Browse entries in the PDBbind-CN Database
HEADER 3ZXE_COMPLEX COMPND 3ZXE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 132 PRO HIS LYS SER SER LEU PRO GLU GLY ILE ARG PRO GLY SEQRES 2 A 132 THR VAL LEU ARG ILE ARG GLY LEU VAL PRO PRO ASN ALA SEQRES 3 A 132 SER ARG PHE HIS VAL ASN LEU LEU CYS GLY GLU GLU GLN SEQRES 4 A 132 GLY SER ASP ALA ALA LEU HIS PHE ASN PRO ARG LEU ASP SEQRES 5 A 132 THR SER GLU VAL VAL PHE ASN SER LYS GLU GLN GLY SER SEQRES 6 A 132 TRP GLY ARG GLU GLU ARG GLY PRO GLY VAL PRO PHE GLN SEQRES 7 A 132 ARG GLY GLN PRO PHE GLU VAL LEU ILE ILE ALA SER ASP SEQRES 8 A 132 ASP GLY PHE LYS ALA VAL VAL GLY ASP ALA GLN TYR HIS SEQRES 9 A 132 HIS PHE ARG HIS ARG LEU PRO LEU ALA ARG VAL ARG LEU SEQRES 10 A 132 VAL GLU VAL GLY GLY ASP VAL GLN LEU ASP SER VAL ARG SEQRES 11 A 132 ILE PHE HET PGZ A 336 60 ATOM 1 N PRO A 4 -11.081 10.212 -34.413 1.00 23.35 N ATOM 2 CA PRO A 4 -10.513 10.571 -33.114 1.00 23.03 C ATOM 3 C PRO A 4 -10.751 9.496 -32.058 1.00 22.52 C ATOM 4 O PRO A 4 -11.799 8.842 -32.048 1.00 22.75 O ATOM 5 CB PRO A 4 -11.257 11.856 -32.746 1.00 23.24 C ATOM 6 CG PRO A 4 -12.540 11.779 -33.486 1.00 23.32 C ATOM 7 CD PRO A 4 -12.268 11.018 -34.748 1.00 23.50 C ATOM 8 HA PRO A 4 -9.430 10.687 -33.161 1.00 0.00 H ATOM 9 HD3 PRO A 4 -13.112 10.380 -35.008 1.00 0.00 H ATOM 10 HD2 PRO A 4 -12.058 11.696 -35.575 1.00 0.00 H ATOM 11 HG3 PRO A 4 -12.898 12.781 -33.722 1.00 0.00 H ATOM 12 HG2 PRO A 4 -13.288 11.259 -32.888 1.00 0.00 H ATOM 13 HB2 PRO A 4 -11.436 11.902 -31.672 1.00 0.00 H ATOM 14 HB3 PRO A 4 -10.687 12.732 -33.056 1.00 0.00 H ATOM 15 N HIS A 5 -9.772 9.314 -31.182 1.00 21.62 N ATOM 16 CA HIS A 5 -9.847 8.289 -30.155 1.00 20.99 C ATOM 17 C HIS A 5 -10.085 8.946 -28.808 1.00 20.47 C ATOM 18 O HIS A 5 -9.502 9.988 -28.510 1.00 20.21 O ATOM 19 CB HIS A 5 -8.553 7.485 -30.129 1.00 21.03 C ATOM 20 CG HIS A 5 -8.592 6.305 -29.210 1.00 21.98 C ATOM 21 ND1 HIS A 5 -8.203 6.376 -27.891 1.00 22.89 N ATOM 22 CD2 HIS A 5 -8.957 5.019 -29.426 1.00 22.68 C ATOM 23 CE1 HIS A 5 -8.335 5.187 -27.331 1.00 22.77 C ATOM 24 NE2 HIS A 5 -8.790 4.345 -28.241 1.00 22.98 N ATOM 25 HA HIS A 5 -10.672 7.612 -30.374 1.00 0.00 H ATOM 26 HB2 HIS A 5 -8.350 7.128 -31.139 1.00 0.00 H ATOM 27 HB3 HIS A 5 -7.746 8.144 -29.809 1.00 0.00 H ATOM 28 HD2 HIS A 5 -9.316 4.598 -30.365 1.00 0.00 H ATOM 29 HE1 HIS A 5 -8.107 4.942 -26.294 1.00 0.00 H ATOM 30 H HIS A 5 -8.929 9.921 -31.231 1.00 0.00 H ATOM 31 N LYS A 6 -10.945 8.336 -28.002 1.00 20.05 N ATOM 32 CA LYS A 6 -11.253 8.862 -26.680 1.00 19.78 C ATOM 33 C LYS A 6 -11.064 7.802 -25.608 1.00 19.32 C ATOM 34 O LYS A 6 -11.562 6.681 -25.736 1.00 19.19 O ATOM 35 CB LYS A 6 -12.673 9.439 -26.644 1.00 20.05 C ATOM 36 CG LYS A 6 -12.814 10.721 -27.461 1.00 21.11 C ATOM 37 CD LYS A 6 -14.239 11.240 -27.521 1.00 23.20 C ATOM 38 CE LYS A 6 -14.292 12.484 -28.409 1.00 24.07 C ATOM 39 NZ LYS A 6 -15.655 13.065 -28.531 1.00 25.58 N ATOM 40 HA LYS A 6 -10.554 9.671 -26.468 1.00 0.00 H ATOM 41 HB2 LYS A 6 -13.362 8.694 -27.043 1.00 0.00 H ATOM 42 HB3 LYS A 6 -12.935 9.656 -25.608 1.00 0.00 H ATOM 43 HG2 LYS A 6 -12.184 11.489 -27.012 1.00 0.00 H ATOM 44 HG3 LYS A 6 -12.474 10.523 -28.478 1.00 0.00 H ATOM 45 HD2 LYS A 6 -14.889 10.470 -27.935 1.00 0.00 H ATOM 46 HD3 LYS A 6 -14.575 11.496 -26.516 1.00 0.00 H ATOM 47 HE2 LYS A 6 -13.941 12.213 -29.405 1.00 0.00 H ATOM 48 HE3 LYS A 6 -13.631 13.240 -27.985 1.00 0.00 H ATOM 49 HZ1 LYS A 6 -16.296 12.358 -28.944 1.00 0.00 H ATOM 50 HZ2 LYS A 6 -16.000 13.338 -27.589 1.00 0.00 H ATOM 51 HZ3 LYS A 6 -15.619 13.904 -29.145 1.00 0.00 H ATOM 52 H LYS A 6 -11.409 7.462 -28.322 1.00 0.00 H ATOM 53 N SER A 7 -10.318 8.161 -24.566 1.00 18.78 N ATOM 54 CA SER A 7 -10.097 7.288 -23.417 1.00 18.29 C ATOM 55 C SER A 7 -10.608 7.984 -22.162 1.00 18.07 C ATOM 56 O SER A 7 -10.106 9.048 -21.781 1.00 17.59 O ATOM 57 CB SER A 7 -8.607 6.971 -23.253 1.00 18.40 C ATOM 58 OG SER A 7 -8.095 6.245 -24.358 1.00 19.08 O ATOM 59 HA SER A 7 -10.633 6.352 -23.576 1.00 0.00 H ATOM 60 HB2 SER A 7 -8.470 6.379 -22.348 1.00 0.00 H ATOM 61 HB3 SER A 7 -8.056 7.907 -23.160 1.00 0.00 H ATOM 62 HG SER A 7 -8.209 6.779 -25.184 1.00 0.00 H ATOM 63 H SER A 7 -9.874 9.102 -24.570 1.00 0.00 H ATOM 64 N SER A 8 -11.615 7.388 -21.528 1.00 17.84 N ATOM 65 CA SER A 8 -12.124 7.891 -20.258 1.00 18.00 C ATOM 66 C SER A 8 -11.093 7.644 -19.162 1.00 17.85 C ATOM 67 O SER A 8 -10.344 6.667 -19.214 1.00 18.04 O ATOM 68 CB SER A 8 -13.451 7.216 -19.902 1.00 18.05 C ATOM 69 OG SER A 8 -13.952 7.702 -18.669 1.00 18.91 O ATOM 70 HA SER A 8 -12.303 8.962 -20.349 1.00 0.00 H ATOM 71 HB2 SER A 8 -13.295 6.140 -19.825 1.00 0.00 H ATOM 72 HB3 SER A 8 -14.178 7.421 -20.688 1.00 0.00 H ATOM 73 HG SER A 8 -14.099 8.679 -18.736 1.00 0.00 H ATOM 74 H SER A 8 -12.050 6.542 -21.949 1.00 0.00 H ATOM 75 N LEU A 9 -11.046 8.545 -18.187 1.00 17.61 N ATOM 76 CA LEU A 9 -10.119 8.417 -17.067 1.00 17.62 C ATOM 77 C LEU A 9 -10.912 8.246 -15.774 1.00 17.54 C ATOM 78 O LEU A 9 -11.201 9.228 -15.090 1.00 17.78 O ATOM 79 CB LEU A 9 -9.185 9.629 -17.000 1.00 17.39 C ATOM 80 CG LEU A 9 -8.231 9.822 -18.185 1.00 17.44 C ATOM 81 CD1 LEU A 9 -7.722 11.250 -18.258 1.00 17.70 C ATOM 82 CD2 LEU A 9 -7.061 8.843 -18.121 1.00 18.49 C ATOM 83 HA LEU A 9 -9.493 7.536 -17.209 1.00 0.00 H ATOM 84 HB2 LEU A 9 -9.805 10.522 -16.925 1.00 0.00 H ATOM 85 HB3 LEU A 9 -8.579 9.532 -16.099 1.00 0.00 H ATOM 86 HG LEU A 9 -8.799 9.616 -19.092 1.00 0.00 H ATOM 87 HD21 LEU A 9 -6.505 9.004 -17.198 1.00 0.00 H ATOM 88 HD22 LEU A 9 -7.442 7.822 -18.144 1.00 0.00 H ATOM 89 HD23 LEU A 9 -6.404 9.007 -18.975 1.00 0.00 H ATOM 90 HD11 LEU A 9 -8.566 11.929 -18.378 1.00 0.00 H ATOM 91 HD12 LEU A 9 -7.187 11.491 -17.339 1.00 0.00 H ATOM 92 HD13 LEU A 9 -7.049 11.351 -19.109 1.00 0.00 H ATOM 93 H LEU A 9 -11.687 9.363 -18.223 1.00 0.00 H ATOM 94 N PRO A 10 -11.268 6.990 -15.436 1.00 17.63 N ATOM 95 CA PRO A 10 -12.187 6.750 -14.323 1.00 17.77 C ATOM 96 C PRO A 10 -11.623 7.137 -12.954 1.00 17.80 C ATOM 97 O PRO A 10 -12.392 7.358 -12.017 1.00 17.68 O ATOM 98 CB PRO A 10 -12.448 5.242 -14.398 1.00 17.78 C ATOM 99 CG PRO A 10 -11.248 4.679 -15.058 1.00 17.93 C ATOM 100 CD PRO A 10 -10.807 5.730 -16.048 1.00 17.70 C ATOM 101 HA PRO A 10 -13.082 7.365 -14.415 1.00 0.00 H ATOM 102 HD3 PRO A 10 -9.723 5.726 -16.165 1.00 0.00 H ATOM 103 HD2 PRO A 10 -11.276 5.573 -17.019 1.00 0.00 H ATOM 104 HG3 PRO A 10 -11.495 3.750 -15.572 1.00 0.00 H ATOM 105 HG2 PRO A 10 -10.463 4.490 -14.326 1.00 0.00 H ATOM 106 HB2 PRO A 10 -12.568 4.823 -13.399 1.00 0.00 H ATOM 107 HB3 PRO A 10 -13.342 5.036 -14.987 1.00 0.00 H ATOM 108 N GLU A 11 -10.301 7.229 -12.844 1.00 17.82 N ATOM 109 CA GLU A 11 -9.674 7.743 -11.625 1.00 18.30 C ATOM 110 C GLU A 11 -9.021 9.098 -11.885 1.00 17.69 C ATOM 111 O GLU A 11 -8.245 9.600 -11.064 1.00 18.14 O ATOM 112 CB GLU A 11 -8.654 6.748 -11.065 1.00 18.59 C ATOM 113 CG GLU A 11 -9.269 5.455 -10.544 1.00 20.95 C ATOM 114 CD GLU A 11 -8.351 4.724 -9.586 1.00 22.92 C ATOM 115 OE1 GLU A 11 -8.369 5.045 -8.375 1.00 25.36 O ATOM 116 OE2 GLU A 11 -7.606 3.838 -10.047 1.00 23.86 O ATOM 117 HA GLU A 11 -10.456 7.876 -10.877 1.00 0.00 H ATOM 118 HB2 GLU A 11 -7.949 6.497 -11.858 1.00 0.00 H ATOM 119 HB3 GLU A 11 -8.121 7.229 -10.245 1.00 0.00 H ATOM 120 HG2 GLU A 11 -10.198 5.693 -10.026 1.00 0.00 H ATOM 121 HG3 GLU A 11 -9.483 4.803 -11.391 1.00 0.00 H ATOM 122 H GLU A 11 -9.701 6.930 -13.639 1.00 0.00 H ATOM 123 N GLY A 12 -9.350 9.687 -13.032 1.00 17.26 N ATOM 124 CA GLY A 12 -8.748 10.944 -13.466 1.00 16.60 C ATOM 125 C GLY A 12 -7.251 10.794 -13.646 1.00 16.30 C ATOM 126 O GLY A 12 -6.753 9.707 -13.961 1.00 16.58 O ATOM 127 HA3 GLY A 12 -8.942 11.711 -12.716 1.00 0.00 H ATOM 128 HA2 GLY A 12 -9.193 11.244 -14.414 1.00 0.00 H ATOM 129 H GLY A 12 -10.062 9.235 -13.641 1.00 0.00 H ATOM 130 N ILE A 13 -6.534 11.892 -13.437 1.00 15.78 N ATOM 131 CA ILE A 13 -5.078 11.888 -13.505 1.00 15.23 C ATOM 132 C ILE A 13 -4.536 12.428 -12.193 1.00 15.05 C ATOM 133 O ILE A 13 -4.899 13.527 -11.774 1.00 14.79 O ATOM 134 CB ILE A 13 -4.541 12.766 -14.662 1.00 15.50 C ATOM 135 CG1 ILE A 13 -5.128 12.334 -16.005 1.00 15.26 C ATOM 136 CG2 ILE A 13 -3.016 12.712 -14.708 1.00 14.93 C ATOM 137 CD1 ILE A 13 -4.457 12.978 -17.205 1.00 16.68 C ATOM 138 HA ILE A 13 -4.751 10.864 -13.686 1.00 0.00 H ATOM 139 HB ILE A 13 -4.852 13.794 -14.474 1.00 0.00 H ATOM 140 HG12 ILE A 13 -5.025 11.252 -16.093 1.00 0.00 H ATOM 141 HG13 ILE A 13 -6.185 12.599 -16.019 1.00 0.00 H ATOM 142 HD11 ILE A 13 -4.561 14.061 -17.140 1.00 0.00 H ATOM 143 HD12 ILE A 13 -3.400 12.713 -17.214 1.00 0.00 H ATOM 144 HD13 ILE A 13 -4.930 12.621 -18.120 1.00 0.00 H ATOM 145 HG21 ILE A 13 -2.612 13.081 -13.765 1.00 0.00 H ATOM 146 HG22 ILE A 13 -2.695 11.682 -14.865 1.00 0.00 H ATOM 147 HG23 ILE A 13 -2.656 13.335 -15.527 1.00 0.00 H ATOM 148 H ILE A 13 -7.026 12.782 -13.218 1.00 0.00 H ATOM 149 N ARG A 14 -3.676 11.645 -11.548 1.00 14.69 N ATOM 150 CA ARG A 14 -3.031 12.057 -10.303 1.00 14.75 C ATOM 151 C ARG A 14 -1.520 12.082 -10.508 1.00 13.92 C ATOM 152 O ARG A 14 -1.024 11.503 -11.482 1.00 13.41 O ATOM 153 CB ARG A 14 -3.385 11.084 -9.174 1.00 15.23 C ATOM 154 CG ARG A 14 -4.884 10.978 -8.892 1.00 18.12 C ATOM 155 CD ARG A 14 -5.201 9.904 -7.842 1.00 21.56 C ATOM 156 NE ARG A 14 -4.936 8.519 -8.263 1.00 24.40 N ATOM 157 CZ ARG A 14 -5.175 7.999 -9.471 1.00 25.23 C ATOM 158 NH1 ARG A 14 -5.707 8.726 -10.450 1.00 26.23 N ATOM 159 NH2 ARG A 14 -4.882 6.726 -9.701 1.00 26.09 N ATOM 160 HA ARG A 14 -3.382 13.051 -10.028 1.00 0.00 H ATOM 161 HB2 ARG A 14 -3.016 10.095 -9.445 1.00 0.00 H ATOM 162 HB3 ARG A 14 -2.887 11.419 -8.264 1.00 0.00 H ATOM 163 HG2 ARG A 14 -5.242 11.941 -8.529 1.00 0.00 H ATOM 164 HG3 ARG A 14 -5.399 10.726 -9.819 1.00 0.00 H ATOM 165 HD2 ARG A 14 -6.258 9.983 -7.587 1.00 0.00 H ATOM 166 HD3 ARG A 14 -4.599 10.109 -6.957 1.00 0.00 H ATOM 167 HE ARG A 14 -4.523 7.883 -7.552 1.00 0.00 H ATOM 168 HH12 ARG A 14 -5.882 8.296 -11.381 1.00 0.00 H ATOM 169 HH11 ARG A 14 -5.947 9.724 -10.285 1.00 0.00 H ATOM 170 HH22 ARG A 14 -5.064 6.311 -10.637 1.00 0.00 H ATOM 171 HH21 ARG A 14 -4.470 6.142 -8.945 1.00 0.00 H ATOM 172 H ARG A 14 -3.455 10.708 -11.943 1.00 0.00 H ATOM 173 N PRO A 15 -0.776 12.757 -9.609 1.00 13.26 N ATOM 174 CA PRO A 15 0.675 12.663 -9.746 1.00 13.03 C ATOM 175 C PRO A 15 1.092 11.199 -9.683 1.00 12.71 C ATOM 176 O PRO A 15 0.715 10.481 -8.749 1.00 12.60 O ATOM 177 CB PRO A 15 1.190 13.443 -8.537 1.00 13.17 C ATOM 178 CG PRO A 15 0.104 14.420 -8.247 1.00 13.42 C ATOM 179 CD PRO A 15 -1.162 13.673 -8.519 1.00 13.16 C ATOM 180 HA PRO A 15 1.063 13.055 -10.686 1.00 0.00 H ATOM 181 HD3 PRO A 15 -1.488 13.120 -7.638 1.00 0.00 H ATOM 182 HD2 PRO A 15 -1.956 14.349 -8.837 1.00 0.00 H ATOM 183 HG3 PRO A 15 0.185 15.290 -8.899 1.00 0.00 H ATOM 184 HG2 PRO A 15 0.144 14.742 -7.207 1.00 0.00 H ATOM 185 HB2 PRO A 15 1.351 12.779 -7.688 1.00 0.00 H ATOM 186 HB3 PRO A 15 2.121 13.958 -8.776 1.00 0.00 H ATOM 187 N GLY A 16 1.828 10.755 -10.696 1.00 12.52 N ATOM 188 CA GLY A 16 2.181 9.345 -10.830 1.00 12.30 C ATOM 189 C GLY A 16 1.434 8.631 -11.945 1.00 12.37 C ATOM 190 O GLY A 16 1.808 7.528 -12.329 1.00 12.59 O ATOM 191 HA3 GLY A 16 1.957 8.843 -9.889 1.00 0.00 H ATOM 192 HA2 GLY A 16 3.250 9.275 -11.032 1.00 0.00 H ATOM 193 H GLY A 16 2.162 11.430 -11.413 1.00 0.00 H ATOM 194 N THR A 17 0.372 9.245 -12.465 1.00 11.91 N ATOM 195 CA THR A 17 -0.349 8.672 -13.611 1.00 12.15 C ATOM 196 C THR A 17 0.486 8.826 -14.878 1.00 11.96 C ATOM 197 O THR A 17 1.020 9.906 -15.156 1.00 11.88 O ATOM 198 CB THR A 17 -1.741 9.326 -13.803 1.00 12.14 C ATOM 199 OG1 THR A 17 -2.542 9.092 -12.643 1.00 12.76 O ATOM 200 CG2 THR A 17 -2.464 8.754 -15.024 1.00 12.99 C ATOM 201 HA THR A 17 -0.511 7.613 -13.408 1.00 0.00 H ATOM 202 HB THR A 17 -1.591 10.395 -13.956 1.00 0.00 H ATOM 203 HG1 THR A 17 -2.651 8.117 -12.510 1.00 0.00 H ATOM 204 HG23 THR A 17 -1.861 8.927 -15.916 1.00 0.00 H ATOM 205 HG21 THR A 17 -2.614 7.683 -14.887 1.00 0.00 H ATOM 206 HG22 THR A 17 -3.430 9.246 -15.136 1.00 0.00 H ATOM 207 H THR A 17 0.048 10.144 -12.054 1.00 0.00 H ATOM 208 N VAL A 18 0.599 7.734 -15.633 1.00 11.61 N ATOM 209 CA VAL A 18 1.362 7.712 -16.875 1.00 11.46 C ATOM 210 C VAL A 18 0.456 7.354 -18.044 1.00 11.44 C ATOM 211 O VAL A 18 -0.228 6.329 -18.031 1.00 11.61 O ATOM 212 CB VAL A 18 2.527 6.695 -16.822 1.00 11.45 C ATOM 213 CG1 VAL A 18 3.262 6.630 -18.165 1.00 11.72 C ATOM 214 CG2 VAL A 18 3.497 7.046 -15.702 1.00 11.66 C ATOM 215 HA VAL A 18 1.778 8.710 -17.009 1.00 0.00 H ATOM 216 HB VAL A 18 2.104 5.711 -16.618 1.00 0.00 H ATOM 217 HG11 VAL A 18 2.565 6.323 -18.945 1.00 0.00 H ATOM 218 HG12 VAL A 18 3.667 7.613 -18.404 1.00 0.00 H ATOM 219 HG13 VAL A 18 4.075 5.907 -18.098 1.00 0.00 H ATOM 220 HG21 VAL A 18 3.905 8.042 -15.875 1.00 0.00 H ATOM 221 HG22 VAL A 18 2.970 7.029 -14.748 1.00 0.00 H ATOM 222 HG23 VAL A 18 4.308 6.318 -15.684 1.00 0.00 H ATOM 223 H VAL A 18 0.124 6.862 -15.324 1.00 0.00 H ATOM 224 N LEU A 19 0.458 8.212 -19.055 1.00 11.11 N ATOM 225 CA LEU A 19 -0.230 7.918 -20.299 1.00 11.58 C ATOM 226 C LEU A 19 0.815 7.487 -21.307 1.00 11.47 C ATOM 227 O LEU A 19 1.749 8.237 -21.608 1.00 11.16 O ATOM 228 CB LEU A 19 -0.968 9.160 -20.812 1.00 11.83 C ATOM 229 CG LEU A 19 -2.135 9.709 -19.983 1.00 13.43 C ATOM 230 CD1 LEU A 19 -1.753 9.923 -18.535 1.00 16.89 C ATOM 231 CD2 LEU A 19 -2.605 11.022 -20.591 1.00 14.78 C ATOM 232 HA LEU A 19 -0.968 7.131 -20.144 1.00 0.00 H ATOM 233 HB2 LEU A 19 -0.232 9.959 -20.901 1.00 0.00 H ATOM 234 HB3 LEU A 19 -1.360 8.917 -21.800 1.00 0.00 H ATOM 235 HG LEU A 19 -2.938 8.972 -20.002 1.00 0.00 H ATOM 236 HD21 LEU A 19 -1.783 11.738 -20.586 1.00 0.00 H ATOM 237 HD22 LEU A 19 -2.933 10.850 -21.616 1.00 0.00 H ATOM 238 HD23 LEU A 19 -3.435 11.416 -20.004 1.00 0.00 H ATOM 239 HD11 LEU A 19 -1.442 8.974 -18.098 1.00 0.00 H ATOM 240 HD12 LEU A 19 -0.931 10.636 -18.479 1.00 0.00 H ATOM 241 HD13 LEU A 19 -2.611 10.313 -17.988 1.00 0.00 H ATOM 242 H LEU A 19 0.964 9.115 -18.955 1.00 0.00 H ATOM 243 N ARG A 20 0.668 6.265 -21.809 1.00 11.46 N ATOM 244 CA ARG A 20 1.539 5.793 -22.866 1.00 11.72 C ATOM 245 C ARG A 20 0.761 5.769 -24.167 1.00 11.69 C ATOM 246 O ARG A 20 -0.278 5.115 -24.271 1.00 11.83 O ATOM 247 CB ARG A 20 2.105 4.416 -22.546 1.00 11.82 C ATOM 248 CG ARG A 20 3.361 4.097 -23.330 1.00 12.24 C ATOM 249 CD ARG A 20 3.642 2.623 -23.283 1.00 12.41 C ATOM 250 NE ARG A 20 2.543 1.882 -23.887 1.00 13.13 N ATOM 251 CZ ARG A 20 2.342 0.582 -23.719 1.00 12.47 C ATOM 252 NH1 ARG A 20 3.174 -0.124 -22.968 1.00 12.89 N ATOM 253 NH2 ARG A 20 1.317 -0.013 -24.313 1.00 13.10 N ATOM 254 HA ARG A 20 2.387 6.471 -22.959 1.00 0.00 H ATOM 255 HB2 ARG A 20 2.339 4.375 -21.482 1.00 0.00 H ATOM 256 HB3 ARG A 20 1.349 3.666 -22.780 1.00 0.00 H ATOM 257 HG2 ARG A 20 3.226 4.405 -24.367 1.00 0.00 H ATOM 258 HG3 ARG A 20 4.203 4.638 -22.898 1.00 0.00 H ATOM 259 HD2 ARG A 20 3.759 2.311 -22.245 1.00 0.00 H ATOM 260 HD3 ARG A 20 4.561 2.414 -23.830 1.00 0.00 H ATOM 261 HE ARG A 20 1.874 2.405 -24.488 1.00 0.00 H ATOM 262 HH12 ARG A 20 3.017 -1.144 -22.836 1.00 0.00 H ATOM 263 HH11 ARG A 20 3.984 0.341 -22.511 1.00 0.00 H ATOM 264 HH22 ARG A 20 1.160 -1.033 -24.181 1.00 0.00 H ATOM 265 HH21 ARG A 20 0.670 0.540 -24.911 1.00 0.00 H ATOM 266 H ARG A 20 -0.079 5.642 -21.440 1.00 0.00 H ATOM 267 N ILE A 21 1.260 6.515 -25.145 1.00 11.46 N ATOM 268 CA ILE A 21 0.597 6.645 -26.437 1.00 11.49 C ATOM 269 C ILE A 21 1.540 6.127 -27.514 1.00 11.06 C ATOM 270 O ILE A 21 2.662 6.619 -27.661 1.00 11.03 O ATOM 271 CB ILE A 21 0.191 8.116 -26.725 1.00 11.77 C ATOM 272 CG1 ILE A 21 -0.667 8.675 -25.583 1.00 12.80 C ATOM 273 CG2 ILE A 21 -0.576 8.219 -28.051 1.00 12.13 C ATOM 274 CD1 ILE A 21 -0.196 10.010 -25.074 1.00 14.31 C ATOM 275 HA ILE A 21 -0.322 6.059 -26.429 1.00 0.00 H ATOM 276 HB ILE A 21 1.104 8.706 -26.801 1.00 0.00 H ATOM 277 HG12 ILE A 21 -1.690 8.784 -25.942 1.00 0.00 H ATOM 278 HG13 ILE A 21 -0.647 7.964 -24.757 1.00 0.00 H ATOM 279 HD11 ILE A 21 0.823 9.916 -24.700 1.00 0.00 H ATOM 280 HD12 ILE A 21 -0.221 10.736 -25.886 1.00 0.00 H ATOM 281 HD13 ILE A 21 -0.851 10.342 -24.268 1.00 0.00 H ATOM 282 HG21 ILE A 21 0.057 7.862 -28.864 1.00 0.00 H ATOM 283 HG22 ILE A 21 -1.478 7.609 -27.996 1.00 0.00 H ATOM 284 HG23 ILE A 21 -0.850 9.259 -28.231 1.00 0.00 H ATOM 285 H ILE A 21 2.153 7.023 -24.984 1.00 0.00 H ATOM 286 N ARG A 22 1.081 5.113 -28.244 1.00 10.79 N ATOM 287 CA ARG A 22 1.859 4.500 -29.314 1.00 10.93 C ATOM 288 C ARG A 22 1.105 4.646 -30.617 1.00 10.51 C ATOM 289 O ARG A 22 -0.114 4.521 -30.651 1.00 10.30 O ATOM 290 CB ARG A 22 2.090 3.013 -29.032 1.00 11.15 C ATOM 291 CG ARG A 22 3.101 