Browse entries in the PDBbind-CN Database
HEADER 3DS0_COMPLEX COMPND 3DS0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 82 PRO THR SER ILE LEU ASP ILE ARG GLN GLY PRO LYS GLU SEQRES 2 A 82 PRO PHE ARG ASP TYR VAL ASP ARG PHE TYR LYS THR LEU SEQRES 3 A 82 ARG ALA GLU GLN ALA SER GLN GLU VAL LYS ALA TRP MET SEQRES 4 A 82 THR GLU THR LEU LEU VAL GLN ASN ALA ASN PRO ASP CYS SEQRES 5 A 82 LYS THR ILE LEU LYS ALA LEU GLY PRO GLY ALA THR LEU SEQRES 6 A 82 GLU GLU MET MET THR ALA CYS GLN GLY VAL GLY GLY PRO SEQRES 7 A 82 GLY HIS LYS ALA HET ILE A 161 196 ATOM 1 N PRO A 147 -18.010 21.650 -7.928 1.00 40.74 N ATOM 2 CA PRO A 147 -18.250 20.919 -9.175 1.00 39.95 C ATOM 3 C PRO A 147 -17.165 19.870 -9.439 1.00 39.27 C ATOM 4 O PRO A 147 -15.988 20.209 -9.620 1.00 39.69 O ATOM 5 CB PRO A 147 -18.214 22.027 -10.242 1.00 40.40 C ATOM 6 CG PRO A 147 -17.442 23.159 -9.598 1.00 40.64 C ATOM 7 CD PRO A 147 -17.848 23.097 -8.158 1.00 40.83 C ATOM 8 HA PRO A 147 -19.186 20.360 -9.160 1.00 0.00 H ATOM 9 HD3 PRO A 147 -17.074 23.513 -7.513 1.00 0.00 H ATOM 10 HD2 PRO A 147 -18.784 23.629 -7.990 1.00 0.00 H ATOM 11 HG3 PRO A 147 -17.718 24.117 -10.038 1.00 0.00 H ATOM 12 HG2 PRO A 147 -16.368 23.007 -9.706 1.00 0.00 H ATOM 13 HB2 PRO A 147 -17.706 21.678 -11.141 1.00 0.00 H ATOM 14 HB3 PRO A 147 -19.224 22.347 -10.498 1.00 0.00 H ATOM 15 N THR A 148 -17.558 18.603 -9.459 1.00 37.52 N ATOM 16 CA THR A 148 -16.584 17.545 -9.644 1.00 35.30 C ATOM 17 C THR A 148 -16.343 17.292 -11.140 1.00 32.80 C ATOM 18 O THR A 148 -17.034 17.840 -12.014 1.00 33.17 O ATOM 19 CB THR A 148 -16.961 16.266 -8.849 1.00 35.71 C ATOM 20 OG1 THR A 148 -17.283 16.630 -7.502 1.00 37.41 O ATOM 21 CG2 THR A 148 -15.801 15.263 -8.804 1.00 35.45 C ATOM 22 HA THR A 148 -15.632 17.870 -9.224 1.00 0.00 H ATOM 23 HB THR A 148 -17.809 15.801 -9.351 1.00 0.00 H ATOM 24 HG1 THR A 148 -17.524 15.817 -6.991 1.00 0.00 H ATOM 25 HG23 THR A 148 -15.536 14.970 -9.820 1.00 0.00 H ATOM 26 HG21 THR A 148 -14.940 15.727 -8.322 1.00 0.00 H ATOM 27 HG22 THR A 148 -16.105 14.383 -8.238 1.00 0.00 H ATOM 28 H THR A 148 -18.564 18.369 -9.342 1.00 0.00 H ATOM 29 N SER A 149 -15.316 16.507 -11.413 1.00 29.11 N ATOM 30 CA SER A 149 -14.973 16.098 -12.760 1.00 25.23 C ATOM 31 C SER A 149 -14.836 14.599 -12.726 1.00 22.97 C ATOM 32 O SER A 149 -14.341 14.039 -11.753 1.00 22.05 O ATOM 33 CB SER A 149 -13.631 16.705 -13.169 1.00 25.14 C ATOM 34 OG SER A 149 -13.152 16.136 -14.377 1.00 23.21 O ATOM 35 HA SER A 149 -15.732 16.426 -13.470 1.00 0.00 H ATOM 36 HB2 SER A 149 -12.903 16.523 -12.378 1.00 0.00 H ATOM 37 HB3 SER A 149 -13.755 17.779 -13.307 1.00 0.00 H ATOM 38 HG SER A 149 -13.806 16.302 -15.101 1.00 0.00 H ATOM 39 H SER A 149 -14.727 16.167 -10.626 1.00 0.00 H ATOM 40 N ILE A 150 -15.256 13.942 -13.801 1.00 20.45 N ATOM 41 CA ILE A 150 -15.009 12.513 -13.926 1.00 19.55 C ATOM 42 C ILE A 150 -13.520 12.167 -13.748 1.00 19.24 C ATOM 43 O ILE A 150 -13.176 11.086 -13.282 1.00 19.10 O ATOM 44 CB ILE A 150 -15.591 11.968 -15.249 1.00 19.45 C ATOM 45 CG1 ILE A 150 -15.602 10.435 -15.259 1.00 18.08 C ATOM 46 CG2 ILE A 150 -14.829 12.513 -16.450 1.00 18.26 C ATOM 47 CD1 ILE A 150 -16.431 9.807 -14.124 1.00 18.24 C ATOM 48 HA ILE A 150 -15.532 12.011 -13.112 1.00 0.00 H ATOM 49 HB ILE A 150 -16.623 12.311 -15.322 1.00 0.00 H ATOM 50 HG12 ILE A 150 -16.015 10.101 -16.211 1.00 0.00 H ATOM 51 HG13 ILE A 150 -14.574 10.084 -15.168 1.00 0.00 H ATOM 52 HD11 ILE A 150 -16.024 10.120 -13.162 1.00 0.00 H ATOM 53 HD12 ILE A 150 -17.466 10.137 -14.207 1.00 0.00 H ATOM 54 HD13 ILE A 150 -16.387 8.721 -14.202 1.00 0.00 H ATOM 55 HG21 ILE A 150 -14.899 13.601 -16.460 1.00 0.00 H ATOM 56 HG22 ILE A 150 -13.783 12.216 -16.380 1.00 0.00 H ATOM 57 HG23 ILE A 150 -15.262 12.111 -17.366 1.00 0.00 H ATOM 58 H ILE A 150 -15.762 14.449 -14.555 1.00 0.00 H ATOM 59 N LEU A 151 -12.634 13.100 -14.080 1.00 19.50 N ATOM 60 CA LEU A 151 -11.206 12.856 -13.957 1.00 20.84 C ATOM 61 C LEU A 151 -10.781 12.711 -12.496 1.00 21.83 C ATOM 62 O LEU A 151 -9.720 12.157 -12.212 1.00 23.32 O ATOM 63 CB LEU A 151 -10.436 13.998 -14.617 1.00 20.69 C ATOM 64 CG LEU A 151 -10.709 14.202 -16.112 1.00 22.32 C ATOM 65 CD1 LEU A 151 -9.837 15.330 -16.602 1.00 23.89 C ATOM 66 CD2 LEU A 151 -10.426 12.948 -16.920 1.00 23.05 C ATOM 67 HA LEU A 151 -10.977 11.916 -14.460 1.00 0.00 H ATOM 68 HB2 LEU A 151 -10.695 14.921 -14.099 1.00 0.00 H ATOM 69 HB3 LEU A 151 -9.371 13.800 -14.494 1.00 0.00 H ATOM 70 HG LEU A 151 -11.765 14.438 -16.244 1.00 0.00 H ATOM 71 HD21 LEU A 151 -9.379 12.669 -16.800 1.00 0.00 H ATOM 72 HD22 LEU A 151 -11.063 12.137 -16.565 1.00 0.00 H ATOM 73 HD23 LEU A 151 -10.634 13.141 -17.972 1.00 0.00 H ATOM 74 HD11 LEU A 151 -10.077 16.239 -16.050 1.00 0.00 H ATOM 75 HD12 LEU A 151 -8.790 15.073 -16.444 1.00 0.00 H ATOM 76 HD13 LEU A 151 -10.017 15.491 -17.665 1.00 0.00 H ATOM 77 H LEU A 151 -12.967 14.020 -14.433 1.00 0.00 H ATOM 78 N ASP A 152 -11.624 13.200 -11.587 1.00 22.41 N ATOM 79 CA ASP A 152 -11.315 13.223 -10.154 1.00 23.63 C ATOM 80 C ASP A 152 -11.701 11.917 -9.464 1.00 22.60 C ATOM 81 O ASP A 152 -11.375 11.725 -8.290 1.00 23.26 O ATOM 82 CB ASP A 152 -12.028 14.402 -9.468 1.00 25.06 C ATOM 83 CG ASP A 152 -11.595 15.771 -10.017 1.00 29.40 C ATOM 84 OD1 ASP A 152 -10.426 15.920 -10.440 1.00 34.24 O ATOM 85 OD2 ASP A 152 -12.435 16.700 -10.014 1.00 33.18 O ATOM 86 HA ASP A 152 -10.236 13.345 -10.061 1.00 0.00 H ATOM 87 HB2 ASP A 152 -13.102 14.292 -9.617 1.00 0.00 H ATOM 88 HB3 ASP A 152 -11.805 14.369 -8.402 1.00 0.00 H ATOM 89 H ASP A 152 -12.538 13.580 -11.907 1.00 0.00 H ATOM 90 N ILE A 153 -12.402 11.030 -10.179 1.00 20.68 N ATOM 91 CA ILE A 153 -12.951 9.817 -9.555 1.00 19.81 C ATOM 92 C ILE A 153 -11.948 8.681 -9.658 1.00 19.61 C ATOM 93 O ILE A 153 -11.645 8.193 -10.754 1.00 20.34 O ATOM 94 CB ILE A 153 -14.306 9.390 -10.191 1.00 19.17 C ATOM 95 CG1 ILE A 153 -15.314 10.547 -10.161 1.00 20.69 C ATOM 96 CG2 ILE A 153 -14.867 8.122 -9.483 1.00 19.56 C ATOM 97 CD1 ILE A 153 -15.585 11.110 -8.778 1.00 21.47 C ATOM 98 HA ILE A 153 -13.141 10.047 -8.507 1.00 0.00 H ATOM 99 HB ILE A 153 -14.132 9.137 -11.237 1.00 0.00 H ATOM 100 HG12 ILE A 153 -14.928 11.352 -10.787 1.00 0.00 H ATOM 101 HG13 ILE A 153 -16.257 10.188 -10.574 1.00 0.00 H ATOM 102 HD11 ILE A 153 -15.986 10.323 -8.139 1.00 0.00 H ATOM 103 HD12 ILE A 153 -14.655 11.488 -8.352 1.00 0.00 H ATOM 104 HD13 ILE A 153 -16.308 11.922 -8.853 1.00 0.00 H ATOM 105 HG21 ILE A 153 -14.154 7.304 -9.587 1.00 0.00 H ATOM 106 HG22 ILE A 153 -15.024 8.337 -8.426 1.00 0.00 H ATOM 107 HG23 ILE A 153 -15.814 7.840 -9.942 1.00 0.00 H ATOM 108 H ILE A 153 -12.561 11.201 -11.192 1.00 0.00 H ATOM 109 N ARG A 154 -11.410 8.269 -8.511 1.00 18.70 N ATOM 110 CA ARG A 154 -10.455 7.166 -8.492 1.00 19.39 C ATOM 111 C ARG A 154 -10.852 6.212 -7.384 1.00 17.95 C ATOM 112 O ARG A 154 -11.357 6.628 -6.333 1.00 18.66 O ATOM 113 CB ARG A 154 -9.031 7.674 -8.219 1.00 19.43 C ATOM 114 CG ARG A 154 -8.448 8.588 -9.304 1.00 22.12 C ATOM 115 CD ARG A 154 -6.997 8.939 -8.978 1.00 23.78 C ATOM 116 NE ARG A 154 -6.233 7.716 -8.750 1.00 28.28 N ATOM 117 CZ ARG A 154 -5.640 7.004 -9.707 1.00 29.28 C ATOM 118 NH1 ARG A 154 -5.666 7.411 -10.971 1.00 33.00 N ATOM 119 NH2 ARG A 154 -5.006 5.889 -9.395 1.00 33.62 N ATOM 120 HA ARG A 154 -10.466 6.671 -9.463 1.00 0.00 H ATOM 121 HB2 ARG A 154 -9.044 8.229 -7.281 1.00 0.00 H ATOM 122 HB3 ARG A 154 -8.377 6.808 -8.119 1.00 0.00 H ATOM 123 HG2 ARG A 154 -8.487 8.076 -10.265 1.00 0.00 H ATOM 124 HG3 ARG A 154 -9.037 9.504 -9.358 1.00 0.00 H ATOM 125 HD2 ARG A 154 -6.967 9.558 -8.081 1.00 0.00 H ATOM 126 HD3 ARG A 154 -6.561 9.489 -9.812 1.00 0.00 H ATOM 127 HE ARG A 154 -6.146 7.377 -7.771 1.00 0.00 H ATOM 128 HH12 ARG A 154 -5.199 6.846 -11.709 1.00 0.00 H ATOM 129 HH11 ARG A 154 -6.153 8.295 -11.223 1.00 0.00 H ATOM 130 HH22 ARG A 154 -4.541 5.330 -10.138 1.00 0.00 H ATOM 131 HH21 ARG A 154 -4.971 5.570 -8.406 1.00 0.00 H ATOM 132 H ARG A 154 -11.673 8.738 -7.621 1.00 0.00 H ATOM 133 N GLN A 155 -10.640 4.933 -7.628 1.00 16.58 N ATOM 134 CA GLN A 155 -10.983 3.918 -6.625 1.00 16.45 C ATOM 135 C GLN A 155 -10.090 4.074 -5.407 1.00 17.54 C ATOM 136 O GLN A 155 -8.879 4.229 -5.554 1.00 18.04 O ATOM 137 CB GLN A 155 -10.797 2.526 -7.215 1.00 16.23 C ATOM 138 CG GLN A 155 -11.351 1.391 -6.335 1.00 15.98 C ATOM 139 CD GLN A 155 -11.206 0.030 -7.005 1.00 15.99 C ATOM 140 OE1 GLN A 155 -10.546 -0.109 -8.042 1.00 15.69 O ATOM 141 NE2 GLN A 155 -11.808 -0.982 -6.405 1.00 16.84 N ATOM 142 HA GLN A 155 -12.024 4.050 -6.329 1.00 0.00 H ATOM 143 HB2 GLN A 155 -11.305 2.492 -8.179 1.00 0.00 H ATOM 144 HB3 GLN A 155 -9.730 2.356 -7.362 1.00 0.00 H ATOM 145 HG2 GLN A 155 -10.807 1.379 -5.391 1.00 0.00 H ATOM 146 HG3 GLN A 155 -12.407 1.578 -6.142 1.00 0.00 H ATOM 147 HE22 GLN A 155 -12.353 -0.820 -5.534 1.00 0.00 H ATOM 148 HE21 GLN A 155 -11.737 -1.940 -6.804 1.00 0.00 H ATOM 149 H GLN A 155 -10.227 4.642 -8.537 1.00 0.00 H ATOM 150 N GLY A 156 -10.697 4.024 -4.220 1.00 18.12 N ATOM 151 CA GLY A 156 -9.948 4.056 -2.956 1.00 19.23 C ATOM 152 C GLY A 156 -9.058 2.824 -2.815 1.00 19.69 C ATOM 153 O GLY A 156 -9.314 1.782 -3.431 1.00 18.61 O ATOM 154 HA3 GLY A 156 -10.652 4.084 -2.125 1.00 0.00 H ATOM 155 HA2 GLY A 156 -9.325 4.950 -2.933 1.00 0.00 H ATOM 156 H GLY A 156 -11.735 3.960 -4.188 1.00 0.00 H ATOM 157 N PRO A 157 -8.009 2.919 -1.984 1.00 21.30 N ATOM 158 CA PRO A 157 -7.053 1.827 -1.866 1.00 21.88 C ATOM 159 C PRO A 157 -7.703 0.498 -1.458 1.00 21.75 C ATOM 160 O PRO A 157 -7.248 -0.573 -1.880 1.00 21.45 O ATOM 161 CB PRO A 157 -6.113 2.308 -0.748 1.00 22.89 C ATOM 162 CG PRO A 157 -6.886 3.395 -0.021 1.00 23.70 C ATOM 163 CD PRO A 157 -7.692 4.045 -1.080 1.00 21.88 C ATOM 164 HA PRO A 157 -6.564 1.622 -2.818 1.00 0.00 H ATOM 165 HD3 PRO A 157 -8.600 4.487 -0.668 1.00 0.00 H ATOM 166 HD2 PRO A 157 -7.117 4.814 -1.596 1.00 0.00 H ATOM 167 HG3 PRO A 157 -6.205 4.111 0.440 1.00 0.00 H ATOM 168 HG2 PRO A 157 -7.531 2.964 0.745 1.00 0.00 H ATOM 169 HB2 PRO A 157 -5.874 1.489 -0.070 1.00 0.00 H ATOM 170 HB3 PRO A 157 -5.191 2.710 -1.169 1.00 0.00 H ATOM 171 N LYS A 158 -8.759 0.574 -0.655 1.00 21.08 N ATOM 172 CA LYS A 158 -9.468 -0.614 -0.221 1.00 21.45 C ATOM 173 C LYS A 158 -10.951 -0.579 -0.604 1.00 20.49 C ATOM 174 O LYS A 158 -11.740 -1.400 -0.142 1.00 20.27 O ATOM 175 CB LYS A 158 -9.311 -0.811 1.293 1.00 22.76 C ATOM 176 CG LYS A 158 -7.871 -0.991 1.766 1.00 25.56 C ATOM 177 CD LYS A 158 -7.819 -1.073 3.279 1.00 30.41 C ATOM 178 CE LYS A 158 -8.213 -2.462 3.791 1.00 33.52 C ATOM 179 NZ LYS A 158 -7.455 -3.564 3.136 1.00 35.88 N ATOM 180 HA LYS A 158 -9.021 -1.462 -0.740 1.00 0.00 H ATOM 181 HB2 LYS A 158 -9.727 0.063 1.794 1.00 0.00 H ATOM 182 HB3 LYS A 158 -9.877 -1.697 1.581 1.00 0.00 H ATOM 183 HG2 LYS A 158 -7.465 -1.910 1.342 1.00 0.00 H ATOM 184 HG3 LYS A 158 -7.274 -0.143 1.431 1.00 0.00 H ATOM 185 HD2 LYS A 158 -6.804 -0.850 3.609 1.00 0.00 H ATOM 186 HD3 LYS A 158 -8.505 -0.336 3.696 1.00 0.00 H ATOM 187 HE2 LYS A 158 -9.276 -2.612 3.603 1.00 0.00 H ATOM 188 HE3 LYS A 158 -8.026 -2.502 4.864 1.00 0.00 H ATOM 189 HZ1 LYS A 158 -7.632 -3.544 2.111 1.00 0.00 H ATOM 190 HZ2 LYS A 158 -6.438 -3.438 3.316 1.00 0.00 H ATOM 191 HZ3 LYS A 158 -7.767 -4.477 3.525 1.00 0.00 H ATOM 192 H LYS A 158 -9.084 1.507 -0.330 1.00 0.00 H ATOM 193 N GLU A 159 -11.318 0.361 -1.471 1.00 18.65 N ATOM 194 CA GLU A 159 -12.708 0.549 -1.819 1.00 18.15 C ATOM 195 C GLU A 159 -13.192 -0.610 -2.684 1.00 17.82 C ATOM 196 O GLU A 159 -12.514 -0.975 -3.662 1.00 18.00 O ATOM 197 CB GLU A 159 -12.871 1.878 -2.562 1.00 17.84 C ATOM 198 CG GLU A 159 -14.321 2.149 -2.978 1.00 18.13 C ATOM 199 CD GLU A 159 -14.499 3.432 -3.775 1.00 18.24 C ATOM 200 OE1 GLU A 159 -13.519 3.902 -4.363 1.00 19.46 O ATOM 201 OE2 GLU A 159 -15.649 3.936 -3.855 1.00 20.22 O