Browse entries in the PDBbind-CN Database
HEADER 4PSQ_COMPLEX COMPND 4PSQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 175 GLU ARG ASP CYS ARG VAL SER SER PHE ARG VAL LYS GLU SEQRES 2 B 175 ASN PHE ASP LYS ALA ARG PHE SER GLY THR TRP TYR ALA SEQRES 3 B 175 MET ALA LYS LYS ASP PRO GLU GLY LEU PHE LEU GLN ASP SEQRES 4 B 175 ASN ILE VAL ALA GLU PHE SER VAL ASP GLU THR GLY GLN SEQRES 5 B 175 MET SER ALA THR ALA LYS GLY ARG VAL ARG LEU LEU ASN SEQRES 6 B 175 ASN TRP ASP VAL CYS ALA ASP MET VAL GLY THR PHE THR SEQRES 7 B 175 ASP THR GLU ASP PRO ALA LYS PHE LYS MET LYS TYR TRP SEQRES 8 B 175 GLY VAL ALA SER PHE LEU GLN LYS GLY ASN ASP ASP HIS SEQRES 9 B 175 TRP ILE VAL ASP THR ASP TYR ASP THR TYR ALA VAL GLN SEQRES 10 B 175 TYR SER CYS ARG LEU LEU ASN LEU ASP GLY THR CYS ALA SEQRES 11 B 175 ASP SER TYR SER PHE VAL PHE SER ARG ASP PRO ASN GLY SEQRES 12 B 175 LEU PRO PRO GLU ALA GLN LYS ILE VAL ARG GLN ARG GLN SEQRES 13 B 175 GLU GLU LEU CYS LEU ALA ARG GLN TYR ARG LEU ILE VAL SEQRES 14 B 175 HIS ASN GLY TYR CYS ASP HET UNN A 249 48 SSBOND 1 CYS B 120 CYS B 129 SSBOND 2 CYS B 4 CYS B 160 SSBOND 3 CYS B 70 CYS B 174 ATOM 1 N GLU B 1 17.483 22.661 10.656 1.00 74.32 N ATOM 2 CA GLU B 1 18.716 22.955 11.446 1.00 74.37 C ATOM 3 C GLU B 1 19.956 22.348 10.786 1.00 71.82 C ATOM 4 O GLU B 1 20.946 23.046 10.552 1.00 70.85 O ATOM 5 CB GLU B 1 18.587 22.428 12.882 1.00 76.67 C ATOM 6 CG GLU B 1 17.359 22.923 13.641 1.00 78.25 C ATOM 7 CD GLU B 1 16.144 22.013 13.500 1.00 79.75 C ATOM 8 OE1 GLU B 1 16.033 21.293 12.484 1.00 80.43 O ATOM 9 OE2 GLU B 1 15.289 22.024 14.410 1.00 80.67 O ATOM 10 HN3 GLU B 1 17.353 21.631 10.589 1.00 0.00 H ATOM 11 HN2 GLU B 1 17.581 23.062 9.701 1.00 0.00 H ATOM 12 HN1 GLU B 1 16.660 23.086 11.129 1.00 0.00 H ATOM 13 N ARG B 2 19.892 21.050 10.490 1.00 67.63 N ATOM 14 CA ARG B 2 21.021 20.326 9.908 1.00 64.32 C ATOM 15 C ARG B 2 21.183 20.649 8.425 1.00 61.54 C ATOM 16 O ARG B 2 20.208 20.649 7.673 1.00 60.77 O ATOM 17 CB ARG B 2 20.837 18.818 10.098 1.00 65.86 C ATOM 18 CG ARG B 2 21.995 17.969 9.586 1.00 67.24 C ATOM 19 CD ARG B 2 21.970 16.576 10.198 1.00 68.53 C ATOM 20 NE ARG B 2 22.420 16.580 11.592 1.00 70.51 N ATOM 21 CZ ARG B 2 22.255 15.578 12.458 1.00 71.82 C ATOM 22 NH1 ARG B 2 21.633 14.457 12.102 1.00 72.57 N ATOM 23 NH2 ARG B 2 22.712 15.701 13.699 1.00 71.77 N ATOM 24 HE ARG B 2 22.907 17.432 11.935 1.00 0.00 H ATOM 25 HH12 ARG B 2 21.514 13.687 12.791 1.00 0.00 H ATOM 26 HH11 ARG B 2 21.266 14.351 11.135 1.00 0.00 H ATOM 27 HH22 ARG B 2 22.587 14.924 14.379 1.00 0.00 H ATOM 28 HH21 ARG B 2 23.195 16.574 13.991 1.00 0.00 H ATOM 29 H ARG B 2 19.009 20.535 10.680 1.00 0.00 H ATOM 30 N ASP B 3 22.421 20.920 8.019 1.00 57.76 N ATOM 31 CA ASP B 3 22.747 21.218 6.628 1.00 55.88 C ATOM 32 C ASP B 3 22.907 19.915 5.845 1.00 54.97 C ATOM 33 O ASP B 3 23.917 19.222 5.982 1.00 54.72 O ATOM 34 CB ASP B 3 24.036 22.047 6.555 1.00 55.59 C ATOM 35 CG ASP B 3 24.455 22.374 5.129 1.00 56.73 C ATOM 36 OD1 ASP B 3 23.636 22.219 4.197 1.00 57.68 O ATOM 37 OD2 ASP B 3 25.614 22.800 4.940 1.00 56.27 O ATOM 38 H ASP B 3 23.188 20.919 8.722 1.00 0.00 H ATOM 39 N CYS B 4 21.915 19.600 5.015 1.00 52.88 N ATOM 40 CA CYS B 4 21.902 18.350 4.254 1.00 51.21 C ATOM 41 C CYS B 4 22.284 18.512 2.779 1.00 50.79 C ATOM 42 O CYS B 4 22.072 17.599 1.984 1.00 50.60 O ATOM 43 CB CYS B 4 20.526 17.689 4.371 1.00 50.42 C ATOM 44 SG CYS B 4 20.137 17.114 6.039 1.00 50.42 S ATOM 45 H CYS B 4 21.123 20.264 4.904 1.00 0.00 H ATOM 46 N ARG B 5 22.860 19.654 2.412 1.00 51.04 N ATOM 47 CA ARG B 5 23.319 19.858 1.036 1.00 51.01 C ATOM 48 C ARG B 5 24.510 18.954 0.756 1.00 49.88 C ATOM 49 O ARG B 5 25.398 18.814 1.596 1.00 50.60 O ATOM 50 CB ARG B 5 23.700 21.319 0.792 1.00 52.58 C ATOM 51 CG ARG B 5 22.527 22.284 0.876 1.00 54.44 C ATOM 52 CD ARG B 5 22.985 23.726 0.745 1.00 56.15 C ATOM 53 NE ARG B 5 23.831 24.130 1.866 1.00 58.85 N ATOM 54 CZ ARG B 5 24.515 25.272 1.934 1.00 60.47 C ATOM 55 NH1 ARG B 5 24.471 26.155 0.940 1.00 60.88 N ATOM 56 NH2 ARG B 5 25.255 25.531 3.007 1.00 61.75 N ATOM 57 HE ARG B 5 23.905 23.477 2.672 1.00 0.00 H ATOM 58 HH12 ARG B 5 25.010 27.042 1.008 1.00 0.00 H ATOM 59 HH11 ARG B 5 23.897 25.959 0.095 1.00 0.00 H ATOM 60 HH22 ARG B 5 25.791 26.420 3.067 1.00 0.00 H ATOM 61 HH21 ARG B 5 25.298 24.845 3.787 1.00 0.00 H ATOM 62 H ARG B 5 22.986 20.413 3.112 1.00 0.00 H ATOM 63 N VAL B 6 24.526 18.351 -0.429 1.00 47.88 N ATOM 64 CA VAL B 6 25.548 17.369 -0.793 1.00 47.18 C ATOM 65 C VAL B 6 26.930 18.016 -0.919 1.00 48.43 C ATOM 66 O VAL B 6 27.950 17.391 -0.615 1.00 48.15 O ATOM 67 CB VAL B 6 25.168 16.637 -2.102 1.00 45.92 C ATOM 68 CG1 VAL B 6 26.304 15.757 -2.608 1.00 45.10 C ATOM 69 CG2 VAL B 6 23.911 15.808 -1.886 1.00 46.10 C ATOM 70 H VAL B 6 23.786 18.586 -1.121 1.00 0.00 H ATOM 71 N SER B 7 26.950 19.271 -1.361 1.00 49.20 N ATOM 72 CA SER B 7 28.183 20.047 -1.486 1.00 49.08 C ATOM 73 C SER B 7 28.789 20.454 -0.135 1.00 48.77 C ATOM 74 O SER B 7 29.942 20.873 -0.081 1.00 48.81 O ATOM 75 CB SER B 7 27.918 21.302 -2.322 1.00 48.85 C ATOM 76 OG SER B 7 26.838 22.047 -1.782 1.00 47.95 O ATOM 77 HG SER B 7 26.684 22.852 -2.337 1.00 0.00 H ATOM 78 H SER B 7 26.050 19.719 -1.629 1.00 0.00 H ATOM 79 N SER B 8 28.013 20.344 0.942 1.00 49.17 N ATOM 80 CA SER B 8 28.506 20.626 2.292 1.00 49.81 C ATOM 81 C SER B 8 29.107 19.408 3.004 1.00 49.75 C ATOM 82 O SER B 8 29.668 19.556 4.089 1.00 50.43 O ATOM 83 CB SER B 8 27.377 21.189 3.158 1.00 50.41 C ATOM 84 OG SER B 8 26.858 22.386 2.607 1.00 52.52 O ATOM 85 HG SER B 8 26.131 22.727 3.186 1.00 0.00 H ATOM 86 H SER B 8 27.024 20.048 0.820 1.00 0.00 H ATOM 87 N PHE B 9 28.994 18.217 2.417 1.00 48.47 N ATOM 88 CA PHE B 9 29.450 16.999 3.095 1.00 47.43 C ATOM 89 C PHE B 9 30.974 16.861 3.094 1.00 47.47 C ATOM 90 O PHE B 9 31.617 16.916 2.046 1.00 47.57 O ATOM 91 CB PHE B 9 28.818 15.735 2.480 1.00 46.04 C ATOM 92 CG PHE B 9 27.324 15.610 2.693 1.00 45.05 C ATOM 93 CD1 PHE B 9 26.693 16.147 3.816 1.00 44.27 C ATOM 94 CD2 PHE B 9 26.550 14.908 1.774 1.00 44.31 C ATOM 95 CE1 PHE B 9 25.323 16.008 3.996 1.00 44.50 C ATOM 96 CE2 PHE B 9 25.183 14.765 1.953 1.00 43.98 C ATOM 97 CZ PHE B 9 24.567 15.316 3.064 1.00 44.18 C ATOM 98 H PHE B 9 28.577 18.150 1.466 1.00 0.00 H ATOM 99 N ARG B 10 31.539 16.710 4.290 1.00 48.26 N ATOM 100 CA ARG B 10 32.948 16.362 4.469 1.00 48.80 C ATOM 101 C ARG B 10 33.226 14.905 4.106 1.00 47.13 C ATOM 102 O ARG B 10 32.383 14.027 4.310 1.00 47.13 O ATOM 103 CB ARG B 10 33.382 16.618 5.916 1.00 51.08 C ATOM 104 CG ARG B 10 33.423 18.089 6.297 1.00 53.73 C ATOM 105 CD ARG B 10 33.420 18.286 7.807 1.00 56.95 C ATOM 106 NE ARG B 10 33.730 19.668 8.181 1.00 59.24 N ATOM 107 CZ ARG B 10 33.588 20.179 9.405 1.00 61.86 C ATOM 108 NH1 ARG B 10 33.129 19.437 10.410 1.00 62.46 N ATOM 109 NH2 ARG B 10 33.905 21.450 9.627 1.00 63.20 N ATOM 110 HE ARG B 10 34.088 20.299 7.436 1.00 0.00 H ATOM 111 HH12 ARG B 10 33.025 19.852 11.358 1.00 0.00 H ATOM 112 HH11 ARG B 10 32.874 18.442 10.248 1.00 0.00 H ATOM 113 HH22 ARG B 10 33.797 21.854 10.579 1.00 0.00 H ATOM 114 HH21 ARG B 10 34.262 22.041 8.849 1.00 0.00 H ATOM 115 H ARG B 10 30.951 16.846 5.137 1.00 0.00 H ATOM 116 N VAL B 11 34.427 14.667 3.583 1.00 44.46 N ATOM 117 CA VAL B 11 34.874 13.336 3.182 1.00 43.50 C ATOM 118 C VAL B 11 36.251 13.043 3.795 1.00 43.05 C ATOM 119 O VAL B 11 36.807 13.883 4.499 1.00 42.61 O ATOM 120 CB VAL B 11 34.912 13.196 1.643 1.00 42.77 C ATOM 121 CG1 VAL B 11 33.498 13.090 1.095 1.00 42.32 C ATOM 122 CG2 VAL B 11 35.646 14.365 1.001 1.00 42.54 C ATOM 123 H VAL B 11 35.078 15.468 3.454 1.00 0.00 H ATOM 124 N LYS B 12 36.787 11.851 3.541 1.00 43.28 N ATOM 125 CA LYS B 12 38.059 11.426 4.135 1.00 43.16 C ATOM 126 C LYS B 12 39.237 12.325 3.744 1.00 43.91 C ATOM 127 O LYS B 12 39.705 12.290 2.605 1.00 42.43 O ATOM 128 CB LYS B 12 38.368 9.976 3.745 1.00 42.55 C ATOM 129 CG LYS B 12 39.676 9.418 4.299 1.00 42.71 C ATOM 130 CD LYS B 12 39.771 9.578 5.809 1.00 42.84 C ATOM 131 CE LYS B 12 40.990 8.872 6.373 1.00 42.79 C ATOM 132 NZ LYS B 12 41.014 8.972 7.857 1.00 42.94 N ATOM 133 HZ1 LYS B 12 41.046 9.974 8.135 1.00 0.00 H ATOM 134 HZ2 LYS B 12 40.157 8.529 8.247 1.00 0.00 H ATOM 135 HZ3 LYS B 12 41.856 8.483 8.223 1.00 0.00 H ATOM 136 H LYS B 12 36.288 11.201 2.901 1.00 0.00 H ATOM 137 N GLU B 13 39.721 13.108 4.706 1.00 45.31 N ATOM 138 CA GLU B 13 40.872 13.987 4.488 1.00 47.63 C ATOM 139 C GLU B 13 42.107 13.162 4.114 1.00 46.87 C ATOM 140 O GLU B 13 42.437 12.188 4.792 1.00 46.71 O ATOM 141 CB GLU B 13 41.152 14.823 5.744 1.00 50.15 C ATOM 142 CG GLU B 13 42.039 16.037 5.508 1.00 52.49 C ATOM 143 CD GLU B 13 42.427 16.751 6.796 1.00 54.41 C ATOM 144 OE1 GLU B 13 42.759 16.071 7.792 1.00 55.25 O ATOM 145 OE2 GLU B 13 42.416 18.001 6.810 1.00 55.97 O ATOM 146 H GLU B 13 39.267 13.095 5.642 1.00 0.00 H ATOM 147 N ASN B 14 42.761 13.549 3.020 1.00 46.54 N ATOM 148 CA ASN B 14 43.974 12.883 2.530 1.00 46.40 C ATOM 149 C ASN B 14 43.798 11.384 2.312 1.00 45.53 C ATOM 150 O ASN B 14 44.639 10.583 2.724 1.00 46.55 O ATOM 151 CB ASN B 14 45.153 13.145 3.479 1.00 47.94 C ATOM 152 CG ASN B 14 45.383 14.622 3.729 1.00 48.29 C ATOM 153 OD1 ASN B 14 45.423 15.070 4.874 1.00 49.92 O ATOM 154 ND2 ASN B 14 45.522 15.390 2.655 1.00 48.42 N ATOM 155 HD22 ASN B 14 45.481 14.968 1.705 1.00 0.00 H ATOM 156 HD21 ASN B 14 45.672 16.413 2.763 1.00 0.00 H ATOM 157 H ASN B 14 42.394 14.363 2.487 1.00 0.00 H ATOM 158 N PHE B 15 42.709 11.012 1.646 1.00 44.91 N ATOM 159 CA PHE B 15 42.393 9.604 1.419 1.00 42.70 C ATOM 160 C PHE B 15 43.536 8.886 0.705 1.00 43.43 C ATOM 161 O PHE B 15 44.114 9.411 -0.244 1.00 43.07 O ATOM 162 CB PHE B 15 41.091 9.454 0.622 1.00 41.07 C ATOM 163 CG PHE B 15 40.771 8.032 0.258 1.00 39.36 C ATOM 164 CD1 PHE B 15 40.272 7.154 1.213 1.00 38.45 C ATOM 165 CD2 PHE B 15 40.989 7.563 -1.032 1.00 38.39 C ATOM 166 CE1 PHE B 15 39.989 5.837 0.888 1.00 38.30 C ATOM 167 CE2 PHE B 15 40.705 6.247 -1.363 1.00 38.68 C ATOM 168 CZ PHE B 15 40.203 5.383 -0.403 1.00 38.40 C ATOM 169 H PHE B 15 42.066 11.742 1.277 1.00 0.00 H ATOM 170 N ASP B 16 43.836 7.676 1.169 1.00 45.17 N ATOM 171 CA ASP B 16 44.975 6.898 0.695 1.00 45.91 C ATOM 172 C ASP B 16 44.463 5.619 0.037 1.00 46.92 C ATOM 173 O ASP B 16 43.946 4.730 0.714 1.00 48.31 O ATOM 174 CB ASP B 16 45.892 6.573 1.883 1.00 45.65 C ATOM 175 CG ASP B 16 47.201 5.916 1.470 1.00 45.84 C ATOM 176 OD1 ASP B 16 47.216 5.105 0.518 1.00 45.59 O ATOM 177 OD2 ASP B 16 48.223 6.202 2.125 1.00 47.00 O ATOM 178 H ASP B 16 43.229 7.264 1.906 1.00 0.00 H ATOM 179 N LYS B 17 44.630 5.527 -1.280 1.00 47.98 N ATOM 180 CA LYS B 17 44.100 4.405 -2.063 1.00 48.26 C ATOM 181 C LYS B 17 44.722 3.072 -1.655 1.00 47.96 C ATOM 182 O LYS B 17 44.021 2.069 -1.513 1.00 48.63 O ATOM 183 CB LYS B 17 44.354 4.617 -3.561 1.00 49.35 C ATOM 184 CG LYS B 17 43.781 5.895 -4.157 1.00 50.65 C ATOM 185 CD LYS B 17 44.227 6.053 -5.606 1.00 51.76 C ATOM 186 CE LYS B 17 44.122 7.492 -6.083 1.00 52.78 C ATOM 187 NZ LYS B 17 44.673 7.657 -7.459 1.00 53.23 N ATOM 188 HZ1 LYS B 17 45.676 7.381 -7.465 1.00 0.00 H ATOM 189 HZ2 LYS B 17 44.142 7.053 -8.118 1.00 0.00 H ATOM 190 HZ3 LYS B 17 44.584 8.652 -7.750 1.00 0.00 H ATOM 191 H LYS B 17 45.155 6.278 -1.772 1.00 0.00 H ATOM 192 N ALA B 18 46.043 3.067 -1.485 1.00 47.52 N ATOM 193 CA ALA B 18 46.785 1.848 -1.158 1.00 46.73 C ATOM 194 C ALA B 18 46.309 1.218 0.149 1.00 44.85 C ATOM 195 O ALA B 18 46.075 0.011 0.213 1.00 44.27 O ATOM 196 CB ALA B 18 48.277 2.145 -1.085 1.00 47.11 C ATOM 197 H ALA B 18 46.566 3.960 -1.588 1.00 0.00 H ATOM 198 N ARG B 19 46.161 2.044 1.183 1.00 43.22 N ATOM 199 CA ARG B 19 45.721 1.567 2.499 1.00 42.35 C ATOM 200 C ARG B 19 44.284 1.047 2.492 1.00 41.60 C ATOM 201 O ARG B 19 43.935 0.179 3.292 1.00 41.84 O ATOM 202 CB ARG B 19 45.840 2.680 3.541 1.00 41.70 C ATOM 203 CG ARG B 19 47.263 3.127 3.824 1.00 41.29 C ATOM 204 CD ARG B 19 47.271 4.321 4.759 1.00 40.58 C ATOM 205 NE ARG B 19 46.818 3.963 6.104 1.00 40.13 N ATOM 206 CZ ARG B 19 46.546 4.842 7.066 1.00 39.73 C ATOM 207 NH1 ARG B 19 46.136 4.416 8.255 1.00 39.85 N ATOM 208 NH2 ARG B 19 46.678 6.146 6.848 1.00 40.16 N ATOM 209 HE ARG B 19 46.701 2.953 6.323 1.00 0.00 H ATOM 210 HH12 ARG B 19 45.923 5.101 9.008 1.00 0.00 H ATOM 211 HH11 ARG B 19 46.028 3.397 8.433 1.00 0.00 H ATOM 212 HH22 ARG B 19 46.463 6.824 7.606 1.00 0.00 H ATOM 213 HH21 ARG B 19 46.996 6.488 5.919 1.00 0.00 H ATOM 214 H ARG B 19 46.363 3.056 1.054 1.00 0.00 H ATOM 215 N PHE B 20 43.459 1.586 1.595 1.00 41.20 N ATOM 216 CA PHE B 20 42.051 1.199 1.498 1.00 40.58 C ATOM 217 C PHE B 20 41.839 -0.118 0.749 1.00 40.24 C ATOM 218 O PHE B 20 40.773 -0.728 0.862 1.00 39.11 O ATOM 219 CB PHE B 20 41.240 2.314 0.829 1.00 40.31 C ATOM 220 CG PHE B 20 39.756 2.170 1.005 1.00 40.34 C ATOM 221 CD1 PHE B 20 39.156 2.501 2.210 1.00 39.82 C ATOM 222 CD2 PHE B 20 38.957 1.698 -0.032 1.00 40.65 C ATOM 223 CE1 PHE B 20 37.790 2.368 2.382 1.00 39.78 C ATOM 224 CE2 PHE B 20 37.587 1.563 0.134 1.00 40.15 C ATOM 225 CZ PHE B 20 37.003 1.902 1.342 1.00 40.12 C ATOM 226 H PHE B 20 43.828 2.306 0.942 1.00 0.00 H ATOM 227 N SER B 21 42.845 -0.558 -0.006 1.00 40.39 N ATOM 228 CA SER B 21 42.729 -1.778 -0.804 1.00 41.40 C ATOM 229 C SER B 21 42.533 -3.014 0.069 1.00 41.53 C ATOM 230 O SER B 21 42.750 -2.977 1.282 1.00 41.65 O ATOM 231 CB SER B 21 43.956 -1.956 -1.707 1.00 42.57 C ATOM 232 OG SER B 21 45.151 -2.035 -0.949 1.00 43.23 O ATOM 233 HG SER B 21 45.264 -1.202 -0.426 1.00 0.00 H ATOM 234 H SER B 21 43.735 -0.020 -0.028 1.00 0.00 H ATOM 235 N GLY B 22 42.111 -4.105 -0.561 1.00 41.57 N ATOM 236 CA GLY B 22 41.827 -5.353 0.144 1.00 41.65 C ATOM 237 C GLY B 22 40.339 -5.600 0.298 1.00 41.68 C ATOM 238 O GLY B 22 39.515 -4.907 -0.303 1.00 42.61 O ATOM 239 H GLY B 22 41.978 -4.070 -1.592 1.00 0.00 H ATOM 240 N THR B 23 40.000 -6.586 1.118 1.00 41.26 N ATOM 241 CA THR B 23 38.621 -7.036 1.272 1.00 40.83 C ATOM 242 C THR B 23 37.835 -6.152 2.243 1.00 39.41 C ATOM 243 O THR B 23 38.327 -5.798 3.315 1.00 39.75 O ATOM 244 CB THR B 23 38.577 -8.498 1.758 1.00 41.19 C ATOM 245 OG1 THR B 23 39.421 -9.300 0.923 1.00 42.22 O ATOM 246 CG2 THR B 23 37.160 -9.054 1.708 1.00 41.62 C ATOM 247 HG1 THR B 23 39.100 -9.251 -0.012 1.00 0.00 H ATOM 248 H THR B 23 40.745 -7.056 1.672 1.00 0.00 H ATOM 249 N TRP B 24 36.614 -5.800 1.845 1.00 37.75 N ATOM 250 CA TRP B 24 35.684 -5.051 2.688 1.00 36.35 C ATOM 251 C TRP B 24 34.329 -5.753 2.694 1.00 35.81 C ATOM 252 O TRP B 24 33.818 -6.130 1.639 1.00 35.43 O ATOM 253 CB TRP B 24 35.498 -3.635 2.157 1.00 35.43 C ATOM 254 CG TRP B 24 36.625 -2.691 2.424 1.00 34.45 C ATOM 255 CD1 TRP B 24 37.555 -2.260 1.529 1.00 34.14 C ATOM 256 CD2 TRP B 24 36.914 -2.021 3.658 1.00 34.20 C ATOM 257 NE1 TRP B 24 38.417 -1.375 2.128 1.00 34.35 N ATOM 258 CE2 TRP B 24 38.046 -1.209 3.435 1.00 34.02 C ATOM 259 CE3 TRP B 24 36.335 -2.037 4.931 1.00 33.85 C ATOM 260 CZ2 TRP B 24 38.610 -0.420 4.437 1.00 33.83 C ATOM 261 CZ3 TRP B 24 36.893 -1.248 5.927 1.00 34.10 C ATOM 262 CH2 TRP B 24 38.019 -0.450 5.673 1.00 33.99 C ATOM 263 HE1 TRP B 24 39.221 -0.907 1.664 1.00 0.00 H ATOM 264 H TRP B 24 36.307 -6.071 0.889 1.00 0.00 H ATOM 265 N TYR B 25 33.750 -5.909 3.881 1.00 35.33 N ATOM 266 CA TYR B 25 32.452 -6.558 4.045 1.00 35.27 C ATOM 267 C TYR B 25 31.378 -5.524 4.362 1.00 34.36 C ATOM 268 O TYR B 25 31.453 -4.846 5.387 1.00 33.37 O ATOM 269 CB TYR B 25 32.518 -7.588 5.173 1.00 36.72 C ATOM 270 CG TYR B 25 33.465 -8.730 4.892 1.00 38.30 C ATOM 271 CD1 TYR B 25 34.828 -8.614 5.154 1.00 39.45 C ATOM 272 CD2 TYR B 25 33.000 -9.926 4.361 1.00 39.22 C ATOM 273 CE1 TYR B 25 35.700 -9.659 4.893 1.00 40.39 C ATOM 274 CE2 TYR B 25 33.862 -10.977 4.098 1.00 40.43 C ATOM 275 CZ TYR B 25 35.210 -10.839 4.366 1.00 41.25 C ATOM 276 OH TYR B 25 36.068 -11.885 4.101 1.00 43.57 O ATOM 277 HH TYR B 25 36.991 -11.624 4.348 1.00 0.00 H ATOM 278 H TYR B 25 34.241 -5.555 4.726 1.00 0.00 H ATOM 279 N ALA B 26 30.382 -5.404 3.483 1.00 33.30 N ATOM 280 CA ALA B 26 29.255 -4.504 3.718 1.00 32.58 C ATOM 281 C ALA B 26 28.330 -5.106 4.770 1.00 31.89 C ATOM 282 O ALA B 26 27.829 -6.211 4.599 1.00 31.00 O ATOM 283 CB ALA B 26 28.495 -4.241 2.427 1.00 32.49 C ATOM 284 H ALA B 26 30.408 -5.965 2.608 1.00 0.00 H ATOM 285 N MET B 27 28.127 -4.374 5.862 1.00 32.58 N ATOM 286 CA MET B 27 27.306 -4.837 6.983 1.00 33.21 C ATOM 287 C MET B 27 26.005 -4.052 7.117 1.00 33.03 C ATOM 288 O MET B 27 25.062 -4.514 7.762 1.00 33.49 O ATOM 289 CB MET B 27 28.106 -4.747 8.285 1.00 34.37 C ATOM 290 CG MET B 27 29.285 -5.711 8.334 1.00 35.64 C ATOM 291 SD MET B 27 30.037 -5.863 9.968 1.00 37.95 S ATOM 292 CE MET B 27 28.684 -6.593 10.895 1.00 37.01 C ATOM 293 H MET B 27 28.569 -3.435 5.922 1.00 0.00 H ATOM 294 N ALA B 28 25.961 -2.860 6.529 1.00 32.56 N ATOM 295 CA ALA B 28 24.728 -2.090 6.442 1.00 32.25 C ATOM 296 C ALA B 28 24.705 -1.280 5.151 1.00 32.40 C ATOM 297 O ALA B 28 25.755 -1.013 4.555 1.00 31.64 O ATOM 298 CB ALA B 28 24.578 -1.181 7.648 1.00 31.73 C ATOM 299 H ALA B 28 26.832 -2.466 6.120 1.00 0.00 H ATOM 300 N LYS B 29 23.503 -0.910 4.717 1.00 32.32 N ATOM 301 CA LYS B 29 23.335 -0.114 3.509 1.00 32.54 C ATOM 302 C LYS B 29 22.041 0.691 3.522 1.00 32.60 C ATOM 303 O LYS B 29 21.051 0.292 4.138 1.00 32.85 O ATOM 304 CB LYS B 29 23.357 -1.008 2.268 1.00 32.96 C ATOM 305 CG LYS B 29 22.242 -2.042 2.239 1.00 33.45 C ATOM 306 CD LYS B 29 22.018 -2.611 0.851 1.00 33.97 C ATOM 307 CE LYS B 29 20.748 -3.444 0.817 1.00 34.16 C ATOM 308 NZ LYS B 29 20.327 -3.719 -0.579 1.00 35.20 N ATOM 309 HZ1 LYS B 29 20.149 -2.819 -1.070 1.00 0.00 H ATOM 310 HZ2 LYS B 29 21.081 -4.240 -1.071 1.00 0.00 H ATOM 311 HZ3 LYS B 29 19.457 -4.289 -0.572 1.00 0.00 H ATOM 312 H LYS B 29 22.660 -1.197 5.255 1.00 0.00 H ATOM 313 N LYS B 30 22.073 1.826 2.835 1.00 32.41 N ATOM 314 CA LYS B 30 20.890 2.616 2.548 1.00 32.49 C ATOM 315 C LYS B 30 20.689 2.546 1.039 1.00 31.83 C ATOM 316 O LYS B 30 21.594 2.878 0.283 1.00 31.87 O ATOM 317 CB LYS B 30 21.098 4.060 3.014 1.00 33.05 C ATOM 318 CG LYS B 30 19.884 4.958 2.842 1.00 33.55 C ATOM 319 CD LYS B 30 19.927 5.713 1.524 1.00 34.08 C ATOM 320 CE LYS B 30 18.564 6.258 1.136 1.00 34.24 C ATOM 321 NZ LYS B 30 18.548 6.663 -0.295 1.00 34.20 N ATOM 322 HZ1 LYS B 30 19.263 7.401 -0.453 1.00 0.00 H ATOM 323 HZ2 LYS B 30 18.763 5.837 -0.890 1.00 0.00 H ATOM 324 HZ3 LYS B 30 17.607 7.033 -0.539 1.00 0.00 H ATOM 325 H LYS B 30 22.991 2.166 2.485 1.00 0.00 H ATOM 326 N ASP B 31 19.513 2.102 0.606 1.00 31.85 N ATOM 327 CA ASP B 31 19.264 1.828 -0.814 1.00 32.11 C ATOM 328 C ASP B 31 18.984 3.084 -1.637 1.00 31.32 C ATOM 329 O ASP B 31 18.399 4.044 -1.134 1.00 30.71 O ATOM 330 CB ASP B 31 18.064 0.878 -0.981 1.00 33.37 C ATOM 331 CG ASP B 31 18.414 -0.577 -0.715 1.00 35.05 C ATOM 332 OD1 ASP B 31 19.609 -0.935 -0.732 1.00 36.50 O ATOM 333 OD2 ASP B 31 17.479 -1.373 -0.494 1.00 37.42 O ATOM 334 H ASP B 31 18.748 1.944 1.293 1.00 0.00 H ATOM 335 N PRO B 32 19.385 3.067 -2.919 1.00 31.02 N ATOM 336 CA PRO B 32 18.879 4.029 -3.879 1.00 31.51 C ATOM 337 C PRO B 32 17.594 3.486 -4.497 1.00 32.41 C ATOM 338 O PRO B 32 17.115 2.421 -4.097 1.00 32.35 O ATOM 339 CB PRO B 32 19.985 4.064 -4.927 1.00 31.01 C ATOM 340 CG PRO B 32 20.498 2.660 -4.949 1.00 30.80 C ATOM 341 CD PRO B 32 20.254 2.072 -3.577 1.00 30.76 C ATOM 342 N GLU B 33 17.049 4.202 -5.472 1.00 33.58 N ATOM 343 CA GLU B 33 15.929 3.690 -6.256 1.00 34.23 C ATOM 344 C GLU B 33 16.421 2.652 -7.257 1.00 32.31 C ATOM 345 O GLU B 33 17.599 2.633 -7.619 1.00 30.94 O ATOM 346 CB GLU B 33 15.206 4.829 -6.979 1.00 36.07 C ATOM 347 CG GLU B 33 14.483 5.772 -6.030 1.00 38.25 C ATOM 348 CD GLU B 33 13.687 6.850 -6.746 1.00 41.46 C ATOM 349 OE1 GLU B 33 13.043 6.548 -7.777 1.00 43.95 O ATOM 350 OE2 GLU B 33 13.695 8.005 -6.268 1.00 43.41 O ATOM 351 H GLU B 33 17.428 5.148 -5.682 1.00 0.00 H ATOM 352 N GLY B 34 15.514 1.779 -7.681 1.00 31.48 N ATOM 353 CA GLY B 34 15.807 0.794 -8.718 1.00 31.30 C ATOM 354 C GLY B 34 16.545 -0.423 -8.204 1.00 31.91 C ATOM 355 O GLY B 34 16.760 -0.579 -7.003 1.00 32.59 O ATOM 356 H GLY B 34 14.563 1.798 -7.260 1.00 0.00 H ATOM 357 N LEU B 35 16.941 -1.289 -9.128 1.00 32.54 N ATOM 358 CA LEU B 35 17.561 -2.553 -8.776 1.00 33.32 C ATOM 359 C LEU B 35 18.942 -2.309 -8.168 1.00 33.38 C ATOM 360 O LEU B 35 19.650 -1.387 -8.557 1.00 33.09 O ATOM 361 CB LEU B 35 17.654 -3.466 -10.002 1.00 33.85 C ATOM 362 CG LEU B 35 17.824 -4.962 -9.717 1.00 35.20 C ATOM 363 CD1 LEU B 35 16.620 -5.537 -8.974 1.00 35.66 C ATOM 364 CD2 LEU B 35 18.057 -5.711 -11.019 1.00 35.23 C ATOM 365 H LEU B 35 16.803 -1.056 -10.132 1.00 0.00 H ATOM 366 N PHE B 36 19.309 -3.146 -7.208 1.00 33.56 N ATOM 367 CA PHE B 36 20.482 -2.905 -6.378 1.00 33.65 C ATOM 368 C PHE B 36 20.861 -4.204 -5.673 1.00 33.62 C ATOM 369 O PHE B 36 19.992 -5.018 -5.365 1.00 32.90 O ATOM 370 CB PHE B 36 20.153 -1.812 -5.352 1.00 33.28 C ATOM 371 CG PHE B 36 21.359 -1.133 -4.762 1.00 33.00 C ATOM 372 CD1 PHE B 36 22.094 -0.225 -5.509 1.00 32.56 C ATOM 373 CD2 PHE B 36 21.739 -1.374 -3.445 1.00 33.07 C ATOM 374 CE1 PHE B 36 23.200 0.407 -4.966 1.00 32.75 C ATOM 375 CE2 PHE B 36 22.845 -0.745 -2.897 1.00 32.99 C ATOM 376 CZ PHE B 36 23.577 0.148 -3.658 1.00 32.63 C ATOM 377 H PHE B 36 18.742 -4.002 -7.042 1.00 0.00 H ATOM 378 N LEU B 37 22.155 -4.400 -5.436 1.00 34.90 N ATOM 379 CA LEU B 37 22.634 -5.534 -4.640 1.00 35.55 C ATOM 380 C LEU B 37 21.871 -5.617 -3.319 1.00 36.14 C ATOM 381 O LEU B 37 21.615 -4.595 -2.682 1.00 34.16 O ATOM 382 CB LEU B 37 24.136 -5.405 -4.369 1.00 35.83 C ATOM 383 CG LEU B 37 25.115 -6.050 -5.354 1.00 36.85 C ATOM 384 CD1 LEU B 37 24.670 -5.936 -6.804 1.00 37.70 C ATOM 385 CD2 LEU B 37 26.499 -5.445 -5.171 1.00 37.19 C ATOM 386 H LEU B 37 22.847 -3.729 -5.827 1.00 0.00 H ATOM 387 N GLN B 38 21.505 -6.835 -2.921 1.00 38.24 N ATOM 388 CA GLN B 38 20.666 -7.051 -1.740 1.00 40.47 C ATOM 389 C GLN B 38 21.471 -7.432 -0.496 1.00 39.60 C ATOM 390 O GLN B 38 21.338 -6.785 0.541 1.00 38.98 O ATOM 391 CB GLN B 38 19.590 -8.107 -2.027 1.00 43.09 C ATOM 392 CG GLN B 38 18.467 -7.609 -2.931 1.00 45.16 C ATOM 393 CD GLN B 38 17.758 -6.379 -2.382 1.00 47.63 C ATOM 394 OE1 GLN B 38 17.541 -5.401 -3.102 1.00 50.20 O ATOM 395 NE2 GLN B 38 17.411 -6.415 -1.098 1.00 48.08 N ATOM 396 HE22 GLN B 38 17.614 -7.261 -0.528 1.00 0.00 H ATOM 397 HE21 GLN B 38 16.937 -5.597 -0.664 1.00 0.00 H ATOM 398 H GLN B 38 21.826 -7.660 -3.467 1.00 0.00 H ATOM 399 N ASP B 39 22.285 -8.482 -0.595 1.00 39.46 N ATOM 400 CA ASP B 39 23.156 -8.890 0.518 1.00 39.83 C ATOM 401 C ASP B 39 24.311 -9.799 0.078 1.00 40.08 C ATOM 402 O ASP B 39 24.491 -10.041 -1.120 1.00 40.59 O ATOM 403 CB ASP B 39 22.330 -9.535 1.645 1.00 40.01 C ATOM 404 CG ASP B 39 21.581 -10.769 1.197 1.00 40.04 C ATOM 405 OD1 ASP B 39 22.156 -11.591 0.451 1.00 39.60 O ATOM 406 OD2 ASP B 39 20.410 -10.920 1.604 1.00 39.61 O ATOM 407 H ASP B 39 22.305 -9.027 -1.481 1.00 0.00 H ATOM 408 N ASN B 40 25.086 -10.284 1.054 1.00 39.73 N ATOM 409 CA ASN B 40 26.334 -11.020 0.815 1.00 39.80 C ATOM 410 C ASN B 40 27.314 -10.185 -0.003 1.00 39.76 C ATOM 411 O ASN B 40 28.026 -10.695 -0.873 1.00 40.33 O ATOM 412 CB ASN B 40 26.077 -12.388 0.168 1.00 40.95 C ATOM 413 CG ASN B 40 25.446 -13.380 1.131 1.00 41.78 C ATOM 414 OD1 ASN B 40 26.116 -14.281 1.639 1.00 42.60 O ATOM 415 ND2 ASN B 40 24.155 -13.210 1.398 1.00 41.11 N ATOM 416 HD22 ASN B 40 23.628 -12.436 0.946 1.00 0.00 H ATOM 417 HD21 ASN B 40 23.672 -13.851 2.059 1.00 0.00 H ATOM 418 H ASN B 40 24.788 -10.131 2.039 1.00 0.00 H ATOM 419 N ILE B 41 27.357 -8.896 0.319 1.00 39.59 N ATOM 420 CA ILE B 41 28.081 -7.912 -0.472 1.00 39.78 C ATOM 421 C ILE B 41 29.523 -7.780 0.009 1.00 40.16 C ATOM 422 O ILE B 41 29.783 -7.243 1.086 1.00 39.21 O ATOM 423 CB ILE B 41 27.377 -6.535 -0.427 1.00 39.55 C ATOM 424 CG1 ILE B 41 25.935 -6.670 -0.935 1.00 39.33 C ATOM 425 CG2 ILE B 41 28.156 -5.506 -1.243 1.00 38.79 C ATOM 426 CD1 ILE B 41 25.079 -5.441 -0.729 1.00 39.96 C ATOM 427 H ILE B 41 26.853 -8.578 1.171 1.00 0.00 H ATOM 428 N VAL B 42 30.448 -8.268 -0.813 1.00 41.01 N ATOM 429 CA VAL B 42 31.875 -8.215 -0.527 1.00 41.55 C ATOM 430 C VAL B 42 32.559 -7.415 -1.626 1.00 42.41 C ATOM 431 O VAL B 42 32.427 -7.740 -2.808 1.00 42.85 O ATOM 432 CB VAL B 42 32.490 -9.632 -0.481 1.00 41.52 C ATOM 433 CG1 VAL B 42 34.005 -9.566 -0.311 1.00 41.36 C ATOM 434 CG2 VAL B 42 31.852 -10.451 0.634 1.00 40.95 C ATOM 435 H VAL B 42 30.137 -8.708 -1.702 1.00 0.00 H ATOM 436 N ALA B 43 33.287 -6.374 -1.230 1.00 42.64 N ATOM 437 CA ALA B 43 34.047 -5.558 -2.166 1.00 43.15 C ATOM 438 C ALA B 43 35.537 -5.850 -2.025 1.00 44.71 C ATOM 439 O ALA B 43 36.041 -6.014 -0.914 1.00 44.83 O ATOM 440 CB ALA B 43 33.774 -4.083 -1.923 1.00 42.94 C ATOM 441 H ALA B 43 33.314 -6.135 -0.218 1.00 0.00 H ATOM 442 N GLU B 44 36.229 -5.917 -3.159 1.00 46.51 N ATOM 443 CA GLU B 44 37.669 -6.140 -3.193 1.00 48.07 C ATOM 444 C GLU B 44 38.321 -4.990 -3.954 1.00 48.69 C ATOM 445 O GLU B 44 38.335 -4.979 -5.188 1.00 50.56 O ATOM 446 CB GLU B 44 37.983 -7.483 -3.865 1.00 48.93 C ATOM 447 CG GLU B 44 39.451 -7.896 -3.829 1.00 49.43 C ATOM 448 CD GLU B 44 39.919 -8.325 -2.450 1.00 49.83 C ATOM 449 OE1 GLU B 44 39.193 -9.087 -1.778 1.00 49.42 O ATOM 450 OE2 GLU B 44 41.022 -7.906 -2.042 1.00 51.36 O ATOM 451 H GLU B 44 35.721 -5.806 -4.060 1.00 0.00 H ATOM 452 N PHE B 45 38.846 -4.019 -3.214 1.00 47.21 N ATOM 453 CA PHE B 45 39.510 -2.865 -3.814 1.00 47.10 C ATOM 454 C PHE B 45 40.964 -3.195 -4.147 1.00 50.02 C ATOM 455 O PHE B 45 41.547 -4.117 -3.572 1.00 49.70 O ATOM 456 CB PHE B 45 39.434 -1.655 -2.880 1.00 44.88 C ATOM 457 CG PHE B 45 38.089 -0.981 -2.870 1.00 42.80 C ATOM 458 CD1 PHE B 45 36.983 -1.608 -2.310 1.00 41.51 C ATOM 459 CD2 PHE B 45 37.927 0.288 -3.417 1.00 41.79 C ATOM 460 CE1 PHE B 45 35.746 -0.986 -2.299 1.00 40.74 C ATOM 461 CE2 PHE B 45 36.690 0.913 -3.408 1.00 40.92 C ATOM 462 CZ PHE B 45 35.599 0.276 -2.847 1.00 40.36 C ATOM 463 H PHE B 45 38.782 -4.083 -2.178 1.00 0.00 H ATOM 464 N SER B 46 41.537 -2.440 -5.081 1.00 51.79 N ATOM 465 CA SER B 46 42.918 -2.650 -5.511 1.00 53.88 C ATOM 466 C SER B 46 43.452 -1.436 -6.267 1.00 56.26 C ATOM 467 O SER B 46 42.683 -0.674 -6.855 1.00 57.64 O ATOM 468 CB SER B 46 43.018 -3.897 -6.391 1.00 53.57 C ATOM 469 OG SER B 46 42.083 -3.842 -7.453 1.00 54.30 O ATOM 470 HG SER B 46 41.167 -3.786 -7.082 1.00 0.00 H ATOM 471 H SER B 46 40.984 -1.676 -5.519 1.00 0.00 H ATOM 472 N VAL B 47 44.771 -1.266 -6.241 1.00 58.54 N ATOM 473 CA VAL B 47 45.441 -0.138 -6.905 1.00 61.76 C ATOM 474 C VAL B 47 46.594 -0.662 -7.763 1.00 65.08 C ATOM 475 O VAL B 47 47.527 -1.275 -7.244 1.00 64.45 O ATOM 476 CB VAL B 47 46.001 0.877 -5.882 1.00 62.23 C ATOM 477 CG1 VAL B 47 46.454 2.152 -6.584 1.00 62.72 C ATOM 478 CG2 VAL B 47 44.965 1.201 -4.814 1.00 62.35 C ATOM 479 H VAL B 47 45.353 -1.960 -5.730 1.00 0.00 H ATOM 480 N ASP B 48 46.527 -0.417 -9.070 1.00 69.98 N ATOM 481 CA ASP B 48 47.558 -0.894 -10.000 1.00 73.27 C ATOM 482 C ASP B 48 48.816 -0.015 -9.974 1.00 75.75 C ATOM 483 O ASP B 48 48.824 1.062 -9.372 1.00 74.87 O ATOM 484 CB ASP B 48 46.999 -1.002 -11.429 1.00 74.27 C ATOM 485 CG ASP B 48 46.625 0.347 -12.030 1.00 74.80 C ATOM 486 OD1 ASP B 48 46.594 1.356 -11.294 1.00 76.33 O ATOM 487 OD2 ASP B 48 46.352 0.392 -13.247 1.00 75.34 O ATOM 488 H ASP B 48 45.723 0.127 -9.442 1.00 0.00 H ATOM 489 N GLU B 49 49.871 -0.492 -10.634 1.00 78.51 N ATOM 490 CA GLU B 49 51.173 0.198 -10.681 1.00 80.05 C ATOM 491 C GLU B 49 51.098 1.710 -10.948 1.00 79.72 C ATOM 492 O GLU B 49 51.811 2.486 -10.310 1.00 78.77 O ATOM 493 CB GLU B 49 52.119 -0.480 -11.694 1.00 81.41 C ATOM 494 CG GLU B 49 51.742 -0.359 -13.174 1.00 82.23 C ATOM 495 CD GLU B 49 50.517 -1.170 -13.570 1.00 83.21 C ATOM 496 OE1 GLU B 49 50.225 -2.191 -12.910 1.00 84.12 O ATOM 497 OE2 GLU B 49 49.843 -0.787 -14.549 1.00 83.61 O ATOM 498 H GLU B 49 49.771 -1.395 -11.140 1.00 0.00 H ATOM 499 N THR B 50 50.233 2.123 -11.874 1.00 79.66 N ATOM 500 CA THR B 50 50.100 3.543 -12.233 1.00 78.73 C ATOM 501 C THR B 50 49.421 4.382 -11.141 1.00 77.04 C ATOM 502 O THR B 50 49.531 5.609 -11.141 1.00 76.03 O ATOM 503 CB THR B 50 49.359 3.739 -13.581 1.00 80.29 C ATOM 504 OG1 THR B 50 49.312 5.133 -13.909 1.00 81.74 O ATOM 505 CG2 THR B 50 47.934 3.190 -13.537 1.00 80.26 C ATOM 506 HG1 THR B 50 48.831 5.623 -13.196 1.00 0.00 H ATOM 507 H THR B 50 49.635 1.422 -12.356 1.00 0.00 H ATOM 508 N GLY B 51 48.716 3.720 -10.226 1.00 75.57 N ATOM 509 CA GLY B 51 48.083 4.391 -9.091 1.00 73.99 C ATOM 510 C GLY B 51 46.615 4.720 -9.298 1.00 72.21 C ATOM 511 O GLY B 51 46.100 5.663 -8.693 1.00 71.98 O ATOM 512 H GLY B 51 48.612 2.690 -10.322 1.00 0.00 H ATOM 513 N GLN B 52 45.937 3.946 -10.144 1.00 69.45 N ATOM 514 CA GLN B 52 44.506 4.119 -10.373 1.00 67.71 C ATOM 515 C GLN B 52 43.739 3.028 -9.643 1.00 62.26 C ATOM 516 O GLN B 52 44.037 1.842 -9.793 1.00 59.23 O ATOM 517 CB GLN B 52 44.188 4.081 -11.866 1.00 70.92 C ATOM 518 CG GLN B 52 44.804 5.234 -12.644 1.00 73.54 C ATOM 519 CD GLN B 52 44.230 5.374 -14.041 1.00 75.90 C ATOM 520 OE1 GLN B 52 43.012 5.446 -14.220 1.00 77.69 O ATOM 521 NE2 GLN B 52 45.106 5.423 -15.040 1.00 76.17 N ATOM 522 HE22 GLN B 52 46.125 5.358 -14.842 1.00 0.00 H ATOM 523 HE21 GLN B 52 44.772 5.526 -16.020 1.00 0.00 H ATOM 524 H GLN B 52 46.443 3.196 -10.657 1.00 0.00 H ATOM 525 N MET B 53 42.751 3.437 -8.852 1.00 58.17 N ATOM 526 CA MET B 53 41.994 2.507 -8.024 1.00 56.03 C ATOM 527 C MET B 53 40.914 1.810 -8.845 1.00 54.55 C ATOM 528 O MET B 53 40.364 2.387 -9.785 1.00 54.16 O ATOM 529 CB MET B 53 41.363 3.243 -6.835 1.00 54.99 C ATOM 530 CG MET B 53 40.820 2.324 -5.747 1.00 54.48 C ATOM 531 SD MET B 53 40.467 3.181 -4.196 1.00 52.95 S ATOM 532 CE MET B 53 39.135 4.275 -4.686 1.00 52.93 C ATOM 533 H MET B 53 42.512 4.449 -8.824 1.00 0.00 H ATOM 534 N SER B 54 40.627 0.563 -8.485 1.00 52.10 N ATOM 535 CA SER B 54 39.523 -0.193 -9.069 1.00 50.87 C ATOM 536 C SER B 54 38.955 -1.131 -8.011 1.00 49.78 C ATOM 537 O SER B 54 39.527 -1.267 -6.929 1.00 48.85 O ATOM 538 CB SER B 54 39.992 -0.985 -10.291 1.00 50.68 C ATOM 539 OG SER B 54 40.976 -1.941 -9.942 1.00 51.24 O ATOM 540 HG SER B 54 40.599 -2.575 -9.282 1.00 0.00 H ATOM 541 H SER B 54 41.213 0.107 -7.757 1.00 0.00 H ATOM 542 N ALA B 55 37.830 -1.770 -8.316 1.00 49.32 N ATOM 543 CA ALA B 55 37.196 -2.676 -7.361 1.00 49.42 C ATOM 544 C ALA B 55 36.250 -3.668 -8.022 1.00 50.14 C ATOM 545 O ALA B 55 35.728 -3.421 -9.111 1.00 50.05 O ATOM 546 CB ALA B 55 36.449 -1.878 -6.301 1.00 49.16 C ATOM 547 H ALA B 55 37.394 -1.623 -9.249 1.00 0.00 H ATOM 548 N THR B 56 36.045 -4.795 -7.346 1.00 50.92 N ATOM 549 CA THR B 56 35.026 -5.764 -7.718 1.00 51.04 C ATOM 550 C THR B 56 34.063 -5.923 -6.554 1.00 51.41 C ATOM 551 O THR B 56 34.488 -5.965 -5.401 1.00 51.48 O ATOM 552 CB THR B 56 35.629 -7.146 -8.017 1.00 51.94 C ATOM 553 OG1 THR B 56 36.181 -7.701 -6.816 1.00 53.01 O ATOM 554 CG2 THR B 56 36.714 -7.045 -9.080 1.00 52.60 C ATOM 555 HG1 THR B 56 35.466 -7.794 -6.138 1.00 0.00 H ATOM 556 H THR B 56 36.639 -4.992 -6.515 1.00 0.00 H ATOM 557 N ALA B 57 32.770 -6.008 -6.857 1.00 51.30 N ATOM 558 CA ALA B 57 31.751 -6.269 -5.848 1.00 50.72 C ATOM 559 C ALA B 57 30.954 -7.503 -6.245 1.00 50.87 C ATOM 560 O ALA B 57 30.526 -7.625 -7.392 1.00 51.48 O ATOM 561 CB ALA B 57 30.832 -5.068 -5.695 1.00 50.45 C ATOM 562 H ALA B 57 32.477 -5.884 -7.847 1.00 0.00 H ATOM 563 N LYS B 58 30.779 -8.422 -5.299 1.00 51.23 N ATOM 564 CA LYS B 58 29.937 -9.597 -5.493 1.00 51.35 C ATOM 565 C LYS B 58 28.797 -9.517 -4.501 1.00 49.18 C ATOM 566 O LYS B 58 28.968 -8.996 -3.406 1.00 48.21 O ATOM 567 CB LYS B 58 30.735 -10.883 -5.271 1.00 54.04 C ATOM 568 CG LYS B 58 31.955 -11.011 -6.172 1.00 56.78 C ATOM 569 CD LYS B 58 32.573 -12.400 -6.103 1.00 58.37 C ATOM 570 CE LYS B 58 33.746 -12.530 -7.065 1.00 59.50 C ATOM 571 NZ LYS B 58 34.176 -13.946 -7.239 1.00 60.64 N ATOM 572 HZ1 LYS B 58 34.467 -14.334 -6.319 1.00 0.00 H ATOM 573 HZ2 LYS B 58 33.384 -14.504 -7.617 1.00 0.00 H ATOM 574 HZ3 LYS B 58 34.976 -13.985 -7.902 1.00 0.00 H ATOM 575 H LYS B 58 31.261 -8.298 -4.386 1.00 0.00 H ATOM 576 N GLY B 59 27.633 -10.026 -4.884 1.00 48.73 N ATOM 577 CA GLY B 59 26.469 -9.990 -4.007 1.00 47.61 C ATOM 578 C GLY B 59 25.243 -10.642 -4.610 1.00 47.49 C ATOM 579 O GLY B 59 25.148 -10.813 -5.825 1.00 47.24 O ATOM 580 H GLY B 59 27.550 -10.458 -5.826 1.00 0.00 H ATOM 581 N ARG B 60 24.307 -11.009 -3.742 1.00 48.48 N ATOM 582 CA ARG B 60 23.029 -11.572 -4.159 1.00 49.45 C ATOM 583 C ARG B 60 22.142 -10.479 -4.756 1.00 49.93 C ATOM 584 O ARG B 60 22.027 -9.390 -4.191 1.00 49.74 O ATOM 585 CB ARG B 60 22.314 -12.222 -2.964 1.00 50.14 C ATOM 586 CG ARG B 60 20.866 -12.613 -3.236 1.00 51.63 C ATOM 587 CD ARG B 60 20.116 -13.056 -1.984 1.00 52.59 C ATOM 588 NE ARG B 60 18.698 -12.679 -2.063 1.00 53.61 N ATOM 589 CZ ARG B 60 18.073 -11.816 -1.257 1.00 54.09 C ATOM 590 NH1 ARG B 60 18.711 -11.219 -0.258 1.00 54.24 N ATOM 591 NH2 ARG B 60 16.783 -11.557 -1.445 1.00 54.94 N ATOM 592 HE ARG B 60 18.131 -13.123 -2.813 1.00 0.00 H ATOM 593 HH12 ARG B 60 18.204 -10.551 0.357 1.00 0.00 H ATOM 594 HH11 ARG B 60 19.718 -11.420 -0.090 1.00 0.00 H ATOM 595 HH22 ARG B 60 16.291 -10.886 -0.821 1.00 0.00 H ATOM 596 HH21 ARG B 60 16.266 -12.025 -2.216 1.00 0.00 H ATOM 597 H ARG B 60 24.493 -10.890 -2.726 1.00 0.00 H ATOM 598 N VAL B 61 21.511 -10.782 -5.890 1.00 50.14 N ATOM 599 CA VAL B 61 20.512 -9.896 -6.483 1.00 50.50 C ATOM 600 C VAL B 61 19.193 -10.642 -6.643 1.00 50.13 C ATOM 601 O VAL B 61 19.160 -11.758 -7.163 1.00 50.17 O ATOM 602 CB VAL B 61 20.952 -9.359 -7.860 1.00 51.00 C ATOM 603 CG1 VAL B 61 20.087 -8.173 -8.261 1.00 51.64 C ATOM 604 CG2 VAL B 61 22.418 -8.957 -7.833 1.00 51.46 C ATOM 605 H VAL B 61 21.737 -11.678 -6.368 1.00 0.00 H ATOM 606 N ARG B 62 18.114 -10.009 -6.193 1.00 50.36 N ATOM 607 CA ARG B 62 16.773 -10.571 -6.292 1.00 50.74 C ATOM 608 C ARG B 62 16.173 -10.291 -7.672 1.00 52.90 C ATOM 609 O ARG B 62 15.952 -9.133 -8.029 1.00 53.93 O ATOM 610 CB ARG B 62 15.878 -9.961 -5.206 1.00 50.78 C ATOM 611 CG ARG B 62 14.420 -10.364 -5.372 1.00 50.64 C ATOM 612 CD ARG B 62 13.530 -9.977 -4.205 1.00 50.28 C ATOM 613 NE ARG B 62 12.202 -10.576 -4.359 1.00 49.93 N ATOM 614 CZ ARG B 62 11.280 -10.185 -5.241 1.00 48.98 C ATOM 615 NH1 ARG B 62 11.507 -9.173 -6.075 1.00 48.64 N ATOM 616 NH2 ARG B 62 10.109 -10.814 -5.290 1.00 48.16 N ATOM 617 HE ARG B 62 11.958 -11.369 -3.731 1.00 0.00 H ATOM 618 HH12 ARG B 62 10.774 -8.885 -6.755 1.00 0.00 H ATOM 619 HH11 ARG B 62 12.417 -8.670 -6.047 1.00 0.00 H ATOM 620 HH22 ARG B 62 9.386 -10.514 -5.975 1.00 0.00 H ATOM 621 HH21 ARG B 62 9.916 -11.605 -4.643 1.00 0.00 H ATOM 622 H ARG B 62 18.232 -9.074 -5.752 1.00 0.00 H ATOM 623 N LEU B 63 15.899 -11.351 -8.432 1.00 54.65 N ATOM 624 CA LEU B 63 15.147 -11.240 -9.688 1.00 55.14 C ATOM 625 C LEU B 63 13.683 -11.582 -9.412 1.00 55.04 C ATOM 626 O LEU B 63 12.780 -10.835 -9.792 1.00 55.19 O ATOM 627 CB LEU B 63 15.709 -12.176 -10.766 1.00 55.78 C ATOM 628 CG LEU B 63 17.218 -12.445 -10.809 1.00 57.16 C ATOM 629 CD1 LEU B 63 17.579 -13.168 -12.100 1.00 57.21 C ATOM 630 CD2 LEU B 63 18.033 -11.167 -10.660 1.00 58.13 C ATOM 631 H LEU B 63 16.229 -12.288 -8.125 1.00 0.00 H ATOM 632 N LEU B 64 13.469 -12.726 -8.761 1.00 55.55 N ATOM 633 CA LEU B 64 12.163 -13.127 -8.231 1.00 56.24 C ATOM 634 C LEU B 64 12.347 -13.632 -6.806 1.00 56.98 C ATOM 635 O LEU B 64 13.476 -13.844 -6.364 1.00 57.37 O ATOM 636 CB LEU B 64 11.555 -14.243 -9.081 1.00 55.50 C ATOM 637 CG LEU B 64 11.234 -13.914 -10.540 1.00 55.51 C ATOM 638 CD1 LEU B 64 10.935 -15.196 -11.303 1.00 55.48 C ATOM 639 CD2 LEU B 64 10.076 -12.930 -10.639 1.00 54.62 C ATOM 640 H LEU B 64 14.274 -13.370 -8.622 1.00 0.00 H ATOM 641 N ASN B 65 11.248 -13.845 -6.089 1.00 58.54 N ATOM 642 CA ASN B 65 11.321 -14.512 -4.783 1.00 61.88 C ATOM 643 C ASN B 65 11.902 -15.926 -4.921 1.00 61.54 C ATOM 644 O ASN B 65 12.515 -16.457 -3.994 1.00 60.50 O ATOM 645 CB ASN B 65 9.942 -14.557 -4.097 1.00 63.18 C ATOM 646 CG ASN B 65 8.955 -15.490 -4.790 1.00 65.36 C ATOM 647 OD1 ASN B 65 9.201 -15.983 -5.894 1.00 66.45 O ATOM 648 ND2 ASN B 65 7.820 -15.729 -4.140 1.00 66.41 N ATOM 649 HD22 ASN B 65 7.651 -15.294 -3.211 1.00 0.00 H ATOM 650 HD21 ASN B 65 7.101 -16.351 -4.561 1.00 0.00 H ATOM 651 H ASN B 65 10.326 -13.536 -6.457 1.00 0.00 H ATOM 652 N ASN B 66 11.706 -16.504 -6.105 1.00 62.21 N ATOM 653 CA ASN B 66 12.098 -17.870 -6.425 1.00 61.39 C ATOM 654 C ASN B 66 13.527 -17.975 -6.971 1.00 60.68 C ATOM 655 O ASN B 66 14.093 -19.071 -7.026 1.00 60.41 O ATOM 656 CB ASN B 66 11.128 -18.414 -7.489 1.00 61.05 C ATOM 657 CG ASN B 66 10.646 -19.821 -7.197 1.00 62.28 C ATOM 658 OD1 ASN B 66 9.529 -20.181 -7.569 1.00 62.33 O ATOM 659 ND2 ASN B 66 11.478 -20.627 -6.545 1.00 63.56 N ATOM 660 HD22 ASN B 66 12.413 -20.280 -6.249 1.00 0.00 H ATOM 661 HD21 ASN B 66 11.194 -21.604 -6.330 1.00 0.00 H ATOM 662 H ASN B 66 11.243 -15.944 -6.849 1.00 0.00 H ATOM 663 N TRP B 67 14.099 -16.841 -7.380 1.00 57.82 N ATOM 664 CA TRP B 67 15.306 -16.831 -8.201 1.00 55.47 C ATOM 665 C TRP B 67 16.251 -15.698 -7.798 1.00 54.55 C ATOM 666 O TRP B 67 15.859 -14.529 -7.758 1.00 52.43 O ATOM 667 CB TRP B 67 14.906 -16.692 -9.680 1.00 54.42 C ATOM 668 CG TRP B 67 15.969 -17.088 -10.699 1.00 53.82 C ATOM 669 CD1 TRP B 67 17.125 -17.788 -10.470 1.00 53.06 C ATOM 670 CD2 TRP B 67 15.933 -16.837 -12.113 1.00 52.27 C ATOM 671 NE1 TRP B 67 17.815 -17.962 -11.648 1.00 51.70 N ATOM 672 CE2 TRP B 67 17.104 -17.393 -12.670 1.00 50.96 C ATOM 673 CE3 TRP B 67 15.028 -16.185 -12.959 1.00 50.69 C ATOM 674 CZ2 TRP B 67 17.391 -17.318 -14.030 1.00 50.69 C ATOM 675 CZ3 TRP B 67 15.314 -16.116 -14.311 1.00 50.82 C ATOM 676 CH2 TRP B 67 16.486 -16.678 -14.833 1.00 50.44 C ATOM 677 HE1 TRP B 67 18.729 -18.448 -11.746 1.00 0.00 H ATOM 678 H TRP B 67 13.671 -15.934 -7.105 1.00 0.00 H ATOM 679 N ASP B 68 17.491 -16.066 -7.490 1.00 53.41 N ATOM 680 CA ASP B 68 18.556 -15.112 -7.210 1.00 54.60 C ATOM 681 C ASP B 68 19.732 -15.430 -8.113 1.00 55.03 C ATOM 682 O ASP B 68 19.869 -16.558 -8.593 1.00 55.47 O ATOM 683 CB ASP B 68 19.031 -15.209 -5.755 1.00 55.57 C ATOM 684 CG ASP B 68 17.911 -15.034 -4.750 1.00 56.63 C ATOM 685 OD1 ASP B 68 16.965 -14.267 -5.025 1.00 56.98 O ATOM 686 OD2 ASP B 68 17.994 -15.659 -3.669 1.00 58.23 O ATOM 687 H ASP B 68 17.711 -17.082 -7.447 1.00 0.00 H ATOM 688 N VAL B 69 20.582 -14.433 -8.334 1.00 54.82 N ATOM 689 CA VAL B 69 21.856 -14.633 -9.014 1.00 55.75 C ATOM 690 C VAL B 69 22.933 -13.901 -8.222 1.00 56.50 C ATOM 691 O VAL B 69 22.703 -12.799 -7.726 1.00 57.15 O ATOM 692 CB VAL B 69 21.806 -14.134 -10.480 1.00 55.97 C ATOM 693 CG1 VAL B 69 23.204 -13.973 -11.069 1.00 56.65 C ATOM 694 CG2 VAL B 69 20.989 -15.090 -11.336 1.00 55.49 C ATOM 695 H VAL B 69 20.330 -13.477 -8.011 1.00 0.00 H ATOM 696 N CYS B 70 24.095 -14.533 -8.085 1.00 59.04 N ATOM 697 CA CYS B 70 25.261 -13.876 -7.510 1.00 61.71 C ATOM 698 C CYS B 70 25.891 -13.012 -8.588 1.00 61.25 C ATOM 699 O CYS B 70 26.610 -13.511 -9.453 1.00 62.49 O ATOM 700 CB CYS B 70 26.268 -14.896 -6.974 1.00 63.91 C ATOM 701 SG CYS B 70 25.754 -15.642 -5.410 1.00 69.71 S ATOM 702 H CYS B 70 24.173 -15.522 -8.397 1.00 0.00 H ATOM 703 N ALA B 71 25.597 -11.716 -8.535 1.00 59.70 N ATOM 704 CA ALA B 71 26.058 -10.776 -9.547 1.00 58.34 C ATOM 705 C ALA B 71 27.482 -10.328 -9.263 1.00 56.47 C ATOM 706 O ALA B 71 27.731 -9.644 -8.277 1.00 57.34 O ATOM 707 CB ALA B 71 25.139 -9.569 -9.595 1.00 58.36 C ATOM 708 H ALA B 71 25.019 -11.363 -7.746 1.00 0.00 H ATOM 709 N ASP B 72 28.410 -10.719 -10.129 1.00 55.70 N ATOM 710 CA ASP B 72 29.777 -10.219 -10.065 1.00 54.40 C ATOM 711 C ASP B 72 29.837 -8.895 -10.805 1.00 52.49 C ATOM 712 O ASP B 72 29.468 -8.817 -11.977 1.00 52.40 O ATOM 713 CB ASP B 72 30.752 -11.213 -10.695 1.00 55.24 C ATOM 714 CG ASP B 72 30.713 -12.570 -10.025 1.00 56.52 C ATOM 715 OD1 ASP B 72 30.646 -12.620 -8.778 1.00 57.31 O ATOM 716 OD2 ASP B 72 30.747 -13.588 -10.749 1.00 59.41 O ATOM 717 H ASP B 72 28.154 -11.400 -10.872 1.00 0.00 H ATOM 718 N MET B 73 30.290 -7.854 -10.117 1.00 50.85 N ATOM 719 CA MET B 73 30.405 -6.535 -10.719 1.00 49.82 C ATOM 720 C MET B 73 31.830 -6.019 -10.612 1.00 48.63 C ATOM 721 O MET B 73 32.614 -6.491 -9.790 1.00 48.09 O ATOM 722 CB MET B 73 29.423 -5.565 -10.065 1.00 50.03 C ATOM 723 CG MET B 73 27.974 -5.999 -10.221 1.00 50.83 C ATOM 724 SD MET B 73 26.808 -4.631 -10.113 1.00 51.85 S ATOM 725 CE MET B 73 27.071 -4.143 -8.420 1.00 51.15 C ATOM 726 H MET B 73 30.569 -7.985 -9.124 1.00 0.00 H ATOM 727 N VAL B 74 32.151 -5.058 -11.471 1.00 47.22 N ATOM 728 CA VAL B 74 33.481 -4.471 -11.553 1.00 46.25 C ATOM 729 C VAL B 74 33.324 -2.961 -11.567 1.00 45.49 C ATOM 730 O VAL B 74 32.334 -2.440 -12.080 1.00 45.08 O ATOM 731 CB VAL B 74 34.213 -4.920 -12.837 1.00 46.54 C ATOM 732 CG1 VAL B 74 35.567 -4.231 -12.967 1.00 46.48 C ATOM 733 CG2 VAL B 74 34.375 -6.435 -12.857 1.00 46.61 C ATOM 734 H VAL B 74 31.416 -4.707 -12.117 1.00 0.00 H ATOM 735 N GLY B 75 34.299 -2.266 -10.991 1.00 45.39 N ATOM 736 CA GLY B 75 34.312 -0.810 -10.976 1.00 45.51 C ATOM 737 C GLY B 75 35.712 -0.277 -11.197 1.00 46.03 C ATOM 738 O GLY B 75 36.691 -0.891 -10.772 1.00 45.60 O ATOM 739 H GLY B 75 35.080 -2.780 -10.535 1.00 0.00 H ATOM 740 N THR B 76 35.803 0.861 -11.878 1.00 46.78 N ATOM 741 CA THR B 76 37.072 1.555 -12.076 1.00 46.69 C ATOM 742 C THR B 76 36.862 3.024 -11.741 1.00 45.26 C ATOM 743 O THR B 76 35.893 3.634 -12.193 1.00 45.07 O ATOM 744 CB THR B 76 37.587 1.409 -13.523 1.00 47.90 C ATOM 745 OG1 THR B 76 36.645 1.986 -14.437 1.00 47.98 O ATOM 746 CG2 THR B 76 37.803 -0.062 -13.872 1.00 47.78 C ATOM 747 HG1 THR B 76 36.983 1.888 -15.363 1.00 0.00 H ATOM 748 H THR B 76 34.939 1.272 -12.285 1.00 0.00 H ATOM 749 N PHE B 77 37.772 3.584 -10.951 1.00 43.60 N ATOM 750 CA PHE B 77 37.588 4.910 -10.380 1.00 42.58 C ATOM 751 C PHE B 77 38.446 5.957 -11.083 1.00 42.93 C ATOM 752 O PHE B 77 39.568 5.674 -11.501 1.00 43.93 O ATOM 753 CB PHE B 77 37.915 4.872 -8.886 1.00 42.22 C ATOM 754 CG PHE B 77 37.069 3.901 -8.109 1.00 41.91 C ATOM 755 CD1 PHE B 77 35.800 4.258 -7.675 1.00 41.91 C ATOM 756 CD2 PHE B 77 37.535 2.627 -7.815 1.00 42.33 C ATOM 757 CE1 PHE B 77 35.018 3.365 -6.963 1.00 41.26 C ATOM 758 CE2 PHE B 77 36.758 1.729 -7.102 1.00 42.15 C ATOM 759 CZ PHE B 77 35.496 2.099 -6.676 1.00 41.68 C ATOM 760 H PHE B 77 38.643 3.058 -10.734 1.00 0.00 H ATOM 761 N THR B 78 37.903 7.164 -11.211 1.00 42.82 N ATOM 762 CA THR B 78 38.624 8.298 -11.784 1.00 43.82 C ATOM 763 C THR B 78 38.779 9.396 -10.731 1.00 45.55 C ATOM 764 O THR B 78 37.799 9.820 -10.111 1.00 44.16 O ATOM 765 CB THR B 78 37.900 8.847 -13.034 1.00 43.58 C ATOM 766 OG1 THR B 78 38.128 7.962 -14.136 1.00 43.33 O ATOM 767 CG2 THR B 78 38.402 10.244 -13.414 1.00 43.57 C ATOM 768 HG1 THR B 78 37.665 8.311 -14.939 1.00 0.00 H ATOM 769 H THR B 78 36.924 7.307 -10.890 1.00 0.00 H ATOM 770 N ASP B 79 40.014 9.863 -10.553 1.00 46.61 N ATOM 771 CA ASP B 79 40.332 10.850 -9.525 1.00 47.94 C ATOM 772 C ASP B 79 39.720 12.208 -9.832 1.00 48.41 C ATOM 773 O ASP B 79 39.394 12.510 -10.978 1.00 49.52 O ATOM 774 CB ASP B 79 41.850 11.006 -9.377 1.00 49.14 C ATOM 775 CG ASP B 79 42.518 9.761 -8.820 1.00 50.07 C ATOM 776 OD1 ASP B 79 42.019 8.640 -9.061 1.00 50.05 O ATOM 777 OD2 ASP B 79 43.554 9.906 -8.141 1.00 51.89 O ATOM 778 H ASP B 79 40.777 9.513 -11.167 1.00 0.00 H ATOM 779 N THR B 80 39.562 13.015 -8.789 1.00 49.43 N ATOM 780 CA THR B 80 39.109 14.396 -8.925 1.00 51.01 C ATOM 781 C THR B 80 40.020 15.294 -8.088 1.00 52.15 C ATOM 782 O THR B 80 41.006 14.823 -7.519 1.00 51.94 O ATOM 783 CB THR B 80 37.636 14.559 -8.479 1.00 51.25 C ATOM 784 OG1 THR B 80 37.527 14.382 -7.061 1.00 49.78 O ATOM 785 CG2 THR B 80 36.736 13.553 -9.187 1.00 51.27 C ATOM 786 HG1 THR B 80 37.842 13.476 -6.818 1.00 0.00 H ATOM 787 H THR B 80 39.769 12.649 -7.838 1.00 0.00 H ATOM 788 N GLU B 81 39.692 16.582 -8.019 1.00 54.57 N ATOM 789 CA GLU B 81 40.437 17.529 -7.182 1.00 56.23 C ATOM 790 C GLU B 81 40.560 16.966 -5.764 1.00 54.53 C ATOM 791 O GLU B 81 41.651 16.918 -5.192 1.00 54.19 O ATOM 792 CB GLU B 81 39.737 18.896 -7.129 1.00 58.92 C ATOM 793 CG GLU B 81 39.525 19.600 -8.471 1.00 61.56 C ATOM 794 CD GLU B 81 40.772 20.289 -9.007 1.00 63.92 C ATOM 795 OE1 GLU B 81 40.648 21.433 -9.498 1.00 64.51 O ATOM 796 OE2 GLU B 81 41.871 19.694 -8.943 1.00 64.93 O ATOM 797 H GLU B 81 38.884 16.927 -8.575 1.00 0.00 H ATOM 798 N ASP B 82 39.425 16.536 -5.218 1.00 51.62 N ATOM 799 CA ASP B 82 39.352 15.955 -3.883 1.00 48.45 C ATOM 800 C ASP B 82 39.767 14.482 -3.933 1.00 46.92 C ATOM 801 O ASP B 82 39.196 13.712 -4.703 1.00 48.08 O ATOM 802 CB ASP B 82 37.925 16.086 -3.352 1.00 47.51 C ATOM 803 CG ASP B 82 37.802 15.696 -1.897 1.00 46.53 C ATOM 804 OD1 ASP B 82 38.277 14.604 -1.528 1.00 47.64 O ATOM 805 OD2 ASP B 82 37.212 16.477 -1.126 1.00 44.33 O ATOM 806 H ASP B 82 38.548 16.618 -5.770 1.00 0.00 H ATOM 807 N PRO B 83 40.752 14.080 -3.104 1.00 44.49 N ATOM 808 CA PRO B 83 41.263 12.702 -3.147 1.00 42.74 C ATOM 809 C PRO B 83 40.317 11.629 -2.577 1.00 41.79 C ATOM 810 O PRO B 83 40.555 10.439 -2.787 1.00 40.64 O ATOM 811 CB PRO B 83 42.550 12.781 -2.320 1.00 43.31 C ATOM 812 CG PRO B 83 42.329 13.911 -1.379 1.00 43.61 C ATOM 813 CD PRO B 83 41.455 14.898 -2.097 1.00 43.98 C ATOM 814 N ALA B 84 39.268 12.042 -1.864 1.00 40.54 N ATOM 815 CA ALA B 84 38.257 11.110 -1.355 1.00 40.22 C ATOM 816 C ALA B 84 37.031 10.971 -2.278 1.00 40.09 C ATOM 817 O ALA B 84 36.191 10.101 -2.052 1.00 40.40 O ATOM 818 CB ALA B 84 37.817 11.529 0.040 1.00 39.77 C ATOM 819 H ALA B 84 39.164 13.057 -1.663 1.00 0.00 H ATOM 820 N LYS B 85 36.933 11.816 -3.306 1.00 39.37 N ATOM 821 CA LYS B 85 35.789 11.810 -4.225 1.00 38.65 C ATOM 822 C LYS B 85 36.189 11.310 -5.603 1.00 40.10 C ATOM 823 O LYS B 85 37.007 11.934 -6.280 1.00 41.25 O ATOM 824 CB LYS B 85 35.207 13.211 -4.352 1.00 37.29 C ATOM 825 CG LYS B 85 34.639 13.744 -3.055 1.00 36.44 C ATOM 826 CD LYS B 85 33.982 15.095 -3.246 1.00 35.96 C ATOM 827 CE LYS B 85 33.330 15.541 -1.953 1.00 36.35 C ATOM 828 NZ LYS B 85 32.814 16.932 -2.011 1.00 36.70 N ATOM 829 HZ1 LYS B 85 33.600 17.584 -2.210 1.00 0.00 H ATOM 830 HZ2 LYS B 85 32.102 17.005 -2.765 1.00 0.00 H ATOM 831 HZ3 LYS B 85 32.380 17.178 -1.098 1.00 0.00 H ATOM 832 H LYS B 85 37.696 12.505 -3.462 1.00 0.00 H ATOM 833 N PHE B 86 35.603 10.186 -6.012 1.00 41.05 N ATOM 834 CA PHE B 86 35.922 9.553 -7.284 1.00 41.38 C ATOM 835 C PHE B 86 34.705 9.515 -8.206 1.00 41.92 C ATOM 836 O PHE B 86 33.591 9.858 -7.806 1.00 40.94 O ATOM 837 CB PHE B 86 36.411 8.125 -7.046 1.00 42.36 C ATOM 838 CG PHE B 86 37.644 8.036 -6.190 1.00 43.80 C ATOM 839 CD1 PHE B 86 37.543 7.953 -4.806 1.00 43.67 C ATOM 840 CD2 PHE B 86 38.908 8.025 -6.768 1.00 44.12 C ATOM 841 CE1 PHE B 86 38.676 7.867 -4.016 1.00 44.05 C ATOM 842 CE2 PHE B 86 40.044 7.938 -5.983 1.00 44.31 C ATOM 843 CZ PHE B 86 39.929 7.860 -4.605 1.00 44.49 C ATOM 844 H PHE B 86 34.889 9.743 -5.399 1.00 0.00 H ATOM 845 N LYS B 87 34.945 9.117 -9.451 1.00 42.25 N ATOM 846 CA LYS B 87 33.884 8.796 -10.397 1.00 43.18 C ATOM 847 C LYS B 87 34.025 7.325 -10.738 1.00 42.64 C ATOM 848 O LYS B 87 35.027 6.918 -11.325 1.00 43.65 O ATOM 849 CB LYS B 87 33.989 9.655 -11.663 1.00 44.64 C ATOM 850 CG LYS B 87 33.277 10.998 -11.580 1.00 45.95 C ATOM 851 CD LYS B 87 31.766 10.812 -11.501 1.00 47.76 C ATOM 852 CE LYS B 87 31.010 12.114 -11.708 1.00 48.94 C ATOM 853 NZ LYS B 87 29.537 11.890 -11.637 1.00 49.06 N ATOM 854 HZ1 LYS B 87 29.254 11.217 -12.377 1.00 0.00 H ATOM 855 HZ2 LYS B 87 29.291 11.504 -10.703 1.00 0.00 H ATOM 856 HZ3 LYS B 87 29.043 12.794 -11.781 1.00 0.00 H ATOM 857 H LYS B 87 35.933 9.031 -9.764 1.00 0.00 H ATOM 858 N MET B 88 33.030 6.530 -10.351 1.00 41.86 N ATOM 859 CA MET B 88 33.080 5.083 -10.525 1.00 41.77 C ATOM 860 C MET B 88 32.311 4.670 -11.772 1.00 42.14 C ATOM 861 O MET B 88 31.084 4.773 -11.824 1.00 42.37 O ATOM 862 CB MET B 88 32.503 4.367 -9.296 1.00 41.15 C ATOM 863 CG MET B 88 32.638 2.850 -9.347 1.00 41.37 C ATOM 864 SD MET B 88 31.953 1.976 -7.922 1.00 40.87 S ATOM 865 CE MET B 88 30.219 2.415 -8.030 1.00 41.37 C ATOM 866 H MET B 88 32.189 6.955 -9.910 1.00 0.00 H ATOM 867 N LYS B 89 33.049 4.216 -12.776 1.00 42.54 N ATOM 868 CA LYS B 89 32.467 3.579 -13.942 1.00 42.85 C ATOM 869 C LYS B 89 32.334 2.107 -13.580 1.00 41.40 C ATOM 870 O LYS B 89 33.337 1.454 -13.297 1.00 41.22 O ATOM 871 CB LYS B 89 33.381 3.773 -15.155 1.00 44.82 C ATOM 872 CG LYS B 89 32.756 3.410 -16.495 1.00 46.60 C ATOM 873 CD LYS B 89 33.705 3.690 -17.658 1.00 47.36 C ATOM 874 CE LYS B 89 34.892 2.734 -17.665 1.00 48.43 C ATOM 875 NZ LYS B 89 35.714 2.843 -18.905 1.00 49.46 N ATOM 876 HZ1 LYS B 89 35.123 2.623 -19.732 1.00 0.00 H ATOM 877 HZ2 LYS B 89 36.084 3.811 -18.990 1.00 0.00 H ATOM 878 HZ3 LYS B 89 36.506 2.171 -18.855 1.00 0.00 H ATOM 879 H LYS B 89 34.083 4.320 -12.726 1.00 0.00 H ATOM 880 N TYR B 90 31.105 1.591 -13.563 1.00 39.85 N ATOM 881 CA TYR B 90 30.847 0.239 -13.058 1.00 39.08 C ATOM 882 C TYR B 90 29.971 -0.580 -14.004 1.00 40.53 C ATOM 883 O TYR B 90 29.235 -0.027 -14.819 1.00 41.14 O ATOM 884 CB TYR B 90 30.202 0.307 -11.665 1.00 37.23 C ATOM 885 CG TYR B 90 28.760 0.779 -11.660 1.00 34.98 C ATOM 886 CD1 TYR B 90 28.449 2.133 -11.679 1.00 34.09 C ATOM 887 CD2 TYR B 90 27.710 -0.133 -11.634 1.00 34.04 C ATOM 888 CE1 TYR B 90 27.132 2.565 -11.676 1.00 33.38 C ATOM 889 CE2 TYR B 90 26.393 0.287 -11.630 1.00 33.36 C ATOM 890 CZ TYR B 90 26.109 1.636 -11.653 1.00 33.20 C ATOM 891 OH TYR B 90 24.798 2.052 -11.645 1.00 32.15 O ATOM 892 HH TYR B 90 24.767 3.041 -11.664 1.00 0.00 H ATOM 893 H TYR B 90 30.310 2.161 -13.916 1.00 0.00 H ATOM 894 N TRP B 91 30.050 -1.902 -13.876 1.00 41.90 N ATOM 895 CA TRP B 91 29.309 -2.808 -14.749 1.00 43.13 C ATOM 896 C TRP B 91 29.297 -4.236 -14.223 1.00 44.37 C ATOM 897 O TRP B 91 30.125 -4.611 -13.396 1.00 43.88 O ATOM 898 CB TRP B 91 29.930 -2.809 -16.149 1.00 43.65 C ATOM 899 CG TRP B 91 31.361 -3.303 -16.196 1.00 43.26 C ATOM 900 CD1 TRP B 91 31.778 -4.594 -16.351 1.00 43.73 C ATOM 901 CD2 TRP B 91 32.551 -2.509 -16.104 1.00 43.50 C ATOM 902 NE1 TRP B 91 33.150 -4.655 -16.356 1.00 44.19 N ATOM 903 CE2 TRP B 91 33.650 -3.389 -16.208 1.00 43.79 C ATOM 904 CE3 TRP B 91 32.795 -1.140 -15.944 1.00 43.78 C ATOM 905 CZ2 TRP B 91 34.973 -2.946 -16.153 1.00 43.65 C ATOM 906 CZ3 TRP B 91 34.113 -0.699 -15.890 1.00 43.68 C ATOM 907 CH2 TRP B 91 35.184 -1.602 -15.995 1.00 43.79 C ATOM 908 HE1 TRP B 91 33.717 -5.521 -16.456 1.00 0.00 H ATOM 909 H TRP B 91 30.657 -2.302 -13.132 1.00 0.00 H ATOM 910 N GLY B 92 28.359 -5.032 -14.723 1.00 46.77 N ATOM 911 CA GLY B 92 28.355 -6.470 -14.476 1.00 48.57 C ATOM 912 C GLY B 92 29.243 -7.146 -15.498 1.00 50.87 C ATOM 913 O GLY B 92 29.286 -6.723 -16.652 1.00 50.96 O ATOM 914 H GLY B 92 27.605 -4.618 -15.308 1.00 0.00 H ATOM 915 N VAL B 93 29.946 -8.197 -15.082 1.00 53.44 N ATOM 916 CA VAL B 93 30.918 -8.869 -15.960 1.00 55.55 C ATOM 917 C VAL B 93 30.309 -9.390 -17.268 1.00 56.55 C ATOM 918 O VAL B 93 30.958 -9.340 -18.313 1.00 57.72 O ATOM 919 CB VAL B 93 31.681 -10.012 -15.247 1.00 55.49 C ATOM 920 CG1 VAL B 93 32.547 -9.455 -14.124 1.00 55.77 C ATOM 921 CG2 VAL B 93 30.733 -11.091 -14.729 1.00 55.85 C ATOM 922 H VAL B 93 29.805 -8.552 -14.114 1.00 0.00 H ATOM 923 N ALA B 94 29.074 -9.885 -17.211 1.00 56.22 N ATOM 924 CA ALA B 94 28.381 -10.342 -18.417 1.00 55.38 C ATOM 925 C ALA B 94 28.012 -9.157 -19.299 1.00 55.82 C ATOM 926 O ALA B 94 28.261 -9.171 -20.505 1.00 59.36 O ATOM 927 CB ALA B 94 27.136 -11.136 -18.058 1.00 55.47 C ATOM 928 H ALA B 94 28.592 -9.948 -16.291 1.00 0.00 H ATOM 929 N SER B 95 27.437 -8.124 -18.690 1.00 53.75 N ATOM 930 CA SER B 95 27.009 -6.935 -19.420 1.00 51.47 C ATOM 931 C SER B 95 28.090 -5.849 -19.462 1.00 50.78 C ATOM 932 O SER B 95 27.787 -4.665 -19.310 1.00 49.15 O ATOM 933 CB SER B 95 25.723 -6.384 -18.798 1.00 51.45 C ATOM 934 OG SER B 95 25.909 -6.056 -17.430 1.00 50.53 O ATOM 935 HG SER B 95 26.617 -5.369 -17.350 1.00 0.00 H ATOM 936 H SER B 95 27.288 -8.165 -17.662 1.00 0.00 H ATOM 937 N PHE B 96 29.343 -6.244 -19.694 1.00 50.65 N ATOM 938 CA PHE B 96 30.460 -5.287 -19.726 1.00 50.96 C ATOM 939 C PHE B 96 30.306 -4.228 -20.829 1.00 51.06 C ATOM 940 O PHE B 96 30.832 -3.123 -20.709 1.00 50.45 O ATOM 941 CB PHE B 96 31.819 -6.005 -19.832 1.00 50.60 C ATOM 942 CG PHE B 96 32.058 -6.691 -21.151 1.00 51.58 C ATOM 943 CD1 PHE B 96 32.611 -5.997 -22.222 1.00 52.10 C ATOM 944 CD2 PHE B 96 31.755 -8.037 -21.317 1.00 51.73 C ATOM 945 CE1 PHE B 96 32.836 -6.629 -23.434 1.00 52.00 C ATOM 946 CE2 PHE B 96 31.980 -8.672 -22.525 1.00 52.12 C ATOM 947 CZ PHE B 96 32.522 -7.968 -23.586 1.00 52.17 C ATOM 948 H PHE B 96 29.535 -7.253 -19.856 1.00 0.00 H ATOM 949 N LEU B 97 29.582 -4.567 -21.892 1.00 51.98 N ATOM 950 CA LEU B 97 29.232 -3.593 -22.927 1.00 53.81 C ATOM 951 C LEU B 97 28.447 -2.423 -22.327 1.00 53.43 C ATOM 952 O LEU B 97 28.709 -1.265 -22.646 1.00 52.82 O ATOM 953 CB LEU B 97 28.414 -4.264 -24.034 1.00 54.30 C ATOM 954 CG LEU B 97 29.159 -5.316 -24.869 1.00 55.11 C ATOM 955 CD1 LEU B 97 28.199 -6.243 -25.602 1.00 55.14 C ATOM 956 CD2 LEU B 97 30.103 -4.640 -25.850 