Browse entries in the PDBbind-CN Database
HEADER 4POP_COMPLEX COMPND 4POP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 177 PHE ASN VAL ARG LEU LEU THR GLU ILE ALA PHE MET ALA SEQRES 2 A 177 ALA LEU ALA PHE ILE ILE SER LEU ILE PRO ASN THR VAL SEQRES 3 A 177 TYR GLY TRP ILE ILE VAL GLU ILE ALA CYS ILE PRO ILE SEQRES 4 A 177 LEU LEU LEU SER LEU ARG ARG GLY LEU THR ALA GLY LEU SEQRES 5 A 177 VAL GLY GLY LEU ILE TRP GLY ILE LEU SER MET ILE THR SEQRES 6 A 177 GLY HIS ALA TYR ILE LEU SER LEU SER GLN ALA PHE LEU SEQRES 7 A 177 GLU TYR LEU VAL ALA PRO VAL SER LEU GLY ILE ALA GLY SEQRES 8 A 177 LEU PHE ARG GLN LYS THR ALA PRO LEU LYS LEU ALA PRO SEQRES 9 A 177 VAL LEU LEU GLY THR PHE VAL ALA VAL LEU LEU LYS TYR SEQRES 10 A 177 PHE PHE HIS PHE ILE ALA GLY ILE ILE PHE TRP SER GLN SEQRES 11 A 177 TYR ALA TRP LYS GLY TRP GLY ALA VAL ALA TYR SER LEU SEQRES 12 A 177 ALA VAL ASN GLY ILE SER GLY ILE LEU THR ALA ILE ALA SEQRES 13 A 177 ALA PHE VAL ILE LEU ILE ILE PHE VAL LYS LYS PHE PRO SEQRES 14 A 177 LYS LEU PHE ILE HIS SER ASN TYR HET UNN A 221 32 ATOM 1 N PHE A 6 31.504 -23.756 56.122 1.00 89.51 N ATOM 2 CA PHE A 6 31.234 -23.428 57.513 1.00 91.00 C ATOM 3 C PHE A 6 30.369 -22.183 57.636 1.00109.20 C ATOM 4 O PHE A 6 30.431 -21.256 56.801 1.00 64.70 O ATOM 5 CB PHE A 6 32.530 -23.222 58.290 1.00 91.80 C ATOM 6 CG PHE A 6 32.497 -23.790 59.693 1.00119.29 C ATOM 7 CD1 PHE A 6 31.292 -24.110 60.304 1.00126.14 C ATOM 8 CD2 PHE A 6 33.670 -23.998 60.398 1.00101.41 C ATOM 9 CE1 PHE A 6 31.259 -24.620 61.580 1.00112.39 C ATOM 10 CE2 PHE A 6 33.640 -24.500 61.673 1.00116.39 C ATOM 11 CZ PHE A 6 32.434 -24.818 62.267 1.00122.60 C ATOM 12 HN3 PHE A 6 32.003 -22.963 55.671 1.00 0.00 H ATOM 13 HN2 PHE A 6 30.606 -23.929 55.627 1.00 0.00 H ATOM 14 HN1 PHE A 6 32.096 -24.610 56.077 1.00 0.00 H ATOM 15 N ASN A 7 29.556 -22.175 58.686 1.00 78.43 N ATOM 16 CA ASN A 7 28.689 -21.052 58.977 1.00 79.01 C ATOM 17 C ASN A 7 29.474 -19.857 59.518 1.00 80.78 C ATOM 18 O ASN A 7 29.120 -18.701 59.263 1.00 70.95 O ATOM 19 CB ASN A 7 27.611 -21.485 59.965 1.00 86.46 C ATOM 20 CG ASN A 7 26.413 -22.112 59.276 1.00 97.10 C ATOM 21 OD1 ASN A 7 26.106 -21.796 58.122 1.00107.32 O ATOM 22 ND2 ASN A 7 25.723 -22.998 59.984 1.00106.58 N ATOM 23 HD22 ASN A 7 26.019 -23.233 60.953 1.00 0.00 H ATOM 24 HD21 ASN A 7 24.887 -23.457 59.570 1.00 0.00 H ATOM 25 H ASN A 7 29.541 -23.000 59.319 1.00 0.00 H ATOM 26 N VAL A 8 30.544 -20.138 60.257 1.00 72.70 N ATOM 27 CA VAL A 8 31.379 -19.083 60.816 1.00 82.37 C ATOM 28 C VAL A 8 32.016 -18.272 59.703 1.00 77.50 C ATOM 29 O VAL A 8 31.960 -17.040 59.710 1.00 73.72 O ATOM 30 CB VAL A 8 32.472 -19.652 61.728 1.00 85.14 C ATOM 31 CG1 VAL A 8 33.428 -18.553 62.211 1.00 69.44 C ATOM 32 CG2 VAL A 8 31.830 -20.353 62.908 1.00 88.95 C ATOM 33 H VAL A 8 30.790 -21.132 60.440 1.00 0.00 H ATOM 34 N ARG A 9 32.605 -18.963 58.743 1.00 62.03 N ATOM 35 CA ARG A 9 33.268 -18.303 57.643 1.00 59.11 C ATOM 36 C ARG A 9 32.264 -17.410 56.883 1.00 53.90 C ATOM 37 O ARG A 9 32.584 -16.300 56.522 1.00 50.76 O ATOM 38 CB ARG A 9 33.899 -19.323 56.709 1.00 76.96 C ATOM 39 CG ARG A 9 34.840 -18.711 55.704 1.00 94.53 C ATOM 40 CD ARG A 9 36.144 -19.506 55.547 1.00127.19 C ATOM 41 NE ARG A 9 36.276 -20.064 54.203 1.00103.70 N ATOM 42 CZ ARG A 9 36.376 -19.333 53.096 1.00113.80 C ATOM 43 NH1 ARG A 9 36.350 -18.009 53.161 1.00111.99 N ATOM 44 NH2 ARG A 9 36.494 -19.930 51.920 1.00106.90 N ATOM 45 HE ARG A 9 36.293 -21.099 54.106 1.00 0.00 H ATOM 46 HH12 ARG A 9 36.429 -17.444 52.291 1.00 0.00 H ATOM 47 HH11 ARG A 9 36.251 -17.535 54.082 1.00 0.00 H ATOM 48 HH22 ARG A 9 36.572 -19.361 51.053 1.00 0.00 H ATOM 49 HH21 ARG A 9 36.508 -20.968 51.863 1.00 0.00 H ATOM 50 H ARG A 9 32.591 -20.002 58.780 1.00 0.00 H ATOM 51 N LEU A 10 31.057 -17.930 56.679 1.00 59.87 N ATOM 52 CA LEU A 10 30.018 -17.276 55.902 1.00 52.22 C ATOM 53 C LEU A 10 29.499 -16.004 56.565 1.00 57.45 C ATOM 54 O LEU A 10 29.255 -15.009 55.913 1.00 51.51 O ATOM 55 CB LEU A 10 28.838 -18.243 55.679 1.00 62.05 C ATOM 56 CG LEU A 10 27.668 -17.561 54.953 1.00 64.56 C ATOM 57 CD1 LEU A 10 28.114 -17.107 53.577 1.00 45.27 C ATOM 58 CD2 LEU A 10 26.475 -18.458 54.820 1.00 50.24 C ATOM 59 H LEU A 10 30.845 -18.857 57.099 1.00 0.00 H ATOM 60 N LEU A 11 29.299 -16.068 57.872 1.00 62.09 N ATOM 61 CA LEU A 11 28.818 -14.928 58.612 1.00 62.30 C ATOM 62 C LEU A 11 29.813 -13.793 58.589 1.00 62.82 C ATOM 63 O LEU A 11 29.420 -12.610 58.570 1.00 52.91 O ATOM 64 CB LEU A 11 28.522 -15.330 60.060 1.00 69.92 C ATOM 65 CG LEU A 11 27.066 -15.614 60.432 1.00 72.29 C ATOM 66 CD1 LEU A 11 26.179 -16.045 59.265 1.00 74.65 C ATOM 67 CD2 LEU A 11 27.044 -16.686 61.516 1.00 75.97 C ATOM 68 H LEU A 11 29.493 -16.958 58.375 1.00 0.00 H ATOM 69 N THR A 12 31.097 -14.142 58.625 1.00 50.13 N ATOM 70 CA THR A 12 32.123 -13.131 58.701 1.00 55.84 C ATOM 71 C THR A 12 32.224 -12.459 57.353 1.00 73.89 C ATOM 72 O THR A 12 32.357 -11.228 57.292 1.00 52.66 O ATOM 73 CB THR A 12 33.488 -13.697 59.109 1.00 52.33 C ATOM 74 OG1 THR A 12 33.866 -14.738 58.205 1.00 90.30 O ATOM 75 CG2 THR A 12 33.429 -14.247 60.509 1.00 57.35 C ATOM 76 HG1 THR A 12 33.189 -15.460 58.233 1.00 0.00 H ATOM 77 H THR A 12 31.361 -15.147 58.598 1.00 0.00 H ATOM 78 N GLU A 13 32.145 -13.258 56.280 1.00 58.53 N ATOM 79 CA GLU A 13 32.244 -12.699 54.916 1.00 58.00 C ATOM 80 C GLU A 13 31.067 -11.746 54.663 1.00 44.14 C ATOM 81 O GLU A 13 31.244 -10.661 54.152 1.00 53.47 O ATOM 82 CB GLU A 13 32.282 -13.803 53.846 1.00 40.78 C ATOM 83 CG GLU A 13 33.581 -14.591 53.816 1.00 61.46 C ATOM 84 CD GLU A 13 33.659 -15.557 52.635 1.00 64.79 C ATOM 85 OE1 GLU A 13 32.753 -15.518 51.778 1.00 47.80 O ATOM 86 OE2 GLU A 13 34.627 -16.354 52.568 1.00 58.20 O ATOM 87 H GLU A 13 32.013 -14.281 56.409 1.00 0.00 H ATOM 88 N ILE A 14 29.876 -12.181 55.041 1.00 47.67 N ATOM 89 CA ILE A 14 28.683 -11.345 54.993 1.00 56.93 C ATOM 90 C ILE A 14 28.896 -10.062 55.773 1.00 65.13 C ATOM 91 O ILE A 14 28.703 -8.958 55.251 1.00 52.17 O ATOM 92 CB ILE A 14 27.454 -12.092 55.582 1.00 50.08 C ATOM 93 CG1 ILE A 14 27.067 -13.240 54.651 1.00 37.11 C ATOM 94 CG2 ILE A 14 26.273 -11.120 55.817 1.00 46.07 C ATOM 95 CD1 ILE A 14 26.015 -14.177 55.197 1.00 41.84 C ATOM 96 H ILE A 14 29.788 -13.158 55.386 1.00 0.00 H ATOM 97 N ALA A 15 29.296 -10.214 57.031 1.00 47.31 N ATOM 98 CA ALA A 15 29.501 -9.057 57.881 1.00 48.71 C ATOM 99 C ALA A 15 30.519 -8.124 57.255 1.00 59.96 C ATOM 100 O ALA A 15 30.285 -6.920 57.160 1.00 49.68 O ATOM 101 CB ALA A 15 29.948 -9.472 59.303 1.00 45.79 C ATOM 102 H ALA A 15 29.463 -11.169 57.408 1.00 0.00 H ATOM 103 N PHE A 16 31.636 -8.668 56.805 1.00 49.07 N ATOM 104 CA PHE A 16 32.712 -7.817 56.324 1.00 58.95 C ATOM 105 C PHE A 16 32.340 -7.054 55.054 1.00 57.56 C ATOM 106 O PHE A 16 32.834 -5.960 54.823 1.00 45.69 O ATOM 107 CB PHE A 16 33.967 -8.648 56.071 1.00 75.63 C ATOM 108 CG PHE A 16 35.150 -7.836 55.613 1.00 99.56 C ATOM 109 CD1 PHE A 16 35.711 -6.879 56.436 1.00 91.06 C ATOM 110 CD2 PHE A 16 35.714 -8.049 54.372 1.00 75.25 C ATOM 111 CE1 PHE A 16 36.800 -6.144 56.016 1.00 94.76 C ATOM 112 CE2 PHE A 16 36.802 -7.312 53.946 1.00 75.61 C ATOM 113 CZ PHE A 16 37.349 -6.369 54.771 1.00 97.87 C ATOM 114 H PHE A 16 31.745 -9.702 56.795 1.00 0.00 H ATOM 115 N MET A 17 31.492 -7.632 54.219 1.00 44.68 N ATOM 116 CA MET A 17 31.219 -7.016 52.936 1.00 61.78 C ATOM 117 C MET A 17 30.166 -5.958 53.152 1.00 53.52 C ATOM 118 O MET A 17 30.135 -4.986 52.418 1.00 44.83 O ATOM 119 CB MET A 17 30.756 -8.035 51.878 1.00 43.27 C ATOM 120 CG MET A 17 31.855 -8.948 51.369 1.00 45.95 C ATOM 121 SD MET A 17 33.139 -8.237 50.384 1.00 52.26 S ATOM 122 CE MET A 17 34.527 -8.198 51.490 1.00 70.56 C ATOM 123 H MET A 17 31.024 -8.523 54.482 1.00 0.00 H ATOM 124 N ALA A 18 29.309 -6.145 54.157 1.00 53.11 N ATOM 125 CA ALA A 18 28.309 -5.125 54.472 1.00 57.73 C ATOM 126 C ALA A 18 29.046 -3.882 54.948 1.00 53.31 C ATOM 127 O ALA A 18 28.746 -2.749 54.506 1.00 37.66 O ATOM 128 CB ALA A 18 27.340 -5.589 55.511 1.00 54.58 C ATOM 129 H ALA A 18 29.352 -7.019 54.719 1.00 0.00 H ATOM 130 N ALA A 19 30.015 -4.118 55.832 1.00 45.10 N ATOM 131 CA ALA A 19 30.788 -3.050 56.441 1.00 50.12 C ATOM 132 C ALA A 19 31.577 -2.330 55.356 1.00 58.30 C ATOM 133 O ALA A 19 31.655 -1.096 55.347 1.00 56.61 O ATOM 134 CB ALA A 19 31.715 -3.590 57.511 1.00 38.75 C ATOM 135 H ALA A 19 30.225 -5.102 56.095 1.00 0.00 H ATOM 136 N LEU A 20 32.143 -3.111 54.440 1.00 56.57 N ATOM 137 CA LEU A 20 32.910 -2.566 53.316 1.00 51.31 C ATOM 138 C LEU A 20 32.032 -1.669 52.449 1.00 42.12 C ATOM 139 O LEU A 20 32.433 -0.590 52.085 1.00 46.59 O ATOM 140 CB LEU A 20 33.511 -3.686 52.466 1.00 69.63 C ATOM 141 CG LEU A 20 34.529 -3.301 51.376 1.00 68.33 C ATOM 142 CD1 LEU A 20 35.663 -2.411 51.920 1.00 60.20 C ATOM 143 CD2 LEU A 20 35.120 -4.548 50.730 1.00 59.98 C ATOM 144 H LEU A 20 32.038 -4.142 54.524 1.00 0.00 H ATOM 145 N ALA A 21 30.826 -2.111 52.154 1.00 39.89 N ATOM 146 CA ALA A 21 29.892 -1.294 51.392 1.00 54.40 C ATOM 147 C ALA A 21 29.611 0.051 52.072 1.00 50.19 C ATOM 148 O ALA A 21 29.634 1.092 51.441 1.00 44.75 O ATOM 149 CB ALA A 21 28.588 -2.046 51.185 1.00 37.48 C ATOM 150 H ALA A 21 30.537 -3.058 52.470 1.00 0.00 H ATOM 151 N PHE A 22 29.317 0.018 53.360 1.00 47.45 N ATOM 152 CA PHE A 22 29.042 1.226 54.082 1.00 45.08 C ATOM 153 C PHE A 22 30.245 2.130 54.063 1.00 41.42 C ATOM 154 O PHE A 22 30.128 3.357 53.909 1.00 49.54 O ATOM 155 CB PHE A 22 28.672 0.931 55.533 1.00 59.48 C ATOM 156 CG PHE A 22 28.781 2.135 56.433 1.00 58.95 C ATOM 157 CD1 PHE A 22 27.806 3.130 56.401 1.00 64.90 C ATOM 158 CD2 PHE A 22 29.858 2.287 57.279 1.00 61.53 C ATOM 159 CE1 PHE A 22 27.895 4.230 57.212 1.00 72.04 C ATOM 160 CE2 PHE A 22 29.949 3.383 58.120 1.00 68.27 C ATOM 161 CZ PHE A 22 28.968 4.364 58.079 1.00 82.32 C ATOM 162 H PHE A 22 29.285 -0.895 53.856 1.00 0.00 H ATOM 163 N ILE A 23 31.416 1.532 54.252 1.00 40.41 N ATOM 164 CA ILE A 23 32.619 2.322 54.304 1.00 51.19 C ATOM 165 C ILE A 23 32.813 2.970 52.932 1.00 63.12 C ATOM 166 O ILE A 23 33.096 4.177 52.832 1.00 60.98 O ATOM 167 CB ILE A 23 33.831 1.462 54.762 1.00 66.23 C ATOM 168 CG1 ILE A 23 33.682 1.188 56.272 1.00 73.64 C ATOM 169 CG2 ILE A 23 35.155 2.199 54.535 1.00 53.50 C ATOM 170 CD1 ILE A 23 34.724 0.305 56.888 1.00 71.42 C ATOM 171 H ILE A 23 31.464 0.499 54.362 1.00 0.00 H ATOM 172 N ILE A 24 32.603 2.200 51.872 1.00 60.09 N ATOM 173 CA ILE A 24 32.794 2.757 50.545 1.00 59.01 C ATOM 174 C ILE A 24 31.724 3.810 50.275 1.00 44.95 C ATOM 175 O ILE A 24 32.012 4.828 49.665 1.00 38.49 O ATOM 176 CB ILE A 24 32.808 1.653 49.451 1.00 54.74 C ATOM 177 CG1 ILE A 24 34.157 0.926 49.519 1.00 83.84 C ATOM 178 CG2 ILE A 24 32.674 2.248 48.052 1.00 48.34 C ATOM 179 CD1 ILE A 24 34.231 -0.332 48.666 1.00 80.49 C ATOM 180 H ILE A 24 32.306 1.210 51.990 1.00 0.00 H ATOM 181 N SER A 25 30.513 3.622 50.780 1.00 38.27 N ATOM 182 CA SER A 25 29.496 4.648 50.587 1.00 50.62 C ATOM 183 C SER A 25 29.898 6.037 51.133 1.00 56.17 C ATOM 184 O SER A 25 29.227 7.018 50.825 1.00 63.47 O ATOM 185 CB SER A 25 28.164 4.244 51.231 1.00 41.02 C ATOM 186 OG SER A 25 28.277 4.148 52.644 1.00 58.52 O ATOM 187 HG SER A 25 27.402 3.886 53.027 1.00 0.00 H ATOM 188 H SER A 25 30.291 2.753 51.307 1.00 0.00 H ATOM 189 N LEU A 26 30.965 6.118 51.931 1.00 51.86 N ATOM 190 CA LEU A 26 31.426 7.395 52.496 1.00 54.69 C ATOM 191 C LEU A 26 32.260 8.214 51.509 1.00 57.79 C ATOM 192 O LEU A 26 32.554 9.377 51.750 1.00 56.61 O ATOM 193 CB LEU A 26 32.252 7.172 53.776 1.00 69.71 C ATOM 194 CG LEU A 26 31.586 6.502 54.990 1.00 66.76 C ATOM 195 CD1 LEU A 26 32.608 6.352 56.113 1.00 59.17 C ATOM 196 CD2 LEU A 26 30.349 7.277 55.473 1.00 75.37 C ATOM 197 H LEU A 26 31.488 5.249 52.161 1.00 0.00 H ATOM 198 N ILE A 27 32.640 7.619 50.394 1.00 58.47 N ATOM 199 CA ILE A 27 33.341 8.352 49.360 1.00 59.63 C ATOM 200 C ILE A 27 32.340 9.189 48.565 1.00 57.62 C ATOM 201 O ILE A 27 31.292 8.677 48.180 1.00 57.87 O ATOM 202 CB ILE A 27 34.092 7.400 48.422 1.00 73.33 C ATOM 203 CG1 ILE A 27 35.130 6.623 49.234 1.00 83.91 C ATOM 204 CG2 ILE A 27 34.746 8.178 47.285 1.00 75.68 C ATOM 205 CD1 ILE A 27 35.987 5.688 48.445 1.00 71.71 C ATOM 206 H ILE A 27 32.433 6.609 50.256 1.00 0.00 H ATOM 207 N PRO A 28 32.643 