Browse entries in the PDBbind-CN Database
HEADER 6EW6_COMPLEX COMPND 6EW6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 A 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 A 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 A 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 A 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 A 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 A 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 A 123 LEU ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 A 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR ALA ARG SEQRES 10 A 123 LYS PHE ILE LYS ALA SER HET C A 0H 23 ATOM 1 N ASP A 6 22.183 16.655 -29.133 1.00 52.57 N ATOM 2 CA ASP A 6 23.119 16.281 -30.195 1.00 52.13 C ATOM 3 C ASP A 6 22.701 16.887 -31.555 1.00 52.47 C ATOM 4 O ASP A 6 21.684 17.581 -31.635 1.00 53.20 O ATOM 5 CB ASP A 6 23.249 14.738 -30.267 1.00 54.45 C ATOM 6 CG ASP A 6 21.968 13.986 -30.600 1.00 65.16 C ATOM 7 OD1 ASP A 6 20.876 14.592 -30.498 1.00 65.38 O ATOM 8 OD2 ASP A 6 22.056 12.784 -30.930 1.00 71.18 O ATOM 9 HN3 ASP A 6 21.233 16.307 -29.372 1.00 0.00 H ATOM 10 HN2 ASP A 6 22.161 17.691 -29.041 1.00 0.00 H ATOM 11 HN1 ASP A 6 22.493 16.232 -28.235 1.00 0.00 H ATOM 12 N SER A 7 23.463 16.598 -32.626 1.00 45.08 N ATOM 13 CA SER A 7 23.191 17.121 -33.973 1.00 42.22 C ATOM 14 C SER A 7 21.966 16.524 -34.702 1.00 37.63 C ATOM 15 O SER A 7 21.665 16.960 -35.805 1.00 36.14 O ATOM 16 CB SER A 7 24.414 16.923 -34.861 1.00 47.53 C ATOM 17 OG SER A 7 24.298 17.682 -36.054 1.00 59.65 O ATOM 18 HG SER A 7 23.492 17.393 -36.551 1.00 0.00 H ATOM 19 H SER A 7 24.285 15.974 -32.494 1.00 0.00 H ATOM 20 N GLN A 8 21.290 15.528 -34.130 1.00 28.23 N ATOM 21 CA GLN A 8 20.181 14.859 -34.808 1.00 25.00 C ATOM 22 C GLN A 8 18.908 15.700 -34.808 1.00 22.98 C ATOM 23 O GLN A 8 18.748 16.615 -34.003 1.00 21.76 O ATOM 24 CB GLN A 8 19.944 13.485 -34.166 1.00 26.07 C ATOM 25 CG GLN A 8 21.167 12.563 -34.277 1.00 24.46 C ATOM 26 CD GLN A 8 20.922 11.115 -33.861 1.00 30.10 C ATOM 27 OE1 GLN A 8 19.804 10.625 -33.826 1.00 28.41 O ATOM 28 NE2 GLN A 8 21.985 10.372 -33.611 1.00 33.20 N ATOM 29 HE22 GLN A 8 22.934 10.795 -33.642 1.00 0.00 H ATOM 30 HE21 GLN A 8 21.873 9.364 -33.383 1.00 0.00 H ATOM 31 H GLN A 8 21.559 15.218 -33.174 1.00 0.00 H ATOM 32 N