Browse entries in the PDBbind-CN Database
HEADER 1KA7_COMPLEX COMPND 1KA7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 MET ASP ALA VAL ALA VAL TYR HIS GLY LYS ILE SER ARG SEQRES 2 A 107 GLU THR GLY GLU LYS LEU LEU LEU ALA THR GLY LEU ASP SEQRES 3 A 107 GLY SER TYR LEU LEU ARG ASP SER GLU SER VAL PRO GLY SEQRES 4 A 107 VAL TYR CYS LEU CYS VAL LEU TYR HIS GLY TYR ILE TYR SEQRES 5 A 107 THR TYR ARG VAL SER GLN THR GLU THR GLY SER TRP SER SEQRES 6 A 107 ALA GLU THR ALA PRO GLY VAL HIS LYS ARG TYR PHE ARG SEQRES 7 A 107 LYS ILE LYS ASN LEU ILE SER ALA PHE GLN LYS PRO ASP SEQRES 8 A 107 GLN GLY ILE VAL ILE PRO LEU GLN TYR PRO VAL GLU LYS SEQRES 9 A 107 LYS SER SER HET ARG A 108 215 ATOM 1 N MET A 1 -11.796 -16.329 -3.336 1.00 2.18 N ATOM 2 CA MET A 1 -10.647 -17.118 -2.820 1.00 1.67 C ATOM 3 C MET A 1 -9.640 -16.222 -2.105 1.00 1.61 C ATOM 4 O MET A 1 -8.846 -16.694 -1.292 1.00 2.26 O ATOM 5 CB MET A 1 -9.977 -17.830 -3.996 1.00 2.45 C ATOM 6 CG MET A 1 -9.636 -19.285 -3.712 1.00 3.02 C ATOM 7 SD MET A 1 -9.992 -20.367 -5.110 1.00 3.69 S ATOM 8 CE MET A 1 -9.286 -21.909 -4.533 1.00 4.70 C ATOM 9 HA MET A 1 -11.010 -17.847 -2.096 1.00 0.00 H ATOM 10 HB2 MET A 1 -10.652 -17.794 -4.851 1.00 0.00 H ATOM 11 HB3 MET A 1 -9.056 -17.301 -4.240 1.00 0.00 H ATOM 12 HG2 MET A 1 -10.219 -19.619 -2.854 1.00 0.00 H ATOM 13 HG3 MET A 1 -8.574 -19.355 -3.477 1.00 0.00 H ATOM 14 HE1 MET A 1 -8.221 -21.772 -4.347 1.00 0.00 H ATOM 15 HE2 MET A 1 -9.781 -22.211 -3.610 1.00 0.00 H ATOM 16 HE3 MET A 1 -9.428 -22.679 -5.292 1.00 0.00 H ATOM 17 HN3 MET A 1 -11.450 -15.615 -4.008 1.00 0.00 H ATOM 18 HN2 MET A 1 -12.275 -15.857 -2.543 1.00 0.00 H ATOM 19 HN1 MET A 1 -12.464 -16.965 -3.817 1.00 0.00 H ATOM 20 N ASP A 2 -9.680 -14.928 -2.418 1.00 1.17 N ATOM 21 CA ASP A 2 -8.771 -13.961 -1.809 1.00 1.12 C ATOM 22 C ASP A 2 -7.317 -14.368 -2.030 1.00 0.75 C ATOM 23 O ASP A 2 -6.625 -14.778 -1.098 1.00 0.95 O ATOM 24 CB ASP A 2 -9.059 -13.827 -0.312 1.00 1.41 C ATOM 25 CG ASP A 2 -9.931 -12.628 0.005 1.00 2.16 C ATOM 26 OD1 ASP A 2 -11.012 -12.504 -0.607 1.00 2.89 O ATOM 27 OD2 ASP A 2 -9.531 -11.813 0.862 1.00 2.74 O ATOM 28 HA ASP A 2 -8.934 -12.995 -2.287 1.00 0.00 H ATOM 29 HB2 ASP A 2 -9.567 -14.729 0.029 1.00 0.00 H ATOM 30 HB3 ASP A 2 -8.113 -13.722 0.219 1.00 0.00 H ATOM 31 H ASP A 2 -10.377 -14.597 -3.115 1.00 0.00 H ATOM 32 N ALA A 3 -6.861 -14.254 -3.275 1.00 0.57 N ATOM 33 CA ALA A 3 -5.491 -14.611 -3.625 1.00 0.38 C ATOM 34 C ALA A 3 -4.574 -13.393 -3.577 1.00 0.37 C ATOM 35 O ALA A 3 -4.565 -12.574 -4.497 1.00 0.57 O ATOM 36 CB ALA A 3 -5.455 -15.247 -5.008 1.00 0.74 C ATOM 37 HA ALA A 3 -5.129 -15.331 -2.892 1.00 0.00 H ATOM 38 HB1 ALA A 3 -6.072 -16.146 -5.009 1.00 0.00 H ATOM 39 HB2 ALA A 3 -5.840 -14.539 -5.742 1.00 0.00 H ATOM 40 HB3 ALA A 3 -4.427 -15.510 -5.259 1.00 0.00 H ATOM 41 H ALA A 3 -7.498 -13.901 -4.018 1.00 0.00 H ATOM 42 N VAL A 4 -3.803 -13.281 -2.499 1.00 0.23 N ATOM 43 CA VAL A 4 -2.881 -12.164 -2.331 1.00 0.20 C ATOM 44 C VAL A 4 -1.431 -12.636 -2.379 1.00 0.19 C ATOM 45 O VAL A 4 -0.845 -12.978 -1.351 1.00 0.21 O ATOM 46 CB VAL A 4 -3.124 -11.426 -1.000 1.00 0.20 C ATOM 47 CG1 VAL A 4 -2.250 -10.185 -0.910 1.00 0.20 C ATOM 48 CG2 VAL A 4 -4.592 -11.065 -0.849 1.00 0.23 C ATOM 49 HA VAL A 4 -3.066 -11.477 -3.157 1.00 0.00 H ATOM 50 HB VAL A 4 -2.853 -12.093 -0.182 1.00 0.00 H ATOM 51 HG11 VAL A 4 -1.201 -10.476 -0.967 1.00 0.00 H ATOM 52 HG12 VAL A 4 -2.488 -9.514 -1.735 1.00 0.00 H ATOM 53 HG13 VAL A 4 -2.437 -9.679 0.037 1.00 0.00 H ATOM 54 HG21 VAL A 4 -4.892 -10.417 -1.673 1.00 0.00 H ATOM 55 HG22 VAL A 4 -5.192 -11.975 -0.864 1.00 0.00 H ATOM 56 HG23 VAL A 4 -4.741 -10.545 0.097 1.00 0.00 H ATOM 57 H VAL A 4 -3.859 -14.008 -1.758 1.00 0.00 H ATOM 58 N ALA A 5 -0.859 -12.649 -3.578 1.00 0.20 N ATOM 59 CA ALA A 5 0.522 -13.075 -3.761 1.00 0.21 C ATOM 60 C ALA A 5 1.489 -11.936 -3.458 1.00 0.20 C ATOM 61 O ALA A 5 2.688 -12.155 -3.282 1.00 0.25 O ATOM 62 CB ALA A 5 0.733 -13.586 -5.177 1.00 0.24 C ATOM 63 HA ALA A 5 0.724 -13.886 -3.061 1.00 0.00 H ATOM 64 HB1 ALA A 5 0.072 -14.433 -5.359 1.00 0.00 H ATOM 65 HB2 ALA A 5 0.509 -12.790 -5.887 1.00 0.00 H ATOM 66 HB3 ALA A 5 1.770 -13.900 -5.298 1.00 0.00 H ATOM 67 H ALA A 5 -1.411 -12.348 -4.406 1.00 0.00 H ATOM 68 N VAL A 6 0.958 -10.718 -3.397 1.00 0.17 N ATOM 69 CA VAL A 6 1.769 -9.541 -3.113 1.00 0.18 C ATOM 70 C VAL A 6 2.020 -9.397 -1.616 1.00 0.16 C ATOM 71 O VAL A 6 2.650 -8.437 -1.171 1.00 0.19 O ATOM 72 CB VAL A 6 1.097 -8.255 -3.632 1.00 0.19 C ATOM 73 CG1 VAL A 6 1.223 -8.159 -5.143 1.00 0.27 C ATOM 74 CG2 VAL A 6 -0.364 -8.207 -3.207 1.00 0.16 C ATOM 75 HA VAL A 6 2.719 -9.680 -3.629 1.00 0.00 H ATOM 76 HB VAL A 6 1.608 -7.398 -3.193 1.00 0.00 H ATOM 77 HG11 VAL A 6 2.278 -8.143 -5.418 1.00 0.00 H ATOM 78 HG12 VAL A 6 0.739 -9.021 -5.602 1.00 0.00 H ATOM 79 HG13 VAL A 6 0.742 -7.244 -5.489 1.00 0.00 H ATOM 80 HG21 VAL A 6 -0.889 -9.071 -3.616 1.00 0.00 H ATOM 81 HG22 VAL A 6 -0.425 -8.225 -2.119 1.00 0.00 H ATOM 82 HG23 VAL A 6 -0.821 -7.292 -3.583 1.00 0.00 H ATOM 83 H VAL A 6 -0.063 -10.603 -3.556 1.00 0.00 H ATOM 84 N TYR A 7 1.522 -10.357 -0.847 1.00 0.15 N ATOM 85 CA TYR A 7 1.686 -10.345 0.601 1.00 0.15 C ATOM 86 C TYR A 7 2.842 -11.245 1.025 1.00 0.14 C ATOM 87 O TYR A 7 2.650 -12.435 1.279 1.00 0.19 O ATOM 88 CB TYR A 7 0.393 -10.801 1.279 1.00 0.22 C ATOM 89 CG TYR A 7 0.326 -10.475 2.755 1.00 0.23 C ATOM 90 CD1 TYR A 7 0.473 -9.170 3.206 1.00 1.24 C ATOM 91 CD2 TYR A 7 0.111 -11.475 3.695 1.00 1.15 C ATOM 92 CE1 TYR A 7 0.409 -8.871 4.554 1.00 1.27 C ATOM 93 CE2 TYR A 7 0.046 -11.184 5.043 1.00 1.15 C ATOM 94 CZ TYR A 7 0.195 -9.881 5.468 1.00 0.33 C ATOM 95 OH TYR A 7 0.128 -9.589 6.811 1.00 0.40 O ATOM 96 HA TYR A 7 1.913 -9.325 0.911 1.00 0.00 H ATOM 97 HB3 TYR A 7 0.306 -11.881 1.162 1.00 0.00 H ATOM 98 HB2 TYR A 7 -0.446 -10.314 0.781 1.00 0.00 H ATOM 99 HD2 TYR A 7 -0.008 -12.506 3.363 1.00 0.00 H ATOM 100 HE2 TYR A 7 -0.122 -11.981 5.768 1.00 0.00 H ATOM 101 HE1 TYR A 7 0.527 -7.842 4.893 1.00 0.00 H ATOM 102 HD1 TYR A 7 0.641 -8.369 2.486 1.00 0.00 H ATOM 103 HH TYR A 7 0.254 -8.616 6.943 1.00 0.00 H ATOM 104 H TYR A 7 1.000 -11.140 -1.290 1.00 0.00 H ATOM 105 N HIS A 8 4.042 -10.676 1.100 1.00 0.25 N ATOM 106 CA HIS A 8 5.222 -11.446 1.495 1.00 0.33 C ATOM 107 C HIS A 8 5.139 -11.839 2.967 1.00 0.34 C ATOM 108 O HIS A 8 5.916 -12.668 3.442 1.00 0.49 O ATOM 109 CB HIS A 8 6.519 -10.640 1.241 1.00 0.42 C ATOM 110 CG HIS A 8 6.347 -9.160 1.373 1.00 0.40 C ATOM 111 ND1 HIS A 8 6.816 -8.266 0.436 1.00 1.25 N ATOM 112 CD2 HIS A 8 5.762 -8.417 2.341 1.00 1.28 C ATOM 113 CE1 HIS A 8 6.528 -7.038 0.821 1.00 1.42 C ATOM 114 NE2 HIS A 8 5.888 -7.100 1.974 1.00 1.33 N ATOM 115 HA HIS A 8 5.248 -12.350 0.887 1.00 0.00 H ATOM 116 HB2 HIS A 8 7.271 -10.964 1.960 1.00 0.00 H ATOM 117 HB3 HIS A 8 6.866 -10.857 0.231 1.00 0.00 H ATOM 118 HD2 HIS A 8 5.281 -8.794 3.243 1.00 0.00 H ATOM 119 HE1 HIS A 8 6.776 -6.126 0.279 1.00 0.00 H ATOM 120 H HIS A 8 4.143 -9.666 0.874 1.00 0.00 H ATOM 121 N GLY A 9 4.191 -11.243 3.682 1.00 0.25 N ATOM 122 CA GLY A 9 4.024 -11.546 5.091 1.00 0.26 C ATOM 123 C GLY A 9 4.411 -10.385 5.985 1.00 0.26 C ATOM 124 O GLY A 9 4.064 -9.236 5.706 1.00 0.38 O ATOM 125 HA3 GLY A 9 4.649 -12.403 5.341 1.00 0.00 H ATOM 126 HA2 GLY A 9 2.979 -11.795 5.274 1.00 0.00 H ATOM 127 H GLY A 9 3.562 -10.552 3.227 1.00 0.00 H ATOM 128 N LYS A 10 5.128 -10.683 7.064 1.00 0.16 N ATOM 129 CA LYS A 10 5.560 -9.654 8.003 1.00 0.16 C ATOM 130 C LYS A 10 7.049 -9.363 7.851 1.00 0.14 C ATOM 131 O LYS A 10 7.887 -10.252 8.014 1.00 0.19 O ATOM 132 CB LYS A 10 5.255 -10.084 9.440 1.00 0.20 C ATOM 133 CG LYS A 10 5.564 -9.011 10.473 1.00 0.20 C ATOM 134 CD LYS A 10 4.566 -9.036 11.619 1.00 0.28 C ATOM 135 CE LYS A 10 5.145 -9.719 12.847 1.00 0.46 C ATOM 136 NZ LYS A 10 5.477 -11.146 12.584 1.00 1.25 N ATOM 137 HA LYS A 10 5.008 -8.741 7.779 1.00 0.00 H ATOM 138 HB2 LYS A 10 4.196 -10.334 9.508 1.00 0.00 H ATOM 139 HB3 LYS A 10 5.851 -10.967 9.670 1.00 0.00 H ATOM 140 HG2 LYS A 10 6.565 -9.180 10.871 1.00 0.00 H ATOM 141 HG3 LYS A 10 5.526 -8.034 9.991 1.00 0.00 H ATOM 142 HD2 LYS A 10 4.297 -8.012 11.877 1.00 0.00 H ATOM 143 HD3 LYS A 10 3.674 -9.576 11.301 1.00 0.00 H ATOM 144 HE2 LYS A 10 4.415 -9.670 13.655 1.00 0.00 H ATOM 145 HE3 LYS A 10 6.053 -9.195 13.147 1.00 0.00 H ATOM 146 HZ1 LYS A 10 4.615 -11.655 12.304 1.00 0.00 H ATOM 147 HZ2 LYS A 10 6.179 -11.202 11.818 1.00 0.00 H ATOM 148 HZ3 LYS A 10 5.869 -11.574 13.447 1.00 0.00 H ATOM 149 H LYS A 10 5.387 -11.674 7.243 1.00 0.00 H ATOM 150 N ILE A 11 7.371 -8.112 7.539 1.00 0.15 N ATOM 151 CA ILE A 11 8.756 -7.694 7.365 1.00 0.15 C ATOM 152 C ILE A 11 9.010 -6.349 8.041 1.00 0.15 C ATOM 153 O ILE A 11 8.100 -5.529 8.175 1.00 0.18 O ATOM 154 CB ILE A 11 9.129 -7.584 5.873 1.00 0.16 C ATOM 155 CG1 ILE A 11 8.043 -6.825 5.109 1.00 0.17 C ATOM 156 CG2 ILE A 11 9.338 -8.968 5.276 1.00 0.19 C ATOM 157 CD1 ILE A 11 8.465 -6.400 3.719 1.00 0.21 C ATOM 158 HA ILE A 11 9.379 -8.458 7.831 1.00 0.00 H ATOM 159 HB ILE A 11 10.063 -7.029 5.786 1.00 0.00 H ATOM 160 HG12 ILE A 11 7.168 -7.469 5.022 1.00 0.00 H ATOM 161 HG13 ILE A 11 7.781 -5.933 5.678 1.00 0.00 H ATOM 162 HD11 ILE A 11 9.333 -5.745 3.789 1.00 0.00 H ATOM 163 HD12 ILE A 11 8.720 -7.283 3.132 1.00 0.00 H ATOM 164 HD13 ILE A 11 7.644 -5.868 3.238 1.00 0.00 H ATOM 165 HG21 ILE A 11 10.144 -9.474 5.808 1.00 0.00 H ATOM 166 HG22 ILE A 11 8.419 -9.546 5.371 1.00 0.00 H ATOM 167 HG23 ILE A 11 9.601 -8.872 4.222 1.00 0.00 H ATOM 168 H ILE A 11 6.613 -7.411 7.415 1.00 0.00 H ATOM 169 N SER A 12 10.250 -6.132 8.467 1.00 0.18 N ATOM 170 CA SER A 12 10.625 -4.889 9.131 1.00 0.20 C ATOM 171 C SER A 12 10.555 -3.712 8.164 1.00 0.17 C ATOM 172 O SER A 12 10.471 -3.899 6.950 1.00 0.17 O ATOM 173 CB SER A 12 12.036 -5.006 9.709 1.00 0.24 C ATOM 174 OG SER A 12 12.407 -3.825 10.398 1.00 0.52 O ATOM 175 HA SER A 12 9.919 -4.710 9.942 1.00 0.00 H ATOM 176 HB2 SER A 12 12.740 -5.180 8.896 1.00 0.00 H ATOM 177 HB3 SER A 12 12.068 -5.847 10.402 1.00 0.00 H ATOM 178 HG SER A 12 13.322 -3.929 10.760 1.00 0.00 H ATOM 179 H SER A 12 10.971 -6.867 8.323 1.00 0.00 H ATOM 180 N ARG A 13 10.590 -2.499 8.708 1.00 0.18 N ATOM 181 CA ARG A 13 10.530 -1.292 7.890 1.00 0.20 C ATOM 182 C ARG A 13 11.711 -1.235 6.926 1.00 0.18 C ATOM 183 O ARG A 13 11.555 -0.870 5.760 1.00 0.21 O ATOM 184 CB ARG A 13 10.519 -0.045 8.778 1.00 0.25 C ATOM 185 CG ARG A 13 9.789 1.135 8.158 1.00 0.43 C ATOM 186 CD ARG A 13 8.497 1.443 8.897 1.00 0.49 C ATOM 187 NE ARG A 13 8.715 2.336 10.032 1.00 1.04 N ATOM 188 CZ ARG A 13 8.155 2.164 11.225 1.00 1.47 C ATOM 189 NH1 ARG A 13 7.349 1.132 11.441 1.00 1.75 N ATOM 190 NH2 ARG A 13 8.401 3.022 12.204 1.00 2.12 N ATOM 191 HA ARG A 13 9.608 -1.320 7.310 1.00 0.00 H ATOM 192 HB2 ARG A 13 10.031 -0.296 9.720 1.00 0.00 H ATOM 193 HB3 ARG A 13 11.550 0.250 8.972 1.00 0.00 H ATOM 194 HG2 ARG A 13 10.436 2.011 8.195 1.00 0.00 H ATOM 195 HG3 ARG A 13 9.556 0.901 7.119 1.00 0.00 H ATOM 196 HD2 ARG A 13 8.068 0.509 9.261 1.00 0.00 H ATOM 197 HD3 ARG A 13 7.800 1.916 8.205 1.00 0.00 H ATOM 198 HE ARG A 13 9.344 3.153 9.899 1.00 0.00 H ATOM 199 HH12 ARG A 13 6.912 1.000 12.376 1.00 0.00 H ATOM 200 HH11 ARG A 13 7.154 0.455 10.676 1.00 0.00 H ATOM 201 HH22 ARG A 13 7.962 2.886 13.137 1.00 0.00 H ATOM 202 HH21 ARG A 13 9.033 3.831 12.040 1.00 0.00 H ATOM 203 H ARG A 13 10.662 -2.408 9.742 1.00 0.00 H ATOM 204 N GLU A 14 12.890 -1.601 7.419 1.00 0.17 N ATOM 205 CA GLU A 14 14.098 -1.596 6.601 1.00 0.19 C ATOM 206 C GLU A 14 13.966 -2.567 5.432 1.00 0.18 C ATOM 207 O GLU A 14 14.537 -2.349 4.364 1.00 0.22 O ATOM 208 CB GLU A 14 15.317 -1.962 7.450 1.00 0.23 C ATOM 209 CG GLU A 14 16.533 -1.095 7.172 1.00 0.36 C ATOM 210 CD GLU A 14 17.487 -1.034 8.349 1.00 0.96 C ATOM 211 OE1 GLU A 14 18.208 -2.027 8.581 1.00 1.43 O ATOM 212 OE2 GLU A 14 17.515 0.008 9.037 1.00 1.67 O ATOM 213 HA GLU A 14 14.233 -0.591 6.202 1.00 0.00 H ATOM 214 HB2 GLU A 14 15.050 -1.855 8.501 1.00 0.00 H ATOM 215 HB3 GLU A 14 15.580 -3.000 7.247 1.00 0.00 H ATOM 216 HG2 GLU A 14 17.064 -1.504 6.312 1.00 0.00 H ATOM 217 HG3 GLU A 14 16.196 -0.084 6.942 1.00 0.00 H ATOM 218 H GLU A 14 12.953 -1.899 8.414 1.00 0.00 H ATOM 219 N THR A 15 13.207 -3.637 5.646 1.00 0.15 N ATOM 220 CA THR A 15 12.994 -4.646 4.615 1.00 0.16 C ATOM 221 C THR A 15 12.138 -4.098 3.478 1.00 0.15 C ATOM 222 O THR A 15 12.497 -4.214 2.307 1.00 0.17 O ATOM 223 CB THR A 15 12.312 -5.900 5.194 1.00 0.19 C ATOM 224 OG1 THR A 15 13.015 -6.347 6.359 1.00 0.23 O ATOM 225 CG2 THR A 15 12.267 -7.019 4.164 1.00 0.22 C ATOM 226 HA THR A 15 13.976 -4.918 4.229 1.00 0.00 H ATOM 227 HB THR A 15 11.290 -5.636 5.465 1.00 0.00 H ATOM 228 HG1 THR A 15 12.569 -7.152 6.723 1.00 0.00 H ATOM 229 HG23 THR A 15 11.731 -6.675 3.279 1.00 0.00 H ATOM 230 HG21 THR A 15 13.284 -7.299 3.889 1.00 0.00 H ATOM 231 HG22 THR A 15 11.754 -7.882 4.589 1.00 0.00 H ATOM 232 H THR A 15 12.753 -3.758 6.574 1.00 0.00 H ATOM 233 N GLY A 16 11.004 -3.504 3.835 1.00 0.14 N ATOM 234 CA GLY A 16 10.108 -2.949 2.837 1.00 0.16 C ATOM 235 C GLY A 16 10.744 -1.833 2.029 1.00 0.15 C ATOM 236 O GLY A 16 10.473 -1.690 0.837 1.00 0.16 O ATOM 237 HA3 GLY A 16 9.226 -2.555 3.342 1.00 0.00 H ATOM 238 HA2 GLY A 16 9.809 -3.746 2.156 1.00 0.00 H ATOM 239 H GLY A 16 10.755 -3.436 4.843 1.00 0.00 H ATOM 240 N GLU A 17 11.588 -1.041 2.681 1.00 0.15 N ATOM 241 CA GLU A 17 12.261 0.073 2.019 1.00 0.17 C ATOM 242 C GLU A 17 13.179 -0.421 0.904 1.00 0.16 C ATOM 243 O GLU A 17 13.024 -0.037 -0.256 1.00 0.19 O ATOM 244 CB GLU A 17 13.071 0.881 3.035 1.00 0.20 C ATOM 245 CG GLU A 17 12.250 1.922 3.778 1.00 0.25 C ATOM 246 CD GLU A 17 12.754 2.163 5.187 1.00 0.31 C ATOM 247 OE1 GLU A 17 13.966 2.416 5.349 1.00 0.71 O ATOM 248 OE2 GLU A 17 11.937 2.098 6.130 1.00 0.62 O ATOM 249 HA GLU A 17 11.496 0.711 1.577 1.00 0.00 H ATOM 250 HB2 GLU A 17 