1.00 55.53 C ATOM 957 H LEU B 97 29.256 -5.550 -21.990 1.00 0.00 H ATOM 958 N GLN B 98 27.499 -2.748 -21.450 1.00 53.23 N ATOM 959 CA GLN B 98 26.687 -1.759 -20.738 1.00 53.37 C ATOM 960 C GLN B 98 27.340 -1.360 -19.411 1.00 49.96 C ATOM 961 O GLN B 98 27.697 -2.221 -18.616 1.00 49.09 O ATOM 962 CB GLN B 98 25.299 -2.344 -20.461 1.00 55.33 C ATOM 963 CG GLN B 98 24.478 -2.641 -21.710 1.00 57.54 C ATOM 964 CD GLN B 98 23.800 -1.411 -22.293 1.00 59.00 C ATOM 965 OE1 GLN B 98 23.986 -0.290 -21.816 1.00 59.41 O ATOM 966 NE2 GLN B 98 22.997 -1.621 -23.328 1.00 60.59 N ATOM 967 HE22 GLN B 98 22.868 -2.584 -23.699 1.00 0.00 H ATOM 968 HE21 GLN B 98 22.496 -0.823 -23.768 1.00 0.00 H ATOM 969 H GLN B 98 27.326 -3.756 -21.261 1.00 0.00 H ATOM 970 N LYS B 99 27.479 -0.060 -19.165 1.00 47.98 N ATOM 971 CA LYS B 99 28.141 0.424 -17.950 1.00 46.90 C ATOM 972 C LYS B 99 27.397 1.587 -17.300 1.00 43.55 C ATOM 973 O LYS B 99 26.806 2.421 -17.984 1.00 42.47 O ATOM 974 CB LYS B 99 29.575 0.864 -18.266 1.00 49.11 C ATOM 975 CG LYS B 99 30.422 -0.188 -18.968 1.00 51.30 C ATOM 976 CD LYS B 99 31.859 0.280 -19.137 1.00 53.63 C ATOM 977 CE LYS B 99 32.714 -0.794 -19.787 1.00 55.47 C ATOM 978 NZ LYS B 99 34.148 -0.400 -19.862 1.00 57.81 N ATOM 979 HZ1 LYS B 99 34.238 0.470 -20.424 1.00 0.00 H ATOM 980 HZ2 LYS B 99 34.511 -0.233 -18.902 1.00 0.00 H ATOM 981 HZ3 LYS B 99 34.693 -1.163 -20.312 1.00 0.00 H ATOM 982 H LYS B 99 27.109 0.629 -19.851 1.00 0.00 H ATOM 983 N GLY B 100 27.441 1.633 -15.972 1.00 41.14 N ATOM 984 CA GLY B 100 26.904 2.756 -15.207 1.00 40.03 C ATOM 985 C GLY B 100 28.019 3.680 -14.751 1.00 38.74 C ATOM 986 O GLY B 100 29.196 3.348 -14.874 1.00 37.36 O ATOM 987 H GLY B 100 27.874 0.839 -15.458 1.00 0.00 H ATOM 988 N ASN B 101 27.646 4.838 -14.213 1.00 38.06 N ATOM 989 CA ASN B 101 28.619 5.839 -13.801 1.00 38.50 C ATOM 990 C ASN B 101 28.142 6.639 -12.586 1.00 37.65 C ATOM 991 O ASN B 101 27.239 7.465 -12.704 1.00 37.65 O ATOM 992 CB ASN B 101 28.910 6.778 -14.970 1.00 39.64 C ATOM 993 CG ASN B 101 30.097 7.679 -14.712 1.00 40.61 C ATOM 994 OD1 ASN B 101 29.960 8.903 -14.649 1.00 41.06 O ATOM 995 ND2 ASN B 101 31.271 7.078 -14.550 1.00 40.86 N ATOM 996 HD22 ASN B 101 31.338 6.042 -14.612 1.00 0.00 H ATOM 997 HD21 ASN B 101 32.123 7.644 -14.361 1.00 0.00 H ATOM 998 H ASN B 101 26.633 5.033 -14.083 1.00 0.00 H ATOM 999 N ASP B 102 28.765 6.399 -11.430 1.00 36.44 N ATOM 1000 CA ASP B 102 28.349 7.014 -10.163 1.00 35.54 C ATOM 1001 C ASP B 102 29.451 7.830 -9.496 1.00 34.67 C ATOM 1002 O ASP B 102 30.640 7.583 -9.706 1.00 34.05 O ATOM 1003 CB ASP B 102 27.931 5.922 -9.167 1.00 36.19 C ATOM 1004 CG ASP B 102 26.532 5.391 -9.410 1.00 36.28 C ATOM 1005 OD1 ASP B 102 25.726 6.067 -10.080 1.00 36.47 O ATOM 1006 OD2 ASP B 102 26.232 4.291 -8.897 1.00 36.79 O ATOM 1007 H ASP B 102 29.578 5.750 -11.427 1.00 0.00 H ATOM 1008 N ASP B 103 29.040 8.792 -8.673 1.00 34.42 N ATOM 1009 CA ASP B 103 29.923 9.368 -7.663 1.00 34.89 C ATOM 1010 C ASP B 103 30.267 8.266 -6.661 1.00 34.23 C ATOM 1011 O ASP B 103 29.436 7.409 -6.354 1.00 33.83 O ATOM 1012 CB ASP B 103 29.246 10.523 -6.911 1.00 35.75 C ATOM 1013 CG ASP B 103 29.088 11.779 -7.756 1.00 36.88 C ATOM 1014 OD1 ASP B 103 29.698 11.869 -8.844 1.00 37.32 O ATOM 1015 OD2 ASP B 103 28.351 12.690 -7.313 1.00 37.72 O ATOM 1016 H ASP B 103 28.064 9.143 -8.751 1.00 0.00 H ATOM 1017 N HIS B 104 31.494 8.290 -6.158 1.00 33.42 N ATOM 1018 CA HIS B 104 31.922 7.341 -5.138 1.00 33.32 C ATOM 1019 C HIS B 104 32.796 8.095 -4.149 1.00 32.27 C ATOM 1020 O HIS B 104 33.948 8.418 -4.444 1.00 32.26 O ATOM 1021 CB HIS B 104 32.673 6.168 -5.768 1.00 33.80 C ATOM 1022 CG HIS B 104 32.987 5.065 -4.808 1.00 34.90 C ATOM 1023 ND1 HIS B 104 32.254 3.899 -4.749 1.00 35.22 N ATOM 1024 CD2 HIS B 104 33.963 4.942 -3.876 1.00 35.27 C ATOM 1025 CE1 HIS B 104 32.763 3.107 -3.823 1.00 34.90 C ATOM 1026 NE2 HIS B 104 33.798 3.718 -3.276 1.00 35.13 N ATOM 1027 H HIS B 104 32.168 9.004 -6.500 1.00 0.00 H ATOM 1028 N TRP B 105 32.214 8.397 -2.992 1.00 30.93 N ATOM 1029 CA TRP B 105 32.850 9.209 -1.969 1.00 30.31 C ATOM 1030 C TRP B 105 33.175 8.335 -0.770 1.00 30.64 C ATOM 1031 O TRP B 105 32.282 7.695 -0.218 1.00 30.98 O ATOM 1032 CB TRP B 105 31.899 10.320 -1.517 1.00 29.18 C ATOM 1033 CG TRP B 105 31.649 11.392 -2.528 1.00 28.58 C ATOM 1034 CD1 TRP B 105 32.030 11.403 -3.843 1.00 28.50 C ATOM 1035 CD2 TRP B 105 30.924 12.606 -2.315 1.00 27.97 C ATOM 1036 NE1 TRP B 105 31.603 12.555 -4.449 1.00 27.67 N ATOM 1037 CE2 TRP B 105 30.919 13.310 -3.536 1.00 27.64 C ATOM 1038 CE3 TRP B 105 30.281 13.168 -1.206 1.00 28.11 C ATOM 1039 CZ2 TRP B 105 30.297 14.549 -3.684 1.00 27.88 C ATOM 1040 CZ3 TRP B 105 29.662 14.402 -1.351 1.00 28.51 C ATOM 1041 CH2 TRP B 105 29.674 15.079 -2.586 1.00 28.39 C ATOM 1042 HE1 TRP B 105 31.772 12.814 -5.442 1.00 0.00 H ATOM 1043 H TRP B 105 31.256 8.034 -2.811 1.00 0.00 H ATOM 1044 N ILE B 106 34.443 8.311 -0.369 1.00 31.01 N ATOM 1045 CA ILE B 106 34.828 7.704 0.900 1.00 31.75 C ATOM 1046 C ILE B 106 34.628 8.765 1.975 1.00 31.39 C ATOM 1047 O ILE B 106 35.457 9.652 2.146 1.00 31.90 O ATOM 1048 CB ILE B 106 36.286 7.198 0.888 1.00 32.69 C ATOM 1049 CG1 ILE B 106 36.504 6.211 -0.267 1.00 32.82 C ATOM 1050 CG2 ILE B 106 36.644 6.555 2.223 1.00 33.05 C ATOM 1051 CD1 ILE B 106 35.569 5.019 -0.261 1.00 33.67 C ATOM 1052 H ILE B 106 35.176 8.734 -0.974 1.00 0.00 H ATOM 1053 N VAL B 107 33.507 8.671 2.684 1.00 31.66 N ATOM 1054 CA VAL B 107 33.098 9.703 3.635 1.00 31.56 C ATOM 1055 C VAL B 107 34.046 9.729 4.828 1.00 31.99 C ATOM 1056 O VAL B 107 34.440 10.797 5.299 1.00 31.56 O ATOM 1057 CB VAL B 107 31.649 9.481 4.119 1.00 31.74 C ATOM 1058 CG1 VAL B 107 31.246 10.541 5.135 1.00 31.73 C ATOM 1059 CG2 VAL B 107 30.685 9.494 2.937 1.00 32.26 C ATOM 1060 H VAL B 107 32.901 7.835 2.558 1.00 0.00 H ATOM 1061 N ASP B 108 34.398 8.545 5.313 1.00 32.62 N ATOM 1062 CA ASP B 108 35.369 8.405 6.388 1.00 33.01 C ATOM 1063 C ASP B 108 35.823 6.956 6.469 1.00 32.66 C ATOM 1064 O ASP B 108 35.118 6.053 6.022 1.00 32.34 O ATOM 1065 CB ASP B 108 34.761 8.838 7.727 1.00 33.51 C ATOM 1066 CG ASP B 108 35.810 9.301 8.733 1.00 34.77 C ATOM 1067 OD1 ASP B 108 37.013 8.996 8.553 1.00 34.58 O ATOM 1068 OD2 ASP B 108 35.418 9.975 9.710 1.00 34.91 O ATOM 1069 H ASP B 108 33.966 7.689 4.912 1.00 0.00 H ATOM 1070 N THR B 109 37.009 6.748 7.031 1.00 32.34 N ATOM 1071 CA THR B 109 37.554 5.407 7.224 1.00 31.93 C ATOM 1072 C THR B 109 38.787 5.464 8.126 1.00 32.76 C ATOM 1073 O THR B 109 39.398 6.523 8.291 1.00 33.00 O ATOM 1074 CB THR B 109 37.935 4.749 5.881 1.00 31.60 C ATOM 1075 OG1 THR B 109 38.353 3.395 6.099 1.00 30.62 O ATOM 1076 CG2 THR B 109 39.058 5.518 5.184 1.00 32.06 C ATOM 1077 HG1 THR B 109 37.613 2.885 6.514 1.00 0.00 H ATOM 1078 H THR B 109 37.568 7.568 7.344 1.00 0.00 H ATOM 1079 N ASP B 110 39.128 4.326 8.725 1.00 33.03 N ATOM 1080 CA ASP B 110 40.410 4.165 9.414 1.00 32.58 C ATOM 1081 C ASP B 110 41.272 3.103 8.740 1.00 32.20 C ATOM 1082 O ASP B 110 42.324 2.736 9.259 1.00 32.07 O ATOM 1083 CB ASP B 110 40.212 3.852 10.907 1.00 32.42 C ATOM 1084 CG ASP B 110 39.520 2.520 11.161 1.00 32.42 C ATOM 1085 OD1 ASP B 110 39.333 1.707 10.223 1.00 32.20 O ATOM 1086 OD2 ASP B 110 39.155 2.291 12.333 1.00 32.86 O ATOM 1087 H ASP B 110 38.464 3.526 8.703 1.00 0.00 H ATOM 1088 N TYR B 111 40.808 2.606 7.594 1.00 31.91 N ATOM 1089 CA TYR B 111 41.551 1.667 6.747 1.00 31.81 C ATOM 1090 C TYR B 111 41.638 0.229 7.252 1.00 32.63 C ATOM 1091 O TYR B 111 41.769 -0.684 6.432 1.00 31.61 O ATOM 1092 CB TYR B 111 42.956 2.195 6.429 1.00 31.53 C ATOM 1093 CG TYR B 111 42.944 3.561 5.788 1.00 31.02 C ATOM 1094 CD1 TYR B 111 42.648 3.711 4.437 1.00 31.12 C ATOM 1095 CD2 TYR B 111 43.221 4.703 6.532 1.00 30.63 C ATOM 1096 CE1 TYR B 111 42.630 4.960 3.843 1.00 31.09 C ATOM 1097 CE2 TYR B 111 43.206 5.957 5.948 1.00 30.85 C ATOM 1098 CZ TYR B 111 42.911 6.081 4.603 1.00 31.05 C ATOM 1099 OH TYR B 111 42.896 7.323 4.018 1.00 30.29 O ATOM 1100 HH TYR B 111 43.789 7.740 4.108 1.00 0.00 H ATOM 1101 H TYR B 111 39.861 2.902 7.281 1.00 0.00 H ATOM 1102 N ASP B 112 41.563 0.005 8.566 1.00 34.41 N ATOM 1103 CA ASP B 112 41.720 -1.360 9.101 1.00 36.30 C ATOM 1104 C ASP B 112 40.561 -1.915 9.944 1.00 35.21 C ATOM 1105 O ASP B 112 40.636 -3.060 10.387 1.00 36.87 O ATOM 1106 CB ASP B 112 43.065 -1.511 9.847 1.00 38.48 C ATOM 1107 CG ASP B 112 43.264 -0.474 10.942 1.00 40.16 C ATOM 1108 OD1 ASP B 112 42.269 0.078 11.454 1.00 42.07 O ATOM 1109 OD2 ASP B 112 44.432 -0.211 11.294 1.00 43.20 O ATOM 1110 H ASP B 112 41.393 0.798 9.216 1.00 0.00 H ATOM 1111 N THR B 113 39.496 -1.140 10.157 1.00 34.21 N ATOM 1112 CA THR B 113 38.269 -1.697 10.760 1.00 33.38 C ATOM 1113 C THR B 113 36.979 -1.332 10.012 1.00 33.54 C ATOM 1114 O THR B 113 36.187 -2.220 9.697 1.00 33.33 O ATOM 1115 CB THR B 113 38.109 -1.311 12.245 1.00 32.80 C ATOM 1116 OG1 THR B 113 37.883 0.097 12.367 1.00 32.00 O ATOM 1117 CG2 THR B 113 39.345 -1.720 13.047 1.00 32.96 C ATOM 1118 HG1 THR B 113 38.653 0.588 11.985 1.00 0.00 H ATOM 1119 H THR B 113 39.531 -0.134 9.896 1.00 0.00 H ATOM 1120 N TYR B 114 36.767 -0.042 9.739 1.00 33.19 N ATOM 1121 CA TYR B 114 35.513 0.429 9.138 1.00 33.07 C ATOM 1122 C TYR B 114 35.722 1.364 7.939 1.00 32.56 C ATOM 1123 O TYR B 114 36.803 1.905 7.724 1.00 33.70 O ATOM 1124 CB TYR B 114 34.686 1.177 10.188 1.00 32.91 C ATOM 1125 CG TYR B 114 35.072 2.629 10.286 1.00 33.21 C ATOM 1126 CD1 TYR B 114 36.125 3.037 11.101 1.00 33.54 C ATOM 1127 CD2 TYR B 114 34.416 3.592 9.523 1.00 33.44 C ATOM 1128 CE1 TYR B 114 36.498 4.370 11.171 1.00 33.58 C ATOM 1129 CE2 TYR B 114 34.784 4.922 9.582 1.00 33.48 C ATOM 1130 CZ TYR B 114 35.824 5.308 10.405 1.00 33.46 C ATOM 1131 OH TYR B 114 36.178 6.634 10.458 1.00 33.57 O ATOM 1132 HH TYR B 114 36.450 6.938 9.556 1.00 0.00 H ATOM 1133 H TYR B 114 37.512 0.649 9.959 1.00 0.00 H ATOM 1134 N ALA B 115 34.652 1.559 7.178 1.00 31.83 N ATOM 1135 CA ALA B 115 34.590 2.610 6.166 1.00 30.93 C ATOM 1136 C ALA B 115 33.136 2.977 5.910 1.00 29.92 C ATOM 1137 O ALA B 115 32.256 2.113 5.958 1.00 29.42 O ATOM 1138 CB ALA B 115 35.251 2.157 4.874 1.00 30.69 C ATOM 1139 H ALA B 115 33.827 0.940 7.307 1.00 0.00 H ATOM 1140 N VAL B 116 32.893 4.258 5.655 1.00 28.92 N ATOM 1141 CA VAL B 116 31.578 4.730 5.232 1.00 28.84 C ATOM 1142 C VAL B 116 31.692 5.298 3.825 1.00 28.72 C ATOM 1143 O VAL B 116 32.481 6.211 3.581 1.00 29.12 O ATOM 1144 CB VAL B 116 31.013 5.807 6.178 1.00 28.41 C ATOM 1145 CG1 VAL B 116 29.615 6.230 5.731 1.00 28.15 C ATOM 1146 CG2 VAL B 116 30.986 5.290 7.611 1.00 28.07 C ATOM 1147 H VAL B 116 33.665 4.947 5.760 1.00 0.00 H ATOM 1148 N GLN B 117 30.903 4.739 2.909 1.00 28.85 N ATOM 1149 CA GLN B 117 30.869 5.158 1.512 1.00 28.37 C ATOM 1150 C GLN B 117 29.534 5.855 1.235 1.00 28.72 C ATOM 1151 O GLN B 117 28.555 5.616 1.941 1.00 28.58 O ATOM 1152 CB GLN B 117 31.072 3.934 0.611 1.00 28.37 C ATOM 1153 CG GLN B 117 30.872 4.160 -0.885 1.00 28.53 C ATOM 1154 CD GLN B 117 29.413 4.106 -1.315 1.00 29.08 C ATOM 1155 OE1 GLN B 117 28.536 3.704 -0.546 1.00 29.22 O ATOM 1156 NE2 GLN B 117 29.147 4.509 -2.552 1.00 29.63 N ATOM 1157 HE22 GLN B 117 29.917 4.841 -3.168 1.00 0.00 H ATOM 1158 HE21 GLN B 117 28.169 4.493 -2.905 1.00 0.00 H ATOM 1159 H GLN B 117 30.278 3.962 3.205 1.00 0.00 H ATOM 1160 N TYR B 118 29.505 6.721 0.219 1.00 28.67 N ATOM 1161 CA TYR B 118 28.304 7.482 -0.138 1.00 28.72 C ATOM 1162 C TYR B 118 28.262 7.788 -1.636 1.00 29.37 C ATOM 1163 O TYR B 118 29.304 7.918 -2.281 1.00 29.78 O ATOM 1164 CB TYR B 118 28.267 8.783 0.658 1.00 28.53 C ATOM 1165 CG TYR B 118 27.078 9.679 0.380 1.00 28.95 C ATOM 1166 CD1 TYR B 118 25.877 9.511 1.061 1.00 28.92 C ATOM 1167 CD2 TYR B 118 27.163 10.715 -0.552 1.00 29.14 C ATOM 1168 CE1 TYR B 118 24.790 10.338 0.814 1.00 29.15 C ATOM 1169 CE2 TYR B 118 26.083 11.546 -0.803 1.00 28.44 C ATOM 1170 CZ TYR B 118 24.901 11.357 -0.121 1.00 28.96 C ATOM 1171 OH TYR B 118 23.829 12.189 -0.370 1.00 28.75 O ATOM 1172 HH TYR B 118 23.065 11.919 0.198 1.00 0.00 H ATOM 1173 H TYR B 118 30.370 6.861 -0.342 1.00 0.00 H ATOM 1174 N SER B 119 27.054 7.896 -2.183 1.00 29.56 N ATOM 1175 CA SER B 119 26.868 8.283 -3.582 1.00 30.51 C ATOM 1176 C SER B 119 25.533 8.982 -3.765 1.00 31.19 C ATOM 1177 O SER B 119 24.498 8.442 -3.379 1.00 31.13 O ATOM 1178 CB SER B 119 26.928 7.055 -4.487 1.00 30.54 C ATOM 1179 OG SER B 119 26.862 7.417 -5.855 1.00 30.44 O ATOM 1180 HG SER B 119 27.625 8.008 -6.076 1.00 0.00 H ATOM 1181 H SER B 119 26.216 7.699 -1.599 1.00 0.00 H ATOM 1182 N CYS B 120 25.561 10.191 -4.325 1.00 32.93 N ATOM 1183 CA CYS B 120 24.334 10.884 -4.732 1.00 34.76 C ATOM 1184 C CYS B 120 24.191 10.785 -6.240 1.00 33.83 C ATOM 1185 O CYS B 120 25.099 11.168 -6.977 1.00 32.98 O ATOM 1186 CB CYS B 120 24.349 12.356 -4.322 1.00 36.94 C ATOM 1187 SG CYS B 120 22.747 13.183 -4.539 1.00 39.43 S ATOM 1188 H CYS B 120 26.479 10.656 -4.478 1.00 0.00 H ATOM 1189 N ARG B 121 23.052 10.261 -6.688 1.00 33.06 N ATOM 1190 CA ARG B 121 22.768 10.107 -8.114 1.00 32.32 C ATOM 1191 C ARG B 121 21.945 11.261 -8.679 1.00 32.59 C ATOM 1192 O ARG B 121 21.889 11.444 -9.895 1.00 33.23 O ATOM 1193 CB ARG B 121 22.034 8.791 -8.368 1.00 31.44 C ATOM 1194 CG ARG B 121 22.950 7.586 -8.396 1.00 31.04 C ATOM 1195 CD ARG B 121 22.170 