Browse entries in the PDBbind-CN Database
HEADER 2KZU_COMPLEX COMPND 2KZU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 GLY SER HIS MET GLY LYS LYS CYS TYR LYS LEU GLU ASN SEQRES 2 A 94 GLU LYS LEU PHE GLU GLU PHE LEU GLU LEU CYS LYS MET SEQRES 3 A 94 GLN THR ALA ASP HIS PRO GLU VAL VAL PRO PHE LEU TYR SEQRES 4 A 94 ASN ARG GLN GLN ARG ALA HIS SER LEU PHE LEU ALA SER SEQRES 5 A 94 ALA GLU PHE CYS ASN ILE LEU SER ARG VAL LEU SER ARG SEQRES 6 A 94 ALA ARG SER ARG PRO ALA LYS LEU TYR VAL TYR ILE ASN SEQRES 7 A 94 GLU LEU CYS THR VAL LEU LYS ALA HIS SER ALA LYS LYS SEQRES 8 A 94 LYS LEU ASN HET GLY A 95 278 ATOM 1 N GLY A 51 -26.928 -3.254 3.289 1.00 10.57 N ATOM 2 CA GLY A 51 -26.273 -2.608 2.130 1.00 9.93 C ATOM 3 C GLY A 51 -24.860 -3.106 1.937 1.00 9.27 C ATOM 4 O GLY A 51 -24.646 -4.166 1.348 1.00 9.29 O ATOM 5 HA3 GLY A 51 -26.249 -1.531 2.293 1.00 0.00 H ATOM 6 HA2 GLY A 51 -26.850 -2.825 1.231 1.00 0.00 H ATOM 7 HN3 GLY A 51 -26.386 -3.046 4.152 1.00 0.00 H ATOM 8 HN2 GLY A 51 -26.961 -4.283 3.138 1.00 0.00 H ATOM 9 HN1 GLY A 51 -27.896 -2.886 3.388 1.00 0.00 H ATOM 10 N SER A 52 -23.895 -2.353 2.441 1.00 8.95 N ATOM 11 CA SER A 52 -22.498 -2.737 2.340 1.00 8.59 C ATOM 12 C SER A 52 -21.829 -2.645 3.707 1.00 7.80 C ATOM 13 O SER A 52 -21.449 -3.657 4.301 1.00 7.91 O ATOM 14 CB SER A 52 -21.777 -1.832 1.337 1.00 9.23 C ATOM 15 OG SER A 52 -22.475 -1.779 0.104 1.00 9.51 O ATOM 16 HA SER A 52 -22.439 -3.768 1.990 1.00 0.00 H ATOM 17 HB2 SER A 52 -20.774 -2.222 1.162 1.00 0.00 H ATOM 18 HB3 SER A 52 -21.708 -0.826 1.751 1.00 0.00 H ATOM 19 HG SER A 52 -21.988 -1.189 -0.524 1.00 0.00 H ATOM 20 H SER A 52 -24.143 -1.465 2.921 1.00 0.00 H ATOM 21 N HIS A 53 -21.721 -1.423 4.211 1.00 7.28 N ATOM 22 CA HIS A 53 -21.066 -1.165 5.485 1.00 6.80 C ATOM 23 C HIS A 53 -21.549 0.170 6.050 1.00 5.91 C ATOM 24 O HIS A 53 -22.567 0.229 6.735 1.00 6.03 O ATOM 25 CB HIS A 53 -19.543 -1.158 5.298 1.00 7.25 C ATOM 26 CG HIS A 53 -18.766 -1.062 6.575 1.00 7.97 C ATOM 27 ND1 HIS A 53 -18.020 0.049 6.877 1.00 8.46 N ATOM 28 CD2 HIS A 53 -18.634 -1.969 7.570 1.00 8.53 C ATOM 29 CE1 HIS A 53 -17.450 -0.206 8.041 1.00 9.23 C ATOM 30 NE2 HIS A 53 -17.793 -1.421 8.503 1.00 9.30 N ATOM 31 HA HIS A 53 -21.321 -1.955 6.192 1.00 0.00 H ATOM 32 HB2 HIS A 53 -19.257 -2.080 4.792 1.00 0.00 H ATOM 33 HB3 HIS A 53 -19.279 -0.305 4.673 1.00 0.00 H ATOM 34 HD2 HIS A 53 -19.107 -2.950 7.620 1.00 0.00 H ATOM 35 HE1 HIS A 53 -16.785 0.483 8.562 1.00 0.00 H ATOM 36 H HIS A 53 -22.117 -0.623 3.678 1.00 0.00 H ATOM 37 N MET A 54 -20.835 1.240 5.721 1.00 5.30 N ATOM 38 CA MET A 54 -21.226 2.583 6.132 1.00 4.57 C ATOM 39 C MET A 54 -22.372 3.083 5.255 1.00 4.14 C ATOM 40 O MET A 54 -23.140 3.962 5.645 1.00 4.31 O ATOM 41 CB MET A 54 -20.022 3.526 6.032 1.00 4.58 C ATOM 42 CG MET A 54 -20.304 4.952 6.481 1.00 4.17 C ATOM 43 SD MET A 54 -18.858 6.023 6.328 1.00 4.68 S ATOM 44 CE MET A 54 -17.713 5.230 7.457 1.00 5.36 C ATOM 45 HA MET A 54 -21.567 2.559 7.167 1.00 0.00 H ATOM 46 HB2 MET A 54 -19.221 3.124 6.653 1.00 0.00 H ATOM 47 HB3 MET A 54 -19.695 3.554 4.993 1.00 0.00 H ATOM 48 HG2 MET A 54 -20.618 4.935 7.525 1.00 0.00 H ATOM 49 HG3 MET A 54 -21.108 5.360 5.868 1.00 0.00 H ATOM 50 HE1 MET A 54 -18.141 5.221 8.459 1.00 0.00 H ATOM 51 HE2 MET A 54 -17.531 4.207 7.129 1.00 0.00 H ATOM 52 HE3 MET A 54 -16.773 5.782 7.467 1.00 0.00 H ATOM 53 H MET A 54 -19.972 1.117 5.154 1.00 0.00 H ATOM 54 N GLY A 55 -22.491 2.488 4.077 1.00 4.00 N ATOM 55 CA GLY A 55 -23.532 2.867 3.145 1.00 3.88 C ATOM 56 C GLY A 55 -23.114 2.618 1.716 1.00 3.32 C ATOM 57 O GLY A 55 -22.650 1.529 1.381 1.00 3.61 O ATOM 58 HA3 GLY A 55 -23.751 3.927 3.270 1.00 0.00 H ATOM 59 HA2 GLY A 55 -24.428 2.284 3.359 1.00 0.00 H ATOM 60 H GLY A 55 -21.824 1.734 3.817 1.00 0.00 H ATOM 61 N LYS A 56 -23.262 3.631 0.879 1.00 2.94 N ATOM 62 CA LYS A 56 -22.824 3.561 -0.507 1.00 2.69 C ATOM 63 C LYS A 56 -21.573 4.410 -0.695 1.00 2.34 C ATOM 64 O LYS A 56 -21.301 4.916 -1.784 1.00 2.48 O ATOM 65 CB LYS A 56 -23.933 4.047 -1.435 1.00 2.93 C ATOM 66 CG LYS A 56 -24.441 5.430 -1.074 1.00 3.20 C ATOM 67 CD LYS A 56 -25.402 5.973 -2.119 1.00 3.88 C ATOM 68 CE LYS A 56 -24.715 6.205 -3.456 1.00 4.35 C ATOM 69 NZ LYS A 56 -25.651 6.752 -4.472 1.00 4.58 N ATOM 70 HA LYS A 56 -22.592 2.525 -0.754 1.00 0.00 H ATOM 71 HB2 LYS A 56 -23.548 4.073 -2.454 1.00 0.00 H ATOM 72 HB3 LYS A 56 -24.765 3.345 -1.380 1.00 0.00 H ATOM 73 HG2 LYS A 56 -24.956 5.377 -0.115 1.00 0.00 H ATOM 74 HG3 LYS A 56 -23.591 6.107 -0.991 1.00 0.00 H ATOM 75 HD2 LYS A 56 -26.212 5.257 -2.258 1.00 0.00 H ATOM 76 HD3 LYS A 56 -25.811 6.919 -1.764 1.00 0.00 H ATOM 77 HE2 LYS A 56 -24.317 5.257 -3.817 1.00 0.00 H ATOM 78 HE3 LYS A 56 -23.896 6.911 -3.314 1.00 0.00 H ATOM 79 HZ1 LYS A 56 -26.432 6.081 -4.619 1.00 0.00 H ATOM 80 HZ2 LYS A 56 -26.031 7.661 -4.138 1.00 0.00 H ATOM 81 HZ3 LYS A 56 -25.143 6.895 -5.368 1.00 0.00 H ATOM 82 H LYS A 56 -23.706 4.506 1.223 1.00 0.00 H ATOM 83 N LYS A 57 -20.838 4.568 0.397 1.00 2.10 N ATOM 84 CA LYS A 57 -19.611 5.358 0.424 1.00 1.85 C ATOM 85 C LYS A 57 -18.631 4.956 -0.661 1.00 1.54 C ATOM 86 O LYS A 57 -18.563 3.796 -1.068 1.00 1.68 O ATOM 87 CB LYS A 57 -18.931 5.229 1.775 1.00 1.99 C ATOM 88 CG LYS A 57 -19.328 6.303 2.763 1.00 1.98 C ATOM 89 CD LYS A 57 -18.906 7.678 2.281 1.00 2.02 C ATOM 90 CE LYS A 57 -19.089 8.714 3.371 1.00 2.40 C ATOM 91 NZ LYS A 57 -18.731 10.082 2.912 1.00 3.04 N ATOM 92 HA LYS A 57 -19.905 6.392 0.243 1.00 0.00 H ATOM 93 HB2 LYS A 57 -19.190 4.259 2.199 1.00 0.00 H ATOM 94 HB3 LYS A 57 -17.853 5.282 1.624 1.00 0.00 H ATOM 95 HG2 LYS A 57 -20.411 6.287 2.889 1.00 0.00 H ATOM 96 HG3 LYS A 57 -18.849 6.100 3.721 1.00 0.00 H ATOM 97 HD2 LYS A 57 -17.856 7.648 1.990 1.00 0.00 H ATOM 98 HD3 LYS A 57 -19.513 7.956 1.419 1.00 0.00 H ATOM 99 HE2 LYS A 57 -18.454 8.450 4.217 1.00 0.00 H ATOM 100 HE3 LYS A 57 -20.132 8.711 3.687 1.00 0.00 H ATOM 101 HZ1 LYS A 57 -17.734 10.097 2.615 1.00 0.00 H ATOM 102 HZ2 LYS A 57 -19.337 10.347 2.109 1.00 0.00 H ATOM 103 HZ3 LYS A 57 -18.872 10.756 3.691 1.00 0.00 H ATOM 104 H LYS A 57 -21.150 4.107 1.276 1.00 0.00 H ATOM 105 N CYS A 58 -17.870 5.934 -1.112 1.00 1.34 N ATOM 106 CA CYS A 58 -16.884 5.711 -2.140 1.00 1.07 C ATOM 107 C CYS A 58 -15.612 6.487 -1.828 1.00 0.85 C ATOM 108 O CYS A 58 -15.555 7.704 -1.987 1.00 1.07 O ATOM 109 CB CYS A 58 -17.466 6.129 -3.490 1.00 1.26 C ATOM 110 SG CYS A 58 -17.975 7.867 -3.584 1.00 1.99 S ATOM 111 HA CYS A 58 -16.626 4.653 -2.179 1.00 0.00 H ATOM 112 HB2 CYS A 58 -18.338 5.507 -3.692 1.00 0.00 H ATOM 113 HB3 CYS A 58 -16.711 5.953 -4.256 1.00 0.00 H ATOM 114 HG CYS A 58 -16.883 8.678 -3.348 1.00 0.00 H ATOM 115 H CYS A 58 -17.984 6.889 -0.717 1.00 0.00 H ATOM 116 N TYR A 59 -14.596 5.783 -1.361 1.00 0.57 N ATOM 117 CA TYR A 59 -13.309 6.402 -1.098 1.00 0.44 C ATOM 118 C TYR A 59 -12.344 6.056 -2.216 1.00 0.41 C ATOM 119 O TYR A 59 -11.134 6.216 -2.092 1.00 0.42 O ATOM 120 CB TYR A 59 -12.769 5.984 0.273 1.00 0.66 C ATOM 121 CG TYR A 59 -13.579 6.560 1.403 1.00 0.89 C ATOM 122 CD1 TYR A 59 -14.817 6.036 1.698 1.00 1.04 C ATOM 123 CD2 TYR A 59 -13.119 7.632 2.155 1.00 1.06 C ATOM 124 CE1 TYR A 59 -15.595 6.556 2.716 1.00 1.27 C ATOM 125 CE2 TYR A 59 -13.884 8.162 3.181 1.00 1.30 C ATOM 126 CZ TYR A 59 -15.122 7.620 3.458 1.00 1.34 C ATOM 127 OH TYR A 59 -15.890 8.138 4.478 1.00 1.64 O ATOM 128 HA TYR A 59 -13.429 7.485 -1.071 1.00 0.00 H ATOM 129 HB3 TYR A 59 -11.740 6.331 0.366 1.00 0.00 H ATOM 130 HB2 TYR A 59 -12.792 4.896 0.343 1.00 0.00 H ATOM 131 HD2 TYR A 59 -12.142 8.063 1.935 1.00 0.00 H ATOM 132 HE2 TYR A 59 -13.510 9.002 3.766 1.00 0.00 H ATOM 133 HE1 TYR A 59 -16.575 6.129 2.931 1.00 0.00 H ATOM 134 HD1 TYR A 59 -15.192 5.193 1.117 1.00 0.00 H ATOM 135 HH TYR A 59 -16.740 7.634 4.538 1.00 0.00 H ATOM 136 H TYR A 59 -14.720 4.767 -1.178 1.00 0.00 H ATOM 137 N LYS A 60 -12.924 5.600 -3.319 1.00 0.42 N ATOM 138 CA LYS A 60 -12.182 5.225 -4.516 1.00 0.43 C ATOM 139 C LYS A 60 -11.282 6.370 -4.971 1.00 0.40 C ATOM 140 O LYS A 60 -10.064 6.230 -5.000 1.00 0.41 O ATOM 141 CB LYS A 60 -13.181 4.852 -5.618 1.00 0.52 C ATOM 142 CG LYS A 60 -12.561 4.354 -6.914 1.00 1.16 C ATOM 143 CD LYS A 60 -11.754 3.084 -6.710 1.00 1.35 C ATOM 144 CE LYS A 60 -11.699 2.254 -7.984 1.00 1.75 C ATOM 145 NZ LYS A 60 -11.239 3.044 -9.160 1.00 2.29 N ATOM 146 HA LYS A 60 -11.543 4.369 -4.297 1.00 0.00 H ATOM 147 HB2 LYS A 60 -13.832 4.067 -5.232 1.00 0.00 H ATOM 148 HB3 LYS A 60 -13.776 5.736 -5.847 1.00 0.00 H ATOM 149 HG2 LYS A 60 -13.357 4.153 -7.631 1.00 0.00 H ATOM 150 HG3 LYS A 60 -11.904 5.128 -7.310 1.00 0.00 H ATOM 151 HD2 LYS A 60 -10.739 3.351 -6.416 1.00 0.00 H ATOM 152 HD3 LYS A 60 -12.216 2.492 -5.920 1.00 0.00 H ATOM 153 HE2 LYS A 60 -12.696 1.866 -8.192 1.00 0.00 H ATOM 154 HE3 LYS A 60 -11.011 1.422 -7.830 1.00 0.00 H ATOM 155 HZ1 LYS A 60 -11.893 3.836 -9.321 1.00 0.00 H ATOM 156 HZ2 LYS A 60 -10.284 3.413 -8.976 1.00 0.00 H ATOM 157 HZ3 LYS A 60 -11.220 2.432 -10.001 1.00 0.00 H ATOM 158 H LYS A 60 -13.960 5.506 -3.330 1.00 0.00 H ATOM 159 N LEU A 61 -11.897 7.506 -5.293 1.00 0.45 N ATOM 160 CA LEU A 61 -11.168 8.686 -5.755 1.00 0.49 C ATOM 161 C LEU A 61 -10.055 9.069 -4.786 1.00 0.38 C ATOM 162 O LEU A 61 -8.946 9.405 -5.202 1.00 0.41 O ATOM 163 CB LEU A 61 -12.114 9.883 -5.938 1.00 0.62 C ATOM 164 CG LEU A 61 -12.890 10.325 -4.687 1.00 0.63 C ATOM 165 CD1 LEU A 61 -13.288 11.787 -4.801 1.00 0.75 C ATOM 166 CD2 LEU A 61 -14.132 9.470 -4.479 1.00 0.81 C ATOM 167 HA LEU A 61 -10.724 8.428 -6.717 1.00 0.00 H ATOM 168 HB2 LEU A 61 -11.519 10.730 -6.278 1.00 0.00 H ATOM 169 HB3 LEU A 61 -12.841 9.620 -6.706 1.00 0.00 H ATOM 170 HG LEU A 61 -12.234 10.196 -3.826 1.00 0.00 H ATOM 171 HD21 LEU A 61 -14.786 9.564 -5.346 1.00 0.00 H ATOM 172 HD22 LEU A 61 -13.838 8.428 -4.356 1.00 0.00 H ATOM 173 HD23 LEU A 61 -14.659 9.808 -3.587 1.00 0.00 H ATOM 174 HD11 LEU A 61 -12.392 12.400 -4.899 1.00 0.00 H ATOM 175 HD12 LEU A 61 -13.920 11.923 -5.679 1.00 0.00 H ATOM 176 HD13 LEU A 61 -13.837 12.084 -3.907 1.00 0.00 H ATOM 177 H LEU A 61 -12.933 7.556 -5.213 1.00 0.00 H ATOM 178 N GLU A 62 -10.360 9.037 -3.497 1.00 0.33 N ATOM 179 CA GLU A 62 -9.379 9.347 -2.480 1.00 0.30 C ATOM 180 C GLU A 62 -8.220 8.387 -2.505 1.00 0.26 C ATOM 181 O GLU A 62 -7.093 8.795 -2.726 1.00 0.32 O ATOM 182 CB GLU A 62 -10.027 9.301 -1.127 1.00 0.41 C ATOM 183 CG GLU A 62 -10.781 10.558 -0.826 1.00 0.50 C ATOM 184 CD GLU A 62 -9.903 11.793 -0.846 1.00 1.29 C ATOM 185 OE1 GLU A 62 -9.283 12.101 0.194 1.00 1.51 O ATOM 186 OE2 GLU A 62 -9.836 12.469 -1.895 1.00 2.00 O ATOM 187 HA GLU A 62 -8.994 10.346 -2.686 1.00 0.00 H ATOM 188 HB2 GLU A 62 -10.718 8.459 -1.096 1.00 0.00 H ATOM 189 HB3 GLU A 62 -9.254 9.163 -0.370 1.00 0.00 H ATOM 190 HG2 GLU A 62 -11.568 10.678 -1.571 1.00 0.00 H ATOM 191 HG3 GLU A 62 -11.230 10.466 0.163 1.00 0.00 H ATOM 192 H GLU A 62 -11.327 8.783 -3.210 1.00 0.00 H ATOM 193 N ASN A 63 -8.520 7.110 -2.363 1.00 0.24 N ATOM 194 CA ASN A 63 -7.496 6.095 -2.165 1.00 0.23 C ATOM 195 C ASN A 63 -6.605 5.943 -3.389 1.00 0.21 C ATOM 196 O ASN A 63 -5.453 5.540 -3.267 1.00 0.22 O ATOM 197 CB ASN A 63 -8.135 4.756 -1.797 1.00 0.33 C ATOM 198 CG ASN A 63 -8.845 4.800 -0.455 1.00 1.10 C ATOM 199 OD1 ASN A 63 -8.444 5.529 0.449 1.00 2.24 O ATOM 200 ND2 ASN A 63 -9.909 4.022 -0.320 1.00 0.90 N ATOM 201 HA ASN A 63 -6.864 6.423 -1.340 1.00 0.00 H ATOM 202 HB2 ASN A 63 -8.859 4.490 -2.567 1.00 0.00 H ATOM 203 HB3 ASN A 63 -7.355 3.996 -1.755 1.00 0.00 H ATOM 204 HD22 ASN A 63 -10.216 3.419 -1.110 1.00 0.00 H ATOM 205 HD21 ASN A 63 -10.437 4.014 0.576 1.00 0.00 H ATOM 206 H ASN A 63 -9.518 6.820 -2.393 1.00 0.00 H ATOM 207 N GLU A 64 -7.124 6.271 -4.564 1.00 0.23 N ATOM 208 CA GLU A 64 -6.331 6.213 -5.777 1.00 0.29 C ATOM 209 C GLU A 64 -5.250 7.289 -5.778 1.00 0.29 C ATOM 210 O GLU A 64 -4.072 6.994 -5.986 1.00 0.35 O ATOM 211 CB GLU A 64 -7.227 6.358 -7.000 1.00 0.38 C ATOM 212 CG GLU A 64 -8.246 5.244 -7.129 1.00 0.41 C ATOM 213 CD GLU A 64 -8.899 5.202 -8.492 1.00 0.56 C ATOM 214 OE1 GLU A 64 -9.508 6.211 -8.898 1.00 0.69 O ATOM 215 OE2 GLU A 64 -8.824 4.148 -9.159 1.00 0.88 O ATOM 216 HA GLU A 64 -5.838 5.241 -5.815 1.00 0.00 H ATOM 217 HB2 GLU A 64 -7.758 7.307 -6.930 1.00 0.00 H ATOM 218 HB3 GLU A 64 -6.600 6.359 -7.891 1.00 0.00 H ATOM 219 HG2 GLU A 64 -7.746 4.292 -6.953 1.00 0.00 H ATOM 220 HG3 GLU A 64 -9.020 5.391 -6.376 1.00 0.00 H ATOM 221 H GLU A 64 -8.117 6.575 -4.617 1.00 0.00 H ATOM 222 N LYS A 65 -5.647 8.536 -5.544 1.00 0.27 N ATOM 223 CA LYS A 65 -4.690 9.638 -5.526 1.00 0.30 C ATOM 224 C LYS A 65 -3.901 9.628 -4.233 1.00 0.23 C ATOM 225 O LYS A 65 -2.760 10.058 -4.171 1.00 0.30 O ATOM 226 CB LYS A 65 -5.395 10.963 -5.698 1.00 0.39 C ATOM 227 CG LYS A 65 -6.382 10.938 -6.833 1.00 0.65 C ATOM 228 CD LYS A 65 -6.712 12.331 -7.336 1.00 1.23 C ATOM 229 CE LYS A 65 -5.471 13.035 -7.872 1.00 2.14 C ATOM 230 NZ LYS A 65 -4.746 12.215 -8.886 1.00 2.98 N ATOM 231 HA LYS A 65 -4.001 9.506 -6.360 1.00 0.00 H ATOM 232 HB2 LYS A 65 -5.926 11.201 -4.776 1.00 0.00 H ATOM 233 HB3 LYS A 65 -4.651 11.734 -5.897 1.00 0.00 H ATOM 234 HG2 LYS A 65 -5.959 10.359 -7.654 1.00 0.00 H ATOM 235 HG3 LYS A 65 -7.300 10.462 -6.490 1.00 0.00 H ATOM 236 HD2 LYS A 65 -7.450 12.255 -8.134 1.00 0.00 H ATOM 237 HD3 LYS A 65 -7.126 12.916 -6.515 1.00 0.00 H ATOM 238 HE2 LYS A 65 -4.797 13.240 -7.040 1.00 0.00 H ATOM 239 HE3 LYS A 65 -5.773 13.975 -8.333 1.00 0.00 H ATOM 240 HZ1 LYS A 65 -4.446 11.318 -8.454 1.00 0.00 H ATOM 241 HZ2 LYS A 65 -5.378 12.021 -9.689 1.00 0.00 H ATOM 242 HZ3 LYS A 65 -3.911 12.737 -9.219 1.00 0.00 H ATOM 243 H