13.495 0.191 3.765 1.00 0.00 H ATOM 251 HB3 GLU A 17 13.877 1.390 2.507 1.00 0.00 H ATOM 252 HG2 GLU A 17 12.293 2.861 3.226 1.00 0.00 H ATOM 253 HG3 GLU A 17 11.216 1.580 3.830 1.00 0.00 H ATOM 254 H GLU A 17 11.774 -1.219 3.689 1.00 0.00 H ATOM 255 N LYS A 18 14.139 -1.267 1.265 1.00 0.16 N ATOM 256 CA LYS A 18 15.090 -1.808 0.300 1.00 0.18 C ATOM 257 C LYS A 18 14.395 -2.699 -0.727 1.00 0.16 C ATOM 258 O LYS A 18 14.864 -2.836 -1.858 1.00 0.18 O ATOM 259 CB LYS A 18 16.185 -2.601 1.019 1.00 0.20 C ATOM 260 CG LYS A 18 15.662 -3.808 1.783 1.00 0.21 C ATOM 261 CD LYS A 18 16.671 -4.944 1.790 1.00 0.33 C ATOM 262 CE LYS A 18 16.338 -5.989 0.738 1.00 0.51 C ATOM 263 NZ LYS A 18 16.444 -5.441 -0.642 1.00 1.37 N ATOM 264 HA LYS A 18 15.541 -0.967 -0.227 1.00 0.00 H ATOM 265 HB2 LYS A 18 16.903 -2.948 0.276 1.00 0.00 H ATOM 266 HB3 LYS A 18 16.685 -1.937 1.724 1.00 0.00 H ATOM 267 HG2 LYS A 18 15.453 -3.513 2.811 1.00 0.00 H ATOM 268 HG3 LYS A 18 14.742 -4.154 1.312 1.00 0.00 H ATOM 269 HD2 LYS A 18 17.662 -4.539 1.587 1.00 0.00 H ATOM 270 HD3 LYS A 18 16.667 -5.416 2.773 1.00 0.00 H ATOM 271 HE2 LYS A 18 15.319 -6.341 0.900 1.00 0.00 H ATOM 272 HE3 LYS A 18 17.030 -6.825 0.840 1.00 0.00 H ATOM 273 HZ1 LYS A 18 15.782 -4.647 -0.750 1.00 0.00 H ATOM 274 HZ2 LYS A 18 17.415 -5.109 -0.808 1.00 0.00 H ATOM 275 HZ3 LYS A 18 16.209 -6.186 -1.329 1.00 0.00 H ATOM 276 H LYS A 18 14.214 -1.551 2.263 1.00 0.00 H ATOM 277 N LEU A 19 13.283 -3.307 -0.327 1.00 0.14 N ATOM 278 CA LEU A 19 12.532 -4.189 -1.215 1.00 0.14 C ATOM 279 C LEU A 19 12.035 -3.438 -2.447 1.00 0.13 C ATOM 280 O LEU A 19 12.196 -3.904 -3.576 1.00 0.20 O ATOM 281 CB LEU A 19 11.351 -4.814 -0.472 1.00 0.16 C ATOM 282 CG LEU A 19 11.507 -6.302 -0.150 1.00 0.21 C ATOM 283 CD1 LEU A 19 10.643 -6.688 1.040 1.00 0.23 C ATOM 284 CD2 LEU A 19 11.153 -7.148 -1.364 1.00 0.35 C ATOM 285 HA LEU A 19 13.204 -4.981 -1.546 1.00 0.00 H ATOM 286 HB2 LEU A 19 11.218 -4.276 0.467 1.00 0.00 H ATOM 287 HB3 LEU A 19 10.460 -4.692 -1.088 1.00 0.00 H ATOM 288 HG LEU A 19 12.549 -6.489 0.110 1.00 0.00 H ATOM 289 HD21 LEU A 19 10.120 -6.953 -1.652 1.00 0.00 H ATOM 290 HD22 LEU A 19 11.817 -6.892 -2.190 1.00 0.00 H ATOM 291 HD23 LEU A 19 11.270 -8.203 -1.117 1.00 0.00 H ATOM 292 HD11 LEU A 19 10.944 -6.105 1.910 1.00 0.00 H ATOM 293 HD12 LEU A 19 9.597 -6.485 0.809 1.00 0.00 H ATOM 294 HD13 LEU A 19 10.770 -7.750 1.250 1.00 0.00 H ATOM 295 H LEU A 19 12.940 -3.151 0.642 1.00 0.00 H ATOM 296 N LEU A 20 11.427 -2.277 -2.224 1.00 0.09 N ATOM 297 CA LEU A 20 10.906 -1.467 -3.319 1.00 0.10 C ATOM 298 C LEU A 20 12.031 -0.733 -4.042 1.00 0.11 C ATOM 299 O LEU A 20 11.930 -0.445 -5.234 1.00 0.14 O ATOM 300 CB LEU A 20 9.878 -0.464 -2.796 1.00 0.12 C ATOM 301 CG LEU A 20 8.563 -1.079 -2.313 1.00 0.09 C ATOM 302 CD1 LEU A 20 7.696 -0.031 -1.636 1.00 0.17 C ATOM 303 CD2 LEU A 20 7.815 -1.715 -3.475 1.00 0.20 C ATOM 304 HA LEU A 20 10.421 -2.136 -4.030 1.00 0.00 H ATOM 305 HB2 LEU A 20 10.326 0.076 -1.962 1.00 0.00 H ATOM 306 HB3 LEU A 20 9.649 0.236 -3.599 1.00 0.00 H ATOM 307 HG LEU A 20 8.796 -1.854 -1.583 1.00 0.00 H ATOM 308 HD21 LEU A 20 7.597 -0.955 -4.225 1.00 0.00 H ATOM 309 HD22 LEU A 20 8.431 -2.497 -3.918 1.00 0.00 H ATOM 310 HD23 LEU A 20 6.882 -2.147 -3.112 1.00 0.00 H ATOM 311 HD11 LEU A 20 8.229 0.381 -0.779 1.00 0.00 H ATOM 312 HD12 LEU A 20 7.473 0.767 -2.344 1.00 0.00 H ATOM 313 HD13 LEU A 20 6.767 -0.491 -1.301 1.00 0.00 H ATOM 314 H LEU A 20 11.320 -1.939 -1.246 1.00 0.00 H ATOM 315 N LEU A 21 13.104 -0.438 -3.315 1.00 0.15 N ATOM 316 CA LEU A 21 14.247 0.259 -3.889 1.00 0.18 C ATOM 317 C LEU A 21 15.023 -0.658 -4.828 1.00 0.19 C ATOM 318 O LEU A 21 15.673 -0.197 -5.766 1.00 0.22 O ATOM 319 CB LEU A 21 15.168 0.769 -2.778 1.00 0.20 C ATOM 320 CG LEU A 21 14.973 2.238 -2.398 1.00 0.20 C ATOM 321 CD1 LEU A 21 15.223 2.438 -0.911 1.00 0.30 C ATOM 322 CD2 LEU A 21 15.892 3.129 -3.219 1.00 0.29 C ATOM 323 HA LEU A 21 13.876 1.109 -4.462 1.00 0.00 H ATOM 324 HB2 LEU A 21 14.993 0.164 -1.889 1.00 0.00 H ATOM 325 HB3 LEU A 21 16.199 0.639 -3.107 1.00 0.00 H ATOM 326 HG LEU A 21 13.942 2.517 -2.616 1.00 0.00 H ATOM 327 HD21 LEU A 21 16.929 2.850 -3.032 1.00 0.00 H ATOM 328 HD22 LEU A 21 15.666 3.004 -4.278 1.00 0.00 H ATOM 329 HD23 LEU A 21 15.738 4.169 -2.933 1.00 0.00 H ATOM 330 HD11 LEU A 21 14.523 1.827 -0.341 1.00 0.00 H ATOM 331 HD12 LEU A 21 16.244 2.141 -0.672 1.00 0.00 H ATOM 332 HD13 LEU A 21 15.080 3.489 -0.658 1.00 0.00 H ATOM 333 H LEU A 21 13.128 -0.712 -2.312 1.00 0.00 H ATOM 334 N ALA A 22 14.951 -1.960 -4.568 1.00 0.18 N ATOM 335 CA ALA A 22 15.648 -2.946 -5.386 1.00 0.20 C ATOM 336 C ALA A 22 15.081 -2.995 -6.801 1.00 0.17 C ATOM 337 O ALA A 22 15.831 -2.990 -7.778 1.00 0.18 O ATOM 338 CB ALA A 22 15.565 -4.319 -4.737 1.00 0.23 C ATOM 339 HA ALA A 22 16.694 -2.647 -5.455 1.00 0.00 H ATOM 340 HB1 ALA A 22 16.027 -4.282 -3.751 1.00 0.00 H ATOM 341 HB2 ALA A 22 14.519 -4.611 -4.639 1.00 0.00 H ATOM 342 HB3 ALA A 22 16.089 -5.045 -5.358 1.00 0.00 H ATOM 343 H ALA A 22 14.382 -2.284 -3.760 1.00 0.00 H ATOM 344 N THR A 23 13.755 -3.048 -6.903 1.00 0.16 N ATOM 345 CA THR A 23 13.089 -3.104 -8.202 1.00 0.15 C ATOM 346 C THR A 23 13.491 -1.924 -9.081 1.00 0.11 C ATOM 347 O THR A 23 13.543 -2.041 -10.305 1.00 0.15 O ATOM 348 CB THR A 23 11.555 -3.118 -8.050 1.00 0.17 C ATOM 349 OG1 THR A 23 11.167 -2.365 -6.895 1.00 0.23 O ATOM 350 CG2 THR A 23 11.035 -4.543 -7.929 1.00 0.17 C ATOM 351 HA THR A 23 13.407 -4.032 -8.678 1.00 0.00 H ATOM 352 HB THR A 23 11.122 -2.663 -8.941 1.00 0.00 H ATOM 353 HG1 THR A 23 11.475 -1.429 -6.994 1.00 0.00 H ATOM 354 HG23 THR A 23 11.332 -5.113 -8.809 1.00 0.00 H ATOM 355 HG21 THR A 23 11.454 -5.007 -7.036 1.00 0.00 H ATOM 356 HG22 THR A 23 9.948 -4.527 -7.855 1.00 0.00 H ATOM 357 H THR A 23 13.179 -3.050 -6.037 1.00 0.00 H ATOM 358 N GLY A 24 13.777 -0.790 -8.448 1.00 0.11 N ATOM 359 CA GLY A 24 14.174 0.395 -9.188 1.00 0.09 C ATOM 360 C GLY A 24 13.134 0.822 -10.206 1.00 0.09 C ATOM 361 O GLY A 24 13.470 1.167 -11.338 1.00 0.10 O ATOM 362 HA3 GLY A 24 15.108 0.185 -9.709 1.00 0.00 H ATOM 363 HA2 GLY A 24 14.329 1.212 -8.483 1.00 0.00 H ATOM 364 H GLY A 24 13.716 -0.751 -7.411 1.00 0.00 H ATOM 365 N LEU A 25 11.866 0.797 -9.802 1.00 0.10 N ATOM 366 CA LEU A 25 10.774 1.183 -10.689 1.00 0.10 C ATOM 367 C LEU A 25 9.718 1.989 -9.941 1.00 0.10 C ATOM 368 O LEU A 25 9.064 1.478 -9.031 1.00 0.14 O ATOM 369 CB LEU A 25 10.127 -0.058 -11.305 1.00 0.12 C ATOM 370 CG LEU A 25 11.009 -0.839 -12.280 1.00 0.14 C ATOM 371 CD1 LEU A 25 10.638 -2.314 -12.272 1.00 0.16 C ATOM 372 CD2 LEU A 25 10.886 -0.265 -13.683 1.00 0.20 C ATOM 373 HA LEU A 25 11.192 1.806 -11.480 1.00 0.00 H ATOM 374 HB2 LEU A 25 9.845 -0.729 -10.494 1.00 0.00 H ATOM 375 HB3 LEU A 25 9.232 0.259 -11.840 1.00 0.00 H ATOM 376 HG LEU A 25 12.046 -0.745 -11.958 1.00 0.00 H ATOM 377 HD21 LEU A 25 9.849 -0.330 -14.011 1.00 0.00 H ATOM 378 HD22 LEU A 25 11.201 0.778 -13.676 1.00 0.00 H ATOM 379 HD23 LEU A 25 11.520 -0.833 -14.363 1.00 0.00 H ATOM 380 HD11 LEU A 25 10.777 -2.717 -11.269 1.00 0.00 H ATOM 381 HD12 LEU A 25 9.595 -2.427 -12.569 1.00 0.00 H ATOM 382 HD13 LEU A 25 11.277 -2.852 -12.972 1.00 0.00 H ATOM 383 H LEU A 25 11.649 0.495 -8.831 1.00 0.00 H ATOM 384 N ASP A 26 9.547 3.249 -10.336 1.00 0.08 N ATOM 385 CA ASP A 26 8.560 4.115 -9.706 1.00 0.09 C ATOM 386 C ASP A 26 7.163 3.540 -9.889 1.00 0.09 C ATOM 387 O ASP A 26 6.738 3.263 -11.011 1.00 0.15 O ATOM 388 CB ASP A 26 8.624 5.522 -10.303 1.00 0.10 C ATOM 389 CG ASP A 26 9.350 6.500 -9.400 1.00 0.75 C ATOM 390 OD1 ASP A 26 9.297 6.322 -8.166 1.00 1.20 O ATOM 391 OD2 ASP A 26 9.971 7.447 -9.928 1.00 1.52 O ATOM 392 HA ASP A 26 8.784 4.175 -8.641 1.00 0.00 H ATOM 393 HB2 ASP A 26 9.146 5.474 -11.259 1.00 0.00 H ATOM 394 HB3 ASP A 26 7.607 5.881 -10.463 1.00 0.00 H ATOM 395 H ASP A 26 10.131 3.623 -11.111 1.00 0.00 H ATOM 396 N GLY A 27 6.452 3.354 -8.783 1.00 0.07 N ATOM 397 CA GLY A 27 5.112 2.801 -8.856 1.00 0.07 C ATOM 398 C GLY A 27 5.051 1.388 -8.317 1.00 0.08 C ATOM 399 O GLY A 27 3.980 0.772 -8.276 1.00 0.10 O ATOM 400 HA3 GLY A 27 4.790 2.795 -9.897 1.00 0.00 H ATOM 401 HA2 GLY A 27 4.439 3.430 -8.273 1.00 0.00 H ATOM 402 H GLY A 27 6.858 3.606 -7.859 1.00 0.00 H ATOM 403 N SER A 28 6.207 0.879 -7.897 1.00 0.08 N ATOM 404 CA SER A 28 6.301 -0.464 -7.342 1.00 0.09 C ATOM 405 C SER A 28 5.713 -0.487 -5.939 1.00 0.10 C ATOM 406 O SER A 28 6.062 0.342 -5.098 1.00 0.18 O ATOM 407 CB SER A 28 7.759 -0.926 -7.309 1.00 0.12 C ATOM 408 OG SER A 28 8.048 -1.784 -8.399 1.00 0.23 O ATOM 409 HA SER A 28 5.735 -1.146 -7.976 1.00 0.00 H ATOM 410 HB2 SER A 28 7.942 -1.460 -6.377 1.00 0.00 H ATOM 411 HB3 SER A 28 8.410 -0.053 -7.360 1.00 0.00 H ATOM 412 HG SER A 28 7.462 -2.581 -8.355 1.00 0.00 H ATOM 413 H SER A 28 7.068 1.457 -7.967 1.00 0.00 H ATOM 414 N TYR A 29 4.808 -1.425 -5.691 1.00 0.07 N ATOM 415 CA TYR A 29 4.166 -1.529 -4.390 1.00 0.07 C ATOM 416 C TYR A 29 4.259 -2.942 -3.828 1.00 0.07 C ATOM 417 O TYR A 29 4.532 -3.896 -4.555 1.00 0.09 O ATOM 418 CB TYR A 29 2.697 -1.119 -4.501 1.00 0.07 C ATOM 419 CG TYR A 29 1.799 -2.224 -5.016 1.00 0.08 C ATOM 420 CD1 TYR A 29 1.723 -2.508 -6.374 1.00 0.11 C ATOM 421 CD2 TYR A 29 1.035 -2.988 -4.142 1.00 0.10 C ATOM 422 CE1 TYR A 29 0.910 -3.521 -6.846 1.00 0.13 C ATOM 423 CE2 TYR A 29 0.220 -4.002 -4.606 1.00 0.12 C ATOM 424 CZ TYR A 29 0.161 -4.264 -5.958 1.00 0.13 C ATOM 425 OH TYR A 29 -0.649 -5.275 -6.422 1.00 0.16 O ATOM 426 HA TYR A 29 4.689 -0.859 -3.708 1.00 0.00 H ATOM 427 HB3 TYR A 29 2.626 -0.271 -5.182 1.00 0.00 H ATOM 428 HB2 TYR A 29 2.346 -0.821 -3.513 1.00 0.00 H ATOM 429 HD2 TYR A 29 1.080 -2.784 -3.072 1.00 0.00 H ATOM 430 HE2 TYR A 29 -0.373 -4.592 -3.907 1.00 0.00 H ATOM 431 HE1 TYR A 29 0.861 -3.732 -7.914 1.00 0.00 H ATOM 432 HD1 TYR A 29 2.314 -1.923 -7.078 1.00 0.00 H ATOM 433 HH TYR A 29 -0.575 -5.330 -7.408 1.00 0.00 H ATOM 434 H TYR A 29 4.553 -2.099 -6.441 1.00 0.00 H ATOM 435 N LEU A 30 4.004 -3.066 -2.529 1.00 0.07 N ATOM 436 CA LEU A 30 4.029 -4.364 -1.866 1.00 0.08 C ATOM 437 C LEU A 30 3.073 -4.388 -0.680 1.00 0.09 C ATOM 438 O LEU A 30 2.704 -3.341 -0.144 1.00 0.14 O ATOM 439 CB LEU A 30 5.446 -4.726 -1.410 1.00 0.10 C ATOM 440 CG LEU A 30 6.163 -3.676 -0.557 1.00 0.13 C ATOM 441 CD1 LEU A 30 5.674 -3.720 0.884 1.00 0.23 C ATOM 442 CD2 LEU A 30 7.667 -3.897 -0.609 1.00 0.15 C ATOM 443 HA LEU A 30 3.702 -5.109 -2.591 1.00 0.00 H ATOM 444 HB2 LEU A 30 5.385 -5.645 -0.827 1.00 0.00 H ATOM 445 HB3 LEU A 30 6.049 -4.902 -2.301 1.00 0.00 H ATOM 446 HG LEU A 30 5.935 -2.691 -0.964 1.00 0.00 H ATOM 447 HD21 LEU A 30 7.900 -4.890 -0.225 1.00 0.00 H ATOM 448 HD22 LEU A 30 8.010 -3.815 -1.641 1.00 0.00 H ATOM 449 HD23 LEU A 30 8.165 -3.144 0.002 1.00 0.00 H ATOM 450 HD11 LEU A 30 4.603 -3.520 0.909 1.00 0.00 H ATOM 451 HD12 LEU A 30 5.871 -4.707 1.303 1.00 0.00 H ATOM 452 HD13 LEU A 30 6.199 -2.964 1.468 1.00 0.00 H ATOM 453 H LEU A 30 3.781 -2.216 -1.972 1.00 0.00 H ATOM 454 N LEU A 31 2.675 -5.590 -0.275 1.00 0.08 N ATOM 455 CA LEU A 31 1.762 -5.759 0.847 1.00 0.08 C ATOM 456 C LEU A 31 2.483 -6.368 2.044 1.00 0.08 C ATOM 457 O LEU A 31 2.817 -7.553 2.042 1.00 0.17 O ATOM 458 CB LEU A 31 0.588 -6.652 0.440 1.00 0.10 C ATOM 459 CG LEU A 31 -0.707 -5.911 0.087 1.00 0.12 C ATOM 460 CD1 LEU A 31 -1.227 -5.139 1.291 1.00 0.17 C ATOM 461 CD2 LEU A 31 -0.483 -4.977 -1.094 1.00 0.16 C ATOM 462 HA LEU A 31 1.385 -4.777 1.132 1.00 0.00 H ATOM 463 HB2 LEU A 31 0.892 -7.233 -0.431 1.00 0.00 H ATOM 464 HB3 LEU A 31 0.375 -7.327 1.269 1.00 0.00 H ATOM 465 HG LEU A 31 -1.458 -6.648 -0.197 1.00 0.00 H ATOM 466 HD21 LEU A 31 0.284 -4.247 -0.838 1.00 0.00 H ATOM 467 HD22 LEU A 31 -0.160 -5.557 -1.958 1.00 0.00 H ATOM 468 HD23 LEU A 31 -1.414 -4.461 -1.329 1.00 0.00 H ATOM 469 HD11 LEU A 31 -1.428 -5.833 2.107 1.00 0.00 H ATOM 470 HD12 LEU A 31 -0.478 -4.412 1.606 1.00 0.00 H ATOM 471 HD13 LEU A 31 -2.146 -4.620 1.019 1.00 0.00 H ATOM 472 H LEU A 31 3.025 -6.433 -0.773 1.00 0.00 H ATOM 473 N ARG A 32 2.720 -5.550 3.065 1.00 0.11 N ATOM 474 CA ARG A 32 3.402 -6.013 4.269 1.00 0.11 C ATOM 475 C ARG A 32 2.534 -5.796 5.503 1.00 0.13 C ATOM 476 O ARG A 32 1.749 -4.850 5.566 1.00 0.15 O ATOM 477 CB ARG A 32 4.738 -5.286 4.436 1.00 0.12 C ATOM 478 CG ARG A 32 4.601 -3.777 4.554 1.00 0.12 C ATOM 479 CD ARG A 32 5.849 -3.152 5.155 1.00 0.14 C ATOM 480 NE ARG A 32 6.489 -2.217 4.235 1.00 0.18 N ATOM 481 CZ ARG A 32 6.981 -1.039 4.606 1.00 0.20 C ATOM 482 NH1 ARG A 32 6.913 -0.659 5.875 1.00 0.29 N ATOM 483 NH2 ARG A 32 7.542 -0.241 3.708 1.00 0.28 N ATOM 484 HA ARG A 32 3.589 -7.081 4.162 1.00 0.00 H ATOM 485 HB2 ARG A 32 5.223 -5.659 5.338 1.00 0.00 H ATOM 486 HB3 ARG A 32 5.362 -5.509 3.570 1.00 0.00 H ATOM 487 HG2 ARG A 32 4.436 -3.357 3.562 1.00 0.00 H ATOM 488 HG3 ARG A 32 3.747 -3.547 5.191 1.00 0.00 H ATOM 489 HD2 ARG A 32 6.556 -3.944 5.401 1.00 0.00 H ATOM 490 HD3 ARG A 32 5.573 -2.618 6.064 1.00 0.00 H ATOM 491 HE ARG A 32 6.564 -2.487 3.234 1.00 0.00 H ATOM 492 HH12 ARG A 32 7.298 0.263 6.163 1.00 0.00 H ATOM 493 HH11 ARG A 32 6.474 -1.283 6.582 1.00 0.00 H ATOM 494 HH22 ARG A 32 7.927 0.680 3.999 1.00 0.00 H ATOM 495 HH21 ARG A 32 7.597 -0.536 2.712 1.00 0.00 H ATOM 496 H ARG A 32 2.413 -4.558 3.004 1.00 0.00 H ATOM 497 N ASP A 33 2.684 -6.681 6.483 1.00 0.15 N ATOM 498 CA ASP A 33 1.918 -6.590 7.721 1.00 0.18 C ATOM 499 C ASP A 33 2.415 -5.435 8.582 1.00 0.20 C ATOM 500 O ASP A 33 3.621 -5.228 8.725 1.00 0.26 O ATOM 501 CB ASP A 33 2.015 -7.902 8.501 1.00 0.24 C ATOM 502 CG ASP A 33 0.871 -8.080 9.480 1.00 0.37 C ATOM 503 OD1 ASP A 33 -0.279 -7.764 9.111 1.00 0.63 O ATOM 504 OD2 ASP A 33 1.126 -8.533 10.615 1.00 0.78 O ATOM 505 HA ASP A 33 0.875 -6.405 7.463 1.00 0.00 H ATOM 506 HB2 ASP A 33 2.003 -8.731 7.794 1.00 0.00 H ATOM 507 HB3 ASP A 33 2.954 -7.912 9.054 1.00 0.00 H ATOM 508 H ASP A 33 3.365 -7.458 6.364 1.00 0.00 H ATOM 509 N