6.281 -8.399 1.00 30.32 C ATOM 1196 NE ARG B 121 23.065 5.142 -8.593 1.00 29.92 N ATOM 1197 CZ ARG B 121 22.719 3.863 -8.452 1.00 29.16 C ATOM 1198 NH1 ARG B 121 21.481 3.517 -8.105 1.00 28.91 N ATOM 1199 NH2 ARG B 121 23.627 2.919 -8.657 1.00 28.79 N ATOM 1200 HE ARG B 121 24.049 5.346 -8.862 1.00 0.00 H ATOM 1201 HH12 ARG B 121 21.232 2.513 -8.000 1.00 0.00 H ATOM 1202 HH11 ARG B 121 20.763 4.251 -7.939 1.00 0.00 H ATOM 1203 HH22 ARG B 121 23.369 1.917 -8.550 1.00 0.00 H ATOM 1204 HH21 ARG B 121 24.597 3.180 -8.925 1.00 0.00 H ATOM 1205 H ARG B 121 22.338 9.950 -5.999 1.00 0.00 H ATOM 1206 N LEU B 122 21.304 12.029 -7.803 1.00 32.54 N ATOM 1207 CA LEU B 122 20.377 13.060 -8.234 1.00 33.13 C ATOM 1208 C LEU B 122 20.175 14.088 -7.130 1.00 33.58 C ATOM 1209 O LEU B 122 19.886 13.727 -5.988 1.00 33.65 O ATOM 1210 CB LEU B 122 19.033 12.420 -8.597 1.00 33.17 C ATOM 1211 CG LEU B 122 17.993 13.294 -9.297 1.00 33.06 C ATOM 1212 CD1 LEU B 122 18.444 13.636 -10.711 1.00 33.42 C ATOM 1213 CD2 LEU B 122 16.648 12.580 -9.311 1.00 33.48 C ATOM 1214 H LEU B 122 21.470 11.888 -6.786 1.00 0.00 H ATOM 1215 N LEU B 123 20.312 15.365 -7.478 1.00 34.36 N ATOM 1216 CA LEU B 123 20.116 16.451 -6.518 1.00 35.40 C ATOM 1217 C LEU B 123 18.697 16.990 -6.573 1.00 35.21 C ATOM 1218 O LEU B 123 18.107 17.099 -7.648 1.00 35.04 O ATOM 1219 CB LEU B 123 21.081 17.609 -6.801 1.00 36.16 C ATOM 1220 CG LEU B 123 22.560 17.404 -6.474 1.00 36.56 C ATOM 1221 CD1 LEU B 123 23.364 18.630 -6.884 1.00 36.89 C ATOM 1222 CD2 LEU B 123 22.751 17.113 -4.994 1.00 36.38 C ATOM 1223 H LEU B 123 20.565 15.597 -8.460 1.00 0.00 H ATOM 1224 N ASN B 124 18.159 17.332 -5.408 1.00 35.41 N ATOM 1225 CA ASN B 124 16.985 18.187 -5.338 1.00 36.77 C ATOM 1226 C ASN B 124 17.396 19.605 -5.724 1.00 36.55 C ATOM 1227 O ASN B 124 18.590 19.914 -5.816 1.00 34.73 O ATOM 1228 CB ASN B 124 16.385 18.186 -3.929 1.00 37.59 C ATOM 1229 CG ASN B 124 15.705 16.874 -3.582 1.00 38.67 C ATOM 1230 OD1 ASN B 124 14.751 16.465 -4.245 1.00 39.42 O ATOM 1231 ND2 ASN B 124 16.181 16.215 -2.531 1.00 39.68 N ATOM 1232 HD22 ASN B 124 16.989 16.598 -2.000 1.00 0.00 H ATOM 1233 HD21 ASN B 124 15.746 15.317 -2.240 1.00 0.00 H ATOM 1234 H ASN B 124 18.586 16.981 -4.527 1.00 0.00 H ATOM 1235 N LEU B 125 16.407 20.464 -5.947 1.00 36.95 N ATOM 1236 CA LEU B 125 16.671 21.871 -6.252 1.00 36.58 C ATOM 1237 C LEU B 125 17.397 22.575 -5.101 1.00 36.71 C ATOM 1238 O LEU B 125 18.250 23.426 -5.336 1.00 37.96 O ATOM 1239 CB LEU B 125 15.370 22.606 -6.573 1.00 36.27 C ATOM 1240 CG LEU B 125 14.627 22.172 -7.836 1.00 35.72 C ATOM 1241 CD1 LEU B 125 13.354 22.993 -7.973 1.00 35.76 C ATOM 1242 CD2 LEU B 125 15.506 22.316 -9.071 1.00 35.27 C ATOM 1243 H LEU B 125 15.423 20.129 -5.904 1.00 0.00 H ATOM 1244 N ASP B 126 17.077 22.202 -3.863 1.00 36.48 N ATOM 1245 CA ASP B 126 17.712 22.812 -2.688 1.00 36.80 C ATOM 1246 C ASP B 126 19.150 22.337 -2.414 1.00 37.66 C ATOM 1247 O ASP B 126 19.785 22.816 -1.475 1.00 39.62 O ATOM 1248 CB ASP B 126 16.844 22.604 -1.438 1.00 35.93 C ATOM 1249 CG ASP B 126 16.682 21.140 -1.060 1.00 35.77 C ATOM 1250 OD1 ASP B 126 17.389 20.280 -1.623 1.00 35.53 O ATOM 1251 OD2 ASP B 126 15.836 20.847 -0.192 1.00 36.14 O ATOM 1252 H ASP B 126 16.360 21.461 -3.725 1.00 0.00 H ATOM 1253 N GLY B 127 19.652 21.391 -3.208 1.00 37.84 N ATOM 1254 CA GLY B 127 21.015 20.880 -3.048 1.00 38.56 C ATOM 1255 C GLY B 127 21.131 19.597 -2.233 1.00 39.14 C ATOM 1256 O GLY B 127 22.188 18.959 -2.227 1.00 38.15 O ATOM 1257 H GLY B 127 19.056 21.003 -3.966 1.00 0.00 H ATOM 1258 N THR B 128 20.058 19.218 -1.536 1.00 39.48 N ATOM 1259 CA THR B 128 20.010 17.930 -0.844 1.00 39.39 C ATOM 1260 C THR B 128 19.925 16.817 -1.883 1.00 39.59 C ATOM 1261 O THR B 128 19.663 17.079 -3.061 1.00 38.89 O ATOM 1262 CB THR B 128 18.802 17.818 0.104 1.00 39.30 C ATOM 1263 OG1 THR B 128 17.587 17.899 -0.647 1.00 40.32 O ATOM 1264 CG2 THR B 128 18.823 18.924 1.150 1.00 39.83 C ATOM 1265 HG1 THR B 128 17.551 18.767 -1.122 1.00 0.00 H ATOM 1266 H THR B 128 19.236 19.853 -1.483 1.00 0.00 H ATOM 1267 N CYS B 129 20.157 15.580 -1.454 1.00 39.28 N ATOM 1268 CA CYS B 129 20.145 14.453 -2.380 1.00 39.43 C ATOM 1269 C CYS B 129 18.733 13.888 -2.520 1.00 37.82 C ATOM 1270 O CYS B 129 18.016 13.734 -1.531 1.00 37.14 O ATOM 1271 CB CYS B 129 21.118 13.364 -1.935 1.00 40.02 C ATOM 1272 SG CYS B 129 21.511 12.183 -3.248 1.00 41.67 S ATOM 1273 H CYS B 129 20.349 15.414 -0.446 1.00 0.00 H ATOM 1274 N ALA B 130 18.341 13.610 -3.761 1.00 36.22 N ATOM 1275 CA ALA B 130 17.034 13.026 -4.066 1.00 35.34 C ATOM 1276 C ALA B 130 17.123 11.511 -4.229 1.00 33.70 C ATOM 1277 O ALA B 130 16.129 10.810 -4.058 1.00 33.97 O ATOM 1278 CB ALA B 130 16.459 13.654 -5.327 1.00 35.46 C ATOM 1279 H ALA B 130 18.990 13.816 -4.547 1.00 0.00 H ATOM 1280 N ASP B 131 18.308 11.015 -4.574 1.00 32.21 N ATOM 1281 CA ASP B 131 18.524 9.587 -4.758 1.00 30.91 C ATOM 1282 C ASP B 131 19.952 9.219 -4.362 1.00 30.19 C ATOM 1283 O ASP B 131 20.902 9.507 -5.093 1.00 32.32 O ATOM 1284 CB ASP B 131 18.254 9.200 -6.214 1.00 30.36 C ATOM 1285 CG ASP B 131 18.277 7.704 -6.434 1.00 30.00 C ATOM 1286 OD1 ASP B 131 17.928 6.958 -5.495 1.00 29.71 O ATOM 1287 OD2 ASP B 131 18.632 7.275 -7.551 1.00 29.98 O ATOM 1288 H ASP B 131 19.105 11.668 -4.717 1.00 0.00 H ATOM 1289 N SER B 132 20.092 8.577 -3.206 1.00 28.65 N ATOM 1290 CA SER B 132 21.400 8.272 -2.635 1.00 27.58 C ATOM 1291 C SER B 132 21.528 6.812 -2.250 1.00 27.26 C ATOM 1292 O SER B 132 20.533 6.141 -1.978 1.00 27.12 O ATOM 1293 CB SER B 132 21.629 9.111 -1.379 1.00 27.15 C ATOM 1294 OG SER B 132 20.674 8.803 -0.376 1.00 26.06 O ATOM 1295 HG SER B 132 20.846 9.360 0.424 1.00 0.00 H ATOM 1296 H SER B 132 19.239 8.282 -2.690 1.00 0.00 H ATOM 1297 N TYR B 133 22.765 6.328 -2.223 1.00 27.19 N ATOM 1298 CA TYR B 133 23.068 5.080 -1.537 1.00 27.28 C ATOM 1299 C TYR B 133 24.365 5.185 -0.737 1.00 27.65 C ATOM 1300 O TYR B 133 25.217 6.035 -1.017 1.00 27.27 O ATOM 1301 CB TYR B 133 23.070 3.888 -2.501 1.00 26.90 C ATOM 1302 CG TYR B 133 24.201 3.813 -3.505 1.00 27.28 C ATOM 1303 CD1 TYR B 133 25.384 3.149 -3.203 1.00 27.12 C ATOM 1304 CD2 TYR B 133 24.063 4.357 -4.780 1.00 27.30 C ATOM 1305 CE1 TYR B 133 26.408 3.055 -4.127 1.00 27.04 C ATOM 1306 CE2 TYR B 133 25.081 4.268 -5.711 1.00 27.08 C ATOM 1307 CZ TYR B 133 26.253 3.616 -5.381 1.00 27.25 C ATOM 1308 OH TYR B 133 27.267 3.516 -6.310 1.00 26.65 O ATOM 1309 HH TYR B 133 28.029 3.023 -5.914 1.00 0.00 H ATOM 1310 H TYR B 133 23.529 6.849 -2.699 1.00 0.00 H ATOM 1311 N SER B 134 24.483 4.330 0.276 1.00 27.36 N ATOM 1312 CA SER B 134 25.613 4.368 1.200 1.00 27.37 C ATOM 1313 C SER B 134 25.896 2.988 1.779 1.00 27.28 C ATOM 1314 O SER B 134 24.983 2.307 2.233 1.00 26.97 O ATOM 1315 CB SER B 134 25.316 5.341 2.340 1.00 27.01 C ATOM 1316 OG SER B 134 26.345 5.313 3.309 1.00 26.50 O ATOM 1317 HG SER B 134 26.130 5.950 4.035 1.00 0.00 H ATOM 1318 H SER B 134 23.745 3.610 0.414 1.00 0.00 H ATOM 1319 N PHE B 135 27.162 2.585 1.757 1.00 27.84 N ATOM 1320 CA PHE B 135 27.589 1.336 2.387 1.00 28.45 C ATOM 1321 C PHE B 135 28.337 1.605 3.689 1.00 28.77 C ATOM 1322 O PHE B 135 29.081 2.581 3.799 1.00 29.21 O ATOM 1323 CB PHE B 135 28.502 0.546 1.452 1.00 28.51 C ATOM 1324 CG PHE B 135 27.783 -0.125 0.318 1.00 28.80 C ATOM 1325 CD1 PHE B 135 26.861 -1.132 0.564 1.00 28.28 C ATOM 1326 CD2 PHE B 135 28.047 0.231 -1.002 1.00 29.04 C ATOM 1327 CE1 PHE B 135 26.205 -1.761 -0.480 1.00 28.37 C ATOM 1328 CE2 PHE B 135 27.394 -0.398 -2.051 1.00 28.62 C ATOM 1329 CZ PHE B 135 26.472 -1.395 -1.790 1.00 28.34 C ATOM 1330 H PHE B 135 27.871 3.176 1.277 1.00 0.00 H ATOM 1331 N VAL B 136 28.122 0.736 4.674 1.00 29.07 N ATOM 1332 CA VAL B 136 28.968 0.674 5.859 1.00 28.75 C ATOM 1333 C VAL B 136 29.818 -0.581 5.720 1.00 29.42 C ATOM 1334 O VAL B 136 29.304 -1.699 5.814 1.00 29.86 O ATOM 1335 CB VAL B 136 28.141 0.593 7.150 1.00 28.75 C ATOM 1336 CG1 VAL B 136 29.046 0.347 8.352 1.00 29.30 C ATOM 1337 CG2 VAL B 136 27.323 1.862 7.338 1.00 28.38 C ATOM 1338 H VAL B 136 27.321 0.077 4.595 1.00 0.00 H ATOM 1339 N PHE B 137 31.112 -0.396 5.478 1.00 29.85 N ATOM 1340 CA PHE B 137 32.022 -1.518 5.283 1.00 30.86 C ATOM 1341 C PHE B 137 32.757 -1.881 6.572 1.00 32.24 C ATOM 1342 O PHE B 137 32.901 -1.064 7.477 1.00 31.63 O ATOM 1343 CB PHE B 137 33.043 -1.205 4.190 1.00 30.36 C ATOM 1344 CG PHE B 137 32.458 -1.113 2.808 1.00 30.06 C ATOM 1345 CD1 PHE B 137 31.988 -2.247 2.164 1.00 30.45 C ATOM 1346 CD2 PHE B 137 32.411 0.100 2.138 1.00 30.05 C ATOM 1347 CE1 PHE B 137 31.465 -2.170 0.884 1.00 30.71 C ATOM 1348 CE2 PHE B 137 31.891 0.184 0.856 1.00 30.20 C ATOM 1349 CZ PHE B 137 31.417 -0.952 0.228 1.00 30.28 C ATOM 1350 H PHE B 137 31.484 0.574 5.426 1.00 0.00 H ATOM 1351 N SER B 138 33.227 -3.120 6.629 1.00 34.80 N ATOM 1352 CA SER B 138 33.987 -3.618 7.767 1.00 36.69 C ATOM 1353 C SER B 138 35.024 -4.612 7.282 1.00 37.45 C ATOM 1354 O SER B 138 34.742 -5.411 6.394 1.00 38.58 O ATOM 1355 CB SER B 138 33.063 -4.313 8.762 1.00 37.38 C ATOM 1356 OG SER B 138 33.806 -4.873 9.835 1.00 38.32 O ATOM 1357 HG SER B 138 34.298 -4.154 10.305 1.00 0.00 H ATOM 1358 H SER B 138 33.046 -3.761 5.830 1.00 0.00 H ATOM 1359 N ARG B 139 36.219 -4.568 7.862 1.00 38.05 N ATOM 1360 CA ARG B 139 37.248 -5.565 7.556 1.00 38.76 C ATOM 1361 C ARG B 139 36.893 -6.917 8.170 1.00 39.33 C ATOM 1362 O ARG B 139 37.295 -7.961 7.659 1.00 39.62 O ATOM 1363 CB ARG B 139 38.618 -5.112 8.068 1.00 38.48 C ATOM 1364 CG ARG B 139 39.163 -3.869 7.387 1.00 38.18 C ATOM 1365 CD ARG B 139 39.543 -4.132 5.940 1.00 38.52 C ATOM 1366 NE ARG B 139 40.345 -3.041 5.394 1.00 38.93 N ATOM 1367 CZ ARG B 139 40.875 -3.021 4.173 1.00 38.81 C ATOM 1368 NH1 ARG B 139 40.696 -4.038 3.338 1.00 38.80 N ATOM 1369 NH2 ARG B 139 41.590 -1.970 3.782 1.00 39.33 N ATOM 1370 HE ARG B 139 40.515 -2.217 6.005 1.00 0.00 H ATOM 1371 HH12 ARG B 139 41.115 -4.010 2.387 1.00 0.00 H ATOM 1372 HH11 ARG B 139 40.136 -4.863 3.635 1.00 0.00 H ATOM 1373 HH22 ARG B 139 42.006 -1.950 2.829 1.00 0.00 H ATOM 1374 HH21 ARG B 139 41.733 -1.169 4.429 1.00 0.00 H ATOM 1375 H ARG B 139 36.427 -3.812 8.545 1.00 0.00 H ATOM 1376 N ASP B 140 36.138 -6.887 9.266 1.00 40.55 N ATOM 1377 CA ASP B 140 35.741 -8.093 9.980 1.00 41.92 C ATOM 1378 C ASP B 140 34.220 -8.243 9.906 1.00 41.02 C ATOM 1379 O ASP B 140 33.493 -7.385 10.409 1.00 39.54 O ATOM 1380 CB ASP B 140 36.198 -7.996 11.442 1.00 42.95 C ATOM 1381 CG ASP B 140 36.092 -9.319 12.191 1.00 44.57 C ATOM 1382 OD1 ASP B 140 35.601 -10.319 11.622 1.00 45.11 O ATOM 1383 OD2 ASP B 140 36.507 -9.352 13.370 1.00 46.25 O ATOM 1384 H ASP B 140 35.819 -5.965 9.627 1.00 0.00 H ATOM 1385 N PRO B 141 33.733 -9.335 9.282 1.00 41.23 N ATOM 1386 CA PRO B 141 32.280 -9.541 9.176 1.00 41.32 C ATOM 1387 C PRO B 141 31.581 -9.874 10.498 1.00 41.59 C ATOM 1388 O PRO B 141 30.357 -9.950 10.530 1.00 42.46 O ATOM 1389 CB PRO B 141 32.152 -10.706 8.188 1.00 41.52 C ATOM 1390 CG PRO B 141 33.463 -11.405 8.227 1.00 41.52 C ATOM 1391 CD PRO B 141 34.494 -10.369 8.557 1.00 41.11 C ATOM 1392 N ASN B 142 32.343 -10.072 11.572 1.00 41.87 N ATOM 1393 CA ASN B 142 31.763 -10.253 12.899 1.00 42.21 C ATOM 1394 C ASN B 142 31.387 -8.936 13.581 1.00 42.08 C ATOM 1395 O ASN B 142 30.718 -8.955 14.615 1.00 42.19 O ATOM 1396 CB ASN B 142 32.712 -11.054 13.794 1.00 43.61 C ATOM 1397 CG ASN B 142 32.937 -12.472 13.288 1.00 44.83 C ATOM 1398 OD1 ASN B 142 32.010 -13.135 12.810 1.00 45.15 O ATOM 1399 ND2 ASN B 142 34.173 -12.949 13.401 1.00 45.82 N ATOM 1400 HD22 ASN B 142 34.924 -12.356 13.810 1.00 0.00 H ATOM 1401 HD21 ASN B 142 34.389 -13.915 13.081 1.00 0.00 H ATOM 1402 H ASN B 142 33.377 -10.098 11.462 1.00 0.00 H ATOM 1403 N GLY B 143 31.818 -7.804 13.018 1.00 41.25 N ATOM 1404 CA GLY B 143 31.391 -6.488 13.504 1.00 40.45 C ATOM 1405 C GLY B 143 32.480 -5.434 13.578 1.00 40.26 C ATOM 1406 O GLY B 143 33.620 -5.662 13.166 1.00 39.55 O ATOM 1407 H GLY B 143 32.474 -7.857 12.213 1.00 0.00 H ATOM 1408 N LEU B 144 32.111 -4.276 14.121 1.00 39.91 N ATOM 1409 CA LEU B 144 33.008 -3.135 14.265 1.00 41.14 C ATOM 1410 C LEU B 144 33.402 -2.939 15.733 1.00 41.70 C ATOM 1411 O LEU B 144 32.604 -3.227 16.624 1.00 41.22 O ATOM 1412 CB LEU B 144 32.319 -1.860 13.777 1.00 41.13 C ATOM 1413 CG LEU B 144 31.750 -1.835 12.359 1.00 41.48 C ATOM 1414 CD1 LEU B 144 30.944 -0.561 12.153 1.00 41.71 C ATOM 1415 CD2 LEU B 144 32.860 -1.930 11.327 1.00 41.66 C ATOM 1416 H LEU B 144 31.133 -4.180 14.460 1.00 0.00 H ATOM 1417 N PRO B 145 34.626 -2.436 15.992 1.00 41.94 N ATOM 1418 CA PRO B 145 34.993 -2.081 17.363 1.00 42.75 C ATOM 1419 C PRO B 145 34.255 -0.838 17.870 1.00 43.01 C ATOM 1420 O PRO B 145 33.690 -0.094 17.068 1.00 43.72 O ATOM 1421 CB PRO B 145 36.501 -1.802 17.273 1.00 43.57 C ATOM 1422 CG PRO B 145 36.949 -2.426 15.998 1.00 43.52 C ATOM 1423 CD PRO B 145 35.775 -2.326 15.077 1.00 42.62 C ATOM 1424 N PRO B 146 34.274 -0.604 19.196 1.00 43.36 N ATOM 1425 CA PRO B 146 33.519 0.482 19.839 1.00 43.66 C ATOM 1426 C PRO B 146 33.710 1.880 19.243 1.00 44.19 C ATOM 1427 O PRO B 146 32.746 2.646 19.162 1.00 43.43 O ATOM 1428 CB PRO B 146 34.032 0.454 21.283 1.00 43.69 C ATOM 1429 CG PRO B 146 34.428 -0.965 21.506 1.00 43.52 C ATOM 1430 CD PRO B 146 34.980 -1.438 20.191 1.00 43.48 C ATOM 1431 N GLU B 147 34.936 2.217 18.849 