Browse entries in the PDBbind-CN Database
HEADER 1FKB_COMPLEX COMPND 1FKB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU HET RAP A 241 144 ATOM 1 N GLY A 1 15.915 -2.029 8.513 1.00 11.28 N ATOM 2 CA GLY A 1 14.978 -1.665 7.474 1.00 14.35 C ATOM 3 C GLY A 1 13.558 -1.877 7.981 1.00 15.91 C ATOM 4 O GLY A 1 13.306 -1.692 9.187 1.00 16.11 O ATOM 5 HA3 GLY A 1 15.148 -2.287 6.595 1.00 0.00 H ATOM 6 HA2 GLY A 1 15.118 -0.617 7.208 1.00 0.00 H ATOM 7 HN3 GLY A 1 15.780 -3.029 8.765 1.00 0.00 H ATOM 8 HN2 GLY A 1 15.751 -1.434 9.350 1.00 0.00 H ATOM 9 HN1 GLY A 1 16.886 -1.885 8.169 1.00 0.00 H ATOM 10 N VAL A 2 12.677 -2.258 7.058 1.00 11.40 N ATOM 11 CA VAL A 2 11.288 -2.572 7.337 1.00 7.65 C ATOM 12 C VAL A 2 10.997 -3.900 6.634 1.00 18.43 C ATOM 13 O VAL A 2 11.349 -4.131 5.471 1.00 15.55 O ATOM 14 CB VAL A 2 10.348 -1.404 6.904 1.00 14.21 C ATOM 15 CG1 VAL A 2 10.467 -1.021 5.431 1.00 16.55 C ATOM 16 CG2 VAL A 2 8.887 -1.700 7.235 1.00 15.47 C ATOM 17 HA VAL A 2 11.099 -2.684 8.405 1.00 0.00 H ATOM 18 HB VAL A 2 10.690 -0.548 7.486 1.00 0.00 H ATOM 19 HG11 VAL A 2 11.489 -0.706 5.220 1.00 0.00 H ATOM 20 HG12 VAL A 2 10.216 -1.882 4.812 1.00 0.00 H ATOM 21 HG13 VAL A 2 9.781 -0.203 5.213 1.00 0.00 H ATOM 22 HG21 VAL A 2 8.573 -2.604 6.713 1.00 0.00 H ATOM 23 HG22 VAL A 2 8.781 -1.845 8.310 1.00 0.00 H ATOM 24 HG23 VAL A 2 8.267 -0.862 6.917 1.00 0.00 H ATOM 25 H VAL A 2 13.005 -2.335 6.074 1.00 0.00 H ATOM 26 N GLN A 3 10.439 -4.825 7.387 1.00 9.33 N ATOM 27 CA GLN A 3 10.028 -6.109 6.837 1.00 10.30 C ATOM 28 C GLN A 3 8.506 -6.047 6.705 1.00 10.81 C ATOM 29 O GLN A 3 7.858 -5.607 7.648 1.00 11.33 O ATOM 30 CB GLN A 3 10.455 -7.166 7.821 1.00 13.36 C ATOM 31 CG GLN A 3 10.169 -8.570 7.309 1.00 55.99 C ATOM 32 CD GLN A 3 10.506 -9.683 8.292 1.00 68.84 C ATOM 33 OE1 GLN A 3 11.212 -9.503 9.275 1.00 72.87 O ATOM 34 NE2 GLN A 3 10.044 -10.909 8.101 1.00 57.49 N ATOM 35 HA GLN A 3 10.469 -6.336 5.866 1.00 0.00 H ATOM 36 HB2 GLN A 3 11.526 -7.068 8.001 1.00 0.00 H ATOM 37 HB3 GLN A 3 9.915 -7.015 8.756 1.00 0.00 H ATOM 38 HG2 GLN A 3 9.107 -8.636 7.071 1.00 0.00 H ATOM 39 HG3 GLN A 3 10.754 -8.728 6.403 1.00 0.00 H ATOM 40 HE22 GLN A 3 9.439 -11.115 7.280 1.00 0.00 H ATOM 41 HE21 GLN A 3 10.286 -11.666 8.772 1.00 0.00 H ATOM 42 H GLN A 3 10.288 -4.634 8.398 1.00 0.00 H ATOM 43 N VAL A 4 7.878 -6.429 5.593 1.00 14.73 N ATOM 44 CA VAL A 4 6.430 -6.364 5.422 1.00 15.13 C ATOM 45 C VAL A 4 5.972 -7.817 5.319 1.00 14.25 C ATOM 46 O VAL A 4 6.386 -8.538 4.411 1.00 16.89 O ATOM 47 CB VAL A 4 6.069 -5.557 4.135 1.00 11.91 C ATOM 48 CG1 VAL A 4 4.574 -5.482 3.905 1.00 13.25 C ATOM 49 CG2 VAL A 4 6.644 -4.148 4.195 1.00 9.78 C ATOM 50 HA VAL A 4 5.938 -5.852 6.249 1.00 0.00 H ATOM 51 HB VAL A 4 6.514 -6.095 3.298 1.00 0.00 H ATOM 52 HG11 VAL A 4 4.173 -6.490 3.796 1.00 0.00 H ATOM 53 HG12 VAL A 4 4.101 -4.992 4.756 1.00 0.00 H ATOM 54 HG13 VAL A 4 4.375 -4.911 2.998 1.00 0.00 H ATOM 55 HG21 VAL A 4 6.236 -3.627 5.061 1.00 0.00 H ATOM 56 HG22 VAL A 4 7.729 -4.203 4.281 1.00 0.00 H ATOM 57 HG23 VAL A 4 6.377 -3.609 3.286 1.00 0.00 H ATOM 58 H VAL A 4 8.451 -6.793 4.805 1.00 0.00 H ATOM 59 N GLU A 5 5.174 -8.303 6.249 1.00 8.60 N ATOM 60 CA GLU A 5 4.637 -9.657 6.191 1.00 9.41 C ATOM 61 C GLU A 5 3.122 -9.577 6.038 1.00 7.91 C ATOM 62 O GLU A 5 2.492 -8.892 6.835 1.00 14.55 O ATOM 63 CB GLU A 5 4.958 -10.352 7.479 1.00 9.26 C ATOM 64 CG GLU A 5 6.429 -10.624 7.556 1.00 7.92 C ATOM 65 CD GLU A 5 6.796 -11.234 8.891 1.00 28.31 C ATOM 66 OE1 GLU A 5 7.086 -10.482 9.814 1.00 26.39 O ATOM 67 OE2 GLU A 5 6.797 -12.460 9.003 1.00 39.66 O ATOM 68 HA GLU A 5 5.069 -10.201 5.351 1.00 0.00 H ATOM 69 HB2 GLU A 5 4.662 -9.719 8.316 1.00 0.00 H ATOM 70 HB3 GLU A 5 4.412 -11.294 7.528 1.00 0.00 H ATOM 71 HG2 GLU A 5 6.707 -11.314 6.759 1.00 0.00 H ATOM 72 HG3 GLU A 5 6.972 -9.688 7.430 1.00 0.00 H ATOM 73 H GLU A 5 4.918 -7.697 7.055 1.00 0.00 H ATOM 74 N THR A 6 2.483 -10.198 5.049 1.00 11.40 N ATOM 75 CA THR A 6 1.050 -10.065 4.801 1.00 9.56 C ATOM 76 C THR A 6 0.135 -10.732 5.817 1.00 11.24 C ATOM 77 O THR A 6 0.355 -11.888 6.159 1.00 13.61 O ATOM 78 CB THR A 6 0.786 -10.568 3.404 1.00 14.22 C ATOM 79 OG1 THR A 6 1.470 -9.646 2.578 1.00 18.55 O ATOM 80 CG2 THR A 6 -0.674 -10.584 3.000 1.00 18.19 C ATOM 81 HA THR A 6 0.800 -9.010 4.909 1.00 0.00 H ATOM 82 HB THR A 6 1.111 -11.605 3.324 1.00 0.00 H ATOM 83 HG1 THR A 6 2.434 -9.655 2.804 1.00 0.00 H ATOM 84 HG23 THR A 6 -1.216 -11.291 3.628 1.00 0.00 H ATOM 85 HG21 THR A 6 -1.096 -9.587 3.126 1.00 0.00 H ATOM 86 HG22 THR A 6 -0.757 -10.886 1.956 1.00 0.00 H ATOM 87 H THR A 6 3.035 -10.812 4.417 1.00 0.00 H ATOM 88 N ILE A 7 -0.850 -10.012 6.359 1.00 10.07 N ATOM 89 CA ILE A 7 -1.896 -10.635 7.149 1.00 9.55 C ATOM 90 C ILE A 7 -3.054 -10.999 6.213 1.00 14.31 C ATOM 91 O ILE A 7 -3.600 -12.093 6.327 1.00 15.11 O ATOM 92 CB ILE A 7 -2.288 -9.703 8.324 1.00 15.34 C ATOM 93 CG1 ILE A 7 -1.088 -9.498 9.248 1.00 8.63 C ATOM 94 CG2 ILE A 7 -3.508 -10.227 9.092 1.00 4.62 C ATOM 95 CD1 ILE A 7 -1.211 -8.308 10.228 1.00 11.85 C ATOM 96 HA ILE A 7 -1.560 -11.562 7.613 1.00 0.00 H ATOM 97 HB ILE A 7 -2.578 -8.737 7.909 1.00 0.00 H ATOM 98 HG12 ILE A 7 -0.954 -10.407 9.835 1.00 0.00 H ATOM 99 HG13 ILE A 7 -0.207 -9.335 8.627 1.00 0.00 H ATOM 100 HD11 ILE A 7 -1.331 -7.384 9.662 1.00 0.00 H ATOM 101 HD12 ILE A 7 -2.078 -8.457 10.871 1.00 0.00 H ATOM 102 HD13 ILE A 7 -0.310 -8.247 10.839 1.00 0.00 H ATOM 103 HG21 ILE A 7 -4.359 -10.298 8.415 1.00 0.00 H ATOM 104 HG22 ILE A 7 -3.283 -11.213 9.499 1.00 0.00 H ATOM 105 HG23 ILE A 7 -3.745 -9.542 9.906 1.00 0.00 H ATOM 106 H ILE A 7 -0.868 -8.983 6.212 1.00 0.00 H ATOM 107 N SER A 8 -3.465 -10.137 5.280 1.00 16.77 N ATOM 108 CA SER A 8 -4.521 -10.403 4.303 1.00 22.81 C ATOM 109 C SER A 8 -4.096 -9.684 3.023 1.00 16.94 C ATOM 110 O SER A 8 -3.584 -8.557 3.080 1.00 11.53 O ATOM 111 CB SER A 8 -5.868 -9.853 4.740 1.00 16.46 C ATOM 112 OG SER A 8 -6.033 -9.995 6.140 1.00 42.67 O ATOM 113 HA SER A 8 -4.641 -11.479 4.178 1.00 0.00 H ATOM 114 HB2 SER A 8 -6.661 -10.398 4.228 1.00 0.00 H ATOM 115 HB3 SER A 8 -5.927 -8.797 4.477 1.00 0.00 H ATOM 116 HG SER A 8 -6.915 -9.632 6.406 1.00 0.00 H ATOM 117 H SER A 8 -3.000 -9.207 5.245 1.00 0.00 H ATOM 118 N PRO A 9 -4.201 -10.303 1.861 1.00 14.85 N ATOM 119 CA PRO A 9 -3.773 -9.717 0.615 1.00 16.28 C ATOM 120 C PRO A 9 -4.625 -8.548 0.137 1.00 15.80 C ATOM 121 O PRO A 9 -5.822 -8.466 0.374 1.00 16.79 O ATOM 122 CB PRO A 9 -3.781 -10.908 -0.331 1.00 17.69 C ATOM 123 CG PRO A 9 -4.908 -11.757 0.188 1.00 20.98 C ATOM 124 CD PRO A 9 -4.668 -11.683 1.687 1.00 13.76 C ATOM 125 HA PRO A 9 -2.797 -9.239 0.696 1.00 0.00 H ATOM 126 HD3 PRO A 9 -5.588 -11.862 2.244 1.00 0.00 H ATOM 127 HD2 PRO A 9 -3.909 -12.400 2.001 1.00 0.00 H ATOM 128 HG3 PRO A 9 -4.838 -12.781 -0.178 1.00 0.00 H ATOM 129 HG2 PRO A 9 -5.879 -11.341 -0.082 1.00 0.00 H ATOM 130 HB2 PRO A 9 -3.971 -10.591 -1.356 1.00 0.00 H ATOM 131 HB3 PRO A 9 -2.835 -11.447 -0.288 1.00 0.00 H ATOM 132 N GLY A 10 -3.971 -7.584 -0.490 1.00 11.05 N ATOM 133 CA GLY A 10 -4.670 -6.518 -1.160 1.00 12.34 C ATOM 134 C GLY A 10 -4.996 -6.956 -2.571 1.00 16.73 C ATOM 135 O GLY A 10 -4.919 -8.134 -2.922 1.00 24.91 O ATOM 136 HA3 GLY A 10 -4.040 -5.629 -1.189 1.00 0.00 H ATOM 137 HA2 GLY A 10 -5.592 -6.292 -0.625 1.00 0.00 H ATOM 138 H GLY A 10 -2.931 -7.596 -0.499 1.00 0.00 H ATOM 139 N ASP A 11 -5.303 -6.001 -3.430 1.00 14.36 N ATOM 140 CA ASP A 11 -5.633 -6.357 -4.802 1.00 28.85 C ATOM 141 C ASP A 11 -4.434 -6.674 -5.692 1.00 27.10 C ATOM 142 O ASP A 11 -4.615 -7.013 -6.860 1.00 20.65 O ATOM 143 CB ASP A 11 -6.515 -5.278 -5.442 1.00 23.16 C ATOM 144 CG ASP A 11 -5.875 -3.943 -5.797 1.00 17.74 C ATOM 145 OD1 ASP A 11 -4.693 -3.728 -5.552 1.00 15.46 O ATOM 146 OD2 ASP A 11 -6.586 -3.101 -6.329 1.00 19.20 O ATOM 147 HA ASP A 11 -6.186 -7.294 -4.729 1.00 0.00 H ATOM 148 HB2 ASP A 11 -6.922 -5.697 -6.363 1.00 0.00 H ATOM 149 HB3 ASP A 11 -7.329 -5.072 -4.747 1.00 0.00 H ATOM 150 H ASP A 11 -5.309 -5.005 -3.129 1.00 0.00 H ATOM 151 N GLY A 12 -3.211 -6.420 -5.217 1.00 15.02 N ATOM 152 CA GLY A 12 -1.994 -6.703 -5.971 1.00 19.67 C ATOM 153 C GLY A 12 -1.805 -5.836 -7.210 1.00 16.55 C ATOM 154 O GLY A 12 -0.980 -6.150 -8.056 1.00 15.65 O ATOM 155 HA3 GLY A 12 -2.022 -7.746 -6.286 1.00 0.00 H ATOM 156 HA2 GLY A 12 -1.140 -6.547 -5.312 1.00 0.00 H ATOM 157 H GLY A 12 -3.123 -6.002 -4.269 1.00 0.00 H ATOM 158 N ARG A 13 -2.527 -4.729 -7.349 1.00 11.39 N ATOM 159 CA ARG A 13 -2.502 -3.910 -8.541 1.00 11.95 C ATOM 160 C ARG A 13 -2.408 -2.438 -8.220 1.00 10.82 C ATOM 161 O ARG A 13 -1.685 -1.701 -8.893 1.00 19.47 O ATOM 162 CB ARG A 13 -3.768 -4.076 -9.383 1.00 25.46 C ATOM 163 CG ARG A 13 -3.946 -5.441 -10.001 1.00 42.88 C ATOM 164 CD ARG A 13 -4.558 -5.218 -11.364 1.00 67.90 C ATOM 165 NE ARG A 13 -4.520 -6.435 -12.166 1.00 80.80 N ATOM 166 CZ ARG A 13 -3.611 -6.646 -13.138 1.00 94.75 C ATOM 167 NH1 ARG A 13 -2.600 -5.798 -13.398 1.00 98.27 N ATOM 168 NH2 ARG A 13 -3.707 -7.756 -13.879 1.00 90.34 N ATOM 169 HA ARG A 13 -1.622 -4.248 -9.088 1.00 0.00 H ATOM 170 HB2 ARG A 13 -4.628 -3.879 -8.744 1.00 0.00 H ATOM 171 HB3 ARG A 13 -3.739 -3.341 -10.187 1.00 0.00 H ATOM 172 HG2 ARG A 13 -2.982 -5.940 -10.098 1.00 0.00 H ATOM 173 HG3 ARG A 13 -4.608 -6.050 -9.386 1.00 0.00 H ATOM 174 HD2 ARG A 13 -4.002 -4.435 -11.880 1.00 0.00 H ATOM 175 HD3 ARG A 13 -5.595 -4.905 -11.241 1.00 0.00 H ATOM 176 HE ARG A 13 -5.227 -7.174 -11.979 1.00 0.00 H ATOM 177 HH12 ARG A 13 -1.926 -6.011 -14.161 1.00 0.00 H ATOM 178 HH11 ARG A 13 -2.492 -4.930 -12.836 1.00 0.00 H ATOM 179 HH22 ARG A 13 -3.016 -7.938 -14.634 1.00 0.00 H ATOM 180 HH21 ARG A 13 -4.473 -8.436 -13.700 1.00 0.00 H ATOM 181 H ARG A 13 -3.140 -4.437 -6.562 1.00 0.00 H ATOM 182 N THR A 14 -3.160 -1.969 -7.223 1.00 16.37 N ATOM 183 CA THR A 14 -3.242 -0.567 -6.846 1.00 20.68 C ATOM 184 C THR A 14 -2.342 -0.232 -5.671 1.00 14.00 C ATOM 185 O THR A 14 -2.668 -0.503 -4.509 1.00 12.73 O ATOM 186 CB THR A 14 -4.728 -0.226 -6.500 1.00 17.19 C ATOM 187 OG1 THR A 14 -5.539 -0.798 -7.518 1.00 20.12 O ATOM 188 CG2 THR A 14 -4.956 1.250 -6.453 1.00 14.89 C ATOM 189 HA THR A 14 -2.898 0.034 -7.688 1.00 0.00 H ATOM 190 HB THR A 14 -4.975 -0.625 -5.516 1.00 0.00 H ATOM 191 HG1 THR A 14 -5.401 -1.778 -7.536 1.00 0.00 H ATOM 192 HG23 THR A 14 -4.334 1.688 -5.672 1.00 0.00 H ATOM 193 HG21 THR A 14 -4.694 1.688 -7.416 1.00 0.00 H ATOM 194 HG22 THR A 14 -6.006 1.447 -6.236 1.00 0.00 H ATOM 195 H THR A 14 -3.725 -2.652 -6.679 1.00 0.00 H ATOM 196 N PHE A 15 -1.234 0.407 -5.994 1.00 12.81 N ATOM 197 CA PHE A 15 -0.211 0.731 -5.024 1.00 7.88 C ATOM 198 C PHE A 15 -0.157 2.235 -4.870 1.00 18.25 C ATOM 199 O PHE A 15 -0.427 2.887 -5.885 1.00 22.03 O ATOM 200 CB PHE A 15 1.156 0.231 -5.529 1.00 11.94 C ATOM 201 CG PHE A 15 1.295 -1.284 -5.530 1.00 11.45 C ATOM 202 CD1 PHE A 15 0.868 -2.038 -6.622 1.00 9.87 C ATOM 203 CD2 PHE A 15 1.850 -1.917 -4.432 1.00 11.12 C ATOM 204 CE1 PHE A 15 0.975 -3.411 -6.611 1.00 7.22 C ATOM 205 CE2 PHE A 15 1.925 -3.302 -4.421 1.00 10.85 C ATOM 206 CZ PHE A 15 1.482 -4.046 -5.501 1.00 10.98 C ATOM 207 HA PHE A 15 -0.441 0.257 -4.070 1.00 0.00 H ATOM 208 HB2 PHE A 15 1.298 0.590 -6.548 1.00 0.00 H ATOM 209 HB3 PHE A 15 1.933 0.647 -4.887 1.00 0.00 H ATOM 210 HD2 PHE A 15 2.223 -1.336 -3.588 1.00 0.00 H ATOM 211 HE2 PHE A 15 2.338 -3.811 -3.550 1.00 0.00 H ATOM 212 HZ PHE A 15 1.535 -5.134 -5.472 1.00 0.00 H ATOM 213 HE1 PHE A 15 0.659 -3.992 -7.478 1.00 0.00 H ATOM 214 HD1 PHE A 15 0.446 -1.536 -7.493 1.00 0.00 H ATOM 215 H PHE A 15 -1.090 0.689 -6.985 1.00 0.00 H ATOM 216 N PRO A 16 0.175 2.836 -3.714 1.00 13.24 N ATOM 217 CA PRO A 16 0.267 4.278 -3.551 1.00 16.94 C ATOM 218 C PRO A 16 1.341 4.869 -4.454 1.00 27.68 C ATOM 219 O PRO A 16 2.370 4.252 -4.765 1.00 18.36 O ATOM 220 CB PRO A 16 0.646 4.454 -2.094 1.00 11.36 C ATOM 221 CG PRO A 16 0.354 3.156 -1.405 1.00 13.31 C ATOM 222 CD PRO A 16 0.627 2.156 -2.501 1.00 17.07 C ATOM 223 HA PRO A 16 -0.661 4.785 -3.817 1.00 0.00 H ATOM 224 HD3 PRO A 16 1.690 1.924 -2.559 1.00 0.00 H ATOM 225 HD2 PRO A 16 0.064 1.237 -2.338 1.00 0.00 H ATOM 226 HG3 PRO A 16 -0.683 3.107 -1.072 1.00 0.00 H ATOM 227 HG2 PRO A 16 1.015 3.001 -0.553 1.00 0.00 H ATOM 228 HB2 PRO A 16 1.706 4.693 -2.009 1.00 0.00 H ATOM 229 HB3 PRO A 16 0.057 5.256 -1.648 1.00 0.00 H ATOM 230 N LYS A 17 1.062 6.076 -4.919 1.00 17.83 N ATOM 231 CA LYS A 17 2.014 6.903 -5.619 1.00 24.33 C ATOM 232 C LYS A 17 2.442 7.991 -4.619 1.00 27.42 C ATOM 233 O LYS A 17 1.749 8.343 -3.654 1.00 25.81 O ATOM 234 CB LYS A 17 1.294 7.482 -6.842 1.00 20.44 C ATOM 235 CG LYS A 17 2.171 8.205 -7.839 1.00 73.40 C ATOM 236 CD LYS A 17 1.368 8.988 -8.878 1.00 83.60 C ATOM 237 CE LYS A 17 2.349 9.860 -9.675 1.00 79.68 C ATOM 238 NZ LYS A 17 1.746 10.467 -10.851 1.00 88.66 N ATOM 239 HA LYS A 17 2.899 6.372 -5.970 1.00 0.00 H ATOM 240 HB2 LYS A 17 0.803 6.659 -7.362 1.00 0.00 H ATOM 241 HB3 LYS A 17 0.542 8.186 -6.486 1.00 0.00 H ATOM 242 HG2 LYS A 17 2.813 8.901 -7.298 1.00 0.00 H ATOM 243 HG3 LYS A 17 2.788 7.471 -8.357 1.00 0.00 H ATOM 244 HD2 LYS A 17 0.857 8.297 -9.549 1.00 0.00 H ATOM 245 HD3 LYS A 17 0.632 9.619 -8.379 1.00 0.00 H ATOM 246 HE2 LYS A 17 3.185 9.238 -9.995 1.00 0.00 H ATOM 247 HE3 LYS A 17 2.716 10.654 -9.024 1.00 0.00 H ATOM 248 HZ1 LYS A 17 1.400 9.720 -11.486 1.00 0.00 H ATOM 249 HZ2 LYS A 17 0.952 11.071 -10.559 1.00 0.00 H ATOM 250 HZ3 LYS A 17 2.457 11.042 -11.346 1.00 0.00 H ATOM 251 H LYS A 17 0.103 6.449 -4.771 1.00 0.00 H ATOM 252 N ARG A 18 3.659 8.501 -4.815 1.00 23.19 N ATOM 253 CA ARG A 18 4.168 9.657 -4.102 1.00 25.30 C ATOM 254 C ARG A 18 3.181 10.797 -4.283 1.00 20.31 C ATOM 255 O ARG A 18 2.682 11.050 -5.389 1.00 26.79 O ATOM 256 CB ARG A 18 5.484 10.053 -4.758 1.00 36.42 C ATOM 257 CG ARG A 18 6.671 10.236 -3.828 1.00 61.98 C ATOM 258 