SER A 34 1.479 -4.685 9.154 1.00 0.20 N ATOM 510 CA SER A 34 1.820 -3.549 10.002 1.00 0.24 C ATOM 511 C SER A 34 2.491 -4.013 11.291 1.00 0.29 C ATOM 512 O SER A 34 1.929 -4.808 12.044 1.00 0.31 O ATOM 513 CB SER A 34 0.566 -2.740 10.334 1.00 0.26 C ATOM 514 OG SER A 34 0.887 -1.590 11.096 1.00 0.31 O ATOM 515 HA SER A 34 2.520 -2.918 9.455 1.00 0.00 H ATOM 516 HB2 SER A 34 -0.120 -3.365 10.905 1.00 0.00 H ATOM 517 HB3 SER A 34 0.086 -2.430 9.406 1.00 0.00 H ATOM 518 HG SER A 34 0.059 -1.086 11.296 1.00 0.00 H ATOM 519 H SER A 34 0.477 -4.914 8.993 1.00 0.00 H ATOM 520 N GLU A 35 3.696 -3.507 11.537 1.00 0.33 N ATOM 521 CA GLU A 35 4.446 -3.866 12.735 1.00 0.39 C ATOM 522 C GLU A 35 4.014 -3.010 13.921 1.00 0.41 C ATOM 523 O GLU A 35 4.698 -2.955 14.943 1.00 0.45 O ATOM 524 CB GLU A 35 5.947 -3.700 12.492 1.00 0.44 C ATOM 525 CG GLU A 35 6.757 -4.944 12.820 1.00 0.52 C ATOM 526 CD GLU A 35 7.956 -5.115 11.910 1.00 0.98 C ATOM 527 OE1 GLU A 35 8.734 -4.148 11.763 1.00 1.41 O ATOM 528 OE2 GLU A 35 8.119 -6.216 11.343 1.00 1.61 O ATOM 529 HA GLU A 35 4.236 -4.910 12.966 1.00 0.00 H ATOM 530 HB2 GLU A 35 6.101 -3.455 11.441 1.00 0.00 H ATOM 531 HB3 GLU A 35 6.308 -2.880 13.112 1.00 0.00 H ATOM 532 HG2 GLU A 35 7.107 -4.871 13.850 1.00 0.00 H ATOM 533 HG3 GLU A 35 6.113 -5.817 12.717 1.00 0.00 H ATOM 534 H GLU A 35 4.114 -2.839 10.858 1.00 0.00 H ATOM 535 N SER A 36 2.871 -2.345 13.778 1.00 0.39 N ATOM 536 CA SER A 36 2.343 -1.492 14.836 1.00 0.43 C ATOM 537 C SER A 36 0.867 -1.785 15.083 1.00 0.38 C ATOM 538 O SER A 36 0.380 -1.663 16.208 1.00 0.41 O ATOM 539 CB SER A 36 2.528 -0.018 14.470 1.00 0.46 C ATOM 540 OG SER A 36 2.393 0.812 15.611 1.00 1.23 O ATOM 541 HA SER A 36 2.896 -1.704 15.751 1.00 0.00 H ATOM 542 HB2 SER A 36 1.775 0.263 13.734 1.00 0.00 H ATOM 543 HB3 SER A 36 3.521 0.121 14.044 1.00 0.00 H ATOM 544 HG SER A 36 2.517 1.758 15.346 1.00 0.00 H ATOM 545 H SER A 36 2.340 -2.436 12.888 1.00 0.00 H ATOM 546 N VAL A 37 0.161 -2.172 14.026 1.00 0.33 N ATOM 547 CA VAL A 37 -1.260 -2.481 14.128 1.00 0.31 C ATOM 548 C VAL A 37 -1.561 -3.867 13.561 1.00 0.29 C ATOM 549 O VAL A 37 -1.645 -4.043 12.346 1.00 0.26 O ATOM 550 CB VAL A 37 -2.121 -1.441 13.384 1.00 0.30 C ATOM 551 CG1 VAL A 37 -3.513 -1.367 13.993 1.00 0.35 C ATOM 552 CG2 VAL A 37 -1.450 -0.075 13.402 1.00 0.40 C ATOM 553 HA VAL A 37 -1.512 -2.457 15.188 1.00 0.00 H ATOM 554 HB VAL A 37 -2.219 -1.756 12.345 1.00 0.00 H ATOM 555 HG11 VAL A 37 -3.993 -2.343 13.919 1.00 0.00 H ATOM 556 HG12 VAL A 37 -3.435 -1.078 15.041 1.00 0.00 H ATOM 557 HG13 VAL A 37 -4.105 -0.627 13.454 1.00 0.00 H ATOM 558 HG21 VAL A 37 -1.318 0.250 14.434 1.00 0.00 H ATOM 559 HG22 VAL A 37 -0.478 -0.143 12.914 1.00 0.00 H ATOM 560 HG23 VAL A 37 -2.076 0.643 12.871 1.00 0.00 H ATOM 561 H VAL A 37 0.634 -2.257 13.103 1.00 0.00 H ATOM 562 N PRO A 38 -1.731 -4.876 14.438 1.00 0.34 N ATOM 563 CA PRO A 38 -2.026 -6.249 14.014 1.00 0.36 C ATOM 564 C PRO A 38 -3.352 -6.350 13.268 1.00 0.35 C ATOM 565 O PRO A 38 -4.303 -5.631 13.573 1.00 0.40 O ATOM 566 CB PRO A 38 -2.092 -7.032 15.331 1.00 0.44 C ATOM 567 CG PRO A 38 -2.340 -6.004 16.380 1.00 0.64 C ATOM 568 CD PRO A 38 -1.650 -4.759 15.904 1.00 0.41 C ATOM 569 HA PRO A 38 -1.276 -6.628 13.320 1.00 0.00 H ATOM 570 HD3 PRO A 38 -2.166 -3.866 16.255 1.00 0.00 H ATOM 571 HD2 PRO A 38 -0.613 -4.733 16.239 1.00 0.00 H ATOM 572 HG3 PRO A 38 -1.925 -6.327 17.334 1.00 0.00 H ATOM 573 HG2 PRO A 38 -3.410 -5.826 16.492 1.00 0.00 H ATOM 574 HB2 PRO A 38 -2.905 -7.757 15.305 1.00 0.00 H ATOM 575 HB3 PRO A 38 -1.151 -7.550 15.517 1.00 0.00 H ATOM 576 N GLY A 39 -3.407 -7.249 12.289 1.00 0.33 N ATOM 577 CA GLY A 39 -4.621 -7.430 11.513 1.00 0.32 C ATOM 578 C GLY A 39 -4.794 -6.362 10.450 1.00 0.30 C ATOM 579 O GLY A 39 -5.803 -6.336 9.745 1.00 0.46 O ATOM 580 HA3 GLY A 39 -5.476 -7.394 12.188 1.00 0.00 H ATOM 581 HA2 GLY A 39 -4.584 -8.405 11.027 1.00 0.00 H ATOM 582 H GLY A 39 -2.570 -7.829 12.077 1.00 0.00 H ATOM 583 N VAL A 40 -3.808 -5.477 10.337 1.00 0.17 N ATOM 584 CA VAL A 40 -3.853 -4.398 9.357 1.00 0.14 C ATOM 585 C VAL A 40 -2.683 -4.494 8.379 1.00 0.14 C ATOM 586 O VAL A 40 -1.540 -4.711 8.783 1.00 0.19 O ATOM 587 CB VAL A 40 -3.830 -3.021 10.049 1.00 0.16 C ATOM 588 CG1 VAL A 40 -3.696 -1.901 9.028 1.00 0.16 C ATOM 589 CG2 VAL A 40 -5.080 -2.831 10.894 1.00 0.18 C ATOM 590 HA VAL A 40 -4.786 -4.502 8.804 1.00 0.00 H ATOM 591 HB VAL A 40 -2.960 -2.983 10.705 1.00 0.00 H ATOM 592 HG11 VAL A 40 -2.768 -2.029 8.470 1.00 0.00 H ATOM 593 HG12 VAL A 40 -4.542 -1.934 8.341 1.00 0.00 H ATOM 594 HG13 VAL A 40 -3.682 -0.941 9.544 1.00 0.00 H ATOM 595 HG21 VAL A 40 -5.961 -2.893 10.256 1.00 0.00 H ATOM 596 HG22 VAL A 40 -5.125 -3.610 11.655 1.00 0.00 H ATOM 597 HG23 VAL A 40 -5.047 -1.853 11.375 1.00 0.00 H ATOM 598 H VAL A 40 -2.982 -5.556 10.964 1.00 0.00 H ATOM 599 N TYR A 41 -2.980 -4.329 7.093 1.00 0.10 N ATOM 600 CA TYR A 41 -1.957 -4.395 6.053 1.00 0.10 C ATOM 601 C TYR A 41 -1.417 -3.005 5.741 1.00 0.07 C ATOM 602 O TYR A 41 -1.965 -1.999 6.192 1.00 0.08 O ATOM 603 CB TYR A 41 -2.522 -5.028 4.779 1.00 0.13 C ATOM 604 CG TYR A 41 -3.406 -6.228 5.035 1.00 0.13 C ATOM 605 CD1 TYR A 41 -4.740 -6.067 5.383 1.00 0.12 C ATOM 606 CD2 TYR A 41 -2.907 -7.520 4.926 1.00 0.21 C ATOM 607 CE1 TYR A 41 -5.552 -7.160 5.617 1.00 0.15 C ATOM 608 CE2 TYR A 41 -3.712 -8.618 5.158 1.00 0.24 C ATOM 609 CZ TYR A 41 -5.035 -8.433 5.504 1.00 0.20 C ATOM 610 OH TYR A 41 -5.840 -9.524 5.734 1.00 0.25 O ATOM 611 HA TYR A 41 -1.141 -5.016 6.424 1.00 0.00 H ATOM 612 HB3 TYR A 41 -1.688 -5.343 4.152 1.00 0.00 H ATOM 613 HB2 TYR A 41 -3.108 -4.275 4.251 1.00 0.00 H ATOM 614 HD2 TYR A 41 -1.862 -7.670 4.653 1.00 0.00 H ATOM 615 HE2 TYR A 41 -3.305 -9.625 5.068 1.00 0.00 H ATOM 616 HE1 TYR A 41 -6.597 -7.016 5.890 1.00 0.00 H ATOM 617 HD1 TYR A 41 -5.153 -5.062 5.473 1.00 0.00 H ATOM 618 HH TYR A 41 -6.751 -9.217 5.969 1.00 0.00 H ATOM 619 H TYR A 41 -3.967 -4.148 6.821 1.00 0.00 H ATOM 620 N CYS A 42 -0.336 -2.953 4.969 1.00 0.07 N ATOM 621 CA CYS A 42 0.274 -1.681 4.602 1.00 0.08 C ATOM 622 C CYS A 42 0.826 -1.721 3.182 1.00 0.07 C ATOM 623 O CYS A 42 1.809 -2.409 2.907 1.00 0.07 O ATOM 624 CB CYS A 42 1.392 -1.326 5.582 1.00 0.12 C ATOM 625 SG CYS A 42 0.829 -0.456 7.064 1.00 0.28 S ATOM 626 HA CYS A 42 -0.501 -0.916 4.647 1.00 0.00 H ATOM 627 HB2 CYS A 42 2.112 -0.691 5.065 1.00 0.00 H ATOM 628 HB3 CYS A 42 1.881 -2.249 5.892 1.00 0.00 H ATOM 629 HG CYS A 42 -0.072 -1.248 7.746 1.00 0.00 H ATOM 630 H CYS A 42 0.083 -3.838 4.620 1.00 0.00 H ATOM 631 N LEU A 43 0.196 -0.968 2.285 1.00 0.08 N ATOM 632 CA LEU A 43 0.633 -0.904 0.897 1.00 0.07 C ATOM 633 C LEU A 43 1.600 0.261 0.713 1.00 0.07 C ATOM 634 O LEU A 43 1.253 1.409 0.990 1.00 0.08 O ATOM 635 CB LEU A 43 -0.571 -0.742 -0.035 1.00 0.10 C ATOM 636 CG LEU A 43 -0.233 -0.622 -1.524 1.00 0.08 C ATOM 637 CD1 LEU A 43 -1.320 -1.261 -2.370 1.00 0.10 C ATOM 638 CD2 LEU A 43 -0.045 0.836 -1.915 1.00 0.08 C ATOM 639 HA LEU A 43 1.143 -1.834 0.645 1.00 0.00 H ATOM 640 HB2 LEU A 43 -1.218 -1.610 0.095 1.00 0.00 H ATOM 641 HB3 LEU A 43 -1.109 0.158 0.262 1.00 0.00 H ATOM 642 HG LEU A 43 0.703 -1.151 -1.706 1.00 0.00 H ATOM 643 HD21 LEU A 43 -0.965 1.386 -1.716 1.00 0.00 H ATOM 644 HD22 LEU A 43 0.770 1.265 -1.332 1.00 0.00 H ATOM 645 HD23 LEU A 43 0.194 0.898 -2.977 1.00 0.00 H ATOM 646 HD11 LEU A 43 -1.408 -2.316 -2.110 1.00 0.00 H ATOM 647 HD12 LEU A 43 -2.269 -0.759 -2.180 1.00 0.00 H ATOM 648 HD13 LEU A 43 -1.061 -1.165 -3.425 1.00 0.00 H ATOM 649 H LEU A 43 -0.630 -0.410 2.582 1.00 0.00 H ATOM 650 N CYS A 44 2.817 -0.036 0.267 1.00 0.06 N ATOM 651 CA CYS A 44 3.821 1.006 0.080 1.00 0.07 C ATOM 652 C CYS A 44 4.280 1.113 -1.372 1.00 0.07 C ATOM 653 O CYS A 44 4.625 0.116 -2.004 1.00 0.10 O ATOM 654 CB CYS A 44 5.024 0.742 0.985 1.00 0.09 C ATOM 655 SG CYS A 44 4.797 -0.638 2.131 1.00 0.18 S ATOM 656 HA CYS A 44 3.357 1.955 0.348 1.00 0.00 H ATOM 657 HB2 CYS A 44 5.219 1.643 1.567 1.00 0.00 H ATOM 658 HB3 CYS A 44 5.886 0.525 0.354 1.00 0.00 H ATOM 659 HG CYS A 44 5.935 -0.790 2.897 1.00 0.00 H ATOM 660 H CYS A 44 3.056 -1.024 0.049 1.00 0.00 H ATOM 661 N VAL A 45 4.301 2.346 -1.876 1.00 0.06 N ATOM 662 CA VAL A 45 4.737 2.634 -3.241 1.00 0.06 C ATOM 663 C VAL A 45 6.005 3.483 -3.205 1.00 0.06 C ATOM 664 O VAL A 45 6.047 4.515 -2.536 1.00 0.07 O ATOM 665 CB VAL A 45 3.650 3.381 -4.041 1.00 0.07 C ATOM 666 CG1 VAL A 45 3.459 2.738 -5.406 1.00 0.08 C ATOM 667 CG2 VAL A 45 2.335 3.410 -3.277 1.00 0.07 C ATOM 668 HA VAL A 45 4.931 1.683 -3.736 1.00 0.00 H ATOM 669 HB VAL A 45 3.981 4.410 -4.184 1.00 0.00 H ATOM 670 HG11 VAL A 45 4.397 2.777 -5.959 1.00 0.00 H ATOM 671 HG12 VAL A 45 3.155 1.699 -5.278 1.00 0.00 H ATOM 672 HG13 VAL A 45 2.689 3.278 -5.956 1.00 0.00 H ATOM 673 HG21 VAL A 45 1.998 2.389 -3.097 1.00 0.00 H ATOM 674 HG22 VAL A 45 2.481 3.919 -2.324 1.00 0.00 H ATOM 675 HG23 VAL A 45 1.587 3.943 -3.864 1.00 0.00 H ATOM 676 H VAL A 45 3.995 3.136 -1.273 1.00 0.00 H ATOM 677 N LEU A 46 7.042 3.040 -3.910 1.00 0.06 N ATOM 678 CA LEU A 46 8.311 3.764 -3.928 1.00 0.06 C ATOM 679 C LEU A 46 8.280 4.914 -4.927 1.00 0.06 C ATOM 680 O LEU A 46 8.120 4.700 -6.133 1.00 0.07 O ATOM 681 CB LEU A 46 9.466 2.817 -4.262 1.00 0.07 C ATOM 682 CG LEU A 46 10.797 3.509 -4.572 1.00 0.09 C ATOM 683 CD1 LEU A 46 11.454 4.001 -3.292 1.00 0.17 C ATOM 684 CD2 LEU A 46 11.724 2.570 -5.323 1.00 0.12 C ATOM 685 HA LEU A 46 8.466 4.179 -2.932 1.00 0.00 H ATOM 686 HB2 LEU A 46 9.619 2.155 -3.410 1.00 0.00 H ATOM 687 HB3 LEU A 46 9.180 2.227 -5.133 1.00 0.00 H ATOM 688 HG LEU A 46 10.596 4.372 -5.207 1.00 0.00 H ATOM 689 HD21 LEU A 46 11.917 1.688 -4.713 1.00 0.00 H ATOM 690 HD22 LEU A 46 11.254 2.270 -6.260 1.00 0.00 H ATOM 691 HD23 LEU A 46 12.664 3.081 -5.534 1.00 0.00 H ATOM 692 HD11 LEU A 46 10.793 4.711 -2.796 1.00 0.00 H ATOM 693 HD12 LEU A 46 11.641 3.154 -2.632 1.00 0.00 H ATOM 694 HD13 LEU A 46 12.398 4.489 -3.534 1.00 0.00 H ATOM 695 H LEU A 46 6.948 2.162 -4.459 1.00 0.00 H ATOM 696 N TYR A 47 8.441 6.134 -4.410 1.00 0.07 N ATOM 697 CA TYR A 47 8.441 7.332 -5.242 1.00 0.08 C ATOM 698 C TYR A 47 9.348 8.411 -4.658 1.00 0.10 C ATOM 699 O TYR A 47 9.284 8.713 -3.467 1.00 0.11 O ATOM 700 CB TYR A 47 7.019 7.874 -5.400 1.00 0.08 C ATOM 701 CG TYR A 47 6.477 7.691 -6.793 1.00 0.08 C ATOM 702 CD1 TYR A 47 6.130 6.432 -7.250 1.00 0.08 C ATOM 703 CD2 TYR A 47 6.326 8.769 -7.654 1.00 0.10 C ATOM 704 CE1 TYR A 47 5.647 6.241 -8.524 1.00 0.09 C ATOM 705 CE2 TYR A 47 5.840 8.592 -8.934 1.00 0.11 C ATOM 706 CZ TYR A 47 5.503 7.326 -9.366 1.00 0.10 C ATOM 707 OH TYR A 47 5.029 7.146 -10.645 1.00 0.11 O ATOM 708 HA TYR A 47 8.828 7.055 -6.223 1.00 0.00 H ATOM 709 HB3 TYR A 47 7.023 8.938 -5.165 1.00 0.00 H ATOM 710 HB2 TYR A 47 6.367 7.351 -4.701 1.00 0.00 H ATOM 711 HD2 TYR A 47 6.595 9.769 -7.315 1.00 0.00 H ATOM 712 HE2 TYR A 47 5.723 9.447 -9.599 1.00 0.00 H ATOM 713 HE1 TYR A 47 5.380 5.241 -8.866 1.00 0.00 H ATOM 714 HD1 TYR A 47 6.242 5.574 -6.587 1.00 0.00 H ATOM 715 HH TYR A 47 4.837 6.186 -10.792 1.00 0.00 H ATOM 716 H TYR A 47 8.570 6.233 -3.383 1.00 0.00 H ATOM 717 N HIS A 48 10.190 8.989 -5.512 1.00 0.17 N ATOM 718 CA HIS A 48 11.116 10.041 -5.097 1.00 0.21 C ATOM 719 C HIS A 48 12.060 9.543 -4.007 1.00 0.17 C ATOM 720 O HIS A 48 12.478 10.308 -3.137 1.00 0.18 O ATOM 721 CB HIS A 48 10.345 11.267 -4.603 1.00 0.24 C ATOM 722 CG HIS A 48 9.888 12.170 -5.706 1.00 0.56 C ATOM 723 ND1 HIS A 48 10.751 12.944 -6.453 1.00 1.19 N ATOM 724 CD2 HIS A 48 8.647 12.420 -6.190 1.00 1.46 C ATOM 725 CE1 HIS A 48 10.062 13.632 -7.346 1.00 1.22 C ATOM 726 NE2 HIS A 48 8.784 13.331 -7.208 1.00 1.42 N ATOM 727 HA HIS A 48 11.713 10.323 -5.964 1.00 0.00 H ATOM 728 HB2 HIS A 48 9.469 10.925 -4.052 1.00 0.00 H ATOM 729 HB3 HIS A 48 10.993 11.837 -3.937 1.00 0.00 H ATOM 730 HD2 HIS A 48 7.714 11.980 -5.837 1.00 0.00 H ATOM 731 HE1 HIS A 48 10.478 14.329 -8.073 1.00 0.00 H ATOM 732 H HIS A 48 10.189 8.682 -6.506 1.00 0.00 H ATOM 733 N GLY A 49 12.393 8.256 -4.062 1.00 0.18 N ATOM 734 CA GLY A 49 13.287 7.677 -3.076 1.00 0.20 C ATOM 735 C GLY A 49 12.614 7.460 -1.735 1.00 0.20 C ATOM 736 O GLY A 49 13.160 6.786 -0.862 1.00 0.27 O ATOM 737 HA3 GLY A 49 14.135 8.347 -2.937 1.00 0.00 H ATOM 738 HA2 GLY A 49 13.642 6.716 -3.448 1.00 0.00 H ATOM 739 H GLY A 49 12.008 7.658 -4.821 1.00 0.00 H ATOM 740 N TYR A 50 11.425 8.032 -1.569 1.00 0.17 N ATOM 741 CA TYR A 50 10.680 7.899 -0.324 1.00 0.23 C ATOM 742 C TYR A 50 9.563 6.871 -0.464 1.00 0.26 C ATOM 743 O TYR A 50 8.732 6.962 -1.369 1.00 0.50 O ATOM 744 CB TYR A 50 10.098 9.252 0.091 1.00 0.26 C ATOM 745 CG TYR A 50 11.142 10.234 0.571 1.00 0.23 C ATOM 746 CD1 TYR A 50 11.662 10.151 1.857 1.00 0.56 C ATOM 747 CD2 TYR A 50 11.608 11.244 -0.261 1.00 0.35 C ATOM 748 CE1 TYR A 50 12.615 11.049 2.300 1.00 0.64 C ATOM 749 CE2 TYR A 50 12.561 12.144 0.175 1.00 0.41 C ATOM 750 CZ TYR A 50 13.064 12.040 1.453 1.00 0.45 C ATOM 751 OH TYR A 50 14.010 12.938 1.893 1.00 0.60 O ATOM 752 HA TYR A 50 11.368 7.555 0.448 1.00 0.00 H ATOM 753 HB3 TYR A 50 9.382 9.088 0.896 1.00 0.00 H ATOM 754 HB2 TYR A 50 9.585 9.685 -0.767 1.00 0.00 H ATOM 755 HD2 TYR A 50 11.215 11.328 -1.274 1.00 0.00 H ATOM 756 HE2 TYR A 50 12.913 12.933 -0.489 1.00 0.00 H ATOM 757 HE1 TYR A 50 13.009 10.974 3.313 1.00 0.00 H ATOM 758 HD1 TYR A 50 11.313 9.365 2.527 1.00 0.00 H ATOM 759 HH TYR A 50 14.260 12.721 2.826 1.00 0.00 H ATOM 760 H TYR A 50 11.017 8.588 -2.347 1.00 0.00 H ATOM 761 N ILE A 51 9.549 5.895 0.437 1.00 0.09 N ATOM 762 CA ILE A 51 8.533 4.848 0.414 1.00 0.09 C ATOM 763 C ILE A 51 7.258 5.313 1.116 1.00 0.10 C ATOM 764 O ILE A 51 7.217 5.424 2.342 1.00 0.16 O ATOM 765 CB ILE A 51 9.045 3.552 1.084 1.00 0.11 C ATOM 766 CG1 ILE A 51 10.085 2.861 0.198 1.00 0.11 C ATOM 767 CG2 ILE A 51 7.891 2.603 1.376 1.00 0.14 C ATOM 768 CD1 ILE A 51 11.472 3.457 0.316 1.00 0.14 C ATOM 769 HA ILE A 51 8.311 4.637 -0.632 