ATOM 202 HA GLU A 159 -13.310 0.574 -0.911 1.00 0.00 H ATOM 203 HB2 GLU A 159 -12.538 2.686 -1.910 1.00 0.00 H ATOM 204 HB3 GLU A 159 -12.249 1.856 -3.457 1.00 0.00 H ATOM 205 HG2 GLU A 159 -14.666 1.314 -3.588 1.00 0.00 H ATOM 206 HG3 GLU A 159 -14.931 2.216 -2.077 1.00 0.00 H ATOM 207 H GLU A 159 -10.594 0.969 -1.904 1.00 0.00 H ATOM 208 N PRO A 160 -14.353 -1.202 -2.343 1.00 18.09 N ATOM 209 CA PRO A 160 -14.908 -2.242 -3.205 1.00 18.09 C ATOM 210 C PRO A 160 -15.117 -1.712 -4.622 1.00 18.27 C ATOM 211 O PRO A 160 -15.559 -0.577 -4.806 1.00 17.10 O ATOM 212 CB PRO A 160 -16.248 -2.566 -2.541 1.00 19.53 C ATOM 213 CG PRO A 160 -16.071 -2.186 -1.122 1.00 19.17 C ATOM 214 CD PRO A 160 -15.204 -0.969 -1.161 1.00 18.34 C ATOM 215 HA PRO A 160 -14.259 -3.112 -3.304 1.00 0.00 H ATOM 216 HD3 PRO A 160 -15.802 -0.066 -1.281 1.00 0.00 H ATOM 217 HD2 PRO A 160 -14.603 -0.887 -0.256 1.00 0.00 H ATOM 218 HG3 PRO A 160 -15.584 -2.988 -0.567 1.00 0.00 H ATOM 219 HG2 PRO A 160 -17.033 -1.959 -0.662 1.00 0.00 H ATOM 220 HB2 PRO A 160 -17.052 -1.987 -2.996 1.00 0.00 H ATOM 221 HB3 PRO A 160 -16.473 -3.629 -2.629 1.00 0.00 H ATOM 222 N PHE A 161 -14.770 -2.519 -5.611 1.00 18.43 N ATOM 223 CA PHE A 161 -14.939 -2.114 -7.006 1.00 17.78 C ATOM 224 C PHE A 161 -16.387 -1.704 -7.272 1.00 17.71 C ATOM 225 O PHE A 161 -16.641 -0.716 -7.963 1.00 17.62 O ATOM 226 CB PHE A 161 -14.494 -3.246 -7.942 1.00 18.74 C ATOM 227 CG PHE A 161 -14.525 -2.876 -9.390 1.00 18.85 C ATOM 228 CD1 PHE A 161 -13.602 -1.980 -9.912 1.00 18.97 C ATOM 229 CD2 PHE A 161 -15.481 -3.437 -10.234 1.00 19.73 C ATOM 230 CE1 PHE A 161 -13.632 -1.637 -11.263 1.00 20.07 C ATOM 231 CE2 PHE A 161 -15.510 -3.102 -11.585 1.00 19.33 C ATOM 232 CZ PHE A 161 -14.593 -2.197 -12.094 1.00 19.65 C ATOM 233 HA PHE A 161 -14.309 -1.247 -7.204 1.00 0.00 H ATOM 234 HB2 PHE A 161 -13.474 -3.528 -7.680 1.00 0.00 H ATOM 235 HB3 PHE A 161 -15.156 -4.099 -7.790 1.00 0.00 H ATOM 236 HD2 PHE A 161 -16.210 -4.142 -9.834 1.00 0.00 H ATOM 237 HE2 PHE A 161 -16.254 -3.552 -12.242 1.00 0.00 H ATOM 238 HZ PHE A 161 -14.626 -1.924 -13.149 1.00 0.00 H ATOM 239 HE1 PHE A 161 -12.904 -0.932 -11.665 1.00 0.00 H ATOM 240 HD1 PHE A 161 -12.847 -1.541 -9.260 1.00 0.00 H ATOM 241 H PHE A 161 -14.371 -3.455 -5.393 1.00 0.00 H ATOM 242 N ARG A 162 -17.337 -2.439 -6.701 1.00 18.12 N ATOM 243 CA ARG A 162 -18.756 -2.118 -6.896 1.00 18.41 C ATOM 244 C ARG A 162 -19.100 -0.684 -6.456 1.00 17.90 C ATOM 245 O ARG A 162 -19.936 -0.037 -7.075 1.00 18.32 O ATOM 246 CB ARG A 162 -19.665 -3.161 -6.204 1.00 19.74 C ATOM 247 CG ARG A 162 -19.402 -3.347 -4.724 1.00 21.11 C ATOM 248 CD ARG A 162 -20.533 -2.793 -3.857 1.00 25.45 C ATOM 249 NE ARG A 162 -20.231 -2.963 -2.438 1.00 28.08 N ATOM 250 CZ ARG A 162 -20.382 -4.102 -1.771 1.00 29.76 C ATOM 251 NH1 ARG A 162 -20.856 -5.189 -2.388 1.00 31.27 N ATOM 252 NH2 ARG A 162 -20.071 -4.157 -0.484 1.00 30.94 N ATOM 253 HA ARG A 162 -18.949 -2.166 -7.968 1.00 0.00 H ATOM 254 HB2 ARG A 162 -20.701 -2.845 -6.328 1.00 0.00 H ATOM 255 HB3 ARG A 162 -19.518 -4.121 -6.699 1.00 0.00 H ATOM 256 HG2 ARG A 162 -19.293 -4.412 -4.519 1.00 0.00 H ATOM 257 HG3 ARG A 162 -18.477 -2.831 -4.465 1.00 0.00 H ATOM 258 HD2 ARG A 162 -21.456 -3.323 -4.092 1.00 0.00 H ATOM 259 HD3 ARG A 162 -20.660 -1.732 -4.071 1.00 0.00 H ATOM 260 HE ARG A 162 -19.874 -2.138 -1.915 1.00 0.00 H ATOM 261 HH12 ARG A 162 -20.972 -6.078 -1.860 1.00 0.00 H ATOM 262 HH11 ARG A 162 -21.109 -5.146 -3.396 1.00 0.00 H ATOM 263 HH22 ARG A 162 -20.188 -5.047 0.042 1.00 0.00 H ATOM 264 HH21 ARG A 162 -19.710 -3.310 0.000 1.00 0.00 H ATOM 265 H ARG A 162 -17.071 -3.252 -6.109 1.00 0.00 H ATOM 266 N ASP A 163 -18.451 -0.188 -5.401 1.00 17.57 N ATOM 267 CA ASP A 163 -18.712 1.158 -4.892 1.00 16.69 C ATOM 268 C ASP A 163 -18.103 2.200 -5.830 1.00 16.74 C ATOM 269 O ASP A 163 -18.675 3.269 -6.107 1.00 17.01 O ATOM 270 CB ASP A 163 -18.039 1.333 -3.542 1.00 17.79 C ATOM 271 CG ASP A 163 -18.815 0.751 -2.404 1.00 19.05 C ATOM 272 OD1 ASP A 163 -19.882 0.123 -2.619 1.00 19.85 O ATOM 273 OD2 ASP A 163 -18.312 0.969 -1.272 1.00 20.06 O ATOM 274 HA ASP A 163 -19.791 1.289 -4.815 1.00 0.00 H ATOM 275 HB2 ASP A 163 -17.064 0.848 -3.578 1.00 0.00 H ATOM 276 HB3 ASP A 163 -17.906 2.399 -3.359 1.00 0.00 H ATOM 277 H ASP A 163 -17.737 -0.777 -4.926 1.00 0.00 H ATOM 278 N TYR A 164 -16.913 1.893 -6.311 1.00 15.97 N ATOM 279 CA TYR A 164 -16.199 2.811 -7.186 1.00 15.27 C ATOM 280 C TYR A 164 -16.959 2.980 -8.502 1.00 14.75 C ATOM 281 O TYR A 164 -17.084 4.093 -9.001 1.00 14.84 O ATOM 282 CB TYR A 164 -14.788 2.277 -7.429 1.00 15.57 C ATOM 283 CG TYR A 164 -14.088 2.801 -8.671 1.00 14.79 C ATOM 284 CD1 TYR A 164 -13.787 4.169 -8.837 1.00 15.70 C ATOM 285 CD2 TYR A 164 -13.727 1.921 -9.680 1.00 13.42 C ATOM 286 CE1 TYR A 164 -13.110 4.627 -9.973 1.00 14.31 C ATOM 287 CE2 TYR A 164 -13.054 2.356 -10.808 1.00 14.38 C ATOM 288 CZ TYR A 164 -12.770 3.718 -10.965 1.00 13.80 C ATOM 289 OH TYR A 164 -12.094 4.122 -12.100 1.00 16.13 O ATOM 290 HA TYR A 164 -16.127 3.791 -6.714 1.00 0.00 H ATOM 291 HB3 TYR A 164 -14.850 1.192 -7.513 1.00 0.00 H ATOM 292 HB2 TYR A 164 -14.177 2.539 -6.565 1.00 0.00 H ATOM 293 HD2 TYR A 164 -13.979 0.865 -9.583 1.00 0.00 H ATOM 294 HE2 TYR A 164 -12.746 1.641 -11.571 1.00 0.00 H ATOM 295 HE1 TYR A 164 -12.854 5.681 -10.077 1.00 0.00 H ATOM 296 HD1 TYR A 164 -14.087 4.881 -8.068 1.00 0.00 H ATOM 297 HH TYR A 164 -12.622 3.878 -12.901 1.00 0.00 H ATOM 298 H TYR A 164 -16.479 0.982 -6.061 1.00 0.00 H ATOM 299 N VAL A 165 -17.443 1.882 -9.074 1.00 15.14 N ATOM 300 CA VAL A 165 -18.191 1.977 -10.339 1.00 15.23 C ATOM 301 C VAL A 165 -19.432 2.853 -10.176 1.00 15.65 C ATOM 302 O VAL A 165 -19.720 3.678 -11.048 1.00 15.56 O ATOM 303 CB VAL A 165 -18.568 0.587 -10.897 1.00 15.60 C ATOM 304 CG1 VAL A 165 -19.389 0.723 -12.186 1.00 16.74 C ATOM 305 CG2 VAL A 165 -17.312 -0.188 -11.166 1.00 16.07 C ATOM 306 HA VAL A 165 -17.530 2.448 -11.067 1.00 0.00 H ATOM 307 HB VAL A 165 -19.177 0.060 -10.163 1.00 0.00 H ATOM 308 HG11 VAL A 165 -20.303 1.278 -11.976 1.00 0.00 H ATOM 309 HG12 VAL A 165 -18.802 1.256 -12.934 1.00 0.00 H ATOM 310 HG13 VAL A 165 -19.643 -0.269 -12.560 1.00 0.00 H ATOM 311 HG21 VAL A 165 -16.704 0.349 -11.894 1.00 0.00 H ATOM 312 HG22 VAL A 165 -16.752 -0.303 -10.238 1.00 0.00 H ATOM 313 HG23 VAL A 165 -17.570 -1.171 -11.560 1.00 0.00 H ATOM 314 H VAL A 165 -17.293 0.955 -8.628 1.00 0.00 H ATOM 315 N ASP A 166 -20.140 2.693 -9.058 1.00 16.42 N ATOM 316 CA ASP A 166 -21.329 3.511 -8.768 1.00 17.56 C ATOM 317 C ASP A 166 -20.935 5.005 -8.701 1.00 16.53 C ATOM 318 O ASP A 166 -21.607 5.858 -9.286 1.00 16.48 O ATOM 319 CB ASP A 166 -21.956 3.023 -7.451 1.00 19.01 C ATOM 320 CG ASP A 166 -23.417 3.457 -7.281 1.00 25.59 C ATOM 321 OD1 ASP A 166 -23.674 4.671 -7.254 1.00 31.42 O ATOM 322 OD2 ASP A 166 -24.301 2.570 -7.142 1.00 31.51 O ATOM 323 HA ASP A 166 -22.069 3.406 -9.562 1.00 0.00 H ATOM 324 HB2 ASP A 166 -21.913 1.934 -7.429 1.00 0.00 H ATOM 325 HB3 ASP A 166 -21.376 3.425 -6.621 1.00 0.00 H ATOM 326 H ASP A 166 -19.844 1.970 -8.371 1.00 0.00 H ATOM 327 N ARG A 167 -19.830 5.326 -8.034 1.00 15.24 N ATOM 328 CA ARG A 167 -19.402 6.737 -7.935 1.00 14.61 C ATOM 329 C ARG A 167 -19.006 7.296 -9.313 1.00 14.60 C ATOM 330 O ARG A 167 -19.317 8.454 -9.663 1.00 14.83 O ATOM 331 CB ARG A 167 -18.232 6.889 -6.960 1.00 15.60 C ATOM 332 CG ARG A 167 -18.599 6.513 -5.526 1.00 16.33 C ATOM 333 CD ARG A 167 -17.573 7.097 -4.553 1.00 17.98 C ATOM 334 NE ARG A 167 -16.238 6.518 -4.734 1.00 19.05 N ATOM 335 CZ ARG A 167 -15.180 7.166 -5.205 1.00 18.82 C ATOM 336 NH1 ARG A 167 -15.273 8.445 -5.583 1.00 19.56 N ATOM 337 NH2 ARG A 167 -14.012 6.528 -5.297 1.00 18.95 N ATOM 338 HA ARG A 167 -20.251 7.308 -7.558 1.00 0.00 H ATOM 339 HB2 ARG A 167 -17.417 6.245 -7.291 1.00 0.00 H ATOM 340 HB3 ARG A 167 -17.901 7.927 -6.973 1.00 0.00 H ATOM 341 HG2 ARG A 167 -19.587 6.909 -5.290 1.00 0.00 H ATOM 342 HG3 ARG A 167 -18.612 5.427 -5.429 1.00 0.00 H ATOM 343 HD2 ARG A 167 -17.905 6.900 -3.534 1.00 0.00 H ATOM 344 HD3 ARG A 167 -17.512 8.174 -4.712 1.00 0.00 H ATOM 345 HE ARG A 167 -16.110 5.520 -4.472 1.00 0.00 H ATOM 346 HH12 ARG A 167 -14.436 8.941 -5.950 1.00 0.00 H ATOM 347 HH11 ARG A 167 -16.182 8.944 -5.510 1.00 0.00 H ATOM 348 HH22 ARG A 167 -13.176 7.025 -5.665 1.00 0.00 H ATOM 349 HH21 ARG A 167 -13.938 5.534 -5.001 1.00 0.00 H ATOM 350 H ARG A 167 -19.265 4.581 -7.580 1.00 0.00 H ATOM 351 N PHE A 168 -18.328 6.452 -10.089 1.00 13.87 N ATOM 352 CA PHE A 168 -17.905 6.805 -11.431 1.00 14.00 C ATOM 353 C PHE A 168 -19.142 7.127 -12.273 1.00 14.35 C ATOM 354 O PHE A 168 -19.204 8.179 -12.922 1.00 14.90 O ATOM 355 CB PHE A 168 -17.095 5.640 -12.031 1.00 14.05 C ATOM 356 CG PHE A 168 -16.505 5.940 -13.388 1.00 13.50 C ATOM 357 CD1 PHE A 168 -15.203 6.412 -13.506 1.00 14.94 C ATOM 358 CD2 PHE A 168 -17.261 5.749 -14.551 1.00 13.44 C ATOM 359 CE1 PHE A 168 -14.646 6.701 -14.776 1.00 16.72 C ATOM 360 CE2 PHE A 168 -16.715 6.028 -15.822 1.00 14.51 C ATOM 361 CZ PHE A 168 -15.416 6.492 -15.938 1.00 14.62 C ATOM 362 HA PHE A 168 -17.264 7.686 -11.415 1.00 0.00 H ATOM 363 HB2 PHE A 168 -16.280 5.400 -11.348 1.00 0.00 H ATOM 364 HB3 PHE A 168 -17.754 4.777 -12.126 1.00 0.00 H ATOM 365 HD2 PHE A 168 -18.284 5.380 -14.474 1.00 0.00 H ATOM 366 HE2 PHE A 168 -17.319 5.877 -16.717 1.00 0.00 H ATOM 367 HZ PHE A 168 -14.991 6.694 -16.921 1.00 0.00 H ATOM 368 HE1 PHE A 168 -13.628 7.083 -14.854 1.00 0.00 H ATOM 369 HD1 PHE A 168 -14.602 6.562 -12.609 1.00 0.00 H ATOM 370 H PHE A 168 -18.094 5.508 -9.720 1.00 0.00 H ATOM 371 N TYR A 169 -20.134 6.240 -12.218 1.00 14.87 N ATOM 372 CA TYR A 169 -21.369 6.415 -12.977 1.00 16.04 C ATOM 373 C TYR A 169 -22.085 7.703 -12.588 1.00 16.28 C ATOM 374 O TYR A 169 -22.459 8.495 -13.471 1.00 16.75 O ATOM 375 CB TYR A 169 -22.270 5.219 -12.737 1.00 17.60 C ATOM 376 CG TYR A 169 -23.701 5.388 -13.240 1.00 18.09 C ATOM 377 CD1 TYR A 169 -23.973 5.516 -14.600 1.00 19.40 C ATOM 378 CD2 TYR A 169 -24.774 5.414 -12.338 1.00 19.92 C ATOM 379 CE1 TYR A 169 -25.274 5.643 -15.061 1.00 21.95 C ATOM 380 CE2 TYR A 169 -26.073 5.538 -12.796 1.00 21.04 C ATOM 381 CZ TYR A 169 -26.309 5.656 -14.158 1.00 21.00 C ATOM 382 OH TYR A 169 -27.597 5.783 -14.641 1.00 23.59 O ATOM 383 HA TYR A 169 -21.122 6.487 -14.036 1.00 0.00 H ATOM 384 HB3 TYR A 169 -22.307 5.031 -11.664 1.00 0.00 H ATOM 385 HB2 TYR A 169 -21.832 4.357 -13.241 1.00 0.00 H ATOM 386 HD2 TYR A 169 -24.583 5.336 -11.268 1.00 0.00 H ATOM 387 HE2 TYR A 169 -26.905 5.543 -12.092 1.00 0.00 H ATOM 388 HE1 TYR A 169 -25.474 5.732 -16.129 1.00 0.00 H ATOM 389 HD1 TYR A 169 -23.149 5.516 -15.314 1.00 0.00 H ATOM 390 HH TYR A 169 -27.572 5.855 -15.628 1.00 0.00 H ATOM 391 H TYR A 169 -20.026 5.398 -11.617 1.00 0.00 H ATOM 392 N LYS A 170 -22.265 7.936 -11.287 1.00 16.99 N ATOM 393 CA LYS A 170 -22.986 9.141 -10.836 1.00 17.77 C ATOM 394 C LYS A 170 -22.285 10.414 -11.310 1.00 17.70 C ATOM 395 O LYS A 170 -22.937 11.357 -11.783 1.00 18.57 O ATOM 396 CB LYS A 170 -23.208 9.140 -9.327 1.00 19.05 C ATOM 397 CG LYS A 170 -24.217 8.102 -8.866 1.00 22.58 C ATOM 398 CD LYS A 170 -24.200 7.964 -7.339 1.00 28.63 C ATOM 399 CE LYS A 170 -25.543 7.503 -6.769 1.00 31.84 C ATOM 400 NZ LYS A 170 -26.042 6.224 -7.351 1.00 35.98 N ATOM 401 HA LYS A 170 -23.974 9.122 -11.296 1.00 0.00 H ATOM 402 HB2 LYS A 170 -22.255 8.937 -8.838 1.00 0.00 H ATOM 403 HB3 LYS A 170 -23.566 10.126 -9.029 1.00 0.00 H ATOM 404 HG2 LYS A 170 -25.214 8.406 -9.186 1.00 0.00 H ATOM 405 HG3 LYS A 170 -23.970 7.140 -9.315 1.00 0.00 H ATOM 406 HD2 LYS A 170 -23.437 7.236 -7.063 1.00 0.00 H ATOM 407 HD3 LYS A 170 -23.951 8.932 -6.905 1.00 0.00 H ATOM 408 HE2 LYS A 170 -26.283 8.280 -6.963 1.00 0.00 H ATOM 409 HE3 LYS A 170 -25.431 7.370 -5.693 1.00 0.00 H ATOM 410 HZ1 LYS A 170 -26.166 6.337 -8.377 