CD ARG A 18 7.174 8.920 -3.251 1.00 70.36 C ATOM 259 NE ARG A 18 7.663 7.999 -4.274 1.00 91.69 N ATOM 260 CZ ARG A 18 7.783 6.682 -4.033 1.00 99.06 C ATOM 261 NH1 ARG A 18 7.391 6.136 -2.874 1.00 87.08 N ATOM 262 NH2 ARG A 18 8.287 5.879 -4.974 1.00 91.74 N ATOM 263 HA ARG A 18 4.307 9.440 -3.043 1.00 0.00 H ATOM 264 HB2 ARG A 18 5.743 9.277 -5.479 1.00 0.00 H ATOM 265 HB3 ARG A 18 5.324 10.995 -5.282 1.00 0.00 H ATOM 266 HG2 ARG A 18 7.482 10.705 -4.385 1.00 0.00 H ATOM 267 HG3 ARG A 18 6.373 10.886 -3.006 1.00 0.00 H ATOM 268 HD2 ARG A 18 6.356 8.440 -2.714 1.00 0.00 H ATOM 269 HD3 ARG A 18 7.987 9.133 -2.557 1.00 0.00 H ATOM 270 HE ARG A 18 7.924 8.371 -5.210 1.00 0.00 H ATOM 271 HH12 ARG A 18 7.497 5.113 -2.719 1.00 0.00 H ATOM 272 HH11 ARG A 18 6.980 6.735 -2.130 1.00 0.00 H ATOM 273 HH22 ARG A 18 8.382 4.860 -4.792 1.00 0.00 H ATOM 274 HH21 ARG A 18 8.585 6.273 -5.889 1.00 0.00 H ATOM 275 H ARG A 18 4.276 8.045 -5.517 1.00 0.00 H ATOM 276 N GLY A 19 2.864 11.439 -3.175 1.00 28.49 N ATOM 277 CA GLY A 19 1.926 12.537 -3.206 1.00 22.19 C ATOM 278 C GLY A 19 0.489 12.085 -2.986 1.00 24.43 C ATOM 279 O GLY A 19 -0.358 12.934 -2.706 1.00 27.40 O ATOM 280 HA3 GLY A 19 1.993 13.027 -4.177 1.00 0.00 H ATOM 281 HA2 GLY A 19 2.193 13.247 -2.423 1.00 0.00 H ATOM 282 H GLY A 19 3.293 11.152 -2.272 1.00 0.00 H ATOM 283 N GLN A 20 0.150 10.799 -3.069 1.00 20.21 N ATOM 284 CA GLN A 20 -1.208 10.390 -2.756 1.00 22.26 C ATOM 285 C GLN A 20 -1.385 10.310 -1.259 1.00 19.19 C ATOM 286 O GLN A 20 -0.426 10.014 -0.529 1.00 24.35 O ATOM 287 CB GLN A 20 -1.546 9.019 -3.285 1.00 16.69 C ATOM 288 CG GLN A 20 -1.718 9.040 -4.765 1.00 32.77 C ATOM 289 CD GLN A 20 -2.345 7.753 -5.235 1.00 32.00 C ATOM 290 OE1 GLN A 20 -1.695 6.716 -5.369 1.00 30.66 O ATOM 291 NE2 GLN A 20 -3.645 7.793 -5.467 1.00 35.54 N ATOM 292 HA GLN A 20 -1.856 11.133 -3.220 1.00 0.00 H ATOM 293 HB2 GLN A 20 -0.740 8.331 -3.030 1.00 0.00 H ATOM 294 HB3 GLN A 20 -2.473 8.678 -2.824 1.00 0.00 H ATOM 295 HG2 GLN A 20 -2.361 9.876 -5.041 1.00 0.00 H ATOM 296 HG3 GLN A 20 -0.744 9.160 -5.239 1.00 0.00 H ATOM 297 HE22 GLN A 20 -4.168 8.684 -5.345 1.00 0.00 H ATOM 298 HE21 GLN A 20 -4.146 6.934 -5.771 1.00 0.00 H ATOM 299 H GLN A 20 0.855 10.091 -3.357 1.00 0.00 H ATOM 300 N THR A 21 -2.626 10.531 -0.844 1.00 12.61 N ATOM 301 CA THR A 21 -3.061 10.316 0.523 1.00 14.09 C ATOM 302 C THR A 21 -3.416 8.850 0.708 1.00 12.40 C ATOM 303 O THR A 21 -4.296 8.296 0.039 1.00 17.06 O ATOM 304 CB THR A 21 -4.299 11.210 0.824 1.00 17.25 C ATOM 305 OG1 THR A 21 -3.788 12.529 0.655 1.00 23.17 O ATOM 306 CG2 THR A 21 -4.896 11.052 2.231 1.00 11.48 C ATOM 307 HA THR A 21 -2.260 10.582 1.212 1.00 0.00 H ATOM 308 HB THR A 21 -5.128 10.941 0.170 1.00 0.00 H ATOM 309 HG1 THR A 21 -4.509 13.185 0.827 1.00 0.00 H ATOM 310 HG23 THR A 21 -5.283 10.040 2.348 1.00 0.00 H ATOM 311 HG21 THR A 21 -4.121 11.235 2.976 1.00 0.00 H ATOM 312 HG22 THR A 21 -5.705 11.770 2.364 1.00 0.00 H ATOM 313 H THR A 21 -3.323 10.876 -1.535 1.00 0.00 H ATOM 314 N CYS A 22 -2.727 8.204 1.629 1.00 13.20 N ATOM 315 CA CYS A 22 -3.072 6.841 2.021 1.00 13.95 C ATOM 316 C CYS A 22 -3.990 6.926 3.232 1.00 13.08 C ATOM 317 O CYS A 22 -3.723 7.718 4.170 1.00 15.66 O ATOM 318 CB CYS A 22 -1.800 6.115 2.412 1.00 10.31 C ATOM 319 SG CYS A 22 -0.631 6.186 1.042 1.00 17.72 S ATOM 320 HA CYS A 22 -3.563 6.310 1.205 1.00 0.00 H ATOM 321 HB2 CYS A 22 -2.030 5.075 2.642 1.00 0.00 H ATOM 322 HB3 CYS A 22 -1.363 6.592 3.289 1.00 0.00 H ATOM 323 HG CYS A 22 0.529 5.526 1.394 1.00 0.00 H ATOM 324 H CYS A 22 -1.921 8.676 2.086 1.00 0.00 H ATOM 325 N VAL A 23 -5.066 6.127 3.208 1.00 11.74 N ATOM 326 CA VAL A 23 -6.009 6.048 4.324 1.00 8.67 C ATOM 327 C VAL A 23 -5.829 4.665 4.944 1.00 9.34 C ATOM 328 O VAL A 23 -6.007 3.652 4.263 1.00 13.93 O ATOM 329 CB VAL A 23 -7.470 6.229 3.853 1.00 12.47 C ATOM 330 CG1 VAL A 23 -8.395 6.418 5.051 1.00 14.36 C ATOM 331 CG2 VAL A 23 -7.576 7.428 2.952 1.00 13.59 C ATOM 332 HA VAL A 23 -5.811 6.845 5.041 1.00 0.00 H ATOM 333 HB VAL A 23 -7.768 5.334 3.307 1.00 0.00 H ATOM 334 HG11 VAL A 23 -8.335 5.542 5.696 1.00 0.00 H ATOM 335 HG12 VAL A 23 -8.089 7.303 5.609 1.00 0.00 H ATOM 336 HG13 VAL A 23 -9.420 6.544 4.701 1.00 0.00 H ATOM 337 HG21 VAL A 23 -7.261 8.319 3.496 1.00 0.00 H ATOM 338 HG22 VAL A 23 -6.934 7.286 2.083 1.00 0.00 H ATOM 339 HG23 VAL A 23 -8.609 7.546 2.626 1.00 0.00 H ATOM 340 H VAL A 23 -5.237 5.542 2.365 1.00 0.00 H ATOM 341 N VAL A 24 -5.428 4.593 6.217 1.00 9.59 N ATOM 342 CA VAL A 24 -5.040 3.333 6.843 1.00 9.14 C ATOM 343 C VAL A 24 -5.674 3.153 8.211 1.00 10.95 C ATOM 344 O VAL A 24 -6.064 4.134 8.852 1.00 11.27 O ATOM 345 CB VAL A 24 -3.513 3.204 7.057 1.00 8.47 C ATOM 346 CG1 VAL A 24 -2.770 3.323 5.732 1.00 9.52 C ATOM 347 CG2 VAL A 24 -2.957 4.172 8.102 1.00 8.56 C ATOM 348 HA VAL A 24 -5.388 2.574 6.143 1.00 0.00 H ATOM 349 HB VAL A 24 -3.343 2.207 7.464 1.00 0.00 H ATOM 350 HG11 VAL A 24 -3.100 2.531 5.060 1.00 0.00 H ATOM 351 HG12 VAL A 24 -2.982 4.294 5.284 1.00 0.00 H ATOM 352 HG13 VAL A 24 -1.698 3.229 5.908 1.00 0.00 H ATOM 353 HG21 VAL A 24 -3.157 5.197 7.789 1.00 0.00 H ATOM 354 HG22 VAL A 24 -3.438 3.984 9.062 1.00 0.00 H ATOM 355 HG23 VAL A 24 -1.881 4.023 8.197 1.00 0.00 H ATOM 356 H VAL A 24 -5.391 5.466 6.781 1.00 0.00 H ATOM 357 N HIS A 25 -5.791 1.917 8.686 1.00 9.36 N ATOM 358 CA HIS A 25 -5.944 1.680 10.114 1.00 9.60 C ATOM 359 C HIS A 25 -4.667 1.066 10.631 1.00 5.10 C ATOM 360 O HIS A 25 -4.039 0.296 9.902 1.00 9.82 O ATOM 361 CB HIS A 25 -7.097 0.749 10.449 1.00 10.47 C ATOM 362 CG HIS A 25 -8.341 1.527 10.841 1.00 16.45 C ATOM 363 ND1 HIS A 25 -8.305 2.502 11.741 1.00 14.62 N ATOM 364 CD2 HIS A 25 -9.594 1.265 10.371 1.00 17.08 C ATOM 365 CE1 HIS A 25 -9.570 2.856 11.861 1.00 20.93 C ATOM 366 NE2 HIS A 25 -10.318 2.113 11.060 1.00 20.18 N ATOM 367 HA HIS A 25 -6.160 2.640 10.582 1.00 0.00 H ATOM 368 HB2 HIS A 25 -7.322 0.135 9.577 1.00 0.00 H ATOM 369 HB3 HIS A 25 -6.804 0.106 11.279 1.00 0.00 H ATOM 370 HD2 HIS A 25 -9.910 0.541 9.620 1.00 0.00 H ATOM 371 HE1 HIS A 25 -9.943 3.641 12.519 1.00 0.00 H ATOM 372 H HIS A 25 -5.773 1.110 8.030 1.00 0.00 H ATOM 373 N TYR A 26 -4.255 1.400 11.855 1.00 8.15 N ATOM 374 CA TYR A 26 -3.055 0.828 12.426 1.00 5.33 C ATOM 375 C TYR A 26 -3.187 0.576 13.922 1.00 10.06 C ATOM 376 O TYR A 26 -4.009 1.188 14.609 1.00 9.71 O ATOM 377 CB TYR A 26 -1.812 1.698 12.127 1.00 6.71 C ATOM 378 CG TYR A 26 -1.729 2.985 12.947 1.00 6.72 C ATOM 379 CD1 TYR A 26 -2.330 4.116 12.436 1.00 14.55 C ATOM 380 CD2 TYR A 26 -1.089 3.009 14.183 1.00 5.79 C ATOM 381 CE1 TYR A 26 -2.307 5.281 13.168 1.00 8.62 C ATOM 382 CE2 TYR A 26 -1.064 4.170 14.924 1.00 13.96 C ATOM 383 CZ TYR A 26 -1.688 5.298 14.401 1.00 13.12 C ATOM 384 OH TYR A 26 -1.706 6.470 15.111 1.00 11.19 O ATOM 385 HA TYR A 26 -2.918 -0.140 11.944 1.00 0.00 H ATOM 386 HB3 TYR A 26 -1.830 1.967 11.071 1.00 0.00 H ATOM 387 HB2 TYR A 26 -0.922 1.104 12.334 1.00 0.00 H ATOM 388 HD2 TYR A 26 -0.607 2.109 14.565 1.00 0.00 H ATOM 389 HE2 TYR A 26 -0.568 4.204 15.894 1.00 0.00 H ATOM 390 HE1 TYR A 26 -2.775 6.184 12.776 1.00 0.00 H ATOM 391 HD1 TYR A 26 -2.818 4.087 11.462 1.00 0.00 H ATOM 392 HH TYR A 26 -2.166 6.324 15.975 1.00 0.00 H ATOM 393 H TYR A 26 -4.807 2.085 12.410 1.00 0.00 H ATOM 394 N THR A 27 -2.375 -0.377 14.389 1.00 12.99 N ATOM 395 CA THR A 27 -2.069 -0.647 15.794 1.00 7.71 C ATOM 396 C THR A 27 -0.546 -0.688 15.842 1.00 11.95 C ATOM 397 O THR A 27 0.081 -1.324 14.988 1.00 11.60 O ATOM 398 CB THR A 27 -2.668 -2.003 16.259 1.00 11.34 C ATOM 399 OG1 THR A 27 -4.065 -1.808 16.133 1.00 14.19 O ATOM 400 CG2 THR A 27 -2.234 -2.460 17.644 1.00 11.50 C ATOM 401 HA THR A 27 -2.495 0.106 16.457 1.00 0.00 H ATOM 402 HB THR A 27 -2.300 -2.830 15.651 1.00 0.00 H ATOM 403 HG1 THR A 27 -4.285 -1.602 15.190 1.00 0.00 H ATOM 404 HG23 THR A 27 -1.152 -2.587 17.661 1.00 0.00 H ATOM 405 HG21 THR A 27 -2.524 -1.710 18.380 1.00 0.00 H ATOM 406 HG22 THR A 27 -2.716 -3.409 17.880 1.00 0.00 H ATOM 407 H THR A 27 -1.915 -0.987 13.684 1.00 0.00 H ATOM 408 N GLY A 28 0.060 0.004 16.796 1.00 8.64 N ATOM 409 CA GLY A 28 1.493 -0.004 16.981 1.00 9.01 C ATOM 410 C GLY A 28 1.850 -0.583 18.345 1.00 15.91 C ATOM 411 O GLY A 28 1.187 -0.318 19.344 1.00 10.99 O ATOM 412 HA3 GLY A 28 1.870 1.017 16.914 1.00 0.00 H ATOM 413 HA2 GLY A 28 1.953 -0.611 16.201 1.00 0.00 H ATOM 414 H GLY A 28 -0.521 0.578 17.440 1.00 0.00 H ATOM 415 N MET A 29 2.929 -1.348 18.403 1.00 12.93 N ATOM 416 CA MET A 29 3.462 -1.861 19.655 1.00 11.46 C ATOM 417 C MET A 29 4.979 -1.943 19.563 1.00 8.02 C ATOM 418 O MET A 29 5.574 -1.915 18.473 1.00 12.78 O ATOM 419 CB MET A 29 2.849 -3.235 20.000 1.00 12.38 C ATOM 420 CG MET A 29 3.291 -4.355 19.114 1.00 17.40 C ATOM 421 SD MET A 29 2.503 -5.953 19.399 1.00 21.98 S ATOM 422 CE MET A 29 3.979 -6.652 20.063 1.00 33.26 C ATOM 423 HA MET A 29 3.193 -1.178 20.461 1.00 0.00 H ATOM 424 HB2 MET A 29 3.125 -3.483 21.025 1.00 0.00 H ATOM 425 HB3 MET A 29 1.765 -3.152 19.927 1.00 0.00 H ATOM 426 HG2 MET A 29 4.365 -4.484 19.251 1.00 0.00 H ATOM 427 HG3 MET A 29 3.090 -4.064 18.083 1.00 0.00 H ATOM 428 HE1 MET A 29 4.768 -6.613 19.312 1.00 0.00 H ATOM 429 HE2 MET A 29 4.285 -6.085 20.942 1.00 0.00 H ATOM 430 HE3 MET A 29 3.794 -7.689 20.344 1.00 0.00 H ATOM 431 H MET A 29 3.415 -1.592 17.517 1.00 0.00 H ATOM 432 N LEU A 30 5.617 -1.935 20.729 1.00 16.97 N ATOM 433 CA LEU A 30 7.060 -2.152 20.818 1.00 14.92 C ATOM 434 C LEU A 30 7.310 -3.646 20.595 1.00 20.11 C ATOM 435 O LEU A 30 6.464 -4.433 21.034 1.00 15.50 O ATOM 436 CB LEU A 30 7.517 -1.726 22.205 1.00 16.10 C ATOM 437 CG LEU A 30 7.312 -0.272 22.669 1.00 20.40 C ATOM 438 CD1 LEU A 30 7.744 -0.157 24.122 1.00 36.95 C ATOM 439 CD2 LEU A 30 8.157 0.663 21.839 1.00 22.00 C ATOM 440 HA LEU A 30 7.611 -1.576 20.075 1.00 0.00 H ATOM 441 HB2 LEU A 30 6.993 -2.362 22.919 1.00 0.00 H ATOM 442 HB3 LEU A 30 8.587 -1.926 22.260 1.00 0.00 H ATOM 443 HG LEU A 30 6.261 -0.004 22.557 1.00 0.00 H ATOM 444 HD21 LEU A 30 9.208 0.397 21.951 1.00 0.00 H ATOM 445 HD22 LEU A 30 7.869 0.578 20.791 1.00 0.00 H ATOM 446 HD23 LEU A 30 8.002 1.688 22.178 1.00 0.00 H ATOM 447 HD11 LEU A 30 7.142 -0.829 24.733 1.00 0.00 H ATOM 448 HD12 LEU A 30 8.796 -0.429 24.210 1.00 0.00 H ATOM 449 HD13 LEU A 30 7.603 0.869 24.461 1.00 0.00 H ATOM 450 H LEU A 30 5.075 -1.770 21.601 1.00 0.00 H ATOM 451 N GLU A 31 8.384 -4.066 19.904 1.00 19.84 N ATOM 452 CA GLU A 31 8.657 -5.481 19.648 1.00 30.77 C ATOM 453 C GLU A 31 8.701 -6.234 20.964 1.00 23.77 C ATOM 454 O GLU A 31 9.466 -5.871 21.849 1.00 40.64 O ATOM 455 CB GLU A 31 9.986 -5.716 18.950 1.00 21.80 C ATOM 456 CG GLU A 31 10.127 -7.196 18.569 1.00 32.10 C ATOM 457 CD GLU A 31 11.094 -7.512 17.428 1.00 69.47 C ATOM 458 OE1 GLU A 31 12.309 -7.462 17.595 1.00 72.56 O ATOM 459 OE2 GLU A 31 10.619 -7.758 16.323 1.00 61.02 O ATOM 460 HA GLU A 31 7.857 -5.833 18.997 1.00 0.00 H ATOM 461 HB2 GLU A 31 10.033 -5.105 18.048 1.00 0.00 H ATOM 462 HB3 GLU A 31 10.800 -5.437 19.619 1.00 0.00 H ATOM 463 HG2 GLU A 31 10.468 -7.736 19.453 1.00 0.00 H ATOM 464 HG3 GLU A 31 9.141 -7.560 18.280 1.00 0.00 H ATOM 465 H GLU A 31 9.049 -3.356 19.536 1.00 0.00 H ATOM 466 N ASP A 32 7.800 -7.216 21.077 1.00 31.32 N ATOM 467 CA ASP A 32 7.557 -7.960 22.312 1.00 55.76 C ATOM 468 C ASP A 32 7.350 -7.114 23.565 1.00 36.62 C ATOM 469 O ASP A 32 7.855 -7.359 24.666 1.00 49.81 O ATOM 470 CB ASP A 32 8.596 -9.076 22.500 1.00 57.01 C ATOM 471 CG ASP A 32 8.544 -10.107 21.374 1.00 64.95 C ATOM 472 OD1 ASP A 32 7.451 -10.455 20.913 1.00 71.74 O ATOM 473 OD2 ASP A 32 9.608 -10.558 20.949 1.00 71.59 O ATOM 474 HA ASP A 32 6.581 -8.425 22.176 1.00 0.00 H ATOM 475 HB2 ASP A 32 9.590 -8.630 22.523 1.00 0.00 H ATOM 476 HB3 ASP A 32 8.403 -9.580 23.447 1.00 0.00 H ATOM 477 H ASP A 32 7.239 -7.465 20.237 1.00 0.00 H ATOM 478 N GLY A 33 6.522 -6.101 23.343 1.00 48.70 N ATOM 479 CA GLY A 33 6.247 -5.113 24.351 1.00 34.41 C ATOM 480 C GLY A 33 4.833 -4.565 24.207 1.00 34.23 C ATOM 481 O GLY A 33 3.914 -5.167 23.633 1.00 27.91 O ATOM 482 HA3 GLY A 33 6.959 -4.294 24.251 1.00 0.00 H ATOM 483 HA2 GLY A 33 6.355 -5.568 25.336 1.00 0.00 H ATOM 484 H GLY A 33 6.060 -6.019 22.415 1.00 0.00 H ATOM 485 N LYS A 34 4.738 -3.348 24.740 1.00 30.73 N ATOM 486 CA LYS A 34 3.482 -2.662 24.973 1.00 29.07 C ATOM 487 C LYS A 34 2.884 -2.167 23.656 1.00 15.38 C ATOM 488 O LYS A 34 3.623 -1.666 22.797 1.00 17.31 O ATOM 489 CB LYS A 34 3.847 -1.499 25.893 1.00 28.79 C ATOM 490 CG LYS A 34 2.778 -0.999 26.841 1.00 59.76 C ATOM 491 CD LYS A 34 3.514 -0.163 27.871 1.00 72.83 C ATOM 492 CE LYS A 34 2.560 0.475 28.874 1.00 77.19 C ATOM 493 NZ LYS A 34 3.291 1.313 29.816 1.00 83.47 N ATOM 494 HA LYS A 34 2.726 -3.310 25.417 1.00 0.00 H ATOM 495 HB2 LYS A 34 4.698 -1.814 26.496 1.00 0.00 H ATOM 496 HB3 LYS A 34 4.141 -0.661 25.261 1.00 0.00 H ATOM 497 HG2 LYS A 34 2.048 -0.391 26.307 1.00 0.00 H ATOM 498 HG3 LYS A 34 2.271 -1.836 27.320 1.00 0.00 H ATOM 499 HD2 LYS A 34 4.215 -0.802 28.408 1.00 0.00 H ATOM 500 HD3 LYS A 34 4.064 0.625 27.357 1.00 0.00 H ATOM 501 HE2 LYS A 34 2.039 -0.310 29.422 1.00 0.00 H ATOM 502 HE3 LYS A 34 1.834 1.087 28.339 1.00 0.00 H ATOM 503 HZ1 LYS A 34 3.983 0.732 30.331 1.00 0.00 H ATOM 504 HZ2 LYS A 34 3.787 2.065 29.296 1.00 0.00 H ATOM 505 HZ3 LYS A 34 2.623 1.738 30.490 1.00 0.00 H ATOM 506 H LYS A 34 5.618 -2.860 25.005 1.00 0.00 H ATOM 507 N LYS A 35 1.577 -2.352 23.450 1.00 19.66 N ATOM 508 CA LYS A 35 0.845 -1.563 22.462 1.00 18.14 C ATOM 509 C LYS A 35 0.808 -0.117 22.936 1.00 23.43 C ATOM 510 O LYS A 35 0.490 0.167 24.089 1.00 34.44 O ATOM 511 CB LYS A 35 -0.549 -2.100 22.290 1.00 14.74 C ATOM 512 CG LYS A 35 -1.477 -1.178 21.503 1.00 41.82 C ATOM 513 CD LYS A 35 -2.919 -1.567 21.823 1.00 73.09 C ATOM 514 CE LYS A 35 -3.964 -0.642 21.227 1.00 53.04 C ATOM 515 NZ LYS A 35 -4.072 0.542 22.051 1.00 53.35 N ATOM 516 HA LYS A 35 1.344 -1.622 21.495 1.00 0.00 H ATOM 517 HB2 LYS A 35 -0.487 -3.053 21.765 1.00 0.00 H ATOM 518 HB3 LYS A 35 -0.980 -2.258 23.279 1.00 0.00 H ATOM 519 HG2 LYS A 35 -1.301 -0.142 21.793 1.00 0.00 H ATOM 520 HG3 LYS A 35 -1.292 -1.292 20.435 1.00 0.00 H ATOM 521 HD2 LYS A 35 -3.094 -2.572 21.440 1.00 0.00 H ATOM 522 HD3 LYS A 35 -3.040 -1.566 22.906 1.00 0.00 H ATOM 523 HE2 LYS A 35 -4.927 -1.152 21.192 1.00 0.00 H ATOM 524 HE3 LYS A 35 -3.668 -0.359 20.217 1.00 0.00 H ATOM 525 HZ1 LYS A 35 -4.354 0.268 23.014 1.00 0.00 H ATOM 526 HZ2 LYS A 35 -3.152 1.026 22.082 1.00 0.00 H ATOM 527 HZ3 LYS A 35 -4.787 1.180 21.647 1.00 0.00 H ATOM 528 H LYS A 35 1.071 -3.072 24.004 1.00 0.00 H ATOM 529 N PHE A 36 1.185 0.793 22.049 1.00 20.64 N ATOM 530 CA PHE A 36 1.237 2.187 22.414 1.00 13.73 C ATOM 531 C PHE A 36 0.196 2.995 21.645 1.00 20.97 C ATOM 532 O PHE A 36 -0.093 4.119 22.052 1.00 19.29 O ATOM 533 CB PHE A 36 2.670 2.766 22.244 1.00 11.07 C ATOM 534 CG PHE A 36 3.260 2.688 20.848 1.00 14.52 C ATOM 535 CD1 PHE A 36 2.861 3.563 19.847 1.00 14.79 C ATOM 536 CD2 PHE A 36 4.183 1.694 20.578 1.00 15.57 C ATOM 537 CE1 PHE A 36 3.365 3.401 18.567 1.00 9.39 C ATOM 538 CE2 PHE A 36 4.688 1.555 19.302 1.00 12.97 C ATOM 539 CZ PHE A 36 4.269 2.393 18.294 1.00 9.22 C ATOM 540 HA PHE A 36 0.989 2.266 23.472 1.00 0.00 H ATOM 541 HB2 PHE A 36 2.642 3.816 22.536 1.00 0.00 H ATOM 542 HB3 PHE A 36 3.332 2.221 22.917 1.00 0.00 H ATOM 543 HD2 PHE A 36 4.510 1.022 21.371 1.00 0.00 H ATOM 544 HE2 PHE A 36 5.422 0.778 19.091 1.00 0.00 H ATOM 545 HZ PHE A 36 4.650 2.261 17.281 1.00 0.00 H ATOM 546 HE1 PHE A 36 3.046 4.073 17.770 1.00 0.00 H ATOM 547 HD1 PHE A 36 2.159 4.368 20.066 1.00 0.00 H ATOM 548 H PHE A 36 1.444 0.500 21.085 1.00 0.00 H ATOM 549 N ASP A 37 -0.377 2.524 20.520 1.00 16.37 N ATOM 550 CA ASP A 37 -1.368 3.313 19.782 1.00 22.26 C ATOM 551 C ASP A 37 -2.206 2.481 18.816 1.00 19.09 C ATOM 552 O ASP A 37 -1.748 1.434 18.362 1.00 11.13 O ATOM 553 CB ASP A 37 -0.679 4.456 19.026 1.00 10.58 C ATOM 554 CG ASP A 37 -1.605 5.543 18.500 1.00 13.87 C ATOM 555 OD1 ASP A 37 -2.731 5.671 18.959 1.00 20.82 O ATOM 556 OD2 ASP A 37 -1.200 6.279 17.616 1.00 16.84 O ATOM 557 HA ASP A 37 -2.055 3.717 20.525 1.00 0.00 H ATOM 558 HB2 ASP A 37 0.038 4.923 19.702 1.00 0.00 H ATOM 559 HB3 ASP A 37 -0.148 4.026 18.177 1.00 0.00 H ATOM 560 H ASP A 37 -0.111 1.582 20.168 1.00 0.00 H ATOM 561 N SER A 38 -3.446 2.869 18.520 1.00 12.66 N ATOM 562 CA SER A 38 -4.246 2.209 17.530 1.00 17.76 C ATOM 563 C SER A 38 -5.268 3.214 17.063 1.00 19.03 C ATOM 564 O SER A 38 -5.996 3.775 17.879 1.00 23.31 O ATOM 565 CB SER A 38 -5.006 1.063 18.146 1.00 15.16 C ATOM 566 OG SER A 38 -5.843 0.424 17.203 1.00 19.65 O ATOM 567 HA SER A 38 -3.611 1.836 16.727 1.00 0.00 H ATOM 568 HB2 SER A 38 -5.620 1.444 18.962 1.00 0.00 H ATOM 569 HB3 SER A 38 -4.294 0.336 18.537 1.00 0.00 H ATOM 570 HG SER A 38 -6.325 -0.321 17.642 1.00 0.00 H ATOM 571 H SER A 38 -3.849 3.683 19.027 1.00 0.00 H ATOM 572 N SER A 39 -5.378 3.398 15.757 1.00 12.37 N ATOM 573 CA SER A 39 -6.440 4.219 15.226 1.00 14.57 C ATOM 574 C SER A 39 -7.785 3.510 15.317 1.00 15.72 C ATOM 575 O SER A 39 -8.837 4.139 15.252 1.00 19.07 O ATOM 576 CB SER A 39 -6.101 4.576 13.793 1.00 10.13 C ATOM 577 OG SER A 39 -5.997 3.425 12.980 1.00 13.17 O ATOM 578 HA SER A 39 -6.527 5.130 15.817 1.00 0.00 H ATOM 579 HB2 SER A 39 -5.150 5.108 13.776 1.00 0.00 H ATOM 580 HB3 SER A 39 -6.884 5.221 13.394 1.00 0.00 H ATOM 581 HG SER A 39 -6.860 2.939 12.986 1.00 0.00 H ATOM 582 H SER A 39 -4.697 2.950 15.111 1.00 0.00 H ATOM 583 N ARG A 40 -7.792 2.183 15.454 1.00 18.89 N ATOM 584 CA ARG A 40 -9.025 1.414 15.499 1.00 15.31 C ATOM 585 C ARG A 40 -9.842 1.769 16.728 1.00 31.13 C ATOM 586 O ARG A 40 -11.041 1.982 16.606 1.00 36.87 O ATOM 587 CB ARG A 40 -8.735 -0.088 15.440 1.00 30.45 C ATOM 588 CG ARG A 40 -8.214 -0.516 14.075 1.00 26.49 C ATOM 589 CD ARG A 40 -7.845 -2.005 14.000 1.00 36.88 C ATOM 590 NE ARG A 40 -7.282 -2.329 12.691 1.00 30.75 N ATOM 591 CZ ARG A 40 -8.049 -2.663 11.642 1.00 50.14 C ATOM 592 NH1 ARG A 40 -9.381 -2.694 11.718 1.00 35.76 N ATOM 593 NH2 ARG A 40 -7.484 -2.936 10.466 1.00 25.34 N ATOM 594 HA ARG A 40 -9.617 1.673 14.621 1.00 0.00 H ATOM 595 HB2 ARG A 40 -7.987 -0.332 16.195 1.00 0.00 H ATOM 596 HB3 ARG A 40 -9.655 -0.633 15.652 1.00 0.00 H ATOM 597 HG2 ARG A 40 -8.985 -0.313 13.332 1.00 0.00 H ATOM 598 HG3 ARG A 40 -7.326 0.072 13.844 1.00 0.00 H ATOM 599 HD2 ARG A 40 -8.740 -2.605 14.164 1.00 0.00 H ATOM 600 HD3 ARG A 40 -7.110 -2.232 14.773 1.00 0.00 H ATOM 601 HE ARG A 40 -6.250 -2.300 12.568 1.00 0.00 H ATOM 602 HH12 ARG A 40 -9.943 -2.958 10.884 1.00 0.00 H ATOM 603 HH11 ARG A 40 -9.857 -2.454 12.611 1.00 0.00 H ATOM 604 HH22 ARG A 40 -8.077 -3.195 9.652 1.00 0.00 H ATOM 605 HH21 ARG A 40 -6.450 -2.890 10.363 1.00 0.00 H ATOM 606 H ARG A 40 -6.884 1.681 15.531 1.00 0.00 H ATOM 607 N ASP A 41 -9.168 1.932 17.876 1.00 32.90 N ATOM 608 CA ASP A 41 -9.753 2.382 19.150 1.00 42.46 C ATOM 609 C ASP A 41 -10.553 3.670 18.998 1.00 49.35 C ATOM 610 O ASP A 41 -11.604 3.909 19.597 1.00 52.42 O ATOM 611 CB ASP A 41 -8.668 2.761 20.201 1.00 58.24 C ATOM 612 CG ASP A 41 -7.759 1.709 20.846 1.00 77.12 C ATOM 613 OD1 ASP A 41 -8.072 0.513 20.824 1.00 72.34 O ATOM 614 OD2 ASP A 41 -6.727 2.113 21.395 1.00 77.19 O ATOM 615 HA ASP A 41 -10.367 1.537 19.463 1.00 0.00 H ATOM 616 HB2 ASP A 41 -8.007 3.477 19.713 1.00 0.00 H ATOM 617 HB3 ASP A 41 -9.194 3.253 21.019 1.00 0.00 H ATOM 618 H ASP A 41 -8.149 1.724 17.865 1.00 0.00 H ATOM 619 N ARG A 42 -9.936 4.531 18.200 1.00 55.02 N ATOM 620 CA ARG A 42 -10.429 5.864 17.980 1.00 31.32 C ATOM 621 C ARG A 42 -11.542 5.911 16.952 1.00 32.97 C ATOM 622 O ARG A 42 -12.118 6.975 16.702 1.00 39.40 O ATOM 623 CB ARG A 42 -9.284 6.726 17.500 1.00 33.76 C ATOM 624 CG ARG A 42 -8.390 7.201 18.609 1.00 43.44 C ATOM 625 CD ARG A 42 -7.599 8.365 18.026 1.00 55.11 C ATOM 626 NE ARG A 42 -6.641 7.928 17.021 1.00 68.77 N ATOM 627 CZ ARG A 42 -5.501 7.312 17.363 1.00 34.61 C ATOM 628 NH1 ARG A 42 -5.250 6.978 18.633 1.00 29.77 N ATOM 629 NH2 ARG A 42 -4.604 7.027 16.419 1.00 50.73 N ATOM 630 HA ARG A 42 -10.838 6.228 18.922 1.00 0.00 H ATOM 631 HB2 ARG A 42 -8.685 6.146 16.797 1.00 0.00 H ATOM 632 HB3 ARG A 42 -9.697 7.597 16.991 1.00 0.00 H ATOM 633 HG2 ARG A 42 -8.983 7.532 19.461 1.00 0.00 H ATOM 634 HG3 ARG A 42 -7.717 6.403 18.924 1.00 0.00 H ATOM 635 HD2 ARG A 42 -7.060 8.863 18.832 1.00 0.00 H ATOM 636 HD3 ARG A 42 -8.294 9.068 17.567 1.00 0.00 H ATOM 637 HE ARG A 42 -6.846 8.098 16.016 1.00 0.00 H ATOM 638 HH12 ARG A 42 -4.359 6.500 18.879 1.00 0.00 H ATOM 639 HH11 ARG A 42 -5.945 7.196 19.375 1.00 0.00 H ATOM 640 HH22 ARG A 42 -3.716 6.549 16.673 1.00 0.00 H ATOM 641 HH21 ARG A 42 -4.792 7.282 15.429 1.00 0.00 H ATOM 642 H ARG A 42 -9.065 4.232 17.716 1.00 0.00 H ATOM 643 N ASN A 43 -11.797 4.777 16.288 1.00 23.56 N ATOM 644 CA ASN A 43 -12.825 4.649 15.268 1.00 42.03 C ATOM 645 C ASN A 43 -12.577 5.608 14.099 1.00 70.45 C ATOM 646 O ASN A 43 -13.453 5.786 13.246 1.00 92.53 O ATOM 647 CB ASN A 43 -14.251 4.842 15.863 1.00 61.12 C ATOM 648 CG ASN A 43 -14.624 3.954 17.056 1.00 61.70 C ATOM 649 OD1 ASN A 43 -14.630 2.729 16.997 1.00 55.55 O ATOM 650 ND2 ASN A 43 -14.967 4.509 18.211 1.00 33.11 N ATOM 651 HA ASN A 43 -12.768 3.632 14.879 1.00 0.00 H ATOM 652 HB2 ASN A 43 -14.338 5.880 16.183 1.00 0.00 H ATOM 653 HB3 ASN A 43 -14.970 4.647 15.068 1.00 0.00 H ATOM 654 HD22 ASN A 43 -14.976 5.544 18.308 1.00 0.00 H ATOM 655 HD21 ASN A 43 -15.227 3.909 19.020 1.00 0.00 H ATOM 656 H ASN A 43 -11.226 3.938 16.515 1.00 0.00 H ATOM 657 N LYS A 44 -11.384 6.218 13.984 1.00 58.24 N ATOM 658 CA LYS A 44 -11.083 7.162 12.914 1.00 52.71 C ATOM 659 C LYS A 44 -9.813 6.678 12.190 1.00 19.74 C ATOM 660 O LYS A 44 -8.837 6.310 12.860 1.00 30.95 O ATOM 661 CB LYS A 44 -10.906 8.591 13.467 1.00 56.69 C ATOM 662 CG LYS A 44 -10.823 9.607 12.323 1.00 79.88 C ATOM 663 CD LYS A 44 -10.478 11.054 12.671 1.00 81.56 C ATOM 664 CE LYS A 44 -10.280 11.723 11.308 1.00 84.21 C ATOM 665 NZ LYS A 44 -9.964 13.136 11.408 1.00 86.18 N ATOM 666 HA LYS A 44 -11.914 7.202 12.209 1.00 0.00 H ATOM 667 HB2 LYS A 44 -11.756 8.837 14.103 1.00 0.00 H ATOM 668 HB3 LYS A 44 -9.989 8.637 14.054 1.00 0.00 H ATOM 669 HG2 LYS A 44 -10.063 9.251 11.628 1.00 0.00 H ATOM 670 HG3 LYS A 44 -11.793 9.616 11.826 1.00 0.00 H ATOM 671 HD2 LYS A 44 -11.293 11.526 13.220 1.00 0.00 H ATOM 672 HD3 LYS A 44 -9.565 11.104 13.264 1.00 0.00 H ATOM 673 HE2 LYS A 44 -11.198 11.612 10.730 1.00 0.00 H ATOM 674 HE3 LYS A 44 -9.463 11.220 10.790 1.00 0.00 H ATOM 675 HZ1 LYS A 44 -10.740 13.630 11.892 1.00 0.00 H ATOM 676 HZ2 LYS A 44 -9.084 13.256 11.949 1.00 0.00 H ATOM 677 HZ3 LYS A 44 -9.842 13.531 10.454 1.00 0.00 H ATOM 678 H LYS A 44 -10.646 6.008 14.686 1.00 0.00 H ATOM 679 N PRO A 45 -9.793 6.558 10.845 1.00 32.57 N ATOM 680 CA PRO A 45 -8.622 6.152 10.091 1.00 16.22 C ATOM 681 C PRO A 45 -7.668 7.325 10.053 1.00 14.54 C ATOM 682 O PRO A 45 -8.069 8.500 10.083 1.00 16.32 O ATOM 683 CB PRO A 45 -9.166 5.844 8.692 1.00 14.02 C ATOM 684 CG PRO A 45 -10.632 5.615 8.923 1.00 31.07 C ATOM 685 CD PRO A 45 -10.924 6.706 9.937 1.00 32.99 C ATOM 686 HA PRO A 45 -8.090 5.297 10.509 1.00 0.00 H ATOM 687 HD3 PRO A 45 -10.937 7.692 9.472 1.00 0.00 H ATOM 688 HD2 PRO A 45 -11.872 6.534 10.447 1.00 0.00 H ATOM 689 HG3 PRO A 45 -10.826 4.623 9.331 1.00 0.00 H ATOM 690 HG2 PRO A 45 -11.210 5.749 8.009 1.00 0.00 H ATOM 691 HB2 PRO A 45 -9.005 6.685 8.018 1.00 0.00 H ATOM 692 HB3 PRO A 45 -8.693 4.953 8.278 1.00 0.00 H ATOM 693 N PHE A 46 -6.401 6.936 9.931 1.00 10.29 N ATOM 694 CA PHE A 46 -5.294 7.853 9.877 1.00 9.03 C ATOM 695 C PHE A 46 -5.006 8.087 8.408 1.00 8.52 C ATOM 696 O PHE A 46 -5.061 7.159 7.594 1.00 11.40 O ATOM 697 CB PHE A 46 -4.078 7.243 10.593 1.00 8.19 C ATOM 698 CG PHE A 46 -2.762 8.005 10.471 1.00 9.99 C ATOM 699 CD1 PHE A 46 -2.512 9.093 11.283 1.00 20.12 C ATOM 700 CD2 PHE A 46 -1.783 7.575 9.584 1.00 13.29 C ATOM 701 CE1 PHE A 46 -1.286 9.739 11.208 1.00 21.39 C ATOM 702 CE2 PHE A 46 -0.562 8.229 9.529 1.00 10.10 C ATOM 703 CZ PHE A 46 -0.317 9.312 10.328 1.00 10.55 C ATOM 704 HA PHE A 46 -5.520 8.795 10.376 1.00 0.00 H ATOM 705 HB2 PHE A 46 -4.321 7.169 11.653 1.00 0.00 H ATOM 706 HB3 PHE A 46 -3.921 6.244 10.187 1.00 0.00 H ATOM 707 HD2 PHE A 46 -1.975 6.723 8.931 1.00 0.00 H ATOM 708 HE2 PHE A 46 0.209 7.877 8.844 1.00 0.00 H ATOM 709 HZ PHE A 46 0.638 9.833 10.268 1.00 0.00 H ATOM 710 HE1 PHE A 46 -1.088 10.595 11.853 1.00 0.00 H ATOM 711 HD1 PHE A 46 -3.274 9.443 11.980 1.00 0.00 H ATOM 712 H PHE A 46 -6.201 5.917 9.872 1.00 0.00 H ATOM 713 N LYS A 47 -4.686 9.329 8.045 1.00 9.33 N ATOM 714 CA LYS A 47 -4.357 9.639 6.671 1.00 7.21 C ATOM 715 C LYS A 47 -3.020 10.347 6.698 1.00 12.96 C ATOM 716 O LYS A 47 -2.716 11.128 7.616 1.00 14.92 O ATOM 717 CB LYS A 47 -5.375 10.584 6.066 1.00 12.42 C ATOM 718 CG LYS A 47 -6.777 10.063 6.134 1.00 15.45 C ATOM 719 CD LYS A 47 -7.658 10.992 5.357 1.00 22.52 C ATOM 720 CE LYS A 47 -9.069 10.523 5.624 1.00 20.02 C ATOM 721 NZ LYS A 47 -9.974 11.333 4.838 1.00 31.31 N ATOM 722 HA LYS A 47 -4.341 8.724 6.078 1.00 0.00 H ATOM 723 HB2 LYS A 47 -5.331 11.531 6.603 1.00 0.00 H ATOM 724 HB3 LYS A 47 -5.117 10.748 5.020 1.00 0.00 H ATOM 725 HG2 LYS A 47 -6.821 9.063 5.701 1.00 0.00 H ATOM 726 HG3 LYS A 47 -7.106 10.023 7.172 1.00 0.00 H ATOM 727 HD2 LYS A 47 -7.526 12.019 5.699 1.00 0.00 H ATOM 728 HD3 LYS A 47 -7.431 10.933 4.293 1.00 0.00 H ATOM 729 HE2 LYS A 47 -9.300 10.634 6.683 1.00 0.00 H ATOM 730 HE3 LYS A 47 -9.170 9.476 5.339 1.00 0.00 H ATOM 731 HZ1 LYS A 47 -9.872 12.331 5.113 1.00 0.00 H ATOM 732 HZ2 LYS A 47 -9.747 11.225 3.829 1.00 0.00 H ATOM 733 HZ3 LYS A 47 -10.952 11.024 5.009 1.00 0.00 H ATOM 734 H LYS A 47 -4.673 10.085 8.759 1.00 0.00 H ATOM 735 N PHE A 48 -2.199 10.029 5.710 1.00 18.97 N ATOM 736 CA PHE A 48 -0.949 10.741 5.518 1.00 24.29 C ATOM 737 C PHE A 48 -0.628 10.760 4.031 1.00 15.17 C ATOM 738 O PHE A 48 -1.079 9.910 3.248 1.00 14.27 O ATOM 739 CB PHE A 48 0.201 10.117 6.312 1.00 8.79 C ATOM 740 CG PHE A 48 0.690 8.803 5.717 1.00 8.83 C ATOM 741 CD1 PHE A 48 -0.012 7.636 5.941 1.00 12.25 C ATOM 742 CD2 PHE A 48 1.872 8.797 4.981 1.00 15.63 C ATOM 743 CE1 PHE A 48 0.494 6.452 5.434 1.00 16.62 C ATOM 744 CE2 PHE A 48 2.356 7.621 4.465 1.00 15.50 C ATOM 745 CZ PHE A 48 1.666 6.440 4.694 1.00 14.07 C ATOM 746 HA PHE A 48 -1.065 11.758 5.893 1.00 0.00 H ATOM 747 HB2 PHE A 48 1.033 10.821 6.331 1.00 0.00 H ATOM 748 HB3 PHE A 48 -0.140 9.932 7.331 1.00 0.00 H ATOM 749 HD2 PHE A 48 2.414 9.728 4.814 1.00 0.00 H ATOM 750 HE2 PHE A 48 3.276 7.615 3.880 1.00 0.00 H ATOM 751 HZ PHE A 48 2.046 5.501 4.291 1.00 0.00 H ATOM 752 HE1 PHE A 48 -0.036 5.517 5.619 1.00 0.00 H ATOM 753 HD1 PHE A 48 -0.945 7.647 6.505 1.00 0.00 H ATOM 754 H PHE A 48 -2.453 9.257 5.061 1.00 0.00 H ATOM 755 N MET A 49 0.207 11.707 3.639 1.00 11.11 N ATOM 756 CA MET A 49 0.577 11.826 2.242 1.00 13.52 C ATOM 757 C MET A 49 1.934 11.179 2.050 1.00 17.48 C ATOM 758 O MET A 49 2.930 11.506 2.721 1.00 14.22 O ATOM 759 CB MET A 49 0.619 13.297 1.884 1.00 15.86 C ATOM 760 CG MET A 49 0.328 13.504 0.426 1.00 52.57 C ATOM 761 SD MET A 49 0.381 15.258 0.020 1.00 50.59 S ATOM 762 CE MET A 49 -1.045 15.719 0.957 1.00 35.23 C ATOM 763 HA MET A 49 -0.144 11.327 1.594 1.00 0.00 H ATOM 764 HB2 MET A 49 -0.126 13.830 2.476 1.00 0.00 H ATOM 765 HB3 MET A 49 1.610 13.691 2.110 1.00 0.00 H ATOM 766 HG2 MET A 49 -0.663 13.112 0.198 1.00 0.00 H ATOM 767 HG3 MET A 49 1.073 12.975 -0.168 1.00 0.00 H ATOM 768 HE1 MET A 49 -1.914 15.176 0.585 1.00 0.00 H ATOM 769 HE2 MET A 49 -0.883 15.474 2.007 1.00 0.00 H ATOM 770 HE3 MET A 49 -1.214 16.791 0.855 1.00 0.00 H ATOM 771 H MET A 49 0.601 12.370 4.336 