1.00 0.00 H ATOM 770 HB ILE A 51 9.517 3.824 2.028 1.00 0.00 H ATOM 771 HG12 ILE A 51 10.136 1.810 0.481 1.00 0.00 H ATOM 772 HG13 ILE A 51 9.762 2.941 -0.840 1.00 0.00 H ATOM 773 HD11 ILE A 51 11.441 4.507 0.025 1.00 0.00 H ATOM 774 HD12 ILE A 51 11.815 3.375 1.347 1.00 0.00 H ATOM 775 HD13 ILE A 51 12.155 2.917 -0.340 1.00 0.00 H ATOM 776 HG21 ILE A 51 7.183 3.090 2.046 1.00 0.00 H ATOM 777 HG22 ILE A 51 7.391 2.343 0.443 1.00 0.00 H ATOM 778 HG23 ILE A 51 8.276 1.699 1.847 1.00 0.00 H ATOM 779 H ILE A 51 10.280 5.877 1.177 1.00 0.00 H ATOM 780 N TYR A 52 6.221 5.583 0.328 1.00 0.09 N ATOM 781 CA TYR A 52 4.943 6.036 0.871 1.00 0.10 C ATOM 782 C TYR A 52 4.129 4.857 1.396 1.00 0.11 C ATOM 783 O TYR A 52 3.694 4.001 0.626 1.00 0.19 O ATOM 784 CB TYR A 52 4.145 6.781 -0.202 1.00 0.12 C ATOM 785 CG TYR A 52 4.582 8.215 -0.402 1.00 0.16 C ATOM 786 CD1 TYR A 52 4.080 9.232 0.399 1.00 0.48 C ATOM 787 CD2 TYR A 52 5.497 8.550 -1.392 1.00 0.52 C ATOM 788 CE1 TYR A 52 4.476 10.544 0.218 1.00 0.52 C ATOM 789 CE2 TYR A 52 5.899 9.859 -1.578 1.00 0.56 C ATOM 790 CZ TYR A 52 5.386 10.852 -0.772 1.00 0.33 C ATOM 791 OH TYR A 52 5.782 12.157 -0.954 1.00 0.42 O ATOM 792 HA TYR A 52 5.147 6.714 1.700 1.00 0.00 H ATOM 793 HB3 TYR A 52 3.094 6.779 0.087 1.00 0.00 H ATOM 794 HB2 TYR A 52 4.261 6.251 -1.147 1.00 0.00 H ATOM 795 HD2 TYR A 52 5.904 7.768 -2.032 1.00 0.00 H ATOM 796 HE2 TYR A 52 6.619 10.105 -2.359 1.00 0.00 H ATOM 797 HE1 TYR A 52 4.071 11.331 0.854 1.00 0.00 H ATOM 798 HD1 TYR A 52 3.362 8.992 1.183 1.00 0.00 H ATOM 799 HH TYR A 52 5.321 12.735 -0.296 1.00 0.00 H ATOM 800 H TYR A 52 6.323 5.469 -0.701 1.00 0.00 H ATOM 801 N THR A 53 3.931 4.818 2.709 1.00 0.11 N ATOM 802 CA THR A 53 3.173 3.742 3.338 1.00 0.12 C ATOM 803 C THR A 53 1.715 4.137 3.554 1.00 0.11 C ATOM 804 O THR A 53 1.419 5.246 4.001 1.00 0.12 O ATOM 805 CB THR A 53 3.789 3.343 4.692 1.00 0.16 C ATOM 806 OG1 THR A 53 5.197 3.120 4.542 1.00 0.20 O ATOM 807 CG2 THR A 53 3.131 2.086 5.240 1.00 0.19 C ATOM 808 HA THR A 53 3.214 2.891 2.658 1.00 0.00 H ATOM 809 HB THR A 53 3.620 4.158 5.395 1.00 0.00 H ATOM 810 HG1 THR A 53 5.584 2.864 5.416 1.00 0.00 H ATOM 811 HG23 THR A 53 2.061 2.258 5.353 1.00 0.00 H ATOM 812 HG21 THR A 53 3.297 1.260 4.549 1.00 0.00 H ATOM 813 HG22 THR A 53 3.566 1.843 6.209 1.00 0.00 H ATOM 814 H THR A 53 4.327 5.574 3.304 1.00 0.00 H ATOM 815 N TYR A 54 0.808 3.217 3.235 1.00 0.10 N ATOM 816 CA TYR A 54 -0.623 3.455 3.395 1.00 0.11 C ATOM 817 C TYR A 54 -1.276 2.304 4.156 1.00 0.12 C ATOM 818 O TYR A 54 -1.109 1.139 3.797 1.00 0.19 O ATOM 819 CB TYR A 54 -1.291 3.628 2.028 1.00 0.13 C ATOM 820 CG TYR A 54 -0.699 4.747 1.199 1.00 0.13 C ATOM 821 CD1 TYR A 54 -1.006 6.075 1.469 1.00 0.18 C ATOM 822 CD2 TYR A 54 0.167 4.476 0.147 1.00 0.17 C ATOM 823 CE1 TYR A 54 -0.468 7.100 0.713 1.00 0.22 C ATOM 824 CE2 TYR A 54 0.708 5.494 -0.613 1.00 0.20 C ATOM 825 CZ TYR A 54 0.388 6.804 -0.325 1.00 0.21 C ATOM 826 OH TYR A 54 0.927 7.822 -1.080 1.00 0.26 O ATOM 827 HA TYR A 54 -0.756 4.372 3.969 1.00 0.00 H ATOM 828 HB3 TYR A 54 -2.349 3.839 2.186 1.00 0.00 H ATOM 829 HB2 TYR A 54 -1.186 2.696 1.473 1.00 0.00 H ATOM 830 HD2 TYR A 54 0.424 3.442 -0.082 1.00 0.00 H ATOM 831 HE2 TYR A 54 1.384 5.263 -1.436 1.00 0.00 H ATOM 832 HE1 TYR A 54 -0.720 8.137 0.937 1.00 0.00 H ATOM 833 HD1 TYR A 54 -1.682 6.313 2.290 1.00 0.00 H ATOM 834 HH TYR A 54 0.597 8.692 -0.742 1.00 0.00 H ATOM 835 H TYR A 54 1.128 2.301 2.861 1.00 0.00 H ATOM 836 N ARG A 55 -2.008 2.638 5.214 1.00 0.11 N ATOM 837 CA ARG A 55 -2.677 1.629 6.032 1.00 0.12 C ATOM 838 C ARG A 55 -3.983 1.171 5.394 1.00 0.12 C ATOM 839 O ARG A 55 -4.826 1.988 5.022 1.00 0.20 O ATOM 840 CB ARG A 55 -2.955 2.183 7.430 1.00 0.15 C ATOM 841 CG ARG A 55 -1.697 2.515 8.215 1.00 0.25 C ATOM 842 CD ARG A 55 -2.029 3.125 9.567 1.00 0.39 C ATOM 843 NE ARG A 55 -2.391 4.536 9.458 1.00 0.68 N ATOM 844 CZ ARG A 55 -1.680 5.526 9.993 1.00 1.08 C ATOM 845 NH1 ARG A 55 -0.573 5.262 10.674 1.00 1.62 N ATOM 846 NH2 ARG A 55 -2.079 6.782 9.848 1.00 1.38 N ATOM 847 HA ARG A 55 -2.012 0.768 6.106 1.00 0.00 H ATOM 848 HB2 ARG A 55 -3.548 3.092 7.329 1.00 0.00 H ATOM 849 HB3 ARG A 55 -3.524 1.440 7.989 1.00 0.00 H ATOM 850 HG2 ARG A 55 -1.124 1.601 8.370 1.00 0.00 H ATOM 851 HG3 ARG A 55 -1.099 3.225 7.643 1.00 0.00 H ATOM 852 HD2 ARG A 55 -1.159 3.034 10.217 1.00 0.00 H ATOM 853 HD3 ARG A 55 -2.866 2.580 10.003 1.00 0.00 H ATOM 854 HE ARG A 55 -3.254 4.781 8.932 1.00 0.00 H ATOM 855 HH12 ARG A 55 -0.021 6.039 11.090 1.00 0.00 H ATOM 856 HH11 ARG A 55 -0.257 4.278 10.792 1.00 0.00 H ATOM 857 HH22 ARG A 55 -1.524 7.556 10.266 1.00 0.00 H ATOM 858 HH21 ARG A 55 -2.947 6.994 9.316 1.00 0.00 H ATOM 859 H ARG A 55 -2.107 3.642 5.466 1.00 0.00 H ATOM 860 N VAL A 56 -4.149 -0.146 5.280 1.00 0.10 N ATOM 861 CA VAL A 56 -5.357 -0.716 4.699 1.00 0.10 C ATOM 862 C VAL A 56 -6.040 -1.651 5.692 1.00 0.11 C ATOM 863 O VAL A 56 -5.493 -2.691 6.057 1.00 0.15 O ATOM 864 CB VAL A 56 -5.053 -1.496 3.406 1.00 0.13 C ATOM 865 CG1 VAL A 56 -6.323 -1.695 2.592 1.00 0.18 C ATOM 866 CG2 VAL A 56 -3.990 -0.780 2.586 1.00 0.14 C ATOM 867 HA VAL A 56 -6.019 0.116 4.458 1.00 0.00 H ATOM 868 HB VAL A 56 -4.666 -2.478 3.678 1.00 0.00 H ATOM 869 HG11 VAL A 56 -7.047 -2.256 3.182 1.00 0.00 H ATOM 870 HG12 VAL A 56 -6.741 -0.723 2.330 1.00 0.00 H ATOM 871 HG13 VAL A 56 -6.087 -2.248 1.683 1.00 0.00 H ATOM 872 HG21 VAL A 56 -4.346 0.216 2.323 1.00 0.00 H ATOM 873 HG22 VAL A 56 -3.075 -0.697 3.173 1.00 0.00 H ATOM 874 HG23 VAL A 56 -3.790 -1.348 1.677 1.00 0.00 H ATOM 875 H VAL A 56 -3.398 -0.783 5.614 1.00 0.00 H ATOM 876 N SER A 57 -7.237 -1.272 6.124 1.00 0.11 N ATOM 877 CA SER A 57 -7.993 -2.076 7.077 1.00 0.15 C ATOM 878 C SER A 57 -9.464 -2.144 6.684 1.00 0.13 C ATOM 879 O SER A 57 -10.010 -1.196 6.119 1.00 0.16 O ATOM 880 CB SER A 57 -7.854 -1.497 8.486 1.00 0.19 C ATOM 881 OG SER A 57 -6.988 -0.376 8.493 1.00 0.66 O ATOM 882 HA SER A 57 -7.587 -3.087 7.066 1.00 0.00 H ATOM 883 HB2 SER A 57 -7.451 -2.263 9.148 1.00 0.00 H ATOM 884 HB3 SER A 57 -8.837 -1.190 8.844 1.00 0.00 H ATOM 885 HG SER A 57 -6.916 -0.022 9.415 1.00 0.00 H ATOM 886 H SER A 57 -7.645 -0.381 5.775 1.00 0.00 H ATOM 887 N GLN A 58 -10.101 -3.272 6.984 1.00 0.13 N ATOM 888 CA GLN A 58 -11.508 -3.465 6.660 1.00 0.13 C ATOM 889 C GLN A 58 -12.404 -2.821 7.713 1.00 0.15 C ATOM 890 O GLN A 58 -12.158 -2.948 8.913 1.00 0.21 O ATOM 891 CB GLN A 58 -11.825 -4.955 6.545 1.00 0.15 C ATOM 892 CG GLN A 58 -12.965 -5.261 5.588 1.00 0.15 C ATOM 893 CD GLN A 58 -13.524 -6.659 5.772 1.00 0.18 C ATOM 894 OE1 GLN A 58 -13.827 -7.351 4.800 1.00 0.20 O ATOM 895 NE2 GLN A 58 -13.662 -7.082 7.022 1.00 0.21 N ATOM 896 HA GLN A 58 -11.704 -2.984 5.702 1.00 0.00 H ATOM 897 HB2 GLN A 58 -10.932 -5.472 6.194 1.00 0.00 H ATOM 898 HB3 GLN A 58 -12.094 -5.328 7.533 1.00 0.00 H ATOM 899 HG2 GLN A 58 -13.765 -4.540 5.756 1.00 0.00 H ATOM 900 HG3 GLN A 58 -12.599 -5.163 4.566 1.00 0.00 H ATOM 901 HE22 GLN A 58 -13.393 -6.463 7.813 1.00 0.00 H ATOM 902 HE21 GLN A 58 -14.039 -8.033 7.211 1.00 0.00 H ATOM 903 H GLN A 58 -9.582 -4.036 7.462 1.00 0.00 H ATOM 904 N THR A 59 -13.443 -2.132 7.255 1.00 0.17 N ATOM 905 CA THR A 59 -14.379 -1.467 8.153 1.00 0.20 C ATOM 906 C THR A 59 -15.285 -2.476 8.848 1.00 0.24 C ATOM 907 O THR A 59 -15.331 -3.647 8.472 1.00 0.27 O ATOM 908 CB THR A 59 -15.251 -0.447 7.400 1.00 0.23 C ATOM 909 OG1 THR A 59 -16.227 -1.129 6.603 1.00 0.31 O ATOM 910 CG2 THR A 59 -14.397 0.444 6.511 1.00 0.21 C ATOM 911 HA THR A 59 -13.782 -0.943 8.900 1.00 0.00 H ATOM 912 HB THR A 59 -15.756 0.178 8.136 1.00 0.00 H ATOM 913 HG1 THR A 59 -15.767 -1.712 5.948 1.00 0.00 H ATOM 914 HG23 THR A 59 -13.656 0.961 7.121 1.00 0.00 H ATOM 915 HG21 THR A 59 -13.891 -0.168 5.764 1.00 0.00 H ATOM 916 HG22 THR A 59 -15.034 1.175 6.013 1.00 0.00 H ATOM 917 H THR A 59 -13.593 -2.065 6.228 1.00 0.00 H ATOM 918 N GLU A 60 -16.006 -2.014 9.866 1.00 0.30 N ATOM 919 CA GLU A 60 -16.912 -2.877 10.616 1.00 0.35 C ATOM 920 C GLU A 60 -18.097 -3.304 9.754 1.00 0.38 C ATOM 921 O GLU A 60 -18.809 -4.250 10.087 1.00 0.44 O ATOM 922 CB GLU A 60 -17.407 -2.163 11.876 1.00 0.40 C ATOM 923 CG GLU A 60 -18.346 -1.000 11.596 1.00 0.49 C ATOM 924 CD GLU A 60 -17.607 0.288 11.290 1.00 1.54 C ATOM 925 OE1 GLU A 60 -16.447 0.425 11.731 1.00 1.93 O ATOM 926 OE2 GLU A 60 -18.187 1.159 10.608 1.00 2.48 O ATOM 927 HA GLU A 60 -16.362 -3.771 10.910 1.00 0.00 H ATOM 928 HB2 GLU A 60 -17.933 -2.888 12.497 1.00 0.00 H ATOM 929 HB3 GLU A 60 -16.541 -1.783 12.418 1.00 0.00 H ATOM 930 HG2 GLU A 60 -18.972 -1.255 10.741 1.00 0.00 H ATOM 931 HG3 GLU A 60 -18.976 -0.841 12.471 1.00 0.00 H ATOM 932 H GLU A 60 -15.922 -1.013 10.134 1.00 0.00 H ATOM 933 N THR A 61 -18.303 -2.597 8.646 1.00 0.38 N ATOM 934 CA THR A 61 -19.403 -2.902 7.739 1.00 0.44 C ATOM 935 C THR A 61 -19.056 -4.068 6.818 1.00 0.48 C ATOM 936 O THR A 61 -19.914 -4.573 6.092 1.00 0.86 O ATOM 937 CB THR A 61 -19.777 -1.678 6.883 1.00 0.42 C ATOM 938 OG1 THR A 61 -18.969 -0.555 7.252 1.00 0.50 O ATOM 939 CG2 THR A 61 -21.248 -1.329 7.058 1.00 0.55 C ATOM 940 HA THR A 61 -20.256 -3.179 8.359 1.00 0.00 H ATOM 941 HB THR A 61 -19.597 -1.924 5.837 1.00 0.00 H ATOM 942 HG1 THR A 61 -18.015 -0.775 7.107 1.00 0.00 H ATOM 943 HG23 THR A 61 -21.859 -2.186 6.776 1.00 0.00 H ATOM 944 HG21 THR A 61 -21.438 -1.073 8.100 1.00 0.00 H ATOM 945 HG22 THR A 61 -21.497 -0.479 6.422 1.00 0.00 H ATOM 946 H THR A 61 -17.664 -1.808 8.421 1.00 0.00 H ATOM 947 N GLY A 62 -17.796 -4.493 6.851 1.00 0.29 N ATOM 948 CA GLY A 62 -17.363 -5.598 6.015 1.00 0.29 C ATOM 949 C GLY A 62 -16.749 -5.134 4.708 1.00 0.26 C ATOM 950 O GLY A 62 -16.256 -5.946 3.924 1.00 0.36 O ATOM 951 HA3 GLY A 62 -18.225 -6.227 5.792 1.00 0.00 H ATOM 952 HA2 GLY A 62 -16.622 -6.181 6.562 1.00 0.00 H ATOM 953 H GLY A 62 -17.113 -4.028 7.483 1.00 0.00 H ATOM 954 N SER A 63 -16.778 -3.825 4.472 1.00 0.18 N ATOM 955 CA SER A 63 -16.220 -3.255 3.250 1.00 0.19 C ATOM 956 C SER A 63 -14.734 -2.954 3.419 1.00 0.19 C ATOM 957 O SER A 63 -14.299 -2.509 4.481 1.00 0.33 O ATOM 958 CB SER A 63 -16.973 -1.978 2.867 1.00 0.25 C ATOM 959 OG SER A 63 -16.594 -0.893 3.697 1.00 1.04 O ATOM 960 HA SER A 63 -16.334 -3.988 2.451 1.00 0.00 H ATOM 961 HB2 SER A 63 -18.044 -2.151 2.973 1.00 0.00 H ATOM 962 HB3 SER A 63 -16.748 -1.729 1.830 1.00 0.00 H ATOM 963 HG SER A 63 -16.801 -1.112 4.640 1.00 0.00 H ATOM 964 H SER A 63 -17.209 -3.192 5.176 1.00 0.00 H ATOM 965 N TRP A 64 -13.961 -3.201 2.366 1.00 0.12 N ATOM 966 CA TRP A 64 -12.523 -2.960 2.397 1.00 0.10 C ATOM 967 C TRP A 64 -12.193 -1.550 1.916 1.00 0.12 C ATOM 968 O TRP A 64 -12.700 -1.098 0.890 1.00 0.15 O ATOM 969 CB TRP A 64 -11.797 -3.990 1.530 1.00 0.11 C ATOM 970 CG TRP A 64 -11.577 -5.300 2.224 1.00 0.13 C ATOM 971 CD1 TRP A 64 -12.297 -6.447 2.055 1.00 0.14 C ATOM 972 CD2 TRP A 64 -10.571 -5.596 3.201 1.00 0.15 C ATOM 973 NE1 TRP A 64 -11.800 -7.439 2.865 1.00 0.17 N ATOM 974 CE2 TRP A 64 -10.741 -6.942 3.578 1.00 0.17 C ATOM 975 CE3 TRP A 64 -9.544 -4.855 3.791 1.00 0.16 C ATOM 976 CZ2 TRP A 64 -9.923 -7.560 4.520 1.00 0.20 C ATOM 977 CZ3 TRP A 64 -8.733 -5.470 4.726 1.00 0.19 C ATOM 978 CH2 TRP A 64 -8.925 -6.810 5.082 1.00 0.21 C ATOM 979 HA TRP A 64 -12.186 -3.058 3.429 1.00 0.00 H ATOM 980 HB2 TRP A 64 -12.391 -4.169 0.634 1.00 0.00 H ATOM 981 HB3 TRP A 64 -10.827 -3.581 1.246 1.00 0.00 H ATOM 982 HE1 TRP A 64 -12.168 -8.410 2.927 1.00 0.00 H ATOM 983 HD1 TRP A 64 -13.143 -6.560 1.377 1.00 0.00 H ATOM 984 HZ2 TRP A 64 -10.072 -8.603 4.800 1.00 0.00 H ATOM 985 HH2 TRP A 64 -8.267 -7.266 5.822 1.00 0.00 H ATOM 986 HZ3 TRP A 64 -7.930 -4.901 5.194 1.00 0.00 H ATOM 987 HE3 TRP A 64 -9.385 -3.811 3.519 1.00 0.00 H ATOM 988 H TRP A 64 -14.393 -3.576 1.497 1.00 0.00 H ATOM 989 N SER A 65 -11.337 -0.860 2.665 1.00 0.11 N ATOM 990 CA SER A 65 -10.935 0.499 2.315 1.00 0.13 C ATOM 991 C SER A 65 -9.646 0.887 3.033 1.00 0.13 C ATOM 992 O SER A 65 -9.182 0.176 3.926 1.00 0.17 O ATOM 993 CB SER A 65 -12.048 1.487 2.666 1.00 0.15 C ATOM 994 OG SER A 65 -12.655 1.157 3.903 1.00 1.27 O ATOM 995 HA SER A 65 -10.754 0.534 1.241 1.00 0.00 H ATOM 996 HB2 SER A 65 -12.804 1.465 1.881 1.00 0.00 H ATOM 997 HB3 SER A 65 -11.626 2.490 2.733 1.00 0.00 H ATOM 998 HG SER A 65 -13.370 1.812 4.104 1.00 0.00 H ATOM 999 H SER A 65 -10.944 -1.300 3.522 1.00 0.00 H ATOM 1000 N ALA A 66 -9.073 2.019 2.638 1.00 0.13 N ATOM 1001 CA ALA A 66 -7.837 2.502 3.242 1.00 0.14 C ATOM 1002 C ALA A 66 -8.074 3.785 4.031 1.00 0.13 C ATOM 1003 O ALA A 66 -9.148 4.383 3.956 1.00 0.18 O ATOM 1004 CB ALA A 66 -6.781 2.730 2.171 1.00 0.16 C ATOM 1005 HA ALA A 66 -7.480 1.740 3.935 1.00 0.00 H ATOM 1006 HB1 ALA A 66 -6.582 1.792 1.653 1.00 0.00 H ATOM 1007 HB2 ALA A 66 -7.143 3.471 1.458 1.00 0.00 H ATOM 1008 HB3 ALA A 66 -5.864 3.090 2.637 1.00 0.00 H ATOM 1009 H ALA A 66 -9.517 2.574 1.879 1.00 0.00 H ATOM 1010 N GLU A 67 -7.063 4.203 4.787 1.00 0.13 N ATOM 1011 CA GLU A 67 -7.159 5.417 5.590 1.00 0.15 C ATOM 1012 C GLU A 67 -7.254 6.652 4.698 1.00 0.16 C ATOM 1013 O GLU A 67 -6.688 6.684 3.604 1.00 0.24 O ATOM 1014 CB GLU A 67 -5.950 5.536 6.520 1.00 0.18 C ATOM 1015 CG GLU A 67 -6.234 6.325 7.788 1.00 0.23 C ATOM 1016 CD GLU A 67 -7.384 5.745 8.590 1.00 0.51 C ATOM 1017 OE1 GLU A 67 -7.220 4.640 9.149 1.00 0.73 O ATOM 1018 OE2 GLU A 67 -8.447 6.396 8.659 1.00 0.76 O ATOM 1019 HA GLU A 67 -8.066 5.355 6.192 1.00 0.00 H ATOM 1020 HB2 GLU A 67 -5.632 4.532 6.802 1.00 0.00 H ATOM 1021 HB3 GLU A 67 -5.145 6.032 5.978 1.00 0.00 H ATOM 1022 HG2 GLU A 67 -5.338 6.323 8.409 1.00 0.00 H ATOM 1023 HG3 GLU A 67 -6.481 7.350 7.514 1.00 0.00 H ATOM 1024 H GLU A 67 -6.182 3.651 4.806 1.00 0.00 H ATOM 1025 N THR A 68 -7.974 7.663 5.171 1.00 0.16 N ATOM 1026 CA THR A 68 -8.146 8.899 4.414 1.00 0.19 C ATOM 1027 C THR A 68 -7.794 10.120 5.258 1.00 0.23 C ATOM 1028 O THR A 68 -8.094 10.171 6.450 1.00 0.28 O ATOM 1029 CB THR