1.00 0.00 H ATOM 411 HZ2 LYS A 170 -25.353 5.468 -7.165 1.00 0.00 H ATOM 412 HZ3 LYS A 170 -26.954 5.979 -6.915 1.00 0.00 H ATOM 413 H LYS A 170 -21.894 7.263 -10.586 1.00 0.00 H ATOM 414 N THR A 171 -20.957 10.432 -11.235 1.00 16.95 N ATOM 415 CA THR A 171 -20.221 11.609 -11.677 1.00 17.67 C ATOM 416 C THR A 171 -20.261 11.761 -13.195 1.00 16.83 C ATOM 417 O THR A 171 -20.422 12.876 -13.705 1.00 17.01 O ATOM 418 CB THR A 171 -18.782 11.574 -11.173 1.00 18.21 C ATOM 419 OG1 THR A 171 -18.800 11.609 -9.749 1.00 21.95 O ATOM 420 CG2 THR A 171 -18.012 12.789 -11.664 1.00 19.20 C ATOM 421 HA THR A 171 -20.713 12.481 -11.247 1.00 0.00 H ATOM 422 HB THR A 171 -18.301 10.668 -11.543 1.00 0.00 H ATOM 423 HG1 THR A 171 -19.297 10.824 -9.407 1.00 0.00 H ATOM 424 HG23 THR A 171 -17.985 12.784 -12.754 1.00 0.00 H ATOM 425 HG21 THR A 171 -18.506 13.696 -11.316 1.00 0.00 H ATOM 426 HG22 THR A 171 -16.995 12.755 -11.274 1.00 0.00 H ATOM 427 H THR A 171 -20.445 9.607 -10.862 1.00 0.00 H ATOM 428 N LEU A 172 -20.159 10.646 -13.920 1.00 16.41 N ATOM 429 CA LEU A 172 -20.176 10.706 -15.377 1.00 16.78 C ATOM 430 C LEU A 172 -21.537 11.191 -15.899 1.00 16.83 C ATOM 431 O LEU A 172 -21.599 11.911 -16.897 1.00 17.24 O ATOM 432 CB LEU A 172 -19.812 9.342 -15.984 1.00 16.63 C ATOM 433 CG LEU A 172 -19.645 9.357 -17.506 1.00 16.50 C ATOM 434 CD1 LEU A 172 -18.752 10.516 -17.983 1.00 18.71 C ATOM 435 CD2 LEU A 172 -19.082 8.024 -17.985 1.00 18.75 C ATOM 436 HA LEU A 172 -19.423 11.430 -15.689 1.00 0.00 H ATOM 437 HB2 LEU A 172 -18.874 9.009 -15.540 1.00 0.00 H ATOM 438 HB3 LEU A 172 -20.602 8.634 -15.733 1.00 0.00 H ATOM 439 HG LEU A 172 -20.633 9.511 -17.940 1.00 0.00 H ATOM 440 HD21 LEU A 172 -18.111 7.853 -17.520 1.00 0.00 H ATOM 441 HD22 LEU A 172 -19.766 7.222 -17.708 1.00 0.00 H ATOM 442 HD23 LEU A 172 -18.968 8.048 -19.069 1.00 0.00 H ATOM 443 HD11 LEU A 172 -19.198 11.464 -17.682 1.00 0.00 H ATOM 444 HD12 LEU A 172 -17.763 10.419 -17.535 1.00 0.00 H ATOM 445 HD13 LEU A 172 -18.665 10.483 -19.069 1.00 0.00 H ATOM 446 H LEU A 172 -20.067 9.727 -13.443 1.00 0.00 H ATOM 447 N ARG A 173 -22.618 10.833 -15.211 1.00 17.79 N ATOM 448 CA ARG A 173 -23.961 11.318 -15.623 1.00 19.14 C ATOM 449 C ARG A 173 -24.023 12.848 -15.634 1.00 19.06 C ATOM 450 O ARG A 173 -24.699 13.438 -16.496 1.00 19.58 O ATOM 451 CB ARG A 173 -25.067 10.774 -14.714 1.00 20.23 C ATOM 452 CG ARG A 173 -25.437 9.328 -14.988 1.00 24.05 C ATOM 453 CD ARG A 173 -26.938 9.086 -14.679 1.00 29.73 C ATOM 454 NE ARG A 173 -27.785 9.544 -15.786 1.00 33.12 N ATOM 455 CZ ARG A 173 -29.110 9.696 -15.751 1.00 34.76 C ATOM 456 NH1 ARG A 173 -29.810 9.419 -14.649 1.00 35.69 N ATOM 457 NH2 ARG A 173 -29.743 10.130 -16.837 1.00 37.99 N ATOM 458 HA ARG A 173 -24.126 10.946 -16.634 1.00 0.00 H ATOM 459 HB2 ARG A 173 -24.730 10.852 -13.680 1.00 0.00 H ATOM 460 HB3 ARG A 173 -25.957 11.388 -14.852 1.00 0.00 H ATOM 461 HG2 ARG A 173 -25.245 9.100 -16.036 1.00 0.00 H ATOM 462 HG3 ARG A 173 -24.831 8.676 -14.359 1.00 0.00 H ATOM 463 HD2 ARG A 173 -27.208 9.631 -13.774 1.00 0.00 H ATOM 464 HD3 ARG A 173 -27.102 8.020 -14.522 1.00 0.00 H ATOM 465 HE ARG A 173 -27.308 9.771 -16.682 1.00 0.00 H ATOM 466 HH12 ARG A 173 -30.842 9.545 -14.643 1.00 0.00 H ATOM 467 HH11 ARG A 173 -29.323 9.078 -13.796 1.00 0.00 H ATOM 468 HH22 ARG A 173 -30.776 10.253 -16.823 1.00 0.00 H ATOM 469 HH21 ARG A 173 -29.205 10.347 -17.701 1.00 0.00 H ATOM 470 H ARG A 173 -22.523 10.212 -14.382 1.00 0.00 H ATOM 471 N ALA A 174 -23.333 13.468 -14.680 1.00 19.34 N ATOM 472 CA ALA A 174 -23.323 14.925 -14.489 1.00 20.00 C ATOM 473 C ALA A 174 -22.298 15.663 -15.344 1.00 20.26 C ATOM 474 O ALA A 174 -22.353 16.891 -15.483 1.00 20.87 O ATOM 475 CB ALA A 174 -23.098 15.252 -13.007 1.00 19.87 C ATOM 476 HA ALA A 174 -24.299 15.279 -14.820 1.00 0.00 H ATOM 477 HB1 ALA A 174 -23.901 14.815 -12.414 1.00 0.00 H ATOM 478 HB2 ALA A 174 -22.142 14.839 -12.686 1.00 0.00 H ATOM 479 HB3 ALA A 174 -23.092 16.334 -12.872 1.00 0.00 H ATOM 480 H ALA A 174 -22.767 12.886 -14.030 1.00 0.00 H ATOM 481 N GLU A 175 -21.349 14.920 -15.893 1.00 19.51 N ATOM 482 CA GLU A 175 -20.281 15.502 -16.697 1.00 19.33 C ATOM 483 C GLU A 175 -20.842 16.172 -17.933 1.00 19.49 C ATOM 484 O GLU A 175 -21.737 15.623 -18.582 1.00 19.62 O ATOM 485 CB GLU A 175 -19.323 14.374 -17.102 1.00 19.30 C ATOM 486 CG GLU A 175 -18.051 14.849 -17.805 1.00 19.50 C ATOM 487 CD GLU A 175 -17.077 15.560 -16.873 1.00 21.71 C ATOM 488 OE1 GLU A 175 -17.052 15.270 -15.652 1.00 22.44 O ATOM 489 OE2 GLU A 175 -16.327 16.418 -17.372 1.00 24.59 O ATOM 490 HA GLU A 175 -19.756 16.261 -16.117 1.00 0.00 H ATOM 491 HB2 GLU A 175 -19.033 13.832 -16.202 1.00 0.00 H ATOM 492 HB3 GLU A 175 -19.854 13.700 -17.775 1.00 0.00 H ATOM 493 HG2 GLU A 175 -17.549 13.982 -18.235 1.00 0.00 H ATOM 494 HG3 GLU A 175 -18.332 15.537 -18.602 1.00 0.00 H ATOM 495 H GLU A 175 -21.366 13.891 -15.746 1.00 0.00 H ATOM 496 N GLN A 176 -20.311 17.351 -18.266 1.00 20.21 N ATOM 497 CA GLN A 176 -20.719 18.055 -19.473 1.00 21.84 C ATOM 498 C GLN A 176 -19.847 17.649 -20.655 1.00 21.24 C ATOM 499 O GLN A 176 -18.814 18.262 -20.923 1.00 22.51 O ATOM 500 CB GLN A 176 -20.665 19.556 -19.262 1.00 22.39 C ATOM 501 CG GLN A 176 -21.622 20.053 -18.197 1.00 26.07 C ATOM 502 CD GLN A 176 -21.733 21.552 -18.213 1.00 27.29 C ATOM 503 OE1 GLN A 176 -22.390 22.129 -19.099 1.00 33.44 O ATOM 504 NE2 GLN A 176 -21.092 22.208 -17.242 1.00 31.62 N ATOM 505 HA GLN A 176 -21.749 17.777 -19.696 1.00 0.00 H ATOM 506 HB2 GLN A 176 -19.651 19.827 -18.968 1.00 0.00 H ATOM 507 HB3 GLN A 176 -20.912 20.046 -20.204 1.00 0.00 H ATOM 508 HG2 GLN A 176 -22.607 19.623 -18.377 1.00 0.00 H ATOM 509 HG3 GLN A 176 -21.261 19.735 -17.219 1.00 0.00 H ATOM 510 HE22 GLN A 176 -20.556 21.680 -16.524 1.00 0.00 H ATOM 511 HE21 GLN A 176 -21.129 23.247 -17.204 1.00 0.00 H ATOM 512 H GLN A 176 -19.590 17.776 -17.649 1.00 0.00 H ATOM 513 N ALA A 177 -20.282 16.612 -21.357 1.00 21.06 N ATOM 514 CA ALA A 177 -19.560 16.061 -22.503 1.00 21.03 C ATOM 515 C ALA A 177 -20.563 15.358 -23.408 1.00 21.05 C ATOM 516 O ALA A 177 -21.675 15.019 -22.981 1.00 21.03 O ATOM 517 CB ALA A 177 -18.495 15.065 -22.039 1.00 21.28 C ATOM 518 HA ALA A 177 -19.061 16.866 -23.042 1.00 0.00 H ATOM 519 HB1 ALA A 177 -17.786 15.572 -21.384 1.00 0.00 H ATOM 520 HB2 ALA A 177 -18.974 14.250 -21.497 1.00 0.00 H ATOM 521 HB3 ALA A 177 -17.969 14.667 -22.907 1.00 0.00 H ATOM 522 H ALA A 177 -21.181 16.169 -21.079 1.00 0.00 H ATOM 523 N SER A 178 -20.173 15.140 -24.663 1.00 20.46 N ATOM 524 CA SER A 178 -21.026 14.432 -25.604 1.00 20.34 C ATOM 525 C SER A 178 -21.209 12.971 -25.176 1.00 19.86 C ATOM 526 O SER A 178 -20.378 12.414 -24.451 1.00 18.04 O ATOM 527 CB SER A 178 -20.423 14.495 -27.009 1.00 20.82 C ATOM 528 OG SER A 178 -19.311 13.615 -27.119 1.00 21.29 O ATOM 529 HA SER A 178 -22.004 14.914 -25.613 1.00 0.00 H ATOM 530 HB2 SER A 178 -20.095 15.514 -27.212 1.00 0.00 H ATOM 531 HB3 SER A 178 -21.181 14.207 -27.737 1.00 0.00 H ATOM 532 HG SER A 178 -18.937 13.671 -28.034 1.00 0.00 H ATOM 533 H SER A 178 -19.242 15.482 -24.975 1.00 0.00 H ATOM 534 N GLN A 179 -22.283 12.337 -25.639 1.00 20.67 N ATOM 535 CA GLN A 179 -22.502 10.931 -25.313 1.00 21.67 C ATOM 536 C GLN A 179 -21.359 10.056 -25.834 1.00 21.46 C ATOM 537 O GLN A 179 -20.964 9.085 -25.187 1.00 21.47 O ATOM 538 CB GLN A 179 -23.865 10.449 -25.833 1.00 22.87 C ATOM 539 CG GLN A 179 -25.047 11.160 -25.156 1.00 26.14 C ATOM 540 CD GLN A 179 -25.015 11.060 -23.625 1.00 29.14 C ATOM 541 OE1 GLN A 179 -24.929 12.071 -22.922 1.00 32.01 O ATOM 542 NE2 GLN A 179 -25.056 9.845 -23.115 1.00 31.43 N ATOM 543 HA GLN A 179 -22.513 10.837 -24.227 1.00 0.00 H ATOM 544 HB2 GLN A 179 -23.914 10.636 -26.906 1.00 0.00 H ATOM 545 HB3 GLN A 179 -23.950 9.378 -25.647 1.00 0.00 H ATOM 546 HG2 GLN A 179 -25.024 12.213 -25.435 1.00 0.00 H ATOM 547 HG3 GLN A 179 -25.973 10.710 -25.514 1.00 0.00 H ATOM 548 HE22 GLN A 179 -25.129 9.019 -23.743 1.00 0.00 H ATOM 549 HE21 GLN A 179 -25.016 9.712 -22.084 1.00 0.00 H ATOM 550 H GLN A 179 -22.968 12.844 -26.235 1.00 0.00 H ATOM 551 N GLU A 180 -20.813 10.423 -26.992 1.00 21.47 N ATOM 552 CA GLU A 180 -19.703 9.697 -27.599 1.00 21.86 C ATOM 553 C GLU A 180 -18.455 9.788 -26.706 1.00 19.48 C ATOM 554 O GLU A 180 -17.735 8.798 -26.510 1.00 18.78 O ATOM 555 CB GLU A 180 -19.434 10.306 -28.977 1.00 23.10 C ATOM 556 CG GLU A 180 -18.378 9.672 -29.840 1.00 26.43 C ATOM 557 CD GLU A 180 -18.185 10.465 -31.139 1.00 26.44 C ATOM 558 OE1 GLU A 180 -19.013 11.357 -31.421 1.00 32.11 O ATOM 559 OE2 GLU A 180 -17.205 10.217 -31.877 1.00 32.61 O ATOM 560 HA GLU A 180 -19.953 8.642 -27.706 1.00 0.00 H ATOM 561 HB2 GLU A 180 -20.370 10.272 -29.534 1.00 0.00 H ATOM 562 HB3 GLU A 180 -19.143 11.345 -28.820 1.00 0.00 H ATOM 563 HG2 GLU A 180 -17.436 9.648 -29.292 1.00 0.00 H ATOM 564 HG3 GLU A 180 -18.680 8.654 -30.085 1.00 0.00 H ATOM 565 H GLU A 180 -21.192 11.258 -27.482 1.00 0.00 H ATOM 566 N VAL A 181 -18.228 10.968 -26.146 1.00 18.23 N ATOM 567 CA VAL A 181 -17.127 11.149 -25.204 1.00 17.25 C ATOM 568 C VAL A 181 -17.381 10.397 -23.895 1.00 16.79 C ATOM 569 O VAL A 181 -16.453 9.817 -23.319 1.00 16.44 O ATOM 570 CB VAL A 181 -16.807 12.646 -25.005 1.00 17.44 C ATOM 571 CG1 VAL A 181 -15.925 12.886 -23.795 1.00 17.51 C ATOM 572 CG2 VAL A 181 -16.146 13.185 -26.263 1.00 17.01 C ATOM 573 HA VAL A 181 -16.229 10.702 -25.631 1.00 0.00 H ATOM 574 HB VAL A 181 -17.743 13.174 -24.822 1.00 0.00 H ATOM 575 HG11 VAL A 181 -16.432 12.525 -22.900 1.00 0.00 H ATOM 576 HG12 VAL A 181 -14.984 12.351 -23.921 1.00 0.00 H ATOM 577 HG13 VAL A 181 -15.728 13.953 -23.697 1.00 0.00 H ATOM 578 HG21 VAL A 181 -15.224 12.634 -26.452 1.00 0.00 H ATOM 579 HG22 VAL A 181 -16.823 13.063 -27.108 1.00 0.00 H ATOM 580 HG23 VAL A 181 -15.918 14.242 -26.128 1.00 0.00 H ATOM 581 H VAL A 181 -18.841 11.774 -26.380 1.00 0.00 H ATOM 582 N LYS A 182 -18.631 10.390 -23.423 1.00 16.21 N ATOM 583 CA LYS A 182 -18.927 9.628 -22.219 1.00 15.89 C ATOM 584 C LYS A 182 -18.659 8.140 -22.394 1.00 15.56 C ATOM 585 O LYS A 182 -18.221 7.477 -21.435 1.00 16.00 O ATOM 586 CB LYS A 182 -20.344 9.902 -21.702 1.00 15.38 C ATOM 587 CG LYS A 182 -20.554 11.342 -21.281 1.00 16.03 C ATOM 588 CD LYS A 182 -21.847 11.501 -20.516 1.00 16.61 C ATOM 589 CE LYS A 182 -22.042 12.942 -20.123 1.00 17.70 C ATOM 590 NZ LYS A 182 -23.178 13.090 -19.161 1.00 19.38 N ATOM 591 HA LYS A 182 -18.236 9.977 -21.452 1.00 0.00 H ATOM 592 HB2 LYS A 182 -21.055 9.664 -22.494 1.00 0.00 H ATOM 593 HB3 LYS A 182 -20.531 9.258 -20.843 1.00 0.00 H ATOM 594 HG2 LYS A 182 -19.724 11.653 -20.646 1.00 0.00 H ATOM 595 HG3 LYS A 182 -20.586 11.972 -22.170 1.00 0.00 H ATOM 596 HD2 LYS A 182 -22.679 11.182 -21.144 1.00 0.00 H ATOM 597 HD3 LYS A 182 -21.813 10.884 -19.618 1.00 0.00 H ATOM 598 HE2 LYS A 182 -22.253 13.529 -21.017 1.00 0.00 H ATOM 599 HE3 LYS A 182 -21.129 13.310 -19.655 1.00 0.00 H ATOM 600 HZ1 LYS A 182 -24.053 12.744 -19.604 1.00 0.00 H ATOM 601 HZ2 LYS A 182 -22.979 12.535 -18.304 1.00 0.00 H ATOM 602 HZ3 LYS A 182 -23.288 14.093 -18.908 1.00 0.00 H ATOM 603 H LYS A 182 -19.381 10.921 -23.909 1.00 0.00 H ATOM 604 N ALA A 183 -18.919 7.613 -23.597 1.00 15.92 N ATOM 605 CA ALA A 183 -18.603 6.215 -23.917 1.00 16.29 C ATOM 606 C ALA A 183 -17.098 6.000 -23.810 1.00 16.79 C ATOM 607 O ALA A 183 -16.652 5.060 -23.170 1.00 17.09 O ATOM 608 CB ALA A 183 -19.110 5.830 -25.288 1.00 16.42 C ATOM 609 HA ALA A 183 -19.110 5.570 -23.199 1.00 0.00 H ATOM 610 HB1 ALA A 183 -20.192 5.955 -25.322 1.00 0.00 H ATOM 611 HB2 ALA A 183 -18.645 6.469 -26.039 1.00 0.00 H ATOM 612 HB3 ALA A 183 -18.857 4.789 -25.488 1.00 0.00 H ATOM 613 H ALA A 183 -19.358 8.211 -24.326 1.00 0.00 H ATOM 614 N TRP A 184 -16.328 6.901 -24.418 1.00 16.74 N ATOM 615 CA TRP A 184 -14.873 6.798 -24.400 1.00 18.14 C ATOM 