ILE A 9 17.989 15.391 -35.743 1.00 17.51 N ATOM 33 CA ILE A 9 16.713 16.065 -35.822 1.00 16.53 C ATOM 34 C ILE A 9 15.805 15.463 -34.729 1.00 18.67 C ATOM 35 O ILE A 9 15.690 14.226 -34.632 1.00 18.16 O ATOM 36 CB ILE A 9 16.077 15.881 -37.234 1.00 18.61 C ATOM 37 CG1 ILE A 9 16.947 16.570 -38.295 1.00 19.13 C ATOM 38 CG2 ILE A 9 14.640 16.426 -37.293 1.00 17.81 C ATOM 39 CD1 ILE A 9 16.623 16.197 -39.716 1.00 20.31 C ATOM 40 H ILE A 9 18.205 14.642 -36.431 1.00 0.00 H ATOM 41 N GLN A 10 15.146 16.299 -33.950 1.00 16.19 N ATOM 42 CA GLN A 10 14.241 15.865 -32.881 1.00 16.90 C ATOM 43 C GLN A 10 12.801 15.905 -33.381 1.00 21.27 C ATOM 44 O GLN A 10 12.331 16.925 -33.920 1.00 21.46 O ATOM 45 CB GLN A 10 14.404 16.804 -31.669 1.00 19.78 C ATOM 46 CG GLN A 10 13.748 16.283 -30.388 1.00 47.23 C ATOM 47 CD GLN A 10 13.768 17.324 -29.293 1.00 79.61 C ATOM 48 OE1 GLN A 10 12.720 17.788 -28.825 1.00 77.31 O ATOM 49 NE2 GLN A 10 14.957 17.715 -28.850 1.00 74.49 N ATOM 50 HE22 GLN A 10 15.823 17.310 -29.259 1.00 0.00 H ATOM 51 HE21 GLN A 10 15.022 18.426 -28.094 1.00 0.00 H ATOM 52 H GLN A 10 15.275 17.320 -34.102 1.00 0.00 H ATOM 53 N PHE A 11 12.088 14.773 -33.233 1.00 15.42 N ATOM 54 CA PHE A 11 10.682 14.646 -33.573 1.00 14.19 C ATOM 55 C PHE A 11 9.981 14.746 -32.260 1.00 20.45 C ATOM 56 O PHE A 11 9.884 13.754 -31.539 1.00 18.55 O ATOM 57 CB PHE A 11 10.402 13.305 -34.252 1.00 14.79 C ATOM 58 CG PHE A 11 10.863 13.234 -35.696 1.00 15.05 C ATOM 59 CD1 PHE A 11 12.207 13.381 -36.023 1.00 16.10 C ATOM 60 CD2 PHE A 11 9.981 12.879 -36.700 1.00 16.86 C ATOM 61 CE1 PHE A 11 12.636 13.229 -37.342 1.00 18.18 C ATOM 62 CE2 PHE A 11 10.413 12.745 -38.016 1.00 17.86 C ATOM 63 CZ PHE A 11 11.735 12.900 -38.319 1.00 15.50 C ATOM 64 H PHE A 11 12.575 13.937 -32.851 1.00 0.00 H ATOM 65 N THR A 12 9.396 15.905 -32.008 1.00 20.41 N ATOM 66 CA THR A 12 8.745 16.194 -30.745 1.00 20.35 C ATOM 67 C THR A 12 7.516 15.375 -30.462 1.00 23.93 C ATOM 68 O THR A 12 7.182 15.221 -29.301 1.00 25.36 O ATOM 69 CB THR A 12 8.374 17.699 -30.671 1.00 26.48 C ATOM 70 OG1 THR A 12 7.414 18.001 -31.689 1.00 27.53 O ATOM 71 CG2 THR A 12 9.600 18.606 -30.770 1.00 29.87 C ATOM 72 HG1 THR A 12 7.802 17.798 -32.577 1.00 0.00 H ATOM 73 H THR A 12 9.403 16.639 -32.745 1.00 0.00 H ATOM 74 N ARG A 13 6.837 14.865 -31.495 