Browse entries in the PDBbind-CN Database
HEADER 5KLY_COMPLEX COMPND 5KLY_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 540 57 ATOM 1 N ARG A 12 -33.088 -13.670 -35.849 1.00 38.60 N ATOM 2 CA ARG A 12 -31.803 -13.264 -36.404 1.00 27.52 C ATOM 3 C ARG A 12 -30.810 -12.980 -35.286 1.00 34.86 C ATOM 4 O ARG A 12 -31.191 -12.454 -34.235 1.00 35.37 O ATOM 5 CB ARG A 12 -31.970 -12.027 -37.290 1.00 35.14 C ATOM 6 HN3 ARG A 12 -33.461 -12.907 -35.248 1.00 0.00 H ATOM 7 HN2 ARG A 12 -32.962 -14.531 -35.280 1.00 0.00 H ATOM 8 HN1 ARG A 12 -33.755 -13.860 -36.624 1.00 0.00 H ATOM 9 N PRO A 13 -29.542 -13.332 -35.501 1.00 22.08 N ATOM 10 CA PRO A 13 -28.524 -13.063 -34.477 1.00 24.31 C ATOM 11 C PRO A 13 -28.471 -11.575 -34.176 1.00 25.58 C ATOM 12 O PRO A 13 -28.167 -10.757 -35.048 1.00 18.32 O ATOM 13 CB PRO A 13 -27.226 -13.568 -35.120 1.00 24.26 C ATOM 14 CG PRO A 13 -27.502 -13.591 -36.585 1.00 21.53 C ATOM 15 CD PRO A 13 -28.961 -13.897 -36.731 1.00 23.30 C ATOM 16 N GLY A 14 -28.819 -11.226 -32.937 1.00 22.62 N ATOM 17 CA GLY A 14 -28.870 -9.853 -32.489 1.00 23.15 C ATOM 18 C GLY A 14 -30.271 -9.295 -32.331 1.00 12.94 C ATOM 19 O GLY A 14 -30.436 -8.275 -31.648 1.00 22.86 O ATOM 20 H GLY A 14 -29.065 -11.977 -32.261 1.00 0.00 H ATOM 21 N GLY A 15 -31.277 -9.921 -32.943 1.00 19.84 N ATOM 22 CA GLY A 15 -32.632 -9.397 -32.914 1.00 22.93 C ATOM 23 C GLY A 15 -32.848 -8.301 -33.946 1.00 15.45 C ATOM 24 O GLY A 15 -31.963 -7.952 -34.722 1.00 10.77 O ATOM 25 H GLY A 15 -31.087 -10.807 -33.454 1.00 0.00 H ATOM 26 N ASP A 16 -34.066 -7.744 -33.959 1.00 15.90 N ATOM 27 CA ASP A 16 -34.403 -6.717 -34.935 1.00 20.69 C ATOM 28 C ASP A 16 -34.572 -5.327 -34.325 1.00 8.67 C ATOM 29 O ASP A 16 -35.086 -4.434 -35.005 1.00 10.61 O ATOM 30 CB ASP A 16 -35.614 -7.095 -35.797 1.00 18.54 C ATOM 31 CG ASP A 16 -35.292 -8.159 -36.850 1.00 14.40 C ATOM 32 OD1 ASP A 16 -34.172 -8.158 -37.408 1.00 17.26 O ATOM 33 OD2 ASP A 16 -36.174 -8.999 -37.116 1.00 15.82 O ATOM 34 H ASP A 16 -34.778 -8.048 -33.265 1.00 0.00 H ATOM 35 N THR A 17 -34.125 -5.102 -33.082 1.00 8.37 N ATOM 36 CA THR A 17 -33.961 -3.713 -32.680 1.00 6.47 C ATOM 37 C THR A 17 -32.898 -3.074 -33.564 1.00 7.00 C ATOM 38 O THR A 17 -32.148 -3.749 -34.273 1.00 5.82 O ATOM 39 CB THR A 17 -33.519 -3.555 -31.219 1.00 8.02 C ATOM 40 OG1 THR A 17 -32.138 -3.933 -31.079 1.00 11.51 O ATOM 41 CG2 THR A 17 -34.403 -4.359 -30.266 1.00 9.93 C ATOM 42 HG1 THR A 17 -32.026 -4.878 -31.353 1.00 0.00 H ATOM 43 H THR A 17 -33.905 -5.885 -32.434 1.00 0.00 H ATOM 44 N ILE A 18 -32.848 -1.741 -33.515 1.00 6.62 N ATOM 45 CA ILE A 18 -31.830 -0.993 -34.248 1.00 7.91 C ATOM 46 C ILE A 18 -30.434 -1.513 -33.934 1.00 6.82 C ATOM 47 O ILE A 18 -29.568 -1.560 -34.815 1.00 8.04 O ATOM 48 CB ILE A 18 -31.974 0.516 -33.954 1.00 9.45 C ATOM 49 CG1 ILE A 18 -33.256 1.064 -34.588 1.00 18.17 C ATOM 50 CG2 ILE A 18 -30.745 1.297 -34.425 1.00 13.79 C ATOM 51 CD1 ILE A 18 -33.444 0.679 -36.044 1.00 17.07 C ATOM 52 H ILE A 18 -33.547 -1.225 -32.944 1.00 0.00 H ATOM 53 N PHE A 19 -30.201 -1.943 -32.692 1.00 6.71 N ATOM 54 CA PHE A 19 -28.878 -2.438 -32.323 1.00 6.05 C ATOM 55 C PHE A 19 -28.590 -3.791 -32.967 1.00 7.65 C ATOM 56 O PHE A 19 -27.449 -4.068 -33.354 1.00 6.40 O ATOM 57 CB PHE A 19 -28.720 -2.482 -30.802 1.00 6.32 C ATOM 58 CG PHE A 19 -28.723 -1.120 -30.147 1.00 5.16 C ATOM 59 CD1 PHE A 19 -28.648 0.041 -30.904 1.00 6.06 C ATOM 60 CD2 PHE A 19 -28.797 -1.007 -28.771 1.00 6.61 C ATOM 61 CE1 PHE A 19 -28.657 1.293 -30.291 1.00 6.76 C ATOM 62 CE2 PHE A 19 -28.807 0.244 -28.159 1.00 7.87 C ATOM 63 CZ PHE A 19 -28.737 1.387 -28.921 1.00 6.36 C ATOM 64 H PHE A 19 -30.964 -1.925 -31.985 1.00 0.00 H ATOM 65 N GLY A 20 -29.604 -4.647 -33.103 1.00 7.09 N ATOM 66 CA GLY A 20 -29.411 -5.875 -33.864 1.00 9.51 C ATOM 67 C GLY A 20 -29.070 -5.598 -35.316 1.00 8.59 C ATOM 68 O GLY A 20 -28.202 -6.256 -35.902 1.00 10.94 O ATOM 69 H GLY A 20 -30.526 -4.440 -32.669 1.00 0.00 H ATOM 70 N LYS A 21 -29.730 -4.600 -35.910 1.00 8.58 N ATOM 71 CA LYS A 21 -29.403 -4.187 -37.271 1.00 10.07 C ATOM 72 C LYS A 21 -27.963 -3.695 -37.362 1.00 9.41 C ATOM 73 O LYS A 21 -27.249 -4.009 -38.323 1.00 10.32 O ATOM 74 CB LYS A 21 -30.352 -3.071 -37.725 1.00 12.23 C ATOM 75 CG LYS A 21 -31.845 -3.348 -37.543 1.00 19.31 C ATOM 76 CD LYS A 21 -32.388 -4.288 -38.600 1.00 15.99 C ATOM 77 CE LYS A 21 -32.285 -3.705 -40.002 1.00 14.65 C ATOM 78 NZ LYS A 21 -32.534 -4.788 -40.990 1.00 13.77 N ATOM 79 HZ1 LYS A 21 -31.824 -5.538 -40.866 1.00 0.00 H ATOM 80 HZ2 LYS A 21 -33.485 -5.181 -40.840 1.00 0.00 H ATOM 81 HZ3 LYS A 21 -32.466 -4.400 -41.952 1.00 0.00 H ATOM 82 H LYS A 21 -30.489 -4.110 -35.395 1.00 0.00 H ATOM 83 N ILE A 22 -27.527 -2.902 -36.379 1.00 7.00 N ATOM 84 CA ILE A 22 -26.153 -2.401 -36.370 1.00 7.37 C ATOM 85 C ILE A 22 -25.162 -3.556 -36.261 1.00 7.45 C ATOM 86 O ILE A 22 -24.152 -3.593 -36.975 1.00 6.63 O ATOM 87 CB ILE A 22 -25.973 -1.362 -35.247 1.00 6.43 C ATOM 88 CG1 ILE A 22 -26.661 -0.039 -35.616 1.00 8.21 C ATOM 89 CG2 ILE A 22 -24.491 -1.146 -34.933 1.00 7.16 C ATOM 90 CD1 ILE A 22 -26.644 1.009 -34.498 1.00 6.62 C ATOM 91 H ILE A 22 -28.174 -2.637 -35.609 1.00 0.00 H ATOM 92 N ILE A 23 -25.451 -4.528 -35.389 1.00 5.53 N ATOM 93 CA ILE A 23 -24.578 -5.692 -35.226 1.00 6.73 C ATOM 94 C ILE A 23 -24.371 -6.411 -36.555 1.00 7.95 C ATOM 95 O ILE A 23 -23.256 -6.841 -36.876 1.00 7.34 O ATOM 96 CB ILE A 23 -25.130 -6.637 -34.140 1.00 5.57 C ATOM 97 CG1 ILE A 23 -24.977 -6.003 -32.750 1.00 7.16 C ATOM 98 CG2 ILE A 23 -24.454 -8.012 -34.230 1.00 8.49 C ATOM 99 CD1 ILE A 23 -25.857 -6.629 -31.683 1.00 8.26 C ATOM 100 H ILE A 23 -26.315 -4.455 -34.814 1.00 0.00 H ATOM 101 N ARG A 24 -25.436 -6.560 -37.340 1.00 7.63 N ATOM 102 CA ARG A 24 -25.372 -7.272 -38.610 1.00 7.51 C ATOM 103 C ARG A 24 -24.985 -6.375 -39.784 1.00 8.93 C ATOM 104 O ARG A 24 -25.095 -6.806 -40.937 1.00 10.22 O ATOM 105 CB ARG A 24 -26.692 -8.002 -38.883 1.00 11.10 C ATOM 106 CG ARG A 24 -26.975 -9.134 -37.894 1.00 9.39 C ATOM 107 CD ARG A 24 -28.156 -9.992 -38.335 1.00 10.87 C ATOM 108 NE ARG A 24 -29.333 -9.168 -38.586 1.00 10.87 N ATOM 109 CZ ARG A 24 -30.207 -8.790 -37.658 1.00 11.21 C ATOM 110 NH1 ARG A 24 -30.065 -9.181 -36.398 1.00 11.77 N ATOM 111 NH2 ARG A 24 -31.237 -8.026 -37.991 1.00 16.01 N ATOM 112 HE ARG A 24 -29.501 -8.853 -39.563 1.00 0.00 H ATOM 113 HH12 ARG A 24 -30.754 -8.880 -35.679 1.00 0.00 H ATOM 114 HH11 ARG A 24 -29.265 -9.788 -36.129 1.00 0.00 H ATOM 115 HH22 ARG A 24 -31.921 -7.730 -37.266 1.00 0.00 H ATOM 116 HH21 ARG A 24 -31.362 -7.722 -38.978 1.00 0.00 H ATOM 117 H ARG A 24 -26.344 -6.155 -37.037 1.00 0.00 H ATOM 118 N LYS A 25 -24.523 -5.152 -39.523 1.00 7.69 N ATOM 119 CA LYS A 25 -24.055 -4.233 -40.558 1.00 8.75 C ATOM 120 C LYS A 25 -25.166 -3.825 -41.519 1.00 9.40 C ATOM 121 O LYS A 25 -24.890 -3.463 -42.665 1.00 10.49 O ATOM 122 CB LYS A 25 -22.849 -4.781 -41.349 1.00 11.67 C ATOM 123 CG LYS A 25 -21.773 -5.492 -40.529 1.00 8.94 C ATOM 124 CD LYS A 25 -21.080 -4.530 -39.592 1.00 9.02 C ATOM 125 CE LYS A 25 -19.923 -5.197 -38.842 1.00 7.46 C ATOM 126 NZ LYS A 25 -19.322 -4.232 -37.895 1.00 7.05 N ATOM 127 HZ1 LYS A 25 -18.964 -3.409 -38.421 1.00 0.00 H ATOM 128 HZ2 LYS A 25 -20.043 -3.922 -37.213 1.00 0.00 H ATOM 129 HZ3 LYS A 25 -18.537 -4.689 -37.388 1.00 0.00 H ATOM 130 H LYS A 25 -24.494 -4.836 -38.533 1.00 0.00 H ATOM 131 N GLU A 26 -26.424 -3.886 -41.085 1.00 8.64 N ATOM 132 CA GLU A 26 -27.546 -3.523 -41.944 1.00 8.58 C ATOM 133 C GLU A 26 -27.906 -2.054 -41.834 1.00 9.98 C ATOM 134 O GLU A 26 -28.585 -1.520 -42.720 1.00 13.78 O ATOM 135 CB GLU A 26 -28.763 -4.390 -41.601 1.00 8.82 C ATOM 136 CG GLU A 26 -28.523 -5.863 -41.915 1.00 10.43 C ATOM 137 CD GLU A 26 -29.449 -6.814 -41.171 1.00 10.80 C ATOM 138 OE1 GLU A 26 -30.310 -6.351 -40.394 1.00 12.55 O ATOM 139 OE2 GLU A 26 -29.299 -8.046 -41.351 1.00 13.61 O ATOM 140 H GLU A 26 -26.611 -4.200 -40.111 1.00 0.00 H ATOM 141 N ILE A 27 -27.458 -1.404 -40.766 1.00 11.13 N ATOM 142 CA ILE A 27 -27.648 0.017 -40.505 1.00 13.19 C ATOM 143 C ILE A 27 -26.276 0.547 -40.109 1.00 9.81 C ATOM 144 O ILE A 27 -25.542 -0.145 -39.388 1.00 11.51 O ATOM 145 CB ILE A 27 -28.690 0.214 -39.392 1.00 21.65 C ATOM 146 CG1 ILE A 27 -30.104 0.215 -39.983 1.00 21.27 C ATOM 147 CG2 ILE A 27 -28.419 1.468 -38.578 1.00 21.34 C ATOM 148 CD1 ILE A 27 -31.176 0.481 -38.956 1.00 27.77 C ATOM 149 H ILE A 27 -26.929 -1.953 -40.059 1.00 0.00 H ATOM 150 N PRO A 28 -25.884 1.743 -40.542 1.00 11.10 N ATOM 151 CA PRO A 28 -24.511 2.197 -40.303 1.00 11.73 C ATOM 152 C PRO A 28 -24.274 2.643 -38.870 1.00 9.94 C ATOM 153 O PRO A 28 -25.181 3.078 -38.155 1.00 10.52 O ATOM 154 CB PRO A 28 -24.358 3.381 -41.266 1.00 16.89 C ATOM 155 CG PRO A 28 -25.741 3.908 -41.421 1.00 19.52 C ATOM 156 CD PRO A 28 -26.653 2.707 -41.350 1.00 14.60 C ATOM 157 N ALA A 29 -23.014 2.533 -38.463 1.00 8.48 N ATOM 158 CA ALA A 29 -22.595 2.975 -37.148 1.00 5.85 C ATOM 159 C ALA A 29 -21.130 3.367 -37.223 1.00 6.89 C ATOM 160 O ALA A 29 -20.391 2.925 -38.109 1.00 8.13 O ATOM 161 CB ALA A 29 -22.817 1.881 -36.097 1.00 9.05 C ATOM 162 H ALA A 29 -22.309 2.118 -39.106 1.00 0.00 H ATOM 163 N LYS A 30 -20.719 4.216 -36.289 1.00 6.26 N ATOM 164 CA LYS A 30 -19.324 4.625 -36.156 1.00 6.01 C ATOM 165 C LYS A 30 -18.726 3.746 -35.064 1.00 5.12 C ATOM 166 O LYS A 30 -18.861 4.030 -33.869 1.00 5.41 O ATOM 167 CB LYS A 30 -19.217 6.111 -35.827 1.00 6.00 C ATOM 168 CG LYS A 30 -19.859 7.024 -36.875 1.00 11.62 C ATOM 169 CD LYS A 30 -19.292 6.797 -38.266 1.00 19.32 C ATOM 170 CE LYS A 30 -17.819 7.161 -38.354 1.00 23.50 C ATOM 171 NZ LYS A 30 -17.294 6.941 -39.735 1.00 28.27 N ATOM 172 HZ1 LYS A 30 -17.406 5.939 -39.992 1.00 0.00 H ATOM 173 HZ2 LYS A 30 -17.825 7.534 -40.405 1.00 0.00 H ATOM 174 HZ3 LYS A 30 -16.287 7.197 -39.767 1.00 0.00 H ATOM 175 H LYS A 30 -21.419 4.605 -35.625 1.00 0.00 H ATOM 176 N ILE A 31 -18.077 2.669 -35.482 1.00 5.80 N ATOM 177 CA ILE A 31 -17.641 1.612 -34.578 1.00 5.50 C ATOM 178 C ILE A 31 -16.274 1.938 -34.008 1.00 6.24 C ATOM 179 O ILE A 31 -15.365 2.385 -34.720 1.00 7.69 O ATOM 180 CB ILE A 31 -17.654 0.257 -35.303 1.00 6.37 C ATOM 181 CG1 ILE A 31 -19.092 -0.070 -35.694 1.00 9.22 C ATOM 182 CG2 ILE A 31 -17.099 -0.858 -34.409 1.00 7.67 C ATOM 183 CD1 ILE A 31 -19.214 -1.220 -36.646 1.00 12.37 C ATOM 184 H ILE A 31 -17.870 2.574 -36.497 1.00 0.00 H ATOM 185 N ILE A 32 -16.145 1.727 -32.703 1.00 5.91 N ATOM 186 CA ILE A 32 -14.903 1.938 -31.978 1.00 5.90 C ATOM 187 C ILE A 32 -14.149 0.633 -31.781 1.00 7.39 C ATOM 188 O ILE A 32 -12.925 0.590 -31.910 1.00 8.83 O ATOM 189 CB ILE A 32 -15.226 2.581 -30.611 1.00 5.78 C ATOM 190 CG1 ILE A 32 -15.934 3.926 -30.789 1.00 6.91 C ATOM 191 CG2 ILE A 32 -13.963 2.705 -29.766 1.00 7.81 C ATOM 192 CD1 ILE A 32 -16.769 4.309 -29.584 1.00 5.68 C ATOM 193 H ILE A 32 -16.975 1.394 -32.173 1.00 0.00 H ATOM 194 N PHE A 33 -14.876 -0.426 -31.443 1.00 5.41 N ATOM 195 CA PHE A 33 -14.280 -1.714 -31.124 1.00 5.50 C ATOM 196 C PHE A 33 -15.317 -2.795 -31.371 1.00 5.18 C ATOM 197 O PHE A 33 -16.515 -2.579 -31.175 1.00 5.84 O ATOM 198 CB PHE A 33 -13.837 -1.767 -29.657 1.00 8.05 C ATOM 199 CG PHE A 33 -13.314 -3.108 -29.244 1.00 7.72 C ATOM 200 CD1 PHE A 33 -14.119 -4.000 -28.561 1.00 6.77 C ATOM 201 CD2 PHE A 33 -12.027 -3.488 -29.588 1.00 12.62 C ATOM 202 CE1 PHE A 33 -13.637 -5.250 -28.202 1.00 8.48 C ATOM 203 CE2 PHE A 33 -11.541 -4.735 -29.233 1.00 15.13 C ATOM 204 CZ PHE A 33 -12.347 -5.610 -28.537 1.00 11.31 C ATOM 205 H PHE A 33 -15.911 -0.331 -31.405 1.00 0.00 H ATOM 206 N GLU A 34 -14.846 -3.963 -31.801 1.00 6.16 N ATOM 207 CA GLU A 34 -15.734 -5.090 -32.045 1.00 4.77 C ATOM 208 C GLU A 34 -15.007 -6.376 -31.686 1.00 5.46 C ATOM 209 O GLU A 34 -13.851 -6.559 -32.078 1.00 7.64 O ATOM 210 CB GLU A 34 -16.159 -5.138 -33.518 1.00 5.95 C ATOM 211 CG GLU A 34 -17.088 -6.295 -33.821 1.00 5.68 C ATOM 212 CD GLU A 34 -17.796 -6.161 -35.152 1.00 5.44 C ATOM 213 OE1 GLU A 34 -17.571 -5.169 -35.879 1.00 5.84 O ATOM 214 OE2 GLU A 34 -18.579 -7.076 -35.474 1.00 5.43 O ATOM 215 H GLU A 34 -13.825 -4.072 -31.966 1.00 0.00 H ATOM 216 N ASP A 35 -15.674 -7.260 -30.948 1.00 5.04 N ATOM 217 CA ASP A 35 -15.175 -8.622 -30.760 1.00 6.66 C ATOM 218 C ASP A 35 -16.335 -9.601 -30.904 1.00 5.42 C ATOM 219 O ASP A 35 -17.427 -9.245 -31.343 1.00 6.32 O ATOM 220 CB ASP A 35 -14.309 -8.779 -29.497 1.00 5.75 C ATOM 221 CG ASP A 35 -15.098 -8.654 -28.193 1.00 6.37 C ATOM 222 OD1 ASP A 35 -16.344 -8.749 -28.191 1.00 5.43 O ATOM 223 OD2 ASP A 35 -14.437 -8.490 -27.146 1.00 8.34 O ATOM 224 H ASP A 35 -16.567 -6.977 -30.496 1.00 0.00 H ATOM 225 N ASP A 36 -16.098 -10.865 -30.546 1.00 6.74 N ATOM 226 CA ASP A 36 -17.132 -11.882 -30.709 1.00 8.20 C ATOM 227 C ASP A 36 -18.288 -11.713 -29.733 1.00 6.99 C ATOM 228 O ASP A 36 -19.362 -12.284 -29.957 1.00 8.20 O ATOM 229 CB ASP A 36 -16.525 -13.268 -30.491 1.00 8.14 C ATOM 230 CG ASP A 36 -15.885 -13.403 -29.128 1.00 8.48 C ATOM 231 OD1 ASP A 36 -14.844 -12.749 -28.909 1.00 11.73 O ATOM 232 OD2 ASP A 36 -16.413 -14.161 -28.295 1.00 9.46 O ATOM 233 H ASP A 36 -15.173 -11.126 -30.149 1.00 0.00 H ATOM 234 N ARG A 37 -18.094 -10.948 -28.656 1.00 6.11 N ATOM 235 CA ARG A 37 -19.104 -10.798 -27.617 1.00 6.09 C ATOM 236 C ARG A 37 -19.824 -9.460 -27.629 1.00 5.84 C ATOM 237 O ARG A 37 -20.935 -9.378 -27.096 1.00 5.84 O ATOM 238 CB ARG A 37 -18.483 -10.989 -26.224 1.00 6.25 C ATOM 239 CG ARG A 37 -18.291 -12.440 -25.804 1.00 7.28 C ATOM 240 CD ARG A 37 -16.989 -12.602 -25.032 1.00 9.15 C ATOM 241 NE ARG A 37 -15.837 -12.511 -25.923 1.00 8.68 N ATOM 242 CZ ARG A 37 -14.603 -12.219 -25.531 1.00 9.58 C ATOM 243 NH1 ARG A 37 -14.351 -11.967 -24.252 1.00 11.97 N ATOM 244 NH2 ARG A 37 -13.619 -12.171 -26.417 1.00 15.48 N ATOM 245 HE ARG A 37 -15.994 -12.687 -26.936 1.00 0.00 H ATOM 246 HH12 ARG A 37 -13.383 -11.739 -23.948 1.00 0.00 H ATOM 247 HH11 ARG A 37 -15.122 -11.998 -23.554 1.00 0.00 H ATOM 248 HH22 ARG A 37 -12.652 -11.942 -26.109 1.00 0.00 H ATOM 249 HH21 ARG A 37 -13.813 -12.362 -27.421 1.00 0.00 H ATOM 250 H ARG A 37 -17.191 -10.442 -28.555 1.00 0.00 H ATOM 251 N CYS A 38 -19.231 -8.416 -28.202 1.00 5.06 N ATOM 252 CA CYS A 38 -19.783 -7.080 -28.015 1.00 4.12 C ATOM 253 C CYS A 38 -19.329 -6.142 -29.120 1.00 4.39 C ATOM 254 O CYS A 38 -18.455 -6.460 -29.934 1.00 5.34 O ATOM 255 CB CYS A 38 -19.417 -6.520 -26.628 1.00 5.16 C ATOM 256 SG CYS A 38 -17.689 -6.012 -26.484 1.00 6.47 S ATOM 257 H CYS A 38 -18.378 -8.552 -28.781 1.00 0.00 H ATOM 258 N LEU A 39 -19.922 -4.951 -29.097 1.00 4.51 N ATOM 259 CA LEU A 39 -19.677 -3.916 -30.084 1.00 3.98 C ATOM 260 C LEU A 39 -19.737 -2.575 -29.368 1.00 3.95 C ATOM 261 O LEU A 39 -20.665 -2.341 -28.588 1.00 4.42 O ATOM 262 CB LEU A 39 -20.781 -3.954 -31.146 1.00 5.98 C ATOM 263 CG LEU A 39 -20.606 -3.010 -32.327 1.00 5.20 C ATOM 264 CD1 LEU A 39 -19.499 -3.513 -33.234 1.00 6.55 C ATOM 265 CD2 LEU A 39 -21.907 -2.857 -33.085 1.00 7.13 C ATOM 266 H LEU A 39 -20.597 -4.751 -28.331 1.00 0.00 H ATOM 267 N ALA A 40 -18.774 -1.692 -29.640 1.00 4.04 N ATOM 268 CA ALA A 40 -18.776 -0.335 -29.099 1.00 4.20 C ATOM 269 C ALA A 40 -18.869 0.648 -30.259 1.00 3.40 C ATOM 270 O ALA A 40 -18.127 0.521 -31.243 1.00 4.94 O ATOM 271 CB ALA A 40 -17.513 -0.056 -28.280 1.00 5.94 C ATOM 272 H ALA A 40 -17.992 -1.981 -30.261 1.00 0.00 H ATOM 273 N PHE A 41 -19.775 1.620 -30.159 1.00 3.82 N ATOM 274 CA PHE A 41 -20.024 2.542 -31.262 1.00 3.67 C ATOM 275 C PHE A 41 -20.568 3.842 -30.691 1.00 4.40 C ATOM 276 O PHE A 41 -21.150 3.862 -29.603 1.00 4.00 O ATOM 277 CB PHE A 41 -20.996 1.941 -32.303 1.00 4.75 C ATOM 278 CG PHE A 41 -22.337 1.550 -31.742 1.00 4.46 C ATOM 279 CD1 PHE A 41 -23.428 2.398 -31.857 1.00 4.86 C ATOM 280 CD2 PHE A 41 -22.507 0.334 -31.096 1.00 6.37 C ATOM 281 CE1 PHE A 41 -24.669 2.036 -31.340 1.00 5.57 C ATOM 282 CE2 PHE A 41 -23.745 -0.033 -30.574 1.00 6.79 C ATOM 283 CZ PHE A 41 -24.824 0.822 -30.695 1.00 5.75 C ATOM 284 H PHE A 41 -20.316 1.724 -29.277 1.00 0.00 H ATOM 285 N HIS A 42 -20.395 4.929 -31.442 1.00 4.15 N ATOM 286 CA HIS A 42 -20.765 6.250 -30.944 1.00 3.82 C ATOM 287 C HIS A 42 -22.274 6.457 -30.946 1.00 4.16 C ATOM 288 O HIS A 42 -22.984 6.010 -31.854 1.00 4.48 O ATOM 289 CB HIS A 42 -20.087 7.334 -31.768 1.00 3.98 C ATOM 290 CG HIS A 42 -18.609 7.367 -31.579 1.00 4.39 C ATOM 291 ND1 HIS A 42 -18.016 8.031 -30.527 1.00 5.23 N ATOM 292 CD2 HIS A 42 -17.607 6.784 -32.276 1.00 4.99 C ATOM 293 CE1 HIS A 42 -16.706 7.877 -30.600 1.00 5.62 C ATOM 294 NE2 HIS A 42 -16.432 7.121 -31.648 1.00 5.84 N ATOM 295 H HIS A 42 -19.991 4.835 -32.396 1.00 0.00 H ATOM 296 N ASP A 43 -22.763 7.157 -29.925 1.00 4.15 N ATOM 297 CA ASP A 43 -24.184 7.465 -29.843 1.00 4.16 C ATOM 298 C ASP A 43 -24.548 8.568 -30.836 1.00 4.90 C ATOM 299 O ASP A 43 -23.841 9.571 -30.958 1.00 7.02 O ATOM 300 CB ASP A 43 -24.520 7.909 -28.417 1.00 4.14 C ATOM 301 CG ASP A 43 -25.997 7.830 -28.112 1.00 5.14 C ATOM 302 OD1 ASP A 43 -26.780 8.595 -28.727 1.00 6.15 O ATOM 303 OD2 ASP A 43 -26.372 7.015 -27.241 1.00 5.64 O ATOM 304 H ASP A 43 -22.122 7.488 -29.176 1.00 0.00 H ATOM 305 N ILE A 44 -25.680 8.387 -31.523 1.00 5.53 N ATOM 306 CA ILE A 44 -26.141 9.338 -32.532 1.00 7.51 C ATOM 307 C ILE A 44 -26.665 10.633 -31.921 1.00 6.15 C ATOM 308 O ILE A 44 -26.764 11.649 -32.620 1.00 7.68 O ATOM 309 CB ILE A 44 -27.195 8.648 -33.424 1.00 10.50 C ATOM 310 CG1 ILE A 44 -27.367 9.380 -34.754 1.00 18.65 C ATOM 311 CG2 ILE A 44 -28.516 8.526 -32.704 1.00 9.91 C ATOM 312 CD1 ILE A 44 -28.241 8.624 -35.736 1.00 21.53 C ATOM 313 H ILE A 44 -26.253 7.540 -31.333 1.00 0.00 H ATOM 314 N SER A 45 -27.006 10.625 -30.635 1.00 5.88 N ATOM 315 CA SER A 45 -27.498 11.808 -29.927 1.00 6.59 C ATOM 316 C SER A 45 -26.631 12.019 -28.692 1.00 5.00 C ATOM 317 O SER A 45 -27.068 11.792 -27.557 1.00 5.68 