1.00 0.00 H ATOM 772 N LEU A 50 1.952 10.225 1.129 1.00 12.57 N ATOM 773 CA LEU A 50 3.136 9.450 0.882 1.00 14.16 C ATOM 774 C LEU A 50 4.170 10.346 0.236 1.00 18.48 C ATOM 775 O LEU A 50 3.852 11.195 -0.587 1.00 23.65 O ATOM 776 CB LEU A 50 2.839 8.264 -0.015 1.00 11.95 C ATOM 777 CG LEU A 50 3.980 7.264 -0.161 1.00 23.71 C ATOM 778 CD1 LEU A 50 4.115 6.383 1.057 1.00 21.03 C ATOM 779 CD2 LEU A 50 3.739 6.394 -1.348 1.00 23.88 C ATOM 780 HA LEU A 50 3.512 9.060 1.828 1.00 0.00 H ATOM 781 HB2 LEU A 50 1.978 7.737 0.395 1.00 0.00 H ATOM 782 HB3 LEU A 50 2.593 8.643 -1.007 1.00 0.00 H ATOM 783 HG LEU A 50 4.900 7.837 -0.281 1.00 0.00 H ATOM 784 HD21 LEU A 50 2.801 5.855 -1.217 1.00 0.00 H ATOM 785 HD22 LEU A 50 3.683 7.012 -2.244 1.00 0.00 H ATOM 786 HD23 LEU A 50 4.558 5.681 -1.447 1.00 0.00 H ATOM 787 HD11 LEU A 50 4.313 7.002 1.932 1.00 0.00 H ATOM 788 HD12 LEU A 50 3.190 5.827 1.206 1.00 0.00 H ATOM 789 HD13 LEU A 50 4.940 5.686 0.910 1.00 0.00 H ATOM 790 H LEU A 50 1.093 10.034 0.575 1.00 0.00 H ATOM 791 N GLY A 51 5.409 10.218 0.693 1.00 16.43 N ATOM 792 CA GLY A 51 6.523 10.908 0.085 1.00 25.36 C ATOM 793 C GLY A 51 6.812 12.284 0.664 1.00 37.86 C ATOM 794 O GLY A 51 7.845 12.847 0.309 1.00 41.17 O ATOM 795 HA3 GLY A 51 6.311 11.024 -0.978 1.00 0.00 H ATOM 796 HA2 GLY A 51 7.414 10.292 0.211 1.00 0.00 H ATOM 797 H GLY A 51 5.583 9.603 1.513 1.00 0.00 H ATOM 798 N LYS A 52 6.008 12.837 1.580 1.00 23.52 N ATOM 799 CA LYS A 52 6.246 14.174 2.133 1.00 16.40 C ATOM 800 C LYS A 52 7.053 14.205 3.423 1.00 17.66 C ATOM 801 O LYS A 52 7.093 15.225 4.100 1.00 25.35 O ATOM 802 CB LYS A 52 4.903 14.813 2.443 1.00 17.13 C ATOM 803 CG LYS A 52 3.982 14.851 1.242 1.00 34.16 C ATOM 804 CD LYS A 52 4.528 15.656 0.068 1.00 39.60 C ATOM 805 CE LYS A 52 3.987 17.087 0.051 1.00 79.21 C ATOM 806 NZ LYS A 52 4.352 17.800 -1.168 1.00 68.49 N ATOM 807 HA LYS A 52 6.825 14.703 1.376 1.00 0.00 H ATOM 808 HB2 LYS A 52 4.419 14.242 3.235 1.00 0.00 H ATOM 809 HB3 LYS A 52 5.073 15.834 2.785 1.00 0.00 H ATOM 810 HG2 LYS A 52 3.812 13.828 0.907 1.00 0.00 H ATOM 811 HG3 LYS A 52 3.034 15.293 1.550 1.00 0.00 H ATOM 812 HD2 LYS A 52 5.615 15.692 0.141 1.00 0.00 H ATOM 813 HD3 LYS A 52 4.243 15.161 -0.861 1.00 0.00 H ATOM 814 HE2 LYS A 52 4.392 17.626 0.908 1.00 0.00 H ATOM 815 HE3 LYS A 52 2.900 17.053 0.126 1.00 0.00 H ATOM 816 HZ1 LYS A 52 5.388 17.845 -1.245 1.00 0.00 H ATOM 817 HZ2 LYS A 52 3.964 17.298 -1.992 1.00 0.00 H ATOM 818 HZ3 LYS A 52 3.964 18.764 -1.134 1.00 0.00 H ATOM 819 H LYS A 52 5.183 12.298 1.912 1.00 0.00 H ATOM 820 N GLN A 53 7.643 13.068 3.832 1.00 25.80 N ATOM 821 CA GLN A 53 8.286 12.911 5.139 1.00 26.19 C ATOM 822 C GLN A 53 7.455 13.308 6.375 1.00 17.56 C ATOM 823 O GLN A 53 7.939 13.755 7.411 1.00 17.09 O ATOM 824 CB GLN A 53 9.651 13.589 5.158 1.00 41.87 C ATOM 825 CG GLN A 53 10.720 12.906 4.332 1.00 26.68 C ATOM 826 CD GLN A 53 12.054 13.629 4.498 1.00 64.57 C ATOM 827 OE1 GLN A 53 12.146 14.857 4.445 1.00 59.44 O ATOM 828 NE2 GLN A 53 13.118 12.873 4.721 1.00 66.86 N ATOM 829 HA GLN A 53 8.396 11.832 5.243 1.00 0.00 H ATOM 830 HB2 GLN A 53 9.529 14.604 4.780 1.00 0.00 H ATOM 831 HB3 GLN A 53 9.995 13.626 6.192 1.00 0.00 H ATOM 832 HG2 GLN A 53 10.826 11.873 4.663 1.00 0.00 H ATOM 833 HG3 GLN A 53 10.429 12.922 3.282 1.00 0.00 H ATOM 834 HE22 GLN A 53 13.021 11.838 4.762 1.00 0.00 H ATOM 835 HE21 GLN A 53 14.050 13.314 4.855 1.00 0.00 H ATOM 836 H GLN A 53 7.643 12.254 3.184 1.00 0.00 H ATOM 837 N GLU A 54 6.150 13.067 6.283 1.00 12.54 N ATOM 838 CA GLU A 54 5.266 13.265 7.417 1.00 13.97 C ATOM 839 C GLU A 54 5.419 12.178 8.471 1.00 12.18 C ATOM 840 O GLU A 54 5.185 12.417 9.655 1.00 12.93 O ATOM 841 CB GLU A 54 3.843 13.293 6.925 1.00 13.36 C ATOM 842 CG GLU A 54 3.575 14.437 5.960 1.00 13.00 C ATOM 843 CD GLU A 54 2.128 14.544 5.492 1.00 21.07 C ATOM 844 OE1 GLU A 54 1.303 13.667 5.760 1.00 22.75 O ATOM 845 OE2 GLU A 54 1.803 15.524 4.844 1.00 26.18 O ATOM 846 HA GLU A 54 5.533 14.210 7.889 1.00 0.00 H ATOM 847 HB2 GLU A 54 3.631 12.352 6.417 1.00 0.00 H ATOM 848 HB3 GLU A 54 3.180 13.399 7.783 1.00 0.00 H ATOM 849 HG2 GLU A 54 3.843 15.370 6.455 1.00 0.00 H ATOM 850 HG3 GLU A 54 4.207 14.298 5.083 1.00 0.00 H ATOM 851 H GLU A 54 5.756 12.730 5.381 1.00 0.00 H ATOM 852 N VAL A 55 5.792 10.964 8.039 1.00 11.28 N ATOM 853 CA VAL A 55 5.866 9.820 8.929 1.00 5.68 C ATOM 854 C VAL A 55 7.259 9.193 8.880 1.00 9.59 C ATOM 855 O VAL A 55 8.072 9.481 7.993 1.00 13.30 O ATOM 856 CB VAL A 55 4.749 8.801 8.577 1.00 8.42 C ATOM 857 CG1 VAL A 55 3.370 9.373 8.930 1.00 5.29 C ATOM 858 CG2 VAL A 55 4.865 8.327 7.100 1.00 10.91 C ATOM 859 HA VAL A 55 5.700 10.148 9.955 1.00 0.00 H ATOM 860 HB VAL A 55 4.878 7.906 9.186 1.00 0.00 H ATOM 861 HG11 VAL A 55 3.330 9.589 9.998 1.00 0.00 H ATOM 862 HG12 VAL A 55 3.204 10.291 8.366 1.00 0.00 H ATOM 863 HG13 VAL A 55 2.600 8.644 8.676 1.00 0.00 H ATOM 864 HG21 VAL A 55 4.774 9.186 6.436 1.00 0.00 H ATOM 865 HG22 VAL A 55 5.833 7.849 6.948 1.00 0.00 H ATOM 866 HG23 VAL A 55 4.069 7.614 6.885 1.00 0.00 H ATOM 867 H VAL A 55 6.036 10.839 7.036 1.00 0.00 H ATOM 868 N ILE A 56 7.539 8.306 9.827 1.00 6.13 N ATOM 869 CA ILE A 56 8.812 7.611 9.893 1.00 11.35 C ATOM 870 C ILE A 56 9.121 6.836 8.626 1.00 11.05 C ATOM 871 O ILE A 56 8.226 6.388 7.895 1.00 10.94 O ATOM 872 CB ILE A 56 8.912 6.698 11.145 1.00 9.45 C ATOM 873 CG1 ILE A 56 7.807 5.617 11.167 1.00 5.31 C ATOM 874 CG2 ILE A 56 8.933 7.580 12.397 1.00 8.84 C ATOM 875 CD1 ILE A 56 7.892 4.605 12.297 1.00 7.74 C ATOM 876 HA ILE A 56 9.573 8.386 9.986 1.00 0.00 H ATOM 877 HB ILE A 56 9.843 6.133 11.114 1.00 0.00 H ATOM 878 HG12 ILE A 56 6.845 6.124 11.244 1.00 0.00 H ATOM 879 HG13 ILE A 56 7.855 5.071 10.225 1.00 0.00 H ATOM 880 HD11 ILE A 56 8.840 4.070 12.234 1.00 0.00 H ATOM 881 HD12 ILE A 56 7.829 5.124 13.253 1.00 0.00 H ATOM 882 HD13 ILE A 56 7.068 3.897 12.212 1.00 0.00 H ATOM 883 HG21 ILE A 56 9.794 8.247 12.355 1.00 0.00 H ATOM 884 HG22 ILE A 56 8.017 8.169 12.440 1.00 0.00 H ATOM 885 HG23 ILE A 56 9.003 6.949 13.283 1.00 0.00 H ATOM 886 H ILE A 56 6.819 8.101 10.549 1.00 0.00 H ATOM 887 N ARG A 57 10.413 6.641 8.372 1.00 8.31 N ATOM 888 CA ARG A 57 10.883 6.046 7.139 1.00 9.12 C ATOM 889 C ARG A 57 10.329 4.657 6.830 1.00 9.73 C ATOM 890 O ARG A 57 10.001 4.310 5.688 1.00 11.55 O ATOM 891 CB ARG A 57 12.390 6.009 7.226 1.00 13.65 C ATOM 892 CG ARG A 57 13.025 5.548 5.952 1.00 13.35 C ATOM 893 CD ARG A 57 14.540 5.650 6.054 1.00 27.70 C ATOM 894 NE ARG A 57 15.067 5.173 4.782 1.00 32.60 N ATOM 895 CZ ARG A 57 16.373 5.108 4.477 1.00 63.58 C ATOM 896 NH1 ARG A 57 17.328 5.506 5.317 1.00 64.64 N ATOM 897 NH2 ARG A 57 16.740 4.674 3.272 1.00 55.48 N ATOM 898 HA ARG A 57 10.520 6.657 6.313 1.00 0.00 H ATOM 899 HB2 ARG A 57 12.752 7.011 7.455 1.00 0.00 H ATOM 900 HB3 ARG A 57 12.678 5.328 8.027 1.00 0.00 H ATOM 901 HG2 ARG A 57 12.745 4.511 5.764 1.00 0.00 H ATOM 902 HG3 ARG A 57 12.676 6.172 5.129 1.00 0.00 H ATOM 903 HD2 ARG A 57 14.906 5.029 6.872 1.00 0.00 H ATOM 904 HD3 ARG A 57 14.839 6.685 6.223 1.00 0.00 H ATOM 905 HE ARG A 57 14.385 4.862 4.061 1.00 0.00 H ATOM 906 HH12 ARG A 57 18.328 5.437 5.038 1.00 0.00 H ATOM 907 HH11 ARG A 57 17.074 5.885 6.251 1.00 0.00 H ATOM 908 HH22 ARG A 57 17.748 4.619 3.024 1.00 0.00 H ATOM 909 HH21 ARG A 57 16.018 4.390 2.579 1.00 0.00 H ATOM 910 H ARG A 57 11.112 6.927 9.087 1.00 0.00 H ATOM 911 N GLY A 58 10.196 3.847 7.877 1.00 9.85 N ATOM 912 CA GLY A 58 9.639 2.519 7.752 1.00 11.31 C ATOM 913 C GLY A 58 8.208 2.498 7.242 1.00 11.34 C ATOM 914 O GLY A 58 7.827 1.531 6.578 1.00 12.57 O ATOM 915 HA3 GLY A 58 9.661 2.043 8.732 1.00 0.00 H ATOM 916 HA2 GLY A 58 10.259 1.950 7.059 1.00 0.00 H ATOM 917 H GLY A 58 10.502 4.179 8.814 1.00 0.00 H ATOM 918 N TRP A 59 7.418 3.536 7.565 1.00 9.25 N ATOM 919 CA TRP A 59 6.084 3.662 7.036 1.00 5.89 C ATOM 920 C TRP A 59 6.173 4.115 5.604 1.00 11.62 C ATOM 921 O TRP A 59 5.462 3.562 4.776 1.00 10.65 O ATOM 922 CB TRP A 59 5.212 4.650 7.798 1.00 2.00 C ATOM 923 CG TRP A 59 4.390 3.977 8.883 1.00 7.15 C ATOM 924 CD1 TRP A 59 4.957 3.282 9.922 1.00 9.09 C ATOM 925 CD2 TRP A 59 3.022 4.024 8.981 1.00 12.44 C ATOM 926 NE1 TRP A 59 3.938 2.910 10.664 1.00 14.82 N ATOM 927 CE2 TRP A 59 2.776 3.338 10.155 1.00 9.06 C ATOM 928 CE3 TRP A 59 1.976 4.592 8.280 1.00 10.43 C ATOM 929 CZ2 TRP A 59 1.492 3.225 10.673 1.00 6.28 C ATOM 930 CZ3 TRP A 59 0.701 4.489 8.796 1.00 12.15 C ATOM 931 CH2 TRP A 59 0.456 3.812 9.975 1.00 8.16 C ATOM 932 HA TRP A 59 5.616 2.682 7.131 1.00 0.00 H ATOM 933 HB2 TRP A 59 5.854 5.401 8.259 1.00 0.00 H ATOM 934 HB3 TRP A 59 4.535 5.135 7.095 1.00 0.00 H ATOM 935 HE1 TRP A 59 4.024 2.353 11.538 1.00 0.00 H ATOM 936 HD1 TRP A 59 6.015 3.083 10.093 1.00 0.00 H ATOM 937 HZ2 TRP A 59 1.308 2.688 11.604 1.00 0.00 H ATOM 938 HH2 TRP A 59 -0.563 3.741 10.357 1.00 0.00 H ATOM 939 HZ3 TRP A 59 -0.130 4.951 8.263 1.00 0.00 H ATOM 940 HE3 TRP A 59 2.155 5.111 7.338 1.00 0.00 H ATOM 941 H TRP A 59 7.778 4.266 8.212 1.00 0.00 H ATOM 942 N GLU A 60 7.038 5.084 5.269 1.00 10.64 N ATOM 943 CA GLU A 60 7.183 5.548 3.898 1.00 10.98 C ATOM 944 C GLU A 60 7.543 4.411 2.943 1.00 15.13 C ATOM 945 O GLU A 60 6.959 4.255 1.870 1.00 18.15 O ATOM 946 CB GLU A 60 8.260 6.631 3.809 1.00 10.74 C ATOM 947 CG GLU A 60 8.012 7.965 4.510 1.00 19.92 C ATOM 948 CD GLU A 60 7.200 8.970 3.705 1.00 18.76 C ATOM 949 OE1 GLU A 60 6.054 8.703 3.381 1.00 32.83 O ATOM 950 OE2 GLU A 60 7.729 10.028 3.398 1.00 44.50 O ATOM 951 HA GLU A 60 6.217 5.956 3.600 1.00 0.00 H ATOM 952 HB2 GLU A 60 9.174 6.211 4.229 1.00 0.00 H ATOM 953 HB3 GLU A 60 8.413 6.847 2.752 1.00 0.00 H ATOM 954 HG2 GLU A 60 7.479 7.766 5.440 1.00 0.00 H ATOM 955 HG3 GLU A 60 8.979 8.414 4.736 1.00 0.00 H ATOM 956 H GLU A 60 7.623 5.517 6.012 1.00 0.00 H ATOM 957 N GLU A 61 8.496 3.579 3.335 1.00 9.75 N ATOM 958 CA GLU A 61 8.879 2.443 2.520 1.00 11.54 C ATOM 959 C GLU A 61 7.951 1.256 2.638 1.00 8.40 C ATOM 960 O GLU A 61 7.754 0.522 1.668 1.00 11.35 O ATOM 961 CB GLU A 61 10.292 2.007 2.872 1.00 11.79 C ATOM 962 CG GLU A 61 11.215 3.062 2.265 1.00 44.46 C ATOM 963 CD GLU A 61 12.709 2.945 2.517 1.00 52.63 C ATOM 964 OE1 GLU A 61 13.235 1.867 2.791 1.00 26.54 O ATOM 965 OE2 GLU A 61 13.367 3.969 2.403 1.00 28.84 O ATOM 966 HA GLU A 61 8.818 2.785 1.487 1.00 0.00 H ATOM 967 HB2 GLU A 61 10.419 1.968 3.954 1.00 0.00 H ATOM 968 HB3 GLU A 61 10.504 1.026 2.447 1.00 0.00 H ATOM 969 HG2 GLU A 61 11.067 3.038 1.185 1.00 0.00 H ATOM 970 HG3 GLU A 61 10.897 4.030 2.652 1.00 0.00 H ATOM 971 H GLU A 61 8.977 3.743 4.242 1.00 0.00 H ATOM 972 N GLY A 62 7.393 1.043 3.819 1.00 6.34 N ATOM 973 CA GLY A 62 6.525 -0.089 4.072 1.00 11.76 C ATOM 974 C GLY A 62 5.216 0.039 3.329 1.00 14.21 C ATOM 975 O GLY A 62 4.843 -0.847 2.556 1.00 11.00 O ATOM 976 HA3 GLY A 62 6.321 -0.147 5.141 1.00 0.00 H ATOM 977 HA2 GLY A 62 7.028 -1.000 3.749 1.00 0.00 H ATOM 978 H GLY A 62 7.584 1.712 4.592 1.00 0.00 H ATOM 979 N VAL A 63 4.532 1.176 3.508 1.00 12.36 N ATOM 980 CA VAL A 63 3.231 1.383 2.893 1.00 8.38 C ATOM 981 C VAL A 63 3.316 1.490 1.369 1.00 10.73 C ATOM 982 O VAL A 63 2.426 1.004 0.671 1.00 11.09 O ATOM 983 CB VAL A 63 2.477 2.554 3.586 1.00 10.46 C ATOM 984 CG1 VAL A 63 1.152 2.864 2.892 1.00 7.10 C ATOM 985 CG2 VAL A 63 2.236 2.219 5.070 1.00 13.30 C ATOM 986 HA VAL A 63 2.622 0.494 3.060 1.00 0.00 H ATOM 987 HB VAL A 63 3.102 3.444 3.512 1.00 0.00 H ATOM 988 HG11 VAL A 63 1.343 3.144 1.856 1.00 0.00 H ATOM 989 HG12 VAL A 63 0.514 1.981 2.919 1.00 0.00 H ATOM 990 HG13 VAL A 63 0.657 3.687 3.407 1.00 0.00 H ATOM 991 HG21 VAL A 63 1.636 1.312 5.144 1.00 0.00 H ATOM 992 HG22 VAL A 63 3.194 2.064 5.566 1.00 0.00 H ATOM 993 HG23 VAL A 63 1.708 3.045 5.546 1.00 0.00 H ATOM 994 H VAL A 63 4.940 1.927 4.100 1.00 0.00 H ATOM 995 N ALA A 64 4.406 2.049 0.822 1.00 8.64 N ATOM 996 CA ALA A 64 4.603 2.091 -0.611 1.00 5.07 C ATOM 997 C ALA A 64 4.567 0.745 -1.337 1.00 10.97 C ATOM 998 O ALA A 64 4.244 0.673 -2.531 1.00 11.35 O ATOM 999 CB ALA A 64 5.946 2.736 -0.902 1.00 9.58 C ATOM 1000 HA ALA A 64 3.753 2.658 -0.991 1.00 0.00 H ATOM 1001 HB1 ALA A 64 5.957 3.748 -0.497 1.00 0.00 H ATOM 1002 HB2 ALA A 64 6.738 2.149 -0.437 1.00 0.00 H ATOM 1003 HB3 ALA A 64 6.104 2.772 -1.980 1.00 0.00 H ATOM 1004 H ALA A 64 5.129 2.463 1.445 1.00 0.00 H ATOM 1005 N GLN A 65 4.866 -0.363 -0.648 1.00 8.60 N ATOM 1006 CA GLN A 65 4.817 -1.649 -1.328 1.00 3.86 C ATOM 1007 C GLN A 65 3.521 -2.390 -1.037 1.00 7.84 C ATOM 1008 O GLN A 65 3.405 -3.585 -1.318 1.00 13.14 O ATOM 1009 CB GLN A 65 6.063 -2.460 -1.029 1.00 14.43 C ATOM 1010 CG GLN A 65 6.304 -2.643 0.436 1.00 9.21 C ATOM 1011 CD GLN A 65 7.655 -3.240 0.752 1.00 18.89 C ATOM 1012 OE1 GLN A 65 7.850 -4.456 0.694 1.00 16.81 O ATOM 1013 NE2 GLN A 65 8.622 -2.417 1.129 1.00 16.04 N ATOM 1014 HA GLN A 65 4.813 -1.475 -2.404 1.00 0.00 H ATOM 1015 HB2 GLN A 65 5.957 -3.442 -1.489 1.00 0.00 H ATOM 1016 HB3 GLN A 65 6.923 -1.948 -1.461 1.00 0.00 H ATOM 1017 HG2 GLN A 65 6.234 -1.670 0.922 1.00 0.00 H ATOM 1018 HG3 GLN A 65 5.533 -3.303 0.833 1.00 0.00 H ATOM 1019 HE22 GLN A 65 8.445 -1.393 1.174 1.00 0.00 H ATOM 1020 HE21 GLN A 65 9.558 -2.795 1.380 1.00 0.00 H ATOM 1021 H GLN A 65 5.129 -0.306 0.357 1.00 0.00 H ATOM 1022 N MET A 66 2.526 -1.708 -0.469 1.00 12.58 N ATOM 1023 CA MET A 66 1.278 -2.360 -0.162 1.00 9.01 C ATOM 1024 C MET A 66 0.279 -1.954 -1.229 1.00 5.22 C ATOM 1025 O MET A 66 0.324 -0.856 -1.779 1.00 11.06 O ATOM 1026 CB MET A 66 0.795 -1.977 1.233 1.00 8.72 C ATOM 1027 CG MET A 66 1.586 -2.584 2.396 1.00 14.13 C ATOM 1028 SD MET A 66 1.010 -1.927 3.979 1.00 13.76 S ATOM 1029 CE MET A 66 -0.513 -2.835 4.016 1.00 11.06 C ATOM 1030 HA MET A 66 1.400 -3.443 -0.160 1.00 0.00 H ATOM 1031 HB2 MET A 66 0.848 -0.892 1.321 1.00 0.00 H ATOM 1032 HB3 MET A 66 -0.242 -2.297 1.329 1.00 0.00 H ATOM 1033 HG2 MET A 66 