2.739 -27.937 1.00 12.78 C ATOM 292 CD ARG A 22 3.027 1.290 -27.493 1.00 15.50 C ATOM 293 NE ARG A 22 4.190 0.913 -26.695 1.00 18.77 N ATOM 294 CZ ARG A 22 4.365 -0.276 -26.122 1.00 20.92 C ATOM 295 NH1 ARG A 22 3.438 -1.225 -26.226 1.00 22.03 N ATOM 296 NH2 ARG A 22 5.466 -0.506 -25.417 1.00 21.76 N ATOM 297 HA ARG A 22 2.826 4.999 -29.376 1.00 0.00 H ATOM 298 HB2 ARG A 22 1.139 2.568 -28.739 1.00 0.00 H ATOM 299 HB3 ARG A 22 2.443 2.541 -29.949 1.00 0.00 H ATOM 300 HG2 ARG A 22 4.102 2.948 -28.313 1.00 0.00 H ATOM 301 HG3 ARG A 22 2.892 3.386 -27.085 1.00 0.00 H ATOM 302 HD2 ARG A 22 2.981 0.651 -28.375 1.00 0.00 H ATOM 303 HD3 ARG A 22 2.126 1.148 -26.895 1.00 0.00 H ATOM 304 HE ARG A 22 4.936 1.625 -26.565 1.00 0.00 H ATOM 305 HH12 ARG A 22 3.587 -2.149 -25.774 1.00 0.00 H ATOM 306 HH11 ARG A 22 2.564 -1.042 -26.760 1.00 0.00 H ATOM 307 HH22 ARG A 22 5.611 -1.432 -24.966 1.00 0.00 H ATOM 308 HH21 ARG A 22 6.184 0.240 -25.316 1.00 0.00 H ATOM 309 H ARG A 22 0.130 4.743 -28.043 1.00 0.00 H ATOM 310 N GLY A 23 1.828 4.938 -31.689 1.00 10.46 N ATOM 311 CA GLY A 23 1.191 5.048 -32.991 1.00 10.34 C ATOM 312 C GLY A 23 2.182 5.209 -34.119 1.00 10.09 C ATOM 313 O GLY A 23 3.394 5.169 -33.911 1.00 10.74 O ATOM 314 HA3 GLY A 23 0.529 5.914 -32.983 1.00 0.00 H ATOM 315 HA2 GLY A 23 0.605 4.146 -33.169 1.00 0.00 H ATOM 316 H GLY A 23 2.853 5.089 -31.598 1.00 0.00 H ATOM 317 N LEU A 24 1.642 5.385 -35.318 1.00 10.23 N ATOM 318 CA LEU A 24 2.437 5.623 -36.507 1.00 10.04 C ATOM 319 C LEU A 24 2.127 7.006 -37.062 1.00 9.95 C ATOM 320 O LEU A 24 0.962 7.384 -37.187 1.00 10.33 O ATOM 321 CB LEU A 24 2.126 4.563 -37.574 1.00 10.18 C ATOM 322 CG LEU A 24 2.773 4.767 -38.952 1.00 10.25 C ATOM 323 CD1 LEU A 24 4.273 4.499 -38.912 1.00 11.35 C ATOM 324 CD2 LEU A 24 2.090 3.916 -40.026 1.00 10.46 C ATOM 325 HA LEU A 24 3.493 5.563 -36.242 1.00 0.00 H ATOM 326 HB2 LEU A 24 2.460 3.599 -37.191 1.00 0.00 H ATOM 327 HB3 LEU A 24 1.045 4.542 -37.715 1.00 0.00 H ATOM 328 HG LEU A 24 2.632 5.814 -39.221 1.00 0.00 H ATOM 329 HD21 LEU A 24 2.172 2.862 -39.759 1.00 0.00 H ATOM 330 HD22 LEU A 24 1.038 4.194 -40.094 1.00 0.00 H ATOM 331 HD23 LEU A 24 2.575 4.087 -40.987 1.00 0.00 H ATOM 332 HD11 LEU A 24 4.744 5.182 -38.205 1.00 0.00 H ATOM 333 HD12 LEU A 24 4.449 3.470 -38.597 1.00 0.00 H ATOM 334 HD13 LEU A 24 4.695 4.654 -39.905 1.00 0.00 H ATOM 335 H LEU A 24 0.607 5.351 -35.409 1.00 0.00 H ATOM 336 N VAL A 25 3.175 7.755 -37.385 1.00 10.17 N ATOM 337 CA VAL A 25 3.030 8.972 -38.173 1.00 10.47 C ATOM 338 C VAL A 25 3.047 8.529 -39.643 1.00 11.05 C ATOM 339 O VAL A 25 4.074 8.046 -40.128 1.00 11.32 O ATOM 340 CB VAL A 25 4.154 9.995 -37.885 1.00 10.58 C ATOM 341 CG1 VAL A 25 3.963 11.255 -38.735 1.00 10.13 C ATOM 342 CG2 VAL A 25 4.192 10.352 -36.399 1.00 11.10 C ATOM 343 HA VAL A 25 2.102 9.484 -37.918 1.00 0.00 H ATOM 344 HB VAL A 25 5.108 9.539 -38.152 1.00 0.00 H ATOM 345 HG11 VAL A 25 3.990 10.987 -39.791 1.00 0.00 H ATOM 346 HG12 VAL A 25 3.001 11.709 -38.498 1.00 0.00 H ATOM 347 HG13 VAL A 25 4.763 11.963 -38.518 1.00 0.00 H ATOM 348 HG21 VAL A 25 3.236 10.786 -36.106 1.00 0.00 H ATOM 349 HG22 VAL A 25 4.377 9.451 -35.815 1.00 0.00 H ATOM 350 HG23 VAL A 25 4.990 11.073 -36.220 1.00 0.00 H ATOM 351 H VAL A 25 4.122 7.466 -37.068 1.00 0.00 H ATOM 352 N PRO A 26 1.902 8.661 -40.343 1.00 11.73 N ATOM 353 CA PRO A 26 1.797 8.169 -41.724 1.00 12.27 C ATOM 354 C PRO A 26 2.606 9.010 -42.720 1.00 13.03 C ATOM 355 O PRO A 26 3.046 10.117 -42.382 1.00 12.76 O ATOM 356 CB PRO A 26 0.291 8.269 -42.018 1.00 12.48 C ATOM 357 CG PRO A 26 -0.199 9.354 -41.117 1.00 12.05 C ATOM 358 CD PRO A 26 0.626 9.232 -39.865 1.00 11.73 C ATOM 359 HA PRO A 26 2.201 7.162 -41.829 1.00 0.00 H ATOM 360 HD3 PRO A 26 0.784 10.208 -39.406 1.00 0.00 H ATOM 361 HD2 PRO A 26 0.147 8.567 -39.146 1.00 0.00 H ATOM 362 HG3 PRO A 26 -1.257 9.216 -40.893 1.00 0.00 H ATOM 363 HG2 PRO A 26 -0.051 10.330 -41.579 1.00 0.00 H ATOM 364 HB2 PRO A 26 0.119 8.529 -43.062 1.00 0.00 H ATOM 365 HB3 PRO A 26 -0.209 7.327 -41.793 1.00 0.00 H ATOM 366 N PRO A 27 2.825 8.486 -43.941 1.00 13.47 N ATOM 367 CA PRO A 27 3.495 9.288 -44.960 1.00 14.28 C ATOM 368 C PRO A 27 2.790 10.625 -45.153 1.00 14.67 C ATOM 369 O PRO A 27 1.553 10.682 -45.141 1.00 14.97 O ATOM 370 CB PRO A 27 3.358 8.437 -46.226 1.00 14.15 C ATOM 371 CG PRO A 27 3.225 7.056 -45.740 1.00 14.38 C ATOM 372 CD PRO A 27 2.490 7.137 -44.434 1.00 13.85 C ATOM 373 HA PRO A 27 4.528 9.520 -44.699 1.00 0.00 H ATOM 374 HD3 PRO A 27 1.415 7.031 -44.583 1.00 0.00 H ATOM 375 HD2 PRO A 27 2.837 6.370 -43.742 1.00 0.00 H ATOM 376 HG3 PRO A 27 4.209 6.611 -45.592 1.00 0.00 H ATOM 377 HG2 PRO A 27 2.660 6.457 -46.455 1.00 0.00 H ATOM 378 HB2 PRO A 27 2.475 8.731 -46.793 1.00 0.00 H ATOM 379 HB3 PRO A 27 4.242 8.539 -46.855 1.00 0.00 H ATOM 380 N ASN A 28 3.579 11.684 -45.327 1.00 14.97 N ATOM 381 CA ASN A 28 3.069 13.040 -45.555 1.00 15.23 C ATOM 382 C ASN A 28 2.016 13.489 -44.539 1.00 15.06 C ATOM 383 O ASN A 28 1.057 14.182 -44.887 1.00 15.05 O ATOM 384 CB ASN A 28 2.530 13.186 -46.981 1.00 15.50 C ATOM 385 CG ASN A 28 2.476 14.629 -47.441 1.00 15.99 C ATOM 386 OD1 ASN A 28 1.612 15.007 -48.230 1.00 17.26 O ATOM 387 ND2 ASN A 28 3.404 15.445 -46.948 1.00 16.47 N ATOM 388 HA ASN A 28 3.924 13.702 -45.417 1.00 0.00 H ATOM 389 HB2 ASN A 28 3.177 12.628 -47.658 1.00 0.00 H ATOM 390 HB3 ASN A 28 1.523 12.770 -47.018 1.00 0.00 H ATOM 391 HD22 ASN A 28 4.116 15.081 -46.283 1.00 0.00 H ATOM 392 HD21 ASN A 28 3.418 16.447 -47.228 1.00 0.00 H ATOM 393 H ASN A 28 4.609 11.542 -45.300 1.00 0.00 H ATOM 394 N ALA A 29 2.198 13.078 -43.286 1.00 14.78 N ATOM 395 CA ALA A 29 1.338 13.537 -42.190 1.00 14.25 C ATOM 396 C ALA A 29 1.519 15.037 -41.977 1.00 13.65 C ATOM 397 O ALA A 29 2.638 15.553 -42.080 1.00 13.62 O ATOM 398 CB ALA A 29 1.655 12.785 -40.912 1.00 13.89 C ATOM 399 HA ALA A 29 0.300 13.339 -42.457 1.00 0.00 H ATOM 400 HB1 ALA A 29 1.490 11.719 -41.069 1.00 0.00 H ATOM 401 HB2 ALA A 29 2.696 12.956 -40.640 1.00 0.00 H ATOM 402 HB3 ALA A 29 1.006 13.141 -40.112 1.00 0.00 H ATOM 403 H ALA A 29 2.971 12.414 -43.079 1.00 0.00 H ATOM 404 N SER A 30 0.417 15.729 -41.703 1.00 12.95 N ATOM 405 CA SER A 30 0.469 17.167 -41.448 1.00 12.59 C ATOM 406 C SER A 30 0.769 17.454 -39.980 1.00 12.02 C ATOM 407 O SER A 30 1.773 18.084 -39.657 1.00 12.04 O ATOM 408 CB SER A 30 -0.843 17.839 -41.865 1.00 13.06 C ATOM 409 OG SER A 30 -1.944 17.241 -41.201 1.00 14.88 O ATOM 410 HA SER A 30 1.278 17.583 -42.048 1.00 0.00 H ATOM 411 HB2 SER A 30 -0.973 17.733 -42.942 1.00 0.00 H ATOM 412 HB3 SER A 30 -0.801 18.897 -41.608 1.00 0.00 H ATOM 413 HG SER A 30 -1.987 16.280 -41.435 1.00 0.00 H ATOM 414 H SER A 30 -0.499 15.238 -41.670 1.00 0.00 H ATOM 415 N ARG A 31 -0.116 16.993 -39.103 1.00 11.21 N ATOM 416 CA ARG A 31 -0.016 17.251 -37.666 1.00 10.71 C ATOM 417 C ARG A 31 -1.046 16.421 -36.922 1.00 10.24 C ATOM 418 O ARG A 31 -2.080 16.049 -37.485 1.00 10.47 O ATOM 419 CB ARG A 31 -0.222 18.743 -37.351 1.00 10.59 C ATOM 420 CG ARG A 31 -1.489 19.357 -37.939 1.00 11.14 C ATOM 421 CD ARG A 31 -1.546 20.857 -37.692 1.00 11.81 C ATOM 422 NE ARG A 31 -0.428 21.562 -38.314 1.00 13.16 N ATOM 423 CZ ARG A 31 -0.219 22.873 -38.223 1.00 13.17 C ATOM 424 NH1 ARG A 31 -1.052 23.646 -37.530 1.00 13.10 N ATOM 425 NH2 ARG A 31 0.834 23.414 -38.820 1.00 13.36 N ATOM 426 HA ARG A 31 0.986 16.971 -37.340 1.00 0.00 H ATOM 427 HB2 ARG A 31 -0.261 18.858 -36.268 1.00 0.00 H ATOM 428 HB3 ARG A 31 0.634 19.293 -37.743 1.00 0.00 H ATOM 429 HG2 ARG A 31 -1.507 19.173 -39.013 1.00 0.00 H ATOM 430 HG3 ARG A 31 -2.358 18.888 -37.477 1.00 0.00 H ATOM 431 HD2 ARG A 31 -1.521 21.037 -36.617 1.00 0.00 H ATOM 432 HD3 ARG A 31 -2.478 21.245 -38.102 1.00 0.00 H ATOM 433 HE ARG A 31 0.251 21.001 -38.866 1.00 0.00 H ATOM 434 HH12 ARG A 31 -0.879 24.670 -37.465 1.00 0.00 H ATOM 435 HH11 ARG A 31 -1.876 23.226 -37.053 1.00 0.00 H ATOM 436 HH22 ARG A 31 1.001 24.438 -38.752 1.00 0.00 H ATOM 437 HH21 ARG A 31 1.493 22.814 -39.357 1.00 0.00 H ATOM 438 H ARG A 31 -0.914 16.425 -39.453 1.00 0.00 H ATOM 439 N PHE A 32 -0.769 16.133 -35.652 1.00 9.65 N ATOM 440 CA PHE A 32 -1.733 15.424 -34.817 1.00 9.69 C ATOM 441 C PHE A 32 -1.637 15.932 -33.391 1.00 9.56 C ATOM 442 O PHE A 32 -0.740 16.712 -33.077 1.00 9.45 O ATOM 443 CB PHE A 32 -1.524 13.900 -34.896 1.00 9.67 C ATOM 444 CG PHE A 32 -0.271 13.402 -34.219 1.00 9.92 C ATOM 445 CD1 PHE A 32 0.948 13.385 -34.896 1.00 10.81 C ATOM 446 CD2 PHE A 32 -0.322 12.906 -32.913 1.00 10.19 C ATOM 447 CE1 PHE A 32 2.110 12.903 -34.271 1.00 11.43 C ATOM 448 CE2 PHE A 32 0.830 12.424 -32.285 1.00 11.18 C ATOM 449 CZ PHE A 32 2.044 12.423 -32.966 1.00 11.35 C ATOM 450 HA PHE A 32 -2.739 15.621 -35.187 1.00 0.00 H ATOM 451 HB2 PHE A 32 -2.380 13.414 -34.427 1.00 0.00 H ATOM 452 HB3 PHE A 32 -1.478 13.617 -35.948 1.00 0.00 H ATOM 453 HD2 PHE A 32 -1.272 12.895 -32.378 1.00 0.00 H ATOM 454 HE2 PHE A 32 0.778 12.049 -31.263 1.00 0.00 H ATOM 455 HZ PHE A 32 2.943 12.046 -32.478 1.00 0.00 H ATOM 456 HE1 PHE A 32 3.060 12.905 -34.806 1.00 0.00 H ATOM 457 HD1 PHE A 32 1.000 13.750 -35.922 1.00 0.00 H ATOM 458 H PHE A 32 0.147 16.417 -35.250 1.00 0.00 H ATOM 459 N HIS A 33 -2.556 15.496 -32.535 1.00 9.76 N ATOM 460 CA HIS A 33 -2.574 15.986 -31.159 1.00 9.74 C ATOM 461 C HIS A 33 -3.063 14.969 -30.148 1.00 9.56 C ATOM 462 O HIS A 33 -3.833 14.062 -30.478 1.00 9.38 O ATOM 463 CB HIS A 33 -3.425 17.253 -31.049 1.00 10.08 C ATOM 464 CG HIS A 33 -4.808 17.093 -31.595 1.00 11.09 C ATOM 465 ND1 HIS A 33 -5.131 17.393 -32.901 1.00 12.60 N ATOM 466 CD2 HIS A 33 -5.946 16.641 -31.019 1.00 13.32 C ATOM 467 CE1 HIS A 33 -6.411 17.138 -33.104 1.00 13.39 C ATOM 468 NE2 HIS A 33 -6.929 16.681 -31.978 1.00 14.05 N ATOM 469 HA HIS A 33 -1.533 16.201 -30.915 1.00 0.00 H ATOM 470 HB2 HIS A 33 -3.499 17.529 -29.997 1.00 0.00 H ATOM 471 HB3 HIS A 33 -2.927 18.052 -31.599 1.00 0.00 H ATOM 472 HD2 HIS A 33 -6.061 16.308 -29.988 1.00 0.00 H ATOM 473 HE1 HIS A 33 -6.949 17.280 -34.041 1.00 0.00 H ATOM 474 H HIS A 33 -3.266 14.803 -32.847 1.00 0.00 H ATOM 475 N VAL A 34 -2.583 15.141 -28.920 1.00 9.09 N ATOM 476 CA VAL A 34 -3.102 14.450 -27.742 1.00 9.28 C ATOM 477 C VAL A 34 -3.653 15.538 -26.822 1.00 9.47 C ATOM 478 O VAL A 34 -2.933 16.462 -26.452 1.00 9.83 O ATOM 479 CB VAL A 34 -1.995 13.646 -27.027 1.00 9.16 C ATOM 480 CG1 VAL A 34 -2.541 12.971 -25.763 1.00 9.51 C ATOM 481 CG2 VAL A 34 -1.391 12.617 -27.969 1.00 9.39 C ATOM 482 HA VAL A 34 -3.872 13.731 -28.022 1.00 0.00 H ATOM 483 HB VAL A 34 -1.209 14.339 -26.726 1.00 0.00 H ATOM 484 HG11 VAL A 34 -2.919 13.732 -25.081 1.00 0.00 H ATOM 485 HG12 VAL A 34 -3.349 12.292 -26.035 1.00 0.00 H ATOM 486 HG13 VAL A 34 -1.742 12.411 -25.278 1.00 0.00 H ATOM 487 HG21 VAL A 34 -2.169 11.930 -28.302 1.00 0.00 H ATOM 488 HG22 VAL A 34 -0.959 13.125 -28.831 1.00 0.00 H ATOM 489 HG23 VAL A 34 -0.613 12.061 -27.447 1.00 0.00 H ATOM 490 H VAL A 34 -1.793 15.805 -28.791 1.00 0.00 H ATOM 491 N ASN A 35 -4.938 15.437 -26.481 1.00 9.54 N ATOM 492 CA ASN A 35 -5.592 16.398 -25.595 1.00 10.04 C ATOM 493 C ASN A 35 -5.986 15.770 -24.274 1.00 10.12 C ATOM 494 O ASN A 35 -6.551 14.675 -24.245 1.00 10.23 O ATOM 495 CB ASN A 35 -6.849 16.982 -26.249 1.00 9.94 C ATOM 496 CG ASN A 35 -6.531 17.883 -27.430 1.00 10.79 C ATOM 497 OD1 ASN A 35 -5.464 18.490 -27.492 1.00 11.76 O ATOM 498 ND2 ASN A 35 -7.463 17.970 -28.377 1.00 12.52 N ATOM 499 HA ASN A 35 -4.866 17.190 -25.411 1.00 0.00 H ATOM 500 HB2 ASN A 35 -7.476 16.160 -26.596 1.00 0.00 H ATOM 501 HB3 ASN A 35 -7.393 17.563 -25.504 1.00 0.00 H ATOM 502 HD22 ASN A 35 -8.352 17.438 -28.282 1.00 0.00 H ATOM 503 HD21 ASN A 35 -7.302 18.570 -29.211 1.00 0.00 H ATOM 504 H ASN A 35 -5.496 14.645 -26.860 1.00 0.00 H ATOM 505 N LEU A 36 -5.686 16.473 -23.186 1.00 10.03 N ATOM 506 CA LEU A 36 -6.162 16.085 -21.863 1.00 10.51 C ATOM 507 C LEU A 36 -7.286 17.043 -21.510 1.00 10.99 C ATOM 508 O LEU A 36 -7.053 18.227 -21.245 1.00 10.99 O ATOM 509 CB LEU A 36 -5.024 16.131 -20.841 1.00 10.69 C ATOM 510 CG LEU A 36 -4.070 14.931 -20.768 1.00 12.03 C ATOM 511 CD1 LEU A 36 -3.470 14.517 -22.106 1.00 13.18 C ATOM 512 CD2 LEU A 36 -2.954 15.231 -19.792 1.00 11.25 C ATOM 513 HA LEU A 36 -6.527 15.058 -21.856 1.00 0.00 H ATOM 514 HB2 LEU A 36 -4.421 17.011 -21.066 1.00 0.00 H ATOM 515 HB3 LEU A 36 -5.477 16.245 -19.856 1.00 0.00 H ATOM 516 HG LEU A 36 -4.676 14.089 -20.435 1.00 0.00 H ATOM 517 HD21 LEU A 36 -2.406 16.111 -20.128 1.00 0.00 H ATOM 518 HD22 LEU A 36 -3.377 15.420 -18.805 1.00 0.00 H ATOM 519 HD23 LEU A 36 -2.278 14.378 -19.742 1.00 0.00 H ATOM 520 HD11 LEU A 36 -4.271 14.244 -22.793 1.00 0.00 H ATOM 521 HD12 LEU A 36 -2.902 15.349 -22.521 1.00 0.00 H ATOM 522 HD13 LEU A 36 -2.810 13.662 -21.958 1.00 0.00 H ATOM 523 H LEU A 36 -5.095 17.324 -23.281 1.00 0.00 H ATOM 524 N LEU A 37 -8.509 16.522 -21.548 1.00 11.58 N ATOM 525 CA LEU A 37 -9.717 17.348 -21.519 1.00 12.49 C ATOM 526 C LEU A 37 -10.471 17.265 -20.198 1.00 13.12 C ATOM 527 O LEU A 37 -10.402 16.251 -19.497 1.00 12.91 O ATOM 528 CB LEU A 37 -10.647 16.959 -22.678 1.00 12.57 C ATOM 529 CG LEU A 37 -10.083 17.160 -24.090 1.00 12.81 C ATOM 530 CD1 LEU A 37 -11.012 16.562 -25.144 1.00 14.94 C ATOM 531 CD2 LEU A 37 -9.813 18.634 -24.384 1.00 14.73 C ATOM 532 HA LEU A 37 -9.391 18.382 -21.629 1.00 0.00 H ATOM 533 HB2 LEU A 37 -10.897 15.904 -22.566 1.00 0.00 H ATOM 534 HB3 LEU A 37 -11.554 17.557 -22.593 1.00 0.00 H ATOM 535 HG LEU A 37 -9.130 16.632 -24.135 1.00 0.00 H ATOM 536 HD21 LEU A 37 -10.743 19.196 -24.302 1.00 0.00 H ATOM 537 HD22 LEU A 37 -9.089 19.020 -23.666 1.00 0.00 H ATOM 538 HD23 LEU A 37 -9.414 18.735 -25.393 1.00 0.00 H ATOM 539 HD11 LEU A 37 -11.125 15.493 -24.962 1.00 0.00 H ATOM 540 HD12 LEU A 37 -11.986 17.047 -25.085 1.00 0.00 H ATOM 541 HD13 LEU A 37 -10.585 16.720 -26.134 1.00 0.00 H ATOM 542 H LEU A 37 -8.611 15.488 -21.600 1.00 0.00 H ATOM 543 N CYS A 38 -11.203 18.332 -19.885 1.00 14.07 N ATOM 544 CA CYS A 38 -11.884 18.469 -18.594 1.00 15.47 C ATOM 545 C CYS A 38 -13.360 18.092 -18.648 1.00 16.39 C ATOM 546 O CYS A 38 -14.076 18.205 -17.646 1.00 16.69 O ATOM 547 CB CYS A 38 -11.709 19.893 -18.052 1.00 15.48 C ATOM 548 SG CYS A 38 -9.991 20.327 -17.735 1.00 17.24 S ATOM 549 HA CYS A 38 -11.413 17.759 -17.914 1.00 0.00 H ATOM 550 HB2 CYS A 38 -12.266 19.979 -17.119 1.00 0.00 H ATOM 551 HB3 CYS A 38 -12.114 20.594 -18.782 1.00 0.00 H ATOM 552 HG CYS A 38 -9.926 21.618 -17.252 1.00 0.00 H ATOM 553 H CYS A 38 -11.295 19.098 -20.583 1.00 0.00 H ATOM 554 N GLY A 39 -13.796 17.624 -19.815 1.00 17.09 N ATOM 555 CA GLY A 39 -15.174 17.189 -20.035 1.00 18.58 C ATOM 556 C GLY A 39 -15.330 16.461 -21.358 1.00 19.46 C ATOM 557 O GLY A 39 -14.460 16.546 -22.229 1.00 19.53 O ATOM 558 HA3 GLY A 39 -15.825 18.063 -20.034 1.00 0.00 H ATOM 559 HA2 GLY A 39 -15.466 16.519 -19.226 1.00 0.00 H ATOM 560 H GLY A 39 -13.125 17.565 -20.607 1.00 0.00 H ATOM 561 N GLU A 40 -16.448 15.752 -21.509 1.00 20.26 N ATOM 562 CA GLU A 40 -16.746 14.998 -22.728 1.00 21.07 C ATOM 563 C GLU A 40 -17.346 15.866 -23.827 1.00 21.16 C ATOM 564 O GLU A 40 -17.303 15.506 -25.008 1.00 21.47 O ATOM 565 CB GLU A 40 -17.715 13.860 -22.423 1.00 21.38 C ATOM 566 CG GLU A 40 -17.087 12.661 -21.764 1.00 22.95 C ATOM 567 CD GLU A 40 -18.019 11.472 -21.750 1.00 24.37 C ATOM 568 OE1 GLU A 40 -19.068 11.536 -21.067 1.00 24.24 O ATOM 569 OE2 GLU A 40 -17.705 10.475 -22.432 1.00 26.04 O ATOM 570 HA GLU A 40 -15.794 14.607 -23.087 1.00 0.00 H ATOM 571 HB2 GLU A 40 -18.492 14.243 -21.762 1.00 0.00 H ATOM 572 HB3 GLU A 40 -18.165 13.536 -23.361 1.00 0.00 H ATOM 573 HG2 GLU A 40 -16.182 12.393 -22.309 1.00 0.00 H ATOM 574 HG3 GLU A 40 -16.828 12.918 -20.737 1.00 0.00 H ATOM 575 H GLU A 40 -17.136 15.734 -20.730 1.00 0.00 H ATOM 576 N GLU A 41 -17.919 16.997 -23.427 1.00 21.08 N ATOM 577 CA GLU A 41 -18.588 17.903 -24.353 1.00 21.03 C ATOM 578 C GLU A 41 -17.594 18.509 -25.336 1.00 20.87 C ATOM 579 O GLU A 41 -16.464 18.829 -24.970 1.00 20.82 O ATOM 580 CB GLU A 41 -19.313 19.019 -23.590 1.00 21.02 C ATOM 581 CG GLU A 41 -20.357 18.539 -22.575 1.00 21.59 C ATOM 582 CD GLU A 41 -19.784 18.270 -21.186 1.00 22.52 C ATOM 583 OE1 GLU A 41 -18.544 18.174 -21.035 1.00 22.73 O ATOM 584 OE2 GLU A 41 -20.583 18.157 -20.234 1.00 22.99 O ATOM 585 HA GLU A 41 -19.322 17.324 -24.913 1.00 0.00 H ATOM 586 HB2 GLU A 41 -18.565 19.604 -23.055 1.00 0.00 H ATOM 587 HB3 GLU A 41 -19.817 19.655 -24.318 1.00 0.00 H ATOM 588 HG2 GLU A 41 -21.129 19.304 -22.487 1.00 0.00 H ATOM 589 HG3 GLU A 41 -20.802 17.617 -22.949 1.00 0.00 H ATOM 590 H GLU A 41 -17.889 17.244 -22.417 1.00 0.00 H ATOM 591 N GLN A 42 -18.025 18.642 -26.585 1.00 20.61 N ATOM 