616 C TRP A 184 -14.309 6.902 -22.970 1.00 17.26 C ATOM 617 O TRP A 184 -13.421 6.133 -22.582 1.00 17.81 O ATOM 618 CB TRP A 184 -14.284 7.861 -25.324 1.00 19.56 C ATOM 619 CG TRP A 184 -12.801 8.009 -25.202 1.00 21.50 C ATOM 620 CD1 TRP A 184 -11.853 7.086 -25.509 1.00 24.11 C ATOM 621 CD2 TRP A 184 -12.113 9.172 -24.762 1.00 23.03 C ATOM 622 NE1 TRP A 184 -10.596 7.603 -25.274 1.00 22.96 N ATOM 623 CE2 TRP A 184 -10.729 8.885 -24.814 1.00 23.56 C ATOM 624 CE3 TRP A 184 -12.531 10.441 -24.332 1.00 24.43 C ATOM 625 CZ2 TRP A 184 -9.754 9.819 -24.435 1.00 24.24 C ATOM 626 CZ3 TRP A 184 -11.563 11.377 -23.979 1.00 24.74 C ATOM 627 CH2 TRP A 184 -10.183 11.057 -24.030 1.00 24.32 C ATOM 628 HA TRP A 184 -14.583 5.813 -24.767 1.00 0.00 H ATOM 629 HB2 TRP A 184 -14.520 7.591 -26.353 1.00 0.00 H ATOM 630 HB3 TRP A 184 -14.746 8.819 -25.086 1.00 0.00 H ATOM 631 HE1 TRP A 184 -9.697 7.102 -25.422 1.00 0.00 H ATOM 632 HD1 TRP A 184 -12.056 6.084 -25.886 1.00 0.00 H ATOM 633 HZ2 TRP A 184 -8.693 9.570 -24.461 1.00 0.00 H ATOM 634 HH2 TRP A 184 -9.449 11.809 -23.742 1.00 0.00 H ATOM 635 HZ3 TRP A 184 -11.871 12.372 -23.658 1.00 0.00 H ATOM 636 HE3 TRP A 184 -13.591 10.688 -24.276 1.00 0.00 H ATOM 637 H TRP A 184 -16.775 7.697 -24.917 1.00 0.00 H ATOM 638 N MET A 185 -14.863 7.810 -22.174 1.00 16.28 N ATOM 639 CA MET A 185 -14.451 7.945 -20.765 1.00 16.99 C ATOM 640 C MET A 185 -14.684 6.630 -20.013 1.00 16.71 C ATOM 641 O MET A 185 -13.862 6.199 -19.202 1.00 16.55 O ATOM 642 CB MET A 185 -15.218 9.073 -20.074 1.00 16.95 C ATOM 643 CG MET A 185 -14.828 10.484 -20.566 1.00 17.45 C ATOM 644 SD MET A 185 -16.038 11.719 -20.023 1.00 19.67 S ATOM 645 CE MET A 185 -15.094 13.204 -20.244 1.00 20.72 C ATOM 646 HA MET A 185 -13.388 8.186 -20.750 1.00 0.00 H ATOM 647 HB2 MET A 185 -16.283 8.927 -20.256 1.00 0.00 H ATOM 648 HB3 MET A 185 -15.023 9.016 -19.003 1.00 0.00 H ATOM 649 HG2 MET A 185 -14.784 10.483 -21.655 1.00 0.00 H ATOM 650 HG3 MET A 185 -13.848 10.744 -20.164 1.00 0.00 H ATOM 651 HE1 MET A 185 -14.199 13.160 -19.623 1.00 0.00 H ATOM 652 HE2 MET A 185 -14.807 13.298 -21.291 1.00 0.00 H ATOM 653 HE3 MET A 185 -15.698 14.064 -19.953 1.00 0.00 H ATOM 654 H MET A 185 -15.601 8.437 -22.552 1.00 0.00 H ATOM 655 N THR A 186 -15.804 5.978 -20.294 1.00 15.91 N ATOM 656 CA THR A 186 -16.113 4.721 -19.607 1.00 16.25 C ATOM 657 C THR A 186 -15.147 3.615 -20.052 1.00 16.94 C ATOM 658 O THR A 186 -14.652 2.834 -19.222 1.00 17.53 O ATOM 659 CB THR A 186 -17.573 4.304 -19.832 1.00 15.61 C ATOM 660 OG1 THR A 186 -18.428 5.354 -19.358 1.00 15.66 O ATOM 661 CG2 THR A 186 -17.897 3.047 -19.039 1.00 16.78 C ATOM 662 HA THR A 186 -15.982 4.880 -18.537 1.00 0.00 H ATOM 663 HB THR A 186 -17.724 4.115 -20.895 1.00 0.00 H ATOM 664 HG1 THR A 186 -18.234 6.187 -19.857 1.00 0.00 H ATOM 665 HG23 THR A 186 -17.260 2.230 -19.379 1.00 0.00 H ATOM 666 HG21 THR A 186 -17.719 3.231 -17.980 1.00 0.00 H ATOM 667 HG22 THR A 186 -18.943 2.782 -19.192 1.00 0.00 H ATOM 668 H THR A 186 -16.463 6.359 -21.002 1.00 0.00 H ATOM 669 N GLU A 187 -14.878 3.578 -21.353 1.00 17.41 N ATOM 670 CA GLU A 187 -14.023 2.576 -21.965 1.00 18.95 C ATOM 671 C GLU A 187 -12.577 2.665 -21.488 1.00 19.85 C ATOM 672 O GLU A 187 -11.855 1.645 -21.499 1.00 21.75 O ATOM 673 CB GLU A 187 -14.074 2.714 -23.496 1.00 19.42 C ATOM 674 CG GLU A 187 -15.405 2.317 -24.142 1.00 22.91 C ATOM 675 CD GLU A 187 -15.680 3.101 -25.431 1.00 28.07 C ATOM 676 OE1 GLU A 187 -14.721 3.650 -26.018 1.00 30.96 O ATOM 677 OE2 GLU A 187 -16.854 3.192 -25.850 1.00 30.82 O ATOM 678 HA GLU A 187 -14.403 1.601 -21.661 1.00 0.00 H ATOM 679 HB2 GLU A 187 -13.874 3.755 -23.748 1.00 0.00 H ATOM 680 HB3 GLU A 187 -13.292 2.083 -23.918 1.00 0.00 H ATOM 681 HG2 GLU A 187 -15.378 1.253 -24.377 1.00 0.00 H ATOM 682 HG3 GLU A 187 -16.211 2.511 -23.434 1.00 0.00 H ATOM 683 H GLU A 187 -15.302 4.304 -21.965 1.00 0.00 H ATOM 684 N THR A 188 -12.155 3.860 -21.068 1.00 19.16 N ATOM 685 CA THR A 188 -10.757 4.087 -20.707 1.00 19.63 C ATOM 686 C THR A 188 -10.552 4.403 -19.230 1.00 19.28 C ATOM 687 O THR A 188 -9.776 3.718 -18.554 1.00 20.75 O ATOM 688 CB THR A 188 -10.149 5.216 -21.549 1.00 20.12 C ATOM 689 OG1 THR A 188 -10.959 6.384 -21.408 1.00 21.65 O ATOM 690 CG2 THR A 188 -10.104 4.823 -23.006 1.00 20.96 C ATOM 691 HA THR A 188 -10.248 3.145 -20.914 1.00 0.00 H ATOM 692 HB THR A 188 -9.134 5.410 -21.204 1.00 0.00 H ATOM 693 HG1 THR A 188 -11.877 6.188 -21.723 1.00 0.00 H ATOM 694 HG23 THR A 188 -9.487 3.932 -23.122 1.00 0.00 H ATOM 695 HG21 THR A 188 -11.115 4.615 -23.356 1.00 0.00 H ATOM 696 HG22 THR A 188 -9.677 5.640 -23.588 1.00 0.00 H ATOM 697 H THR A 188 -12.834 4.644 -20.996 1.00 0.00 H ATOM 698 N LEU A 189 -11.225 5.435 -18.717 1.00 18.48 N ATOM 699 CA LEU A 189 -10.976 5.892 -17.344 1.00 18.86 C ATOM 700 C LEU A 189 -11.411 4.914 -16.258 1.00 19.00 C ATOM 701 O LEU A 189 -10.805 4.856 -15.189 1.00 18.64 O ATOM 702 CB LEU A 189 -11.658 7.232 -17.084 1.00 19.25 C ATOM 703 CG LEU A 189 -11.205 8.422 -17.907 1.00 20.54 C ATOM 704 CD1 LEU A 189 -12.075 9.609 -17.523 1.00 22.83 C ATOM 705 CD2 LEU A 189 -9.731 8.710 -17.630 1.00 22.64 C ATOM 706 HA LEU A 189 -9.892 5.982 -17.281 1.00 0.00 H ATOM 707 HB2 LEU A 189 -12.724 7.096 -17.266 1.00 0.00 H ATOM 708 HB3 LEU A 189 -11.499 7.481 -16.035 1.00 0.00 H ATOM 709 HG LEU A 189 -11.308 8.221 -18.973 1.00 0.00 H ATOM 710 HD21 LEU A 189 -9.598 8.931 -16.571 1.00 0.00 H ATOM 711 HD22 LEU A 189 -9.135 7.837 -17.898 1.00 0.00 H ATOM 712 HD23 LEU A 189 -9.411 9.566 -18.224 1.00 0.00 H ATOM 713 HD11 LEU A 189 -13.119 9.377 -17.735 1.00 0.00 H ATOM 714 HD12 LEU A 189 -11.956 9.816 -16.459 1.00 0.00 H ATOM 715 HD13 LEU A 189 -11.772 10.482 -18.101 1.00 0.00 H ATOM 716 H LEU A 189 -11.936 5.923 -19.298 1.00 0.00 H ATOM 717 N LEU A 190 -12.464 4.141 -16.507 1.00 18.12 N ATOM 718 CA LEU A 190 -12.961 3.268 -15.444 1.00 18.81 C ATOM 719 C LEU A 190 -11.885 2.272 -15.042 1.00 18.97 C ATOM 720 O LEU A 190 -11.593 2.108 -13.852 1.00 19.61 O ATOM 721 CB LEU A 190 -14.237 2.547 -15.885 1.00 18.30 C ATOM 722 CG LEU A 190 -14.905 1.628 -14.867 1.00 19.44 C ATOM 723 CD1 LEU A 190 -15.424 2.429 -13.696 1.00 20.09 C ATOM 724 CD2 LEU A 190 -16.049 0.840 -15.551 1.00 19.84 C ATOM 725 HA LEU A 190 -13.208 3.880 -14.576 1.00 0.00 H ATOM 726 HB2 LEU A 190 -14.964 3.309 -16.166 1.00 0.00 H ATOM 727 HB3 LEU A 190 -13.988 1.944 -16.758 1.00 0.00 H ATOM 728 HG LEU A 190 -14.171 0.918 -14.487 1.00 0.00 H ATOM 729 HD21 LEU A 190 -16.785 1.540 -15.946 1.00 0.00 H ATOM 730 HD22 LEU A 190 -15.640 0.243 -16.366 1.00 0.00 H ATOM 731 HD23 LEU A 190 -16.524 0.185 -14.821 1.00 0.00 H ATOM 732 HD11 LEU A 190 -14.594 2.948 -13.216 1.00 0.00 H ATOM 733 HD12 LEU A 190 -16.153 3.157 -14.050 1.00 0.00 H ATOM 734 HD13 LEU A 190 -15.897 1.758 -12.980 1.00 0.00 H ATOM 735 H LEU A 190 -12.925 4.157 -17.439 1.00 0.00 H ATOM 736 N VAL A 191 -11.260 1.641 -16.033 1.00 19.30 N ATOM 737 CA VAL A 191 -10.164 0.720 -15.723 1.00 20.52 C ATOM 738 C VAL A 191 -8.914 1.493 -15.295 1.00 20.58 C ATOM 739 O VAL A 191 -8.260 1.112 -14.336 1.00 20.61 O ATOM 740 CB VAL A 191 -9.875 -0.240 -16.893 1.00 21.05 C ATOM 741 CG1 VAL A 191 -8.614 -1.085 -16.617 1.00 22.88 C ATOM 742 CG2 VAL A 191 -11.067 -1.161 -17.113 1.00 22.78 C ATOM 743 HA VAL A 191 -10.475 0.099 -14.883 1.00 0.00 H ATOM 744 HB VAL A 191 -9.702 0.357 -17.788 1.00 0.00 H ATOM 745 HG11 VAL A 191 -7.757 -0.424 -16.486 1.00 0.00 H ATOM 746 HG12 VAL A 191 -8.763 -1.672 -15.711 1.00 0.00 H ATOM 747 HG13 VAL A 191 -8.434 -1.753 -17.459 1.00 0.00 H ATOM 748 HG21 VAL A 191 -11.249 -1.740 -16.208 1.00 0.00 H ATOM 749 HG22 VAL A 191 -11.948 -0.563 -17.346 1.00 0.00 H ATOM 750 HG23 VAL A 191 -10.855 -1.836 -17.942 1.00 0.00 H ATOM 751 H VAL A 191 -11.547 1.801 -17.020 1.00 0.00 H ATOM 752 N GLN A 192 -8.602 2.597 -15.968 1.00 21.26 N ATOM 753 CA GLN A 192 -7.375 3.328 -15.675 1.00 21.82 C ATOM 754 C GLN A 192 -7.320 3.854 -14.237 1.00 21.25 C ATOM 755 O GLN A 192 -6.238 3.910 -13.631 1.00 22.10 O ATOM 756 CB GLN A 192 -7.192 4.477 -16.675 1.00 23.26 C ATOM 757 CG GLN A 192 -6.045 5.406 -16.394 1.00 27.95 C ATOM 758 CD GLN A 192 -5.654 6.173 -17.635 1.00 31.97 C ATOM 759 OE1 GLN A 192 -6.513 6.511 -18.459 1.00 36.25 O ATOM 760 NE2 GLN A 192 -4.355 6.427 -17.799 1.00 35.79 N ATOM 761 HA GLN A 192 -6.553 2.620 -15.778 1.00 0.00 H ATOM 762 HB2 GLN A 192 -7.037 4.041 -17.662 1.00 0.00 H ATOM 763 HB3 GLN A 192 -8.108 5.067 -16.680 1.00 0.00 H ATOM 764 HG2 GLN A 192 -6.339 6.111 -15.617 1.00 0.00 H ATOM 765 HG3 GLN A 192 -5.190 4.824 -16.050 1.00 0.00 H ATOM 766 HE22 GLN A 192 -3.670 6.123 -17.078 1.00 0.00 H ATOM 767 HE21 GLN A 192 -4.027 6.930 -18.648 1.00 0.00 H ATOM 768 H GLN A 192 -9.241 2.943 -16.712 1.00 0.00 H ATOM 769 N ASN A 193 -8.471 4.238 -13.688 1.00 19.89 N ATOM 770 CA ASN A 193 -8.501 4.847 -12.367 1.00 19.40 C ATOM 771 C ASN A 193 -8.936 3.918 -11.241 1.00 18.53 C ATOM 772 O ASN A 193 -9.139 4.351 -10.111 1.00 18.53 O ATOM 773 CB ASN A 193 -9.321 6.134 -12.384 1.00 19.68 C ATOM 774 CG ASN A 193 -8.576 7.272 -13.086 1.00 22.83 C ATOM 775 OD1 ASN A 193 -7.336 7.301 -13.108 1.00 25.80 O ATOM 776 ND2 ASN A 193 -9.318 8.198 -13.652 1.00 24.75 N ATOM 777 HA ASN A 193 -7.463 5.086 -12.134 1.00 0.00 H ATOM 778 HB2 ASN A 193 -10.258 5.949 -12.909 1.00 0.00 H ATOM 779 HB3 ASN A 193 -9.533 6.431 -11.357 1.00 0.00 H ATOM 780 HD22 ASN A 193 -10.355 8.132 -13.608 1.00 0.00 H ATOM 781 HD21 ASN A 193 -8.868 8.996 -14.144 1.00 0.00 H ATOM 782 H ASN A 193 -9.360 4.101 -14.210 1.00 0.00 H ATOM 783 N ALA A 194 -9.071 2.643 -11.574 1.00 17.97 N ATOM 784 CA ALA A 194 -9.198 1.591 -10.578 1.00 17.74 C ATOM 785 C ALA A 194 -7.901 1.512 -9.774 1.00 18.54 C ATOM 786 O ALA A 194 -6.831 1.968 -10.226 1.00 18.80 O ATOM 787 CB ALA A 194 -9.478 0.251 -11.257 1.00 18.04 C ATOM 788 HA ALA A 194 -10.030 1.818 -9.911 1.00 0.00 H ATOM 789 HB1 ALA A 194 -10.406 0.320 -11.824 1.00 0.00 H ATOM 790 HB2 ALA A 194 -8.656 0.008 -11.930 1.00 0.00 H ATOM 791 HB3 ALA A 194 -9.571 -0.527 -10.499 1.00 0.00 H ATOM 792 H ALA A 194 -9.087 2.386 -12.582 1.00 0.00 H ATOM 793 N ASN A 195 -7.985 0.905 -8.601 1.00 18.54 N ATOM 794 CA ASN A 195 -6.789 0.760 -7.769 1.00 20.17 C ATOM 795 C ASN A 195 -5.859 -0.316 -8.376 1.00 20.89 C ATOM 796 O ASN A 195 -6.274 -1.073 -9.255 1.00 20.78 O ATOM 797 CB ASN A 195 -7.153 0.536 -6.285 1.00 19.79 C ATOM 798 CG ASN A 195 -7.887 -0.782 -6.021 1.00 20.56 C ATOM 799 OD1 ASN A 195 -7.677 -1.786 -6.702 1.00 20.44 O ATOM 800 ND2 ASN A 195 -8.736 -0.778 -4.992 1.00 19.37 N ATOM 801 HA ASN A 195 -6.223 1.691 -7.769 1.00 0.00 H ATOM 802 HB2 ASN A 195 -6.233 0.540 -5.701 1.00 0.00 H ATOM 803 HB3 ASN A 195 -7.792 1.357 -5.960 1.00 0.00 H ATOM 804 HD22 ASN A 195 -8.884 0.093 -4.443 1.00 0.00 H ATOM 805 HD21 ASN A 195 -9.250 -1.646 -4.739 1.00 0.00 H ATOM 806 H ASN A 195 -8.898 0.532 -8.271 1.00 0.00 H ATOM 807 N PRO A 196 -4.572 -0.353 -7.971 1.00 22.33 N ATOM 808 CA PRO A 196 -3.660 -1.290 -8.632 1.00 23.07 C ATOM 809 C PRO A 196 -4.105 -2.748 -8.663 1.00 23.75 C ATOM 810 O PRO A 196 -3.911 -3.426 -9.684 1.00 25.08 O ATOM 811 CB PRO A 196 -2.377 -1.152 -7.803 1.00 23.20 C ATOM 812 CG PRO A 196 -2.414 0.215 -7.326 1.00 23.43 C ATOM 813 CD PRO A 196 -3.866 0.471 -6.973 1.00 22.55 C ATOM 814 HA PRO A 196 -3.575 -1.043 -9.690 1.00 0.00 H ATOM 815 HD3 PRO A 196 -4.091 0.144 -5.958 1.00 0.00 H ATOM 816 HD2 PRO A 196 -4.120 1.526 -7.078 1.00 0.00 H ATOM 817 HG3 PRO A 196 -2.082 0.902 -8.105 1.00 0.00 H ATOM 818 HG2 PRO A 196 -1.780 0.331 -6.447 1.00 0.00 H ATOM 819 HB2 PRO A 196 -2.377 -1.854 -6.969 1.00 0.00 H ATOM 820 HB3 PRO A 196 -1.496 -1.323 -8.421 1.00 0.00 H ATOM 821 N ASP A 197 -4.708 -3.226 -7.578 1.00 24.53 N ATOM 822 CA ASP A 197 -5.127 -4.622 -7.499 1.00 25.17 C ATOM 823 C ASP A 197 -6.310 -4.936 -8.412 1.00 24.73 C ATOM 824 O ASP A 197 -6.330 -5.973 -9.062 1.00 25.39 