O ATOM 318 CB SER A 45 -28.973 11.642 -29.558 1.00 6.73 C ATOM 319 OG SER A 45 -29.787 11.569 -30.722 1.00 7.50 O ATOM 320 HG SER A 45 -29.683 12.401 -31.248 1.00 0.00 H ATOM 321 H SER A 45 -26.919 9.734 -30.106 1.00 0.00 H ATOM 322 N PRO A 46 -25.384 12.444 -28.882 1.00 5.10 N ATOM 323 CA PRO A 46 -24.448 12.506 -27.748 1.00 6.17 C ATOM 324 C PRO A 46 -24.866 13.521 -26.698 1.00 6.09 C ATOM 325 O PRO A 46 -25.313 14.630 -27.010 1.00 8.33 O ATOM 326 CB PRO A 46 -23.118 12.897 -28.405 1.00 6.94 C ATOM 327 CG PRO A 46 -23.528 13.621 -29.665 1.00 8.19 C ATOM 328 CD PRO A 46 -24.768 12.903 -30.137 1.00 6.26 C ATOM 329 N GLN A 47 -24.711 13.118 -25.438 1.00 5.26 N ATOM 330 CA GLN A 47 -25.012 13.954 -24.284 1.00 5.27 C ATOM 331 C GLN A 47 -23.758 14.501 -23.626 1.00 5.34 C ATOM 332 O GLN A 47 -23.848 15.180 -22.596 1.00 6.23 O ATOM 333 CB GLN A 47 -25.812 13.149 -23.261 1.00 5.86 C ATOM 334 CG GLN A 47 -27.082 12.562 -23.834 1.00 7.43 C ATOM 335 CD GLN A 47 -28.057 13.626 -24.279 1.00 6.37 C ATOM 336 OE1 GLN A 47 -28.456 14.481 -23.489 1.00 9.58 O ATOM 337 NE2 GLN A 47 -28.448 13.587 -25.550 1.00 8.13 N ATOM 338 HE22 GLN A 47 -28.085 12.846 -26.183 1.00 0.00 H ATOM 339 HE21 GLN A 47 -29.117 14.297 -25.910 1.00 0.00 H ATOM 340 H GLN A 47 -24.356 12.155 -25.269 1.00 0.00 H ATOM 341 N ALA A 48 -22.597 14.205 -24.186 1.00 5.42 N ATOM 342 CA ALA A 48 -21.322 14.712 -23.716 1.00 5.83 C ATOM 343 C ALA A 48 -20.392 14.756 -24.916 1.00 6.13 C ATOM 344 O ALA A 48 -20.691 14.151 -25.955 1.00 5.74 O ATOM 345 CB ALA A 48 -20.743 13.810 -22.617 1.00 6.14 C ATOM 346 H ALA A 48 -22.598 13.572 -25.011 1.00 0.00 H ATOM 347 N PRO A 49 -19.276 15.476 -24.818 1.00 4.71 N ATOM 348 CA PRO A 49 -18.365 15.558 -25.969 1.00 5.95 C ATOM 349 C PRO A 49 -17.954 14.203 -26.524 1.00 5.91 C ATOM 350 O PRO A 49 -17.804 14.064 -27.745 1.00 7.00 O ATOM 351 CB PRO A 49 -17.192 16.375 -25.411 1.00 5.31 C ATOM 352 CG PRO A 49 -17.848 17.288 -24.416 1.00 5.71 C ATOM 353 CD PRO A 49 -18.900 16.424 -23.752 1.00 6.50 C ATOM 354 N THR A 50 -17.763 13.202 -25.669 1.00 3.94 N ATOM 355 CA THR A 50 -17.646 11.811 -26.082 1.00 4.27 C ATOM 356 C THR A 50 -18.789 11.028 -25.447 1.00 4.28 C ATOM 357 O THR A 50 -19.013 11.114 -24.231 1.00 4.65 O ATOM 358 CB THR A 50 -16.287 11.230 -25.677 1.00 5.76 C ATOM 359 OG1 THR A 50 -15.245 11.910 -26.394 1.00 6.95 O ATOM 360 CG2 THR A 50 -16.204 9.747 -26.020 1.00 6.81 C ATOM 361 HG1 THR A 50 -15.271 12.875 -26.175 1.00 0.00 H ATOM 362 H THR A 50 -17.694 13.424 -24.655 1.00 0.00 H ATOM 363 N HIS A 51 -19.523 10.282 -26.264 1.00 3.99 N ATOM 364 CA HIS A 51 -20.645 9.498 -25.757 1.00 4.00 C ATOM 365 C HIS A 51 -20.786 8.299 -26.680 1.00 3.62 C ATOM 366 O HIS A 51 -21.176 8.443 -27.847 1.00 3.64 O ATOM 367 CB HIS A 51 -21.919 10.341 -25.724 1.00 3.87 C ATOM 368 CG HIS A 51 -23.129 9.621 -25.216 1.00 3.79 C ATOM 369 ND1 HIS A 51 -24.358 10.239 -25.145 1.00 5.11 N ATOM 370 CD2 HIS A 51 -23.310 8.360 -24.747 1.00 3.63 C ATOM 371 CE1 HIS A 51 -25.247 9.389 -24.664 1.00 4.55 C ATOM 372 NE2 HIS A 51 -24.639 8.241 -24.414 1.00 4.10 N ATOM 373 H HIS A 51 -19.296 10.256 -27.278 1.00 0.00 H ATOM 374 N PHE A 52 -20.452 7.121 -26.168 1.00 3.12 N ATOM 375 CA PHE A 52 -20.555 5.904 -26.948 1.00 3.45 C ATOM 376 C PHE A 52 -21.294 4.831 -26.157 1.00 2.98 C ATOM 377 O PHE A 52 -21.566 4.970 -24.957 1.00 3.45 O ATOM 378 CB PHE A 52 -19.189 5.428 -27.481 1.00 4.29 C ATOM 379 CG PHE A 52 -18.198 5.017 -26.413 1.00 3.89 C ATOM 380 CD1 PHE A 52 -18.118 3.695 -25.996 1.00 4.09 C ATOM 381 CD2 PHE A 52 -17.319 5.940 -25.866 1.00 4.38 C ATOM 382 CE1 PHE A 52 -17.196 3.306 -25.038 1.00 4.50 C ATOM 383 CE2 PHE A 52 -16.393 5.554 -24.901 1.00 4.69 C ATOM 384 CZ PHE A 52 -16.336 4.235 -24.494 1.00 4.97 C ATOM 385 H PHE A 52 -20.109 7.070 -25.187 1.00 0.00 H ATOM 386 N LEU A 53 -21.653 3.764 -26.863 1.00 3.50 N ATOM 387 CA LEU A 53 -22.403 2.653 -26.307 1.00 3.92 C ATOM 388 C LEU A 53 -21.592 1.377 -26.460 1.00 3.42 C ATOM 389 O LEU A 53 -20.877 1.194 -27.451 1.00 4.44 O ATOM 390 CB LEU A 53 -23.727 2.470 -27.065 1.00 4.31 C ATOM 391 CG LEU A 53 -24.602 3.722 -27.145 1.00 4.06 C ATOM 392 CD1 LEU A 53 -25.828 3.436 -28.003 1.00 9.17 C ATOM 393 CD2 LEU A 53 -25.009 4.202 -25.765 1.00 7.74 C ATOM 394 H LEU A 53 -21.382 3.723 -27.866 1.00 0.00 H ATOM 395 N VAL A 54 -21.721 0.482 -25.485 1.00 3.10 N ATOM 396 CA VAL A 54 -21.181 -0.871 -25.589 1.00 3.36 C ATOM 397 C VAL A 54 -22.349 -1.829 -25.436 1.00 4.11 C ATOM 398 O VAL A 54 -23.075 -1.770 -24.432 1.00 4.44 O ATOM 399 CB VAL A 54 -20.091 -1.159 -24.544 1.00 3.90 C ATOM 400 CG1 VAL A 54 -19.403 -2.483 -24.862 1.00 6.20 C ATOM 401 CG2 VAL A 54 -19.071 -0.028 -24.490 1.00 5.29 C ATOM 402 H VAL A 54 -22.225 0.755 -24.617 1.00 0.00 H ATOM 403 N ILE A 55 -22.534 -2.704 -26.422 1.00 3.97 N ATOM 404 CA ILE A 55 -23.681 -3.611 -26.417 1.00 3.67 C ATOM 405 C ILE A 55 -23.217 -5.052 -26.590 1.00 3.75 C ATOM 406 O ILE A 55 -22.208 -5.302 -27.261 1.00 4.50 O ATOM 407 CB ILE A 55 -24.712 -3.247 -27.502 1.00 3.92 C ATOM 408 CG1 ILE A 55 -24.162 -3.485 -28.911 1.00 4.52 C ATOM 409 CG2 ILE A 55 -25.197 -1.812 -27.337 1.00 4.84 C ATOM 410 CD1 ILE A 55 -25.212 -3.292 -29.999 1.00 7.52 C ATOM 411 H ILE A 55 -21.853 -2.743 -27.207 1.00 0.00 H ATOM 412 N PRO A 56 -23.916 -6.020 -26.010 1.00 4.87 N ATOM 413 CA PRO A 56 -23.622 -7.420 -26.325 1.00 4.48 C ATOM 414 C PRO A 56 -24.102 -7.757 -27.723 1.00 5.67 C ATOM 415 O PRO A 56 -25.080 -7.198 -28.228 1.00 5.27 O ATOM 416 CB PRO A 56 -24.447 -8.192 -25.294 1.00 5.70 C ATOM 417 CG PRO A 56 -25.612 -7.276 -24.996 1.00 9.98 C ATOM 418 CD PRO A 56 -25.044 -5.875 -25.073 1.00 5.27 C ATOM 419 N LYS A 57 -23.400 -8.696 -28.355 1.00 5.12 N ATOM 420 CA LYS A 57 -23.915 -9.246 -29.607 1.00 5.34 C ATOM 421 C LYS A 57 -25.084 -10.191 -29.353 1.00 6.32 C ATOM 422 O LYS A 57 -26.020 -10.251 -30.162 1.00 8.58 O ATOM 423 CB LYS A 57 -22.797 -9.921 -30.410 1.00 6.91 C ATOM 424 CG LYS A 57 -21.818 -8.922 -31.011 1.00 6.19 C ATOM 425 CD LYS A 57 -20.811 -9.581 -31.937 1.00 7.31 C ATOM 426 CE LYS A 57 -20.034 -8.522 -32.713 1.00 5.92 C ATOM 427 NZ LYS A 57 -18.999 -9.109 -33.627 1.00 6.68 N ATOM 428 HZ1 LYS A 57 -18.315 -9.658 -33.067 1.00 0.00 H ATOM 429 HZ2 LYS A 57 -19.462 -9.732 -34.318 1.00 0.00 H ATOM 430 HZ3 LYS A 57 -18.504 -8.342 -34.126 1.00 0.00 H ATOM 431 H LYS A 57 -22.498 -9.033 -27.963 1.00 0.00 H ATOM 432 N LYS A 58 -25.051 -10.922 -28.240 1.00 7.13 N ATOM 433 CA LYS A 58 -26.207 -11.691 -27.795 1.00 6.85 C ATOM 434 C LYS A 58 -27.330 -10.732 -27.428 1.00 7.29 C ATOM 435 O LYS A 58 -27.130 -9.793 -26.653 1.00 7.53 O ATOM 436 CB LYS A 58 -25.827 -12.519 -26.567 1.00 9.98 C ATOM 437 CG LYS A 58 -26.981 -13.304 -25.946 1.00 11.20 C ATOM 438 CD LYS A 58 -26.576 -13.982 -24.628 1.00 12.62 C ATOM 439 CE LYS A 58 -27.772 -14.642 -23.967 1.00 14.96 C ATOM 440 NZ LYS A 58 -27.354 -15.403 -22.754 1.00 16.46 N ATOM 441 HZ1 LYS A 58 -26.672 -16.139 -23.026 1.00 0.00 H ATOM 442 HZ2 LYS A 58 -26.911 -14.753 -22.074 1.00 0.00 H ATOM 443 HZ3 LYS A 58 -28.189 -15.845 -22.319 1.00 0.00 H ATOM 444 H LYS A 58 -24.179 -10.945 -27.674 1.00 0.00 H ATOM 445 N HIS A 59 -28.515 -10.949 -27.980 1.00 8.04 N ATOM 446 CA HIS A 59 -29.621 -10.068 -27.648 1.00 6.33 C ATOM 447 C HIS A 59 -30.128 -10.374 -26.246 1.00 7.10 C ATOM 448 O HIS A 59 -30.527 -11.504 -25.953 1.00 8.26 O ATOM 449 CB HIS A 59 -30.760 -10.210 -28.647 1.00 7.23 C ATOM 450 CG HIS A 59 -31.965 -9.423 -28.254 1.00 7.63 C ATOM 451 ND1 HIS A 59 -31.999 -8.044 -28.293 1.00 8.12 N ATOM 452 CD2 HIS A 59 -33.155 -9.815 -27.741 1.00 7.72 C ATOM 453 CE1 HIS A 59 -33.174 -7.624 -27.859 1.00 8.16 C ATOM 454 NE2 HIS A 59 -33.893 -8.679 -27.516 1.00 9.47 N ATOM 455 H HIS A 59 -28.651 -11.739 -28.642 1.00 0.00 H ATOM 456 N ILE A 60 -30.098 -9.362 -25.386 1.00 6.69 N ATOM 457 CA ILE A 60 -30.754 -9.353 -24.084 1.00 5.54 C ATOM 458 C ILE A 60 -31.570 -8.074 -24.056 1.00 5.34 C ATOM 459 O ILE A 60 -31.033 -6.995 -24.323 1.00 6.96 O ATOM 460 CB ILE A 60 -29.723 -9.349 -22.936 1.00 7.73 C ATOM 461 CG1 ILE A 60 -28.760 -10.534 -23.065 1.00 7.32 C ATOM 462 CG2 ILE A 60 -30.427 -9.344 -21.577 1.00 8.58 C ATOM 463 CD1 ILE A 60 -27.591 -10.480 -22.102 1.00 11.27 C ATOM 464 H ILE A 60 -29.566 -8.512 -25.662 1.00 0.00 H ATOM 465 N SER A 61 -32.865 -8.181 -23.759 1.00 6.06 N ATOM 466 CA SER A 61 -33.725 -7.016 -23.957 1.00 7.15 C ATOM 467 C SER A 61 -33.435 -5.901 -22.959 1.00 6.58 C ATOM 468 O SER A 61 -33.561 -4.719 -23.298 1.00 6.63 O ATOM 469 CB SER A 61 -35.195 -7.415 -23.900 1.00 8.94 C ATOM 470 OG SER A 61 -35.530 -7.920 -22.623 1.00 12.78 O ATOM 471 HG SER A 61 -35.361 -7.224 -21.940 1.00 0.00 H ATOM 472 H SER A 61 -33.255 -9.074 -23.394 1.00 0.00 H ATOM 473 N GLN A 62 -33.046 -6.249 -21.736 1.00 5.70 N ATOM 474 CA GLN A 62 -32.887 -5.281 -20.658 1.00 6.06 C ATOM 475 C GLN A 62 -32.213 -5.986 -19.491 1.00 6.43 C ATOM 476 O GLN A 62 -32.294 -7.211 -19.351 1.00 6.30 O ATOM 477 CB GLN A 62 -34.239 -4.700 -20.226 1.00 8.01 C ATOM 478 CG GLN A 62 -35.262 -5.743 -19.805 1.00 8.18 C ATOM 479 CD GLN A 62 -36.668 -5.353 -20.211 1.00 10.66 C ATOM 480 OE1 GLN A 62 -37.169 -5.801 -21.251 1.00 13.17 O ATOM 481 NE2 GLN A 62 -37.308 -4.514 -19.410 1.00 10.05 N ATOM 482 HE22 GLN A 62 -36.846 -4.164 -18.547 1.00 0.00 H ATOM 483 HE21 GLN A 62 -38.273 -4.205 -19.645 1.00 0.00 H ATOM 484 H GLN A 62 -32.847 -7.251 -21.541 1.00 0.00 H ATOM 485 N ILE A 63 -31.550 -5.192 -18.648 1.00 6.49 N ATOM 486 CA ILE A 63 -30.776 -5.773 -17.556 1.00 5.49 C ATOM 487 C ILE A 63 -31.660 -6.582 -16.606 1.00 6.02 C ATOM 488 O ILE A 63 -31.215 -7.593 -16.048 1.00 6.83 O ATOM 489 CB ILE A 63 -29.932 -4.685 -16.851 1.00 6.69 C ATOM 490 CG1 ILE A 63 -28.962 -5.314 -15.853 1.00 9.23 C ATOM 491 CG2 ILE A 63 -30.810 -3.660 -16.168 1.00 8.32 C ATOM 492 CD1 ILE A 63 -27.957 -6.230 -16.499 1.00 14.46 C ATOM 493 H ILE A 63 -31.585 -4.160 -18.769 1.00 0.00 H ATOM 494 N SER A 64 -32.930 -6.189 -16.433 1.00 6.06 N ATOM 495 CA SER A 64 -33.783 -6.898 -15.481 1.00 7.05 C ATOM 496 C SER A 64 -34.023 -8.351 -15.871 1.00 8.24 C ATOM 497 O SER A 64 -34.393 -9.147 -15.001 1.00 9.16 O ATOM 498 CB SER A 64 -35.119 -6.184 -15.281 1.00 7.18 C ATOM 499 OG SER A 64 -35.894 -6.208 -16.471 1.00 7.56 O ATOM 500 HG SER A 64 -36.752 -5.740 -16.314 1.00 0.00 H ATOM 501 H SER A 64 -33.306 -5.384 -16.973 1.00 0.00 H ATOM 502 N VAL A 65 -33.816 -8.722 -17.137 1.00 8.10 N ATOM 503 CA VAL A 65 -34.027 -10.099 -17.581 1.00 7.51 C ATOM 504 C VAL A 65 -32.721 -10.837 -17.849 1.00 8.90 C ATOM 505 O VAL A 65 -32.752 -11.978 -18.319 1.00 9.10 O ATOM 506 CB VAL A 65 -34.996 -10.216 -18.774 1.00 9.32 C ATOM 507 CG1 VAL A 65 -36.306 -9.511 -18.466 1.00 12.91 C ATOM 508 CG2 VAL A 65 -34.362 -9.673 -20.053 1.00 10.93 C ATOM 509 H VAL A 65 -33.496 -8.012 -17.826 1.00 0.00 H ATOM 510 N ALA A 66 -31.570 -10.226 -17.561 1.00 6.92 N ATOM 511 CA ALA A 66 -30.305 -10.926 -17.754 1.00 6.80 C ATOM 512 C ALA A 66 -30.236 -12.169 -16.870 1.00 8.82 C ATOM 513 O ALA A 66 -30.736 -12.183 -15.740 1.00 9.37 O ATOM 514 CB ALA A 66 -29.130 -10.001 -17.444 1.00 7.93 C ATOM 515 H ALA A 66 -31.575 -9.251 -17.199 1.00 0.00 H ATOM 516 N GLU A 67 -29.620 -13.219 -17.400 1.00 9.48 N ATOM 517 CA GLU A 67 -29.515 -14.486 -16.693 1.00 10.74 C ATOM 518 C GLU A 67 -28.248 -14.521 -15.845 1.00 9.20 C ATOM 519 O GLU A 67 -27.307 -13.755 -16.060 1.00 8.65 O ATOM 520 CB GLU A 67 -29.507 -15.637 -17.696 1.00 12.47 C ATOM 521 CG GLU A 67 -30.784 -15.747 -18.520 1.00 18.25 C ATOM 522 CD GLU A 67 -30.684 -16.805 -19.601 1.00 31.07 C ATOM 523 OE1 GLU A 67 -29.883 -16.621 -20.543 1.00 36.56 O ATOM 524 OE2 GLU A 67 -31.397 -17.825 -19.500 1.00 45.93 O ATOM 525 H GLU A 67 -29.201 -13.133 -18.348 1.00 0.00 H ATOM 526 N ASP A 68 -28.233 -15.429 -14.861 1.00 10.00 N ATOM 527 CA ASP A 68 -27.062 -15.560 -13.996 1.00 10.36 C ATOM 528 C ASP A 68 -25.797 -15.810 -14.805 1.00 10.20 C ATOM 529 O ASP A 68 -24.723 -15.298 -14.469 1.00 11.53 O ATOM 530 CB ASP A 68 -27.259 -16.710 -13.008 1.00 12.15 C ATOM 531 CG ASP A 68 -28.217 -16.367 -11.882 1.00 16.43 C ATOM 532 OD1 ASP A 68 -28.846 -15.289 -11.920 1.00 12.66 O ATOM 533 OD2 ASP A 68 -28.352 -17.197 -10.956 1.00 16.93 O ATOM 534 H ASP A 68 -29.058 -16.044 -14.711 1.00 0.00 H ATOM 535 N ASP A 69 -25.898 -16.605 -15.867 1.00 8.63 N ATOM 536 CA ASP A 69 -24.725 -16.939 -16.662 1.00 11.20 C ATOM 537 C ASP A 69 -24.291 -15.806 -17.581 1.00 10.84 C ATOM 538 O ASP A 69 -23.290 -15.961 -18.287 1.00 12.85 O ATOM 539 CB ASP A 69 -24.959 -18.225 -17.461 1.00 13.54 C ATOM 540 CG ASP A 69 -25.099 -19.446 -16.573 1.00 34.00 C ATOM 541 OD1 ASP A 69 -25.977 -20.288 -16.856 1.00 44.38 O ATOM 542 OD2 ASP A 69 -24.328 -19.565 -15.595 1.00 37.73 O ATOM 543 H ASP A 69 -26.826 -16.992 -16.132 1.00 0.00 H ATOM 544 N ASP A 70 -25.014 -14.683 -17.589 1.00 7.90 N ATOM 545 CA ASP A 70 -24.613 -13.496 -18.336 1.00 8.23 C ATOM 546 C ASP A 70 -23.586 -12.643 -17.593 1.00 8.58 C ATOM 547 O ASP A 70 -23.216 -11.579 -18.094 1.00 7.23 O ATOM 548 CB ASP A 70 -25.837 -12.634 -18.683 1.00 9.36 C ATOM 549 CG ASP A 70 -26.720 -13.249 -19.753 1.00 11.11 C ATOM 550 OD1 ASP A 70 -26.187 -13.907 -20.678 1.00 12.09 O ATOM 551 OD2 ASP A 70 -27.952 -13.047 -19.685 1.00 11.01 O ATOM 552 H ASP A 70 -25.898 -14.654 -17.041 1.00 0.00 H ATOM 553 N GLU A 71 -23.105 -13.078 -16.424 1.00 7.60 N ATOM 554 CA GLU A 71 -22.221 -12.229 -15.627 1.00 7.86 C ATOM 555 C GLU A 71 -20.960 -11.855 -16.391 1.00 6.99 C ATOM 556 O GLU A 71 -20.574 -10.684 -16.430 1.00 7.03 O ATOM 557 CB GLU A 71 -21.834 -12.933 -14.327 1.00 9.05 C ATOM 558 CG GLU A 71 -22.860 -12.820 -13.245 1.00 10.31 C ATOM 559 CD GLU A 71 -22.393 -13.427 -11.938 1.00 8.01 C ATOM 560 OE1 GLU A 71 -21.268 -13.982 -11.888 1.00 10.48 O ATOM 561 OE2 GLU A 71 -23.172 -13.335 -10.974 1.00 9.66 O ATOM 562 H GLU A 71 -23.361 -14.025 -16.080 1.00 0.00 H ATOM 563 N SER A 72 -20.294 -12.839 -16.998 1.00 5.82 N ATOM 564 CA SER A 72 -19.042 -12.542 -17.685 1.00 6.46 C ATOM 565 C SER A 72 -19.262 -11.584 -18.849 1.00 6.63 C ATOM 566 O SER A 72 -18.450 -10.680 -19.079 1.00 6.47 O ATOM 567 CB SER A 72 -18.371 -13.833 -18.155 1.00 9.41 C ATOM 568 OG SER A 72 -19.164 -14.507 -19.112 1.00 14.96 O ATOM 569 HG SER A 72 -19.302 -13.920 -19.897 1.00 0.00 H ATOM 570 H SER A 72 -20.665 -13.811 -16.981 1.00 0.00 H ATOM 571 N LEU A 73 -20.360 -11.764 -19.589 1.00 5.27 N ATOM 572 CA LEU A 73 -20.661 -10.884 -20.710 1.00 6.05 C ATOM 573 C LEU A 73 -20.923 -9.458 -20.245 1.00 5.59 C ATOM 574 O LEU A 73 -20.418 -8.500 -20.839 1.00 6.74 O ATOM 575 CB LEU A 73 -21.875 -11.441 -21.445 1.00 7.04 C ATOM 576 CG LEU A 73 -22.457 -10.563 -22.547 1.00 7.37 C ATOM 577 CD1 LEU A 73 -21.422 -10.308 -23.643 1.00 9.00 C ATOM 578 CD2 LEU A 73 -23.703 -11.235 -23.110 1.00 9.68 C ATOM 579 H LEU A 73 -21.009 -12.544 -19.361 1.00 0.00 H ATOM 580 N LEU A 74 -21.703 -9.299 -19.173 1.00 5.41 N ATOM 581 CA LEU A 74 -22.001 -7.970 -18.659 1.00 5.49 C ATOM 582 C LEU A 74 -20.741 -7.283 -18.160 1.00 4.63 C ATOM 583 O LEU A 74 -20.514 -6.101 -18.445 1.00 6.08 O ATOM 584 CB LEU A 74 -23.039 -8.070 -17.543 1.00 6.75 C ATOM 585 CG LEU A 74 -24.437 -8.508 -17.982 1.00 6.77 C ATOM 586 CD1 LEU A 74 -25.316 -8.754 -16.768 1.00 8.18 C ATOM 587 CD2 LEU A 74 -25.064 -7.464 -18.893 1.00 8.89 C ATOM 588 H LEU A 74 -22.102 -10.134 -18.700 1.00 0.00 H ATOM 589 N GLY A 75 -19.897 -8.009 -17.419 1.00 5.07 N ATOM 590 CA GLY A 75 -18.629 -7.429 -17.013 1.00 6.70 C ATOM 591 C GLY A 75 -17.743 -7.081 -18.193 1.00 4.91 C ATOM 592 O GLY A 75 -17.009 -6.086 -18.157 1.00 5.83 O ATOM 593 H GLY A 75 -20.146 -8.978 -17.137 1.00 0.00 H ATOM 594 N HIS A 76 -17.802 -7.891 -19.255 1.00 5.14 N ATOM 595 CA HIS A 76 -17.017 -7.604 -20.452 1.00 5.12 C ATOM 596 C HIS A 76 -17.423 -6.276 -21.073 1.00 5.04 C ATOM 597 O HIS A 76 -16.572 -5.545 -21.593 1.00 5.78 O ATOM 598 CB HIS A 76 -17.167 -8.744 -21.457 1.00 5.90 C ATOM 599 CG HIS A 76 -16.258 -8.637 -22.641 1.00 5.16 C ATOM 600 ND1 HIS A 76 -14.885 -8.644 -22.526 1.00 7.50 N ATOM 601 CD2 HIS A 76 -16.525 -8.551 -23.966 1.00 5.96 C ATOM 602 CE1 HIS A 76 -14.344 -8.558 -23.730 1.00 7.83 C ATOM 603 NE2 HIS A 76 -15.317 -8.510 -24.620 1.00 6.44 N ATOM 604 H HIS A 76 -18.412 -8.733 -19.228 1.00 0.00 H ATOM 605 N LEU A 77 -18.716 -5.940 -21.021 1.00 4.95 N ATOM 606 CA LEU A 77 -19.141 -4.632 -21.515 1.00 6.05 C ATOM 607 C LEU A 77 -18.420 -3.510 -20.781 1.00 5.14 C ATOM 608 O LEU A 77 -17.996 -2.523 -21.398 1.00 5.33 O ATOM 609 CB LEU A 77 -20.652 -4.461 -21.366 1.00 5.83 C ATOM 610 CG LEU A 77 -21.564 -5.508 -21.994 1.00 5.94 C ATOM 611 CD1 LEU A 77 -23.010 -5.120 -21.732 1.00 9.03 C ATOM 612 CD2 LEU A 77 -21.315 -5.662 -23.487 1.00 7.75 C ATOM 613 H LEU A 77 -19.415 -6.605 -20.632 1.00 0.00 H ATOM 614 N MET A 78 -18.281 -3.641 -19.453 1.00 5.09 N ATOM 615 CA MET A 78 -17.613 -2.606 -18.669 1.00 4.87 C ATOM 616 C MET A 78 -16.116 -2.566 -18.938 1.00 5.31 C ATOM 617 O MET A 78 -15.525 -1.483 -19.008 1.00 5.33 O ATOM 618 CB MET A 78 -17.865 -2.838 -17.183 1.00 7.43 C ATOM 619 CG MET A 78 -19.198 -2.313 -16.712 1.00 8.94 C ATOM 620 SD MET A 78 -19.385 -2.524 -14.940 1.00 14.13 S ATOM 621 CE MET A 78 -19.998 -4.203 -14.936 1.00 14.90 C ATOM 622 H MET A 78 -18.653 -4.488 -18.977 1.00 0.00 H ATOM 623 N ILE A 79 -15.478 -3.733 -19.059 1.00 4.19 N ATOM 624 CA ILE A 79 -14.049 -3.759 -19.358 1.00 5.61 C ATOM 625 C ILE A 79 -13.786 -3.143 -20.724 1.00 5.31 C ATOM 626 O ILE A 79 -12.871 -2.327 -20.893 1.00 5.32 O ATOM 627 CB ILE A 79 -13.496 -5.193 -19.257 1.00 5.17 C ATOM 628 CG1 ILE A 79 -13.516 -5.687 -17.806 1.00 7.35 C ATOM 629 CG2 ILE A 79 -12.082 -5.266 -19.837 1.00 7.92 C ATOM 630 CD1 ILE A 79 -12.688 -4.836 -16.849 1.00 9.74 C ATOM 631 H ILE A 79 -16.000 -4.625 -18.940 1.00 0.00 H ATOM 632 N VAL A 80 -14.594 -3.517 -21.723 1.00 4.87 N ATOM 633 CA VAL A 80 -14.456 -2.915 -23.047 1.00 5.05 C ATOM 634 C VAL A 