592 CA GLN A 42 -17.280 19.357 -27.609 1.00 20.40 C ATOM 593 C GLN A 42 -16.984 20.766 -27.095 1.00 19.90 C ATOM 594 O GLN A 42 -17.891 21.477 -26.659 1.00 19.80 O ATOM 595 CB GLN A 42 -18.120 19.414 -28.890 1.00 20.59 C ATOM 596 CG GLN A 42 -17.381 19.795 -30.151 1.00 22.55 C ATOM 597 CD GLN A 42 -18.111 19.324 -31.401 1.00 24.45 C ATOM 598 OE1 GLN A 42 -18.717 20.121 -32.116 1.00 26.41 O ATOM 599 NE2 GLN A 42 -18.067 18.019 -31.660 1.00 25.63 N ATOM 600 HA GLN A 42 -16.341 18.851 -27.831 1.00 0.00 H ATOM 601 HB2 GLN A 42 -18.559 18.428 -29.045 1.00 0.00 H ATOM 602 HB3 GLN A 42 -18.915 20.144 -28.736 1.00 0.00 H ATOM 603 HG2 GLN A 42 -17.282 20.880 -30.188 1.00 0.00 H ATOM 604 HG3 GLN A 42 -16.390 19.342 -30.130 1.00 0.00 H ATOM 605 HE22 GLN A 42 -17.542 17.381 -31.028 1.00 0.00 H ATOM 606 HE21 GLN A 42 -18.557 17.638 -32.494 1.00 0.00 H ATOM 607 H GLN A 42 -18.938 18.215 -26.843 1.00 0.00 H ATOM 608 N GLY A 43 -15.709 21.147 -27.108 1.00 19.21 N ATOM 609 CA GLY A 43 -15.299 22.478 -26.662 1.00 18.22 C ATOM 610 C GLY A 43 -14.887 22.598 -25.201 1.00 17.50 C ATOM 611 O GLY A 43 -14.620 23.704 -24.723 1.00 17.76 O ATOM 612 HA3 GLY A 43 -16.135 23.158 -26.830 1.00 0.00 H ATOM 613 HA2 GLY A 43 -14.452 22.788 -27.274 1.00 0.00 H ATOM 614 H GLY A 43 -14.985 20.480 -27.444 1.00 0.00 H ATOM 615 N SER A 44 -14.828 21.471 -24.494 1.00 17.21 N ATOM 616 CA SER A 44 -14.439 21.467 -23.083 1.00 16.63 C ATOM 617 C SER A 44 -12.983 21.888 -22.917 1.00 15.94 C ATOM 618 O SER A 44 -12.180 21.734 -23.841 1.00 15.96 O ATOM 619 CB SER A 44 -14.668 20.090 -22.457 1.00 16.79 C ATOM 620 OG SER A 44 -13.895 19.096 -23.102 1.00 17.50 O ATOM 621 HA SER A 44 -15.067 22.191 -22.564 1.00 0.00 H ATOM 622 HB2 SER A 44 -15.723 19.831 -22.544 1.00 0.00 H ATOM 623 HB3 SER A 44 -14.390 20.128 -21.404 1.00 0.00 H ATOM 624 HG SER A 44 -14.065 18.219 -22.675 1.00 0.00 H ATOM 625 H SER A 44 -15.065 20.570 -24.957 1.00 0.00 H ATOM 626 N ASP A 45 -12.658 22.425 -21.741 1.00 15.31 N ATOM 627 CA ASP A 45 -11.305 22.916 -21.438 1.00 14.20 C ATOM 628 C ASP A 45 -10.226 21.850 -21.617 1.00 13.34 C ATOM 629 O ASP A 45 -10.433 20.674 -21.299 1.00 13.25 O ATOM 630 CB ASP A 45 -11.227 23.464 -20.011 1.00 14.32 C ATOM 631 CG ASP A 45 -12.093 24.694 -19.797 1.00 14.47 C ATOM 632 OD1 ASP A 45 -12.646 25.242 -20.783 1.00 14.53 O ATOM 633 OD2 ASP A 45 -12.204 25.120 -18.626 1.00 15.39 O ATOM 634 HA ASP A 45 -11.113 23.712 -22.158 1.00 0.00 H ATOM 635 HB2 ASP A 45 -11.553 22.685 -19.322 1.00 0.00 H ATOM 636 HB3 ASP A 45 -10.191 23.727 -19.796 1.00 0.00 H ATOM 637 H ASP A 45 -13.391 22.500 -21.007 1.00 0.00 H ATOM 638 N ALA A 46 -9.073 22.276 -22.122 1.00 12.12 N ATOM 639 CA ALA A 46 -7.934 21.386 -22.287 1.00 11.37 C ATOM 640 C ALA A 46 -6.833 21.780 -21.312 1.00 10.67 C ATOM 641 O ALA A 46 -6.304 22.890 -21.377 1.00 10.84 O ATOM 642 CB ALA A 46 -7.424 21.430 -23.721 1.00 11.21 C ATOM 643 HA ALA A 46 -8.247 20.364 -22.073 1.00 0.00 H ATOM 644 HB1 ALA A 46 -8.219 21.117 -24.398 1.00 0.00 H ATOM 645 HB2 ALA A 46 -7.117 22.447 -23.965 1.00 0.00 H ATOM 646 HB3 ALA A 46 -6.572 20.758 -23.823 1.00 0.00 H ATOM 647 H ALA A 46 -8.982 23.272 -22.407 1.00 0.00 H ATOM 648 N ALA A 47 -6.500 20.868 -20.399 1.00 9.88 N ATOM 649 CA ALA A 47 -5.380 21.074 -19.479 1.00 9.18 C ATOM 650 C ALA A 47 -4.054 20.966 -20.219 1.00 9.15 C ATOM 651 O ALA A 47 -3.072 21.616 -19.851 1.00 8.60 O ATOM 652 CB ALA A 47 -5.437 20.068 -18.332 1.00 9.48 C ATOM 653 HA ALA A 47 -5.459 22.077 -19.060 1.00 0.00 H ATOM 654 HB1 ALA A 47 -6.372 20.194 -17.786 1.00 0.00 H ATOM 655 HB2 ALA A 47 -5.383 19.056 -18.735 1.00 0.00 H ATOM 656 HB3 ALA A 47 -4.596 20.238 -17.659 1.00 0.00 H ATOM 657 H ALA A 47 -7.050 19.987 -20.339 1.00 0.00 H ATOM 658 N LEU A 48 -4.041 20.133 -21.259 1.00 8.87 N ATOM 659 CA LEU A 48 -2.886 19.987 -22.139 1.00 9.13 C ATOM 660 C LEU A 48 -3.327 19.646 -23.555 1.00 8.92 C ATOM 661 O LEU A 48 -4.156 18.755 -23.766 1.00 9.19 O ATOM 662 CB LEU A 48 -1.917 18.913 -21.618 1.00 9.50 C ATOM 663 CG LEU A 48 -0.709 18.555 -22.502 1.00 9.59 C ATOM 664 CD1 LEU A 48 0.238 19.737 -22.659 1.00 10.96 C ATOM 665 CD2 LEU A 48 0.038 17.350 -21.933 1.00 10.23 C ATOM 666 HA LEU A 48 -2.362 20.943 -22.152 1.00 0.00 H ATOM 667 HB2 LEU A 48 -1.529 19.260 -20.660 1.00 0.00 H ATOM 668 HB3 LEU A 48 -2.493 18.000 -21.466 1.00 0.00 H ATOM 669 HG LEU A 48 -1.091 18.297 -23.490 1.00 0.00 H ATOM 670 HD21 LEU A 48 0.392 17.585 -20.929 1.00 0.00 H ATOM 671 HD22 LEU A 48 -0.635 16.494 -21.891 1.00 0.00 H ATOM 672 HD23 LEU A 48 0.888 17.115 -22.574 1.00 0.00 H ATOM 673 HD11 LEU A 48 -0.294 20.568 -23.121 1.00 0.00 H ATOM 674 HD12 LEU A 48 0.605 20.039 -21.678 1.00 0.00 H ATOM 675 HD13 LEU A 48 1.078 19.446 -23.289 1.00 0.00 H ATOM 676 H LEU A 48 -4.889 19.563 -21.452 1.00 0.00 H ATOM 677 N HIS A 49 -2.779 20.393 -24.510 1.00 8.71 N ATOM 678 CA HIS A 49 -2.895 20.123 -25.936 1.00 8.56 C ATOM 679 C HIS A 49 -1.452 19.934 -26.380 1.00 8.48 C ATOM 680 O HIS A 49 -0.641 20.861 -26.316 1.00 8.32 O ATOM 681 CB HIS A 49 -3.564 21.324 -26.626 1.00 9.00 C ATOM 682 CG HIS A 49 -3.504 21.311 -28.125 1.00 8.73 C ATOM 683 ND1 HIS A 49 -4.273 20.468 -28.903 1.00 9.34 N ATOM 684 CD2 HIS A 49 -2.829 22.106 -28.991 1.00 10.09 C ATOM 685 CE1 HIS A 49 -4.038 20.715 -30.179 1.00 9.33 C ATOM 686 NE2 HIS A 49 -3.168 21.706 -30.260 1.00 9.90 N ATOM 687 HA HIS A 49 -3.506 19.255 -26.182 1.00 0.00 H ATOM 688 HB2 HIS A 49 -4.613 21.343 -26.330 1.00 0.00 H ATOM 689 HB3 HIS A 49 -3.073 22.232 -26.276 1.00 0.00 H ATOM 690 HD2 HIS A 49 -2.144 22.913 -28.729 1.00 0.00 H ATOM 691 HE1 HIS A 49 -4.486 20.190 -31.023 1.00 0.00 H ATOM 692 H HIS A 49 -2.230 21.227 -24.218 1.00 0.00 H ATOM 693 N PHE A 50 -1.131 18.694 -26.746 1.00 8.62 N ATOM 694 CA PHE A 50 0.202 18.286 -27.179 1.00 8.41 C ATOM 695 C PHE A 50 0.125 18.044 -28.682 1.00 8.82 C ATOM 696 O PHE A 50 -0.567 17.131 -29.133 1.00 8.29 O ATOM 697 CB PHE A 50 0.615 17.011 -26.417 1.00 8.93 C ATOM 698 CG PHE A 50 1.879 16.357 -26.925 1.00 9.51 C ATOM 699 CD1 PHE A 50 3.128 16.874 -26.603 1.00 10.75 C ATOM 700 CD2 PHE A 50 1.815 15.201 -27.703 1.00 11.73 C ATOM 701 CE1 PHE A 50 4.299 16.268 -27.062 1.00 12.05 C ATOM 702 CE2 PHE A 50 2.979 14.582 -28.163 1.00 12.17 C ATOM 703 CZ PHE A 50 4.226 15.121 -27.842 1.00 11.56 C ATOM 704 HA PHE A 50 0.953 19.048 -26.969 1.00 0.00 H ATOM 705 HB2 PHE A 50 0.765 17.274 -25.370 1.00 0.00 H ATOM 706 HB3 PHE A 50 -0.198 16.289 -26.496 1.00 0.00 H ATOM 707 HD2 PHE A 50 0.844 14.775 -27.955 1.00 0.00 H ATOM 708 HE2 PHE A 50 2.914 13.680 -28.771 1.00 0.00 H ATOM 709 HZ PHE A 50 5.138 14.644 -28.202 1.00 0.00 H ATOM 710 HE1 PHE A 50 5.270 16.695 -26.809 1.00 0.00 H ATOM 711 HD1 PHE A 50 3.195 17.767 -25.982 1.00 0.00 H ATOM 712 H PHE A 50 -1.878 17.970 -26.722 1.00 0.00 H ATOM 713 N ASN A 51 0.829 18.872 -29.452 1.00 8.72 N ATOM 714 CA ASN A 51 0.560 18.998 -30.892 1.00 9.13 C ATOM 715 C ASN A 51 1.818 18.926 -31.780 1.00 9.35 C ATOM 716 O ASN A 51 2.378 19.965 -32.158 1.00 9.54 O ATOM 717 CB ASN A 51 -0.225 20.311 -31.119 1.00 8.89 C ATOM 718 CG ASN A 51 -0.665 20.534 -32.569 1.00 9.28 C ATOM 719 OD1 ASN A 51 -0.845 21.683 -32.983 1.00 9.89 O ATOM 720 ND2 ASN A 51 -0.843 19.457 -33.340 1.00 7.93 N ATOM 721 HA ASN A 51 -0.031 18.136 -31.201 1.00 0.00 H ATOM 722 HB2 ASN A 51 -1.115 20.291 -30.490 1.00 0.00 H ATOM 723 HB3 ASN A 51 0.410 21.146 -30.821 1.00 0.00 H ATOM 724 HD22 ASN A 51 -0.680 18.506 -32.951 1.00 0.00 H ATOM 725 HD21 ASN A 51 -1.144 19.570 -34.329 1.00 0.00 H ATOM 726 H ASN A 51 1.586 19.443 -29.025 1.00 0.00 H ATOM 727 N PRO A 52 2.270 17.698 -32.117 1.00 9.37 N ATOM 728 CA PRO A 52 3.353 17.566 -33.096 1.00 9.38 C ATOM 729 C PRO A 52 2.910 18.009 -34.493 1.00 9.58 C ATOM 730 O PRO A 52 1.923 17.496 -35.028 1.00 9.39 O ATOM 731 CB PRO A 52 3.663 16.066 -33.078 1.00 9.66 C ATOM 732 CG PRO A 52 3.214 15.616 -31.718 1.00 9.37 C ATOM 733 CD PRO A 52 1.958 16.402 -31.489 1.00 9.37 C ATOM 734 HA PRO A 52 4.213 18.191 -32.854 1.00 0.00 H ATOM 735 HD3 PRO A 52 1.103 15.927 -31.970 1.00 0.00 H ATOM 736 HD2 PRO A 52 1.755 16.519 -30.424 1.00 0.00 H ATOM 737 HG3 PRO A 52 3.964 15.850 -30.962 1.00 0.00 H ATOM 738 HG2 PRO A 52 3.012 14.545 -31.708 1.00 0.00 H ATOM 739 HB2 PRO A 52 3.109 15.547 -33.860 1.00 0.00 H ATOM 740 HB3 PRO A 52 4.730 15.889 -33.212 1.00 0.00 H ATOM 741 N ARG A 53 3.637 18.974 -35.048 1.00 9.51 N ATOM 742 CA ARG A 53 3.329 19.539 -36.356 1.00 10.27 C ATOM 743 C ARG A 53 4.437 19.179 -37.336 1.00 10.69 C ATOM 744 O ARG A 53 5.486 19.827 -37.380 1.00 10.85 O ATOM 745 CB ARG A 53 3.156 21.059 -36.252 1.00 10.00 C ATOM 746 CG ARG A 53 1.995 21.501 -35.355 1.00 9.68 C ATOM 747 CD ARG A 53 1.909 23.017 -35.262 1.00 9.76 C ATOM 748 NE ARG A 53 0.822 23.459 -34.384 1.00 9.45 N ATOM 749 CZ ARG A 53 0.530 24.731 -34.132 1.00 10.43 C ATOM 750 NH1 ARG A 53 1.246 25.710 -34.679 1.00 10.19 N ATOM 751 NH2 ARG A 53 -0.478 25.031 -33.323 1.00 10.47 N ATOM 752 HA ARG A 53 2.390 19.122 -36.721 1.00 0.00 H ATOM 753 HB2 ARG A 53 4.078 21.481 -35.851 1.00 0.00 H ATOM 754 HB3 ARG A 53 2.983 21.453 -37.254 1.00 0.00 H ATOM 755 HG2 ARG A 53 1.062 21.118 -35.768 1.00 0.00 H ATOM 756 HG3 ARG A 53 2.144 21.092 -34.356 1.00 0.00 H ATOM 757 HD2 ARG A 53 1.740 23.421 -36.260 1.00 0.00 H ATOM 758 HD3 ARG A 53 2.852 23.399 -34.872 1.00 0.00 H ATOM 759 HE ARG A 53 0.240 22.728 -33.927 1.00 0.00 H ATOM 760 HH12 ARG A 53 1.010 26.702 -34.476 1.00 0.00 H ATOM 761 HH11 ARG A 53 2.041 25.483 -35.309 1.00 0.00 H ATOM 762 HH22 ARG A 53 -0.708 26.026 -33.125 1.00 0.00 H ATOM 763 HH21 ARG A 53 -1.039 24.271 -32.887 1.00 0.00 H ATOM 764 H ARG A 53 4.459 19.341 -34.528 1.00 0.00 H ATOM 765 N LEU A 54 4.203 18.119 -38.103 1.00 11.22 N ATOM 766 CA LEU A 54 5.180 17.641 -39.071 1.00 11.76 C ATOM 767 C LEU A 54 5.344 18.623 -40.227 1.00 11.97 C ATOM 768 O LEU A 54 6.434 18.747 -40.781 1.00 12.43 O ATOM 769 CB LEU A 54 4.793 16.251 -39.604 1.00 11.75 C ATOM 770 CG LEU A 54 4.965 15.005 -38.716 1.00 11.68 C ATOM 771 CD1 LEU A 54 6.404 14.816 -38.249 1.00 12.99 C ATOM 772 CD2 LEU A 54 4.001 14.994 -37.517 1.00 12.88 C ATOM 773 HA LEU A 54 6.137 17.561 -38.555 1.00 0.00 H ATOM 774 HB2 LEU A 54 3.738 16.301 -39.874 1.00 0.00 H ATOM 775 HB3 LEU A 54 5.389 16.082 -40.501 1.00 0.00 H ATOM 776 HG LEU A 54 4.708 14.158 -39.352 1.00 0.00 H ATOM 777 HD21 LEU A 54 4.182 15.873 -36.899 1.00 0.00 H ATOM 778 HD22 LEU A 54 2.973 15.008 -37.879 1.00 0.00 H ATOM 779 HD23 LEU A 54 4.168 14.093 -36.927 1.00 0.00 H ATOM 780 HD11 LEU A 54 7.054 14.703 -39.116 1.00 0.00 H ATOM 781 HD12 LEU A 54 6.714 15.687 -37.671 1.00 0.00 H ATOM 782 HD13 LEU A 54 6.468 13.923 -37.627 1.00 0.00 H ATOM 783 H LEU A 54 3.297 17.617 -38.009 1.00 0.00 H ATOM 784 N ASP A 55 4.259 19.309 -40.584 1.00 12.76 N ATOM 785 CA ASP A 55 4.277 20.235 -41.727 1.00 12.97 C ATOM 786 C ASP A 55 5.082 21.519 -41.498 1.00 13.42 C ATOM 787 O ASP A 55 5.550 22.136 -42.461 1.00 14.21 O ATOM 788 CB ASP A 55 2.860 20.530 -42.248 1.00 13.09 C ATOM 789 CG ASP A 55 1.881 20.946 -41.152 1.00 12.81 C ATOM 790 OD1 ASP A 55 2.292 21.196 -39.994 1.00 12.62 O ATOM 791 OD2 ASP A 55 0.676 21.015 -41.468 1.00 14.85 O ATOM 792 HA ASP A 55 4.820 19.703 -42.508 1.00 0.00 H ATOM 793 HB2 ASP A 55 2.922 21.336 -42.979 1.00 0.00 H ATOM 794 HB3 ASP A 55 2.476 19.632 -42.731 1.00 0.00 H ATOM 795 H ASP A 55 3.380 19.187 -40.042 1.00 0.00 H ATOM 796 N THR A 56 5.245 21.910 -40.234 1.00 13.12 N ATOM 797 CA THR A 56 6.000 23.111 -39.863 1.00 13.23 C ATOM 798 C THR A 56 7.215 22.804 -38.989 1.00 13.23 C ATOM 799 O THR A 56 7.945 23.716 -38.589 1.00 13.46 O ATOM 800 CB THR A 56 5.110 24.131 -39.122 1.00 13.07 C ATOM 801 OG1 THR A 56 4.528 23.506 -37.968 1.00 12.77 O ATOM 802 CG2 THR A 56 4.003 24.643 -40.034 1.00 12.78 C ATOM 803 HA THR A 56 6.349 23.534 -40.805 1.00 0.00 H ATOM 804 HB THR A 56 5.727 24.976 -38.816 1.00 0.00 H ATOM 805 HG1 THR A 56 3.957 24.160 -37.493 1.00 0.00 H ATOM 806 HG23 THR A 56 4.446 25.117 -40.910 1.00 0.00 H ATOM 807 HG21 THR A 56 3.378 23.807 -40.349 1.00 0.00 H ATOM 808 HG22 THR A 56 3.396 25.369 -39.494 1.00 0.00 H ATOM 809 H THR A 56 4.818 21.338 -39.478 1.00 0.00 H ATOM 810 N SER A 57 7.421 21.519 -38.699 1.00 13.23 N ATOM 811 CA SER A 57 8.534 21.049 -37.865 1.00 13.32 C ATOM 812 C SER A 57 8.579 21.724 -36.489 1.00 13.18 C ATOM 813 O SER A 57 9.614 22.244 -36.059 1.00 13.58 O ATOM 814 CB SER A 57 9.884 21.161 -38.599 1.00 13.40 C ATOM 815 OG SER A 57 9.892 20.356 -39.765 1.00 15.01 O ATOM 816 HA SER A 57 8.347 19.992 -37.678 1.00 0.00 H ATOM 817 HB2 SER A 57 10.682 20.833 -37.933 1.00 0.00 H ATOM 818 HB3 SER A 57 10.052 22.200 -38.881 1.00 0.00 H ATOM 819 HG SER A 57 9.743 19.410 -39.513 1.00 0.00 H ATOM 820 H SER A 57 6.760 20.814 -39.083 1.00 0.00 H ATOM 821 N GLU A 58 7.440 21.698 -35.805 1.00 13.03 N ATOM 822 CA GLU A 58 7.320 22.210 -34.443 1.00 13.04 C ATOM 823 C GLU A 58 6.504 21.216 -33.631 1.00 12.51 C ATOM 824 O GLU A 58 5.696 20.474 -34.195 1.00 12.48 O ATOM 825 CB GLU A 58 6.610 23.569 -34.440 1.00 13.48 C ATOM 826 CG GLU A 58 7.354 24.690 -35.157 1.00 15.69 C ATOM 827 CD GLU A 58 6.780 26.068 -34.859 1.00 18.77 C ATOM 828 OE1 GLU A 58 5.542 26.239 -34.896 1.00 20.29 O ATOM 829 OE2 GLU A 58 7.570 26.993 -34.575 1.00 22.47 O ATOM 830 HA GLU A 58 8.313 22.338 -34.013 1.00 0.00 H ATOM 831 HB2 GLU A 58 5.640 23.445 -34.922 1.00 0.00 H ATOM 832 HB3 GLU A 58 6.463 23.871 -33.403 1.00 0.00 H ATOM 833 HG2 GLU A 58 8.397 24.672 -34.842 1.00 0.00 H ATOM 834 HG3 GLU A 58 7.297 24.514 -36.231 1.00 0.00 H ATOM 835 H GLU A 58 6.596 21.295 -36.260 1.00 0.00 H ATOM 836 N VAL A 59 6.723 21.191 -32.316 1.00 11.63 N ATOM 837 CA VAL A 59 5.796 20.524 -31.395 1.00 11.07 C ATOM 838 C VAL A 59 5.255 21.569 -30.428 1.00 10.35 C ATOM 839 O VAL A 59 5.996 22.110 -29.610 1.00 10.43 O ATOM 840 CB VAL A 59 6.442 19.363 -30.610 1.00 11.04 C ATOM 841 CG1 VAL A 59 5.426 18.732 -29.653 1.00 11.63 C ATOM 842 CG2 VAL A 59 7.008 18.315 -31.558 1.00 11.48 C ATOM 843 HA VAL A 59 4.997 20.078 -31.988 1.00 0.00 H ATOM 844 HB VAL A 59 7.266 19.767 -30.022 1.00 0.00 H ATOM 845 HG11 VAL A 59 5.076 19.486 -28.948 1.00 0.00 H ATOM 846 HG12 VAL A 59 4.581 18.347 -30.224 1.00 0.00 H ATOM 847 HG13 VAL A 59 5.900 17.915 -29.109 1.00 0.00 H ATOM 848 HG21 VAL A 59 6.205 17.916 -32.178 1.00 0.00 H ATOM 849 HG22 VAL A 59 7.766 18.773 -32.194 1.00 0.00 H ATOM 850 HG23 VAL A 59 7.457 17.508 -30.979 1.00 0.00 H ATOM 851 H VAL A 59 7.571 21.656 -31.934 1.00 0.00 H ATOM 852 N VAL A 60 3.961 21.846 -30.543 1.00 10.03 N ATOM 853 CA VAL A 60 3.297 22.889 -29.762 1.00 9.69 C ATOM 854 C VAL A 60 2.609 22.313 -28.522 1.00 9.41 C ATOM 855 O VAL A 60 1.976 21.265 -28.591 1.00 9.24 O ATOM 856 CB VAL A 60 2.281 23.679 -30.645 1.00 9.92 C ATOM 857 CG1 VAL A 60 1.404 24.602 -29.802 1.00 9.81 C ATOM 858 CG2 VAL A 60 3.022 24.487 -31.696 1.00 10.62 C ATOM 859 HA VAL A 60 4.065 23.582 -29.418 1.00 0.00 H ATOM 860 HB VAL A 60 1.631 22.954 -31.135 1.00 0.00 H ATOM 861 HG11 VAL A 60 0.844 24.009 -29.079 1.00 0.00 H ATOM 862 HG12 VAL A 60 2.034 25.319 -29.276 1.00 0.00 H ATOM 863 HG13 VAL A 60 0.710 25.135 -30.452 1.00 0.00 H ATOM 864 HG21 VAL A 60 3.693 25.191 -31.205 1.00 0.00 H ATOM 865 HG22 VAL A 60 3.600 23.814 -32.329 1.00 0.00 H ATOM 866 HG23 VAL A 60 2.303 25.034 -32.306 1.00 0.00 H ATOM 867 H VAL A 60 3.394 21.296 -31.219 1.00 0.00 H ATOM 868 N PHE A 61 2.778 23.002 -27.394 1.00 9.14 N ATOM 869 CA PHE A 61 2.081 22.698 -26.149 1.00 9.07 C ATOM 870 C PHE A 61 1.200 23.892 -25.797 1.00 8.91 C ATOM 871 O PHE A 61 1.661 25.035 -25.816 1.00 8.99 O ATOM 872 CB PHE A 61 3.075 22.499 -25.006 1.00 9.08 C ATOM 873 CG PHE A 61 3.963 21.296 -25.149 1.00 9.37 C ATOM 874 CD1 PHE A 61 5.053 21.309 -26.016 1.00 10.27 C ATOM 875 CD2 PHE A 61 3.732 20.163 -24.369 1.00 10.29 C ATOM 876 CE1 PHE A 61 5.885 20.196 -26.130 1.00 10.89 C ATOM 877 CE2 PHE A 61 4.557 19.051 -24.470 1.00 11.28 C ATOM 878 CZ PHE A 61 5.632 19.066 -25.357 1.00 11.10 C ATOM 879 HA PHE A 61 1.498 21.787 -26.282 1.00 0.00 H ATOM 880 HB2 PHE A 61 3.709 23.384 -24.949 1.00 0.00 H ATOM 881 HB3 PHE A 61 2.511 22.397 -24.079 1.00 0.00 H ATOM 882 HD2 PHE A 61 2.894 20.151 -23.672 1.00 0.00 H ATOM 883 HE2 PHE A 61 4.365 18.170 -23.858 1.00 0.00 H ATOM 884 HZ PHE A 61 6.276 18.191 -25.446 1.00 0.00 H ATOM 885 HE1 PHE A 61 6.729 20.210 -26.820 1.00 0.00 H ATOM 886 HD1 PHE A 61 5.258 22.199 -26.612 1.00 0.00 H ATOM 887 H PHE A 61 3.444 23.801 -27.402 1.00 0.00 H ATOM 888 N ASN A 62 -0.057 23.640 -25.459 1.00 8.76 N ATOM 889 CA ASN A 62 -0.946 24.726 -25.044 1.00 8.77 C ATOM 890 C ASN A 62 -2.089 24.227 -24.159 1.00 9.12 C ATOM 891 O ASN A 62 -2.251 23.020 -23.947 1.00 8.33 O ATOM 892 CB ASN A 62 -1.476 25.499 -26.275 1.00 8.86 C ATOM 893 CG ASN A 62 -1.773 26.968 -25.980 1.00 9.90 C ATOM 894 OD1 ASN A 62 -1.713 27.417 -24.833 1.00 10.69 O ATOM 895 ND2 ASN A 62 -2.084 27.729 -27.029 1.00 10.30 N ATOM 896 HA ASN A 62 -0.360 25.416 -24.437 1.00 0.00 H ATOM 897 HB2 ASN A 62 -0.727 25.448 -27.065 1.00 0.00 H ATOM 898 HB3 ASN A 62 -2.394 25.021 -26.616 1.00 0.00 H ATOM 899 HD22 ASN A 62 -2.124 27.312 -27.981 1.00 0.00 H ATOM 900 HD21 ASN A 62 -2.287 28.740 -26.896 1.00 0.00 H ATOM 901 H ASN A 62 -0.414 22.664 -25.489 1.00 0.00 H ATOM 902 N SER A 63 -2.853 25.180 -23.633 1.00 9.19 N ATOM 903 CA SER A 63 -4.058 24.913 -22.855 1.00 9.61 C ATOM 904 C SER A 63 -5.212 25.713 -23.435 1.00 10.18 C ATOM 905 O SER A 63 -4.999 26.677 -24.176 1.00 10.30 O ATOM 906 CB SER A 63 -3.834 25.324 -21.401 1.00 9.68 C ATOM 907 OG SER A 63 -3.444 26.691 -21.333 1.00 10.11 O ATOM 908 HA SER A 63 -4.290 23.849 -22.895 1.00 0.00 H ATOM 909 HB2 SER A 63 -3.050 24.703 -20.967 1.00 0.00 H ATOM 910 HB3 SER A 63 -4.758 25.184 -20.840 1.00 0.00 H ATOM 911 HG SER A 63 -4.156 27.256 -21.725 1.00 0.00 H ATOM 912 H SER A 63 -2.576 26.171 -23.785 1.00 0.00 H ATOM 913 N LYS A 64 -6.434 25.312 -23.106 1.00 10.53 N ATOM 914 CA LYS A 64 -7.626 26.009 -23.585 1.00 11.54 C ATOM 915 C LYS A 64 -8.638 26.115 -22.452 1.00 11.97 C ATOM 916 O LYS A 64 -8.954 25.120 -21.807 1.00 11.54 O ATOM 917 CB LYS A 64 -8.224 25.291 -24.802 1.00 11.63 C ATOM 918 CG LYS A 64 -9.380 26.051 -25.477 1.00 13.22 C ATOM 919 CD LYS A 64 -9.835 25.383 -26.777 1.00 16.50 C ATOM 920 CE LYS A 64 -10.592 24.088 -26.524 1.00 18.70 C ATOM 921 NZ LYS A 64 -11.151 23.511 -27.784 1.00 20.15 N ATOM 922 HA LYS A 64 -7.352 27.014 -23.905 1.00 0.00 H ATOM 923 HB2 LYS A 64 -7.433 25.148 -25.538 1.00 0.00 H ATOM 924 HB3 LYS A 64 -8.597 24.319 -24.477 1.00 0.00 H ATOM 925 HG2 LYS A 64 -10.224 26.089 -24.788 1.00 0.00 H ATOM 926 HG3 LYS A 64 -9.049 27.065 -25.701 1.00 0.00 H ATOM 927 HD2 LYS A 64 -10.486 26.071 -27.316 1.00 0.00 H ATOM 928 HD3 LYS A 64 -8.957 25.164 -27.385 1.00 0.00 H ATOM 929 HE2 LYS A 64 -11.412 24.288 -25.834 1.00 0.00 H ATOM 930 HE3 LYS A 64 -9.911 23.364 -26.077 1.00 0.00 H ATOM 931 HZ1 LYS A 64 -11.808 24.193 -28.215 1.00 0.00 H ATOM 932 HZ2 LYS A 64 -10.375 23.310 -28.446 1.00 0.00 H ATOM 933 HZ3 LYS A 64 -11.658 22.630 -27.565 1.00 0.00 H ATOM 934 H LYS A 64 -6.546 24.480 -22.492 1.00 0.00 H ATOM 935 N GLU A 65 -9.121 27.332 -22.204 1.00 12.82 N ATOM 936 CA GLU A 65 -10.077 27.598 -21.127 1.00 13.85 C ATOM 937 C GLU A 65 -11.187 28.497 -21.646 1.00 14.19 C ATOM 938 O GLU A 65 -10.913 29.542 -22.242 1.00 14.23 O ATOM 939 CB GLU A 65 -9.384 28.268 -19.938 1.00 14.02 C ATOM 940 CG GLU A 65 -8.276 27.437 -19.298 1.00 15.61 C ATOM 941 CD GLU A 65 -7.696 28.079 -18.048 1.00 17.10 C ATOM 942 OE1 GLU A 65 -8.423 28.180 -17.037 1.00 18.53 O ATOM 943 OE2 GLU A 65 -6.513 28.483 -18.076 1.00 17.67 O ATOM 944 HA GLU A 65 -10.497 26.650 -20.791 1.00 0.00 H ATOM 945 HB2 GLU A 65 -8.950 29.207 -20.282 1.00 0.00 H ATOM 946 HB3 GLU A 65 -10.137 28.475 -19.177 1.00 0.00 H ATOM 947 HG2 GLU A 65 -8.683 26.462 -19.031 1.00 0.00 H ATOM 948 HG3 GLU A 65 -7.475 27.307 -20.026 1.00 0.00 H ATOM 949 H GLU A 65 -8.806 28.125 -22.799 1.00 0.00 H ATOM 950 N GLN A 66 -12.436 28.086 -21.421 1.00 15.05 N ATOM 951 CA GLN A 66 -13.621 28.780 -21.958 1.00 15.83 C ATOM 952 C GLN A 66 -13.480 29.136 -23.449 1.00 15.71 C ATOM 953 O GLN A 66 -13.828 30.243 -23.873 1.00 15.86 O ATOM 954 CB GLN A 66 -13.962 30.035 -21.139 1.00 16.29 C ATOM 955 CG GLN A 66 -14.254 29.800 -19.657 1.00 18.60 C ATOM 956 CD GLN A 66 -13.002 29.799 -18.799 1.00 21.20 C ATOM 957 OE1 GLN A 66 -12.090 30.601 -19.007 1.00 23.58 O ATOM 958 NE2 GLN A 66 -12.957 28.901 -17.821 1.00 23.02 N ATOM 959 HA GLN A 66 -14.446 28.073 -21.870 1.00 0.00 H ATOM 960 HB2 GLN A 66 -13.118 30.721 -21.210 1.00 0.00 H ATOM 961 HB3 GLN A 66 -14.843 30.497 -21.585 1.00 0.00 H ATOM 962 HG2 GLN A 66 -14.917 30.590 -19.304 1.00 0.00 H ATOM 963 HG3 GLN A 66 -14.750 28.836 -19.549 1.00 0.00 H ATOM 964 HE22 GLN A 66 -13.750 28.243 -17.682 1.00 0.00 H ATOM 965 HE21 GLN A 66 -12.128 28.856 -17.194 1.00 0.00 H ATOM 966 H GLN A 66 -12.581 27.236 -20.839 1.00 0.00 H ATOM 967 N GLY A 67 -12.955 28.199 -24.235 1.00 15.03 N ATOM 968 CA GLY A 67 -12.781 28.395 -25.676 1.00 14.75 C ATOM 969 C GLY A 67 -11.599 29.248 -26.116 1.00 14.39 C ATOM 970 O GLY A 67 -11.383 29.427 -27.319 1.00 14.57 O ATOM 971 HA3 GLY A 67 -13.687 28.866 -26.057 1.00 0.00 H ATOM 972 HA2 GLY A 67 -12.665 27.411 -26.131 1.00 0.00 H ATOM 973 H GLY A 67 -12.658 27.297 -23.811 1.00 0.00 H ATOM 974 N SER A 68 -10.851 29.784 -25.152 1.00 14.01 N ATOM 975 CA SER A 68 -9.683 30.621 -25.432 1.00 13.58 C ATOM 976 C SER A 68 -8.389 29.849 -25.238 1.00 13.32 C ATOM 977 O SER A 68 -8.212 29.164 -24.227 1.00 13.35 O ATOM 978 CB SER A 68 -9.668 31.859 -24.531 1.00 13.68 C ATOM 979 OG SER A 68 -10.692 32.769 -24.885 1.00 13.42 O ATOM 980 HA SER A 68 -9.756 30.933 -26.474 1.00 0.00 H ATOM 981 HB2 SER A 68 -8.703 32.356 -24.627 1.00 0.00 H ATOM 982 HB3 SER A 68 -9.813 31.547 -23.497 1.00 0.00 H ATOM 983 HG SER A 68 -10.563 33.061 -25.822 1.00 0.00 H ATOM 984 H SER A 68 -11.107 29.600 -24.161 1.00 0.00 H ATOM 985 N TRP A 69 -7.488 29.966 -26.209 1.00 12.91 N ATOM 986 CA TRP A 69 -6.165 29.347 -26.118 1.00 12.45 C ATOM 987 C TRP A 69 -5.225 30.172 -25.252 1.00 11.91 C ATOM 988 O TRP A 69 -5.288 31.405 -25.241 1.00 12.07 O ATOM 989 CB TRP A 69 -5.547 29.163 -27.504 1.00 12.21 C ATOM 990 CG TRP A 69 -6.229 28.128 -28.317 1.00 12.67 C ATOM 991 CD1 TRP A 69 -7.151 28.333 -29.298 1.00 12.90 C ATOM 992 CD2 TRP A 69 -6.055 26.711 -28.217 1.00 12.93 C ATOM 993 NE1 TRP A 69 -7.559 27.131 -29.826 1.00 14.11 N ATOM 994 CE2 TRP A 69 -6.902 26.118 -29.180 1.00 13.52 C ATOM 995 CE3 TRP A 69 -5.259 25.884 -27.413 1.00 13.01 C ATOM 996 CZ2 TRP A 69 -6.983 24.733 -29.358 1.00 13.78 C ATOM 997 CZ3 TRP A 69 -5.339 24.508 -27.589 1.00 13.60 C ATOM 998 CH2 TRP A 69 -6.194 23.947 -28.556 1.00 13.69 C ATOM 999 HA TRP A 69 -6.302 28.369 -25.656 1.00 0.00 H ATOM 1000 HB2 TRP A 69 -5.601 30.113 -28.036 1.00 0.00 H ATOM 1001 HB3 TRP A 69 -4.503 28.875 -27.382 1.00 0.00 H ATOM 1002 HE1 TRP A 69 -8.253 27.011 -30.591 1.00 0.00 H ATOM 1003 HD1 TRP A 69 -7.513 29.310 -29.619 1.00 0.00 H ATOM 1004 HZ2 TRP A 69 -7.646 24.295 -30.104 1.00 0.00 H ATOM 1005 HH2 TRP A 69 -6.230 22.864 -28.671 1.00 0.00 H ATOM 1006 HZ3 TRP A 69 -4.729 23.852 -26.968 1.00 0.00 H ATOM 1007 HE3 TRP A 69 -4.591 26.311 -26.665 1.00 0.00 H ATOM 1008 H TRP A 69 -7.731 30.514 -27.059 1.00 0.00 H ATOM 1009 N GLY A 70 -4.353 29.481 -24.523 1.00 11.36 N ATOM 1010 CA GLY A 70 -3.297 30.142 -23.768 1.00 11.02 C ATOM 1011 C GLY A 70 -2.108 30.462 -24.655 1.00 11.24 C ATOM 1012 O GLY A 70 -2.200 30.397 -25.893 1.00 10.74 O ATOM 1013 HA3 GLY A 70 -2.972 29.486 -22.960 1.00 0.00 H ATOM 1014 HA2 GLY A 70 -3.687 31.069 -23.347 1.00 0.00 H ATOM 1015 H GLY A 70 -4.427 28.444 -24.491 1.00 0.00 H ATOM 1016 N ARG A 71 -0.990 30.817 -24.029 1.00 11.25 N ATOM 1017 CA ARG A 71 0.248 31.054 -24.765 1.00 11.54 C ATOM 1018 C ARG A 71 0.927 29.724 -25.080 1.00 11.39 C ATOM 1019 O ARG A 71 1.132 28.900 -24.187 1.00 11.08 O ATOM 1020 CB ARG A 71 1.193 31.968 -23.977 1.00 11.87 C ATOM 1021 CG ARG A 71 2.510 32.254 -24.684 1.00 13.37 C ATOM 1022 CD ARG A 71 3.285 33.383 -24.012 1.00 16.36 C ATOM 1023 NE ARG A 71 2.725 34.693 -24.338 1.00 18.57 N ATOM 1024 CZ ARG A 71 3.048 35.404 -25.417 1.00 19.67 C ATOM 1025 NH1 ARG A 71 3.932 34.940 -26.294 1.00 19.77 N ATOM 1026 NH2 ARG A 71 2.475 36.582 -25.622 1.00 20.99 N ATOM 1027 HA ARG A 71 0.002 31.558 -25.700 1.00 0.00 H ATOM 1028 HB2 ARG A 71 0.685 32.916 -23.801 1.00 0.00 H ATOM 1029 HB3 ARG A 71 1.413 31.492 -23.021 1.00 0.00 H ATOM 1030 HG2 ARG A 71 3.120 31.351 -24.671 1.00 0.00 H ATOM 1031 HG3 ARG A 71 2.302 32.535 -25.716 1.00 0.00 H ATOM 1032 HD2 ARG A 71 4.322 33.348 -24.347 1.00 0.00 H ATOM 1033 HD3 ARG A 71 3.249 33.242 -22.932 1.00 0.00 H ATOM 1034 HE ARG A 71 2.026 35.098 -23.683 1.00 0.00 H ATOM 1035 HH12 ARG A 71 4.177 35.503 -27.133 1.00 0.00 H ATOM 1036 HH11 ARG A 71 4.379 34.013 -26.141 1.00 0.00 H ATOM 1037 HH22 ARG A 71 2.723 37.142 -26.463 1.00 0.00 H ATOM 1038 HH21 ARG A 71 1.777 36.946 -24.942 1.00 0.00 H ATOM 1039 H ARG A 71 -0.998 30.928 -22.995 1.00 0.00 H ATOM 1040 N GLU A 72 1.273 29.522 -26.351 1.00 11.16 N ATOM 1041 CA GLU A 72 1.938 28.293 -26.777 1.00 11.19 C ATOM 1042 C GLU A 72 3.332 28.175 -26.181 1.00 11.16 C ATOM 1043 O GLU A 72 4.048 29.168 -26.055 1.00 11.49 O ATOM 1044 CB GLU A 72 2.049 28.234 -28.301 1.00 11.03 C ATOM 1045 CG GLU A 72 0.714 28.174 -29.013 1.00 11.72 C ATOM 1046 CD GLU A 72 0.859 28.146 -30.520 1.00 12.76 C ATOM 1047 OE1 GLU A 72 1.947 28.498 -31.018 1.00 14.31 O ATOM 1048 OE2 GLU A 72 -0.119 27.771 -31.201 1.00 12.81 O ATOM 1049 HA GLU A 72 1.327 27.464 -26.419 1.00 0.00 H ATOM 1050 HB2 GLU A 72 2.580 29.123 -28.641 1.00 0.00 H ATOM 1051 HB3 GLU A 72 2.621 27.346 -28.569 1.00 0.00 H ATOM 1052 HG2 GLU A 72 0.189 27.273 -28.696 1.00 0.00 H ATOM 1053 HG3 GLU A 72 0.130 29.051 -28.734 1.00 0.00 H ATOM 1054 H GLU A 72 1.065 30.257 -27.057 1.00 0.00 H ATOM 1055 N GLU A 73 3.687 26.955 -25.786 1.00 11.34 N ATOM 1056 CA GLU A 73 5.076 26.578 -25.531 1.00 11.47 C ATOM 1057 C GLU A 73 5.514 25.667 -26.666 1.00 11.89 C ATOM 1058 O GLU A 73 4.695 24.939 -27.228 1.00 12.34 O ATOM 1059 CB GLU A 73 5.210 25.833 -24.202 1.00 11.45 C ATOM 1060 CG GLU A 73 4.915 26.692 -22.990 1.00 11.43 C ATOM 1061 CD GLU A 73 4.939 25.925 -21.674 1.00 12.49 C ATOM 1062 OE1 GLU A 73 5.600 24.865 -21.577 1.00 13.05 O ATOM 1063 OE2 GLU A 73 4.300 26.410 -20.723 1.00 13.36 O ATOM 1064 HA GLU A 73 5.696 27.473 -25.475 1.00 0.00 H ATOM 1065 HB2 GLU A 73 4.515 24.993 -24.206 1.00 0.00 H ATOM 1066 HB3 GLU A 73 6.230 25.458 -24.119 1.00 0.00 H ATOM 1067 HG2 GLU A 73 5.661 27.485 -22.940 1.00 0.00 H ATOM 1068 HG3 GLU A 73 3.926 27.133 -23.113 1.00 0.00 H ATOM 1069 H GLU A 73 2.944 26.239 -25.653 1.00 0.00 H ATOM 1070 N ARG A 74 6.797 25.711 -27.011 1.00 12.08 N ATOM 1071 CA ARG A 74 7.325 24.861 -28.076 1.00 12.60 C ATOM 1072 C ARG A 74 8.474 24.006 -27.570 1.00 12.75 C ATOM 1073 O ARG A 74 9.349 24.494 -26.857 1.00 13.12 O ATOM 1074 CB ARG A 74 7.761 25.700 -29.277 1.00 12.87 C ATOM 1075 CG ARG A 74 6.592 26.178 -30.129 1.00 13.70 C ATOM 1076 CD ARG A 74 7.022 27.268 -31.089 1.00 16.77 C ATOM 1077 NE ARG A 74 6.051 27.450 -32.161 1.00 19.43 N ATOM 1078 CZ ARG A 74 4.866 28.032 -32.021 1.00 19.26 C ATOM 1079 NH1 ARG A 74 4.485 28.509 -30.841 1.00 19.87 N ATOM 1080 NH2 ARG A 74 4.060 28.144 -33.073 1.00 19.32 N ATOM 1081 HA ARG A 74 6.526 24.194 -28.400 1.00 0.00 H ATOM 1082 HB2 ARG A 74 8.304 26.572 -28.912 1.00 0.00 H ATOM 1083 HB3 ARG A 74 8.421 25.097 -29.900 1.00 0.00 H ATOM 1084 HG2 ARG A 74 6.200 25.336 -30.699 1.00 0.00 H ATOM 1085 HG3 ARG A 74 5.811 26.567 -29.475 1.00 0.00 H ATOM 1086 HD2 ARG A 74 7.984 26.998 -31.524 1.00 0.00 H ATOM 1087 HD3 ARG A 74 7.123 28.204 -30.540 1.00 0.00 H ATOM 1088 HE ARG A 74 6.306 27.098 -33.106 1.00 0.00 H ATOM 1089 HH12 ARG A 74 3.555 28.964 -30.740 1.00 0.00 H ATOM 1090 HH11 ARG A 74 5.117 28.428 -30.019 1.00 0.00 H ATOM 1091 HH22 ARG A 74 3.130 28.599 -32.970 1.00 0.00 H ATOM 1092 HH21 ARG A 74 4.359 27.777 -33.999 1.00 0.00 H ATOM 1093 H ARG A 74 7.437 26.363 -26.514 1.00 0.00 H ATOM 1094 N GLY A 75 8.449 22.728 -27.929 1.00 12.90 N ATOM 1095 CA GLY A 75 9.494 21.790 -27.531 1.00 13.27 C ATOM 1096 C GLY A 75 10.758 21.952 -28.355 1.00 13.57 C ATOM 1097 O GLY A 75 10.733 22.595 -29.411 1.00 13.05 O ATOM 1098 HA3 GLY A 75 9.120 20.774 -27.658 1.00 0.00 H ATOM 1099 HA2 GLY A 75 9.735 21.958 -26.482 1.00 0.00 H ATOM 1100 H GLY A 75 7.660 22.384 -28.512 1.00 0.00 H ATOM 1101 N PRO A 76 11.877 21.375 -27.872 1.00 14.09 N ATOM 1102 CA PRO A 76 13.177 21.475 -28.530 1.00 14.41 C ATOM 1103 C PRO A 76 13.334 20.449 -29.655 1.00 14.44 C ATOM 1104 O PRO A 76 13.718 19.301 -29.411 1.00 14.57 O ATOM 1105 CB PRO A 76 14.165 21.214 -27.387 1.00 14.70 C ATOM 1106 CG PRO A 76 13.425 20.366 -26.420 1.00 14.59 C ATOM 1107 CD PRO A 76 11.960 20.667 -26.581 1.00 14.21 C ATOM 1108 HA PRO A 76 13.329 22.438 -29.018 1.00 0.00 H ATOM 1109 HD3 PRO A 76 11.376 19.747 -26.606 1.00 0.00 H ATOM 1110 HD2 PRO A 76 11.603 21.300 -25.769 1.00 0.00 H ATOM 1111 HG3 PRO A 76 13.743 20.597 -25.403 1.00 0.00 H ATOM 1112 HG2 PRO A 76 13.614 19.313 -26.628 1.00 0.00 H ATOM 1113 HB2 PRO A 76 15.048 20.692 -27.756 1.00 0.00 H ATOM 1114 HB3 PRO A 76 14.467 22.152 -26.921 1.00 0.00 H ATOM 1115 N GLY A 77 13.031 20.874 -30.879 1.00 14.36 N ATOM 1116 CA GLY A 77 13.098 19.984 -32.043 1.00 14.22 C ATOM 1117 C GLY A 77 11.834 19.156 -32.199 1.00 14.00 C ATOM 1118 O GLY A 77 10.883 19.320 -31.435 1.00 13.96 O ATOM 1119 HA3 GLY A 77 13.947 19.311 -31.924 1.00 0.00 H ATOM 1120 HA2 GLY A 77 13.237 20.587 -32.940 1.00 0.00 H ATOM 1121 H GLY A 77 12.739 21.863 -31.014 1.00 0.00 H ATOM 1122 N VAL A 78 11.821 18.280 -33.203 1.00 13.64 N ATOM 1123 CA VAL A 78 10.655 17.431 -33.488 1.00 13.51 C ATOM 1124 C VAL A 78 11.059 15.959 -33.474 1.00 13.03 C ATOM 1125 O VAL A 78 11.595 15.454 -34.468 1.00 13.23 O ATOM 1126 CB VAL A 78 9.998 17.773 -34.844 1.00 13.63 C ATOM 1127 CG1 VAL A 78 8.700 16.997 -35.036 1.00 13.91 C ATOM 1128 CG2 VAL A 78 9.741 19.248 -34.938 1.00 14.17 C ATOM 1129 HA VAL A 78 9.921 17.623 -32.705 1.00 0.00 H ATOM 1130 HB VAL A 78 10.686 17.482 -35.638 1.00 0.00 H ATOM 1131 HG11 VAL A 78 8.910 15.928 -35.009 1.00 0.00 H ATOM 1132 HG12 VAL A 78 8.004 17.252 -34.237 1.00 0.00 H ATOM 1133 HG13 VAL A 78 8.261 17.259 -35.999 1.00 0.00 H ATOM 1134 HG21 VAL A 78 9.074 19.551 -34.131 1.00 0.00 H ATOM 1135 HG22 VAL A 78 10.685 19.786 -34.852 1.00 0.00 H ATOM 1136 HG23 VAL A 78 9.278 19.474 -35.898 1.00 0.00 H ATOM 1137 H VAL A 78 12.664 18.194 -33.805 1.00 0.00 H ATOM 1138 N PRO A 79 10.806 15.266 -32.345 1.00 12.73 N ATOM 1139 CA PRO A 79 11.200 13.868 -32.216 1.00 12.61 C ATOM 1140 C PRO A 79 10.155 12.934 -32.832 1.00 12.51 C ATOM 1141 O PRO A 79 9.766 11.943 -32.211 1.00 12.60 O ATOM 1142 CB PRO A 79 11.295 13.680 -30.700 1.00 12.54 C ATOM 1143 CG PRO A 79 10.248 14.593 -30.159 1.00 12.34 C ATOM 1144 CD PRO A 79 10.227 15.789 -31.090 1.00 12.65 C ATOM 1145 HA PRO A 79 12.128 13.633 -32.737 1.00 0.00 H ATOM 1146 HD3 PRO A 79 9.208 16.141 -31.249 1.00 0.00 H ATOM 1147 HD2 PRO A 79 10.833 16.603 -30.692 1.00 0.00 H ATOM 1148 HG3 PRO A 79 10.501 14.904 -29.145 1.00 0.00 H ATOM 1149 HG2 PRO A 79 9.277 14.098 -30.154 1.00 0.00 H ATOM 1150 HB2 PRO A 79 11.089 12.646 -30.423 1.00 0.00 H ATOM 1151 HB3 PRO A 79 12.282 13.962 -30.335 1.00 0.00 H ATOM 1152 N PHE A 80 9.698 13.286 -34.033 1.00 12.38 N ATOM 1153 CA PHE A 80 8.754 12.480 -34.811 1.00 12.75 C ATOM 1154 C PHE A 80 9.146 12.528 -36.283 1.00 13.34 C ATOM 1155 O PHE A 80 9.651 13.545 -36.768 1.00 13.82 O ATOM 1156 CB PHE A 80 7.324 13.003 -34.664 1.00 12.70 C ATOM 1157 CG PHE A 80 6.812 13.001 -33.252 1.00 11.30 C ATOM 1158 CD1 PHE A 80 6.155 11.888 -32.739 1.00 10.97 C ATOM 1159 CD2 PHE A 80 6.974 14.122 -32.439 1.00 11.49 C ATOM 1160 CE1 PHE A 80 5.677 11.878 -31.434 1.00 10.62 C ATOM 1161 CE2 PHE A 80 6.504 14.122 -31.131 1.00 12.13 C ATOM 1162 CZ PHE A 80 5.851 13.001 -30.626 1.00 10.63 C ATOM 1163 HA PHE A 80 8.791 11.457 -34.436 1.00 0.00 H ATOM 1164 HB2 PHE A 80 7.293 14.026 -35.038 1.00 0.00 H ATOM 1165 HB3 PHE A 80 6.667 12.377 -35.268 1.00 0.00 H ATOM 1166 HD2 PHE A 80 7.474 15.007 -32.833 1.00 0.00 H ATOM 1167 HE2 PHE A 80 6.647 15.000 -30.501 1.00 0.00 H ATOM 1168 HZ PHE A 80 5.477 13.001 -29.602 1.00 0.00 H ATOM 1169 HE1 PHE A 80 5.168 10.996 -31.044 1.00 0.00 H ATOM 1170 HD1 PHE A 80 6.013 11.010 -33.370 1.00 0.00 H ATOM 1171 H PHE A 80 10.030 14.183 -34.441 1.00 0.00 H ATOM 1172 N GLN A 81 8.906 11.428 -36.990 1.00 13.51 N ATOM 1173 CA GLN A 81 9.190 11.358 -38.423 1.00 14.09 C ATOM 1174 C GLN A 81 8.056 10.683 -39.176 1.00 13.60 C ATOM 1175 O GLN A 81 7.531 9.652 -38.739 1.00 13.47 O ATOM 1176 CB GLN A 81 10.499 10.608 -38.704 1.00 14.38 C ATOM 1177 CG GLN A 81 11.732 11.110 -37.955 1.00 17.24 C ATOM 1178 CD GLN A 81 11.890 10.470 -36.580 1.00 20.77 C ATOM 1179 OE1 GLN A 81 11.575 9.290 -36.384 1.00 23.02 O ATOM 1180 NE2 GLN A 81 12.379 11.249 -35.619 1.00 21.74 N ATOM 1181 HA GLN A 81 9.292 12.385 -38.773 1.00 0.00 H ATOM 1182 HB2 GLN A 81 10.349 9.562 -38.436 1.00 0.00 H ATOM 1183 HB3 GLN A 81 10.704 10.683 -39.772 1.00 0.00 H ATOM 1184 HG2 GLN A 81 12.617 10.883 -38.549 1.00 0.00 H ATOM 1185 HG3 GLN A 81 11.648 12.189 -37.829 1.00 0.00 H ATOM 1186 HE22 GLN A 81 12.631 12.236 -35.828 1.00 0.00 H ATOM 1187 HE21 GLN A 81 12.509 10.871 -34.659 1.00 0.00 H ATOM 1188 H GLN A 81 8.506 10.596 -36.512 1.00 0.00 H ATOM 1189 N ARG A 82 7.685 11.271 -40.310 