2.642 -2.345 2.273 1.00 0.00 H ATOM 1034 HG3 MET A 66 1.457 -3.666 2.390 1.00 0.00 H ATOM 1035 HE1 MET A 66 -1.114 -2.569 3.147 1.00 0.00 H ATOM 1036 HE2 MET A 66 -0.298 -3.903 3.998 1.00 0.00 H ATOM 1037 HE3 MET A 66 -1.059 -2.589 4.926 1.00 0.00 H ATOM 1038 H MET A 66 2.651 -0.700 -0.246 1.00 0.00 H ATOM 1039 N SER A 67 -0.624 -2.870 -1.551 1.00 8.79 N ATOM 1040 CA SER A 67 -1.719 -2.517 -2.428 1.00 11.09 C ATOM 1041 C SER A 67 -3.022 -2.272 -1.664 1.00 15.47 C ATOM 1042 O SER A 67 -3.145 -2.711 -0.508 1.00 12.61 O ATOM 1043 CB SER A 67 -1.871 -3.548 -3.519 1.00 8.47 C ATOM 1044 OG SER A 67 -2.072 -4.887 -3.109 1.00 11.08 O ATOM 1045 HA SER A 67 -1.477 -1.566 -2.902 1.00 0.00 H ATOM 1046 HB2 SER A 67 -0.966 -3.521 -4.126 1.00 0.00 H ATOM 1047 HB3 SER A 67 -2.726 -3.258 -4.130 1.00 0.00 H ATOM 1048 HG SER A 67 -1.300 -5.184 -2.565 1.00 0.00 H ATOM 1049 H SER A 67 -0.546 -3.837 -1.175 1.00 0.00 H ATOM 1050 N VAL A 68 -4.015 -1.616 -2.286 1.00 13.66 N ATOM 1051 CA VAL A 68 -5.265 -1.301 -1.624 1.00 10.45 C ATOM 1052 C VAL A 68 -5.930 -2.574 -1.150 1.00 6.70 C ATOM 1053 O VAL A 68 -5.995 -3.535 -1.918 1.00 10.56 O ATOM 1054 CB VAL A 68 -6.183 -0.467 -2.550 1.00 22.97 C ATOM 1055 CG1 VAL A 68 -7.561 -0.162 -1.944 1.00 11.78 C ATOM 1056 CG2 VAL A 68 -5.511 0.851 -2.829 1.00 13.49 C ATOM 1057 HA VAL A 68 -5.064 -0.686 -0.747 1.00 0.00 H ATOM 1058 HB VAL A 68 -6.341 -1.063 -3.449 1.00 0.00 H ATOM 1059 HG11 VAL A 68 -8.078 -1.098 -1.732 1.00 0.00 H ATOM 1060 HG12 VAL A 68 -7.433 0.402 -1.020 1.00 0.00 H ATOM 1061 HG13 VAL A 68 -8.146 0.425 -2.652 1.00 0.00 H ATOM 1062 HG21 VAL A 68 -5.349 1.381 -1.890 1.00 0.00 H ATOM 1063 HG22 VAL A 68 -4.553 0.673 -3.317 1.00 0.00 H ATOM 1064 HG23 VAL A 68 -6.146 1.451 -3.481 1.00 0.00 H ATOM 1065 H VAL A 68 -3.883 -1.324 -3.275 1.00 0.00 H ATOM 1066 N GLY A 69 -6.344 -2.591 0.112 1.00 12.27 N ATOM 1067 CA GLY A 69 -7.019 -3.716 0.737 1.00 12.60 C ATOM 1068 C GLY A 69 -6.084 -4.587 1.575 1.00 16.68 C ATOM 1069 O GLY A 69 -6.540 -5.404 2.375 1.00 12.60 O ATOM 1070 HA3 GLY A 69 -7.461 -4.334 -0.045 1.00 0.00 H ATOM 1071 HA2 GLY A 69 -7.808 -3.332 1.384 1.00 0.00 H ATOM 1072 H GLY A 69 -6.174 -1.744 0.691 1.00 0.00 H ATOM 1073 N GLN A 70 -4.767 -4.425 1.407 1.00 9.90 N ATOM 1074 CA GLN A 70 -3.837 -5.290 2.065 1.00 5.02 C ATOM 1075 C GLN A 70 -3.777 -4.939 3.543 1.00 8.32 C ATOM 1076 O GLN A 70 -3.816 -3.767 3.911 1.00 13.62 O ATOM 1077 CB GLN A 70 -2.479 -5.108 1.444 1.00 2.98 C ATOM 1078 CG GLN A 70 -1.464 -6.150 1.926 1.00 6.45 C ATOM 1079 CD GLN A 70 -0.145 -6.045 1.200 1.00 11.80 C ATOM 1080 OE1 GLN A 70 -0.071 -5.465 0.116 1.00 16.00 O ATOM 1081 NE2 GLN A 70 0.943 -6.614 1.680 1.00 12.64 N ATOM 1082 HA GLN A 70 -4.154 -6.327 1.957 1.00 0.00 H ATOM 1083 HB2 GLN A 70 -2.576 -5.190 0.361 1.00 0.00 H ATOM 1084 HB3 GLN A 70 -2.108 -4.115 1.700 1.00 0.00 H ATOM 1085 HG2 GLN A 70 -1.290 -6.003 2.992 1.00 0.00 H ATOM 1086 HG3 GLN A 70 -1.877 -7.145 1.760 1.00 0.00 H ATOM 1087 HE22 GLN A 70 0.910 -7.111 2.593 1.00 0.00 H ATOM 1088 HE21 GLN A 70 1.834 -6.566 1.146 1.00 0.00 H ATOM 1089 H GLN A 70 -4.416 -3.663 0.792 1.00 0.00 H ATOM 1090 N ARG A 71 -3.610 -5.952 4.386 1.00 8.72 N ATOM 1091 CA ARG A 71 -3.298 -5.763 5.789 1.00 6.13 C ATOM 1092 C ARG A 71 -1.942 -6.416 6.008 1.00 11.97 C ATOM 1093 O ARG A 71 -1.748 -7.566 5.592 1.00 9.70 O ATOM 1094 CB ARG A 71 -4.398 -6.389 6.650 1.00 4.08 C ATOM 1095 CG ARG A 71 -4.161 -6.112 8.095 1.00 5.95 C ATOM 1096 CD ARG A 71 -5.408 -6.513 8.869 1.00 15.19 C ATOM 1097 NE ARG A 71 -5.181 -6.428 10.310 1.00 14.21 N ATOM 1098 CZ ARG A 71 -6.097 -6.771 11.224 1.00 19.71 C ATOM 1099 NH1 ARG A 71 -7.273 -7.277 10.883 1.00 19.34 N ATOM 1100 NH2 ARG A 71 -5.842 -6.612 12.514 1.00 14.73 N ATOM 1101 HA ARG A 71 -3.252 -4.712 6.073 1.00 0.00 H ATOM 1102 HB2 ARG A 71 -5.362 -5.971 6.359 1.00 0.00 H ATOM 1103 HB3 ARG A 71 -4.408 -7.467 6.489 1.00 0.00 H ATOM 1104 HG2 ARG A 71 -3.307 -6.691 8.446 1.00 0.00 H ATOM 1105 HG3 ARG A 71 -3.963 -5.050 8.239 1.00 0.00 H ATOM 1106 HD2 ARG A 71 -5.674 -7.538 8.610 1.00 0.00 H ATOM 1107 HD3 ARG A 71 -6.226 -5.846 8.597 1.00 0.00 H ATOM 1108 HE ARG A 71 -4.258 -6.083 10.643 1.00 0.00 H ATOM 1109 HH12 ARG A 71 -7.962 -7.533 11.619 1.00 0.00 H ATOM 1110 HH11 ARG A 71 -7.507 -7.418 9.880 1.00 0.00 H ATOM 1111 HH22 ARG A 71 -6.555 -6.879 13.222 1.00 0.00 H ATOM 1112 HH21 ARG A 71 -4.928 -6.220 12.819 1.00 0.00 H ATOM 1113 H ARG A 71 -3.707 -6.922 4.024 1.00 0.00 H ATOM 1114 N ALA A 72 -0.987 -5.740 6.640 1.00 7.24 N ATOM 1115 CA ALA A 72 0.354 -6.268 6.821 1.00 11.91 C ATOM 1116 C ALA A 72 0.958 -5.948 8.187 1.00 8.84 C ATOM 1117 O ALA A 72 0.586 -4.995 8.862 1.00 8.80 O ATOM 1118 CB ALA A 72 1.255 -5.702 5.728 1.00 10.80 C ATOM 1119 HA ALA A 72 0.282 -7.354 6.760 1.00 0.00 H ATOM 1120 HB1 ALA A 72 0.869 -5.997 4.752 1.00 0.00 H ATOM 1121 HB2 ALA A 72 1.272 -4.615 5.800 1.00 0.00 H ATOM 1122 HB3 ALA A 72 2.265 -6.092 5.854 1.00 0.00 H ATOM 1123 H ALA A 72 -1.209 -4.797 7.019 1.00 0.00 H ATOM 1124 N LYS A 73 1.848 -6.815 8.647 1.00 7.18 N ATOM 1125 CA LYS A 73 2.652 -6.581 9.821 1.00 6.47 C ATOM 1126 C LYS A 73 3.945 -5.968 9.276 1.00 8.25 C ATOM 1127 O LYS A 73 4.612 -6.541 8.407 1.00 10.41 O ATOM 1128 CB LYS A 73 2.933 -7.910 10.482 1.00 7.24 C ATOM 1129 CG LYS A 73 3.850 -7.802 11.652 1.00 10.08 C ATOM 1130 CD LYS A 73 4.298 -9.215 11.830 1.00 20.02 C ATOM 1131 CE LYS A 73 5.555 -9.246 12.640 1.00 40.73 C ATOM 1132 NZ LYS A 73 5.263 -9.663 13.984 1.00 23.83 N ATOM 1133 HA LYS A 73 2.176 -5.935 10.559 1.00 0.00 H ATOM 1134 HB2 LYS A 73 1.988 -8.336 10.820 1.00 0.00 H ATOM 1135 HB3 LYS A 73 3.387 -8.574 9.746 1.00 0.00 H ATOM 1136 HG2 LYS A 73 4.692 -7.144 11.436 1.00 0.00 H ATOM 1137 HG3 LYS A 73 3.324 -7.439 12.535 1.00 0.00 H ATOM 1138 HD2 LYS A 73 3.521 -9.780 12.345 1.00 0.00 H ATOM 1139 HD3 LYS A 73 4.484 -9.662 10.854 1.00 0.00 H ATOM 1140 HE2 LYS A 73 5.997 -8.250 12.659 1.00 0.00 H ATOM 1141 HE3 LYS A 73 6.258 -9.946 12.189 1.00 0.00 H ATOM 1142 HZ1 LYS A 73 4.593 -8.994 14.415 1.00 0.00 H ATOM 1143 HZ2 LYS A 73 4.842 -10.614 13.967 1.00 0.00 H ATOM 1144 HZ3 LYS A 73 6.142 -9.681 14.539 1.00 0.00 H ATOM 1145 H LYS A 73 1.973 -7.711 8.135 1.00 0.00 H ATOM 1146 N LEU A 74 4.261 -4.765 9.749 1.00 7.63 N ATOM 1147 CA LEU A 74 5.503 -4.073 9.414 1.00 6.00 C ATOM 1148 C LEU A 74 6.433 -4.158 10.600 1.00 8.48 C ATOM 1149 O LEU A 74 6.048 -3.694 11.666 1.00 11.64 O ATOM 1150 CB LEU A 74 5.252 -2.594 9.077 1.00 7.28 C ATOM 1151 CG LEU A 74 4.823 -2.163 7.690 1.00 10.30 C ATOM 1152 CD1 LEU A 74 3.492 -2.735 7.286 1.00 26.74 C ATOM 1153 CD2 LEU A 74 4.673 -0.655 7.703 1.00 11.53 C ATOM 1154 HA LEU A 74 5.941 -4.549 8.537 1.00 0.00 H ATOM 1155 HB2 LEU A 74 4.476 -2.249 9.761 1.00 0.00 H ATOM 1156 HB3 LEU A 74 6.182 -2.067 9.290 1.00 0.00 H ATOM 1157 HG LEU A 74 5.576 -2.518 6.986 1.00 0.00 H ATOM 1158 HD21 LEU A 74 3.920 -0.372 8.439 1.00 0.00 H ATOM 1159 HD22 LEU A 74 5.628 -0.198 7.965 1.00 0.00 H ATOM 1160 HD23 LEU A 74 4.364 -0.313 6.715 1.00 0.00 H ATOM 1161 HD11 LEU A 74 3.548 -3.824 7.294 1.00 0.00 H ATOM 1162 HD12 LEU A 74 2.727 -2.404 7.989 1.00 0.00 H ATOM 1163 HD13 LEU A 74 3.239 -2.390 6.283 1.00 0.00 H ATOM 1164 H LEU A 74 3.590 -4.294 10.389 1.00 0.00 H ATOM 1165 N THR A 75 7.622 -4.744 10.507 1.00 8.68 N ATOM 1166 CA THR A 75 8.595 -4.703 11.598 1.00 12.38 C ATOM 1167 C THR A 75 9.671 -3.694 11.212 1.00 12.11 C ATOM 1168 O THR A 75 10.273 -3.804 10.139 1.00 11.11 O ATOM 1169 CB THR A 75 9.245 -6.062 11.812 1.00 10.07 C ATOM 1170 OG1 THR A 75 8.156 -6.961 11.983 1.00 11.55 O ATOM 1171 CG2 THR A 75 10.174 -6.048 13.032 1.00 13.86 C ATOM 1172 HA THR A 75 8.091 -4.423 12.523 1.00 0.00 H ATOM 1173 HB THR A 75 9.879 -6.354 10.975 1.00 0.00 H ATOM 1174 HG1 THR A 75 7.589 -6.948 11.172 1.00 0.00 H ATOM 1175 HG23 THR A 75 10.991 -5.348 12.857 1.00 0.00 H ATOM 1176 HG21 THR A 75 9.611 -5.738 13.912 1.00 0.00 H ATOM 1177 HG22 THR A 75 10.578 -7.048 13.191 1.00 0.00 H ATOM 1178 H THR A 75 7.868 -5.248 9.631 1.00 0.00 H ATOM 1179 N ILE A 76 9.916 -2.689 12.042 1.00 8.14 N ATOM 1180 CA ILE A 76 10.710 -1.548 11.658 1.00 7.06 C ATOM 1181 C ILE A 76 11.859 -1.432 12.660 1.00 9.06 C ATOM 1182 O ILE A 76 11.692 -1.294 13.880 1.00 11.09 O ATOM 1183 CB ILE A 76 9.796 -0.291 11.673 1.00 8.36 C ATOM 1184 CG1 ILE A 76 8.618 -0.412 10.733 1.00 10.32 C ATOM 1185 CG2 ILE A 76 10.605 0.942 11.331 1.00 7.99 C ATOM 1186 CD1 ILE A 76 7.546 0.672 10.920 1.00 10.56 C ATOM 1187 HA ILE A 76 11.127 -1.649 10.656 1.00 0.00 H ATOM 1188 HB ILE A 76 9.392 -0.204 12.682 1.00 0.00 H ATOM 1189 HG12 ILE A 76 8.990 -0.352 9.710 1.00 0.00 H ATOM 1190 HG13 ILE A 76 8.152 -1.384 10.893 1.00 0.00 H ATOM 1191 HD11 ILE A 76 7.152 0.620 11.935 1.00 0.00 H ATOM 1192 HD12 ILE A 76 7.990 1.653 10.751 1.00 0.00 H ATOM 1193 HD13 ILE A 76 6.738 0.510 10.206 1.00 0.00 H ATOM 1194 HG21 ILE A 76 11.401 1.068 12.065 1.00 0.00 H ATOM 1195 HG22 ILE A 76 11.040 0.826 10.338 1.00 0.00 H ATOM 1196 HG23 ILE A 76 9.955 1.817 11.344 1.00 0.00 H ATOM 1197 H ILE A 76 9.522 -2.725 13.004 1.00 0.00 H ATOM 1198 N SER A 77 13.068 -1.411 12.113 1.00 8.81 N ATOM 1199 CA SER A 77 14.250 -1.311 12.952 1.00 7.83 C ATOM 1200 C SER A 77 14.345 0.106 13.479 1.00 7.30 C ATOM 1201 O SER A 77 13.849 0.992 12.789 1.00 11.14 O ATOM 1202 CB SER A 77 15.497 -1.685 12.137 1.00 8.20 C ATOM 1203 OG SER A 77 15.654 -0.913 10.938 1.00 15.98 O ATOM 1204 HA SER A 77 14.182 -2.001 13.793 1.00 0.00 H ATOM 1205 HB2 SER A 77 15.426 -2.737 11.862 1.00 0.00 H ATOM 1206 HB3 SER A 77 16.376 -1.532 12.763 1.00 0.00 H ATOM 1207 HG SER A 77 14.867 -1.050 10.353 1.00 0.00 H ATOM 1208 H SER A 77 13.170 -1.466 11.079 1.00 0.00 H ATOM 1209 N PRO A 78 15.036 0.422 14.569 1.00 11.54 N ATOM 1210 CA PRO A 78 15.088 1.750 15.171 1.00 7.44 C ATOM 1211 C PRO A 78 15.574 2.803 14.213 1.00 8.77 C ATOM 1212 O PRO A 78 15.087 3.921 14.275 1.00 14.50 O ATOM 1213 CB PRO A 78 16.115 1.632 16.249 1.00 14.11 C ATOM 1214 CG PRO A 78 16.041 0.202 16.644 1.00 16.36 C ATOM 1215 CD PRO A 78 15.821 -0.524 15.340 1.00 16.21 C ATOM 1216 HA PRO A 78 14.093 2.045 15.505 1.00 0.00 H ATOM 1217 HD3 PRO A 78 16.769 -0.741 14.847 1.00 0.00 H ATOM 1218 HD2 PRO A 78 15.273 -1.453 15.496 1.00 0.00 H ATOM 1219 HG3 PRO A 78 15.210 0.031 17.328 1.00 0.00 H ATOM 1220 HG2 PRO A 78 16.970 -0.119 17.115 1.00 0.00 H ATOM 1221 HB2 PRO A 78 17.107 1.881 15.872 1.00 0.00 H ATOM 1222 HB3 PRO A 78 15.874 2.282 17.090 1.00 0.00 H ATOM 1223 N ASP A 79 16.521 2.494 13.334 1.00 10.39 N ATOM 1224 CA ASP A 79 16.994 3.458 12.367 1.00 11.10 C ATOM 1225 C ASP A 79 15.969 3.832 11.306 1.00 20.89 C ATOM 1226 O ASP A 79 16.142 4.825 10.614 1.00 18.96 O ATOM 1227 CB ASP A 79 18.304 3.017 11.724 1.00 10.92 C ATOM 1228 CG ASP A 79 18.248 1.750 10.895 1.00 22.06 C ATOM 1229 OD1 ASP A 79 17.790 0.743 11.413 1.00 22.96 O ATOM 1230 OD2 ASP A 79 18.672 1.770 9.743 1.00 25.87 O ATOM 1231 HA ASP A 79 17.175 4.366 12.942 1.00 0.00 H ATOM 1232 HB2 ASP A 79 18.645 3.824 11.076 1.00 0.00 H ATOM 1233 HB3 ASP A 79 19.031 2.861 12.521 1.00 0.00 H ATOM 1234 H ASP A 79 16.931 1.538 13.342 1.00 0.00 H ATOM 1235 N TYR A 80 14.892 3.062 11.156 1.00 15.31 N ATOM 1236 CA TYR A 80 13.797 3.412 10.251 1.00 10.00 C ATOM 1237 C TYR A 80 12.598 3.956 11.020 1.00 10.44 C ATOM 1238 O TYR A 80 11.528 4.195 10.453 1.00 9.56 O ATOM 1239 CB TYR A 80 13.396 2.189 9.444 1.00 12.34 C ATOM 1240 CG TYR A 80 14.202 2.043 8.172 1.00 12.21 C ATOM 1241 CD1 TYR A 80 15.574 2.049 8.242 1.00 19.81 C ATOM 1242 CD2 TYR A 80 13.558 1.947 6.952 1.00 9.98 C ATOM 1243 CE1 TYR A 80 16.319 1.955 7.090 1.00 32.48 C ATOM 1244 CE2 TYR A 80 14.302 1.828 5.795 1.00 13.63 C ATOM 1245 CZ TYR A 80 15.678 1.808 5.880 1.00 40.19 C ATOM 1246 OH TYR A 80 16.439 1.587 4.751 1.00 35.14 O ATOM 1247 HA TYR A 80 14.141 4.196 9.576 1.00 0.00 H ATOM 1248 HB3 TYR A 80 12.341 2.273 9.182 1.00 0.00 H ATOM 1249 HB2 TYR A 80 13.547 1.301 10.057 1.00 0.00 H ATOM 1250 HD2 TYR A 80 12.469 1.965 6.904 1.00 0.00 H ATOM 1251 HE2 TYR A 80 13.808 1.751 4.827 1.00 0.00 H ATOM 1252 HE1 TYR A 80 17.407 1.996 7.134 1.00 0.00 H ATOM 1253 HD1 TYR A 80 16.071 2.128 9.209 1.00 0.00 H ATOM 1254 HH TYR A 80 17.399 1.606 4.993 1.00 0.00 H ATOM 1255 H TYR A 80 14.827 2.180 11.702 1.00 0.00 H ATOM 1256 N ALA A 81 12.765 4.168 12.326 1.00 9.86 N ATOM 1257 CA ALA A 81 11.712 4.569 13.230 1.00 6.99 C ATOM 1258 C ALA A 81 12.286 5.753 14.032 1.00 13.78 C ATOM 1259 O ALA A 81 12.649 6.757 13.432 1.00 14.63 O ATOM 1260 CB ALA A 81 11.424 3.384 14.120 1.00 4.72 C ATOM 1261 HA ALA A 81 10.786 4.868 12.738 1.00 0.00 H ATOM 1262 HB1 ALA A 81 11.108 2.540 13.508 1.00 0.00 H ATOM 1263 HB2 ALA A 81 12.326 3.117 14.671 1.00 0.00 H ATOM 1264 HB3 ALA A 81 10.631 3.643 14.822 1.00 0.00 H ATOM 1265 H ALA A 81 13.718 4.036 12.720 1.00 0.00 H ATOM 1266 N TYR A 82 12.463 5.740 15.343 1.00 10.57 N ATOM 1267 CA TYR A 82 12.896 6.895 16.115 1.00 7.88 C ATOM 1268 C TYR A 82 14.326 6.832 16.605 1.00 9.94 C ATOM 1269 O TYR A 82 14.759 7.711 17.359 1.00 11.53 O ATOM 1270 CB TYR A 82 11.927 7.081 17.303 1.00 8.60 C ATOM 1271 CG TYR A 82 10.480 7.353 16.885 1.00 11.16 C ATOM 1272 CD1 TYR A 82 10.118 8.604 16.401 1.00 10.94 C ATOM 1273 CD2 TYR A 82 9.557 6.324 16.916 1.00 6.14 C ATOM 1274 CE1 TYR A 82 8.842 8.820 15.897 1.00 14.49 C ATOM 1275 CE2 TYR A 82 8.275 6.533 16.422 1.00 13.98 C ATOM 1276 CZ TYR A 82 7.934 7.781 15.919 1.00 14.00 C ATOM 1277 OH TYR A 82 6.668 7.997 15.452 1.00 10.90 O ATOM 1278 HA TYR A 82 12.872 7.751 15.441 1.00 0.00 H ATOM 1279 HB3 TYR A 82 12.275 7.922 17.902 1.00 0.00 H ATOM 1280 HB2 TYR A 82 11.946 6.174 17.907 1.00 0.00 H ATOM 1281 HD2 TYR A 82 9.834 5.353 17.326 1.00 0.00 H ATOM 1282 HE2 TYR A 82 7.544 5.724 16.429 1.00 0.00 H ATOM 1283 HE1 TYR A 82 8.563 9.792 15.491 1.00 0.00 H ATOM 1284 HD1 TYR A 82 10.840 9.421 16.417 1.00 0.00 H ATOM 1285 HH TYR A 82 6.017 7.842 16.182 1.00 