10.491 48.346 1.00 59.82 N ATOM 208 CA PRO A 28 31.808 11.338 47.482 1.00 46.09 C ATOM 209 C PRO A 28 31.588 10.737 46.105 1.00 51.10 C ATOM 210 O PRO A 28 32.562 10.393 45.456 1.00 65.07 O ATOM 211 CB PRO A 28 32.617 12.631 47.405 1.00 50.57 C ATOM 212 CG PRO A 28 33.253 12.718 48.797 1.00 63.93 C ATOM 213 CD PRO A 28 33.673 11.288 49.050 1.00 72.49 C ATOM 214 N ASN A 29 30.336 10.602 45.674 1.00 43.74 N ATOM 215 CA ASN A 29 30.024 9.824 44.452 1.00 50.00 C ATOM 216 C ASN A 29 28.959 10.491 43.621 1.00 48.49 C ATOM 217 O ASN A 29 28.295 9.845 42.810 1.00 48.90 O ATOM 218 CB ASN A 29 29.564 8.414 44.807 1.00 53.60 C ATOM 219 CG ASN A 29 28.244 8.411 45.555 1.00 53.24 C ATOM 220 OD1 ASN A 29 27.866 9.409 46.182 1.00 51.07 O ATOM 221 ND2 ASN A 29 27.538 7.297 45.497 1.00 47.61 N ATOM 222 HD22 ASN A 29 27.895 6.483 44.958 1.00 0.00 H ATOM 223 HD21 ASN A 29 26.625 7.234 45.991 1.00 0.00 H ATOM 224 H ASN A 29 29.562 11.051 46.205 1.00 0.00 H ATOM 225 N THR A 30 28.816 11.794 43.846 1.00 42.81 N ATOM 226 CA THR A 30 27.814 12.607 43.192 1.00 47.41 C ATOM 227 C THR A 30 28.331 13.178 41.863 1.00 50.11 C ATOM 228 O THR A 30 29.371 13.853 41.799 1.00 55.47 O ATOM 229 CB THR A 30 27.361 13.771 44.155 1.00 47.19 C ATOM 230 OG1 THR A 30 26.663 13.194 45.273 1.00 52.77 O ATOM 231 CG2 THR A 30 26.460 14.779 43.435 1.00 46.35 C ATOM 232 HG1 THR A 30 27.267 12.574 45.753 1.00 0.00 H ATOM 233 H THR A 30 29.456 12.251 44.526 1.00 0.00 H ATOM 234 N VAL A 31 27.569 12.941 40.811 1.00 45.78 N ATOM 235 CA VAL A 31 27.892 13.498 39.504 1.00 42.06 C ATOM 236 C VAL A 31 27.187 14.837 39.318 1.00 46.79 C ATOM 237 O VAL A 31 27.816 15.871 38.974 1.00 49.38 O ATOM 238 CB VAL A 31 27.482 12.512 38.375 1.00 43.51 C ATOM 239 CG1 VAL A 31 27.980 13.025 36.987 1.00 53.47 C ATOM 240 CG2 VAL A 31 28.034 11.128 38.667 1.00 37.00 C ATOM 241 H VAL A 31 26.723 12.346 40.917 1.00 0.00 H ATOM 242 N TYR A 32 25.874 14.807 39.547 1.00 51.44 N ATOM 243 CA TYR A 32 25.007 15.987 39.448 1.00 63.14 C ATOM 244 C TYR A 32 23.747 15.695 40.222 1.00 47.76 C ATOM 245 O TYR A 32 23.021 14.762 39.899 1.00 47.42 O ATOM 246 CB TYR A 32 24.657 16.316 38.001 1.00 60.57 C ATOM 247 CG TYR A 32 23.794 17.538 37.858 1.00 68.05 C ATOM 248 CD1 TYR A 32 24.356 18.809 37.886 1.00 73.79 C ATOM 249 CD2 TYR A 32 22.415 17.430 37.697 1.00 78.78 C ATOM 250 CE1 TYR A 32 23.572 19.947 37.757 1.00 66.85 C ATOM 251 CE2 TYR A 32 21.618 18.558 37.584 1.00 54.49 C ATOM 252 CZ TYR A 32 22.210 19.820 37.609 1.00 63.02 C ATOM 253 OH TYR A 32 21.438 20.959 37.493 1.00 70.69 O ATOM 254 HH TYR A 32 22.022 21.757 37.531 1.00 0.00 H ATOM 255 H TYR A 32 25.441 13.899 39.810 1.00 0.00 H ATOM 256 N GLY A 33 23.502 16.451 41.277 1.00 60.06 N ATOM 257 CA GLY A 33 22.337 16.230 42.106 1.00 48.26 C ATOM 258 C GLY A 33 22.272 14.802 42.613 1.00 44.61 C ATOM 259 O GLY A 33 23.238 14.301 43.173 1.00 68.18 O ATOM 260 H GLY A 33 24.160 17.220 41.517 1.00 0.00 H ATOM 261 N TRP A 34 21.136 14.152 42.411 1.00 45.11 N ATOM 262 CA TRP A 34 20.992 12.773 42.874 1.00 45.76 C ATOM 263 C TRP A 34 21.416 11.778 41.780 1.00 45.87 C ATOM 264 O TRP A 34 21.139 10.587 41.876 1.00 44.39 O ATOM 265 CB TRP A 34 19.556 12.521 43.348 1.00 53.92 C ATOM 266 CG TRP A 34 19.403 12.595 44.866 1.00 50.90 C ATOM 267 CD1 TRP A 34 18.767 13.555 45.575 1.00 47.58 C ATOM 268 CD2 TRP A 34 19.901 11.648 45.833 1.00 40.08 C ATOM 269 NE1 TRP A 34 18.835 13.294 46.923 1.00 46.66 N ATOM 270 CE2 TRP A 34 19.518 12.123 47.114 1.00 61.33 C ATOM 271 CE3 TRP A 34 20.612 10.457 45.740 1.00 42.76 C ATOM 272 CZ2 TRP A 34 19.834 11.444 48.300 1.00 51.08 C ATOM 273 CZ3 TRP A 34 20.928 9.770 46.917 1.00 47.07 C ATOM 274 CH2 TRP A 34 20.550 10.273 48.183 1.00 46.89 C ATOM 275 HE1 TRP A 34 18.433 13.889 47.675 1.00 0.00 H ATOM 276 H TRP A 34 20.347 14.622 41.923 1.00 0.00 H ATOM 277 N ILE A 35 22.093 12.267 40.734 1.00 44.78 N ATOM 278 CA ILE A 35 22.763 11.354 39.804 1.00 48.29 C ATOM 279 C ILE A 35 24.115 11.007 40.419 1.00 49.60 C ATOM 280 O ILE A 35 24.974 11.877 40.658 1.00 40.89 O ATOM 281 CB ILE A 35 22.955 11.924 38.385 1.00 43.71 C ATOM 282 CG1 ILE A 35 21.605 12.236 37.724 1.00 38.43 C ATOM 283 CG2 ILE A 35 23.700 10.913 37.514 1.00 43.02 C ATOM 284 CD1 ILE A 35 21.730 13.224 36.592 1.00 46.84 C ATOM 285 H ILE A 35 22.143 13.294 40.581 1.00 0.00 H ATOM 286 N ILE A 36 24.287 9.721 40.667 1.00 37.19 N ATOM 287 CA ILE A 36 25.389 9.234 41.459 1.00 31.97 C ATOM 288 C ILE A 36 25.979 7.960 40.880 1.00 35.53 C ATOM 289 O ILE A 36 25.329 7.234 40.085 1.00 34.98 O ATOM 290 CB ILE A 36 24.948 8.955 42.920 1.00 43.47 C ATOM 291 CG1 ILE A 36 23.859 7.866 42.991 1.00 41.40 C ATOM 292 CG2 ILE A 36 24.456 10.246 43.595 1.00 48.72 C ATOM 293 CD1 ILE A 36 23.611 7.364 44.451 1.00 32.65 C ATOM 294 H ILE A 36 23.606 9.038 40.279 1.00 0.00 H ATOM 295 N VAL A 37 27.203 7.677 41.302 1.00 37.28 N ATOM 296 CA VAL A 37 27.860 6.423 40.952 1.00 37.23 C ATOM 297 C VAL A 37 27.961 5.583 42.208 1.00 40.06 C ATOM 298 O VAL A 37 28.830 5.846 43.034 1.00 34.41 O ATOM 299 CB VAL A 37 29.269 6.659 40.389 1.00 41.04 C ATOM 300 CG1 VAL A 37 29.799 5.338 39.805 1.00 35.31 C ATOM 301 CG2 VAL A 37 29.263 7.789 39.346 1.00 36.60 C ATOM 302 H VAL A 37 27.707 8.365 41.897 1.00 0.00 H ATOM 303 N GLU A 38 27.068 4.618 42.399 1.00 38.91 N ATOM 304 CA GLU A 38 27.028 3.909 43.687 1.00 34.84 C ATOM 305 C GLU A 38 28.019 2.722 43.784 1.00 36.56 C ATOM 306 O GLU A 38 27.630 1.561 43.795 1.00 36.08 O ATOM 307 CB GLU A 38 25.599 3.415 43.997 1.00 31.14 C ATOM 308 CG GLU A 38 25.481 2.951 45.469 1.00 39.44 C ATOM 309 CD GLU A 38 24.062 2.858 45.966 1.00 46.75 C ATOM 310 OE1 GLU A 38 23.188 2.431 45.184 1.00 47.28 O ATOM 311 OE2 GLU A 38 23.824 3.220 47.143 1.00 56.20 O ATOM 312 H GLU A 38 26.401 4.365 41.642 1.00 0.00 H ATOM 313 N ILE A 39 29.299 3.038 43.909 1.00 28.14 N ATOM 314 CA ILE A 39 30.344 2.033 43.946 1.00 34.11 C ATOM 315 C ILE A 39 30.224 1.137 45.168 1.00 45.25 C ATOM 316 O ILE A 39 30.906 0.102 45.250 1.00 42.97 O ATOM 317 CB ILE A 39 31.771 2.671 43.921 1.00 31.87 C ATOM 318 CG1 ILE A 39 31.884 3.771 44.960 1.00 38.52 C ATOM 319 CG2 ILE A 39 32.121 3.165 42.513 1.00 39.76 C ATOM 320 CD1 ILE A 39 33.292 4.304 45.140 1.00 38.24 C ATOM 321 H ILE A 39 29.564 4.041 43.983 1.00 0.00 H ATOM 322 N ALA A 40 29.376 1.533 46.118 1.00 41.84 N ATOM 323 CA ALA A 40 29.256 0.791 47.374 1.00 38.81 C ATOM 324 C ALA A 40 28.386 -0.461 47.198 1.00 37.12 C ATOM 325 O ALA A 40 28.287 -1.268 48.089 1.00 41.06 O ATOM 326 CB ALA A 40 28.688 1.689 48.450 1.00 35.41 C ATOM 327 H ALA A 40 28.792 2.380 45.964 1.00 0.00 H ATOM 328 N CYS A 41 27.750 -0.583 46.036 1.00 32.94 N ATOM 329 CA CYS A 41 27.011 -1.755 45.651 1.00 37.05 C ATOM 330 C CYS A 41 27.968 -2.913 45.457 1.00 51.08 C ATOM 331 O CYS A 41 27.569 -4.068 45.555 1.00 46.82 O ATOM 332 CB CYS A 41 26.223 -1.501 44.356 1.00 37.31 C ATOM 333 SG CYS A 41 24.841 -0.359 44.539 1.00 41.61 S ATOM 334 H CYS A 41 27.789 0.214 45.369 1.00 0.00 H ATOM 335 N ILE A 42 29.232 -2.602 45.190 1.00 39.55 N ATOM 336 CA ILE A 42 30.151 -3.598 44.629 1.00 51.34 C ATOM 337 C ILE A 42 30.456 -4.722 45.629 1.00 48.45 C ATOM 338 O ILE A 42 30.361 -5.876 45.257 1.00 34.70 O ATOM 339 CB ILE A 42 31.459 -2.933 44.111 1.00 46.58 C ATOM 340 CG1 ILE A 42 31.130 -2.035 42.900 1.00 47.23 C ATOM 341 CG2 ILE A 42 32.504 -3.973 43.669 1.00 44.84 C ATOM 342 CD1 ILE A 42 32.235 -1.041 42.523 1.00 45.29 C ATOM 343 H ILE A 42 29.574 -1.639 45.381 1.00 0.00 H ATOM 344 N PRO A 43 30.770 -4.398 46.900 1.00 43.72 N ATOM 345 CA PRO A 43 31.000 -5.510 47.833 1.00 47.68 C ATOM 346 C PRO A 43 29.764 -6.399 48.007 1.00 43.96 C ATOM 347 O PRO A 43 29.883 -7.589 48.221 1.00 42.57 O ATOM 348 CB PRO A 43 31.357 -4.798 49.140 1.00 67.57 C ATOM 349 CG PRO A 43 31.911 -3.455 48.701 1.00 56.90 C ATOM 350 CD PRO A 43 31.134 -3.091 47.484 1.00 47.63 C ATOM 351 N ILE A 44 28.578 -5.830 47.896 1.00 39.02 N ATOM 352 CA ILE A 44 27.376 -6.629 48.039 1.00 29.89 C ATOM 353 C ILE A 44 27.231 -7.549 46.820 1.00 48.29 C ATOM 354 O ILE A 44 26.926 -8.745 46.972 1.00 41.72 O ATOM 355 CB ILE A 44 26.107 -5.782 48.211 1.00 34.19 C ATOM 356 CG1 ILE A 44 26.247 -4.878 49.426 1.00 44.34 C ATOM 357 CG2 ILE A 44 24.858 -6.683 48.338 1.00 39.02 C ATOM 358 CD1 ILE A 44 26.788 -5.597 50.714 1.00 36.16 C ATOM 359 H ILE A 44 28.506 -4.810 47.706 1.00 0.00 H ATOM 360 N LEU A 45 27.485 -7.002 45.629 1.00 37.34 N ATOM 361 CA LEU A 45 27.461 -7.821 44.419 1.00 33.05 C ATOM 362 C LEU A 45 28.443 -8.947 44.474 1.00 40.82 C ATOM 363 O LEU A 45 28.097 -10.060 44.092 1.00 36.11 O ATOM 364 CB LEU A 45 27.764 -6.999 43.173 1.00 40.40 C ATOM 365 CG LEU A 45 26.761 -5.866 42.975 1.00 34.49 C ATOM 366 CD1 LEU A 45 27.394 -4.805 42.118 1.00 31.49 C ATOM 367 CD2 LEU A 45 25.486 -6.385 42.337 1.00 33.26 C ATOM 368 H LEU A 45 27.701 -5.987 45.562 1.00 0.00 H ATOM 369 N LEU A 46 29.674 -8.659 44.910 1.00 37.52 N ATOM 370 CA LEU A 46 30.670 -9.688 44.977 1.00 37.75 C ATOM 371 C LEU A 46 30.208 -10.771 45.973 1.00 45.82 C ATOM 372 O LEU A 46 30.319 -11.952 45.675 1.00 39.10 O ATOM 373 CB LEU A 46 32.038 -9.134 45.369 1.00 49.01 C ATOM 374 CG LEU A 46 33.130 -10.226 45.340 1.00 43.22 C ATOM 375 CD1 LEU A 46 33.326 -10.877 43.909 1.00 38.14 C ATOM 376 CD2 LEU A 46 34.465 -9.676 45.861 1.00 48.34 C ATOM 377 H LEU A 46 29.909 -7.688 45.201 1.00 0.00 H ATOM 378 N LEU A 47 29.680 -10.349 47.131 1.00 37.55 N ATOM 379 CA LEU A 47 29.207 -11.247 48.172 1.00 41.76 C ATOM 380 C LEU A 47 28.134 -12.186 47.633 1.00 51.02 C ATOM 381 O LEU A 47 28.205 -13.415 47.839 1.00 42.09 O ATOM 382 CB LEU A 47 28.652 -10.446 49.387 1.00 30.33 C ATOM 383 CG LEU A 47 27.880 -11.234 50.435 1.00 39.32 C ATOM 384 CD1 LEU A 47 28.761 -12.352 51.015 1.00 42.90 C ATOM 385 CD2 LEU A 47 27.334 -10.321 51.547 1.00 37.17 C ATOM 386 H LEU A 47 29.605 -9.324 47.293 1.00 0.00 H ATOM 387 N SER A 48 27.139 -11.609 46.963 1.00 42.67 N ATOM 388 CA SER A 48 26.061 -12.400 46.368 1.00 47.56 C ATOM 389 C SER A 48 26.590 -13.336 45.290 1.00 47.85 C ATOM 390 O SER A 48 26.147 -14.478 45.174 1.00 37.57 O ATOM 391 CB SER A 48 24.977 -11.498 45.761 1.00 46.79 C ATOM 392 OG SER A 48 24.579 -10.440 46.635 1.00 38.37 O ATOM 393 HG SER A 48 25.363 -9.872 46.842 1.00 0.00 H ATOM 394 H SER A 48 27.127 -10.574 46.860 1.00 0.00 H ATOM 395 N LEU A 49 27.531 -12.853 44.487 1.00 35.96 N ATOM 396 CA LEU A 49 28.011 -13.632 43.353 1.00 30.72 C ATOM 397 C LEU A 49 28.789 -14.841 43.900 1.00 36.27 C ATOM 398 O LEU A 49 28.774 -15.905 43.311 1.00 38.25 O ATOM 399 CB LEU A 49 28.887 -12.797 42.415 1.00 44.69 C ATOM 400 CG LEU A 49 28.148 -11.858 41.454 1.00 48.57 C ATOM 401 CD1 LEU A 49 29.096 -10.819 40.825 1.00 42.52 C ATOM 402 CD2 LEU A 49 27.440 -12.602 40.345 1.00 37.88 C ATOM 403 H LEU A 49 27.929 -11.910 44.669 1.00 0.00 H ATOM 404 N ARG A 50 29.427 -14.677 45.051 1.00 38.16 N ATOM 405 CA ARG A 50 30.315 -15.705 45.576 1.00 47.56 C ATOM 406 C ARG A 50 29.571 -16.687 46.490 1.00 50.54 C ATOM 407 O ARG A 50 29.861 -17.880 46.472 1.00 62.46 O ATOM 408 CB ARG A 50 31.483 -15.019 46.282 1.00 57.09 C ATOM 409 CG ARG A 50 32.395 -15.865 47.141 1.00 64.40 C ATOM 410 CD ARG A 50 33.148 -14.921 48.108 1.00 66.84 C ATOM 411 NE ARG A 50 33.848 -15.649 49.153 1.00 58.31 N ATOM 412 CZ ARG A 50 35.043 -16.192 48.989 1.00 73.65 C ATOM 413 NH1 ARG A 50 35.662 -16.092 47.821 1.00 83.68 N ATOM 414 NH2 ARG A 50 35.614 -16.849 49.982 1.00 89.06 N ATOM 415 HE ARG A 50 33.385 -15.748 50.079 1.00 0.00 H ATOM 416 HH12 ARG A 50 36.602 -16.519 47.692 1.00 0.00 H ATOM 417 HH11 ARG A 50 35.208 -15.587 47.034 1.00 0.00 H ATOM 418 HH22 ARG A 50 36.554 -17.275 49.851 1.00 0.00 H ATOM 419 HH21 ARG A 50 35.124 -16.940 50.895 1.00 0.00 H ATOM 420 H ARG A 50 29.291 -13.797 45.589 1.00 0.00 H ATOM 421 N ARG A 51 28.580 -16.188 47.231 1.00 47.54 N ATOM 422 CA ARG A 51 27.869 -16.974 48.231 1.00 46.55 C ATOM 423 C ARG A 51 26.394 -17.259 47.929 1.00 50.97 C ATOM 424 O ARG A 51 25.773 -18.081 48.619 1.00 51.75 O ATOM 425 CB ARG A 51 27.960 -16.288 49.605 1.00 36.27 C ATOM 426 CG ARG A 51 29.363 -16.235 50.180 1.00 49.04 C ATOM 427 CD ARG A 51 30.104 -17.580 50.030 1.00 51.04 C ATOM 428 NE ARG A 51 31.126 -17.712 51.056 1.00 57.04 N ATOM 429 CZ ARG A 51 31.213 -18.717 51.940 1.00 78.22 C ATOM 430 NH1 ARG A 51 30.375 -19.752 51.912 1.00 55.59 N ATOM 