LYS A 65 -6.654 8.729 -5.371 1.00 0.00 H ATOM 244 N LEU A 66 -4.543 9.153 -3.199 1.00 0.16 N ATOM 245 CA LEU A 66 -3.901 8.937 -1.917 1.00 0.15 C ATOM 246 C LEU A 66 -2.732 7.977 -2.055 1.00 0.15 C ATOM 247 O LEU A 66 -1.629 8.238 -1.582 1.00 0.18 O ATOM 248 CB LEU A 66 -4.924 8.341 -0.968 1.00 0.15 C ATOM 249 CG LEU A 66 -5.197 9.154 0.267 1.00 0.20 C ATOM 250 CD1 LEU A 66 -6.529 8.745 0.881 1.00 0.24 C ATOM 251 CD2 LEU A 66 -4.044 8.962 1.225 1.00 0.22 C ATOM 252 HA LEU A 66 -3.524 9.887 -1.538 1.00 0.00 H ATOM 253 HB2 LEU A 66 -5.862 8.226 -1.511 1.00 0.00 H ATOM 254 HB3 LEU A 66 -4.564 7.361 -0.655 1.00 0.00 H ATOM 255 HG LEU A 66 -5.276 10.213 0.023 1.00 0.00 H ATOM 256 HD21 LEU A 66 -3.959 7.906 1.483 1.00 0.00 H ATOM 257 HD22 LEU A 66 -3.121 9.297 0.752 1.00 0.00 H ATOM 258 HD23 LEU A 66 -4.223 9.545 2.129 1.00 0.00 H ATOM 259 HD11 LEU A 66 -7.328 8.913 0.158 1.00 0.00 H ATOM 260 HD12 LEU A 66 -6.495 7.689 1.148 1.00 0.00 H ATOM 261 HD13 LEU A 66 -6.714 9.341 1.774 1.00 0.00 H ATOM 262 H LEU A 66 -5.552 8.921 -3.299 1.00 0.00 H ATOM 263 N PHE A 67 -3.007 6.850 -2.684 1.00 0.14 N ATOM 264 CA PHE A 67 -2.002 5.840 -2.944 1.00 0.15 C ATOM 265 C PHE A 67 -0.816 6.428 -3.695 1.00 0.17 C ATOM 266 O PHE A 67 0.338 6.123 -3.388 1.00 0.20 O ATOM 267 CB PHE A 67 -2.608 4.694 -3.750 1.00 0.15 C ATOM 268 CG PHE A 67 -1.946 3.387 -3.486 1.00 0.16 C ATOM 269 CD1 PHE A 67 -0.831 2.992 -4.197 1.00 0.17 C ATOM 270 CD2 PHE A 67 -2.447 2.557 -2.508 1.00 0.17 C ATOM 271 CE1 PHE A 67 -0.223 1.781 -3.933 1.00 0.19 C ATOM 272 CE2 PHE A 67 -1.851 1.349 -2.235 1.00 0.18 C ATOM 273 CZ PHE A 67 -0.734 0.955 -2.948 1.00 0.19 C ATOM 274 HA PHE A 67 -1.647 5.461 -1.986 1.00 0.00 H ATOM 275 HB2 PHE A 67 -3.664 4.608 -3.493 1.00 0.00 H ATOM 276 HB3 PHE A 67 -2.511 4.925 -4.811 1.00 0.00 H ATOM 277 HD2 PHE A 67 -3.328 2.862 -1.943 1.00 0.00 H ATOM 278 HE2 PHE A 67 -2.258 0.703 -1.458 1.00 0.00 H ATOM 279 HZ PHE A 67 -0.258 -0.002 -2.735 1.00 0.00 H ATOM 280 HE1 PHE A 67 0.657 1.477 -4.499 1.00 0.00 H ATOM 281 HD1 PHE A 67 -0.427 3.642 -4.973 1.00 0.00 H ATOM 282 H PHE A 67 -3.982 6.681 -3.005 1.00 0.00 H ATOM 283 N GLU A 68 -1.090 7.283 -4.673 1.00 0.18 N ATOM 284 CA GLU A 68 -0.018 7.876 -5.443 1.00 0.23 C ATOM 285 C GLU A 68 0.736 8.917 -4.616 1.00 0.19 C ATOM 286 O GLU A 68 1.906 9.150 -4.871 1.00 0.24 O ATOM 287 CB GLU A 68 -0.515 8.467 -6.769 1.00 0.40 C ATOM 288 CG GLU A 68 -1.460 9.625 -6.605 1.00 0.54 C ATOM 289 CD GLU A 68 -1.846 10.280 -7.912 1.00 1.13 C ATOM 290 OE1 GLU A 68 -0.967 10.874 -8.572 1.00 1.81 O ATOM 291 OE2 GLU A 68 -3.034 10.202 -8.290 1.00 1.39 O ATOM 292 HA GLU A 68 0.678 7.077 -5.698 1.00 0.00 H ATOM 293 HB2 GLU A 68 0.350 8.808 -7.339 1.00 0.00 H ATOM 294 HB3 GLU A 68 -1.028 7.681 -7.324 1.00 0.00 H ATOM 295 HG2 GLU A 68 -2.366 9.264 -6.119 1.00 0.00 H ATOM 296 HG3 GLU A 68 -0.983 10.373 -5.972 1.00 0.00 H ATOM 297 H GLU A 68 -2.078 7.527 -4.886 1.00 0.00 H ATOM 298 N GLU A 69 0.098 9.509 -3.592 1.00 0.19 N ATOM 299 CA GLU A 69 0.805 10.457 -2.727 1.00 0.22 C ATOM 300 C GLU A 69 2.027 9.771 -2.131 1.00 0.20 C ATOM 301 O GLU A 69 3.092 10.368 -1.959 1.00 0.28 O ATOM 302 CB GLU A 69 -0.078 10.962 -1.589 1.00 0.26 C ATOM 303 CG GLU A 69 -1.381 11.575 -2.046 1.00 0.34 C ATOM 304 CD GLU A 69 -2.062 12.378 -0.961 1.00 1.02 C ATOM 305 OE1 GLU A 69 -1.586 13.497 -0.670 1.00 1.31 O ATOM 306 OE2 GLU A 69 -3.077 11.910 -0.407 1.00 1.78 O ATOM 307 HA GLU A 69 1.094 11.313 -3.337 1.00 0.00 H ATOM 308 HB2 GLU A 69 -0.306 10.122 -0.933 1.00 0.00 H ATOM 309 HB3 GLU A 69 0.479 11.716 -1.032 1.00 0.00 H ATOM 310 HG2 GLU A 69 -1.179 12.232 -2.892 1.00 0.00 H ATOM 311 HG3 GLU A 69 -2.051 10.775 -2.361 1.00 0.00 H ATOM 312 H GLU A 69 -0.903 9.293 -3.413 1.00 0.00 H ATOM 313 N PHE A 70 1.838 8.499 -1.831 1.00 0.15 N ATOM 314 CA PHE A 70 2.882 7.643 -1.308 1.00 0.13 C ATOM 315 C PHE A 70 3.871 7.273 -2.408 1.00 0.13 C ATOM 316 O PHE A 70 5.078 7.370 -2.227 1.00 0.14 O ATOM 317 CB PHE A 70 2.224 6.390 -0.740 1.00 0.12 C ATOM 318 CG PHE A 70 3.120 5.544 0.110 1.00 0.11 C ATOM 319 CD1 PHE A 70 4.268 4.988 -0.410 1.00 0.11 C ATOM 320 CD2 PHE A 70 2.785 5.284 1.419 1.00 0.11 C ATOM 321 CE1 PHE A 70 5.072 4.181 0.361 1.00 0.11 C ATOM 322 CE2 PHE A 70 3.586 4.483 2.205 1.00 0.11 C ATOM 323 CZ PHE A 70 4.733 3.927 1.674 1.00 0.11 C ATOM 324 HA PHE A 70 3.436 8.163 -0.527 1.00 0.00 H ATOM 325 HB2 PHE A 70 1.372 6.698 -0.134 1.00 0.00 H ATOM 326 HB3 PHE A 70 1.874 5.782 -1.574 1.00 0.00 H ATOM 327 HD2 PHE A 70 1.877 5.716 1.839 1.00 0.00 H ATOM 328 HE2 PHE A 70 3.315 4.289 3.243 1.00 0.00 H ATOM 329 HZ PHE A 70 5.368 3.290 2.290 1.00 0.00 H ATOM 330 HE1 PHE A 70 5.975 3.743 -0.064 1.00 0.00 H ATOM 331 HD1 PHE A 70 4.543 5.190 -1.445 1.00 0.00 H ATOM 332 H PHE A 70 0.892 8.092 -1.978 1.00 0.00 H ATOM 333 N LEU A 71 3.348 6.858 -3.547 1.00 0.14 N ATOM 334 CA LEU A 71 4.164 6.390 -4.655 1.00 0.15 C ATOM 335 C LEU A 71 5.033 7.474 -5.253 1.00 0.16 C ATOM 336 O LEU A 71 6.192 7.241 -5.583 1.00 0.18 O ATOM 337 CB LEU A 71 3.248 5.835 -5.712 1.00 0.17 C ATOM 338 CG LEU A 71 2.639 4.506 -5.339 1.00 0.18 C ATOM 339 CD1 LEU A 71 1.765 4.017 -6.457 1.00 0.22 C ATOM 340 CD2 LEU A 71 3.743 3.525 -5.032 1.00 0.16 C ATOM 341 HA LEU A 71 4.842 5.627 -4.273 1.00 0.00 H ATOM 342 HB2 LEU A 71 2.442 6.549 -5.881 1.00 0.00 H ATOM 343 HB3 LEU A 71 3.818 5.708 -6.632 1.00 0.00 H ATOM 344 HG LEU A 71 2.016 4.613 -4.451 1.00 0.00 H ATOM 345 HD21 LEU A 71 4.376 3.405 -5.912 1.00 0.00 H ATOM 346 HD22 LEU A 71 4.341 3.901 -4.202 1.00 0.00 H ATOM 347 HD23 LEU A 71 3.308 2.563 -4.762 1.00 0.00 H ATOM 348 HD11 LEU A 71 0.970 4.741 -6.638 1.00 0.00 H ATOM 349 HD12 LEU A 71 2.364 3.899 -7.360 1.00 0.00 H ATOM 350 HD13 LEU A 71 1.328 3.057 -6.182 1.00 0.00 H ATOM 351 H LEU A 71 2.314 6.866 -3.655 1.00 0.00 H ATOM 352 N GLU A 72 4.465 8.645 -5.409 1.00 0.16 N ATOM 353 CA GLU A 72 5.187 9.780 -5.942 1.00 0.19 C ATOM 354 C GLU A 72 6.296 10.172 -4.974 1.00 0.18 C ATOM 355 O GLU A 72 7.353 10.655 -5.376 1.00 0.21 O ATOM 356 CB GLU A 72 4.209 10.910 -6.213 1.00 0.24 C ATOM 357 CG GLU A 72 3.064 10.461 -7.113 1.00 0.29 C ATOM 358 CD GLU A 72 3.439 10.417 -8.575 1.00 0.73 C ATOM 359 OE1 GLU A 72 3.420 11.478 -9.229 1.00 1.21 O ATOM 360 OE2 GLU A 72 3.746 9.321 -9.080 1.00 1.17 O ATOM 361 HA GLU A 72 5.664 9.531 -6.890 1.00 0.00 H ATOM 362 HB2 GLU A 72 3.798 11.257 -5.265 1.00 0.00 H ATOM 363 HB3 GLU A 72 4.740 11.729 -6.699 1.00 0.00 H ATOM 364 HG2 GLU A 72 2.752 9.463 -6.805 1.00 0.00 H ATOM 365 HG3 GLU A 72 2.233 11.155 -6.989 1.00 0.00 H ATOM 366 H GLU A 72 3.467 8.762 -5.142 1.00 0.00 H ATOM 367 N LEU A 73 6.038 9.938 -3.693 1.00 0.16 N ATOM 368 CA LEU A 73 7.051 10.048 -2.660 1.00 0.16 C ATOM 369 C LEU A 73 8.060 8.907 -2.784 1.00 0.15 C ATOM 370 O LEU A 73 9.266 9.111 -2.636 1.00 0.18 O ATOM 371 CB LEU A 73 6.372 10.004 -1.291 1.00 0.16 C ATOM 372 CG LEU A 73 7.295 9.743 -0.111 1.00 0.16 C ATOM 373 CD1 LEU A 73 7.524 11.017 0.683 1.00 0.23 C ATOM 374 CD2 LEU A 73 6.705 8.655 0.760 1.00 0.16 C ATOM 375 HA LEU A 73 7.585 10.991 -2.773 1.00 0.00 H ATOM 376 HB2 LEU A 73 5.881 10.964 -1.128 1.00 0.00 H ATOM 377 HB3 LEU A 73 5.622 9.213 -1.313 1.00 0.00 H ATOM 378 HG LEU A 73 8.264 9.409 -0.480 1.00 0.00 H ATOM 379 HD21 LEU A 73 5.729 8.973 1.125 1.00 0.00 H ATOM 380 HD22 LEU A 73 6.596 7.742 0.175 1.00 0.00 H ATOM 381 HD23 LEU A 73 7.367 8.469 1.605 1.00 0.00 H ATOM 382 HD11 LEU A 73 7.979 11.769 0.038 1.00 0.00 H ATOM 383 HD12 LEU A 73 6.569 11.387 1.057 1.00 0.00 H ATOM 384 HD13 LEU A 73 8.187 10.806 1.522 1.00 0.00 H ATOM 385 H LEU A 73 5.072 9.665 -3.419 1.00 0.00 H ATOM 386 N CYS A 74 7.558 7.708 -3.065 1.00 0.13 N ATOM 387 CA CYS A 74 8.401 6.536 -3.214 1.00 0.13 C ATOM 388 C CYS A 74 9.364 6.724 -4.386 1.00 0.15 C ATOM 389 O CYS A 74 10.521 6.331 -4.310 1.00 0.18 O ATOM 390 CB CYS A 74 7.529 5.294 -3.414 1.00 0.16 C ATOM 391 SG CYS A 74 8.406 3.732 -3.216 1.00 0.50 S ATOM 392 HA CYS A 74 8.994 6.400 -2.309 1.00 0.00 H ATOM 393 HB2 CYS A 74 7.113 5.327 -4.421 1.00 0.00 H ATOM 394 HB3 CYS A 74 6.718 5.325 -2.686 1.00 0.00 H ATOM 395 HG CYS A 74 9.429 3.661 -4.139 1.00 0.00 H ATOM 396 H CYS A 74 6.529 7.607 -3.182 1.00 0.00 H ATOM 397 N LYS A 75 8.883 7.358 -5.457 1.00 0.18 N ATOM 398 CA LYS A 75 9.709 7.696 -6.602 1.00 0.22 C ATOM 399 C LYS A 75 10.929 8.522 -6.207 1.00 0.22 C ATOM 400 O LYS A 75 11.962 8.473 -6.869 1.00 0.26 O ATOM 401 CB LYS A 75 8.898 8.478 -7.613 1.00 0.28 C ATOM 402 CG LYS A 75 8.686 7.677 -8.863 1.00 0.57 C ATOM 403 CD LYS A 75 7.514 6.735 -8.732 1.00 0.61 C ATOM 404 CE LYS A 75 6.186 7.477 -8.736 1.00 0.38 C ATOM 405 NZ LYS A 75 6.011 8.336 -9.938 1.00 0.96 N ATOM 406 HA LYS A 75 10.056 6.757 -7.034 1.00 0.00 H ATOM 407 HB2 LYS A 75 7.929 8.726 -7.179 1.00 0.00 H ATOM 408 HB3 LYS A 75 9.429 9.397 -7.863 1.00 0.00 H ATOM 409 HG2 LYS A 75 8.500 8.359 -9.692 1.00 0.00 H ATOM 410 HG3 LYS A 75 9.585 7.096 -9.067 1.00 0.00 H ATOM 411 HD2 LYS A 75 7.529 6.035 -9.567 1.00 0.00 H ATOM 412 HD3 LYS A 75 7.607 6.184 -7.796 1.00 0.00 H ATOM 413 HE2 LYS A 75 6.135 8.106 -7.847 1.00 0.00 H ATOM 414 HE3 LYS A 75 5.378 6.746 -8.709 1.00 0.00 H ATOM 415 HZ1 LYS A 75 6.772 9.044 -9.970 1.00 0.00 H ATOM 416 HZ2 LYS A 75 6.049 7.745 -10.793 1.00 0.00 H ATOM 417 HZ3 LYS A 75 5.090 8.817 -9.888 1.00 0.00 H ATOM 418 H LYS A 75 7.877 7.620 -5.472 1.00 0.00 H ATOM 419 N MET A 76 10.798 9.279 -5.125 1.00 0.22 N ATOM 420 CA MET A 76 11.865 10.157 -4.677 1.00 0.26 C ATOM 421 C MET A 76 12.828 9.378 -3.810 1.00 0.25 C ATOM 422 O MET A 76 14.047 9.493 -3.932 1.00 0.32 O ATOM 423 CB MET A 76 11.300 11.317 -3.852 1.00 0.29 C ATOM 424 CG MET A 76 10.120 12.021 -4.484 1.00 0.27 C ATOM 425 SD MET A 76 9.589 13.468 -3.541 1.00 0.32 S ATOM 426 CE MET A 76 9.267 12.728 -1.943 1.00 0.35 C ATOM 427 HA MET A 76 12.375 10.553 -5.555 1.00 0.00 H ATOM 428 HB2 MET A 76 10.985 10.925 -2.885 1.00 0.00 H ATOM 429 HB3 MET A 76 12.094 12.049 -3.705 1.00 0.00 H ATOM 430 HG2 MET A 76 9.288 11.320 -4.547 1.00 0.00 H ATOM 431 HG3 MET A 76 10.400 12.341 -5.487 1.00 0.00 H ATOM 432 HE1 MET A 76 8.494 11.966 -2.046 1.00 0.00 H ATOM 433 HE2 MET A 76 10.182 12.271 -1.565 1.00 0.00 H ATOM 434 HE3 MET A 76 8.930 13.498 -1.249 1.00 0.00 H ATOM 435 H MET A 76 9.910 9.243 -4.585 1.00 0.00 H ATOM 436 N GLN A 77 12.253 8.572 -2.940 1.00 0.21 N ATOM 437 CA GLN A 77 13.009 7.865 -1.933 1.00 0.22 C ATOM 438 C GLN A 77 13.631 6.591 -2.493 1.00 0.21 C ATOM 439 O GLN A 77 14.848 6.415 -2.444 1.00 0.24 O ATOM 440 CB GLN A 77 12.097 7.553 -0.755 1.00 0.23 C ATOM 441 CG GLN A 77 11.501 8.792 -0.097 1.00 0.30 C ATOM 442 CD GLN A 77 11.071 8.530 1.329 1.00 0.52 C ATOM 443 OE1 GLN A 77 11.641 7.679 2.008 1.00 0.98 O ATOM 444 NE2 GLN A 77 10.086 9.272 1.805 1.00 0.48 N ATOM 445 HA GLN A 77 13.831 8.499 -1.599 1.00 0.00 H ATOM 446 HB2 GLN A 77 11.280 6.924 -1.109 1.00 0.00 H ATOM 447 HB3 GLN A 77 12.674 7.010 -0.007 1.00 0.00 H ATOM 448 HG2 GLN A 77 12.249 9.585 -0.098 1.00 0.00 H ATOM 449 HG3 GLN A 77 10.633 9.112 -0.673 1.00 0.00 H ATOM 450 HE22 GLN A 77 9.629 9.982 1.197 1.00 0.00 H ATOM 451 HE21 GLN A 77 9.768 9.146 2.787 1.00 0.00 H ATOM 452 H GLN A 77 11.222 8.441 -2.980 1.00 0.00 H ATOM 453 N THR A 78 12.808 5.710 -3.044 1.00 0.18 N ATOM 454 CA THR A 78 13.302 4.489 -3.653 1.00 0.20 C ATOM 455 C THR A 78 13.660 4.758 -5.111 1.00 0.22 C ATOM 456 O THR A 78 13.308 3.995 -6.008 1.00 0.24 O ATOM 457 CB THR A 78 12.258 3.355 -3.566 1.00 0.20 C ATOM 458 OG1 THR A 78 11.124 3.652 -4.390 1.00 0.56 O ATOM 459 CG2 THR A 78 11.796 3.159 -2.132 1.00 0.42 C ATOM 460 HA THR A 78 14.190 4.167 -3.108 1.00 0.00 H ATOM 461 HB THR A 78 12.731 2.438 -3.918 1.00 0.00 H ATOM 462 HG1 THR A 78 10.708 4.497 -4.085 1.00 0.00 H ATOM 463 HG23 THR A 78 12.656 2.933 -1.502 1.00 0.00 H ATOM 464 HG21 THR A 78 11.315 4.071 -1.779 1.00 0.00 H ATOM 465 HG22 THR A 78 11.086 2.333 -2.090 1.00 0.00 H ATOM 466 H THR A 78 11.785 5.898 -3.040 1.00 0.00 H ATOM 467 N ALA A 79 14.358 5.861 -5.338 1.00 0.25 N ATOM 468 CA ALA A 79 14.709 6.286 -6.682 1.00 0.30 C ATOM 469 C ALA A 79 15.722 5.336 -7.308 1.00 0.34 C ATOM 470 O ALA A 79 15.806 5.217 -8.530 1.00 0.42 O ATOM 471 CB ALA A 79 15.242 7.706 -6.650 1.00 0.32 C ATOM 472 HA ALA A 79 13.812 6.263 -7.302 1.00 0.00 H ATOM 473 HB1 ALA A 79 14.477 8.371 -6.250 1.00 0.00 H ATOM 474 HB2 ALA A 79 16.128 7.746 -6.016 1.00 0.00 H ATOM 475 HB3 ALA A 79 15.503 8.018 -7.661 1.00 0.00 H ATOM 476 H ALA A 79 14.664 6.440 -4.530 1.00 0.00 H ATOM 477 N ASP A 80 16.486 4.655 -6.463 1.00 0.35 N ATOM 478 CA ASP A 80 17.441 3.658 -6.935 1.00 0.44 C ATOM 479 C ASP A 80 16.793 2.277 -6.953 1.00 0.38 C ATOM 480 O ASP A 80 17.419 1.287 -7.328 1.00 0.44 O ATOM 481 CB ASP A 80 18.697 3.636 -6.056 1.00 0.59 C ATOM 482 CG ASP A 80 18.465 2.968 -4.715 1.00 1.31 C ATOM 483 OD1 ASP A 80 17.795 3.574 -3.851 1.00 2.29 O ATOM 484 OD2 ASP A 80 18.963 1.842 -4.512 1.00 1.68 O ATOM 485 HA ASP A 80 17.739 3.928 -7.948 1.00 0.00 H ATOM 486 HB2 ASP A 80 19.482 3.095 -6.584 1.00 0.00 H ATOM 487 HB3 ASP A 80 19.019 4.663 -5.883 1.00 0.00 H ATOM 488 H ASP A 80 16.402 4.836 -5.442 1.00 0.00 H ATOM 489 N HIS A 81 15.529 2.219 -6.550 1.00 0.35 N ATOM 490 CA HIS A 81 14.779 0.972 -6.554 1.00 0.39 C ATOM 491 C HIS A 81 13.377 1.180 -7.113 1.00 0.34 C ATOM 492 O HIS A 81 12.399 1.259 -6.367 1.00 0.30 O ATOM 493 CB HIS A 81 14.701 0.362 -5.152 1.00 0.49 C ATOM 494 CG HIS A 81 15.808 -0.601 -4.869 1.00 0.86 C ATOM 495 ND1 HIS A 81 15.943 -1.796 -5.539 1.00 2.02 N ATOM 496 CD2 HIS A 81 16.836 -0.546 -3.991 1.00 0.60 C ATOM 497 CE1 HIS A 81 17.001 -2.436 -5.088 1.00 2.11 C ATOM 498 NE2 HIS A 81 17.564 -1.701 -4.148 1.00 1.12 N ATOM 499 HA HIS A 81 15.313 