1.00 18.88 N ATOM 75 CA ARG A 13 5.591 14.104 -31.341 1.00 19.09 C ATOM 76 C ARG A 13 5.812 12.584 -31.458 1.00 16.27 C ATOM 77 O ARG A 13 4.853 11.838 -31.256 1.00 16.53 O ATOM 78 CB ARG A 13 4.625 14.538 -32.464 1.00 24.45 C ATOM 79 CG ARG A 13 3.139 14.392 -32.145 1.00 43.94 C ATOM 80 CD ARG A 13 2.312 15.415 -32.926 1.00 61.21 C ATOM 81 NE ARG A 13 2.505 15.297 -34.377 1.00 75.21 N ATOM 82 CZ ARG A 13 2.074 16.170 -35.287 1.00 90.91 C ATOM 83 NH1 ARG A 13 1.409 17.262 -34.914 1.00 78.11 N ATOM 84 NH2 ARG A 13 2.306 15.961 -36.578 1.00 78.77 N ATOM 85 HE ARG A 13 3.021 14.463 -34.723 1.00 0.00 H ATOM 86 HH12 ARG A 13 1.076 17.938 -35.631 1.00 0.00 H ATOM 87 HH11 ARG A 13 1.223 17.438 -33.906 1.00 0.00 H ATOM 88 HH22 ARG A 13 1.968 16.645 -37.285 1.00 0.00 H ATOM 89 HH21 ARG A 13 2.826 15.113 -36.882 1.00 0.00 H ATOM 90 H ARG A 13 7.210 15.015 -32.454 1.00 0.00 H ATOM 91 N HIS A 14 7.027 12.121 -31.809 1.00 13.33 N ATOM 92 CA HIS A 14 7.251 10.688 -32.039 1.00 12.45 C ATOM 93 C HIS A 14 6.971 9.832 -30.821 1.00 13.62 C ATOM 94 O HIS A 14 6.270 8.836 -30.933 1.00 13.77 O ATOM 95 CB HIS A 14 8.675 10.444 -32.515 1.00 12.17 C ATOM 96 CG HIS A 14 8.976 8.998 -32.684 1.00 12.90 C ATOM 97 ND1 HIS A 14 8.449 8.255 -33.735 1.00 12.52 N ATOM 98 CD2 HIS A 14 9.768 8.203 -31.945 1.00 11.43 C ATOM 99 CE1 HIS A 14 8.916 7.036 -33.567 1.00 11.38 C ATOM 100 NE2 HIS A 14 9.693 6.949 -32.489 1.00 11.71 N ATOM 101 H HIS A 14 7.818 12.788 -31.919 1.00 0.00 H ATOM 102 N ALA A 15 7.449 10.204 -29.645 1.00 12.63 N ATOM 103 CA ALA A 15 7.200 9.330 -28.482 1.00 12.18 C ATOM 104 C ALA A 15 5.738 9.225 -28.175 1.00 13.60 C ATOM 105 O ALA A 15 5.274 8.134 -27.844 1.00 12.95 O ATOM 106 CB ALA A 15 7.951 9.853 -27.267 1.00 12.66 C ATOM 107 H ALA A 15 7.986 11.089 -29.543 1.00 0.00 H ATOM 108 N SER A 16 4.982 10.336 -28.285 1.00 12.86 N ATOM 109 CA SER A 16 3.545 10.291 -28.029 1.00 13.37 C ATOM 110 C SER A 16 2.840 9.441 -29.095 1.00 15.20 C ATOM 111 O SER A 16 1.882 8.724 -28.793 1.00 14.34 O ATOM 112 CB SER A 16 2.946 11.696 -27.969 1.00 16.73 C ATOM 113 OG SER A 16 2.922 12.346 -29.227 1.00 23.42 O ATOM 114 HG SER A 16 3.846 12.429 -29.572 1.00 0.00 H ATOM 115 H SER A 16 5.428 11.236 -28.555 1.00 0.00 H ATOM 116 N ASP A 17 3.306 9.498 -30.333 1.00 13.86 N ATOM 117 CA ASP A 17 2.730 8.657 -31.384 