ATOM 1800 CD1 TYR B 94 -32.248 -0.675 -12.537 1.00 8.91 C ATOM 1801 CD2 TYR B 94 -34.484 -1.209 -11.898 1.00 9.01 C ATOM 1802 CE1 TYR B 94 -32.046 -1.987 -12.932 1.00 9.31 C ATOM 1803 CE2 TYR B 94 -34.295 -2.518 -12.288 1.00 9.39 C ATOM 1804 CZ TYR B 94 -33.072 -2.908 -12.801 1.00 9.25 C ATOM 1805 OH TYR B 94 -32.889 -4.217 -13.195 1.00 10.34 O ATOM 1806 HH TYR B 94 -33.032 -4.817 -12.420 1.00 0.00 H ATOM 1807 H TYR B 94 -34.947 1.362 -14.566 1.00 0.00 H ATOM 1808 N ARG B 95 -31.902 3.087 -13.047 1.00 7.59 N ATOM 1809 CA ARG B 95 -30.680 3.443 -13.751 1.00 6.63 C ATOM 1810 C ARG B 95 -29.499 2.926 -12.948 1.00 6.48 C ATOM 1811 O ARG B 95 -29.451 3.095 -11.726 1.00 7.27 O ATOM 1812 CB ARG B 95 -30.571 4.960 -13.940 1.00 7.02 C ATOM 1813 CG ARG B 95 -29.240 5.414 -14.491 1.00 6.95 C ATOM 1814 CD ARG B 95 -29.311 6.851 -14.985 1.00 7.55 C ATOM 1815 NE ARG B 95 -30.245 6.939 -16.100 1.00 7.41 N ATOM 1816 CZ ARG B 95 -30.824 8.053 -16.536 1.00 6.92 C ATOM 1817 NH1 ARG B 95 -30.560 9.226 -15.965 1.00 7.14 N ATOM 1818 NH2 ARG B 95 -31.670 7.981 -17.556 1.00 7.36 N ATOM 1819 HE ARG B 95 -30.478 6.055 -16.597 1.00 0.00 H ATOM 1820 HH12 ARG B 95 -31.020 10.090 -16.316 1.00 0.00 H ATOM 1821 HH11 ARG B 95 -29.894 9.278 -15.168 1.00 0.00 H ATOM 1822 HH22 ARG B 95 -32.132 8.843 -17.910 1.00 0.00 H ATOM 1823 HH21 ARG B 95 -31.871 7.063 -18.001 1.00 0.00 H ATOM 1824 H ARG B 95 -32.009 3.374 -12.053 1.00 0.00 H ATOM 1825 N MET B 96 -28.550 2.307 -13.639 1.00 6.16 N ATOM 1826 CA MET B 96 -27.294 1.872 -13.047 1.00 6.46 C ATOM 1827 C MET B 96 -26.178 2.794 -13.509 1.00 5.95 C ATOM 1828 O MET B 96 -26.117 3.165 -14.690 1.00 6.07 O ATOM 1829 CB MET B 96 -26.961 0.451 -13.482 1.00 7.13 C ATOM 1830 CG MET B 96 -27.886 -0.595 -12.914 1.00 8.84 C ATOM 1831 SD MET B 96 -27.427 -2.241 -13.464 1.00 9.33 S ATOM 1832 CE MET B 96 -28.326 -3.233 -12.284 1.00 10.72 C ATOM 1833 H MET B 96 -28.711 2.124 -14.650 1.00 0.00 H ATOM 1834 N VAL B 97 -25.296 3.175 -12.583 1.00 5.92 N ATOM 1835 CA VAL B 97 -24.240 4.142 -12.878 1.00 6.17 C ATOM 1836 C VAL B 97 -22.927 3.692 -12.252 1.00 5.80 C ATOM 1837 O VAL B 97 -22.898 3.282 -11.089 1.00 6.46 O ATOM 1838 CB VAL B 97 -24.596 5.549 -12.348 1.00 6.07 C ATOM 1839 CG1 VAL B 97 -23.489 6.542 -12.699 1.00 7.51 C ATOM 1840 CG2 VAL B 97 -25.932 6.011 -12.902 1.00 7.37 C ATOM 1841 H VAL B 97 -25.362 2.773 -11.626 1.00 0.00 H ATOM 1842 N VAL B 98 -21.836 3.788 -13.014 1.00 5.85 N ATOM 1843 CA VAL B 98 -20.486 3.706 -12.465 1.00 6.09 C ATOM 1844 C VAL B 98 -19.758 4.988 -12.839 1.00 6.18 C ATOM 1845 O VAL B 98 -19.722 5.363 -14.015 1.00 6.47 O ATOM 1846 CB VAL B 98 -19.717 2.480 -12.988 1.00 6.85 C ATOM 1847 CG1 VAL B 98 -18.292 2.479 -12.431 1.00 7.85 C ATOM 1848 CG2 VAL B 98 -20.440 1.200 -12.610 1.00 8.13 C ATOM 1849 H VAL B 98 -21.952 3.927 -14.038 1.00 0.00 H ATOM 1850 N ASN B 99 -19.183 5.657 -11.849 1.00 6.08 N ATOM 1851 CA ASN B 99 -18.444 6.893 -12.069 1.00 6.41 C ATOM 1852 C ASN B 99 -16.947 6.627 -12.045 1.00 6.15 C ATOM 1853 O ASN B 99 -16.453 5.915 -11.169 1.00 7.27 O ATOM 1854 CB ASN B 99 -18.741 7.883 -10.948 1.00 6.62 C ATOM 1855 CG ASN B 99 -20.200 8.269 -10.870 1.00 7.01 C ATOM 1856 OD1 ASN B 99 -20.870 8.420 -11.889 1.00 7.51 O ATOM 1857 ND2 ASN B 99 -20.699 8.446 -9.649 1.00 8.21 N ATOM 1858 HD22 ASN B 99 -20.094 8.307 -8.815 1.00 0.00 H ATOM 1859 HD21 ASN B 99 -21.694 8.724 -9.529 1.00 0.00 H ATOM 1860 H ASN B 99 -19.262 5.286 -10.881 1.00 0.00 H ATOM 1861 N GLU B 100 -16.222 7.243 -12.980 1.00 6.24 N ATOM 1862 CA GLU B 100 -14.767 7.136 -13.048 1.00 6.62 C ATOM 1863 C GLU B 100 -14.134 8.519 -12.953 1.00 6.73 C ATOM 1864 O GLU B 100 -14.371 9.381 -13.810 1.00 6.68 O ATOM 1865 CB GLU B 100 -14.330 6.482 -14.356 1.00 7.39 C ATOM 1866 CG GLU B 100 -12.841 6.630 -14.664 1.00 8.57 C ATOM 1867 CD GLU B 100 -11.927 5.798 -13.770 1.00 8.65 C ATOM 1868 OE1 GLU B 100 -12.365 4.745 -13.262 1.00 8.99 O ATOM 1869 OE2 GLU B 100 -10.750 6.201 -13.596 1.00 10.03 O ATOM 1870 H GLU B 100 -16.713 7.823 -13.690 1.00 0.00 H ATOM 1871 N GLY B 101 -13.306 8.719 -11.935 1.00 7.51 N ATOM 1872 CA GLY B 101 -12.462 9.890 -11.888 1.00 7.85 C ATOM 1873 C GLY B 101 -13.197 11.206 -11.694 1.00 8.01 C ATOM 1874 O GLY B 101 -14.373 11.274 -11.331 1.00 8.01 O ATOM 1875 H GLY B 101 -13.265 8.024 -11.162 1.00 0.00 H ATOM 1876 N SER B 102 -12.444 12.271 -11.971 1.00 8.81 N ATOM 1877 CA SER B 102 -12.907 13.629 -11.714 1.00 9.65 C ATOM 1878 C SER B 102 -14.093 13.987 -12.599 1.00 8.75 C ATOM 1879 O SER B 102 -15.144 14.409 -12.106 1.00 8.83 O ATOM 1880 CB SER B 102 -11.747 14.598 -11.945 1.00 12.44 C ATOM 1881 OG SER B 102 -12.137 15.939 -11.726 1.00 13.70 O ATOM 1882 HG SER B 102 -12.870 16.174 -12.349 1.00 0.00 H ATOM 1883 H SER B 102 -11.499 12.129 -12.382 1.00 0.00 H ATOM 1884 N ASP B 103 -13.944 13.817 -13.915 1.00 8.44 N ATOM 1885 CA ASP B 103 -15.034 14.137 -14.832 1.00 8.35 C ATOM 