0.275 -7.200 1.00 0.00 H ATOM 500 HB2 HIS A 81 14.746 1.168 -4.420 1.00 0.00 H ATOM 501 HB3 HIS A 81 13.751 -0.163 -5.054 1.00 0.00 H ATOM 502 HD2 HIS A 81 17.047 0.262 -3.291 1.00 0.00 H ATOM 503 HE1 HIS A 81 17.353 -3.408 -5.433 1.00 0.00 H ATOM 504 H HIS A 81 15.062 3.089 -6.223 1.00 0.00 H ATOM 505 N PRO A 82 13.267 1.266 -8.444 1.00 0.39 N ATOM 506 CA PRO A 82 11.992 1.460 -9.130 1.00 0.39 C ATOM 507 C PRO A 82 11.139 0.193 -9.188 1.00 0.35 C ATOM 508 O PRO A 82 10.276 0.066 -10.052 1.00 0.39 O ATOM 509 CB PRO A 82 12.428 1.875 -10.532 1.00 0.50 C ATOM 510 CG PRO A 82 13.720 1.180 -10.736 1.00 0.53 C ATOM 511 CD PRO A 82 14.392 1.198 -9.396 1.00 0.48 C ATOM 512 HA PRO A 82 11.360 2.186 -8.617 1.00 0.00 H ATOM 513 HD3 PRO A 82 14.978 0.292 -9.242 1.00 0.00 H ATOM 514 HD2 PRO A 82 15.039 2.069 -9.297 1.00 0.00 H ATOM 515 HG3 PRO A 82 14.325 1.706 -11.474 1.00 0.00 H ATOM 516 HG2 PRO A 82 13.555 0.155 -11.067 1.00 0.00 H ATOM 517 HB2 PRO A 82 11.696 1.556 -11.274 1.00 0.00 H ATOM 518 HB3 PRO A 82 12.557 2.956 -10.592 1.00 0.00 H ATOM 519 N GLU A 83 11.392 -0.753 -8.290 1.00 0.29 N ATOM 520 CA GLU A 83 10.546 -1.934 -8.180 1.00 0.26 C ATOM 521 C GLU A 83 9.407 -1.678 -7.194 1.00 0.19 C ATOM 522 O GLU A 83 8.298 -2.182 -7.369 1.00 0.22 O ATOM 523 CB GLU A 83 11.342 -3.162 -7.724 1.00 0.33 C ATOM 524 CG GLU A 83 12.626 -3.402 -8.498 1.00 0.49 C ATOM 525 CD GLU A 83 13.846 -2.916 -7.745 1.00 1.32 C ATOM 526 OE1 GLU A 83 13.866 -1.741 -7.346 1.00 2.05 O ATOM 527 OE2 GLU A 83 14.788 -3.707 -7.540 1.00 1.72 O ATOM 528 HA GLU A 83 10.141 -2.136 -9.171 1.00 0.00 H ATOM 529 HB2 GLU A 83 11.597 -3.032 -6.672 1.00 0.00 H ATOM 530 HB3 GLU A 83 10.707 -4.041 -7.836 1.00 0.00 H ATOM 531 HG2 GLU A 83 12.730 -4.471 -8.683 1.00 0.00 H ATOM 532 HG3 GLU A 83 12.567 -2.874 -9.450 1.00 0.00 H ATOM 533 H GLU A 83 12.208 -0.649 -7.654 1.00 0.00 H ATOM 534 N VAL A 84 9.701 -0.887 -6.162 1.00 0.15 N ATOM 535 CA VAL A 84 8.763 -0.616 -5.071 1.00 0.11 C ATOM 536 C VAL A 84 7.439 -0.023 -5.563 1.00 0.11 C ATOM 537 O VAL A 84 6.364 -0.566 -5.311 1.00 0.13 O ATOM 538 CB VAL A 84 9.370 0.398 -4.090 1.00 0.11 C ATOM 539 CG1 VAL A 84 8.516 0.476 -2.853 1.00 0.13 C ATOM 540 CG2 VAL A 84 10.813 0.061 -3.743 1.00 0.14 C ATOM 541 HA VAL A 84 8.572 -1.577 -4.594 1.00 0.00 H ATOM 542 HB VAL A 84 9.387 1.375 -4.574 1.00 0.00 H ATOM 543 HG11 VAL A 84 7.510 0.793 -3.127 1.00 0.00 H ATOM 544 HG12 VAL A 84 8.473 -0.505 -2.380 1.00 0.00 H ATOM 545 HG13 VAL A 84 8.949 1.196 -2.159 1.00 0.00 H ATOM 546 HG21 VAL A 84 10.854 -0.926 -3.282 1.00 0.00 H ATOM 547 HG22 VAL A 84 11.414 0.064 -4.652 1.00 0.00 H ATOM 548 HG23 VAL A 84 11.201 0.805 -3.047 1.00 0.00 H ATOM 549 H VAL A 84 10.640 -0.442 -6.130 1.00 0.00 H ATOM 550 N VAL A 85 7.547 1.100 -6.256 1.00 0.11 N ATOM 551 CA VAL A 85 6.390 1.841 -6.763 1.00 0.13 C ATOM 552 C VAL A 85 5.493 0.970 -7.652 1.00 0.15 C ATOM 553 O VAL A 85 4.303 0.835 -7.370 1.00 0.16 O ATOM 554 CB VAL A 85 6.854 3.102 -7.527 1.00 0.15 C ATOM 555 CG1 VAL A 85 5.686 4.000 -7.883 1.00 0.18 C ATOM 556 CG2 VAL A 85 7.875 3.857 -6.703 1.00 0.15 C ATOM 557 HA VAL A 85 5.793 2.146 -5.904 1.00 0.00 H ATOM 558 HB VAL A 85 7.315 2.782 -8.461 1.00 0.00 H ATOM 559 HG11 VAL A 85 4.987 3.452 -8.515 1.00 0.00 H ATOM 560 HG12 VAL A 85 5.181 4.316 -6.970 1.00 0.00 H ATOM 561 HG13 VAL A 85 6.053 4.875 -8.419 1.00 0.00 H ATOM 562 HG21 VAL A 85 7.427 4.155 -5.755 1.00 0.00 H ATOM 563 HG22 VAL A 85 8.735 3.214 -6.514 1.00 0.00 H ATOM 564 HG23 VAL A 85 8.196 4.744 -7.249 1.00 0.00 H ATOM 565 H VAL A 85 8.498 1.473 -6.449 1.00 0.00 H ATOM 566 N PRO A 86 6.032 0.362 -8.734 1.00 0.17 N ATOM 567 CA PRO A 86 5.260 -0.558 -9.581 1.00 0.20 C ATOM 568 C PRO A 86 4.688 -1.732 -8.791 1.00 0.18 C ATOM 569 O PRO A 86 3.617 -2.237 -9.113 1.00 0.20 O ATOM 570 CB PRO A 86 6.280 -1.061 -10.602 1.00 0.23 C ATOM 571 CG PRO A 86 7.341 -0.023 -10.628 1.00 0.22 C ATOM 572 CD PRO A 86 7.407 0.535 -9.236 1.00 0.17 C ATOM 573 HA PRO A 86 4.399 -0.061 -10.029 1.00 0.00 H ATOM 574 HD3 PRO A 86 8.118 -0.021 -8.626 1.00 0.00 H ATOM 575 HD2 PRO A 86 7.688 1.588 -9.250 1.00 0.00 H ATOM 576 HG3 PRO A 86 7.086 0.762 -11.340 1.00 0.00 H ATOM 577 HG2 PRO A 86 8.298 -0.466 -10.905 1.00 0.00 H ATOM 578 HB2 PRO A 86 6.691 -2.022 -10.292 1.00 0.00 H ATOM 579 HB3 PRO A 86 5.820 -1.164 -11.585 1.00 0.00 H ATOM 580 N PHE A 87 5.409 -2.163 -7.760 1.00 0.16 N ATOM 581 CA PHE A 87 4.937 -3.237 -6.891 1.00 0.15 C ATOM 582 C PHE A 87 3.661 -2.801 -6.181 1.00 0.14 C ATOM 583 O PHE A 87 2.638 -3.488 -6.242 1.00 0.16 O ATOM 584 CB PHE A 87 6.018 -3.601 -5.865 1.00 0.17 C ATOM 585 CG PHE A 87 5.716 -4.810 -5.020 1.00 0.21 C ATOM 586 CD1 PHE A 87 4.504 -5.473 -5.115 1.00 0.44 C ATOM 587 CD2 PHE A 87 6.658 -5.280 -4.128 1.00 0.21 C ATOM 588 CE1 PHE A 87 4.239 -6.575 -4.338 1.00 0.52 C ATOM 589 CE2 PHE A 87 6.400 -6.383 -3.346 1.00 0.25 C ATOM 590 CZ PHE A 87 5.189 -7.030 -3.452 1.00 0.38 C ATOM 591 HA PHE A 87 4.723 -4.118 -7.497 1.00 0.00 H ATOM 592 HB2 PHE A 87 6.946 -3.789 -6.405 1.00 0.00 H ATOM 593 HB3 PHE A 87 6.153 -2.749 -5.199 1.00 0.00 H ATOM 594 HD2 PHE A 87 7.618 -4.772 -4.042 1.00 0.00 H ATOM 595 HE2 PHE A 87 7.152 -6.743 -2.645 1.00 0.00 H ATOM 596 HZ PHE A 87 4.983 -7.903 -2.834 1.00 0.00 H ATOM 597 HE1 PHE A 87 3.280 -7.087 -4.423 1.00 0.00 H ATOM 598 HD1 PHE A 87 3.750 -5.116 -5.816 1.00 0.00 H ATOM 599 H PHE A 87 6.332 -1.724 -7.568 1.00 0.00 H ATOM 600 N LEU A 88 3.723 -1.653 -5.521 1.00 0.12 N ATOM 601 CA LEU A 88 2.564 -1.121 -4.820 1.00 0.13 C ATOM 602 C LEU A 88 1.401 -0.928 -5.779 1.00 0.14 C ATOM 603 O LEU A 88 0.253 -1.233 -5.448 1.00 0.16 O ATOM 604 CB LEU A 88 2.909 0.195 -4.129 1.00 0.13 C ATOM 605 CG LEU A 88 3.924 0.082 -2.999 1.00 0.12 C ATOM 606 CD1 LEU A 88 3.917 1.358 -2.171 1.00 0.16 C ATOM 607 CD2 LEU A 88 3.622 -1.139 -2.140 1.00 0.20 C ATOM 608 HA LEU A 88 2.267 -1.841 -4.058 1.00 0.00 H ATOM 609 HB2 LEU A 88 3.312 0.876 -4.879 1.00 0.00 H ATOM 610 HB3 LEU A 88 1.990 0.612 -3.718 1.00 0.00 H ATOM 611 HG LEU A 88 4.921 -0.046 -3.419 1.00 0.00 H ATOM 612 HD21 LEU A 88 2.623 -1.044 -1.715 1.00 0.00 H ATOM 613 HD22 LEU A 88 3.672 -2.037 -2.756 1.00 0.00 H ATOM 614 HD23 LEU A 88 4.355 -1.207 -1.337 1.00 0.00 H ATOM 615 HD11 LEU A 88 4.178 2.204 -2.807 1.00 0.00 H ATOM 616 HD12 LEU A 88 2.923 1.511 -1.750 1.00 0.00 H ATOM 617 HD13 LEU A 88 4.645 1.270 -1.365 1.00 0.00 H ATOM 618 H LEU A 88 4.617 -1.122 -5.504 1.00 0.00 H ATOM 619 N TYR A 89 1.710 -0.445 -6.976 1.00 0.16 N ATOM 620 CA TYR A 89 0.710 -0.329 -8.033 1.00 0.20 C ATOM 621 C TYR A 89 0.097 -1.692 -8.321 1.00 0.21 C ATOM 622 O TYR A 89 -1.122 -1.861 -8.326 1.00 0.25 O ATOM 623 CB TYR A 89 1.336 0.192 -9.333 1.00 0.22 C ATOM 624 CG TYR A 89 1.345 1.692 -9.493 1.00 0.26 C ATOM 625 CD1 TYR A 89 0.161 2.394 -9.673 1.00 0.34 C ATOM 626 CD2 TYR A 89 2.537 2.402 -9.489 1.00 0.28 C ATOM 627 CE1 TYR A 89 0.166 3.766 -9.838 1.00 0.42 C ATOM 628 CE2 TYR A 89 2.551 3.772 -9.656 1.00 0.37 C ATOM 629 CZ TYR A 89 1.363 4.450 -9.830 1.00 0.43 C ATOM 630 OH TYR A 89 1.370 5.817 -9.994 1.00 0.54 O ATOM 631 HA TYR A 89 -0.051 0.371 -7.689 1.00 0.00 H ATOM 632 HB3 TYR A 89 0.778 -0.232 -10.168 1.00 0.00 H ATOM 633 HB2 TYR A 89 2.368 -0.157 -9.373 1.00 0.00 H ATOM 634 HD2 TYR A 89 3.478 1.869 -9.352 1.00 0.00 H ATOM 635 HE2 TYR A 89 3.496 4.315 -9.650 1.00 0.00 H ATOM 636 HE1 TYR A 89 -0.772 4.305 -9.974 1.00 0.00 H ATOM 637 HD1 TYR A 89 -0.786 1.855 -9.684 1.00 0.00 H ATOM 638 HH TYR A 89 0.441 6.140 -10.105 1.00 0.00 H ATOM 639 H TYR A 89 2.687 -0.142 -7.165 1.00 0.00 H ATOM 640 N ASN A 90 0.978 -2.660 -8.526 1.00 0.19 N ATOM 641 CA ASN A 90 0.604 -3.997 -8.944 1.00 0.23 C ATOM 642 C ASN A 90 -0.315 -4.656 -7.926 1.00 0.22 C ATOM 643 O ASN A 90 -1.379 -5.167 -8.278 1.00 0.27 O ATOM 644 CB ASN A 90 1.861 -4.839 -9.131 1.00 0.27 C ATOM 645 CG ASN A 90 1.599 -6.099 -9.921 1.00 0.48 C ATOM 646 OD1 ASN A 90 1.740 -6.123 -11.142 1.00 1.33 O ATOM 647 ND2 ASN A 90 1.212 -7.154 -9.232 1.00 0.67 N ATOM 648 HA ASN A 90 0.063 -3.925 -9.888 1.00 0.00 H ATOM 649 HB2 ASN A 90 2.606 -4.243 -9.659 1.00 0.00 H ATOM 650 HB3 ASN A 90 2.247 -5.115 -8.150 1.00 0.00 H ATOM 651 HD22 ASN A 90 1.105 -7.090 -8.199 1.00 0.00 H ATOM 652 HD21 ASN A 90 1.013 -8.050 -9.721 1.00 0.00 H ATOM 653 H ASN A 90 1.986 -2.451 -8.380 1.00 0.00 H ATOM 654 N ARG A 91 0.094 -4.625 -6.665 1.00 0.19 N ATOM 655 CA ARG A 91 -0.676 -5.234 -5.585 1.00 0.20 C ATOM 656 C ARG A 91 -2.047 -4.573 -5.460 1.00 0.20 C ATOM 657 O ARG A 91 -3.042 -5.245 -5.201 1.00 0.22 O ATOM 658 CB ARG A 91 0.096 -5.133 -4.262 1.00 0.22 C ATOM 659 CG ARG A 91 -0.702 -5.543 -3.027 1.00 0.26 C ATOM 660 CD ARG A 91 -0.978 -7.036 -2.959 1.00 0.36 C ATOM 661 NE ARG A 91 0.261 -7.806 -2.824 1.00 0.80 N ATOM 662 CZ ARG A 91 0.442 -9.036 -3.298 1.00 0.73 C ATOM 663 NH1 ARG A 91 -0.501 -9.621 -4.024 1.00 1.38 N ATOM 664 NH2 ARG A 91 1.577 -9.682 -3.047 1.00 1.25 N ATOM 665 HA ARG A 91 -0.829 -6.288 -5.819 1.00 0.00 H ATOM 666 HB2 ARG A 91 0.973 -5.777 -4.330 1.00 0.00 H ATOM 667 HB3 ARG A 91 0.416 -4.099 -4.133 1.00 0.00 H ATOM 668 HG2 ARG A 91 -0.139 -5.254 -2.139 1.00 0.00 H ATOM 669 HG3 ARG A 91 -1.655 -5.015 -3.039 1.00 0.00 H ATOM 670 HD2 ARG A 91 -1.489 -7.344 -3.871 1.00 0.00 H ATOM 671 HD3 ARG A 91 -1.617 -7.239 -2.100 1.00 0.00 H ATOM 672 HE ARG A 91 1.055 -7.360 -2.322 1.00 0.00 H ATOM 673 HH12 ARG A 91 -0.353 -10.583 -4.391 1.00 0.00 H ATOM 674 HH11 ARG A 91 -1.389 -9.118 -4.226 1.00 0.00 H ATOM 675 HH22 ARG A 91 1.721 -10.643 -3.416 1.00 0.00 H ATOM 676 HH21 ARG A 91 2.321 -9.226 -2.481 1.00 0.00 H ATOM 677 H ARG A 91 0.992 -4.152 -6.438 1.00 0.00 H ATOM 678 N GLN A 92 -2.094 -3.259 -5.668 1.00 0.19 N ATOM 679 CA GLN A 92 -3.350 -2.517 -5.595 1.00 0.21 C ATOM 680 C GLN A 92 -4.294 -2.961 -6.706 1.00 0.24 C ATOM 681 O GLN A 92 -5.506 -3.035 -6.519 1.00 0.26 O ATOM 682 CB GLN A 92 -3.096 -1.012 -5.705 1.00 0.23 C ATOM 683 CG GLN A 92 -4.346 -0.168 -5.496 1.00 0.34 C ATOM 684 CD GLN A 92 -4.120 1.303 -5.793 1.00 0.45 C ATOM 685 OE1 GLN A 92 -3.306 1.659 -6.642 1.00 0.71 O ATOM 686 NE2 GLN A 92 -4.842 2.167 -5.094 1.00 0.78 N ATOM 687 HA GLN A 92 -3.811 -2.726 -4.630 1.00 0.00 H ATOM 688 HB2 GLN A 92 -2.359 -0.730 -4.953 1.00 0.00 H ATOM 689 HB3 GLN A 92 -2.699 -0.801 -6.698 1.00 0.00 H ATOM 690 HG2 GLN A 92 -5.131 -0.540 -6.154 1.00 0.00 H ATOM 691 HG3 GLN A 92 -4.665 -0.269 -4.459 1.00 0.00 H ATOM 692 HE22 GLN A 92 -5.520 1.824 -4.384 1.00 0.00 H ATOM 693 HE21 GLN A 92 -4.730 3.188 -5.255 1.00 0.00 H ATOM 694 H GLN A 92 -1.215 -2.748 -5.888 1.00 0.00 H ATOM 695 N GLN A 93 -3.720 -3.269 -7.859 1.00 0.26 N ATOM 696 CA GLN A 93 -4.499 -3.686 -9.018 1.00 0.32 C ATOM 697 C GLN A 93 -5.179 -5.021 -8.757 1.00 0.34 C ATOM 698 O GLN A 93 -6.308 -5.251 -9.182 1.00 0.40 O ATOM 699 CB GLN A 93 -3.607 -3.803 -10.258 1.00 0.36 C ATOM 700 CG GLN A 93 -2.886 -2.524 -10.631 1.00 0.38 C ATOM 701 CD GLN A 93 -3.824 -1.360 -10.801 1.00 0.44 C ATOM 702 OE1 GLN A 93 -4.336 -1.102 -11.890 1.00 0.71 O ATOM 703 NE2 GLN A 93 -4.056 -0.652 -9.718 1.00 0.57 N ATOM 704 HA GLN A 93 -5.260 -2.927 -9.197 1.00 0.00 H ATOM 705 HB2 GLN A 93 -2.860 -4.574 -10.070 1.00 0.00 H ATOM 706 HB3 GLN A 93 -4.231 -4.102 -11.101 1.00 0.00 H ATOM 707 HG2 GLN A 93 -2.170 -2.284 -9.845 1.00 0.00 H ATOM 708 HG3 GLN A 93 -2.354 -2.684 -11.569 1.00 0.00 H ATOM 709 HE22 GLN A 93 -3.599 -0.910 -8.820 1.00 0.00 H ATOM 710 HE21 GLN A 93 -4.697 0.166 -9.759 1.00 0.00 H ATOM 711 H GLN A 93 -2.685 -3.212 -7.940 1.00 0.00 H ATOM 712 N ARG A 94 -4.483 -5.898 -8.045 1.00 0.33 N ATOM 713 CA ARG A 94 -5.007 -7.222 -7.755 1.00 0.38 C ATOM 714 C ARG A 94 -5.613 -7.278 -6.361 1.00 0.32 C ATOM 715 O ARG A 94 -5.947 -8.353 -5.859 1.00 0.46 O ATOM 716 CB ARG A 94 -3.925 -8.291 -7.922 1.00 0.47 C ATOM 717 CG ARG A 94 -3.492 -8.478 -9.362 1.00 0.70 C ATOM 718 CD ARG A 94 -2.401 -7.508 -9.761 1.00 0.95 C ATOM 719 NE ARG A 94 -2.002 -7.669 -11.157 1.00 1.67 N ATOM 720 CZ ARG A 94 -1.385 -6.723 -11.864 1.00 2.40 C ATOM 721 NH1 ARG A 94 -1.158 -5.532 -11.326 1.00 2.73 N ATOM 722 NH2 ARG A 94 -1.015 -6.961 -13.113 1.00 3.24 N ATOM 723 HA ARG A 94 -5.799 -7.430 -8.474 1.00 0.00 H ATOM 724 HB2 ARG A 94 -3.055 -8.000 -7.333 1.00 0.00 H ATOM 725 HB3 ARG A 94 -4.313 -9.239 -7.550 1.00 0.00 H ATOM 726 HG2 ARG A 94 -3.121 -9.495 -9.488 1.00 0.00 H ATOM 727 HG3 ARG A 94 -4.354 -8.324 -10.011 1.00 0.00 H ATOM 728 HD2 ARG A 94 -1.532 -7.677 -9.126 1.00 0.00 H ATOM 729 HD3 ARG A 94 -2.765 -6.491 -9.615 1.00 0.00 H ATOM 730 HE ARG A 94 -2.211 -8.573 -11.626 1.00 0.00 H ATOM 731 HH12 ARG A 94 -0.676 -4.795 -11.879 1.00 0.00 H ATOM 732 HH11 ARG A 94 -1.462 -5.335 -10.351 1.00 0.00 H ATOM 733 HH22 ARG A 94 -0.534 -6.221 -13.663 1.00 0.00 H ATOM 734 HH21 ARG A 94 -1.206 -7.888 -13.544 1.00 0.00 H ATOM 735 H ARG A 94 -3.543 -5.632 -7.687 1.00 0.00 H ATOM 736 N ALA A 95 -5.730 -6.122 -5.729 1.00 0.28 N ATOM 737 CA ALA A 95 -6.479 -6.000 -4.498 1.00 0.25 C ATOM 738 C ALA A 95 -7.942 -5.754 -4.842 1.00 0.26 C ATOM 739 O ALA A 95 -8.246 -5.051 -5.807 1.00 0.36 O ATOM 740 CB ALA A 95 -5.907 -4.871 -3.649 1.00 0.25 C ATOM 741 HA ALA A 95 -6.403 -6.918 -3.915 1.00 0.00 H ATOM 742 HB1 ALA A 95 -4.864 -5.086 -3.415 1.00 0.00 H ATOM 743 HB2 ALA A 95 -5.970 -3.934 -4.202 1.00 0.00 H ATOM 744 HB3 ALA A 95 -6.478 -4.788 -2.725 1.00 0.00 H ATOM 745 H ALA A 95 -5.271 -5.278 -6.128 1.00 0.00 H ATOM 746 N HIS A 96 -8.835 -6.373 -4.083 1.00 0.29 N ATOM 747 CA HIS A 96 -10.267 -6.266 -4.330 1.00 0.29 C ATOM 748 C HIS A 96 -10.712 -4.808 -4.284 1.00 0.27 C ATOM 749 O HIS A 96 -10.461 -4.100 -3.306 1.00 0.29 O ATOM 750 CB HIS A 96 -11.042 -7.087 -3.303 1.00 0.33 C ATOM 751 CG HIS A 96 -12.420 -7.460 -3.749 