80 -14.739 -1.417 -22.991 1.00 5.00 C ATOM 635 O VAL A 80 -14.014 -0.611 -23.589 1.00 5.10 O ATOM 636 CB VAL A 80 -15.335 -3.652 -24.076 1.00 5.24 C ATOM 637 CG1 VAL A 80 -15.452 -2.859 -25.371 1.00 5.48 C ATOM 638 CG2 VAL A 80 -14.754 -5.031 -24.347 1.00 5.96 C ATOM 639 H VAL A 80 -15.323 -4.239 -21.556 1.00 0.00 H ATOM 640 N GLY A 81 -15.768 -1.021 -22.238 1.00 5.59 N ATOM 641 CA GLY A 81 -16.067 0.397 -22.093 1.00 5.02 C ATOM 642 C GLY A 81 -14.901 1.190 -21.537 1.00 4.71 C ATOM 643 O GLY A 81 -14.561 2.263 -22.045 1.00 5.77 O ATOM 644 H GLY A 81 -16.358 -1.727 -21.753 1.00 0.00 H ATOM 645 N LYS A 82 -14.265 0.673 -20.479 1.00 5.28 N ATOM 646 CA LYS A 82 -13.154 1.425 -19.894 1.00 5.91 C ATOM 647 C LYS A 82 -11.923 1.406 -20.798 1.00 5.18 C ATOM 648 O LYS A 82 -11.186 2.396 -20.855 1.00 6.69 O ATOM 649 CB LYS A 82 -12.857 0.967 -18.459 1.00 8.01 C ATOM 650 CG LYS A 82 -12.226 -0.405 -18.318 1.00 7.93 C ATOM 651 CD LYS A 82 -10.721 -0.303 -18.199 1.00 10.08 C ATOM 652 CE LYS A 82 -10.121 -1.641 -17.820 1.00 17.03 C ATOM 653 NZ LYS A 82 -8.646 -1.539 -17.641 1.00 18.30 N ATOM 654 HZ1 LYS A 82 -8.211 -1.220 -18.530 1.00 0.00 H ATOM 655 HZ2 LYS A 82 -8.436 -0.855 -16.886 1.00 0.00 H ATOM 656 HZ3 LYS A 82 -8.264 -2.471 -17.382 1.00 0.00 H ATOM 657 H LYS A 82 -14.554 -0.243 -20.081 1.00 0.00 H ATOM 658 N LYS A 83 -11.699 0.312 -21.534 1.00 5.28 N ATOM 659 CA LYS A 83 -10.585 0.293 -22.479 1.00 6.74 C ATOM 660 C LYS A 83 -10.821 1.268 -23.627 1.00 5.64 C ATOM 661 O LYS A 83 -9.906 2.002 -24.030 1.00 6.60 O ATOM 662 CB LYS A 83 -10.339 -1.128 -22.994 1.00 7.47 C ATOM 663 CG LYS A 83 -9.765 -2.066 -21.934 1.00 9.15 C ATOM 664 CD LYS A 83 -9.494 -3.460 -22.489 1.00 12.71 C ATOM 665 CE LYS A 83 -8.906 -4.364 -21.404 1.00 11.53 C ATOM 666 NZ LYS A 83 -8.666 -5.749 -21.899 1.00 13.66 N ATOM 667 HZ1 LYS A 83 -9.566 -6.164 -22.215 1.00 0.00 H ATOM 668 HZ2 LYS A 83 -7.998 -5.720 -22.695 1.00 0.00 H ATOM 669 HZ3 LYS A 83 -8.268 -6.326 -21.131 1.00 0.00 H ATOM 670 H LYS A 83 -12.314 -0.520 -21.434 1.00 0.00 H ATOM 671 N CYS A 84 -12.043 1.296 -24.164 1.00 5.34 N ATOM 672 CA CYS A 84 -12.361 2.258 -25.213 1.00 5.13 C ATOM 673 C CYS A 84 -12.230 3.692 -24.710 1.00 5.37 C ATOM 674 O CYS A 84 -11.763 4.572 -25.442 1.00 5.68 O ATOM 675 CB CYS A 84 -13.776 2.011 -25.729 1.00 4.91 C ATOM 676 SG CYS A 84 -13.944 0.516 -26.728 1.00 6.82 S ATOM 677 H CYS A 84 -12.770 0.630 -23.833 1.00 0.00 H ATOM 678 N ALA A 85 -12.646 3.946 -23.464 1.00 5.71 N ATOM 679 CA ALA A 85 -12.541 5.290 -22.906 1.00 5.37 C ATOM 680 C ALA A 85 -11.088 5.743 -22.849 1.00 5.89 C ATOM 681 O ALA A 85 -10.771 6.886 -23.193 1.00 6.99 O ATOM 682 CB ALA A 85 -13.175 5.334 -21.515 1.00 6.20 C ATOM 683 H ALA A 85 -13.048 3.179 -22.888 1.00 0.00 H ATOM 684 N ALA A 86 -10.188 4.848 -22.434 1.00 7.09 N ATOM 685 CA ALA A 86 -8.767 5.182 -22.427 1.00 8.40 C ATOM 686 C ALA A 86 -8.253 5.412 -23.841 1.00 8.84 C ATOM 687 O ALA A 86 -7.501 6.366 -24.089 1.00 10.61 O ATOM 688 CB ALA A 86 -7.972 4.073 -21.741 1.00 10.18 C ATOM 689 H ALA A 86 -10.501 3.909 -22.114 1.00 0.00 H ATOM 690 N ASP A 87 -8.656 4.556 -24.786 1.00 8.64 N ATOM 691 CA ASP A 87 -8.212 4.715 -26.169 1.00 7.88 C ATOM 692 C ASP A 87 -8.690 6.033 -26.768 1.00 9.15 C ATOM 693 O ASP A 87 -8.016 6.603 -27.634 1.00 11.22 O ATOM 694 CB ASP A 87 -8.696 3.538 -27.021 1.00 11.01 C ATOM 695 CG ASP A 87 -8.050 2.226 -26.624 1.00 17.40 C ATOM 696 OD1 ASP A 87 -7.014 2.260 -25.927 1.00 24.78 O ATOM 697 OD2 ASP A 87 -8.581 1.163 -27.011 1.00 31.28 O ATOM 698 H ASP A 87 -9.290 3.771 -24.535 1.00 0.00 H ATOM 699 N LEU A 88 -9.836 6.531 -26.316 1.00 7.12 N ATOM 700 CA LEU A 88 -10.392 7.796 -26.772 1.00 8.44 C ATOM 701 C LEU A 88 -9.891 8.985 -25.962 1.00 9.83 C ATOM 702 O LEU A 88 -10.382 10.103 -26.148 1.00 11.24 O ATOM 703 CB LEU A 88 -11.921 7.726 -26.746 1.00 9.56 C ATOM 704 CG LEU A 88 -12.534 6.757 -27.764 1.00 8.26 C ATOM 705 CD1 LEU A 88 -14.020 6.578 -27.509 1.00 12.69 C ATOM 706 CD2 LEU A 88 -12.281 7.246 -29.187 1.00 17.01 C ATOM 707 H LEU A 88 -10.362 5.990 -25.601 1.00 0.00 H ATOM 708 N GLY A 89 -8.925 8.772 -25.075 1.00 8.35 N ATOM 709 CA GLY A 89 -8.311 9.884 -24.374 1.00 9.88 C ATOM 710 C GLY A 89 -9.138 10.501 -23.273 1.00 9.14 C ATOM 711 O GLY A 89 -8.917 11.666 -22.938 1.00 10.51 O ATOM 712 H GLY A 89 -8.607 7.801 -24.882 1.00 0.00 H ATOM 713 N LEU A 90 -10.084 9.761 -22.687 1.00 8.16 N ATOM 714 CA LEU A 90 -10.899 10.285 -21.589 1.00 9.02 C ATOM 715 C LEU A 90 -10.152 10.189 -20.254 1.00 9.71 C ATOM 716 O LEU A 90 -10.602 9.571 -19.287 1.00 12.07 O ATOM 717 CB LEU A 90 -12.245 9.578 -21.539 1.00 7.77 C ATOM 718 CG LEU A 90 -13.054 9.723 -22.826 1.00 6.38 C ATOM 719 CD1 LEU A 90 -14.425 9.082 -22.667 1.00 9.35 C ATOM 720 CD2 LEU A 90 -13.173 11.190 -23.232 1.00 9.89 C ATOM 721 H LEU A 90 -10.245 8.789 -23.019 1.00 0.00 H ATOM 722 N ASN A 91 -8.999 10.867 -20.211 1.00 12.64 N ATOM 723 CA ASN A 91 -8.063 10.734 -19.098 1.00 11.90 C ATOM 724 C ASN A 91 -8.546 11.406 -17.818 1.00 9.48 C ATOM 725 O ASN A 91 -7.998 11.128 -16.747 1.00 14.33 O ATOM 726 CB ASN A 91 -6.675 11.253 -19.503 1.00 14.09 C ATOM 727 CG ASN A 91 -6.711 12.662 -20.086 1.00 26.02 C ATOM 728 OD1 ASN A 91 -7.359 13.559 -19.545 1.00 28.02 O ATOM 729 ND2 ASN A 91 -5.999 12.864 -21.196 1.00 24.70 N ATOM 730 HD22 ASN A 91 -5.465 12.079 -21.622 1.00 0.00 H ATOM 731 HD21 ASN A 91 -5.978 13.806 -21.636 1.00 0.00 H ATOM 732 H ASN A 91 -8.762 11.509 -20.995 1.00 0.00 H ATOM 733 N LYS A 92 -9.533 12.287 -17.901 1.00 8.14 N ATOM 734 CA LYS A 92 -10.066 12.952 -16.724 1.00 8.23 C ATOM 735 C LYS A 92 -11.266 12.232 -16.135 1.00 6.47 C ATOM 736 O LYS A 92 -11.776 12.656 -15.094 1.00 9.27 O ATOM 737 CB LYS A 92 -10.453 14.393 -17.058 1.00 11.62 C ATOM 738 H LYS A 92 -9.937 12.508 -18.834 1.00 0.00 H ATOM 739 N GLY A 93 -11.728 11.163 -16.767 1.00 6.50 N ATOM 740 CA GLY A 93 -12.797 10.348 -16.230 1.00 7.19 C ATOM 741 C GLY A 93 -13.998 10.315 -17.152 1.00 4.85 C ATOM 742 O GLY A 93 -13.992 10.865 -18.254 1.00 6.32 O ATOM 743 H GLY A 93 -11.308 10.900 -17.681 1.00 0.00 H ATOM 744 N TYR A 94 -15.040 9.636 -16.679 1.00 4.27 N ATOM 745 CA TYR A 94 -16.219 9.358 -17.493 1.00 4.24 C ATOM 746 C TYR A 94 -17.272 8.723 -16.598 1.00 3.40 C ATOM 747 O TYR A 94 -17.001 8.344 -15.456 1.00 3.54 O ATOM 748 CB TYR A 94 -15.895 8.453 -18.696 1.00 4.27 C ATOM 749 CG TYR A 94 -15.058 7.253 -18.341 1.00 4.07 C ATOM 750 CD1 TYR A 94 -15.644 6.091 -17.856 1.00 5.39 C ATOM 751 CD2 TYR A 94 -13.672 7.286 -18.474 1.00 5.21 C ATOM 752 CE1 TYR A 94 -14.872 4.982 -17.527 1.00 4.98 C ATOM 753 CE2 TYR A 94 -12.896 6.184 -18.148 1.00 5.32 C ATOM 754 CZ TYR A 94 -13.501 5.039 -17.674 1.00 5.00 C ATOM 755 OH TYR A 94 -12.746 3.934 -17.337 1.00 7.76 O ATOM 756 HH TYR A 94 -12.245 3.623 -18.132 1.00 0.00 H ATOM 757 H TYR A 94 -15.013 9.292 -15.698 1.00 0.00 H ATOM 758 N ARG A 95 -18.477 8.594 -17.136 1.00 3.74 N ATOM 759 CA ARG A 95 -19.580 7.966 -16.427 1.00 3.81 C ATOM 760 C ARG A 95 -20.151 6.853 -17.289 1.00 2.96 C ATOM 761 O ARG A 95 -20.330 7.024 -18.500 1.00 4.02 O ATOM 762 CB ARG A 95 -20.681 8.994 -16.113 1.00 4.58 C ATOM 763 CG ARG A 95 -21.908 8.388 -15.438 1.00 4.38 C ATOM 764 CD ARG A 95 -22.799 9.466 -14.851 1.00 4.41 C ATOM 765 NE ARG A 95 -22.115 10.130 -13.748 1.00 3.81 N ATOM 766 CZ ARG A 95 -22.418 11.326 -13.268 1.00 3.51 C ATOM 767 NH1 ARG A 95 -23.423 12.026 -13.786 1.00 4.31 N ATOM 768 NH2 ARG A 95 -21.707 11.812 -12.260 1.00 4.37 N ATOM 769 HE ARG A 95 -21.324 9.623 -13.302 1.00 0.00 H ATOM 770 HH12 ARG A 95 -23.655 12.965 -13.403 1.00 0.00 H ATOM 771 HH11 ARG A 95 -23.977 11.635 -14.574 1.00 0.00 H ATOM 772 HH22 ARG A 95 -21.931 12.750 -11.870 1.00 0.00 H ATOM 773 HH21 ARG A 95 -20.925 11.255 -11.859 1.00 0.00 H ATOM 774 H ARG A 95 -18.639 8.954 -18.098 1.00 0.00 H ATOM 775 N MET A 96 -20.436 5.719 -16.658 1.00 3.77 N ATOM 776 CA MET A 96 -21.100 4.591 -17.298 1.00 3.53 C ATOM 777 C MET A 96 -22.540 4.508 -16.814 1.00 3.08 C ATOM 778 O MET A 96 -22.804 4.667 -15.619 1.00 3.69 O ATOM 779 CB MET A 96 -20.392 3.286 -16.946 1.00 4.17 C ATOM 780 CG MET A 96 -19.008 3.167 -17.524 1.00 5.20 C ATOM 781 SD MET A 96 -18.234 1.612 -17.055 1.00 6.92 S ATOM 782 CE MET A 96 -16.900 1.533 -18.243 1.00 7.37 C ATOM 783 H MET A 96 -20.172 5.632 -15.656 1.00 0.00 H ATOM 784 N VAL A 97 -23.463 4.214 -17.732 1.00 3.21 N ATOM 785 CA VAL A 97 -24.894 4.196 -17.430 1.00 3.83 C ATOM 786 C VAL A 97 -25.549 3.004 -18.121 1.00 3.75 C ATOM 787 O VAL A 97 -25.330 2.777 -19.315 1.00 4.05 O ATOM 788 CB VAL A 97 -25.595 5.492 -17.885 1.00 4.16 C ATOM 789 CG1 VAL A 97 -27.089 5.442 -17.544 1.00 6.25 C ATOM 790 CG2 VAL A 97 -24.940 6.722 -17.278 1.00 5.69 C ATOM 791 H VAL A 97 -23.153 3.989 -18.699 1.00 0.00 H ATOM 792 N VAL A 98 -26.376 2.263 -17.385 1.00 3.51 N ATOM 793 CA VAL A 98 -27.296 1.294 -17.973 1.00 3.89 C ATOM 794 C VAL A 98 -28.704 1.645 -17.518 1.00 4.50 C ATOM 795 O VAL A 98 -28.962 1.745 -16.313 1.00 4.85 O ATOM 796 CB VAL A 98 -26.953 -0.153 -17.579 1.00 4.71 C ATOM 797 CG1 VAL A 98 -27.962 -1.116 -18.204 1.00 6.81 C ATOM 798 CG2 VAL A 98 -25.536 -0.507 -18.003 1.00 6.86 C ATOM 799 H VAL A 98 -26.366 2.379 -16.352 1.00 0.00 H ATOM 800 N ASN A 99 -29.617 1.806 -18.471 1.00 4.40 N ATOM 801 CA ASN A 99 -30.995 2.178 -18.172 1.00 4.34 C ATOM 802 C ASN A 99 -31.935 0.986 -18.282 1.00 6.34 C ATOM 803 O ASN A 99 -31.896 0.247 -19.270 1.00 6.92 O ATOM 804 CB ASN A 99 -31.457 3.278 -19.121 1.00 4.96 C ATOM 805 CG ASN A 99 -30.694 4.546 -18.922 1.00 4.59 C ATOM 806 OD1 ASN A 99 -30.350 4.891 -17.793 1.00 5.18 O ATOM 807 ND2 ASN A 99 -30.414 5.249 -20.009 1.00 5.23 N ATOM 808 HD22 ASN A 99 -30.729 4.912 -20.941 1.00 0.00 H ATOM 809 HD21 ASN A 99 -29.880 6.138 -19.930 1.00 0.00 H ATOM 810 H ASN A 99 -29.339 1.662 -19.463 1.00 0.00 H ATOM 811 N GLU A 100 -32.793 0.812 -17.276 1.00 5.68 N ATOM 812 CA GLU A 100 -33.795 -0.246 -17.261 1.00 5.10 C ATOM 813 C GLU A 100 -35.196 0.355 -17.313 1.00 5.40 C ATOM 814 O GLU A 100 -35.587 1.122 -16.421 1.00 5.81 O ATOM 815 CB GLU A 100 -33.660 -1.102 -16.002 1.00 6.62 C ATOM 816 CG GLU A 100 -34.879 -1.984 -15.719 1.00 7.58 C ATOM 817 CD GLU A 100 -35.024 -3.145 -16.694 1.00 7.53 C ATOM 818 OE1 GLU A 100 -34.003 -3.626 -17.224 1.00 7.08 O ATOM 819 OE2 GLU A 100 -36.178 -3.601 -16.918 1.00 8.64 O ATOM 820 H GLU A 100 -32.745 1.461 -16.465 1.00 0.00 H ATOM 821 N GLY A 101 -35.959 -0.021 -18.338 1.00 6.43 N ATOM 822 CA GLY A 101 -37.380 0.277 -18.328 1.00 8.37 C ATOM 823 C GLY A 101 -37.728 1.759 -18.407 1.00 8.27 C ATOM 824 O GLY A 101 -36.906 2.619 -18.739 1.00 6.93 O ATOM 825 H GLY A 101 -35.538 -0.527 -19.143 1.00 0.00 H ATOM 826 N SER A 102 -38.991 2.043 -18.080 1.00 7.98 N ATOM 827 CA SER A 102 -39.536 3.383 -18.279 1.00 8.27 C ATOM 828 C SER A 102 -38.875 4.400 -17.355 1.00 6.93 C ATOM 829 O SER A 102 -38.442 5.470 -17.798 1.00 6.94 O ATOM 830 CB SER A 102 -41.054 3.359 -18.073 1.00 10.18 C ATOM 831 OG SER A 102 -41.622 4.624 -18.349 1.00 13.38 O ATOM 832 HG SER A 102 -41.229 5.300 -17.742 1.00 0.00 H ATOM 833 H SER A 102 -39.596 1.299 -17.678 1.00 0.00 H ATOM 834 N ASP A 103 -38.786 4.085 -16.061 1.00 7.23 N ATOM 835 CA ASP A 103 -38.165 5.018 -15.124 1.00 7.36 C ATOM 836 C ASP A 103 -36.672 5.190 -15.387 1.00 5.51 C ATOM 837 O ASP A 103 -36.123 6.254 -15.097 1.00 6.44 O ATOM 838 CB ASP A 103 -38.397 4.592 -13.672 1.00 6.44 C ATOM 839 CG ASP A 103 -39.725 5.087 -13.105 1.00 9.67 C ATOM 840 OD1 ASP A 103 -40.461 5.818 -13.808 1.00 10.99 O ATOM 841 OD2 ASP A 103 -40.016 4.747 -11.938 1.00 10.03 O ATOM 842 H ASP A 103 -39.159 3.176 -15.720 1.00 0.00 H ATOM 843 N GLY A 104 -35.997 4.164 -15.920 1.00 5.47 N ATOM 844 CA GLY A 104 -34.598 4.325 -16.293 1.00 6.51 C ATOM 845 C GLY A 104 -34.392 5.159 -17.539 1.00 6.45 C ATOM 846 O GLY A 104 -33.291 5.677 -17.755 1.00 6.80 O ATOM 847 H GLY A 104 -36.472 3.251 -16.068 1.00 0.00 H ATOM 848 N GLY A 105 -35.427 5.314 -18.357 1.00 6.42 N ATOM 849 CA GLY A 105 -35.280 5.992 -19.626 1.00 7.61 C ATOM 850 C GLY A 105 -34.871 5.096 -20.768 1.00 7.08 C ATOM 851 O GLY A 105 -34.426 5.602 -21.805 1.00 7.60 O ATOM 852 H GLY A 105 -36.358 4.942 -18.081 1.00 0.00 H ATOM 853 N GLN A 106 -34.997 3.778 -20.617 1.00 7.18 N ATOM 854 CA GLN A 106 -34.637 2.884 -21.707 1.00 7.08 C ATOM 855 C GLN A 106 -35.487 3.179 -22.941 1.00 6.43 C ATOM 856 O GLN A 106 -36.707 3.362 -22.849 1.00 8.30 O ATOM 857 CB GLN A 106 -34.797 1.429 -21.269 1.00 8.48 C ATOM 858 CG GLN A 106 -34.203 0.464 -22.271 1.00 7.35 C ATOM 859 CD GLN A 106 -34.009 -0.933 -21.709 1.00 6.90 C ATOM 860 OE1 GLN A 106 -34.515 -1.279 -20.632 1.00 7.96 O ATOM 861 NE2 GLN A 106 -33.277 -1.753 -22.453 1.00 8.93 N ATOM 862 HE22 GLN A 106 -32.872 -1.419 -23.351 1.00 0.00 H ATOM 863 HE21 GLN A 106 -33.109 -2.730 -22.138 1.00 0.00 H ATOM 864 H GLN A 106 -35.352 3.389 -19.721 1.00 0.00 H ATOM 865 N SER A 107 -34.833 3.256 -24.099 1.00 5.45 N ATOM 866 CA SER A 107 -35.521 3.537 -25.353 1.00 5.63 C ATOM 867 C SER A 107 -35.235 2.526 -26.451 1.00 7.38 C ATOM 868 O SER A 107 -35.978 2.495 -27.439 1.00 9.35 O ATOM 869 CB SER A 107 -35.193 4.955 -25.857 1.00 6.36 C ATOM 870 OG SER A 107 -33.801 5.099 -26.124 1.00 6.17 O ATOM 871 HG SER A 107 -33.621 6.018 -26.445 1.00 0.00 H ATOM 872 H SER A 107 -33.803 3.112 -24.109 1.00 0.00 H ATOM 873 N VAL A 108 -34.189 1.716 -26.324 1.00 7.03 N ATOM 874 CA VAL A 108 -33.923 0.591 -27.212 1.00 6.21 C ATOM 875 C VAL A 108 -33.814 -0.627 -26.312 1.00 6.81 C ATOM 876 O VAL A 108 -32.967 -0.659 -25.407 1.00 6.26 O ATOM 877 CB VAL A 108 -32.621 0.778 -28.009 1.00 6.30 C ATOM 878 CG1 VAL A 108 -32.391 -0.419 -28.935 1.00 7.35 C ATOM 879 CG2 VAL A 108 -32.634 2.096 -28.791 1.00 7.77 C ATOM 880 H VAL A 108 -33.522 1.895 -25.546 1.00 0.00 H ATOM 881 N TYR A 109 -34.667 -1.623 -26.546 1.00 5.76 N ATOM 882 CA TYR A 109 -34.702 -2.793 -25.676 1.00 5.68 C ATOM 883 C TYR A 109 -33.714 -3.856 -26.152 1.00 5.89 C ATOM 884 O TYR A 109 -34.046 -4.963 -26.573 1.00 5.97 O ATOM 885 CB TYR A 109 -36.131 -3.286 -25.466 1.00 6.57 C ATOM 886 CG TYR A 109 -36.837 -2.406 -24.454 1.00 7.42 C ATOM 887 CD1 TYR A 109 -37.454 -1.218 -24.832 1.00 9.79 C ATOM 888 CD2 TYR A 109 -36.831 -2.736 -23.103 1.00 8.05 C ATOM 889 CE1 TYR A 109 -38.074 -0.399 -23.887 1.00 8.86 C ATOM 890 CE2 TYR A 109 -37.438 -1.930 -22.160 1.00 8.75 C ATOM 891 CZ TYR A 109 -38.060 -0.768 -22.551 1.00 9.92 C ATOM 892 OH TYR A 109 -38.663 0.021 -21.592 1.00 12.68 O ATOM 893 HH TYR A 109 -39.064 0.816 -22.025 1.00 0.00 H ATOM 894 H TYR A 109 -35.315 -1.566 -27.358 1.00 0.00 H ATOM 895 N HIS A 110 -32.450 -3.445 -26.072 1.00 6.21 N ATOM 896 CA HIS A 110 -31.283 -4.305 -26.230 1.00 4.75 C ATOM 897 C HIS A 110 -30.282 -3.697 -25.265 1.00 6.32 C ATOM 898 O HIS A 110 -30.037 -2.491 -25.345 1.00 8.15 O ATOM 899 CB HIS A 110 -30.766 -4.226 -27.673 1.00 7.18 C ATOM 900 CG HIS A 110 -29.586 -5.105 -27.958 1.00 6.54 C ATOM 901 ND1 HIS A 110 -29.661 -6.194 -28.799 1.00 11.19 N ATOM 902 CD2 HIS A 110 -28.294 -5.032 -27.555 1.00 5.82 C ATOM 903 CE1 HIS A 110 -28.474 -6.768 -28.880 1.00 9.83 C ATOM 904 NE2 HIS A 110 -27.627 -6.084 -28.131 1.00 5.87 N ATOM 905 H HIS A 110 -32.283 -2.436 -25.883 1.00 0.00 H ATOM 906 N VAL A 111 -29.764 -4.500 -24.328 1.00 5.48 N ATOM 907 CA VAL A 111 -28.914 -3.980 -23.255 1.00 5.07 C ATOM 908 C VAL A 111 -27.815 -3.106 -23.834 1.00 5.08 C ATOM 909 O VAL A 111 -27.121 -3.499 -24.778 1.00 5.47 O ATOM 910 CB VAL A 111 -28.324 -5.146 -22.439 1.00 6.34 C ATOM 911 CG1 VAL A 111 -27.123 -4.683 -21.612 1.00 8.95 C ATOM 912 CG2 VAL A 111 -29.376 -5.759 -21.540 1.00 7.36 C ATOM 913 H VAL A 111 -29.970 -5.519 -24.363 1.00 0.00 H ATOM 914 N ASN A 112 -27.642 -1.915 -23.259 1.00 5.32 N ATOM 915 CA ASN A 112 -26.624 -0.997 -23.751 1.00 5.25 C ATOM 916 C ASN A 112 -26.010 -0.213 -22.597 1.00 4.66 C ATOM 917 O ASN A 112 -26.724 0.335 -21.748 1.00 5.97 O ATOM 918 CB ASN A 112 -27.151 -0.084 -24.885 1.00 7.18 C ATOM 919 CG ASN A 112 -28.293 0.835 -24.455 1.00 8.65 C ATOM 920 OD1 ASN A 112 -28.064 1.977 -24.051 1.00 10.87 O ATOM 921 ND2 ASN A 112 -29.528 0.365 -24.595 1.00 9.11 N ATOM 922 HD22 ASN A 112 -29.679 -0.605 -24.939 1.00 0.00 H ATOM 923 HD21 ASN A 112 -30.343 0.967 -24.361 1.00 0.00 H ATOM 924 H ASN A 112 -28.239 -1.640 -22.453 1.00 0.00 H ATOM 925 N LEU A 113 -24.676 -0.193 -22.564 1.00 3.74 N ATOM 926 CA LEU A 113 -23.909 0.538 -21.569 1.00 4.05 C ATOM 927 C LEU A 113 -23.400 1.831 -22.203 1.00 2.37 C ATOM 928 O LEU A 113 -22.644 1.796 -23.185 1.00 4.11 O ATOM 929 CB LEU A 113 -22.740 -0.336 -21.113 1.00 5.40 C ATOM 930 CG LEU A 113 -21.723 0.318 -20.179 1.00 5.80 C ATOM 931 CD1 LEU A 113 -22.235 0.394 -18.764 1.00 13.30 C ATOM 932 CD2 LEU A 113 -20.381 -0.418 -20.246 1.00 11.16 C ATOM 933 H LEU A 113 -24.158 -0.729 -23.289 1.00 0.00 H ATOM 934 N HIS A 114 -23.822 2.966 -21.653 1.00 3.51 N ATOM 935 CA HIS A 114 -23.344 4.259 -22.123 1.00 3.37 C ATOM 936 C HIS A 114 -22.024 4.576 -21.446 1.00 2.48 C ATOM 937 O HIS A 114 -21.848 4.303 -20.254 1.00 3.50 O ATOM 938 CB HIS A 114 -24.312 5.368 -21.711 1.00 3.22 C ATOM 939 CG HIS A 114 -25.680 5.250 -22.296 1.00 3.19 C ATOM 940 ND1 HIS A 114 -26.132 6.082 -23.297 1.00 3.97 N ATOM 941 CD2 HIS A 114 -26.701 4.413 -22.005 1.00 5.46 C ATOM 942 CE1 HIS A 114 -27.369 5.745 -23.615 1.00 3.90 C ATOM 943 NE2 HIS A 114 -27.741 4.742 -22.840 1.00 5.11 N ATOM 944 H HIS A 114 -24.507 2.930 -20.871 1.00 0.00 H ATOM 945 N VAL A 115 -21.114 5.204 -22.188 1.00 3.04 N ATOM 946 CA VAL A 115 -19.908 5.802 -21.622 1.00 3.55 C ATOM 947 C VAL A 115 -19.882 7.257 -22.064 1.00 3.73 C ATOM 948 O VAL A 115 -19.891 7.542 -23.268 1.00 3.66 O ATOM 949 CB VAL A 115 -18.634 5.069 -22.078 1.00 3.78 C ATOM 950 CG1 VAL A 115 -17.413 5.667 -21.406 1.00 5.87 C ATOM 951 CG2 VAL A 115 -18.726 3.577 -21.763 1.00 6.25 C ATOM 952 H VAL A 115 -21.269 5.271 -23.214 1.00 0.00 H ATOM 953 N LEU A 116 -19.871 8.176 -21.100 1.00 3.75 N ATOM 954 CA LEU A 116 -19.947 9.609 -21.373 1.00 4.17 C ATOM 955 C LEU A 116 -18.752 10.309 -20.742 1.00 3.98 C ATOM 956 O LEU A 116 -18.447 10.088 -19.567 1.00 4.21 O ATOM 957 CB LEU A 116 -21.230 10.205 -20.777 1.00 5.69 C ATOM 958 CG LEU A 116 -22.562 9.592 -21.215 1.00 5.06 C ATOM 959 CD1 LEU A 116 -23.100 8.620 -20.178 1.00 7.27 C ATOM 960 CD2 LEU A 116 -23.588 10.667 -21.531 1.00 7.61 C ATOM 961 H LEU A 116 -19.806 7.860 -20.111 1.00 0.00 H ATOM 962 N GLY A 117 -18.096 11.174 -21.500 1.00 4.31 N ATOM 963 CA GLY A 117 -16.983 11.910 -20.943 1.00 5.19 C ATOM 964 C GLY A 117 -16.641 13.122 -21.780 1.00 4.39 C ATOM 965 O GLY A 117 -17.366 13.488 -22.706 1.00 5.11 O ATOM 966 H GLY A 117 -18.379 11.323 -22.489 1.00 0.00 H ATOM 967 N GLY A 118 -15.513 13.742 -21.436 1.00 5.28 N ATOM 968 CA GLY A 118 -15.071 14.949 -22.104 1.00 5.40 C ATOM 969 C GLY A 118 -15.648 16.224 -21.533 1.00 5.17 C ATOM 970 O GLY A 118 -15.428 17.299 -22.107 1.00 5.92 O ATOM 971 H GLY A 118 -14.934 13.349 -20.667 1.00 0.00 H ATOM 972 N ARG A 119 -16.421 16.132 -20.454 1.00 4.98 N ATOM 973 CA ARG A 119 -16.902 17.281 -19.702 1.00 5.87 C ATOM 974 C ARG A 119 -17.129 16.824 -18.270 1.00 4.80 C ATOM 975 O ARG A 119 -17.161 15.625 -17.973 1.00 5.32 O ATOM 976 CB ARG A 119 -18.207 17.845 -20.281 1.00 6.37 C ATOM 977 CG ARG A 119 -19.405 16.908 -20.171 1.00 6.81 C ATOM 978 CD ARG A 119 -20.698 17.667 -20.433 1.00 6.71 C ATOM 979 NE ARG A 119 -21.880 16.811 -20.546 1.00 7.30 N ATOM 980 CZ ARG A 119 -22.669 16.465 -19.530 1.00 5.88 C ATOM 981 NH1 ARG A 119 -22.402 16.879 -18.292 1.00 6.26 N ATOM 982 NH2 ARG A 119 -23.732 15.700 -19.744 1.00 7.37 N ATOM 983 HE ARG A 119 -22.122 16.446 -21.489 1.00 0.00 H ATOM 984 HH12 ARG A 119 -23.024 16.603 -17.506 1.00 0.00 H ATOM 985 HH11 ARG A 119 -21.571 17.478 -18.112 1.00 0.00 H ATOM 986 HH22 ARG A 119 -24.347 15.431 -18.950 1.00 0.00 H ATOM 987 HH21 ARG A 119 -23.950 15.370 -20.706 1.00 0.00 H ATOM 988 H ARG A 119 -16.698 15.184 -20.129 1.00 0.00 H ATOM 989 N GLN A 120 -17.303 17.793 -17.379 1.00 5.58 N ATOM 990 CA GLN A 120 -17.698 17.471 -16.014 1.00 4.54 C ATOM 991 C GLN A 120 -19.119 16.919 -16.024 1.00 5.48 C ATOM 992 O GLN A 120 -20.048 17.586 -16.493 1.00 6.50 O ATOM 993 CB GLN A 120 -17.648 18.736 -15.160 1.00 4.80 C ATOM 994 CG GLN A 120 -18.072 18.508 -13.716 1.00 6.56 C ATOM 995 CD GLN A 120 -17.091 17.630 -12.981 1.00 5.86 C ATOM 996 OE1 GLN A 120 -15.959 18.032 -12.739 1.00 7.99 O ATOM 997 NE2 GLN A 120 -17.504 16.409 -12.652 1.00 6.20 N ATOM 998 HE22 GLN A 120 -18.474 16.110 -12.877 1.00 0.00 H ATOM 999 HE21 GLN A 120 -16.857 15.753 -12.170 1.00 0.00 H ATOM 1000 H GLN A 120 -17.157 18.785 -17.656 1.00 0.00 H ATOM 1001 N MET A 121 -19.289 15.697 -15.512 1.00 4.43 N ATOM 1002 CA MET A 121 -20.617 15.144 -15.282 1.00 4.42 C ATOM 1003 C MET A 121 -21.117 15.593 -13.913 1.00 4.90 C ATOM 1004 O MET A 121 -20.340 15.747 -12.965 1.00 5.81 O ATOM 1005 CB MET A 121 -20.585 13.615 -15.358 1.00 4.89 C ATOM 1006 CG MET A 121 -20.002 13.082 -16.672 1.00 6.44 C ATOM 1007 SD MET A 121 -20.919 13.549 -18.165 1.00 6.40 S ATOM 1008 CE MET A 121 -22.437 12.644 -17.889 1.00 9.01 C ATOM 1009 H MET A 121 -18.453 15.127 -15.272 1.00 0.00 H ATOM 1010 N HIS A 122 -22.425 15.790 -13.813 1.00 4.30 N ATOM 1011 CA HIS A 122 -23.028 16.391 -12.630 1.00 3.52 C ATOM 1012 C HIS A 122 -23.771 15.347 -11.804 1.00 4.99 C ATOM 1013 O HIS A 122 -24.043 14.226 -12.249 1.00 5.47 O ATOM 1014 CB HIS A 122 -23.993 17.506 -13.046 1.00 5.60 C ATOM 1015 CG HIS A 122 -23.354 18.582 -13.862 1.00 6.43 C ATOM 1016 ND1 HIS A 122 -23.969 19.145 -14.959 1.00 21.17 N ATOM 1017 CD2 HIS A 122 -22.165 19.214 -13.730 1.00 8.41 C ATOM 1018 CE1 HIS A 122 -23.180 20.071 -15.475 1.00 22.20 C ATOM 1019 NE2 HIS A 122 -22.079 20.133 -14.748 1.00 11.30 N ATOM 1020 H HIS A 122 -23.039 15.507 -14.603 1.00 0.00 H ATOM 1021 N TRP A 123 -24.131 15.739 -10.586 1.00 5.31 N ATOM 1022 CA TRP A 123 -24.881 14.871 -9.682 1.00 5.68 C ATOM 1023 C TRP A 123 -26.159 15.618 -9.322 1.00 5.78 C ATOM 1024 O TRP A 123 -26.107 16.815 -9.064 1.00 8.11 O ATOM 1025 CB TRP A 123 -24.043 14.579 -8.438 1.00 5.50 C ATOM 1026 CG TRP A 123 -24.371 13.289 -7.753 1.00 5.49 C ATOM 1027 CD1 TRP A 123 -24.850 13.128 -6.484 1.00 6.02 C ATOM 1028 CD2 TRP A 123 -24.238 11.973 -8.301 1.00 3.62 C ATOM 1029 NE1 TRP A 123 -25.016 11.794 -6.210 1.00 6.01 N ATOM 1030 CE2 TRP A 123 -24.654 11.060 -7.311 1.00 5.50 C ATOM 1031 CE3 TRP A 123 -23.810 11.478 -9.539 1.00 5.19 C ATOM 1032 CZ2 TRP A 123 -24.645 9.677 -7.517 1.00 6.03 C ATOM 1033 CZ3 TRP A 123 -23.805 10.104 -9.744 1.00 4.68 C ATOM 1034 CH2 TRP A 123 -24.220 9.223 -8.738 1.00 5.60 C ATOM 1035 HE1 TRP A 123 -25.361 11.402 -5.311 1.00 0.00 H ATOM 1036 H TRP A 123 -23.870 16.694 -10.267 1.00 0.00 H ATOM 1037 N PRO A 124 -27.314 14.940 -9.314 1.00 5.15 N ATOM 1038 CA PRO A 124 -27.536 13.510 -9.548 1.00 4.78 C ATOM 1039 C PRO A 124 -27.400 13.136 -11.022 1.00 4.02 C ATOM 1040 O PRO A 124 -27.405 14.015 -11.899 1.00 5.50 O ATOM 1041 CB PRO A 124 -28.985 13.320 -9.093 1.00 7.26 C ATOM 1042 CG PRO A 124 -29.630 14.632 -9.398 1.00 8.76 C ATOM 1043 CD PRO A 124 -28.576 15.656 -9.049 1.00 7.88 C ATOM 1044 N PRO A 125 -27.267 11.837 -11.302 1.00 4.22 N ATOM 1045 CA PRO A 125 -27.055 11.398 -12.697 1.00 5.14 C ATOM 1046 C PRO A 125 -28.384 11.285 -13.431 1.00 4.52 C ATOM 1047 O PRO A 125 -28.826 10.200 -13.852 1.00 5.48 O ATOM 1048 CB PRO A 125 -26.365 10.047 -12.504 1.00 5.21 C ATOM 1049 CG PRO A 125 -27.013 9.507 -11.263 1.00 5.34 C ATOM 1050 CD PRO A 125 -27.226 10.700 -10.361 1.00 5.02 C ATOM 1051 N GLY A 126 -29.034 12.429 -13.611 1.00 5.44 N ATOM 1052 CA GLY A 126 -30.403 12.450 -14.085 1.00 5.56 C ATOM 1053 C GLY A 126 -31.404 12.304 -12.959 1.00 6.56 C ATOM 1054 O GLY A 126 -32.589 12.055 -13.205 1.00 7.63 O ATOM 1055 OXT GLY A 126 -31.046 12.441 -11.780 1.00 8.50 O ATOM 1056 H GLY A 126 -28.551 13.327 -13.408 1.00 0.00 H TER 1057 GLY A 126 ATOM 1058 N GLY B 15 -5.451 3.472 -0.958 1.00 34.27 N ATOM 1059 CA GLY B 15 -5.698 3.477 0.472 1.00 26.48 C ATOM 1060 C GLY B 15 -7.125 3.110 0.839 1.00 17.19 C ATOM 1061 O GLY B 15 -7.995 3.041 -0.032 1.00 21.42 O ATOM 1062 HN3 GLY B 15 -6.080 4.160 -1.420 1.00 0.00 H ATOM 1063 HN2 GLY B 15 -5.637 2.522 -1.337 1.00 0.00 H ATOM 1064 HN1 GLY B 15 -4.460 3.731 -1.138 1.00 0.00 H ATOM 1065 N ASP B 16 -7.359 2.895 2.133 1.00 18.06 N ATOM 1066 CA ASP B 16 -8.679 2.512 2.617 1.00 16.56 C ATOM 1067 C ASP B 16 -9.682 3.626 2.340 1.00 13.09 C ATOM 1068 O ASP B 16 -9.325 4.804 2.232 1.00 12.40 O ATOM 1069 CB ASP B 16 -8.614 2.247 4.126 1.00 14.41 C ATOM 1070 CG ASP B 16 -9.864 1.554 4.665 1.00 13.93 C ATOM 1071 OD1 ASP B 16 -10.425 0.685 3.966 1.00 13.35 O ATOM 1072 OD2 ASP B 16 -10.281 1.876 5.799 1.00 15.58 O ATOM 1073 H ASP B 16 -6.581 3.003 2.814 1.00 0.00 H ATOM 1074 N THR B 17 -10.950 3.248 2.215 1.00 7.58 N ATOM 1075 CA THR B 17 -12.026 4.219 2.081 1.00 6.18 C ATOM 1076 C THR B 17 -13.135 3.870 3.055 1.00 5.15 C ATOM 1077 O THR B 17 -13.150 2.797 3.674 1.00 5.76 O ATOM 1078 CB THR B 17 -12.646 4.247 0.672 1.00 5.01 C ATOM 1079 OG1 THR B 17 -13.450 3.069 0.482 1.00 6.36 O ATOM 1080 CG2 THR B 17 -11.581 4.333 -0.415 1.00 6.97 C ATOM 1081 HG1 THR B 17 -12.882 2.264 0.579 1.00 0.00 H ATOM 1082 H THR B 17 -11.179 2.234 2.213 1.00 0.00 H ATOM 1083 N ILE B 18 -14.099 4.783 3.143 1.00 4.64 N ATOM 1084 CA ILE B 18 -15.276 4.550 3.969 1.00 5.80 C ATOM 1085 C ILE B 18 -16.015 3.282 3.542 1.00 4.84 C ATOM 1086 O ILE B 18 -16.634 2.611 4.374 1.00 5.38 O ATOM 1087 CB ILE B 18 -16.171 5.808 3.986 1.00 5.68 C ATOM 1088 CG1 ILE B 18 -17.209 5.708 5.105 1.00 7.92 C ATOM 1089 CG2 ILE B 18 -16.822 6.043 2.624 1.00 7.06 C ATOM 1090 CD1 ILE B 18 -17.766 7.053 5.526 1.00 8.56 C ATOM 1091 H ILE B 18 -14.011 5.675 2.615 1.00 0.00 H ATOM 1092 N PHE B 19 -15.964 2.920 2.253 1.00 4.90 N ATOM 1093 CA PHE B 19 -16.625 1.684 1.838 1.00 4.81 C ATOM 1094 C PHE B 19 -15.906 0.448 2.372 1.00 5.16 C ATOM 1095 O PHE B 19 -16.553 -0.574 2.643 1.00 5.26 O ATOM 1096 CB PHE B 19 -16.772 1.624 0.313 1.00 5.44 C ATOM 1097 CG PHE B 19 -17.767 2.620 -0.260 1.00 4.97 C ATOM 1098 CD1 PHE B 19 -18.591 3.375 0.565 1.00 4.81 C ATOM 1099 CD2 PHE B 19 -17.869 2.791 -1.634 1.00 5.01 C ATOM 1100 CE1 PHE B 19 -19.498 4.291 0.032 1.00 4.20 C ATOM 1101 CE2 PHE B 19 -18.778 3.698 -2.170 1.00 6.18 C ATOM 1102 CZ PHE B 19 -19.583 4.450 -1.340 1.00 5.40 C ATOM 1103 H PHE B 19 -15.462 3.509 1.558 1.00 0.00 H ATOM 1104 N GLY B 20 -14.579 0.514 2.525 1.00 5.26 N ATOM 1105 CA GLY B 20 -13.874 -0.555 3.215 1.00 6.58 C ATOM 1106 C GLY B 20 -14.347 -0.719 4.645 1.00 5.75 C ATOM 1107 O GLY B 20 -14.549 -1.841 5.118 1.00 6.61 O ATOM 1108 H GLY B 20 -14.052 1.329 2.151 1.00 0.00 H ATOM 1109 N LYS B 21 -14.556 0.400 5.344 1.00 5.19 N ATOM 1110 CA LYS B 21 -15.064 0.341 6.708 1.00 6.14 C ATOM 1111 C LYS B 21 -16.449 -0.283 6.749 1.00 5.56 C ATOM 1112 O LYS B 21 -16.776 -1.027 7.683 1.00 5.61 O ATOM 1113 CB LYS B 21 -15.098 1.747 7.304 1.00 6.45 C ATOM 1114 CG LYS B 21 -13.728 2.356 7.535 1.00 9.52 C ATOM 1115 CD LYS B 21 -13.847 3.779 8.069 1.00 11.73 C ATOM 1116 CE LYS B 21 -12.486 4.366 8.394 1.00 19.22 C ATOM 1117 NZ LYS B 21 -12.609 5.729 8.980 1.00 29.19 N ATOM 1118 HZ1 LYS B 21 -13.086 6.355 8.300 1.00 0.00 H ATOM 1119 HZ2 LYS B 21 -13.166 5.679 9.857 1.00 0.00 H ATOM 1120 HZ3 LYS B 21 -11.661 6.101 9.191 1.00 0.00 H ATOM 1121 H LYS B 21 -14.354 1.323 4.910 1.00 0.00 H ATOM 1122 N ILE B 22 -17.281 0.016 5.750 1.00 4.43 N ATOM 1123 CA ILE B 22 -18.619 -0.558 5.697 1.00 5.07 C ATOM 1124 C ILE B 22 -18.555 -2.071 5.487 1.00 4.67 C ATOM 1125 O ILE B 22 -19.251 -2.830 6.174 1.00 5.20 O ATOM 1126 CB ILE B 22 -19.466 0.168 4.637 1.00 4.66 C ATOM 1127 CG1 ILE B 22 -19.817 1.575 5.137 1.00 4.39 C ATOM 1128 CG2 ILE B 22 -20.722 -0.634 4.312 1.00 6.03 C ATOM 1129 CD1 ILE B 22 -20.435 2.490 4.078 1.00 6.63 C ATOM 1130 H ILE B 22 -16.971 0.667 5.000 1.00 0.00 H ATOM 1131 N ILE B 23 -17.699 -2.532 4.569 1.00 4.56 N ATOM 1132 CA ILE B 23 -17.524 -3.971 4.345 1.00 5.54 C ATOM 1133 C ILE B 23 -17.080 -4.671 5.623 1.00 5.66 C ATOM 1134 O ILE B 23 -17.518 -5.790 5.925 1.00 6.28 O ATOM 1135 CB ILE B 23 -16.512 -4.216 3.209 1.00 5.97 C ATOM 1136 CG1 ILE B 23 -17.106 -3.834 1.855 1.00 6.60 C ATOM 1137 CG2 ILE B 23 -16.041 -5.680 3.191 1.00 8.01 C ATOM 1138 CD1 ILE B 23 -16.050 -3.638 0.778 1.00 6.81 C ATOM 1139 H ILE B 23 -17.146 -1.857 4.003 1.00 0.00 H ATOM 1140 N ARG B 24 -16.171 -4.049 6.363 1.00 3.93 N ATOM 1141 CA ARG B 24 -15.625 -4.625 7.585 1.00 4.57 C ATOM 1142 C ARG B 24 -16.565 -4.488 8.772 1.00 5.59 C ATOM 1143 O ARG B 24 -16.244 -4.985 9.860 1.00 6.22 O ATOM 1144 CB ARG B 24 -14.261 -3.992 7.883 1.00 4.89 C ATOM 1145 CG ARG B 24 -13.216 -4.312 6.812 1.00 6.22 C ATOM 1146 CD ARG B 24 -11.799 -3.951 7.243 1.00 6.88 C ATOM 1147 NE ARG B 24 -11.689 -2.552 7.655 1.00 7.35 N ATOM 1148 CZ ARG B 24 -11.406 -1.534 6.848 1.00 9.69 C ATOM 1149 NH1 ARG B 24 -11.182 -1.743 5.555 1.00 10.57 N ATOM 1150 NH2 ARG B 24 -11.351 -0.308 7.350 1.00 11.30 N ATOM 1151 HE ARG B 24 -11.845 -2.336 8.660 1.00 0.00 H ATOM 1152 HH12 ARG B 24 -10.961 -0.942 4.929 1.00 0.00 H ATOM 1153 HH11 ARG B 24 -11.228 -2.707 5.169 1.00 0.00 H ATOM 1154 HH22 ARG B 24 -11.131 0.498 6.731 1.00 0.00 H ATOM 1155 HH21 ARG B 24 -11.528 -0.152 8.363 1.00 0.00 H ATOM 1156 H ARG B 24 -15.835 -3.113 6.059 1.00 0.00 H ATOM 1157 N LYS B 25 -17.721 -3.856 8.576 1.00 4.39 N ATOM 1158 CA LYS B 25 -18.750 -3.652 9.588 1.00 4.18 C ATOM 1159 C LYS B 25 -18.292 -2.718 10.698 1.00 4.88 C ATOM 1160 O LYS B 25 -18.839 -2.746 11.803 1.00 6.51 O ATOM 1161 CB LYS B 25 -19.316 -4.972 10.133 1.00 5.48 C ATOM 1162 CG LYS B 25 -19.638 -5.990 9.038 1.00 4.89 C ATOM 1163 CD LYS B 25 -20.689 -5.467 8.078 1.00 6.64 C ATOM 1164 CE LYS B 25 -20.872 -6.376 6.869 1.00 8.19 C ATOM 1165 NZ LYS B 25 -21.247 -7.785 7.191 1.00 10.93 N ATOM 1166 HZ1 LYS B 25 -20.504 -8.215 7.778 1.00 0.00 H ATOM 1167 HZ2 LYS B 25 -22.148 -7.793 7.710 1.00 0.00 H ATOM 1168 HZ3 LYS B 25 -21.349 -8.326 6.308 1.00 0.00 H ATOM 1169 H LYS B 25 -17.904 -3.478 7.625 1.00 0.00 H ATOM 1170 N GLU B 26 -17.294 -1.880 10.417 1.00 5.97 N ATOM 1171 CA GLU B 26 -16.786 -0.945 11.415 1.00 5.91 C ATOM 1172 C GLU B 26 -17.684 0.269 11.572 1.00 7.73 C ATOM 1173 O GLU B 26 -17.703 0.885 12.645 1.00 10.41 O ATOM 1174 CB GLU B 26 -15.381 -0.498 11.033 1.00 6.36 C ATOM 1175 CG GLU B 26 -14.370 -1.620 11.097 1.00 7.85 C ATOM 1176 CD GLU B 26 -13.033 -1.245 10.486 1.00 8.52 C ATOM 1177 OE1 GLU B 26 -12.879 -0.086 10.040 1.00 12.34 O ATOM 1178 OE2 GLU B 26 -12.132 -2.110 10.435 1.00 9.53 O ATOM 1179 H GLU B 26 -16.869 -1.893 9.468 1.00 0.00 H ATOM 1180 N ILE B 27 -18.402 0.652 10.524 1.00 8.02 N ATOM 1181 CA ILE B 27 -19.417 1.692 10.669 1.00 10.63 C ATOM 1182 C ILE B 27 -20.711 1.169 10.064 1.00 8.82 C ATOM 1183 O ILE B 27 -20.697 0.275 9.204 1.00 11.95 O ATOM 1184 CB ILE B 27 -18.986 3.021 10.008 1.00 10.66 C ATOM 1185 CG1 ILE B 27 -18.895 2.849 8.503 1.00 6.71 C ATOM 1186 CG2 ILE B 27 -17.676 3.552 10.610 1.00 12.92 C ATOM 1187 CD1 ILE B 27 -18.947 4.161 7.770 1.00 12.76 C ATOM 1188 H ILE B 27 -18.241 0.210 9.596 1.00 0.00 H ATOM 1189 N PRO B 28 -21.846 1.689 10.507 1.00 9.26 N ATOM 1190 CA PRO B 28 -23.121 1.130 10.056 1.00 10.28 C ATOM 1191 C PRO B 28 -23.513 1.588 8.662 1.00 7.10 C ATOM 1192 O PRO B 28 -23.133 2.662 8.181 1.00 7.90 O ATOM 1193 CB PRO B 28 -24.119 1.648 11.097 1.00 12.77 C ATOM 1194 CG PRO B 28 -23.507 2.912 11.591 1.00 15.27 C ATOM 1195 CD PRO B 28 -22.025 2.658 11.603 1.00 12.04 C ATOM 1196 N ALA B 29 -24.280 0.720 8.013 1.00 7.08 N ATOM 1197 CA ALA B 29 -24.973 1.009 6.768 1.00 7.74 C ATOM 1198 C ALA B 29 -26.211 0.125 6.734 1.00 6.88 C ATOM 1199 O ALA B 29 -26.281 -0.894 7.429 1.00 8.51 O ATOM 1200 CB ALA B 29 -24.087 0.739 5.546 1.00 9.55 C ATOM 1201 H ALA B 29 -24.393 -0.229 8.422 1.00 0.00 H ATOM 1202 N LYS B 30 -27.199 0.523 5.937 1.00 6.86 N ATOM 1203 CA LYS B 30 -28.424 -0.261 5.782 1.00 7.48 C ATOM 1204 C LYS B 30 -28.177 -1.283 4.679 1.00 5.99 C ATOM 1205 O LYS B 30 -28.317 -0.980 3.488 1.00 6.44 O ATOM 1206 CB LYS B 30 -29.607 0.649 5.472 1.00 10.00 C ATOM 1207 CG LYS B 30 -29.850 1.720 6.529 1.00 20.03 C ATOM 1208 CD LYS B 30 -31.012 2.632 6.153 1.00 26.41 C ATOM 1209 CE LYS B 30 -30.642 3.574 5.017 1.00 31.68 C ATOM 1210 NZ LYS B 30 -31.834 4.291 4.476 1.00 32.41 N ATOM 1211 HZ1 LYS B 30 -32.519 3.598 4.114 1.00 0.00 H ATOM 1212 HZ2 LYS B 30 -32.273 4.851 5.234 1.00 0.00 H ATOM 1213 HZ3 LYS B 30 -31.537 4.922 3.704 1.00 0.00 H ATOM 1214 H LYS B 30 -27.098 1.414 5.411 1.00 0.00 H ATOM 1215 N ILE B 31 -27.803 -2.493 5.084 1.00 5.67 N ATOM 1216 CA ILE B 31 -27.382 -3.538 4.158 1.00 6.49 C ATOM 1217 C ILE B 31 -28.603 -4.198 3.539 1.00 7.62 C ATOM 1218 O ILE B 31 -29.552 -4.578 4.241 1.00 8.69 O ATOM 1219 CB ILE B 31 -26.493 -4.570 4.870 1.00 6.91 C ATOM 1220 CG1 ILE B 31 -25.197 -3.898 5.327 1.00 9.65 C ATOM 1221 CG2 ILE B 31 -26.204 -5.744 3.945 1.00 8.01 C ATOM 1222 CD1 ILE B 31 -24.341 -4.763 6.244 1.00 12.54 C ATOM 1223 H ILE B 31 -27.811 -2.703 6.103 1.00 0.00 H ATOM 1224 N ILE B 32 -28.572 -4.342 2.219 1.00 6.01 N ATOM 1225 CA ILE B 32 -29.624 -4.988 1.452 1.00 6.16 C ATOM 1226 C ILE B 32 -29.292 -6.443 1.167 1.00 6.74 C ATOM 1227 O ILE B 32 -30.171 -7.304 1.225 1.00 8.28 O ATOM 1228 CB ILE B 32 -29.832 -4.210 0.133 1.00 4.71 C ATOM 1229 CG1 ILE B 32 -30.258 -2.775 0.429 1.00 6.55 C ATOM 1230 CG2 ILE B 32 -30.826 -4.930 -0.797 1.00 7.53 C ATOM 1231 CD1 ILE B 32 -29.992 -1.836 -0.716 1.00 5.96 C ATOM 1232 H ILE B 32 -27.748 -3.971 1.705 1.00 0.00 H ATOM 1233 N PHE B 33 -28.035 -6.720 0.824 1.00 5.21 N ATOM 1234 CA PHE B 33 -27.627 -8.055 0.417 1.00 4.91 C ATOM 1235 C PHE B 33 -26.127 -8.181 0.618 1.00 4.12 C ATOM 1236 O PHE B 33 -25.388 -7.202 0.488 1.00 5.74 O ATOM 1237 CB PHE B 33 -27.970 -8.325 -1.056 1.00 6.29 C ATOM 1238 CG PHE B 33 -27.494 -9.666 -1.538 1.00 6.48 C ATOM 1239 CD1 PHE B 33 -26.321 -9.782 -2.271 1.00 5.60 C ATOM 1240 CD2 PHE B 33 -28.200 -10.813 -1.212 1.00 8.27 C ATOM 1241 CE1 PHE B 33 -25.876 -11.033 -2.692 1.00 8.36 C ATOM 1242 CE2 PHE B 33 -27.753 -12.059 -1.632 1.00 9.29 C ATOM 1243 CZ PHE B 33 -26.600 -12.160 -2.365 1.00 9.22 C ATOM 1244 H PHE B 33 -27.325 -5.960 0.848 1.00 0.00 H ATOM 1245 N GLU B 34 -25.685 -9.399 0.927 1.00 4.28 N ATOM 1246 CA GLU B 34 -24.265 -9.675 1.041 1.00 4.19 C ATOM 1247 C GLU B 34 -24.015 -11.089 0.539 1.00 3.46 C ATOM 1248 O GLU B 34 -24.858 -11.975 0.702 1.00 4.57 O ATOM 1249 CB GLU B 34 -23.785 -9.543 2.496 1.00 4.67 C ATOM 1250 CG GLU B 34 -22.281 -9.600 2.647 1.00 6.04 C ATOM 1251 CD GLU B 34 -21.784 -9.155 4.019 1.00 5.43 C ATOM 1252 OE1 GLU B 34 -22.611 -8.781 4.874 1.00 7.64 O ATOM 1253 OE2 GLU B 34 -20.549 -9.174 4.210 1.00 7.15 O ATOM 1254 H GLU B 34 -26.369 -10.165 1.089 1.00 0.00 H ATOM 1255 N ASP B 35 -22.850 -11.298 -0.064 1.00 4.18 N ATOM 1256 CA ASP B 35 -22.360 -12.656 -0.306 1.00 3.98 C ATOM 1257 C ASP B 35 -20.868 -12.673 0.010 1.00 4.85 C ATOM 1258 O ASP B 35 -20.363 -11.812 0.741 1.00 4.96 O ATOM 1259 CB ASP B 35 -22.808 -13.215 -1.671 1.00 4.50 C ATOM 1260 CG ASP B 35 -22.227 -12.466 -2.855 1.00 4.51 C ATOM 1261 OD1 ASP B 35 -21.198 -11.776 -2.711 1.00 4.44 O ATOM 1262 OD2 ASP B 35 -22.804 -12.612 -3.953 1.00 5.44 O ATOM 1263 H ASP B 35 -22.278 -10.485 -0.369 1.00 0.00 H ATOM 1264 N ASP B 36 -20.153 -13.667 -0.511 1.00 4.59 N ATOM 1265 CA ASP B 36 -18.728 -13.777 -0.227 1.00 4.24 C ATOM 1266 C ASP B 36 -17.879 -12.769 -0.998 1.00 5.83 C ATOM 1267 O ASP B 36 -16.688 -12.623 -0.701 1.00 6.78 O ATOM 1268 CB ASP B 36 -18.241 -15.209 -0.495 1.00 5.36 C ATOM 1269 CG ASP B 36 -18.378 -15.625 -1.955 1.00 5.82 C ATOM 1270 OD1 ASP B 36 -19.144 -14.979 -2.702 1.00 5.07 O ATOM 1271 OD2 ASP B 36 -17.720 -16.612 -2.356 1.00 6.71 O ATOM 1272 H ASP B 36 -20.614 -14.369 -1.124 1.00 0.00 H ATOM 1273 N ARG