1886 C ASP B 103 -16.240 13.236 -14.597 1.00 7.53 C ATOM 1887 O ASP B 103 -17.382 13.654 -14.813 1.00 7.75 O ATOM 1888 CB ASP B 103 -14.585 14.037 -16.290 1.00 9.50 C ATOM 1889 CG ASP B 103 -13.970 15.324 -16.820 1.00 10.85 C ATOM 1890 OD1 ASP B 103 -13.930 16.346 -16.097 1.00 11.73 O ATOM 1891 OD2 ASP B 103 -13.534 15.304 -17.988 1.00 11.54 O ATOM 1892 H ASP B 103 -13.044 13.454 -14.290 1.00 0.00 H ATOM 1893 N GLY B 104 -16.015 11.994 -14.168 1.00 7.28 N ATOM 1894 CA GLY B 104 -17.131 11.122 -13.861 1.00 7.48 C ATOM 1895 C GLY B 104 -17.832 11.425 -12.556 1.00 6.96 C ATOM 1896 O GLY B 104 -18.887 10.846 -12.287 1.00 7.41 O ATOM 1897 H GLY B 104 -15.040 11.651 -14.054 1.00 0.00 H ATOM 1898 N GLY B 105 -17.281 12.326 -11.743 1.00 6.70 N ATOM 1899 CA GLY B 105 -17.877 12.626 -10.456 1.00 7.24 C ATOM 1900 C GLY B 105 -17.738 11.519 -9.435 1.00 6.75 C ATOM 1901 O GLY B 105 -18.564 11.419 -8.521 1.00 7.48 O ATOM 1902 H GLY B 105 -16.413 12.820 -12.035 1.00 0.00 H ATOM 1903 N GLN B 106 -16.731 10.654 -9.581 1.00 6.66 N ATOM 1904 CA GLN B 106 -16.540 9.564 -8.638 1.00 6.53 C ATOM 1905 C GLN B 106 -16.249 10.127 -7.253 1.00 7.16 C ATOM 1906 O GLN B 106 -15.341 10.941 -7.079 1.00 8.07 O ATOM 1907 CB GLN B 106 -15.390 8.683 -9.123 1.00 7.31 C ATOM 1908 CG GLN B 106 -15.136 7.504 -8.209 1.00 7.63 C ATOM 1909 CD GLN B 106 -14.125 6.516 -8.750 1.00 7.39 C ATOM 1910 OE1 GLN B 106 -13.476 6.745 -9.775 1.00 8.26 O ATOM 1911 NE2 GLN B 106 -13.972 5.404 -8.039 1.00 7.88 N ATOM 1912 HE22 GLN B 106 -14.541 5.253 -7.181 1.00 0.00 H ATOM 1913 HE21 GLN B 106 -13.284 4.685 -8.340 1.00 0.00 H ATOM 1914 H GLN B 106 -16.074 10.762 -10.380 1.00 0.00 H ATOM 1915 N SER B 107 -17.037 9.705 -6.264 1.00 6.97 N ATOM 1916 CA SER B 107 -16.941 10.271 -4.922 1.00 7.21 C ATOM 1917 C SER B 107 -16.127 9.427 -3.956 1.00 7.29 C ATOM 1918 O SER B 107 -15.649 9.966 -2.950 1.00 7.60 O ATOM 1919 CB SER B 107 -18.335 10.496 -4.334 1.00 8.85 C ATOM 1920 OG SER B 107 -19.059 9.288 -4.279 1.00 10.37 O ATOM 1921 HG SER B 107 -19.956 9.459 -3.896 1.00 0.00 H ATOM 1922 H SER B 107 -17.735 8.957 -6.453 1.00 0.00 H ATOM 1923 N VAL B 108 -15.976 8.129 -4.227 1.00 6.92 N ATOM 1924 CA VAL B 108 -15.208 7.215 -3.386 1.00 7.02 C ATOM 1925 C VAL B 108 -14.374 6.353 -4.316 1.00 6.84 C ATOM 1926 O VAL B 108 -14.906 5.771 -5.267 1.00 6.92 O ATOM 1927 CB VAL B 108 -16.116 6.325 -2.512 1.00 7.30 C ATOM 1928 CG1 VAL B 108 -15.277 5.370 -1.673 1.00 8.17 C ATOM 1929 CG2 VAL B 108 -16.989 7.178 -1.614 1.00 7.70 C ATOM 1930 H VAL B 108 -16.429 7.748 -5.082 1.00 0.00 H ATOM 1931 N TYR B 109 -13.073 6.248 -4.037 1.00 7.11 N ATOM 1932 CA TYR B 109 -12.176 5.442 -4.865 1.00 7.87 C ATOM 1933 C TYR B 109 -12.198 3.970 -4.442 1.00 7.10 C ATOM 1934 O TYR B 109 -11.204 3.368 -4.039 1.00 7.58 O ATOM 1935 CB TYR B 109 -10.785 6.054 -4.931 1.00 9.64 C ATOM 1936 CG TYR B 109 -10.766 7.179 -5.961 1.00 11.68 C ATOM 1937 CD1 TYR B 109 -11.006 8.501 -5.607 1.00 14.45 C ATOM 1938 CD2 TYR B 109 -10.587 6.891 -7.313 1.00 14.14 C ATOM 1939 CE1 TYR B 109 -11.016 9.507 -6.574 1.00 15.36 C ATOM 1940 CE2 TYR B 109 -10.599 7.880 -8.275 1.00 15.43 C ATOM 1941 CZ TYR B 109 -10.815 9.182 -7.904 1.00 15.70 C ATOM 1942 OH TYR B 109 -10.822 10.152 -8.884 1.00 16.92 O ATOM 1943 HH TYR B 109 -10.988 11.036 -8.471 1.00 0.00 H ATOM 1944 H TYR B 109 -12.688 6.751 -3.212 1.00 0.00 H ATOM 1945 N HIS B 110 -13.400 3.414 -4.544 1.00 6.93 N ATOM 1946 CA HIS B 110 -13.672 1.987 -4.423 1.00 6.62 C ATOM 1947 C HIS B 110 -14.807 1.760 -5.409 1.00 6.59 C ATOM 1948 O HIS B 110 -15.843 2.420 -5.284 1.00 7.03 O ATOM 1949 CB HIS B 110 -14.114 1.655 -2.986 1.00 7.52 C ATOM 1950 CG HIS B 110 -14.301 0.195 -2.726 1.00 7.66 C ATOM 1951 ND1 HIS B 110 -13.638 -0.462 -1.715 1.00 8.64 N ATOM 1952 CD2 HIS B 110 -15.083 -0.728 -3.332 1.00 8.10 C ATOM 1953 CE1 HIS B 110 -13.997 -1.732 -1.714 1.00 8.61 C ATOM 1954 NE2 HIS B 110 -14.870 -1.921 -2.688 1.00 8.43 N ATOM 1955 H HIS B 110 -14.208 4.044 -4.724 1.00 0.00 H ATOM 1956 N VAL B 111 -14.599 0.885 -6.403 1.00 6.73 N ATOM 1957 CA VAL B 111 -15.602 0.702 -7.450 1.00 7.64 C ATOM 1958 C VAL B 111 -16.965 0.492 -6.826 1.00 6.70 C ATOM 1959 O VAL B 111 -17.134 -0.335 -5.921 1.00 6.96 O ATOM 1960 CB VAL B 111 -15.229 -0.487 -8.355 1.00 9.62 C ATOM 1961 CG1 VAL B 111 -16.447 -0.979 -9.164 1.00 10.24 C ATOM 1962 CG2 VAL B 111 -14.098 -0.126 -9.262 1.00 10.48 C ATOM 1963 H VAL B 111 -13.718 0.333 -6.429 1.00 0.00 H ATOM 1964 N ASN B 112 -17.949 1.230 -7.323 1.00 6.13 N ATOM 1965 CA ASN B 112 -19.290 1.125 -6.779 1.00 6.45 C ATOM 1966 C ASN B 112 -20.317 1.352 -7.875 1.00 5.96 C ATOM 1967 O ASN B 112 -20.213 2.308 -8.655 1.00 7.30 O ATOM 1968 CB ASN B 112 -19.502 2.031 -5.548 1.00 6.55 C ATOM 1969 CG ASN B 112 -19.403 3.513 -5.849 1.00 6.89 C ATOM 1970 OD1 ASN B 112 -20.421 4.199 -5.921 1.00 7.78 O ATOM 1971 ND2 ASN B 112 -18.183 4.025 -5.961 1.00 6.54 N ATOM 