1.00 0.37 C ATOM 752 ND1 HIS A 96 -13.499 -6.649 -3.508 1.00 0.38 N ATOM 753 CD2 HIS A 96 -12.833 -8.568 -4.405 1.00 0.45 C ATOM 754 CE1 HIS A 96 -14.542 -7.279 -4.019 1.00 0.46 C ATOM 755 NE2 HIS A 96 -14.189 -8.449 -4.573 1.00 0.50 N ATOM 756 HA HIS A 96 -10.476 -6.659 -5.325 1.00 0.00 H ATOM 757 HB2 HIS A 96 -10.485 -8.002 -3.102 1.00 0.00 H ATOM 758 HB3 HIS A 96 -11.123 -6.504 -2.386 1.00 0.00 H ATOM 759 HD2 HIS A 96 -12.208 -9.397 -4.737 1.00 0.00 H ATOM 760 HE1 HIS A 96 -15.562 -6.896 -3.994 1.00 0.00 H ATOM 761 H HIS A 96 -8.503 -6.953 -3.286 1.00 0.00 H ATOM 762 N SER A 97 -11.381 -4.387 -5.347 1.00 0.32 N ATOM 763 CA SER A 97 -11.747 -2.986 -5.554 1.00 0.37 C ATOM 764 C SER A 97 -12.608 -2.405 -4.425 1.00 0.33 C ATOM 765 O SER A 97 -12.685 -1.185 -4.274 1.00 0.39 O ATOM 766 CB SER A 97 -12.489 -2.847 -6.883 1.00 0.48 C ATOM 767 OG SER A 97 -11.782 -3.485 -7.931 1.00 1.46 O ATOM 768 HA SER A 97 -10.818 -2.416 -5.563 1.00 0.00 H ATOM 769 HB2 SER A 97 -12.600 -1.789 -7.120 1.00 0.00 H ATOM 770 HB3 SER A 97 -13.475 -3.302 -6.790 1.00 0.00 H ATOM 771 HG SER A 97 -12.284 -3.380 -8.778 1.00 0.00 H ATOM 772 H SER A 97 -11.659 -5.084 -6.067 1.00 0.00 H ATOM 773 N LEU A 98 -13.241 -3.259 -3.626 1.00 0.29 N ATOM 774 CA LEU A 98 -14.152 -2.782 -2.598 1.00 0.32 C ATOM 775 C LEU A 98 -13.400 -2.109 -1.463 1.00 0.35 C ATOM 776 O LEU A 98 -13.701 -0.974 -1.100 1.00 0.43 O ATOM 777 CB LEU A 98 -15.002 -3.927 -2.063 1.00 0.35 C ATOM 778 CG LEU A 98 -16.113 -4.397 -3.001 1.00 0.40 C ATOM 779 CD1 LEU A 98 -16.963 -5.455 -2.317 1.00 0.70 C ATOM 780 CD2 LEU A 98 -16.972 -3.222 -3.445 1.00 0.67 C ATOM 781 HA LEU A 98 -14.808 -2.041 -3.054 1.00 0.00 H ATOM 782 HB2 LEU A 98 -14.344 -4.774 -1.866 1.00 0.00 H ATOM 783 HB3 LEU A 98 -15.462 -3.601 -1.130 1.00 0.00 H ATOM 784 HG LEU A 98 -15.657 -4.838 -3.888 1.00 0.00 H ATOM 785 HD21 LEU A 98 -17.422 -2.752 -2.571 1.00 0.00 H ATOM 786 HD22 LEU A 98 -16.350 -2.496 -3.969 1.00 0.00 H ATOM 787 HD23 LEU A 98 -17.757 -3.579 -4.112 1.00 0.00 H ATOM 788 HD11 LEU A 98 -16.336 -6.306 -2.050 1.00 0.00 H ATOM 789 HD12 LEU A 98 -17.409 -5.034 -1.416 1.00 0.00 H ATOM 790 HD13 LEU A 98 -17.751 -5.781 -2.996 1.00 0.00 H ATOM 791 H LEU A 98 -13.082 -4.281 -3.738 1.00 0.00 H ATOM 792 N PHE A 99 -12.413 -2.806 -0.920 1.00 0.32 N ATOM 793 CA PHE A 99 -11.595 -2.270 0.161 1.00 0.34 C ATOM 794 C PHE A 99 -10.889 -0.994 -0.287 1.00 0.34 C ATOM 795 O PHE A 99 -10.800 -0.018 0.462 1.00 0.39 O ATOM 796 CB PHE A 99 -10.576 -3.317 0.610 1.00 0.36 C ATOM 797 CG PHE A 99 -9.611 -2.833 1.655 1.00 0.31 C ATOM 798 CD1 PHE A 99 -10.055 -2.481 2.918 1.00 0.44 C ATOM 799 CD2 PHE A 99 -8.256 -2.733 1.371 1.00 0.38 C ATOM 800 CE1 PHE A 99 -9.168 -2.039 3.880 1.00 0.57 C ATOM 801 CE2 PHE A 99 -7.367 -2.293 2.329 1.00 0.49 C ATOM 802 CZ PHE A 99 -7.823 -1.946 3.586 1.00 0.58 C ATOM 803 HA PHE A 99 -12.241 -2.024 1.004 1.00 0.00 H ATOM 804 HB2 PHE A 99 -11.119 -4.170 1.016 1.00 0.00 H ATOM 805 HB3 PHE A 99 -10.004 -3.633 -0.262 1.00 0.00 H ATOM 806 HD2 PHE A 99 -7.891 -3.005 0.381 1.00 0.00 H ATOM 807 HE2 PHE A 99 -6.305 -2.219 2.095 1.00 0.00 H ATOM 808 HZ PHE A 99 -7.121 -1.599 4.345 1.00 0.00 H ATOM 809 HE1 PHE A 99 -9.530 -1.764 4.871 1.00 0.00 H ATOM 810 HD1 PHE A 99 -11.116 -2.553 3.156 1.00 0.00 H ATOM 811 H PHE A 99 -12.216 -3.763 -1.275 1.00 0.00 H ATOM 812 N LEU A 100 -10.415 -1.005 -1.528 1.00 0.31 N ATOM 813 CA LEU A 100 -9.738 0.148 -2.113 1.00 0.36 C ATOM 814 C LEU A 100 -10.688 1.337 -2.262 1.00 0.45 C ATOM 815 O LEU A 100 -10.256 2.466 -2.461 1.00 0.79 O ATOM 816 CB LEU A 100 -9.179 -0.225 -3.479 1.00 0.37 C ATOM 817 CG LEU A 100 -8.505 -1.591 -3.541 1.00 0.35 C ATOM 818 CD1 LEU A 100 -8.069 -1.886 -4.961 1.00 0.82 C ATOM 819 CD2 LEU A 100 -7.326 -1.658 -2.583 1.00 0.70 C ATOM 820 HA LEU A 100 -8.928 0.438 -1.443 1.00 0.00 H ATOM 821 HB2 LEU A 100 -10.000 -0.219 -4.195 1.00 0.00 H ATOM 822 HB3 LEU A 100 -8.445 0.529 -3.763 1.00 0.00 H ATOM 823 HG LEU A 100 -9.223 -2.351 -3.232 1.00 0.00 H ATOM 824 HD21 LEU A 100 -6.597 -0.894 -2.852 1.00 0.00 H ATOM 825 HD22 LEU A 100 -7.676 -1.485 -1.565 1.00 0.00 H ATOM 826 HD23 LEU A 100 -6.863 -2.643 -2.647 1.00 0.00 H ATOM 827 HD11 LEU A 100 -8.941 -1.884 -5.615 1.00 0.00 H ATOM 828 HD12 LEU A 100 -7.365 -1.122 -5.290 1.00 0.00 H ATOM 829 HD13 LEU A 100 -7.588 -2.864 -4.996 1.00 0.00 H ATOM 830 H LEU A 100 -10.530 -1.864 -2.102 1.00 0.00 H ATOM 831 N ALA A 101 -11.983 1.072 -2.199 1.00 0.28 N ATOM 832 CA ALA A 101 -12.986 2.127 -2.289 1.00 0.33 C ATOM 833 C ALA A 101 -13.674 2.357 -0.944 1.00 0.36 C ATOM 834 O ALA A 101 -14.727 2.992 -0.870 1.00 0.57 O ATOM 835 CB ALA A 101 -14.008 1.779 -3.357 1.00 0.36 C ATOM 836 HA ALA A 101 -12.483 3.054 -2.565 1.00 0.00 H ATOM 837 HB1 ALA A 101 -13.506 1.677 -4.319 1.00 0.00 H ATOM 838 HB2 ALA A 101 -14.496 0.839 -3.099 1.00 0.00 H ATOM 839 HB3 ALA A 101 -14.753 2.572 -3.417 1.00 0.00 H ATOM 840 H ALA A 101 -12.293 0.086 -2.082 1.00 0.00 H ATOM 841 N SER A 102 -13.052 1.871 0.117 1.00 0.34 N ATOM 842 CA SER A 102 -13.627 1.937 1.449 1.00 0.36 C ATOM 843 C SER A 102 -12.830 2.886 2.332 1.00 0.36 C ATOM 844 O SER A 102 -11.656 3.165 2.076 1.00 0.46 O ATOM 845 CB SER A 102 -13.656 0.541 2.072 1.00 0.40 C ATOM 846 OG SER A 102 -14.521 -0.322 1.354 1.00 1.39 O ATOM 847 HA SER A 102 -14.646 2.316 1.369 1.00 0.00 H ATOM 848 HB2 SER A 102 -14.004 0.618 3.102 1.00 0.00 H ATOM 849 HB3 SER A 102 -12.649 0.125 2.061 1.00 0.00 H ATOM 850 HG SER A 102 -14.206 -0.399 0.419 1.00 0.00 H ATOM 851 H SER A 102 -12.120 1.427 -0.007 1.00 0.00 H ATOM 852 N ALA A 103 -13.492 3.373 3.376 1.00 0.35 N ATOM 853 CA ALA A 103 -12.916 4.352 4.286 1.00 0.36 C ATOM 854 C ALA A 103 -11.775 3.765 5.089 1.00 0.29 C ATOM 855 O ALA A 103 -10.892 4.488 5.544 1.00 0.30 O ATOM 856 CB ALA A 103 -13.982 4.872 5.225 1.00 0.44 C ATOM 857 HA ALA A 103 -12.520 5.171 3.685 1.00 0.00 H ATOM 858 HB1 ALA A 103 -14.777 5.343 4.646 1.00 0.00 H ATOM 859 HB2 ALA A 103 -14.393 4.043 5.801 1.00 0.00 H ATOM 860 HB3 ALA A 103 -13.542 5.604 5.902 1.00 0.00 H ATOM 861 H ALA A 103 -14.462 3.041 3.550 1.00 0.00 H ATOM 862 N GLU A 104 -11.794 2.456 5.266 1.00 0.29 N ATOM 863 CA GLU A 104 -10.768 1.802 6.051 1.00 0.30 C ATOM 864 C GLU A 104 -9.409 1.966 5.380 1.00 0.26 C ATOM 865 O GLU A 104 -8.428 2.335 6.023 1.00 0.30 O ATOM 866 CB GLU A 104 -11.094 0.323 6.259 1.00 0.39 C ATOM 867 CG GLU A 104 -10.057 -0.398 7.102 1.00 0.49 C ATOM 868 CD GLU A 104 -10.532 -1.747 7.595 1.00 1.02 C ATOM 869 OE1 GLU A 104 -11.285 -1.784 8.593 1.00 1.15 O ATOM 870 OE2 GLU A 104 -10.144 -2.775 7.007 1.00 1.81 O ATOM 871 HA GLU A 104 -10.733 2.275 7.032 1.00 0.00 H ATOM 872 HB2 GLU A 104 -12.061 0.246 6.756 1.00 0.00 H ATOM 873 HB3 GLU A 104 -11.148 -0.162 5.284 1.00 0.00 H ATOM 874 HG2 GLU A 104 -9.160 -0.544 6.500 1.00 0.00 H ATOM 875 HG3 GLU A 104 -9.817 0.223 7.965 1.00 0.00 H ATOM 876 H GLU A 104 -12.554 1.890 4.837 1.00 0.00 H ATOM 877 N PHE A 105 -9.376 1.742 4.073 1.00 0.22 N ATOM 878 CA PHE A 105 -8.148 1.872 3.302 1.00 0.20 C ATOM 879 C PHE A 105 -7.679 3.328 3.294 1.00 0.19 C ATOM 880 O PHE A 105 -6.483 3.604 3.194 1.00 0.16 O ATOM 881 CB PHE A 105 -8.371 1.361 1.876 1.00 0.21 C ATOM 882 CG PHE A 105 -7.107 1.235 1.078 1.00 0.18 C ATOM 883 CD1 PHE A 105 -6.006 0.591 1.612 1.00 0.18 C ATOM 884 CD2 PHE A 105 -7.020 1.756 -0.202 1.00 0.18 C ATOM 885 CE1 PHE A 105 -4.838 0.473 0.890 1.00 0.17 C ATOM 886 CE2 PHE A 105 -5.854 1.640 -0.933 1.00 0.17 C ATOM 887 CZ PHE A 105 -4.762 0.998 -0.385 1.00 0.16 C ATOM 888 HA PHE A 105 -7.369 1.268 3.767 1.00 0.00 H ATOM 889 HB2 PHE A 105 -8.843 0.380 1.931 1.00 0.00 H ATOM 890 HB3 PHE A 105 -9.036 2.055 1.361 1.00 0.00 H ATOM 891 HD2 PHE A 105 -7.881 2.263 -0.637 1.00 0.00 H ATOM 892 HE2 PHE A 105 -5.796 2.054 -1.940 1.00 0.00 H ATOM 893 HZ PHE A 105 -3.840 0.905 -0.959 1.00 0.00 H ATOM 894 HE1 PHE A 105 -3.976 -0.034 1.324 1.00 0.00 H ATOM 895 HD1 PHE A 105 -6.063 0.171 2.616 1.00 0.00 H ATOM 896 H PHE A 105 -10.252 1.466 3.585 1.00 0.00 H ATOM 897 N CYS A 106 -8.627 4.249 3.432 1.00 0.27 N ATOM 898 CA CYS A 106 -8.308 5.668 3.511 1.00 0.27 C ATOM 899 C CYS A 106 -7.482 5.948 4.763 1.00 0.27 C ATOM 900 O CYS A 106 -6.529 6.729 4.730 1.00 0.28 O ATOM 901 CB CYS A 106 -9.591 6.506 3.516 1.00 0.29 C ATOM 902 SG CYS A 106 -9.314 8.293 3.524 1.00 0.59 S ATOM 903 HA CYS A 106 -7.722 5.946 2.635 1.00 0.00 H ATOM 904 HB2 CYS A 106 -10.166 6.246 4.405 1.00 0.00 H ATOM 905 HB3 CYS A 106 -10.167 6.254 2.626 1.00 0.00 H ATOM 906 HG CYS A 106 -10.530 8.945 3.528 1.00 0.00 H ATOM 907 H CYS A 106 -9.621 3.949 3.485 1.00 0.00 H ATOM 908 N ASN A 107 -7.848 5.293 5.863 1.00 0.28 N ATOM 909 CA ASN A 107 -7.071 5.370 7.101 1.00 0.30 C ATOM 910 C ASN A 107 -5.670 4.860 6.861 1.00 0.24 C ATOM 911 O ASN A 107 -4.697 5.545 7.147 1.00 0.23 O ATOM 912 CB ASN A 107 -7.704 4.534 8.209 1.00 0.37 C ATOM 913 CG ASN A 107 -8.952 5.165 8.801 1.00 0.46 C ATOM 914 OD1 ASN A 107 -8.878 5.931 9.762 1.00 0.78 O ATOM 915 ND2 ASN A 107 -10.107 4.843 8.240 1.00 0.64 N ATOM 916 HA ASN A 107 -7.051 6.415 7.411 1.00 0.00 H ATOM 917 HB2 ASN A 107 -7.970 3.560 7.798 1.00 0.00 H ATOM 918 HB3 ASN A 107 -6.971 4.403 9.005 1.00 0.00 H ATOM 919 HD22 ASN A 107 -10.128 4.192 7.429 1.00 0.00 H ATOM 920 HD21 ASN A 107 -10.994 5.241 8.610 1.00 0.00 H ATOM 921 H ASN A 107 -8.710 4.711 5.842 1.00 0.00 H ATOM 922 N ILE A 108 -5.591 3.660 6.309 1.00 0.21 N ATOM 923 CA ILE A 108 -4.318 3.024 6.009 1.00 0.17 C ATOM 924 C ILE A 108 -3.423 3.956 5.205 1.00 0.12 C ATOM 925 O ILE A 108 -2.294 4.237 5.596 1.00 0.12 O ATOM 926 CB ILE A 108 -4.547 1.715 5.223 1.00 0.17 C ATOM 927 CG1 ILE A 108 -4.727 0.534 6.173 1.00 0.23 C ATOM 928 CG2 ILE A 108 -3.432 1.440 4.227 1.00 0.14 C ATOM 929 CD1 ILE A 108 -6.081 0.509 6.830 1.00 0.39 C ATOM 930 HA ILE A 108 -3.823 2.795 6.953 1.00 0.00 H ATOM 931 HB ILE A 108 -5.465 1.843 4.650 1.00 0.00 H ATOM 932 HG12 ILE A 108 -4.597 -0.389 5.608 1.00 0.00 H ATOM 933 HG13 ILE A 108 -3.965 0.593 6.950 1.00 0.00 H ATOM 934 HD11 ILE A 108 -6.220 1.423 7.407 1.00 0.00 H ATOM 935 HD12 ILE A 108 -6.854 0.440 6.064 1.00 0.00 H ATOM 936 HD13 ILE A 108 -6.146 -0.354 7.493 1.00 0.00 H ATOM 937 HG21 ILE A 108 -3.376 2.260 3.511 1.00 0.00 H ATOM 938 HG22 ILE A 108 -2.484 1.355 4.759 1.00 0.00 H ATOM 939 HG23 ILE A 108 -3.639 0.509 3.700 1.00 0.00 H ATOM 940 H ILE A 108 -6.471 3.154 6.082 1.00 0.00 H ATOM 941 N LEU A 109 -3.952 4.451 4.101 1.00 0.12 N ATOM 942 CA LEU A 109 -3.204 5.314 3.206 1.00 0.12 C ATOM 943 C LEU A 109 -2.776 6.608 3.866 1.00 0.13 C ATOM 944 O LEU A 109 -1.595 6.937 3.874 1.00 0.13 O ATOM 945 CB LEU A 109 -4.041 5.608 1.982 1.00 0.15 C ATOM 946 CG LEU A 109 -3.922 4.558 0.900 1.00 0.16 C ATOM 947 CD1 LEU A 109 -5.028 4.716 -0.111 1.00 0.18 C ATOM 948 CD2 LEU A 109 -2.574 4.676 0.233 1.00 0.17 C ATOM 949 HA LEU A 109 -2.292 4.787 2.924 1.00 0.00 H ATOM 950 HB2 LEU A 109 -5.086 5.673 2.286 1.00 0.00 H ATOM 951 HB3 LEU A 109 -3.724 6.566 1.569 1.00 0.00 H ATOM 952 HG LEU A 109 -4.013 3.569 1.348 1.00 0.00 H ATOM 953 HD21 LEU A 109 -2.474 5.667 -0.209 1.00 0.00 H ATOM 954 HD22 LEU A 109 -1.789 4.526 0.974 1.00 0.00 H ATOM 955 HD23 LEU A 109 -2.488 3.919 -0.547 1.00 0.00 H ATOM 956 HD11 LEU A 109 -5.992 4.606 0.386 1.00 0.00 H ATOM 957 HD12 LEU A 109 -4.964 5.704 -0.566 1.00 0.00 H ATOM 958 HD13 LEU A 109 -4.926 3.952 -0.882 1.00 0.00 H ATOM 959 H LEU A 109 -4.937 4.215 3.865 1.00 0.00 H ATOM 960 N SER A 110 -3.730 7.328 4.430 1.00 0.16 N ATOM 961 CA SER A 110 -3.440 8.599 5.074 1.00 0.20 C ATOM 962 C SER A 110 -2.418 8.409 6.185 1.00 0.19 C ATOM 963 O SER A 110 -1.568 9.267 6.419 1.00 0.22 O ATOM 964 CB SER A 110 -4.722 9.209 5.631 1.00 0.28 C ATOM 965 OG SER A 110 -5.345 8.339 6.557 1.00 1.18 O ATOM 966 HA SER A 110 -3.021 9.280 4.333 1.00 0.00 H ATOM 967 HB2 SER A 110 -5.410 9.404 4.808 1.00 0.00 H ATOM 968 HB3 SER A 110 -4.481 10.147 6.131 1.00 0.00 H ATOM 969 HG SER A 110 -5.571 7.487 6.107 1.00 0.00 H ATOM 970 H SER A 110 -4.709 6.978 4.413 1.00 0.00 H ATOM 971 N ARG A 111 -2.507 7.269 6.856 1.00 0.18 N ATOM 972 CA ARG A 111 -1.579 6.933 7.915 1.00 0.19 C ATOM 973 C ARG A 111 -0.195 6.567 7.370 1.00 0.16 C ATOM 974 O ARG A 111 0.770 7.280 7.626 1.00 0.17 O ATOM 975 CB ARG A 111 -2.134 5.773 8.746 1.00 0.25 C ATOM 976 CG ARG A 111 -3.234 6.169 9.717 1.00 0.33 C ATOM 977 CD ARG A 111 -3.657 4.982 10.562 1.00 1.22 C ATOM 978 NE ARG A 111 -4.614 5.354 11.598 1.00 1.97 N ATOM 979 CZ ARG A 111 -4.879 4.608 12.666 1.00 2.79 C ATOM 980 NH1 ARG A 111 -4.274 3.438 12.840 1.00 3.10 N ATOM 981 NH2 ARG A 111 -5.754 5.039 13.566 1.00 3.73 N ATOM 982 HA ARG A 111 -1.463 7.816 8.544 1.00 0.00 H ATOM 983 HB2 ARG A 111 -2.535 5.024 8.063 1.00 0.00 H ATOM 984 HB3 ARG A 111 -1.314 5.339 9.318 1.00 0.00 H ATOM 985 HG2 ARG A 111 -2.867 6.961 10.370 1.00 0.00 H ATOM 986 HG3 ARG A 111 -4.094 6.533 9.155 1.00 0.00 H ATOM 987 HD2 ARG A 111 -2.773 4.557 11.037 1.00 0.00 H ATOM 988 HD3 ARG A 111 -4.114 4.235 9.914 1.00 0.00 H ATOM 989 HE ARG A 111 -5.119 6.257 11.495 1.00 0.00 H ATOM 990 HH12 ARG A 111 -4.488 2.862 13.679 1.00 0.00 H ATOM 991 HH11 ARG A 111 -3.586 3.099 12.137 1.00 0.00 H ATOM 992 HH22 ARG A 111 -5.966 4.460 14.404 1.00 0.00 H ATOM 993 HH21 ARG A 111 -6.228 5.955 13.433 1.00 0.00 H ATOM 994 H ARG A 111 -3.264 6.598 6.615 1.00 0.00 H ATOM 995 N VAL A 112 -0.105 5.503 6.568 1.00 0.15 N ATOM 996 CA VAL A 112 1.203 4.973 6.163 1.00 0.14 C ATOM 997 C VAL A 112 1.945 5.933 5.248 1.00 0.14 C ATOM 998 O VAL A 112 3.154 6.122 5.390 1.00 0.15 O ATOM 999 CB VAL A 112 1.129 3.581 5.486 1.00 0.14 C ATOM 1000 CG1 VAL A 112 0.510 2.549 6.411 1.00 0.17 C ATOM 1001 CG2 VAL A 112 0.374 3.647 4.177 1.00 0.15 C