0.00 H ATOM 1286 H TYR A 82 12.282 4.851 15.852 1.00 0.00 H ATOM 1287 N GLY A 83 15.077 5.781 16.257 1.00 8.29 N ATOM 1288 CA GLY A 83 16.521 5.780 16.424 1.00 13.72 C ATOM 1289 C GLY A 83 17.007 5.856 17.852 1.00 9.49 C ATOM 1290 O GLY A 83 16.369 5.371 18.777 1.00 10.37 O ATOM 1291 HA3 GLY A 83 16.923 6.638 15.885 1.00 0.00 H ATOM 1292 HA2 GLY A 83 16.910 4.862 15.984 1.00 0.00 H ATOM 1293 H GLY A 83 14.614 4.941 15.855 1.00 0.00 H ATOM 1294 N ALA A 84 18.142 6.510 18.054 1.00 11.50 N ATOM 1295 CA ALA A 84 18.739 6.468 19.371 1.00 14.29 C ATOM 1296 C ALA A 84 18.082 7.446 20.325 1.00 19.90 C ATOM 1297 O ALA A 84 18.271 7.385 21.525 1.00 19.35 O ATOM 1298 CB ALA A 84 20.213 6.768 19.254 1.00 13.93 C ATOM 1299 HA ALA A 84 18.589 5.469 19.781 1.00 0.00 H ATOM 1300 HB1 ALA A 84 20.684 6.023 18.613 1.00 0.00 H ATOM 1301 HB2 ALA A 84 20.347 7.759 18.821 1.00 0.00 H ATOM 1302 HB3 ALA A 84 20.668 6.738 20.244 1.00 0.00 H ATOM 1303 H ALA A 84 18.593 7.042 17.283 1.00 0.00 H ATOM 1304 N THR A 85 17.247 8.337 19.838 1.00 11.93 N ATOM 1305 CA THR A 85 16.613 9.331 20.683 1.00 26.11 C ATOM 1306 C THR A 85 15.247 8.879 21.166 1.00 19.04 C ATOM 1307 O THR A 85 14.824 9.266 22.257 1.00 18.38 O ATOM 1308 CB THR A 85 16.600 10.722 19.972 1.00 18.88 C ATOM 1309 OG1 THR A 85 15.321 11.318 20.063 1.00 46.16 O ATOM 1310 CG2 THR A 85 17.090 10.721 18.526 1.00 35.65 C ATOM 1311 HA THR A 85 17.207 9.448 21.590 1.00 0.00 H ATOM 1312 HB THR A 85 17.332 11.319 20.516 1.00 0.00 H ATOM 1313 HG1 THR A 85 14.653 10.730 19.629 1.00 0.00 H ATOM 1314 HG23 THR A 85 18.076 10.258 18.478 1.00 0.00 H ATOM 1315 HG21 THR A 85 16.392 10.157 17.908 1.00 0.00 H ATOM 1316 HG22 THR A 85 17.151 11.747 18.164 1.00 0.00 H ATOM 1317 H THR A 85 17.035 8.329 18.820 1.00 0.00 H ATOM 1318 N GLY A 86 14.535 8.115 20.331 1.00 14.37 N ATOM 1319 CA GLY A 86 13.198 7.678 20.663 1.00 8.67 C ATOM 1320 C GLY A 86 12.228 8.842 20.429 1.00 8.93 C ATOM 1321 O GLY A 86 12.537 9.865 19.804 1.00 15.03 O ATOM 1322 HA3 GLY A 86 13.160 7.373 21.709 1.00 0.00 H ATOM 1323 HA2 GLY A 86 12.920 6.835 20.030 1.00 0.00 H ATOM 1324 H GLY A 86 14.953 7.829 19.422 1.00 0.00 H ATOM 1325 N HIS A 87 11.001 8.657 20.894 1.00 11.92 N ATOM 1326 CA HIS A 87 9.984 9.667 20.776 1.00 13.18 C ATOM 1327 C HIS A 87 9.610 9.972 22.211 1.00 8.36 C ATOM 1328 O HIS A 87 9.003 9.127 22.884 1.00 12.76 O ATOM 1329 CB HIS A 87 8.783 9.118 20.021 1.00 12.71 C ATOM 1330 CG HIS A 87 7.728 10.207 19.827 1.00 10.84 C ATOM 1331 ND1 HIS A 87 7.793 11.283 19.044 1.00 16.17 N ATOM 1332 CD2 HIS A 87 6.543 10.244 20.513 1.00 11.90 C ATOM 1333 CE1 HIS A 87 6.693 11.981 19.247 1.00 10.11 C ATOM 1334 NE2 HIS A 87 5.957 11.333 20.120 1.00 16.02 N ATOM 1335 HA HIS A 87 10.321 10.548 20.230 1.00 0.00 H ATOM 1336 HB2 HIS A 87 9.108 8.755 19.046 1.00 0.00 H ATOM 1337 HB3 HIS A 87 8.349 8.294 20.588 1.00 0.00 H ATOM 1338 HD2 HIS A 87 6.172 9.515 21.234 1.00 0.00 H ATOM 1339 HE1 HIS A 87 6.439 12.929 18.773 1.00 0.00 H ATOM 1340 H HIS A 87 10.767 7.756 21.357 1.00 0.00 H ATOM 1341 N PRO A 88 9.957 11.157 22.713 1.00 20.43 N ATOM 1342 CA PRO A 88 9.857 11.525 24.124 1.00 40.00 C ATOM 1343 C PRO A 88 8.530 11.195 24.776 1.00 16.70 C ATOM 1344 O PRO A 88 7.461 11.464 24.228 1.00 31.15 O ATOM 1345 CB PRO A 88 10.101 13.013 24.098 1.00 47.23 C ATOM 1346 CG PRO A 88 9.769 13.445 22.687 1.00 43.23 C ATOM 1347 CD PRO A 88 10.394 12.300 21.918 1.00 45.60 C ATOM 1348 HA PRO A 88 10.565 10.958 24.729 1.00 0.00 H ATOM 1349 HD3 PRO A 88 10.013 12.247 20.898 1.00 0.00 H ATOM 1350 HD2 PRO A 88 11.481 12.379 21.895 1.00 0.00 H ATOM 1351 HG3 PRO A 88 10.228 14.401 22.436 1.00 0.00 H ATOM 1352 HG2 PRO A 88 8.693 13.505 22.523 1.00 0.00 H ATOM 1353 HB2 PRO A 88 9.455 13.519 24.815 1.00 0.00 H ATOM 1354 HB3 PRO A 88 11.143 13.234 24.331 1.00 0.00 H ATOM 1355 N GLY A 89 8.635 10.487 25.885 1.00 17.71 N ATOM 1356 CA GLY A 89 7.477 10.104 26.645 1.00 14.18 C ATOM 1357 C GLY A 89 6.884 8.800 26.184 1.00 19.36 C ATOM 1358 O GLY A 89 6.171 8.171 26.951 1.00 25.36 O ATOM 1359 HA3 GLY A 89 6.722 10.884 26.548 1.00 0.00 H ATOM 1360 HA2 GLY A 89 7.764 10.006 27.692 1.00 0.00 H ATOM 1361 H GLY A 89 9.578 10.200 26.217 1.00 0.00 H ATOM 1362 N ILE A 90 7.139 8.328 24.961 1.00 19.64 N ATOM 1363 CA ILE A 90 6.369 7.223 24.404 1.00 16.74 C ATOM 1364 C ILE A 90 7.332 6.117 23.957 1.00 14.30 C ATOM 1365 O ILE A 90 7.232 4.980 24.409 1.00 16.09 O ATOM 1366 CB ILE A 90 5.468 7.723 23.227 1.00 18.90 C ATOM 1367 CG1 ILE A 90 4.597 8.930 23.621 1.00 20.70 C ATOM 1368 CG2 ILE A 90 4.603 6.573 22.728 1.00 14.95 C ATOM 1369 CD1 ILE A 90 3.777 9.621 22.505 1.00 13.02 C ATOM 1370 HA ILE A 90 5.703 6.814 25.164 1.00 0.00 H ATOM 1371 HB ILE A 90 6.124 8.065 22.426 1.00 0.00 H ATOM 1372 HG12 ILE A 90 3.892 8.589 24.380 1.00 0.00 H ATOM 1373 HG13 ILE A 90 5.258 9.682 24.052 1.00 0.00 H ATOM 1374 HD11 ILE A 90 4.454 9.995 21.737 1.00 0.00 H ATOM 1375 HD12 ILE A 90 3.087 8.901 22.064 1.00 0.00 H ATOM 1376 HD13 ILE A 90 3.214 10.452 22.931 1.00 0.00 H ATOM 1377 HG21 ILE A 90 5.244 5.763 22.378 1.00 0.00 H ATOM 1378 HG22 ILE A 90 3.973 6.214 23.542 1.00 0.00 H ATOM 1379 HG23 ILE A 90 3.975 6.922 21.908 1.00 0.00 H ATOM 1380 H ILE A 90 7.900 8.756 24.396 1.00 0.00 H ATOM 1381 N ILE A 91 8.302 6.386 23.074 1.00 20.63 N ATOM 1382 CA ILE A 91 9.112 5.319 22.478 1.00 9.02 C ATOM 1383 C ILE A 91 10.518 5.518 23.031 1.00 10.99 C ATOM 1384 O ILE A 91 11.048 6.622 22.882 1.00 8.91 O ATOM 1385 CB ILE A 91 9.112 5.420 20.926 1.00 13.49 C ATOM 1386 CG1 ILE A 91 7.726 5.403 20.279 1.00 15.53 C ATOM 1387 CG2 ILE A 91 9.999 4.380 20.291 1.00 11.43 C ATOM 1388 CD1 ILE A 91 6.855 4.203 20.549 1.00 11.48 C ATOM 1389 HA ILE A 91 8.717 4.333 22.722 1.00 0.00 H ATOM 1390 HB ILE A 91 9.522 6.410 20.727 1.00 0.00 H ATOM 1391 HG12 ILE A 91 7.189 6.284 20.630 1.00 0.00 H ATOM 1392 HG13 ILE A 91 7.866 5.471 19.200 1.00 0.00 H ATOM 1393 HD11 ILE A 91 7.356 3.304 20.190 1.00 0.00 H ATOM 1394 HD12 ILE A 91 6.678 4.118 21.621 1.00 0.00 H ATOM 1395 HD13 ILE A 91 5.904 4.322 20.030 1.00 0.00 H ATOM 1396 HG21 ILE A 91 11.023 4.515 20.641 1.00 0.00 H ATOM 1397 HG22 ILE A 91 9.647 3.386 20.567 1.00 0.00 H ATOM 1398 HG23 ILE A 91 9.967 4.490 19.207 1.00 0.00 H ATOM 1399 H ILE A 91 8.485 7.374 22.805 1.00 0.00 H ATOM 1400 N PRO A 92 11.137 4.511 23.669 1.00 14.31 N ATOM 1401 CA PRO A 92 12.512 4.569 24.185 1.00 8.63 C ATOM 1402 C PRO A 92 13.561 4.595 23.054 1.00 11.44 C ATOM 1403 O PRO A 92 13.250 4.212 21.910 1.00 9.68 O ATOM 1404 CB PRO A 92 12.640 3.226 24.953 1.00 13.25 C ATOM 1405 CG PRO A 92 11.294 2.557 24.973 1.00 14.48 C ATOM 1406 CD PRO A 92 10.605 3.142 23.767 1.00 23.63 C ATOM 1407 HA PRO A 92 12.687 5.465 24.780 1.00 0.00 H ATOM 1408 HD3 PRO A 92 10.844 2.570 22.871 1.00 0.00 H ATOM 1409 HD2 PRO A 92 9.524 3.157 23.909 1.00 0.00 H ATOM 1410 HG3 PRO A 92 10.752 2.795 25.888 1.00 0.00 H ATOM 1411 HG2 PRO A 92 11.393 1.475 24.882 1.00 0.00 H ATOM 1412 HB2 PRO A 92 13.363 2.583 24.451 1.00 0.00 H ATOM 1413 HB3 PRO A 92 12.972 3.416 25.974 1.00 0.00 H ATOM 1414 N PRO A 93 14.827 4.991 23.322 1.00 17.49 N ATOM 1415 CA PRO A 93 15.940 4.825 22.401 1.00 10.43 C ATOM 1416 C PRO A 93 16.043 3.372 21.956 1.00 8.59 C ATOM 1417 O PRO A 93 15.801 2.417 22.705 1.00 9.95 O ATOM 1418 CB PRO A 93 17.138 5.192 23.264 1.00 9.89 C ATOM 1419 CG PRO A 93 16.617 6.269 24.167 1.00 12.29 C ATOM 1420 CD PRO A 93 15.290 5.628 24.560 1.00 16.81 C ATOM 1421 HA PRO A 93 15.850 5.423 21.494 1.00 0.00 H ATOM 1422 HD3 PRO A 93 15.434 4.888 25.347 1.00 0.00 H ATOM 1423 HD2 PRO A 93 14.579 6.382 24.898 1.00 0.00 H ATOM 1424 HG3 PRO A 93 16.475 7.212 23.640 1.00 0.00 H ATOM 1425 HG2 PRO A 93 17.265 6.430 25.029 1.00 0.00 H ATOM 1426 HB2 PRO A 93 17.478 4.332 23.842 1.00 0.00 H ATOM 1427 HB3 PRO A 93 17.959 5.564 22.651 1.00 0.00 H ATOM 1428 N HIS A 94 16.398 3.247 20.674 1.00 7.49 N ATOM 1429 CA HIS A 94 16.720 1.961 20.078 1.00 11.47 C ATOM 1430 C HIS A 94 15.547 0.984 20.149 1.00 10.68 C ATOM 1431 O HIS A 94 15.782 -0.213 20.308 1.00 12.00 O ATOM 1432 CB HIS A 94 17.976 1.374 20.767 1.00 13.33 C ATOM 1433 CG HIS A 94 18.600 0.239 19.990 1.00 12.75 C ATOM 1434 ND1 HIS A 94 18.608 -1.059 20.281 1.00 23.48 N ATOM 1435 CD2 HIS A 94 19.281 0.418 18.810 1.00 20.24 C ATOM 1436 CE1 HIS A 94 19.282 -1.681 19.339 1.00 16.30 C ATOM 1437 NE2 HIS A 94 19.679 -0.778 18.464 1.00 28.26 N ATOM 1438 HA HIS A 94 16.929 2.118 19.020 1.00 0.00 H ATOM 1439 HB2 HIS A 94 18.715 2.168 20.877 1.00 0.00 H ATOM 1440 HB3 HIS A 94 17.691 1.005 21.753 1.00 0.00 H ATOM 1441 HD2 HIS A 94 19.452 1.354 18.278 1.00 0.00 H ATOM 1442 HE1 HIS A 94 19.478 -2.752 19.290 1.00 0.00 H ATOM 1443 H HIS A 94 16.446 4.100 20.081 1.00 0.00 H ATOM 1444 N ALA A 95 14.295 1.424 19.985 1.00 5.88 N ATOM 1445 CA ALA A 95 13.196 0.485 19.964 1.00 6.75 C ATOM 1446 C ALA A 95 12.853 0.009 18.548 1.00 16.10 C ATOM 1447 O ALA A 95 12.811 0.800 17.590 1.00 13.72 O ATOM 1448 CB ALA A 95 11.935 1.098 20.567 1.00 7.08 C ATOM 1449 HA ALA A 95 13.530 -0.367 20.556 1.00 0.00 H ATOM 1450 HB1 ALA A 95 12.130 1.383 21.601 1.00 0.00 H ATOM 1451 HB2 ALA A 95 11.651 1.980 19.993 1.00 0.00 H ATOM 1452 HB3 ALA A 95 11.127 0.367 20.537 1.00 0.00 H ATOM 1453 H ALA A 95 14.112 2.442 19.873 1.00 0.00 H ATOM 1454 N THR A 96 12.679 -1.316 18.404 1.00 11.69 N ATOM 1455 CA THR A 96 12.098 -1.931 17.217 1.00 10.07 C ATOM 1456 C THR A 96 10.557 -1.838 17.339 1.00 7.93 C ATOM 1457 O THR A 96 9.998 -2.132 18.406 1.00 13.22 O ATOM 1458 CB THR A 96 12.599 -3.419 17.057 1.00 15.74 C ATOM 1459 OG1 THR A 96 14.021 -3.381 16.899 1.00 14.12 O ATOM 1460 CG2 THR A 96 11.974 -4.155 15.861 1.00 11.48 C ATOM 1461 HA THR A 96 12.416 -1.406 16.316 1.00 0.00 H ATOM 1462 HB THR A 96 12.295 -3.973 17.945 1.00 0.00 H ATOM 1463 HG1 THR A 96 14.430 -2.962 17.698 1.00 0.00 H ATOM 1464 HG23 THR A 96 10.891 -4.185 15.980 1.00 0.00 H ATOM 1465 HG21 THR A 96 12.225 -3.628 14.940 1.00 0.00 H ATOM 1466 HG22 THR A 96 12.364 -5.172 15.818 1.00 0.00 H ATOM 1467 H THR A 96 12.976 -1.937 19.183 1.00 0.00 H ATOM 1468 N LEU A 97 9.866 -1.408 16.273 1.00 11.13 N ATOM 1469 CA LEU A 97 8.430 -1.167 16.316 1.00 12.13 C ATOM 1470 C LEU A 97 7.766 -2.178 15.408 1.00 8.98 C ATOM 1471 O LEU A 97 8.268 -2.498 14.331 1.00 7.48 O ATOM 1472 CB LEU A 97 8.035 0.267 15.842 1.00 5.98 C ATOM 1473 CG LEU A 97 8.713 1.455 16.513 1.00 14.61 C ATOM 1474 CD1 LEU A 97 8.154 2.783 15.998 1.00 10.49 C ATOM 1475 CD2 LEU A 97 8.609 1.342 18.027 1.00 10.50 C ATOM 1476 HA LEU A 97 8.104 -1.261 17.352 1.00 0.00 H ATOM 1477 HB2 LEU A 97 8.254 0.328 14.776 1.00 0.00 H ATOM 1478 HB3 LEU A 97 6.962 0.376 15.998 1.00 0.00 H ATOM 1479 HG LEU A 97 9.771 1.438 16.251 1.00 0.00 H ATOM 1480 HD21 LEU A 97 7.559 1.322 18.317 1.00 0.00 H ATOM 1481 HD22 LEU A 97 9.095 0.424 18.356 1.00 0.00 H ATOM 1482 HD23 LEU A 97 9.099 2.199 18.489 1.00 0.00 H ATOM 1483 HD11 LEU A 97 8.319 2.853 14.923 1.00 0.00 H ATOM 1484 HD12 LEU A 97 7.085 2.831 16.207 1.00 0.00 H ATOM 1485 HD13 LEU A 97 8.661 3.608 16.499 1.00 0.00 H ATOM 1486 H LEU A 97 10.375 -1.240 15.382 1.00 0.00 H ATOM 1487 N VAL A 98 6.635 -2.694 15.854 1.00 9.66 N ATOM 1488 CA VAL A 98 5.812 -3.488 14.970 1.00 9.32 C ATOM 1489 C VAL A 98 4.443 -2.824 14.832 1.00 8.48 C ATOM 1490 O VAL A 98 3.830 -2.387 15.800 1.00 8.62 O ATOM 1491 CB VAL A 98 5.780 -5.019 15.309 1.00 9.81 C ATOM 1492 CG1 VAL A 98 7.134 -5.518 15.794 1.00 2.00 C ATOM 1493 CG2 VAL A 98 4.687 -5.488 16.208 1.00 14.46 C ATOM 1494 HA VAL A 98 6.276 -3.498 13.984 1.00 0.00 H ATOM 1495 HB VAL A 98 5.539 -5.474 14.348 1.00 0.00 H ATOM 1496 HG11 VAL A 98 7.880 -5.354 15.016 1.00 0.00 H ATOM 1497 HG12 VAL A 98 7.420 -4.973 16.694 1.00 0.00 H ATOM 1498 HG13 VAL A 98 7.068 -6.583 16.018 1.00 0.00 H ATOM 1499 HG21 VAL A 98 4.762 -4.975 17.167 1.00 0.00 H ATOM 1500 HG22 VAL A 98 3.722 -5.267 15.751 1.00 0.00 H ATOM 1501 HG23 VAL A 98 4.780 -6.563 16.361 1.00 0.00 H ATOM 1502 H VAL A 98 6.338 -2.530 16.837 1.00 0.00 H ATOM 1503 N PHE A 99 4.039 -2.628 13.579 1.00 12.47 N ATOM 1504 CA PHE A 99 2.739 -2.065 13.257 1.00 11.83 C ATOM 1505 C PHE A 99 1.895 -3.058 12.471 1.00 11.96 C ATOM 1506 O PHE A 99 2.383 -3.742 11.569 1.00 14.60 O ATOM 1507 CB PHE A 99 2.843 -0.764 12.443 1.00 9.84 C ATOM 1508 CG PHE A 99 3.321 0.444 13.238 1.00 12.64 C ATOM 1509 CD1 PHE A 99 4.687 0.685 13.377 1.00 11.18 C ATOM 1510 CD2 PHE A 99 2.387 1.353 13.754 1.00 9.23 C ATOM 1511 CE1 PHE A 99 5.118 1.852 13.988 1.00 9.63 C ATOM 1512 CE2 PHE A 99 2.841 2.499 14.372 1.00 8.47 C ATOM 1513 CZ PHE A 99 4.197 2.754 14.488 1.00 10.83 C ATOM 1514 HA PHE A 99 2.266 -1.840 14.213 1.00 0.00 H ATOM 1515 HB2 PHE A 99 3.542 -0.930 11.623 1.00 0.00 H ATOM 1516 HB3 PHE A 99 1.857 -0.536 12.038 1.00 0.00 H ATOM 1517 HD2 PHE A 99 1.318 1.157 13.668 1.00 0.00 H ATOM 1518 HE2 PHE A 99 2.123 3.214 14.774 1.00 0.00 H ATOM 1519 HZ PHE A 99 4.539 3.668 14.974 1.00 0.00 H ATOM 1520 HE1 PHE A 99 6.185 2.059 14.074 1.00 0.00 H ATOM 1521 HD1 PHE A 99 5.412 -0.040 13.007 1.00 0.00 H ATOM 1522 H PHE A 99 4.678 -2.888 12.801 1.00 0.00 H ATOM 1523 N ASP A 100 0.614 -3.105 12.792 1.00 6.70 N ATOM 1524 CA ASP A 100 -0.379 -3.770 11.956 1.00 7.98 C ATOM 1525 C ASP A 100 -1.039 -2.659 11.134 1.00 7.35 C ATOM 1526 O ASP A 100 -1.632 -1.764 11.724 1.00 12.17 O ATOM 1527 CB ASP A 100 -1.324 -4.481 12.930 1.00 10.14 C ATOM 1528 CG ASP A 100 -2.605 -5.090 12.425 1.00 9.95 C ATOM 1529 OD1 ASP A 100 -2.950 -4.951 11.258 1.00 11.11 O ATOM 1530 OD2 ASP A 100 -3.285 -5.677 13.249 1.00 15.34 O ATOM 1531 HA ASP A 100 0.002 -4.515 11.258 1.00 0.00 H ATOM 1532 HB2 ASP A 100 -0.753 -5.286 13.392 1.00 0.00 H ATOM 1533 HB3 ASP A 100 -1.601 -3.751 13.690 1.00 0.00 H ATOM 1534 H ASP A 100 0.302 -2.651 13.674 1.00 0.00 H ATOM 1535 N VAL A 101 -0.931 -2.646 9.808 1.00 5.55 N ATOM 1536 CA VAL A 101 -1.390 -1.566 8.975 1.00 7.61 C ATOM 1537 C VAL A 101 -2.294 -2.156 7.914 1.00 8.52 C