1972 HD22 ASN B 112 -17.351 3.405 -5.893 1.00 0.00 H ATOM 1973 HD21 ASN B 112 -18.060 5.046 -6.116 1.00 0.00 H ATOM 1974 H ASN B 112 -17.758 1.887 -8.106 1.00 0.00 H ATOM 1975 N LEU B 113 -21.285 0.444 -7.943 1.00 5.61 N ATOM 1976 CA LEU B 113 -22.377 0.518 -8.900 1.00 5.96 C ATOM 1977 C LEU B 113 -23.571 1.156 -8.199 1.00 5.81 C ATOM 1978 O LEU B 113 -24.092 0.594 -7.227 1.00 6.92 O ATOM 1979 CB LEU B 113 -22.738 -0.891 -9.368 1.00 6.91 C ATOM 1980 CG LEU B 113 -23.933 -1.015 -10.314 1.00 7.72 C ATOM 1981 CD1 LEU B 113 -23.581 -0.456 -11.679 1.00 8.45 C ATOM 1982 CD2 LEU B 113 -24.354 -2.460 -10.426 1.00 8.95 C ATOM 1983 H LEU B 113 -21.260 -0.357 -7.280 1.00 0.00 H ATOM 1984 N HIS B 114 -23.989 2.328 -8.679 1.00 6.11 N ATOM 1985 CA HIS B 114 -25.205 2.957 -8.183 1.00 6.67 C ATOM 1986 C HIS B 114 -26.417 2.371 -8.888 1.00 6.39 C ATOM 1987 O HIS B 114 -26.386 2.120 -10.096 1.00 6.96 O ATOM 1988 CB HIS B 114 -25.202 4.453 -8.501 1.00 6.56 C ATOM 1989 CG HIS B 114 -24.102 5.223 -7.847 1.00 6.77 C ATOM 1990 ND1 HIS B 114 -24.326 6.088 -6.796 1.00 7.43 N ATOM 1991 CD2 HIS B 114 -22.774 5.276 -8.109 1.00 7.81 C ATOM 1992 CE1 HIS B 114 -23.176 6.630 -6.431 1.00 7.22 C ATOM 1993 NE2 HIS B 114 -22.219 6.152 -7.209 1.00 7.07 N ATOM 1994 H HIS B 114 -23.436 2.802 -9.422 1.00 0.00 H ATOM 1995 N VAL B 115 -27.497 2.177 -8.133 1.00 6.53 N ATOM 1996 CA VAL B 115 -28.788 1.794 -8.691 1.00 6.66 C ATOM 1997 C VAL B 115 -29.815 2.775 -8.155 1.00 6.37 C ATOM 1998 O VAL B 115 -29.982 2.893 -6.935 1.00 7.15 O ATOM 1999 CB VAL B 115 -29.176 0.347 -8.334 1.00 7.71 C ATOM 2000 CG1 VAL B 115 -30.487 -0.038 -9.009 1.00 8.97 C ATOM 2001 CG2 VAL B 115 -28.066 -0.623 -8.709 1.00 8.77 C ATOM 2002 H VAL B 115 -27.416 2.304 -7.104 1.00 0.00 H ATOM 2003 N LEU B 116 -30.485 3.487 -9.061 1.00 6.85 N ATOM 2004 CA LEU B 116 -31.405 4.561 -8.708 1.00 7.10 C ATOM 2005 C LEU B 116 -32.761 4.308 -9.342 1.00 7.05 C ATOM 2006 O LEU B 116 -32.842 4.016 -10.537 1.00 8.15 O ATOM 2007 CB LEU B 116 -30.883 5.912 -9.206 1.00 8.33 C ATOM 2008 CG LEU B 116 -29.481 6.311 -8.758 1.00 8.72 C ATOM 2009 CD1 LEU B 116 -28.464 6.102 -9.862 1.00 9.16 C ATOM 2010 CD2 LEU B 116 -29.467 7.746 -8.292 1.00 10.03 C ATOM 2011 H LEU B 116 -30.345 3.266 -10.067 1.00 0.00 H ATOM 2012 N GLY B 117 -33.820 4.464 -8.561 1.00 7.63 N ATOM 2013 CA GLY B 117 -35.154 4.328 -9.107 1.00 8.72 C ATOM 2014 C GLY B 117 -36.193 4.879 -8.157 1.00 8.95 C ATOM 2015 O GLY B 117 -35.874 5.541 -7.168 1.00 9.14 O ATOM 2016 H GLY B 117 -33.693 4.685 -7.553 1.00 0.00 H ATOM 2017 N GLY B 118 -37.455 4.598 -8.466 1.00 9.36 N ATOM 2018 CA GLY B 118 -38.552 5.171 -7.717 1.00 10.33 C ATOM 2019 C GLY B 118 -38.972 6.546 -8.184 1.00 10.32 C ATOM 2020 O GLY B 118 -39.854 7.157 -7.561 1.00 11.71 O ATOM 2021 H GLY B 118 -37.657 3.956 -9.259 1.00 0.00 H ATOM 2022 N ARG B 119 -38.344 7.060 -9.237 1.00 10.07 N ATOM 2023 CA ARG B 119 -38.754 8.283 -9.905 1.00 10.21 C ATOM 2024 C ARG B 119 -38.288 8.172 -11.345 1.00 9.84 C ATOM 2025 O ARG B 119 -37.461 7.323 -11.681 1.00 9.80 O ATOM 2026 CB ARG B 119 -38.122 9.525 -9.266 1.00 10.12 C ATOM 2027 CG ARG B 119 -36.593 9.612 -9.370 1.00 10.44 C ATOM 2028 CD ARG B 119 -36.125 11.000 -8.947 1.00 10.89 C ATOM 2029 NE ARG B 119 -34.674 11.159 -8.859 1.00 10.44 N ATOM 2030 CZ ARG B 119 -33.888 11.507 -9.873 1.00 9.99 C ATOM 2031 NH1 ARG B 119 -34.399 11.695 -11.084 1.00 10.23 N ATOM 2032 NH2 ARG B 119 -32.585 11.653 -9.678 1.00 10.13 N ATOM 2033 HE ARG B 119 -34.225 10.988 -7.937 1.00 0.00 H ATOM 2034 HH12 ARG B 119 -33.779 11.967 -11.873 1.00 0.00 H ATOM 2035 HH11 ARG B 119 -35.419 11.570 -11.243 1.00 0.00 H ATOM 2036 HH22 ARG B 119 -31.968 11.925 -10.470 1.00 0.00 H ATOM 2037 HH21 ARG B 119 -32.180 11.495 -8.733 1.00 0.00 H ATOM 2038 H ARG B 119 -37.511 6.557 -9.604 1.00 0.00 H ATOM 2039 N GLN B 120 -38.811 9.048 -12.198 1.00 10.23 N ATOM 2040 CA GLN B 120 -38.278 9.152 -13.548 1.00 10.20 C ATOM 2041 C GLN B 120 -36.843 9.658 -13.489 1.00 9.32 C ATOM 2042 O GLN B 120 -36.569 10.705 -12.893 1.00 10.14 O ATOM 2043 CB GLN B 120 -39.113 10.130 -14.370 1.00 10.96 C ATOM 2044 CG GLN B 120 -38.658 10.257 -15.816 1.00 11.62 C ATOM 2045 CD GLN B 120 -38.869 8.978 -16.593 1.00 11.83 C ATOM 2046 OE1 GLN B 120 -40.006 8.561 -16.810 1.00 12.76 O ATOM 2047 NE2 GLN B 120 -37.779 8.341 -17.009 1.00 10.92 N ATOM 2048 HE22 GLN B 120 -36.838 8.732 -16.802 1.00 0.00 H ATOM 2049 HE21 GLN B 120 -37.868 7.452 -17.541 1.00 0.00 H ATOM 2050 H GLN B 120 -39.599 9.658 -11.901 1.00 0.00 H ATOM 2051 N MET B 121 -35.929 8.909 -14.100 1.00 8.82 N ATOM 2052 CA MET B 121 -34.565 9.370 -14.300 1.00 8.85 C ATOM 2053 C MET B 121 -34.507 10.117 -15.626 1.00 9.22 C ATOM 2054 O MET B 121 -35.160 9.726 -16.596 1.00 9.93 O ATOM 2055 CB MET B 121 -33.598 8.185 -14.297 1.00 9.30 C ATOM 2056 CG MET B 121 -33.711 7.314 -13.041 1.00 10.03 C ATOM 2057 SD MET B 121 -33.386 8.194 -11.488 1.00 10.78 S ATOM 2058 CE MET B 121 -31.690 8.714 -11.743 1.00 11.08 C ATOM 2059 H MET B 121 -36.198 7.966 -14.445 1.00 0.00 H ATOM 2060 N HIS B 122 -33.735 11.198 -15.662 1.00 9.02 N ATOM 2061 CA HIS B 122 -33.767 12.147 -16.766 1.00 9.29 C ATOM 2062 C HIS B 122 -32.526 12.022 -17.641 1.00 8.65 C ATOM 2063 O HIS B 122 -31.558 11.337 -17.309 1.00 8.95 O ATOM 2064 CB HIS B 122 -33.924 13.574 -16.233 1.00 11.39 C ATOM 2065 CG HIS B 122 -35.103 13.735 -15.330 1.00 14.63 C ATOM 2066 ND1 HIS B 122 -36.397 13.532 -15.758 1.00 17.11 N ATOM 2067 CD2 HIS B 122 -35.184 14.041 -14.014 1.00 16.95 C ATOM 2068 CE1 HIS B 122 -37.227 13.729 -14.750 1.00 17.48 C ATOM 2069 NE2 HIS B 122 -36.516 14.037 -13.680 1.00 18.24 N ATOM 2070 H HIS B 122 -33.083 11.373 -14.871 1.00 0.00 H ATOM 2071 N TRP B 123 -32.572 12.705 -18.778 1.00 8.44 N ATOM 2072 CA TRP B 123 -31.492 12.650 -19.750 1.00 8.57 C ATOM 2073 C TRP B 123 -31.154 14.092 -20.101 1.00 8.99 C ATOM 2074 O TRP B 123 -32.052 14.882 -20.358 1.00 10.76 O ATOM 2075 CB TRP B 123 -31.955 11.886 -20.988 1.00 8.79 C ATOM 2076 CG TRP B 123 -30.871 11.216 -21.776 1.00 8.14 C ATOM 2077 CD1 TRP B 123 -30.530 11.461 -23.076 1.00 9.12 C ATOM 2078 CD2 TRP B 123 -30.012 10.161 -21.328 1.00 7.79 C ATOM 2079 NE1 TRP B 123 -29.507 10.628 -23.462 1.00 8.98 N ATOM 2080 CE2 TRP B 123 -29.170 9.819 -22.408 1.00 8.17 C ATOM 2081 CE3 TRP B 123 -29.876 9.468 -20.118 1.00 7.97 C ATOM 2082 CZ2 TRP B 123 -28.205 8.816 -22.315 1.00 8.44 C ATOM 2083 CZ3 TRP B 123 -28.919 8.470 -20.027 1.00 7.64 C ATOM 2084 CH2 TRP B 123 -28.096 8.154 -21.119 1.00 8.27 C ATOM 2085 HE1 TRP B 123 -29.061 10.614 -24.401 1.00 0.00 H ATOM 2086 H TRP B 123 -33.404 13.296 -18.979 1.00 0.00 H ATOM 2087 N PRO B 124 -29.861 14.450 -20.119 1.00 8.74 N ATOM 2088 CA PRO B 124 -28.673 13.609 -19.932 1.00 8.70 C ATOM 2089 C PRO B 124 -28.502 13.120 -18.494 1.00 7.91 C ATOM 2090 O PRO B 124 -29.094 13.691 -17.573 1.00 8.05 O ATOM 2091 CB PRO B 124 -27.528 14.559 -20.293 1.00 9.53 C ATOM 2092 CG PRO B 124 -28.065 15.921 -19.954 1.00 10.12 C ATOM 2093 CD PRO B 124 -29.498 15.857 -20.367 1.00 9.59 C ATOM 2094 N PRO B 125 -27.692 12.069 -18.297 1.00 7.52 N ATOM 2095 CA PRO B 125 -27.504 11.497 -16.953 1.00 7.29 C ATOM 2096 C PRO B 125 -26.436 12.254 -16.176 1.00 7.53 C ATOM 2097 O PRO B 125 -25.380 11.718 -15.823 1.00 8.32 O ATOM 2098 CB PRO B 125 -27.078 10.061 -17.276 1.00 7.96 C ATOM 2099 CG PRO B 125 -26.244 10.232 -18.515 1.00 7.96 C ATOM 2100 CD PRO B 125 -26.926 11.326 -19.314 1.00 7.60 C ATOM 2101 N GLY B 126 -26.713 13.524 -15.906 1.00 8.07 N ATOM 2102 CA GLY B 126 -25.702 14.428 -15.400 1.00 9.20 C ATOM 2103 C GLY B 126 -24.908 15.075 -16.512 1.00 9.86 C ATOM 2104 O GLY B 126 -23.866 15.683 -16.240 1.00 9.35 O ATOM 2105 OXT GLY B 126 -25.303 14.989 -17.681 1.00 12.37 O ATOM 2106 H GLY B 126 -27.679 13.878 -16.062 1.00 0.00 H TER 2107 GLY B 126 HETATM 2108 O HOH 1 -12.076 -11.062 -23.975 1.00 34.82 O HETATM 2109 O HOH 2 -25.225 -14.612 -10.660 1.00 34.72 O HETATM 2110 O HOH 3 -39.056 2.442 -22.155 1.00 21.27 O HETATM 2111 O HOH 4 -21.567 -14.472 -19.785 1.00 13.70 O HETATM 2112 O HOH 5 -19.085 -14.193 -21.680 1.00 29.77 O HETATM 2113 O HOH 6 -32.112 -6.674 -31.233 1.00 21.73 O HETATM 2114 O HOH 7 -41.320 6.201 -16.365 1.00 14.73 O HETATM 2115 O HOH 8 -30.832 12.036 -27.057 1.00 34.03 O HETATM 2116 O HOH 9 -38.368 -2.678 -15.973 1.00 25.30 O HETATM 2117 O HOH 10 -38.534 3.025 -10.557 1.00 11.20 O HETATM 2118 O HOH 11 -30.553 15.933 -24.152 1.00 37.04 O HETATM 2119 O HOH 12 -43.867 4.391 -19.732 1.00 42.64 O HETATM 2120 O HOH 13 -15.269 19.864 -21.901 1.00 13.42 O HETATM 2121 O HOH 14 -18.385 -15.873 -28.602 1.00 21.26 O HETATM 2122 O HOH 15 -11.311 2.482 -32.948 1.00 34.94 O HETATM 2123 O HOH 16 -6.168 7.696 -22.284 1.00 29.29 O HETATM 2124 O HOH 17 -21.057 -6.164 -35.226 1.00 11.92 O HETATM 2125 O HOH 18 -20.040 3.742 -40.666 1.00 27.46 O HETATM 2126 O HOH 19 -33.952 -6.771 -40.073 1.00 28.67 O HETATM 2127 O HOH 20 -23.749 -14.528 -21.758 1.00 22.21 O HETATM 2128 O HOH 21 -41.548 5.657 -10.101 1.00 23.78 O HETATM 2129 O HOH 22 -21.339 10.382 -30.483 1.00 16.70 O HETATM 2130 O HOH 23 -25.009 4.663 -35.742 1.00 14.31 O HETATM 2131 O HOH 24 -10.342 3.797 -18.733 1.00 10.30 O HETATM 2132 O HOH 25 -20.024 21.866 -15.224 1.00 29.89 O HETATM 2133 O HOH 26 -22.615 5.139 -34.529 1.00 14.33 O HETATM 2134 O HOH 27 -21.374 -3.670 -36.293 1.00 13.02 O HETATM 2135 O HOH 28 -30.237 -13.237 -13.174 1.00 18.31 O HETATM 2136 O HOH 29 -38.245 -7.443 -16.194 1.00 27.77 O HETATM 2137 O HOH 30 -15.266 4.560 -36.323 1.00 28.83 O HETATM 2138 O HOH 31 -20.896 -15.399 -9.561 1.00 23.47 O HETATM 2139 O HOH 32 -31.281 9.282 -30.491 1.00 24.26 O HETATM 2140 O HOH 33 -12.623 -12.250 -30.493 1.00 32.34 O HETATM 2141 O HOH 34 -25.167 12.318 -34.898 1.00 26.12 O HETATM 2142 O HOH 35 -30.572 14.121 -31.243 1.00 36.15 O HETATM 