O ATOM 825 CB ASP A 197 -5.394 -5.014 -6.045 1.00 27.10 C ATOM 826 CG ASP A 197 -4.136 -4.894 -5.174 1.00 30.41 C ATOM 827 OD1 ASP A 197 -3.035 -5.257 -5.654 1.00 33.74 O ATOM 828 OD2 ASP A 197 -4.244 -4.437 -4.013 1.00 34.71 O ATOM 829 HA ASP A 197 -4.306 -5.235 -7.869 1.00 0.00 H ATOM 830 HB2 ASP A 197 -6.166 -4.359 -5.640 1.00 0.00 H ATOM 831 HB3 ASP A 197 -5.744 -6.046 -6.017 1.00 0.00 H ATOM 832 H ASP A 197 -4.884 -2.594 -6.771 1.00 0.00 H ATOM 833 N CYS A 198 -7.279 -4.026 -8.484 1.00 23.10 N ATOM 834 CA CYS A 198 -8.395 -4.206 -9.415 1.00 22.24 C ATOM 835 C CYS A 198 -7.965 -3.987 -10.870 1.00 22.79 C ATOM 836 O CYS A 198 -8.391 -4.726 -11.768 1.00 23.47 O ATOM 837 CB CYS A 198 -9.570 -3.305 -9.027 1.00 21.80 C ATOM 838 SG CYS A 198 -10.494 -3.949 -7.581 1.00 21.10 S ATOM 839 HA CYS A 198 -8.728 -5.241 -9.342 1.00 0.00 H ATOM 840 HB2 CYS A 198 -10.251 -3.233 -9.875 1.00 0.00 H ATOM 841 HB3 CYS A 198 -9.187 -2.314 -8.785 1.00 0.00 H ATOM 842 HG CYS A 198 -11.536 -3.094 -7.285 1.00 0.00 H ATOM 843 H CYS A 198 -7.243 -3.183 -7.876 1.00 0.00 H ATOM 844 N LYS A 199 -7.129 -2.974 -11.095 1.00 23.26 N ATOM 845 CA LYS A 199 -6.609 -2.665 -12.423 1.00 24.76 C ATOM 846 C LYS A 199 -5.962 -3.897 -13.064 1.00 25.31 C ATOM 847 O LYS A 199 -6.195 -4.186 -14.236 1.00 25.73 O ATOM 848 CB LYS A 199 -5.626 -1.490 -12.336 1.00 24.94 C ATOM 849 CG LYS A 199 -5.312 -0.819 -13.642 1.00 26.70 C ATOM 850 CD LYS A 199 -4.887 0.611 -13.382 1.00 28.01 C ATOM 851 CE LYS A 199 -4.286 1.238 -14.617 1.00 29.87 C ATOM 852 NZ LYS A 199 -3.907 2.642 -14.347 1.00 30.89 N ATOM 853 HA LYS A 199 -7.438 -2.371 -13.067 1.00 0.00 H ATOM 854 HB2 LYS A 199 -6.052 -0.743 -11.667 1.00 0.00 H ATOM 855 HB3 LYS A 199 -4.692 -1.862 -11.915 1.00 0.00 H ATOM 856 HG2 LYS A 199 -4.504 -1.354 -14.141 1.00 0.00 H ATOM 857 HG3 LYS A 199 -6.198 -0.826 -14.277 1.00 0.00 H ATOM 858 HD2 LYS A 199 -5.758 1.191 -13.077 1.00 0.00 H ATOM 859 HD3 LYS A 199 -4.147 0.622 -12.582 1.00 0.00 H ATOM 860 HE2 LYS A 199 -5.016 1.211 -15.426 1.00 0.00 H ATOM 861 HE3 LYS A 199 -3.399 0.676 -14.911 1.00 0.00 H ATOM 862 HZ1 LYS A 199 -4.752 3.181 -14.069 1.00 0.00 H ATOM 863 HZ2 LYS A 199 -3.208 2.669 -13.577 1.00 0.00 H ATOM 864 HZ3 LYS A 199 -3.495 3.060 -15.206 1.00 0.00 H ATOM 865 H LYS A 199 -6.836 -2.380 -10.293 1.00 0.00 H ATOM 866 N THR A 200 -5.164 -4.632 -12.283 1.00 25.97 N ATOM 867 CA THR A 200 -4.510 -5.846 -12.780 1.00 26.52 C ATOM 868 C THR A 200 -5.541 -6.853 -13.284 1.00 25.94 C ATOM 869 O THR A 200 -5.423 -7.387 -14.391 1.00 26.29 O ATOM 870 CB THR A 200 -3.623 -6.479 -11.682 1.00 27.35 C ATOM 871 OG1 THR A 200 -2.512 -5.617 -11.447 1.00 30.28 O ATOM 872 CG2 THR A 200 -3.104 -7.847 -12.101 1.00 28.45 C ATOM 873 HA THR A 200 -3.871 -5.566 -13.618 1.00 0.00 H ATOM 874 HB THR A 200 -4.224 -6.605 -10.781 1.00 0.00 H ATOM 875 HG1 THR A 200 -2.840 -4.732 -11.149 1.00 0.00 H ATOM 876 HG23 THR A 200 -3.947 -8.514 -12.283 1.00 0.00 H ATOM 877 HG21 THR A 200 -2.515 -7.747 -13.012 1.00 0.00 H ATOM 878 HG22 THR A 200 -2.480 -8.256 -11.306 1.00 0.00 H ATOM 879 H THR A 200 -5.003 -4.335 -11.299 1.00 0.00 H ATOM 880 N ILE A 201 -6.561 -7.083 -12.466 1.00 24.39 N ATOM 881 CA ILE A 201 -7.624 -8.027 -12.764 1.00 24.03 C ATOM 882 C ILE A 201 -8.409 -7.591 -14.012 1.00 23.82 C ATOM 883 O ILE A 201 -8.632 -8.394 -14.909 1.00 23.90 O ATOM 884 CB ILE A 201 -8.554 -8.189 -11.536 1.00 23.34 C ATOM 885 CG1 ILE A 201 -7.820 -8.936 -10.408 1.00 23.42 C ATOM 886 CG2 ILE A 201 -9.849 -8.900 -11.893 1.00 23.75 C ATOM 887 CD1 ILE A 201 -8.509 -8.828 -9.069 1.00 22.28 C ATOM 888 HA ILE A 201 -7.180 -8.998 -12.982 1.00 0.00 H ATOM 889 HB ILE A 201 -8.819 -7.190 -11.189 1.00 0.00 H ATOM 890 HG12 ILE A 201 -7.753 -9.990 -10.678 1.00 0.00 H ATOM 891 HG13 ILE A 201 -6.816 -8.521 -10.315 1.00 0.00 H ATOM 892 HD11 ILE A 201 -8.575 -7.779 -8.779 1.00 0.00 H ATOM 893 HD12 ILE A 201 -9.512 -9.249 -9.143 1.00 0.00 H ATOM 894 HD13 ILE A 201 -7.937 -9.378 -8.322 1.00 0.00 H ATOM 895 HG21 ILE A 201 -10.381 -8.324 -12.650 1.00 0.00 H ATOM 896 HG22 ILE A 201 -9.622 -9.892 -12.282 1.00 0.00 H ATOM 897 HG23 ILE A 201 -10.470 -8.991 -11.002 1.00 0.00 H ATOM 898 H ILE A 201 -6.601 -6.561 -11.567 1.00 0.00 H ATOM 899 N LEU A 202 -8.787 -6.318 -14.074 1.00 23.94 N ATOM 900 CA LEU A 202 -9.580 -5.811 -15.198 1.00 24.17 C ATOM 901 C LEU A 202 -8.824 -5.895 -16.524 1.00 24.84 C ATOM 902 O LEU A 202 -9.408 -6.215 -17.556 1.00 24.47 O ATOM 903 CB LEU A 202 -10.044 -4.377 -14.927 1.00 24.22 C ATOM 904 CG LEU A 202 -10.899 -4.234 -13.670 1.00 24.35 C ATOM 905 CD1 LEU A 202 -10.974 -2.769 -13.197 1.00 25.87 C ATOM 906 CD2 LEU A 202 -12.279 -4.813 -13.896 1.00 23.54 C ATOM 907 HA LEU A 202 -10.457 -6.452 -15.289 1.00 0.00 H ATOM 908 HB2 LEU A 202 -9.163 -3.745 -14.817 1.00 0.00 H ATOM 909 HB3 LEU A 202 -10.629 -4.037 -15.782 1.00 0.00 H ATOM 910 HG LEU A 202 -10.419 -4.802 -12.873 1.00 0.00 H ATOM 911 HD21 LEU A 202 -12.764 -4.283 -14.716 1.00 0.00 H ATOM 912 HD22 LEU A 202 -12.192 -5.870 -14.146 1.00 0.00 H ATOM 913 HD23 LEU A 202 -12.872 -4.701 -12.988 1.00 0.00 H ATOM 914 HD11 LEU A 202 -9.970 -2.409 -12.973 1.00 0.00 H ATOM 915 HD12 LEU A 202 -11.414 -2.156 -13.984 1.00 0.00 H ATOM 916 HD13 LEU A 202 -11.591 -2.709 -12.301 1.00 0.00 H ATOM 917 H LEU A 202 -8.514 -5.668 -13.309 1.00 0.00 H ATOM 918 N LYS A 203 -7.522 -5.620 -16.487 1.00 26.05 N ATOM 919 CA LYS A 203 -6.682 -5.727 -17.680 1.00 27.43 C ATOM 920 C LYS A 203 -6.590 -7.149 -18.176 1.00 27.68 C ATOM 921 O LYS A 203 -6.632 -7.380 -19.385 1.00 28.58 O ATOM 922 CB LYS A 203 -5.288 -5.164 -17.426 1.00 28.13 C ATOM 923 CG LYS A 203 -5.256 -3.655 -17.442 1.00 30.70 C ATOM 924 CD LYS A 203 -3.869 -3.115 -17.121 1.00 35.53 C ATOM 925 CE LYS A 203 -3.759 -1.655 -17.564 1.00 36.31 C ATOM 926 NZ LYS A 203 -2.351 -1.129 -17.520 1.00 40.08 N ATOM 927 HA LYS A 203 -7.160 -5.131 -18.458 1.00 0.00 H ATOM 928 HB2 LYS A 203 -4.945 -5.510 -16.451 1.00 0.00 H ATOM 929 HB3 LYS A 203 -4.616 -5.535 -18.199 1.00 0.00 H ATOM 930 HG2 LYS A 203 -5.550 -3.306 -18.432 1.00 0.00 H ATOM 931 HG3 LYS A 203 -5.961 -3.279 -16.701 1.00 0.00 H ATOM 932 HD2 LYS A 203 -3.696 -3.180 -16.047 1.00 0.00 H ATOM 933 HD3 LYS A 203 -3.120 -3.709 -17.645 1.00 0.00 H ATOM 934 HE2 LYS A 203 -4.378 -1.045 -16.906 1.00 0.00 H ATOM 935 HE3 LYS A 203 -4.128 -1.574 -18.586 1.00 0.00 H ATOM 936 HZ1 LYS A 203 -1.989 -1.191 -16.547 1.00 0.00 H ATOM 937 HZ2 LYS A 203 -1.750 -1.696 -18.152 1.00 0.00 H ATOM 938 HZ3 LYS A 203 -2.343 -0.137 -17.831 1.00 0.00 H ATOM 939 H LYS A 203 -7.092 -5.322 -15.588 1.00 0.00 H ATOM 940 N ALA A 204 -6.476 -8.101 -17.246 1.00 27.37 N ATOM 941 CA ALA A 204 -6.468 -9.522 -17.600 1.00 26.95 C ATOM 942 C ALA A 204 -7.764 -9.983 -18.272 1.00 27.09 C ATOM 943 O ALA A 204 -7.717 -10.751 -19.243 1.00 26.91 O ATOM 944 CB ALA A 204 -6.149 -10.381 -16.381 1.00 26.91 C ATOM 945 HA ALA A 204 -5.678 -9.652 -18.340 1.00 0.00 H ATOM 946 HB1 ALA A 204 -5.167 -10.109 -15.993 1.00 0.00 H ATOM 947 HB2 ALA A 204 -6.904 -10.214 -15.613 1.00 0.00 H ATOM 948 HB3 ALA A 204 -6.149 -11.432 -16.669 1.00 0.00 H ATOM 949 H ALA A 204 -6.391 -7.826 -16.247 1.00 0.00 H ATOM 950 N LEU A 205 -8.914 -9.523 -17.761 1.00 26.56 N ATOM 951 CA LEU A 205 -10.220 -9.912 -18.293 1.00 26.63 C ATOM 952 C LEU A 205 -10.402 -9.482 -19.751 1.00 26.74 C ATOM 953 O LEU A 205 -11.123 -10.138 -20.513 1.00 26.87 O ATOM 954 CB LEU A 205 -11.359 -9.294 -17.479 1.00 26.80 C ATOM 955 CG LEU A 205 -11.776 -9.785 -16.100 1.00 28.76 C ATOM 956 CD1 LEU A 205 -12.988 -8.976 -15.655 1.00 29.21 C ATOM 957 CD2 LEU A 205 -12.103 -11.275 -16.093 1.00 30.56 C ATOM 958 HA LEU A 205 -10.254 -11.000 -18.228 1.00 0.00 H ATOM 959 HB2 LEU A 205 -11.098 -8.243 -17.354 1.00 0.00 H ATOM 960 HB3 LEU A 205 -12.248 -9.374 -18.104 1.00 0.00 H ATOM 961 HG LEU A 205 -10.943 -9.646 -15.410 1.00 0.00 H ATOM 962 HD21 LEU A 205 -12.923 -11.469 -16.784 1.00 0.00 H ATOM 963 HD22 LEU A 205 -11.224 -11.840 -16.403 1.00 0.00 H ATOM 964 HD23 LEU A 205 -12.395 -11.577 -15.087 1.00 0.00 H ATOM 965 HD11 LEU A 205 -12.723 -7.920 -15.613 1.00 0.00 H ATOM 966 HD12 LEU A 205 -13.801 -9.120 -16.367 1.00 0.00 H ATOM 967 HD13 LEU A 205 -13.305 -9.312 -14.667 1.00 0.00 H ATOM 968 H LEU A 205 -8.877 -8.865 -16.956 1.00 0.00 H ATOM 969 N GLY A 206 -9.793 -8.353 -20.108 1.00 26.25 N ATOM 970 CA GLY A 206 -9.874 -7.845 -21.477 1.00 26.87 C ATOM 971 C GLY A 206 -11.117 -7.030 -21.801 1.00 26.94 C ATOM 972 O GLY A 206 -12.089 -6.999 -21.034 1.00 25.97 O ATOM 973 HA3 GLY A 206 -9.846 -8.699 -22.154 1.00 0.00 H ATOM 974 HA2 GLY A 206 -9.003 -7.214 -21.653 1.00 0.00 H ATOM 975 H GLY A 206 -9.249 -7.822 -19.399 1.00 0.00 H ATOM 976 N PRO A 207 -11.077 -6.345 -22.957 1.00 27.13 N ATOM 977 CA PRO A 207 -12.080 -5.364 -23.359 1.00 27.03 C ATOM 978 C PRO A 207 -13.463 -5.933 -23.675 1.00 26.88 C ATOM 979 O PRO A 207 -14.428 -5.167 -23.687 1.00 27.15 O ATOM 980 CB PRO A 207 -11.451 -4.710 -24.595 1.00 27.64 C ATOM 981 CG PRO A 207 -10.544 -5.750 -25.144 1.00 27.32 C ATOM 982 CD PRO A 207 -9.976 -6.432 -23.932 1.00 27.39 C ATOM 983 HA PRO A 207 -12.294 -4.678 -22.540 1.00 0.00 H ATOM 984 HD3 PRO A 207 -9.725 -7.470 -24.148 1.00 0.00 H ATOM 985 HD2 PRO A 207 -9.089 -5.913 -23.569 1.00 0.00 H ATOM 986 HG3 PRO A 207 -9.751 -5.295 -25.738 1.00 0.00 H ATOM 987 HG2 PRO A 207 -11.098 -6.458 -25.761 1.00 0.00 H ATOM 988 HB2 PRO A 207 -12.218 -4.444 -25.323 1.00 0.00 H ATOM 989 HB3 PRO A 207 -10.891 -3.818 -24.316 1.00 0.00 H ATOM 990 N GLY A 208 -13.565 -7.247 -23.886 1.00 25.58 N ATOM 991 CA GLY A 208 -14.862 -7.892 -24.131 1.00 24.74 C ATOM 992 C GLY A 208 -15.700 -8.195 -22.894 1.00 23.83 C ATOM 993 O GLY A 208 -16.853 -8.623 -23.011 1.00 24.92 O ATOM 994 HA3 GLY A 208 -14.675 -8.834 -24.647 1.00 0.00 H ATOM 995 HA2 GLY A 208 -15.445 -7.235 -24.777 1.00 0.00 H ATOM 996 H GLY A 208 -12.704 -7.830 -23.877 1.00 0.00 H ATOM 997 N ALA A 209 -15.134 -7.961 -21.708 1.00 23.20 N ATOM 998 CA ALA A 209 -15.806 -8.271 -20.452 1.00 23.07 C ATOM 999 C ALA A 209 -17.024 -7.393 -20.187 1.00 22.74 C ATOM 1000 O ALA A 209 -17.034 -6.208 -20.521 1.00 22.61 O ATOM 1001 CB ALA A 209 -14.806 -8.143 -19.302 1.00 23.37 C ATOM 1002 HA ALA A 209 -16.176 -9.293 -20.527 1.00 0.00 H ATOM 1003 HB1 ALA A 209 -13.983 -8.840 -19.459 1.00 0.00 H ATOM 1004 HB2 ALA A 209 -14.420 -7.124 -19.269 1.00 0.00 H ATOM 1005 HB3 ALA A 209 -15.305 -8.374 -18.361 1.00 0.00 H ATOM 1006 H ALA A 209 -14.182 -7.544 -21.679 1.00 0.00 H ATOM 1007 N THR A 210 -18.053 -7.965 -19.570 1.00 21.88 N ATOM 1008 CA THR A 210 -19.210 -7.174 -19.171 1.00 22.02 C ATOM 1009 C THR A 210 -19.000 -6.614 -17.775 1.00 21.77 C ATOM 1010 O THR A 210 -18.147 -7.104 -17.024 1.00 21.45 O ATOM 1011 CB THR A 210 -20.502 -7.991 -19.164 1.00 22.19 C ATOM 1012 OG1 THR A 210 -20.385 -9.048 -18.205 1.00 22.92 O ATOM 1013 CG2 THR A 210 -20.797 -8.562 -20.557 1.00 23.23 C ATOM 1014 HA THR A 210 -19.308 -6.374 -19.905 1.00 0.00 H ATOM 1015 HB THR A 210 -21.332 -7.340 -18.889 1.00 0.00 H ATOM 1016 HG1 THR A 210 -21.220 -9.579 -18.198 1.00 0.00 H ATOM 1017 HG23 THR A 210 -20.883 -7.744 -21.273 1.00 0.00 H ATOM 1018 HG21 THR A 210 -19.985 -9.225 -20.856 1.00 0.00 H ATOM 1019 HG22 THR A 210 -21.732 -9.121 -20.529 1.00 0.00 H ATOM 1020 H THR A 210 -18.032 -8.985 -19.370 1.00 0.00 H ATOM 1021 N LEU A 211 -19.776 -5.595 -17.425 1.00 22.32 N ATOM 1022 CA LEU A 211 -19.742 -5.049 -16.069 1.00 23.58 C ATOM 1023 C LEU A 211 -19.985 -6.146 -15.029 1.00 23.69 C ATOM 1024 O LEU A 211 -19.295 -6.208 -14.024 1.00 22.89 O ATOM 1025 CB LEU A 211 -20.755 -3.912 -15.901 1.00 24.24 C ATOM 1026 CG LEU A 211 -20.581 -3.066 -14.634 1.00 25.78 C ATOM 1027 CD1 LEU A 211 -19.162 -2.512 -14.496 1.00 27.69 C ATOM 1028 CD2 LEU A 211 -21.579 -1.930 -14.626 1.00 26.39 C ATOM 1029 HA LEU A 211 -18.746 -4.638 -15.905 1.00 0.00 H ATOM 1030 HB2 LEU A 211 -20.667 -3.251 -16.763 1.00 0.00 H ATOM 