1.00 13.37 C ATOM 118 C ASP A 17 2.991 7.173 -31.113 1.00 12.59 C ATOM 119 O ASP A 17 2.083 6.343 -31.292 1.00 13.25 O ATOM 120 CB ASP A 17 3.291 9.044 -32.756 1.00 15.95 C ATOM 121 CG ASP A 17 2.818 10.369 -33.308 1.00 25.24 C ATOM 122 OD1 ASP A 17 1.800 10.902 -32.796 1.00 24.42 O ATOM 123 OD2 ASP A 17 3.390 10.816 -34.323 1.00 33.60 O ATOM 124 H ASP A 17 4.087 10.145 -30.561 1.00 0.00 H ATOM 125 N VAL A 18 4.210 6.831 -30.671 1.00 12.36 N ATOM 126 CA VAL A 18 4.506 5.439 -30.321 1.00 10.70 C ATOM 127 C VAL A 18 3.566 4.963 -29.197 1.00 11.53 C ATOM 128 O VAL A 18 2.971 3.887 -29.254 1.00 11.17 O ATOM 129 CB VAL A 18 6.007 5.254 -29.924 1.00 12.90 C ATOM 130 CG1 VAL A 18 6.280 3.895 -29.288 1.00 12.65 C ATOM 131 CG2 VAL A 18 6.919 5.483 -31.122 1.00 13.36 C ATOM 132 H VAL A 18 4.949 7.557 -30.576 1.00 0.00 H ATOM 133 N LEU A 19 3.438 5.787 -28.142 1.00 10.58 N ATOM 134 CA LEU A 19 2.622 5.367 -26.998 1.00 10.97 C ATOM 135 C LEU A 19 1.169 5.188 -27.395 1.00 11.58 C ATOM 136 O LEU A 19 0.527 4.248 -26.945 1.00 11.31 O ATOM 137 CB LEU A 19 2.773 6.394 -25.862 1.00 12.32 C ATOM 138 CG LEU A 19 2.327 5.920 -24.485 1.00 13.98 C ATOM 139 CD1 LEU A 19 3.221 4.836 -23.920 1.00 14.73 C ATOM 140 CD2 LEU A 19 2.317 7.060 -23.499 1.00 15.50 C ATOM 141 H LEU A 19 3.913 6.712 -28.137 1.00 0.00 H ATOM 142 N LEU A 20 0.640 6.084 -28.247 1.00 12.00 N ATOM 143 CA LEU A 20 -0.735 5.950 -28.741 1.00 12.42 C ATOM 144 C LEU A 20 -0.866 4.621 -29.480 1.00 12.54 C ATOM 145 O LEU A 20 -1.836 3.883 -29.269 1.00 13.15 O ATOM 146 CB LEU A 20 -1.055 7.120 -29.697 1.00 13.41 C ATOM 147 CG LEU A 20 -2.409 7.079 -30.416 1.00 19.52 C ATOM 148 CD1 LEU A 20 -3.554 6.920 -29.461 1.00 20.85 C ATOM 149 CD2 LEU A 20 -2.600 8.338 -31.241 1.00 22.50 C ATOM 150 H LEU A 20 1.218 6.889 -28.562 1.00 0.00 H ATOM 151 N ASN A 21 0.141 4.259 -30.300 1.00 10.99 N ATOM 152 CA ASN A 21 0.040 2.987 -31.007 1.00 10.73 C ATOM 153 C ASN A 21 0.194 1.778 -30.081 1.00 12.92 C ATOM 154 O ASN A 21 -0.495 0.780 -30.243 1.00 11.47 O ATOM 155 CB ASN A 21 0.983 2.941 -32.175 1.00 12.22 C ATOM 156 CG ASN A 21 0.512 3.756 -33.352 1.00 15.00 C ATOM 157 OD1 ASN A 21 -0.688 4.060 -33.504 1.00 14.95 O ATOM 158 ND2 ASN A 21 1.430 4.123 -34.230 1.00 14.77 N ATOM 159 HD22 ASN A 21 2.425 3.858 -34.083 1.00 0.00 H ATOM 160 HD21 ASN A 21 