431 NH2 ARG A 51 32.182 -18.704 52.845 1.00 68.59 N ATOM 432 HE ARG A 51 31.849 -16.966 51.109 1.00 0.00 H ATOM 433 HH12 ARG A 51 30.468 -20.516 52.612 1.00 0.00 H ATOM 434 HH11 ARG A 51 29.627 -19.796 51.191 1.00 0.00 H ATOM 435 HH22 ARG A 51 32.259 -19.478 53.535 1.00 0.00 H ATOM 436 HH21 ARG A 51 32.865 -17.920 52.864 1.00 0.00 H ATOM 437 H ARG A 51 28.303 -15.196 47.089 1.00 0.00 H ATOM 438 N GLY A 52 25.831 -16.594 46.921 1.00 33.73 N ATOM 439 CA GLY A 52 24.484 -16.899 46.480 1.00 41.87 C ATOM 440 C GLY A 52 23.442 -15.947 47.033 1.00 48.74 C ATOM 441 O GLY A 52 23.772 -15.010 47.756 1.00 45.16 O ATOM 442 H GLY A 52 26.367 -15.843 46.442 1.00 0.00 H ATOM 443 N LEU A 53 22.176 -16.217 46.696 1.00 37.92 N ATOM 444 CA LEU A 53 21.077 -15.337 47.016 1.00 42.00 C ATOM 445 C LEU A 53 20.973 -14.944 48.499 1.00 45.83 C ATOM 446 O LEU A 53 21.028 -13.771 48.846 1.00 44.84 O ATOM 447 CB LEU A 53 19.781 -15.986 46.556 1.00 39.06 C ATOM 448 CG LEU A 53 18.527 -15.157 46.807 1.00 51.23 C ATOM 449 CD1 LEU A 53 18.534 -13.815 45.992 1.00 42.96 C ATOM 450 CD2 LEU A 53 17.326 -16.010 46.484 1.00 44.10 C ATOM 451 H LEU A 53 21.975 -17.098 46.182 1.00 0.00 H ATOM 452 N THR A 54 20.815 -15.904 49.391 1.00 46.40 N ATOM 453 CA THR A 54 20.542 -15.547 50.777 1.00 44.49 C ATOM 454 C THR A 54 21.643 -14.689 51.372 1.00 51.92 C ATOM 455 O THR A 54 21.345 -13.675 52.025 1.00 38.50 O ATOM 456 CB THR A 54 20.360 -16.795 51.666 1.00 47.05 C ATOM 457 OG1 THR A 54 19.302 -17.575 51.114 1.00 56.11 O ATOM 458 CG2 THR A 54 20.008 -16.410 53.103 1.00 49.62 C ATOM 459 HG1 THR A 54 19.538 -17.843 50.191 1.00 0.00 H ATOM 460 H THR A 54 20.884 -16.902 49.108 1.00 0.00 H ATOM 461 N ALA A 55 22.902 -15.086 51.170 1.00 30.80 N ATOM 462 CA ALA A 55 23.996 -14.282 51.697 1.00 44.67 C ATOM 463 C ALA A 55 23.925 -12.835 51.198 1.00 48.30 C ATOM 464 O ALA A 55 24.136 -11.916 51.963 1.00 40.87 O ATOM 465 CB ALA A 55 25.256 -14.852 51.315 1.00 35.93 C ATOM 466 H ALA A 55 23.099 -15.960 50.642 1.00 0.00 H ATOM 467 N GLY A 56 23.638 -12.683 49.901 1.00 36.26 N ATOM 468 CA GLY A 56 23.536 -11.410 49.235 1.00 37.39 C ATOM 469 C GLY A 56 22.429 -10.550 49.803 1.00 43.34 C ATOM 470 O GLY A 56 22.650 -9.385 50.067 1.00 42.57 O ATOM 471 H GLY A 56 23.478 -13.541 49.335 1.00 0.00 H ATOM 472 N LEU A 57 21.239 -11.123 49.951 1.00 39.85 N ATOM 473 CA LEU A 57 20.112 -10.450 50.572 1.00 47.80 C ATOM 474 C LEU A 57 20.475 -9.941 51.949 1.00 48.42 C ATOM 475 O LEU A 57 20.093 -8.843 52.344 1.00 40.75 O ATOM 476 CB LEU A 57 18.904 -11.389 50.679 1.00 50.75 C ATOM 477 CG LEU A 57 18.320 -11.932 49.366 1.00 46.67 C ATOM 478 CD1 LEU A 57 17.283 -12.995 49.689 1.00 52.80 C ATOM 479 CD2 LEU A 57 17.708 -10.819 48.516 1.00 37.64 C ATOM 480 H LEU A 57 21.109 -12.096 49.607 1.00 0.00 H ATOM 481 N VAL A 58 21.232 -10.729 52.679 1.00 42.61 N ATOM 482 CA VAL A 58 21.466 -10.419 54.099 1.00 49.78 C ATOM 483 C VAL A 58 22.551 -9.351 54.182 1.00 45.65 C ATOM 484 O VAL A 58 22.492 -8.472 55.020 1.00 35.81 O ATOM 485 CB VAL A 58 21.897 -11.678 54.935 1.00 49.07 C ATOM 486 CG1 VAL A 58 22.406 -11.277 56.310 1.00 43.07 C ATOM 487 CG2 VAL A 58 20.739 -12.695 55.077 1.00 52.57 C ATOM 488 H VAL A 58 21.666 -11.573 52.253 1.00 0.00 H ATOM 489 N GLY A 59 23.552 -9.441 53.306 1.00 40.11 N ATOM 490 CA GLY A 59 24.553 -8.396 53.220 1.00 43.21 C ATOM 491 C GLY A 59 23.889 -7.066 52.899 1.00 40.06 C ATOM 492 O GLY A 59 24.221 -6.056 53.503 1.00 42.76 O ATOM 493 H GLY A 59 23.615 -10.268 52.679 1.00 0.00 H ATOM 494 N GLY A 60 22.954 -7.072 51.947 1.00 40.79 N ATOM 495 CA GLY A 60 22.247 -5.859 51.569 1.00 48.07 C ATOM 496 C GLY A 60 21.485 -5.260 52.744 1.00 54.45 C ATOM 497 O GLY A 60 21.476 -4.053 52.960 1.00 47.49 O ATOM 498 H GLY A 60 22.726 -7.965 51.464 1.00 0.00 H ATOM 499 N LEU A 61 20.792 -6.120 53.476 1.00 42.90 N ATOM 500 CA LEU A 61 20.070 -5.704 54.663 1.00 49.96 C ATOM 501 C LEU A 61 20.978 -4.946 55.633 1.00 51.12 C ATOM 502 O LEU A 61 20.665 -3.819 56.040 1.00 46.34 O ATOM 503 CB LEU A 61 19.464 -6.919 55.367 1.00 60.65 C ATOM 504 CG LEU A 61 18.436 -6.555 56.444 1.00 53.48 C ATOM 505 CD1 LEU A 61 17.189 -5.945 55.814 1.00 54.07 C ATOM 506 CD2 LEU A 61 18.083 -7.769 57.221 1.00 43.98 C ATOM 507 H LEU A 61 20.765 -7.120 53.192 1.00 0.00 H ATOM 508 N ILE A 62 22.096 -5.574 55.992 1.00 49.37 N ATOM 509 CA ILE A 62 23.014 -5.037 57.003 1.00 45.21 C ATOM 510 C ILE A 62 23.595 -3.717 56.513 1.00 47.34 C ATOM 511 O ILE A 62 23.679 -2.731 57.258 1.00 42.09 O ATOM 512 CB ILE A 62 24.137 -6.027 57.316 1.00 45.45 C ATOM 513 CG1 ILE A 62 23.537 -7.275 57.967 1.00 52.22 C ATOM 514 CG2 ILE A 62 25.195 -5.394 58.226 1.00 41.79 C ATOM 515 CD1 ILE A 62 24.552 -8.396 58.313 1.00 40.49 C ATOM 516 H ILE A 62 22.328 -6.481 55.538 1.00 0.00 H ATOM 517 N TRP A 63 23.967 -3.679 55.245 1.00 35.56 N ATOM 518 CA TRP A 63 24.433 -2.425 54.679 1.00 41.11 C ATOM 519 C TRP A 63 23.369 -1.336 54.842 1.00 47.01 C ATOM 520 O TRP A 63 23.656 -0.237 55.339 1.00 49.59 O ATOM 521 CB TRP A 63 24.805 -2.603 53.212 1.00 46.99 C ATOM 522 CG TRP A 63 25.133 -1.309 52.543 1.00 49.93 C ATOM 523 CD1 TRP A 63 25.672 -0.191 53.122 1.00 47.09 C ATOM 524 CD2 TRP A 63 24.923 -0.987 51.174 1.00 41.43 C ATOM 525 NE1 TRP A 63 25.802 0.817 52.194 1.00 47.38 N ATOM 526 CE2 TRP A 63 25.350 0.357 50.986 1.00 38.49 C ATOM 527 CE3 TRP A 63 24.386 -1.684 50.088 1.00 32.63 C ATOM 528 CZ2 TRP A 63 25.269 0.997 49.753 1.00 44.60 C ATOM 529 CZ3 TRP A 63 24.327 -1.053 48.856 1.00 39.66 C ATOM 530 CH2 TRP A 63 24.755 0.280 48.700 1.00 47.94 C ATOM 531 HE1 TRP A 63 26.180 1.768 52.379 1.00 0.00 H ATOM 532 H TRP A 63 23.926 -4.537 54.659 1.00 0.00 H ATOM 533 N GLY A 64 22.133 -1.636 54.460 1.00 35.94 N ATOM 534 CA GLY A 64 21.078 -0.635 54.564 1.00 36.15 C ATOM 535 C GLY A 64 20.848 -0.159 55.995 1.00 50.67 C ATOM 536 O GLY A 64 20.617 1.027 56.242 1.00 42.69 O ATOM 537 H GLY A 64 21.918 -2.583 54.087 1.00 0.00 H ATOM 538 N ILE A 65 20.910 -1.091 56.943 1.00 49.91 N ATOM 539 CA ILE A 65 20.697 -0.764 58.330 1.00 60.46 C ATOM 540 C ILE A 65 21.863 0.085 58.804 1.00 39.92 C ATOM 541 O ILE A 65 21.664 1.019 59.546 1.00 50.18 O ATOM 542 CB ILE A 65 20.529 -2.038 59.199 1.00 56.10 C ATOM 543 CG1 ILE A 65 19.217 -2.738 58.833 1.00 42.31 C ATOM 544 CG2 ILE A 65 20.568 -1.697 60.730 1.00 43.43 C ATOM 545 CD1 ILE A 65 19.053 -4.096 59.541 1.00 57.54 C ATOM 546 H ILE A 65 21.116 -2.075 56.677 1.00 0.00 H ATOM 547 N LEU A 66 23.076 -0.216 58.364 1.00 50.13 N ATOM 548 CA LEU A 66 24.215 0.624 58.727 1.00 48.24 C ATOM 549 C LEU A 66 24.026 2.071 58.238 1.00 58.31 C ATOM 550 O LEU A 66 24.318 3.011 58.979 1.00 56.60 O ATOM 551 CB LEU A 66 25.524 0.076 58.148 1.00 38.40 C ATOM 552 CG LEU A 66 26.614 -0.643 58.960 1.00 60.48 C ATOM 553 CD1 LEU A 66 26.258 -0.942 60.416 1.00 51.99 C ATOM 554 CD2 LEU A 66 27.012 -1.908 58.229 1.00 43.54 C ATOM 555 H LEU A 66 23.217 -1.051 57.760 1.00 0.00 H ATOM 556 N SER A 67 23.578 2.237 56.981 1.00 56.14 N ATOM 557 CA SER A 67 23.347 3.569 56.424 1.00 60.62 C ATOM 558 C SER A 67 22.388 4.342 57.275 1.00 53.95 C ATOM 559 O SER A 67 22.559 5.541 57.509 1.00 44.63 O ATOM 560 CB SER A 67 22.781 3.516 54.998 1.00 58.10 C ATOM 561 OG SER A 67 23.644 2.841 54.134 1.00 50.59 O ATOM 562 HG SER A 67 24.517 3.308 54.110 1.00 0.00 H ATOM 563 H SER A 67 23.392 1.400 56.392 1.00 0.00 H ATOM 564 N MET A 68 21.345 3.670 57.724 1.00 51.99 N ATOM 565 CA MET A 68 20.305 4.415 58.387 1.00 56.93 C ATOM 566 C MET A 68 20.740 4.820 59.804 1.00 65.96 C ATOM 567 O MET A 68 20.600 5.983 60.177 1.00 66.16 O ATOM 568 CB MET A 68 19.015 3.614 58.404 1.00 53.02 C ATOM 569 CG MET A 68 18.350 3.552 57.029 1.00 42.74 C ATOM 570 SD MET A 68 16.693 2.872 57.136 1.00 52.77 S ATOM 571 CE MET A 68 17.109 1.156 57.413 1.00 47.77 C ATOM 572 H MET A 68 21.276 2.639 57.604 1.00 0.00 H ATOM 573 N ILE A 69 21.305 3.886 60.566 1.00 49.70 N ATOM 574 CA ILE A 69 21.568 4.135 61.990 1.00 70.94 C ATOM 575 C ILE A 69 22.770 5.050 62.227 1.00 56.12 C ATOM 576 O ILE A 69 22.912 5.595 63.314 1.00 60.51 O ATOM 577 CB ILE A 69 21.802 2.817 62.789 1.00 75.78 C ATOM 578 CG1 ILE A 69 23.050 2.072 62.305 1.00 56.75 C ATOM 579 CG2 ILE A 69 20.579 1.911 62.716 1.00100.58 C ATOM 580 CD1 ILE A 69 23.575 1.083 63.329 1.00 64.46 C ATOM 581 H ILE A 69 21.563 2.969 60.148 1.00 0.00 H ATOM 582 N THR A 70 23.624 5.210 61.220 1.00 57.39 N ATOM 583 CA THR A 70 24.757 6.142 61.270 1.00 62.17 C ATOM 584 C THR A 70 24.395 7.563 60.825 1.00 62.76 C ATOM 585 O THR A 70 25.252 8.440 60.813 1.00 67.27 O ATOM 586 CB THR A 70 25.923 5.671 60.361 1.00 63.90 C ATOM 587 OG1 THR A 70 25.480 5.615 58.991 1.00 61.16 O ATOM 588 CG2 THR A 70 26.456 4.306 60.797 1.00 65.06 C ATOM 589 HG1 THR A 70 24.726 4.978 58.915 1.00 0.00 H ATOM 590 H THR A 70 23.482 4.648 60.356 1.00 0.00 H ATOM 591 N GLY A 71 23.146 7.782 60.429 1.00 58.93 N ATOM 592 CA GLY A 71 22.739 9.064 59.881 1.00 75.74 C ATOM 593 C GLY A 71 23.208 9.341 58.453 1.00 62.50 C ATOM 594 O GLY A 71 23.230 10.492 58.012 1.00 64.02 O ATOM 595 H GLY A 71 22.444 7.019 60.513 1.00 0.00 H ATOM 596 N HIS A 72 23.605 8.319 57.710 1.00 65.87 N ATOM 597 CA HIS A 72 24.144 8.574 56.369 1.00 59.73 C ATOM 598 C HIS A 72 23.106 8.331 55.298 1.00 53.12 C ATOM 599 O HIS A 72 23.353 8.541 54.125 1.00 97.50 O ATOM 600 CB HIS A 72 25.400 7.740 56.144 1.00 63.84 C ATOM 601 CG HIS A 72 26.592 8.291 56.870 1.00 77.25 C ATOM 602 ND1 HIS A 72 27.415 9.256 56.329 1.00 81.78 N ATOM 603 CD2 HIS A 72 27.070 8.052 58.116 1.00 81.94 C ATOM 604 CE1 HIS A 72 28.363 9.565 57.197 1.00 93.42 C ATOM 605 NE2 HIS A 72 28.177 8.847 58.289 1.00 85.68 N ATOM 606 H HIS A 72 23.536 7.347 58.073 1.00 0.00 H ATOM 607 N ALA A 73 21.927 7.915 55.726 1.00 54.83 N ATOM 608 CA ALA A 73 20.764 7.751 54.860 1.00 57.83 C ATOM 609 C ALA A 73 19.950 9.047 54.741 1.00 62.40 C ATOM 610 O ALA A 73 19.767 9.784 55.722 1.00 49.86 O ATOM 611 CB ALA A 73 19.867 6.615 55.400 1.00 63.13 C ATOM 612 H ALA A 73 21.822 7.692 56.736 1.00 0.00 H ATOM 613 N TYR A 74 19.444 9.304 53.539 1.00 54.22 N ATOM 614 CA TYR A 74 18.507 10.421 53.310 1.00 53.38 C ATOM 615 C TYR A 74 17.050 9.926 53.394 1.00 57.22 C ATOM 616 O TYR A 74 16.550 9.245 52.500 1.00 60.22 O ATOM 617 CB TYR A 74 18.795 11.082 51.957 1.00 51.31 C ATOM 618 CG TYR A 74 20.189 11.673 51.871 1.00 64.93 C ATOM 619 CD1 TYR A 74 21.288 10.883 51.527 1.00 69.95 C ATOM 620 CD2 TYR A 74 20.417 13.018 52.158 1.00 67.64 C ATOM 621 CE1 TYR A 74 22.565 11.426 51.467 1.00 60.38 C ATOM 622 CE2 TYR A 74 21.687 13.557 52.087 1.00 70.23 C ATOM 623 CZ TYR A 74 22.748 12.756 51.738 1.00 70.34 C ATOM 624 OH TYR A 74 24.008 13.288 51.665 1.00 83.83 O ATOM 625 HH TYR A 74 24.649 12.581 51.403 1.00 0.00 H ATOM 626 H TYR A 74 19.716 8.701 52.737 1.00 0.00 H ATOM 627 N ILE A 75 16.389 10.262 54.501 1.00 49.19 N ATOM 628 CA ILE A 75 15.050 9.757 54.820 1.00 49.19 C ATOM 629 C ILE A 75 13.985 10.837 54.776 1.00 66.70 C ATOM 630 O ILE A 75 14.192 11.941 55.276 1.00 75.91 O ATOM 631 CB ILE A 75 15.048 9.106 56.217 1.00 61.10 C ATOM 632 CG1 ILE A 75 15.974 7.885 56.203 1.00 57.60 C ATOM 633 CG2 ILE A 75 13.624 8.749 56.664 1.00 58.12 C ATOM 634 CD1 ILE A 75 16.054 7.143 57.536 1.00 72.45 C ATOM 635 H ILE A 75 16.845 10.914 55.171 1.00 0.00 H ATOM 636 N LEU A 76 12.834 10.488 54.205 1.00 65.36 N ATOM 637 CA LEU A 76 11.728 11.415 54.014 1.00 64.13 C ATOM 638 C LEU A 76 10.456 10.959 54.713 1.00 75.47 C ATOM 639 O LEU A 76 9.562 11.773 54.988 1.00 87.44 O ATOM 640 CB LEU A 76 11.444 11.587 52.531 1.00 59.27 C ATOM 641 CG LEU A 76 12.501 12.311 51.701 1.00 67.76 C ATOM 642 CD1 LEU A 76 12.081 12.266 50.274 1.00 53.41 C ATOM 643 CD2 LEU A 76 12.651 13.775 52.132 1.00 68.42 C ATOM 644 H LEU A 76 12.720 9.507 53.880 1.00 0.00 H ATOM 645 N SER A 77 10.391 9.662 55.005 1.00 58.90 N ATOM 646 CA SER A 77 9.251 9.008 55.645 1.00 65.05 C ATOM 647 C SER A 77 9.639 7.554 55.920 1.00 67.41 C ATOM 648 O SER A 77 10.660 7.073 55.417 1.00 51.25 O ATOM 649 CB SER A 77 8.023 9.017 54.760 1.00 51.53 C ATOM 650 OG SER A 77 8.229 8.072 53.703 1.00 51.83 O ATOM 651 HG SER A 77 7.435 8.062 53.111 1.00 0.00 H ATOM 652 H SER A 77 11.211 9.071 54.760 1.00 0.00 H ATOM 653 N LEU A 78 8.794 6.848 56.664 1.00 57.71 N ATOM 654 CA LEU A 78 9.051 5.459 57.006 1.00 52.51 C ATOM 655 C LEU A 78 9.004 4.600 55.750 1.00 46.40 