ATOM 1002 HA VAL A 112 1.754 4.857 7.096 1.00 0.00 H ATOM 1003 HB VAL A 112 2.151 3.269 5.271 1.00 0.00 H ATOM 1004 HG11 VAL A 112 1.114 2.464 7.314 1.00 0.00 H ATOM 1005 HG12 VAL A 112 -0.500 2.860 6.676 1.00 0.00 H ATOM 1006 HG13 VAL A 112 0.473 1.584 5.905 1.00 0.00 H ATOM 1007 HG21 VAL A 112 -0.641 3.998 4.362 1.00 0.00 H ATOM 1008 HG22 VAL A 112 0.881 4.336 3.501 1.00 0.00 H ATOM 1009 HG23 VAL A 112 0.340 2.654 3.728 1.00 0.00 H ATOM 1010 H VAL A 112 -0.973 5.044 6.226 1.00 0.00 H ATOM 1011 N LEU A 113 1.223 6.552 4.324 1.00 0.15 N ATOM 1012 CA LEU A 113 1.819 7.493 3.408 1.00 0.16 C ATOM 1013 C LEU A 113 2.468 8.638 4.169 1.00 0.17 C ATOM 1014 O LEU A 113 3.640 8.952 3.963 1.00 0.20 O ATOM 1015 CB LEU A 113 0.744 8.012 2.454 1.00 0.16 C ATOM 1016 CG LEU A 113 0.684 9.523 2.300 1.00 0.20 C ATOM 1017 CD1 LEU A 113 1.802 9.993 1.385 1.00 0.20 C ATOM 1018 CD2 LEU A 113 -0.675 9.942 1.773 1.00 0.27 C ATOM 1019 HA LEU A 113 2.598 6.996 2.830 1.00 0.00 H ATOM 1020 HB2 LEU A 113 0.930 7.580 1.470 1.00 0.00 H ATOM 1021 HB3 LEU A 113 -0.224 7.672 2.821 1.00 0.00 H ATOM 1022 HG LEU A 113 0.823 9.992 3.274 1.00 0.00 H ATOM 1023 HD21 LEU A 113 -0.846 9.477 0.802 1.00 0.00 H ATOM 1024 HD22 LEU A 113 -1.448 9.623 2.472 1.00 0.00 H ATOM 1025 HD23 LEU A 113 -0.704 11.027 1.668 1.00 0.00 H ATOM 1026 HD11 LEU A 113 2.764 9.712 1.815 1.00 0.00 H ATOM 1027 HD12 LEU A 113 1.689 9.526 0.407 1.00 0.00 H ATOM 1028 HD13 LEU A 113 1.752 11.077 1.280 1.00 0.00 H ATOM 1029 H LEU A 113 0.204 6.354 4.258 1.00 0.00 H ATOM 1030 N SER A 114 1.707 9.236 5.062 1.00 0.17 N ATOM 1031 CA SER A 114 2.160 10.404 5.777 1.00 0.21 C ATOM 1032 C SER A 114 3.241 10.029 6.790 1.00 0.18 C ATOM 1033 O SER A 114 4.146 10.819 7.063 1.00 0.20 O ATOM 1034 CB SER A 114 0.968 11.084 6.436 1.00 0.26 C ATOM 1035 OG SER A 114 0.012 11.477 5.463 1.00 1.06 O ATOM 1036 HA SER A 114 2.612 11.110 5.081 1.00 0.00 H ATOM 1037 HB2 SER A 114 1.313 11.966 6.976 1.00 0.00 H ATOM 1038 HB3 SER A 114 0.502 10.390 7.136 1.00 0.00 H ATOM 1039 HG SER A 114 -0.306 10.678 4.973 1.00 0.00 H ATOM 1040 H SER A 114 0.758 8.858 5.256 1.00 0.00 H ATOM 1041 N ARG A 115 3.153 8.815 7.330 1.00 0.15 N ATOM 1042 CA ARG A 115 4.221 8.272 8.153 1.00 0.16 C ATOM 1043 C ARG A 115 5.527 8.222 7.367 1.00 0.15 C ATOM 1044 O ARG A 115 6.569 8.629 7.863 1.00 0.18 O ATOM 1045 CB ARG A 115 3.866 6.871 8.640 1.00 0.20 C ATOM 1046 CG ARG A 115 2.745 6.844 9.657 1.00 0.31 C ATOM 1047 CD ARG A 115 3.159 7.487 10.962 1.00 0.53 C ATOM 1048 NE ARG A 115 2.141 7.321 11.999 1.00 0.89 N ATOM 1049 CZ ARG A 115 2.390 7.351 13.307 1.00 1.21 C ATOM 1050 NH1 ARG A 115 3.616 7.599 13.751 1.00 1.63 N ATOM 1051 NH2 ARG A 115 1.400 7.161 14.169 1.00 1.62 N ATOM 1052 HA ARG A 115 4.347 8.926 9.016 1.00 0.00 H ATOM 1053 HB2 ARG A 115 3.564 6.274 7.780 1.00 0.00 H ATOM 1054 HB3 ARG A 115 4.753 6.429 9.094 1.00 0.00 H ATOM 1055 HG2 ARG A 115 1.888 7.383 9.253 1.00 0.00 H ATOM 1056 HG3 ARG A 115 2.464 5.808 9.847 1.00 0.00 H ATOM 1057 HD2 ARG A 115 3.322 8.552 10.795 1.00 0.00 H ATOM 1058 HD3 ARG A 115 4.087 7.028 11.302 1.00 0.00 H ATOM 1059 HE ARG A 115 1.158 7.170 11.695 1.00 0.00 H ATOM 1060 HH12 ARG A 115 3.804 7.621 14.774 1.00 0.00 H ATOM 1061 HH11 ARG A 115 4.388 7.771 13.076 1.00 0.00 H ATOM 1062 HH22 ARG A 115 1.589 7.183 15.191 1.00 0.00 H ATOM 1063 HH21 ARG A 115 0.435 6.990 13.823 1.00 0.00 H ATOM 1064 H ARG A 115 2.302 8.243 7.159 1.00 0.00 H ATOM 1065 N ALA A 116 5.455 7.735 6.130 1.00 0.15 N ATOM 1066 CA ALA A 116 6.636 7.605 5.276 1.00 0.18 C ATOM 1067 C ALA A 116 7.161 8.965 4.826 1.00 0.21 C ATOM 1068 O ALA A 116 8.333 9.104 4.473 1.00 0.25 O ATOM 1069 CB ALA A 116 6.316 6.739 4.074 1.00 0.20 C ATOM 1070 HA ALA A 116 7.421 7.129 5.863 1.00 0.00 H ATOM 1071 HB1 ALA A 116 6.007 5.750 4.412 1.00 0.00 H ATOM 1072 HB2 ALA A 116 5.509 7.197 3.502 1.00 0.00 H ATOM 1073 HB3 ALA A 116 7.202 6.650 3.446 1.00 0.00 H ATOM 1074 H ALA A 116 4.530 7.438 5.759 1.00 0.00 H ATOM 1075 N ARG A 117 6.285 9.957 4.828 1.00 0.23 N ATOM 1076 CA ARG A 117 6.672 11.325 4.516 1.00 0.28 C ATOM 1077 C ARG A 117 7.504 11.906 5.652 1.00 0.29 C ATOM 1078 O ARG A 117 8.569 12.478 5.430 1.00 0.39 O ATOM 1079 CB ARG A 117 5.432 12.182 4.284 1.00 0.38 C ATOM 1080 CG ARG A 117 4.620 11.747 3.081 1.00 1.06 C ATOM 1081 CD ARG A 117 4.552 12.843 2.041 1.00 1.15 C ATOM 1082 NE ARG A 117 3.844 14.017 2.540 1.00 1.75 N ATOM 1083 CZ ARG A 117 2.919 14.681 1.852 1.00 2.25 C ATOM 1084 NH1 ARG A 117 2.583 14.282 0.632 1.00 2.33 N ATOM 1085 NH2 ARG A 117 2.329 15.736 2.394 1.00 2.99 N ATOM 1086 HA ARG A 117 7.272 11.321 3.606 1.00 0.00 H ATOM 1087 HB2 ARG A 117 4.799 12.122 5.169 1.00 0.00 H ATOM 1088 HB3 ARG A 117 5.748 13.214 4.134 1.00 0.00 H ATOM 1089 HG2 ARG A 117 5.084 10.865 2.639 1.00 0.00 H ATOM 1090 HG3 ARG A 117 3.609 11.500 3.405 1.00 0.00 H ATOM 1091 HD2 ARG A 117 4.032 12.464 1.161 1.00 0.00 H ATOM 1092 HD3 ARG A 117 5.566 13.132 1.765 1.00 0.00 H ATOM 1093 HE ARG A 117 4.077 14.357 3.495 1.00 0.00 H ATOM 1094 HH12 ARG A 117 1.860 14.802 0.096 1.00 0.00 H ATOM 1095 HH11 ARG A 117 3.043 13.449 0.212 1.00 0.00 H ATOM 1096 HH22 ARG A 117 1.605 16.258 1.860 1.00 0.00 H ATOM 1097 HH21 ARG A 117 2.590 16.042 3.353 1.00 0.00 H ATOM 1098 H ARG A 117 5.292 9.753 5.059 1.00 0.00 H ATOM 1099 N SER A 118 7.004 11.746 6.869 1.00 0.28 N ATOM 1100 CA SER A 118 7.685 12.199 8.054 1.00 0.33 C ATOM 1101 C SER A 118 8.910 11.349 8.354 1.00 0.32 C ATOM 1102 O SER A 118 9.961 11.854 8.750 1.00 0.41 O ATOM 1103 CB SER A 118 6.709 12.122 9.212 1.00 0.38 C ATOM 1104 OG SER A 118 5.723 13.137 9.128 1.00 0.62 O ATOM 1105 HA SER A 118 8.029 13.222 7.901 1.00 0.00 H ATOM 1106 HB2 SER A 118 7.258 12.237 10.147 1.00 0.00 H ATOM 1107 HB3 SER A 118 6.218 11.149 9.198 1.00 0.00 H ATOM 1108 HG SER A 118 5.104 13.058 9.897 1.00 0.00 H ATOM 1109 H SER A 118 6.083 11.274 6.972 1.00 0.00 H ATOM 1110 N ARG A 119 8.749 10.057 8.156 1.00 0.26 N ATOM 1111 CA ARG A 119 9.777 9.073 8.453 1.00 0.28 C ATOM 1112 C ARG A 119 10.194 8.320 7.193 1.00 0.26 C ATOM 1113 O ARG A 119 9.831 7.156 7.006 1.00 0.25 O ATOM 1114 CB ARG A 119 9.245 8.082 9.490 1.00 0.33 C ATOM 1115 CG ARG A 119 8.822 8.734 10.791 1.00 0.47 C ATOM 1116 CD ARG A 119 10.020 9.048 11.670 1.00 1.28 C ATOM 1117 NE ARG A 119 9.648 9.798 12.871 1.00 1.54 N ATOM 1118 CZ ARG A 119 8.917 9.308 13.878 1.00 2.39 C ATOM 1119 NH1 ARG A 119 8.431 8.074 13.826 1.00 3.26 N ATOM 1120 NH2 ARG A 119 8.665 10.060 14.940 1.00 2.60 N ATOM 1121 HA ARG A 119 10.651 9.592 8.847 1.00 0.00 H ATOM 1122 HB2 ARG A 119 8.383 7.568 9.065 1.00 0.00 H ATOM 1123 HB3 ARG A 119 10.028 7.356 9.707 1.00 0.00 H ATOM 1124 HG2 ARG A 119 8.293 9.661 10.568 1.00 0.00 H ATOM 1125 HG3 ARG A 119 8.156 8.057 11.327 1.00 0.00 H ATOM 1126 HD2 ARG A 119 10.732 9.639 11.094 1.00 0.00 H ATOM 1127 HD3 ARG A 119 10.488 8.111 11.973 1.00 0.00 H ATOM 1128 HE ARG A 119 9.976 10.782 12.946 1.00 0.00 H ATOM 1129 HH12 ARG A 119 7.864 7.705 14.616 1.00 0.00 H ATOM 1130 HH11 ARG A 119 8.617 7.476 12.996 1.00 0.00 H ATOM 1131 HH22 ARG A 119 8.097 9.680 15.723 1.00 0.00 H ATOM 1132 HH21 ARG A 119 9.036 11.030 14.990 1.00 0.00 H ATOM 1133 H ARG A 119 7.843 9.725 7.769 1.00 0.00 H ATOM 1134 N PRO A 120 10.981 8.969 6.322 1.00 0.29 N ATOM 1135 CA PRO A 120 11.489 8.356 5.087 1.00 0.30 C ATOM 1136 C PRO A 120 12.328 7.120 5.377 1.00 0.27 C ATOM 1137 O PRO A 120 12.418 6.195 4.569 1.00 0.28 O ATOM 1138 CB PRO A 120 12.367 9.460 4.482 1.00 0.37 C ATOM 1139 CG PRO A 120 12.675 10.368 5.615 1.00 0.38 C ATOM 1140 CD PRO A 120 11.453 10.351 6.470 1.00 0.35 C ATOM 1141 HA PRO A 120 10.686 8.021 4.430 1.00 0.00 H ATOM 1142 HD3 PRO A 120 11.695 10.576 7.509 1.00 0.00 H ATOM 1143 HD2 PRO A 120 10.710 11.062 6.110 1.00 0.00 H ATOM 1144 HG3 PRO A 120 12.876 11.377 5.254 1.00 0.00 H ATOM 1145 HG2 PRO A 120 13.538 10.005 6.173 1.00 0.00 H ATOM 1146 HB2 PRO A 120 13.283 9.038 4.068 1.00 0.00 H ATOM 1147 HB3 PRO A 120 11.828 9.993 3.699 1.00 0.00 H ATOM 1148 N ALA A 121 12.929 7.118 6.556 1.00 0.25 N ATOM 1149 CA ALA A 121 13.796 6.037 6.993 1.00 0.28 C ATOM 1150 C ALA A 121 13.056 4.702 7.071 1.00 0.27 C ATOM 1151 O ALA A 121 13.664 3.638 6.953 1.00 0.35 O ATOM 1152 CB ALA A 121 14.401 6.388 8.341 1.00 0.33 C ATOM 1153 HA ALA A 121 14.588 5.919 6.253 1.00 0.00 H ATOM 1154 HB1 ALA A 121 14.981 7.306 8.249 1.00 0.00 H ATOM 1155 HB2 ALA A 121 13.603 6.532 9.069 1.00 0.00 H ATOM 1156 HB3 ALA A 121 15.051 5.577 8.668 1.00 0.00 H ATOM 1157 H ALA A 121 12.774 7.923 7.196 1.00 0.00 H ATOM 1158 N LYS A 122 11.746 4.753 7.270 1.00 0.22 N ATOM 1159 CA LYS A 122 10.952 3.543 7.383 1.00 0.27 C ATOM 1160 C LYS A 122 9.879 3.489 6.308 1.00 0.19 C ATOM 1161 O LYS A 122 8.883 2.781 6.458 1.00 0.18 O ATOM 1162 CB LYS A 122 10.324 3.448 8.772 1.00 0.39 C ATOM 1163 CG LYS A 122 11.322 3.086 9.860 1.00 0.49 C ATOM 1164 CD LYS A 122 11.111 1.664 10.363 1.00 0.66 C ATOM 1165 CE LYS A 122 9.776 1.516 11.085 1.00 1.28 C ATOM 1166 NZ LYS A 122 9.624 0.177 11.723 1.00 1.79 N ATOM 1167 HA LYS A 122 11.614 2.689 7.239 1.00 0.00 H ATOM 1168 HB2 LYS A 122 9.879 4.412 9.017 1.00 0.00 H ATOM 1169 HB3 LYS A 122 9.546 2.685 8.749 1.00 0.00 H ATOM 1170 HG2 LYS A 122 12.331 3.173 9.458 1.00 0.00 H ATOM 1171 HG3 LYS A 122 11.203 3.778 10.694 1.00 0.00 H ATOM 1172 HD2 LYS A 122 11.132 0.981 9.514 1.00 0.00 H ATOM 1173 HD3 LYS A 122 11.916 1.409 11.052 1.00 0.00 H ATOM 1174 HE2 LYS A 122 8.970 1.655 10.364 1.00 0.00 H ATOM 1175 HE3 LYS A 122 9.708 2.282 11.857 1.00 0.00 H ATOM 1176 HZ1 LYS A 122 9.680 -0.562 10.993 1.00 0.00 H ATOM 1177 HZ2 LYS A 122 10.385 0.037 12.418 1.00 0.00 H ATOM 1178 HZ3 LYS A 122 8.702 0.125 12.201 1.00 0.00 H ATOM 1179 H LYS A 122 11.278 5.679 7.347 1.00 0.00 H ATOM 1180 N LEU A 123 10.101 4.224 5.219 1.00 0.17 N ATOM 1181 CA LEU A 123 9.197 4.229 4.081 1.00 0.14 C ATOM 1182 C LEU A 123 8.832 2.812 3.650 1.00 0.12 C ATOM 1183 O LEU A 123 7.677 2.524 3.346 1.00 0.12 O ATOM 1184 CB LEU A 123 9.864 4.964 2.924 1.00 0.16 C ATOM 1185 CG LEU A 123 9.219 4.760 1.563 1.00 0.14 C ATOM 1186 CD1 LEU A 123 7.934 5.553 1.457 1.00 0.15 C ATOM 1187 CD2 LEU A 123 10.190 5.150 0.473 1.00 0.21 C ATOM 1188 HA LEU A 123 8.276 4.735 4.371 1.00 0.00 H ATOM 1189 HB2 LEU A 123 9.847 6.031 3.148 1.00 0.00 H ATOM 1190 HB3 LEU A 123 10.898 4.624 2.861 1.00 0.00 H ATOM 1191 HG LEU A 123 8.968 3.706 1.443 1.00 0.00 H ATOM 1192 HD21 LEU A 123 10.463 6.199 0.590 1.00 0.00 H ATOM 1193 HD22 LEU A 123 11.084 4.530 0.546 1.00 0.00 H ATOM 1194 HD23 LEU A 123 9.721 5.001 -0.500 1.00 0.00 H ATOM 1195 HD11 LEU A 123 7.240 5.223 2.230 1.00 0.00 H ATOM 1196 HD12 LEU A 123 8.151 6.613 1.590 1.00 0.00 H ATOM 1197 HD13 LEU A 123 7.489 5.392 0.475 1.00 0.00 H ATOM 1198 H LEU A 123 10.954 4.817 5.182 1.00 0.00 H ATOM 1199 N TYR A 124 9.820 1.924 3.658 1.00 0.13 N ATOM 1200 CA TYR A 124 9.621 0.558 3.195 1.00 0.13 C ATOM 1201 C TYR A 124 8.625 -0.174 4.063 1.00 0.13 C ATOM 1202 O TYR A 124 7.769 -0.859 3.547 1.00 0.14 O ATOM 1203 CB TYR A 124 10.934 -0.204 3.150 1.00 0.14 C ATOM 1204 CG TYR A 124 11.829 0.212 2.020 1.00 0.14 C ATOM 1205 CD1 TYR A 124 12.718 1.266 2.156 1.00 0.22 C ATOM 1206 CD2 TYR A 124 11.782 -0.457 0.813 1.00 0.14 C ATOM 1207 CE1 TYR A 124 13.539 1.638 1.113 1.00 0.26 C ATOM 1208 CE2 TYR A 124 12.593 -0.097 -0.227 1.00 0.19 C ATOM 1209 CZ TYR A 124 13.474 0.951 -0.079 1.00 0.24 C ATOM 1210 OH TYR A 124 14.292 1.315 -1.124 1.00 0.31 O ATOM 1211 HA TYR A 124 9.220 0.614 2.183 1.00 0.00 H ATOM 1212 HB3 TYR A 124 10.713 -1.266 3.043 1.00 0.00 H ATOM 1213 HB2 TYR A 124 11.463 -0.037 4.089 1.00 0.00 H ATOM 1214 HD2 TYR A 124 11.086 -1.287 0.687 1.00 0.00 H ATOM 1215 HE2 TYR A 124 12.542 -0.638 -1.172 1.00 0.00 H ATOM 1216 HE1 TYR A 124 14.234 2.469 1.231 1.00 0.00 H ATOM 1217 HD1 TYR A 124 12.769 1.808 3.100 1.00 0.00 H ATOM 1218 HH TYR A 124 14.857 2.080 -0.848 1.00 0.00 H ATOM 1219 H TYR A 124 10.758 2.211 4.003 1.00 0.00 H ATOM 1220 N VAL A 125 8.732 -0.024 5.373 1.00 0.13 N ATOM 1221 CA VAL A 125 7.761 -0.631 6.280 1.00 0.14 C ATOM 1222 C VAL A 125 6.336 -0.258 5.894 1.00 0.12 C ATOM 1223 O VAL A 125 5.443 -1.102 5.892 1.00 0.14 O ATOM 1224 CB VAL A 125 8.024 -0.217 7.735 1.00 0.18 C ATOM 1225 CG1 VAL A 125 6.913 -0.709 8.660 1.00 0.19 C ATOM 1226 CG2 VAL A 125 9.378 -0.747 8.161 1.00 0.23 C ATOM 1227 HA VAL A 125 7.877 -1.711 6.195 1.00 0.00 H ATOM 1228 HB VAL A 125 8.030 0.871 7.805 1.00 0.00 H ATOM 1229 HG11 VAL A 125 5.962 -0.281 8.343 1.00 0.00 H ATOM 1230 HG12 VAL A 125 6.857 -1.797 8.612 1.00 0.00 H ATOM 1231 HG13 VAL A 125 7.129 -0.399 9.682 1.00 0.00 H ATOM 1232 HG21 VAL A 125 9.383 -1.834 8.081 1.00 0.00 H ATOM 1233 HG22 VAL A 125 10.150 -0.330 7.514 1.00 0.00 H ATOM 1234 HG23 VAL A 125 9.572 -0.457 9.194 1.00 0.00 H ATOM 1235 H VAL A 125 9.518 0.534 5.763 1.00 0.00 H ATOM 1236 N TYR A 126 6.139 0.998 5.538 1.00 0.11 N ATOM 1237 CA TYR A 126 4.827 1.478 5.145 1.00 0.11 C ATOM 1238 C TYR A 126 4.477 0.972 3.747 1.00 0.10 C ATOM 1239 O TYR A 126 3.315 0.715 3.444 1.00 0.11 O ATOM 1240 CB TYR A 126 4.801 3.000 5.239 1.00 0.12 C ATOM 1241 CG TYR A 126 5.294 3.483 6.585 1.00 0.12 C ATOM 1242 CD1 TYR A 126 4.779 2.943 7.755 1.00 0.17 C ATOM 1243 CD2 TYR A 126 6.292 4.444 6.691 1.00 0.17 C ATOM 1244 CE1 TYR A 126 5.237 3.348 8.991 1.00 0.20 C ATOM 1245 CE2 TYR A 126 6.759 4.853 7.926 1.00 0.20 C ATOM 1246 CZ TYR A 126 6.229 4.301 9.073 1.00 0.20 C ATOM 1247 OH TYR A 126 6.692 4.705 10.307 1.00 0.25 O ATOM 1248 HA TYR A 126 4.065 1.089 5.820 1.00 0.00 H ATOM 1249 HB3 TYR A 126 3.778 3.346 5.091 1.00 0.00 H ATOM 1250 HB2 TYR A 126 5.440 3.414 4.459 1.00 0.00 H ATOM 1251 HD2 TYR A 126 6.713 4.882 5.786 1.00 0.00 H ATOM 1252 HE2 TYR