B 37 -18.453 -12.056 -1.965 1.00 4.33 N ATOM 1274 CA ARG B 37 -17.643 -11.233 -2.852 1.00 4.62 C ATOM 1275 C ARG B 37 -18.215 -9.845 -3.106 1.00 4.40 C ATOM 1276 O ARG B 37 -17.583 -9.064 -3.830 1.00 5.29 O ATOM 1277 CB ARG B 37 -17.382 -11.963 -4.186 1.00 5.59 C ATOM 1278 CG ARG B 37 -18.638 -12.272 -4.982 1.00 5.99 C ATOM 1279 CD ARG B 37 -18.388 -13.374 -6.010 1.00 5.60 C ATOM 1280 NE ARG B 37 -18.153 -14.649 -5.336 1.00 5.74 N ATOM 1281 CZ ARG B 37 -17.713 -15.754 -5.929 1.00 6.27 C ATOM 1282 NH1 ARG B 37 -17.424 -15.754 -7.228 1.00 7.96 N ATOM 1283 NH2 ARG B 37 -17.549 -16.863 -5.218 1.00 6.87 N ATOM 1284 HE ARG B 37 -18.345 -14.695 -4.315 1.00 0.00 H ATOM 1285 HH12 ARG B 37 -17.080 -16.623 -7.684 1.00 0.00 H ATOM 1286 HH11 ARG B 37 -17.542 -14.885 -7.787 1.00 0.00 H ATOM 1287 HH22 ARG B 37 -17.205 -17.730 -5.678 1.00 0.00 H ATOM 1288 HH21 ARG B 37 -17.765 -16.865 -4.201 1.00 0.00 H ATOM 1289 H ARG B 37 -19.485 -12.087 -2.087 1.00 0.00 H ATOM 1290 N CYS B 38 -19.375 -9.504 -2.552 1.00 4.32 N ATOM 1291 CA CYS B 38 -19.930 -8.175 -2.776 1.00 4.32 C ATOM 1292 C CYS B 38 -20.877 -7.824 -1.640 1.00 3.79 C ATOM 1293 O CYS B 38 -21.256 -8.672 -0.821 1.00 4.80 O ATOM 1294 CB CYS B 38 -20.620 -8.058 -4.138 1.00 4.32 C ATOM 1295 SG CYS B 38 -22.199 -8.906 -4.261 1.00 5.72 S ATOM 1296 H CYS B 38 -19.887 -10.187 -1.958 1.00 0.00 H ATOM 1297 N LEU B 39 -21.262 -6.549 -1.609 1.00 4.59 N ATOM 1298 CA LEU B 39 -22.161 -6.016 -0.600 1.00 3.85 C ATOM 1299 C LEU B 39 -23.043 -4.961 -1.252 1.00 3.51 C ATOM 1300 O LEU B 39 -22.548 -4.113 -2.004 1.00 4.62 O ATOM 1301 CB LEU B 39 -21.342 -5.356 0.518 1.00 6.50 C ATOM 1302 CG LEU B 39 -22.096 -4.840 1.742 1.00 5.02 C ATOM 1303 CD1 LEU B 39 -22.606 -6.002 2.573 1.00 5.36 C ATOM 1304 CD2 LEU B 39 -21.202 -3.934 2.579 1.00 6.89 C ATOM 1305 H LEU B 39 -20.902 -5.905 -2.342 1.00 0.00 H ATOM 1306 N ALA B 40 -24.340 -4.996 -0.956 1.00 4.39 N ATOM 1307 CA ALA B 40 -25.280 -3.988 -1.435 1.00 4.66 C ATOM 1308 C ALA B 40 -25.885 -3.270 -0.239 1.00 3.67 C ATOM 1309 O ALA B 40 -26.292 -3.921 0.732 1.00 5.28 O ATOM 1310 CB ALA B 40 -26.390 -4.608 -2.282 1.00 4.86 C ATOM 1311 H ALA B 40 -24.697 -5.771 -0.361 1.00 0.00 H ATOM 1312 N PHE B 41 -25.938 -1.939 -0.299 1.00 4.91 N ATOM 1313 CA PHE B 41 -26.413 -1.148 0.828 1.00 4.79 C ATOM 1314 C PHE B 41 -26.969 0.180 0.335 1.00 3.40 C ATOM 1315 O PHE B 41 -26.576 0.687 -0.719 1.00 4.25 O ATOM 1316 CB PHE B 41 -25.315 -0.934 1.882 1.00 4.41 C ATOM 1317 CG PHE B 41 -24.069 -0.293 1.353 1.00 4.54 C ATOM 1318 CD1 PHE B 41 -23.860 1.071 1.501 1.00 5.02 C ATOM 1319 CD2 PHE B 41 -23.103 -1.056 0.710 1.00 6.94 C ATOM 1320 CE1 PHE B 41 -22.710 1.658 1.026 1.00 6.29 C ATOM 1321 CE2 PHE B 41 -21.951 -0.469 0.218 1.00 5.70 C ATOM 1322 CZ PHE B 41 -21.750 0.892 0.388 1.00 4.88 C ATOM 1323 H PHE B 41 -25.634 -1.456 -1.168 1.00 0.00 H ATOM 1324 N HIS B 42 -27.887 0.747 1.110 1.00 4.21 N ATOM 1325 CA HIS B 42 -28.512 1.995 0.695 1.00 5.02 C ATOM 1326 C HIS B 42 -27.510 3.140 0.781 1.00 5.31 C ATOM 1327 O HIS B 42 -26.697 3.204 1.702 1.00 6.09 O ATOM 1328 CB HIS B 42 -29.720 2.290 1.580 1.00 6.44 C ATOM 1329 CG HIS B 42 -30.858 1.347 1.364 1.00 5.66 C ATOM 1330 ND1 HIS B 42 -31.757 1.498 0.332 1.00 8.05 N ATOM 1331 CD2 HIS B 42 -31.231 0.226 2.029 1.00 7.15 C ATOM 1332 CE1 HIS B 42 -32.646 0.521 0.381 1.00 8.26 C ATOM 1333 NE2 HIS B 42 -32.350 -0.261 1.403 1.00 7.35 N ATOM 1334 H HIS B 42 -28.158 0.301 2.010 1.00 0.00 H ATOM 1335 N ASP B 43 -27.555 4.037 -0.201 1.00 5.96 N ATOM 1336 CA ASP B 43 -26.664 5.194 -0.208 1.00 6.32 C ATOM 1337 C ASP B 43 -27.078 6.179 0.879 1.00 6.19 C ATOM 1338 O ASP B 43 -28.264 6.473 1.054 1.00 8.55 O ATOM 1339 CB ASP B 43 -26.751 5.887 -1.569 1.00 6.32 C ATOM 1340 CG ASP B 43 -25.587 6.808 -1.846 1.00 8.62 C ATOM 1341 OD1 ASP B 43 -24.773 6.473 -2.736 1.00 16.37 O ATOM 1342 OD2 ASP B 43 -25.493 7.881 -1.221 1.00 7.58 O ATOM 1343 H ASP B 43 -28.236 3.912 -0.977 1.00 0.00 H ATOM 1344 N ILE B 44 -26.087 6.714 1.595 1.00 4.75 N ATOM 1345 CA ILE B 44 -26.381 7.650 2.676 1.00 5.82 C ATOM 1346 C ILE B 44 -26.901 8.991 2.166 1.00 6.33 C ATOM 1347 O ILE B 44 -27.538 9.735 2.929 1.00 7.92 O ATOM 1348 CB ILE B 44 -25.150 7.815 3.580 1.00 7.29 C ATOM 1349 CG1 ILE B 44 -25.544 8.501 4.895 1.00 9.91 C ATOM 1350 CG2 ILE B 44 -24.074 8.597 2.856 1.00 8.27 C ATOM 1351 CD1 ILE B 44 -24.473 8.464 5.956 1.00 12.92 C ATOM 1352 H ILE B 44 -25.101 6.463 1.382 1.00 0.00 H ATOM 1353 N SER B 45 -26.654 9.323 0.899 1.00 6.90 N ATOM 1354 CA SER B 45 -27.081 10.579 0.288 1.00 7.43 C ATOM 1355 C SER B 45 -27.957 10.241 -0.917 1.00 7.97 C ATOM 1356 O SER B 45 -27.547 10.428 -2.071 1.00 8.93 O ATOM 1357 CB SER B 45 -25.850 11.384 -0.126 1.00 9.58 C ATOM 1358 OG SER B 45 -26.207 12.618 -0.742 1.00 12.48 O ATOM 1359 HG SER B 45 -26.735 13.162 -0.106 1.00 0.00 H ATOM 1360 H SER B 45 -26.126 8.648 0.310 1.00 0.00 H ATOM 1361 N PRO B 46 -29.164 9.726 -0.690 1.00 5.78 N ATOM 1362 CA PRO B 46 -29.948 9.190 -1.814 1.00 6.87 C ATOM 1363 C PRO B 46 -30.411 10.277 -2.769 1.00 6.03 C ATOM 1364 O PRO B 46 -30.890 11.337 -2.356 1.00 8.92 O ATOM 1365 CB PRO B 46 -31.141 8.517 -1.130 1.00 7.98 C ATOM 1366 CG PRO B 46 -31.282 9.262 0.179 1.00 8.38 C ATOM 1367 CD PRO B 46 -29.870 9.579 0.598 1.00 8.26 C ATOM 1368 N GLN B 47 -30.293 9.983 -4.060 1.00 6.44 N ATOM 1369 CA GLN B 47 -30.675 10.900 -5.126 1.00 6.45 C ATOM 1370 C GLN B 47 -31.989 10.509 -5.787 1.00 6.09 C ATOM 1371 O GLN B 47 -32.386 11.126 -6.783 1.00 7.49 O ATOM 1372 CB GLN B 47 -29.558 10.954 -6.170 1.00 8.04 C ATOM 1373 CG GLN B 47 -28.225 11.371 -5.585 1.00 10.13 C ATOM 1374 CD GLN B 47 -28.281 12.768 -5.025 1.00 9.68 C ATOM 1375 OE1 GLN B 47 -28.662 13.709 -5.729 1.00 11.64 O ATOM 1376 NE2 GLN B 47 -27.916 12.924 -3.756 1.00 10.47 N ATOM 1377 HE22 GLN B 47 -27.602 12.103 -3.201 1.00 0.00 H ATOM 1378 HE21 GLN B 47 -27.945 13.867 -3.319 1.00 0.00 H ATOM 1379 H GLN B 47 -29.909 9.053 -4.322 1.00 0.00 H ATOM 1380 N ALA B 48 -32.645 9.478 -5.278 1.00 6.01 N ATOM 1381 CA ALA B 48 -33.923 8.995 -5.771 1.00 7.24 C ATOM 1382 C ALA B 48 -34.604 8.280 -4.619 1.00 6.95 C ATOM 1383 O ALA B 48 -33.953 7.982 -3.609 1.00 6.97 O ATOM 1384 CB ALA B 48 -33.725 8.040 -6.962 1.00 7.53 C ATOM 1385 H ALA B 48 -32.217 8.981 -4.471 1.00 0.00 H ATOM 1386 N PRO B 49 -35.909 8.021 -4.710 1.00 7.37 N ATOM 1387 CA PRO B 49 -36.580 7.357 -3.580 1.00 8.55 C ATOM 1388 C PRO B 49 -35.933 6.045 -3.189 1.00 6.90 C ATOM 1389 O PRO B 49 -35.896 5.711 -1.996 1.00 8.95 O ATOM 1390 CB PRO B 49 -38.021 7.195 -4.077 1.00 8.02 C ATOM 1391 CG PRO B 49 -38.204 8.387 -4.978 1.00 10.13 C ATOM 1392 CD PRO B 49 -36.876 8.533 -5.699 1.00 7.40 C ATOM 1393 N THR B 50 -35.402 5.302 -4.157 1.00 6.72 N ATOM 1394 CA THR B 50 -34.512 4.176 -3.899 1.00 7.49 C ATOM 1395 C THR B 50 -33.173 4.479 -4.552 1.00 5.20 C ATOM 1396 O THR B 50 -33.113 4.784 -5.747 1.00 6.08 O ATOM 1397 CB THR B 50 -35.090 2.874 -4.456 1.00 6.86 C ATOM 1398 OG1 THR B 50 -36.317 2.584 -3.778 1.00 9.74 O ATOM 1399 CG2 THR B 50 -34.113 1.720 -4.250 1.00 8.86 C ATOM 1400 HG1 THR B 50 -36.957 3.325 -3.925 1.00 0.00 H ATOM 1401 H THR B 50 -35.633 5.535 -5.144 1.00 0.00 H ATOM 1402 N HIS B 51 -32.106 4.415 -3.765 1.00 5.08 N ATOM 1403 CA HIS B 51 -30.762 4.651 -4.282 1.00 4.53 C ATOM 1404 C HIS B 51 -29.825 3.814 -3.430 1.00 4.12 C ATOM 1405 O HIS B 51 -29.615 4.123 -2.250 1.00 5.07 O ATOM 1406 CB HIS B 51 -30.415 6.138 -4.204 1.00 4.73 C ATOM 1407 CG HIS B 51 -29.043 6.471 -4.703 1.00 4.51 C ATOM 1408 ND1 HIS B 51 -28.543 7.756 -4.672 1.00 5.20 N ATOM 1409 CD2 HIS B 51 -28.071 5.700 -5.253 1.00 5.65 C ATOM 1410 CE1 HIS B 51 -27.320 7.760 -5.171 1.00 5.16 C ATOM 1411 NE2 HIS B 51 -27.007 6.526 -5.529 1.00 4.69 N ATOM 1412 H HIS B 51 -32.231 4.192 -2.757 1.00 0.00 H ATOM 1413 N PHE B 52 -29.284 2.750 -4.012 1.00 4.04 N ATOM 1414 CA PHE B 52 -28.372 1.874 -3.301 1.00 4.15 C ATOM 1415 C PHE B 52 -27.121 1.635 -4.134 1.00 4.17 C ATOM 1416 O PHE B 52 -27.062 1.979 -5.317 1.00 4.11 O ATOM 1417 CB PHE B 52 -29.043 0.561 -2.854 1.00 4.50 C ATOM 1418 CG PHE B 52 -29.484 -0.352 -3.980 1.00 4.03 C ATOM 1419 CD1 PHE B 52 -28.643 -1.361 -4.445 1.00 4.21 C ATOM 1420 CD2 PHE B 52 -30.751 -0.234 -4.543 1.00 5.01 C ATOM 1421 CE1 PHE B 52 -29.051 -2.218 -5.465 1.00 4.91 C ATOM 1422 CE2 PHE B 52 -31.164 -1.097 -5.554 1.00 5.73 C ATOM 1423 CZ PHE B 52 -30.314 -2.094 -6.009 1.00 5.15 C ATOM 1424 H PHE B 52 -29.520 2.539 -5.003 1.00 0.00 H ATOM 1425 N LEU B 53 -26.104 1.073 -3.479 1.00 4.32 N ATOM 1426 CA LEU B 53 -24.819 0.763 -4.084 1.00 4.03 C ATOM 1427 C LEU B 53 -24.569 -0.732 -4.006 1.00 2.70 C ATOM 1428 O LEU B 53 -24.969 -1.392 -3.038 1.00 4.61 O ATOM 1429 CB LEU B 53 -23.673 1.458 -3.341 1.00 4.58 C ATOM 1430 CG LEU B 53 -23.820 2.966 -3.163 1.00 4.27 C ATOM 1431 CD1 LEU B 53 -22.631 3.535 -2.400 1.00 8.79 C ATOM 1432 CD2 LEU B 53 -23.973 3.670 -4.496 1.00 6.43 C ATOM 1433 H LEU B 53 -26.239 0.842 -2.474 1.00 0.00 H ATOM 1434 N VAL B 54 -23.895 -1.264 -5.022 1.00 3.54 N ATOM 1435 CA VAL B 54 -23.358 -2.621 -4.990 1.00 3.90 C ATOM 1436 C VAL B 54 -21.860 -2.500 -5.188 1.00 4.24 C ATOM 1437 O VAL B 54 -21.414 -1.925 -6.188 1.00 4.08 O ATOM 1438 CB VAL B 54 -23.978 -3.530 -6.065 1.00 4.22 C ATOM 1439 CG1 VAL B 54 -23.543 -4.978 -5.821 1.00 6.87 C ATOM 1440 CG2 VAL B 54 -25.498 -3.398 -6.083 1.00 6.16 C ATOM 1441 H VAL B 54 -23.744 -0.689 -5.875 1.00 0.00 H ATOM 1442 N ILE B 55 -21.085 -3.021 -4.240 1.00 3.45 N ATOM 1443 CA ILE B 55 -19.629 -2.882 -4.292 1.00 4.08 C ATOM 1444 C ILE B 55 -18.958 -4.243 -4.171 1.00 4.59 C ATOM 1445 O ILE B 55 -19.461 -5.128 -3.462 1.00 4.44 O ATOM 1446 CB ILE B 55 -19.097 -1.903 -3.226 1.00 3.84 C ATOM 1447 CG1 ILE B 55 -19.162 -2.487 -1.805 1.00 4.28 C ATOM 1448 CG2 ILE B 55 -19.862 -0.590 -3.286 1.00 5.48 C ATOM 1449 CD1 ILE B 55 -18.597 -1.544 -0.746 1.00 5.64 C ATOM 1450 H ILE B 55 -21.521 -3.536 -3.449 1.00 0.00 H ATOM 1451 N PRO B 56 -17.823 -4.450 -4.827 1.00 3.91 N ATOM 1452 CA PRO B 56 -17.064 -5.682 -4.612 1.00 4.92 C ATOM 1453 C PRO B 56 -16.355 -5.603 -3.274 1.00 4.78 C ATOM 1454 O PRO B 56 -16.027 -4.521 -2.783 1.00 5.25 O ATOM 1455 CB PRO B 56 -16.046 -5.661 -5.760 1.00 4.91 C ATOM 1456 CG PRO B 56 -15.810 -4.199 -6.006 1.00 4.85 C ATOM 1457 CD PRO B 56 -17.134 -3.521 -5.739 1.00 5.03 C ATOM 1458 N LYS B 57 -16.145 -6.767 -2.665 1.00 4.53 N ATOM 1459 CA LYS B 57 -15.302 -6.801 -1.476 1.00 5.46 C ATOM 1460 C LYS B 57 -13.832 -6.607 -1.822 1.00 6.47 C ATOM 1461 O LYS B 57 -13.079 -6.042 -1.019 1.00 9.05 O ATOM 1462 CB LYS B 57 -15.558 -8.087 -0.688 1.00 6.26 C ATOM 1463 CG LYS B 57 -16.934 -8.082 -0.064 1.00 5.81 C ATOM 1464 CD LYS B 57 -17.222 -9.313 0.770 1.00 6.07 C ATOM 1465 CE LYS B 57 -18.521 -9.110 1.522 1.00 7.05 C ATOM 1466 NZ LYS B 57 -18.801 -10.240 2.445 1.00 6.29 N ATOM 1467 HZ1 LYS B 57 -18.871 -11.123 1.899 1.00 0.00 H ATOM 1468 HZ2 LYS B 57 -18.029 -10.320 3.137 1.00 0.00 H ATOM 1469 HZ3 LYS B 57 -19.698 -10.066 2.942 1.00 0.00 H ATOM 1470 H LYS B 57 -16.576 -7.640 -3.032 1.00 0.00 H ATOM 1471 N LYS B 58 -13.410 -7.051 -3.003 1.00 7.29 N ATOM 1472 CA LYS B 58 -12.061 -6.775 -3.483 1.00 7.48 C ATOM 1473 C LYS B 58 -11.919 -5.273 -3.700 1.00 7.27 C ATOM 1474 O LYS B 58 -12.785 -4.645 -4.319 1.00 8.80 O ATOM 1475 CB LYS B 58 -11.839 -7.509 -4.804 1.00 9.69 C ATOM 1476 CG LYS B 58 -10.480 -7.261 -5.446 1.00 9.52 C ATOM 1477 CD LYS B 58 -10.308 -8.073 -6.721 1.00 11.31 C ATOM 1478 CE LYS B 58 -8.930 -7.856 -7.331 1.00 16.87 C ATOM 1479 NZ LYS B 58 -8.750 -8.658 -8.574 1.00 17.29 N ATOM 1480 HZ1 LYS B 58 -8.857 -9.668 -8.352 1.00 0.00 H ATOM 1481 HZ2 LYS B 58 -9.468 -8.378 -9.273 1.00 0.00 H ATOM 1482 HZ3 LYS B 58 -7.801 -8.485 -8.962 1.00 0.00 H ATOM 1483 H LYS B 58 -14.057 -7.608 -3.597 1.00 0.00 H ATOM 1484 N HIS B 59 -10.845 -4.679 -3.182 1.00 8.28 N ATOM 1485 CA HIS B 59 -10.691 -3.230 -3.333 1.00 7.61 C ATOM 1486 C HIS B 59 -10.099 -2.903 -4.698 1.00 10.54 C ATOM 1487 O HIS B 59 -8.886 -2.779 -4.868 1.00 13.66 O ATOM 1488 CB HIS B 59 -9.889 -2.590 -2.205 1.00 11.02 C ATOM 1489 CG HIS B 59 -9.912 -1.089 -2.253 1.00 11.77 C ATOM 1490 ND1 HIS B 59 -9.084 -0.295 -1.489 1.00 21.64 N ATOM 1491 CD2 HIS B 59 -10.672 -0.240 -2.987 1.00 15.26 C ATOM 1492 CE1 HIS B 59 -9.332 0.977 -1.751 1.00 22.88 C ATOM 1493 NE2 HIS B 59 -10.289 1.038 -2.661 1.00 13.72 N ATOM 1494 H HIS B 59 -10.126 -5.236 -2.678 1.00 0.00 H ATOM 1495 N ILE B 60 -10.983 -2.746 -5.672 1.00 7.75 N ATOM 1496 CA ILE B 60 -10.669 -2.131 -6.958 1.00 7.07 C ATOM 1497 C ILE B 60 -11.001 -0.650 -6.812 1.00 6.92 C ATOM 1498 O ILE B 60 -12.135 -0.299 -6.471 1.00 6.81 O ATOM 1499 CB ILE B 60 -11.518 -2.767 -8.067 1.00 7.67 C ATOM 1500 CG1 ILE B 60 -11.426 -4.295 -8.010 1.00 8.95 C ATOM 1501 CG2 ILE B 60 -11.097 -2.241 -9.428 1.00 8.98 C ATOM 1502 CD1 ILE B 60 -12.322 -4.994 -9.011 1.00 11.91 C ATOM 1503 H ILE B 60 -11.955 -3.080 -5.511 1.00 0.00 H ATOM 1504 N SER B 61 -10.019 0.225 -7.038 1.00 6.03 N ATOM 1505 CA SER B 61 -10.225 1.634 -6.695 1.00 6.68 C ATOM 1506 C SER B 61 -11.157 2.339 -7.672 1.00 6.77 C ATOM 1507 O SER B 61 -11.857 3.283 -7.289 1.00 5.77 O ATOM 1508 CB SER B 61 -8.892 2.373 -6.624 1.00 9.16 C ATOM 1509 OG SER B 61 -8.237 2.343 -7.880 1.00 12.12 O ATOM 1510 HG SER B 61 -7.376 2.827 -7.813 1.00 0.00 H ATOM 1511 H SER B 61 -9.119 -0.090 -7.453 1.00 0.00 H ATOM 1512 N GLN B 62 -11.162 1.922 -8.933 1.00 6.33 N ATOM 1513 CA GLN B 62 -11.954 2.590 -9.956 1.00 6.27 C ATOM 1514 C GLN B 62 -12.008 1.685 -11.172 1.00 5.96 C ATOM 1515 O GLN B 62 -11.123 0.845 -11.379 1.00 6.69 O ATOM 1516 CB GLN B 62 -11.362 3.952 -10.331 1.00 9.99 C ATOM 1517 CG GLN B 62 -9.937 3.874 -10.789 1.00 11.24 C ATOM 1518 CD GLN B 62 -9.113 5.050 -10.311 1.00 14.48 C ATOM 1519 OE1 GLN B 62 -8.438 4.972 -9.281 1.00 16.37 O ATOM 1520 NE2 GLN B 62 -9.152 6.137 -11.054 1.00 14.43 N ATOM 1521 HE22 GLN B 62 -9.735 6.158 -11.915 1.00 0.00 H ATOM 1522 HE21 GLN B 62 -8.599 6.974 -10.780 1.00 0.00 H ATOM 1523 H GLN B 62 -10.586 1.097 -9.196 1.00 0.00 H ATOM 1524 N ILE B 63 -13.066 1.844 -11.966 1.00 5.89 N ATOM 1525 CA ILE B 63 -13.261 0.947 -13.102 1.00 5.49 C ATOM 1526 C ILE B 63 -12.085 1.002 -14.076 1.00 5.00 C ATOM 1527 O ILE B 63 -11.765 -0.001 -14.725 1.00 6.80 O ATOM 1528 CB ILE B 63 -14.635 1.194 -13.769 1.00 4.77 C ATOM 1529 CG1 ILE B 63 -15.027 0.019 -14.674 1.00 9.14 C ATOM 1530 CG2 ILE B 63 -14.664 2.512 -14.536 1.00 6.19 C ATOM 1531 CD1 ILE B 63 -15.329 -1.267 -13.922 1.00 11.48 C ATOM 1532 H ILE B 63 -13.750 2.604 -11.778 1.00 0.00 H ATOM 1533 N SER B 64 -11.409 2.148 -14.182 1.00 5.27 N ATOM 1534 CA SER B 64 -10.317 2.261 -15.148 1.00 5.52 C ATOM 1535 C SER B 64 -9.161 1.313 -14.846 1.00 7.26 C ATOM 1536 O SER B 64 -8.380 1.011 -15.755 1.00 8.46 O ATOM 1537 CB SER B 64 -9.798 3.700 -15.239 1.00 6.17 C ATOM 1538 OG SER B 64 -9.233 4.118 -14.011 1.00 7.65 O ATOM 1539 HG SER B 64 -8.907 5.049 -14.099 1.00 0.00 H ATOM 1540 H SER B 64 -11.658 2.958 -13.579 1.00 0.00 H ATOM 1541 N VAL B 65 -9.028 0.830 -13.613 1.00 7.22 N ATOM 1542 CA VAL B 65 -7.936 -0.070 -13.266 1.00 8.69 C ATOM 1543 C VAL B 65 -8.411 -1.502 -13.086 1.00 7.81 C ATOM 1544 O VAL B 65 -7.626 -2.362 -12.672 1.00 10.33 O ATOM 1545 CB VAL B 65 -7.113 0.418 -12.062 1.00 9.17 C ATOM 1546 CG1 VAL B 65 -6.595 1.825 -12.316 1.00 11.59 C ATOM 1547 CG2 VAL B 65 -7.927 0.356 -10.784 1.00 11.15 C ATOM 1548 H VAL B 65 -9.717 1.100 -12.883 1.00 0.00 H ATOM 1549 N ALA B 66 -9.675 -1.791 -13.387 1.00 7.26 N ATOM 1550 CA ALA B 66 -10.155 -3.161 -13.291 1.00 7.71 C ATOM 1551 C ALA B 66 -9.384 -4.057 -14.252 1.00 12.43 C ATOM 1552 O ALA B 66 -9.077 -3.666 -15.382 1.00 11.90 O ATOM 1553 CB ALA B 66 -11.650 -3.220 -13.603 1.00 9.61 C ATOM 1554 H ALA B 66 -10.321 -1.035 -13.692 1.00 0.00 H ATOM 1555 N GLU B 67 -9.052 -5.256 -13.782 1.00 17.39 N ATOM 1556 CA GLU B 67 -8.314 -6.237 -14.561 1.00 18.64 C ATOM 1557 C GLU B 67 -9.276 -7.121 -15.348 1.00 18.25 C ATOM 1558 O GLU B 67 -10.455 -7.255 -15.010 1.00 17.86 O ATOM 1559 CB GLU B 67 -7.447 -7.099 -13.640 1.00 23.82 C ATOM 1560 CG GLU B 67 -6.566 -6.322 -12.648 1.00 25.08 C ATOM 1561 CD GLU B 67 -6.460 -6.988 -11.276 1.00 40.67 C ATOM 1562 OE1 GLU B 67 -5.570 -7.847 -11.108 1.00 43.76 O ATOM 1563 OE2 GLU B 67 -7.246 -6.632 -10.369 1.00 44.02 O ATOM 1564 H GLU B 67 -9.333 -5.503 -12.812 1.00 0.00 H ATOM 1565 N ASP B 68 -8.755 -7.721 -16.421 1.00 18.38 N ATOM 1566 CA ASP B 68 -9.569 -8.609 -17.247 1.00 15.68 C ATOM 1567 C ASP B 68 -10.172 -9.742 -16.419 1.00 11.58 C ATOM 1568 O ASP B 68 -11.317 -10.151 -16.653 1.00 14.26 O ATOM 1569 CB ASP B 68 -8.725 -9.186 -18.386 1.00 19.95 C ATOM 1570 CG ASP B 68 -8.433 -8.172 -19.479 1.00 25.60 C ATOM 1571 OD1 ASP B 68 -8.658 -6.964 -19.258 1.00 20.75 O ATOM 1572 OD2 ASP B 68 -7.967 -8.587 -20.563 1.00 28.99 O ATOM 1573 H ASP B 68 -7.759 -7.554 -16.671 1.00 0.00 H ATOM 1574 N ASP B 69 -9.413 -10.261 -15.453 1.00 12.73 N ATOM 1575 CA ASP B 69 -9.894 -11.349 -14.608 1.00 15.62 C ATOM 1576 C ASP B 69 -11.072 -10.943 -13.730 1.00 13.11 C ATOM 1577 O ASP B 69 -11.738 -11.825 -13.177 1.00 13.85 O ATOM 1578 CB ASP B 69 -8.759 -11.879 -13.727 1.00 21.72 C ATOM 1579 CG ASP B 69 -7.720 -12.662 -14.510 1.00 28.87 C ATOM 1580 OD1 ASP B 69 -8.003 -13.057 -15.663 1.00 25.86 O ATOM 1581 OD2 ASP B 69 -6.621 -12.890 -13.964 1.00 32.25 O ATOM 1582 H ASP B 69 -8.457 -9.882 -15.299 1.00 0.00 H ATOM 1583 N ASP B 70 -11.332 -9.639 -13.581 1.00 11.50 N ATOM 1584 CA ASP B 70 -12.451 -9.127 -12.791 1.00 10.66 C ATOM 1585 C ASP B 70 -13.757 -9.106 -13.562 1.00 8.55 C ATOM 1586 O ASP B 70 -14.768 -8.649 -13.018 1.00 8.06 O ATOM 1587 CB ASP B 70 -12.200 -7.675 -12.378 1.00 17.04 C ATOM 1588 CG ASP B 70 -10.982 -7.506 -11.514 1.00 19.04 C ATOM 1589 OD1 ASP B 70 -10.790 -8.294 -10.560 1.00 14.63 O ATOM 1590 OD2 ASP B 70 -10.227 -6.553 -11.789 1.00 20.47 O ATOM 1591 H ASP B 70 -10.706 -8.954 -14.051 1.00 0.00 H ATOM 1592 N GLU B 71 -13.777 -9.576 -14.808 1.00 9.08 N ATOM 1593 CA GLU B 71 -14.961 -9.403 -15.641 1.00 10.39 C ATOM 1594 C GLU B 71 -16.199 -10.013 -14.998 1.00 9.21 C ATOM 1595 O GLU B 71 -17.251 -9.371 -14.912 1.00 8.37 O ATOM 1596 CB GLU B 71 -14.717 -10.031 -17.008 1.00 12.77 C ATOM 1597 CG GLU B 71 -14.924 -9.085 -18.142 1.00 17.20 C ATOM 1598 CD GLU B 71 -14.361 -9.612 -19.439 1.00 9.34 C ATOM 1599 OE1 GLU B 71 -13.707 -8.816 -20.145 1.00 8.16 O ATOM 1600 OE2 GLU B 71 -14.559 -10.817 -19.725 1.00 10.74 O ATOM 1601 H GLU B 71 -12.944 -10.069 -15.189 1.00 0.00 H ATOM 1602 N SER B 72 -16.110 -11.266 -14.562 1.00 6.89 N ATOM 1603 CA SER B 72 -17.314 -11.885 -14.031 1.00 7.90 C ATOM 1604 C SER B 72 -17.723 -11.271 -12.697 1.00 6.34 C ATOM 1605 O SER B 72 -18.917 -11.205 -12.406 1.00 6.19 O ATOM 1606 CB SER B 72 -17.183 -13.404 -13.969 1.00 11.83 C ATOM 1607 OG SER B 72 -16.248 -13.787 -12.991 1.00 13.05 O ATOM 1608 HG SER B 72 -15.364 -13.399 -13.211 1.00 0.00 H ATOM 1609 H SER B 72 -15.210 -11.786 -14.599 1.00 0.00 H ATOM 1610 N LEU B 73 -16.758 -10.797 -11.902 1.00 5.78 N ATOM 1611 CA LEU B 73 -17.082 -10.093 -10.664 1.00 5.55 C ATOM 1612 C LEU B 73 -17.864 -8.815 -10.945 1.00 5.00 C ATOM 1613 O LEU B 73 -18.858 -8.524 -10.267 1.00 6.02 O ATOM 1614 CB LEU B 73 -15.800 -9.774 -9.897 1.00 6.00 C ATOM 1615 CG LEU B 73 -15.971 -8.943 -8.624 1.00 5.72 C ATOM 1616 CD1 LEU B 73 -16.831 -9.677 -7.595 1.00 9.25 C ATOM 1617 CD2 LEU B 73 -14.602 -8.575 -8.067 1.00 9.49 C ATOM 1618 H LEU B 73 -15.762 -10.932 -12.169 1.00 0.00 H ATOM 1619 N LEU B 74 -17.439 -8.045 -11.952 1.00 5.08 N ATOM 1620 CA LEU B 74 -18.170 -6.833 -12.304 1.00 5.37 C ATOM 1621 C LEU B 74 -19.576 -7.164 -12.777 1.00 5.43 C ATOM 1622 O LEU B 74 -20.545 -6.499 -12.389 1.00 5.72 O ATOM 1623 CB LEU B 74 -17.413 -6.065 -13.383 1.00 7.26 C ATOM 1624 CG LEU B 74 -16.050 -5.526 -12.979 1.00 6.05 C ATOM 1625 CD1 LEU B 74 -15.356 -4.992 -14.229 1.00 7.93 C ATOM 1626 CD2 LEU B 74 -16.177 -4.441 -11.917 1.00 9.01 C ATOM 1627 H LEU B 74 -16.586 -8.311 -12.485 1.00 0.00 H ATOM 1628 N GLY B 75 -19.714 -8.200 -13.603 1.00 4.27 N ATOM 1629 CA GLY B 75 -21.044 -8.632 -13.998 1.00 5.65 C ATOM 1630 C GLY B 75 -21.879 -9.099 -12.820 1.00 4.52 C ATOM 1631 O GLY B 75 -23.094 -8.896 -12.789 1.00 6.08 O ATOM 1632 H GLY B 75 -18.874 -8.697 -13.963 1.00 0.00 H ATOM 1633 N HIS B 76 -21.233 -9.751 -11.842 1.00 4.58 N ATOM 1634 CA HIS B 76 -21.916 -10.150 -10.614 1.00 5.55 C ATOM 1635 C HIS B 76 -22.515 -8.948 -9.893 1.00 4.92 C ATOM 1636 O HIS B 76 -23.629 -9.031 -9.363 1.00 4.99 O ATOM 1637 CB HIS B 76 -20.937 -10.902 -9.710 1.00 5.89 C ATOM 1638 CG HIS B 76 -21.570 -11.528 -8.505 1.00 5.20 C ATOM 1639 ND1 HIS B 76 -22.396 -12.628 -8.584 1.00 6.67 N ATOM 1640 CD2 HIS B 76 -21.497 -11.207 -7.191 1.00 5.28 C ATOM 1641 CE1 HIS B 76 -22.792 -12.969 -7.369 1.00 6.08 C ATOM 1642 NE2 HIS B 76 -22.255 -12.126 -6.506 1.00 5.14 N ATOM 1643 H HIS B 76 -20.225 -9.977 -11.960 1.00 0.00 H ATOM 1644 N LEU B 77 -21.796 -7.820 -9.867 1.00 4.19 N ATOM 1645 CA LEU B 77 -22.359 -6.614 -9.263 1.00 5.39 C ATOM 1646 C LEU B 77 -23.656 -6.210 -9.950 1.00 4.44 C ATOM 1647 O LEU B 77 -24.621 -5.812 -9.285 1.00 4.64 O ATOM 1648 CB LEU B 77 -21.367 -5.452 -9.324 1.00 5.27 C ATOM 1649 CG LEU B 77 -19.974 -5.684 -8.752 1.00 4.49 C ATOM 1650 CD1 LEU B 77 -19.157 -4.419 -8.936 1.00 8.54 C ATOM 1651 CD2 LEU B 77 -20.024 -6.062 -7.281 1.00 6.87 C ATOM 1652 H LEU B 77 -20.840 -7.801 -10.275 1.00 0.00 H ATOM 1653 N MET B 78 -23.696 -6.309 -11.290 1.00 4.21 N ATOM 1654 CA MET B 78 -24.898 -5.939 -12.032 1.00 5.43 C ATOM 1655 C MET B 78 -26.041 -6.920 -11.810 1.00 4.22 C ATOM 1656 O MET B 78 -27.200 -6.503 -11.706 1.00 4.72 O ATOM 1657 CB MET B 78 -24.580 -5.823 -13.520 1.00 6.12 C ATOM 1658 CG MET B 78 -23.685 -4.638 -13.847 1.00 7.49 C ATOM 1659 SD MET B 78 -23.502 -4.399 -15.610 1.00 14.33 S ATOM 1660 CE MET B 78 -25.175 -4.037 -16.069 1.00 17.40 C ATOM 1661 H MET B 78 -22.860 -6.653 -11.805 1.00 0.00 H ATOM 1662 N ILE B 79 -25.745 -8.225 -11.772 1.00 4.28 N ATOM 1663 CA ILE B 79 -26.789 -9.213 -11.508 1.00 5.48 C ATOM 1664 C ILE B 79 -27.341 -9.045 -10.095 1.00 3.73 C ATOM 1665 O ILE B 79 -28.560 -9.041 -9.884 1.00 5.14 O ATOM 1666 CB ILE B 79 -26.270 -10.642 -11.760 1.00 4.91 C ATOM 1667 CG1 ILE B 79 -25.976 -10.863 -13.248 1.00 6.81 C ATOM 1668 CG2 ILE B 79 -27.267 -11.681 -11.229 1.00 6.99 C ATOM 1669 CD1 ILE B 79 -27.177 -10.650 -14.178 1.00 7.27 C ATOM 1670 H ILE B 79 -24.766 -8.538 -11.931 1.00 0.00 H ATOM 1671 N VAL B 80 -26.453 -8.881 -9.108 1.00 4.65 N ATOM 1672 CA VAL B 80 -26.916 -8.591 -7.751 1.00 5.01 C ATOM 1673 C VAL B 80 -27.743 -7.312 -7.735 1.00 5.10 C ATOM 1674 O VAL B 80 -28.822 -7.257 -7.130 1.00 4.98 O ATOM 1675 CB VAL B 80 -25.726 -8.530 -6.773 1.00 4.95 C ATOM 1676 CG1 VAL B 80 -26.143 -7.964 -5.405 1.00 5.00 C ATOM 1677 CG2 VAL B 80 -25.109 -9.916 -6.614 1.00 6.41 C ATOM 1678 H VAL B 80 -25.435 -8.960 -9.305 1.00 0.00 H ATOM 1679 N GLY B 81 -27.265 -6.277 -8.422 1.00 5.28 N ATOM 1680 CA GLY B 81 -27.997 -5.024 -8.451 1.00 5.47 C ATOM 1681 C GLY B 81 -29.395 -5.175 -9.017 1.00 5.10 C ATOM 1682 O GLY B 81 -30.362 -4.650 -8.458 1.00 5.63 O ATOM 1683 H GLY B 81 -26.367 -6.366 -8.938 1.00 0.00 H ATOM 1684 N LYS B 82 -29.528 -5.899 -10.138 1.00 5.11 N ATOM 1685 CA LYS B 82 -30.862 -6.033 -10.720 1.00 5.72 C ATOM 1686 C LYS B 82 -31.769 -6.905 -9.854 1.00 5.54 C ATOM 1687 O LYS B 82 -32.973 -6.636 -9.758 1.00 6.60 O ATOM 1688 CB LYS B 82 -30.804 -6.464 -12.190 1.00 9.22 C ATOM 1689 CG LYS B 82 -30.413 -7.900 -12.428 1.00 7.30 C ATOM 1690 CD LYS B 82 -31.638 -8.778 -12.570 1.00 10.93 C ATOM 1691 CE LYS B 82 -31.288 -10.102 -13.220 1.00 13.10 C ATOM 1692 NZ LYS B 82 -32.511 -10.938 -13.424 1.00 16.12 N ATOM 1693 HZ1 LYS B 82 -32.959 -11.125 -12.504 1.00 0.00 H ATOM 1694 HZ2 LYS B 82 -33.178 -10.430 -14.039 1.00 0.00 H ATOM 1695 HZ3 LYS B 82 -32.243 -11.838 -13.870 1.00 0.00 H ATOM 1696 H LYS B 82 -28.704 -6.353 -10.581 1.00 0.00 H ATOM 1697 N LYS B 83 -31.212 -7.918 -9.187 1.00 5.87 N ATOM 1698 CA LYS B 83 -32.022 -8.728 -8.279 1.00 7.55 C ATOM 1699 C LYS B 83 -32.471 -7.915 -7.072 1.00 7.25 C ATOM 1700 O LYS B 83 -33.632 -8.004 -6.653 1.00 7.89 O ATOM 1701 CB LYS B 83 -31.256 -9.978 -7.849 1.00 7.84 C ATOM 1702 CG LYS B 83 -31.120 -10.995 -8.976 1.00 7.42 C ATOM 1703 CD LYS B 83 -30.348 -12.231 -8.560 1.00 10.03 C ATOM 1704 CE LYS B 83 -30.298 -13.234 -9.697 1.00 10.74 C ATOM 1705 NZ LYS B 83 -29.588 -14.472 -9.270 1.00 12.89 N ATOM 1706 HZ1 LYS B 83 -28.616 -14.233 -8.987 1.00 0.00 H ATOM 1707 HZ2 LYS B 83 -30.090 -14.898 -8.465 1.00 0.00 H ATOM 1708 HZ3 LYS B 83 -29.564 -15.147 -10.061 1.00 0.00 H ATOM 1709 H LYS B 83 -30.202 -8.131 -9.313 1.00 0.00 H ATOM 1710 N CYS B 84 -31.570 -7.103 -6.510 1.00 6.93 N ATOM 1711 CA CYS B 84 -31.949 -6.229 -5.404 1.00 6.65 C ATOM 1712 C CYS B 84 -33.009 -5.224 -5.834 1.00 7.15 C ATOM 1713 O CYS B 84 -33.948 -4.943 -5.077 1.00 8.08 O ATOM 1714 CB CYS B 84 -30.728 -5.493 -4.853 1.00 7.10 C ATOM 1715 SG CYS B 84 -29.561 -6.521 -3.941 1.00 8.02 S ATOM 1716 H CYS B 84 -30.592 -7.094 -6.863 1.00 0.00 H ATOM 1717 N ALA B 85 -32.881 -4.671 -7.048 1.00 5.96 N ATOM 1718 CA ALA B 85 -33.866 -3.705 -7.523 1.00 5.69 C ATOM 1719 C ALA B 85 -35.253 -4.332 -7.588 1.00 7.99 C ATOM 1720 O ALA B 85 -36.242 -3.715 -7.173 1.00 8.03 O ATOM 1721 CB ALA B 85 -33.445 -3.141 -8.879 1.00 6.11 C ATOM 1722 H ALA B 85 -32.077 -4.931 -7.654 1.00 0.00 H ATOM 1723 N ALA B 86 -35.340 -5.573 -8.076 1.00 6.86 N ATOM 1724 CA ALA B 86 -36.630 -6.252 -8.115 1.00 8.99 C ATOM 1725 C ALA B 86 -37.168 -6.488 -6.709 1.00 10.18 C ATOM 1726 O ALA B 86 -38.356 -6.264 -6.448 1.00 12.97 O ATOM 1727 CB ALA B 86 -36.512 -7.565 -8.888 1.00 10.10 C ATOM 1728 H ALA B 86 -34.488 -6.054 -8.428 1.00 0.00 H ATOM 1729 N ASP B 87 -36.305 -6.926 -5.787 1.00 9.37 N ATOM 1730 CA ASP B 87 -36.738 -7.160 -4.411 1.00 10.93 C ATOM 1731 C ASP B 87 -37.198 -5.877 -3.731 1.00 12.05 C ATOM 1732 O ASP B 87 -38.046 -5.922 -2.832 1.00 15.39 O ATOM 1733 CB ASP B 87 -35.614 -7.808 -3.597 1.00 12.90 C ATOM 1734 CG ASP B 87 -35.357 -9.254 -3.987 1.00 30.78 C ATOM 1735 OD1 ASP B 87 -34.242 -9.753 -3.715 1.00 34.22 O ATOM 1736 OD2 ASP B 87 -36.263 -9.892 -4.565 1.00 31.03 O ATOM 1737 H ASP B 87 -35.315 -7.102 -6.052 1.00 0.00 H ATOM 1738 N LEU B 88 -36.653 -4.732 -4.129 1.00 9.60 N ATOM 1739 CA LEU B 88 -37.041 -3.451 -3.562 1.00 9.93 C ATOM 1740 C LEU B 88 -38.231 -2.827 -4.286 1.00 11.55 C ATOM 1741 O LEU B 88 -38.577 -1.674 -4.010 1.00 14.05 O ATOM 1742 CB LEU B 88 -35.840 -2.501 -3.528 1.00 9.37 C ATOM 1743 CG LEU B 88 -34.731 -2.891 -2.547 1.00 9.34 C ATOM 1744 CD1 LEU B 88 -33.468 -2.085 -2.800 1.00 13.14 C ATOM 1745 CD2 LEU B 88 -35.196 -2.700 -1.110 1.00 13.56 C ATOM 1746 H LEU B 88 -35.925 -4.753 -4.871 1.00 0.00 H ATOM 1747 N GLY B 89 -38.852 -3.563 -5.208 1.00 9.11 N ATOM 1748 CA GLY B 89 -40.086 -3.121 -5.833 1.00 13.07 C ATOM 1749 C GLY B 89 -39.955 -2.148 -6.984 1.00 11.49 C ATOM 1750 O GLY B 89 -40.933 -1.469 -7.314 1.00 12.02 O ATOM 1751 H GLY B 89 -38.442 -4.477 -5.487 1.00 0.00 H ATOM 1752 N LEU B 90 -38.789 -2.074 -7.631 1.00 9.85 N ATOM 1753 CA LEU B 90 -38.561 -1.118 -8.717 1.00 11.16 C ATOM 1754 C LEU B 90 -39.076 -1.660 -10.054 1.00 12.75 C ATOM 1755 O LEU B 90 -38.349 -1.786 -11.041 1.00 11.48 O ATOM 1756 CB LEU B 90 -37.087 -0.743 -8.786 1.00 9.40 C ATOM 1757 CG LEU B 90 -36.524 -0.115 -7.510 1.00 9.03 C ATOM 1758 CD1 LEU B 90 -35.069 0.299 -7.709 1.00 9.04 C ATOM 1759 CD2 LEU B 90 -37.368 1.072 -7.055 1.00 13.07 C ATOM 1760 H LEU B 90 -38.018 -2.716 -7.355 1.00 0.00 H ATOM 1761 N ASN B 91 -40.378 -1.950 -10.079 1.00 10.25 N ATOM 1762 CA ASN B 91 -40.992 -2.591 -11.237 1.00 11.33 C ATOM 1763 C ASN B 91 -41.179 -1.653 -12.426 1.00 11.21 C ATOM 1764 O ASN B 91 -41.474 -2.138 -13.524 1.00 13.40 O ATOM 1765 CB ASN B 91 -42.335 -3.220 -10.844 1.00 12.47 C ATOM 1766 CG ASN B 91 -43.398 -2.180 -10.566 1.00 14.22 C ATOM 1767 OD1 ASN B 91 -43.235 -1.334 -9.694 1.00 22.20 O ATOM 1768 ND2 ASN B 91 -44.488 -2.228 -11.324 1.00 37.64 N ATOM 1769 HD22 ASN B 91 -44.583 -2.964 -12.052 1.00 0.00 H ATOM 1770 HD21 ASN B 91 -45.246 -1.529 -11.189 1.00 0.00 H ATOM 1771 H ASN B 91 -40.968 -1.714 -9.256 1.00 0.00 H ATOM 1772 N LYS B 92 -41.041 -0.345 -12.241 1.00 9.72 N ATOM 1773 CA LYS B 92 -41.108 0.600 -13.346 1.00 9.45 C ATOM 1774 C LYS B 92 -39.742 0.912 -13.940 1.00 9.55 C ATOM 1775 O LYS B 92 -39.670 1.648 -14.930 1.00 9.48 O ATOM 1776 CB LYS B 92 -41.791 1.900 -12.910 1.00 11.41 C ATOM 1777 CG LYS B 92 -43.256 1.739 -12.521 1.00 17.98 C ATOM 1778 CD LYS B 92 -43.900 3.097 -12.278 1.00 24.41 C ATOM 1779 CE LYS B 92 -43.727 4.009 -13.483 1.00 26.84 C ATOM 1780 NZ LYS B 92 -44.275 5.375 -13.239 1.00 35.88 N ATOM 1781 HZ1 LYS B 92 -45.291 5.307 -13.028 1.00 0.00 H ATOM 1782 HZ2 LYS B 92 -43.780 5.807 -12.433 1.00 0.00 H ATOM 1783 HZ3 LYS B 92 -44.134 5.960 -14.087 1.00 0.00 H ATOM 1784 H LYS B 92 -40.880 0.014 -11.278 1.00 0.00 H ATOM 1785 N GLY B 93 -38.668 0.380 -13.376 1.00 8.59 N ATOM 1786 CA GLY B 93 -37.340 0.561 -13.923 1.00 9.02 C ATOM 1787 C GLY B 93 -36.415 1.293 -12.968 1.00 6.72 C ATOM 1788 O GLY B 93 -36.770 1.635 -11.839 1.00 7.48 O ATOM 1789 H GLY B 93 -38.783 -0.187 -12.511 1.00 0.00 H ATOM 1790 N TYR B 94 -35.197 1.520 -13.450 1.00 6.59 N ATOM 1791 CA TYR B 94 -34.142 2.094 -12.625 1.00 5.83 C ATOM 1792 C TYR B 94 -32.963 2.401 -13.537 1.00 4.75 C ATOM 1793 O TYR B 94 -32.946 2.012 -14.707 1.00 5.45 O ATOM 1794 CB TYR B 94 -33.735 1.140 -11.492 1.00 5.77 C ATOM 1795 CG TYR B 94 -33.509 -0.283 -11.933 1.00 5.18 C ATOM 1796 CD1 TYR B 94 -32.276 -0.697 -12.441 1.00 6.15 C ATOM 1797 CD2 TYR B 94 -34.523 -1.227 -11.828 1.00 6.44 C ATOM 1798 CE1 TYR B 94 -32.073 -2.009 -12.841 1.00 5.64 C ATOM 1799 CE2 TYR B 94 -34.331 -2.534 -12.229 1.00 7.45 C ATOM 1800 CZ TYR B 94 -33.101 -2.920 -12.730 1.00 6.20 C ATOM 1801 OH TYR B 94 -32.896 -4.221 -13.131 1.00 7.99 O ATOM 1802 HH TYR B 94 -33.043 -4.829 -12.363 1.00 0.00 H ATOM 1803 H TYR B 94 -34.992 1.282 -14.441 1.00 0.00 H ATOM 1804 N ARG B 95 -31.979 3.109 -12.986 1.00 4.85 N ATOM 1805 CA ARG B 95 -30.751 3.446 -13.695 1.00 3.55 C ATOM 1806 C ARG B 95 -29.555 2.947 -12.900 1.00 3.98 C ATOM 1807 O ARG B 95 -29.489 3.144 -11.679 1.00 4.86 O ATOM 1808 CB ARG B 95 -30.638 4.957 -13.892 1.00 4.69 C ATOM 1809 CG ARG B 95 -29.305 5.408 -14.486 1.00 4.76 C ATOM 1810 CD ARG B 95 -29.384 6.848 -14.951 1.00 3.89 C ATOM 1811 NE ARG B 95 -30.341 6.980 -16.043 1.00 4.86 N ATOM 1812 CZ ARG B 95 -30.887 8.123 -16.440 1.00 3.88 C ATOM 1813 NH1 ARG B 95 -30.585 9.270 -15.842 1.00 4.79 N ATOM 1814 NH2 ARG B 95 -31.760 8.112 -17.441 1.00 5.16 N ATOM 1815 HE ARG B 95 -30.616 6.114 -16.549 1.00 0.00 H ATOM 1816 HH12 ARG B 95 -31.022 10.156 -16.166 1.00 0.00 H ATOM 1817 HH11 ARG B 95 -29.911 9.282 -15.050 1.00 0.00 H ATOM 1818 HH22 ARG B 95 -32.195 9.001 -17.762 1.00 0.00 H ATOM 1819 HH21 ARG B 95 -32.009 7.215 -17.904 1.00 0.00 H ATOM 1820 H ARG B 95 -32.092 3.436 -12.005 1.00 0.00 H ATOM 1821 N MET B 96 -28.612 2.309 -13.596 1.00 4.66 N ATOM 1822 CA MET B 96 -27.344 1.878 -13.016 1.00 4.59 C ATOM 1823 C MET B 96 -26.243 2.827 -13.461 1.00 3.61 C ATOM 1824 O MET B 96 -26.204 3.229 -14.629 1.00 3.75 O ATOM 1825 CB MET B 96 -26.986 0.471 -13.482 1.00 4.32 C ATOM 1826 CG MET B 96 -27.843 -0.588 -12.828 1.00 5.34 C ATOM 1827 SD MET B 96 -27.450 -2.228 -13.429 1.00 6.45 S ATOM 1828 CE MET B 96 -28.310 -3.234 -12.227 1.00 7.94 C ATOM 1829 H MET B 96 -28.789 2.109 -14.601 1.00 0.00 H ATOM 1830 N VAL B 97 -25.357 3.196 -12.532 1.00 3.55 N ATOM 1831 CA VAL B 97 -24.304 4.172 -12.814 1.00 4.20 C ATOM 1832 C VAL B 97 -22.992 3.716 -12.190 1.00 3.44 C ATOM 1833 O VAL B 97 -22.961 3.297 -11.028 1.00 3.96 O ATOM 1834 CB VAL B 97 -24.672 5.570 -12.269 1.00 2.98 C ATOM 1835 CG1 VAL B 97 -23.583 6.590 -12.591 1.00 6.59 C ATOM 1836 CG2 VAL B 97 -26.022 6.036 -12.803 1.00 5.80 C ATOM 1837 H VAL B 97 -25.417 2.778 -11.582 1.00 0.00 H ATOM 1838 N VAL B 98 -21.900 3.824 -12.950 1.00 3.84 N ATOM 1839 CA VAL B 98 -20.548 3.751 -12.405 1.00 4.42 C ATOM 1840 C VAL B 98 -19.824 5.032 -12.787 1.00 3.83 C ATOM 1841 O VAL B 98 -19.785 5.400 -13.968 1.00 3.97 O ATOM 1842 CB VAL B 98 -19.781 2.522 -12.925 1.00 3.35 C ATOM 1843 CG1 VAL B 98 -18.359 2.506 -12.365 1.00 6.50 C ATOM 1844 CG2 VAL B 98 -20.515 1.239 -12.560 1.00 5.90 C ATOM 1845 H VAL B 98 -22.017 3.966 -13.974 1.00 0.00 H ATOM 1846 N ASN B 99 -19.267 5.714 -11.793 1.00 3.62 N ATOM 1847 CA ASN B 99 -18.509 6.944 -12.008 1.00 3.61 C ATOM 1848 C ASN B 99 -17.011 6.674 -11.983 1.00 4.40 C ATOM 1849 O ASN B 99 -16.516 5.963 -11.104 1.00 5.38 O ATOM 1850 CB ASN B 99 -18.808 7.946 -10.901 1.00 4.07 C ATOM 1851 CG ASN B 99 -20.272 8.293 -10.806 1.00 4.62 C ATOM 1852 OD1 ASN B 99 -20.954 8.450 -11.819 1.00 4.78 O ATOM 1853 ND2 ASN B 99 -20.765 8.436 -9.577 1.00 5.94 N ATOM 1854 HD22 ASN B 99 -20.150 8.293 -8.750 1.00 0.00 H ATOM 1855 HD21 ASN B 99 -21.765 8.690 -9.444 1.00 0.00 H ATOM 1856 H ASN B 99 -19.375 5.358 -10.822 1.00 0.00 H ATOM 1857 N GLU B 100 -16.287 7.284 -12.924 1.00 4.11 N ATOM 1858 CA GLU B 100 -14.831 7.189 -12.993 1.00 4.86 C ATOM 1859 C GLU B 100 -14.207 8.575 -12.885 1.00 3.77 C ATOM 1860 O GLU B 100 -14.438 9.437 -13.742 1.00 4.30 O ATOM 1861 CB GLU B 100 -14.382 6.522 -14.295 1.00 5.07 C ATOM 1862 CG GLU B 100 -12.886 6.678 -14.602 1.00 6.02 C ATOM 1863 CD GLU B 100 -11.989 5.827 -13.724 1.00 6.91 C ATOM 1864 OE1 GLU B 100 -12.441 4.778 -13.216 1.00 6.48 O ATOM 1865 OE2 GLU B 100 -10.810 6.214 -13.550 1.00 8.27 O ATOM 1866 H GLU B 100 -16.782 7.853 -13.640 1.00 0.00 H ATOM 1867 N GLY B 101 -13.394 8.779 -11.856 1.00 4.24 N ATOM 1868 CA GLY B 101 -12.533 9.948 -11.805 1.00 6.78 C ATOM 1869 C GLY B 101 -13.266 11.268 -11.606 1.00 5.04 C ATOM 1870 O GLY B 101 -14.443 11.333 -11.245 1.00 5.48 O ATOM 1871 H GLY B 101 -13.373 8.092 -11.075 1.00 0.00 H ATOM 1872 N SER B 102 -12.516 12.338 -11.873 1.00 6.93 N ATOM 1873 CA SER B 102 -12.992 13.693 -11.617 1.00 7.16 C ATOM 1874 C SER B 102 -14.172 14.044 -12.514 1.00 5.03 C ATOM 1875 O SER B 102 -15.226 14.475 -12.032 1.00 5.22 O ATOM 1876 CB SER B 102 -11.843 14.678 -11.831 1.00 11.86 C ATOM 1877 OG SER B 102 -12.261 16.014 -11.637 1.00 11.93 O ATOM 1878 HG SER B 102 -12.982 16.230 -12.280 1.00 0.00 H ATOM 1879 H SER B 102 -11.566 12.203 -12.275 1.00 0.00 H ATOM 1880 N ASP B 103 -14.006 13.881 -13.829 1.00 5.31 N ATOM 1881 CA ASP B 103 -15.089 14.194 -14.760 1.00 5.31 C ATOM 1882 C ASP B 103 -16.296 13.295 -14.535 1.00 4.70 C ATOM 1883 O ASP B 103 -17.436 13.720 -14.753 1.00 5.20 O ATOM 1884 CB ASP B 103 -14.626 14.090 -16.218 1.00 7.40 C ATOM 1885 CG ASP B 103 -14.036 15.386 -16.752 1.00 8.54 C ATOM 1886 OD1 ASP B 103 -14.018 16.397 -16.019 1.00 9.47 O ATOM 1887 OD2 ASP B 103 -13.593 15.374 -17.922 1.00 8.68 O ATOM 1888 H ASP B 103 -13.098 13.528 -14.194 1.00 0.00 H ATOM 1889 N GLY B 104 -16.072 12.052 -14.101 1.00 3.90 N ATOM 1890 CA GLY B 104 -17.200 11.182 -13.821 1.00 4.78 C ATOM 1891 C GLY B 104 -17.900 11.463 -12.510 1.00 3.87 C ATOM 1892 O GLY B 104 -18.959 10.881 -12.247 1.00 4.99 O ATOM 1893 H GLY B 104 -15.099 11.711 -13.965 1.00 0.00 H ATOM 1894 N GLY B 105 -17.352 12.361 -11.692 1.00 3.13 N ATOM 1895 CA GLY B 105 -17.958 12.660 -10.411 1.00 4.28 C ATOM 1896 C GLY B 105 -17.820 11.555 -9.394 1.00 4.45 C ATOM 1897 O GLY B 105 -18.638 11.475 -8.474 1.00 5.25 O ATOM 1898 H GLY B 105 -16.480 12.852 -11.976 1.00 0.00 H ATOM 1899 N GLN B 106 -16.809 10.697 -9.533 1.00 3.92 N ATOM 1900 CA GLN B 106 -16.620 9.604 -8.590 1.00 3.84 C ATOM 1901 C GLN B 106 -16.336 10.167 -7.205 1.00 5.36 C ATOM 1902 O GLN B 106 -15.434 10.989 -7.034 1.00 5.74 O ATOM 1903 CB GLN B 106 -15.453 8.729 -9.057 1.00 4.01 C ATOM 1904 CG GLN B 106 -15.235 7.512 -8.167 1.00 4.80 C ATOM 1905 CD GLN B 106 -14.206 6.538 -8.700 1.00 4.83 C ATOM 1906 OE1 GLN B 106 -13.538 6.797 -9.702 1.00 5.55 O ATOM 1907 NE2 GLN B 106 -14.088 5.391 -8.034 1.00 6.38 N ATOM 1908 HE22 GLN B 106 -14.673 5.216 -7.192 1.00 0.00 H ATOM 1909 HE21 GLN B 106 -13.410 4.670 -8.355 1.00 0.00 H ATOM 1910 H GLN B 106 -16.146 10.810 -10.326 1.00 0.00 H ATOM 1911 N SER B 107 -17.118 9.739 -6.218 1.00 4.07 N ATOM 1912 CA SER B 107 -17.019 10.305 -4.875 1.00 4.85 C ATOM 1913 C SER B 107 -16.205 9.452 -3.910 1.00 5.16 C ATOM 1914 O SER B 107 -15.719 9.986 -2.902 1.00 4.89 O ATOM 1915 CB SER B 107 -18.416 10.556 -4.292 1.00 6.39 C ATOM 1916 OG SER B 107 -19.164 9.354 -4.233 1.00 7.58 O ATOM 1917 HG SER B 107 -20.059 9.542 -3.854 1.00 0.00 H ATOM 1918 H SER B 107 -17.812 8.988 -6.406 1.00 0.00 H ATOM 1919 N VAL B 108 -16.061 8.151 -4.180 1.00 4.64 N ATOM 1920 CA VAL B 108 -15.303 7.228 -3.339 1.00 3.88 C ATOM 1921 C VAL B 108 -14.475 6.356 -4.264 1.00 3.74 C ATOM 1922 O VAL B 108 -15.014 5.774 -5.210 1.00 4.35 O ATOM 1923 CB VAL B 108 -16.216 6.349 -2.460 1.00 3.91 C ATOM 1924 CG1 VAL B 108 -15.379 5.391 -1.611 1.00 5.39 C ATOM 1925 CG2 VAL B 108 -17.102 7.219 -1.578 1.00 5.00 C ATOM 1926 H VAL B 108 -16.514 7.775 -5.037 1.00 0.00 H ATOM 1927 N TYR B 109 -13.178 6.244 -3.986 1.00 4.62 N ATOM 1928 CA TYR B 109 -12.277 5.439 -4.813 1.00 4.89 C ATOM 1929 C TYR B 109 -12.283 3.971 -4.377 1.00 5.23 C ATOM 1930 O TYR B 109 -11.279 3.372 -3.985 1.00 5.60 O ATOM 1931 CB TYR B 109 -10.886 6.064 -4.878 1.00 7.73 C ATOM 1932 CG TYR B 109 -10.867 7.181 -5.906 1.00 8.92 C ATOM 1933 CD1 TYR B 109 -11.077 8.505 -5.549 1.00 19.14 C ATOM 1934 CD2 TYR B 109 -10.724 6.884 -7.250 1.00 13.94 C ATOM 1935 CE1 TYR B 109 -11.090 9.509 -6.514 1.00 16.69 C ATOM 1936 CE2 TYR B 109 -10.736 7.870 -8.214 1.00 14.41 C ATOM 1937 CZ TYR B 109 -10.922 9.174 -7.842 1.00 13.11 C ATOM 1938 OH TYR B 109 -10.937 10.141 -8.824 1.00 14.69 O ATOM 1939 HH TYR B 109 -11.079 11.029 -8.409 1.00 0.00 H ATOM 1940 H TYR B 109 -12.794 6.742 -3.158 1.00 0.00 H ATOM 1941 N HIS B 110 -13.483 3.408 -4.478 1.00 5.07 N ATOM 1942 CA HIS B 110 -13.752 1.978 -4.378 1.00 4.07 C ATOM 1943 C HIS B 110 -14.885 1.769 -5.367 1.00 4.88 C ATOM 1944 O HIS B 110 -15.929 2.417 -5.236 1.00 5.54 O ATOM 1945 CB HIS B 110 -14.206 1.628 -2.950 1.00 5.67 C ATOM 1946 CG HIS B 110 -14.374 0.160 -2.700 1.00 4.24 C ATOM 1947 ND1 HIS B 110 -13.693 -0.499 -1.698 1.00 6.57 N ATOM 1948 CD2 HIS B 110 -15.150 -0.772 -3.307 1.00 5.47 C ATOM 1949 CE1 HIS B 110 -14.040 -1.775 -1.704 1.00 6.66 C ATOM 1950 NE2 HIS B 110 -14.923 -1.967 -2.669 1.00 5.15 N ATOM 1951 H HIS B 110 -14.295 4.037 -4.641 1.00 0.00 H ATOM 1952 N VAL B 111 -14.673 0.922 -6.375 1.00 4.12 N ATOM 1953 CA VAL B 111 -15.647 0.835 -7.457 1.00 4.67 C ATOM 1954 C VAL B 111 -17.013 0.465 -6.893 1.00 4.16 C ATOM 1955 O VAL B 111 -17.145 -0.450 -6.070 1.00 4.49 O ATOM 1956 CB VAL B 111 -15.154 -0.102 -8.572 1.00 5.22 C ATOM 1957 CG1 VAL B 111 -15.061 -1.535 -8.089 1.00 4.09 C ATOM 1958 CG2 VAL B 111 -16.050 0.011 -9.801 1.00 5.16 C ATOM 1959 H VAL B 111 -13.819 0.328 -6.389 1.00 0.00 H ATOM 1960 N ASN B 112 -18.030 1.226 -7.289 1.00 3.46 N ATOM 1961 CA ASN B 112 -19.370 1.103 -6.739 1.00 3.44 C ATOM 1962 C ASN B 112 -20.404 1.336 -7.825 1.00 3.50 C ATOM 1963 O ASN B 112 -20.317 2.305 -8.586 1.00 4.16 O ATOM 1964 CB ASN B 112 -19.586 2.015 -5.505 1.00 4.68 C ATOM 1965 CG ASN B 112 -19.481 3.508 -5.805 1.00 4.40 C ATOM 1966 OD1 ASN B 112 -20.502 4.203 -5.869 1.00 5.31 O ATOM 1967 ND2 ASN B 112 -18.258 4.022 -5.911 1.00 3.50 N ATOM 1968 HD22 ASN B 112 -17.426 3.401 -5.851 1.00 0.00 H ATOM 1969 HD21 ASN B 112 -18.134 5.045 -6.053 1.00 0.00 H ATOM 1970 H ASN B 112 -17.859 1.941 -8.025 1.00 0.00 H ATOM 1971 N LEU B 113 -21.359 0.423 -7.905 1.00 3.65 N ATOM 1972 CA LEU B 113 -22.450 0.487 -8.860 1.00 3.37 C ATOM 1973 C LEU B 113 -23.647 1.128 -8.166 1.00 2.95 C ATOM 1974 O LEU B 113 -24.182 0.561 -7.208 1.00 4.38 O ATOM 1975 CB LEU B 113 -22.795 -0.929 -9.316 1.00 3.71 C ATOM 1976 CG LEU B 113 -23.993 -1.048 -10.256 1.00 4.31 C ATOM 1977 CD1 LEU B 113 -23.666 -0.449 -11.622 1.00 6.09 C ATOM 1978 CD2 LEU B 113 -24.409 -2.508 -10.380 1.00 7.42 C ATOM 1979 H LEU B 113 -21.326 -0.383 -7.249 1.00 0.00 H ATOM 1980 N HIS B 114 -24.066 2.296 -8.649 1.00 3.56 N ATOM 1981 CA HIS B 114 -25.278 2.939 -8.146 1.00 4.57 C ATOM 1982 C HIS B 114 -26.489 2.337 -8.836 1.00 3.90 C ATOM 1983 O HIS B 114 -26.465 2.090 -10.045 1.00 4.16 O ATOM 1984 CB HIS B 114 -25.280 4.434 -8.481 1.00 4.07 C ATOM 1985 CG HIS B 114 -24.187 5.210 -7.830 1.00 3.55 C ATOM 1986 ND1 HIS B 114 -24.415 6.070 -6.778 1.00 4.44 N ATOM 1987 CD2 HIS B 114 -22.859 5.267 -8.086 1.00 5.87 C ATOM 1988 CE1 HIS B 114 -23.269 6.611 -6.402 1.00 4.63 C ATOM 1989 NE2 HIS B 114 -22.310 6.141 -7.183 1.00 5.09 N ATOM 1990 H HIS B 114 -23.518 2.761 -9.401 1.00 0.00 H ATOM 1991 N VAL B 115 -27.567 2.142 -8.077 1.00 4.04 N ATOM 1992 CA VAL B 115 -28.863 1.771 -8.638 1.00 4.50 C ATOM 1993 C VAL B 115 -29.888 2.755 -8.099 1.00 3.60 C ATOM 1994 O VAL B 115 -30.063 2.856 -6.880 1.00 4.53 O ATOM 1995 CB VAL B 115 -29.258 0.326 -8.286 1.00 4.16 C ATOM 1996 CG1 VAL B 115 -30.546 -0.039 -8.991 1.00 6.49 C ATOM 1997 CG2 VAL B 115 -28.145 -0.645 -8.659 1.00 5.96 C ATOM 1998 H VAL B 115 -27.482 2.258 -7.047 1.00 0.00 H ATOM 1999 N LEU B 116 -30.554 3.481 -9.000 1.00 4.49 N ATOM 2000 CA LEU B 116 -31.489 4.544 -8.643 1.00 4.60 C ATOM 2001 C LEU B 116 -32.849 4.293 -9.283 1.00 4.81 C ATOM 2002 O LEU B 116 -32.935 4.023 -10.487 1.00 5.75 O ATOM 2003 CB LEU B 116 -30.972 5.902 -9.128 1.00 6.59 C ATOM 2004 CG LEU B 116 -29.560 6.280 -8.691 1.00 5.58 C ATOM 2005 CD1 LEU B 116 -28.541 6.060 -9.809 1.00 7.27 C ATOM 2006 CD2 LEU B 116 -29.523 7.712 -8.177 1.00 9.73 C ATOM 2007 H LEU B 116 -30.399 3.279 -10.008 1.00 0.00 H ATOM 2008 N GLY B 117 -33.909 4.429 -8.494 1.00 5.28 N ATOM 2009 CA GLY B 117 -35.238 4.304 -9.046 1.00 6.73 C ATOM 2010 C GLY B 117 -36.283 4.886 -8.118 1.00 6.83 C ATOM 2011 O GLY B 117 -35.968 5.537 -7.121 1.00 7.49 O ATOM 2012 H GLY B 117 -33.782 4.625 -7.481 1.00 0.00 H ATOM 2013 N GLY B 118 -37.544 4.642 -8.468 1.00 7.29 N ATOM 2014 CA GLY B 118 -38.658 5.196 -7.725 1.00 6.63 C ATOM 2015 C GLY B 118 -39.076 6.566 -8.188 1.00 8.76 C ATOM 2016 O GLY B 118 -39.949 7.182 -7.556 1.00 9.67 O ATOM 2017 H GLY B 118 -37.734 4.040 -9.294 1.00 0.00 H ATOM 2018 N ARG B 119 -38.453 7.074 -9.246 1.00 6.92 N ATOM 2019 CA ARG B 119 -38.848 8.303 -9.912 1.00 7.28 C ATOM 2020 C ARG B 119 -38.364 8.187 -11.344 1.00 8.14 C ATOM 2021 O ARG B 119 -37.553 7.314 -11.674 1.00 7.14 O ATOM 2022 CB ARG B 119 -38.224 9.540 -9.254 1.00 7.37 C ATOM 2023 CG ARG B 119 -36.689 9.620 -9.350 1.00 7.32 C ATOM 2024 CD ARG B 119 -36.225 11.012 -8.955 1.00 8.37 C ATOM 2025 NE ARG B 119 -34.774 11.166 -8.849 1.00 7.65 N ATOM 2026 CZ ARG B 119 -33.971 11.500 -9.856 1.00 6.40 C ATOM 2027 NH1 ARG B 119 -34.455 11.673 -11.078 1.00 7.40 N ATOM 2028 NH2 ARG B 119 -32.669 11.654 -9.645 1.00 6.86 N ATOM 2029 HE ARG B 119 -34.338 11.003 -7.919 1.00 0.00 H ATOM 2030 HH12 ARG B 119 -33.818 11.934 -11.858 1.00 0.00 H ATOM 2031 HH11 ARG B 119 -35.472 11.548 -11.257 1.00 0.00 H ATOM 2032 HH22 ARG B 119 -32.042 11.915 -10.433 1.00 0.00 H ATOM 2033 HH21 ARG B 119 -32.276 11.514 -8.692 1.00 0.00 H ATOM 2034 H ARG B 119 -37.631 6.559 -9.621 1.00 0.00 H ATOM 2035 N GLN B 120 -38.867 9.067 -12.205 1.00 7.41 N ATOM 2036 CA GLN B 120 -38.324 9.158 -13.554 1.00 7.74 C ATOM 2037 C GLN B 120 -36.882 9.639 -13.482 1.00 7.26 C ATOM 2038 O GLN B 120 -36.603 10.691 -12.898 1.00 7.15 O ATOM 2039 CB GLN B 120 -39.137 10.149 -14.381 1.00 8.52 C ATOM 2040 CG GLN B 120 -38.659 10.263 -15.819 1.00 8.60 C ATOM 2041 CD GLN B 120 -38.861 8.981 -16.578 1.00 9.04 C ATOM 2042 OE1 GLN B 120 -39.996 8.539 -16.767 1.00 10.04 O ATOM 2043 NE2 GLN B 120 -37.767 8.354 -16.999 1.00 7.72 N ATOM 2044 HE22 GLN B 120 -36.829 8.765 -16.817 1.00 0.00 H ATOM 2045 HE21 GLN B 120 -37.849 7.452 -17.511 1.00 0.00 H ATOM 2046 H GLN B 120 -39.648 9.690 -11.915 1.00 0.00 H ATOM 2047 N MET B 121 -35.966 8.873 -14.068 1.00 6.09 N ATOM 2048 CA MET B 121 -34.599 9.335 -14.272 1.00 5.57 C ATOM 2049 C MET B 121 -34.524 10.075 -15.606 1.00 6.71 C ATOM 2050 O MET B 121 -35.130 9.656 -16.598 1.00 7.86 O ATOM 2051 CB MET B 121 -33.636 8.146 -14.247 1.00 5.82 C ATOM 2052 CG MET B 121 -33.749 7.284 -12.978 1.00 6.86 C ATOM 2053 SD MET B 121 -33.468 8.192 -11.440 1.00 7.74 S ATOM 2054 CE MET B 121 -31.767 8.694 -11.679 1.00 8.97 C ATOM 2055 H MET B 121 -36.232 7.920 -14.389 1.00 0.00 H ATOM 2056 N HIS B 122 -33.795 11.184 -15.621 1.00 5.69 N ATOM 2057 CA HIS B 122 -33.862 12.132 -16.720 1.00 6.54 C ATOM 2058 C HIS B 122 -32.659 11.988 -17.652 1.00 7.11 C ATOM 2059 O HIS B 122 -31.777 11.147 -17.461 1.00 6.80 O ATOM 2060 CB HIS B 122 -33.995 13.548 -16.160 1.00 8.14 C ATOM 2061 CG HIS B 122 -35.162 13.709 -15.236 1.00 9.45 C ATOM 2062 ND1 HIS B 122 -36.467 13.556 -15.654 1.00 15.57 N ATOM 2063 CD2 HIS B 122 -35.219 13.975 -13.910 1.00 14.25 C ATOM 2064 CE1 HIS B 122 -37.279 13.743 -14.628 1.00 15.25 C ATOM 2065 NE2 HIS B 122 -36.547 13.999 -13.559 1.00 19.75 N ATOM 2066 H HIS B 122 -33.157 11.380 -14.823 1.00 0.00 H ATOM 2067 N TRP B 123 -32.635 12.819 -18.688 1.00 6.08 N ATOM 2068 CA TRP B 123 -31.575 12.771 -19.688 1.00 5.48 C ATOM 2069 C TRP B 123 -31.210 14.217 -19.984 1.00 7.38 C ATOM 2070 O TRP B 123 -32.100 15.040 -20.188 1.00 8.87 O ATOM 2071 CB TRP B 123 -32.072 12.073 -20.957 1.00 6.20 C ATOM 2072 CG TRP B 123 -31.023 11.345 -21.769 1.00 5.20 C ATOM 2073 CD1 TRP B 123 -30.713 11.563 -23.080 1.00 5.45 C ATOM 2074 CD2 TRP B 123 -30.190 10.260 -21.335 1.00 5.67 C ATOM 2075 NE1 TRP B 123 -29.732 10.688 -23.490 1.00 5.69 N ATOM 2076 CE2 TRP B 123 -29.392 9.881 -22.435 1.00 5.88 C ATOM 2077 CE3 TRP B 123 -30.036 9.576 -20.122 1.00 6.75 C ATOM 2078 CZ2 TRP B 123 -28.457 8.848 -22.361 1.00 6.09 C ATOM 2079 CZ3 TRP B 123 -29.098 8.549 -20.046 1.00 4.68 C ATOM 2080 CH2 TRP B 123 -28.322 8.195 -21.162 1.00 5.55 C ATOM 2081 HE1 TRP B 123 -29.317 10.646 -24.443 1.00 0.00 H ATOM 2082 H TRP B 123 -33.393 13.523 -18.789 1.00 0.00 H ATOM 2083 N PRO B 124 -29.913 14.554 -19.990 1.00 5.73 N ATOM 2084 CA PRO B 124 -28.732 13.691 -19.836 1.00 5.92 C ATOM 2085 C PRO B 124 -28.577 13.139 -18.408 1.00 5.61 C ATOM 2086 O PRO B 124 -29.181 13.670 -17.471 1.00 5.31 O ATOM 2087 CB PRO B 124 -27.576 14.646 -20.169 1.00 6.37 C ATOM 2088 CG PRO B 124 -28.084 15.990 -19.745 1.00 7.12 C ATOM 2089 CD PRO B 124 -29.534 15.975 -20.126 1.00 7.70 C ATOM 2090 N PRO B 125 -27.783 12.084 -18.236 1.00 4.15 N ATOM 2091 CA PRO B 125 -27.573 11.496 -16.900 1.00 5.50 C ATOM 2092 C PRO B 125 -26.493 12.244 -16.127 1.00 5.62 C ATOM 2093 O PRO B 125 -25.428 11.709 -15.803 1.00 6.31 O ATOM 2094 CB PRO B 125 -27.157 10.062 -17.244 1.00 4.76 C ATOM 2095 CG PRO B 125 -26.347 10.257 -18.507 1.00 4.66 C ATOM 2096 CD PRO B 125 -27.044 11.354 -19.284 1.00 5.27 C ATOM 2097 N GLY B 126 -26.767 13.508 -15.835 1.00 5.22 N ATOM 2098 CA GLY B 126 -25.751 14.405 -15.321 1.00 7.01 C ATOM 2099 C GLY B 126 -24.961 15.051 -16.439 1.00 6.55 C ATOM 2100 O GLY B 126 -23.940 15.704 -16.177 1.00 6.74 O ATOM 2101 OXT GLY B 126 -25.329 14.931 -17.619 1.00 8.55 O ATOM 2102 H GLY B 126 -27.734 13.864 -15.978 1.00 0.00 H TER 2103 GLY B 126 HETATM 2104 O HOH 1 -12.199 -11.236 -23.908 1.00 27.75 O HETATM 2105 O HOH 2 -32.385 -6.819 -31.275 1.00 16.69 O HETATM 2106 O HOH 3 -29.634 -17.543 -8.833 1.00 31.23 O HETATM 2107 O HOH 4 -39.084 2.470 -21.950 1.00 16.08 O HETATM 2108 O HOH 5 -37.931 9.153 -26.116 1.00 27.10 O HETATM 2109 O HOH 6 -19.104 -14.259 -21.699 1.00 23.25 O HETATM 2110 O HOH 7 -21.611 -14.450 -19.821 1.00 12.05 O HETATM 2111 O HOH 8 -25.373 -14.626 -10.857 1.00 23.20 O HETATM 2112 O HOH 9 -41.392 6.242 -16.344 1.00 11.51 O HETATM 2113 O HOH 10 -10.123 8.063 -17.219 1.00 26.41 O HETATM 2114 O HOH 11 -20.225 21.949 -15.047 1.00 22.69 O HETATM 2115 O HOH 12 -38.250 -7.363 -16.190 1.00 20.37 O HETATM 2116 O HOH 13 -38.646 3.015 -10.481 1.00 7.83 O HETATM 2117 O HOH 14 -20.302 3.729 -40.637 1.00 20.12 O HETATM 2118 O HOH 15 -30.854 -13.549 -24.285 1.00 26.76 O HETATM 2119 O HOH 16 -38.401 -2.632 -15.823 1.00 18.03 O HETATM 2120 O HOH 17 -15.298 19.937 -21.777 1.00 9.40 O HETATM 2121 O HOH 18 -11.419 2.555 -32.897 1.00 24.13 O HETATM 2122 O HOH 19 -6.039 7.659 -22.250 1.00 27.83 O HETATM 2123 O HOH 20 -12.603 -12.583 -30.374 1.00 22.76 O HETATM 2124 O HOH 21 -21.376 10.498 -30.401 1.00 11.74 O HETATM 2125 O HOH 22 -23.812 -14.529 -21.795 1.00 20.65 O HETATM 2126 O HOH 23 -23.275 -1.371 -38.584 1.00 10.85 O HETATM 2127 O HOH 24 -12.837 10.965 -27.192 1.00 21.54 O HETATM 2128 O HOH 25 -10.393 3.818 -18.675 1.00 7.82 O HETATM 2129 O HOH 26 -8.736 10.452 -14.225 1.00 27.73 O HETATM 2130 O HOH 27 -25.075 4.776 -35.697 1.00 12.08 O HETATM 2131 O HOH 28 -25.468 -6.931 -43.632 1.00 25.31 O HETATM 2132 O HOH 29 -21.434 -3.694 -36.256 1.00 8.75 O HETATM 2133 O HOH 30 -21.843 -8.945 -37.886 1.00 14.29 O HETATM 2134 O HOH 31 -14.541 14.530 -26.047 1.00 7.22 O HETATM 2135 O HOH 32 -33.999 -6.809 -39.858 1.00 22.42 O HETATM 2136 O HOH 33 -30.768 -13.919 -27.234 1.00 28.04 O HETATM 2137 O HOH 34 -41.818 5.655 -10.078 1.00 19.88 O HETATM 2138 O HOH 35 -32.419 -12.508 -20.992 1.00 17.82 O HETATM 2139 O HOH 36 -18.485 -15.932 -28.634 1.00 15.55 O HETATM 2140 O HOH 37 -27.816 16.610 -12.705 1.00 16.53 O HETATM 2141 O HOH 38 -29.915 -13.783 -21.466 1.00 17.03 O HETATM 2142 O HOH 39 -20.198 -13.642 -32.202 1.00 15.24 O HETATM 2143 O HOH 40 -30.242 -13.270 -13.171 1.00 13.07 O HETATM 2144 O HOH 41 -13.882 6.874 -32.662 1.00 12.68 O HETATM 2145 O HOH 42 -21.176 -6.209 -35.148 1.00 8.07 O HETATM 2146 O HOH 43 -31.264 9.188 -30.588 1.00 16.02 O HETATM 2147 O HOH 44 -22.629 -11.521 -26.704 1.00 9.17 O HETATM 2148 O HOH 45 -17.180 12.370 -29.832 1.00 10.06 O HETATM 2149 O HOH 46 -28.746 10.086 -26.092 1.00 7.16 O HETATM 2150 O HOH 47 -22.641 5.177 -34.473 1.00 9.57 O HETATM 2151 O HOH 48 -40.687 -1.139 -20.098 1.00 16.11 O HETATM 2152 O HOH 49 -11.748 -9.157 -27.121 1.00 21.03 O HETATM 2153 O HOH 50 -10.939 13.183 -20.120 1.00 18.07 O HETATM 2154 O HOH 51 -20.272 20.059 -17.746 1.00 15.30 O HETATM 2155 O HOH 52 -14.976 17.881 -10.141 1.00 15.61 O HETATM 2156 O HOH 53 -28.085 -18.598 -16.191 1.00 17.03 O HETATM 2157 O HOH 54 -35.785 -1.758 -35.311 1.00 10.86 O HETATM 2158 O HOH 55 -32.387 -3.848 -43.605 1.00 12.55 O HETATM 2159 O HOH 56 -35.381 -8.603 -12.455 1.00 13.36 O HETATM 2160 O HOH 57 -19.800 -11.394 -35.004 1.00 18.21 O HETATM 2161 O HOH 58 -18.874 10.236 -29.048 1.00 8.26 O HETATM 2162 O HOH 59 -33.181 5.986 -28.712 1.00 13.99 O HETATM 2163 O HOH 60 -29.136 1.686 -21.267 1.00 5.59 O HETATM 2164 O HOH 61 -25.066 12.472 -34.698 1.00 22.45 O HETATM 2165 O HOH 62 -31.305 -2.481 -19.612 1.00 6.99 O HETATM 2166 O HOH 63 -15.263 -3.671 -36.465 1.00 9.17 O HETATM 2167 O HOH 64 -10.592 13.891 -23.375 1.00 15.07 O HETATM 2168 O HOH 65 -21.142 14.212 -10.740 1.00 5.89 O HETATM 2169 O HOH 66 -18.041 -2.310 -39.532 1.00 9.06 O HETATM 2170 O HOH 67 -29.267 12.730 -33.402 1.00 27.01 O HETATM 2171 O HOH 68 -11.381 -7.769 -31.375 1.00 14.59 O HETATM 2172 O HOH 69 -8.781 7.306 -30.287 1.00 25.61 O HETATM 2173 O HOH 70 -30.591 -17.008 -14.557 1.00 19.22 O HETATM 2174 O HOH 71 -28.285 -19.951 -11.718 1.00 26.34 O HETATM 2175 O HOH 72 -27.645 4.464 -37.723 1.00 13.95 O HETATM 2176 O HOH 73 -18.494 -14.258 -11.240 1.00 15.51 O HETATM 2177 O HOH 74 -17.566 4.123 -40.192 1.00 30.07 O HETATM 2178 O HOH 75 -38.396 4.031 -27.267 1.00 23.57 O HETATM 2179 O HOH 76 -20.939 -15.576 -9.518 1.00 16.38 O HETATM 2180 O HOH 77 -29.860 15.558 -27.096 1.00 27.72 O HETATM 2181 O HOH 78 -27.244 15.271 -29.043 1.00 25.62 O HETATM 2182 O HOH 79 -13.459 0.517 -35.805 1.00 16.92 O HETATM 2183 O HOH 80 -36.083 -9.771 -34.309 1.00 26.79 O HETATM 2184 O HOH 81 -15.606 4.783 -36.310 1.00 18.10 O HETATM 2185 O HOH 82 -5.664 5.262 -28.661 1.00 31.01 O HETATM 2186 O HOH 83 -31.001 -13.221 -31.441 1.00 28.79 O HETATM 2187 O HOH 84 -20.731 -15.662 -16.441 1.00 13.28 O HETATM 2188 O HOH 85 -6.527 -5.429 -23.845 1.00 36.43 O HETATM 2189 O HOH 86 -33.758 -10.947 -23.427 1.00 14.14 O HETATM 2190 O HOH 87 -20.712 -16.229 -13.688 1.00 17.42 O HETATM 2191 O HOH 88 -17.105 20.657 -17.981 1.00 12.58 O HETATM 2192 O HOH 89 -20.175 15.002 -29.208 1.00 15.65 O HETATM 2193 O HOH 90 -15.899 20.886 -12.036 1.00 19.99 O HETATM 2194 O HOH 91 -31.183 15.552 -23.780 1.00 26.97 O HETATM 2195 O HOH 92 -29.938 -1.043 -21.616 1.00 6.86 O HETATM 2196 O HOH 93 -17.208 2.103 -38.263 1.00 8.71 O HETATM 2197 O HOH 94 -12.213 -3.710 -33.155 1.00 12.22 O HETATM 2198 O HOH 95 -29.005 -12.948 -30.134 1.00 21.77 O HETATM 2199 O HOH 96 -28.694 -3.013 -45.297 1.00 22.78 O HETATM 2200 O HOH 97 -11.185 -6.994 -22.910 1.00 21.13 O HETATM 2201 O HOH 98 -40.504 -0.471 -17.491 1.00 18.48 O HETATM 2202 O HOH 99 -31.972 5.051 -34.859 1.00 22.41 O HETATM 2203 O HOH 100 -39.898 9.538 -23.125 1.00 27.60 O HETATM 2204 O HOH 101 -32.813 14.849 -11.305 1.00 22.44 O HETATM 2205 O HOH 102 -24.809 -0.441 -42.851 1.00 17.13 O HETATM 2206 O HOH 103 -21.977 -13.245 -28.649 1.00 22.55 O HETATM 2207 O HOH 104 -21.485 0.201 -39.794 1.00 12.88 O HETATM 2208 O HOH 105 -36.888 -10.683 -23.044 1.00 31.87 O HETATM 2209 O HOH 106 -21.488 -9.998 -35.316 1.00 24.52 O HETATM 2210 O HOH 107 -4.927 10.386 -22.825 1.00 23.39 O HETATM 2211 O HOH 108 -24.426 -19.329 -12.440 1.00 29.96 O HETATM 2212 O HOH 109 -25.698 17.770 -22.367 1.00 26.20 O HETATM 2213 O HOH 110 -10.429 -1.449 -26.995 1.00 30.77 O HETATM 2214 O HOH 111 -22.012 18.147 -23.515 1.00 17.39 O HETATM 2215 O HOH 112 -7.804 0.444 -20.088 1.00 17.56 O HETATM 2216 O HOH 113 -29.879 15.660 -13.832 1.00 29.56 O HETATM 2217 O HOH 114 -37.250 -8.281 -33.012 1.00 13.01 O HETATM 2218 O HOH 115 -18.709 0.351 -39.838 1.00 8.88 O HETATM 2219 O HOH 116 -13.479 -10.462 -32.935 