C ATOM 656 O LEU A 78 9.932 3.846 55.482 1.00 47.07 O ATOM 657 CB LEU A 78 8.042 4.966 58.049 1.00 63.18 C ATOM 658 CG LEU A 78 8.122 3.496 58.516 1.00 80.56 C ATOM 659 CD1 LEU A 78 7.330 2.573 57.591 1.00 92.91 C ATOM 660 CD2 LEU A 78 9.569 2.971 58.671 1.00 74.46 C ATOM 661 H LEU A 78 7.925 7.302 57.011 1.00 0.00 H ATOM 662 N SER A 79 7.929 4.710 54.973 1.00 47.13 N ATOM 663 CA SER A 79 7.826 3.899 53.772 1.00 55.95 C ATOM 664 C SER A 79 9.008 4.161 52.804 1.00 46.16 C ATOM 665 O SER A 79 9.582 3.235 52.231 1.00 47.92 O ATOM 666 CB SER A 79 6.481 4.163 53.105 1.00 66.01 C ATOM 667 OG SER A 79 6.409 5.506 52.680 1.00 79.91 O ATOM 668 HG SER A 79 5.533 5.668 52.248 1.00 0.00 H ATOM 669 H SER A 79 7.168 5.372 55.224 1.00 0.00 H ATOM 670 N GLN A 80 9.434 5.413 52.674 1.00 59.29 N ATOM 671 CA GLN A 80 10.488 5.717 51.707 1.00 64.87 C ATOM 672 C GLN A 80 11.829 5.160 52.142 1.00 59.12 C ATOM 673 O GLN A 80 12.604 4.696 51.297 1.00 43.06 O ATOM 674 CB GLN A 80 10.604 7.228 51.449 1.00 62.00 C ATOM 675 CG GLN A 80 11.826 7.610 50.582 1.00 50.01 C ATOM 676 CD GLN A 80 13.091 7.838 51.424 1.00 53.85 C ATOM 677 OE1 GLN A 80 13.006 8.128 52.607 1.00 46.91 O ATOM 678 NE2 GLN A 80 14.258 7.686 50.809 1.00 44.56 N ATOM 679 HE22 GLN A 80 14.285 7.439 49.799 1.00 0.00 H ATOM 680 HE21 GLN A 80 15.145 7.814 51.337 1.00 0.00 H ATOM 681 H GLN A 80 9.021 6.170 53.255 1.00 0.00 H ATOM 682 N ALA A 81 12.103 5.233 53.440 1.00 56.78 N ATOM 683 CA ALA A 81 13.304 4.639 54.029 1.00 56.64 C ATOM 684 C ALA A 81 13.313 3.121 53.889 1.00 52.96 C ATOM 685 O ALA A 81 14.352 2.536 53.560 1.00 45.84 O ATOM 686 CB ALA A 81 13.407 5.008 55.485 1.00 61.69 C ATOM 687 H ALA A 81 11.437 5.733 54.063 1.00 0.00 H ATOM 688 N PHE A 82 12.164 2.500 54.181 1.00 41.99 N ATOM 689 CA PHE A 82 11.946 1.080 53.907 1.00 41.38 C ATOM 690 C PHE A 82 12.244 0.716 52.455 1.00 44.67 C ATOM 691 O PHE A 82 12.966 -0.227 52.159 1.00 44.13 O ATOM 692 CB PHE A 82 10.512 0.680 54.217 1.00 40.95 C ATOM 693 CG PHE A 82 10.219 -0.752 53.908 1.00 57.19 C ATOM 694 CD1 PHE A 82 10.681 -1.761 54.741 1.00 69.73 C ATOM 695 CD2 PHE A 82 9.478 -1.105 52.792 1.00 60.04 C ATOM 696 CE1 PHE A 82 10.416 -3.093 54.465 1.00 69.17 C ATOM 697 CE2 PHE A 82 9.206 -2.443 52.527 1.00 81.55 C ATOM 698 CZ PHE A 82 9.681 -3.430 53.361 1.00 63.74 C ATOM 699 H PHE A 82 11.397 3.048 54.620 1.00 0.00 H ATOM 700 N LEU A 83 11.686 1.481 51.540 1.00 47.97 N ATOM 701 CA LEU A 83 11.865 1.190 50.130 1.00 44.29 C ATOM 702 C LEU A 83 13.316 1.373 49.734 1.00 49.15 C ATOM 703 O LEU A 83 13.889 0.508 49.085 1.00 45.78 O ATOM 704 CB LEU A 83 10.924 2.085 49.302 1.00 42.12 C ATOM 705 CG LEU A 83 10.869 2.012 47.785 1.00 50.94 C ATOM 706 CD1 LEU A 83 10.789 0.553 47.316 1.00 56.05 C ATOM 707 CD2 LEU A 83 9.661 2.831 47.286 1.00 62.06 C ATOM 708 H LEU A 83 11.113 2.299 51.830 1.00 0.00 H ATOM 709 N GLU A 84 13.940 2.470 50.159 1.00 41.31 N ATOM 710 CA GLU A 84 15.233 2.851 49.563 1.00 35.20 C ATOM 711 C GLU A 84 16.443 2.404 50.346 1.00 38.30 C ATOM 712 O GLU A 84 17.555 2.359 49.801 1.00 34.80 O ATOM 713 CB GLU A 84 15.307 4.355 49.361 1.00 38.22 C ATOM 714 CG GLU A 84 14.295 4.875 48.342 1.00 42.44 C ATOM 715 CD GLU A 84 14.732 6.212 47.707 1.00 49.72 C ATOM 716 OE1 GLU A 84 15.606 6.198 46.828 1.00 50.03 O ATOM 717 OE2 GLU A 84 14.203 7.273 48.082 1.00 41.22 O ATOM 718 H GLU A 84 13.517 3.055 50.908 1.00 0.00 H ATOM 719 N TYR A 85 16.248 2.047 51.609 1.00 47.84 N ATOM 720 CA TYR A 85 17.370 1.580 52.407 1.00 39.72 C ATOM 721 C TYR A 85 17.165 0.191 53.003 1.00 39.15 C ATOM 722 O TYR A 85 18.030 -0.301 53.757 1.00 35.82 O ATOM 723 CB TYR A 85 17.664 2.599 53.520 1.00 44.10 C ATOM 724 CG TYR A 85 18.282 3.838 52.958 1.00 46.71 C ATOM 725 CD1 TYR A 85 19.625 3.875 52.588 1.00 52.28 C ATOM 726 CD2 TYR A 85 17.520 4.991 52.779 1.00 46.33 C ATOM 727 CE1 TYR A 85 20.188 5.041 52.076 1.00 43.37 C ATOM 728 CE2 TYR A 85 18.071 6.133 52.272 1.00 41.62 C ATOM 729 CZ TYR A 85 19.391 6.165 51.927 1.00 50.93 C ATOM 730 OH TYR A 85 19.883 7.362 51.441 1.00 47.02 O ATOM 731 HH TYR A 85 20.844 7.260 51.228 1.00 0.00 H ATOM 732 H TYR A 85 15.297 2.101 52.026 1.00 0.00 H ATOM 733 N LEU A 86 16.046 -0.456 52.686 1.00 38.94 N ATOM 734 CA LEU A 86 15.935 -1.876 53.052 1.00 45.91 C ATOM 735 C LEU A 86 15.756 -2.692 51.769 1.00 36.33 C ATOM 736 O LEU A 86 16.629 -3.471 51.406 1.00 40.76 O ATOM 737 CB LEU A 86 14.811 -2.116 54.053 1.00 45.22 C ATOM 738 CG LEU A 86 15.052 -1.633 55.507 1.00 60.84 C ATOM 739 CD1 LEU A 86 13.843 -1.926 56.360 1.00 51.78 C ATOM 740 CD2 LEU A 86 16.302 -2.273 56.182 1.00 72.17 C ATOM 741 H LEU A 86 15.270 0.030 52.192 1.00 0.00 H ATOM 742 N VAL A 87 14.662 -2.474 51.072 1.00 33.95 N ATOM 743 CA VAL A 87 14.375 -3.228 49.870 1.00 49.49 C ATOM 744 C VAL A 87 15.432 -3.049 48.796 1.00 47.94 C ATOM 745 O VAL A 87 15.932 -4.042 48.256 1.00 42.55 O ATOM 746 CB VAL A 87 12.999 -2.857 49.314 1.00 43.06 C ATOM 747 CG1 VAL A 87 12.770 -3.502 47.936 1.00 35.42 C ATOM 748 CG2 VAL A 87 11.927 -3.324 50.304 1.00 43.47 C ATOM 749 H VAL A 87 13.991 -1.746 51.390 1.00 0.00 H ATOM 750 N ALA A 88 15.795 -1.806 48.499 1.00 40.54 N ATOM 751 CA ALA A 88 16.749 -1.515 47.400 1.00 34.61 C ATOM 752 C ALA A 88 18.143 -2.180 47.621 1.00 41.74 C ATOM 753 O ALA A 88 18.694 -2.823 46.715 1.00 34.46 O ATOM 754 CB ALA A 88 16.890 -0.009 47.243 1.00 35.64 C ATOM 755 H ALA A 88 15.401 -1.017 49.050 1.00 0.00 H ATOM 756 N PRO A 89 18.733 -2.007 48.819 1.00 35.57 N ATOM 757 CA PRO A 89 20.024 -2.672 48.979 1.00 38.43 C ATOM 758 C PRO A 89 19.881 -4.199 49.123 1.00 40.43 C ATOM 759 O PRO A 89 20.722 -4.916 48.568 1.00 42.71 O ATOM 760 CB PRO A 89 20.603 -2.039 50.256 1.00 36.57 C ATOM 761 CG PRO A 89 19.389 -1.486 51.008 1.00 36.32 C ATOM 762 CD PRO A 89 18.473 -1.024 49.904 1.00 40.42 C ATOM 763 N VAL A 90 18.864 -4.675 49.838 1.00 41.38 N ATOM 764 CA VAL A 90 18.585 -6.108 49.878 1.00 33.98 C ATOM 765 C VAL A 90 18.492 -6.666 48.425 1.00 64.38 C ATOM 766 O VAL A 90 18.989 -7.750 48.156 1.00 47.30 O ATOM 767 CB VAL A 90 17.293 -6.451 50.648 1.00 33.81 C ATOM 768 CG1 VAL A 90 16.818 -7.886 50.316 1.00 47.15 C ATOM 769 CG2 VAL A 90 17.502 -6.315 52.184 1.00 35.94 C ATOM 770 H VAL A 90 18.261 -4.019 50.374 1.00 0.00 H ATOM 771 N SER A 91 17.906 -5.908 47.497 1.00 46.85 N ATOM 772 CA SER A 91 17.615 -6.428 46.153 1.00 45.68 C ATOM 773 C SER A 91 18.859 -6.741 45.351 1.00 32.64 C ATOM 774 O SER A 91 18.797 -7.470 44.381 1.00 37.76 O ATOM 775 CB SER A 91 16.771 -5.443 45.356 1.00 41.92 C ATOM 776 OG SER A 91 17.571 -4.364 44.881 1.00 43.28 O ATOM 777 HG SER A 91 17.975 -3.890 45.651 1.00 0.00 H ATOM 778 H SER A 91 17.649 -4.927 47.729 1.00 0.00 H ATOM 779 N LEU A 92 19.980 -6.119 45.708 1.00 31.02 N ATOM 780 CA LEU A 92 21.236 -6.449 45.086 1.00 29.26 C ATOM 781 C LEU A 92 21.514 -7.992 45.146 1.00 43.79 C ATOM 782 O LEU A 92 22.148 -8.533 44.252 1.00 42.64 O ATOM 783 CB LEU A 92 22.368 -5.667 45.734 1.00 33.60 C ATOM 784 CG LEU A 92 22.452 -4.160 45.410 1.00 34.24 C ATOM 785 CD1 LEU A 92 23.550 -3.499 46.248 1.00 37.69 C ATOM 786 CD2 LEU A 92 22.719 -3.898 43.909 1.00 28.17 C ATOM 787 H LEU A 92 19.949 -5.386 46.445 1.00 0.00 H ATOM 788 N GLY A 93 21.009 -8.675 46.176 1.00 37.74 N ATOM 789 CA GLY A 93 21.277 -10.089 46.401 1.00 43.06 C ATOM 790 C GLY A 93 20.857 -10.972 45.230 1.00 37.94 C ATOM 791 O GLY A 93 21.359 -12.068 45.052 1.00 35.95 O ATOM 792 H GLY A 93 20.395 -8.174 46.850 1.00 0.00 H ATOM 793 N ILE A 94 19.943 -10.453 44.424 1.00 37.84 N ATOM 794 CA ILE A 94 19.462 -11.130 43.262 1.00 44.93 C ATOM 795 C ILE A 94 20.632 -11.564 42.370 1.00 40.57 C ATOM 796 O ILE A 94 20.493 -12.522 41.623 1.00 36.12 O ATOM 797 CB ILE A 94 18.468 -10.255 42.475 1.00 35.40 C ATOM 798 CG1 ILE A 94 17.592 -11.180 41.595 1.00 63.11 C ATOM 799 CG2 ILE A 94 19.173 -9.178 41.681 1.00 39.67 C ATOM 800 CD1 ILE A 94 16.474 -10.492 40.854 1.00 68.70 C ATOM 801 H ILE A 94 19.559 -9.512 44.647 1.00 0.00 H ATOM 802 N ALA A 95 21.780 -10.902 42.506 1.00 28.36 N ATOM 803 CA ALA A 95 22.975 -11.293 41.795 1.00 33.88 C ATOM 804 C ALA A 95 23.385 -12.724 42.155 1.00 40.62 C ATOM 805 O ALA A 95 24.050 -13.397 41.366 1.00 34.19 O ATOM 806 CB ALA A 95 24.138 -10.329 42.105 1.00 37.27 C ATOM 807 H ALA A 95 21.817 -10.080 43.142 1.00 0.00 H ATOM 808 N GLY A 96 23.012 -13.169 43.349 1.00 33.87 N ATOM 809 CA GLY A 96 23.414 -14.482 43.810 1.00 44.98 C ATOM 810 C GLY A 96 22.840 -15.580 42.955 1.00 46.10 C ATOM 811 O GLY A 96 23.303 -16.704 43.036 1.00 51.68 O ATOM 812 H GLY A 96 22.424 -12.568 43.961 1.00 0.00 H ATOM 813 N LEU A 97 21.858 -15.266 42.111 1.00 50.64 N ATOM 814 CA LEU A 97 21.251 -16.311 41.281 1.00 53.35 C ATOM 815 C LEU A 97 22.180 -16.696 40.116 1.00 40.12 C ATOM 816 O LEU A 97 21.891 -17.639 39.391 1.00 45.56 O ATOM 817 CB LEU A 97 19.889 -15.853 40.740 1.00 42.97 C ATOM 818 CG LEU A 97 18.740 -15.730 41.742 1.00 39.83 C ATOM 819 CD1 LEU A 97 17.623 -14.978 41.053 1.00 56.99 C ATOM 820 CD2 LEU A 97 18.243 -17.105 42.313 1.00 38.46 C ATOM 821 H LEU A 97 21.523 -14.284 42.041 1.00 0.00 H ATOM 822 N PHE A 98 23.263 -15.931 39.938 1.00 41.39 N ATOM 823 CA PHE A 98 24.217 -16.134 38.846 1.00 47.33 C ATOM 824 C PHE A 98 25.559 -16.604 39.407 1.00 52.23 C ATOM 825 O PHE A 98 26.580 -16.638 38.709 1.00 41.06 O ATOM 826 CB PHE A 98 24.341 -14.836 38.004 1.00 46.49 C ATOM 827 CG PHE A 98 23.006 -14.367 37.461 1.00 34.82 C ATOM 828 CD1 PHE A 98 22.142 -13.628 38.263 1.00 41.48 C ATOM 829 CD2 PHE A 98 22.578 -14.735 36.187 1.00 37.48 C ATOM 830 CE1 PHE A 98 20.893 -13.257 37.810 1.00 36.14 C ATOM 831 CE2 PHE A 98 21.321 -14.372 35.741 1.00 42.89 C ATOM 832 CZ PHE A 98 20.488 -13.613 36.541 1.00 43.61 C ATOM 833 H PHE A 98 23.436 -15.154 40.608 1.00 0.00 H ATOM 834 N ARG A 99 25.555 -16.994 40.676 1.00 36.20 N ATOM 835 CA ARG A 99 26.730 -17.629 41.251 1.00 42.91 C ATOM 836 C ARG A 99 27.242 -18.781 40.387 1.00 42.61 C ATOM 837 O ARG A 99 26.480 -19.627 39.913 1.00 42.09 O ATOM 838 CB ARG A 99 26.457 -18.192 42.659 1.00 42.73 C ATOM 839 CG ARG A 99 27.492 -19.280 42.987 1.00 46.49 C ATOM 840 CD ARG A 99 27.588 -19.607 44.426 1.00 54.92 C ATOM 841 NE ARG A 99 26.287 -19.880 44.957 1.00 66.78 N ATOM 842 CZ ARG A 99 26.077 -20.419 46.148 1.00 78.29 C ATOM 843 NH1 ARG A 99 27.123 -20.771 46.913 1.00 62.31 N ATOM 844 NH2 ARG A 99 24.818 -20.607 46.547 1.00 68.85 N ATOM 845 HE ARG A 99 25.459 -19.641 44.374 1.00 0.00 H ATOM 846 HH12 ARG A 99 26.963 -21.195 47.849 1.00 0.00 H ATOM 847 HH11 ARG A 99 28.093 -20.620 46.569 1.00 0.00 H ATOM 848 HH22 ARG A 99 24.625 -21.028 47.478 1.00 0.00 H ATOM 849 HH21 ARG A 99 24.029 -20.332 45.927 1.00 0.00 H ATOM 850 H ARG A 99 24.708 -16.845 41.261 1.00 0.00 H ATOM 851 N GLN A 100 28.549 -18.798 40.226 1.00 42.26 N ATOM 852 CA GLN A 100 29.234 -19.902 39.609 1.00 42.76 C ATOM 853 C GLN A 100 29.899 -20.696 40.731 1.00 49.83 C ATOM 854 O GLN A 100 30.638 -20.151 41.555 1.00 52.35 O ATOM 855 CB GLN A 100 30.234 -19.411 38.575 1.00 42.20 C ATOM 856 CG GLN A 100 29.589 -18.709 37.378 1.00 44.83 C ATOM 857 CD GLN A 100 30.626 -18.098 36.452 1.00 54.84 C ATOM 858 OE1 GLN A 100 31.306 -18.817 35.716 1.00 48.26 O ATOM 859 NE2 GLN A 100 30.788 -16.767 36.513 1.00 50.48 N ATOM 860 HE22 GLN A 100 30.192 -16.199 37.148 1.00 0.00 H ATOM 861 HE21 GLN A 100 31.510 -16.304 35.925 1.00 0.00 H ATOM 862 H GLN A 100 29.106 -17.984 40.557 1.00 0.00 H ATOM 863 N LYS A 101 29.587 -21.981 40.787 1.00 50.65 N ATOM 864 CA LYS A 101 30.165 -22.862 41.789 1.00 57.29 C ATOM 865 C LYS A 101 31.428 -23.555 41.283 1.00 56.98 C ATOM 866 O LYS A 101 32.259 -23.975 42.083 1.00 60.28 O ATOM 867 CB LYS A 101 29.142 -23.908 42.228 1.00 68.46 C ATOM 868 CG LYS A 101 28.035 -23.370 43.107 1.00 77.53 C ATOM 869 CD LYS A 101 27.176 -24.512 43.601 1.00108.10 C ATOM 870 CE LYS A 101 26.066 -24.049 44.520 1.00122.95 C ATOM 871 NZ LYS A 101 24.773 -23.954 43.799 1.00118.66 N ATOM 872 HZ1 LYS A 101 24.862 -23.273 43.018 1.00 0.00 H ATOM 873 HZ2 LYS A 101 24.520 -24.888 43.419 1.00 0.00 H ATOM 874 HZ3 LYS A 101 24.033 -23.634 44.457 1.00 0.00 H ATOM 875 H LYS A 101 28.912 -22.370 40.098 1.00 0.00 H ATOM 876 N THR A 102 31.586 -23.641 39.963 1.00 54.93 N ATOM 877 CA THR A 102 32.637 -24.458 39.351 1.00 62.35 C ATOM 878 C THR A 102 33.531 -23.675 38.398 1.00 57.28 C ATOM 879 O THR A 102 