1.00 13.21 N ATOM 1190 CA ARG A 82 6.743 10.654 -41.232 1.00 12.72 C ATOM 1191 C ARG A 82 7.263 9.280 -41.624 1.00 12.51 C ATOM 1192 O ARG A 82 8.438 9.132 -41.978 1.00 12.56 O ATOM 1193 CB ARG A 82 6.559 11.531 -42.473 1.00 13.03 C ATOM 1194 CG ARG A 82 5.764 12.810 -42.230 1.00 13.00 C ATOM 1195 CD ARG A 82 6.037 13.822 -43.329 1.00 14.51 C ATOM 1196 NE ARG A 82 5.152 14.980 -43.234 1.00 15.06 N ATOM 1197 CZ ARG A 82 5.402 16.168 -43.784 1.00 16.31 C ATOM 1198 NH1 ARG A 82 6.515 16.373 -44.478 1.00 17.37 N ATOM 1199 NH2 ARG A 82 4.533 17.159 -43.637 1.00 16.21 N ATOM 1200 HA ARG A 82 5.773 10.550 -40.746 1.00 0.00 H ATOM 1201 HB2 ARG A 82 7.546 11.808 -42.844 1.00 0.00 H ATOM 1202 HB3 ARG A 82 6.039 10.945 -43.231 1.00 0.00 H ATOM 1203 HG2 ARG A 82 4.700 12.574 -42.215 1.00 0.00 H ATOM 1204 HG3 ARG A 82 6.054 13.236 -41.269 1.00 0.00 H ATOM 1205 HD2 ARG A 82 5.887 13.342 -44.296 1.00 0.00 H ATOM 1206 HD3 ARG A 82 7.070 14.160 -43.249 1.00 0.00 H ATOM 1207 HE ARG A 82 4.266 14.870 -42.701 1.00 0.00 H ATOM 1208 HH12 ARG A 82 6.699 17.304 -44.902 1.00 0.00 H ATOM 1209 HH11 ARG A 82 7.203 15.602 -44.597 1.00 0.00 H ATOM 1210 HH22 ARG A 82 4.725 18.087 -44.065 1.00 0.00 H ATOM 1211 HH21 ARG A 82 3.659 17.008 -43.094 1.00 0.00 H ATOM 1212 H ARG A 82 8.081 12.203 -40.546 1.00 0.00 H ATOM 1213 N GLY A 83 6.394 8.279 -41.513 1.00 12.39 N ATOM 1214 CA GLY A 83 6.741 6.891 -41.822 1.00 12.08 C ATOM 1215 C GLY A 83 7.335 6.099 -40.664 1.00 12.19 C ATOM 1216 O GLY A 83 7.699 4.935 -40.836 1.00 12.17 O ATOM 1217 HA3 GLY A 83 7.467 6.897 -42.635 1.00 0.00 H ATOM 1218 HA2 GLY A 83 5.835 6.381 -42.150 1.00 0.00 H ATOM 1219 H GLY A 83 5.427 8.492 -41.193 1.00 0.00 H ATOM 1220 N GLN A 84 7.430 6.714 -39.482 1.00 11.67 N ATOM 1221 CA GLN A 84 8.021 6.048 -38.315 1.00 11.89 C ATOM 1222 C GLN A 84 7.052 5.916 -37.149 1.00 11.71 C ATOM 1223 O GLN A 84 6.281 6.837 -36.886 1.00 11.47 O ATOM 1224 CB GLN A 84 9.279 6.784 -37.838 1.00 11.98 C ATOM 1225 CG GLN A 84 10.453 6.724 -38.810 1.00 13.13 C ATOM 1226 CD GLN A 84 10.868 5.301 -39.169 1.00 13.60 C ATOM 1227 OE1 GLN A 84 10.984 4.432 -38.302 1.00 14.88 O ATOM 1228 NE2 GLN A 84 11.108 5.065 -40.452 1.00 15.14 N ATOM 1229 HA GLN A 84 8.281 5.044 -38.650 1.00 0.00 H ATOM 1230 HB2 GLN A 84 9.022 7.831 -37.679 1.00 0.00 H ATOM 1231 HB3 GLN A 84 9.595 6.341 -36.894 1.00 0.00 H ATOM 1232 HG2 GLN A 84 10.171 7.244 -39.726 1.00 0.00 H ATOM 1233 HG3 GLN A 84 11.305 7.229 -38.355 1.00 0.00 H ATOM 1234 HE22 GLN A 84 10.998 5.828 -41.151 1.00 0.00 H ATOM 1235 HE21 GLN A 84 11.407 4.117 -40.759 1.00 0.00 H ATOM 1236 H GLN A 84 7.077 7.688 -39.386 1.00 0.00 H ATOM 1237 N PRO A 85 7.101 4.771 -36.437 1.00 11.88 N ATOM 1238 CA PRO A 85 6.311 4.611 -35.213 1.00 11.98 C ATOM 1239 C PRO A 85 6.894 5.447 -34.078 1.00 11.78 C ATOM 1240 O PRO A 85 8.082 5.777 -34.107 1.00 11.90 O ATOM 1241 CB PRO A 85 6.461 3.121 -34.876 1.00 11.96 C ATOM 1242 CG PRO A 85 7.165 2.489 -36.035 1.00 12.55 C ATOM 1243 CD PRO A 85 7.904 3.572 -36.735 1.00 12.05 C ATOM 1244 HA PRO A 85 5.277 4.929 -35.343 1.00 0.00 H ATOM 1245 HD3 PRO A 85 8.916 3.672 -36.344 1.00 0.00 H ATOM 1246 HD2 PRO A 85 7.947 3.386 -37.808 1.00 0.00 H ATOM 1247 HG3 PRO A 85 6.441 2.032 -36.710 1.00 0.00 H ATOM 1248 HG2 PRO A 85 7.861 1.728 -35.682 1.00 0.00 H ATOM 1249 HB2 PRO A 85 7.049 2.998 -33.966 1.00 0.00 H ATOM 1250 HB3 PRO A 85 5.480 2.666 -34.738 1.00 0.00 H ATOM 1251 N PHE A 86 6.066 5.770 -33.088 1.00 11.46 N ATOM 1252 CA PHE A 86 6.515 6.518 -31.915 1.00 11.37 C ATOM 1253 C PHE A 86 5.923 5.941 -30.634 1.00 11.38 C ATOM 1254 O PHE A 86 4.890 5.256 -30.660 1.00 11.17 O ATOM 1255 CB PHE A 86 6.133 8.000 -32.031 1.00 11.33 C ATOM 1256 CG PHE A 86 4.649 8.247 -32.039 1.00 10.82 C ATOM 1257 CD1 PHE A 86 3.941 8.375 -30.843 1.00 11.78 C ATOM 1258 CD2 PHE A 86 3.953 8.332 -33.241 1.00 11.31 C ATOM 1259 CE1 PHE A 86 2.567 8.592 -30.848 1.00 11.54 C ATOM 1260 CE2 PHE A 86 2.581 8.549 -33.258 1.00 11.48 C ATOM 1261 CZ PHE A 86 1.884 8.677 -32.060 1.00 12.64 C ATOM 1262 HA PHE A 86 7.601 6.431 -31.872 1.00 0.00 H ATOM 1263 HB2 PHE A 86 6.566 8.534 -31.185 1.00 0.00 H ATOM 1264 HB3 PHE A 86 6.552 8.391 -32.958 1.00 0.00 H ATOM 1265 HD2 PHE A 86 4.492 8.227 -34.183 1.00 0.00 H ATOM 1266 HE2 PHE A 86 2.051 8.619 -34.208 1.00 0.00 H ATOM 1267 HZ PHE A 86 0.807 8.843 -32.070 1.00 0.00 H ATOM 1268 HE1 PHE A 86 2.026 8.695 -29.907 1.00 0.00 H ATOM 1269 HD1 PHE A 86 4.471 8.304 -29.893 1.00 0.00 H ATOM 1270 H PHE A 86 5.069 5.482 -33.151 1.00 0.00 H ATOM 1271 N GLU A 87 6.579 6.247 -29.519 1.00 11.59 N ATOM 1272 CA GLU A 87 6.035 5.991 -28.192 1.00 12.11 C ATOM 1273 C GLU A 87 6.223 7.242 -27.341 1.00 11.89 C ATOM 1274 O GLU A 87 7.352 7.695 -27.129 1.00 12.32 O ATOM 1275 CB GLU A 87 6.710 4.779 -27.543 1.00 12.30 C ATOM 1276 CG GLU A 87 6.131 4.405 -26.187 1.00 15.31 C ATOM 1277 CD GLU A 87 6.838 3.228 -25.558 1.00 18.93 C ATOM 1278 OE1 GLU A 87 7.974 3.395 -25.064 1.00 21.94 O ATOM 1279 OE2 GLU A 87 6.259 2.129 -25.555 1.00 21.53 O ATOM 1280 HA GLU A 87 4.973 5.759 -28.272 1.00 0.00 H ATOM 1281 HB2 GLU A 87 6.599 3.925 -28.211 1.00 0.00 H ATOM 1282 HB3 GLU A 87 7.769 5.003 -27.415 1.00 0.00 H ATOM 1283 HG2 GLU A 87 6.220 5.263 -25.521 1.00 0.00 H ATOM 1284 HG3 GLU A 87 5.078 4.153 -26.314 1.00 0.00 H ATOM 1285 H GLU A 87 7.518 6.687 -29.597 1.00 0.00 H ATOM 1286 N VAL A 88 5.110 7.797 -26.870 1.00 11.50 N ATOM 1287 CA VAL A 88 5.132 8.985 -26.016 1.00 11.21 C ATOM 1288 C VAL A 88 4.640 8.617 -24.615 1.00 10.97 C ATOM 1289 O VAL A 88 3.660 7.884 -24.471 1.00 10.77 O ATOM 1290 CB VAL A 88 4.260 10.132 -26.604 1.00 11.30 C ATOM 1291 CG1 VAL A 88 4.158 11.316 -25.637 1.00 11.59 C ATOM 1292 CG2 VAL A 88 4.801 10.599 -27.950 1.00 11.73 C ATOM 1293 HA VAL A 88 6.159 9.346 -25.964 1.00 0.00 H ATOM 1294 HB VAL A 88 3.258 9.728 -26.752 1.00 0.00 H ATOM 1295 HG11 VAL A 88 3.705 10.983 -24.703 1.00 0.00 H ATOM 1296 HG12 VAL A 88 5.155 11.708 -25.439 1.00 0.00 H ATOM 1297 HG13 VAL A 88 3.541 12.096 -26.083 1.00 0.00 H ATOM 1298 HG21 VAL A 88 5.820 10.965 -27.823 1.00 0.00 H ATOM 1299 HG22 VAL A 88 4.798 9.764 -28.651 1.00 0.00 H ATOM 1300 HG23 VAL A 88 4.171 11.401 -28.335 1.00 0.00 H ATOM 1301 H VAL A 88 4.193 7.372 -27.117 1.00 0.00 H ATOM 1302 N LEU A 89 5.338 9.113 -23.594 1.00 10.64 N ATOM 1303 CA LEU A 89 4.832 9.085 -22.226 1.00 10.24 C ATOM 1304 C LEU A 89 4.437 10.505 -21.841 1.00 10.19 C ATOM 1305 O LEU A 89 5.221 11.438 -22.007 1.00 10.14 O ATOM 1306 CB LEU A 89 5.884 8.555 -21.235 1.00 10.55 C ATOM 1307 CG LEU A 89 6.599 7.231 -21.533 1.00 10.87 C ATOM 1308 CD1 LEU A 89 7.623 6.906 -20.456 1.00 12.99 C ATOM 1309 CD2 LEU A 89 5.605 6.103 -21.675 1.00 11.83 C ATOM 1310 HA LEU A 89 3.976 8.411 -22.180 1.00 0.00 H ATOM 1311 HB2 LEU A 89 6.655 9.321 -21.150 1.00 0.00 H ATOM 1312 HB3 LEU A 89 5.384 8.437 -20.274 1.00 0.00 H ATOM 1313 HG LEU A 89 7.127 7.345 -22.480 1.00 0.00 H ATOM 1314 HD21 LEU A 89 5.042 5.997 -20.748 1.00 0.00 H ATOM 1315 HD22 LEU A 89 4.920 6.325 -22.494 1.00 0.00 H ATOM 1316 HD23 LEU A 89 6.137 5.176 -21.886 1.00 0.00 H ATOM 1317 HD11 LEU A 89 8.367 7.702 -20.411 1.00 0.00 H ATOM 1318 HD12 LEU A 89 7.121 6.822 -19.492 1.00 0.00 H ATOM 1319 HD13 LEU A 89 8.113 5.962 -20.695 1.00 0.00 H ATOM 1320 H LEU A 89 6.272 9.533 -23.778 1.00 0.00 H ATOM 1321 N ILE A 90 3.209 10.672 -21.367 1.00 9.88 N ATOM 1322 CA ILE A 90 2.828 11.901 -20.679 1.00 9.58 C ATOM 1323 C ILE A 90 2.669 11.511 -19.218 1.00 9.46 C ATOM 1324 O ILE A 90 1.756 10.762 -18.859 1.00 9.24 O ATOM 1325 CB ILE A 90 1.537 12.537 -21.248 1.00 10.12 C ATOM 1326 CG1 ILE A 90 1.750 12.936 -22.714 1.00 10.55 C ATOM 1327 CG2 ILE A 90 1.112 13.748 -20.406 1.00 9.90 C ATOM 1328 CD1 ILE A 90 0.484 13.375 -23.442 1.00 14.30 C ATOM 1329 HA ILE A 90 3.587 12.671 -20.815 1.00 0.00 H ATOM 1330 HB ILE A 90 0.734 11.801 -21.203 1.00 0.00 H ATOM 1331 HG12 ILE A 90 2.462 13.761 -22.742 1.00 0.00 H ATOM 1332 HG13 ILE A 90 2.167 12.079 -23.243 1.00 0.00 H ATOM 1333 HD11 ILE A 90 -0.238 12.558 -23.437 1.00 0.00 H ATOM 1334 HD12 ILE A 90 0.058 14.241 -22.936 1.00 0.00 H ATOM 1335 HD13 ILE A 90 0.731 13.638 -24.471 1.00 0.00 H ATOM 1336 HG21 ILE A 90 0.926 13.429 -19.381 1.00 0.00 H ATOM 1337 HG22 ILE A 90 1.907 14.494 -20.417 1.00 0.00 H ATOM 1338 HG23 ILE A 90 0.202 14.179 -20.825 1.00 0.00 H ATOM 1339 H ILE A 90 2.507 9.915 -21.488 1.00 0.00 H ATOM 1340 N ILE A 91 3.573 12.028 -18.392 1.00 9.28 N ATOM 1341 CA ILE A 91 3.682 11.635 -16.989 1.00 9.35 C ATOM 1342 C ILE A 91 3.270 12.821 -16.121 1.00 9.46 C ATOM 1343 O ILE A 91 3.871 13.894 -16.209 1.00 9.37 O ATOM 1344 CB ILE A 91 5.134 11.237 -16.624 1.00 9.28 C ATOM 1345 CG1 ILE A 91 5.676 10.163 -17.579 1.00 9.68 C ATOM 1346 CG2 ILE A 91 5.197 10.737 -15.175 1.00 9.18 C ATOM 1347 CD1 ILE A 91 7.203 9.990 -17.511 1.00 10.79 C ATOM 1348 HA ILE A 91 3.035 10.774 -16.819 1.00 0.00 H ATOM 1349 HB ILE A 91 5.761 12.123 -16.725 1.00 0.00 H ATOM 1350 HG12 ILE A 91 5.210 9.211 -17.327 1.00 0.00 H ATOM 1351 HG13 ILE A 91 5.406 10.440 -18.598 1.00 0.00 H ATOM 1352 HD11 ILE A 91 7.686 10.932 -17.772 1.00 0.00 H ATOM 1353 HD12 ILE A 91 7.490 9.701 -16.500 1.00 0.00 H ATOM 1354 HD13 ILE A 91 7.511 9.215 -18.213 1.00 0.00 H ATOM 1355 HG21 ILE A 91 4.864 11.529 -14.504 1.00 0.00 H ATOM 1356 HG22 ILE A 91 4.549 9.868 -15.063 1.00 0.00 H ATOM 1357 HG23 ILE A 91 6.223 10.461 -14.932 1.00 0.00 H ATOM 1358 H ILE A 91 4.232 12.744 -18.761 1.00 0.00 H ATOM 1359 N ALA A 92 2.251 12.624 -15.285 1.00 9.38 N ATOM 1360 CA ALA A 92 1.801 13.673 -14.375 1.00 9.95 C ATOM 1361 C ALA A 92 2.628 13.711 -13.100 1.00 10.33 C ATOM 1362 O ALA A 92 2.859 12.684 -12.464 1.00 9.84 O ATOM 1363 CB ALA A 92 0.327 13.501 -14.033 1.00 10.01 C ATOM 1364 HA ALA A 92 1.937 14.622 -14.893 1.00 0.00 H ATOM 1365 HB1 ALA A 92 -0.265 13.552 -14.947 1.00 0.00 H ATOM 1366 HB2 ALA A 92 0.177 12.533 -13.554 1.00 0.00 H ATOM 1367 HB3 ALA A 92 0.018 14.295 -13.354 1.00 0.00 H ATOM 1368 H ALA A 92 1.766 11.704 -15.281 1.00 0.00 H ATOM 1369 N SER A 93 3.063 14.913 -12.741 1.00 11.16 N ATOM 1370 CA SER A 93 3.677 15.167 -11.446 1.00 12.04 C ATOM 1371 C SER A 93 2.873 16.240 -10.726 1.00 12.24 C ATOM 1372 O SER A 93 1.895 16.768 -11.269 1.00 12.24 O ATOM 1373 CB SER A 93 5.124 15.628 -11.634 1.00 12.29 C ATOM 1374 OG SER A 93 5.167 16.939 -12.174 1.00 13.14 O ATOM 1375 HA SER A 93 3.682 14.253 -10.853 1.00 0.00 H ATOM 1376 HB2 SER A 93 5.632 14.944 -12.314 1.00 0.00 H ATOM 1377 HB3 SER A 93 5.630 15.622 -10.669 1.00 0.00 H ATOM 1378 HG SER A 93 6.110 17.217 -12.287 1.00 0.00 H ATOM 1379 H SER A 93 2.961 15.703 -13.410 1.00 0.00 H ATOM 1380 N ASP A 94 3.284 16.575 -9.505 1.00 12.48 N ATOM 1381 CA ASP A 94 2.662 17.671 -8.778 1.00 12.97 C ATOM 1382 C ASP A 94 2.787 19.021 -9.490 1.00 12.52 C ATOM 1383 O ASP A 94 1.865 19.833 -9.421 1.00 12.64 O ATOM 1384 CB ASP A 94 3.234 17.761 -7.361 1.00 13.45 C ATOM 1385 CG ASP A 94 2.775 16.620 -6.482 1.00 15.72 C ATOM 1386 OD1 ASP A 94 1.583 16.604 -6.111 1.00 17.18 O ATOM 1387 OD2 ASP A 94 3.603 15.740 -6.158 1.00 19.39 O ATOM 1388 HA ASP A 94 1.597 17.445 -8.731 1.00 0.00 H ATOM 1389 HB2 ASP A 94 4.322 17.742 -7.420 1.00 0.00 H ATOM 1390 HB3 ASP A 94 2.912 18.701 -6.912 1.00 0.00 H ATOM 1391 H ASP A 94 4.062 16.045 -9.064 1.00 0.00 H ATOM 1392 N ASP A 95 3.901 19.252 -10.184 1.00 12.24 N ATOM 1393 CA ASP A 95 4.155 20.568 -10.786 1.00 11.91 C ATOM 1394 C ASP A 95 3.843 20.704 -12.285 1.00 11.59 C ATOM 1395 O ASP A 95 3.790 21.822 -12.807 1.00 11.31 O ATOM 1396 CB ASP A 95 5.574 21.060 -10.473 1.00 12.08 C ATOM 1397 CG ASP A 95 6.650 20.235 -11.152 1.00 12.43 C ATOM 1398 OD1 ASP A 95 6.314 19.246 -11.834 1.00 12.44 O ATOM 1399 OD2 ASP A 95 7.840 20.587 -11.006 1.00 13.79 O ATOM 1400 HA ASP A 95 3.423 21.216 -10.304 1.00 0.00 H ATOM 1401 HB2 ASP A 95 5.665 22.093 -10.807 1.00 0.00 H ATOM 1402 HB3 ASP A 95 5.728 21.013 -9.395 1.00 0.00 H ATOM 1403 H ASP A 95 4.600 18.491 -10.301 1.00 0.00 H ATOM 1404 N GLY A 96 3.632 19.582 -12.970 1.00 11.35 N ATOM 1405 CA GLY A 96 3.236 19.628 -14.379 1.00 10.73 C ATOM 1406 C GLY A 96 3.199 18.289 -15.080 1.00 10.38 C ATOM 1407 O GLY A 96 3.099 17.240 -14.441 1.00 10.60 O ATOM 1408 HA3 GLY A 96 3.943 20.267 -14.908 1.00 0.00 H ATOM 1409 HA2 GLY A 96 2.240 20.067 -14.436 1.00 0.00 H ATOM 1410 H GLY A 96 3.750 18.662 -12.499 1.00 0.00 H ATOM 1411 N PHE A 97 3.262 18.337 -16.407 1.00 9.99 N ATOM 1412 CA PHE A 97 3.349 17.131 -17.217 1.00 10.14 C ATOM 1413 C PHE A 97 4.739 17.011 -17.817 1.00 10.32 C ATOM 1414 O PHE A 97 5.261 17.972 -18.392 1.00 10.58 O ATOM 1415 CB PHE A 97 2.320 17.149 -18.354 1.00 10.23 C ATOM 1416 CG PHE A 97 0.901 17.232 -17.893 1.00 9.65 C ATOM 1417 CD1 PHE A 97 0.249 16.110 -17.384 1.00 10.33 C ATOM 1418 CD2 PHE A 97 0.204 18.431 -17.988 1.00 9.88 C ATOM 1419 CE1 PHE A 97 -1.073 16.193 -16.957 1.00 9.53 C ATOM 1420 CE2 PHE A 97 -1.115 18.518 -17.572 1.00 10.15 C ATOM 1421 CZ PHE A 97 -1.754 17.398 -17.050 1.00 9.82 C ATOM 1422 HA PHE A 97 3.143 16.280 -16.568 1.00 0.00 H ATOM 1423 HB2 PHE A 97 2.525 18.012 -18.988 1.00 0.00 H ATOM 1424 HB3 PHE A 97 2.438 16.235 -18.937 1.00 0.00 H ATOM 1425 HD2 PHE A 97 0.700 19.312 -18.394 1.00 0.00 H ATOM 1426 HE2 PHE A 97 -1.651 19.463 -17.654 1.00 0.00 H ATOM 1427 HZ PHE A 97 -2.789 17.467 -16.714 1.00 0.00 H ATOM 1428 HE1 PHE A 97 -1.572 15.313 -16.550 1.00 0.00 H ATOM 1429 HD1 PHE A 97 0.779 15.160 -17.320 1.00 0.00 H ATOM 1430 H PHE A 97 3.249 19.263 -16.880 1.00 0.00 H ATOM 1431 N LYS A 98 5.332 15.826 -17.696 1.00 10.30 N ATOM 1432 CA LYS A 98 6.591 15.533 -18.375 1.00 10.61 C ATOM 1433 C LYS A 98 6.276 14.752 -19.638 1.00 10.48 C ATOM 1434 O LYS A 98 5.623 13.710 -19.580 1.00 10.47 O ATOM 1435 CB LYS A 98 7.524 14.713 -17.481 1.00 10.98 C ATOM 1436 CG LYS A 98 8.080 15.469 -16.282 1.00 13.13 C ATOM 1437 CD LYS A 98 8.990 14.583 -15.427 1.00 15.26 C ATOM 1438 CE LYS A 98 8.195 13.708 -14.467 1.00 16.82 C ATOM 1439 NZ LYS A 98 9.077 12.813 -13.660 1.00 17.78 N ATOM 1440 HA LYS A 98 7.097 16.468 -18.614 1.00 0.00 H ATOM 1441 HB2 LYS A 98 6.970 13.850 -17.112 1.00 0.00 H ATOM 1442 HB3 LYS A 98 8.363 14.372 -18.087 1.00 0.00 H ATOM 1443 HG2 LYS A 98 8.653 16.325 -16.638 1.00 0.00 H ATOM 1444 HG3 LYS A 98 7.250 15.819 -15.669 1.00 0.00 H ATOM 1445 HD2 LYS A 98 9.576 13.942 -16.085 1.00 0.00 H ATOM 1446 HD3 LYS A 98 9.661 15.220 -14.850 1.00 0.00 H ATOM 1447 HE2 LYS A 98 7.503 13.094 -15.043 1.00 0.00 H ATOM 1448 HE3 LYS A 98 7.632 14.350 -13.790 1.00 0.00 H ATOM 1449 HZ1 LYS A 98 9.613 12.191 -14.297 1.00 0.00 H ATOM 1450 HZ2 LYS A 98 9.737 13.391 -13.101 1.00 0.00 H ATOM 1451 HZ3 LYS A 98 8.493 12.237 -13.021 1.00 0.00 H ATOM 1452 H LYS A 98 4.889 15.093 -17.105 1.00 0.00 H ATOM 1453 N ALA A 99 6.722 15.273 -20.777 1.00 9.95 N ATOM 1454 CA ALA A 99 6.580 14.569 -22.048 1.00 9.90 C ATOM 1455 C ALA A 99 7.888 13.878 -22.384 1.00 9.96 C ATOM 1456 O ALA A 99 8.931 14.523 -22.466 1.00 9.69 O ATOM 1457 CB ALA A 99 6.180 15.537 -23.157 1.00 9.96 C ATOM 1458 HA ALA A 99 5.792 13.821 -21.960 1.00 0.00 H ATOM 1459 HB1 ALA A 99 5.229 16.005 -22.904 1.00 0.00 H ATOM 1460 HB2 ALA A 99 6.947 16.304 -23.262 1.00 0.00 H ATOM 1461 HB3 ALA A 99 6.080 14.991 -24.095 1.00 0.00 H ATOM 1462 H ALA A 99 7.183 16.205 -20.762 1.00 0.00 H ATOM 1463 N VAL A 100 7.816 12.555 -22.540 1.00 10.44 N ATOM 1464 CA VAL A 100 8.938 11.723 -22.952 1.00 10.61 C ATOM 1465 C VAL A 100 8.624 11.149 -24.333 1.00 11.00 C ATOM 1466 O VAL A 100 7.537 10.613 -24.558 1.00 11.86 O ATOM 1467 CB VAL A 100 9.177 10.548 -21.962 1.00 10.38 C ATOM 1468 CG1 VAL A 100 10.380 9.706 -22.399 1.00 10.31 C ATOM 1469 CG2 VAL A 100 9.376 11.075 -20.532 1.00 10.26 C ATOM 1470 HA VAL A 100 9.839 12.336 -22.969 1.00 0.00 H ATOM 1471 HB VAL A 100 8.293 9.910 -21.972 1.00 0.00 H ATOM 1472 HG11 VAL A 100 10.194 9.298 -23.392 1.00 0.00 H ATOM 1473 HG12 VAL A 100 11.271 10.333 -22.423 1.00 0.00 H ATOM 1474 HG13 VAL A 100 10.527 8.890 -21.691 1.00 0.00 H ATOM 1475 HG21 VAL A 100 10.240 11.739 -20.508 1.00 0.00 H ATOM 1476 HG22 VAL A 100 8.487 11.623 -20.221 1.00 0.00 H ATOM 1477 HG23 VAL A 100 9.542 10.236 -19.857 1.00 0.00 H ATOM 1478 H VAL A 100 6.904 12.090 -22.356 1.00 0.00 H ATOM 1479 N VAL A 101 9.568 11.281 -25.257 1.00 11.50 N ATOM 1480 CA VAL A 101 9.401 10.725 -26.595 1.00 11.88 C ATOM 1481 C VAL A 101 10.561 9.779 -26.873 1.00 12.93 C ATOM 1482 O VAL A 101 11.724 10.169 -26.758 1.00 12.88 O ATOM 1483 CB VAL A 101 9.289 11.829 -27.678 1.00 11.71 C ATOM 1484 CG1 VAL A 101 8.960 11.216 -29.039 1.00 11.57 C ATOM 1485 CG2 VAL A 101 8.217 12.856 -27.297 1.00 11.55 C ATOM 1486 HA VAL A 101 8.462 10.174 -26.637 1.00 0.00 H ATOM 1487 HB VAL A 101 10.252 12.335 -27.743 1.00 0.00 H ATOM 1488 HG11 VAL A 101 9.750 10.520 -29.323 1.00 0.00 H ATOM 1489 HG12 