1031 HB3 LEU A 211 -21.753 -4.349 -15.881 1.00 0.00 H ATOM 1032 HG LEU A 211 -20.761 -3.721 -13.782 1.00 0.00 H ATOM 1033 HD21 LEU A 211 -21.419 -1.301 -15.502 1.00 0.00 H ATOM 1034 HD22 LEU A 211 -22.590 -2.336 -14.649 1.00 0.00 H ATOM 1035 HD23 LEU A 211 -21.445 -1.337 -13.721 1.00 0.00 H ATOM 1036 HD11 LEU A 211 -18.453 -3.339 -14.450 1.00 0.00 H ATOM 1037 HD12 LEU A 211 -18.934 -1.883 -15.356 1.00 0.00 H ATOM 1038 HD13 LEU A 211 -19.091 -1.921 -13.583 1.00 0.00 H ATOM 1039 H LEU A 211 -20.419 -5.178 -18.128 1.00 0.00 H ATOM 1040 N GLU A 212 -20.946 -7.029 -15.290 1.00 24.49 N ATOM 1041 CA GLU A 212 -21.232 -8.115 -14.351 1.00 26.36 C ATOM 1042 C GLU A 212 -20.004 -9.012 -14.155 1.00 24.95 C ATOM 1043 O GLU A 212 -19.672 -9.388 -13.026 1.00 25.16 O ATOM 1044 CB GLU A 212 -22.477 -8.902 -14.783 1.00 26.66 C ATOM 1045 CG GLU A 212 -23.769 -8.160 -14.421 1.00 30.10 C ATOM 1046 CD GLU A 212 -25.033 -8.673 -15.114 1.00 31.22 C ATOM 1047 OE1 GLU A 212 -24.996 -9.695 -15.848 1.00 36.80 O ATOM 1048 OE2 GLU A 212 -26.085 -8.031 -14.917 1.00 36.48 O ATOM 1049 HA GLU A 212 -21.459 -7.679 -13.378 1.00 0.00 H ATOM 1050 HB2 GLU A 212 -22.445 -9.050 -15.862 1.00 0.00 H ATOM 1051 HB3 GLU A 212 -22.474 -9.871 -14.284 1.00 0.00 H ATOM 1052 HG2 GLU A 212 -23.916 -8.245 -13.344 1.00 0.00 H ATOM 1053 HG3 GLU A 212 -23.641 -7.111 -14.687 1.00 0.00 H ATOM 1054 H GLU A 212 -21.498 -6.947 -16.168 1.00 0.00 H ATOM 1055 N GLU A 213 -19.302 -9.310 -15.248 1.00 23.95 N ATOM 1056 CA GLU A 213 -18.061 -10.091 -15.187 1.00 23.55 C ATOM 1057 C GLU A 213 -16.941 -9.381 -14.431 1.00 23.00 C ATOM 1058 O GLU A 213 -16.190 -10.006 -13.664 1.00 22.30 O ATOM 1059 CB GLU A 213 -17.623 -10.495 -16.591 1.00 24.55 C ATOM 1060 CG GLU A 213 -18.507 -11.589 -17.180 1.00 26.59 C ATOM 1061 CD GLU A 213 -18.478 -11.668 -18.698 1.00 25.88 C ATOM 1062 OE1 GLU A 213 -17.899 -10.783 -19.367 1.00 28.42 O ATOM 1063 OE2 GLU A 213 -19.065 -12.632 -19.236 1.00 29.70 O ATOM 1064 HA GLU A 213 -18.277 -10.992 -14.613 1.00 0.00 H ATOM 1065 HB2 GLU A 213 -17.670 -9.620 -17.239 1.00 0.00 H ATOM 1066 HB3 GLU A 213 -16.596 -10.859 -16.547 1.00 0.00 H ATOM 1067 HG2 GLU A 213 -18.175 -12.548 -16.782 1.00 0.00 H ATOM 1068 HG3 GLU A 213 -19.534 -11.403 -16.867 1.00 0.00 H ATOM 1069 H GLU A 213 -19.644 -8.979 -16.173 1.00 0.00 H ATOM 1070 N MET A 214 -16.835 -8.075 -14.629 1.00 21.66 N ATOM 1071 CA MET A 214 -15.842 -7.294 -13.885 1.00 22.54 C ATOM 1072 C MET A 214 -16.115 -7.302 -12.388 1.00 22.00 C ATOM 1073 O MET A 214 -15.187 -7.424 -11.578 1.00 21.52 O ATOM 1074 CB MET A 214 -15.819 -5.856 -14.376 1.00 22.09 C ATOM 1075 CG MET A 214 -15.283 -5.689 -15.759 1.00 22.59 C ATOM 1076 SD MET A 214 -15.434 -3.945 -16.197 1.00 27.29 S ATOM 1077 CE MET A 214 -14.675 -4.002 -17.796 1.00 27.59 C ATOM 1078 HA MET A 214 -14.874 -7.764 -14.061 1.00 0.00 H ATOM 1079 HB2 MET A 214 -16.839 -5.471 -14.356 1.00 0.00 H ATOM 1080 HB3 MET A 214 -15.198 -5.272 -13.696 1.00 0.00 H ATOM 1081 HG2 MET A 214 -15.857 -6.299 -16.457 1.00 0.00 H ATOM 1082 HG3 MET A 214 -14.236 -5.991 -15.791 1.00 0.00 H ATOM 1083 HE1 MET A 214 -13.649 -4.357 -17.697 1.00 0.00 H ATOM 1084 HE2 MET A 214 -15.236 -4.681 -18.439 1.00 0.00 H ATOM 1085 HE3 MET A 214 -14.675 -3.003 -18.232 1.00 0.00 H ATOM 1086 H MET A 214 -17.458 -7.602 -15.314 1.00 0.00 H ATOM 1087 N MET A 215 -17.388 -7.180 -12.025 1.00 22.44 N ATOM 1088 CA MET A 215 -17.799 -7.196 -10.629 1.00 23.36 C ATOM 1089 C MET A 215 -17.434 -8.523 -9.997 1.00 23.35 C ATOM 1090 O MET A 215 -16.866 -8.561 -8.907 1.00 23.59 O ATOM 1091 CB MET A 215 -19.300 -6.981 -10.519 1.00 23.93 C ATOM 1092 CG MET A 215 -19.762 -5.621 -10.965 1.00 25.33 C ATOM 1093 SD MET A 215 -19.185 -4.341 -9.851 1.00 29.16 S ATOM 1094 CE MET A 215 -19.904 -2.920 -10.662 1.00 27.43 C ATOM 1095 HA MET A 215 -17.283 -6.391 -10.107 1.00 0.00 H ATOM 1096 HB2 MET A 215 -19.799 -7.730 -11.133 1.00 0.00 H ATOM 1097 HB3 MET A 215 -19.590 -7.116 -9.477 1.00 0.00 H ATOM 1098 HG2 MET A 215 -20.852 -5.606 -10.990 1.00 0.00 H ATOM 1099 HG3 MET A 215 -19.374 -5.424 -11.964 1.00 0.00 H ATOM 1100 HE1 MET A 215 -19.512 -2.845 -11.676 1.00 0.00 H ATOM 1101 HE2 MET A 215 -20.988 -3.033 -10.697 1.00 0.00 H ATOM 1102 HE3 MET A 215 -19.649 -2.018 -10.106 1.00 0.00 H ATOM 1103 H MET A 215 -18.113 -7.070 -12.762 1.00 0.00 H ATOM 1104 N THR A 216 -17.739 -9.615 -10.688 1.00 23.29 N ATOM 1105 CA THR A 216 -17.429 -10.939 -10.157 1.00 24.43 C ATOM 1106 C THR A 216 -15.913 -11.137 -9.957 1.00 24.02 C ATOM 1107 O THR A 216 -15.471 -11.698 -8.936 1.00 25.52 O ATOM 1108 CB THR A 216 -18.018 -12.027 -11.074 1.00 24.19 C ATOM 1109 OG1 THR A 216 -19.450 -11.925 -11.050 1.00 27.34 O ATOM 1110 CG2 THR A 216 -17.576 -13.424 -10.629 1.00 26.13 C ATOM 1111 HA THR A 216 -17.890 -11.024 -9.173 1.00 0.00 H ATOM 1112 HB THR A 216 -17.651 -11.875 -12.089 1.00 0.00 H ATOM 1113 HG1 THR A 216 -19.839 -12.621 -11.637 1.00 0.00 H ATOM 1114 HG23 THR A 216 -16.488 -13.484 -10.653 1.00 0.00 H ATOM 1115 HG21 THR A 216 -17.929 -13.610 -9.615 1.00 0.00 H ATOM 1116 HG22 THR A 216 -17.997 -14.169 -11.304 1.00 0.00 H ATOM 1117 H THR A 216 -18.202 -9.526 -11.615 1.00 0.00 H ATOM 1118 N ALA A 217 -15.123 -10.649 -10.907 1.00 23.30 N ATOM 1119 CA ALA A 217 -13.672 -10.805 -10.862 1.00 22.72 C ATOM 1120 C ALA A 217 -13.032 -9.996 -9.734 1.00 22.79 C ATOM 1121 O ALA A 217 -12.011 -10.396 -9.187 1.00 23.00 O ATOM 1122 CB ALA A 217 -13.055 -10.423 -12.192 1.00 23.23 C ATOM 1123 HA ALA A 217 -13.473 -11.857 -10.660 1.00 0.00 H ATOM 1124 HB1 ALA A 217 -13.456 -11.066 -12.975 1.00 0.00 H ATOM 1125 HB2 ALA A 217 -13.293 -9.383 -12.416 1.00 0.00 H ATOM 1126 HB3 ALA A 217 -11.973 -10.546 -12.138 1.00 0.00 H ATOM 1127 H ALA A 217 -15.551 -10.141 -11.707 1.00 0.00 H ATOM 1128 N CYS A 218 -13.625 -8.850 -9.412 1.00 22.01 N ATOM 1129 CA CYS A 218 -13.048 -7.978 -8.390 1.00 21.98 C ATOM 1130 C CYS A 218 -13.666 -8.178 -7.004 1.00 22.77 C ATOM 1131 O CYS A 218 -13.267 -7.505 -6.055 1.00 21.50 O ATOM 1132 CB CYS A 218 -13.171 -6.510 -8.806 1.00 21.89 C ATOM 1133 SG CYS A 218 -12.176 -6.086 -10.219 1.00 22.66 S ATOM 1134 HA CYS A 218 -11.997 -8.255 -8.312 1.00 0.00 H ATOM 1135 HB2 CYS A 218 -12.862 -5.886 -7.967 1.00 0.00 H ATOM 1136 HB3 CYS A 218 -14.215 -6.305 -9.045 1.00 0.00 H ATOM 1137 HG CYS A 218 -12.351 -4.750 -10.519 1.00 0.00 H ATOM 1138 H CYS A 218 -14.506 -8.572 -9.891 1.00 0.00 H ATOM 1139 N GLN A 219 -14.641 -9.082 -6.889 1.00 24.14 N ATOM 1140 CA GLN A 219 -15.284 -9.362 -5.601 1.00 26.51 C ATOM 1141 C GLN A 219 -14.244 -9.712 -4.537 1.00 25.87 C ATOM 1142 O GLN A 219 -13.432 -10.617 -4.718 1.00 25.80 O ATOM 1143 CB GLN A 219 -16.324 -10.481 -5.735 1.00 26.70 C ATOM 1144 CG GLN A 219 -17.315 -10.594 -4.580 1.00 29.50 C ATOM 1145 CD GLN A 219 -18.522 -11.483 -4.898 1.00 30.72 C ATOM 1146 OE1 GLN A 219 -18.578 -12.142 -5.952 1.00 36.36 O ATOM 1147 NE2 GLN A 219 -19.498 -11.502 -3.986 1.00 34.66 N ATOM 1148 HA GLN A 219 -15.803 -8.458 -5.284 1.00 0.00 H ATOM 1149 HB2 GLN A 219 -16.891 -10.306 -6.649 1.00 0.00 H ATOM 1150 HB3 GLN A 219 -15.791 -11.428 -5.815 1.00 0.00 H ATOM 1151 HG2 GLN A 219 -16.795 -11.012 -3.718 1.00 0.00 H ATOM 1152 HG3 GLN A 219 -17.676 -9.595 -4.335 1.00 0.00 H ATOM 1153 HE22 GLN A 219 -19.410 -10.935 -3.118 1.00 0.00 H ATOM 1154 HE21 GLN A 219 -20.346 -12.083 -4.144 1.00 0.00 H ATOM 1155 H GLN A 219 -14.953 -9.601 -7.734 1.00 0.00 H ATOM 1156 N GLY A 220 -14.262 -8.966 -3.438 1.00 25.64 N ATOM 1157 CA GLY A 220 -13.393 -9.260 -2.301 1.00 25.27 C ATOM 1158 C GLY A 220 -11.982 -8.713 -2.391 1.00 25.28 C ATOM 1159 O GLY A 220 -11.191 -8.861 -1.451 1.00 25.48 O ATOM 1160 HA3 GLY A 220 -13.326 -10.343 -2.202 1.00 0.00 H ATOM 1161 HA2 GLY A 220 -13.858 -8.843 -1.408 1.00 0.00 H ATOM 1162 H GLY A 220 -14.910 -8.154 -3.386 1.00 0.00 H ATOM 1163 N VAL A 221 -11.653 -8.067 -3.503 1.00 24.52 N ATOM 1164 CA VAL A 221 -10.374 -7.385 -3.614 1.00 25.52 C ATOM 1165 C VAL A 221 -10.442 -6.133 -2.737 1.00 26.35 C ATOM 1166 O VAL A 221 -11.321 -5.278 -2.912 1.00 26.61 O ATOM 1167 CB VAL A 221 -10.045 -7.002 -5.074 1.00 25.27 C ATOM 1168 CG1 VAL A 221 -8.754 -6.229 -5.146 1.00 25.42 C ATOM 1169 CG2 VAL A 221 -9.986 -8.254 -5.941 1.00 26.45 C ATOM 1170 HA VAL A 221 -9.578 -8.053 -3.283 1.00 0.00 H ATOM 1171 HB VAL A 221 -10.837 -6.357 -5.455 1.00 0.00 H ATOM 1172 HG11 VAL A 221 -8.844 -5.318 -4.555 1.00 0.00 H ATOM 1173 HG12 VAL A 221 -7.943 -6.841 -4.751 1.00 0.00 H ATOM 1174 HG13 VAL A 221 -8.544 -5.971 -6.184 1.00 0.00 H ATOM 1175 HG21 VAL A 221 -9.212 -8.921 -5.562 1.00 0.00 H ATOM 1176 HG22 VAL A 221 -10.951 -8.761 -5.911 1.00 0.00 H ATOM 1177 HG23 VAL A 221 -9.753 -7.973 -6.968 1.00 0.00 H ATOM 1178 H VAL A 221 -12.317 -8.049 -4.303 1.00 0.00 H ATOM 1179 N GLY A 222 -9.503 -6.045 -1.802 1.00 26.97 N ATOM 1180 CA GLY A 222 -9.451 -4.957 -0.841 1.00 28.58 C ATOM 1181 C GLY A 222 -10.157 -5.345 0.439 1.00 29.54 C ATOM 1182 O GLY A 222 -9.995 -4.684 1.471 1.00 29.51 O ATOM 1183 HA3 GLY A 222 -9.937 -4.079 -1.267 1.00 0.00 H ATOM 1184 HA2 GLY A 222 -8.410 -4.723 -0.620 1.00 0.00 H ATOM 1185 H GLY A 222 -8.775 -6.786 -1.756 1.00 0.00 H ATOM 1186 N GLY A 223 -10.932 -6.424 0.355 1.00 30.28 N ATOM 1187 CA GLY A 223 -11.939 -6.769 1.354 1.00 31.75 C ATOM 1188 C GLY A 223 -11.429 -7.879 2.237 1.00 31.80 C ATOM 1189 O GLY A 223 -10.232 -7.906 2.541 1.00 33.17 O ATOM 1190 HA3 GLY A 223 -12.849 -7.096 0.852 1.00 0.00 H ATOM 1191 HA2 GLY A 223 -12.157 -5.893 1.965 1.00 0.00 H ATOM 1192 H GLY A 223 -10.814 -7.054 -0.464 1.00 0.00 H ATOM 1193 N PRO A 224 -12.317 -8.808 2.652 1.00 31.71 N ATOM 1194 CA PRO A 224 -13.765 -8.905 2.377 1.00 31.38 C ATOM 1195 C PRO A 224 -14.671 -7.900 3.117 1.00 31.15 C ATOM 1196 O PRO A 224 -15.884 -7.901 2.891 1.00 31.78 O ATOM 1197 CB PRO A 224 -14.111 -10.330 2.826 1.00 31.83 C ATOM 1198 CG PRO A 224 -13.111 -10.644 3.879 1.00 31.95 C ATOM 1199 CD PRO A 224 -11.838 -9.956 3.449 1.00 31.56 C ATOM 1200 HA PRO A 224 -13.948 -8.673 1.328 1.00 0.00 H ATOM 1201 HD3 PRO A 224 -11.266 -9.619 4.313 1.00 0.00 H ATOM 1202 HD2 PRO A 224 -11.221 -10.620 2.844 1.00 0.00 H ATOM 1203 HG3 PRO A 224 -12.957 -11.721 3.949 1.00 0.00 H ATOM 1204 HG2 PRO A 224 -13.442 -10.262 4.845 1.00 0.00 H ATOM 1205 HB2 PRO A 224 -15.122 -10.372 3.231 1.00 0.00 H ATOM 1206 HB3 PRO A 224 -14.025 -11.028 1.993 1.00 0.00 H ATOM 1207 N GLY A 225 -14.099 -7.064 3.976 1.00 30.38 N ATOM 1208 CA GLY A 225 -14.857 -5.967 4.604 1.00 30.16 C ATOM 1209 C GLY A 225 -15.899 -6.395 5.623 1.00 29.95 C ATOM 1210 O GLY A 225 -16.950 -5.764 5.754 1.00 29.16 O ATOM 1211 HA3 GLY A 225 -15.366 -5.414 3.814 1.00 0.00 H ATOM 1212 HA2 GLY A 225 -14.146 -5.310 5.105 1.00 0.00 H ATOM 1213 H GLY A 225 -13.093 -7.186 4.211 1.00 0.00 H ATOM 1214 N HIS A 226 -15.612 -7.480 6.333 1.00 30.07 N ATOM 1215 CA HIS A 226 -16.450 -7.914 7.452 1.00 30.46 C ATOM 1216 C HIS A 226 -15.965 -7.232 8.721 1.00 30.20 C ATOM 1217 O HIS A 226 -14.785 -6.922 8.856 1.00 29.74 O ATOM 1218 CB HIS A 226 -16.380 -9.436 7.634 1.00 31.31 C ATOM 1219 CG HIS A 226 -16.900 -10.214 6.466 1.00 33.36 C ATOM 1220 ND1 HIS A 226 -16.114 -11.091 5.749 1.00 34.81 N ATOM 1221 CD2 HIS A 226 -18.128 -10.255 5.892 1.00 35.31 C ATOM 1222 CE1 HIS A 226 -16.832 -11.636 4.784 1.00 35.77 C ATOM 1223 NE2 HIS A 226 -18.057 -11.145 4.847 1.00 36.78 N ATOM 1224 HA HIS A 226 -17.485 -7.642 7.243 1.00 0.00 H ATOM 1225 HB2 HIS A 226 -15.339 -9.715 7.795 1.00 0.00 H ATOM 1226 HB3 HIS A 226 -16.967 -9.704 8.513 1.00 0.00 H ATOM 1227 HD2 HIS A 226 -19.006 -9.689 6.201 1.00 0.00 H ATOM 1228 HE1 HIS A 226 -16.475 -12.367 4.059 1.00 0.00 H ATOM 1229 H HIS A 226 -14.769 -8.037 6.087 1.00 0.00 H ATOM 1230 N LYS A 227 -16.867 -6.991 9.665 1.00 30.23 N ATOM 1231 CA LYS A 227 -16.437 -6.452 10.946 1.00 31.06 C ATOM 1232 C LYS A 227 -15.534 -7.488 11.617 1.00 31.90 C ATOM 1233 O LYS A 227 -15.794 -8.685 11.557 1.00 32.48 O ATOM 