1.00 19.60 O HETATM 2220 O HOH 117 -13.783 -2.067 -34.658 1.00 13.79 O HETATM 2221 O HOH 118 -20.529 18.088 -26.967 1.00 26.21 O HETATM 2222 O HOH 119 -14.723 10.212 -29.567 1.00 21.15 O HETATM 2223 O HOH 120 -31.606 10.803 -26.796 1.00 22.05 O HETATM 2224 O HOH 121 -24.216 6.660 -37.478 1.00 33.25 O HETATM 2225 O HOH 122 -9.072 6.144 -18.883 1.00 24.91 O HETATM 2226 O HOH 123 -39.632 3.130 -25.249 1.00 31.87 O HETATM 2227 O HOH 124 -30.206 4.595 -38.621 1.00 26.13 O HETATM 2228 O HOH 125 -34.597 12.155 -24.302 1.00 29.86 O HETATM 2229 O HOH 126 -21.581 -4.181 -44.624 1.00 23.31 O HETATM 2230 O HOH 127 -32.990 9.461 -28.159 1.00 28.92 O HETATM 2231 O HOH 128 -14.830 0.460 -38.291 1.00 13.72 O HETATM 2232 O HOH 129 -14.849 21.019 -16.370 1.00 23.55 O HETATM 2233 O HOH 130 -40.159 -5.044 -16.320 1.00 27.46 O HETATM 2234 O HOH 131 -10.046 11.790 -30.059 1.00 23.18 O HETATM 2235 O HOH 132 -20.426 -15.254 -27.075 1.00 28.90 O HETATM 2236 O HOH 133 -22.083 -0.106 -42.426 1.00 19.33 O HETATM 2237 O HOH 134 -31.093 16.836 -12.145 1.00 31.32 O HETATM 2238 O HOH 135 -22.826 -13.563 -32.380 1.00 26.33 O HETATM 2239 O HOH 136 -26.881 15.853 -31.268 1.00 27.57 O HETATM 2240 O HOH 137 -32.332 8.813 -33.218 1.00 27.46 O HETATM 2241 O HOH 138 -15.432 -2.211 -38.746 1.00 9.69 O HETATM 2242 O HOH 139 -22.705 13.053 -34.002 1.00 26.10 O HETATM 2243 O HOH 140 -41.785 -5.068 -18.578 1.00 29.76 O HETATM 2244 O HOH 141 -36.252 3.682 -31.919 1.00 28.63 O HETATM 2245 O HOH 142 -9.209 -6.528 -32.447 1.00 31.80 O HETATM 2246 O HOH 143 -19.736 20.041 -23.130 1.00 17.41 O HETATM 2247 O HOH 144 -37.959 -9.016 -11.940 1.00 27.37 O HETATM 2248 O HOH 145 -11.903 5.161 -32.458 1.00 21.69 O HETATM 2249 O HOH 146 -20.443 -2.036 -43.360 1.00 17.97 O HETATM 2250 O HOH 147 -17.192 21.515 -20.542 1.00 13.49 O HETATM 2251 O HOH 148 -21.138 2.247 -42.946 1.00 24.79 O HETATM 2252 O HOH 149 -22.029 -13.865 -25.395 1.00 23.66 O HETATM 2253 O HOH 150 -10.223 -3.506 -26.336 1.00 27.44 O HETATM 2254 O HOH 151 -19.823 21.485 -20.996 1.00 28.11 O HETATM 2255 O HOH 152 -17.626 0.590 -42.427 1.00 14.24 O HETATM 2256 O HOH 153 -35.953 -18.294 -37.803 1.00 40.79 O HETATM 2257 O HOH 154 -13.707 22.657 -18.129 1.00 25.28 O HETATM 2258 O HOH 155 -13.866 1.245 -40.826 1.00 27.16 O HETATM 2259 O HOH 156 -19.144 1.390 -44.393 1.00 30.51 O HETATM 2260 O HOH 157 -11.493 -10.467 -9.920 1.00 20.17 O HETATM 2261 O HOH 158 -13.425 17.179 -13.502 1.00 12.90 O HETATM 2262 O HOH 159 -37.909 -10.253 -6.493 1.00 31.32 O HETATM 2263 O HOH 160 -14.455 6.038 10.776 1.00 26.47 O HETATM 2264 O HOH 161 -33.968 -12.652 -14.731 1.00 30.30 O HETATM 2265 O HOH 162 -10.204 -0.648 1.723 1.00 20.84 O HETATM 2266 O HOH 163 -12.889 11.869 -8.547 1.00 22.68 O HETATM 2267 O HOH 164 -41.763 -4.652 -14.258 1.00 27.10 O HETATM 2268 O HOH 165 -14.064 -12.178 -11.978 1.00 9.68 O HETATM 2269 O HOH 166 -7.612 -1.274 0.482 1.00 27.61 O HETATM 2270 O HOH 167 -22.485 7.793 -3.027 1.00 16.25 O HETATM 2271 O HOH 168 -13.594 13.218 -19.477 1.00 7.72 O HETATM 2272 O HOH 169 -12.592 16.677 -20.027 1.00 13.89 O HETATM 2273 O HOH 170 -29.293 8.959 4.812 1.00 18.98 O HETATM 2274 O HOH 171 -15.540 -17.670 -1.191 1.00 8.07 O HETATM 2275 O HOH 172 -26.992 -14.206 -8.606 1.00 21.71 O HETATM 2276 O HOH 173 -41.124 9.586 -7.248 1.00 25.63 O HETATM 2277 O HOH 174 -14.873 3.826 -11.124 1.00 11.41 O HETATM 2278 O HOH 175 -9.984 8.592 -14.518 1.00 20.76 O HETATM 2279 O HOH 176 -8.728 -4.577 -17.897 1.00 17.84 O HETATM 2280 O HOH 177 -12.105 -4.715 11.139 1.00 11.94 O HETATM 2281 O HOH 178 -30.557 15.835 -16.622 1.00 15.29 O HETATM 2282 O HOH 179 -9.535 -1.359 10.629 1.00 27.51 O HETATM 2283 O HOH 180 -19.352 4.790 -9.078 1.00 4.30 O HETATM 2284 O HOH 181 -34.555 -5.976 -11.893 1.00 8.64 O HETATM 2285 O HOH 182 -11.103 -8.493 -20.846 1.00 26.85 O HETATM 2286 O HOH 183 -38.709 3.633 -4.533 1.00 19.15 O HETATM 2287 O HOH 184 -30.576 12.896 -0.149 1.00 18.44 O HETATM 2288 O HOH 185 -12.705 -3.897 0.615 1.00 27.35 O HETATM 2289 O HOH 186 -24.886 -14.296 -4.455 1.00 7.79 O HETATM 2290 O HOH 187 -11.980 0.793 0.151 1.00 7.82 O HETATM 2291 O HOH 188 -6.635 4.953 -14.163 1.00 21.27 O HETATM 2292 O HOH 189 -41.364 6.154 -5.453 1.00 23.61 O HETATM 2293 O HOH 190 -13.173 2.329 11.291 1.00 23.86 O HETATM 2294 O HOH 191 -21.437 -1.942 7.774 1.00 7.71 O HETATM 2295 O HOH 192 -42.258 10.024 -16.332 1.00 24.32 O HETATM 2296 O HOH 193 -35.110 3.792 -0.202 1.00 20.27 O HETATM 2297 O HOH 194 -27.405 16.144 -5.624 1.00 19.80 O HETATM 2298 O HOH 195 -27.985 12.370 3.562 1.00 15.21 O HETATM 2299 O HOH 196 -5.574 1.663 -8.045 1.00 27.28 O HETATM 2300 O HOH 197 -30.813 5.552 0.561 1.00 13.29 O HETATM 2301 O HOH 198 -14.551 13.173 -8.462 1.00 21.74 O HETATM 2302 O HOH 199 -13.401 18.943 -16.901 1.00 17.78 O HETATM 2303 O HOH 200 -18.913 2.925 14.066 1.00 18.35 O HETATM 2304 O HOH 201 -37.653 0.439 -2.483 1.00 25.12 O HETATM 2305 O HOH 202 -27.127 2.861 4.415 1.00 12.63 O HETATM 2306 O HOH 203 -25.308 -8.955 5.477 1.00 11.18 O HETATM 2307 O HOH 204 -32.535 3.822 -0.962 1.00 9.02 O HETATM 2308 O HOH 205 -32.565 -6.905 2.568 1.00 23.83 O HETATM 2309 O HOH 206 -31.386 -9.345 -0.211 1.00 21.92 O HETATM 2310 O HOH 207 -13.301 11.599 -5.365 1.00 11.97 O HETATM 2311 O HOH 208 -42.544 7.520 -12.883 1.00 21.44 O HETATM 2312 O HOH 209 -14.891 -8.953 -4.526 1.00 8.43 O HETATM 2313 O HOH 210 -38.072 12.631 -11.535 1.00 20.45 O HETATM 2314 O HOH 211 -18.134 -8.499 5.612 1.00 10.11 O HETATM 2315 O HOH 212 -21.145 10.731 -7.475 1.00 13.84 O HETATM 2316 O HOH 213 -16.111 -13.016 2.012 1.00 13.55 O HETATM 2317 O HOH 214 -5.052 -2.769 -13.701 1.00 35.24 O HETATM 2318 O HOH 215 -16.539 -10.348 4.100 1.00 10.17 O HETATM 2319 O HOH 216 -25.286 10.306 -3.729 1.00 10.87 O HETATM 2320 O HOH 217 -3.863 -13.391 -13.790 1.00 31.79 O HETATM 2321 O HOH 218 -40.502 -2.209 -16.161 1.00 24.95 O HETATM 2322 O HOH 219 -25.124 -14.721 0.116 1.00 6.20 O HETATM 2323 O HOH 220 -8.646 3.879 -3.105 1.00 17.22 O HETATM 2324 O HOH 221 -5.721 -14.148 -16.925 1.00 28.74 O HETATM 2325 O HOH 222 -34.986 -10.525 -7.007 1.00 26.94 O HETATM 2326 O HOH 223 -20.077 13.886 -8.120 1.00 6.86 O HETATM 2327 O HOH 224 -23.456 4.431 5.993 1.00 9.60 O HETATM 2328 O HOH 225 -37.194 12.725 -18.263 1.00 22.18 O HETATM 2329 O HOH 226 -32.383 -4.386 4.136 1.00 27.23 O HETATM 2330 O HOH 227 -8.044 2.399 -18.210 1.00 11.48 O HETATM 2331 O HOH 228 -20.411 6.467 -4.153 1.00 6.17 O HETATM 2332 O HOH 229 -40.422 -5.457 -8.241 1.00 23.74 O HETATM 2333 O HOH 230 -10.372 7.445 1.943 1.00 14.95 O HETATM 2334 O HOH 231 -26.160 -12.951 3.049 1.00 7.49 O HETATM 2335 O HOH 232 -37.719 -3.253 -13.412 1.00 20.70 O HETATM 2336 O HOH 233 -8.851 -6.170 -1.769 1.00 19.21 O HETATM 2337 O HOH 234 -23.242 -7.960 9.240 1.00 13.01 O HETATM 2338 O HOH 235 -40.862 10.990 -11.441 1.00 20.24 O HETATM 2339 O HOH 236 -22.418 5.303 9.065 1.00 9.45 O HETATM 2340 O HOH 237 -33.625 -2.695 2.273 1.00 15.18 O HETATM 2341 O HOH 238 -11.966 7.952 -2.005 1.00 6.35 O HETATM 2342 O HOH 239 -8.539 -11.137 -7.113 1.00 28.90 O HETATM 2343 O HOH 240 -28.126 13.839 1.042 1.00 20.87 O HETATM 2344 O HOH 241 -20.924 -0.884 12.563 1.00 20.45 O HETATM 2345 O HOH 242 -25.461 -1.590 10.126 1.00 29.35 O HETATM 2346 O HOH 243 -13.997 -13.179 -15.130 1.00 14.71 O HETATM 2347 O HOH 244 -40.595 1.195 -9.809 1.00 13.46 O HETATM 2348 O HOH 245 -21.867 10.175 -4.953 1.00 16.59 O HETATM 2349 O HOH 246 -13.197 7.432 2.321 1.00 6.45 O HETATM 2350 O HOH 247 -7.356 -0.902 -7.424 1.00 15.43 O HETATM 2351 O HOH 248 -9.697 11.919 -12.507 1.00 17.60 O HETATM 2352 O HOH 249 -10.586 -4.156 4.015 1.00 26.80 O HETATM 2353 O HOH 250 -33.667 12.081 -3.002 1.00 29.56 O HETATM 2354 O HOH 251 -24.689 13.978 -2.881 1.00 12.53 O HETATM 2355 O HOH 252 -31.529 -15.602 -7.348 1.00 31.50 O HETATM 2356 O HOH 253 -40.043 -4.090 -1.634 1.00 31.14 O HETATM 2357 O HOH 254 -40.219 0.736 -4.591 1.00 29.13 O HETATM 2358 O HOH 255 -35.242 14.134 -19.256 1.00 15.89 O HETATM 2359 O HOH 256 -28.116 -3.455 7.887 1.00 14.27 O HETATM 2360 O HOH 257 -6.435 -9.964 -15.556 1.00 21.08 O HETATM 2361 O HOH 258 -13.869 7.251 6.700 1.00 9.67 O HETATM 2362 O HOH 259 -17.079 -13.384 -9.066 1.00 11.34 O HETATM 2363 O HOH 260 -27.966 -11.023 2.136 1.00 10.86 O HETATM 2364 O HOH 261 -5.805 -7.111 -16.916 1.00 26.06 O HETATM 2365 O HOH 262 -16.841 3.511 -8.957 1.00 5.84 O HETATM 2366 O HOH 263 -34.652 8.103 -0.521 1.00 22.76 O HETATM 2367 O HOH 264 -29.553 -7.427 5.421 1.00 26.88 O HETATM 2368 O HOH 265 -24.217 3.980 3.411 1.00 10.20 O HETATM 2369 O HOH 266 -27.733 0.380 9.958 1.00 31.32 O HETATM 2370 O HOH 267 -35.724 1.147 -0.994 1.00 25.17 O HETATM 2371 O HOH 268 -35.603 11.059 -3.686 1.00 29.13 O HETATM 2372 O HOH 269 -36.857 -6.065 0.168 1.00 32.01 O HETATM 2373 O HOH 270 -25.754 18.137 -17.619 1.00 25.12 O HETATM 2374 O HOH 271 -28.405 15.668 -2.073 1.00 26.47 O HETATM 2375 O HOH 272 -35.494 12.021 -5.779 1.00 17.96 O HETATM 2376 O HOH 273 -32.556 14.409 -6.618 1.00 30.65 O HETATM 2377 O HOH 274 -34.223 -10.294 -10.670 1.00 22.52 O HETATM 2378 O HOH 275 -36.994 -4.841 -11.228 1.00 23.47 O HETATM 2379 O HOH 276 -12.892 -4.084 3.193 1.00 21.60 O HETATM 2380 O HOH 277 -23.640 -2.378 9.260 1.00 18.28 O HETATM 2381 O HOH 278 -15.842 6.745 8.620 1.00 17.92 O HETATM 2382 O HOH 279 -34.857 10.316 -1.106 1.00 30.74 O HETATM 2383 O HOH 280 -9.592 -12.257 -10.372 1.00 33.06 O HETATM 2384 O HOH 281 -18.573 -16.832 -10.540 1.00 12.89 O HETATM 2385 O HOH 282 -27.855 -8.917 3.916 1.00 16.61 O HETATM 2386 O HOH 283 -25.665 5.316 7.402 1.00 23.43 O HETATM 2387 O HOH 284 -26.948 3.201 8.984 1.00 21.64 O HETATM 2388 O HOH 285 -12.841 19.006 -9.378 1.00 31.76 O HETATM 2389 O HOH 286 -29.229 -14.883 -5.501 1.00 30.38 O HETATM 2390 O HOH 287 -42.790 -4.767 -7.892 1.00 31.91 O HETATM 2391 O HOH 288 -12.745 15.035 -7.926 1.00 24.74 O HETATM 2392 O HOH 289 -3.119 -11.221 -13.807 1.00 31.73 O HETATM 2393 O HOH 290 -33.096 6.429 1.343 1.00 31.50 O HETATM 2394 O HOH 291 -25.617 12.274 5.354 1.00 13.35 O HETATM 2395 O HOH 292 -14.265 -13.339 -9.480 1.00 14.66 O HETATM 2396 O HOH 293 -27.625 5.088 5.292 1.00 28.34 O HETATM 2397 O HOH 294 -10.666 -3.024 1.241 1.00 29.72 O HETATM 2398 O HOH 295 -16.507 -17.673 -14.522 1.00 27.43 O HETATM 2399 O HOH 296 -40.655 13.358 -15.286 1.00 30.77 O HETATM 2400 O HOH 297 -14.034 -16.405 -9.664 1.00 25.96 O HETATM 2401 O HOH 298 -6.458 4.937 -4.924 1.00 35.06 O HETATM 2402 O HOH 299 -9.556 7.829 -0.858 1.00 16.56 O HETATM 2403 O HOH 300 -8.451 -10.272 -4.466 1.00 26.73 O HETATM 2404 O HOH 301 -27.458 -13.101 -5.618 1.00 24.71 O HETATM 2405 O HOH 302 -34.047 -5.111 1.068 1.00 32.89 O HETATM 2406 O HOH 303 -32.199 -13.264 -5.595 1.00 26.58 O HETATM 2407 O HOH 304 -28.598 9.929 7.309 1.00 20.55 O HETATM 2408 O HOH 305 -33.662 -9.869 2.789 1.00 34.47 O HETATM 2409 O HOH 306 -40.956 3.074 -5.714 1.00 30.20 O HETATM 2410 O HOH 307 -20.070 5.195 13.091 1.00 14.02 O HETATM 2411 O HOH 308 -6.512 7.496 -5.658 1.00 33.04 O HETATM 2412 O HOH 309 -12.636 -11.929 -7.943 1.00 16.45 O HETATM 2413 O HOH 310 -29.467 -12.034 -4.665 1.00 26.30 O HETATM 2414 O HOH 311 -23.323 2.959 15.466 1.00 31.94 O HETATM 2415 O HOH 312 -30.097 -12.723 1.326 1.00 20.87 O HETATM 2416 C1 UNN A 313 -31.569 6.719 -23.294 1.00 0.03 C HETATM 2417 C3 UNN A 313 -32.127 7.968 -23.968 1.00 -0.02 C HETATM 2418 C7 UNN A 313 -33.574 8.241 -23.625 1.00 -0.04 C HETATM 2419 C9 UNN A 313 -34.128 8.674 -22.322 1.00 -0.02 C HETATM 2420 C10 UNN A 313 -35.582 8.821 -22.525 1.00 0.06 C HETATM 2421 N11 UNN A 313 -35.821 8.512 -23.813 1.00 -0.29 N HETATM 2422 C12 UNN A 313 -34.675 8.179 -24.475 1.00 0.02 C HETATM 2423 H19 UNN A 313 -34.628 7.902 -25.527 1.00 0.08 H HETATM 2424 H18 UNN A 313 -36.755 8.525 -24.246 1.00 0.22 H HETATM 2425 C16 UNN A 313 -36.368 9.212 -21.445 1.00 -0.04 C HETATM 2426 C15 UNN A 313 -35.756 9.451 -20.217 1.00 -0.08 C HETATM 2427 C14 UNN A 313 -34.376 9.307 -20.038 1.00 -0.08 C HETATM 2428 C13 UNN A 313 -33.544 8.909 -21.087 1.00 -0.07 C HETATM 2429 H20 UNN A 313 -32.477 8.788 -20.940 1.00 0.05 H HETATM 2430 H21 UNN A 313 -33.943 9.508 -19.065 1.00 0.05 H HETATM 2431 H22 UNN A 313 -36.367 9.758 -19.375 1.00 0.05 H HETATM 2432 H23 UNN A 313 -37.440 9.329 -21.558 1.00 0.05 H HETATM 2433 H4 UNN A 313 -32.045 7.842 -25.058 1.00 0.04 H HETATM 2434 H5 UNN A 313 -31.525 8.833 -23.652 1.00 0.04 H HETATM 2435 N1P UNN A 313 -32.231 5.481 -23.684 1.00 -0.28 N HETATM 2436 P UNN A 313 -31.254 4.042 -23.738 1.00 0.20 P HETATM 2437 O3P UNN A 313 -32.115 2.894 -24.210 1.00 -0.61 O HETATM 2438 O2P UNN A 313 -30.511 3.882 -22.451 1.00 -0.61 O HETATM 2439 O5' UNN A 313 -30.126 4.375 -24.827 1.00 -0.26 O HETATM 2440 C5' UNN A 313 -30.330 4.152 -26.215 1.00 0.11 C HETATM 2441 C4' UNN A 313 -29.341 5.032 -26.951 1.00 0.12 C HETATM 2442 C3' UNN A 313 -29.743 6.514 -26.992 1.00 0.12 C HETATM 2443 C2' UNN A 313 -29.833 6.816 -28.487 1.00 0.14 C HETATM 2444 C1' UNN A 313 -28.961 5.721 -29.071 1.00 0.20 C HETATM 2445 O4' UNN A 313 -29.296 4.581 -28.299 1.00 -0.34 O HETATM 2446 N9 UNN A 313 -29.275 5.409 -30.470 1.00 -0.19 N HETATM 2447 C4 UNN A 313 -28.354 5.245 -31.406 1.00 0.16 C HETATM 2448 C5 UNN A 313 -29.097 4.931 -32.624 1.00 0.10 C HETATM 2449 C6 UNN A 313 -28.301 4.713 -33.837 1.00 0.13 C HETATM 2450 N1 UNN A 313 -26.958 4.814 -33.734 1.00 -0.27 N HETATM 2451 C2 UNN A 313 -26.350 5.103 -32.566 1.00 0.05 C HETATM 2452 N3 UNN A 313 -27.002 5.325 -31.410 1.00 -0.27 N HETATM 2453 H3 UNN A 313 -25.267 5.160 -32.557 1.00 0.10 H HETATM 2454 N6 UNN A 313 -28.911 4.419 -35.014 1.00 -0.32 N HETATM 2455 H16 UNN A 313 -28.347 4.267 -35.862 1.00 0.18 H HETATM 2456 H17 UNN A 313 -29.938 4.348 -35.058 1.00 0.18 H HETATM 2457 N7 UNN A 313 -30.407 4.929 -32.306 1.00 -0.30 N HETATM 2458 C8 UNN A 313 -30.502 5.208 -30.983 1.00 0.11 C HETATM 2459 H6 UNN A 313 -31.433 5.261 -30.420 1.00 0.13 H HETATM 2460 H7 UNN A 313 -27.897 5.982 -28.976 1.00 0.10 H HETATM 2461 O2' UNN A 313 -29.384 8.122 -28.873 1.00 -0.38 O HETATM 2462 H15 UNN A 313 -28.472 8.227 -28.629 1.00 0.21 H HETATM 2463 H8 UNN A 313 -30.873 6.703 -28.828 1.00 0.07 H HETATM 2464 O3' UNN A 313 -28.771 7.325 -26.301 1.00 -0.39 O HETATM 2465 H14 UNN A 313 -27.923 7.225 -26.717 1.00 0.21 H HETATM 2466 H9 UNN A 313 -30.724 6.662 -26.518 1.00 0.06 H HETATM 2467 H10 UNN A 313 -28.352 4.937 -26.479 1.00 0.07 H HETATM 2468 H11 UNN A 313 -30.150 3.095 -26.459 1.00 0.07 H HETATM 2469 H12 UNN A 313 -31.359 4.423 -26.495 1.00 0.07 H HETATM 2470 H13 UNN A 313 -33.205 5.459 -23.911 1.00 0.17 H HETATM 2471 H1 UNN A 313 -31.675 6.838 -22.206 1.00 0.05 H HETATM 2472 H2 UNN A 313 -30.503 6.636 -23.552 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1058 1059 1062 1063 1064 CONECT 1062 1058 CONECT 1063 1058 CONECT 1064 1058 CONECT 2416 2417 2435 2471 2472 CONECT 2417 2416 2418 2433 2434 CONECT 2418 2417 2419 2422 CONECT 2419 2418 2420 2428 CONECT 2420 2419 2421 2425 CONECT 2421 2420 2422 2424 CONECT 2422 2418 2421 2423 CONECT 2423 2422 CONECT 2424 2421 CONECT 2425 2420 2426 2432 CONECT 2426 2425 2427 2431 CONECT 2427 2426 2428 2430 CONECT 2428 2419 2427 2429 CONECT 2429 2428 CONECT 2430 2427 CONECT 2431 2426 CONECT 2432 2425 CONECT 2433 2417 CONECT 2434 2417 CONECT 2435 2416 2436 2470 CONECT 2436 2435 2437 2438 2439 CONECT 2437 2436 CONECT 2438 2436 CONECT 2439 2436 2440 CONECT 2440 2439 2441 2468 2469 CONECT 2441 2440 2442 2445 2467 CONECT 2442 2441 2443 2464 2466 CONECT 2443 2442 2444 2461 2463 CONECT 2444 2443 2445 2446 2460 CONECT 2445 2441 2444 CONECT 2446 2444 2447 2458 CONECT 2447 2446 2448 2452 CONECT 2448 2447 2449 2457 CONECT 2449 2448 2450 2454 CONECT 2450 2449 2451 CONECT 2451 2450 2452 2453 CONECT 2452 2447 2451 CONECT 2453 2451 CONECT 2454 2449 2455 2456 CONECT 2455 2454 CONECT 2456 2454 CONECT 2457 2448 2458 CONECT 2458 2446 2457 2459 CONECT 2459 2458 CONECT 2460 2444 CONECT 2461 2443 2462 CONECT 2462 2461 CONECT 2463 2443 CONECT 2464 2442 2465 CONECT 2465 2464 CONECT 2466 2442 CONECT 2467 2441 CONECT 2468 2440 CONECT 2469 2440 CONECT 2470 2435 CONECT 2471 2416 CONECT 2472 2416 MASTER 0 0 0 0 0 0 0 0 2470 2 65 18 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 5kly
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i2e
RCSB PDB
PDBbind
129aa, >5I2E_1|Chains... *
5i2f
RCSB PDB
PDBbind
129aa, >5I2F_1|Chains... at 100%
5ipc
RCSB PDB
PDBbind
129aa, >5IPC_1|Chains... at 99%
5klz
RCSB PDB
PDBbind
129aa, >5KLZ_1|Chains... at 100%
5km0
RCSB PDB
PDBbind
129aa, >5KM0_1|Chains... at 100%
5km1
RCSB PDB
PDBbind
129aa, >5KM1_1|Chains... at 100%
5km2
RCSB PDB
PDBbind
129aa, >5KM2_1|Chains... at 100%
5km3
RCSB PDB
PDBbind
129aa, >5KM3_1|Chains... at 100%
5kma
RCSB PDB
PDBbind
129aa, >5KMA_1|Chains... at 99%
5wa8
RCSB PDB
PDBbind
129aa, >5WA8_1|Chains... at 99%
5wa9
RCSB PDB
PDBbind
129aa, >5WA9_1|Chains... at 99%
6n3y
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%
6n3v
RCSB PDB
PDBbind
129aa, >6N3V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5kly
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histidine triad nucleotide-binding protein 1
Ligand Name
6UR
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=0.061uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula
C
2
0
H
2
5
N
7
O
6
P
Molecular Weight
490.430
Exact Mass
490.160
No. of atoms
59
No. of bonds
63
Polar Surface Area
210.41
LOGP Value
-1.30 (
Computed with XLOGP3
)
0.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 5
Canonical SMILES
O[C@@H]1[C@@H](COP(NCCc2c[nH]c3c2cccc3)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C20H26N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,26,28-31,34H,5-6,8H2,(H2,21,23,24)/t14-,16-,17-,20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
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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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