VAL A 101 8.011 10.684 -28.977 1.00 0.00 H ATOM 1490 HG13 VAL A 101 8.886 12.008 -29.784 1.00 0.00 H ATOM 1491 HG21 VAL A 101 7.253 12.355 -27.203 1.00 0.00 H ATOM 1492 HG22 VAL A 101 8.481 13.320 -26.347 1.00 0.00 H ATOM 1493 HG23 VAL A 101 8.157 13.621 -28.072 1.00 0.00 H ATOM 1494 H VAL A 101 10.444 11.791 -25.022 1.00 0.00 H ATOM 1495 N GLY A 102 10.228 8.534 -27.217 1.00 13.63 N ATOM 1496 CA GLY A 102 11.217 7.475 -27.381 1.00 15.37 C ATOM 1497 C GLY A 102 11.942 7.198 -26.082 1.00 16.01 C ATOM 1498 O GLY A 102 11.327 6.825 -25.081 1.00 16.62 O ATOM 1499 HA3 GLY A 102 11.942 7.779 -28.136 1.00 0.00 H ATOM 1500 HA2 GLY A 102 10.714 6.565 -27.709 1.00 0.00 H ATOM 1501 H GLY A 102 9.225 8.310 -27.374 1.00 0.00 H ATOM 1502 N ASP A 103 13.254 7.398 -26.095 1.00 17.21 N ATOM 1503 CA ASP A 103 14.082 7.156 -24.917 1.00 17.73 C ATOM 1504 C ASP A 103 14.597 8.453 -24.298 1.00 17.34 C ATOM 1505 O ASP A 103 15.629 8.454 -23.621 1.00 18.01 O ATOM 1506 CB ASP A 103 15.270 6.259 -25.284 1.00 18.41 C ATOM 1507 CG ASP A 103 14.846 4.952 -25.932 1.00 20.40 C ATOM 1508 OD1 ASP A 103 13.821 4.372 -25.513 1.00 22.45 O ATOM 1509 OD2 ASP A 103 15.549 4.504 -26.867 1.00 24.06 O ATOM 1510 HA ASP A 103 13.453 6.660 -24.178 1.00 0.00 H ATOM 1511 HB2 ASP A 103 15.913 6.800 -25.979 1.00 0.00 H ATOM 1512 HB3 ASP A 103 15.829 6.032 -24.376 1.00 0.00 H ATOM 1513 H ASP A 103 13.705 7.737 -26.969 1.00 0.00 H ATOM 1514 N ALA A 104 13.894 9.559 -24.524 1.00 16.64 N ATOM 1515 CA ALA A 104 14.408 10.850 -24.080 1.00 15.79 C ATOM 1516 C ALA A 104 13.350 11.784 -23.512 1.00 15.16 C ATOM 1517 O ALA A 104 12.289 11.982 -24.109 1.00 14.83 O ATOM 1518 CB ALA A 104 15.175 11.537 -25.212 1.00 16.15 C ATOM 1519 HA ALA A 104 15.082 10.630 -23.252 1.00 0.00 H ATOM 1520 HB1 ALA A 104 16.011 10.907 -25.517 1.00 0.00 H ATOM 1521 HB2 ALA A 104 14.507 11.693 -26.059 1.00 0.00 H ATOM 1522 HB3 ALA A 104 15.551 12.499 -24.863 1.00 0.00 H ATOM 1523 H ALA A 104 12.980 9.504 -25.016 1.00 0.00 H ATOM 1524 N GLN A 105 13.660 12.355 -22.351 1.00 14.43 N ATOM 1525 CA GLN A 105 12.867 13.431 -21.783 1.00 13.82 C ATOM 1526 C GLN A 105 12.841 14.589 -22.777 1.00 13.50 C ATOM 1527 O GLN A 105 13.887 15.006 -23.282 1.00 13.62 O ATOM 1528 CB GLN A 105 13.456 13.867 -20.433 1.00 14.06 C ATOM 1529 CG GLN A 105 12.867 15.151 -19.843 1.00 14.54 C ATOM 1530 CD GLN A 105 11.363 15.080 -19.606 1.00 15.97 C ATOM 1531 OE1 GLN A 105 10.822 14.034 -19.244 1.00 16.48 O ATOM 1532 NE2 GLN A 105 10.687 16.205 -19.799 1.00 15.78 N ATOM 1533 HA GLN A 105 11.847 13.094 -21.600 1.00 0.00 H ATOM 1534 HB2 GLN A 105 13.291 13.061 -19.718 1.00 0.00 H ATOM 1535 HB3 GLN A 105 14.527 14.018 -20.566 1.00 0.00 H ATOM 1536 HG2 GLN A 105 13.357 15.349 -18.890 1.00 0.00 H ATOM 1537 HG3 GLN A 105 13.069 15.971 -20.532 1.00 0.00 H ATOM 1538 HE22 GLN A 105 11.185 17.065 -20.105 1.00 0.00 H ATOM 1539 HE21 GLN A 105 9.659 16.227 -19.644 1.00 0.00 H ATOM 1540 H GLN A 105 14.497 12.020 -21.833 1.00 0.00 H ATOM 1541 N TYR A 106 11.644 15.094 -23.059 1.00 12.77 N ATOM 1542 CA TYR A 106 11.460 16.068 -24.137 1.00 12.45 C ATOM 1543 C TYR A 106 11.048 17.459 -23.653 1.00 12.18 C ATOM 1544 O TYR A 106 11.677 18.458 -24.017 1.00 12.17 O ATOM 1545 CB TYR A 106 10.470 15.525 -25.186 1.00 12.62 C ATOM 1546 CG TYR A 106 10.176 16.486 -26.317 1.00 12.87 C ATOM 1547 CD1 TYR A 106 11.175 16.874 -27.209 1.00 12.84 C ATOM 1548 CD2 TYR A 106 8.897 17.013 -26.490 1.00 12.94 C ATOM 1549 CE1 TYR A 106 10.910 17.760 -28.242 1.00 12.93 C ATOM 1550 CE2 TYR A 106 8.620 17.898 -27.518 1.00 13.73 C ATOM 1551 CZ TYR A 106 9.634 18.271 -28.388 1.00 13.79 C ATOM 1552 OH TYR A 106 9.366 19.145 -29.404 1.00 14.55 O ATOM 1553 HA TYR A 106 12.438 16.202 -24.600 1.00 0.00 H ATOM 1554 HB3 TYR A 106 9.532 15.292 -24.683 1.00 0.00 H ATOM 1555 HB2 TYR A 106 10.889 14.613 -25.612 1.00 0.00 H ATOM 1556 HD2 TYR A 106 8.101 16.723 -25.804 1.00 0.00 H ATOM 1557 HE2 TYR A 106 7.614 18.298 -27.643 1.00 0.00 H ATOM 1558 HE1 TYR A 106 11.701 18.051 -28.933 1.00 0.00 H ATOM 1559 HD1 TYR A 106 12.182 16.474 -27.092 1.00 0.00 H ATOM 1560 HH TYR A 106 10.191 19.304 -29.927 1.00 0.00 H ATOM 1561 H TYR A 106 10.820 14.791 -22.502 1.00 0.00 H ATOM 1562 N HIS A 107 9.995 17.530 -22.843 1.00 11.88 N ATOM 1563 CA HIS A 107 9.477 18.818 -22.387 1.00 11.65 C ATOM 1564 C HIS A 107 8.721 18.687 -21.073 1.00 11.54 C ATOM 1565 O HIS A 107 8.123 17.643 -20.795 1.00 11.39 O ATOM 1566 CB HIS A 107 8.566 19.429 -23.461 1.00 11.66 C ATOM 1567 CG HIS A 107 8.213 20.865 -23.221 1.00 12.13 C ATOM 1568 ND1 HIS A 107 9.093 21.898 -23.466 1.00 12.98 N ATOM 1569 CD2 HIS A 107 7.071 21.441 -22.776 1.00 11.22 C ATOM 1570 CE1 HIS A 107 8.510 23.047 -23.173 1.00 13.65 C ATOM 1571 NE2 HIS A 107 7.280 22.798 -22.761 1.00 11.72 N ATOM 1572 HA HIS A 107 10.328 19.477 -22.216 1.00 0.00 H ATOM 1573 HB2 HIS A 107 9.075 19.358 -24.422 1.00 0.00 H ATOM 1574 HB3 HIS A 107 7.643 18.851 -23.496 1.00 0.00 H ATOM 1575 HD2 HIS A 107 6.157 20.924 -22.484 1.00 0.00 H ATOM 1576 HE1 HIS A 107 8.967 24.033 -23.257 1.00 0.00 H ATOM 1577 H HIS A 107 9.532 16.653 -22.529 1.00 0.00 H ATOM 1578 N HIS A 108 8.779 19.747 -20.265 1.00 11.44 N ATOM 1579 CA HIS A 108 7.973 19.856 -19.054 1.00 11.68 C ATOM 1580 C HIS A 108 6.986 21.012 -19.215 1.00 11.39 C ATOM 1581 O HIS A 108 7.385 22.149 -19.505 1.00 11.42 O ATOM 1582 CB HIS A 108 8.856 20.072 -17.818 1.00 11.84 C ATOM 1583 CG HIS A 108 8.088 20.142 -16.535 1.00 13.25 C ATOM 1584 ND1 HIS A 108 7.612 21.327 -16.017 1.00 15.88 N ATOM 1585 CD2 HIS A 108 7.694 19.172 -15.675 1.00 15.29 C ATOM 1586 CE1 HIS A 108 6.966 21.088 -14.890 1.00 15.19 C ATOM 1587 NE2 HIS A 108 7.005 19.788 -14.657 1.00 15.84 N ATOM 1588 HA HIS A 108 7.427 18.924 -18.907 1.00 0.00 H ATOM 1589 HB2 HIS A 108 9.563 19.245 -17.751 1.00 0.00 H ATOM 1590 HB3 HIS A 108 9.402 21.007 -17.944 1.00 0.00 H ATOM 1591 HD2 HIS A 108 7.887 18.104 -15.772 1.00 0.00 H ATOM 1592 HE1 HIS A 108 6.483 21.835 -14.260 1.00 0.00 H ATOM 1593 H HIS A 108 9.424 20.526 -20.508 1.00 0.00 H ATOM 1594 N PHE A 109 5.704 20.701 -19.038 1.00 10.60 N ATOM 1595 CA PHE A 109 4.614 21.663 -19.174 1.00 10.66 C ATOM 1596 C PHE A 109 4.024 21.899 -17.789 1.00 10.52 C ATOM 1597 O PHE A 109 3.398 21.006 -17.214 1.00 10.80 O ATOM 1598 CB PHE A 109 3.552 21.102 -20.129 1.00 10.36 C ATOM 1599 CG PHE A 109 2.450 22.074 -20.482 1.00 9.69 C ATOM 1600 CD1 PHE A 109 2.643 23.034 -21.476 1.00 10.67 C ATOM 1601 CD2 PHE A 109 1.215 22.006 -19.848 1.00 10.27 C ATOM 1602 CE1 PHE A 109 1.624 23.918 -21.823 1.00 10.83 C ATOM 1603 CE2 PHE A 109 0.188 22.887 -20.184 1.00 10.30 C ATOM 1604 CZ PHE A 109 0.390 23.842 -21.178 1.00 10.56 C ATOM 1605 HA PHE A 109 4.975 22.606 -19.586 1.00 0.00 H ATOM 1606 HB2 PHE A 109 4.048 20.800 -21.051 1.00 0.00 H ATOM 1607 HB3 PHE A 109 3.099 20.229 -19.659 1.00 0.00 H ATOM 1608 HD2 PHE A 109 1.047 21.254 -19.077 1.00 0.00 H ATOM 1609 HE2 PHE A 109 -0.771 22.829 -19.670 1.00 0.00 H ATOM 1610 HZ PHE A 109 -0.413 24.527 -21.450 1.00 0.00 H ATOM 1611 HE1 PHE A 109 1.791 24.667 -22.597 1.00 0.00 H ATOM 1612 HD1 PHE A 109 3.604 23.093 -21.988 1.00 0.00 H ATOM 1613 H PHE A 109 5.466 19.720 -18.789 1.00 0.00 H ATOM 1614 N ARG A 110 4.251 23.091 -17.239 1.00 10.78 N ATOM 1615 CA ARG A 110 3.743 23.428 -15.907 1.00 10.86 C ATOM 1616 C ARG A 110 2.219 23.490 -15.927 1.00 10.63 C ATOM 1617 O ARG A 110 1.638 24.004 -16.878 1.00 10.53 O ATOM 1618 CB ARG A 110 4.322 24.764 -15.436 1.00 11.35 C ATOM 1619 CG ARG A 110 3.994 25.126 -13.997 1.00 14.09 C ATOM 1620 CD ARG A 110 4.754 26.368 -13.564 1.00 17.93 C ATOM 1621 NE ARG A 110 4.526 26.689 -12.156 1.00 21.30 N ATOM 1622 CZ ARG A 110 5.231 26.194 -11.141 1.00 22.84 C ATOM 1623 NH1 ARG A 110 6.230 25.339 -11.356 1.00 23.94 N ATOM 1624 NH2 ARG A 110 4.939 26.560 -9.901 1.00 24.16 N ATOM 1625 HA ARG A 110 4.054 22.651 -15.209 1.00 0.00 H ATOM 1626 HB2 ARG A 110 5.406 24.719 -15.536 1.00 0.00 H ATOM 1627 HB3 ARG A 110 3.931 25.550 -16.082 1.00 0.00 H ATOM 1628 HG2 ARG A 110 2.924 25.314 -13.911 1.00 0.00 H ATOM 1629 HG3 ARG A 110 4.269 24.295 -13.348 1.00 0.00 H ATOM 1630 HD2 ARG A 110 4.428 27.210 -14.174 1.00 0.00 H ATOM 1631 HD3 ARG A 110 5.820 26.200 -13.718 1.00 0.00 H ATOM 1632 HE ARG A 110 3.757 27.352 -11.931 1.00 0.00 H ATOM 1633 HH12 ARG A 110 6.772 24.960 -10.553 1.00 0.00 H ATOM 1634 HH11 ARG A 110 6.468 25.050 -12.326 1.00 0.00 H ATOM 1635 HH22 ARG A 110 5.486 26.177 -9.103 1.00 0.00 H ATOM 1636 HH21 ARG A 110 4.163 27.230 -9.726 1.00 0.00 H ATOM 1637 H ARG A 110 4.801 23.798 -17.767 1.00 0.00 H ATOM 1638 N HIS A 111 1.578 22.947 -14.888 1.00 10.10 N ATOM 1639 CA HIS A 111 0.118 22.947 -14.813 1.00 10.09 C ATOM 1640 C HIS A 111 -0.441 24.356 -14.923 1.00 10.29 C ATOM 1641 O HIS A 111 0.033 25.282 -14.254 1.00 9.68 O ATOM 1642 CB HIS A 111 -0.386 22.319 -13.512 1.00 10.24 C ATOM 1643 CG HIS A 111 -0.120 20.851 -13.393 1.00 9.87 C ATOM 1644 ND1 HIS A 111 -0.444 19.949 -14.385 1.00 10.31 N ATOM 1645 CD2 HIS A 111 0.415 20.125 -12.383 1.00 10.33 C ATOM 1646 CE1 HIS A 111 -0.104 18.732 -13.997 1.00 10.36 C ATOM 1647 NE2 HIS A 111 0.419 18.811 -12.785 1.00 10.50 N ATOM 1648 HA HIS A 111 -0.231 22.349 -15.655 1.00 0.00 H ATOM 1649 HB2 HIS A 111 0.102 22.823 -12.678 1.00 0.00 H ATOM 1650 HB3 HIS A 111 -1.463 22.477 -13.451 1.00 0.00 H ATOM 1651 HD2 HIS A 111 0.775 20.511 -11.429 1.00 0.00 H ATOM 1652 HE1 HIS A 111 -0.233 17.818 -14.577 1.00 0.00 H ATOM 1653 H HIS A 111 2.128 22.516 -14.118 1.00 0.00 H ATOM 1654 N ARG A 112 -1.453 24.500 -15.767 1.00 10.14 N ATOM 1655 CA ARG A 112 -2.155 25.763 -15.928 1.00 10.77 C ATOM 1656 C ARG A 112 -3.581 25.627 -15.410 1.00 10.90 C ATOM 1657 O ARG A 112 -4.204 26.616 -14.998 1.00 11.27 O ATOM 1658 CB ARG A 112 -2.155 26.172 -17.395 1.00 10.69 C ATOM 1659 CG ARG A 112 -0.774 26.403 -17.962 1.00 10.69 C ATOM 1660 CD ARG A 112 -0.900 26.761 -19.417 1.00 10.52 C ATOM 1661 NE ARG A 112 0.382 26.998 -20.061 1.00 9.88 N ATOM 1662 CZ ARG A 112 0.500 27.385 -21.329 1.00 9.44 C ATOM 1663 NH1 ARG A 112 -0.588 27.574 -22.067 1.00 9.76 N ATOM 1664 NH2 ARG A 112 1.698 27.586 -21.855 1.00 9.24 N ATOM 1665 HA ARG A 112 -1.646 26.537 -15.353 1.00 0.00 H ATOM 1666 HB2 ARG A 112 -2.637 25.383 -17.972 1.00 0.00 H ATOM 1667 HB3 ARG A 112 -2.727 27.094 -17.495 1.00 0.00 H ATOM 1668 HG2 ARG A 112 -0.289 27.218 -17.425 1.00 0.00 H ATOM 1669 HG3 ARG A 112 -0.179 25.496 -17.858 1.00 0.00 H ATOM 1670 HD2 ARG A 112 -1.503 27.665 -19.501 1.00 0.00 H ATOM 1671 HD3 ARG A 112 -1.402 25.943 -19.933 1.00 0.00 H ATOM 1672 HE ARG A 112 1.249 26.858 -19.504 1.00 0.00 H ATOM 1673 HH12 ARG A 112 -0.498 27.876 -23.058 1.00 0.00 H ATOM 1674 HH11 ARG A 112 -1.530 27.420 -21.654 1.00 0.00 H ATOM 1675 HH22 ARG A 112 1.787 27.888 -22.846 1.00 0.00 H ATOM 1676 HH21 ARG A 112 2.551 27.442 -21.277 1.00 0.00 H ATOM 1677 H ARG A 112 -1.755 23.682 -16.333 1.00 0.00 H ATOM 1678 N LEU A 113 -4.085 24.394 -15.454 1.00 11.03 N ATOM 1679 CA LEU A 113 -5.386 24.018 -14.904 1.00 11.20 C ATOM 1680 C LEU A 113 -5.162 22.933 -13.846 1.00 11.37 C ATOM 1681 O LEU A 113 -4.156 22.213 -13.907 1.00 10.99 O ATOM 1682 CB LEU A 113 -6.295 23.467 -16.011 1.00 11.50 C ATOM 1683 CG LEU A 113 -6.872 24.371 -17.109 1.00 11.92 C ATOM 1684 CD1 LEU A 113 -5.809 24.923 -18.058 1.00 12.94 C ATOM 1685 CD2 LEU A 113 -7.920 23.608 -17.893 1.00 11.58 C ATOM 1686 HA LEU A 113 -5.865 24.893 -14.465 1.00 0.00 H ATOM 1687 HB2 LEU A 113 -5.721 22.693 -16.521 1.00 0.00 H ATOM 1688 HB3 LEU A 113 -7.149 23.013 -15.508 1.00 0.00 H ATOM 1689 HG LEU A 113 -7.319 25.232 -16.611 1.00 0.00 H ATOM 1690 HD21 LEU A 113 -7.463 22.729 -18.348 1.00 0.00 H ATOM 1691 HD22 LEU A 113 -8.719 23.297 -17.221 1.00 0.00 H ATOM 1692 HD23 LEU A 113 -8.329 24.251 -18.672 1.00 0.00 H ATOM 1693 HD11 LEU A 113 -5.089 25.513 -17.491 1.00 0.00 H ATOM 1694 HD12 LEU A 113 -5.297 24.095 -18.549 1.00 0.00 H ATOM 1695 HD13 LEU A 113 -6.286 25.553 -18.809 1.00 0.00 H ATOM 1696 H LEU A 113 -3.516 23.652 -15.909 1.00 0.00 H ATOM 1697 N PRO A 114 -6.086 22.803 -12.870 1.00 11.53 N ATOM 1698 CA PRO A 114 -5.896 21.739 -11.874 1.00 11.76 C ATOM 1699 C PRO A 114 -5.897 20.340 -12.492 1.00 12.18 C ATOM 1700 O PRO A 114 -6.764 20.033 -13.309 1.00 11.83 O ATOM 1701 CB PRO A 114 -7.112 21.900 -10.951 1.00 11.89 C ATOM 1702 CG PRO A 114 -7.497 23.322 -11.084 1.00 12.02 C ATOM 1703 CD PRO A 114 -7.235 23.662 -12.536 1.00 11.68 C ATOM 1704 HA PRO A 114 -4.933 21.829 -11.372 1.00 0.00 H ATOM 1705 HD3 PRO A 114 -8.098 23.423 -13.157 1.00 0.00 H ATOM 1706 HD2 PRO A 114 -6.985 24.716 -12.654 1.00 0.00 H ATOM 1707 HG3 PRO A 114 -6.891 23.947 -10.428 1.00 0.00 H ATOM 1708 HG2 PRO A 114 -8.551 23.459 -10.842 1.00 0.00 H ATOM 1709 HB2 PRO A 114 -7.926 21.249 -11.270 1.00 0.00 H ATOM 1710 HB3 PRO A 114 -6.846 21.668 -9.920 1.00 0.00 H ATOM 1711 N LEU A 115 -4.927 19.515 -12.099 1.00 12.37 N ATOM 1712 CA LEU A 115 -4.898 18.100 -12.489 1.00 13.30 C ATOM 1713 C LEU A 115 -6.239 17.434 -12.248 1.00 13.41 C ATOM 1714 O LEU A 115 -6.701 16.643 -13.069 1.00 13.40 O ATOM 1715 CB LEU A 115 -3.834 17.333 -11.704 1.00 13.77 C ATOM 1716 CG LEU A 115 -2.549 16.924 -12.413 1.00 14.93 C ATOM 1717 CD1 LEU A 115 -1.772 15.927 -11.557 1.00 15.07 C ATOM 1718 CD2 LEU A 115 -2.827 16.331 -13.791 1.00 15.02 C ATOM 1719 HA LEU A 115 -4.662 18.074 -13.553 1.00 0.00 H ATOM 1720 HB2 LEU A 115 -3.548 17.958 -10.858 1.00 0.00 H ATOM 1721 HB3 LEU A 115 -4.303 16.419 -11.338 1.00 0.00 H ATOM 1722 HG LEU A 115 -1.949 17.823 -12.556 1.00 0.00 H ATOM 1723 HD21 LEU A 115 -3.456 15.447 -13.685 1.00 0.00 H ATOM 1724 HD22 LEU A 115 -3.338 17.071 -14.407 1.00 0.00 H ATOM 1725 HD23 LEU A 115 -1.884 16.053 -14.262 1.00 0.00 H ATOM 1726 HD11 LEU A 115 -1.523 16.388 -10.601 1.00 0.00 H ATOM 1727 HD12 LEU A 115 -2.385 15.042 -11.386 1.00 0.00 H ATOM 1728 HD13 LEU A 115 -0.856 15.642 -12.074 1.00 0.00 H ATOM 1729 H LEU A 115 -4.165 19.886 -11.496 1.00 0.00 H ATOM 1730 N ALA A 116 -6.857 17.772 -11.116 1.00 13.70 N ATOM 1731 CA ALA A 116 -8.129 17.187 -10.696 1.00 14.09 C ATOM 1732 C ALA A 116 -9.271 17.368 -11.700 1.00 14.43 C ATOM 1733 O ALA A 116 -10.241 16.613 -11.666 1.00 14.80 O ATOM 1734 CB ALA A 116 -8.532 17.729 -9.324 1.00 14.39 C ATOM 1735 HA ALA A 116 -7.958 16.112 -10.640 1.00 0.00 H ATOM 1736 HB1 ALA A 116 -7.763 17.475 -8.594 1.00 0.00 H ATOM 1737 HB2 ALA A 116 -8.638 18.812 -9.380 1.00 0.00 H ATOM 1738 HB3 ALA A 116 -9.481 17.285 -9.024 1.00 0.00 H ATOM 1739 H ALA A 116 -6.413 18.485 -10.503 1.00 0.00 H ATOM 1740 N ARG A 117 -9.161 18.360 -12.584 1.00 14.05 N ATOM 1741 CA ARG A 117 -10.216 18.636 -13.567 1.00 13.75 C ATOM 1742 C ARG A 117 -10.206 17.695 -14.782 1.00 13.56 C ATOM 1743 O ARG A 117 -11.212 17.584 -15.485 1.00 13.30 O ATOM 1744 CB ARG A 117 -10.164 20.098 -14.031 1.00 14.00 C ATOM 1745 CG ARG A 117 -10.742 21.103 -13.031 1.00 15.17 C ATOM 1746 CD ARG A 117 -10.994 22.457 -13.686 1.00 16.84 C ATOM 1747 NE ARG A 117 -12.044 22.376 -14.703 1.00 17.53 N ATOM 1748 CZ ARG A 117 -12.112 23.130 -15.798 1.00 18.66 C ATOM 1749 NH1 ARG A 117 -11.190 24.051 -16.049 1.00 20.13 N ATOM 1750 NH2 ARG A 117 -13.112 22.956 -16.652 1.00 19.36 N ATOM 1751 HA ARG A 117 -11.154 18.448 -13.044 1.00 0.00 H ATOM 1752 HB2 ARG A 117 -9.122 20.360 -14.214 1.00 0.00 H ATOM 1753 HB3 ARG A 117 -10.727 20.181 -14.961 1.00 0.00 H ATOM 1754 HG2 ARG A 117 -11.684 20.716 -12.643 1.00 0.00 H ATOM 1755 HG3 ARG A 117 -10.037 21.232 -12.209 1.00 0.00 H ATOM 1756 HD2 ARG A 117 -10.072 22.800 -14.155 1.00 0.00 H ATOM 1757 HD3 ARG A 117 -11.298 23.170 -12.920 1.00 0.00 H ATOM 1758 HE ARG A 117 -12.797 21.673 -14.558 1.00 0.00 H ATOM 1759 HH12 ARG A 117 -11.256 24.633 -16.909 1.00 0.00 H ATOM 1760 HH11 ARG A 117 -10.401 24.191 -15.386 1.00 0.00 H ATOM 1761 HH22 ARG A 117 -13.171 23.542 -17.509 1.00 0.00 H ATOM 1762 HH21 ARG A 117 -13.837 22.234 -16.464 1.00 0.00 H ATOM 1763 H ARG A 117 -8.307 18.953 -12.577 1.00 0.00 H ATOM 1764 N VAL A 118 -9.080 17.029 -15.028 1.00 13.20 N ATOM 1765 CA VAL A 118 -8.928 16.194 -16.228 1.00 13.17 C ATOM 1766 C VAL A 118 -9.797 14.931 -16.158 1.00 13.47 C ATOM 1767 O VAL A 118 -9.742 14.187 -15.175 1.00 13.46 O ATOM 1768 CB VAL A 118 -7.443 15.826 -16.498 1.00 12.97 C ATOM 1769 CG1 VAL A 118 -7.311 15.060 -17.809 1.00 13.04 C ATOM 1770 CG2 VAL A 118 -6.576 17.084 -16.549 1.00 13.41 C ATOM 1771 HA VAL A 118 -9.277 16.794 -17.068 1.00 0.00 H ATOM 1772 HB VAL A 118 -7.100 15.193 -15.680 1.00 0.00 H ATOM 1773 HG11 VAL A 118 -7.898 14.144 -17.754 1.00 0.00 H ATOM 1774 HG12 VAL A 118 -7.677 15.679 -18.628 1.00 0.00 H ATOM 1775 HG13 VAL A 118 -6.263 14.812 -17.979 1.00 0.00 H ATOM 1776 HG21 VAL A 118 -6.929 17.735 -17.348 1.00 0.00 H ATOM 1777 HG22 VAL A 118 -6.642 17.608 -15.596 1.00 0.00 H ATOM 1778 HG23 VAL A 118 -5.540 16.802 -16.739 1.00 0.00 H ATOM 1779 H VAL A 118 -8.290 17.101 -14.356 1.00 0.00 H ATOM 1780 N ARG A 119 -10.587 14.702 -17.210 1.00 13.81 N ATOM 1781 CA ARG A 119 -11.554 13.598 -17.258 1.00 14.13 C ATOM 1782 C ARG A 119 -11.354 12.638 -18.434 1.00 13.70 C ATOM 1783 O ARG A 119 -11.780 11.485 -18.369 1.00 13.47 O ATOM 1784 CB ARG A 119 -12.985 14.149 -17.326 1.00 14.59 C ATOM 1785 CG ARG A 119 -13.385 15.029 -16.156 1.00 16.80 C ATOM 1786 CD ARG A 119 -13.827 14.205 -14.967 1.00 21.08 C ATOM 1787 NE ARG A 119 -13.330 14.779 -13.721 1.00 25.28 N ATOM 1788 CZ ARG A 119 -12.302 14.297 -13.028 1.00 26.28 C ATOM 1789 NH1 ARG A 119 -11.655 13.211 -13.437 1.00 28.03 N ATOM 1790 NH2 ARG A 119 -11.930 14.895 -11.911 1.00 28.00 N ATOM 1791 HA ARG A 119 -11.386 13.030 -16.343 1.00 0.00 H ATOM 1792 HB2 ARG A 119 -13.080 14.736 -18.240 1.00 0.00 H ATOM 1793 HB3 ARG A 119 -13.672 13.304 -17.366 1.00 0.00 H ATOM 1794 HG2 ARG A 119 -12.531 15.641 -15.865 1.00 0.00 H ATOM 1795 HG3 ARG A 119 -14.206 15.676 -16.464 1.00 0.00 H ATOM 1796 HD2 ARG A 119 -13.441 13.191 -15.072 1.00 0.00 H ATOM 1797 HD3 ARG A 119 -14.916 14.176 -14.937 1.00 0.00 H ATOM 1798 HE ARG A 119 -13.812 15.622 -13.349 1.00 0.00 H ATOM 1799 HH12 ARG A 119 -10.853 12.845 -12.885 1.00 0.00 H ATOM 1800 HH11 ARG A 119 -11.951 12.727 -14.309 1.00 0.00 H ATOM 1801 HH22 ARG A 119 -11.127 14.523 -11.365 1.00 0.00 H ATOM 1802 HH21 ARG A 119 -12.440 15.738 -11.578 1.00 0.00 H ATOM 1803 H ARG A 119 -10.514 15.334 -18.033 1.00 0.00 H ATOM 1804 N LEU A 120 -10.729 13.121 -19.509 1.00 13.85 N ATOM 1805 CA LEU A 120 -10.675 12.389 -20.774 1.00 14.07 C ATOM 1806 C LEU A 120 -9.345 12.629 -21.491 1.00 13.59 C ATOM 1807 O LEU A 120 -8.773 13.718 -21.388 1.00 13.00 O ATOM 1808 CB LEU A 120 -11.855 12.836 -21.663 1.00 14.79 C ATOM 1809 CG LEU A 120 -12.030 12.439 -23.130 1.00 16.56 C ATOM 1810 CD1 LEU A 120 -12.431 10.973 -23.246 1.00 19.33 C ATOM 1811 CD2 LEU A 120 -13.069 13.326 -23.801 1.00 19.52 C ATOM 1812 HA LEU A 120 -10.752 11.321 -20.571 1.00 0.00 H ATOM 1813 HB2 LEU A 120 -12.754 12.488 -21.155 1.00 0.00 H ATOM 1814 HB3 LEU A 120 -11.833 13.926 -21.654 1.00 0.00 H ATOM 1815 HG LEU A 120 -11.075 12.576 -23.638 1.00 0.00 H ATOM 1816 HD21 LEU A 120 -14.024 13.217 -23.287 1.00 0.00 H ATOM 1817 HD22 LEU A 120 -12.745 14.365 -23.751 1.00 0.00 H ATOM 1818 HD23 LEU A 120 -13.180 13.029 -24.844 1.00 0.00 H ATOM 1819 HD11 LEU A 120 -11.656 10.349 -22.801 1.00 0.00 H ATOM 1820 HD12 LEU A 120 -13.373 10.813 -22.722 1.00 0.00 H ATOM 1821 HD13 LEU A 120 -12.550 10.712 -24.298 1.00 0.00 H ATOM 1822 H LEU A 120 -10.265 14.049 -19.445 1.00 0.00 H ATOM 1823 N VAL A 121 -8.854 11.600 -22.188 1.00 13.27 N ATOM 1824 CA VAL A 121 -7.743 11.745 -23.140 1.00 13.41 C ATOM 1825 C VAL A 121 -8.275 11.556 -24.560 1.00 13.31 C ATOM 1826 O VAL A 121 -8.933 10.555 -24.862 1.00 13.36 O ATOM 1827 CB VAL A 121 -6.591 10.736 -22.879 1.00 13.34 C ATOM 1828 CG1 VAL A 121 -5.461 10.907 -23.917 1.00 13.25 C ATOM 1829 CG2 VAL A 121 -6.041 10.908 -21.481 1.00 14.43 C ATOM 1830 HA VAL A 121 -7.328 12.744 -23.010 1.00 0.00 H ATOM 1831 HB VAL A 121 -6.999 9.730 -22.976 1.00 0.00 H ATOM 1832 HG11 VAL A 121 -5.859 10.734 -24.917 1.00 0.00 H ATOM 1833 HG12 VAL A 121 -5.061 11.919 -23.854 1.00 0.00 H ATOM 1834 HG13 VAL A 121 -4.668 10.188 -23.711 1.00 0.00 H ATOM 1835 HG21 VAL A 121 -5.657 11.922 -21.365 1.00 0.00 H ATOM 1836 HG22 VAL A 121 -6.836 10.734 -20.755 1.00 0.00 H ATOM 1837 HG23 VAL A 121 -5.235 10.192 -21.318 1.00 0.00 H ATOM 1838 H VAL A 121 -9.275 10.659 -22.052 1.00 0.00 H ATOM 1839 N GLU A 122 -7.996 12.525 -25.425 1.00 13.24 N ATOM 1840 CA GLU A 122 -8.394 12.430 -26.827 1.00 13.87 C ATOM 1841 C GLU A 122 -7.185 12.498 -27.747 1.00 13.43 C ATOM 1842 O GLU A 122 -6.304 13.347 -27.570 1.00 13.53 O ATOM 1843 CB GLU A 122 -9.402 13.526 -27.187 1.00 14.20 C ATOM 1844 CG GLU A 122 -9.991 13.376 -28.586 1.00 17.01 C ATOM 1845 CD GLU A 122 -11.003 14.456 -28.937 1.00 20.50 C ATOM 1846 OE1 GLU A 122 -11.714 14.940 -28.035 1.00 21.98 O ATOM 1847 OE2 GLU A 122 -11.094 14.817 -30.128 1.00 22.89 O ATOM 1848 HA GLU A 122 -8.874 11.462 -26.968 1.00 0.00 H ATOM 1849 HB2 GLU A 122 -10.217 13.496 -26.464 1.00 0.00 H ATOM 1850 HB3 GLU A 122 -8.899 14.491 -27.126 1.00 0.00 H ATOM 1851 HG2 GLU A 122 -9.177 13.417 -29.310 1.00 0.00 H ATOM 1852 HG3 GLU A 122 -10.484 12.406 -28.651 1.00 0.00 H ATOM 1853 H GLU A 122 -7.484 13.369 -25.097 1.00 0.00 H ATOM 1854 N VAL A 123 -7.144 11.596 -28.724 1.00 12.83 N ATOM 1855 CA VAL A 123 -6.101 11.624 -29.749 1.00 12.79 C ATOM 1856 C VAL A 123 -6.762 11.883 -31.099 1.00 12.68 C ATOM 1857 O VAL A 123 -7.679 11.162 -31.493 1.00 12.83 O ATOM 1858 CB VAL A 123 -5.284 10.307 -29.789 1.00 12.84 C ATOM 1859 CG1 VAL A 123 -4.175 10.387 -30.844 1.00 13.19 C ATOM 1860 CG2 VAL A 123 -4.696 9.983 -28.420 1.00 12.82 C ATOM 1861 HA VAL A 123 -5.396 12.420 -29.510 1.00 0.00 H ATOM 1862 HB VAL A 123 -5.965 9.501 -30.064 1.00 0.00 H ATOM 1863 HG11 VAL A 123 -4.620 10.555 -31.825 1.00 0.00 H ATOM 1864 HG12 VAL A 123 -3.504 11.211 -30.602 1.00 0.00 H ATOM 1865 HG13 VAL A 123 -3.616 9.451 -30.853 1.00 0.00 H ATOM 1866 HG21 VAL A 123 -4.037 10.793 -28.108 1.00 0.00 H ATOM 1867 HG22 VAL A 123 -5.503 9.871 -27.696 1.00 0.00 H ATOM 1868 HG23 VAL A 123 -4.129 9.054 -28.480 1.00 0.00 H ATOM 1869 H VAL A 123 -7.871 10.853 -28.760 1.00 0.00 H ATOM 1870 N GLY A 124 -6.296 12.916 -31.796 1.00 12.35 N ATOM 1871 CA GLY A 124 -6.880 13.317 -33.076 1.00 12.32 C ATOM 1872 C GLY A 124 -5.875 13.807 -34.098 1.00 11.89 C ATOM 1873 O GLY A 124 -4.684 13.941 -33.799 1.00 11.65 O ATOM 1874 HA3 GLY A 124 -7.594 14.119 -32.889 1.00 0.00 H ATOM 1875 HA2 GLY A 124 -7.402 12.458 -33.496 1.00 0.00 H ATOM 1876 H GLY A 124 -5.491 13.456 -31.419 1.00 0.00 H ATOM 1877 N GLY A 125 -6.364 14.073 -35.310 1.00 12.11 N ATOM 1878 CA GLY A 125 -5.520 14.555 -36.401 1.00 11.85 C ATOM 1879 C GLY A 125 -4.910 13.452 -37.246 1.00 11.88 C ATOM 1880 O GLY A 125 -5.417 12.327 -37.275 1.00 11.85 O ATOM 1881 HA3 GLY A 125 -4.710 15.146 -35.973 1.00 0.00 H ATOM 1882 HA2 GLY A 125 -6.126 15.188 -37.049 1.00 0.00 H ATOM 1883 H GLY A 125 -7.380 13.933 -35.484 1.00 0.00 H ATOM 1884 N ASP A 126 -3.804 13.783 -37.915 1.00 11.76 N ATOM 1885 CA ASP A 126 -3.177 12.898 -38.899 1.00 11.85 C ATOM 1886 C ASP A 126 -2.181 11.947 -38.237 1.00 11.51 C ATOM 1887 O ASP A 126 -0.961 12.099 -38.363 1.00 11.48 O ATOM 1888 CB ASP A 126 -2.498 13.731 -39.997 1.00 12.23 C ATOM 1889 CG ASP A 126 -2.382 12.984 -41.320 1.00 14.15 C ATOM 1890 OD1 ASP A 126 -2.846 11.829 -41.413 1.00 16.28 O ATOM 1891 OD2 ASP A 126 -1.828 13.564 -42.276 1.00 17.59 O ATOM 1892 HA ASP A 126 -3.955 12.286 -39.355 1.00 0.00 H ATOM 1893 HB2 ASP A 126 -3.082 14.637 -40.159 1.00 0.00 H ATOM 1894 HB3 ASP A 126 -1.497 14.001 -39.661 1.00 0.00 H ATOM 1895 H ASP A 126 -3.369 14.709 -37.730 1.00 0.00 H ATOM 1896 N VAL A 127 -2.727 10.972 -37.516 1.00 11.14 N ATOM 1897 CA VAL A 127 -1.935 9.953 -36.829 1.00 11.06 C ATOM 1898 C VAL A 127 -2.684 8.631 -36.911 1.00 10.83 C ATOM 1899 O VAL A 127 -3.914 8.616 -36.953 1.00 10.42 O ATOM 1900 CB VAL A 127 -1.662 10.363 -35.346 1.00 10.80 C ATOM 1901 CG1 VAL A 127 -2.968 10.434 -34.525 1.00 11.40 C ATOM 1902 CG2 VAL A 127 -0.627 9.448 -34.690 1.00 11.68 C ATOM 1903 HA VAL A 127 -0.962 9.851 -37.310 1.00 0.00 H ATOM 1904 HB VAL A 127 -1.238 11.367 -35.360 1.00 0.00 H ATOM 1905 HG11 VAL A 127 -3.635 11.173 -34.969 1.00 0.00 H ATOM 1906 HG12 VAL A 127 -3.452 9.457 -34.529 1.00 0.00 H ATOM 1907 HG13 VAL A 127 -2.736 10.722 -33.500 1.00 0.00 H ATOM 1908 HG21 VAL A 127 -0.992 8.421 -34.702 1.00 0.00 H ATOM 1909 HG22 VAL A 127 0.311 9.508 -35.242 1.00 0.00 H ATOM 1910 HG23 VAL A 127 -0.464 9.765 -33.660 1.00 0.00 H ATOM 1911 H VAL A 127 -3.763 10.933 -37.437 1.00 0.00 H ATOM 1912 N GLN A 128 -1.946 7.526 -36.962 1.00 10.87 N ATOM 1913 CA GLN A 128 -2.568 6.212 -36.964 1.00 10.95 C ATOM 1914 C GLN A 128 -2.261 5.530 -35.642 1.00 11.12 C ATOM 1915 O GLN A 128 -1.198 4.935 -35.451 1.00 11.11 O ATOM 1916 CB GLN A 128 -2.126 5.399 -38.178 1.00 10.82 C ATOM 1917 CG GLN A 128 -2.594 6.047 -39.478 1.00 10.98 C ATOM 1918 CD GLN A 128 -2.429 5.158 -40.688 1.00 10.11 C ATOM 1919 OE1 GLN A 128 -1.314 4.879 -41.116 1.00 10.21 O ATOM 1920 NE2 GLN A 128 -3.546 4.725 -41.258 1.00 12.39 N ATOM 1921 HA GLN A 128 -3.650 6.304 -37.054 1.00 0.00 H ATOM 1922 HB2 GLN A 128 -1.038 5.333 -38.185 1.00 0.00 H ATOM 1923 HB3 GLN A 128 -2.549 4.397 -38.108 1.00 0.00 H ATOM 1924 HG2 GLN A 128 -3.649 6.300 -39.377 1.00 0.00 H ATOM 1925 HG3 GLN A 128 -2.017 6.958 -39.637 1.00 0.00 H ATOM 1926 HE22 GLN A 128 -4.469 4.988 -40.859 1.00 0.00 H ATOM 1927 HE21 GLN A 128 -3.498 4.122 -42.104 1.00 0.00 H ATOM 1928 H GLN A 128 -0.910 7.603 -37.001 1.00 0.00 H ATOM 1929 N LEU A 129 -3.215 5.660 -34.725 1.00 11.19 N ATOM 1930 CA LEU A 129 -3.017 5.276 -33.337 1.00 11.60 C ATOM 1931 C LEU A 129 -2.948 3.766 -33.176 1.00 11.77 C ATOM 1932 O LEU A 129 -3.774 3.036 -33.734 1.00 12.21 O ATOM 1933 CB LEU A 129 -4.137 5.857 -32.468 1.00 11.56 C ATOM 1934 CG LEU A 129 -4.097 5.537 -30.968 1.00 12.54 C ATOM 1935 CD1 LEU A 129 -2.987 6.297 -30.266 1.00 13.41 C ATOM 1936 CD2 LEU A 129 -5.434 5.847 -30.329 1.00 13.39 C ATOM 1937 HA LEU A 129 -2.061 5.683 -33.009 1.00 0.00 H ATOM 1938 HB2 LEU A 129 -4.105 6.941 -32.573 1.00 0.00 H ATOM 1939 HB3 LEU A 129 -5.083 5.483 -32.858 1.00 0.00 H ATOM 1940 HG LEU A 129 -3.890 4.472 -30.860 1.00 0.00 H ATOM 1941 HD21 LEU A 129 -5.662 6.904 -30.462 1.00 0.00 H ATOM 1942 HD22 LEU A 129 -6.210 5.244 -30.802 1.00 0.00 H ATOM 1943 HD23 LEU A 129 -5.389 5.615 -29.265 1.00 0.00 H ATOM 1944 HD11 LEU A 129 -2.027 6.022 -30.703 1.00 0.00 H ATOM 1945 HD12 LEU A 129 -3.149 7.368 -30.386 1.00 0.00 H ATOM 1946 HD13 LEU A 129 -2.990 6.045 -29.206 1.00 0.00 H ATOM 1947 H LEU A 129 -4.136 6.050 -35.011 1.00 0.00 H ATOM 1948 N ASP A 130 -1.942 3.311 -32.433 1.00 11.48 N ATOM 1949 CA ASP A 130 -1.871 1.923 -32.002 1.00 11.32 C ATOM 1950 C ASP A 130 -2.654 1.790 -30.699 1.00 11.08 C ATOM 1951 O ASP A 130 -3.713 1.168 -30.676 1.00 11.22 O ATOM 1952 CB ASP A 130 -0.411 1.488 -31.849 1.00 11.44 C ATOM 1953 CG ASP A 130 -0.254 0.075 -31.306 1.00 12.41 C ATOM 1954 OD1 ASP A 130 -1.263 -0.633 -31.092 1.00 13.21 O ATOM 1955 OD2 ASP A 130 0.907 -0.320 -31.089 1.00 15.17 O ATOM 1956 HA ASP A 130 -2.315 1.263 -32.747 1.00 0.00 H ATOM 1957 HB2 ASP A 130 0.069 1.538 -32.826 1.00 0.00 H ATOM 1958 HB3 ASP A 130 0.085 2.178 -31.166 1.00 0.00 H ATOM 1959 H ASP A 130 -1.185 3.966 -32.152 1.00 0.00 H ATOM 1960 N SER A 131 -2.161 2.398 -29.621 1.00 10.63 N ATOM 1961 CA SER A 131 -2.855 2.305 -28.335 1.00 10.47 C ATOM 1962 C SER A 131 -2.613 3.498 -27.432 1.00 10.49 C ATOM 1963 O SER A 131 -1.596 4.178 -27.540 1.00 10.34 O ATOM 1964 CB SER A 131 -2.433 1.047 -27.577 1.00 10.66 C ATOM 1965 OG SER A 131 -1.074 1.141 -27.191 1.00 10.47 O ATOM 1966 HA SER A 131 -3.916 2.273 -28.584 1.00 0.00 H ATOM 1967 HB2 SER A 131 -2.565 0.177 -28.220 1.00 0.00 H ATOM 1968 HB3 SER A 131 -3.053 0.937 -26.688 1.00 0.00 H ATOM 1969 HG SER A 131 -0.952 1.929 -26.605 1.00 0.00 H ATOM 1970 H SER A 131 -1.278 2.942 -29.693 1.00 0.00 H ATOM 1971 N VAL A 132 -3.575 3.724 -26.545 1.00 10.79 N ATOM 1972 CA VAL A 132 -3.414 4.598 -25.395 1.00 10.99 C ATOM 1973 C VAL A 132 -3.590 3.718 -24.160 1.00 11.29 C ATOM 1974 O VAL A 132 -4.627 3.061 -23.990 1.00 11.01 O ATOM 1975 CB VAL A 132 -4.453 5.744 -25.380 1.00 11.00 C ATOM 1976 CG1 VAL A 132 -4.305 6.591 -24.109 1.00 11.68 C ATOM 1977 CG2 VAL A 132 -4.311 6.614 -26.618 1.00 10.88 C ATOM 1978 HA VAL A 132 -2.434 5.075 -25.425 1.00 0.00 H ATOM 1979 HB VAL A 132 -5.449 5.301 -25.385 1.00 0.00 H ATOM 1980 HG11 VAL A 132 -4.461 5.961 -23.234 1.00 0.00 H ATOM 1981 HG12 VAL A 132 -3.304 7.021 -24.075 1.00 0.00 H ATOM 1982 HG13 VAL A 132 -5.045 7.391 -24.119 1.00 0.00 H ATOM 1983 HG21 VAL A 132 -3.310 7.045 -26.645 1.00 0.00 H ATOM 1984 HG22 VAL A 132 -4.470 6.005 -27.508 1.00 0.00 H ATOM 1985 HG23 VAL A 132 -5.052 7.413 -26.586 1.00 0.00 H ATOM 1986 H VAL A 132 -4.491 3.251 -26.680 1.00 0.00 H ATOM 1987 N ARG A 133 -2.565 3.689 -23.315 1.00 11.52 N ATOM 1988 CA ARG A 133 -2.642 2.962 -22.051 1.00 12.38 C ATOM 1989 C ARG A 133 -2.426 3.910 -20.882 1.00 12.50 C ATOM 1990 O ARG A 133 -1.615 4.834 -20.962 1.00 12.28 O ATOM 1991 CB ARG A 133 -1.625 1.816 -21.998 1.00 12.90 C ATOM 1992 CG ARG A 133 -1.845 0.712 -23.026 1.00 14.29 C ATOM 1993 CD ARG A 133 -3.099 -0.107 -22.743 1.00 16.46 C ATOM 1994 NE ARG A 133 -3.285 -1.167 -23.734 1.00 19.19 N ATOM 1995 CZ ARG A 133 -4.171 -1.132 -24.726 1.00 20.23 C ATOM 1996 NH1 ARG A 133 -4.974 -0.085 -24.877 1.00 21.09 N ATOM 1997 NH2 ARG A 133 -4.256 -2.154 -25.573 1.00 20.83 N ATOM 1998 HA ARG A 133 -3.639 2.528 -21.979 1.00 0.00 H ATOM 1999 HB2 ARG A 133 -0.632 2.236 -22.160 1.00 0.00 H ATOM 2000 HB3 ARG A 133 -1.671 1.368 -21.005 1.00 0.00 H ATOM 2001 HG2 ARG A 133 -1.939 1.166 -24.012 1.00 0.00 H ATOM 2002 HG3 ARG A 133 -0.982 0.046 -23.014 1.00 0.00 H ATOM 2003 HD2 ARG A 133 -3.966 0.554 -22.764 1.00 0.00 H ATOM 2004 HD3 ARG A 133 -3.012 -0.558 -21.754 1.00 0.00 H ATOM 2005 HE ARG A 133 -2.680 -2.010 -23.657 1.00 0.00 H ATOM 2006 HH12 ARG A 133 -5.663 -0.066 -25.655 1.00 0.00 H ATOM 2007 HH11 ARG A 133 -4.913 0.716 -24.217 1.00 0.00 H ATOM 2008 HH22 ARG A 133 -4.947 -2.130 -26.349 1.00 0.00 H ATOM 2009 HH21 ARG A 133 -3.631 -2.977 -25.459 1.00 0.00 H ATOM 2010 H ARG A 133 -1.690 4.195 -23.559 1.00 0.00 H ATOM 2011 N ILE A 134 -3.167 3.664 -19.805 1.00 12.73 N ATOM 2012 CA ILE A 134 -3.100 4.460 -18.584 1.00 13.27 C ATOM 2013 C ILE A 134 -2.488 3.589 -17.485 1.00 13.36 C ATOM 2014 O ILE A 134 -3.050 2.549 -17.121 1.00 13.96 O ATOM 2015 CB ILE A 134 -4.513 4.926 -18.155 1.00 13.59 C ATOM 2016 CG1 ILE A 134 -5.194 5.683 -19.298 1.00 14.14 C ATOM 2017 CG2 ILE A 134 -4.447 5.770 -16.870 1.00 13.57 C ATOM 2018 CD1 ILE A 134 -6.701 5.440 -19.390 1.00 16.86 C ATOM 2019 HA ILE A 134 -2.491 5.347 -18.757 1.00 0.00 H ATOM 2020 HB ILE A 134 -5.118 4.047 -17.932 1.00 0.00 H ATOM 2021 HG12 ILE A 134 -5.026 6.750 -19.151 1.00 0.00 H ATOM 2022 HG13 ILE A 134 -4.738 5.370 -20.237 1.00 0.00 H ATOM 2023 HD11 ILE A 134 -6.887 4.378 -19.549 1.00 0.00 H ATOM 2024 HD12 ILE A 134 -7.176 5.759 -18.462 1.00 0.00 H ATOM 2025 HD13 ILE A 134 -7.110 6.011 -20.224 1.00 0.00 H ATOM 2026 HG21 ILE A 134 -4.016 5.173 -16.067 1.00 0.00 H ATOM 2027 HG22 ILE A 134 -3.826 6.649 -17.045 1.00 0.00 H ATOM 2028 HG23 ILE A 134 -5.453 6.084 -16.591 1.00 0.00 H ATOM 2029 H ILE A 134 -3.829 2.862 -19.835 1.00 0.00 H ATOM 2030 N PHE A 135 -1.340 4.021 -16.968 1.00 13.39 N ATOM 2031 CA PHE A 135 -0.625 3.287 -15.916 1.00 13.77 C ATOM 2032 C PHE A 135 -0.473 4.103 -14.634 1.00 14.15 C ATOM 2033 O PHE A 135 -0.632 5.326 -14.627 1.00 14.16 O ATOM 2034 CB PHE A 135 0.754 2.844 -16.403 1.00 13.84 C ATOM 2035 CG PHE A 135 0.718 1.878 -17.553 1.00 13.97 C ATOM 2036 CD1 PHE A 135 0.118 0.626 -17.417 1.00 14.17 C ATOM 2037 CD2 PHE A 135 1.316 2.209 -18.763 1.00 14.21 C ATOM 2038 CE1 PHE A 135 0.102 -0.270 -18.486 1.00 14.66 C ATOM 2039 CE2 PHE A 135 1.300 1.324 -19.836 1.00 14.34 C ATOM 2040 CZ PHE A 135 0.695 0.084 -19.695 1.00 13.89 C ATOM 2041 HA PHE A 135 -1.231 2.411 -15.686 1.00 0.00 H ATOM 2042 OXT PHE A 135 -0.175 3.548 -13.568 1.00 14.70 O ATOM 2043 HB2 PHE A 135 1.307 3.729 -16.717 1.00 0.00 H ATOM 2044 HB3 PHE A 135 1.274 2.368 -15.572 1.00 0.00 H ATOM 2045 HD2 PHE A 135 1.805 3.177 -18.873 1.00 0.00 H ATOM 2046 HE2 PHE A 135 1.761 1.604 -20.783 1.00 0.00 H ATOM 2047 HZ PHE A 135 0.684 -0.614 -20.532 1.00 0.00 H ATOM 2048 HE1 PHE A 135 -0.373 -1.245 -18.375 1.00 0.00 H ATOM 2049 HD1 PHE A 135 -0.341 0.346 -16.469 1.00 0.00 H ATOM 2050 H PHE A 135 -0.935 4.911 -17.322 1.00 0.00 H TER 2051 PHE A 135 HETATM 2052 O HOH 1 -10.353 24.121 -31.736 1.00 33.26 O HETATM 2053 O HOH 2 -9.471 26.623 -32.007 1.00 36.02 O HETATM 2054 O HOH 3 -3.450 21.473 -34.292 1.00 14.90 O HETATM 2055 O HOH 4 -3.710 23.088 -36.384 1.00 17.43 O HETATM 2056 O HOH 5 -5.411 21.248 -38.082 1.00 27.10 O HETATM 2057 O HOH 6 -8.988 -0.368 -24.705 1.00 37.00 O HETATM 2058 O HOH 7 -11.838 5.139 -31.748 1.00 37.65 O HETATM 2059 O HOH 8 -19.862 12.670 -29.471 1.00 38.57 O HETATM 2060 O HOH 9 -8.460 2.930 -21.208 1.00 34.43 O HETATM 2061 O HOH 10 -15.031 4.022 -21.781 1.00 37.49 O HETATM 2062 O HOH 11 -11.764 2.474 -18.080 1.00 37.56 O HETATM 2063 O HOH 12 -7.353 4.589 -14.375 1.00 31.54 O HETATM 2064 O HOH 13 -17.076 9.149 -13.160 1.00 34.49 O HETATM 2065 O HOH 14 -15.862 7.983 -29.627 1.00 37.44 O HETATM 2066 O HOH 15 1.563 6.773 -52.451 1.00 39.65 O HETATM 2067 O HOH 16 -13.183 7.324 -34.378 1.00 36.54 O HETATM 2068 O HOH 17 -9.684 7.556 -34.757 1.00 32.63 