1234 CB LYS A 227 -17.628 -6.111 11.842 1.00 31.00 C ATOM 1235 CG LYS A 227 -17.247 -5.313 13.092 1.00 31.37 C ATOM 1236 CD LYS A 227 -18.460 -5.067 13.978 1.00 31.44 C ATOM 1237 CE LYS A 227 -18.103 -4.235 15.213 1.00 32.99 C ATOM 1238 NZ LYS A 227 -17.008 -4.802 16.048 1.00 34.89 N ATOM 1239 HA LYS A 227 -15.891 -5.522 10.783 1.00 0.00 H ATOM 1240 HB2 LYS A 227 -18.339 -5.523 11.261 1.00 0.00 H ATOM 1241 HB3 LYS A 227 -18.100 -7.042 12.158 1.00 0.00 H ATOM 1242 HG2 LYS A 227 -16.501 -5.871 13.657 1.00 0.00 H ATOM 1243 HG3 LYS A 227 -16.828 -4.354 12.788 1.00 0.00 H ATOM 1244 HD2 LYS A 227 -19.217 -4.536 13.401 1.00 0.00 H ATOM 1245 HD3 LYS A 227 -18.861 -6.027 14.303 1.00 0.00 H ATOM 1246 HE2 LYS A 227 -18.994 -4.149 15.834 1.00 0.00 H ATOM 1247 HE3 LYS A 227 -17.797 -3.244 14.879 1.00 0.00 H ATOM 1248 HZ1 LYS A 227 -17.286 -5.744 16.389 1.00 0.00 H ATOM 1249 HZ2 LYS A 227 -16.143 -4.880 15.476 1.00 0.00 H ATOM 1250 HZ3 LYS A 227 -16.833 -4.176 16.860 1.00 0.00 H ATOM 1251 H LYS A 227 -17.873 -7.186 9.490 1.00 0.00 H ATOM 1252 N ALA A 228 -14.459 -7.020 12.230 1.00 33.09 N ATOM 1253 CA ALA A 228 -13.520 -7.924 12.887 1.00 34.15 C ATOM 1254 C ALA A 228 -14.138 -8.627 14.108 1.00 34.49 C ATOM 1255 O ALA A 228 -14.601 -7.985 15.047 1.00 35.57 O ATOM 1256 CB ALA A 228 -12.247 -7.183 13.270 1.00 34.59 C ATOM 1257 HA ALA A 228 -13.269 -8.706 12.170 1.00 0.00 H ATOM 1258 HB1 ALA A 228 -11.780 -6.777 12.372 1.00 0.00 H ATOM 1259 HB2 ALA A 228 -12.493 -6.369 13.952 1.00 0.00 H ATOM 1260 HB3 ALA A 228 -11.559 -7.873 13.758 1.00 0.00 H ATOM 1261 H ALA A 228 -14.281 -5.995 12.244 1.00 0.00 H TER 1262 ALA A 228 HETATM 1263 O HOH 1 -14.495 17.800 -16.060 1.00 23.13 O HETATM 1264 O HOH 2 -12.616 9.578 -6.030 1.00 20.50 O HETATM 1265 O HOH 3 -16.255 17.606 -19.903 1.00 21.31 O HETATM 1266 O HOH 4 -22.738 7.037 -24.553 1.00 24.43 O HETATM 1267 O HOH 5 -15.274 -4.207 -21.147 1.00 21.79 O HETATM 1268 O HOH 6 -17.125 4.297 -1.671 1.00 23.73 O HETATM 1269 O HOH 7 -13.394 -4.974 -4.998 1.00 23.36 O HETATM 1270 O HOH 8 -18.478 -10.997 -22.119 1.00 26.11 O HETATM 1271 O HOH 9 -17.912 -3.606 4.373 1.00 28.85 O HETATM 1272 O HOH 10 -12.523 1.398 -18.617 1.00 26.37 O HETATM 1273 O HOH 11 -16.596 -5.074 -5.592 1.00 25.31 O HETATM 1274 O HOH 12 -11.986 -5.756 -18.458 1.00 29.00 O HETATM 1275 O HOH 13 -12.107 8.400 -13.380 1.00 23.54 O HETATM 1276 O HOH 14 -17.524 10.381 -5.598 1.00 24.71 O HETATM 1277 O HOH 15 -11.054 -11.046 0.007 1.00 28.05 O HETATM 1278 O HOH 16 -19.051 15.400 -13.620 1.00 28.37 O HETATM 1279 O HOH 17 -17.967 -7.067 -6.781 1.00 34.29 O HETATM 1280 O HOH 18 -21.111 -4.625 -19.956 1.00 29.71 O HETATM 1281 O HOH 19 -19.108 -5.137 -22.262 1.00 29.73 O HETATM 1282 O HOH 20 -16.985 6.681 -28.297 1.00 26.87 O HETATM 1283 O HOH 21 -7.427 4.354 -7.854 1.00 25.67 O HETATM 1284 O HOH 22 -25.534 11.995 -19.876 1.00 29.90 O HETATM 1285 O HOH 23 -18.357 18.775 -16.847 1.00 28.53 O HETATM 1286 O HOH 24 -19.583 10.280 -7.636 1.00 30.90 O HETATM 1287 O HOH 25 -22.190 12.045 -29.037 1.00 32.34 O HETATM 1288 O HOH 26 -23.179 -6.642 -17.113 1.00 29.12 O HETATM 1289 O HOH 27 -12.855 -3.346 -19.942 1.00 36.03 O HETATM 1290 O HOH 28 -18.361 21.202 -21.099 1.00 31.84 O HETATM 1291 O HOH 29 -7.748 -3.115 -2.633 1.00 35.65 O HETATM 1292 O HOH 30 -12.418 -7.729 9.171 1.00 31.38 O HETATM 1293 O HOH 31 -10.263 -12.352 -10.332 1.00 27.48 O HETATM 1294 O HOH 32 -10.466 -2.683 -3.661 1.00 28.68 O HETATM 1295 O HOH 33 -3.208 -7.611 -15.820 1.00 39.79 O HETATM 1296 O HOH 34 -16.037 -6.325 -3.028 1.00 34.19 O HETATM 1297 O HOH 35 -20.818 4.079 -4.246 1.00 32.77 O HETATM 1298 O HOH 36 -13.109 -3.068 1.471 1.00 36.94 O HETATM 1299 O HOH 37 -4.680 4.306 -7.552 1.00 33.19 O HETATM 1300 O HOH 38 -15.715 -12.805 -13.971 1.00 33.37 O HETATM 1301 O HOH 39 -24.088 13.739 -27.414 1.00 32.67 O HETATM 1302 O HOH 40 -12.329 -9.882 -23.052 1.00 38.43 O HETATM 1303 O HOH 41 -16.982 12.800 -5.583 1.00 39.03 O HETATM 1304 O HOH 42 -13.135 20.315 -10.931 1.00 53.51 O HETATM 1305 O HOH 43 -13.796 -5.687 -1.844 1.00 41.22 O HETATM 1306 O HOH 44 -20.585 -13.084 -13.431 1.00 43.08 O HETATM 1307 O HOH 45 -11.586 -11.641 -6.799 1.00 33.84 O HETATM 1308 O HOH 46 -4.319 2.770 -9.852 1.00 30.04 O HETATM 1309 O HOH 47 -7.608 2.056 -19.856 1.00 36.78 O HETATM 1310 O HOH 48 -25.958 4.135 -9.154 1.00 45.97 O HETATM 1311 O HOH 49 -7.974 10.834 -14.078 1.00 37.38 O HETATM 1312 O HOH 50 -5.009 -8.106 -8.109 1.00 36.52 O HETATM 1313 O HOH 51 -7.360 -7.529 -1.356 1.00 33.84 O HETATM 1314 O HOH 52 -24.081 0.202 -5.932 1.00 42.22 O HETATM 1315 O HOH 53 -25.368 11.915 -10.928 1.00 36.68 O HETATM 1316 O HOH 54 -5.926 -5.448 -2.283 1.00 49.74 O HETATM 1317 O HOH 55 -4.512 4.839 -11.867 1.00 48.15 O HETATM 1318 O HOH 56 -6.559 4.728 -4.487 1.00 35.82 O HETATM 1319 O HOH 57 -1.965 1.674 -10.735 1.00 38.49 O HETATM 1320 O HOH 58 -24.497 15.597 -19.581 1.00 35.62 O HETATM 1321 O HOH 59 -7.971 -6.006 3.649 1.00 45.29 O HETATM 1322 O HOH 60 -23.593 17.094 -21.597 1.00 42.10 O HETATM 1323 O HOH 61 -2.635 5.614 -13.501 1.00 36.40 O HETATM 1324 O HOH 62 -5.627 7.190 -2.350 1.00 39.70 O HETATM 1325 O HOH 63 -12.851 -12.941 0.070 1.00 39.13 O HETATM 1326 O HOH 64 -14.143 -5.449 15.151 1.00 43.45 O HETATM 1327 O HOH 65 -22.479 -10.534 -17.813 1.00 42.85 O HETATM 1328 O HOH 66 -11.524 -6.502 5.159 1.00 46.51 O HETATM 1329 O HOH 67 -12.738 -8.909 6.779 1.00 30.11 O HETATM 1330 O HOH 68 -21.067 19.107 -14.106 1.00 40.42 O HETATM 1331 O HOH 69 -15.592 -2.075 2.344 1.00 36.35 O HETATM 1332 O HOH 70 -13.703 -4.766 11.972 1.00 48.06 O HETATM 1333 O HOH 71 -22.021 4.431 -24.356 1.00 20.84 O HETATM 1334 O HOH 72 -22.317 -0.992 -8.086 1.00 24.90 O HETATM 1335 O HOH 73 -22.678 -3.786 -8.113 1.00 28.28 O HETATM 1336 O HOH 74 -16.444 -1.641 -24.405 1.00 26.28 O HETATM 1337 O HOH 75 -14.515 -0.354 -19.472 1.00 36.95 O HETATM 1338 O HOH 76 -23.893 -7.429 -10.525 1.00 37.78 O HETATM 1339 O HOH 77 -25.148 -3.975 -20.750 1.00 41.53 O HETATM 1340 O HOH 78 -29.268 -0.402 -23.875 1.00 41.70 O HETATM 1341 N ILE A 79 -16.167 -1.567 -21.258 1.00 0.24 N HETATM 1342 CA ILE A 79 -17.634 -1.313 -21.187 1.00 0.07 C HETATM 1343 C ILE A 79 -17.897 0.136 -21.576 1.00 0.23 C HETATM 1344 O ILE A 79 -16.963 0.947 -21.575 1.00 -0.39 O HETATM 1345 N ILE A 79 -19.150 0.440 -21.911 1.00 -0.26 N HETATM 1346 CA ILE A 79 -19.538 1.762 -22.405 1.00 0.16 C HETATM 1347 C ILE A 79 -20.458 2.474 -21.420 1.00 0.21 C HETATM 1348 O ILE A 79 -20.912 1.890 -20.431 1.00 -0.39 O HETATM 1349 N ILE A 79 -20.747 3.739 -21.694 1.00 -0.26 N HETATM 1350 CA ILE A 79 -21.648 4.481 -20.826 1.00 0.14 C HETATM 1351 C ILE A 79 -23.053 3.875 -20.854 1.00 0.21 C HETATM 1352 O ILE A 79 -23.709 3.786 -19.807 1.00 -0.39 O HETATM 1353 N ILE A 79 -23.499 3.446 -22.038 1.00 -0.26 N HETATM 1354 CA ILE A 79 -24.773 2.722 -22.159 1.00 0.13 C HETATM 1355 C ILE A 79 -24.861 1.477 -21.274 1.00 0.20 C HETATM 1356 O ILE A 79 -25.935 1.161 -20.768 1.00 -0.39 O HETATM 1357 N ILE A 79 -23.743 0.774 -21.085 1.00 -0.26 N HETATM 1358 CA ILE A 79 -23.696 -0.376 -20.162 1.00 0.14 C HETATM 1359 C ILE A 79 -23.971 0.070 -18.725 1.00 0.21 C HETATM 1360 O ILE A 79 -24.685 -0.625 -17.996 1.00 -0.39 O HETATM 1361 N ILE A 79 -23.426 1.223 -18.324 1.00 -0.26 N HETATM 1362 CA ILE A 79 -23.695 1.744 -16.977 1.00 0.13 C HETATM 1363 C ILE A 79 -25.156 2.130 -16.843 1.00 0.20 C HETATM 1364 O ILE A 79 -25.780 1.823 -15.832 1.00 -0.39 O HETATM 1365 N ILE A 79 -25.698 2.769 -17.875 1.00 -0.26 N HETATM 1366 CA ILE A 79 -27.107 3.156 -17.861 1.00 0.13 C HETATM 1367 C ILE A 79 -28.024 1.943 -17.708 1.00 0.20 C HETATM 1368 O ILE A 79 -29.007 1.994 -16.941 1.00 -0.39 O HETATM 1369 N ILE A 79 -27.704 0.863 -18.422 1.00 -0.26 N HETATM 1370 CA ILE A 79 -28.490 -0.384 -18.345 1.00 0.14 C HETATM 1371 C ILE A 79 -28.356 -1.018 -16.961 1.00 0.21 C HETATM 1372 O ILE A 79 -29.317 -1.555 -16.397 1.00 -0.39 O HETATM 1373 N ILE A 79 -27.140 -0.977 -16.419 1.00 -0.26 N HETATM 1374 CA ILE A 79 -26.847 -1.667 -15.170 1.00 0.14 C HETATM 1375 C ILE A 79 -27.593 -1.006 -14.013 1.00 0.21 C HETATM 1376 O ILE A 79 -28.215 -1.691 -13.179 1.00 -0.39 O HETATM 1377 N ILE A 79 -27.556 0.319 -13.973 1.00 -0.26 N HETATM 1378 CA ILE A 79 -28.138 1.053 -12.842 1.00 0.14 C HETATM 1379 C ILE A 79 -29.556 1.563 -13.084 1.00 0.21 C HETATM 1380 O ILE A 79 -30.235 1.999 -12.139 1.00 -0.39 O HETATM 1381 N ILE A 79 -29.986 1.512 -14.345 1.00 -0.27 N HETATM 1382 CA ILE A 79 -31.291 2.036 -14.778 1.00 0.12 C HETATM 1383 C ILE A 79 -32.404 1.001 -14.778 1.00 0.20 C HETATM 1384 O ILE A 79 -32.368 0.065 -13.967 1.00 -0.39 O HETATM 1385 N ILE A 79 -33.392 1.124 -15.702 1.00 -0.26 N HETATM 1386 CA ILE A 79 -33.554 1.896 -16.955 1.00 0.10 C HETATM 1387 C ILE A 79 -32.746 3.188 -17.125 1.00 0.06 C HETATM 1388 O ILE A 79 -31.938 3.305 -18.065 1.00 -0.57 O HETATM 1389 OXT ILE A 79 -32.893 4.153 -16.361 1.00 -0.57 O HETATM 1390 CB ILE A 79 -35.053 2.202 -16.966 1.00 -0.02 C HETATM 1391 CG ILE A 79 -35.668 0.993 -16.324 1.00 -0.03 C HETATM 1392 CD ILE A 79 -34.621 0.362 -15.407 1.00 0.04 C HETATM 1393 H92 ILE A 79 -34.907 0.473 -14.351 1.00 0.05 H HETATM 1394 H93 ILE A 79 -34.487 -0.705 -15.641 1.00 0.05 H HETATM 1395 H90 ILE A 79 -35.970 0.272 -17.098 1.00 0.03 H HETATM 1396 H91 ILE A 79 -36.549 1.290 -15.736 1.00 0.03 H HETATM 1397 H88 ILE A 79 -35.420 2.329 -17.995 1.00 0.03 H HETATM 1398 H89 ILE A 79 -35.272 3.109 -16.384 1.00 0.03 H HETATM 1399 H87 ILE A 79 -33.295 1.242 -17.801 1.00 0.07 H HETATM 1400 H85 ILE A 79 -31.184 2.429 -15.800 1.00 0.08 H HETATM 1401 H86 ILE A 79 -31.578 2.853 -14.099 1.00 0.08 H HETATM 1402 H84 ILE A 79 -29.391 1.096 -15.032 1.00 0.19 H HETATM 1403 CB ILE A 79 -27.226 2.216 -12.443 1.00 0.02 C HETATM 1404 CG ILE A 79 -25.918 1.777 -11.842 1.00 -0.05 C HETATM 1405 CD1 ILE A 79 -24.717 1.979 -12.528 1.00 -0.07 C HETATM 1406 CE1 ILE A 79 -23.506 1.566 -11.986 1.00 -0.04 C HETATM 1407 CZ ILE A 79 -23.469 0.958 -10.750 1.00 0.08 C HETATM 1408 CE2 ILE A 79 -24.647 0.733 -10.039 1.00 -0.04 C HETATM 1409 CD2 ILE A 79 -25.867 1.145 -10.592 1.00 -0.07 C HETATM 1410 H80 ILE A 79 -26.786 0.972 -10.044 1.00 0.05 H HETATM 1411 H82 ILE A 79 -24.620 0.246 -9.071 1.00 0.05 H HETATM 1412 OH ILE A 79 -22.245 0.564 -10.241 1.00 -0.34 O HETATM 1413 H83 ILE A 79 -22.247 -0.377 -10.107 1.00 0.25 H HETATM 1414 H81 ILE A 79 -22.586 1.723 -12.538 1.00 0.05 H HETATM 1415 H79 ILE A 79 -24.730 2.465 -13.497 1.00 0.05 H HETATM 1416 H77 ILE A 79 -27.756 2.837 -11.706 1.00 0.05 H HETATM 1417 H78 ILE A 79 -27.013 2.814 -13.341 1.00 0.05 H HETATM 1418 H76 ILE A 79 -28.186 0.354 -11.994 1.00 0.08 H HETATM 1419 H75 ILE A 79 -27.127 0.824 -14.722 1.00 0.19 H HETATM 1420 CB ILE A 79 -25.339 -1.635 -14.928 1.00 0.02 C HETATM 1421 CG ILE A 79 -24.855 -2.496 -13.785 1.00 -0.05 C HETATM 1422 CD1 ILE A 79 -24.643 -3.863 -13.957 1.00 -0.07 C HETATM 1423 CE1 ILE A 79 -24.168 -4.650 -12.903 1.00 -0.04 C HETATM 1424 CZ ILE A 79 -23.879 -4.069 -11.669 1.00 0.08 C HETATM 1425 CE2 ILE A 79 -24.067 -2.715 -11.490 1.00 -0.04 C HETATM 1426 CD2 ILE A 79 -24.540 -1.936 -12.549 1.00 -0.07 C HETATM 1427 H71 ILE A 79 -24.665 -0.869 -12.405 1.00 0.05 H HETATM 1428 H73 ILE A 79 -23.849 -2.257 -10.532 1.00 0.05 H HETATM 1429 OH ILE A 79 -23.415 -4.855 -10.611 1.00 -0.34 O HETATM 1430 H74 ILE A 79 -23.341 -5.758 -10.898 1.00 0.25 H HETATM 1431 H72 ILE A 79 -24.024 -5.715 -13.046 1.00 0.05 H HETATM 1432 H70 ILE A 79 -24.849 -4.321 -14.918 1.00 0.05 H HETATM 1433 H68 ILE A 79 -25.050 -0.595 -14.717 1.00 0.05 H HETATM 1434 H69 ILE A 79 -24.839 -1.976 -15.847 1.00 0.05 H HETATM 1435 H67 ILE A 79 -27.175 -2.714 -15.251 1.00 0.08 H HETATM 1436 H66 ILE A 79 -26.415 -0.463 -16.878 1.00 0.19 H HETATM 1437 CB ILE A 79 -28.032 -1.399 -19.402 1.00 0.04 C HETATM 1438 CG ILE A 79 -28.462 -1.031 -20.822 1.00 0.04 C HETATM 1439 OD1 ILE A 79 -29.251 -0.084 -21.021 1.00 -0.57 O HETATM 1440 OD2 ILE A 79 -27.974 -1.705 -21.756 1.00 -0.57 O HETATM 1441 H64 ILE A 79 -28.460 -2.381 -19.151 1.00 0.05 H HETATM 1442 H65 ILE A 79 -26.934 -1.460 -19.375 1.00 0.05 H HETATM 1443 H63 ILE A 79 -29.547 -0.140 -18.524 1.00 0.08 H HETATM 1444 H62 ILE A 79 -26.909 0.899 -19.027 1.00 0.19 H HETATM 1445 CB ILE A 79 -27.461 3.977 -19.114 1.00 -0.01 C HETATM 1446 CG ILE A 79 -26.822 5.359 -19.214 1.00 -0.04 C HETATM 1447 CD1 ILE A 79 -26.949 5.891 -20.640 1.00 -0.06 C HETATM 1448 H56 ILE A 79 -26.486 6.887 -20.702 1.00 0.02 H HETATM 1449 H57 ILE A 79 -28.013 5.964 -20.911 1.00 0.02 H HETATM 1450 H58 ILE A 79 -26.440 5.206 -21.334 1.00 0.02 H HETATM 1451 CD2 ILE A 79 -27.452 6.342 -18.205 1.00 -0.06 C HETATM 1452 H59 ILE A 79 -27.349 5.939 -17.187 1.00 0.02 H HETATM 1453 H60 ILE A 79 -28.518 6.476 -18.440 1.00 0.02 H HETATM 1454 H61 ILE A 79 -26.938 7.312 -18.269 1.00 0.02 H HETATM 1455 H55 ILE A 79 -25.753 5.262 -18.974 1.00 0.03 H HETATM 1456 H53 ILE A 79 -28.553 4.110 -19.131 1.00 0.03 H HETATM 1457 H54 ILE A 79 -27.148 3.397 -19.995 1.00 0.03 H HETATM 1458 H52 ILE A 79 -27.265 3.802 -16.985 1.00 0.08 H HETATM 1459 H51 ILE A 79 -25.134 2.988 -18.671 1.00 0.19 H HETATM 1460 CB ILE A 79 -22.788 2.940 -16.627 1.00 -0.01 C HETATM 1461 CG ILE A 79 -21.287 2.614 -16.621 1.00 -0.04 C HETATM 1462 CD1 ILE A 79 -20.452 3.887 -16.422 1.00 -0.06 C HETATM 1463 H45 ILE A 79 -19.383 3.628 -16.421 1.00 0.02 H HETATM 1464 H46 ILE A 79 -20.717 4.353 -15.461 1.00 0.02 H HETATM 1465 H47 ILE A 79 -20.658 4.592 -17.241 1.00 0.02 H HETATM 1466 CD2 ILE A 79 -20.954 1.555 -15.541 1.00 -0.06 C HETATM 1467 H48 ILE A 79 -21.566 0.656 -15.708 1.00 0.02 H HETATM 1468 H49 ILE A 79 -21.172 1.967 -14.544 1.00 0.02 H HETATM 1469 H50 ILE A 79 -19.888 1.290 -15.604 1.00 0.02 H HETATM 1470 H44 ILE A 79 -21.028 2.189 -17.602 1.00 0.03 H HETATM 1471 H42 ILE A 79 -23.066 3.302 -15.626 1.00 0.03 H HETATM 1472 H43 ILE A 79 -22.965 3.735 -17.367 1.00 0.03 H HETATM 1473 H41 ILE A 79 -23.485 0.940 -16.256 1.00 0.08 H HETATM 1474 H40 ILE A 79 -22.831 1.734 -18.945 1.00 0.19 H HETATM 1475 CB ILE A 79 -22.352 -1.093 -20.199 1.00 0.04 C HETATM 1476 CG ILE A 79 -22.059 -1.728 -21.545 1.00 0.04 C HETATM 1477 OD1 ILE A 79 -23.012 -2.125 -22.249 1.00 -0.57 O HETATM 1478 OD2 ILE A 79 -20.873 -1.856 -21.889 1.00 -0.57 O HETATM 1479 H38 ILE A 79 -22.353 -1.881 -19.432 1.00 0.05 H HETATM 1480 H39 ILE A 79 -21.559 -0.364 -19.975 1.00 0.05 H HETATM 1481 H37 ILE A 79 -24.478 -1.088 -20.466 1.00 0.08 H HETATM 1482 H36 ILE A 79 -22.915 1.033 -21.582 1.00 0.19 H HETATM 1483 CB ILE A 79 -25.054 2.374 -23.615 1.00 -0.00 C HETATM 1484 CG ILE A 79 -25.418 3.601 -24.402 1.00 0.00 C HETATM 1485 CD ILE A 79 -25.720 3.344 -25.878 1.00 0.04 C HETATM 1486 OE1 ILE A 79 -26.121 2.222 -26.253 1.00 -0.57 O HETATM 1487 OE2 ILE A 79 -25.582 4.305 -26.669 1.00 -0.57 O HETATM 1488 H34 ILE A 79 -24.578 4.309 -24.342 1.00 0.04 H HETATM 1489 H35 ILE A 79 -26.310 4.051 -23.943 1.00 0.04 H HETATM 1490 H32 ILE A 79 -25.888 1.658 -23.659 1.00 0.03 H HETATM 1491 H33 ILE A 79 -24.155 1.918 -24.056 1.00 0.03 H HETATM 1492 H31 ILE A 79 -25.565 3.408 -21.824 1.00 0.08 H HETATM 1493 H30 ILE A 79 -22.955 3.621 -22.859 1.00 0.19 H HETATM 1494 CB ILE A 79 -21.672 5.964 -21.205 1.00 0.02 C HETATM 1495 CG ILE A 79 -22.511 6.811 -20.281 1.00 -0.04 C HETATM 1496 CD1 ILE A 79 -22.340 6.762 -18.895 1.00 -0.06 C HETATM 1497 CE1 ILE A 79 -23.133 7.550 -18.047 1.00 -0.07 C HETATM 1498 CZ ILE A 79 -24.073 8.398 -18.599 1.00 -0.07 C HETATM 1499 CE2 ILE A 79 -24.242 8.458 -19.970 1.00 -0.07 C HETATM 1500 CD2 ILE A 79 -23.460 7.668 -20.808 1.00 -0.06 C HETATM 1501 H26 ILE A 79 -23.596 7.725 -21.882 1.00 0.06 H HETATM 1502 H28 ILE A 79 -24.986 9.123 -20.394 1.00 0.06 H HETATM 1503 H29 ILE A 79 -24.682 9.020 -17.953 1.00 0.06 H HETATM 1504 H27 ILE A 79 -23.009 7.494 -16.971 1.00 0.06 H HETATM 1505 H25 ILE A 79 -21.587 6.108 -18.470 1.00 0.06 H HETATM 1506 H23 ILE A 79 -22.076 6.056 -22.224 1.00 0.05 H HETATM 1507 H24 ILE A 79 -20.640 6.345 -21.184 1.00 0.05 H HETATM 1508 H22 ILE A 79 -21.268 4.403 -19.797 1.00 0.08 H HETATM 1509 H21 ILE A 79 -20.346 4.182 -22.496 1.00 0.19 H HETATM 1510 CB ILE A 79 -20.303 1.649 -23.734 1.00 0.09 C HETATM 1511 OG1 ILE A 79 -21.460 0.821 -23.544 1.00 -0.39 O HETATM 1512 H17 ILE A 79 -21.186 -0.043 -23.259 1.00 0.21 H HETATM 1513 CG2 ILE A 79 -19.418 1.049 -24.827 1.00 -0.03 C HETATM 1514 H18 ILE A 79 -19.989 0.980 -25.765 1.00 0.03 H HETATM 1515 H19 ILE A 79 -19.090 0.044 -24.523 1.00 0.03 H HETATM 1516 H20 ILE A 79 -18.538 1.691 -24.980 1.00 0.03 H HETATM 1517 H16 ILE A 79 -20.624 2.653 -24.048 1.00 0.06 H HETATM 1518 H15 ILE A 79 -18.628 2.362 -22.555 1.00 0.08 H HETATM 1519 H14 ILE A 79 -19.855 -0.264 -21.821 1.00 0.19 H HETATM 1520 CB ILE A 79 -18.240 -1.651 -19.790 1.00 0.02 C HETATM 1521 CG1 ILE A 79 -17.873 -0.596 -18.749 1.00 -0.05 C HETATM 1522 CD1 ILE A 79 -18.833 -0.505 -17.591 1.00 -0.06 C HETATM 1523 H11 ILE A 79 -18.494 0.275 -16.894 1.00 0.02 H HETATM 1524 H12 ILE A 79 -18.870 -1.472 -17.069 1.00 0.02 H HETATM 1525 H13 ILE A 79 -19.836 -0.252 -17.965 1.00 0.02 H HETATM 1526 H6 ILE A 79 -17.842 0.384 -19.248 1.00 0.03 H HETATM 1527 H7 ILE A 79 -16.876 -0.837 -18.351 1.00 0.03 H HETATM 1528 CG2 ILE A 79 -17.838 -3.078 -19.335 1.00 -0.06 C HETATM 1529 H8 ILE A 79 -18.120 -3.804 -20.112 1.00 0.02 H HETATM 1530 H9 ILE A 79 -18.358 -3.324 -18.398 1.00 0.02 H HETATM 1531 H10 ILE A 79 -16.751 -3.119 -19.173 1.00 0.02 H HETATM 1532 H5 ILE A 79 -19.335 -1.638 -19.895 1.00 0.04 H HETATM 1533 H4 ILE A 79 -18.127 -1.962 -21.925 1.00 0.11 H HETATM 1534 H1 ILE A 79 -15.830 -1.333 -22.178 1.00 0.20 H HETATM 1535 H2 ILE A 79 -15.985 -2.541 -21.071 1.00 0.20 H HETATM 1536 H3 ILE A 79 -15.694 -0.999 -20.572 1.00 0.20 H CONECT 1341 1342 1534 1535 1536 CONECT 1342 1341 1343 1520 1533 CONECT 1343 1342 1344 1345 CONECT 1344 1343 CONECT 1345 1343 1346 1519 CONECT 1346 1345 1347 1510 1518 CONECT 1347 1346 1348 1349 CONECT 1348 1347 CONECT 1349 1347 1350 1509 CONECT 1350 1349 1351 1494 1508 CONECT 1351 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 1354 1493 CONECT 1354 1353 1355 1483 1492 CONECT 1355 1354 1356 1357 CONECT 1356 1355 CONECT 1357 1355 1358 1482 CONECT 1358 1357 1359 1475 1481 CONECT 1359 1358 1360 1361 CONECT 1360 1359 CONECT 1361 1359 1362 1474 CONECT 1362 1361 1363 1460 1473 CONECT 1363 1362 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 1459 CONECT 1366 1365 1367 1445 1458 CONECT 1367 1366 1368 1369 CONECT 1368 1367 CONECT 1369 1367 1370 1444 CONECT 1370 1369 1371 1437 1443 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 1374 1436 CONECT 1374 1373 1375 1420 1435 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 1378 1419 CONECT 1378 1377 1379 1403 1418 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 1382 1402 CONECT 1382 1381 1383 1400 1401 CONECT 1383 1382 1384 1385 CONECT 1384 1383 CONECT 1385 1383 1386 1392 CONECT 1386 1385 1387 1390 1399 CONECT 1387 1386 1388 1389 CONECT 1388 1387 CONECT 1389 1387 CONECT 1390 1386 1391 1397 1398 CONECT 1391 1390 1392 1395 1396 CONECT 1392 1385 1391 1393 1394 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1391 CONECT 1396 1391 CONECT 1397 1390 CONECT 1398 1390 CONECT 1399 1386 CONECT 1400 1382 CONECT 1401 1382 CONECT 1402 1381 CONECT 1403 1378 1404 1416 1417 CONECT 1404 1403 1405 1409 CONECT 1405 1404 1406 1415 CONECT 1406 1405 1407 1414 CONECT 1407 1406 1408 1412 CONECT 1408 1407 1409 1411 CONECT 1409 1404 1408 1410 CONECT 1410 1409 CONECT 1411 1408 CONECT 1412 1407 1413 CONECT 1413 1412 CONECT 1414 1406 CONECT 1415 1405 CONECT 1416 1403 CONECT 1417 1403 CONECT 1418 1378 CONECT 1419 1377 CONECT 1420 1374 1421 1433 1434 CONECT 1421 1420 1422 1426 CONECT 1422 1421 1423 1432 CONECT 1423 1422 1424 1431 CONECT 1424 1423 1425 1429 CONECT 1425 1424 1426 1428 CONECT 1426 1421 1425 1427 CONECT 1427 1426 CONECT 1428 1425 CONECT 1429 1424 1430 CONECT 1430 1429 CONECT 1431 1423 CONECT 1432 1422 CONECT 1433 1420 CONECT 1434 1420 CONECT 1435 1374 CONECT 1436 1373 CONECT 1437 1370 1438 1441 1442 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 CONECT 1441 1437 CONECT 1442 1437 CONECT 1443 1370 CONECT 1444 1369 CONECT 1445 1366 1446 1456 1457 CONECT 1446 1445 1447 1451 1455 CONECT 1447 1446 1448 1449 1450 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1447 CONECT 1451 1446 1452 1453 1454 CONECT 1452 1451 CONECT 1453 1451 CONECT 1454 1451 CONECT 1455 1446 CONECT 1456 1445 CONECT 1457 1445 CONECT 1458 1366 CONECT 1459 1365 CONECT 1460 1362 1461 1471 1472 CONECT 1461 1460 1462 1466 1470 CONECT 1462 1461 1463 1464 1465 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1462 CONECT 1466 1461 1467 1468 1469 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1466 CONECT 1470 1461 CONECT 1471 1460 CONECT 1472 1460 CONECT 1473 1362 CONECT 1474 1361 CONECT 1475 1358 1476 1479 1480 CONECT 1476 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1475 CONECT 1480 1475 CONECT 1481 1358 CONECT 1482 1357 CONECT 1483 1354 1484 1490 1491 CONECT 1484 1483 1485 1488 1489 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1484 CONECT 1489 1484 CONECT 1490 1483 CONECT 1491 1483 CONECT 1492 1354 CONECT 1493 1353 CONECT 1494 1350 1495 1506 1507 CONECT 1495 1494 1496 1500 CONECT 1496 1495 1497 1505 CONECT 1497 1496 1498 1504 CONECT 1498 1497 1499 1503 CONECT 1499 1498 1500 1502 CONECT 1500 1495 1499 1501 CONECT 1501 1500 CONECT 1502 1499 CONECT 1503 1498 CONECT 1504 1497 CONECT 1505 1496 CONECT 1506 1494 CONECT 1507 1494 CONECT 1508 1350 CONECT 1509 1349 CONECT 1510 1346 1511 1513 1517 CONECT 1511 1510 1512 CONECT 1512 1511 CONECT 1513 1510 1514 1515 1516 CONECT 1514 1513 CONECT 1515 1513 CONECT 1516 1513 CONECT 1517 1510 CONECT 1518 1346 CONECT 1519 1345 CONECT 1520 1342 1521 1528 1532 CONECT 1521 1520 1522 1526 1527 CONECT 1522 1521 1523 1524 1525 CONECT 1523 1522 CONECT 1524 1522 CONECT 1525 1522 CONECT 1526 1521 CONECT 1527 1521 CONECT 1528 1520 1529 1530 1531 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1528 CONECT 1532 1520 CONECT 1533 1342 CONECT 1534 1341 CONECT 1535 1341 CONECT 1536 1341 MASTER 0 0 0 0 0 0 0 0 1535 1 196 7 END
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Protein
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Related entries of code: 3ds0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3ds1
RCSB PDB
PDBbind
12aa, >3DS1_2|Chain... at 100%
3ds3
RCSB PDB
PDBbind
12aa, >3DS3_2|Chains... at 100%
3ds4
RCSB PDB
PDBbind
12aa, >3DS4_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3ds0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Capsid Protein(N183A)
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=14.9uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 32024-32033
Ligand Properties
Formula
C
6
9
H
9
7
N
1
2
O
2
2
Molecular Weight
1446.580
Exact Mass
1445.680
No. of atoms
200
No. of bonds
203
Polar Surface Area
548.84
LOGP Value
4.48 (
Computed with XLOGP3
)
1.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
CC[C@@H]([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)NCC(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)O)Cc1ccccc1)[C@H](O)C)[NH3+])C
InChI String
InChI=1S/C69H96N12O22/c1-8-37(6)57(70)67(100)80-58(38(7)82)68(101)79-49(29-39-13-10-9-11-14-39)63(96)72-44(24-25-54(86)87)60(93)77-50(32-55(88)89)65(98)74-45(27-35(2)3)61(94)73-46(28-36(4)5)62(95)78-51(33-56(90)91)66(99)76-48(31-41-18-22-43(84)23-19-41)64(97)75-47(30-40-16-20-42(83)21-17-40)59(92)71-34-53(85)81-26-12-15-52(81)69(102)103/h9-11,13-14,16-23,35-38,44-52,57-58,82-84H,8,12,15,24-34,70H2,1-7H3,(H,71,92)(H,72,96)(H,73,94)(H,74,98)(H,75,97)(H,76,99)(H,77,93)(H,78,95)(H,79,101)(H,80,100)(H,86,87)(H,88,89)(H,90,91)(H,102,103)/p+1/t37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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