A 126 7.542 5.608 7.993 1.00 0.00 H ATOM 1253 HE1 TYR A 126 4.816 2.916 9.899 1.00 0.00 H ATOM 1254 HD1 TYR A 126 3.998 2.185 7.696 1.00 0.00 H ATOM 1255 HH TYR A 126 6.208 4.213 11.017 1.00 0.00 H ATOM 1256 H TYR A 126 6.942 1.658 5.539 1.00 0.00 H ATOM 1257 N ILE A 127 5.502 0.821 2.909 1.00 0.11 N ATOM 1258 CA ILE A 127 5.377 0.123 1.626 1.00 0.11 C ATOM 1259 C ILE A 127 4.900 -1.310 1.866 1.00 0.11 C ATOM 1260 O ILE A 127 3.940 -1.778 1.255 1.00 0.11 O ATOM 1261 CB ILE A 127 6.740 0.095 0.881 1.00 0.11 C ATOM 1262 CG1 ILE A 127 7.103 1.499 0.398 1.00 0.12 C ATOM 1263 CG2 ILE A 127 6.712 -0.880 -0.283 1.00 0.13 C ATOM 1264 CD1 ILE A 127 8.580 1.706 0.148 1.00 0.11 C ATOM 1265 HA ILE A 127 4.652 0.656 1.011 1.00 0.00 H ATOM 1266 HB ILE A 127 7.503 -0.247 1.580 1.00 0.00 H ATOM 1267 HG12 ILE A 127 6.568 1.689 -0.533 1.00 0.00 H ATOM 1268 HG13 ILE A 127 6.780 2.215 1.154 1.00 0.00 H ATOM 1269 HD11 ILE A 127 9.131 1.532 1.072 1.00 0.00 H ATOM 1270 HD12 ILE A 127 8.919 1.007 -0.616 1.00 0.00 H ATOM 1271 HD13 ILE A 127 8.750 2.728 -0.192 1.00 0.00 H ATOM 1272 HG21 ILE A 127 6.499 -1.882 0.089 1.00 0.00 H ATOM 1273 HG22 ILE A 127 5.937 -0.580 -0.988 1.00 0.00 H ATOM 1274 HG23 ILE A 127 7.681 -0.875 -0.783 1.00 0.00 H ATOM 1275 H ILE A 127 6.427 1.214 3.176 1.00 0.00 H ATOM 1276 N ASN A 128 5.588 -1.978 2.784 1.00 0.12 N ATOM 1277 CA ASN A 128 5.289 -3.339 3.183 1.00 0.14 C ATOM 1278 C ASN A 128 3.861 -3.442 3.682 1.00 0.14 C ATOM 1279 O ASN A 128 3.101 -4.317 3.256 1.00 0.16 O ATOM 1280 CB ASN A 128 6.238 -3.762 4.310 1.00 0.20 C ATOM 1281 CG ASN A 128 7.672 -4.001 3.869 1.00 0.25 C ATOM 1282 OD1 ASN A 128 8.392 -4.762 4.494 1.00 0.50 O ATOM 1283 ND2 ASN A 128 8.105 -3.348 2.807 1.00 0.26 N ATOM 1284 HA ASN A 128 5.417 -3.991 2.319 1.00 0.00 H ATOM 1285 HB2 ASN A 128 6.240 -2.977 5.066 1.00 0.00 H ATOM 1286 HB3 ASN A 128 5.858 -4.685 4.747 1.00 0.00 H ATOM 1287 HD22 ASN A 128 7.467 -2.706 2.295 1.00 0.00 H ATOM 1288 HD21 ASN A 128 9.085 -3.475 2.482 1.00 0.00 H ATOM 1289 H ASN A 128 6.388 -1.497 3.243 1.00 0.00 H ATOM 1290 N GLU A 129 3.513 -2.539 4.598 1.00 0.13 N ATOM 1291 CA GLU A 129 2.175 -2.493 5.159 1.00 0.16 C ATOM 1292 C GLU A 129 1.153 -2.321 4.071 1.00 0.15 C ATOM 1293 O GLU A 129 0.347 -3.200 3.841 1.00 0.17 O ATOM 1294 CB GLU A 129 2.029 -1.344 6.152 1.00 0.23 C ATOM 1295 CG GLU A 129 2.751 -1.587 7.454 1.00 0.29 C ATOM 1296 CD GLU A 129 2.323 -0.633 8.547 1.00 0.60 C ATOM 1297 OE1 GLU A 129 2.679 0.556 8.485 1.00 1.03 O ATOM 1298 OE2 GLU A 129 1.615 -1.079 9.476 1.00 0.90 O ATOM 1299 HA GLU A 129 2.010 -3.437 5.678 1.00 0.00 H ATOM 1300 HB2 GLU A 129 2.431 -0.439 5.696 1.00 0.00 H ATOM 1301 HB3 GLU A 129 0.969 -1.202 6.365 1.00 0.00 H ATOM 1302 HG2 GLU A 129 2.547 -2.606 7.781 1.00 0.00 H ATOM 1303 HG3 GLU A 129 3.821 -1.468 7.287 1.00 0.00 H ATOM 1304 H GLU A 129 4.220 -1.848 4.920 1.00 0.00 H ATOM 1305 N LEU A 130 1.245 -1.205 3.376 1.00 0.14 N ATOM 1306 CA LEU A 130 0.301 -0.845 2.329 1.00 0.15 C ATOM 1307 C LEU A 130 0.093 -1.988 1.329 1.00 0.15 C ATOM 1308 O LEU A 130 -1.033 -2.249 0.911 1.00 0.18 O ATOM 1309 CB LEU A 130 0.819 0.408 1.631 1.00 0.17 C ATOM 1310 CG LEU A 130 -0.174 1.153 0.750 1.00 0.13 C ATOM 1311 CD1 LEU A 130 -1.504 1.331 1.469 1.00 0.12 C ATOM 1312 CD2 LEU A 130 0.412 2.505 0.376 1.00 0.12 C ATOM 1313 HA LEU A 130 -0.674 -0.649 2.775 1.00 0.00 H ATOM 1314 HB2 LEU A 130 1.162 1.099 2.401 1.00 0.00 H ATOM 1315 HB3 LEU A 130 1.662 0.115 1.006 1.00 0.00 H ATOM 1316 HG LEU A 130 -0.358 0.573 -0.154 1.00 0.00 H ATOM 1317 HD21 LEU A 130 0.603 3.080 1.282 1.00 0.00 H ATOM 1318 HD22 LEU A 130 1.346 2.357 -0.166 1.00 0.00 H ATOM 1319 HD23 LEU A 130 -0.295 3.044 -0.255 1.00 0.00 H ATOM 1320 HD11 LEU A 130 -1.916 0.352 1.716 1.00 0.00 H ATOM 1321 HD12 LEU A 130 -1.347 1.902 2.384 1.00 0.00 H ATOM 1322 HD13 LEU A 130 -2.198 1.866 0.820 1.00 0.00 H ATOM 1323 H LEU A 130 2.027 -0.553 3.585 1.00 0.00 H ATOM 1324 N CYS A 131 1.168 -2.684 0.974 1.00 0.14 N ATOM 1325 CA CYS A 131 1.073 -3.823 0.060 1.00 0.17 C ATOM 1326 C CYS A 131 0.336 -4.991 0.718 1.00 0.18 C ATOM 1327 O CYS A 131 -0.579 -5.573 0.127 1.00 0.21 O ATOM 1328 CB CYS A 131 2.470 -4.274 -0.380 1.00 0.20 C ATOM 1329 SG CYS A 131 2.475 -5.728 -1.458 1.00 0.53 S ATOM 1330 HA CYS A 131 0.508 -3.504 -0.816 1.00 0.00 H ATOM 1331 HB2 CYS A 131 3.051 -4.508 0.512 1.00 0.00 H ATOM 1332 HB3 CYS A 131 2.943 -3.450 -0.915 1.00 0.00 H ATOM 1333 HG CYS A 131 3.776 -6.046 -1.792 1.00 0.00 H ATOM 1334 H CYS A 131 2.097 -2.413 1.354 1.00 0.00 H ATOM 1335 N THR A 132 0.722 -5.325 1.947 1.00 0.19 N ATOM 1336 CA THR A 132 0.081 -6.411 2.677 1.00 0.23 C ATOM 1337 C THR A 132 -1.366 -6.048 2.967 1.00 0.21 C ATOM 1338 O THR A 132 -2.264 -6.871 2.853 1.00 0.22 O ATOM 1339 CB THR A 132 0.799 -6.708 4.007 1.00 0.28 C ATOM 1340 OG1 THR A 132 2.189 -6.969 3.768 1.00 0.32 O ATOM 1341 CG2 THR A 132 0.164 -7.905 4.705 1.00 0.36 C ATOM 1342 HA THR A 132 0.133 -7.303 2.053 1.00 0.00 H ATOM 1343 HB THR A 132 0.702 -5.835 4.652 1.00 0.00 H ATOM 1344 HG1 THR A 132 2.604 -6.177 3.343 1.00 0.00 H ATOM 1345 HG23 THR A 132 -0.892 -7.701 4.884 1.00 0.00 H ATOM 1346 HG21 THR A 132 0.263 -8.787 4.073 1.00 0.00 H ATOM 1347 HG22 THR A 132 0.668 -8.079 5.656 1.00 0.00 H ATOM 1348 H THR A 132 1.499 -4.799 2.396 1.00 0.00 H ATOM 1349 N VAL A 133 -1.560 -4.787 3.306 1.00 0.18 N ATOM 1350 CA VAL A 133 -2.864 -4.215 3.581 1.00 0.17 C ATOM 1351 C VAL A 133 -3.826 -4.500 2.439 1.00 0.18 C ATOM 1352 O VAL A 133 -4.983 -4.870 2.661 1.00 0.19 O ATOM 1353 CB VAL A 133 -2.719 -2.686 3.780 1.00 0.15 C ATOM 1354 CG1 VAL A 133 -4.029 -1.960 3.543 1.00 0.15 C ATOM 1355 CG2 VAL A 133 -2.172 -2.370 5.170 1.00 0.18 C ATOM 1356 HA VAL A 133 -3.266 -4.667 4.488 1.00 0.00 H ATOM 1357 HB VAL A 133 -2.007 -2.328 3.037 1.00 0.00 H ATOM 1358 HG11 VAL A 133 -4.364 -2.142 2.522 1.00 0.00 H ATOM 1359 HG12 VAL A 133 -4.778 -2.327 4.244 1.00 0.00 H ATOM 1360 HG13 VAL A 133 -3.882 -0.890 3.693 1.00 0.00 H ATOM 1361 HG21 VAL A 133 -2.855 -2.760 5.925 1.00 0.00 H ATOM 1362 HG22 VAL A 133 -1.193 -2.835 5.288 1.00 0.00 H ATOM 1363 HG23 VAL A 133 -2.079 -1.290 5.286 1.00 0.00 H ATOM 1364 H VAL A 133 -0.728 -4.167 3.380 1.00 0.00 H ATOM 1365 N LEU A 134 -3.327 -4.346 1.224 1.00 0.18 N ATOM 1366 CA LEU A 134 -4.117 -4.583 0.035 1.00 0.20 C ATOM 1367 C LEU A 134 -4.632 -6.017 -0.006 1.00 0.23 C ATOM 1368 O LEU A 134 -5.823 -6.244 -0.146 1.00 0.28 O ATOM 1369 CB LEU A 134 -3.282 -4.284 -1.211 1.00 0.19 C ATOM 1370 CG LEU A 134 -2.844 -2.826 -1.346 1.00 0.19 C ATOM 1371 CD1 LEU A 134 -1.888 -2.637 -2.506 1.00 0.21 C ATOM 1372 CD2 LEU A 134 -4.052 -1.946 -1.526 1.00 0.20 C ATOM 1373 HA LEU A 134 -4.980 -3.917 0.058 1.00 0.00 H ATOM 1374 HB2 LEU A 134 -2.388 -4.907 -1.179 1.00 0.00 H ATOM 1375 HB3 LEU A 134 -3.874 -4.545 -2.088 1.00 0.00 H ATOM 1376 HG LEU A 134 -2.319 -2.546 -0.433 1.00 0.00 H ATOM 1377 HD21 LEU A 134 -4.588 -2.247 -2.426 1.00 0.00 H ATOM 1378 HD22 LEU A 134 -4.706 -2.048 -0.660 1.00 0.00 H ATOM 1379 HD23 LEU A 134 -3.733 -0.908 -1.622 1.00 0.00 H ATOM 1380 HD11 LEU A 134 -1.001 -3.250 -2.348 1.00 0.00 H ATOM 1381 HD12 LEU A 134 -2.378 -2.937 -3.432 1.00 0.00 H ATOM 1382 HD13 LEU A 134 -1.599 -1.588 -2.570 1.00 0.00 H ATOM 1383 H LEU A 134 -2.337 -4.045 1.120 1.00 0.00 H ATOM 1384 N LYS A 135 -3.745 -6.984 0.146 1.00 0.25 N ATOM 1385 CA LYS A 135 -4.142 -8.381 0.036 1.00 0.29 C ATOM 1386 C LYS A 135 -4.779 -8.910 1.315 1.00 0.30 C ATOM 1387 O LYS A 135 -5.610 -9.816 1.271 1.00 0.35 O ATOM 1388 CB LYS A 135 -2.961 -9.251 -0.365 1.00 0.33 C ATOM 1389 CG LYS A 135 -3.062 -9.762 -1.789 1.00 0.38 C ATOM 1390 CD LYS A 135 -4.301 -10.636 -1.986 1.00 0.45 C ATOM 1391 CE LYS A 135 -4.291 -11.312 -3.347 1.00 0.91 C ATOM 1392 NZ LYS A 135 -5.241 -12.453 -3.407 1.00 1.59 N ATOM 1393 HA LYS A 135 -4.900 -8.429 -0.746 1.00 0.00 H ATOM 1394 HB2 LYS A 135 -2.048 -8.664 -0.270 1.00 0.00 H ATOM 1395 HB3 LYS A 135 -2.914 -10.106 0.309 1.00 0.00 H ATOM 1396 HG2 LYS A 135 -3.117 -8.911 -2.468 1.00 0.00 H ATOM 1397 HG3 LYS A 135 -2.173 -10.350 -2.018 1.00 0.00 H ATOM 1398 HD2 LYS A 135 -4.323 -11.401 -1.210 1.00 0.00 H ATOM 1399 HD3 LYS A 135 -5.192 -10.013 -1.906 1.00 0.00 H ATOM 1400 HE2 LYS A 135 -3.285 -11.680 -3.551 1.00 0.00 H ATOM 1401 HE3 LYS A 135 -4.570 -10.581 -4.106 1.00 0.00 H ATOM 1402 HZ1 LYS A 135 -4.978 -13.159 -2.690 1.00 0.00 H ATOM 1403 HZ2 LYS A 135 -6.205 -12.110 -3.220 1.00 0.00 H ATOM 1404 HZ3 LYS A 135 -5.202 -12.885 -4.352 1.00 0.00 H ATOM 1405 H LYS A 135 -2.753 -6.745 0.346 1.00 0.00 H ATOM 1406 N ALA A 136 -4.384 -8.361 2.449 1.00 0.27 N ATOM 1407 CA ALA A 136 -4.901 -8.817 3.732 1.00 0.30 C ATOM 1408 C ALA A 136 -6.399 -8.576 3.845 1.00 0.31 C ATOM 1409 O ALA A 136 -7.125 -9.387 4.419 1.00 0.37 O ATOM 1410 CB ALA A 136 -4.180 -8.127 4.879 1.00 0.33 C ATOM 1411 HA ALA A 136 -4.721 -9.890 3.793 1.00 0.00 H ATOM 1412 HB1 ALA A 136 -3.115 -8.355 4.827 1.00 0.00 H ATOM 1413 HB2 ALA A 136 -4.326 -7.050 4.803 1.00 0.00 H ATOM 1414 HB3 ALA A 136 -4.583 -8.484 5.827 1.00 0.00 H ATOM 1415 H ALA A 136 -3.690 -7.587 2.426 1.00 0.00 H ATOM 1416 N HIS A 137 -6.863 -7.460 3.301 1.00 0.30 N ATOM 1417 CA HIS A 137 -8.252 -7.082 3.451 1.00 0.35 C ATOM 1418 C HIS A 137 -9.000 -7.111 2.122 1.00 0.35 C ATOM 1419 O HIS A 137 -10.207 -6.869 2.077 1.00 0.54 O ATOM 1420 CB HIS A 137 -8.343 -5.698 4.083 1.00 0.39 C ATOM 1421 CG HIS A 137 -7.476 -5.541 5.298 1.00 0.42 C ATOM 1422 ND1 HIS A 137 -7.733 -6.166 6.498 1.00 0.48 N ATOM 1423 CD2 HIS A 137 -6.322 -4.858 5.477 1.00 0.43 C ATOM 1424 CE1 HIS A 137 -6.776 -5.876 7.357 1.00 0.51 C ATOM 1425 NE2 HIS A 137 -5.906 -5.082 6.765 1.00 0.49 N ATOM 1426 HA HIS A 137 -8.729 -7.813 4.104 1.00 0.00 H ATOM 1427 HB2 HIS A 137 -8.038 -4.959 3.342 1.00 0.00 H ATOM 1428 HB3 HIS A 137 -9.378 -5.516 4.371 1.00 0.00 H ATOM 1429 HD2 HIS A 137 -5.815 -4.242 4.734 1.00 0.00 H ATOM 1430 HE1 HIS A 137 -6.714 -6.233 8.385 1.00 0.00 H ATOM 1431 H HIS A 137 -6.220 -6.848 2.759 1.00 0.00 H ATOM 1432 N SER A 138 -8.290 -7.421 1.045 1.00 0.31 N ATOM 1433 CA SER A 138 -8.894 -7.459 -0.280 1.00 0.33 C ATOM 1434 C SER A 138 -8.394 -8.669 -1.064 1.00 0.55 C ATOM 1435 O SER A 138 -7.213 -9.007 -1.012 1.00 1.05 O ATOM 1436 CB SER A 138 -8.557 -6.184 -1.045 1.00 0.38 C ATOM 1437 OG SER A 138 -8.264 -5.126 -0.163 1.00 1.00 O ATOM 1438 HA SER A 138 -9.975 -7.537 -0.161 1.00 0.00 H ATOM 1439 HB2 SER A 138 -9.409 -5.905 -1.665 1.00 0.00 H ATOM 1440 HB3 SER A 138 -7.691 -6.368 -1.681 1.00 0.00 H ATOM 1441 HG SER A 138 -7.488 -5.373 0.400 1.00 0.00 H ATOM 1442 H SER A 138 -7.279 -7.642 1.149 1.00 0.00 H ATOM 1443 N ALA A 139 -9.311 -9.309 -1.788 1.00 0.38 N ATOM 1444 CA ALA A 139 -9.008 -10.462 -2.631 1.00 0.60 C ATOM 1445 C ALA A 139 -8.482 -11.625 -1.798 1.00 1.01 C ATOM 1446 O ALA A 139 -7.738 -12.481 -2.285 1.00 1.45 O ATOM 1447 CB ALA A 139 -8.035 -10.065 -3.725 1.00 1.41 C ATOM 1448 HA ALA A 139 -9.928 -10.802 -3.107 1.00 0.00 H ATOM 1449 HB1 ALA A 139 -8.479 -9.280 -4.337 1.00 0.00 H ATOM 1450 HB2 ALA A 139 -7.113 -9.698 -3.274 1.00 0.00 H ATOM 1451 HB3 ALA A 139 -7.816 -10.933 -4.347 1.00 0.00 H ATOM 1452 H ALA A 139 -10.293 -8.970 -1.751 1.00 0.00 H ATOM 1453 N LYS A 140 -8.888 -11.626 -0.537 1.00 1.55 N ATOM 1454 CA LYS A 140 -8.542 -12.671 0.418 1.00 2.37 C ATOM 1455 C LYS A 140 -9.291 -12.396 1.720 1.00 2.97 C ATOM 1456 O LYS A 140 -8.908 -12.850 2.800 1.00 3.60 O ATOM 1457 CB LYS A 140 -7.028 -12.701 0.680 1.00 2.91 C ATOM 1458 CG LYS A 140 -6.551 -13.967 1.382 1.00 3.65 C ATOM 1459 CD LYS A 140 -5.123 -13.836 1.889 1.00 4.31 C ATOM 1460 CE LYS A 140 -5.012 -12.795 2.996 1.00 5.16 C ATOM 1461 NZ LYS A 140 -3.670 -12.806 3.632 1.00 5.98 N ATOM 1462 HA LYS A 140 -8.826 -13.641 0.011 1.00 0.00 H ATOM 1463 HB2 LYS A 140 -6.512 -12.623 -0.277 1.00 0.00 H ATOM 1464 HB3 LYS A 140 -6.769 -11.844 1.302 1.00 0.00 H ATOM 1465 HG2 LYS A 140 -7.208 -14.169 2.228 1.00 0.00 H ATOM 1466 HG3 LYS A 140 -6.600 -14.799 0.679 1.00 0.00 H ATOM 1467 HD2 LYS A 140 -4.795 -14.801 2.277 1.00 0.00 H ATOM 1468 HD3 LYS A 140 -4.479 -13.541 1.060 1.00 0.00 H ATOM 1469 HE2 LYS A 140 -5.764 -13.006 3.756 1.00 0.00 H ATOM 1470 HE3 LYS A 140 -5.193 -11.808 2.571 1.00 0.00 H ATOM 1471 HZ1 LYS A 140 -3.491 -13.743 4.046 1.00 0.00 H ATOM 1472 HZ2 LYS A 140 -2.946 -12.599 2.915 1.00 0.00 H ATOM 1473 HZ3 LYS A 140 -3.636 -12.084 4.379 1.00 0.00 H ATOM 1474 H LYS A 140 -9.485 -10.839 -0.211 1.00 0.00 H ATOM 1475 N LYS A 141 -10.381 -11.653 1.599 1.00 3.06 N ATOM 1476 CA LYS A 141 -11.091 -11.138 2.747 1.00 3.93 C ATOM 1477 C LYS A 141 -12.059 -12.173 3.321 1.00 4.23 C ATOM 1478 O LYS A 141 -13.280 -12.083 3.147 1.00 4.43 O ATOM 1479 CB LYS A 141 -11.821 -9.860 2.350 1.00 4.13 C ATOM 1480 CG LYS A 141 -12.647 -9.264 3.467 1.00 5.03 C ATOM 1481 CD LYS A 141 -13.448 -8.063 2.990 1.00 5.51 C ATOM 1482 CE LYS A 141 -14.320 -7.487 4.096 1.00 6.31 C ATOM 1483 NZ LYS A 141 -15.281 -8.492 4.634 1.00 6.50 N ATOM 1484 HA LYS A 141 -10.372 -10.912 3.534 1.00 0.00 H ATOM 1485 HB2 LYS A 141 -11.081 -9.123 2.037 1.00 0.00 H ATOM 1486 HB3 LYS A 141 -12.483 -10.086 1.514 1.00 0.00 H ATOM 1487 HG2 LYS A 141 -13.335 -10.022 3.842 1.00 0.00 H ATOM 1488 HG3 LYS A 141 -11.981 -8.949 4.271 1.00 0.00 H ATOM 1489 HD2 LYS A 141 -12.758 -7.292 2.648 1.00 0.00 H ATOM 1490 HD3 LYS A 141 -14.086 -8.371 2.162 1.00 0.00 H ATOM 1491 HE2 LYS A 141 -14.881 -6.642 3.697 1.00 0.00 H ATOM 1492 HE3 LYS A 141 -13.678 -7.145 4.908 1.00 0.00 H ATOM 1493 HZ1 LYS A 141 -15.903 -8.820 3.868 1.00 0.00 H ATOM 1494 HZ2 LYS A 141 -14.754 -9.300 5.024 1.00 0.00 H ATOM 1495 HZ3 LYS A 141 -15.854 -8.055 5.384 1.00 0.00 H ATOM 1496 H LYS A 141 -10.737 -11.433 0.647 1.00 