A 68 -9.591 9.048 3.904 1.00 0.21 C ATOM 1030 OG1 THR A 68 -10.265 7.785 3.963 1.00 0.19 O ATOM 1031 CG2 THR A 68 -9.607 9.571 2.475 1.00 0.25 C ATOM 1032 HA THR A 68 -7.468 8.841 3.563 1.00 0.00 H ATOM 1033 HB THR A 68 -10.107 9.764 4.543 1.00 0.00 H ATOM 1034 HG1 THR A 68 -11.192 7.891 3.633 1.00 0.00 H ATOM 1035 HG23 THR A 68 -9.093 10.532 2.435 1.00 0.00 H ATOM 1036 HG21 THR A 68 -9.100 8.859 1.823 1.00 0.00 H ATOM 1037 HG22 THR A 68 -10.639 9.695 2.147 1.00 0.00 H ATOM 1038 H THR A 68 -8.426 7.572 6.103 1.00 0.00 H ATOM 1039 N ALA A 69 -7.160 11.103 4.625 1.00 0.23 N ATOM 1040 CA ALA A 69 -6.770 12.328 5.311 1.00 0.27 C ATOM 1041 C ALA A 69 -8.000 13.137 5.716 1.00 0.29 C ATOM 1042 O ALA A 69 -9.057 13.018 5.098 1.00 0.29 O ATOM 1043 CB ALA A 69 -5.853 13.158 4.425 1.00 0.31 C ATOM 1044 HA ALA A 69 -6.229 12.058 6.218 1.00 0.00 H ATOM 1045 HB1 ALA A 69 -4.959 12.581 4.188 1.00 0.00 H ATOM 1046 HB2 ALA A 69 -6.375 13.415 3.504 1.00 0.00 H ATOM 1047 HB3 ALA A 69 -5.570 14.070 4.951 1.00 0.00 H ATOM 1048 H ALA A 69 -6.937 10.995 3.615 1.00 0.00 H ATOM 1049 N PRO A 70 -7.881 13.973 6.763 1.00 0.34 N ATOM 1050 CA PRO A 70 -8.995 14.799 7.241 1.00 0.38 C ATOM 1051 C PRO A 70 -9.451 15.817 6.200 1.00 0.39 C ATOM 1052 O PRO A 70 -8.930 16.931 6.137 1.00 0.43 O ATOM 1053 CB PRO A 70 -8.421 15.512 8.471 1.00 0.44 C ATOM 1054 CG PRO A 70 -6.943 15.465 8.288 1.00 0.72 C ATOM 1055 CD PRO A 70 -6.660 14.181 7.562 1.00 0.39 C ATOM 1056 HA PRO A 70 -9.878 14.197 7.459 1.00 0.00 H ATOM 1057 HD3 PRO A 70 -5.784 14.279 6.921 1.00 0.00 H ATOM 1058 HD2 PRO A 70 -6.506 13.361 8.263 1.00 0.00 H ATOM 1059 HG3 PRO A 70 -6.440 15.473 9.255 1.00 0.00 H ATOM 1060 HG2 PRO A 70 -6.606 16.317 7.698 1.00 0.00 H ATOM 1061 HB2 PRO A 70 -8.770 16.544 8.514 1.00 0.00 H ATOM 1062 HB3 PRO A 70 -8.711 14.994 9.385 1.00 0.00 H ATOM 1063 N GLY A 71 -10.427 15.426 5.385 1.00 0.39 N ATOM 1064 CA GLY A 71 -10.939 16.314 4.358 1.00 0.42 C ATOM 1065 C GLY A 71 -11.039 15.645 3.002 1.00 0.38 C ATOM 1066 O GLY A 71 -11.481 16.260 2.032 1.00 0.43 O ATOM 1067 HA3 GLY A 71 -10.273 17.173 4.275 1.00 0.00 H ATOM 1068 HA2 GLY A 71 -11.932 16.654 4.654 1.00 0.00 H ATOM 1069 H GLY A 71 -10.828 14.472 5.485 1.00 0.00 H ATOM 1070 N VAL A 72 -10.628 14.383 2.932 1.00 0.33 N ATOM 1071 CA VAL A 72 -10.673 13.632 1.682 1.00 0.30 C ATOM 1072 C VAL A 72 -11.731 12.536 1.733 1.00 0.28 C ATOM 1073 O VAL A 72 -11.947 11.916 2.776 1.00 0.28 O ATOM 1074 CB VAL A 72 -9.309 12.994 1.355 1.00 0.29 C ATOM 1075 CG1 VAL A 72 -9.280 12.499 -0.082 1.00 0.31 C ATOM 1076 CG2 VAL A 72 -8.179 13.982 1.609 1.00 0.38 C ATOM 1077 HA VAL A 72 -10.929 14.346 0.899 1.00 0.00 H ATOM 1078 HB VAL A 72 -9.165 12.137 2.013 1.00 0.00 H ATOM 1079 HG11 VAL A 72 -10.062 11.753 -0.224 1.00 0.00 H ATOM 1080 HG12 VAL A 72 -9.449 13.338 -0.757 1.00 0.00 H ATOM 1081 HG13 VAL A 72 -8.308 12.052 -0.292 1.00 0.00 H ATOM 1082 HG21 VAL A 72 -8.318 14.861 0.979 1.00 0.00 H ATOM 1083 HG22 VAL A 72 -8.187 14.280 2.657 1.00 0.00 H ATOM 1084 HG23 VAL A 72 -7.225 13.510 1.372 1.00 0.00 H ATOM 1085 H VAL A 72 -10.265 13.919 3.789 1.00 0.00 H ATOM 1086 N HIS A 73 -12.383 12.299 0.600 1.00 0.28 N ATOM 1087 CA HIS A 73 -13.416 11.275 0.511 1.00 0.27 C ATOM 1088 C HIS A 73 -12.833 9.968 -0.017 1.00 0.27 C ATOM 1089 O HIS A 73 -12.148 9.951 -1.040 1.00 0.44 O ATOM 1090 CB HIS A 73 -14.554 11.746 -0.396 1.00 0.30 C ATOM 1091 CG HIS A 73 -15.288 12.937 0.137 1.00 0.70 C ATOM 1092 ND1 HIS A 73 -14.842 13.676 1.212 1.00 1.26 N ATOM 1093 CD2 HIS A 73 -16.442 13.520 -0.266 1.00 1.12 C ATOM 1094 CE1 HIS A 73 -15.692 14.660 1.449 1.00 1.63 C ATOM 1095 NE2 HIS A 73 -16.669 14.589 0.565 1.00 1.50 N ATOM 1096 HA HIS A 73 -13.811 11.100 1.511 1.00 0.00 H ATOM 1097 HB2 HIS A 73 -14.136 12.005 -1.369 1.00 0.00 H ATOM 1098 HB3 HIS A 73 -15.264 10.927 -0.513 1.00 0.00 H ATOM 1099 HD2 HIS A 73 -17.073 13.200 -1.095 1.00 0.00 H ATOM 1100 HE1 HIS A 73 -15.601 15.404 2.240 1.00 0.00 H ATOM 1101 H HIS A 73 -12.150 12.859 -0.245 1.00 0.00 H ATOM 1102 N LYS A 74 -13.105 8.876 0.690 1.00 0.20 N ATOM 1103 CA LYS A 74 -12.602 7.565 0.295 1.00 0.19 C ATOM 1104 C LYS A 74 -13.741 6.635 -0.108 1.00 0.21 C ATOM 1105 O LYS A 74 -14.754 6.541 0.586 1.00 0.30 O ATOM 1106 CB LYS A 74 -11.809 6.935 1.442 1.00 0.21 C ATOM 1107 CG LYS A 74 -10.424 6.457 1.035 1.00 0.24 C ATOM 1108 CD LYS A 74 -10.496 5.204 0.178 1.00 0.29 C ATOM 1109 CE LYS A 74 -9.320 5.117 -0.782 1.00 0.36 C ATOM 1110 NZ LYS A 74 -9.667 5.633 -2.135 1.00 1.24 N ATOM 1111 HA LYS A 74 -11.949 7.705 -0.566 1.00 0.00 H ATOM 1112 HB2 LYS A 74 -11.699 7.677 2.233 1.00 0.00 H ATOM 1113 HB3 LYS A 74 -12.371 6.081 1.821 1.00 0.00 H ATOM 1114 HG2 LYS A 74 -9.929 7.246 0.468 1.00 0.00 H ATOM 1115 HG3 LYS A 74 -9.846 6.239 1.933 1.00 0.00 H ATOM 1116 HD2 LYS A 74 -10.488 4.329 0.828 1.00 0.00 H ATOM 1117 HD3 LYS A 74 -11.422 5.220 -0.397 1.00 0.00 H ATOM 1118 HE2 LYS A 74 -9.013 4.075 -0.870 1.00 0.00 H ATOM 1119 HE3 LYS A 74 -8.494 5.705 -0.382 1.00 0.00 H ATOM 1120 HZ1 LYS A 74 -10.450 5.073 -2.528 1.00 0.00 H ATOM 1121 HZ2 LYS A 74 -9.955 6.630 -2.061 1.00 0.00 H ATOM 1122 HZ3 LYS A 74 -8.838 5.555 -2.758 1.00 0.00 H ATOM 1123 H LYS A 74 -13.691 8.958 1.546 1.00 0.00 H ATOM 1124 N ARG A 75 -13.561 5.939 -1.226 1.00 0.23 N ATOM 1125 CA ARG A 75 -14.567 5.005 -1.712 1.00 0.26 C ATOM 1126 C ARG A 75 -14.376 3.640 -1.059 1.00 0.21 C ATOM 1127 O ARG A 75 -13.257 3.263 -0.710 1.00 0.25 O ATOM 1128 CB ARG A 75 -14.492 4.881 -3.238 1.00 0.35 C ATOM 1129 CG ARG A 75 -13.160 4.353 -3.742 1.00 0.64 C ATOM 1130 CD ARG A 75 -13.154 4.213 -5.255 1.00 0.85 C ATOM 1131 NE ARG A 75 -13.555 5.449 -5.922 1.00 0.66 N ATOM 1132 CZ ARG A 75 -12.903 5.975 -6.954 1.00 0.88 C ATOM 1133 NH1 ARG A 75 -11.828 5.371 -7.444 1.00 1.83 N ATOM 1134 NH2 ARG A 75 -13.328 7.106 -7.501 1.00 0.95 N ATOM 1135 HA ARG A 75 -15.553 5.386 -1.446 1.00 0.00 H ATOM 1136 HB2 ARG A 75 -15.279 4.202 -3.568 1.00 0.00 H ATOM 1137 HB3 ARG A 75 -14.659 5.867 -3.672 1.00 0.00 H ATOM 1138 HG2 ARG A 75 -12.370 5.044 -3.447 1.00 0.00 H ATOM 1139 HG3 ARG A 75 -12.973 3.377 -3.295 1.00 0.00 H ATOM 1140 HD2 ARG A 75 -13.846 3.420 -5.538 1.00 0.00 H ATOM 1141 HD3 ARG A 75 -12.148 3.948 -5.580 1.00 0.00 H ATOM 1142 HE ARG A 75 -14.398 5.945 -5.570 1.00 0.00 H ATOM 1143 HH12 ARG A 75 -11.321 5.786 -8.252 1.00 0.00 H ATOM 1144 HH11 ARG A 75 -11.492 4.482 -7.020 1.00 0.00 H ATOM 1145 HH22 ARG A 75 -12.817 7.517 -8.308 1.00 0.00 H ATOM 1146 HH21 ARG A 75 -14.172 7.582 -7.122 1.00 0.00 H ATOM 1147 H ARG A 75 -12.681 6.064 -1.766 1.00 0.00 H ATOM 1148 N TYR A 76 -15.471 2.908 -0.884 1.00 0.18 N ATOM 1149 CA TYR A 76 -15.413 1.593 -0.255 1.00 0.19 C ATOM 1150 C TYR A 76 -15.432 0.473 -1.292 1.00 0.18 C ATOM 1151 O TYR A 76 -16.010 0.616 -2.369 1.00 0.34 O ATOM 1152 CB TYR A 76 -16.578 1.425 0.721 1.00 0.28 C ATOM 1153 CG TYR A 76 -16.633 2.503 1.781 1.00 0.31 C ATOM 1154 CD1 TYR A 76 -15.814 2.444 2.901 1.00 0.41 C ATOM 1155 CD2 TYR A 76 -17.501 3.580 1.658 1.00 0.40 C ATOM 1156 CE1 TYR A 76 -15.858 3.430 3.870 1.00 0.47 C ATOM 1157 CE2 TYR A 76 -17.553 4.568 2.623 1.00 0.45 C ATOM 1158 CZ TYR A 76 -16.729 4.489 3.727 1.00 0.43 C ATOM 1159 OH TYR A 76 -16.777 5.471 4.689 1.00 0.51 O ATOM 1160 HA TYR A 76 -14.472 1.526 0.291 1.00 0.00 H ATOM 1161 HB3 TYR A 76 -16.479 0.459 1.215 1.00 0.00 H ATOM 1162 HB2 TYR A 76 -17.509 1.448 0.155 1.00 0.00 H ATOM 1163 HD2 TYR A 76 -18.152 3.647 0.786 1.00 0.00 H ATOM 1164 HE2 TYR A 76 -18.242 5.406 2.513 1.00 0.00 H ATOM 1165 HE1 TYR A 76 -15.207 3.370 4.742 1.00 0.00 H ATOM 1166 HD1 TYR A 76 -15.125 1.607 3.018 1.00 0.00 H ATOM 1167 HH TYR A 76 -16.127 5.261 5.406 1.00 0.00 H ATOM 1168 H TYR A 76 -16.389 3.280 -1.202 1.00 0.00 H ATOM 1169 N PHE A 77 -14.795 -0.644 -0.949 1.00 0.14 N ATOM 1170 CA PHE A 77 -14.729 -1.803 -1.834 1.00 0.14 C ATOM 1171 C PHE A 77 -15.277 -3.044 -1.138 1.00 0.14 C ATOM 1172 O PHE A 77 -15.754 -2.971 -0.005 1.00 0.16 O ATOM 1173 CB PHE A 77 -13.286 -2.059 -2.277 1.00 0.16 C ATOM 1174 CG PHE A 77 -12.543 -0.817 -2.675 1.00 0.17 C ATOM 1175 CD1 PHE A 77 -12.910 -0.106 -3.807 1.00 0.18 C ATOM 1176 CD2 PHE A 77 -11.473 -0.363 -1.921 1.00 0.23 C ATOM 1177 CE1 PHE A 77 -12.223 1.035 -4.177 1.00 0.20 C ATOM 1178 CE2 PHE A 77 -10.783 0.777 -2.286 1.00 0.26 C ATOM 1179 CZ PHE A 77 -11.159 1.477 -3.416 1.00 0.23 C ATOM 1180 HA PHE A 77 -15.339 -1.591 -2.712 1.00 0.00 H ATOM 1181 HB2 PHE A 77 -12.752 -2.529 -1.452 1.00 0.00 H ATOM 1182 HB3 PHE A 77 -13.304 -2.737 -3.130 1.00 0.00 H ATOM 1183 HD2 PHE A 77 -11.172 -0.912 -1.029 1.00 0.00 H ATOM 1184 HE2 PHE A 77 -9.943 1.123 -1.683 1.00 0.00 H ATOM 1185 HZ PHE A 77 -10.617 2.377 -3.706 1.00 0.00 H ATOM 1186 HE1 PHE A 77 -12.521 1.586 -5.069 1.00 0.00 H ATOM 1187 HD1 PHE A 77 -13.749 -0.450 -4.412 1.00 0.00 H ATOM 1188 H PHE A 77 -14.329 -0.693 -0.020 1.00 0.00 H ATOM 1189 N ARG A 78 -15.205 -4.183 -1.820 1.00 0.14 N ATOM 1190 CA ARG A 78 -15.693 -5.438 -1.263 1.00 0.15 C ATOM 1191 C ARG A 78 -14.639 -6.537 -1.384 1.00 0.14 C ATOM 1192 O ARG A 78 -14.970 -7.712 -1.546 1.00 0.16 O ATOM 1193 CB ARG A 78 -16.980 -5.869 -1.969 1.00 0.18 C ATOM 1194 CG ARG A 78 -18.029 -6.434 -1.024 1.00 0.21 C ATOM 1195 CD ARG A 78 -19.359 -6.640 -1.730 1.00 0.49 C ATOM 1196 NE ARG A 78 -20.402 -7.088 -0.811 1.00 1.29 N ATOM 1197 CZ ARG A 78 -21.697 -6.840 -0.984 1.00 1.78 C ATOM 1198 NH1 ARG A 78 -22.108 -6.149 -2.039 1.00 1.84 N ATOM 1199 NH2 ARG A 78 -22.581 -7.284 -0.103 1.00 2.81 N ATOM 1200 HA ARG A 78 -15.903 -5.278 -0.206 1.00 0.00 H ATOM 1201 HB2 ARG A 78 -17.403 -5.002 -2.476 1.00 0.00 H ATOM 1202 HB3 ARG A 78 -16.731 -6.633 -2.705 1.00 0.00 H ATOM 1203 HG2 ARG A 78 -17.680 -7.392 -0.638 1.00 0.00 H ATOM 1204 HG3 ARG A 78 -18.171 -5.740 -0.196 1.00 0.00 H ATOM 1205 HD2 ARG A 78 -19.231 -7.390 -2.510 1.00 0.00 H ATOM 1206 HD3 ARG A 78 -19.668 -5.697 -2.181 1.00 0.00 H ATOM 1207 HE ARG A 78 -20.115 -7.633 0.027 1.00 0.00 H ATOM 1208 HH12 ARG A 78 -23.121 -5.956 -2.172 1.00 0.00 H ATOM 1209 HH11 ARG A 78 -21.417 -5.800 -2.733 1.00 0.00 H ATOM 1210 HH22 ARG A 78 -23.594 -7.090 -0.239 1.00 0.00 H ATOM 1211 HH21 ARG A 78 -22.262 -7.827 0.725 1.00 0.00 H ATOM 1212 H ARG A 78 -14.790 -4.178 -2.774 1.00 0.00 H ATOM 1213 N LYS A 79 -13.368 -6.147 -1.301 1.00 0.12 N ATOM 1214 CA LYS A 79 -12.266 -7.098 -1.397 1.00 0.12 C ATOM 1215 C LYS A 79 -10.933 -6.418 -1.105 1.00 0.11 C ATOM 1216 O LYS A 79 -10.785 -5.212 -1.306 1.00 0.14 O ATOM 1217 CB LYS A 79 -12.231 -7.733 -2.789 1.00 0.13 C ATOM 1218 CG LYS A 79 -11.909 -9.218 -2.772 1.00 0.19 C ATOM 1219 CD LYS A 79 -11.702 -9.757 -4.178 1.00 0.23 C ATOM 1220 CE LYS A 79 -12.881 -10.602 -4.628 1.00 0.38 C ATOM 1221 NZ LYS A 79 -12.442 -11.870 -5.273 1.00 1.27 N ATOM 1222 HA LYS A 79 -12.428 -7.878 -0.653 1.00 0.00 H ATOM 1223 HB2 LYS A 79 -13.207 -7.597 -3.255 1.00 0.00 H ATOM 1224 HB3 LYS A 79 -11.472 -7.222 -3.382 1.00 0.00 H ATOM 1225 HG2 LYS A 79 -10.999 -9.377 -2.193 1.00 0.00 H ATOM 1226 HG3 LYS A 79 -12.734 -9.755 -2.304 1.00 0.00 H ATOM 1227 HD2 LYS A 79 -11.583 -8.919 -4.865 1.00 0.00 H ATOM 1228 HD3 LYS A 79 -10.800 -10.369 -4.194 1.00 0.00 H ATOM 1229 HE2 LYS A 79 -13.473 -10.030 -5.342 1.00 0.00 H ATOM 1230 HE3 LYS A 79 -13.494 -10.842 -3.760 1.00 0.00 H ATOM 1231 HZ1 LYS A 79 -11.861 -11.650 -6.107 1.00 0.00 H ATOM 1232 HZ2 LYS A 79 -11.882 -12.426 -4.596 1.00 0.00 H ATOM 1233 HZ3 LYS A 79 -13.277 -12.416 -5.565 1.00 0.00 H ATOM 1234 H LYS A 79 -13.156 -5.138 -1.164 1.00 0.00 H ATOM 1235 N ILE A 80 -9.967 -7.198 -0.629 1.00 0.11 N ATOM 1236 CA ILE A 80 -8.648 -6.667 -0.308 1.00 0.11 C ATOM 1237 C ILE A 80 -7.827 -6.430 -1.573 1.00 0.10 C ATOM 1238 O ILE A 80 -7.187 -5.389 -1.723 1.00 0.10 O ATOM 1239 CB ILE A 80 -7.875 -7.612 0.640 1.00 0.12 C ATOM 1240 CG1 ILE A 80 -6.532 -6.994 1.037 1.00 0.12 C ATOM 1241 CG2 ILE A 80 -7.666 -8.974 -0.007 1.00 0.14 C ATOM 1242 CD1 ILE A 80 -6.669 -5.764 1.908 1.00 0.15 C ATOM 1243 HA ILE A 80 -8.803 -5.714 0.198 1.00 0.00 H ATOM 1244 HB ILE A 80 -8.471 -7.751 1.542 1.00 0.00 H ATOM 1245 HG12 ILE A 80 -5.956 -7.741 1.582 1.00 0.00 H ATOM 1246 HG13 ILE A 80 -5.997 -6.716 0.129 1.00 0.00 H ATOM 1247 HD11 ILE A 80 -7.235 -5.002 1.372 1.00 0.00 H ATOM 1248 HD12 ILE A 80 -7.193 -6.028 2.827 1.00 0.00 H ATOM 1249 HD13 ILE A 80 -5.678 -5.380 2.150 1.00 0.00 H ATOM 1250 HG21 ILE A 80 -8.635 -9.419 -0.235 1.00 0.00 H ATOM 1251 HG22 ILE A 80 -7.094 -8.854 -0.927 1.00 0.00 H ATOM 1252 HG23 ILE A 80 -7.120 -9.621 0.680 1.00 0.00 H ATOM 1253 H ILE A 80 -10.157 -8.210 -0.482 1.00 0.00 H ATOM 1254 N LYS A 81 -7.851 -7.401 -2.482 1.00 0.11 N ATOM 1255 CA LYS A 81 -7.110 -7.298 -3.735 1.00 0.13 C ATOM 1256 C LYS A 81 -7.769 -6.296 -4.678 1.00 0.13 C ATOM 1257 O LYS A 81 -7.097 -5.660 -5.491 1.00 0.14 O ATOM 1258 CB LYS A 81 -7.012 -8.670 -4.408 1.00 0.15 C ATOM 1259 CG LYS A 81 -8.338 -9.187 -4.939 1.00 0.15 C ATOM 1260 CD LYS A 81 -8.206 -9.690 -6.368 1.00 0.45 C ATOM 1261 CE LYS A 81 -8.163 -11.209 -6.424 1.00 1.02 C ATOM 1262 NZ LYS A 81 -6.942 -11.754 -5.770 1.00 1.78 N ATOM 1263 HA LYS A 81 -6.105 -6.943 -3.507 1.00 0.00 H ATOM 1264 HB2 LYS A 81 -6.313 -8.596 -5.241 1.00 0.00 H ATOM 1265 HB3 LYS A 81 -6.631 -9.385 -3.679 1.00 0.00 H ATOM 1266 HG2 LYS A 81 -8.679 -10.005 -4.305 1.00 0.00 H ATOM 1267 HG3 LYS A 81 -9.070 -8.379 -4.913 1.00 0.00 H ATOM 1268 HD2 LYS A 81 -9.059 -9.338 -6.948 1.00 0.00 H ATOM 1269 HD3 LYS A 81 -7.287 -9.293 -6.800 1.00 0.00 H ATOM 1270 HE2 LYS A 81 -8.175 -11.524 -7.467 1.00 0.00 H ATOM 1271 HE3 LYS A 81 -9.042 -11.606 -5.916 1.00 0.00 H ATOM 1272 HZ1 LYS A 81 -6.098 -11.386 -6.253 1.00 0.00 H ATOM 1273 HZ2 LYS A 81 -6.926 -11.464 -4.771 1.00 0.00 H ATOM 1274 HZ3 LYS A 81 -6.952 -12.792 -5.830 1.00 0.00 H ATOM 1275 H LYS A 81 -8.413 -8.256 -2.295 1.00 0.00 H ATOM 1276 N ASN A 82 -9.088 -6.162 -4.564 1.00 0.12 N ATOM 1277 CA ASN A 82 -9.841 -5.239 -5.407 1.00 0.12 C ATOM 1278 C ASN A 82 -9.339 -3.809 -5.232 1.00 0.12 C ATOM 1279 