1.157 4.676 -35.067 1.00 0.00 H ATOM 161 H ASN A 21 0.971 4.873 -30.426 1.00 0.00 H ATOM 162 N LEU A 22 0.989 1.901 -29.034 1.00 10.78 N ATOM 163 CA LEU A 22 1.060 0.819 -28.057 1.00 11.37 C ATOM 164 C LEU A 22 -0.285 0.641 -27.360 1.00 12.56 C ATOM 165 O LEU A 22 -0.678 -0.472 -27.054 1.00 11.46 O ATOM 166 CB LEU A 22 2.170 1.071 -27.031 1.00 10.48 C ATOM 167 CG LEU A 22 3.600 1.039 -27.570 1.00 10.54 C ATOM 168 CD1 LEU A 22 4.622 1.438 -26.522 1.00 11.98 C ATOM 169 CD2 LEU A 22 3.944 -0.305 -28.178 1.00 12.49 C ATOM 170 H LEU A 22 1.560 2.761 -28.907 1.00 0.00 H ATOM 171 N ASN A 23 -0.978 1.751 -27.063 1.00 10.54 N ATOM 172 CA ASN A 23 -2.299 1.662 -26.441 1.00 10.42 C ATOM 173 C ASN A 23 -3.294 1.040 -27.399 1.00 11.39 C ATOM 174 O ASN A 23 -4.110 0.246 -26.944 1.00 13.37 O ATOM 175 CB ASN A 23 -2.771 3.027 -25.941 1.00 12.47 C ATOM 176 CG ASN A 23 -3.807 2.918 -24.865 1.00 12.84 C ATOM 177 OD1 ASN A 23 -3.870 1.952 -24.134 1.00 13.53 O ATOM 178 ND2 ASN A 23 -4.635 3.934 -24.712 1.00 16.40 N ATOM 179 HD22 ASN A 23 -4.571 4.757 -25.345 1.00 0.00 H ATOM 180 HD21 ASN A 23 -5.351 3.912 -23.958 1.00 0.00 H ATOM 181 H ASN A 23 -0.572 2.684 -27.277 1.00 0.00 H ATOM 182 N ARG A 24 -3.186 1.328 -28.697 1.00 11.59 N ATOM 183 CA ARG A 24 -4.039 0.691 -29.690 1.00 12.47 C ATOM 184 C ARG A 24 -3.781 -0.805 -29.716 1.00 14.91 C ATOM 185 O ARG A 24 -4.729 -1.588 -29.807 1.00 15.18 O ATOM 186 CB ARG A 24 -3.847 1.334 -31.062 1.00 12.97 C ATOM 187 CG ARG A 24 -4.451 2.726 -31.168 1.00 16.41 C ATOM 188 CD ARG A 24 -3.946 3.425 -32.403 1.00 23.86 C ATOM 189 NE ARG A 24 -4.625 4.697 -32.638 1.00 27.14 N ATOM 190 CZ ARG A 24 -4.225 5.628 -33.506 1.00 43.03 C ATOM 191 NH1 ARG A 24 -4.930 6.746 -33.664 1.00 30.68 N ATOM 192 NH2 ARG A 24 -3.110 5.458 -34.211 1.00 31.45 N ATOM 193 HE ARG A 24 -5.485 4.892 -32.087 1.00 0.00 H ATOM 194 HH12 ARG A 24 -4.614 7.469 -34.342 1.00 0.00 H ATOM 195 HH11 ARG A 24 -5.797 6.897 -33.110 1.00 0.00 H ATOM 196 HH22 ARG A 24 -2.805 6.188 -34.886 1.00 0.00 H ATOM 197 HH21 ARG A 24 -2.543 4.595 -34.088 1.00 0.00 H ATOM 198 H ARG A 24 -2.477 2.023 -29.006 1.00 0.00 H ATOM 199 N LEU A 25 -2.507 -1.239 -29.611 1.00 13.53 N ATOM 200 CA LEU A 25 -2.220 -2.672 -29.580 1.00 13.68 C ATOM 201 C LEU A 25 -2.820 -3.309 -28.315 1.00 15.56 C ATOM 202 O LEU A 25 -3.374 -4.407 -28.372 1.00 14.90 O ATOM 203 CB LEU A 25 -0.710 -2.911 -29.575 1.00 12.92 C ATOM 204 CG LEU A 25 0.039 -2.452 -30.820 1.00 16.00 C ATOM 205 CD1 LEU A 25 1.528 -2.813 -30.716 1.00 14.89 C ATOM 206 CD2 LEU A 25 -0.558 -3.025 -32.153 1.00 16.58 C ATOM 207 H LEU A 25 -1.728 -0.552 -29.552 1.00 0.00 H ATOM 208 N ARG A 26 -2.716 -2.643 -27.155 1.00 12.53 N ATOM 209 CA ARG A 26 -3.321 -3.180 -25.937 1.00 11.88 C ATOM 210 C ARG A 26 -4.850 -3.308 -26.102 1.00 15.29 C ATOM 211 O ARG A 26 -5.426 -4.329 -25.687 1.00 15.45 O ATOM 212 CB ARG A 26 -3.019 -2.288 -24.731 1.00 13.08 C ATOM 213 CG ARG A 26 -3.627 -2.786 -23.433 1.00 16.27 C ATOM 214 CD ARG A 26 -3.206 -1.991 -22.233 1.00 16.44 C ATOM 215 NE ARG A 26 -3.634 -0.590 -22.258 1.00 17.83 N ATOM 216 CZ ARG A 26 -4.479 0.002 -21.407 1.00 17.87 C ATOM 217 NH1 ARG A 26 -5.106 -0.707 -20.471 1.00 17.62 N ATOM 218 NH2 ARG A 26 -4.736 1.297 -21.515 1.00 17.48 N ATOM 219 HE ARG A 26 -3.241 0.005 -23.015 1.00 0.00 H ATOM 220 HH12 ARG A 26 -5.761 -0.237 -19.814 1.00 0.00 H ATOM 221 HH11 ARG A 26 -4.941 -1.731 -20.397 1.00 0.00 H ATOM 222 HH22 ARG A 26 -5.394 1.754 -20.851 1.00 0.00 H ATOM 223 HH21 ARG A 26 -4.280 1.857 -22.263 1.00 0.00 H ATOM 224 H ARG A 26 -2.202 -1.739 -27.122 1.00 0.00 H ATOM 225 N SER A 27 -5.495 -2.314 -26.746 1.00 14.19 N ATOM 226 CA SER A 27 -6.954 -2.339 -26.947 1.00 14.75 C ATOM 227 C SER A 27 -7.394 -3.508 -27.801 1.00 18.20 C ATOM 228 O SER A 27 -8.554 -3.898 -27.728 1.00 18.68 O ATOM 229 CB SER A 27 -7.430 -1.045 -27.599 1.00 18.55 C ATOM 230 OG SER A 27 -7.267 0.078 -26.754 1.00 23.80 O ATOM 231 HG SER A 27 -6.309 0.184 -26.529 1.00 0.00 H ATOM 232 H SER A 27 -4.948 -1.508 -27.110 1.00 0.00 H ATOM 233 N ARG A 28 -6.496 -4.050 -28.637 1.00 14.54 N ATOM 234 CA ARG A 28 -6.773 -5.182 -29.536 1.00 15.16 C ATOM 235 C ARG A 28 -6.120 -6.464 -29.041 1.00 16.09 C ATOM 236 O ARG A 28 -6.142 -7.464 -29.767 1.00 17.26 O ATOM 237 CB ARG A 28 -6.289 -4.808 -30.943 1.00 16.37 C ATOM 238 CG ARG A 28 -7.095 -3.667 -31.558 1.00 19.32 C ATOM 239 CD ARG A 28 -6.506 -3.202 -32.856 1.00 21.09 C ATOM 240 NE ARG A 28 -6.654 -4.216 -33.906 1.00 22.49 N ATOM 241 CZ ARG A 28 -6.028 -4.193 -35.070 1.00 32.02 C ATOM 242 NH1 ARG A 28 -5.207 -3.195 -35.372 1.00 27.77 N ATOM 243 NH2 ARG A 28 -6.223 -5.163 -35.952 1.00 26.49 N ATOM 244 HE