0.00 H ATOM 1497 N LYS A 142 -11.502 -13.181 3.971 1.00 4.72 N ATOM 1498 CA LYS A 142 -12.297 -14.140 4.719 1.00 5.36 C ATOM 1499 C LYS A 142 -12.237 -13.819 6.206 1.00 5.84 C ATOM 1500 O LYS A 142 -13.182 -14.063 6.949 1.00 6.44 O ATOM 1501 CB LYS A 142 -11.767 -15.548 4.485 1.00 6.09 C ATOM 1502 CG LYS A 142 -11.718 -15.947 3.025 1.00 6.27 C ATOM 1503 CD LYS A 142 -10.568 -16.897 2.782 1.00 6.25 C ATOM 1504 CE LYS A 142 -10.510 -17.360 1.339 1.00 7.00 C ATOM 1505 NZ LYS A 142 -9.410 -18.336 1.123 1.00 7.51 N ATOM 1506 HA LYS A 142 -13.331 -14.080 4.378 1.00 0.00 H ATOM 1507 HB2 LYS A 142 -10.758 -15.608 4.892 1.00 0.00 H ATOM 1508 HB3 LYS A 142 -12.412 -16.251 5.012 1.00 0.00 H ATOM 1509 HG2 LYS A 142 -12.653 -16.436 2.754 1.00 0.00 H ATOM 1510 HG3 LYS A 142 -11.585 -15.056 2.412 1.00 0.00 H ATOM 1511 HD2 LYS A 142 -9.635 -16.390 3.027 1.00 0.00 H ATOM 1512 HD3 LYS A 142 -10.688 -17.768 3.427 1.00 0.00 H ATOM 1513 HE2 LYS A 142 -10.348 -16.495 0.696 1.00 0.00 H ATOM 1514 HE3 LYS A 142 -11.458 -17.831 1.080 1.00 0.00 H ATOM 1515 HZ1 LYS A 142 -8.501 -17.891 1.363 1.00 0.00 H ATOM 1516 HZ2 LYS A 142 -9.561 -19.167 1.730 1.00 0.00 H ATOM 1517 HZ3 LYS A 142 -9.400 -18.631 0.126 1.00 0.00 H ATOM 1518 H LYS A 142 -10.468 -13.290 3.946 1.00 0.00 H ATOM 1519 N LEU A 143 -11.106 -13.260 6.622 1.00 5.94 N ATOM 1520 CA LEU A 143 -10.844 -12.960 8.001 1.00 6.75 C ATOM 1521 C LEU A 143 -11.739 -11.837 8.514 1.00 7.48 C ATOM 1522 O LEU A 143 -12.290 -11.918 9.613 1.00 8.28 O ATOM 1523 CB LEU A 143 -9.380 -12.559 8.123 1.00 7.07 C ATOM 1524 CG LEU A 143 -8.407 -13.668 8.537 1.00 7.20 C ATOM 1525 CD1 LEU A 143 -8.787 -14.241 9.893 1.00 7.67 C ATOM 1526 CD2 LEU A 143 -8.362 -14.768 7.485 1.00 7.50 C ATOM 1527 HA LEU A 143 -11.058 -13.840 8.607 1.00 0.00 H ATOM 1528 HB2 LEU A 143 -9.057 -12.178 7.154 1.00 0.00 H ATOM 1529 HB3 LEU A 143 -9.314 -11.764 8.865 1.00 0.00 H ATOM 1530 HG LEU A 143 -7.412 -13.231 8.617 1.00 0.00 H ATOM 1531 HD21 LEU A 143 -9.357 -15.198 7.368 1.00 0.00 H ATOM 1532 HD22 LEU A 143 -8.033 -14.347 6.535 1.00 0.00 H ATOM 1533 HD23 LEU A 143 -7.665 -15.543 7.802 1.00 0.00 H ATOM 1534 HD11 LEU A 143 -8.758 -13.449 10.642 1.00 0.00 H ATOM 1535 HD12 LEU A 143 -9.793 -14.657 9.841 1.00 0.00 H ATOM 1536 HD13 LEU A 143 -8.082 -15.026 10.165 1.00 0.00 H ATOM 1537 H LEU A 143 -10.377 -13.029 5.917 1.00 0.00 H ATOM 1538 N ASN A 144 -11.874 -10.795 7.713 1.00 7.45 N ATOM 1539 CA ASN A 144 -12.625 -9.620 8.099 1.00 8.37 C ATOM 1540 C ASN A 144 -14.036 -9.681 7.546 1.00 8.41 C ATOM 1541 O ASN A 144 -14.192 -10.082 6.375 1.00 8.66 O ATOM 1542 CB ASN A 144 -11.929 -8.353 7.600 1.00 8.96 C ATOM 1543 CG ASN A 144 -10.557 -8.149 8.216 1.00 9.14 C ATOM 1544 OD1 ASN A 144 -9.663 -7.599 7.578 1.00 9.67 O ATOM 1545 ND2 ASN A 144 -10.382 -8.579 9.457 1.00 8.96 N ATOM 1546 HA ASN A 144 -12.675 -9.593 9.188 1.00 0.00 H ATOM 1547 OXT ASN A 144 -14.979 -9.288 8.264 1.00 8.44 O ATOM 1548 HB2 ASN A 144 -11.818 -8.421 6.518 1.00 0.00 H ATOM 1549 HB3 ASN A 144 -12.552 -7.494 7.847 1.00 0.00 H ATOM 1550 HD22 ASN A 144 -11.165 -9.040 9.963 1.00 0.00 H ATOM 1551 HD21 ASN A 144 -9.462 -8.456 9.925 1.00 0.00 H ATOM 1552 H ASN A 144 -11.426 -10.820 6.775 1.00 0.00 H TER 1553 ASN A 144 HETATM 1554 N GLY A 1 -0.662 -19.107 8.841 1.00 0.24 N HETATM 1555 CA GLY A 1 0.763 -18.986 8.460 1.00 0.05 C HETATM 1556 C GLY A 1 0.954 -18.070 7.271 1.00 0.22 C HETATM 1557 O GLY A 1 -0.016 -17.527 6.737 1.00 -0.39 O HETATM 1558 N GLY A 1 2.199 -17.904 6.854 1.00 -0.26 N HETATM 1559 CA GLY A 1 2.538 -16.992 5.774 1.00 0.15 C HETATM 1560 C GLY A 1 2.071 -17.510 4.412 1.00 0.21 C HETATM 1561 O GLY A 1 2.758 -18.295 3.760 1.00 -0.39 O HETATM 1562 N GLY A 1 0.881 -17.084 4.001 1.00 -0.26 N HETATM 1563 CA GLY A 1 0.390 -17.374 2.659 1.00 0.13 C HETATM 1564 C GLY A 1 0.848 -16.287 1.697 1.00 0.20 C HETATM 1565 O GLY A 1 0.592 -16.345 0.493 1.00 -0.39 O HETATM 1566 N GLY A 1 1.501 -15.278 2.256 1.00 -0.26 N HETATM 1567 CA GLY A 1 2.169 -14.256 1.484 1.00 0.13 C HETATM 1568 C GLY A 1 3.448 -13.859 2.206 1.00 0.20 C HETATM 1569 O GLY A 1 3.569 -14.056 3.418 1.00 -0.39 O HETATM 1570 N GLY A 1 4.403 -13.315 1.465 1.00 -0.26 N HETATM 1571 CA GLY A 1 5.657 -12.868 2.059 1.00 0.14 C HETATM 1572 C GLY A 1 5.444 -11.564 2.811 1.00 0.21 C HETATM 1573 O GLY A 1 6.265 -11.173 3.641 1.00 -0.39 O HETATM 1574 N GLY A 1 4.337 -10.895 2.493 1.00 -0.26 N HETATM 1575 CA GLY A 1 3.886 -9.715 3.218 1.00 0.15 C HETATM 1576 C GLY A 1 4.919 -8.590 3.186 1.00 0.21 C HETATM 1577 O GLY A 1 5.132 -7.959 2.155 1.00 -0.39 O HETATM 1578 N GLY A 1 5.550 -8.348 4.317 1.00 -0.26 N HETATM 1579 CA GLY A 1 6.561 -7.310 4.433 1.00 0.14 C HETATM 1580 C GLY A 1 7.876 -7.784 3.833 1.00 0.21 C HETATM 1581 O GLY A 1 8.548 -7.046 3.112 1.00 -0.39 O HETATM 1582 N GLY A 1 8.207 -9.038 4.075 1.00 -0.26 N HETATM 1583 CA GLY A 1 9.437 -9.617 3.560 1.00 0.15 C HETATM 1584 C GLY A 1 9.428 -9.657 2.038 1.00 0.21 C HETATM 1585 O GLY A 1 10.475 -9.727 1.400 1.00 -0.39 O HETATM 1586 N GLY A 1 8.228 -9.585 1.479 1.00 -0.26 N HETATM 1587 CA GLY A 1 8.014 -9.588 0.038 1.00 0.13 C HETATM 1588 C GLY A 1 8.807 -8.463 -0.629 1.00 0.20 C HETATM 1589 O GLY A 1 9.280 -8.592 -1.758 1.00 -0.39 O HETATM 1590 N GLY A 1 8.951 -7.372 0.101 1.00 -0.26 N HETATM 1591 CA GLY A 1 9.735 -6.231 -0.321 1.00 0.13 C HETATM 1592 C GLY A 1 11.199 -6.473 -0.025 1.00 0.20 C HETATM 1593 O GLY A 1 12.076 -6.297 -0.871 1.00 -0.39 O HETATM 1594 N GLY A 1 11.424 -6.867 1.219 1.00 -0.26 N HETATM 1595 CA GLY A 1 12.762 -7.089 1.778 1.00 0.13 C HETATM 1596 C GLY A 1 13.620 -7.983 0.892 1.00 0.20 C HETATM 1597 O GLY A 1 14.850 -7.934 0.954 1.00 -0.39 O HETATM 1598 N GLY A 1 12.951 -8.794 0.088 1.00 -0.26 N HETATM 1599 CA GLY A 1 13.602 -9.734 -0.822 1.00 0.13 C HETATM 1600 C GLY A 1 14.695 -9.059 -1.627 1.00 0.20 C HETATM 1601 O GLY A 1 15.801 -9.581 -1.761 1.00 -0.39 O HETATM 1602 N GLY A 1 14.377 -7.897 -2.161 1.00 -0.26 N HETATM 1603 CA GLY A 1 15.305 -7.192 -3.024 1.00 0.14 C HETATM 1604 C GLY A 1 15.663 -5.804 -2.498 1.00 0.21 C HETATM 1605 O GLY A 1 16.760 -5.305 -2.763 1.00 -0.39 O HETATM 1606 N GLY A 1 14.767 -5.176 -1.745 1.00 -0.26 N HETATM 1607 CA GLY A 1 15.007 -3.814 -1.299 1.00 0.14 C HETATM 1608 C GLY A 1 14.439 -3.557 0.089 1.00 0.21 C HETATM 1609 O GLY A 1 13.424 -4.129 0.463 1.00 -0.39 O HETATM 1610 N GLY A 1 15.135 -2.713 0.845 1.00 -0.26 N HETATM 1611 CA GLY A 1 14.695 -2.253 2.161 1.00 0.16 C HETATM 1612 C GLY A 1 15.630 -1.152 2.660 1.00 0.21 C HETATM 1613 O GLY A 1 16.645 -0.867 2.025 1.00 -0.39 O HETATM 1614 N GLY A 1 15.286 -0.535 3.782 1.00 -0.26 N HETATM 1615 CA GLY A 1 16.081 0.562 4.328 1.00 0.13 C HETATM 1616 C GLY A 1 16.944 0.071 5.480 1.00 0.20 C HETATM 1617 O GLY A 1 17.220 -1.123 5.588 1.00 -0.39 O HETATM 1618 N GLY A 1 17.358 0.997 6.341 1.00 -0.26 N HETATM 1619 CA GLY A 1 18.175 0.659 7.499 1.00 0.13 C HETATM 1620 C GLY A 1 17.457 -0.353 8.394 1.00 0.20 C HETATM 1621 O GLY A 1 18.064 -1.317 8.860 1.00 -0.39 O HETATM 1622 N GLY A 1 16.156 -0.122 8.594 1.00 -0.27 N HETATM 1623 CA GLY A 1 15.303 -0.955 9.438 1.00 0.10 C HETATM 1624 C GLY A 1 15.973 -1.315 10.762 1.00 0.06 C HETATM 1625 O GLY A 1 16.438 -2.466 10.912 1.00 -0.57 O HETATM 1626 OXT GLY A 1 16.037 -0.434 11.644 1.00 -0.57 O HETATM 1627 CB GLY A 1 14.877 -2.204 8.674 1.00 -0.00 C HETATM 1628 CG GLY A 1 13.928 -1.884 7.577 1.00 -0.04 C HETATM 1629 CD1 GLY A 1 14.014 -0.848 6.710 1.00 0.02 C HETATM 1630 NE1 GLY A 1 12.947 -0.861 5.848 1.00 -0.29 N HETATM 1631 CE2 GLY A 1 12.157 -1.935 6.152 1.00 0.06 C HETATM 1632 CD2 GLY A 1 12.747 -2.595 7.241 1.00 -0.02 C HETATM 1633 CE3 GLY A 1 12.131 -3.726 7.754 1.00 -0.07 C HETATM 1634 CZ3 GLY A 1 10.965 -4.157 7.174 1.00 -0.08 C HETATM 1635 CH2 GLY A 1 10.402 -3.487 6.093 1.00 -0.08 C HETATM 1636 CZ2 GLY A 1 10.980 -2.378 5.570 1.00 -0.04 C HETATM 1637 H124 GLY A 1 10.538 -1.857 4.728 1.00 0.05 H HETATM 1638 H126 GLY A 1 9.481 -3.860 5.659 1.00 0.05 H HETATM 1639 H125 GLY A 1 10.472 -5.039 7.567 1.00 0.05 H HETATM 1640 H123 GLY A 1 12.561 -4.258 8.595 1.00 0.05 H HETATM 1641 H122 GLY A 1 12.771 -0.177 5.098 1.00 0.22 H HETATM 1642 H121 GLY A 1 14.815 -0.110 6.699 1.00 0.08 H HETATM 1643 H119 GLY A 1 14.391 -2.900 9.373 1.00 0.04 H HETATM 1644 H120 GLY A 1 15.771 -2.680 8.244 1.00 0.04 H HETATM 1645 H118 GLY A 1 14.397 -0.377 9.673 1.00 0.07 H HETATM 1646 H117 GLY A 1 15.742 0.667 8.139 1.00 0.19 H HETATM 1647 CB GLY A 1 18.533 1.920 8.307 1.00 -0.01 C HETATM 1648 CG GLY A 1 17.391 2.445 9.161 1.00 -0.02 C HETATM 1649 CD GLY A 1 16.743 3.671 8.572 1.00 0.06 C HETATM 1650 NE GLY A 1 17.496 4.881 8.882 1.00 -0.27 N HETATM 1651 CZ GLY A 1 17.370 5.556 10.027 1.00 0.29 C HETATM 1652 NH1 GLY A 1 16.551 5.114 10.982 1.00 -0.28 N HETATM 1653 H113 GLY A 1 16.457 5.638 11.864 1.00 0.26 H HETATM 1654 H114 GLY A 1 16.012 4.248 10.838 1.00 0.26 H HETATM 1655 NH2 GLY A 1 18.072 6.663 10.221 1.00 -0.28 N HETATM 1656 H115 GLY A 1 18.705 7.007 9.485 1.00 0.26 H HETATM 1657 H116 GLY A 1 17.984 7.180 11.108 1.00 0.26 H HETATM 1658 H112 GLY A 1 18.161 5.234 8.179 1.00 0.26 H HETATM 1659 H110 GLY A 1 15.727 3.769 8.982 1.00 0.07 H HETATM 1660 H111 GLY A 1 16.688 3.555 7.479 1.00 0.07 H HETATM 1661 H108 GLY A 1 17.783 2.698 10.157 1.00 0.03 H HETATM 1662 H109 GLY A 1 16.631 1.656 9.256 1.00 0.03 H HETATM 1663 H106 GLY A 1 18.831 2.710 7.603 1.00 0.03 H HETATM 1664 H107 GLY A 1 19.379 1.680 8.968 1.00 0.03 H HETATM 1665 H105 GLY A 1 19.109 0.202 7.139 1.00 0.08 H HETATM 1666 H104 GLY A 1 17.101 1.952 6.189 1.00 0.19 H HETATM 1667 CB GLY A 1 15.177 1.697 4.797 1.00 -0.02 C HETATM 1668 H101 GLY A 1 15.793 2.512 5.204 1.00 0.03 H HETATM 1669 H102 GLY A 1 14.498 1.326 5.578 1.00 0.03 H HETATM 1670 H103 GLY A 1 14.588 2.072 3.947 1.00 0.03 H HETATM 1671 H100 GLY A 1 16.740 0.944 3.534 1.00 0.08 H HETATM 1672 H99 GLY A 1 14.462 -0.828 4.266 1.00 0.19 H HETATM 1673 CB GLY A 1 14.622 -3.394 3.205 1.00 0.09 C HETATM 1674 OG1 GLY A 1 15.511 -4.459 2.841 1.00 -0.39 O HETATM 1675 H95 GLY A 1 15.263 -4.800 1.990 1.00 0.21 H HETATM 1676 CG2 GLY A 1 13.204 -3.916 3.317 1.00 -0.03 C HETATM 1677 H96 GLY A 1 13.169 -4.725 4.062 1.00 0.03 H HETATM 1678 H97 GLY A 1 12.877 -4.302 2.340 1.00 0.03 H HETATM 1679 H98 GLY A 1 12.537 -3.100 3.631 1.00 0.03 H HETATM 1680 H94 GLY A 1 14.930 -2.996 4.183 1.00 0.06 H HETATM 1681 H93 GLY A 1 13.685 -1.831 2.051 1.00 0.08 H HETATM 1682 H92 GLY A 1 16.008 -2.374 0.494 1.00 0.19 H HETATM 1683 CB GLY A 1 14.449 -2.799 -2.314 1.00 0.02 C HETATM 1684 CG GLY A 1 12.992 -2.938 -2.663 1.00 -0.04 C HETATM 1685 CD1 GLY A 1 12.010 -2.864 -1.695 1.00 -0.06 C HETATM 1686 CE1 GLY A 1 10.684 -2.972 -2.026 1.00 -0.07 C HETATM 1687 CZ GLY A 1 10.313 -3.161 -3.341 1.00 -0.07 C HETATM 1688 CE2 GLY A 1 11.280 -3.234 -4.322 1.00 -0.07 C HETATM 1689 CD2 GLY A 1 12.611 -3.121 -3.981 1.00 -0.06 C HETATM 1690 H88 GLY A 1 13.368 -3.176 -4.755 1.00 0.06 H HETATM 1691 H90 GLY A 1 10.994 -3.380 -5.357 1.00 0.06 H HETATM 1692 H91 GLY A 1 9.265 -3.252 -3.603 1.00 0.06 H HETATM 1693 H89 GLY A 1 9.926 -2.909 -1.253 1.00 0.06 H HETATM 1694 H87 GLY A 1 12.292 -2.718 -0.658 1.00 0.06 H HETATM 1695 H85 GLY A 1 15.028 -2.902 -3.244 1.00 0.05 H HETATM 1696 H86 GLY A 1 14.599 -1.792 -1.898 1.00 0.05 H HETATM 1697 H84 GLY A 1 16.096 -3.670 -1.244 1.00 0.08 H HETATM 1698 H83 GLY A 1 13.922 -5.643 -1.484 1.00 0.19 H HETATM 1699 CB GLY A 1 14.738 -7.096 -4.443 1.00 0.02 C HETATM 1700 CG GLY A 1 13.226 -7.149 -4.524 1.00 -0.05 C HETATM 1701 CD1 GLY A 1 12.431 -6.312 -3.754 1.00 -0.07 C HETATM 1702 CE1 GLY A 1 11.065 -6.347 -3.837 1.00 -0.04 C HETATM 1703 CZ GLY A 1 10.454 -7.231 -4.703 1.00 0.08 C HETATM 1704 CE2 GLY A 1 11.216 -8.075 -5.481 1.00 -0.04 C HETATM 1705 CD2 GLY A 1 12.593 -8.030 -5.391 1.00 -0.07 C HETATM 1706 H79 GLY A 1 13.190 -8.693 -6.007 1.00 0.05 H HETATM 1707 H81 GLY A 1 10.737 -8.771 -6.160 1.00 0.05 H HETATM 1708 OH GLY A 1 9.084 -7.266 -4.800 1.00 -0.34 O HETATM 1709 H82 GLY A 1 8.709 -6.629 -4.203 1.00 0.25 H HETATM 1710 H80 GLY A 1 10.466 -5.683 -3.225 1.00 0.05 H HETATM 1711 H78 GLY A 1 12.902 -5.614 -3.071 1.00 0.05 H HETATM 1712 H76 GLY A 1 15.142 -7.933 -5.031 1.00 0.05 H HETATM 1713 H77 GLY A 1 15.072 -6.144 -4.882 1.00 0.05 H HETATM 1714 H75 GLY A 1 16.233 -7.781 -3.066 1.00 0.08 H HETATM 1715 H74 GLY A 1 13.482 -7.495 -1.968 1.00 0.19 H HETATM 1716 CB GLY A 1 12.580 -10.324 -1.786 1.00 0.00 C HETATM 1717 CG GLY A 1 11.427 -11.007 -1.098 1.00 0.04 C HETATM 1718 CD GLY A 1 11.854 -12.201 -0.273 1.00 0.17 C HETATM 1719 OE1 GLY A 1 11.932 -13.326 -0.771 1.00 -0.40 O HETATM 1720 NE2 GLY A 1 12.127 -11.967 0.996 1.00 -0.30 N HETATM 1721 H72 GLY A 1 12.415 -12.717 1.592 1.00 0.18 H HETATM 1722 H73 GLY A 1 12.046 -11.040 1.362 1.00 0.18 H HETATM 1723 H70 GLY A 1 10.714 -11.347 -1.863 1.00 0.05 H HETATM 1724 H71 GLY A 1 10.935 -10.281 -0.435 1.00 0.05 H HETATM 1725 H68 GLY A 1 13.089 -11.060 -2.425 1.00 0.03 H HETATM 1726 H69 GLY A 1 12.181 -9.511 -2.410 1.00 0.03 H HETATM 1727 H67 GLY A 1 14.047 -10.546 -0.228 1.00 0.08 H HETATM 1728 H66 GLY A 1 11.952 -8.762 0.104 1.00 0.19 H HETATM 1729 CB GLY A 1 12.668 -7.729 3.161 1.00 -0.00 C HETATM 1730 CG GLY A 1 11.616 -7.130 4.080 1.00 0.00 C HETATM 1731 CD GLY A 1 11.770 -7.634 5.505 1.00 0.04 C HETATM 1732 OE1 GLY A 1 11.197 -8.697 5.831 1.00 -0.57 O HETATM 1733 OE2 GLY A 1 12.498 -6.994 6.293 1.00 -0.57 O HETATM 1734 H64 GLY A 1 10.618 -7.406 3.709 1.00 0.04 H HETATM 1735 H65 GLY A 1 11.719 -6.035 4.075 1.00 0.04 H HETATM 1736 H62 GLY A 1 13.647 -7.625 3.651 1.00 0.03 H HETATM 1737 H63 GLY A 1 12.436 -8.796 3.027 1.00 0.03 H HETATM 1738 H61 GLY A 1 13.258 -6.112 1.872 1.00 0.08 H HETATM 1739 