33.055 -22.874 37.610 1.00 50.03 O ATOM 880 CB THR A 102 32.041 -25.667 38.549 1.00 89.29 C ATOM 881 OG1 THR A 102 32.199 -25.446 37.144 1.00 97.08 O ATOM 882 CG2 THR A 102 30.567 -25.870 38.838 1.00 86.79 C ATOM 883 HG1 THR A 102 33.162 -25.356 36.932 1.00 0.00 H ATOM 884 H THR A 102 30.940 -23.109 39.345 1.00 0.00 H ATOM 885 N ALA A 103 34.830 -23.954 38.447 1.00 55.62 N ATOM 886 CA ALA A 103 35.780 -23.341 37.542 1.00 61.07 C ATOM 887 C ALA A 103 35.592 -23.992 36.187 1.00 73.50 C ATOM 888 O ALA A 103 35.000 -25.059 36.114 1.00 55.85 O ATOM 889 CB ALA A 103 37.198 -23.516 38.045 1.00 70.80 C ATOM 890 H ALA A 103 35.174 -24.632 39.156 1.00 0.00 H ATOM 891 N PRO A 104 36.033 -23.329 35.105 1.00 51.18 N ATOM 892 CA PRO A 104 36.558 -21.961 35.090 1.00 61.40 C ATOM 893 C PRO A 104 35.455 -20.915 35.270 1.00 56.91 C ATOM 894 O PRO A 104 34.339 -21.122 34.819 1.00 49.27 O ATOM 895 CB PRO A 104 37.168 -21.841 33.697 1.00 57.81 C ATOM 896 CG PRO A 104 36.290 -22.702 32.859 1.00 57.01 C ATOM 897 CD PRO A 104 35.916 -23.875 33.738 1.00 55.10 C ATOM 898 N LEU A 105 35.777 -19.811 35.925 1.00 55.01 N ATOM 899 CA LEU A 105 34.876 -18.667 35.988 1.00 45.54 C ATOM 900 C LEU A 105 34.619 -18.118 34.578 1.00 40.59 C ATOM 901 O LEU A 105 35.547 -17.908 33.801 1.00 44.78 O ATOM 902 CB LEU A 105 35.474 -17.573 36.891 1.00 44.54 C ATOM 903 CG LEU A 105 34.572 -16.384 37.256 1.00 49.57 C ATOM 904 CD1 LEU A 105 33.378 -16.840 38.106 1.00 42.69 C ATOM 905 CD2 LEU A 105 35.352 -15.309 37.988 1.00 55.66 C ATOM 906 H LEU A 105 36.697 -19.758 36.407 1.00 0.00 H ATOM 907 N LYS A 106 33.350 -17.947 34.244 1.00 42.59 N ATOM 908 CA LYS A 106 32.947 -17.289 33.018 1.00 49.64 C ATOM 909 C LYS A 106 32.591 -15.845 33.341 1.00 48.27 C ATOM 910 O LYS A 106 32.064 -15.554 34.409 1.00 42.21 O ATOM 911 CB LYS A 106 31.763 -18.005 32.385 1.00 45.46 C ATOM 912 CG LYS A 106 32.042 -19.491 32.079 1.00 58.90 C ATOM 913 CD LYS A 106 30.742 -20.299 32.083 1.00 80.02 C ATOM 914 CE LYS A 106 30.312 -20.760 30.677 1.00 83.63 C ATOM 915 NZ LYS A 106 29.779 -22.179 30.659 1.00 75.54 N ATOM 916 HZ1 LYS A 106 30.518 -22.830 30.994 1.00 0.00 H ATOM 917 HZ2 LYS A 106 28.949 -22.244 31.282 1.00 0.00 H ATOM 918 HZ3 LYS A 106 29.506 -22.433 29.688 1.00 0.00 H ATOM 919 H LYS A 106 32.613 -18.299 34.887 1.00 0.00 H ATOM 920 N LEU A 107 32.896 -14.943 32.428 1.00 45.28 N ATOM 921 CA LEU A 107 32.650 -13.520 32.660 1.00 39.55 C ATOM 922 C LEU A 107 31.160 -13.194 32.528 1.00 51.88 C ATOM 923 O LEU A 107 30.636 -12.354 33.257 1.00 46.36 O ATOM 924 CB LEU A 107 33.478 -12.662 31.699 1.00 39.82 C ATOM 925 CG LEU A 107 33.211 -11.138 31.784 1.00 45.10 C ATOM 926 CD1 LEU A 107 33.430 -10.583 33.212 1.00 34.79 C ATOM 927 CD2 LEU A 107 34.040 -10.364 30.781 1.00 39.88 C ATOM 928 H LEU A 107 33.318 -15.249 31.528 1.00 0.00 H ATOM 929 N ALA A 108 30.462 -13.882 31.637 1.00 41.88 N ATOM 930 CA ALA A 108 29.120 -13.447 31.274 1.00 62.33 C ATOM 931 C ALA A 108 28.158 -13.550 32.456 1.00 48.49 C ATOM 932 O ALA A 108 27.359 -12.669 32.653 1.00 42.42 O ATOM 933 CB ALA A 108 28.585 -14.246 30.047 1.00 52.46 C ATOM 934 H ALA A 108 30.871 -14.731 31.197 1.00 0.00 H ATOM 935 N PRO A 109 28.215 -14.637 33.236 1.00 49.10 N ATOM 936 CA PRO A 109 27.316 -14.609 34.391 1.00 38.98 C ATOM 937 C PRO A 109 27.611 -13.463 35.377 1.00 36.61 C ATOM 938 O PRO A 109 26.687 -13.011 36.059 1.00 35.35 O ATOM 939 CB PRO A 109 27.562 -15.970 35.068 1.00 44.75 C ATOM 940 CG PRO A 109 28.048 -16.869 33.919 1.00 38.48 C ATOM 941 CD PRO A 109 28.750 -15.988 32.952 1.00 48.18 C ATOM 942 N VAL A 110 28.871 -13.045 35.485 1.00 36.63 N ATOM 943 CA VAL A 110 29.214 -11.979 36.412 1.00 42.34 C ATOM 944 C VAL A 110 28.527 -10.682 35.938 1.00 34.00 C ATOM 945 O VAL A 110 27.873 -10.025 36.726 1.00 35.88 O ATOM 946 CB VAL A 110 30.740 -11.773 36.538 1.00 48.60 C ATOM 947 CG1 VAL A 110 31.057 -10.495 37.326 1.00 43.69 C ATOM 948 CG2 VAL A 110 31.414 -12.967 37.238 1.00 50.73 C ATOM 949 H VAL A 110 29.613 -13.483 34.903 1.00 0.00 H ATOM 950 N LEU A 111 28.666 -10.354 34.646 1.00 29.48 N ATOM 951 CA LEU A 111 28.086 -9.164 34.082 1.00 40.04 C ATOM 952 C LEU A 111 26.577 -9.209 34.091 1.00 38.37 C ATOM 953 O LEU A 111 25.928 -8.191 34.320 1.00 37.45 O ATOM 954 CB LEU A 111 28.581 -8.962 32.654 1.00 41.40 C ATOM 955 CG LEU A 111 30.083 -8.807 32.446 1.00 42.07 C ATOM 956 CD1 LEU A 111 30.409 -8.422 30.974 1.00 43.48 C ATOM 957 CD2 LEU A 111 30.608 -7.749 33.373 1.00 55.23 C ATOM 958 H LEU A 111 29.215 -10.984 34.027 1.00 0.00 H ATOM 959 N LEU A 112 26.020 -10.392 33.840 1.00 38.73 N ATOM 960 CA LEU A 112 24.571 -10.549 33.760 1.00 31.39 C ATOM 961 C LEU A 112 23.942 -10.342 35.116 1.00 26.43 C ATOM 962 O LEU A 112 22.899 -9.666 35.241 1.00 32.52 O ATOM 963 CB LEU A 112 24.192 -11.950 33.237 1.00 41.62 C ATOM 964 CG LEU A 112 22.836 -12.124 32.541 1.00 56.35 C ATOM 965 CD1 LEU A 112 22.312 -13.555 32.646 1.00 59.68 C ATOM 966 CD2 LEU A 112 21.757 -11.129 32.917 1.00 52.82 C ATOM 967 H LEU A 112 26.630 -11.222 33.698 1.00 0.00 H ATOM 968 N GLY A 113 24.543 -10.948 36.145 1.00 31.66 N ATOM 969 CA GLY A 113 24.007 -10.799 37.487 1.00 35.26 C ATOM 970 C GLY A 113 24.218 -9.380 38.051 1.00 39.40 C ATOM 971 O GLY A 113 23.437 -8.916 38.846 1.00 35.30 O ATOM 972 H GLY A 113 25.393 -11.525 35.985 1.00 0.00 H ATOM 973 N THR A 114 25.289 -8.708 37.648 1.00 33.03 N ATOM 974 CA THR A 114 25.559 -7.337 38.073 1.00 30.64 C ATOM 975 C THR A 114 24.496 -6.417 37.434 1.00 24.50 C ATOM 976 O THR A 114 23.766 -5.739 38.134 1.00 29.46 O ATOM 977 CB THR A 114 26.976 -6.962 37.689 1.00 32.77 C ATOM 978 OG1 THR A 114 27.893 -7.782 38.451 1.00 43.92 O ATOM 979 CG2 THR A 114 27.271 -5.467 37.913 1.00 38.87 C ATOM 980 HG1 THR A 114 27.729 -8.736 38.246 1.00 0.00 H ATOM 981 H THR A 114 25.961 -9.175 37.006 1.00 0.00 H ATOM 982 N PHE A 115 24.299 -6.579 36.132 1.00 31.30 N ATOM 983 CA PHE A 115 23.332 -5.812 35.378 1.00 36.52 C ATOM 984 C PHE A 115 21.939 -5.956 35.996 1.00 48.73 C ATOM 985 O PHE A 115 21.271 -4.942 36.329 1.00 32.76 O ATOM 986 CB PHE A 115 23.352 -6.258 33.900 1.00 24.52 C ATOM 987 CG PHE A 115 22.364 -5.515 33.039 1.00 41.67 C ATOM 988 CD1 PHE A 115 22.703 -4.269 32.455 1.00 31.96 C ATOM 989 CD2 PHE A 115 21.079 -6.042 32.822 1.00 35.84 C ATOM 990 CE1 PHE A 115 21.774 -3.571 31.674 1.00 39.56 C ATOM 991 CE2 PHE A 115 20.152 -5.366 32.028 1.00 29.62 C ATOM 992 CZ PHE A 115 20.497 -4.108 31.460 1.00 45.12 C ATOM 993 H PHE A 115 24.867 -7.291 35.630 1.00 0.00 H ATOM 994 N VAL A 116 21.501 -7.203 36.190 1.00 29.15 N ATOM 995 CA VAL A 116 20.160 -7.422 36.701 1.00 25.42 C ATOM 996 C VAL A 116 19.945 -6.831 38.108 1.00 25.90 C ATOM 997 O VAL A 116 18.870 -6.261 38.421 1.00 31.44 O ATOM 998 CB VAL A 116 19.832 -8.941 36.719 1.00 48.48 C ATOM 999 CG1 VAL A 116 18.634 -9.218 37.600 1.00 39.42 C ATOM 1000 CG2 VAL A 116 19.592 -9.451 35.259 1.00 35.74 C ATOM 1001 H VAL A 116 22.118 -8.013 35.976 1.00 0.00 H ATOM 1002 N ALA A 117 20.944 -6.982 38.961 1.00 33.26 N ATOM 1003 CA ALA A 117 20.812 -6.526 40.354 1.00 38.04 C ATOM 1004 C ALA A 117 20.881 -4.972 40.519 1.00 32.21 C ATOM 1005 O ALA A 117 20.148 -4.377 41.347 1.00 32.44 O ATOM 1006 CB ALA A 117 21.868 -7.162 41.177 1.00 33.15 C ATOM 1007 H ALA A 117 21.830 -7.426 38.645 1.00 0.00 H ATOM 1008 N VAL A 118 21.763 -4.322 39.759 1.00 37.28 N ATOM 1009 CA VAL A 118 21.869 -2.861 39.814 1.00 32.15 C ATOM 1010 C VAL A 118 20.575 -2.296 39.231 1.00 29.24 C ATOM 1011 O VAL A 118 19.991 -1.389 39.792 1.00 32.97 O ATOM 1012 CB VAL A 118 23.080 -2.339 39.053 1.00 35.98 C ATOM 1013 CG1 VAL A 118 22.964 -0.811 38.818 1.00 41.01 C ATOM 1014 CG2 VAL A 118 24.355 -2.710 39.806 1.00 28.70 C ATOM 1015 H VAL A 118 22.383 -4.858 39.119 1.00 0.00 H ATOM 1016 N LEU A 119 20.122 -2.890 38.124 1.00 42.17 N ATOM 1017 CA LEU A 119 18.845 -2.541 37.541 1.00 43.87 C ATOM 1018 C LEU A 119 17.684 -2.697 38.516 1.00 44.80 C ATOM 1019 O LEU A 119 16.737 -1.859 38.517 1.00 33.91 O ATOM 1020 CB LEU A 119 18.560 -3.393 36.317 1.00 36.86 C ATOM 1021 CG LEU A 119 17.141 -3.267 35.736 1.00 53.87 C ATOM 1022 CD1 LEU A 119 16.925 -1.853 35.120 1.00 45.39 C ATOM 1023 CD2 LEU A 119 16.858 -4.357 34.719 1.00 47.55 C ATOM 1024 H LEU A 119 20.703 -3.623 37.669 1.00 0.00 H ATOM 1025 N LEU A 120 17.695 -3.794 39.277 1.00 36.92 N ATOM 1026 CA LEU A 120 16.596 -4.044 40.209 1.00 40.05 C ATOM 1027 C LEU A 120 16.691 -2.999 41.310 1.00 29.95 C ATOM 1028 O LEU A 120 15.692 -2.445 41.749 1.00 32.91 O ATOM 1029 CB LEU A 120 16.632 -5.442 40.814 1.00 39.42 C ATOM 1030 CG LEU A 120 15.515 -5.750 41.825 1.00 42.12 C ATOM 1031 CD1 LEU A 120 14.137 -5.565 41.208 1.00 37.81 C ATOM 1032 CD2 LEU A 120 15.674 -7.143 42.377 1.00 38.49 C ATOM 1033 H LEU A 120 18.483 -4.469 39.207 1.00 0.00 H ATOM 1034 N LYS A 121 17.904 -2.740 41.757 1.00 30.94 N ATOM 1035 CA LYS A 121 18.075 -1.705 42.749 1.00 36.52 C ATOM 1036 C LYS A 121 17.532 -0.365 42.207 1.00 37.43 C ATOM 1037 O LYS A 121 16.764 0.289 42.898 1.00 33.20 O ATOM 1038 CB LYS A 121 19.535 -1.573 43.162 1.00 37.52 C ATOM 1039 CG LYS A 121 19.689 -0.798 44.451 1.00 37.00 C ATOM 1040 CD LYS A 121 21.107 -0.725 44.940 1.00 41.13 C ATOM 1041 CE LYS A 121 21.150 -0.304 46.405 1.00 43.70 C ATOM 1042 NZ LYS A 121 21.227 1.165 46.691 1.00 43.70 N ATOM 1043 HZ1 LYS A 121 22.090 1.556 46.263 1.00 0.00 H ATOM 1044 HZ2 LYS A 121 20.394 1.639 46.288 1.00 0.00 H ATOM 1045 HZ3 LYS A 121 21.250 1.316 47.720 1.00 0.00 H ATOM 1046 H LYS A 121 18.724 -3.272 41.401 1.00 0.00 H ATOM 1047 N TYR A 122 17.865 0.031 40.972 1.00 36.21 N ATOM 1048 CA TYR A 122 17.576 1.431 40.567 1.00 29.34 C ATOM 1049 C TYR A 122 16.149 1.521 40.054 1.00 28.27 C ATOM 1050 O TYR A 122 15.540 2.585 40.024 1.00 40.33 O ATOM 1051 CB TYR A 122 18.668 1.935 39.607 1.00 27.47 C ATOM 1052 CG TYR A 122 19.763 2.485 40.508 1.00 35.44 C ATOM 1053 CD1 TYR A 122 20.756 1.664 41.049 1.00 40.81 C ATOM 1054 CD2 TYR A 122 19.722 3.818 40.940 1.00 32.65 C ATOM 1055 CE1 TYR A 122 21.741 2.194 41.976 1.00 31.94 C ATOM 1056 CE2 TYR A 122 20.650 4.318 41.834 1.00 33.11 C ATOM 1057 CZ TYR A 122 21.653 3.523 42.347 1.00 39.15 C ATOM 1058 OH TYR A 122 22.545 4.108 43.235 1.00 39.01 O ATOM 1059 HH TYR A 122 23.209 3.434 43.526 1.00 0.00 H ATOM 1060 H TYR A 122 18.318 -0.629 40.308 1.00 0.00 H ATOM 1061 N PHE A 123 15.557 0.367 39.799 1.00 30.22 N ATOM 1062 CA PHE A 123 14.120 0.290 39.591 1.00 28.22 C ATOM 1063 C PHE A 123 13.361 0.721 40.856 1.00 36.54 C ATOM 1064 O PHE A 123 12.421 1.499 40.750 1.00 40.87 O ATOM 1065 CB PHE A 123 13.682 -1.142 39.195 1.00 35.06 C ATOM 1066 CG PHE A 123 12.184 -1.294 39.115 1.00 30.31 C ATOM 1067 CD1 PHE A 123 11.465 -0.623 38.140 1.00 42.35 C ATOM 1068 CD2 PHE A 123 11.488 -2.056 40.044 1.00 42.47 C ATOM 1069 CE1 PHE A 123 10.084 -0.709 38.080 1.00 52.21 C ATOM 1070 CE2 PHE A 123 10.113 -2.147 39.978 1.00 54.00 C ATOM 1071 CZ PHE A 123 9.403 -1.468 38.986 1.00 46.89 C ATOM 1072 H PHE A 123 16.129 -0.500 39.746 1.00 0.00 H ATOM 1073 N PHE A 124 13.739 0.206 42.042 1.00 35.43 N ATOM 1074 CA PHE A 124 13.085 0.642 43.284 1.00 34.61 C ATOM 1075 C PHE A 124 13.342 2.132 43.606 1.00 39.26 C ATOM 1076 O PHE A 124 12.430 2.820 44.067 1.00 39.00 O ATOM 1077 CB PHE A 124 13.526 -0.221 44.474 1.00 43.48 C ATOM 1078 CG PHE A 124 12.966 -1.642 44.444 1.00 36.83 C ATOM 1079 CD1 PHE A 124 11.603 -1.871 44.436 1.00 33.61 C ATOM 1080 CD2 PHE A 124 13.815 -2.726 44.398 1.00 32.57 C ATOM 1081 CE1 PHE A 124 11.115 -3.164 44.395 1.00 36.43 C ATOM 1082 CE2 PHE A 124 13.328 -4.001 44.366 1.00 37.56 C ATOM 1083 CZ PHE A 124 11.991 -4.224 44.364 1.00 32.64 C ATOM 1084 H PHE A 124 14.498 -0.504 42.079 1.00 0.00 H ATOM 1085 N HIS A 125 14.569 2.619 43.400 1.00 29.86 N ATOM 1086 CA HIS A 125 14.849 4.056 43.530 1.00 42.14 C ATOM 1087 C HIS A 125 14.004 4.886 42.566 1.00 37.91 C ATOM 1088 O HIS A 125 13.499 5.953 42.924 1.00 37.08 O ATOM 1089 CB HIS A 125 16.320 4.362 43.296 1.00 27.78 C ATOM 1090 CG HIS A 125 17.218 3.778 44.336 1.00 38.67 C ATOM 1091 ND1 HIS A 125 17.056 4.001 45.680 1.00 38.81 N ATOM 1092 CD2 HIS A 125 18.284 2.934 44.217 1.00 43.89 C ATOM 1093 CE1 HIS A 125 17.997 3.350 46.354 1.00 39.16 C ATOM 1094 NE2 HIS A 125 18.754 2.705 45.484 1.00 29.85 N ATOM 1095 H HIS A 125 15.340 1.970 43.143 1.00 0.00 H ATOM 1096 N PHE A 126 13.823 4.372 41.363 