ARG A 28 -7.299 -5.011 -33.721 1.00 0.00 H ATOM 245 HH12 ARG A 28 -4.718 -3.184 -36.290 1.00 0.00 H ATOM 246 HH11 ARG A 28 -5.053 -2.424 -34.691 1.00 0.00 H ATOM 247 HH22 ARG A 28 -5.729 -5.141 -36.867 1.00 0.00 H ATOM 248 HH21 ARG A 28 -6.870 -5.946 -35.729 1.00 0.00 H ATOM 249 H ARG A 28 -5.539 -3.643 -28.651 1.00 0.00 H ATOM 250 N ASP A 29 -5.535 -6.442 -27.839 1.00 14.99 N ATOM 251 CA ASP A 29 -4.830 -7.566 -27.229 1.00 15.78 C ATOM 252 C ASP A 29 -3.708 -8.102 -28.116 1.00 19.81 C ATOM 253 O ASP A 29 -3.425 -9.313 -28.111 1.00 22.48 O ATOM 254 CB ASP A 29 -5.821 -8.679 -26.843 1.00 18.25 C ATOM 255 CG ASP A 29 -5.387 -9.485 -25.632 1.00 26.40 C ATOM 256 OD1 ASP A 29 -4.844 -8.876 -24.668 1.00 25.97 O ATOM 257 OD2 ASP A 29 -5.679 -10.712 -25.595 1.00 33.15 O ATOM 258 H ASP A 29 -5.586 -5.556 -27.297 1.00 0.00 H ATOM 259 N ILE A 30 -3.037 -7.203 -28.855 1.00 13.72 N ATOM 260 CA ILE A 30 -1.968 -7.595 -29.764 1.00 13.88 C ATOM 261 C ILE A 30 -0.638 -7.589 -29.014 1.00 17.71 C ATOM 262 O ILE A 30 -0.198 -6.533 -28.527 1.00 16.43 O ATOM 263 CB ILE A 30 -1.927 -6.699 -31.019 1.00 15.45 C ATOM 264 CG1 ILE A 30 -3.238 -6.835 -31.864 1.00 15.13 C ATOM 265 CG2 ILE A 30 -0.692 -7.056 -31.863 1.00 15.44 C ATOM 266 CD1 ILE A 30 -3.378 -5.823 -32.988 1.00 18.16 C ATOM 267 H ILE A 30 -3.288 -6.197 -28.776 1.00 0.00 H ATOM 268 N LEU A 31 -0.013 -8.783 -28.896 1.00 15.41 N ATOM 269 CA LEU A 31 1.265 -9.004 -28.255 1.00 15.83 C ATOM 270 C LEU A 31 1.287 -8.685 -26.745 1.00 16.58 C ATOM 271 O LEU A 31 2.363 -8.632 -26.151 1.00 15.38 O ATOM 272 CB LEU A 31 2.401 -8.282 -29.014 1.00 16.50 C ATOM 273 CG LEU A 31 2.658 -8.753 -30.430 1.00 20.13 C ATOM 274 CD1 LEU A 31 3.540 -7.768 -31.162 1.00 19.77 C ATOM 275 CD2 LEU A 31 3.291 -10.155 -30.434 1.00 21.37 C ATOM 276 H LEU A 31 -0.492 -9.613 -29.301 1.00 0.00 H ATOM 277 N THR A 32 0.133 -8.610 -26.067 1.00 13.13 N ATOM 278 CA THR A 32 0.116 -8.504 -24.629 1.00 13.63 C ATOM 279 C THR A 32 0.656 -9.850 -24.092 1.00 16.97 C ATOM 280 O THR A 32 0.435 -10.919 -24.730 1.00 19.15 O ATOM 281 CB THR A 32 -1.315 -8.203 -24.156 1.00 19.34 C ATOM 282 OG1 THR A 32 -2.218 -9.153 -24.748 1.00 20.50 O ATOM 283 CG2 THR A 32 -1.747 -6.782 -24.524 1.00 16.04 C ATOM 284 HG1 THR A 32 -3.141 -8.962 -24.445 1.00 0.00 H ATOM 285 H THR A 32 -0.767 -8.629 -26.588 