ATOM 1538 O VAL A 101 -1.958 -3.138 7.247 1.00 9.25 O ATOM 1539 CB VAL A 101 -0.219 -0.822 8.287 1.00 7.15 C ATOM 1540 CG1 VAL A 101 -0.756 0.324 7.443 1.00 15.13 C ATOM 1541 CG2 VAL A 101 0.747 -0.254 9.298 1.00 7.68 C ATOM 1542 HA VAL A 101 -1.915 -0.841 9.597 1.00 0.00 H ATOM 1543 HB VAL A 101 0.304 -1.546 7.663 1.00 0.00 H ATOM 1544 HG11 VAL A 101 -1.428 -0.071 6.681 1.00 0.00 H ATOM 1545 HG12 VAL A 101 -1.299 1.021 8.082 1.00 0.00 H ATOM 1546 HG13 VAL A 101 0.075 0.841 6.963 1.00 0.00 H ATOM 1547 HG21 VAL A 101 0.223 0.450 9.944 1.00 0.00 H ATOM 1548 HG22 VAL A 101 1.159 -1.064 9.900 1.00 0.00 H ATOM 1549 HG23 VAL A 101 1.555 0.261 8.778 1.00 0.00 H ATOM 1550 H VAL A 101 -0.488 -3.466 9.346 1.00 0.00 H ATOM 1551 N GLU A 102 -3.461 -1.547 7.760 1.00 7.96 N ATOM 1552 CA GLU A 102 -4.403 -1.955 6.737 1.00 9.92 C ATOM 1553 C GLU A 102 -4.604 -0.785 5.781 1.00 13.06 C ATOM 1554 O GLU A 102 -5.052 0.294 6.203 1.00 12.50 O ATOM 1555 CB GLU A 102 -5.695 -2.390 7.379 1.00 5.36 C ATOM 1556 CG GLU A 102 -6.606 -2.921 6.277 1.00 13.32 C ATOM 1557 CD GLU A 102 -8.027 -3.374 6.662 1.00 26.98 C ATOM 1558 OE1 GLU A 102 -8.444 -3.183 7.801 1.00 18.82 O ATOM 1559 OE2 GLU A 102 -8.726 -3.911 5.797 1.00 35.49 O ATOM 1560 HA GLU A 102 -4.023 -2.806 6.172 1.00 0.00 H ATOM 1561 HB2 GLU A 102 -5.501 -3.175 8.110 1.00 0.00 H ATOM 1562 HB3 GLU A 102 -6.167 -1.542 7.875 1.00 0.00 H ATOM 1563 HG2 GLU A 102 -6.709 -2.131 5.534 1.00 0.00 H ATOM 1564 HG3 GLU A 102 -6.104 -3.778 5.827 1.00 0.00 H ATOM 1565 H GLU A 102 -3.707 -0.756 8.389 1.00 0.00 H ATOM 1566 N LEU A 103 -4.264 -0.934 4.499 1.00 10.24 N ATOM 1567 CA LEU A 103 -4.412 0.162 3.545 1.00 17.35 C ATOM 1568 C LEU A 103 -5.842 0.131 2.996 1.00 16.77 C ATOM 1569 O LEU A 103 -6.218 -0.674 2.131 1.00 10.58 O ATOM 1570 CB LEU A 103 -3.383 0.101 2.396 1.00 6.83 C ATOM 1571 CG LEU A 103 -3.420 1.173 1.322 1.00 6.78 C ATOM 1572 CD1 LEU A 103 -3.355 2.593 1.903 1.00 9.81 C ATOM 1573 CD2 LEU A 103 -2.305 0.884 0.336 1.00 7.93 C ATOM 1574 HA LEU A 103 -4.220 1.100 4.066 1.00 0.00 H ATOM 1575 HB2 LEU A 103 -2.393 0.137 2.850 1.00 0.00 H ATOM 1576 HB3 LEU A 103 -3.517 -0.858 1.896 1.00 0.00 H ATOM 1577 HG LEU A 103 -4.377 1.140 0.802 1.00 0.00 H ATOM 1578 HD21 LEU A 103 -1.347 0.903 0.856 1.00 0.00 H ATOM 1579 HD22 LEU A 103 -2.459 -0.100 -0.107 1.00 0.00 H ATOM 1580 HD23 LEU A 103 -2.309 1.641 -0.448 1.00 0.00 H ATOM 1581 HD11 LEU A 103 -4.206 2.752 2.566 1.00 0.00 H ATOM 1582 HD12 LEU A 103 -2.428 2.712 2.464 1.00 0.00 H ATOM 1583 HD13 LEU A 103 -3.385 3.319 1.090 1.00 0.00 H ATOM 1584 H LEU A 103 -3.887 -1.847 4.173 1.00 0.00 H ATOM 1585 N LEU A 104 -6.632 1.054 3.534 1.00 12.27 N ATOM 1586 CA LEU A 104 -8.049 1.135 3.206 1.00 19.13 C ATOM 1587 C LEU A 104 -8.359 1.714 1.814 1.00 26.84 C ATOM 1588 O LEU A 104 -9.183 1.175 1.064 1.00 20.98 O ATOM 1589 CB LEU A 104 -8.760 1.959 4.286 1.00 11.01 C ATOM 1590 CG LEU A 104 -8.697 1.550 5.741 1.00 13.52 C ATOM 1591 CD1 LEU A 104 -9.264 2.663 6.620 1.00 15.82 C ATOM 1592 CD2 LEU A 104 -9.395 0.223 5.923 1.00 17.08 C ATOM 1593 HA LEU A 104 -8.417 0.109 3.176 1.00 0.00 H ATOM 1594 HB2 LEU A 104 -8.349 2.967 4.228 1.00 0.00 H ATOM 1595 HB3 LEU A 104 -9.816 1.982 4.015 1.00 0.00 H ATOM 1596 HG LEU A 104 -7.663 1.408 6.055 1.00 0.00 H ATOM 1597 HD21 LEU A 104 -10.437 0.317 5.617 1.00 0.00 H ATOM 1598 HD22 LEU A 104 -8.902 -0.532 5.311 1.00 0.00 H ATOM 1599 HD23 LEU A 104 -9.348 -0.070 6.972 1.00 0.00 H ATOM 1600 HD11 LEU A 104 -8.679 3.571 6.476 1.00 0.00 H ATOM 1601 HD12 LEU A 104 -10.302 2.850 6.343 1.00 0.00 H ATOM 1602 HD13 LEU A 104 -9.214 2.359 7.666 1.00 0.00 H ATOM 1603 H LEU A 104 -6.228 1.736 4.207 1.00 0.00 H ATOM 1604 N LYS A 105 -7.714 2.825 1.437 1.00 17.27 N ATOM 1605 CA LYS A 105 -8.164 3.660 0.330 1.00 22.31 C ATOM 1606 C LYS A 105 -7.044 4.641 0.029 1.00 15.60 C ATOM 1607 O LYS A 105 -6.223 4.973 0.895 1.00 15.20 O ATOM 1608 CB LYS A 105 -9.399 4.418 0.867 1.00 19.05 C ATOM 1609 CG LYS A 105 -10.040 5.538 0.110 1.00 31.96 C ATOM 1610 CD LYS A 105 -11.223 5.999 0.948 1.00 34.16 C ATOM 1611 CE LYS A 105 -12.030 7.009 0.125 1.00 71.57 C ATOM 1612 NZ LYS A 105 -13.268 7.398 0.781 1.00 74.94 N ATOM 1613 HA LYS A 105 -8.409 3.100 -0.573 1.00 0.00 H ATOM 1614 HB2 LYS A 105 -10.176 3.668 1.015 1.00 0.00 H ATOM 1615 HB3 LYS A 105 -9.106 4.832 1.832 1.00 0.00 H ATOM 1616 HG2 LYS A 105 -9.332 6.356 -0.026 1.00 0.00 H ATOM 1617 HG3 LYS A 105 -10.381 5.189 -0.865 1.00 0.00 H ATOM 1618 HD2 LYS A 105 -11.850 5.145 1.202 1.00 0.00 H ATOM 1619 HD3 LYS A 105 -10.865 6.471 1.863 1.00 0.00 H ATOM 1620 HE2 LYS A 105 -12.270 6.562 -0.840 1.00 0.00 H ATOM 1621 HE3 LYS A 105 -11.421 7.900 -0.030 1.00 0.00 H ATOM 1622 HZ1 LYS A 105 -13.861 6.556 0.927 1.00 0.00 H ATOM 1623 HZ2 LYS A 105 -13.050 7.834 1.700 1.00 0.00 H ATOM 1624 HZ3 LYS A 105 -13.776 8.081 0.184 1.00 0.00 H ATOM 1625 H LYS A 105 -6.857 3.104 1.955 1.00 0.00 H ATOM 1626 N LEU A 106 -7.008 5.096 -1.213 1.00 14.99 N ATOM 1627 CA LEU A 106 -6.121 6.152 -1.629 1.00 11.65 C ATOM 1628 C LEU A 106 -6.996 7.338 -2.035 1.00 14.03 C ATOM 1629 O LEU A 106 -8.065 7.137 -2.605 1.00 28.26 O ATOM 1630 CB LEU A 106 -5.295 5.656 -2.810 1.00 18.89 C ATOM 1631 CG LEU A 106 -4.296 4.535 -2.575 1.00 13.45 C ATOM 1632 CD1 LEU A 106 -3.659 4.162 -3.895 1.00 18.28 C ATOM 1633 CD2 LEU A 106 -3.206 4.994 -1.580 1.00 27.57 C ATOM 1634 HA LEU A 106 -5.438 6.451 -0.834 1.00 0.00 H ATOM 1635 HB2 LEU A 106 -5.995 5.310 -3.570 1.00 0.00 H ATOM 1636 HB3 LEU A 106 -4.737 6.510 -3.194 1.00 0.00 H ATOM 1637 HG LEU A 106 -4.810 3.671 -2.154 1.00 0.00 H ATOM 1638 HD21 LEU A 106 -2.684 5.859 -1.989 1.00 0.00 H ATOM 1639 HD22 LEU A 106 -3.671 5.263 -0.632 1.00 0.00 H ATOM 1640 HD23 LEU A 106 -2.497 4.182 -1.420 1.00 0.00 H ATOM 1641 HD11 LEU A 106 -4.431 3.829 -4.588 1.00 0.00 H ATOM 1642 HD12 LEU A 106 -3.148 5.031 -4.309 1.00 0.00 H ATOM 1643 HD13 LEU A 106 -2.940 3.358 -3.736 1.00 0.00 H ATOM 1644 H LEU A 106 -7.646 4.674 -1.918 1.00 0.00 H ATOM 1645 N GLU A 107 -6.585 8.553 -1.697 1.00 20.68 N ATOM 1646 CA GLU A 107 -7.208 9.779 -2.162 1.00 17.07 C ATOM 1647 C GLU A 107 -6.108 10.687 -2.745 1.00 21.33 C ATOM 1648 O GLU A 107 -4.930 10.316 -2.752 1.00 47.95 O ATOM 1649 CB GLU A 107 -7.864 10.477 -1.003 1.00 24.97 C ATOM 1650 CG GLU A 107 -8.835 9.575 -0.288 1.00 20.19 C ATOM 1651 CD GLU A 107 -9.421 10.133 0.990 1.00 30.01 C ATOM 1652 OE1 GLU A 107 -8.949 11.142 1.525 1.00 31.02 O ATOM 1653 OE2 GLU A 107 -10.372 9.522 1.466 1.00 46.48 O ATOM 1654 HA GLU A 107 -7.959 9.557 -2.920 1.00 0.00 H ATOM 1655 OXT GLU A 107 -6.431 11.768 -3.232 1.00 62.18 O ATOM 1656 HB2 GLU A 107 -7.094 10.796 -0.300 1.00 0.00 H ATOM 1657 HB3 GLU A 107 -8.400 11.351 -1.374 1.00 0.00 H ATOM 1658 HG2 GLU A 107 -9.658 9.360 -0.969 1.00 0.00 H ATOM 1659 HG3 GLU A 107 -8.316 8.648 -0.043 1.00 0.00 H ATOM 1660 H GLU A 107 -5.767 8.632 -1.060 1.00 0.00 H TER 1661 GLU A 107 HETATM 1662 O HOH 1 13.711 4.614 19.317 1.00 10.44 O HETATM 1663 O HOH 2 12.370 3.552 17.185 1.00 10.27 O HETATM 1664 O HOH 3 -1.241 -8.284 -1.434 1.00 12.23 O HETATM 1665 O HOH 4 7.154 -7.826 9.801 1.00 13.23 O HETATM 1666 O HOH 5 14.014 -2.120 4.238 1.00 21.56 O HETATM 1667 O HOH 6 12.989 -4.988 10.267 1.00 14.72 O HETATM 1668 O HOH 7 14.742 0.139 23.855 1.00 20.97 O HETATM 1669 O HOH 8 -4.908 -2.760 13.811 1.00 20.45 O HETATM 1670 O HOH 9 3.308 -6.273 -0.446 1.00 19.05 O HETATM 1671 O HOH 10 15.723 -2.951 18.984 1.00 19.73 O HETATM 1672 O HOH 11 -4.683 -2.710 10.979 1.00 21.45 O HETATM 1673 O HOH 12 9.150 0.338 -0.871 1.00 21.75 O HETATM 1674 O HOH 13 12.319 7.586 10.611 1.00 16.22 O HETATM 1675 O HOH 14 4.956 11.211 4.410 1.00 20.92 O HETATM 1676 O HOH 15 0.223 -6.141 -2.826 1.00 19.78 O HETATM 1677 O HOH 16 4.496 2.494 -4.547 1.00 22.55 O HETATM 1678 O HOH 17 -8.981 15.116 13.622 1.00 29.61 O HETATM 1679 O HOH 18 -2.561 8.843 18.364 1.00 9.74 O HETATM 1680 O HOH 19 0.579 7.596 21.102 1.00 21.64 O HETATM 1681 O HOH 20 -1.361 15.053 5.335 1.00 27.18 O HETATM 1682 O HOH 21 9.868 12.384 17.361 1.00 26.41 O HETATM 1683 O HOH 22 13.021 -3.084 20.746 1.00 25.47 O HETATM 1684 O HOH 23 13.147 -6.244 19.809 1.00 33.69 O HETATM 1685 O HOH 24 19.691 7.330 15.401 1.00 34.12 O HETATM 1686 O HOH 25 4.131 -12.241 3.833 1.00 29.31 O HETATM 1687 O HOH 26 10.563 10.031 7.095 1.00 34.36 O HETATM 1688 O HOH 27 19.240 3.723 15.306 1.00 30.14 O HETATM 1689 O HOH 28 -7.944 -8.631 7.452 1.00 26.11 O HETATM 1690 O HOH 29 9.738 -7.426 3.673 1.00 29.04 O HETATM 1691 O HOH 30 19.287 3.331 18.119 1.00 29.46 O HETATM 1692 O HOH 31 15.311 -2.532 22.773 1.00 18.35 O HETATM 1693 O HOH 32 12.602 -7.831 10.522 1.00 26.37 O HETATM 1694 O HOH 33 20.311 7.632 23.452 1.00 32.87 O HETATM 1695 O HOH 34 -8.290 -6.594 13.906 1.00 37.66 O HETATM 1696 O HOH 35 6.000 -7.155 0.752 1.00 36.79 O HETATM 1697 O HOH 36 11.712 8.562 25.025 1.00 37.93 O HETATM 1698 O HOH 37 6.408 17.304 7.663 1.00 42.88 O HETATM 1699 O HOH 38 8.316 5.712 -0.315 1.00 35.11 O HETATM 1700 O HOH 39 -8.695 3.719 -3.268 1.00 27.28 O HETATM 1701 O HOH 40 -6.139 -2.153 17.988 1.00 28.45 O HETATM 1702 O HOH 41 0.610 -9.863 -0.440 1.00 38.91 O HETATM 1703 O HOH 42 15.715 9.985 24.770 1.00 42.21 O HETATM 1704 O HOH 43 -0.495 1.447 -8.979 1.00 30.72 O HETATM 1705 O HOH 44 4.285 -9.238 1.709 1.00 37.55 O HETATM 1706 O HOH 45 -11.723 -0.712 23.869 1.00 40.86 O HETATM 1707 O HOH 46 11.488 -3.074 2.350 1.00 41.01 O HETATM 1708 O HOH 47 15.120 7.199 9.581 1.00 20.76 O HETATM 1709 O HOH 48 9.795 11.399 -2.302 1.00 37.75 O HETATM 1710 O HOH 49 -8.735 -4.901 -2.370 1.00 33.79 O HETATM 1711 O HOH 50 -0.568 -3.277 25.728 1.00 51.27 O HETATM 1712 O HOH 51 19.373 8.856 25.776 1.00 38.05 O HETATM 1713 O HOH 52 -2.602 -9.850 -3.927 1.00 43.85 O HETATM 1714 O HOH 53 0.050 -14.393 2.288 1.00 40.23 O HETATM 1715 O HOH 54 1.610 -14.281 5.871 1.00 37.91 O HETATM 1716 O HOH 55 5.428 -14.217 6.653 1.00 37.24 O HETATM 1717 O HOH 56 -9.314 -2.214 -5.662 1.00 34.97 O HETATM 1718 O HOH 57 -2.162 4.552 -7.445 1.00 44.53 O HETATM 1719 O HOH 58 -7.983 -6.626 5.079 1.00 38.42 O HETATM 1720 O HOH 59 21.106 -2.754 16.088 1.00 44.40 O HETATM 1721 O HOH 60 8.565 -10.372 3.861 1.00 49.24 O HETATM 1722 O HOH 61 -8.100 -8.798 1.688 1.00 45.19 O HETATM 1723 O HOH 62 9.799 3.505 -1.518 1.00 39.70 O HETATM 1724 O HOH 63 0.503 -4.780 -10.227 1.00 41.96 O HETATM 1725 O HOH 64 19.059 -0.774 13.939 1.00 46.58 O HETATM 1726 O HOH 65 4.165 -11.485 2.776 1.00 46.57 O HETATM 1727 O HOH 66 6.724 -9.652 16.834 1.00 43.11 O HETATM 1728 O HOH 67 8.449 20.615 10.147 1.00 52.53 O HETATM 1729 O HOH 68 -6.246 8.458 13.805 1.00 43.67 O HETATM 1730 O HOH 69 18.565 -0.788 8.535 1.00 25.28 O HETATM 1731 O HOH 70 12.524 14.156 15.048 1.00 50.62 O HETATM 1732 O HOH 71 -7.361 4.286 -6.120 1.00 45.92 O HETATM 1733 O HOH 72 9.084 8.193 30.107 1.00 50.62 O HETATM 1734 O HOH 73 5.353 7.074 -7.617 1.00 45.14 O HETATM 1735 O HOH 74 7.071 14.671 -2.213 1.00 44.31 O HETATM 1736 O HOH 75 11.390 -5.548 2.903 1.00 45.24 O HETATM 1737 O HOH 76 3.705 -11.294 15.714 1.00 62.78 O HETATM 1738 O HOH 77 6.290 -12.577 11.834 1.00 63.29 O HETATM 1739 O HOH 78 15.724 7.740 12.569 1.00 43.78 O HETATM 1740 O HOH 79 15.320 3.814 -0.109 1.00 46.69 O HETATM 1741 O HOH 80 11.066 12.165 14.148 1.00 52.26 O HETATM 1742 O HOH 81 -2.305 13.015 10.396 1.00 48.40 O HETATM 1743 O HOH 82 10.289 15.215 2.271 1.00 49.99 O HETATM 1744 O HOH 83 -14.194 -3.824 4.927 1.00 46.37 O HETATM 1745 O HOH 84 15.576 -4.385 14.703 1.00 56.00 O HETATM 1746 O HOH 85 -4.948 11.515 9.936 1.00 45.07 O HETATM 1747 O HOH 86 11.767 -6.802 23.315 1.00 45.81 O HETATM 1748 O HOH 87 19.013 11.621 24.860 1.00 66.21 O HETATM 1749 O HOH 88 12.529 17.914 12.306 1.00 50.92 O HETATM 1750 O HOH 89 4.616 20.134 7.429 1.00 56.06 O HETATM 1751 O HOH 90 11.720 10.374 28.067 1.00 49.39 O HETATM 1752 O HOH 91 21.956 9.297 22.399 1.00 61.45 O HETATM 1753 O HOH 92 3.813 -10.487 21.876 1.00 60.11 O HETATM 1754 O HOH 93 -10.177 -5.766 1.941 1.00 47.46 O HETATM 1755 O HOH 94 12.912 11.341 17.471 1.00 29.24 O HETATM 1756 O HOH 95 -13.247 13.956 10.938 1.00 53.33 O HETATM 1757 O HOH 96 2.516 -14.263 2.186 1.00 45.69 O HETATM 1758 O HOH 97 11.923 -9.286 21.896 1.00 45.91 O HETATM 1759 O HOH 98 -5.617 14.450 1.733 1.00 50.10 O HETATM 1760 O HOH 99 13.176 -7.604 14.206 1.00 41.46 O HETATM 1761 O HOH 100 -5.817 10.729 11.860 1.00 44.20 O HETATM 1762 O HOH 101 2.093 -13.180 -0.045 1.00 49.74 O HETATM 1763 O HOH 102 11.679 -0.994 23.351 1.00 46.69 O HETATM 1764 O HOH 103 12.019 19.146 9.856 1.00 48.55 O HETATM 1765 O HOH 104 2.351 20.217 6.237 1.00 55.30 O HETATM 1766 O HOH 105 -0.468 -8.897 -8.871 1.00 43.26 O HETATM 1767 O HOH 106 12.074 6.391 1.989 1.00 42.25 O HETATM 1768 O HOH 107 -10.022 -8.902 11.765 1.00 59.16 O HETATM 1769 O HOH 108 17.246 5.567 7.897 1.00 72.72 O HETATM 1770 O HOH 109 10.220 -8.740 26.275 1.00 48.13 O HETATM 1771 O HOH 110 5.332 3.455 25.799 1.00 49.45 O HETATM 1772 O HOH 111 -14.447 -4.763 15.812 1.00 49.47 O HETATM 1773 O HOH 112 -11.952 -7.785 3.937 1.00 48.74 O HETATM 1774 O HOH 113 11.239 -2.520 21.226 1.00 41.21 O HETATM 1775 O HOH 114 19.871 7.101 2.737 1.00 54.57 O HETATM 1776 O HOH 115 -9.253 8.067 22.611 1.00 71.92 O HETATM 1777 O HOH 116 14.762 -9.286 11.495 1.00 54.93 O HETATM 1778 O HOH 117 8.516 18.025 4.379 1.00 53.38 O HETATM 1779 O HOH 118 13.793 -1.543 0.127 1.00 49.81 O HETATM 1780 O HOH 119 -12.297 6.615 5.037 1.00 48.14 O HETATM 1781 O HOH 120 11.923 8.740 4.379 1.00 46.89 O HETATM 1782 O HOH 121 10.123 -6.243 0.055 1.00 49.94 O HETATM 1783 O HOH 122 -10.759 -8.925 9.485 1.00 68.01 O HETATM 1784 O HOH 123 -10.487 14.161 -0.107 1.00 46.65 O HETATM 1785 O HOH 124 3.196 18.042 4.596 1.00 59.09 O HETATM 1786 O HOH 125 11.610 -14.657 3.936 1.00 80.48 O HETATM 1787 O HOH 126 12.491 -0.546 2.190 1.00 47.59 O HETATM 1788 O HOH 127 10.787 7.101 0.000 1.00 49.42 O HETATM 1789 O