1.00 45.24 N ATOM 1432 CA GLU B 147 35.214 3.545 18.301 1.00 46.12 C ATOM 1433 C GLU B 147 34.654 3.678 16.885 1.00 44.03 C ATOM 1434 O GLU B 147 34.086 4.715 16.538 1.00 43.66 O ATOM 1435 CB GLU B 147 36.720 3.851 18.331 1.00 48.19 C ATOM 1436 CG GLU B 147 37.117 5.249 17.848 1.00 50.45 C ATOM 1437 CD GLU B 147 36.409 6.386 18.579 1.00 52.95 C ATOM 1438 OE1 GLU B 147 36.018 6.211 19.757 1.00 55.53 O ATOM 1439 OE2 GLU B 147 36.249 7.471 17.975 1.00 54.04 O ATOM 1440 H GLU B 147 35.708 1.526 18.932 1.00 0.00 H ATOM 1441 N ALA B 148 34.809 2.629 16.080 1.00 41.77 N ATOM 1442 CA ALA B 148 34.201 2.584 14.746 1.00 41.01 C ATOM 1443 C ALA B 148 32.677 2.741 14.816 1.00 40.40 C ATOM 1444 O ALA B 148 32.091 3.469 14.019 1.00 39.01 O ATOM 1445 CB ALA B 148 34.568 1.291 14.031 1.00 40.41 C ATOM 1446 H ALA B 148 35.376 1.820 16.406 1.00 0.00 H ATOM 1447 N GLN B 149 32.050 2.071 15.782 1.00 40.51 N ATOM 1448 CA GLN B 149 30.598 2.154 15.972 1.00 41.04 C ATOM 1449 C GLN B 149 30.151 3.596 16.193 1.00 42.09 C ATOM 1450 O GLN B 149 29.166 4.047 15.606 1.00 41.43 O ATOM 1451 CB GLN B 149 30.161 1.318 17.175 1.00 40.49 C ATOM 1452 CG GLN B 149 30.352 -0.184 17.030 1.00 40.17 C ATOM 1453 CD GLN B 149 30.357 -0.890 18.375 1.00 40.12 C ATOM 1454 OE1 GLN B 149 29.722 -0.435 19.324 1.00 40.14 O ATOM 1455 NE2 GLN B 149 31.079 -2.003 18.463 1.00 39.76 N ATOM 1456 HE22 GLN B 149 31.601 -2.351 17.633 1.00 0.00 H ATOM 1457 HE21 GLN B 149 31.122 -2.525 19.361 1.00 0.00 H ATOM 1458 H GLN B 149 32.608 1.470 16.422 1.00 0.00 H ATOM 1459 N LYS B 150 30.881 4.311 17.045 1.00 42.89 N ATOM 1460 CA LYS B 150 30.563 5.700 17.359 1.00 43.78 C ATOM 1461 C LYS B 150 30.701 6.599 16.134 1.00 42.07 C ATOM 1462 O LYS B 150 29.893 7.503 15.927 1.00 41.65 O ATOM 1463 CB LYS B 150 31.465 6.216 18.486 1.00 46.35 C ATOM 1464 CG LYS B 150 31.262 7.688 18.824 1.00 49.28 C ATOM 1465 CD LYS B 150 32.073 8.113 20.038 1.00 51.98 C ATOM 1466 CE LYS B 150 32.036 9.624 20.216 1.00 53.65 C ATOM 1467 NZ LYS B 150 32.837 10.074 21.387 1.00 54.99 N ATOM 1468 HZ1 LYS B 150 32.459 9.638 22.252 1.00 0.00 H ATOM 1469 HZ2 LYS B 150 33.829 9.788 21.258 1.00 0.00 H ATOM 1470 HZ3 LYS B 150 32.781 11.109 21.467 1.00 0.00 H ATOM 1471 H LYS B 150 31.703 3.866 17.501 1.00 0.00 H ATOM 1472 N ILE B 151 31.731 6.355 15.332 1.00 40.44 N ATOM 1473 CA ILE B 151 32.012 7.203 14.178 1.00 40.10 C ATOM 1474 C ILE B 151 31.001 6.952 13.061 1.00 38.97 C ATOM 1475 O ILE B 151 30.450 7.896 12.499 1.00 37.47 O ATOM 1476 CB ILE B 151 33.448 6.990 13.657 1.00 40.14 C ATOM 1477 CG1 ILE B 151 34.462 7.432 14.720 1.00 40.57 C ATOM 1478 CG2 ILE B 151 33.671 7.765 12.362 1.00 39.61 C ATOM 1479 CD1 ILE B 151 35.835 6.818 14.551 1.00 40.73 C ATOM 1480 H ILE B 151 32.350 5.543 15.530 1.00 0.00 H ATOM 1481 N VAL B 152 30.762 5.681 12.751 1.00 38.39 N ATOM 1482 CA VAL B 152 29.788 5.311 11.730 1.00 38.52 C ATOM 1483 C VAL B 152 28.441 5.964 12.038 1.00 39.75 C ATOM 1484 O VAL B 152 27.875 6.646 11.184 1.00 38.78 O ATOM 1485 CB VAL B 152 29.628 3.780 11.617 1.00 38.22 C ATOM 1486 CG1 VAL B 152 28.393 3.417 10.796 1.00 38.13 C ATOM 1487 CG2 VAL B 152 30.876 3.161 10.999 1.00 37.61 C ATOM 1488 H VAL B 152 31.283 4.931 13.249 1.00 0.00 H ATOM 1489 N ARG B 153 27.948 5.780 13.261 1.00 41.36 N ATOM 1490 CA ARG B 153 26.669 6.372 13.667 1.00 43.55 C ATOM 1491 C ARG B 153 26.654 7.884 13.480 1.00 43.25 C ATOM 1492 O ARG B 153 25.667 8.445 13.009 1.00 43.68 O ATOM 1493 CB ARG B 153 26.338 6.036 15.123 1.00 45.88 C ATOM 1494 CG ARG B 153 24.952 6.501 15.552 1.00 48.32 C ATOM 1495 CD ARG B 153 24.519 5.882 16.872 1.00 51.44 C ATOM 1496 NE ARG B 153 24.354 4.428 16.784 1.00 54.07 N ATOM 1497 CZ ARG B 153 23.290 3.797 16.279 1.00 55.92 C ATOM 1498 NH1 ARG B 153 23.262 2.468 16.262 1.00 55.89 N ATOM 1499 NH2 ARG B 153 22.254 4.475 15.790 1.00 57.47 N ATOM 1500 HE ARG B 153 25.131 3.838 17.145 1.00 0.00 H ATOM 1501 HH12 ARG B 153 22.437 1.970 15.870 1.00 0.00 H ATOM 1502 HH11 ARG B 153 24.065 1.926 16.640 1.00 0.00 H ATOM 1503 HH22 ARG B 153 21.435 3.965 15.401 1.00 0.00 H ATOM 1504 HH21 ARG B 153 22.263 5.515 15.797 1.00 0.00 H ATOM 1505 H ARG B 153 28.481 5.204 13.943 1.00 0.00 H ATOM 1506 N GLN B 154 27.751 8.533 13.852 1.00 43.29 N ATOM 1507 CA GLN B 154 27.871 9.981 13.724 1.00 43.90 C ATOM 1508 C GLN B 154 27.831 10.411 12.256 1.00 42.40 C ATOM 1509 O GLN B 154 27.143 11.368 11.904 1.00 41.91 O ATOM 1510 CB GLN B 154 29.169 10.452 14.381 1.00 45.83 C ATOM 1511 CG GLN B 154 29.274 11.951 14.609 1.00 47.70 C ATOM 1512 CD GLN B 154 30.518 12.327 15.400 1.00 50.10 C ATOM 1513 OE1 GLN B 154 31.026 11.535 16.204 1.00 51.63 O ATOM 1514 NE2 GLN B 154 31.017 13.540 15.178 1.00 50.76 N ATOM 1515 HE22 GLN B 154 30.558 14.174 14.493 1.00 0.00 H ATOM 1516 HE21 GLN B 154 31.866 13.855 15.689 1.00 0.00 H ATOM 1517 H GLN B 154 28.548 7.993 14.246 1.00 0.00 H ATOM 1518 N ARG B 155 28.564 9.691 11.410 1.00 41.18 N ATOM 1519 CA ARG B 155 28.626 10.002 9.982 1.00 41.17 C ATOM 1520 C ARG B 155 27.293 9.734 9.291 1.00 40.19 C ATOM 1521 O ARG B 155 26.869 10.507 8.438 1.00 40.48 O ATOM 1522 CB ARG B 155 29.735 9.198 9.297 1.00 41.83 C ATOM 1523 CG ARG B 155 31.141 9.524 9.781 1.00 43.12 C ATOM 1524 CD ARG B 155 31.611 10.885 9.295 1.00 44.86 C ATOM 1525 NE ARG B 155 32.931 11.229 9.827 1.00 46.46 N ATOM 1526 CZ ARG B 155 33.161 11.813 11.004 1.00 47.84 C ATOM 1527 NH1 ARG B 155 32.164 12.148 11.818 1.00 48.36 N ATOM 1528 NH2 ARG B 155 34.413 12.070 11.370 1.00 48.66 N ATOM 1529 HE ARG B 155 33.757 10.999 9.239 1.00 0.00 H ATOM 1530 HH12 ARG B 155 32.368 12.602 12.731 1.00 0.00 H ATOM 1531 HH11 ARG B 155 31.180 11.955 11.542 1.00 0.00 H ATOM 1532 HH22 ARG B 155 34.604 12.525 12.285 1.00 0.00 H ATOM 1533 HH21 ARG B 155 35.201 11.816 10.741 1.00 0.00 H ATOM 1534 H ARG B 155 29.109 8.884 11.775 1.00 0.00 H ATOM 1535 N GLN B 156 26.641 8.637 9.665 1.00 38.82 N ATOM 1536 CA GLN B 156 25.325 8.295 9.135 1.00 38.60 C ATOM 1537 C GLN B 156 24.330 9.426 9.369 1.00 40.88 C ATOM 1538 O GLN B 156 23.540 9.769 8.485 1.00 40.44 O ATOM 1539 CB GLN B 156 24.803 7.014 9.785 1.00 36.96 C ATOM 1540 CG GLN B 156 25.498 5.749 9.312 1.00 35.84 C ATOM 1541 CD GLN B 156 25.043 4.519 10.074 1.00 35.17 C ATOM 1542 OE1 GLN B 156 24.959 4.539 11.300 1.00 35.57 O ATOM 1543 NE2 GLN B 156 24.749 3.442 9.353 1.00 34.51 N ATOM 1544 HE22 GLN B 156 24.835 3.471 8.317 1.00 0.00 H ATOM 1545 HE21 GLN B 156 24.433 2.571 9.825 1.00 0.00 H ATOM 1546 H GLN B 156 27.084 8.001 10.359 1.00 0.00 H ATOM 1547 N GLU B 157 24.385 10.001 10.567 1.00 42.78 N ATOM 1548 CA GLU B 157 23.517 11.111 10.939 1.00 44.01 C ATOM 1549 C GLU B 157 23.878 12.396 10.200 1.00 43.50 C ATOM 1550 O GLU B 157 22.991 13.152 9.807 1.00 44.70 O ATOM 1551 CB GLU B 157 23.552 11.320 12.457 1.00 45.84 C ATOM 1552 CG GLU B 157 22.874 10.184 13.216 1.00 48.00 C ATOM 1553 CD GLU B 157 23.158 10.179 14.709 1.00 50.30 C ATOM 1554 OE1 GLU B 157 22.886 9.141 15.353 1.00 50.90 O ATOM 1555 OE2 GLU B 157 23.641 11.203 15.242 1.00 52.78 O ATOM 1556 H GLU B 157 25.072 9.646 11.263 1.00 0.00 H ATOM 1557 N GLU B 158 25.171 12.633 9.996 1.00 43.07 N ATOM 1558 CA GLU B 158 25.631 13.839 9.295 1.00 43.18 C ATOM 1559 C GLU B 158 25.346 13.802 7.787 1.00 42.34 C ATOM 1560 O GLU B 158 25.224 14.848 7.152 1.00 42.63 O ATOM 1561 CB GLU B 158 27.124 14.078 9.560 1.00 43.76 C ATOM 1562 CG GLU B 158 27.421 14.563 10.977 1.00 44.39 C ATOM 1563 CD GLU B 158 28.906 14.600 11.317 1.00 44.70 C ATOM 1564 OE1 GLU B 158 29.737 14.112 10.519 1.00 44.38 O ATOM 1565 OE2 GLU B 158 29.245 15.121 12.399 1.00 45.34 O ATOM 1566 H GLU B 158 25.873 11.948 10.341 1.00 0.00 H ATOM 1567 N LEU B 159 25.234 12.601 7.220 1.00 41.24 N ATOM 1568 CA LEU B 159 24.800 12.436 5.829 1.00 40.54 C ATOM 1569 C LEU B 159 23.281 12.568 5.669 1.00 40.77 C ATOM 1570 O LEU B 159 22.769 12.454 4.557 1.00 40.32 O ATOM 1571 CB LEU B 159 25.245 11.073 5.289 1.00 39.18 C ATOM 1572 CG LEU B 159 26.750 10.877 5.113 1.00 38.07 C ATOM 1573 CD1 LEU B 159 27.064 9.414 4.842 1.00 37.40 C ATOM 1574 CD2 LEU B 159 27.285 11.762 3.999 1.00 37.56 C ATOM 1575 H LEU B 159 25.461 11.755 7.781 1.00 0.00 H ATOM 1576 N CYS B 160 22.575 12.801 6.778 1.00 41.77 N ATOM 1577 CA CYS B 160 21.115 12.922 6.804 1.00 43.31 C ATOM 1578 C CYS B 160 20.426 11.618 6.390 1.00 42.69 C ATOM 1579 O CYS B 160 19.363 11.631 5.772 1.00 42.29 O ATOM 1580 CB CYS B 160 20.646 14.113 5.960 1.00 44.88 C ATOM 1581 SG CYS B 160 21.512 15.647 6.378 1.00 47.70 S ATOM 1582 H CYS B 160 23.091 12.902 7.675 1.00 0.00 H ATOM 1583 N LEU B 161 21.047 10.497 6.756 1.00 42.31 N ATOM 1584 CA LEU B 161 20.515 9.165 6.486 1.00 41.83 C ATOM 1585 C LEU B 161 20.308 8.393 7.786 1.00 42.58 C ATOM 1586 O LEU B 161 20.406 7.166 7.808 1.00 43.06 O ATOM 1587 CB LEU B 161 21.466 8.397 5.563 1.00 41.23 C ATOM 1588 CG LEU B 161 21.676 8.995 4.172 1.00 41.25 C ATOM 1589 CD1 LEU B 161 22.648 8.142 3.374 1.00 41.24 C ATOM 1590 CD2 LEU B 161 20.352 9.128 3.433 1.00 41.75 C ATOM 1591 H LEU B 161 21.954 10.575 7.258 1.00 0.00 H ATOM 1592 N ALA B 162 20.014 9.114 8.867 1.00 43.86 N ATOM 1593 CA ALA B 162 19.787 8.487 10.166 1.00 44.84 C ATOM 1594 C ALA B 162 18.550 7.597 10.123 1.00 45.27 C ATOM 1595 O ALA B 162 17.495 8.007 9.641 1.00 45.17 O ATOM 1596 CB ALA B 162 19.639 9.542 11.252 1.00 45.49 C ATOM 1597 H ALA B 162 19.944 10.148 8.784 1.00 0.00 H ATOM 1598 N ARG B 163 18.706 6.373 10.621 1.00 46.76 N ATOM 1599 CA ARG B 163 17.653 5.355 10.638 1.00 47.41 C ATOM 1600 C ARG B 163 17.140 4.946 9.247 1.00 45.08 C ATOM 1601 O ARG B 163 16.051 4.382 9.133 1.00 44.16 O ATOM 1602 CB ARG B 163 16.494 5.792 11.547 1.00 50.71 C ATOM 1603 CG ARG B 163 16.913 6.017 12.996 1.00 54.19 C ATOM 1604 CD ARG B 163 15.756 6.461 13.881 1.00 57.20 C ATOM 1605 NE ARG B 163 15.232 7.772 13.486 1.00 60.31 N ATOM 1606 CZ ARG B 163 14.185 7.980 12.684 1.00 63.22 C ATOM 1607 NH1 ARG B 163 13.499 6.966 12.159 1.00 64.22 N ATOM 1608 NH2 ARG B 163 13.818 9.226 12.400 1.00 65.45 N ATOM 1609 HE ARG B 163 15.717 8.611 13.863 1.00 0.00 H ATOM 1610 HH12 ARG B 163 12.687 7.154 11.537 1.00 0.00 H ATOM 1611 HH11 ARG B 163 13.775 5.986 12.371 1.00 0.00 H ATOM 1612 HH22 ARG B 163 13.004 9.399 11.776 1.00 0.00 H ATOM 1613 HH21 ARG B 163 14.345 10.028 12.801 1.00 0.00 H ATOM 1614 H ARG B 163 19.632 6.124 11.023 1.00 0.00 H ATOM 1615 N GLN B 164 17.932 5.200 8.204 1.00 42.21 N ATOM 1616 CA GLN B 164 17.589 4.763 6.848 1.00 40.48 C ATOM 1617 C GLN B 164 18.418 3.558 6.387 1.00 38.45 C ATOM 1618 O GLN B 164 18.168 3.017 5.309 1.00 38.09 O ATOM 1619 CB GLN B 164 17.745 5.916 5.852 1.00 40.41 C ATOM 1620 CG GLN B 164 16.784 7.070 6.102 1.00 41.46 C ATOM 1621 CD GLN B 164 16.687 8.036 4.930 1.00 42.44 C ATOM 1622 OE1 GLN B 164 16.603 7.626 3.768 1.00 41.88 O ATOM 1623 NE2 GLN B 164 16.683 9.330 5.233 1.00 42.97 N ATOM 1624 HE22 GLN B 164 16.756 9.632 6.226 1.00 0.00 H ATOM 1625 HE21 GLN B 164 16.607 10.041 4.478 1.00 0.00 H ATOM 1626 H GLN B 164 18.818 5.723 8.358 1.00 0.00 H ATOM 1627 N TYR B 165 19.396 3.136 7.191 1.00 36.54 N ATOM 1628 CA TYR B 165 20.238 1.993 6.830 1.00 35.71 C ATOM 1629 C TYR B 165 19.590 0.675 7.247 1.00 36.36 C ATOM 1630 O TYR B 165 18.830 0.621 8.208 1.00 34.98 O ATOM 1631 CB TYR B 165 21.623 2.093 7.472 1.00 34.07 C ATOM 1632 CG TYR B 165 22.531 3.159 6.896 1.00 32.21 C ATOM 1633 CD1 TYR B 165 22.364 4.494 7.231 1.00 31.52 C ATOM 1634 CD2 TYR B 165 23.584 2.826 6.047 1.00 31.56 C ATOM 1635 CE1 TYR B 165 23.202 5.472 6.725 1.00 30.77 C ATOM 1636 CE2 TYR B 165 24.431 3.797 5.538 1.00 30.39 C ATOM 1637 CZ TYR B 165 24.233 5.119 5.879 1.00 30.22 C ATOM 1638 OH TYR B 165 25.060 6.099 5.385 1.00 29.37 O ATOM 1639 HH TYR B 165 25.013 6.102 4.396 1.00 0.00 H ATOM 1640 H TYR B 165 19.564 3.628 8.092 1.00 0.00 H ATOM 1641 N ARG B 166 19.914 -0.384 6.514 1.00 38.92 N ATOM 1642 CA ARG B 166 19.431 -1.725 6.815 1.00 41.70 C ATOM 1643 C ARG B 166 20.606 -2.697 6.846 1.00 40.99 C ATOM 1644 O ARG B 166 21.521 -2.603 6.027 1.00 38.58 O ATOM 1645 CB ARG B 166 18.414 -2.164 5.764 1.00 45.59 C ATOM 1646 CG ARG B 166 17.757 -3.505 6.046 1.00 50.01 C ATOM 1647 CD ARG B 166 16.640 -3.778 5.050 1.00 53.88 C ATOM 1648 NE ARG B 166 16.175 -5.161 5.106 1.00 57.37 N ATOM 1649 CZ ARG B 166 15.226 -5.675 4.325 1.00 60.78 C ATOM 1650 NH1 ARG B 166 14.881 -6.952 4.459 1.00 61.13 N ATOM 1651 NH2 ARG B 166 14.617 -4.921 3.409 1.00 61.32 N ATOM 1652 HE ARG B 166 16.617 -5.790 5.806 1.00 0.00 H ATOM 1653 HH12 ARG B 166 14.141 -7.357 3.851 1.00 0.00 H ATOM 1654 HH11 ARG B 166 15.351 -7.546 5.172 1.00 0.00 H ATOM 1655 HH22 ARG B 166 13.877 -5.333 2.805 1.00 0.00 H ATOM 1656 HH21 ARG B 166 14.882 -3.921 3.299 1.00 0.00 H ATOM 1657 H ARG B 166 20.537 -0.251 5.692 1.00 0.00 H ATOM 1658 N LEU B 167 20.556 -3.642 7.781 1.00 41.14 N ATOM 1659 CA LEU B 167 21.660 -4.571 8.012 1.00 40.87 C ATOM 1660 C LEU B 167 21.686 -5.663 6.948 1.00 41.48 C ATOM 1661 O LEU B 167 20.640 -6.119 6.487 1.00 41.90 O ATOM 1662 CB LEU B 167 21.554 -5.185 9.413 1.00 40.76 C ATOM 1663 CG LEU B 167 21.492 -4.178 10.570 1.00 40.67 C ATOM 1664 CD1 LEU B 167 21.161 -4.870 11.885 1.00 40.94 C ATOM 1665 CD2 LEU B 167 22.796 -3.403 10.684 1.00 40.91 C ATOM 1666 H LEU B 167 19.701 -3.722 8.368 1.00 0.00 H ATOM 1667 N ILE B 168 22.894 -6.077 6.577 1.00 42.72 N ATOM 1668 CA ILE B 168 23.124 -7.003 5.473 1.00 44.04 C ATOM 1669 C ILE B 168 23.697 -8.316 