2143 O HOH 36 -5.567 5.417 -28.635 1.00 30.62 O HETATM 2144 O HOH 37 -21.682 -8.949 -38.018 1.00 18.34 O HETATM 2145 O HOH 38 -20.228 19.952 -17.849 1.00 18.40 O HETATM 2146 O HOH 39 -35.269 -8.561 -12.506 1.00 16.19 O HETATM 2147 O HOH 40 -20.103 -13.602 -32.262 1.00 22.17 O HETATM 2148 O HOH 41 -29.100 1.624 -21.354 1.00 8.47 O HETATM 2149 O HOH 42 -28.581 10.035 -26.114 1.00 10.52 O HETATM 2150 O HOH 43 -14.869 17.725 -10.236 1.00 19.74 O HETATM 2151 O HOH 44 -33.112 5.838 -28.967 1.00 14.29 O HETATM 2152 O HOH 45 -29.910 -13.846 -21.465 1.00 21.26 O HETATM 2153 O HOH 46 -27.655 16.591 -12.869 1.00 20.80 O HETATM 2154 O HOH 47 -31.258 -2.512 -19.678 1.00 10.36 O HETATM 2155 O HOH 48 -42.376 7.567 -13.033 1.00 28.59 O HETATM 2156 O HOH 49 -11.696 -9.244 -27.098 1.00 19.37 O HETATM 2157 O HOH 50 -15.196 -3.668 -36.499 1.00 12.87 O HETATM 2158 O HOH 51 -23.137 -1.373 -38.607 1.00 12.51 O HETATM 2159 O HOH 52 -18.854 10.188 -29.143 1.00 11.85 O HETATM 2160 O HOH 53 -32.326 -12.660 -21.059 1.00 23.47 O HETATM 2161 O HOH 54 -22.602 -11.539 -26.727 1.00 11.28 O HETATM 2162 O HOH 55 -17.952 -2.266 -39.514 1.00 13.83 O HETATM 2163 O HOH 56 -27.530 4.325 -37.763 1.00 20.24 O HETATM 2164 O HOH 57 -21.051 14.149 -10.808 1.00 8.29 O HETATM 2165 O HOH 58 -26.942 15.340 -29.203 1.00 30.55 O HETATM 2166 O HOH 59 -39.332 6.836 -20.176 1.00 32.98 O HETATM 2167 O HOH 60 -40.628 -1.248 -20.253 1.00 21.42 O HETATM 2168 O HOH 61 -8.770 6.793 -30.450 1.00 33.13 O HETATM 2169 O HOH 62 -30.709 -14.123 -27.166 1.00 34.40 O HETATM 2170 O HOH 63 -31.567 -9.490 -41.493 1.00 40.43 O HETATM 2171 O HOH 64 -36.663 -1.820 -28.516 1.00 11.49 O HETATM 2172 O HOH 65 -18.587 -14.176 -11.106 1.00 29.60 O HETATM 2173 O HOH 66 -9.846 7.915 -17.085 1.00 32.61 O HETATM 2174 O HOH 67 -36.781 -10.462 -22.702 1.00 36.99 O HETATM 2175 O HOH 68 -28.312 -19.744 -11.922 1.00 37.79 O HETATM 2176 O HOH 69 -38.283 4.028 -27.487 1.00 26.84 O HETATM 2177 O HOH 70 -10.926 13.178 -20.267 1.00 19.35 O HETATM 2178 O HOH 71 -13.308 0.446 -35.726 1.00 21.42 O HETATM 2179 O HOH 72 -18.958 -8.660 -37.854 1.00 10.82 O HETATM 2180 O HOH 73 -29.657 15.675 -27.252 1.00 36.36 O HETATM 2181 O HOH 74 -28.018 -18.545 -15.990 1.00 22.53 O HETATM 2182 O HOH 75 -33.683 -10.973 -23.415 1.00 18.45 O HETATM 2183 O HOH 76 -15.766 20.733 -12.033 1.00 26.44 O HETATM 2184 O HOH 77 -17.036 20.541 -18.137 1.00 17.72 O HETATM 2185 O HOH 78 -17.183 2.122 -38.280 1.00 13.14 O HETATM 2186 O HOH 79 -20.046 14.841 -29.355 1.00 18.57 O HETATM 2187 O HOH 80 -20.704 -15.666 -16.419 1.00 18.33 O HETATM 2188 O HOH 81 -30.553 -17.002 -14.398 1.00 25.12 O HETATM 2189 O HOH 82 -40.501 -0.347 -17.669 1.00 24.33 O HETATM 2190 O HOH 83 -8.702 10.416 -14.109 1.00 33.71 O HETATM 2191 O HOH 84 -28.852 -13.063 -30.075 1.00 27.15 O HETATM 2192 O HOH 85 -31.708 4.871 -35.191 1.00 29.32 O HETATM 2193 O HOH 86 -12.194 -3.763 -33.201 1.00 16.22 O HETATM 2194 O HOH 87 -29.906 -1.091 -21.662 1.00 9.72 O HETATM 2195 O HOH 88 -36.115 -9.688 -34.226 1.00 36.94 O HETATM 2196 O HOH 89 -20.636 -16.110 -13.568 1.00 33.33 O HETATM 2197 O HOH 90 -24.693 -0.504 -42.997 1.00 25.99 O HETATM 2198 O HOH 91 -11.270 -6.957 -22.910 1.00 26.29 O HETATM 2199 O HOH 92 -32.664 14.937 -11.483 1.00 30.73 O HETATM 2200 O HOH 93 -40.075 -3.894 -20.311 1.00 16.21 O HETATM 2201 O HOH 94 -21.365 0.246 -39.871 1.00 16.89 O HETATM 2202 O HOH 95 -6.475 -5.194 -23.820 1.00 40.50 O HETATM 2203 O HOH 96 -28.565 -3.035 -45.511 1.00 39.03 O HETATM 2204 O HOH 97 -38.540 5.784 -22.692 1.00 38.96 O HETATM 2205 O HOH 98 -21.420 -10.012 -35.310 1.00 33.24 O HETATM 2206 O HOH 99 -7.739 0.376 -20.180 1.00 23.98 O HETATM 2207 O HOH 100 -16.377 -10.771 -34.068 1.00 16.67 O HETATM 2208 O HOH 101 -22.908 -9.241 -40.677 1.00 19.16 O HETATM 2209 O HOH 102 -31.235 -13.103 -31.207 1.00 34.53 O HETATM 2210 O HOH 103 -22.193 -13.343 -28.801 1.00 31.31 O HETATM 2211 O HOH 104 -35.162 -8.098 -31.005 1.00 12.85 O HETATM 2212 O HOH 105 -21.935 18.014 -23.729 1.00 20.74 O HETATM 2213 O HOH 106 -19.010 -12.399 -34.509 1.00 31.18 O HETATM 2214 O HOH 107 -22.343 17.239 -25.904 1.00 37.47 O HETATM 2215 O HOH 108 -18.592 0.339 -39.855 1.00 11.96 O HETATM 2216 O HOH 109 -9.100 6.253 -19.114 1.00 29.15 O HETATM 2217 O HOH 110 -26.427 17.414 -25.262 1.00 43.20 O HETATM 2218 O HOH 111 -13.640 -2.079 -34.689 1.00 21.91 O HETATM 2219 O HOH 112 -4.557 10.099 -23.289 1.00 34.33 O HETATM 2220 O HOH 113 -13.403 -10.568 -33.089 1.00 25.76 O HETATM 2221 O HOH 114 -32.799 -7.727 -43.395 1.00 39.36 O HETATM 2222 O HOH 115 -41.879 3.080 -21.720 1.00 41.04 O HETATM 2223 O HOH 116 -21.580 -3.963 -44.629 1.00 38.16 O HETATM 2224 O HOH 117 -20.327 18.005 -27.290 1.00 36.66 O HETATM 2225 O HOH 118 -20.487 -15.004 -27.359 1.00 41.60 O HETATM 2226 O HOH 119 -21.560 16.741 -28.843 1.00 36.21 O HETATM 2227 O HOH 120 -14.773 0.475 -38.300 1.00 17.67 O HETATM 2228 