1.00 32.81 N ATOM 1097 CA PHE A 126 12.968 5.023 40.375 1.00 47.98 C ATOM 1098 C PHE A 126 11.516 5.082 40.832 1.00 46.62 C ATOM 1099 O PHE A 126 10.839 6.076 40.602 1.00 48.03 O ATOM 1100 CB PHE A 126 13.078 4.299 39.007 1.00 35.92 C ATOM 1101 CG PHE A 126 11.910 4.541 38.079 1.00 47.75 C ATOM 1102 CD1 PHE A 126 11.725 5.788 37.461 1.00 43.61 C ATOM 1103 CD2 PHE A 126 11.010 3.509 37.797 1.00 39.80 C ATOM 1104 CE1 PHE A 126 10.660 5.992 36.576 1.00 42.68 C ATOM 1105 CE2 PHE A 126 9.946 3.702 36.931 1.00 41.40 C ATOM 1106 CZ PHE A 126 9.765 4.944 36.311 1.00 51.20 C ATOM 1107 H PHE A 126 14.301 3.483 41.114 1.00 0.00 H ATOM 1108 N ILE A 127 11.021 4.027 41.462 1.00 39.89 N ATOM 1109 CA ILE A 127 9.666 4.080 42.028 1.00 36.83 C ATOM 1110 C ILE A 127 9.636 5.070 43.172 1.00 44.86 C ATOM 1111 O ILE A 127 8.672 5.844 43.269 1.00 36.54 O ATOM 1112 CB ILE A 127 9.168 2.692 42.526 1.00 42.85 C ATOM 1113 CG1 ILE A 127 8.985 1.759 41.336 1.00 43.58 C ATOM 1114 CG2 ILE A 127 7.852 2.803 43.313 1.00 40.29 C ATOM 1115 CD1 ILE A 127 8.124 2.316 40.233 1.00 54.75 C ATOM 1116 H ILE A 127 11.591 3.162 41.556 1.00 0.00 H ATOM 1117 N ALA A 128 10.677 5.056 44.011 1.00 31.91 N ATOM 1118 CA ALA A 128 10.807 6.043 45.092 1.00 46.17 C ATOM 1119 C ALA A 128 10.778 7.470 44.550 1.00 40.72 C ATOM 1120 O ALA A 128 10.208 8.370 45.191 1.00 41.43 O ATOM 1121 CB ALA A 128 12.077 5.853 45.853 1.00 35.56 C ATOM 1122 H ALA A 128 11.412 4.329 43.896 1.00 0.00 H ATOM 1123 N GLY A 129 11.438 7.667 43.406 1.00 41.12 N ATOM 1124 CA GLY A 129 11.673 8.999 42.870 1.00 37.85 C ATOM 1125 C GLY A 129 10.337 9.602 42.528 1.00 37.56 C ATOM 1126 O GLY A 129 10.057 10.757 42.827 1.00 37.91 O ATOM 1127 H GLY A 129 11.795 6.843 42.882 1.00 0.00 H ATOM 1128 N ILE A 130 9.485 8.766 41.948 1.00 40.66 N ATOM 1129 CA ILE A 130 8.142 9.147 41.601 1.00 37.24 C ATOM 1130 C ILE A 130 7.284 9.483 42.806 1.00 47.63 C ATOM 1131 O ILE A 130 6.530 10.443 42.789 1.00 47.28 O ATOM 1132 CB ILE A 130 7.415 8.032 40.807 1.00 41.60 C ATOM 1133 CG1 ILE A 130 8.147 7.759 39.494 1.00 41.11 C ATOM 1134 CG2 ILE A 130 5.958 8.486 40.534 1.00 63.88 C ATOM 1135 CD1 ILE A 130 7.608 6.595 38.693 1.00 43.96 C ATOM 1136 H ILE A 130 9.801 7.798 41.736 1.00 0.00 H ATOM 1137 N ILE A 131 7.359 8.692 43.861 1.00 53.86 N ATOM 1138 CA ILE A 131 6.437 8.921 44.957 1.00 44.10 C ATOM 1139 C ILE A 131 6.996 9.930 45.938 1.00 42.30 C ATOM 1140 O ILE A 131 6.256 10.667 46.554 1.00 51.57 O ATOM 1141 CB ILE A 131 6.135 7.636 45.707 1.00 54.95 C ATOM 1142 CG1 ILE A 131 5.546 6.590 44.758 1.00 59.94 C ATOM 1143 CG2 ILE A 131 5.195 7.902 46.892 1.00 54.06 C ATOM 1144 CD1 ILE A 131 5.840 5.185 45.209 1.00 49.89 C ATOM 1145 H ILE A 131 8.060 7.925 43.905 1.00 0.00 H ATOM 1146 N PHE A 132 8.305 9.971 46.094 1.00 46.27 N ATOM 1147 CA PHE A 132 8.855 10.694 47.226 1.00 54.58 C ATOM 1148 C PHE A 132 9.688 11.908 46.841 1.00 53.35 C ATOM 1149 O PHE A 132 9.868 12.780 47.670 1.00 48.23 O ATOM 1150 CB PHE A 132 9.689 9.727 48.072 1.00 56.23 C ATOM 1151 CG PHE A 132 8.877 8.642 48.699 1.00 59.56 C ATOM 1152 CD1 PHE A 132 7.884 8.962 49.626 1.00 68.24 C ATOM 1153 CD2 PHE A 132 9.089 7.303 48.362 1.00 58.29 C ATOM 1154 CE1 PHE A 132 7.122 7.964 50.221 1.00 62.92 C ATOM 1155 CE2 PHE A 132 8.329 6.287 48.946 1.00 55.27 C ATOM 1156 CZ PHE A 132 7.344 6.620 49.899 1.00 51.99 C ATOM 1157 H PHE A 132 8.933 9.493 45.417 1.00 0.00 H ATOM 1158 N TRP A 133 10.169 11.976 45.594 1.00 48.36 N ATOM 1159 CA TRP A 133 11.143 13.002 45.212 1.00 49.62 C ATOM 1160 C TRP A 133 10.664 13.959 44.123 1.00 58.85 C ATOM 1161 O TRP A 133 11.453 14.762 43.631 1.00 41.53 O ATOM 1162 CB TRP A 133 12.463 12.341 44.751 1.00 44.73 C ATOM 1163 CG TRP A 133 13.120 11.544 45.862 1.00 47.86 C ATOM 1164 CD1 TRP A 133 12.961 10.205 46.112 1.00 46.19 C ATOM 1165 CD2 TRP A 133 13.992 12.046 46.900 1.00 45.02 C ATOM 1166 NE1 TRP A 133 13.683 9.848 47.236 1.00 54.95 N ATOM 1167 CE2 TRP A 133 14.313 10.955 47.739 1.00 43.25 C ATOM 1168 CE3 TRP A 133 14.542 13.297 47.185 1.00 51.53 C ATOM 1169 CZ2 TRP A 133 15.177 11.076 48.823 1.00 45.99 C ATOM 1170 CZ3 TRP A 133 15.382 13.422 48.296 1.00 64.10 C ATOM 1171 CH2 TRP A 133 15.699 12.310 49.089 1.00 61.43 C ATOM 1172 HE1 TRP A 133 13.739 8.890 47.636 1.00 0.00 H ATOM 1173 H TRP A 133 9.846 11.289 44.884 1.00 0.00 H ATOM 1174 N SER A 134 9.390 13.914 43.758 1.00 54.87 N ATOM 1175 CA SER A 134 8.973 14.687 42.606 1.00 51.14 C ATOM 1176 C SER A 134 9.083 16.202 42.846 1.00 44.20 C ATOM 1177 O SER A 134 9.262 16.930 41.881 1.00 53.41 O ATOM 1178 CB SER A 134 7.549 14.340 42.177 1.00 42.50 C ATOM 1179 OG SER A 134 6.599 14.668 43.172 1.00 49.64 O ATOM 1180 HG SER A 134 6.803 14.165 44.000 1.00 0.00 H ATOM 1181 H SER A 134 8.706 13.337 44.287 1.00 0.00 H ATOM 1182 N GLN A 135 9.021 16.654 44.099 1.00 46.25 N ATOM 1183 CA GLN A 135 9.144 18.079 44.418 1.00 58.52 C ATOM 1184 C GLN A 135 10.404 18.695 43.831 1.00 50.20 C ATOM 1185 O GLN A 135 10.461 19.912 43.635 1.00 60.37 O ATOM 1186 CB GLN A 135 9.133 18.312 45.945 1.00 52.00 C ATOM 1187 CG GLN A 135 10.161 17.513 46.713 1.00 99.99 C ATOM 1188 CD GLN A 135 9.659 16.142 47.202 1.00 90.07 C ATOM 1189 OE1 GLN A 135 8.817 15.480 46.570 1.00 63.36 O ATOM 1190 NE2 GLN A 135 10.195 15.712 48.336 1.00109.13 N ATOM 1191 HE22 GLN A 135 10.896 16.296 48.834 1.00 0.00 H ATOM 1192 HE21 GLN A 135 9.914 14.790 48.727 1.00 0.00 H ATOM 1193 H GLN A 135 8.881 15.974 44.874 1.00 0.00 H ATOM 1194 N TYR A 136 11.406 17.852 43.543 1.00 48.00 N ATOM 1195 CA TYR A 136 12.677 18.310 42.974 1.00 55.98 C ATOM 1196 C TYR A 136 12.789 18.173 41.455 1.00 58.02 C ATOM 1197 O TYR A 136 13.844 18.453 40.873 1.00 57.47 O ATOM 1198 CB TYR A 136 13.821 17.536 43.613 1.00 73.55 C ATOM 1199 CG TYR A 136 13.857 17.719 45.101 1.00 97.35 C ATOM 1200 CD1 TYR A 136 14.132 18.965 45.640 1.00 81.69 C ATOM 1201 CD2 TYR A 136 13.615 16.649 45.968 1.00 77.52 C ATOM 1202 CE1 TYR A 136 14.163 19.160 46.992 1.00 84.26 C ATOM 1203 CE2 TYR A 136 13.646 16.835 47.336 1.00 73.30 C ATOM 1204 CZ TYR A 136 13.925 18.104 47.836 1.00 85.90 C ATOM 1205 OH TYR A 136 13.960 18.336 49.182 1.00 88.11 O ATOM 1206 HH TYR A 136 14.172 19.289 49.346 1.00 0.00 H ATOM 1207 H TYR A 136 11.277 16.837 43.730 1.00 0.00 H ATOM 1208 N ALA A 137 11.730 17.704 40.806 1.00 51.64 N ATOM 1209 CA ALA A 137 11.754 17.554 39.347 1.00 58.09 C ATOM 1210 C ALA A 137 12.106 18.882 38.631 1.00 67.81 C ATOM 1211 O ALA A 137 11.559 19.978 38.950 1.00 55.32 O ATOM 1212 CB ALA A 137 10.403 17.022 38.868 1.00 58.52 C ATOM 1213 H ALA A 137 10.875 17.441 41.337 1.00 0.00 H ATOM 1214 N TRP A 138 13.032 18.781 37.680 1.00 65.74 N ATOM 1215 CA TRP A 138 13.499 19.936 36.904 1.00 50.61 C ATOM 1216 C TRP A 138 12.336 20.682 36.276 1.00 52.16 C ATOM 1217 O TRP A 138 11.280 20.120 36.006 1.00 66.73 O ATOM 1218 CB TRP A 138 14.488 19.483 35.810 1.00 63.84 C ATOM 1219 CG TRP A 138 15.682 18.697 36.351 1.00 48.75 C ATOM 1220 CD1 TRP A 138 16.489 19.070 37.385 1.00 72.63 C ATOM 1221 CD2 TRP A 138 16.209 17.452 35.867 1.00 52.40 C ATOM 1222 NE1 TRP A 138 17.457 18.132 37.605 1.00 65.09 N ATOM 1223 CE2 TRP A 138 17.323 17.131 36.686 1.00 49.41 C ATOM 1224 CE3 TRP A 138 15.835 16.567 34.852 1.00 47.36 C ATOM 1225 CZ2 TRP A 138 18.066 15.969 36.516 1.00 53.44 C ATOM 1226 CZ3 TRP A 138 16.583 15.399 34.683 1.00 44.59 C ATOM 1227 CH2 TRP A 138 17.693 15.119 35.511 1.00 48.06 C ATOM 1228 HE1 TRP A 138 18.180 18.173 38.352 1.00 0.00 H ATOM 1229 H TRP A 138 13.441 17.846 37.479 1.00 0.00 H ATOM 1230 N LYS A 139 12.530 21.973 36.046 1.00 58.62 N ATOM 1231 CA LYS A 139 11.504 22.795 35.426 1.00 57.52 C ATOM 1232 C LYS A 139 11.017 22.146 34.119 1.00 56.34 C ATOM 1233 O LYS A 139 11.814 21.813 33.246 1.00 60.47 O ATOM 1234 CB LYS A 139 12.050 24.210 35.195 1.00 61.65 C ATOM 1235 CG LYS A 139 12.674 24.819 36.472 1.00 76.50 C ATOM 1236 CD LYS A 139 13.011 26.319 36.302 1.00 85.05 C ATOM 1237 CE LYS A 139 13.985 26.833 37.363 1.00 90.19 C ATOM 1238 NZ LYS A 139 13.943 28.358 37.466 1.00102.40 N ATOM 1239 HZ1 LYS A 139 14.203 28.773 36.549 1.00 0.00 H ATOM 1240 HZ2 LYS A 139 12.982 28.660 37.725 1.00 0.00 H ATOM 1241 HZ3 LYS A 139 14.615 28.674 38.194 1.00 0.00 H ATOM 1242 H LYS A 139 13.436 22.407 36.315 1.00 0.00 H ATOM 1243 N GLY A 140 9.705 21.921 34.005 1.00 75.94 N ATOM 1244 CA GLY A 140 9.143 21.337 32.790 1.00 67.27 C ATOM 1245 C GLY A 140 9.161 19.821 32.719 1.00 72.37 C ATOM 1246 O GLY A 140 8.610 19.242 31.783 1.00 72.42 O ATOM 1247 H GLY A 140 9.074 22.166 34.794 1.00 0.00 H ATOM 1248 N TRP A 141 9.772 19.172 33.699 1.00 74.19 N ATOM 1249 CA TRP A 141 9.765 17.689 33.752 1.00 69.81 C ATOM 1250 C TRP A 141 8.669 17.138 34.650 1.00 54.10 C ATOM 1251 O TRP A 141 8.556 17.523 35.801 1.00 55.88 O ATOM 1252 CB TRP A 141 11.106 17.151 34.246 1.00 56.46 C ATOM 1253 CG TRP A 141 12.205 17.310 33.266 1.00 49.75 C ATOM 1254 CD1 TRP A 141 12.701 18.487 32.769 1.00 52.38 C ATOM 1255 CD2 TRP A 141 12.958 16.260 32.645 1.00 49.23 C ATOM 1256 NE1 TRP A 141 13.722 18.226 31.884 1.00 57.50 N ATOM 1257 CE2 TRP A 141 13.903 16.870 31.793 1.00 60.29 C ATOM 1258 CE3 TRP A 141 12.923 14.864 32.726 1.00 47.19 C ATOM 1259 CZ2 TRP A 141 14.807 16.128 31.024 1.00 60.86 C ATOM 1260 CZ3 TRP A 141 13.812 14.140 31.990 1.00 51.15 C ATOM 1261 CH2 TRP A 141 14.746 14.768 31.134 1.00 61.01 C ATOM 1262 HE1 TRP A 141 14.269 18.943 31.367 1.00 0.00 H ATOM 1263 H TRP A 141 10.263 19.709 34.442 1.00 0.00 H ATOM 1264 N GLY A 142 7.851 16.238 34.128 1.00 51.86 N ATOM 1265 CA GLY A 142 6.993 15.430 34.984 1.00 45.58 C ATOM 1266 C GLY A 142 7.822 14.507 35.874 1.00 51.19 C ATOM 1267 O GLY A 142 8.997 14.263 35.615 1.00 48.98 O ATOM 1268 H GLY A 142 7.821 16.106 33.097 1.00 0.00 H ATOM 1269 N ALA A 143 7.180 13.992 36.911 1.00 48.48 N ATOM 1270 CA ALA A 143 7.775 13.152 37.930 1.00 51.64 C ATOM 1271 C ALA A 143 8.362 11.826 37.388 1.00 47.93 C ATOM 1272 O ALA A 143 9.491 11.488 37.691 1.00 48.87 O ATOM 1273 CB ALA A 143 6.728 12.862 38.982 1.00 50.90 C ATOM 1274 H ALA A 143 6.167 14.208 37.001 1.00 0.00 H ATOM 1275 N VAL A 144 7.588 11.099 36.589 1.00 50.11 N ATOM 1276 CA VAL A 144 8.036 9.832 36.030 1.00 43.82 C ATOM 1277 C VAL A 144 9.284 10.067 35.165 1.00 47.71 C ATOM 1278 O VAL A 144 10.310 9.375 35.336 1.00 47.69 O ATOM 1279 CB VAL A 144 6.899 9.125 35.222 1.00 53.08 C ATOM 1280 CG1 VAL A 144 7.379 7.816 34.610 1.00 54.72 C ATOM 1281 CG2 VAL A 144 5.745 8.816 36.117 1.00 50.89 C ATOM 1282 H VAL A 144 6.635 11.445 36.357 1.00 0.00 H ATOM 1283 N ALA A 145 9.218 11.062 34.274 1.00 43.78 N ATOM 1284 CA ALA A 145 10.352 11.382 33.398 1.00 48.37 C ATOM 1285 C ALA A 145 11.578 11.771 34.214 1.00 49.27 C ATOM 1286 O ALA A 145 12.667 11.228 34.038 1.00 47.53 O ATOM 1287 CB ALA A 145 9.991 12.532 32.447 1.00 46.16 C ATOM 1288 H ALA A 145 8.344 11.621 34.200 1.00 0.00 H ATOM 1289 N TYR A 146 11.394 12.769 35.075 1.00 43.53 N ATOM 1290 CA TYR A 146 12.428 13.121 36.020 1.00 38.13 C ATOM 1291 C TYR A 146 13.089 11.914 36.701 1.00 35.97 C ATOM 1292 O TYR A 146 14.312 11.845 36.754 1.00 45.06 O ATOM 1293 CB TYR A 146 11.864 14.001 37.093 1.00 39.47 C ATOM 1294 CG TYR A 146 12.853 14.404 38.128 1.00 42.71 C ATOM 1295 CD1 TYR A 146 14.042 15.042 37.781 1.00 41.30 C ATOM 1296 CD2 TYR A 146 12.583 14.194 39.473 1.00 42.35 C ATOM 1297 CE1 TYR A 146 14.946 15.439 38.746 1.00 41.58 C ATOM 1298 CE2 TYR A 146 13.470 14.602 40.443 1.00 48.99 C ATOM 1299 CZ TYR A 146 14.650 15.215 40.087 1.00 48.37 C ATOM 1300 OH TYR A 146 15.515 15.597 41.097 1.00 51.36 O ATOM 1301 HH TYR A 146 15.786 14.799 41.617 1.00 0.00 H ATOM 1302 H TYR A 146 10.499 13.299 35.067 1.00 0.00 H ATOM 1303 N SER A 147 12.279 11.045 37.315 1.00 40.05 N ATOM 1304 CA SER A 147 12.815 9.914 38.087 1.00 47.45 C ATOM 1305 C SER A 147 13.553 8.933 37.185 1.00 40.34 C ATOM 1306 O SER A 147 14.537 8.329 37.592 1.00 33.84 O ATOM 1307 CB SER A 147 11.709 9.178 38.836 1.00 43.79 C ATOM 1308 OG SER A 147 12.278 8.253 39.754 1.00 39.54 O ATOM 1309 HG SER A 147 11.554 7.780 40.236 1.00 0.00 H ATOM 1310 H SER A 147 11.249 11.172 37.245 1.00 0.00 H ATOM 1311 N LEU A 148 13.096 8.819 35.945 1.00 46.72 N ATOM 1312 CA LEU A 148 13.717 7.920 34.993 1.00 44.50 C ATOM 1313 C LEU A 148 15.131 8.376 34.670 1.00 46.47 C ATOM 1314 O LEU A 148 16.089 7.581 34.705 1.00 43.54 O ATOM 1315 CB