HOH 128 -9.426 -6.421 8.886 1.00 47.03 O HETATM 1790 O HOH 129 11.923 0.546 -0.547 1.00 45.99 O HETATM 1791 O HOH 130 -2.327 14.131 7.962 1.00 52.95 O HETATM 1792 O HOH 131 14.190 8.846 3.456 1.00 52.74 O HETATM 1793 O HOH 132 1.142 1.871 26.400 1.00 45.02 O HETATM 1794 O HOH 133 -10.179 -5.869 12.400 1.00 80.37 O HETATM 1795 C1 RAP A 134 4.633 8.500 12.847 1.00 0.26 C HETATM 1796 O2 RAP A 134 5.367 8.726 11.888 1.00 -0.37 O HETATM 1797 C2 RAP A 134 4.177 7.070 13.135 1.00 0.15 C HETATM 1798 C3 RAP A 134 3.720 6.374 11.862 1.00 -0.01 C HETATM 1799 C4 RAP A 134 2.354 6.832 11.372 1.00 -0.05 C HETATM 1800 C5 RAP A 134 1.360 6.653 12.505 1.00 -0.03 C HETATM 1801 C6 RAP A 134 1.783 7.430 13.713 1.00 0.04 C HETATM 1802 N7 RAP A 134 3.105 6.934 14.127 1.00 -0.24 N HETATM 1803 C8 RAP A 134 3.385 6.549 15.382 1.00 0.28 C HETATM 1804 O3 RAP A 134 4.552 6.237 15.654 1.00 -0.36 O HETATM 1805 C9 RAP A 134 2.397 6.409 16.381 1.00 0.29 C HETATM 1806 O4 RAP A 134 1.783 5.339 16.474 1.00 -0.29 O HETATM 1807 C10 RAP A 134 2.056 7.541 17.368 1.00 0.25 C HETATM 1808 O6 RAP A 134 1.310 6.992 18.458 1.00 -0.36 O HETATM 1809 H10 RAP A 134 0.545 6.540 18.121 1.00 0.21 H HETATM 1810 C11 RAP A 134 3.332 8.282 17.940 1.00 0.02 C HETATM 1811 C12 RAP A 134 2.942 9.591 18.664 1.00 -0.04 C HETATM 1812 C13 RAP A 134 2.010 10.423 17.795 1.00 -0.03 C HETATM 1813 C14 RAP A 134 0.842 9.628 17.221 1.00 0.06 C HETATM 1814 C15 RAP A 134 0.193 10.413 16.094 1.00 0.01 C HETATM 1815 C16 RAP A 134 -0.582 11.664 16.490 1.00 0.10 C HETATM 1816 O7 RAP A 134 -1.627 11.272 17.324 1.00 -0.36 O HETATM 1817 C50 RAP A 134 -2.123 12.243 18.189 1.00 0.04 C HETATM 1818 H71 RAP A 134 -2.939 11.816 18.791 1.00 0.05 H HETATM 1819 H72 RAP A 134 -2.505 13.094 17.605 1.00 0.05 H HETATM 1820 H73 RAP A 134 -1.318 12.587 18.855 1.00 0.05 H HETATM 1821 C17 RAP A 134 -1.145 12.371 15.276 1.00 -0.03 C HETATM 1822 C44 RAP A 134 -2.257 11.621 14.522 1.00 -0.02 C HETATM 1823 H53 RAP A 134 -2.589 12.224 13.664 1.00 0.05 H HETATM 1824 H54 RAP A 134 -3.107 11.448 15.199 1.00 0.05 H HETATM 1825 H55 RAP A 134 -1.871 10.655 14.164 1.00 0.05 H HETATM 1826 C18 RAP A 134 -0.672 13.571 14.967 1.00 -0.08 C HETATM 1827 C19 RAP A 134 -1.096 14.367 13.807 1.00 -0.10 C HETATM 1828 C20 RAP A 134 -0.586 15.578 13.634 1.00 -0.10 C HETATM 1829 C21 RAP A 134 -0.900 16.377 12.435 1.00 -0.09 C HETATM 1830 C22 RAP A 134 -0.248 17.488 12.149 1.00 -0.09 C HETATM 1831 C23 RAP A 134 -0.450 18.289 10.881 1.00 -0.02 C HETATM 1832 C24 RAP A 134 0.911 18.401 10.216 1.00 -0.02 C HETATM 1833 C25 RAP A 134 1.674 17.112 9.975 1.00 0.03 C HETATM 1834 C26 RAP A 134 3.157 17.391 9.771 1.00 0.14 C HETATM 1835 O8 RAP A 134 3.611 17.669 8.663 1.00 -0.39 O HETATM 1836 C27 RAP A 134 4.048 17.297 11.005 1.00 0.16 C HETATM 1837 O9 RAP A 134 5.210 18.050 10.778 1.00 -0.36 O HETATM 1838 C51 RAP A 134 5.134 19.387 11.130 1.00 0.04 C HETATM 1839 H74 RAP A 134 6.093 19.879 10.911 1.00 0.05 H HETATM 1840 H75 RAP A 134 4.916 19.471 12.205 1.00 0.05 H HETATM 1841 H76 RAP A 134 4.333 19.873 10.554 1.00 0.05 H HETATM 1842 C28 RAP A 134 4.513 15.841 11.329 1.00 0.12 C HETATM 1843 O10 RAP A 134 4.824 15.200 10.084 1.00 -0.38 O HETATM 1844 H31 RAP A 134 5.111 14.310 10.250 1.00 0.21 H HETATM 1845 C29 RAP A 134 3.462 15.014 12.094 1.00 -0.05 C HETATM 1846 C47 RAP A 134 3.222 15.475 13.519 1.00 -0.04 C HETATM 1847 H62 RAP A 134 2.462 14.834 13.989 1.00 0.04 H HETATM 1848 H63 RAP A 134 2.869 16.517 13.513 1.00 0.04 H HETATM 1849 H64 RAP A 134 4.161 15.409 14.089 1.00 0.04 H HETATM 1850 C30 RAP A 134 2.808 13.989 11.549 1.00 -0.09 C HETATM 1851 C31 RAP A 134 1.773 13.042 12.175 1.00 0.04 C HETATM 1852 C32 RAP A 134 2.433 11.701 12.495 1.00 0.11 C HETATM 1853 O11 RAP A 134 2.264 10.701 11.791 1.00 -0.39 O HETATM 1854 C33 RAP A 134 3.358 11.693 13.707 1.00 0.05 C HETATM 1855 C34 RAP A 134 4.630 10.909 13.455 1.00 0.11 C HETATM 1856 C35 RAP A 134 5.846 11.169 14.367 1.00 -0.01 C HETATM 1857 C36 RAP A 134 6.551 12.480 14.027 1.00 -0.04 C HETATM 1858 C37 RAP A 134 7.210 12.586 12.650 1.00 -0.04 C HETATM 1859 C38 RAP A 134 7.812 13.983 12.461 1.00 -0.02 C HETATM 1860 C39 RAP A 134 8.386 14.202 11.059 1.00 0.08 C HETATM 1861 O12 RAP A 134 9.041 15.444 11.086 1.00 -0.38 O HETATM 1862 C52 RAP A 134 8.352 16.524 10.556 1.00 0.04 C HETATM 1863 H77 RAP A 134 8.971 17.430 10.638 1.00 0.05 H HETATM 1864 H78 RAP A 134 7.414 16.669 11.112 1.00 0.05 H HETATM 1865 H79 RAP A 134 8.124 16.330 9.498 1.00 0.05 H HETATM 1866 C40 RAP A 134 9.399 13.057 10.711 1.00 0.08 C HETATM 1867 O13 RAP A 134 9.803 13.189 9.349 1.00 -0.39 O HETATM 1868 H45 RAP A 134 9.041 13.124 8.786 1.00 0.21 H HETATM 1869 C41 RAP A 134 8.819 11.645 10.930 1.00 -0.02 C HETATM 1870 C42 RAP A 134 8.243 11.505 12.332 1.00 -0.05 C HETATM 1871 H48 RAP A 134 7.761 10.520 12.419 1.00 0.03 H HETATM 1872 H49 RAP A 134 9.065 11.577 13.060 1.00 0.03 H HETATM 1873 H46 RAP A 134 9.619 10.902 10.794 1.00 0.03 H HETATM 1874 H47 RAP A 134 8.022 11.465 10.194 1.00 0.03 H HETATM 1875 H44 RAP A 134 10.281 13.170 11.359 1.00 0.06 H HETATM 1876 H43 RAP A 134 7.577 14.216 10.314 1.00 0.06 H HETATM 1877 H41 RAP A 134 8.619 14.119 13.195 1.00 0.03 H HETATM 1878 H42 RAP A 134 7.025 14.731 12.638 1.00 0.03 H HETATM 1879 H40 RAP A 134 6.405 12.472 11.909 1.00 0.03 H HETATM 1880 H38 RAP A 134 7.335 12.639 14.782 1.00 0.03 H HETATM 1881 H39 RAP A 134 5.805 13.285 14.099 1.00 0.03 H HETATM 1882 C49 RAP A 134 5.482 11.130 15.824 1.00 -0.06 C HETATM 1883 H68 RAP A 134 4.976 10.180 16.050 1.00 0.02 H HETATM 1884 H69 RAP A 134 4.809 11.968 16.056 1.00 0.02 H HETATM 1885 H70 RAP A 134 6.395 11.213 16.432 1.00 0.02 H HETATM 1886 H37 RAP A 134 6.563 10.355 14.187 1.00 0.03 H HETATM 1887 O1 RAP A 134 4.264 9.593 13.679 1.00 -0.27 O HETATM 1888 H36 RAP A 134 4.940 11.066 12.411 1.00 0.07 H HETATM 1889 H34 RAP A 134 2.825 11.239 14.556 1.00 0.05 H HETATM 1890 H35 RAP A 134 3.626 12.731 13.955 1.00 0.05 H HETATM 1891 C48 RAP A 134 0.625 12.830 11.175 1.00 -0.04 C HETATM 1892 H65 RAP A 134 0.153 13.797 10.948 1.00 0.03 H HETATM 1893 H66 RAP A 134 -0.122 12.152 11.613 1.00 0.03 H HETATM 1894 H67 RAP A 134 1.022 12.389 10.249 1.00 0.03 H HETATM 1895 H33 RAP A 134 1.378 13.486 13.101 1.00 0.06 H HETATM 1896 H32 RAP A 134 3.042 13.793 10.504 1.00 0.03 H HETATM 1897 H30 RAP A 134 5.421 15.894 11.947 1.00 0.08 H HETATM 1898 H29 RAP A 134 3.499 17.700 11.869 1.00 0.09 H HETATM 1899 C46 RAP A 134 1.099 16.327 8.793 1.00 -0.05 C HETATM 1900 H59 RAP A 134 1.677 15.402 8.651 1.00 0.03 H HETATM 1901 H60 RAP A 134 1.159 16.940 7.882 1.00 0.03 H HETATM 1902 H61 RAP A 134 0.048 16.074 8.997 1.00 0.03 H HETATM 1903 H28 RAP A 134 1.569 16.487 10.874 1.00 0.05 H HETATM 1904 H26 RAP A 134 1.538 19.043 10.852 1.00 0.03 H HETATM 1905 H27 RAP A 134 0.763 18.885 9.239 1.00 0.03 H HETATM 1906 C45 RAP A 134 -1.014 19.668 11.190 1.00 -0.05 C HETATM 1907 H56 RAP A 134 -1.998 19.562 11.670 1.00 0.03 H HETATM 1908 H57 RAP A 134 -1.121 20.238 10.255 1.00 0.03 H HETATM 1909 H58 RAP A 134 -0.331 20.200 11.868 1.00 0.03 H HETATM 1910 H25 RAP A 134 -1.147 17.760 10.215 1.00 0.05 H HETATM 1911 H24 RAP A 134 0.482 17.852 12.871 1.00 0.06 H HETATM 1912 H23 RAP A 134 -1.692 16.041 11.767 1.00 0.04 H HETATM 1913 H22 RAP A 134 0.078 15.991 14.392 1.00 0.04 H HETATM 1914 H21 RAP A 134 -1.820 13.967 13.099 1.00 0.05 H HETATM 1915 H20 RAP A 134 0.087 13.998 15.621 1.00 0.03 H HETATM 1916 H19 RAP A 134 0.086 12.352 17.029 1.00 0.08 H HETATM 1917 H17 RAP A 134 -0.505 9.738 15.576 1.00 0.03 H HETATM 1918 H18 RAP A 134 0.989 10.720 15.400 1.00 0.03 H HETATM 1919 O5 RAP A 134 1.280 8.457 16.631 1.00 -0.34 O HETATM 1920 H16 RAP A 134 0.115 9.412 18.018 1.00 0.06 H HETATM 1921 H14 RAP A 134 2.592 10.839 16.959 1.00 0.03 H HETATM 1922 H15 RAP A 134 1.606 11.244 18.405 1.00 0.03 H HETATM 1923 H12 RAP A 134 3.852 10.171 18.878 1.00 0.03 H HETATM 1924 H13 RAP A 134 2.433 9.345 19.608 1.00 0.03 H HETATM 1925 C43 RAP A 134 4.258 7.412 18.840 1.00 -0.06 C HETATM 1926 H50 RAP A 134 4.523 6.487 18.307 1.00 0.02 H HETATM 1927 H51 RAP A 134 3.732 7.160 19.772 1.00 0.02 H HETATM 1928 H52 RAP A 134 5.173 7.974 19.076 1.00 0.02 H HETATM 1929 H11 RAP A 134 3.935 8.567 17.066 1.00 0.03 H HETATM 1930 H8 RAP A 134 1.057 7.283 14.526 1.00 0.05 H HETATM 1931 H9 RAP A 134 1.845 8.500 13.467 1.00 0.05 H HETATM 1932 H6 RAP A 134 1.299 5.586 12.766 1.00 0.03 H HETATM 1933 H7 RAP A 134 0.372 7.007 12.177 1.00 0.03 H HETATM 1934 H4 RAP A 134 2.046 6.226 10.507 1.00 0.03 H HETATM 1935 H5 RAP A 134 2.399 7.892 11.080 1.00 0.03 H HETATM 1936 H2 RAP A 134 3.675 5.292 12.055 1.00 0.03 H HETATM 1937 H3 RAP A 134 4.458 6.575 11.072 1.00 0.03 H HETATM 1938 H1 RAP A 134 5.054 6.532 13.525 1.00 0.08 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1795 1796 1797 1887 CONECT 1796 1795 CONECT 1797 1795 1798 1802 1938 CONECT 1798 1797 1799 1936 1937 CONECT 1799 1798 1800 1934 1935 CONECT 1800 1799 1801 1932 1933 CONECT 1801 1800 1802 1930 1931 CONECT 1802 1797 1801 1803 CONECT 1803 1802 1804 1805 CONECT 1804 1803 CONECT 1805 1803 1806 1807 CONECT 1806 1805 CONECT 1807 1805 1808 1810 1919 CONECT 1808 1807 1809 CONECT 1809 1808 CONECT 1810 1807 1811 1925 1929 CONECT 1811 1810 1812 1923 1924 CONECT 1812 1811 1813 1921 1922 CONECT 1813 1812 1814 1919 1920 CONECT 1814 1813 1815 1917 1918 CONECT 1815 1814 1816 1821 1916 CONECT 1816 1815 1817 CONECT 1817 1816 1818 1819 1820 CONECT 1818 1817 CONECT 1819 1817 CONECT 1820 1817 CONECT 1821 1815 1822 1826 CONECT 1822 1821 1823 1824 1825 CONECT 1823 1822 CONECT 1824 1822 CONECT 1825 1822 CONECT 1826 1821 1827 1915 CONECT 1827 1826 1828 1914 CONECT 1828 1827 1829 1913 CONECT 1829 1828 1830 1912 CONECT 1830 1829 1831 1911 CONECT 1831 1830 1832 1906 1910 CONECT 1832 1831 1833 1904 1905 CONECT 1833 1832 1834 1899 1903 CONECT 1834 1833 1835 1836 CONECT 1835 1834 CONECT 1836 1834 1837 1842 1898 CONECT 1837 1836 1838 CONECT 1838 1837 1839 1840 1841 CONECT 1839 1838 CONECT 1840 1838 CONECT 1841 1838 CONECT 1842 1836 1843 1845 1897 CONECT 1843 1842 1844 CONECT 1844 1843 CONECT 1845 1842 1846 1850 CONECT 1846 1845 1847 1848 1849 CONECT 1847 1846 CONECT 1848 1846 CONECT 1849 1846 CONECT 1850 1845 1851 1896 CONECT 1851 1850 1852 1891 1895 CONECT 1852 1851 1853 1854 CONECT 1853 1852 CONECT 1854 1852 1855 1889 1890 CONECT 1855 1854 1856 1887 1888 CONECT 1856 1855 1857 1882 1886 CONECT 1857 1856 1858 1880 1881 CONECT 1858 1857 1859 1870 1879 CONECT 1859 1858 1860 1877 1878 CONECT 1860 1859 1861 1866 1876 CONECT 1861 1860 1862 CONECT 1862 1861 1863 1864 1865 CONECT 1863 1862 CONECT 1864 1862 CONECT 1865 1862 CONECT 1866 1860 1867 1869 1875 CONECT 1867 1866 1868 CONECT 1868 1867 CONECT 1869 1866 1870 1873 1874 CONECT 1870 1858 1869 1871 1872 CONECT 1871 1870 CONECT 1872 1870 CONECT 1873 1869 CONECT 1874 1869 CONECT 1875 1866 CONECT 1876 1860 CONECT 1877 1859 CONECT 1878 1859 CONECT 1879 1858 CONECT 1880 1857 CONECT 1881 1857 CONECT 1882 1856 1883 1884 1885 CONECT 1883 1882 CONECT 1884 1882 CONECT 1885 1882 CONECT 1886 1856 CONECT 1887 1795 1855 CONECT 1888 1855 CONECT 1889 1854 CONECT 1890 1854 CONECT 1891 1851 1892 1893 1894 CONECT 1892 1891 CONECT 1893 1891 CONECT 1894 1891 CONECT 1895 1851 CONECT 1896 1850 CONECT 1897 1842 CONECT 1898 1836 CONECT 1899 1833 1900 1901 1902 CONECT 1900 1899 CONECT 1901 1899 CONECT 1902 1899 CONECT 1903 1833 CONECT 1904 1832 CONECT 1905 1832 CONECT 1906 1831 1907 1908 1909 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1906 CONECT 1910 1831 CONECT 1911 1830 CONECT 1912 1829 CONECT 1913 1828 CONECT 1914 1827 CONECT 1915 1826 CONECT 1916 1815 CONECT 1917 1814 CONECT 1918 1814 CONECT 1919 1807 1813 CONECT 1920 1813 CONECT 1921 1812 CONECT 1922 1812 CONECT 1923 1811 CONECT 1924 1811 CONECT 1925 1810 1926 1927 1928 CONECT 1926 1925 CONECT 1927 1925 CONECT 1928 1925 CONECT 1929 1810 CONECT 1930 1801 CONECT 1931 1801 CONECT 1932 1800 CONECT 1933 1800 CONECT 1934 1799 CONECT 1935 1799 CONECT 1936 1798 CONECT 1937 1798 CONECT 1938 1797 MASTER 0 0 0 0 0 0 0 0 1937 1 148 9 END
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Structure:
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Related entries of code: 1fkb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a7x
RCSB PDB
PDBbind
107aa, >1A7X_1|Chains... *
1b6c
RCSB PDB
PDBbind
107aa, >1B6C_1|Chains... at 100%
1bl4
RCSB PDB
PDBbind
107aa, >1BL4_1|Chains... at 99%
1d7i
RCSB PDB
PDBbind
107aa, >1D7I_1|Chains... at 100%
1d7j
RCSB PDB
PDBbind
107aa, >1D7J_1|Chains... at 100%
1f40
RCSB PDB
PDBbind
107aa, >1F40_1|Chain... at 100%
1fkf
RCSB PDB
PDBbind
107aa, >1FKF_1|Chain... at 100%
1fkg
RCSB PDB
PDBbind
107aa, >1FKG_1|Chain... at 100%
1fkh
RCSB PDB
PDBbind
107aa, >1FKH_1|Chain... at 100%
1fki
RCSB PDB
PDBbind
107aa, >1FKI_1|Chains... at 100%
1j4r
RCSB PDB
PDBbind
107aa, >1J4R_1|Chains... at 100%
1qpf
RCSB PDB
PDBbind
107aa, >1QPF_1|Chains... at 100%
1qpl
RCSB PDB
PDBbind
107aa, >1QPL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1pbk
RCSB PDB
PDBbind
RAP
4qt2
RCSB PDB
PDBbind
RAP
Entry Information
PDB ID
1fkb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
FK506 binding protein
Ligand Name
RAP
EC.Number
E.C.5.2.1.8
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=0.2nM
Release Year
1993
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc.v113;pp.7433
Ligand Properties
Formula
C
5
1
H
7
9
NO
1
3
Molecular Weight
914.172
Exact Mass
913.555
No. of atoms
144
No. of bonds
147
Polar Surface Area
195.43
LOGP Value
6.02 (
Computed with XLOGP3
)
6.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
Canonical SMILES
CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C
InChI String
InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P62942
Entrez Gene ID
NCBI Entrez Gene ID:
2280
ASD
Information of known allosteric effects of PDB entries
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