H60 GLY A 1 10.635 -7.022 1.813 1.00 0.19 H HETATM 1740 CB GLY A 1 9.317 -5.006 0.459 1.00 -0.01 C HETATM 1741 CG GLY A 1 7.919 -4.449 0.208 1.00 -0.04 C HETATM 1742 CD1 GLY A 1 7.795 -3.881 -1.184 1.00 -0.06 C HETATM 1743 H54 GLY A 1 6.778 -3.489 -1.331 1.00 0.02 H HETATM 1744 H55 GLY A 1 7.993 -4.672 -1.922 1.00 0.02 H HETATM 1745 H56 GLY A 1 8.524 -3.067 -1.314 1.00 0.02 H HETATM 1746 CD2 GLY A 1 6.858 -5.492 0.459 1.00 -0.06 C HETATM 1747 H57 GLY A 1 6.969 -5.890 1.478 1.00 0.02 H HETATM 1748 H58 GLY A 1 6.968 -6.310 -0.268 1.00 0.02 H HETATM 1749 H59 GLY A 1 5.863 -5.036 0.350 1.00 0.02 H HETATM 1750 H53 GLY A 1 7.755 -3.627 0.921 1.00 0.03 H HETATM 1751 H51 GLY A 1 10.036 -4.207 0.226 1.00 0.03 H HETATM 1752 H52 GLY A 1 9.383 -5.258 1.528 1.00 0.03 H HETATM 1753 H50 GLY A 1 9.590 -6.062 -1.398 1.00 0.08 H HETATM 1754 H49 GLY A 1 8.495 -7.332 0.990 1.00 0.19 H HETATM 1755 CB GLY A 1 6.519 -9.432 -0.225 1.00 -0.00 C HETATM 1756 CG GLY A 1 6.115 -9.635 -1.661 1.00 0.00 C HETATM 1757 CD GLY A 1 4.629 -9.914 -1.821 1.00 0.04 C HETATM 1758 OE1 GLY A 1 3.810 -8.985 -1.644 1.00 -0.57 O HETATM 1759 OE2 GLY A 1 4.276 -11.068 -2.137 1.00 -0.57 O HETATM 1760 H47 GLY A 1 6.678 -10.488 -2.067 1.00 0.04 H HETATM 1761 H48 GLY A 1 6.365 -8.726 -2.228 1.00 0.04 H HETATM 1762 H45 GLY A 1 6.221 -8.417 0.076 1.00 0.03 H HETATM 1763 H46 GLY A 1 5.983 -10.169 0.391 1.00 0.03 H HETATM 1764 H44 GLY A 1 8.353 -10.549 -0.375 1.00 0.08 H HETATM 1765 H43 GLY A 1 7.429 -9.526 2.077 1.00 0.19 H HETATM 1766 CB GLY A 1 9.607 -11.011 4.114 1.00 0.08 C HETATM 1767 OG GLY A 1 9.523 -11.001 5.530 1.00 -0.39 O HETATM 1768 H42 GLY A 1 10.207 -10.444 5.883 1.00 0.21 H HETATM 1769 H40 GLY A 1 10.590 -11.402 3.813 1.00 0.06 H HETATM 1770 H41 GLY A 1 8.816 -11.659 3.710 1.00 0.06 H HETATM 1771 H39 GLY A 1 10.284 -8.997 3.889 1.00 0.08 H HETATM 1772 H38 GLY A 1 7.596 -9.605 4.627 1.00 0.19 H HETATM 1773 CB GLY A 1 6.735 -6.895 5.908 1.00 0.04 C HETATM 1774 CG GLY A 1 7.063 -8.056 6.835 1.00 0.04 C HETATM 1775 OD1 GLY A 1 6.335 -9.074 6.808 1.00 -0.57 O HETATM 1776 OD2 GLY A 1 8.041 -7.952 7.605 1.00 -0.57 O HETATM 1777 H36 GLY A 1 5.799 -6.431 6.251 1.00 0.05 H HETATM 1778 H37 GLY A 1 7.552 -6.161 5.968 1.00 0.05 H HETATM 1779 H35 GLY A 1 6.222 -6.430 3.866 1.00 0.08 H HETATM 1780 H34 GLY A 1 5.326 -8.897 5.122 1.00 0.19 H HETATM 1781 CB GLY A 1 3.523 -10.106 4.655 1.00 0.08 C HETATM 1782 OG GLY A 1 2.994 -9.013 5.384 1.00 -0.39 O HETATM 1783 H33 GLY A 1 2.208 -8.698 4.954 1.00 0.21 H HETATM 1784 H31 GLY A 1 4.428 -10.468 5.164 1.00 0.06 H HETATM 1785 H32 GLY A 1 2.773 -10.910 4.626 1.00 0.06 H HETATM 1786 H30 GLY A 1 2.975 -9.343 2.726 1.00 0.08 H HETATM 1787 H29 GLY A 1 3.790 -11.218 1.721 1.00 0.19 H HETATM 1788 CB GLY A 1 6.740 -12.697 0.995 1.00 0.04 C HETATM 1789 CG GLY A 1 7.132 -14.010 0.345 1.00 0.04 C HETATM 1790 OD1 GLY A 1 7.737 -14.860 1.028 1.00 -0.57 O HETATM 1791 OD2 GLY A 1 6.823 -14.200 -0.852 1.00 -0.57 O HETATM 1792 H27 GLY A 1 7.631 -12.258 1.467 1.00 0.05 H HETATM 1793 H28 GLY A 1 6.364 -12.017 0.216 1.00 0.05 H HETATM 1794 H26 GLY A 1 5.993 -13.633 2.775 1.00 0.08 H HETATM 1795 H25 GLY A 1 4.261 -13.209 0.481 1.00 0.19 H HETATM 1796 CB GLY A 1 1.274 -13.029 1.289 1.00 -0.00 C HETATM 1797 CG GLY A 1 0.878 -12.318 2.578 1.00 0.00 C HETATM 1798 CD GLY A 1 -0.487 -12.728 3.083 1.00 0.04 C HETATM 1799 OE1 GLY A 1 -1.451 -12.694 2.291 1.00 -0.57 O HETATM 1800 OE2 GLY A 1 -0.606 -13.077 4.278 1.00 -0.57 O HETATM 1801 H23 GLY A 1 0.872 -11.234 2.393 1.00 0.04 H HETATM 1802 H24 GLY A 1 1.623 -12.554 3.352 1.00 0.04 H HETATM 1803 H21 GLY A 1 0.354 -13.353 0.780 1.00 0.03 H HETATM 1804 H22 GLY A 1 1.811 -12.310 0.653 1.00 0.03 H HETATM 1805 H20 GLY A 1 2.424 -14.665 0.495 1.00 0.08 H HETATM 1806 H19 GLY A 1 1.532 -15.222 3.254 1.00 0.19 H HETATM 1807 CB GLY A 1 -1.134 -17.503 2.644 1.00 0.00 C HETATM 1808 CG GLY A 1 -1.646 -18.691 3.432 1.00 0.04 C HETATM 1809 CD GLY A 1 -1.086 -20.015 2.941 1.00 0.17 C HETATM 1810 OE1 GLY A 1 -1.669 -20.670 2.077 1.00 -0.40 O HETATM 1811 NE2 GLY A 1 0.052 -20.417 3.488 1.00 -0.30 N HETATM 1812 H17 GLY A 1 0.466 -21.281 3.202 1.00 0.18 H HETATM 1813 H18 GLY A 1 0.497 -19.856 4.186 1.00 0.18 H HETATM 1814 H15 GLY A 1 -2.742 -18.721 3.348 1.00 0.05 H HETATM 1815 H16 GLY A 1 -1.363 -18.560 4.487 1.00 0.05 H HETATM 1816 H13 GLY A 1 -1.464 -17.609 1.600 1.00 0.03 H HETATM 1817 H14 GLY A 1 -1.565 -16.587 3.074 1.00 0.03 H HETATM 1818 H12 GLY A 1 0.819 -18.333 2.332 1.00 0.08 H HETATM 1819 H11 GLY A 1 0.309 -16.553 4.626 1.00 0.19 H HETATM 1820 CB GLY A 1 4.050 -16.753 5.774 1.00 0.08 C HETATM 1821 OG GLY A 1 4.750 -17.949 6.085 1.00 -0.39 O HETATM 1822 H10 GLY A 1 4.544 -18.613 5.437 1.00 0.21 H HETATM 1823 H8 GLY A 1 4.294 -15.987 6.525 1.00 0.06 H HETATM 1824 H9 GLY A 1 4.360 -16.402 4.778 1.00 0.06 H HETATM 1825 H7 GLY A 1 2.033 -16.033 5.962 1.00 0.08 H HETATM 1826 H6 GLY A 1 2.930 -18.423 7.296 1.00 0.19 H HETATM 1827 H4 GLY A 1 1.149 -19.984 8.205 1.00 0.11 H HETATM 1828 H5 GLY A 1 1.326 -18.582 9.314 1.00 0.11 H HETATM 1829 H1 GLY A 1 -0.747 -19.723 9.634 1.00 0.20 H HETATM 1830 H2 GLY A 1 -1.186 -19.483 8.066 1.00 0.20 H HETATM 1831 H3 GLY A 1 -1.024 -18.198 9.082 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1554 1555 1829 1830 1831 CONECT 1555 1554 1556 1827 1828 CONECT 1556 1555 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1826 CONECT 1559 1558 1560 1820 1825 CONECT 1560 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 1563 1819 CONECT 1563 1562 1564 1807 1818 CONECT 1564 1563 1565 1566 CONECT 1565 1564 CONECT 1566 1564 1567 1806 CONECT 1567 1566 1568 1796 1805 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 1571 1795 CONECT 1571 1570 1572 1788 1794 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 1575 1787 CONECT 1575 1574 1576 1781 1786 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 1579 1780 CONECT 1579 1578 1580 1773 1779 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 1583 1772 CONECT 1583 1582 1584 1766 1771 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 1587 1765 CONECT 1587 1586 1588 1755 1764 CONECT 1588 1587 1589 1590 CONECT 1589 1588 CONECT 1590 1588 1591 1754 CONECT 1591 1590 1592 1740 1753 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 1595 1739 CONECT 1595 1594 1596 1729 1738 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 1599 1728 CONECT 1599 1598 1600 1716 1727 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 1715 CONECT 1603 1602 1604 1699 1714 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 1607 1698 CONECT 1607 1606 1608 1683 1697 CONECT 1608 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 1611 1682 CONECT 1611 1610 1612 1673 1681 CONECT 1612 1611 1613 1614 CONECT 1613 1612 CONECT 1614 1612 1615 1672 CONECT 1615 1614 1616 1667 1671 CONECT 1616 1615 1617 1618 CONECT 1617 1616 CONECT 1618 1616 1619 1666 CONECT 1619 1618 1620 1647 1665 CONECT 1620 1619 1621 1622 CONECT 1621 1620 CONECT 1622 1620 1623 1646 CONECT 1623 1622 1624 1627 1645 CONECT 1624 1623 1625 1626 CONECT 1625 1624 CONECT 1626 1624 CONECT 1627 1623 1628 1643 1644 CONECT 1628 1627 1629 1632 CONECT 1629 1628 1630 1642 CONECT 1630 1629 1631 1641 CONECT 1631 1630 1632 1636 CONECT 1632 1628 1631 1633 CONECT 1633 1632 1634 1640 CONECT 1634 1633 1635 1639 CONECT 1635 1634 1636 1638 CONECT 1636 1631 1635 1637 CONECT 1637 1636 CONECT 1638 1635 CONECT 1639 1634 CONECT 1640 1633 CONECT 1641 1630 CONECT 1642 1629 CONECT 1643 1627 CONECT 1644 1627 CONECT 1645 1623 CONECT 1646 1622 CONECT 1647 1619 1648 1663 1664 CONECT 1648 1647 1649 1661 1662 CONECT 1649 1648 1650 1659 1660 CONECT 1650 1649 1651 1658 CONECT 1651 1650 1652 1655 CONECT 1652 1651 1653 1654 CONECT 1653 1652 CONECT 1654 1652 CONECT 1655 1651 1656 1657 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1650 CONECT 1659 1649 CONECT 1660 1649 CONECT 1661 1648 CONECT 1662 1648 CONECT 1663 1647 CONECT 1664 1647 CONECT 1665 1619 CONECT 1666 1618 CONECT 1667 1615 1668 1669 1670 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1667 CONECT 1671 1615 CONECT 1672 1614 CONECT 1673 1611 1674 1676 1680 CONECT 1674 1673 1675 CONECT 1675 1674 CONECT 1676 1673 1677 1678 1679 CONECT 1677 1676 CONECT 1678 1676 CONECT 1679 1676 CONECT 1680 1673 CONECT 1681 1611 CONECT 1682 1610 CONECT 1683 1607 1684 1695 1696 CONECT 1684 1683 1685 1689 CONECT 1685 1684 1686 1694 CONECT 1686 1685 1687 1693 CONECT 1687 1686 1688 1692 CONECT 1688 1687 1689 1691 CONECT 1689 1684 1688 1690 CONECT 1690 1689 CONECT 1691 1688 CONECT 1692 1687 CONECT 1693 1686 CONECT 1694 1685 CONECT 1695 1683 CONECT 1696 1683 CONECT 1697 1607 CONECT 1698 1606 CONECT 1699 1603 1700 1712 1713 CONECT 1700 1699 1701 1705 CONECT 1701 1700 1702 1711 CONECT 1702 1701 1703 1710 CONECT 1703 1702 1704 1708 CONECT 1704 1703 1705 1707 CONECT 1705 1700 1704 1706 CONECT 1706 1705 CONECT 1707 1704 CONECT 1708 1703 1709 CONECT 1709 1708 CONECT 1710 1702 CONECT 1711 1701 CONECT 1712 1699 CONECT 1713 1699 CONECT 1714 1603 CONECT 1715 1602 CONECT 1716 1599 1717 1725 1726 CONECT 1717 1716 1718 1723 1724 CONECT 1718 1717 1719 1720 CONECT 1719 1718 CONECT 1720 1718 1721 1722 CONECT 1721 1720 CONECT 1722 1720 CONECT 1723 1717 CONECT 1724 1717 CONECT 1725 1716 CONECT 1726 1716 CONECT 1727 1599 CONECT 1728 1598 CONECT 1729 1595 1730 1736 1737 CONECT 1730 1729 1731 1734 1735 CONECT 1731 1730 1732 1733 CONECT 1732 1731 CONECT 1733 1731 CONECT 1734 1730 CONECT 1735 1730 CONECT 1736 1729 CONECT 1737 1729 CONECT 1738 1595 CONECT 1739 1594 CONECT 1740 1591 1741 1751 1752 CONECT 1741 1740 1742 1746 1750 CONECT 1742 1741 1743 1744 1745 CONECT 1743 1742 CONECT 1744 1742 CONECT 1745 1742 CONECT 1746 1741 1747 1748 1749 CONECT 1747 1746 CONECT 1748 1746 CONECT 1749 1746 CONECT 1750 1741 CONECT 1751 1740 CONECT 1752 1740 CONECT 1753 1591 CONECT 1754 1590 CONECT 1755 1587 1756 1762 1763 CONECT 1756 1755 1757 1760 1761 CONECT 1757 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1756 CONECT 1761 1756 CONECT 1762 1755 CONECT 1763 1755 CONECT 1764 1587 CONECT 1765 1586 CONECT 1766 1583 1767 1769 1770 CONECT 1767 1766 1768 CONECT 1768 1767 CONECT 1769 1766 CONECT 1770 1766 CONECT 1771 1583 CONECT 1772 1582 CONECT 1773 1579 1774 1777 1778 CONECT 1774 1773 1775 1776 CONECT 1775 1774 CONECT 1776 1774 CONECT 1777 1773 CONECT 1778 1773 CONECT 1779 1579 CONECT 1780 1578 CONECT 1781 1575 1782 1784 1785 CONECT 1782 1781 1783 CONECT 1783 1782 CONECT 1784 1781 CONECT 1785 1781 CONECT 1786 1575 CONECT 1787 1574 CONECT 1788 1571 1789 1792 1793 CONECT 1789 1788 1790 1791 CONECT 1790 1789 CONECT 1791 1789 CONECT 1792 1788 CONECT 1793 1788 CONECT 1794 1571 CONECT 1795 1570 CONECT 1796 1567 1797 1803 1804 CONECT 1797 1796 1798 1801 1802 CONECT 1798 1797 1799 1800 CONECT 1799 1798 CONECT 1800 1798 CONECT 1801 1797 CONECT 1802 1797 CONECT 1803 1796 CONECT 1804 1796 CONECT 1805 1567 CONECT 1806 1566 CONECT 1807 1563 1808 1816 1817 CONECT 1808 1807 1809 1814 1815 CONECT 1809 1808 1810 1811 CONECT 1810 1809 CONECT 1811 1809 1812 1813 CONECT 1812 1811 CONECT 1813 1811 CONECT 1814 1808 CONECT 1815 1808 CONECT 1816 1807 CONECT 1817 1807 CONECT 1818 1563 CONECT 1819 1562 CONECT 1820 1559 1821 1823 1824 CONECT 1821 1820 1822 CONECT 1822 1821 CONECT 1823 1820 CONECT 1824 1820 CONECT 1825 1559 CONECT 1826 1558 CONECT 1827 1555 CONECT 1828 1555 CONECT 1829 1554 CONECT 1830 1554 CONECT 1831 1554 MASTER 0 0 0 0 0 0 0 0 1830 1 282 8 END
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Entry Information
PDB ID
2kzu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DAXX N-Terminal Helical Bundle Domain (55-144)
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=60uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Structure Vol. 18: pp. 1642-1653
Ligand Properties
Formula
C
9
2
H
1
3
2
N
2
4
O
3
6
Molecular Weight
2150.170
Exact Mass
2148.920
No. of atoms
284
No. of bonds
287
Polar Surface Area
1015.27
LOGP Value
-2.21 (
Computed with XLOGP3
)
-5.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 26
No. of Hydrogen Bond Acceptors: 36
No. of Rotatable Bonds: 86
No. of Nitrogen and Oxygen Atoms: 60
No. of Rings: 4
Canonical SMILES
[NH3+]CC(=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)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)Cc1c[nH]c2c1cccc2)CCC[NH+]=C(N)N)C)[C@H](O)C)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)N)CCC(=O)O)CC(C)C)CCC(=O)O)CO)CC(=O)O)CO)CC(=O)O)CCC(=O)O)CCC(=O)N)CO
InChI String
InChI=1S/C92H130N24O36/c1-42(2)31-57(108-80(140)56(24-29-71(129)130)107-88(148)64(40-118)114-85(145)61(36-73(133)134)112-89(149)65(41-119)115-84(144)60(35-72(131)132)111-81(141)55(23-28-70(127)128)104-77(137)52(20-25-66(94)122)106-87(147)63(39-117)101-68(124)37-93)82(142)105-54(22-27-69(125)126)78(138)103-53(21-26-67(95)123)79(139)109-58(33-46-16-18-48(121)19-17-46)83(143)110-59(32-45-11-6-5-7-12-45)86(146)116-74(44(4)120)90(150)100-43(3)75(135)102-51(15-10-30-98-92(96)97)76(136)113-62(91(151)152)34-47-38-99-50-14-9-8-13-49(47)50/h5-9,11-14,16-19,38,42-44,51-65,74,99,117-121H,10,15,20-37,39-41,93H2,1-4H3,(H2,94,122)(H2,95,123)(H,100,150)(H,101,124)(H,102,135)(H,103,138)(H,104,137)(H,105,142)(H,106,147)(H,107,148)(H,108,140)(H,109,139)(H,110,143)(H,111,141)(H,112,149)(H,113,136)(H,114,145)(H,115,144)(H,116,146)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,151,152)(H4,96,97,98)/p+2/t43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,74-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q9NS23
Q9UER7
Entrez Gene ID
NCBI Entrez Gene ID:
11186
1616
ASD
Information of known allosteric effects of PDB entries
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