LEU A 148 12.864 7.815 33.743 1.00 53.83 C ATOM 1316 CG LEU A 148 13.361 6.856 32.663 1.00 57.09 C ATOM 1317 CD1 LEU A 148 13.499 5.436 33.204 1.00 47.11 C ATOM 1318 CD2 LEU A 148 12.376 6.910 31.481 1.00 56.18 C ATOM 1319 H LEU A 148 12.276 9.386 35.650 1.00 0.00 H ATOM 1320 N ALA A 149 15.283 9.665 34.423 1.00 38.94 N ATOM 1321 CA ALA A 149 16.580 10.222 34.047 1.00 30.25 C ATOM 1322 C ALA A 149 17.564 10.148 35.181 1.00 35.52 C ATOM 1323 O ALA A 149 18.686 9.702 35.003 1.00 40.62 O ATOM 1324 CB ALA A 149 16.448 11.699 33.598 1.00 35.89 C ATOM 1325 H ALA A 149 14.461 10.297 34.498 1.00 0.00 H ATOM 1326 N VAL A 150 17.159 10.659 36.338 1.00 37.43 N ATOM 1327 CA VAL A 150 18.011 10.616 37.505 1.00 38.50 C ATOM 1328 C VAL A 150 18.389 9.178 37.820 1.00 40.24 C ATOM 1329 O VAL A 150 19.582 8.872 37.948 1.00 39.78 O ATOM 1330 CB VAL A 150 17.347 11.244 38.731 1.00 33.05 C ATOM 1331 CG1 VAL A 150 18.140 10.948 39.990 1.00 32.37 C ATOM 1332 CG2 VAL A 150 17.175 12.815 38.529 1.00 45.80 C ATOM 1333 H VAL A 150 16.217 11.095 36.405 1.00 0.00 H ATOM 1334 N ASN A 151 17.397 8.299 37.977 1.00 41.52 N ATOM 1335 CA ASN A 151 17.731 6.973 38.509 1.00 48.54 C ATOM 1336 C ASN A 151 18.166 6.003 37.365 1.00 32.88 C ATOM 1337 O ASN A 151 19.091 5.183 37.548 1.00 37.18 O ATOM 1338 CB ASN A 151 16.565 6.426 39.336 1.00 40.34 C ATOM 1339 CG ASN A 151 16.317 7.236 40.590 1.00 39.73 C ATOM 1340 OD1 ASN A 151 17.168 7.294 41.482 1.00 31.65 O ATOM 1341 ND2 ASN A 151 15.144 7.857 40.679 1.00 34.57 N ATOM 1342 HD22 ASN A 151 14.455 7.781 39.903 1.00 0.00 H ATOM 1343 HD21 ASN A 151 14.916 8.418 41.524 1.00 0.00 H ATOM 1344 H ASN A 151 16.418 8.546 37.730 1.00 0.00 H ATOM 1345 N GLY A 152 17.558 6.128 36.188 1.00 37.95 N ATOM 1346 CA GLY A 152 18.083 5.437 34.999 1.00 29.80 C ATOM 1347 C GLY A 152 19.559 5.787 34.829 1.00 33.71 C ATOM 1348 O GLY A 152 20.385 4.899 34.651 1.00 35.04 O ATOM 1349 H GLY A 152 16.706 6.718 36.108 1.00 0.00 H ATOM 1350 N ILE A 153 19.939 7.063 34.980 1.00 34.82 N ATOM 1351 CA ILE A 153 21.349 7.404 34.741 1.00 32.38 C ATOM 1352 C ILE A 153 22.250 6.914 35.890 1.00 43.47 C ATOM 1353 O ILE A 153 23.308 6.332 35.623 1.00 30.72 O ATOM 1354 CB ILE A 153 21.556 8.914 34.475 1.00 38.59 C ATOM 1355 CG1 ILE A 153 20.937 9.303 33.132 1.00 37.05 C ATOM 1356 CG2 ILE A 153 23.061 9.281 34.399 1.00 35.44 C ATOM 1357 CD1 ILE A 153 20.858 10.880 32.921 1.00 35.20 C ATOM 1358 H ILE A 153 19.254 7.794 35.259 1.00 0.00 H ATOM 1359 N SER A 154 21.844 7.091 37.150 1.00 38.34 N ATOM 1360 CA SER A 154 22.589 6.504 38.255 1.00 32.20 C ATOM 1361 C SER A 154 22.803 5.003 38.104 1.00 32.70 C ATOM 1362 O SER A 154 23.895 4.476 38.357 1.00 31.81 O ATOM 1363 CB SER A 154 21.882 6.767 39.579 1.00 28.23 C ATOM 1364 OG SER A 154 21.967 8.156 39.861 1.00 33.05 O ATOM 1365 HG SER A 154 21.512 8.346 40.720 1.00 0.00 H ATOM 1366 H SER A 154 20.990 7.652 37.343 1.00 0.00 H ATOM 1367 N GLY A 155 21.750 4.311 37.695 1.00 29.02 N ATOM 1368 CA GLY A 155 21.832 2.872 37.534 1.00 28.56 C ATOM 1369 C GLY A 155 22.904 2.524 36.505 1.00 32.60 C ATOM 1370 O GLY A 155 23.814 1.727 36.752 1.00 33.57 O ATOM 1371 H GLY A 155 20.858 4.803 37.488 1.00 0.00 H ATOM 1372 N ILE A 156 22.830 3.196 35.354 1.00 38.10 N ATOM 1373 CA ILE A 156 23.785 2.937 34.271 1.00 36.88 C ATOM 1374 C ILE A 156 25.199 3.256 34.742 1.00 38.69 C ATOM 1375 O ILE A 156 26.094 2.437 34.519 1.00 34.41 O ATOM 1376 CB ILE A 156 23.459 3.734 32.971 1.00 34.95 C ATOM 1377 CG1 ILE A 156 22.074 3.349 32.434 1.00 37.40 C ATOM 1378 CG2 ILE A 156 24.468 3.435 31.862 1.00 37.65 C ATOM 1379 CD1 ILE A 156 21.644 4.076 31.152 1.00 37.78 C ATOM 1380 H ILE A 156 22.087 3.912 35.224 1.00 0.00 H ATOM 1381 N LEU A 157 25.426 4.387 35.428 1.00 28.60 N ATOM 1382 CA LEU A 157 26.807 4.713 35.839 1.00 29.62 C ATOM 1383 C LEU A 157 27.326 3.735 36.930 1.00 49.68 C ATOM 1384 O LEU A 157 28.525 3.430 37.006 1.00 32.76 O ATOM 1385 CB LEU A 157 26.907 6.158 36.368 1.00 32.61 C ATOM 1386 CG LEU A 157 26.517 7.315 35.420 1.00 34.58 C ATOM 1387 CD1 LEU A 157 26.548 8.706 36.116 1.00 32.29 C ATOM 1388 CD2 LEU A 157 27.458 7.367 34.268 1.00 37.94 C ATOM 1389 H LEU A 157 24.640 5.025 35.667 1.00 0.00 H ATOM 1390 N THR A 158 26.424 3.300 37.812 1.00 33.54 N ATOM 1391 CA THR A 158 26.745 2.334 38.870 1.00 39.35 C ATOM 1392 C THR A 158 27.118 0.998 38.205 1.00 35.05 C ATOM 1393 O THR A 158 28.109 0.344 38.555 1.00 32.87 O ATOM 1394 CB THR A 158 25.555 2.163 39.824 1.00 32.10 C ATOM 1395 OG1 THR A 158 25.283 3.419 40.468 1.00 35.13 O ATOM 1396 CG2 THR A 158 25.813 1.073 40.944 1.00 42.08 C ATOM 1397 HG1 THR A 158 25.066 4.100 39.783 1.00 0.00 H ATOM 1398 H THR A 158 25.451 3.661 37.747 1.00 0.00 H ATOM 1399 N ALA A 159 26.370 0.638 37.180 1.00 32.34 N ATOM 1400 CA ALA A 159 26.669 -0.617 36.479 1.00 36.80 C ATOM 1401 C ALA A 159 27.994 -0.514 35.741 1.00 39.28 C ATOM 1402 O ALA A 159 28.776 -1.498 35.722 1.00 44.42 O ATOM 1403 CB ALA A 159 25.545 -1.003 35.537 1.00 28.09 C ATOM 1404 H ALA A 159 25.577 1.236 36.872 1.00 0.00 H ATOM 1405 N ILE A 160 28.270 0.654 35.155 1.00 37.30 N ATOM 1406 CA ILE A 160 29.554 0.915 34.477 1.00 37.36 C ATOM 1407 C ILE A 160 30.702 0.677 35.463 1.00 46.73 C ATOM 1408 O ILE A 160 31.710 0.014 35.160 1.00 40.41 O ATOM 1409 CB ILE A 160 29.644 2.368 33.918 1.00 33.74 C ATOM 1410 CG1 ILE A 160 28.881 2.463 32.582 1.00 43.10 C ATOM 1411 CG2 ILE A 160 31.113 2.801 33.667 1.00 31.47 C ATOM 1412 CD1 ILE A 160 28.679 3.885 32.069 1.00 54.56 C ATOM 1413 H ILE A 160 27.553 1.407 35.177 1.00 0.00 H ATOM 1414 N ALA A 161 30.537 1.253 36.646 1.00 42.80 N ATOM 1415 CA ALA A 161 31.544 1.166 37.686 1.00 31.53 C ATOM 1416 C ALA A 161 31.788 -0.248 38.194 1.00 38.32 C ATOM 1417 O ALA A 161 32.936 -0.626 38.473 1.00 32.55 O ATOM 1418 CB ALA A 161 31.153 2.050 38.855 1.00 41.36 C ATOM 1419 H ALA A 161 29.661 1.782 36.833 1.00 0.00 H ATOM 1420 N ALA A 162 30.681 -0.959 38.415 1.00 29.86 N ATOM 1421 CA ALA A 162 30.689 -2.314 38.920 1.00 36.77 C ATOM 1422 C ALA A 162 31.332 -3.261 37.882 1.00 32.54 C ATOM 1423 O ALA A 162 32.145 -4.109 38.247 1.00 41.84 O ATOM 1424 CB ALA A 162 29.240 -2.756 39.273 1.00 22.86 C ATOM 1425 H ALA A 162 29.763 -0.515 38.213 1.00 0.00 H ATOM 1426 N PHE A 163 30.995 -3.077 36.607 1.00 28.89 N ATOM 1427 CA PHE A 163 31.636 -3.799 35.514 1.00 33.11 C ATOM 1428 C PHE A 163 33.123 -3.584 35.466 1.00 40.85 C ATOM 1429 O PHE A 163 33.846 -4.559 35.356 1.00 36.55 O ATOM 1430 CB PHE A 163 31.049 -3.405 34.165 1.00 26.03 C ATOM 1431 CG PHE A 163 29.743 -4.103 33.830 1.00 28.13 C ATOM 1432 CD1 PHE A 163 28.853 -4.465 34.812 1.00 26.73 C ATOM 1433 CD2 PHE A 163 29.404 -4.358 32.515 1.00 28.45 C ATOM 1434 CE1 PHE A 163 27.603 -5.096 34.491 1.00 30.05 C ATOM 1435 CE2 PHE A 163 28.172 -4.970 32.182 1.00 43.74 C ATOM 1436 CZ PHE A 163 27.273 -5.322 33.176 1.00 32.91 C ATOM 1437 H PHE A 163 30.246 -2.392 36.382 1.00 0.00 H ATOM 1438 N VAL A 164 33.590 -2.334 35.518 1.00 40.95 N ATOM 1439 CA VAL A 164 35.011 -2.068 35.437 1.00 33.15 C ATOM 1440 C VAL A 164 35.693 -2.860 36.538 1.00 36.18 C ATOM 1441 O VAL A 164 36.636 -3.579 36.295 1.00 40.48 O ATOM 1442 CB VAL A 164 35.402 -0.552 35.609 1.00 39.21 C ATOM 1443 CG1 VAL A 164 36.912 -0.428 35.735 1.00 27.83 C ATOM 1444 CG2 VAL A 164 34.926 0.306 34.462 1.00 32.76 C ATOM 1445 H VAL A 164 32.924 -1.541 35.618 1.00 0.00 H ATOM 1446 N ILE A 165 35.203 -2.722 37.762 1.00 41.94 N ATOM 1447 CA ILE A 165 35.846 -3.360 38.885 1.00 39.02 C ATOM 1448 C ILE A 165 35.722 -4.913 38.880 1.00 38.69 C ATOM 1449 O ILE A 165 36.692 -5.600 39.130 1.00 38.04 O ATOM 1450 CB ILE A 165 35.289 -2.804 40.204 1.00 40.56 C ATOM 1451 CG1 ILE A 165 35.496 -1.298 40.242 1.00 50.05 C ATOM 1452 CG2 ILE A 165 35.965 -3.459 41.399 1.00 49.59 C ATOM 1453 CD1 ILE A 165 36.944 -0.821 40.400 1.00 53.13 C ATOM 1454 H ILE A 165 34.348 -2.149 37.914 1.00 0.00 H ATOM 1455 N LEU A 166 34.534 -5.452 38.664 1.00 30.13 N ATOM 1456 CA LEU A 166 34.341 -6.901 38.663 1.00 40.50 C ATOM 1457 C LEU A 166 35.043 -7.527 37.473 1.00 49.98 C ATOM 1458 O LEU A 166 35.457 -8.679 37.577 1.00 41.18 O ATOM 1459 CB LEU A 166 32.844 -7.273 38.654 1.00 30.06 C ATOM 1460 CG LEU A 166 32.139 -6.871 39.980 1.00 39.27 C ATOM 1461 CD1 LEU A 166 30.667 -7.267 39.940 1.00 32.09 C ATOM 1462 CD2 LEU A 166 32.795 -7.452 41.242 1.00 45.78 C ATOM 1463 H LEU A 166 33.718 -4.831 38.491 1.00 0.00 H ATOM 1464 N ILE A 167 35.214 -6.772 36.366 1.00 41.35 N ATOM 1465 CA ILE A 167 35.974 -7.283 35.225 1.00 40.73 C ATOM 1466 C ILE A 167 37.422 -7.420 35.642 1.00 40.76 C ATOM 1467 O ILE A 167 38.029 -8.469 35.427 1.00 41.09 O ATOM 1468 CB ILE A 167 35.868 -6.382 33.940 1.00 35.57 C ATOM 1469 CG1 ILE A 167 34.502 -6.552 33.285 1.00 37.74 C ATOM 1470 CG2 ILE A 167 36.945 -6.768 32.904 1.00 38.86 C ATOM 1471 CD1 ILE A 167 34.202 -5.564 32.207 1.00 44.02 C ATOM 1472 H ILE A 167 34.801 -5.818 36.324 1.00 0.00 H ATOM 1473 N ILE A 168 37.989 -6.385 36.260 1.00 36.24 N ATOM 1474 CA ILE A 168 39.373 -6.497 36.709 1.00 45.95 C ATOM 1475 C ILE A 168 39.535 -7.695 37.645 1.00 47.70 C ATOM 1476 O ILE A 168 40.525 -8.417 37.574 1.00 57.53 O ATOM 1477 CB ILE A 168 39.868 -5.211 37.434 1.00 48.64 C ATOM 1478 CG1 ILE A 168 39.951 -4.023 36.455 1.00 69.33 C ATOM 1479 CG2 ILE A 168 41.281 -5.433 38.054 1.00 40.85 C ATOM 1480 CD1 ILE A 168 39.995 -2.665 37.141 1.00 54.12 C ATOM 1481 H ILE A 168 37.452 -5.509 36.420 1.00 0.00 H ATOM 1482 N PHE A 169 38.563 -7.896 38.530 1.00 43.80 N ATOM 1483 CA PHE A 169 38.619 -9.002 39.479 1.00 43.39 C ATOM 1484 C PHE A 169 38.553 -10.386 38.763 1.00 41.37 C ATOM 1485 O PHE A 169 39.326 -11.281 39.111 1.00 45.51 O ATOM 1486 CB PHE A 169 37.498 -8.879 40.502 1.00 42.32 C ATOM 1487 CG PHE A 169 37.724 -7.789 41.529 1.00 63.08 C ATOM 1488 CD1 PHE A 169 38.792 -6.896 41.408 1.00 75.45 C ATOM 1489 CD2 PHE A 169 36.871 -7.653 42.619 1.00 54.84 C ATOM 1490 CE1 PHE A 169 39.008 -5.902 42.356 1.00 68.79 C ATOM 1491 CE2 PHE A 169 37.076 -6.648 43.559 1.00 56.82 C ATOM 1492 CZ PHE A 169 38.148 -5.773 43.427 1.00 56.43 C ATOM 1493 H PHE A 169 37.747 -7.252 38.546 1.00 0.00 H ATOM 1494 N VAL A 170 37.650 -10.534 37.787 1.00 39.99 N ATOM 1495 CA VAL A 170 37.509 -11.781 37.015 1.00 73.30 C ATOM 1496 C VAL A 170 38.811 -12.173 36.322 1.00 69.29 C ATOM 1497 O VAL A 170 39.105 -13.355 36.185 1.00 80.56 O ATOM 1498 CB VAL A 170 36.384 -11.676 35.942 1.00 41.61 C ATOM 1499 CG1 VAL A 170 36.423 -12.882 34.889 1.00 37.23 C ATOM 1500 CG2 VAL A 170 35.029 -11.659 36.611 1.00 43.29 C ATOM 1501 H VAL A 170 37.022 -9.736 37.564 1.00 0.00 H ATOM 1502 N LYS A 171 39.584 -11.173 35.901 1.00 61.93 N ATOM 1503 CA LYS A 171 40.816 -11.403 35.159 1.00 52.28 C ATOM 1504 C LYS A 171 42.015 -11.606 36.068 1.00 49.60 C ATOM 1505 O LYS A 171 42.906 -12.420 35.759 1.00 47.52 O ATOM 1506 CB LYS A 171 41.091 -10.244 34.200 1.00 56.74 C ATOM 1507 CG LYS A 171 39.984 -10.020 33.166 1.00 77.82 C ATOM 1508 CD LYS A 171 39.833 -11.234 32.246 1.00 89.08 C ATOM 1509 CE LYS A 171 38.651 -11.103 31.291 1.00 88.68 C ATOM 1510 NZ LYS A 171 38.221 -12.447 30.789 1.00 79.37 N ATOM 1511 HZ1 LYS A 171 39.012 -12.897 30.285 1.00 0.00 H ATOM 1512 HZ2 LYS A 171 37.938 -13.042 31.594 1.00 0.00 H ATOM 1513 HZ3 LYS A 171 37.416 -12.332 30.141 1.00 0.00 H ATOM 1514 H LYS A 171 39.298 -10.195 36.109 1.00 0.00 H ATOM 1515 N LYS A 172 42.034 -10.906 37.197 1.00 42.38 N ATOM 1516 CA LYS A 172 43.205 -10.970 38.088 1.00 51.56 C ATOM 1517 C LYS A 172 42.955 -11.835 39.327 1.00 55.84 C ATOM 1518 O LYS A 172 43.898 -12.342 39.932 1.00 59.66 O ATOM 1519 CB LYS A 172 43.629 -9.569 38.545 1.00 56.37 C ATOM 1520 CG LYS A 172 43.595 -8.481 37.466 1.00 70.72 C ATOM 1521 CD LYS A 172 44.880 -8.350 36.687 1.00 80.08 C ATOM 1522 CE LYS A 172 44.823 -9.109 35.370 1.00 90.56 C ATOM 1523 NZ LYS A 172 46.058 -8.916 34.554 1.00 96.01 N ATOM 1524 HZ1 LYS A 172 46.176 -7.905 34.340 1.00 0.00 H ATOM 1525 HZ2 LYS A 172 46.882 -9.257 35.089 1.00 0.00 H ATOM 1526 HZ3 LYS A 172 45.973 -9.452 33.667 1.00 0.00 H ATOM 1527 H LYS A 172 41.220 -10.311 37.452 1.00 0.00 H ATOM 1528 N PHE A 173 41.695 -11.994 39.723 1.00 52.48 N ATOM 1529 CA PHE A 173 41.389 -12.743 40.955 1.00 51.43 C ATOM 1530 C PHE A 173 40.104 -13.561 40.782 1.00 50.77 C ATOM 1531 O PHE A 173 39.163 -13.384 41.544 1.00 55.62 O ATOM 1532 CB PHE A 173 