5.996 1.00 46.33 C ATOM 1670 O ILE B 168 24.619 -8.306 6.808 1.00 47.98 O ATOM 1671 CB ILE B 168 24.157 -6.425 4.489 1.00 44.90 C ATOM 1672 CG1 ILE B 168 23.720 -5.054 3.974 1.00 44.96 C ATOM 1673 CG2 ILE B 168 24.378 -7.380 3.327 1.00 45.55 C ATOM 1674 CD1 ILE B 168 24.790 -4.354 3.163 1.00 45.09 C ATOM 1675 H ILE B 168 23.719 -5.722 7.102 1.00 0.00 H ATOM 1676 N VAL B 169 23.188 -9.442 5.503 1.00 47.94 N ATOM 1677 CA VAL B 169 23.632 -10.751 5.977 1.00 49.73 C ATOM 1678 C VAL B 169 24.796 -11.296 5.139 1.00 52.43 C ATOM 1679 O VAL B 169 24.920 -10.978 3.951 1.00 52.49 O ATOM 1680 CB VAL B 169 22.456 -11.753 6.010 1.00 50.87 C ATOM 1681 CG1 VAL B 169 22.165 -12.320 4.623 1.00 51.41 C ATOM 1682 CG2 VAL B 169 22.731 -12.867 7.009 1.00 51.59 C ATOM 1683 H VAL B 169 22.458 -9.389 4.764 1.00 0.00 H ATOM 1684 N HIS B 170 25.649 -12.101 5.776 1.00 53.79 N ATOM 1685 CA HIS B 170 26.758 -12.790 5.106 1.00 56.05 C ATOM 1686 C HIS B 170 26.707 -14.300 5.384 1.00 57.63 C ATOM 1687 O HIS B 170 26.879 -14.731 6.528 1.00 57.87 O ATOM 1688 CB HIS B 170 28.099 -12.211 5.564 1.00 55.97 C ATOM 1689 CG HIS B 170 28.460 -10.923 4.891 1.00 56.45 C ATOM 1690 ND1 HIS B 170 29.118 -10.878 3.682 1.00 55.56 N ATOM 1691 CD2 HIS B 170 28.251 -9.635 5.255 1.00 56.34 C ATOM 1692 CE1 HIS B 170 29.303 -9.618 3.331 1.00 55.94 C ATOM 1693 NE2 HIS B 170 28.786 -8.843 4.268 1.00 55.26 N ATOM 1694 H HIS B 170 25.521 -12.247 6.798 1.00 0.00 H ATOM 1695 N ASN B 171 26.481 -15.088 4.329 1.00 58.22 N ATOM 1696 CA ASN B 171 26.205 -16.528 4.443 1.00 58.87 C ATOM 1697 C ASN B 171 27.101 -17.419 3.585 1.00 59.77 C ATOM 1698 O ASN B 171 26.828 -18.611 3.457 1.00 60.33 O ATOM 1699 CB ASN B 171 24.757 -16.813 4.020 1.00 58.19 C ATOM 1700 CG ASN B 171 23.743 -16.039 4.831 1.00 58.78 C ATOM 1701 OD1 ASN B 171 23.979 -15.707 5.993 1.00 59.88 O ATOM 1702 ND2 ASN B 171 22.597 -15.755 4.225 1.00 57.98 N ATOM 1703 HD22 ASN B 171 22.440 -16.055 3.242 1.00 0.00 H ATOM 1704 HD21 ASN B 171 21.856 -15.232 4.733 1.00 0.00 H ATOM 1705 H ASN B 171 26.501 -14.662 3.380 1.00 0.00 H ATOM 1706 N GLY B 172 28.151 -16.858 2.987 1.00 61.41 N ATOM 1707 CA GLY B 172 28.927 -17.579 1.973 1.00 63.53 C ATOM 1708 C GLY B 172 28.063 -18.001 0.791 1.00 65.21 C ATOM 1709 O GLY B 172 28.307 -19.033 0.161 1.00 63.91 O ATOM 1710 H GLY B 172 28.426 -15.889 3.245 1.00 0.00 H ATOM 1711 N TYR B 173 27.058 -17.183 0.492 1.00 67.51 N ATOM 1712 CA TYR B 173 26.057 -17.481 -0.529 1.00 69.63 C ATOM 1713 C TYR B 173 26.647 -17.368 -1.936 1.00 70.31 C ATOM 1714 O TYR B 173 26.161 -18.010 -2.869 1.00 69.72 O ATOM 1715 CB TYR B 173 24.884 -16.509 -0.374 1.00 71.06 C ATOM 1716 CG TYR B 173 23.573 -16.959 -0.978 1.00 71.48 C ATOM 1717 CD1 TYR B 173 22.808 -17.950 -0.369 1.00 71.98 C ATOM 1718 CD2 TYR B 173 23.073 -16.359 -2.133 1.00 73.39 C ATOM 1719 CE1 TYR B 173 21.595 -18.351 -0.907 1.00 72.92 C ATOM 1720 CE2 TYR B 173 21.860 -16.751 -2.678 1.00 73.85 C ATOM 1721 CZ TYR B 173 21.125 -17.747 -2.062 1.00 74.17 C ATOM 1722 OH TYR B 173 19.920 -18.136 -2.599 1.00 74.16 O ATOM 1723 HH TYR B 173 19.305 -17.360 -2.623 1.00 0.00 H ATOM 1724 H TYR B 173 26.981 -16.285 1.012 1.00 0.00 H ATOM 1725 N CYS B 174 27.692 -16.551 -2.077 1.00 72.04 N ATOM 1726 CA CYS B 174 28.374 -16.354 -3.354 1.00 74.54 C ATOM 1727 C CYS B 174 29.854 -16.738 -3.260 1.00 77.80 C ATOM 1728 O CYS B 174 30.739 -15.946 -3.605 1.00 78.85 O ATOM 1729 CB CYS B 174 28.216 -14.898 -3.804 1.00 73.70 C ATOM 1730 SG CYS B 174 26.492 -14.377 -3.989 1.00 73.85 S ATOM 1731 H CYS B 174 28.036 -16.033 -1.243 1.00 0.00 H ATOM 1732 N ASP B 175 30.109 -17.961 -2.795 1.00 79.85 N ATOM 1733 CA ASP B 175 31.466 -18.501 -2.686 1.00 80.54 C ATOM 1734 C ASP B 175 31.696 -19.589 -3.730 1.00 81.15 C ATOM 1735 O ASP B 175 31.061 -20.644 -3.691 1.00 81.92 O ATOM 1736 CB ASP B 175 31.705 -19.068 -1.283 1.00 80.57 C ATOM 1737 CG ASP B 175 31.774 -17.988 -0.212 1.00 81.09 C ATOM 1738 OD1 ASP B 175 31.764 -16.784 -0.550 1.00 81.18 O ATOM 1739 OD2 ASP B 175 31.843 -18.350 0.981 1.00 81.36 O ATOM 1740 H ASP B 175 29.310 -18.557 -2.497 1.00 0.00 H TER 1741 ASP B 175 HETATM 1742 O HOH 1 19.970 1.234 -8.621 1.00 26.46 O HETATM 1743 O HOH 2 19.152 4.801 -8.545 1.00 26.78 O HETATM 1744 O HOH 3 16.464 7.393 -2.910 1.00 40.21 O HETATM 1745 O HOH 4 41.794 5.917 -9.381 1.00 40.42 O HETATM 1746 O HOH 5 34.374 -8.905 -4.723 1.00 39.34 O HETATM 1747 O HOH 6 39.998 11.532 -6.056 1.00 41.76 O HETATM 1748 O HOH 7 24.795 5.826 -14.623 1.00 34.62 O HETATM 1749 O HOH 8 27.989 12.165 -4.197 1.00 39.21 O HETATM 1750 O HOH 9 29.634 4.520 -5.475 1.00 33.83 O HETATM 1751 O HOH 10 22.274 12.461 1.661 1.00 37.11 O HETATM 1752 O HOH 11 21.065 16.098 -10.226 1.00 28.75 O HETATM 1753 O HOH 12 14.251 21.000 -3.202 1.00 38.68 O HETATM 1754 O HOH 13 35.864 -4.479 11.610 1.00 31.42 O HETATM 1755 O HOH 14 38.899 -7.704 5.352 1.00 41.04 O HETATM 1756 O HOH 15 37.444 0.984 19.451 1.00 42.58 O HETATM 1757 O HOH 16 32.718 12.698 -7.424 1.00 39.76 O HETATM 1758 O HOH 17 33.854 8.257 -14.794 1.00 50.23 O HETATM 1759 O HOH 18 38.140 3.568 14.797 1.00 44.63 O HETATM 1760 O HOH 19 39.595 14.579 0.864 1.00 51.31 O HETATM 1761 O HOH 20 25.530 -6.438 9.906 1.00 40.49 O HETATM 1762 O HOH 21 20.252 12.239 9.921 1.00 42.06 O HETATM 1763 O HOH 22 37.530 1.016 -17.307 1.00 55.13 O HETATM 1764 O HOH 23 44.773 8.709 5.019 1.00 38.48 O HETATM 1765 O HOH 24 35.180 18.461 -2.164 1.00 44.20 O HETATM 1766 O HOH 25 28.357 -10.298 8.553 1.00 40.23 O HETATM 1767 O HOH 26 41.649 16.372 1.987 1.00 37.43 O HETATM 1768 O HOH 27 24.318 4.553 -12.078 1.00 37.07 O HETATM 1769 O HOH 28 26.236 -3.807 -16.830 1.00 44.85 O HETATM 1770 O HOH 29 25.001 2.629 13.186 1.00 35.13 O HETATM 1771 O HOH 30 19.779 11.122 0.739 1.00 35.91 O HETATM 1772 O HOH 31 21.076 15.024 1.495 1.00 31.30 O HETATM 1773 O HOH 32 18.669 15.173 2.776 1.00 34.50 O HETATM 1774 O HOH 33 13.430 23.616 -3.336 1.00 41.56 O HETATM 1775 O HOH 34 13.548 19.444 -5.415 1.00 43.19 O HETATM 1776 O HOH 35 16.583 -4.074 -5.748 1.00 40.77 O HETATM 1777 O HOH 36 39.956 -5.685 -7.398 1.00 53.46 O HETATM 1778 O HOH 37 21.595 -18.292 -10.021 1.00 49.44 O HETATM 1779 O HOH 38 24.562 19.976 -3.373 1.00 39.97 O HETATM 1780 O HOH 39 18.202 8.852 -9.981 1.00 37.98 O HETATM 1781 O HOH 40 24.543 23.104 -2.658 1.00 39.23 O HETATM 1782 O HOH 41 13.966 10.078 -8.234 1.00 44.81 O HETATM 1783 O HOH 42 26.580 9.618 -8.619 1.00 44.86 O HETATM 1784 O HOH 43 27.603 2.091 14.180 1.00 42.26 O HETATM 1785 O HOH 44 30.853 17.716 -0.708 1.00 37.84 O HETATM 1786 O HOH 45 16.772 10.628 8.069 1.00 44.50 O HETATM 1787 O HOH 46 39.291 10.748 9.046 1.00 44.74 O HETATM 1788 O HOH 47 26.651 -8.293 8.437 1.00 34.82 O HETATM 1789 O HOH 48 23.681 1.118 10.487 1.00 33.91 O HETATM 1790 O HOH 49 26.306 18.584 -5.295 1.00 44.31 O HETATM 1791 O HOH 50 20.150 21.193 3.452 1.00 43.35 O HETATM 1792 O HOH 51 27.014 11.445 -10.748 1.00 46.50 O HETATM 1793 O HOH 52 39.125 13.002 7.389 1.00 34.66 O HETATM 1794 O HOH 53 41.620 7.474 10.803 1.00 45.34 O HETATM 1795 O HOH 54 16.918 -2.567 -3.176 1.00 49.81 O HETATM 1796 O HOH 55 14.182 -3.151 -6.665 1.00 46.56 O HETATM 1797 O HOH 56 39.650 -4.021 -9.536 1.00 47.50 O HETATM 1798 O HOH 57 35.930 16.324 -6.545 1.00 46.35 O HETATM 1799 O HOH 58 42.869 10.093 -4.013 1.00 46.52 O HETATM 1800 O HOH 59 28.187 -7.031 -22.481 1.00 51.64 O HETATM 1801 O HOH 60 39.292 6.061 14.328 1.00 48.70 O HETATM 1802 O HOH 61 17.277 10.515 2.067 1.00 49.63 O HETATM 1803 O HOH 62 36.077 -11.618 14.868 1.00 45.34 O HETATM 1804 O HOH 63 28.075 8.467 17.722 1.00 47.74 O HETATM 1805 O HOH 64 20.667 -15.699 2.721 1.00 54.19 O HETATM 1806 O HOH 65 20.934 0.020 10.685 1.00 38.81 O HETATM 1807 O HOH 66 16.601 14.701 0.880 1.00 36.99 O HETATM 1808 O HOH 67 39.487 11.543 11.680 1.00 42.36 O HETATM 1809 O HOH 68 18.010 -7.501 6.700 1.00 51.48 O HETATM 1810 O HOH 69 14.982 -13.945 -2.918 1.00 60.26 O HETATM 1811 O HOH 70 41.965 1.807 13.545 1.00 41.51 O HETATM 1812 O HOH 71 17.369 -4.187 0.432 1.00 56.07 O HETATM 1813 O HOH 72 8.860 -12.602 -7.506 1.00 45.62 O HETATM 1814 O HOH 73 46.773 1.330 7.002 1.00 52.69 O HETATM 1815 CL1 UNN A 74 30.170 0.116 -4.526 1.00 -0.08 CL HETATM 1816 C2 UNN A 74 30.671 -0.772 -6.008 1.00 0.06 C HETATM 1817 C3 UNN A 74 31.998 -1.165 -6.151 1.00 -0.06 C HETATM 1818 C4 UNN A 74 32.408 -1.850 -7.289 1.00 -0.07 C HETATM 1819 C5 UNN A 74 31.483 -2.143 -8.286 1.00 -0.07 C HETATM 1820 C6 UNN A 74 30.154 -1.753 -8.141 1.00 -0.04 C HETATM 1821 C1 UNN A 74 29.736 -1.055 -7.000 1.00 0.05 C HETATM 1822 N1 UNN A 74 28.392 -0.640 -6.792 1.00 -0.30 N HETATM 1823 C10 UNN A 74 27.700 -1.669 -5.994 1.00 0.05 C HETATM 1824 C9 UNN A 74 26.257 -1.274 -5.700 1.00 0.05 C HETATM 1825 N4 UNN A 74 25.590 -0.898 -6.949 1.00 -0.27 N HETATM 1826 C8 UNN A 74 26.264 0.182 -7.669 1.00 0.05 C HETATM 1827 C7 UNN A 74 27.627 -0.393 -8.033 1.00 0.05 C HETATM 1828 H UNN A 74 27.494 -1.339 -8.579 1.00 0.05 H HETATM 1829 H UNN A 74 28.172 0.323 -8.666 1.00 0.05 H HETATM 1830 H UNN A 74 25.703 0.455 -8.575 1.00 0.05 H HETATM 1831 H UNN A 74 26.375 1.068 -7.026 1.00 0.05 H HETATM 1832 C21 UNN A 74 24.465 -1.509 -7.357 1.00 0.19 C HETATM 1833 O1 UNN A 74 23.962 -2.397 -6.690 1.00 -0.40 O HETATM 1834 C11 UNN A 74 23.749 -1.109 -8.609 1.00 0.09 C HETATM 1835 C20 UNN A 74 23.394 -1.890 -9.701 1.00 0.07 C HETATM 1836 N3 UNN A 74 22.747 -1.096 -10.571 1.00 -0.23 N HETATM 1837 C12 UNN A 74 22.673 0.133 -10.055 1.00 0.11 C HETATM 1838 N2 UNN A 74 23.277 0.132 -8.849 1.00 -0.31 N HETATM 1839 H UNN A 74 22.203 0.993 -10.529 1.00 0.12 H HETATM 1840 C13 UNN A 74 22.195 -1.471 -11.871 1.00 0.09 C HETATM 1841 C14 UNN A 74 23.173 -1.189 -12.992 1.00 -0.01 C HETATM 1842 C15 UNN A 74 23.100 0.004 -13.710 1.00 -0.06 C HETATM 1843 C16 UNN A 74 24.007 0.255 -14.740 1.00 -0.07 C HETATM 1844 C17 UNN A 74 24.983 -0.688 -15.061 1.00 -0.07 C HETATM 1845 C18 UNN A 74 25.052 -1.884 -14.349 1.00 -0.07 C HETATM 1846 C19 UNN A 74 24.148 -2.133 -13.317 1.00 -0.06 C HETATM 1847 H UNN A 74 24.203 -3.064 -12.765 1.00 0.06 H HETATM 1848 H UNN A 74 25.808 -2.620 -14.597 1.00 0.06 H HETATM 1849 H UNN A 74 25.686 -0.491 -15.862 1.00 0.06 H HETATM 1850 H UNN A 74 23.953 1.186 -15.293 1.00 0.06 H HETATM 1851 H UNN A 74 22.338 0.737 -13.468 1.00 0.06 H HETATM 1852 H UNN A 74 21.274 -0.896 -12.047 1.00 0.08 H HETATM 1853 H UNN A 74 21.961 -2.546 -11.863 1.00 0.08 H HETATM 1854 H UNN A 74 23.602 -2.951 -9.829 1.00 0.10 H HETATM 1855 H UNN A 74 26.244 -0.420 -5.006 1.00 0.05 H HETATM 1856 H UNN A 74 25.729 -2.125 -5.244 1.00 0.05 H HETATM 1857 H UNN A 74 28.235 -1.802 -5.042 1.00 0.05 H HETATM 1858 H UNN A 74 27.704 -2.617 -6.553 1.00 0.05 H HETATM 1859 H UNN A 74 29.436 -1.992 -8.918 1.00 0.05 H HETATM 1860 H UNN A 74 31.797 -2.675 -9.177 1.00 0.06 H HETATM 1861 H UNN A 74 33.443 -2.154 -7.399 1.00 0.05 H HETATM 1862 H UNN A 74 32.715 -0.936 -5.371 1.00 0.06 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 44 43 1581 CONECT 701 700 1730 CONECT 1187 1186 1272 CONECT 1272 1187 1271 CONECT 1581 44 1580 CONECT 1730 701 1729 CONECT 1815 1816 CONECT 1816 1815 1817 1821 CONECT 1817 1816 1818 1862 CONECT 1818 1817 1819 1861 CONECT 1819 1818 1820 1860 CONECT 1820 1819 1821 1859 CONECT 1821 1816 1820 1822 CONECT 1822 1821 1823 1827 CONECT 1823 1822 1824 1857 1858 CONECT 1824 1823 1825 1855 1856 CONECT 1825 1824 1826 1832 CONECT 1826 1825 1827 1830 1831 CONECT 1827 1822 1826 1828 1829 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1826 CONECT 1831 1826 CONECT 1832 1825 1833 1834 CONECT 1833 1832 CONECT 1834 1832 1835 1838 CONECT 1835 1834 1836 1854 CONECT 1836 1835 1837 1840 CONECT 1837 1836 1838 1839 CONECT 1838 1834 1837 CONECT 1839 1837 CONECT 1840 1836 1841 1852 1853 CONECT 1841 1840 1842 1846 CONECT 1842 1841 1843 1851 CONECT 1843 1842 1844 1850 CONECT 1844 1843 1845 1849 CONECT 1845 1844 1846 1848 CONECT 1846 1841 1845 1847 CONECT 1847 1846 CONECT 1848 1845 CONECT 1849 1844 CONECT 1850 1843 CONECT 1851 1842 CONECT 1852 1840 CONECT 1853 1840 CONECT 1854 1835 CONECT 1855 1824 CONECT 1856 1824 CONECT 1857 1823 CONECT 1858 1823 CONECT 1859 1820 CONECT 1860 1819 CONECT 1861 1818 CONECT 1862 1817 MASTER 0 0 0 0 0 0 0 0 1861 1 58 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4psq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1erb
RCSB PDB
PDBbind
183aa, >1ERB_1|Chain... at 92%
1rbp
RCSB PDB
PDBbind
182aa, >1RBP_1|Chain... at 100%
3fmz
RCSB PDB
PDBbind
212aa, >3FMZ_1|Chains... at 100%
4o9s
RCSB PDB
PDBbind
215aa, >4O9S_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4psq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinol-binding protein 4 RBP4
Ligand Name
2WL
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
IC50=0.44uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 2885-2891
Ligand Properties
Formula
C
2
1
H
2
1
ClN
4
O
Molecular Weight
380.871
Exact Mass
380.140
No. of atoms
48
No. of bonds
51
Polar Surface Area
41.37
LOGP Value
3.62 (
Computed with XLOGP3
)
3.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
O=C(c1ncn(c1)Cc1ccccc1)N1CCN(CC1)c1ccccc1Cl
InChI String
InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
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):
P02753
Entrez Gene ID
NCBI Entrez Gene ID:
5950
ASD
Information of known allosteric effects of PDB entries
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