O ASN A 82 -9.465 -2.982 -6.134 1.00 0.15 O ATOM 1280 CB ASN A 82 -11.335 -5.313 -5.078 1.00 0.14 C ATOM 1281 CG ASN A 82 -12.209 -4.965 -6.267 1.00 0.18 C ATOM 1282 OD1 ASN A 82 -11.892 -4.063 -7.042 1.00 0.25 O ATOM 1283 ND2 ASN A 82 -13.319 -5.680 -6.417 1.00 0.23 N ATOM 1284 HA ASN A 82 -9.692 -5.533 -6.446 1.00 0.00 H ATOM 1285 HB2 ASN A 82 -11.572 -6.326 -4.754 1.00 0.00 H ATOM 1286 HB3 ASN A 82 -11.550 -4.615 -4.269 1.00 0.00 H ATOM 1287 HD22 ASN A 82 -13.548 -6.433 -5.738 1.00 0.00 H ATOM 1288 HD21 ASN A 82 -13.959 -5.486 -7.214 1.00 0.00 H ATOM 1289 H ASN A 82 -9.595 -6.730 -3.856 1.00 0.00 H ATOM 1290 N LEU A 83 -8.767 -3.530 -4.064 1.00 0.11 N ATOM 1291 CA LEU A 83 -8.240 -2.203 -3.770 1.00 0.11 C ATOM 1292 C LEU A 83 -7.134 -1.836 -4.753 1.00 0.12 C ATOM 1293 O LEU A 83 -6.960 -0.669 -5.103 1.00 0.14 O ATOM 1294 CB LEU A 83 -7.699 -2.153 -2.338 1.00 0.12 C ATOM 1295 CG LEU A 83 -6.997 -0.850 -1.954 1.00 0.14 C ATOM 1296 CD1 LEU A 83 -7.500 -0.348 -0.609 1.00 0.16 C ATOM 1297 CD2 LEU A 83 -5.489 -1.047 -1.921 1.00 0.17 C ATOM 1298 HA LEU A 83 -9.052 -1.482 -3.870 1.00 0.00 H ATOM 1299 HB2 LEU A 83 -8.536 -2.300 -1.655 1.00 0.00 H ATOM 1300 HB3 LEU A 83 -6.986 -2.969 -2.217 1.00 0.00 H ATOM 1301 HG LEU A 83 -7.229 -0.099 -2.709 1.00 0.00 H ATOM 1302 HD21 LEU A 83 -5.240 -1.814 -1.187 1.00 0.00 H ATOM 1303 HD22 LEU A 83 -5.143 -1.359 -2.906 1.00 0.00 H ATOM 1304 HD23 LEU A 83 -5.007 -0.109 -1.646 1.00 0.00 H ATOM 1305 HD11 LEU A 83 -8.573 -0.168 -0.668 1.00 0.00 H ATOM 1306 HD12 LEU A 83 -7.298 -1.098 0.156 1.00 0.00 H ATOM 1307 HD13 LEU A 83 -6.988 0.580 -0.354 1.00 0.00 H ATOM 1308 H LEU A 83 -8.694 -4.276 -3.343 1.00 0.00 H ATOM 1309 N ILE A 84 -6.388 -2.845 -5.191 1.00 0.11 N ATOM 1310 CA ILE A 84 -5.293 -2.641 -6.130 1.00 0.11 C ATOM 1311 C ILE A 84 -5.808 -2.221 -7.504 1.00 0.12 C ATOM 1312 O ILE A 84 -5.309 -1.267 -8.099 1.00 0.18 O ATOM 1313 CB ILE A 84 -4.446 -3.920 -6.276 1.00 0.12 C ATOM 1314 CG1 ILE A 84 -3.976 -4.398 -4.900 1.00 0.13 C ATOM 1315 CG2 ILE A 84 -3.258 -3.676 -7.196 1.00 0.13 C ATOM 1316 CD1 ILE A 84 -3.710 -5.885 -4.835 1.00 0.15 C ATOM 1317 HA ILE A 84 -4.672 -1.841 -5.727 1.00 0.00 H ATOM 1318 HB ILE A 84 -5.064 -4.699 -6.723 1.00 0.00 H ATOM 1319 HG12 ILE A 84 -3.056 -3.871 -4.648 1.00 0.00 H ATOM 1320 HG13 ILE A 84 -4.746 -4.153 -4.168 1.00 0.00 H ATOM 1321 HD11 ILE A 84 -4.625 -6.427 -5.074 1.00 0.00 H ATOM 1322 HD12 ILE A 84 -2.933 -6.146 -5.554 1.00 0.00 H ATOM 1323 HD13 ILE A 84 -3.381 -6.150 -3.830 1.00 0.00 H ATOM 1324 HG21 ILE A 84 -3.618 -3.377 -8.180 1.00 0.00 H ATOM 1325 HG22 ILE A 84 -2.634 -2.885 -6.780 1.00 0.00 H ATOM 1326 HG23 ILE A 84 -2.674 -4.592 -7.284 1.00 0.00 H ATOM 1327 H ILE A 84 -6.592 -3.808 -4.854 1.00 0.00 H ATOM 1328 N SER A 85 -6.807 -2.944 -8.001 1.00 0.17 N ATOM 1329 CA SER A 85 -7.387 -2.650 -9.307 1.00 0.19 C ATOM 1330 C SER A 85 -8.047 -1.274 -9.321 1.00 0.15 C ATOM 1331 O SER A 85 -8.029 -0.578 -10.336 1.00 0.14 O ATOM 1332 CB SER A 85 -8.410 -3.722 -9.685 1.00 0.25 C ATOM 1333 OG SER A 85 -7.939 -4.523 -10.755 1.00 0.62 O ATOM 1334 HA SER A 85 -6.580 -2.649 -10.040 1.00 0.00 H ATOM 1335 HB2 SER A 85 -9.339 -3.238 -9.985 1.00 0.00 H ATOM 1336 HB3 SER A 85 -8.596 -4.358 -8.819 1.00 0.00 H ATOM 1337 HG SER A 85 -8.619 -5.207 -10.978 1.00 0.00 H ATOM 1338 H SER A 85 -7.184 -3.738 -7.445 1.00 0.00 H ATOM 1339 N ALA A 86 -8.633 -0.891 -8.192 1.00 0.17 N ATOM 1340 CA ALA A 86 -9.304 0.400 -8.079 1.00 0.17 C ATOM 1341 C ALA A 86 -8.306 1.534 -7.864 1.00 0.15 C ATOM 1342 O ALA A 86 -8.572 2.682 -8.223 1.00 0.18 O ATOM 1343 CB ALA A 86 -10.317 0.367 -6.946 1.00 0.22 C ATOM 1344 HA ALA A 86 -9.824 0.589 -9.018 1.00 0.00 H ATOM 1345 HB1 ALA A 86 -11.059 -0.406 -7.146 1.00 0.00 H ATOM 1346 HB2 ALA A 86 -9.805 0.147 -6.009 1.00 0.00 H ATOM 1347 HB3 ALA A 86 -10.810 1.336 -6.873 1.00 0.00 H ATOM 1348 H ALA A 86 -8.613 -1.526 -7.369 1.00 0.00 H ATOM 1349 N PHE A 87 -7.159 1.210 -7.272 1.00 0.12 N ATOM 1350 CA PHE A 87 -6.128 2.208 -7.006 1.00 0.10 C ATOM 1351 C PHE A 87 -5.257 2.445 -8.236 1.00 0.10 C ATOM 1352 O PHE A 87 -4.420 3.346 -8.247 1.00 0.13 O ATOM 1353 CB PHE A 87 -5.256 1.769 -5.826 1.00 0.09 C ATOM 1354 CG PHE A 87 -5.793 2.180 -4.479 1.00 0.10 C ATOM 1355 CD1 PHE A 87 -7.156 2.335 -4.271 1.00 0.14 C ATOM 1356 CD2 PHE A 87 -4.929 2.406 -3.420 1.00 0.15 C ATOM 1357 CE1 PHE A 87 -7.644 2.708 -3.032 1.00 0.17 C ATOM 1358 CE2 PHE A 87 -5.412 2.779 -2.179 1.00 0.20 C ATOM 1359 CZ PHE A 87 -6.771 2.930 -1.986 1.00 0.18 C ATOM 1360 HA PHE A 87 -6.626 3.144 -6.756 1.00 0.00 H ATOM 1361 HB2 PHE A 87 -5.175 0.682 -5.846 1.00 0.00 H ATOM 1362 HB3 PHE A 87 -4.266 2.208 -5.949 1.00 0.00 H ATOM 1363 HD2 PHE A 87 -3.855 2.288 -3.567 1.00 0.00 H ATOM 1364 HE2 PHE A 87 -4.721 2.954 -1.354 1.00 0.00 H ATOM 1365 HZ PHE A 87 -7.154 3.224 -1.009 1.00 0.00 H ATOM 1366 HE1 PHE A 87 -8.717 2.827 -2.881 1.00 0.00 H ATOM 1367 HD1 PHE A 87 -7.850 2.161 -5.093 1.00 0.00 H ATOM 1368 H PHE A 87 -6.993 0.222 -6.992 1.00 0.00 H ATOM 1369 N GLN A 88 -5.459 1.632 -9.269 1.00 0.10 N ATOM 1370 CA GLN A 88 -4.688 1.759 -10.502 1.00 0.11 C ATOM 1371 C GLN A 88 -5.209 2.906 -11.365 1.00 0.13 C ATOM 1372 O GLN A 88 -4.940 2.962 -12.565 1.00 0.20 O ATOM 1373 CB GLN A 88 -4.737 0.455 -11.296 1.00 0.11 C ATOM 1374 CG GLN A 88 -3.828 -0.630 -10.747 1.00 0.14 C ATOM 1375 CD GLN A 88 -4.164 -2.002 -11.296 1.00 0.18 C ATOM 1376 OE1 GLN A 88 -5.320 -2.293 -11.603 1.00 0.25 O ATOM 1377 NE2 GLN A 88 -3.154 -2.852 -11.429 1.00 0.19 N ATOM 1378 HA GLN A 88 -3.656 1.976 -10.227 1.00 0.00 H ATOM 1379 HB2 GLN A 88 -5.762 0.084 -11.285 1.00 0.00 H ATOM 1380 HB3 GLN A 88 -4.439 0.666 -12.323 1.00 0.00 H ATOM 1381 HG2 GLN A 88 -2.798 -0.390 -11.011 1.00 0.00 H ATOM 1382 HG3 GLN A 88 -3.927 -0.654 -9.662 1.00 0.00 H ATOM 1383 HE22 GLN A 88 -2.193 -2.564 -11.157 1.00 0.00 H ATOM 1384 HE21 GLN A 88 -3.324 -3.807 -11.805 1.00 0.00 H ATOM 1385 H GLN A 88 -6.183 0.889 -9.197 1.00 0.00 H ATOM 1386 N LYS A 89 -5.949 3.821 -10.747 1.00 0.14 N ATOM 1387 CA LYS A 89 -6.503 4.967 -11.461 1.00 0.17 C ATOM 1388 C LYS A 89 -5.670 6.224 -11.202 1.00 0.15 C ATOM 1389 O LYS A 89 -5.658 6.750 -10.089 1.00 0.17 O ATOM 1390 CB LYS A 89 -7.954 5.209 -11.041 1.00 0.21 C ATOM 1391 CG LYS A 89 -8.842 3.983 -11.184 1.00 0.25 C ATOM 1392 CD LYS A 89 -10.316 4.355 -11.137 1.00 0.39 C ATOM 1393 CE LYS A 89 -11.197 3.201 -11.585 1.00 0.54 C ATOM 1394 NZ LYS A 89 -12.589 3.643 -11.878 1.00 1.49 N ATOM 1395 HA LYS A 89 -6.475 4.745 -12.528 1.00 0.00 H ATOM 1396 HB2 LYS A 89 -7.963 5.522 -9.997 1.00 0.00 H ATOM 1397 HB3 LYS A 89 -8.364 6.006 -11.661 1.00 0.00 H ATOM 1398 HG2 LYS A 89 -8.628 3.500 -12.137 1.00 0.00 H ATOM 1399 HG3 LYS A 89 -8.625 3.291 -10.370 1.00 0.00 H ATOM 1400 HD2 LYS A 89 -10.580 4.627 -10.115 1.00 0.00 H ATOM 1401 HD3 LYS A 89 -10.487 5.208 -11.794 1.00 0.00 H ATOM 1402 HE2 LYS A 89 -11.225 2.451 -10.794 1.00 0.00 H ATOM 1403 HE3 LYS A 89 -10.770 2.761 -12.486 1.00 0.00 H ATOM 1404 HZ1 LYS A 89 -13.007 4.058 -11.021 1.00 0.00 H ATOM 1405 HZ2 LYS A 89 -12.573 4.354 -12.637 1.00 0.00 H ATOM 1406 HZ3 LYS A 89 -13.155 2.824 -12.180 1.00 0.00 H ATOM 1407 H LYS A 89 -6.138 3.718 -9.730 1.00 0.00 H ATOM 1408 N PRO A 90 -4.955 6.721 -12.231 1.00 0.17 N ATOM 1409 CA PRO A 90 -4.113 7.919 -12.106 1.00 0.20 C ATOM 1410 C PRO A 90 -4.895 9.137 -11.624 1.00 0.16 C ATOM 1411 O PRO A 90 -6.001 9.403 -12.096 1.00 0.16 O ATOM 1412 CB PRO A 90 -3.600 8.150 -13.531 1.00 0.31 C ATOM 1413 CG PRO A 90 -3.706 6.823 -14.197 1.00 0.33 C ATOM 1414 CD PRO A 90 -4.906 6.154 -13.592 1.00 0.22 C ATOM 1415 HA PRO A 90 -3.322 7.778 -11.369 1.00 0.00 H ATOM 1416 HD3 PRO A 90 -5.811 6.395 -14.149 1.00 0.00 H ATOM 1417 HD2 PRO A 90 -4.777 5.072 -13.561 1.00 0.00 H ATOM 1418 HG3 PRO A 90 -2.809 6.233 -14.012 1.00 0.00 H ATOM 1419 HG2 PRO A 90 -3.842 6.947 -15.271 1.00 0.00 H ATOM 1420 HB2 PRO A 90 -4.216 8.888 -14.046 1.00 0.00 H ATOM 1421 HB3 PRO A 90 -2.564 8.490 -13.516 1.00 0.00 H ATOM 1422 N ASP A 91 -4.306 9.874 -10.685 1.00 0.17 N ATOM 1423 CA ASP A 91 -4.935 11.072 -10.132 1.00 0.21 C ATOM 1424 C ASP A 91 -6.325 10.765 -9.582 1.00 0.22 C ATOM 1425 O ASP A 91 -7.165 11.656 -9.463 1.00 0.27 O ATOM 1426 CB ASP A 91 -5.027 12.166 -11.199 1.00 0.24 C ATOM 1427 CG ASP A 91 -4.201 13.387 -10.850 1.00 0.45 C ATOM 1428 OD1 ASP A 91 -4.351 13.902 -9.721 1.00 0.83 O ATOM 1429 OD2 ASP A 91 -3.405 13.830 -11.704 1.00 0.74 O ATOM 1430 HA ASP A 91 -4.313 11.424 -9.309 1.00 0.00 H ATOM 1431 HB2 ASP A 91 -4.671 11.762 -12.146 1.00 0.00 H ATOM 1432 HB3 ASP A 91 -6.070 12.467 -11.303 1.00 0.00 H ATOM 1433 H ASP A 91 -3.370 9.589 -10.334 1.00 0.00 H ATOM 1434 N GLN A 92 -6.559 9.500 -9.247 1.00 0.20 N ATOM 1435 CA GLN A 92 -7.848 9.079 -8.709 1.00 0.22 C ATOM 1436 C GLN A 92 -7.677 7.911 -7.744 1.00 0.22 C ATOM 1437 O GLN A 92 -8.623 7.172 -7.473 1.00 0.27 O ATOM 1438 CB GLN A 92 -8.794 8.684 -9.845 1.00 0.23 C ATOM 1439 CG GLN A 92 -9.466 9.871 -10.515 1.00 0.33 C ATOM 1440 CD GLN A 92 -10.504 9.452 -11.538 1.00 0.36 C ATOM 1441 OE1 GLN A 92 -11.707 9.554 -11.298 1.00 0.53 O ATOM 1442 NE2 GLN A 92 -10.041 8.977 -12.689 1.00 0.40 N ATOM 1443 HA GLN A 92 -8.279 9.918 -8.163 1.00 0.00 H ATOM 1444 HB2 GLN A 92 -8.222 8.141 -10.597 1.00 0.00 H ATOM 1445 HB3 GLN A 92 -9.568 8.033 -9.439 1.00 0.00 H ATOM 1446 HG2 GLN A 92 -9.954 10.475 -9.749 1.00 0.00 H ATOM 1447 HG3 GLN A 92 -8.703 10.468 -11.015 1.00 0.00 H ATOM 1448 HE22 GLN A 92 -9.016 8.909 -12.848 1.00 0.00 H ATOM 1449 HE21 GLN A 92 -10.704 8.674 -13.431 1.00 0.00 H ATOM 1450 H GLN A 92 -5.806 8.794 -9.371 1.00 0.00 H ATOM 1451 N GLY A 93 -6.461 7.754 -7.227 1.00 0.18 N ATOM 1452 CA GLY A 93 -6.183 6.676 -6.296 1.00 0.19 C ATOM 1453 C GLY A 93 -5.214 7.088 -5.206 1.00 0.19 C ATOM 1454 O GLY A 93 -5.627 7.509 -4.125 1.00 0.28 O ATOM 1455 HA3 GLY A 93 -5.755 5.839 -6.847 1.00 0.00 H ATOM 1456 HA2 GLY A 93 -7.119 6.363 -5.833 1.00 0.00 H ATOM 1457 H GLY A 93 -5.701 8.412 -7.493 1.00 0.00 H ATOM 1458 N ILE A 94 -3.922 6.964 -5.490 1.00 0.10 N ATOM 1459 CA ILE A 94 -2.885 7.323 -4.526 1.00 0.09 C ATOM 1460 C ILE A 94 -1.799 8.168 -5.187 1.00 0.09 C ATOM 1461 O ILE A 94 -1.987 8.670 -6.295 1.00 0.09 O ATOM 1462 CB ILE A 94 -2.242 6.066 -3.904 1.00 0.10 C ATOM 1463 CG1 ILE A 94 -2.472 4.849 -4.805 1.00 0.19 C ATOM 1464 CG2 ILE A 94 -2.806 5.816 -2.514 1.00 0.19 C ATOM 1465 CD1 ILE A 94 -1.553 3.686 -4.505 1.00 0.16 C ATOM 1466 HA ILE A 94 -3.363 7.903 -3.737 1.00 0.00 H ATOM 1467 HB ILE A 94 -1.168 6.231 -3.815 1.00 0.00 H ATOM 1468 HG12 ILE A 94 -3.502 4.516 -4.677 1.00 0.00 H ATOM 1469 HG13 ILE A 94 -2.316 5.153 -5.840 1.00 0.00 H ATOM 1470 HD11 ILE A 94 -0.518 3.999 -4.640 1.00 0.00 H ATOM 1471 HD12 ILE A 94 -1.705 3.361 -3.476 1.00 0.00 H ATOM 1472 HD13 ILE A 94 -1.777 2.863 -5.184 1.00 0.00 H ATOM 1473 HG21 ILE A 94 -2.595 6.676 -1.878 1.00 0.00 H ATOM 1474 HG22 ILE A 94 -3.884 5.668 -2.582 1.00 0.00 H ATOM 1475 HG23 ILE A 94 -2.342 4.926 -2.090 1.00 0.00 H ATOM 1476 H ILE A 94 -3.642 6.602 -6.424 1.00 0.00 H ATOM 1477 N VAL A 95 -0.659 8.316 -4.510 1.00 0.09 N ATOM 1478 CA VAL A 95 0.452 9.094 -5.053 1.00 0.10 C ATOM 1479 C VAL A 95 0.850 8.556 -6.423 1.00 0.09 C ATOM 1480 O VAL A 95 1.476 9.248 -7.226 1.00 0.10 O ATOM 1481 CB VAL A 95 1.678 9.069 -4.113 1.00 0.10 C ATOM 1482 CG1 VAL A 95 2.229 7.658 -3.978 1.00 0.08 C ATOM 1483 CG2 VAL A 95 2.758 10.021 -4.607 1.00 0.12 C ATOM 1484 HA VAL A 95 0.115 10.126 -5.146 1.00 0.00 H ATOM 1485 HB VAL A 95 1.353 9.403 -3.128 1.00 0.00 H ATOM 1486 HG11 VAL A 95 1.458 7.006 -3.567 1.00 0.00 H ATOM 1487 HG12 VAL A 95 2.531 7.292 -4.959 1.00 0.00 H ATOM 1488 HG13 VAL A 95 3.091 7.668 -3.311 1.00 0.00 H ATOM 1489 HG21 VAL A 95 3.075 9.722 -5.606 1.00 0.00 H ATOM 1490 HG22 VAL A 95 2.360 11.035 -4.639 1.00 0.00 H ATOM 1491 HG23 VAL A 95 3.610 9.985 -3.928 1.00 0.00 H ATOM 1492 H VAL A 95 -0.559 7.868 -3.577 1.00 0.00 H ATOM 1493 N ILE A 96 0.461 7.312 -6.678 1.00 0.07 N ATOM 1494 CA ILE A 96 0.745 6.650 -7.942 1.00 0.07 C ATOM 1495 C ILE A 96 -0.077 5.373 -8.067 1.00 0.06 C ATOM 1496 O ILE A 96 -0.058 4.528 -7.171 1.00 0.06 O ATOM 1497 CB ILE A 96 2.239 6.294 -8.082 1.00 0.06 C ATOM 1498 CG1 ILE A 96 2.441 5.223 -9.162 1.00 0.07 C ATOM 1499 CG2 ILE A 96 2.794 5.814 -6.751 1.00 0.07 C ATOM 1500 CD1 ILE A 96 2.515 5.781 -10.566 1.00 0.09 C ATOM 1501 HA ILE A 96 0.478 7.349 -8.735 1.00 0.00 H ATOM 1502 HB ILE A 96 2.780 7.191 -8.383 1.00 0.00 H ATOM 1503 HG12 ILE A 96 3.370 4.694 -8.952 1.00 0.00 H ATOM 1504 HG13 ILE A 96 1.607 4.523 -9.113 1.00 0.00 H ATOM 1505 HD11 ILE A 96 1.587 6.304 -10.797 1.00 0.00 H ATOM 1506 HD12 ILE A 96 3.352 6.475 -10.636 1.00 0.00 H ATOM 1507 HD13 ILE A 96 2.658 4.964 -11.273 1.00 0.00 H ATOM 1508 HG21 ILE A 96 2.684 6.603 -6.007 1.00 0.00 H ATOM 1509 HG22 ILE A 96 2.246 4.929 -6.428 1.00 0.00 H ATOM 1510 HG23 ILE A 96 3.849 5.567 -6.867 1.00 0.00 H ATOM 1511 H ILE A 96 -0.066 6.792 -5.947 1.00 0.00 H ATOM 1512 N PRO A 97 -0.800 5.201 -9.183 1.00 0.06 N ATOM 1513 CA PRO A 97 -1.608 4.004 -9.404 1.00 0.06 C ATOM 1514 C PRO A 97 -0.739 2.757 -9.504 1.00 0.06 C ATOM 1515 O PRO A 97 0.052 2.619 -10.439 1.00 0.07 O ATOM 1516 CB PRO A 97 -2.316 4.285 -10.733 1.00 0.08 C ATOM 1517 CG PRO A 97 -1.463 5.299 -11.414 1.00 0.08 C ATOM 1518 CD PRO A 97 -0.878 6.141 -10.316 1.00 0.08 C ATOM 1519 HA PRO A 97 -2.301 3.811 -8.585 1.00 0.00 H ATOM 1520 HD3 PRO A 97 0.111 6.509 -10.589 1.00 0.00 H ATOM 1521 HD2 PRO A 97 -1.527 6.985 -10.081 1.00 0.00 H ATOM 1522 HG3 PRO A 97 -2.064 5.913 -12.085 1.00 0.00 H ATOM 1523 HG2 PRO A 97 -0.671 4.810 -11.982 1.00 0.00 H ATOM 1524 HB2 PRO A 97 -2.384 3.376 -11.331 1.00 0.00 H ATOM 1525 HB3 PRO A 97 -3.317 4.680 -10.559 1.00 0.00 H ATOM 1526 N LEU A 98 -0.884 1.864 -8.523 1.00 0.05 N ATOM 1527 CA LEU A 98 -0.112 0.622 -8.473 1.00 0.05 C ATOM 1528 C LEU A 98 0.127 0.067 -9.871 1.00 0.06 C ATOM 1529 O LEU A 98 -0.786 0.025 -10.695 1.00 0.08 O ATOM 1530 CB LEU A 98 -0.838 -0.405 -7.603 1.00 0.06 C ATOM 1531 CG LEU A 98 -1.382 0.152 -6.284 1.00 0.06 C ATOM 1532 CD1 LEU A 98 -2.301 -0.853 -5.612 1.00 0.09 C ATOM 1533 CD2 LEU A 98 -0.238 0.534 -5.356 1.00 0.07 C ATOM 1534 HA LEU A 98 0.861 0.837 -8.032 1.00 0.00 H ATOM 1535 HB2 LEU A 98 -1.675 -0.805 -8.175 1.00 0.00 H ATOM 1536 HB3 LEU A 98 -0.140 -1.210 -7.371 1.00 0.00 H ATOM 1537 HG LEU A 98 -1.962 1.048 -6.505 1.00 0.00 H ATOM 1538 HD21 LEU A 98 0.368 -0.348 -5.146 1.00 0.00 H ATOM 1539 HD22 LEU A 98 0.378 1.294 -5.835 1.00 0.00 H ATOM 1540 HD23 LEU A 98 -0.644 0.928 -4.424 1.00 0.00 H ATOM 1541 HD11 LEU A 98 -3.139 -1.075 -6.272 1.00 0.00 H ATOM 1542 HD12 LEU A 98 -1.747 -1.769 -5.405 1.00 0.00 H ATOM 1543 HD13 LEU A 98 -2.674 -0.434 -4.678 1.00 0.00 H ATOM 1544 H LEU A 98 -1.571 2.058 -7.766 1.00 0.00 H ATOM 1545 N GLN A 99 1.367 -0.332 -10.146 1.00 0.07 N ATOM 1546 CA GLN A 99 1.711 -0.851 -11.470 1.00 0.09 C ATOM 1547 C GLN A 99 2.626 -2.075 -11.414 1.00 0.11 C ATOM 1548 O GLN A 99 2.378 -3.067 -12.100 1.00 0.23 O ATOM 1549 CB GLN A 99 2.375 0.247 -12.303 1.00 0.11 C ATOM 1550 CG GLN A 99 1.778 0.405 -13.691 1.00 0.18 C ATOM 1551 CD GLN A 99 0.357 0.934 -13.659 1.00 0.26 C ATOM 1552 OE1 GLN A 99 0.133 2.139 -13.550 1.00 0.44 O ATOM 1553 NE2 GLN A 99 -0.613 0.032 -13.755 1.00 0.49 N ATOM 1554 HA GLN A 99 0.778 -1.169 -11.935 1.00 0.00 H ATOM 1555 HB2 GLN A 99 2.269 1.193 -11.773 1.00 0.00 H ATOM 1556 HB3 GLN A 99 3.433 0.007 -12.408 1.00 0.00 H ATOM 1557 HG2 GLN A 99 2.396 1.099 -14.260 1.00 0.00 H ATOM 1558 HG3 GLN A 99 1.778 -0.567 -14.184 1.00 0.00 H ATOM 1559 HE22 GLN A 99 -0.378 -0.977 -13.846 1.00 0.00 H ATOM 1560 HE21 GLN A 99 -1.608 0.335 -13.740 1.00 0.00 H ATOM 1561 H GLN A 99 2.100 -0.274 -9.411 1.00 0.00 H ATOM 1562 N TYR A 100 3.689 -2.005 -10.617 1.00 0.13 N ATOM 1563 CA TYR A 100 4.627 -3.125 -10.517 1.00 0.13 C ATOM 1564 C TYR A 100 4.627 -3.730 -9.115 1.00 0.15 C ATOM 1565 O TYR A 100 5.195 -3.161 -8.183 1.00 0.17 O ATOM 1566 CB TYR A 100 6.053 -2.696 -10.904 1.00 0.10 C ATOM 1567 CG TYR A 100 6.676 -3.569 -11.969 1.00 0.46 C ATOM 1568 CD1 TYR A 100 6.890 -4.926 -11.756 1.00 0.89 C ATOM 1569 CD2 TYR A 100 7.047 -3.030 -13.194 1.00 0.64 C ATOM 1570 CE1 TYR A 100 7.456 -5.719 -12.736 1.00 1.28 C ATOM 1571 CE2 TYR A 100 7.612 -3.817 -14.178 1.00 1.03 C ATOM 1572 CZ TYR A 100 7.815 -5.161 -13.944 1.00 1.31 C ATOM 1573 OH TYR A 100 8.379 -5.948 -14.922 1.00 1.73 O ATOM 1574 HA TYR A 100 4.290 -3.886 -11.221 1.00 0.00 H ATOM 1575 HB3 TYR A 100 6.680 -2.737 -10.013 1.00 0.00 H ATOM 1576 HB2 TYR A 100 6.017 -1.672 -11.274 1.00 0.00 H ATOM 1577 HD2 TYR A 100 6.890 -1.968 -13.382 1.00 0.00 H ATOM 1578 HE2 TYR A 100 7.896 -3.378 -15.135 1.00 0.00 H ATOM 1579 HE1 TYR A 100 7.618 -6.782 -12.554 1.00 0.00 H ATOM 1580 HD1 TYR A 100 6.607 -5.371 -10.802 1.00 0.00 H ATOM 1581 HH TYR A 100 8.453 -6.879 -14.593 1.00 0.00 H ATOM 1582 H TYR A 100 3.856 -1.144 -10.058 1.00 0.00 H ATOM 1583 N PRO A 101 3.988 -4.906 -8.948 1.00 0.18 N ATOM 1584 CA PRO A 101 3.918 -5.594 -7.655 1.00 0.20 C ATOM 1585 C PRO A 101 5.249 -6.233 -7.272 1.00 0.17 C ATOM 1586 O PRO A 101 5.915 -6.850 -8.104 1.00 0.19 O ATOM 1587 CB PRO A 101 2.854 -6.667 -7.887 1.00 0.24 C ATOM 1588 CG PRO A 101 2.926 -6.957 -9.345 1.00 0.25 C ATOM 1589 CD PRO A 101 3.286 -5.658 -10.010 1.00 0.22 C ATOM 1590 HA PRO A 101 3.683 -4.913 -6.837 1.00 0.00 H ATOM 1591 HD3 PRO A 101 3.940 -5.827 -10.865 1.00 0.00 H ATOM 1592 HD2 PRO A 101 2.392 -5.127 -10.337 1.00 0.00 H ATOM 1593 HG3 PRO A 101 1.962 -7.314 -9.708 1.00 0.00 H ATOM 1594 HG2 PRO A 101 3.689 -7.709 -9.544 1.00 0.00 H ATOM 1595 HB2 PRO A 101 3.076 -7.561 -7.305 1.00 0.00 H ATOM 1596 HB3 PRO A 101 1.866 -6.295 -7.617 1.00 0.00 H ATOM 1597 N VAL A 102 5.632 -6.081 -6.008 1.00 0.17 N ATOM 1598 CA VAL A 102 6.885 -6.641 -5.515 1.00 0.17 C ATOM 1599 C VAL A 102 6.627 -7.786 -4.541 1.00 0.20 C ATOM 1600 O VAL A 102 6.684 -7.607 -3.324 1.00 0.24 O ATOM 1601 CB VAL A 102 7.742 -5.566 -4.821 1.00 0.20 C ATOM 1602 CG1 VAL A 102 9.134 -6.099 -4.517 1.00 0.24 C ATOM 1603 CG2 VAL A 102 7.820 -4.312 -5.679 1.00 0.20 C ATOM 1604 HA VAL A 102 7.428 -7.022 -6.380 1.00 0.00 H ATOM 1605 HB VAL A 102 7.266 -5.306 -3.875 1.00 0.00 H ATOM 1606 HG11 VAL A 102 9.055 -6.965 -3.860 1.00 0.00 H ATOM 1607 HG12 VAL A 102 9.621 -6.391 -5.447 1.00 0.00 H ATOM 1608 HG13 VAL A 102 9.720 -5.322 -4.027 1.00 0.00 H ATOM 1609 HG21 VAL A 102 8.270 -4.559 -6.641 1.00 0.00 H ATOM 1610 HG22 VAL A 102 6.816 -3.918 -5.837 1.00 0.00 H ATOM 1611 HG23 VAL A 102 8.430 -3.564 -5.172 1.00 0.00 H ATOM 1612 H VAL A 102 5.023 -5.549 -5.354 1.00 0.00 H ATOM 1613 N GLU A 103 6.344 -8.965 -5.087 1.00 0.22 N ATOM 1614 CA GLU A 103 6.076 -10.143 -4.269 1.00 0.25 C ATOM 1615 C GLU A 103 7.364 -10.908 -3.978 1.00 0.27 C ATOM 1616 O GLU A 103 8.323 -10.839 -4.746 1.00 0.34 O ATOM 1617 CB GLU A 103 5.073 -11.060 -4.971 1.00 0.31 C ATOM 1618 CG GLU A 103 5.506 -11.483 -6.365 1.00 0.49 C ATOM 1619 CD GLU A 103 5.054 -12.887 -6.717 1.00 0.83 C ATOM 1620 OE1 GLU A 103 3.841 -13.164 -6.608 1.00 1.35 O ATOM 1621 OE2 GLU A 103 5.912 -13.708 -7.102 1.00 1.22 O ATOM 1622 HA GLU A 103 5.651 -9.808 -3.323 1.00 0.00 H ATOM 1623 HB2 GLU A 103 4.942 -11.956 -4.364 1.00 0.00 H ATOM 1624 HB3 GLU A 103 4.122 -10.534 -5.050 1.00 0.00 H ATOM 1625 HG2 GLU A 103 5.081 -10.788 -7.089 1.00 0.00 H ATOM 1626 HG3 GLU A 103 6.594 -11.442 -6.420 1.00 0.00 H ATOM 1627 H GLU A 103 6.313 -9.050 -6.123 1.00 0.00 H ATOM 1628 N LYS A 104 7.376 -11.638 -2.867 1.00 0.30 N ATOM 1629 CA LYS A 104 8.546 -12.416 -2.477 1.00 0.33 C ATOM 1630 C LYS A 104 8.395 -13.876 -2.895 1.00 0.48 C ATOM 1631 O LYS A 104 8.013 -14.726 -2.090 1.00 0.63 O ATOM 1632 CB LYS A 104 8.768 -12.324 -0.966 1.00 0.43 C ATOM 1633 CG LYS A 104 10.093 -12.910 -0.509 1.00 0.47 C ATOM 1634 CD LYS A 104 9.887 -14.126 0.381 1.00 0.67 C ATOM 1635 CE LYS A 104 10.998 -15.147 0.195 1.00 0.86 C ATOM 1636 NZ LYS A 104 10.474 -16.541 0.190 1.00 1.32 N ATOM 1637 HA LYS A 104 9.414 -12.000 -2.989 1.00 0.00 H ATOM 1638 HB2 LYS A 104 8.737 -11.274 -0.676 1.00 0.00 H ATOM 1639 HB3 LYS A 104 7.962 -12.861 -0.466 1.00 0.00 H ATOM 1640 HG2 LYS A 104 10.671 -13.205 -1.385 1.00 0.00 H ATOM 1641 HG3 LYS A 104 10.643 -12.152 0.049 1.00 0.00 H ATOM 1642 HD2 LYS A 104 9.872 -13.805 1.422 1.00 0.00 H ATOM 1643 HD3 LYS A 104 8.933 -14.591 0.131 1.00 0.00 H ATOM 1644 HE2 LYS A 104 11.714 -15.042 1.010 1.00 0.00 H ATOM 1645 HE3 LYS A 104 11.499 -14.955 -0.754 1.00 0.00 H ATOM 1646 HZ1 LYS A 104 10.000 -16.735 1.095 1.00 0.00 H ATOM 1647 HZ2 LYS A 104 9.794 -16.652 -0.589 1.00 0.00 H ATOM 1648 HZ3 LYS A 104 11.263 -17.206 0.061 1.00 0.00 H ATOM 1649 H LYS A 104 6.531 -11.655 -2.261 1.00 0.00 H ATOM 1650 N LYS A 105 8.698 -14.159 -4.158 1.00 0.63 N ATOM 1651 CA LYS A 105 8.598 -15.516 -4.684 1.00 0.87 C ATOM 1652 C LYS A 105 9.298 -15.628 -6.036 1.00 1.07 C ATOM 1653 O LYS A 105 10.370 -16.222 -6.143 1.00 1.29 O ATOM 1654 CB LYS A 105 7.132 -15.931 -4.818 1.00 1.02 C ATOM 1655 CG LYS A 105 6.814 -17.259 -4.148 1.00 1.31 C ATOM 1656 CD LYS A 105 6.984 -18.424 -5.110 1.00 1.65 C ATOM 1657 CE LYS A 105 5.937 -19.501 -4.870 1.00 1.76 C ATOM 1658 NZ LYS A 105 6.466 -20.618 -4.038 1.00 2.15 N ATOM 1659 HA LYS A 105 9.092 -16.187 -3.982 1.00 0.00 H ATOM 1660 HB2 LYS A 105 6.511 -15.158 -4.365 1.00 0.00 H ATOM 1661 HB3 LYS A 105 6.892 -16.013 -5.878 1.00 0.00 H ATOM 1662 HG2 LYS A 105 7.485 -17.398 -3.301 1.00 0.00 H ATOM 1663 HG3 LYS A 105 5.783 -17.239 -3.794 1.00 0.00 H ATOM 1664 HD2 LYS A 105 6.888 -18.057 -6.132 1.00 0.00 H ATOM 1665 HD3 LYS A 105 7.975 -18.856 -4.972 1.00 0.00 H ATOM 1666 HE2 LYS A 105 5.615 -19.900 -5.832 1.00 0.00 H ATOM 1667 HE3 LYS A 105 5.084 -19.055 -4.359 1.00 0.00 H ATOM 1668 HZ1 LYS A 105 7.277 -21.054 -4.521 1.00 0.00 H ATOM 1669 HZ2 LYS A 105 6.769 -20.247 -3.115 1.00 0.00 H ATOM 1670 HZ3 LYS A 105 5.720 -21.329 -3.899 1.00 0.00 H ATOM 1671 H LYS A 105 9.014 -13.394 -4.787 1.00 0.00 H ATOM 1672 N SER A 106 8.683 -15.052 -7.065 1.00 1.21 N ATOM 1673 CA SER A 106 9.249 -15.086 -8.409 1.00 1.50 C ATOM 1674 C SER A 106 9.423 -13.675 -8.961 1.00 1.81 C ATOM 1675 O SER A 106 8.605 -12.792 -8.706 1.00 2.50 O ATOM 1676 CB SER A 106 8.355 -15.904 -9.344 1.00 2.13 C ATOM 1677 OG SER A 106 7.009 -15.898 -8.899 1.00 2.80 O ATOM 1678 HA SER A 106 10.229 -15.559 -8.350 1.00 0.00 H ATOM 1679 HB2 SER A 106 8.716 -16.932 -9.373 1.00 0.00 H ATOM 1680 HB3 SER A 106 8.401 -15.476 -10.345 1.00 0.00 H ATOM 1681 HG SER A 106 6.675 -14.966 -8.875 1.00 0.00 H ATOM 1682 H SER A 106 7.777 -14.566 -6.908 1.00 0.00 H ATOM 1683 N SER A 107 10.497 -13.471 -9.719 1.00 2.29 N ATOM 1684 CA SER A 107 10.780 -12.168 -10.309 1.00 3.24 C ATOM 1685 C SER A 107 9.986 -11.966 -11.595 1.00 3.86 C ATOM 1686 O SER A 107 9.242 -10.966 -11.679 1.00 4.40 O ATOM 1687 CB SER A 107 12.277 -12.031 -10.595 1.00 4.08 C ATOM 1688 OG SER A 107 13.047 -12.364 -9.453 1.00 4.57 O ATOM 1689 HA SER A 107 10.479 -11.401 -9.595 1.00 0.00 H ATOM 1690 HB2 SER A 107 12.492 -11.002 -10.882 1.00 0.00 H ATOM 1691 HB3 SER A 107 12.546 -12.699 -11.413 1.00 0.00 H ATOM 1692 HG SER A 107 14.009 -12.267 -9.665 1.00 0.00 H ATOM 1693 H SER A 107 11.151 -14.260 -9.895 1.00 0.00 H TER 1694 SER A 107 HETATM 1695 N ARG A 1 16.740 12.416 5.449 1.00 0.24 N HETATM 1696 CA ARG A 1 17.887 11.476 5.530 1.00 0.07 C HETATM 1697 C ARG A 1 17.677 10.443 6.633 1.00 0.23 C HETATM 1698 O ARG A 1 17.027 10.723 7.641 1.00 -0.39 O HETATM 1699 N ARG A 1 18.230 9.249 6.433 1.00 -0.26 N HETATM 1700 CA ARG A 1 18.105 8.169 7.406 1.00 0.13 C HETATM 1701 C ARG A 1 16.639 7.851 7.685 1.00 0.20 C HETATM 1702 O ARG A 1 16.296 7.343 8.754 1.00 -0.39 O HETATM 1703 N ARG A 1 15.778 8.152 6.717 1.00 -0.26 N HETATM 1704 CA ARG A 1 14.349 7.898 6.855 1.00 0.15 C HETATM 1705 C ARG A 1 13.664 7.902 5.493 1.00 0.21 C HETATM 1706 O ARG A 1 13.391 8.961 4.927 1.00 -0.39 O HETATM 1707 N ARG A 1 13.388 6.711 4.971 1.00 -0.26 N HETATM 1708 CA ARG A 1 12.736 6.577 3.674 1.00 0.13 C HETATM 1709 C ARG A 1 11.286 6.131 3.839 1.00 0.20 C HETATM 1710 O ARG A 1 10.850 5.154 3.229 1.00 -0.39 O HETATM 1711 N ARG A 1 10.542 6.856 4.672 1.00 -0.26 N HETATM 1712 CA ARG A 1 9.140 6.538 4.921 1.00 0.16 C HETATM 1713 C ARG A 1 8.357 7.786 5.322 1.00 0.21 C HETATM 1714 O ARG A 1 8.827 8.594 6.123 1.00 -0.39 O HETATM 1715 N ARG A 1 7.162 7.937 4.758 1.00 -0.26 N HETATM 1716 CA ARG A 1 6.315 9.087 5.056 1.00 0.13 C HETATM 1717 C ARG A 1 5.128 8.689 5.927 1.00 0.20 C HETATM 1718 O ARG A 1 4.709 9.447 6.801 1.00 -0.39 O HETATM 1719 N ARG A 1 4.591 7.497 5.679 1.00 -0.26 N HETATM 1720 CA ARG A 1 3.449 6.994 6.439 1.00 0.14 C HETATM 1721 C ARG A 1 2.257 7.940 6.324 1.00 0.21 C HETATM 1722 O ARG A 1 1.409 7.999 7.216 1.00 -0.39 O HETATM 1723 N ARG A 1 2.198 8.677 5.220 1.00 -0.26 N HETATM 1724 CA ARG A 1 1.111 9.620 4.987 1.00 0.13 C HETATM 1725 C ARG A 1 -0.192 8.892 4.675 1.00 0.20 C HETATM 1726 O ARG A 1 -0.281 7.671 4.812 1.00 -0.39 O HETATM 1727 N ARG A 1 -1.198 9.650 4.252 1.00 -0.26 N HETATM 1728 CA ARG A 1 -2.497 9.081 3.916 1.00 0.13 C HETATM 1729 C ARG A 1 -2.873 9.403 2.474 1.00 0.20 C HETATM 1730 O ARG A 1 -2.166 10.139 1.786 1.00 -0.39 O HETATM 1731 N ARG A 1 -3.993 8.846 2.023 1.00 -0.26 N HETATM 1732 CA ARG A 1 -4.469 9.071 0.664 1.00 0.13 C HETATM 1733 C ARG A 1 -5.039 10.479 0.510 1.00 0.20 C HETATM 1734 O ARG A 1 -6.030 10.831 1.149 1.00 -0.39 O HETATM 1735 N ARG A 1 -4.402 11.281 -0.341 1.00 -0.26 N HETATM 1736 CA ARG A 1 -4.842 12.653 -0.576 1.00 0.13 C HETATM 1737 C ARG A 1 -5.764 12.736 -1.791 1.00 0.20 C HETATM 1738 O ARG A 1 -5.953 13.810 -2.363 1.00 -0.39 O HETATM 1739 N ARG A 1 -6.334 11.600 -2.179 1.00 -0.27 N HETATM 1740 CA ARG A 1 -7.235 11.552 -3.326 1.00 0.09 C HETATM 1741 C ARG A 1 -8.519 10.804 -2.982 1.00 0.06 C HETATM 1742 O ARG A 1 -9.606 11.301 -3.343 1.00 -0.57 O HETATM 1743 OXT ARG A 1 -8.426 9.728 -2.357 1.00 -0.57 O HETATM 1744 CB ARG A 1 -6.544 10.885 -4.517 1.00 -0.02 C HETATM 1745 CG ARG A 1 -6.295 11.829 -5.683 1.00 -0.04 C HETATM 1746 CD ARG A 1 -4.817 11.903 -6.033 1.00 -0.01 C HETATM 1747 CE ARG A 1 -4.282 13.319 -5.893 1.00 -0.04 C HETATM 1748 NZ ARG A 1 -4.818 14.222 -6.948 1.00 0.22 N HETATM 1749 H112 ARG A 1 -4.441 15.148 -6.821 1.00 0.20 H HETATM 1750 H113 ARG A 1 -5.823 14.257 -6.882 1.00 0.20 H HETATM 1751 H114 ARG A 1 -4.553 13.873 -7.856 1.00 0.20 H HETATM 1752 H110 ARG A 1 -3.185 13.294 -5.970 1.00 0.08 H HETATM 1753 H111 ARG A 1 -4.571 13.713 -4.907 1.00 0.08 H HETATM 1754 H108 ARG A 1 -4.678 11.570 -7.072 1.00 0.03 H HETATM 1755 H109 ARG A 1 -4.256 11.241 -5.357 1.00 0.03 H HETATM 1756 H106 ARG A 1 -6.649 12.834 -5.411 1.00 0.03 H HETATM 1757 H107 ARG A 1 -6.853 11.469 -6.560 1.00 0.03 H HETATM 1758 H104 ARG A 1 -7.178 10.058 -4.869 1.00 0.03 H HETATM 1759 H105 ARG A 1 -5.576 10.487 -4.179 1.00 0.03 H HETATM 1760 H103 ARG A 1 -7.497 12.583 -3.605 1.00 0.07 H HETATM 1761 H102 ARG A 1 -6.141 10.759 -1.673 1.00 0.19 H HETATM 1762 CB ARG A 1 -3.634 13.571 -0.779 1.00 0.00 C HETATM 1763 CG ARG A 1 -2.561 13.414 0.286 1.00 0.04 C HETATM 1764 CD ARG A 1 -1.162 13.370 -0.298 1.00 0.17 C HETATM 1765 OE1 ARG A 1 -0.973 13.534 -1.504 1.00 -0.40 O HETATM 1766 NE2 ARG A 1 -0.172 13.147 0.558 1.00 -0.30 N HETATM 1767 H100 ARG A 1 0.772 13.107 0.231 1.00 0.18 H HETATM 1768 H101 ARG A 1 -0.370 13.019 1.530 1.00 0.18 H HETATM 1769 H98 ARG A 1 -2.743 12.478 0.835 1.00 0.05 H HETATM 1770 H99 ARG A 1 -2.626 14.265 0.980 1.00 0.05 H HETATM 1771 H96 ARG A 1 -3.984 14.614 -0.768 1.00 0.03 H HETATM 1772 H97 ARG A 1 -3.187 13.345 -1.758 1.00 0.03 H HETATM 1773 H95 ARG A 1 -5.399 12.995 0.309 1.00 0.08 H HETATM 1774 H94 ARG A 1 -3.602 10.935 -0.831 1.00 0.19 H HETATM 1775 CB ARG A 1 -5.548 8.041 0.274 1.00 -0.01 C HETATM 1776 CG1 ARG A 1 -6.001 8.251 -1.163 1.00 -0.06 C HETATM 1777 H88 ARG A 1 -6.769 7.506 -1.418 1.00 0.02 H HETATM 1778 H89 ARG A 1 -5.141 8.137 -1.839 1.00 0.02 H HETATM 1779 H90 