41.196 -11.814 42.156 1.00 49.48 C ATOM 1533 CG PHE A 173 42.187 -10.705 42.250 1.00 65.99 C ATOM 1534 CD1 PHE A 173 43.484 -10.937 42.691 1.00 70.72 C ATOM 1535 CD2 PHE A 173 41.804 -9.409 41.940 1.00 57.31 C ATOM 1536 CE1 PHE A 173 44.386 -9.893 42.798 1.00 58.74 C ATOM 1537 CE2 PHE A 173 42.690 -8.376 42.044 1.00 56.69 C ATOM 1538 CZ PHE A 173 43.989 -8.616 42.477 1.00 61.15 C ATOM 1539 H PHE A 173 40.921 -11.587 39.160 1.00 0.00 H ATOM 1540 N PRO A 174 40.060 -14.449 39.785 1.00 48.95 N ATOM 1541 CA PRO A 174 38.793 -15.134 39.499 1.00 50.53 C ATOM 1542 C PRO A 174 38.245 -15.933 40.689 1.00 47.63 C ATOM 1543 O PRO A 174 37.032 -16.099 40.759 1.00 53.54 O ATOM 1544 CB PRO A 174 39.137 -16.064 38.315 1.00 41.00 C ATOM 1545 CG PRO A 174 40.620 -16.104 38.229 1.00 43.14 C ATOM 1546 CD PRO A 174 41.174 -14.912 38.933 1.00 61.74 C ATOM 1547 N LYS A 175 39.103 -16.357 41.612 1.00 43.34 N ATOM 1548 CA LYS A 175 38.688 -17.223 42.714 1.00 57.58 C ATOM 1549 C LYS A 175 37.882 -16.480 43.766 1.00 55.24 C ATOM 1550 O LYS A 175 37.194 -17.112 44.557 1.00 48.25 O ATOM 1551 CB LYS A 175 39.906 -17.881 43.378 1.00 65.85 C ATOM 1552 CG LYS A 175 40.701 -18.824 42.480 1.00 66.66 C ATOM 1553 CD LYS A 175 39.811 -19.800 41.686 1.00 67.72 C ATOM 1554 CE LYS A 175 40.655 -20.722 40.785 1.00 74.37 C ATOM 1555 NZ LYS A 175 39.844 -21.570 39.870 1.00 64.09 N ATOM 1556 HZ1 LYS A 175 39.213 -22.177 40.431 1.00 0.00 H ATOM 1557 HZ2 LYS A 175 39.277 -20.961 39.246 1.00 0.00 H ATOM 1558 HZ3 LYS A 175 40.477 -22.162 39.296 1.00 0.00 H ATOM 1559 H LYS A 175 40.099 -16.064 41.548 1.00 0.00 H ATOM 1560 N LEU A 176 37.947 -15.145 43.777 1.00 49.67 N ATOM 1561 CA LEU A 176 37.066 -14.364 44.644 1.00 50.27 C ATOM 1562 C LEU A 176 35.612 -14.789 44.434 1.00 53.20 C ATOM 1563 O LEU A 176 34.783 -14.657 45.318 1.00 54.88 O ATOM 1564 CB LEU A 176 37.174 -12.864 44.358 1.00 50.11 C ATOM 1565 CG LEU A 176 38.268 -11.963 44.929 1.00 65.03 C ATOM 1566 CD1 LEU A 176 38.109 -10.542 44.325 1.00 55.50 C ATOM 1567 CD2 LEU A 176 38.193 -11.922 46.441 1.00 61.45 C ATOM 1568 H LEU A 176 38.630 -14.657 43.163 1.00 0.00 H ATOM 1569 N PHE A 177 35.313 -15.272 43.232 1.00 46.99 N ATOM 1570 CA PHE A 177 33.944 -15.533 42.824 1.00 43.92 C ATOM 1571 C PHE A 177 33.523 -16.964 43.036 1.00 49.41 C ATOM 1572 O PHE A 177 32.393 -17.347 42.682 1.00 55.72 O ATOM 1573 CB PHE A 177 33.783 -15.188 41.346 1.00 48.10 C ATOM 1574 CG PHE A 177 33.973 -13.744 41.040 1.00 51.06 C ATOM 1575 CD1 PHE A 177 35.224 -13.240 40.775 1.00 33.69 C ATOM 1576 CD2 PHE A 177 32.897 -12.907 40.983 1.00 40.57 C ATOM 1577 CE1 PHE A 177 35.387 -11.969 40.475 1.00 39.48 C ATOM 1578 CE2 PHE A 177 33.061 -11.613 40.692 1.00 34.38 C ATOM 1579 CZ PHE A 177 34.315 -11.133 40.441 1.00 40.58 C ATOM 1580 H PHE A 177 36.084 -15.469 42.563 1.00 0.00 H ATOM 1581 N ILE A 178 34.447 -17.772 43.550 1.00 48.75 N ATOM 1582 CA ILE A 178 34.172 -19.181 43.750 1.00 52.59 C ATOM 1583 C ILE A 178 34.567 -19.597 45.151 1.00 67.99 C ATOM 1584 O ILE A 178 35.752 -19.627 45.489 1.00 60.89 O ATOM 1585 CB ILE A 178 34.912 -20.064 42.738 1.00 48.89 C ATOM 1586 CG1 ILE A 178 34.603 -19.624 41.318 1.00 48.93 C ATOM 1587 CG2 ILE A 178 34.541 -21.592 42.913 1.00 53.07 C ATOM 1588 CD1 ILE A 178 35.545 -20.206 40.326 1.00 63.96 C ATOM 1589 H ILE A 178 35.377 -17.388 43.811 1.00 0.00 H ATOM 1590 N HIS A 179 33.554 -19.921 45.948 1.00 53.95 N ATOM 1591 CA HIS A 179 33.748 -20.348 47.317 1.00 62.13 C ATOM 1592 C HIS A 179 34.287 -21.766 47.382 1.00 70.99 C ATOM 1593 O HIS A 179 33.735 -22.673 46.754 1.00 70.40 O ATOM 1594 CB HIS A 179 32.444 -20.302 48.096 1.00 58.00 C ATOM 1595 CG HIS A 179 32.497 -21.076 49.375 1.00 76.50 C ATOM 1596 ND1 HIS A 179 33.408 -20.801 50.367 1.00 69.16 N ATOM 1597 CD2 HIS A 179 31.797 -22.157 49.793 1.00 98.75 C ATOM 1598 CE1 HIS A 179 33.244 -21.652 51.360 1.00 69.27 C ATOM 1599 NE2 HIS A 179 32.271 -22.483 51.037 1.00105.99 N ATOM 1600 H HIS A 179 32.585 -19.866 45.574 1.00 0.00 H ATOM 1601 N SER A 180 35.327 -21.950 48.189 1.00 85.21 N ATOM 1602 CA SER A 180 35.882 -23.265 48.475 1.00 66.42 C ATOM 1603 C SER A 180 35.757 -23.553 49.961 1.00 78.31 C ATOM 1604 O SER A 180 36.135 -22.719 50.784 1.00 74.50 O ATOM 1605 CB SER A 180 37.353 -23.333 48.046 1.00 75.79 C ATOM 1606 OG SER A 180 37.738 -24.667 47.727 1.00 97.90 O ATOM 1607 HG SER A 180 37.177 -25.002 46.984 1.00 0.00 H ATOM 1608 H SER A 180 35.763 -21.118 48.636 1.00 0.00 H ATOM 1609 N ASN A 181 35.212 -24.719 50.305 1.00 81.70 N ATOM 1610 CA ASN A 181 35.235 -25.196 51.687 1.00 91.07 C ATOM 1611 C ASN A 181 36.665 -25.351 52.185 1.00109.04 C ATOM 1612 O ASN A 181 36.947 -25.116 53.364 1.00118.32 O ATOM 1613 CB ASN A 181 34.518 -26.549 51.840 1.00 92.42 C ATOM 1614 CG ASN A 181 33.014 -26.449 51.680 1.00 85.43 C ATOM 1615 OD1 ASN A 181 32.420 -25.376 51.818 1.00 82.05 O ATOM 1616 ND2 ASN A 181 32.385 -27.583 51.395 1.00 88.59 N ATOM 1617 HD22 ASN A 181 32.926 -28.465 51.287 1.00 0.00 H ATOM 1618 HD21 ASN A 181 31.351 -27.589 51.279 1.00 0.00 H ATOM 1619 H ASN A 181 34.760 -25.304 49.573 1.00 0.00 H ATOM 1620 N TYR A 182 37.555 -25.784 51.295 1.00 91.95 N ATOM 1621 CA TYR A 182 38.937 -26.056 51.679 1.00 94.45 C ATOM 1622 C TYR A 182 39.737 -24.796 51.463 1.00115.99 C ATOM 1623 O TYR A 182 40.553 -24.373 52.284 1.00110.28 O ATOM 1624 CB TYR A 182 39.521 -27.226 50.868 1.00 84.81 C ATOM 1625 CG TYR A 182 38.598 -28.424 50.816 1.00 97.90 C ATOM 1626 CD1 TYR A 182 38.534 -29.316 51.876 1.00 93.97 C ATOM 1627 CD2 TYR A 182 37.764 -28.641 49.726 1.00 86.25 C ATOM 1628 CE1 TYR A 182 37.678 -30.396 51.853 1.00 97.74 C ATOM 1629 CE2 TYR A 182 36.899 -29.716 49.693 1.00 90.07 C ATOM 1630 CZ TYR A 182 36.861 -30.595 50.761 1.00 95.85 C ATOM 1631 OH TYR A 182 36.008 -31.679 50.737 1.00100.35 O ATOM 1632 OXT TYR A 182 39.547 -24.181 50.429 1.00 88.19 O ATOM 1633 HH TYR A 182 36.111 -32.197 51.574 1.00 0.00 H ATOM 1634 H TYR A 182 37.261 -25.931 50.308 1.00 0.00 H TER 1635 TYR A 182 HETATM 1636 O HOH 1 30.902 6.014 47.768 1.00 44.41 O HETATM 1637 O HOH 2 28.595 4.541 46.742 1.00 32.76 O HETATM 1638 O HOH 3 28.168 12.206 47.078 1.00 64.35 O HETATM 1639 O HOH 4 18.694 15.603 41.133 1.00 37.02 O HETATM 1640 O HOH 5 19.821 8.014 41.540 1.00 36.06 O HETATM 1641 O HOH 6 22.251 7.245 50.187 1.00 60.29 O HETATM 1642 O HOH 7 20.139 2.159 49.433 1.00 46.29 O HETATM 1643 O HOH 8 30.218 -16.631 41.359 1.00 36.63 O HETATM 1644 O HOH 9 29.208 -15.654 38.777 1.00 34.25 O HETATM 1645 O HOH 10 20.879 -18.954 48.586 1.00 58.19 O HETATM 1646 O HOH 11 38.925 -19.532 38.041 1.00 51.62 O HETATM 1647 O HOH 12 7.737 22.430 35.810 1.00 43.60 O HETATM 1648 O HOH 13 15.378 14.284 43.509 1.00 39.66 O HETATM 1649 O HOH 14 9.856 12.279 40.488 1.00 40.59 O HETATM 1650 O HOH 15 28.781 9.079 49.339 1.00 62.57 O HETATM 1651 O HOH 16 38.105 -21.107 45.040 1.00 85.32 O HETATM 1652 O HOH 17 31.763 -20.943 54.592 1.00 60.02 O HETATM 1653 O HOH 18 26.717 -19.708 50.548 1.00 51.61 O HETATM 1654 O HOH 19 22.747 -20.891 48.743 1.00 73.31 O HETATM 1655 O HOH 20 21.883 -18.807 45.553 1.00 48.73 O HETATM 1656 O HOH 21 25.768 3.910 52.801 1.00 62.10 O HETATM 1657 O HOH 22 22.401 1.369 51.792 1.00 47.62 O HETATM 1658 O HOH 23 27.271 7.504 53.191 1.00 83.87 O HETATM 1659 O HOH 24 26.724 4.724 48.452 1.00 61.52 O HETATM 1660 O HOH 25 23.442 7.611 48.154 1.00 75.36 O HETATM 1661 O HOH 26 28.842 0.419 41.352 1.00 42.53 O HETATM 1662 O HOH 27 37.350 -14.478 30.289 1.00 80.10 O HETATM 1663 O HOH 28 7.070 13.604 46.125 1.00 90.47 O HETATM 1664 O HOH 29 30.781 -19.855 44.271 1.00 43.58 O HETATM 1665 O HOH 30 8.907 19.785 37.137 1.00 41.41 O HETATM 1666 O HOH 31 42.317 -15.554 41.993 1.00 63.19 O HETATM 1667 O HOH 32 27.917 -22.729 55.050 1.00 68.42 O HETATM 1668 O HOH 33 38.346 -15.427 33.647 1.00 93.45 O HETATM 1669 O HOH 34 23.748 -21.453 56.989 1.00 96.69 O HETATM 1670 O HOH 35 38.046 -16.123 53.641 1.00 81.38 O HETATM 1671 O HOH 36 20.066 8.380 58.746 1.00 64.54 O HETATM 1672 O HOH 37 35.416 -27.685 37.206 1.00 66.79 O HETATM 1673 O HOH 38 37.767 -18.000 34.077 1.00 68.42 O HETATM 1674 O HOH 39 38.081 -23.538 41.111 1.00 57.19 O HETATM 1675 O HOH 40 36.466 -26.673 46.545 1.00 63.52 O HETATM 1676 O HOH 41 23.497 -17.711 49.893 1.00 47.03 O HETATM 1677 O HOH 42 41.962 -23.495 54.771 1.00 75.26 O HETATM 1678 O HOH 43 28.990 -20.746 50.226 1.00 70.15 O HETATM 1679 CM2 UNN A 44 14.684 11.636 41.838 1.00 -0.00 C HETATM 1680 C2A UNN A 44 15.256 10.935 43.053 1.00 0.08 C HETATM 1681 N3A UNN A 44 14.967 9.650 43.252 1.00 -0.26 N HETATM 1682 C4A UNN A 44 15.456 8.984 44.300 1.00 0.12 C HETATM 1683 N4A UNN A 44 15.097 7.628 44.468 1.00 -0.32 N HETATM 1684 H4 UNN A 44 15.462 7.094 45.269 1.00 0.18 H HETATM 1685 H5 UNN A 44 14.470 7.173 43.789 1.00 0.18 H HETATM 1686 C5A UNN A 44 16.290 9.682 45.210 1.00 0.03 C HETATM 1687 C7A UNN A 44 16.894 9.008 46.436 1.00 0.00 C HETATM 1688 C3 UNN A 44 17.988 8.053 45.966 1.00 -0.06 C HETATM 1689 C2 UNN A 44 18.415 7.893 44.617 1.00 -0.03 C HETATM 1690 S1 UNN A 44 19.638 6.695 44.676 1.00 -0.07 S HETATM 1691 C5 UNN A 44 19.653 6.354 46.304 1.00 0.03 C HETATM 1692 C6 UNN A 44 20.575 5.311 46.889 1.00 0.08 C HETATM 1693 O1 UNN A 44 20.826 5.538 48.241 1.00 -0.38 O HETATM 1694 H9 UNN A 44 21.234 6.389 48.348 1.00 0.21 H HETATM 1695 H10 UNN A 44 20.109 4.321 46.775 1.00 0.07 H HETATM 1696 H11 UNN A 44 21.529 5.333 46.342 1.00 0.07 H HETATM 1697 C4 UNN A 44 18.668 7.189 46.888 1.00 -0.06 C HETATM 1698 CM4 UNN A 44 18.312 7.197 48.386 1.00 -0.05 C HETATM 1699 H6 UNN A 44 18.943 6.468 48.917 1.00 0.03 H HETATM 1700 H7 UNN A 44 17.253 6.926 48.513 1.00 0.03 H HETATM 1701 H8 UNN A 44 18.486 8.202 48.799 1.00 0.03 H HETATM 1702 H12 UNN A 44 18.044 8.418 43.738 1.00 0.05 H HETATM 1703 H13 UNN A 44 17.325 9.768 47.104 1.00 0.05 H HETATM 1704 H14 UNN A 44 16.116 8.447 46.974 1.00 0.05 H HETATM 1705 C6A UNN A 44 16.556 11.055 44.972 1.00 0.01 C HETATM 1706 N1A UNN A 44 16.032 11.614 43.874 1.00 -0.29 N HETATM 1707 H15 UNN A 44 17.165 11.633 45.658 1.00 0.08 H HETATM 1708 H1 UNN A 44 14.064 10.930 41.265 1.00 0.04 H HETATM 1709 H2 UNN A 44 15.506 12.000 41.204 1.00 0.04 H HETATM 1710 H3 UNN A 44 14.066 12.486 42.162 1.00 0.04 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1679 1680 1708 1709 1710 CONECT 1680 1679 1681 1706 CONECT 1681 1680 1682 CONECT 1682 1681 1683 1686 CONECT 1683 1682 1684 1685 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1682 1687 1705 CONECT 1687 1686 1688 1703 1704 CONECT 1688 1687 1689 1697 CONECT 1689 1688 1690 1702 CONECT 1690 1689 1691 CONECT 1691 1690 1692 1697 CONECT 1692 1691 1693 1695 1696 CONECT 1693 1692 1694 CONECT 1694 1693 CONECT 1695 1692 CONECT 1696 1692 CONECT 1697 1688 1691 1698 CONECT 1698 1697 1699 1700 1701 CONECT 1699 1698 CONECT 1700 1698 CONECT 1701 1698 CONECT 1702 1689 CONECT 1703 1687 CONECT 1704 1687 CONECT 1705 1686 1706 1707 CONECT 1706 1680 1705 CONECT 1707 1705 CONECT 1708 1679 CONECT 1709 1679 CONECT 1710 1679 MASTER 0 0 0 0 0 0 0 0 1709 1 36 14 END
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Structure:
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Protein
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Related entries of code: 4pop
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3rlb
RCSB PDB
PDBbind
192aa, >3RLB_1|Chains... *
4pov
RCSB PDB
PDBbind
192aa, >4POV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4pov
RCSB PDB
PDBbind
2VY
Entry Information
PDB ID
4pop
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Thiamine transporter ThiT
Ligand Name
2VY
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=7.44nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Chembiochem Vol. 16: pp. 819-826
Ligand Properties
Formula
C
1
2
H
1
5
N
3
OS
Molecular Weight
249.332
Exact Mass
249.094
No. of atoms
32
No. of bonds
33
Polar Surface Area
100.27
LOGP Value
1.37 (
Computed with XLOGP3
)
2.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
OCc1scc(c1C)Cc1cnc(nc1N)C
InChI String
InChI=1S/C12H15N3OS/c1-7-10(6-17-11(7)5-16)3-9-4-14-8(2)15-12(9)13/h4,6,16H,3,5H2,1-2H3,(H2,13,14,15)
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):
A2RI47
Entrez Gene ID
NCBI Entrez Gene ID:
61108638
ASD
Information of known allosteric effects of PDB entries
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