O HETATM 2069 O HOH 18 -7.234 8.187 -26.131 1.00 21.02 O HETATM 2070 O HOH 19 -8.266 2.107 -25.498 1.00 25.90 O HETATM 2071 O HOH 20 -4.734 16.509 -7.941 1.00 19.30 O HETATM 2072 O HOH 21 -6.670 15.808 -5.873 1.00 23.89 O HETATM 2073 O HOH 22 -12.575 6.252 -29.153 1.00 20.18 O HETATM 2074 O HOH 23 -18.659 13.829 -27.342 1.00 37.71 O HETATM 2075 O HOH 24 -16.266 13.151 -25.694 1.00 35.30 O HETATM 2076 O HOH 25 -14.255 15.516 -27.036 1.00 41.82 O HETATM 2077 O HOH 26 -5.171 5.294 -13.267 1.00 39.90 O HETATM 2078 O HOH 27 -7.278 3.702 -23.552 1.00 27.64 O HETATM 2079 O HOH 28 16.099 17.149 -38.953 1.00 40.25 O HETATM 2080 O HOH 29 -12.459 4.718 -22.394 1.00 29.79 O HETATM 2081 O HOH 30 -10.607 4.062 -19.966 1.00 43.80 O HETATM 2082 O HOH 31 -14.501 10.750 -18.817 1.00 35.15 O HETATM 2083 O HOH 32 0.639 7.091 -48.540 1.00 25.17 O HETATM 2084 O HOH 33 8.367 12.732 -46.281 1.00 41.55 O HETATM 2085 O HOH 34 -5.852 16.610 -42.689 1.00 46.69 O HETATM 2086 O HOH 35 -8.050 7.188 -14.679 1.00 17.76 O HETATM 2087 O HOH 36 -14.831 8.464 -11.849 1.00 29.61 O HETATM 2088 O HOH 37 -3.880 21.027 -40.322 1.00 40.68 O HETATM 2089 O HOH 38 -8.122 14.226 -12.916 1.00 13.61 O HETATM 2090 O HOH 39 -5.947 14.720 -9.672 1.00 23.22 O HETATM 2091 O HOH 40 -21.881 23.236 -24.054 1.00 27.29 O HETATM 2092 O HOH 41 -1.335 8.144 -9.740 1.00 34.27 O HETATM 2093 O HOH 42 -0.311 10.288 -6.412 1.00 18.52 O HETATM 2094 O HOH 43 0.846 5.164 -11.592 1.00 17.99 O HETATM 2095 O HOH 44 -2.765 6.061 -12.965 1.00 22.55 O HETATM 2096 O HOH 45 0.347 2.630 -25.561 1.00 14.73 O HETATM 2097 O HOH 46 7.498 2.241 -22.253 1.00 23.35 O HETATM 2098 O HOH 47 6.269 -1.591 -19.987 1.00 33.52 O HETATM 2099 O HOH 48 5.838 -2.804 -23.377 1.00 34.43 O HETATM 2100 O HOH 49 13.217 17.144 -37.312 1.00 37.46 O HETATM 2101 O HOH 50 -3.008 30.181 -19.783 1.00 17.27 O HETATM 2102 O HOH 51 0.408 -0.905 -28.180 1.00 28.70 O HETATM 2103 O HOH 52 1.758 30.898 -20.244 1.00 21.30 O HETATM 2104 O HOH 53 7.753 29.366 -23.523 1.00 30.93 O HETATM 2105 O HOH 54 7.316 26.658 -17.316 1.00 30.56 O HETATM 2106 O HOH 55 2.662 27.987 -17.026 1.00 15.98 O HETATM 2107 O HOH 56 7.950 28.651 -21.032 1.00 36.91 O HETATM 2108 O HOH 57 5.500 28.478 -16.634 1.00 36.71 O HETATM 2109 O HOH 58 12.535 9.723 -31.055 1.00 28.76 O HETATM 2110 O HOH 59 -0.346 9.009 -46.043 1.00 31.35 O HETATM 2111 O HOH 60 -1.109 12.161 -44.603 1.00 33.43 O HETATM 2112 O HOH 61 6.266 11.055 -46.061 1.00 23.20 O HETATM 2113 O HOH 62 1.314 17.820 -44.719 1.00 28.78 O HETATM 2114 O HOH 63 6.241 10.025 -48.569 1.00 32.52 O HETATM 2115 O HOH 64 -0.396 11.287 -48.719 1.00 42.79 O HETATM 2116 O HOH 65 11.043 5.339 -30.594 1.00 27.54 O HETATM 2117 O HOH 66 -3.322 15.851 -43.364 1.00 33.60 O HETATM 2118 O HOH 67 -4.926 18.251 -37.379 1.00 22.76 O HETATM 2119 O HOH 68 -1.700 22.378 -41.213 1.00 25.47 O HETATM 2120 O HOH 69 12.685 15.325 -15.552 1.00 38.80 O HETATM 2121 O HOH 70 17.579 9.603 -27.124 1.00 36.59 O HETATM 2122 O HOH 71 -3.584 18.787 -34.852 1.00 13.44 O HETATM 2123 O HOH 72 -9.454 15.969 -31.700 1.00 34.20 O HETATM 2124 O HOH 73 -7.425 19.868 -30.645 1.00 25.40 O HETATM 2125 O HOH 74 11.319 22.601 -16.595 1.00 40.51 O HETATM 2126 O HOH 75 -10.806 19.204 -28.117 1.00 42.28 O HETATM 2127 O HOH 76 -9.788 16.905 -28.606 1.00 35.58 O HETATM 2128 O HOH 77 -1.745 30.068 -17.438 1.00 29.13 O HETATM 2129 O HOH 78 -11.409 16.306 -7.090 1.00 25.87 O HETATM 2130 O HOH 79 -10.203 25.542 -12.050 1.00 33.33 O HETATM 2131 O HOH 80 -9.231 14.736 -6.635 1.00 23.80 O HETATM 2132 O HOH 81 -16.499 17.802 -16.763 1.00 25.28 O HETATM 2133 O HOH 82 -13.709 18.171 -14.547 1.00 23.96 O HETATM 2134 O HOH 83 -14.381 17.118 -24.883 1.00 30.52 O HETATM 2135 O HOH 84 -18.601 12.784 -18.704 1.00 30.02 O HETATM 2136 O HOH 85 -16.956 20.447 -20.014 1.00 41.30 O HETATM 2137 O HOH 86 -23.161 18.656 -20.142 1.00 19.41 O HETATM 2138 O HOH 87 -7.917 2.301 -31.422 1.00 41.80 O HETATM 2139 O HOH 88 -7.919 4.359 -33.352 1.00 48.77 O HETATM 2140 O HOH 89 -18.588 22.906 -24.565 1.00 34.93 O HETATM 2141 O HOH 90 -20.082 22.119 -34.455 1.00 38.38 O HETATM 2142 O HOH 91 -14.008 19.721 -29.800 1.00 43.14 O HETATM 2143 O HOH 92 -13.507 18.997 -27.341 1.00 31.88 O HETATM 2144 O HOH 93 -12.572 25.497 -23.499 1.00 19.60 O HETATM 2145 O HOH 94 -12.057 21.128 -26.491 1.00 21.95 O HETATM 2146 O HOH 95 -14.612 22.657 -19.694 1.00 19.88 O HETATM 2147 O HOH 96 -15.482 25.383 -20.856 1.00 40.39 O HETATM 2148 O HOH 97 -10.691 26.788 -16.833 1.00 34.02 O HETATM 2149 O HOH 98 -2.731 22.391 -17.288 1.00 10.34 O HETATM 2150 O HOH 99 3.617 25.649 -36.497 1.00 10.67 O HETATM 2151 O HOH 100 0.609 28.489 -33.835 1.00 13.27 O HETATM 2152 O HOH 101 8.259 16.419 -41.190 1.00 31.21 O HETATM 2153 O HOH 102 9.047 17.732 -38.936 1.00 26.03 O HETATM 2154 O HOH 103 5.809 21.602 -45.230 1.00 35.78 O HETATM 2155 O HOH 104 8.988 22.355 -41.984 1.00 39.92 O HETATM 2156 O HOH 105 0.007 20.580 -44.081 1.00 30.25 O HETATM 2157 O HOH 106 10.762 24.750 -40.346 1.00 34.15 O HETATM 2158 O HOH 107 7.811 26.050 -40.486 1.00 36.32 O HETATM 2159 O HOH 108 10.518 24.954 -37.636 1.00 40.97 O HETATM 2160 O HOH 109 11.193 22.301 -33.511 1.00 29.98 O HETATM 2161 O HOH 110 12.766 19.779 -39.776 1.00 37.60 O HETATM 2162 O HOH 111 9.098 22.710 -31.572 1.00 18.25 O HETATM 2163 O HOH 112 -5.205 28.469 -20.428 1.00 15.39 O HETATM 2164 O HOH 113 -13.527 25.225 -28.000 1.00 37.71 O HETATM 2165 O HOH 114 -9.178 21.737 -29.524 1.00 33.84 O HETATM 2166 O HOH 115 -6.759 30.108 -21.943 1.00 20.57 O HETATM 2167 O HOH 116 -8.773 31.842 -20.636 1.00 32.71 O HETATM 2168 O HOH 117 -6.926 27.556 -14.610 1.00 27.66 O HETATM 2169 O HOH 118 -12.674 32.837 -23.032 1.00 28.45 O HETATM 2170 O HOH 119 -10.236 31.374 -17.238 1.00 43.75 O HETATM 2171 O HOH 120 -10.439 34.216 -26.961 1.00 18.81 O HETATM 2172 O HOH 121 -6.669 33.274 -23.887 1.00 19.01 O HETATM 2173 O HOH 122 -0.879 31.222 -21.165 1.00 13.80 O HETATM 2174 O HOH 123 6.041 32.687 -25.709 1.00 37.60 O HETATM 2175 O HOH 124 5.943 29.123 -28.348 1.00 20.15 O HETATM 2176 O HOH 125 5.416 30.544 -24.178 1.00 26.09 O HETATM 2177 O HOH 126 6.038 24.803 -18.759 1.00 11.73 O HETATM 2178 O HOH 127 2.603 25.905 -18.586 1.00 11.24 O HETATM 2179 O HOH 128 4.397 29.055 -20.421 1.00 25.22 O HETATM 2180 O HOH 129 8.488 27.466 -25.354 1.00 26.78 O HETATM 2181 O HOH 130 11.593 25.368 -29.552 1.00 36.50 O HETATM 2182 O HOH 131 12.193 24.250 -26.290 1.00 30.33 O HETATM 2183 O HOH 132 13.820 16.469 -30.109 1.00 29.64 O HETATM 2184 O HOH 133 14.886 17.229 -27.682 1.00 26.15 O HETATM 2185 O HOH 134 13.984 18.152 -34.932 1.00 33.40 O HETATM 2186 O HOH 135 13.162 13.790 -35.867 1.00 25.22 O HETATM 2187 O HOH 136 14.587 15.776 -32.628 1.00 22.09 O HETATM 2188 O HOH 137 9.949 9.307 -31.798 1.00 15.67 O HETATM 2189 O HOH 138 9.786 15.239 -39.053 1.00 35.61 O HETATM 2190 O HOH 139 7.436 9.354 -35.532 1.00 12.13 O HETATM 2191 O HOH 140 11.912 7.301 -34.903 1.00 46.97 O HETATM 2192 O HOH 141 9.484 8.062 -34.095 1.00 16.43 O HETATM 2193 O HOH 142 13.567 11.219 -33.155 1.00 32.52 O HETATM 2194 O HOH 143 8.959 13.774 -41.192 1.00 20.50 O HETATM 2195 O HOH 144 7.713 8.986 -45.025 1.00 24.80 O HETATM 2196 O HOH 145 11.125 6.808 -41.714 1.00 50.97 O HETATM 2197 O HOH 146 4.563 19.247 -45.477 1.00 31.38 O HETATM 2198 O HOH 147 8.918 14.917 -44.914 1.00 39.40 O HETATM 2199 O HOH 148 10.619 1.872 -38.687 1.00 39.44 O HETATM 2200 O HOH 149 11.953 4.803 -35.889 1.00 30.07 O HETATM 2201 O HOH 150 10.517 4.333 -33.649 1.00 36.25 O HETATM 2202 O HOH 151 9.221 7.336 -30.024 1.00 14.74 O HETATM 2203 O HOH 152 8.745 6.857 -24.407 1.00 28.09 O HETATM 2204 O HOH 153 10.325 3.877 -26.261 1.00 23.79 O HETATM 2205 O HOH 154 8.882 4.428 -22.707 1.00 28.73 O HETATM 2206 O HOH 155 6.590 17.695 -9.029 1.00 26.87 O HETATM 2207 O HOH 156 5.538 15.380 -8.057 1.00 16.01 O HETATM 2208 O HOH 157 -0.945 18.534 -9.191 1.00 16.68 O HETATM 2209 O HOH 158 3.752 21.311 -7.113 1.00 38.70 O HETATM 2210 O HOH 159 0.812 22.398 -9.040 1.00 27.90 O HETATM 2211 O HOH 160 1.744 14.344 -4.886 1.00 29.68 O HETATM 2212 O HOH 161 0.421 18.828 -4.794 1.00 21.31 O HETATM 2213 O HOH 162 2.957 23.663 -10.835 1.00 20.60 O HETATM 2214 O HOH 163 6.772 19.401 -6.711 1.00 29.49 O HETATM 2215 O HOH 164 8.038 13.780 -10.951 1.00 26.48 O HETATM 2216 O HOH 165 11.324 14.443 -12.739 1.00 39.88 O HETATM 2217 O HOH 166 11.769 11.742 -11.849 1.00 25.67 O HETATM 2218 O HOH 167 14.847 8.859 -27.903 1.00 27.10 O HETATM 2219 O HOH 168 13.326 11.239 -28.912 1.00 25.25 O HETATM 2220 O HOH 169 12.620 13.084 -26.988 1.00 20.68 O HETATM 2221 O HOH 170 12.589 4.271 -28.740 1.00 37.77 O HETATM 2222 O HOH 171 14.375 15.009 -26.155 1.00 18.54 O HETATM 2223 O HOH 172 12.183 12.958 -17.190 1.00 20.09 O HETATM 2224 O HOH 173 11.125 17.491 -16.078 1.00 29.48 O HETATM 2225 O HOH 174 12.009 21.085 -23.253 1.00 20.20 O HETATM 2226 O HOH 175 11.344 21.454 -20.558 1.00 23.85 O HETATM 2227 O HOH 176 9.737 23.535 -19.587 1.00 36.12 O HETATM 2228 O HOH 177 8.007 23.911 -16.710 1.00 34.24 O HETATM 2229 O HOH 178 2.104 28.100 -11.629 1.00 31.05 O HETATM 2230 O HOH 179 1.243 25.505 -11.714 1.00 18.47 O HETATM 2231 O HOH 180 1.056 27.875 -14.738 1.00 18.13 O HETATM 2232 O HOH 181 -3.004 20.270 -15.552 1.00 11.81 O HETATM 2233 O HOH 182 -3.211 29.147 -15.180 1.00 28.11 O HETATM 2234 O HOH 183 1.145 30.295 -17.658 1.00 23.28 O HETATM 2235 O HOH 184 -2.881 20.219 -9.897 1.00 12.37 O HETATM 2236 O HOH 185 -5.228 18.966 -8.928 1.00 13.91 O HETATM 2237 O HOH 186 -11.886 14.910 -9.291 1.00 33.13 O HETATM 2238 O HOH 187 -9.786 13.771 -10.704 1.00 29.70 O HETATM 2239 O HOH 188 -14.503 21.875 -12.542 1.00 33.86 O HETATM 2240 O HOH 189 -9.497 25.704 -14.518 1.00 33.71 O HETATM 2241 O HOH 190 -6.780 9.137 -33.476 1.00 33.78 O HETATM 2242 O HOH 191 -9.114 13.818 -35.782 1.00 31.87 O HETATM 2243 O HOH 192 -4.305 9.714 -40.809 1.00 33.53 O HETATM 2244 O HOH 193 -5.833 8.571 -38.962 1.00 35.18 O HETATM 2245 O HOH 194 -5.770 6.688 -35.528 1.00 27.51 O HETATM 2246 O HOH 195 -6.122 5.567 -40.047 1.00 28.99 O HETATM 2247 O HOH 196 -6.168 2.726 -34.506 1.00 33.62 O HETATM 2248 O HOH 197 -5.691 1.242 -32.389 1.00 44.44 O HETATM 2249 O HOH 198 -6.195 1.226 -29.711 1.00 21.64 O HETATM 2250 O HOH 199 -5.883 2.020 -26.888 1.00 15.24 O HETATM 2251 O HOH 200 -7.009 -1.557 -26.428 1.00 31.89 O HETATM 2252 O HOH 201 -5.347 1.590 -20.033 1.00 17.30 O HETATM 2253 O HOH 202 -3.238 0.084 -18.275 1.00 31.33 O HETATM 2254 O HOH 203 -0.873 0.922 -13.560 1.00 21.47 O HETATM 2255 O1B PGZ A 204 -7.817 23.895 -32.687 1.00 -0.39 O HETATM 2256 C1B PGZ A 204 -6.985 23.156 -33.201 1.00 0.20 C HETATM 2257 C5B PGZ A 204 -7.462 21.859 -33.800 1.00 0.04 C HETATM 2258 C6B PGZ A 204 -8.697 21.310 -33.428 1.00 -0.05 C HETATM 2259 C7B PGZ A 204 -9.131 20.110 -33.998 1.00 -0.05 C HETATM 2260 C2B PGZ A 204 -8.334 19.461 -34.943 1.00 -0.04 C HETATM 2261 C8B PGZ A 204 -8.788 18.162 -35.573 1.00 -0.03 C HETATM 2262 H PGZ A 204 -8.928 17.412 -34.795 1.00 0.04 H HETATM 2263 H PGZ A 204 -9.730 18.324 -36.097 1.00 0.04 H HETATM 2264 H PGZ A 204 -8.032 17.818 -36.279 1.00 0.04 H HETATM 2265 C3B PGZ A 204 -7.108 20.008 -35.316 1.00 -0.05 C HETATM 2266 C4B PGZ A 204 -6.674 21.203 -34.746 1.00 -0.05 C HETATM 2267 H PGZ A 204 -5.714 21.627 -35.041 1.00 0.07 H HETATM 2268 H PGZ A 204 -6.488 19.500 -36.055 1.00 0.06 H HETATM 2269 H PGZ A 204 -10.090 19.682 -33.705 1.00 0.06 H HETATM 2270 H PGZ A 204 -9.320 21.820 -32.693 1.00 0.07 H HETATM 2271 N1B PGZ A 204 -5.687 23.487 -33.251 1.00 -0.28 N HETATM 2272 C3A PGZ A 204 -5.217 24.751 -32.680 1.00 0.10 C HETATM 2273 C4A PGZ A 204 -4.097 24.449 -31.680 1.00 0.11 C HETATM 2274 O4A PGZ A 204 -3.054 23.637 -32.243 1.00 -0.39 O HETATM 2275 H PGZ A 204 -3.423 22.800 -32.533 1.00 0.21 H HETATM 2276 C2D PGZ A 204 -3.485 25.776 -31.261 1.00 0.11 C HETATM 2277 C6A PGZ A 204 -2.408 25.582 -30.211 1.00 0.07 C HETATM 2278 O6A PGZ A 204 -2.108 26.874 -29.695 1.00 -0.39 O HETATM 2279 H PGZ A 204 -1.796 27.437 -30.407 1.00 0.21 H HETATM 2280 H PGZ A 204 -1.521 25.119 -30.643 1.00 0.06 H HETATM 2281 H PGZ A 204 -2.751 24.916 -29.419 1.00 0.06 H HETATM 2282 O5A PGZ A 204 -2.930 26.405 -32.426 1.00 -0.35 O HETATM 2283 C1A PGZ A 204 -3.974 26.855 -33.292 1.00 0.14 C HETATM 2284 S1D PGZ A 204 -3.292 27.893 -34.558 1.00 -0.13 S HETATM 2285 C1D PGZ A 204 -2.413 26.941 -35.758 1.00 -0.02 C HETATM 2286 H PGZ A 204 -1.599 26.406 -35.270 1.00 0.03 H HETATM 2287 H PGZ A 204 -3.093 26.226 -36.222 1.00 0.03 H HETATM 2288 H PGZ A 204 -2.007 27.606 -36.521 1.00 0.03 H HETATM 2289 C2A PGZ A 204 -4.753 25.649 -33.836 1.00 0.15 C HETATM 2290 O4P PGZ A 204 -5.912 26.123 -34.517 1.00 -0.24 O HETATM 2291 P PGZ A 204 -6.153 25.977 -36.105 1.00 0.26 P HETATM 2292 O3P PGZ A 204 -7.646 25.787 -36.298 1.00 -0.62 O HETATM 2293 O2P PGZ A 204 -5.170 25.011 -36.723 1.00 -0.62 O HETATM 2294 O1P PGZ A 204 -5.844 27.468 -36.656 1.00 -0.24 O HETATM 2295 C1C PGZ A 204 -5.542 27.709 -38.034 1.00 0.12 C HETATM 2296 C5C PGZ A 204 -6.778 28.122 -38.806 1.00 -0.01 C HETATM 2297 C6C PGZ A 204 -7.701 29.020 -38.258 1.00 -0.06 C HETATM 2298 C7C PGZ A 204 -8.832 29.389 -38.991 1.00 -0.07 C HETATM 2299 C2C PGZ A 204 -9.039 28.863 -40.271 1.00 -0.07 C HETATM 2300 C3C PGZ A 204 -8.116 27.969 -40.821 1.00 -0.07 C HETATM 2301 C4C PGZ A 204 -6.986 27.599 -40.086 1.00 -0.06 C HETATM 2302 H PGZ A 204 -6.265 26.901 -40.512 1.00 0.06 H HETATM 2303 H PGZ A 204 -8.277 27.562 -41.819 1.00 0.06 H HETATM 2304 H PGZ A 204 -9.922 29.151 -40.841 1.00 0.06 H HETATM 2305 H PGZ A 204 -9.553 30.087 -38.566 1.00 0.06 H HETATM 2306 H PGZ A 204 -7.538 29.431 -37.262 1.00 0.06 H HETATM 2307 H PGZ A 204 -5.153 26.788 -38.469 1.00 0.08 H HETATM 2308 H PGZ A 204 -4.811 28.516 -38.093 1.00 0.08 H HETATM 2309 H PGZ A 204 -4.106 25.082 -34.505 1.00 0.07 H HETATM 2310 H PGZ A 204 -4.693 27.465 -32.745 1.00 0.07 H HETATM 2311 H PGZ A 204 -4.260 26.404 -30.820 1.00 0.06 H HETATM 2312 H PGZ A 204 -4.529 23.900 -30.843 1.00 0.06 H HETATM 2313 H PGZ A 204 -6.004 25.276 -32.139 1.00 0.06 H HETATM 2314 H PGZ A 204 -5.020 22.852 -33.691 1.00 0.18 H CONECT 2255 2256 CONECT 2256 2255 2257 2271 CONECT 2257 2256 2258 2266 CONECT 2258 2257 2259 2270 CONECT 2259 2258 2260 2269 CONECT 2260 2259 2261 2265 CONECT 2261 2260 2262 2263 2264 CONECT 2262 2261 CONECT 2263 2261 CONECT 2264 2261 CONECT 2265 2260 2266 2268 CONECT 2266 2257 2265 2267 CONECT 2267 2266 CONECT 2268 2265 CONECT 2269 2259 CONECT 2270 2258 CONECT 2271 2256 2272 2314 CONECT 2272 2271 2273 2289 2313 CONECT 2273 2272 2274 2276 2312 CONECT 2274 2273 2275 CONECT 2275 2274 CONECT 2276 2273 2277 2282 2311 CONECT 2277 2276 2278 2280 2281 CONECT 2278 2277 2279 CONECT 2279 2278 CONECT 2280 2277 CONECT 2281 2277 CONECT 2282 2276 2283 CONECT 2283 2282 2284 2289 2310 CONECT 2284 2283 2285 CONECT 2285 2284 2286 2287 2288 CONECT 2286 2285 CONECT 2287 2285 CONECT 2288 2285 CONECT 2289 2272 2283 2290 2309 CONECT 2290 2289 2291 CONECT 2291 2290 2292 2293 2294 CONECT 2292 2291 CONECT 2293 2291 CONECT 2294 2291 2295 CONECT 2295 2294 2296 2307 2308 CONECT 2296 2295 2297 2301 CONECT 2297 2296 2298 2306 CONECT 2298 2297 2299 2305 CONECT 2299 2298 2300 2304 CONECT 2300 2299 2301 2303 CONECT 2301 2296 2300 2302 CONECT 2302 2301 CONECT 2303 2300 CONECT 2304 2299 CONECT 2305 2298 CONECT 2306 2297 CONECT 2307 2295 CONECT 2308 2295 CONECT 2309 2289 CONECT 2310 2283 CONECT 2311 2276 CONECT 2312 2273 CONECT 2313 2272 CONECT 2314 2271 MASTER 0 0 0 0 0 0 0 0 2313 1 60 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3zxe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5h9q
RCSB PDB
PDBbind
155aa, >5H9Q_1|Chains... *
5h9s
RCSB PDB
PDBbind
155aa, >5H9S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3zxe
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Galectin-7
Ligand Name
PGZ
EC.Number
E.C.-.-.-.-
Resolution
1.67(Å)
Affinity (Kd/Ki/IC50)
Kd=450uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) FEBS J. Vol. 279: pp. 193
Ligand Properties
Formula
C
2
2
H
2
9
NO
8
PS
Molecular Weight
498.506
Exact Mass
498.135
No. of atoms
62
No. of bonds
64
Polar Surface Area
176.6
LOGP Value
1.62 (
Computed with XLOGP3
)
2.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
CS[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1OP(OCc1ccccc1)(O)O)NC(=O)c1ccc(cc1)C)O
InChI String
InChI=1S/C22H30NO8PS/c1-14-8-10-16(11-9-14)21(26)23-18-19(25)17(12-24)30-22(33-2)20(18)31-32(27,28)29-13-15-6-4-3-5-7-15/h3-11,17-20,22,24-25,27-28,32H,12-13H2,1-2H3,(H,23,26)/t17-,18+,19+,20-,22+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P47929
Entrez Gene ID
NCBI Entrez Gene ID:
3963
653499
ASD
Information of known allosteric effects of PDB entries
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