O HOH 121 -32.391 13.546 -25.092 1.00 36.88 O HETATM 2229 O HOH 122 -10.073 -2.766 -26.626 1.00 33.65 O HETATM 2230 O HOH 123 -35.106 9.805 -21.345 1.00 31.71 O HETATM 2231 O HOH 124 -19.623 -16.283 -31.317 1.00 13.97 O HETATM 2232 O HOH 125 -22.037 -0.120 -42.481 1.00 27.84 O HETATM 2233 O HOH 126 -22.652 -13.546 -32.421 1.00 32.03 O HETATM 2234 O HOH 127 -6.756 6.894 -19.378 1.00 33.96 O HETATM 2235 O HOH 128 -11.842 4.964 -32.417 1.00 29.92 O HETATM 2236 O HOH 129 -37.890 -8.741 -12.148 1.00 32.56 O HETATM 2237 O HOH 130 -30.604 -4.973 -45.389 1.00 37.22 O HETATM 2238 O HOH 131 -23.539 -11.618 -33.971 1.00 35.98 O HETATM 2239 O HOH 132 -12.962 20.941 -20.634 1.00 21.78 O HETATM 2240 O HOH 133 -10.720 -10.017 -29.759 1.00 33.78 O HETATM 2241 O HOH 134 -19.558 20.050 -23.185 1.00 27.72 O HETATM 2242 O HOH 135 -17.110 21.378 -20.696 1.00 17.97 O HETATM 2243 O HOH 136 -24.408 16.593 -31.482 1.00 42.70 O HETATM 2244 O HOH 137 -37.210 -11.112 -32.967 1.00 37.97 O HETATM 2245 O HOH 138 -22.057 -13.862 -25.256 1.00 29.17 O HETATM 2246 O HOH 139 -18.062 20.853 -25.250 1.00 15.11 O HETATM 2247 O HOH 140 -17.448 0.636 -42.358 1.00 22.85 O HETATM 2248 O HOH 141 -22.112 15.216 -32.614 1.00 18.77 O HETATM 2249 O HOH 142 -12.507 -4.111 0.165 1.00 41.20 O HETATM 2250 O HOH 143 -12.440 11.830 -8.611 1.00 36.35 O HETATM 2251 O HOH 144 -11.488 -10.367 -9.929 1.00 25.11 O HETATM 2252 O HOH 145 -13.359 17.113 -13.575 1.00 18.91 O HETATM 2253 O HOH 146 -10.104 -0.660 1.686 1.00 33.55 O HETATM 2254 O HOH 147 -35.033 -10.392 -7.053 1.00 34.35 O HETATM 2255 O HOH 148 -37.532 0.224 -2.491 1.00 31.21 O HETATM 2256 O HOH 149 -41.393 6.063 -5.764 1.00 33.27 O HETATM 2257 O HOH 150 -22.401 7.732 -3.017 1.00 22.72 O HETATM 2258 O HOH 151 -15.491 -17.515 -1.148 1.00 11.31 O HETATM 2259 O HOH 152 -9.485 -1.388 10.587 1.00 38.19 O HETATM 2260 O HOH 153 -35.012 3.978 -0.172 1.00 32.65 O HETATM 2261 O HOH 154 -11.048 -8.559 -20.857 1.00 36.21 O HETATM 2262 O HOH 155 -12.036 -4.556 11.206 1.00 17.86 O HETATM 2263 O HOH 156 -13.504 13.146 -19.570 1.00 10.63 O HETATM 2264 O HOH 157 -4.045 -13.455 -14.159 1.00 42.29 O HETATM 2265 O HOH 158 -14.069 -12.128 -11.937 1.00 14.74 O HETATM 2266 O HOH 159 -12.459 16.638 -20.047 1.00 17.80 O HETATM 2267 O HOH 160 -9.929 8.510 -14.679 1.00 24.34 O HETATM 2268 O HOH 161 -29.136 8.972 4.843 1.00 26.44 O HETATM 2269 O HOH 162 -41.248 9.445 -7.338 1.00 35.46 O HETATM 2270 O HOH 163 -19.248 4.770 -9.148 1.00 6.76 O HETATM 2271 O HOH 164 -14.759 3.818 -11.117 1.00 14.47 O HETATM 2272 O HOH 165 -11.915 0.766 0.126 1.00 11.55 O HETATM 2273 O HOH 166 -38.631 3.668 -4.533 1.00 22.79 O HETATM 2274 O HOH 167 -6.571 4.910 -14.277 1.00 25.03 O HETATM 2275 O HOH 168 -34.509 -5.955 -11.909 1.00 11.19 O HETATM 2276 O HOH 169 -24.864 -14.144 -4.478 1.00 10.47 O HETATM 2277 O HOH 170 -14.261 13.064 -8.360 1.00 29.60 O HETATM 2278 O HOH 171 -26.895 -13.970 -8.357 1.00 26.07 O HETATM 2279 O HOH 172 -13.481 18.869 -17.029 1.00 22.55 O HETATM 2280 O HOH 173 -37.955 12.672 -11.609 1.00 28.54 O HETATM 2281 O HOH 174 -27.143 16.043 -5.510 1.00 30.81 O HETATM 2282 O HOH 175 -25.237 -8.736 5.530 1.00 15.59 O HETATM 2283 O HOH 176 -26.987 2.925 4.370 1.00 17.63 O HETATM 2284 O HOH 177 -30.642 15.800 -16.763 1.00 21.61 O HETATM 2285 O HOH 178 -7.936 5.477 -1.311 1.00 37.77 O HETATM 2286 O HOH 179 -37.712 -3.273 -13.345 1.00 25.51 O HETATM 2287 O HOH 180 -27.916 12.359 3.607 1.00 24.77 O HETATM 2288 O HOH 181 -30.709 5.569 0.562 1.00 15.50 O HETATM 2289 O HOH 182 -42.212 10.152 -16.407 1.00 35.77 O HETATM 2290 O HOH 183 -14.860 -8.906 -4.492 1.00 10.88 O HETATM 2291 O HOH 184 -42.647 -4.947 -8.047 1.00 38.18 O HETATM 2292 O HOH 185 -16.016 -12.823 2.012 1.00 21.96 O HETATM 2293 O HOH 186 -21.419 -1.867 7.757 1.00 9.08 O HETATM 2294 O HOH 187 -18.061 -8.407 5.655 1.00 14.07 O HETATM 2295 O HOH 188 -32.532 3.891 -1.027 1.00 12.95 O HETATM 2296 O HOH 189 -8.638 -4.553 -17.997 1.00 32.75 O HETATM 2297 O HOH 190 -18.942 2.933 14.164 1.00 22.90 O HETATM 2298 O HOH 191 -5.574 1.365 -7.658 1.00 31.85 O HETATM 2299 O HOH 192 -33.749 9.401 -18.978 1.00 11.52 O HETATM 2300 O HOH 193 -30.473 12.987 -0.104 1.00 27.25 O HETATM 2301 O HOH 194 -33.564 -2.481 2.290 1.00 21.86 O HETATM 2302 O HOH 195 -40.430 -2.092 -16.218 1.00 29.54 O HETATM 2303 O HOH 196 -32.666 -6.773 2.374 1.00 29.02 O HETATM 2304 O HOH 197 -19.960 13.833 -8.187 1.00 9.34 O HETATM 2305 O HOH 198 -23.343 4.406 6.017 1.00 13.02 O HETATM 2306 O HOH 199 -13.190 11.533 -5.360 1.00 15.15 O HETATM 2307 O HOH 200 -25.188 10.335 -3.775 1.00 16.08 O HETATM 2308 O HOH 201 -43.193 -0.249 -6.338 1.00 37.90 O HETATM 2309 O HOH 202 -16.504 -10.225 4.149 1.00 13.75 O HETATM 2310 O HOH 203 -10.822 -4.240 4.137 1.00 35.23 O HETATM 2311 O HOH 204 -40.283 -5.445 -8.313 1.00 27.08 O HETATM 2312 O HOH 205 -8.060 2.371 -18.296 1.00 14.61 O HETATM 2313 O HOH 206 -20.919 -0.841 12.495 1.00 22.79 O HETATM 2314 O HOH 207 -8.577 3.972 -3.123 1.00 22.00 O HETATM 2315 O HOH 208 -28.033 13.787 1.072 1.00 30.06 O HETATM 2316 O HOH 209 -22.344 5.283 9.059 1.00 13.54 O HETATM 2317 O HOH 210 -20.336 6.459 -4.180 1.00 8.96 O HETATM 2318 O HOH 211 -23.193 -7.761 9.263 1.00 15.45 O HETATM 2319 O HOH 212 -11.840 7.890 -2.046 1.00 8.99 O HETATM 2320 O HOH 213 -21.085 10.553 -7.475 1.00 20.38 O HETATM 2321 O HOH 214 -9.683 11.813 -12.580 1.00 24.02 O HETATM 2322 O HOH 215 -40.537 1.211 -9.927 1.00 15.09 O HETATM 2323 O HOH 216 -10.343 7.372 1.971 1.00 19.29 O HETATM 2324 O HOH 217 -13.881 -13.128 -15.048 1.00 19.42 O HETATM 2325 O HOH 218 -40.896 10.897 -11.404 1.00 24.17 O HETATM 2326 O HOH 219 -6.527 -9.955 -15.617 1.00 29.20 O HETATM 2327 O HOH 220 -8.823 -6.134 -1.703 1.00 27.39 O HETATM 2328 O HOH 221 -13.067 7.389 2.307 1.00 9.17 O HETATM 2329 O HOH 222 -25.296 -1.495 10.142 1.00 37.13 O HETATM 2330 O HOH 223 -28.113 -3.350 7.836 1.00 21.35 O HETATM 2331 O HOH 224 -7.247 -0.857 -7.421 1.00 19.10 O HETATM 2332 O HOH 225 -35.251 13.737 -19.464 1.00 19.56 O HETATM 2333 O HOH 226 -24.648 13.994 -2.944 1.00 14.34 O HETATM 2334 O HOH 227 -29.254 -7.215 5.360 1.00 36.34 O HETATM 2335 O HOH 228 -17.139 -13.316 -9.094 1.00 19.21 O HETATM 2336 O HOH 229 -12.677 10.273 -3.084 1.00 10.85 O HETATM 2337 O HOH 230 -6.831 -11.543 -20.299 1.00 40.50 O HETATM 2338 O HOH 231 -21.816 10.197 -5.052 1.00 24.80 O HETATM 2339 O HOH 232 -31.216 -15.461 -7.017 1.00 38.70 O HETATM 2340 O HOH 233 -37.027 12.357 -18.470 1.00 37.73 O HETATM 2341 O HOH 234 -16.750 3.480 -8.953 1.00 8.26 O HETATM 2342 O HOH 235 -35.657 1.317 -1.144 1.00 28.92 O HETATM 2343 O HOH 236 -8.629 -11.163 -7.080 1.00 37.65 O HETATM 2344 O HOH 237 -44.206 -1.861 -14.866 1.00 37.76 O HETATM 2345 O HOH 238 -34.556 8.272 -0.660 1.00 30.48 O HETATM 2346 O HOH 239 -5.851 -7.182 -17.006 1.00 39.50 O HETATM 2347 O HOH 240 -27.940 -10.924 2.193 1.00 14.03 O HETATM 2348 O HOH 241 -32.251 14.233 -6.586 1.00 33.88 O HETATM 2349 O HOH 242 -24.121 4.007 3.408 1.00 14.65 O HETATM 2350 O HOH 243 -25.905 18.118 -17.728 1.00 30.88 O HETATM 2351 O HOH 244 -35.442 12.055 -5.844 1.00 23.36 O HETATM 2352 O HOH 245 -34.204 -10.314 -10.659 1.00 25.01 O HETATM 2353 O HOH 246 -37.042 -4.854 -11.356 1.00 30.08 O HETATM 2354 O HOH 247 -14.553 5.964 10.850 1.00 42.19 O HETATM 2355 O HOH 248 -28.541 15.768 -2.076 1.00 32.82 O HETATM 2356 O HOH 249 -23.463 -2.471 9.356 1.00 24.18 O HETATM 2357 O HOH 250 -43.727 -6.474 -10.916 1.00 33.81 O HETATM 2358 O HOH 251 -25.664 5.246 7.610 1.00 31.47 O HETATM 2359 O HOH 252 -26.840 3.215 9.031 1.00 27.84 O HETATM 2360 O HOH 253 -27.799 -8.823 3.958 1.00 22.66 O HETATM 2361 O HOH 254 -14.373 -13.373 -9.526 1.00 17.80 O HETATM 2362 O HOH 255 -13.705 8.429 -0.121 1.00 8.18 O HETATM 2363 O HOH 256 -12.842 18.859 -9.373 1.00 36.80 O HETATM 2364 O HOH 257 -42.329 8.409 -10.449 1.00 37.35 O HETATM 2365 O HOH 258 -41.631 2.450 -8.326 1.00 36.94 O HETATM 2366 O HOH 259 -29.163 -14.580 -5.114 1.00 38.16 O HETATM 2367 O HOH 260 -28.697 -10.609 -4.819 1.00 30.35 O HETATM 2368 O HOH 261 -27.650 5.228 5.243 1.00 34.30 O HETATM 2369 O HOH 262 -40.602 13.252 -15.134 1.00 40.01 O HETATM 2370 O HOH 263 -30.391 -11.863 -4.117 1.00 36.37 O HETATM 2371 O HOH 264 -13.807 7.145 6.694 1.00 13.86 O HETATM 2372 O HOH 265 -10.992 -2.845 1.247 1.00 34.65 O HETATM 2373 O HOH 266 -9.454 7.732 -0.955 1.00 23.37 O HETATM 2374 O HOH 267 -27.385 -12.912 -5.628 1.00 26.38 O HETATM 2375 O HOH 268 -8.479 -10.158 -4.440 1.00 35.92 O HETATM 2376 O HOH 269 -13.252 -10.916 -5.296 1.00 16.99 O HETATM 2377 O HOH 270 -28.386 9.727 7.378 1.00 29.07 O HETATM 2378 O HOH 271 -24.628 6.868 9.683 1.00 25.28 O HETATM 2379 O HOH 272 -20.052 5.221 13.163 1.00 20.65 O HETATM 2380 O HOH 273 -15.818 6.735 8.614 1.00 24.55 O HETATM 2381 O HOH 274 -20.349 6.340 10.636 1.00 21.26 O HETATM 2382 O HOH 275 -12.655 -11.900 -7.898 1.00 20.95 O HETATM 2383 O HOH 276 -30.364 -12.241 1.329 1.00 37.56 O HETATM 2384 O3P UNN A 277 -30.455 3.901 -22.546 1.00 -0.61 O HETATM 2385 P UNN A 277 -31.200 4.015 -23.840 1.00 0.20 P HETATM 2386 O2P UNN A 277 -32.046 2.849 -24.267 1.00 -0.61 O HETATM 2387 O5' UNN A 277 -30.093 4.363 -24.933 1.00 -0.26 O HETATM 2388 C5' UNN A 277 -30.289 4.085 -26.308 1.00 0.11 C HETATM 2389 C4' UNN A 277 -29.309 4.971 -27.054 1.00 0.12 C HETATM 2390 C3' UNN A 277 -29.701 6.458 -27.087 1.00 0.12 C HETATM 2391 O3' UNN A 277 -28.732 7.276 -26.405 1.00 -0.39 O HETATM 2392 H5 UNN A 277 -27.886 7.179 -26.825 1.00 0.21 H HETATM 2393 C2' UNN A 277 -29.780 6.766 -28.582 1.00 0.14 C HETATM 2394 O2' UNN A 277 -29.325 8.076 -28.962 1.00 -0.38 O HETATM 2395 H7 UNN A 277 -28.414 8.179 -28.712 1.00 0.21 H HETATM 2396 C1' UNN A 277 -28.923 5.664 -29.184 1.00 0.20 C HETATM 2397 O4' UNN A 277 -29.247 4.522 -28.405 1.00 -0.34 O HETATM 2398 N9 UNN A 277 -29.229 5.348 -30.587 1.00 -0.19 N HETATM 2399 C4 UNN A 277 -28.295 5.158 -31.503 1.00 0.16 C HETATM 2400 C5 UNN A 277 -29.019 4.847 -32.730 1.00 0.10 C HETATM 2401 N7 UNN A 277 -30.324 4.891 -32.443 1.00 -0.30 N HETATM 2402 C8 UNN A 277 -30.445 5.173 -31.128 1.00 0.11 C HETATM 2403 H9 UNN A 277 -31.387 5.247 -30.587 1.00 0.13 H HETATM 2404 C6 UNN A 277 -28.220 4.603 -33.933 1.00 0.13 C HETATM 2405 N1 UNN A 277 -26.884 4.669 -33.803 1.00 -0.27 N HETATM 2406 C2 UNN A 277 -26.287 4.965 -32.632 1.00 0.05 C HETATM 2407 N3 UNN A 277 -26.948 5.218 -31.490 1.00 -0.27 N HETATM 2408 H10 UNN A 277 -25.204 5.001 -32.610 1.00 0.10 H HETATM 2409 N6 UNN A 277 -28.816 4.322 -35.118 1.00 -0.32 N HETATM 2410 H11 UNN A 277 -28.242 4.153 -35.956 1.00 0.18 H HETATM 2411 H12 UNN A 277 -29.843 4.278 -35.180 1.00 0.18 H HETATM 2412 H8 UNN A 277 -27.858 5.924 -29.094 1.00 0.10 H HETATM 2413 H6 UNN A 277 -30.821 6.664 -28.923 1.00 0.07 H HETATM 2414 H4 UNN A 277 -30.683 6.608 -26.614 1.00 0.06 H HETATM 2415 H3 UNN A 277 -28.321 4.876 -26.581 1.00 0.07 H HETATM 2416 H1 UNN A 277 -31.322 4.323 -26.603 1.00 0.07 H HETATM 2417 H2 UNN A 277 -30.083 3.025 -26.517 1.00 0.07 H HETATM 2418 N2 UNN A 277 -32.240 5.393 -23.843 1.00 -0.25 N HETATM 2419 C3 UNN A 277 -31.597 6.691 -23.716 1.00 0.13 C HETATM 2420 C7 UNN A 277 -32.241 7.687 -24.607 1.00 0.26 C HETATM 2421 O10 UNN A 277 -31.631 8.678 -24.971 1.00 -0.37 O HETATM 2422 O11 UNN A 277 -33.615 7.497 -24.986 1.00 -0.28 O HETATM 2423 C12 UNN A 277 -34.622 8.337 -24.424 1.00 0.07 C HETATM 2424 H18 UNN A 277 -35.605 8.050 -24.825 1.00 0.06 H HETATM 2425 H19 UNN A 277 -34.412 9.385 -24.684 1.00 0.06 H HETATM 2426 H20 UNN A 277 -34.625 8.224 -23.330 1.00 0.06 H HETATM 2427 C9 UNN A 277 -31.675 7.199 -22.281 1.00 -0.03 C HETATM 2428 H15 UNN A 277 -31.183 8.180 -22.212 1.00 0.03 H HETATM 2429 H16 UNN A 277 -31.169 6.487 -21.612 1.00 0.03 H HETATM 2430 H17 UNN A 277 -32.729 7.296 -21.983 1.00 0.03 H HETATM 2431 H14 UNN A 277 -30.540 6.587 -24.001 1.00 0.08 H HETATM 2432 H13 UNN A 277 -33.232 5.303 -23.928 1.00 0.17 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1062 1063 1066 1067 1068 CONECT 1066 1062 CONECT 1067 1062 CONECT 1068 1062 CONECT 2384 2385 CONECT 2385 2384 2386 2387 2418 CONECT 2386 2385 CONECT 2387 2385 2388 CONECT 2388 2387 2389 2416 2417 CONECT 2389 2388 2390 2397 2415 CONECT 2390 2389 2391 2393 2414 CONECT 2391 2390 2392 CONECT 2392 2391 CONECT 2393 2390 2394 2396 2413 CONECT 2394 2393 2395 CONECT 2395 2394 CONECT 2396 2393 2397 2398 2412 CONECT 2397 2389 2396 CONECT 2398 2396 2399 2402 CONECT 2399 2398 2400 2407 CONECT 2400 2399 2401 2404 CONECT 2401 2400 2402 CONECT 2402 2398 2401 2403 CONECT 2403 2402 CONECT 2404 2400 2405 2409 CONECT 2405 2404 2406 CONECT 2406 2405 2407 2408 CONECT 2407 2399 2406 CONECT 2408 2406 CONECT 2409 2404 2410 2411 CONECT 2410 2409 CONECT 2411 2409 CONECT 2412 2396 CONECT 2413 2393 CONECT 2414 2390 CONECT 2415 2389 CONECT 2416 2388 CONECT 2417 2388 CONECT 2418 2385 2419 2432 CONECT 2419 2418 2420 2427 2431 CONECT 2420 2419 2421 2422 CONECT 2421 2420 CONECT 2422 2420 2423 CONECT 2423 2422 2424 2425 2426 CONECT 2424 2423 CONECT 2425 2423 CONECT 2426 2423 CONECT 2427 2419 2428 2429 2430 CONECT 2428 2427 CONECT 2429 2427 CONECT 2430 2427 CONECT 2431 2419 CONECT 2432 2418 MASTER 0 0 0 0 0 0 0 0 2430 2 57 18 END
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Related entries of code: 5wa9
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Protein Sequence Similarity
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129aa, >5KM0_1|Chains... at 100%
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RCSB PDB
PDBbind
129aa, >5KM3_1|Chains... at 100%
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RCSB PDB
PDBbind
129aa, >6N3Y_1|Chains... at 100%
6n3x
RCSB PDB
PDBbind
129aa, >6N3X_1|Chains... at 100%
6n3w
RCSB PDB
PDBbind
129aa, >6N3W_1|Chains... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5wa9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histidine triad nucleotide-binding protein 1
Ligand Name
9ZD
EC.Number
E.C.-.-.-.-
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Kd=0.175uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula
C
1
4
H
2
2
N
6
O
8
P
Molecular Weight
433.334
Exact Mass
433.124
No. of atoms
51
No. of bonds
53
Polar Surface Area
220.92
LOGP Value
-3.06 (
Computed with XLOGP3
)
-1.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
Canonical SMILES
COC(=O)[C@H](NP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)(O)O)C
InChI String
InChI=1S/C14H23N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,19,21-22,24-25,29H,3H2,1-2H3,(H2,15,16,17)/t6-,7-,9-,10-,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P49773
Entrez Gene ID
NCBI Entrez Gene ID:
3094
ASD
Information of known allosteric effects of PDB entries
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