ARG A 1 -6.420 9.262 -1.271 1.00 0.02 H HETATM 1780 CG2 ARG A 1 -5.031 6.624 0.474 1.00 -0.06 C HETATM 1781 H91 ARG A 1 -4.710 6.495 1.518 1.00 0.02 H HETATM 1782 H92 ARG A 1 -4.178 6.447 -0.197 1.00 0.02 H HETATM 1783 H93 ARG A 1 -5.832 5.906 0.246 1.00 0.02 H HETATM 1784 H87 ARG A 1 -6.417 8.187 0.933 1.00 0.03 H HETATM 1785 H86 ARG A 1 -3.616 8.961 -0.022 1.00 0.08 H HETATM 1786 H85 ARG A 1 -4.523 8.257 2.633 1.00 0.19 H HETATM 1787 CB ARG A 1 -3.571 9.609 4.868 1.00 0.00 C HETATM 1788 CG ARG A 1 -3.779 8.733 6.093 1.00 0.04 C HETATM 1789 CD ARG A 1 -4.088 9.538 7.341 1.00 0.17 C HETATM 1790 OE1 ARG A 1 -3.182 9.973 8.054 1.00 -0.40 O HETATM 1791 NE2 ARG A 1 -5.372 9.738 7.615 1.00 -0.30 N HETATM 1792 H83 ARG A 1 -5.635 10.262 8.425 1.00 0.18 H HETATM 1793 H84 ARG A 1 -6.076 9.365 7.011 1.00 0.18 H HETATM 1794 H81 ARG A 1 -2.863 8.149 6.268 1.00 0.05 H HETATM 1795 H82 ARG A 1 -4.618 8.049 5.898 1.00 0.05 H HETATM 1796 H79 ARG A 1 -4.522 9.672 4.319 1.00 0.03 H HETATM 1797 H80 ARG A 1 -3.275 10.614 5.205 1.00 0.03 H HETATM 1798 H78 ARG A 1 -2.437 7.988 4.026 1.00 0.08 H HETATM 1799 H77 ARG A 1 -1.060 10.636 4.162 1.00 0.19 H HETATM 1800 CB ARG A 1 1.468 10.565 3.851 1.00 -0.02 C HETATM 1801 H74 ARG A 1 0.640 11.270 3.687 1.00 0.03 H HETATM 1802 H75 ARG A 1 1.643 9.985 2.933 1.00 0.03 H HETATM 1803 H76 ARG A 1 2.379 11.124 4.112 1.00 0.03 H HETATM 1804 H73 ARG A 1 0.966 10.213 5.902 1.00 0.08 H HETATM 1805 H72 ARG A 1 2.917 8.582 4.532 1.00 0.19 H HETATM 1806 CB ARG A 1 3.826 6.810 7.910 1.00 0.02 C HETATM 1807 CG ARG A 1 3.875 5.363 8.348 1.00 -0.05 C HETATM 1808 CD1 ARG A 1 2.752 4.740 8.881 1.00 -0.07 C HETATM 1809 CE1 ARG A 1 2.795 3.420 9.285 1.00 -0.04 C HETATM 1810 CZ ARG A 1 3.966 2.704 9.159 1.00 0.08 C HETATM 1811 CE2 ARG A 1 5.093 3.301 8.633 1.00 -0.04 C HETATM 1812 CD2 ARG A 1 5.043 4.622 8.232 1.00 -0.07 C HETATM 1813 H68 ARG A 1 5.931 5.088 7.820 1.00 0.05 H HETATM 1814 H70 ARG A 1 6.013 2.736 8.535 1.00 0.05 H HETATM 1815 OH ARG A 1 4.011 1.389 9.560 1.00 -0.34 O HETATM 1816 H71 ARG A 1 3.160 1.132 9.896 1.00 0.25 H HETATM 1817 H69 ARG A 1 1.911 2.949 9.700 1.00 0.05 H HETATM 1818 H67 ARG A 1 1.829 5.299 8.981 1.00 0.05 H HETATM 1819 H65 ARG A 1 3.082 7.335 8.527 1.00 0.05 H HETATM 1820 H66 ARG A 1 4.818 7.256 8.073 1.00 0.05 H HETATM 1821 H64 ARG A 1 3.160 6.016 6.026 1.00 0.08 H HETATM 1822 H63 ARG A 1 4.980 6.930 4.953 1.00 0.19 H HETATM 1823 CB ARG A 1 5.792 9.750 3.764 1.00 -0.00 C HETATM 1824 CG1 ARG A 1 6.957 10.106 2.833 1.00 -0.05 C HETATM 1825 CD1 ARG A 1 7.923 11.115 3.418 1.00 -0.06 C HETATM 1826 H60 ARG A 1 8.726 11.317 2.694 1.00 0.02 H HETATM 1827 H61 ARG A 1 8.358 10.712 4.344 1.00 0.02 H HETATM 1828 H62 ARG A 1 7.387 12.049 3.641 1.00 0.02 H HETATM 1829 H55 ARG A 1 6.543 10.522 1.903 1.00 0.03 H HETATM 1830 H56 ARG A 1 7.513 9.185 2.607 1.00 0.03 H HETATM 1831 CG2 ARG A 1 4.970 10.989 4.096 1.00 -0.06 C HETATM 1832 H57 ARG A 1 4.141 10.711 4.764 1.00 0.02 H HETATM 1833 H58 ARG A 1 4.565 11.420 3.168 1.00 0.02 H HETATM 1834 H59 ARG A 1 5.610 11.731 4.596 1.00 0.02 H HETATM 1835 H54 ARG A 1 5.141 9.032 3.244 1.00 0.03 H HETATM 1836 H53 ARG A 1 6.920 9.823 5.606 1.00 0.08 H HETATM 1837 H52 ARG A 1 6.836 7.245 4.114 1.00 0.19 H HETATM 1838 CB ARG A 1 8.992 5.478 6.027 1.00 0.09 C HETATM 1839 OG1 ARG A 1 10.093 4.563 5.982 1.00 -0.39 O HETATM 1840 H48 ARG A 1 10.110 4.131 5.136 1.00 0.21 H HETATM 1841 CG2 ARG A 1 7.686 4.712 5.872 1.00 -0.03 C HETATM 1842 H49 ARG A 1 7.604 3.962 6.672 1.00 0.03 H HETATM 1843 H50 ARG A 1 7.670 4.208 4.894 1.00 0.03 H HETATM 1844 H51 ARG A 1 6.840 5.412 5.937 1.00 0.03 H HETATM 1845 H47 ARG A 1 8.990 5.986 7.003 1.00 0.06 H HETATM 1846 H46 ARG A 1 8.710 6.137 3.992 1.00 0.08 H HETATM 1847 H45 ARG A 1 10.955 7.638 5.139 1.00 0.19 H HETATM 1848 CB ARG A 1 13.496 5.580 2.793 1.00 -0.01 C HETATM 1849 CG ARG A 1 14.816 5.067 3.374 1.00 -0.04 C HETATM 1850 CD1 ARG A 1 15.204 3.745 2.729 1.00 -0.06 C HETATM 1851 H39 ARG A 1 16.153 3.392 3.158 1.00 0.02 H HETATM 1852 H40 ARG A 1 15.322 3.887 1.645 1.00 0.02 H HETATM 1853 H41 ARG A 1 14.417 3.000 2.918 1.00 0.02 H HETATM 1854 CD2 ARG A 1 15.919 6.098 3.185 1.00 -0.06 C HETATM 1855 H42 ARG A 1 15.620 7.045 3.657 1.00 0.02 H HETATM 1856 H43 ARG A 1 16.088 6.261 2.110 1.00 0.02 H HETATM 1857 H44 ARG A 1 16.846 5.733 3.651 1.00 0.02 H HETATM 1858 H38 ARG A 1 14.679 4.900 4.452 1.00 0.03 H HETATM 1859 H36 ARG A 1 13.715 6.072 1.834 1.00 0.03 H HETATM 1860 H37 ARG A 1 12.842 4.713 2.619 1.00 0.03 H HETATM 1861 H35 ARG A 1 12.744 7.559 3.178 1.00 0.08 H HETATM 1862 H34 ARG A 1 13.634 5.886 5.481 1.00 0.19 H HETATM 1863 CB ARG A 1 13.706 8.947 7.764 1.00 0.08 C HETATM 1864 OG ARG A 1 14.176 10.248 7.455 1.00 -0.39 O HETATM 1865 H33 ARG A 1 15.118 10.280 7.573 1.00 0.21 H HETATM 1866 H31 ARG A 1 13.953 8.715 8.811 1.00 0.06 H HETATM 1867 H32 ARG A 1 12.615 8.918 7.630 1.00 0.06 H HETATM 1868 H30 ARG A 1 14.214 6.907 7.312 1.00 0.08 H HETATM 1869 H29 ARG A 1 16.120 8.563 5.872 1.00 0.19 H HETATM 1870 CB ARG A 1 18.817 8.542 8.709 1.00 -0.01 C HETATM 1871 CG ARG A 1 20.297 8.196 8.715 1.00 -0.04 C HETATM 1872 CD ARG A 1 21.161 9.447 8.669 1.00 -0.01 C HETATM 1873 CE ARG A 1 22.377 9.319 9.573 1.00 -0.04 C HETATM 1874 NZ ARG A 1 22.364 10.328 10.667 1.00 0.22 N HETATM 1875 H26 ARG A 1 23.183 10.211 11.242 1.00 0.20 H HETATM 1876 H27 ARG A 1 21.538 10.202 11.230 1.00 0.20 H HETATM 1877 H28 ARG A 1 22.362 11.254 10.270 1.00 0.20 H HETATM 1878 H24 ARG A 1 23.285 9.461 8.969 1.00 0.08 H HETATM 1879 H25 ARG A 1 22.385 8.313 10.017 1.00 0.08 H HETATM 1880 H22 ARG A 1 20.561 10.308 8.998 1.00 0.03 H HETATM 1881 H23 ARG A 1 21.500 9.609 7.635 1.00 0.03 H HETATM 1882 H20 ARG A 1 20.522 7.573 7.837 1.00 0.03 H HETATM 1883 H21 ARG A 1 20.529 7.635 9.632 1.00 0.03 H HETATM 1884 H18 ARG A 1 18.331 8.005 9.537 1.00 0.03 H HETATM 1885 H19 ARG A 1 18.713 9.626 8.864 1.00 0.03 H HETATM 1886 H17 ARG A 1 18.583 7.270 6.990 1.00 0.08 H HETATM 1887 H16 ARG A 1 18.746 9.088 5.592 1.00 0.19 H HETATM 1888 CB ARG A 1 19.160 12.283 5.796 1.00 0.01 C HETATM 1889 CG ARG A 1 19.491 13.273 4.692 1.00 -0.01 C HETATM 1890 CD ARG A 1 20.732 14.083 5.026 1.00 0.06 C HETATM 1891 NE ARG A 1 21.960 13.355 4.718 1.00 -0.27 N HETATM 1892 CZ ARG A 1 22.607 13.455 3.560 1.00 0.29 C HETATM 1893 NH1 ARG A 1 22.146 14.251 2.604 1.00 -0.28 N HETATM 1894 H12 ARG A 1 22.650 14.326 1.709 1.00 0.26 H HETATM 1895 H13 ARG A 1 21.284 14.794 2.757 1.00 0.26 H HETATM 1896 NH2 ARG A 1 23.717 12.759 3.358 1.00 -0.28 N HETATM 1897 H14 ARG A 1 24.078 12.140 4.098 1.00 0.26 H HETATM 1898 H15 ARG A 1 24.218 12.837 2.462 1.00 0.26 H HETATM 1899 H11 ARG A 1 22.347 12.729 5.438 1.00 0.26 H HETATM 1900 H9 ARG A 1 20.721 14.323 6.099 1.00 0.07 H HETATM 1901 H10 ARG A 1 20.716 15.015 4.442 1.00 0.07 H HETATM 1902 H7 ARG A 1 18.641 13.959 4.560 1.00 0.03 H HETATM 1903 H8 ARG A 1 19.665 12.721 3.757 1.00 0.03 H HETATM 1904 H5 ARG A 1 20.002 11.582 5.899 1.00 0.03 H HETATM 1905 H6 ARG A 1 19.029 12.840 6.736 1.00 0.03 H HETATM 1906 H4 ARG A 1 17.987 10.950 4.569 1.00 0.11 H HETATM 1907 H1 ARG A 1 16.905 13.085 4.714 1.00 0.20 H HETATM 1908 H2 ARG A 1 16.639 12.900 6.328 1.00 0.20 H HETATM 1909 H3 ARG A 1 15.897 11.901 5.250 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1695 1696 1907 1908 1909 CONECT 1696 1695 1697 1888 1906 CONECT 1697 1696 1698 1699 CONECT 1698 1697 CONECT 1699 1697 1700 1887 CONECT 1700 1699 1701 1870 1886 CONECT 1701 1700 1702 1703 CONECT 1702 1701 CONECT 1703 1701 1704 1869 CONECT 1704 1703 1705 1863 1868 CONECT 1705 1704 1706 1707 CONECT 1706 1705 CONECT 1707 1705 1708 1862 CONECT 1708 1707 1709 1848 1861 CONECT 1709 1708 1710 1711 CONECT 1710 1709 CONECT 1711 1709 1712 1847 CONECT 1712 1711 1713 1838 1846 CONECT 1713 1712 1714 1715 CONECT 1714 1713 CONECT 1715 1713 1716 1837 CONECT 1716 1715 1717 1823 1836 CONECT 1717 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 1720 1822 CONECT 1720 1719 1721 1806 1821 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 1724 1805 CONECT 1724 1723 1725 1800 1804 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1799 CONECT 1728 1727 1729 1787 1798 CONECT 1729 1728 1730 1731 CONECT 1730 1729 CONECT 1731 1729 1732 1786 CONECT 1732 1731 1733 1775 1785 CONECT 1733 1732 1734 1735 CONECT 1734 1733 CONECT 1735 1733 1736 1774 CONECT 1736 1735 1737 1762 1773 CONECT 1737 1736 1738 1739 CONECT 1738 1737 CONECT 1739 1737 1740 1761 CONECT 1740 1739 1741 1744 1760 CONECT 1741 1740 1742 1743 CONECT 1742 1741 CONECT 1743 1741 CONECT 1744 1740 1745 1758 1759 CONECT 1745 1744 1746 1756 1757 CONECT 1746 1745 1747 1754 1755 CONECT 1747 1746 1748 1752 1753 CONECT 1748 1747 1749 1750 1751 CONECT 1749 1748 CONECT 1750 1748 CONECT 1751 1748 CONECT 1752 1747 CONECT 1753 1747 CONECT 1754 1746 CONECT 1755 1746 CONECT 1756 1745 CONECT 1757 1745 CONECT 1758 1744 CONECT 1759 1744 CONECT 1760 1740 CONECT 1761 1739 CONECT 1762 1736 1763 1771 1772 CONECT 1763 1762 1764 1769 1770 CONECT 1764 1763 1765 1766 CONECT 1765 1764 CONECT 1766 1764 1767 1768 CONECT 1767 1766 CONECT 1768 1766 CONECT 1769 1763 CONECT 1770 1763 CONECT 1771 1762 CONECT 1772 1762 CONECT 1773 1736 CONECT 1774 1735 CONECT 1775 1732 1776 1780 1784 CONECT 1776 1775 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1775 1781 1782 1783 CONECT 1781 1780 CONECT 1782 1780 CONECT 1783 1780 CONECT 1784 1775 CONECT 1785 1732 CONECT 1786 1731 CONECT 1787 1728 1788 1796 1797 CONECT 1788 1787 1789 1794 1795 CONECT 1789 1788 1790 1791 CONECT 1790 1789 CONECT 1791 1789 1792 1793 CONECT 1792 1791 CONECT 1793 1791 CONECT 1794 1788 CONECT 1795 1788 CONECT 1796 1787 CONECT 1797 1787 CONECT 1798 1728 CONECT 1799 1727 CONECT 1800 1724 1801 1802 1803 CONECT 1801 1800 CONECT 1802 1800 CONECT 1803 1800 CONECT 1804 1724 CONECT 1805 1723 CONECT 1806 1720 1807 1819 1820 CONECT 1807 1806 1808 1812 CONECT 1808 1807 1809 1818 CONECT 1809 1808 1810 1817 CONECT 1810 1809 1811 1815 CONECT 1811 1810 1812 1814 CONECT 1812 1807 1811 1813 CONECT 1813 1812 CONECT 1814 1811 CONECT 1815 1810 1816 CONECT 1816 1815 CONECT 1817 1809 CONECT 1818 1808 CONECT 1819 1806 CONECT 1820 1806 CONECT 1821 1720 CONECT 1822 1719 CONECT 1823 1716 1824 1831 1835 CONECT 1824 1823 1825 1829 1830 CONECT 1825 1824 1826 1827 1828 CONECT 1826 1825 CONECT 1827 1825 CONECT 1828 1825 CONECT 1829 1824 CONECT 1830 1824 CONECT 1831 1823 1832 1833 1834 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1831 CONECT 1835 1823 CONECT 1836 1716 CONECT 1837 1715 CONECT 1838 1712 1839 1841 1845 CONECT 1839 1838 1840 CONECT 1840 1839 CONECT 1841 1838 1842 1843 1844 CONECT 1842 1841 CONECT 1843 1841 CONECT 1844 1841 CONECT 1845 1838 CONECT 1846 1712 CONECT 1847 1711 CONECT 1848 1708 1849 1859 1860 CONECT 1849 1848 1850 1854 1858 CONECT 1850 1849 1851 1852 1853 CONECT 1851 1850 CONECT 1852 1850 CONECT 1853 1850 CONECT 1854 1849 1855 1856 1857 CONECT 1855 1854 CONECT 1856 1854 CONECT 1857 1854 CONECT 1858 1849 CONECT 1859 1848 CONECT 1860 1848 CONECT 1861 1708 CONECT 1862 1707 CONECT 1863 1704 1864 1866 1867 CONECT 1864 1863 1865 CONECT 1865 1864 CONECT 1866 1863 CONECT 1867 1863 CONECT 1868 1704 CONECT 1869 1703 CONECT 1870 1700 1871 1884 1885 CONECT 1871 1870 1872 1882 1883 CONECT 1872 1871 1873 1880 1881 CONECT 1873 1872 1874 1878 1879 CONECT 1874 1873 1875 1876 1877 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1874 CONECT 1878 1873 CONECT 1879 1873 CONECT 1880 1872 CONECT 1881 1872 CONECT 1882 1871 CONECT 1883 1871 CONECT 1884 1870 CONECT 1885 1870 CONECT 1886 1700 CONECT 1887 1699 CONECT 1888 1696 1889 1904 1905 CONECT 1889 1888 1890 1902 1903 CONECT 1890 1889 1891 1900 1901 CONECT 1891 1890 1892 1899 CONECT 1892 1891 1893 1896 CONECT 1893 1892 1894 1895 CONECT 1894 1893 CONECT 1895 1893 CONECT 1896 1892 1897 1898 CONECT 1897 1896 CONECT 1898 1896 CONECT 1899 1891 CONECT 1900 1890 CONECT 1901 1890 CONECT 1902 1889 CONECT 1903 1889 CONECT 1904 1888 CONECT 1905 1888 CONECT 1906 1696 CONECT 1907 1695 CONECT 1908 1695 CONECT 1909 1695 MASTER 0 0 0 0 0 0 0 0 1908 1 219 9 END
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Related entries of code: 1ka7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1d4t
RCSB PDB
PDBbind
11aa, >1D4T_2|Chain... at 100%
1d4w
RCSB PDB
PDBbind
11aa, >1D4W_2|Chains... at 100%
1i3z
RCSB PDB
PDBbind
14aa, >1I3Z_2|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
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4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
1ka7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
sh2 domain protein 1a
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.60uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
EMBO J. v21 pp. 314-23, 2002
Ligand Properties
Formula
C
6
4
H
1
1
5
N
1
9
O
1
8
Molecular Weight
1438.710
Exact Mass
1437.870
No. of atoms
216
No. of bonds
216
Polar Surface Area
653.2
LOGP Value
-3.62 (
Computed with XLOGP3
)
-3.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])CCC(=O)N)C(C)C)CCC(=O)N)C)Cc1ccc(cc1)O)[C@H](CC)C)[C@H](O)C)CC(C)C)CO)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C64H111N19O18/c1-9-34(6)50(82-62(99)51(36(8)85)83-58(95)44(29-32(2)3)78-59(96)46(31-84)80-54(91)40(16-10-12-26-65)75-53(90)39(67)15-14-28-72-64(70)71)61(98)79-45(30-37-18-20-38(86)21-19-37)57(94)73-35(7)52(89)74-42(23-25-48(69)88)56(93)81-49(33(4)5)60(97)76-41(22-24-47(68)87)55(92)77-43(63(100)101)17-11-13-27-66/h18-21,32-36,39-46,49-51,84-86H,9-17,22-31,65-67H2,1-8H3,(H2,68,87)(H2,69,88)(H,73,94)(H,74,89)(H,75,90)(H,76,97)(H,77,92)(H,78,96)(H,79,98)(H,80,91)(H,81,93)(H,82,99)(H,83,95)(H,100,101)(H4,70,71,72)/p+4/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-,50-,51-/m0/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):
O60880
Q13291
Entrez Gene ID
NCBI Entrez Gene ID:
4068
6504
ASD
Information of known allosteric effects of PDB entries
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