1.00 0.00 H ATOM 286 N ASP A 33 1.341 -9.810 -22.971 1.00 15.88 N ATOM 287 CA ASP A 33 1.999 -10.999 -22.422 1.00 14.84 C ATOM 288 C ASP A 33 1.887 -11.170 -20.932 1.00 18.62 C ATOM 289 O ASP A 33 2.623 -11.981 -20.357 1.00 17.88 O ATOM 290 CB ASP A 33 3.500 -10.970 -22.867 1.00 15.56 C ATOM 291 CG ASP A 33 4.262 -9.709 -22.521 1.00 20.92 C ATOM 292 OD1 ASP A 33 3.672 -8.814 -21.846 1.00 18.17 O ATOM 293 OD2 ASP A 33 5.498 -9.669 -22.781 1.00 26.86 O ATOM 294 H ASP A 33 1.418 -8.908 -22.459 1.00 0.00 H ATOM 295 N VAL A 34 1.015 -10.415 -20.241 1.00 14.00 N ATOM 296 CA VAL A 34 0.839 -10.573 -18.836 1.00 14.30 C ATOM 297 C VAL A 34 -0.567 -10.126 -18.437 1.00 18.44 C ATOM 298 O VAL A 34 -1.148 -9.296 -19.138 1.00 17.56 O ATOM 299 CB VAL A 34 1.912 -9.776 -18.055 1.00 17.43 C ATOM 300 CG1 VAL A 34 1.651 -8.269 -18.130 1.00 16.15 C ATOM 301 CG2 VAL A 34 2.017 -10.232 -16.604 1.00 18.30 C ATOM 302 H VAL A 34 0.455 -9.698 -20.745 1.00 0.00 H ATOM 303 N VAL A 35 -1.119 -10.733 -17.383 1.00 17.17 N ATOM 304 CA VAL A 35 -2.370 -10.322 -16.762 1.00 16.71 C ATOM 305 C VAL A 35 -2.076 -9.897 -15.318 1.00 18.64 C ATOM 306 O VAL A 35 -1.372 -10.629 -14.600 1.00 16.80 O ATOM 307 CB VAL A 35 -3.481 -11.412 -16.877 1.00 22.00 C ATOM 308 CG1 VAL A 35 -3.239 -12.579 -15.956 1.00 23.01 C ATOM 309 CG2 VAL A 35 -4.848 -10.812 -16.577 1.00 21.81 C ATOM 310 H VAL A 35 -0.623 -11.553 -16.979 1.00 0.00 H ATOM 311 N ILE A 36 -2.556 -8.693 -14.870 1.00 14.74 N ATOM 312 CA ILE A 36 -2.390 -8.187 -13.521 1.00 15.52 C ATOM 313 C ILE A 36 -3.738 -8.401 -12.874 1.00 19.33 C ATOM 314 O ILE A 36 -4.750 -7.922 -13.396 1.00 17.18 O ATOM 315 CB ILE A 36 -1.963 -6.697 -13.499 1.00 16.85 C ATOM 316 CG1 ILE A 36 -0.718 -6.422 -14.403 1.00 15.50 C ATOM 317 CG2 ILE A 36 -1.764 -6.204 -12.082 1.00 18.02 C ATOM 318 CD1 ILE A 36 0.479 -7.273 -14.119 1.00 18.05 C ATOM 319 H ILE A 36 -3.077 -8.100 -15.547 1.00 0.00 H ATOM 320 N VAL A 37 -3.743 -9.098 -11.747 1.00 18.49 N ATOM 321 CA VAL A 37 -4.965 -9.407 -11.001 1.00 18.66 C ATOM 322 C VAL A 37 -4.982 -8.500 -9.796 1.00 20.05 C ATOM 323 O VAL A 37 -4.026 -8.450 -9.022 1.00 19.30 O ATOM 324 CB VAL A 37 -4.996 -10.906 -10.602 1.00 22.38 C ATOM 325 CG1 VAL A 37 -6.301 -11.262 -9.901 1.00 23.34 C ATOM 326 CG2 VAL A 37 -4.780 -11.817 -11.810 1.00 21.45 C ATOM 327 H VAL A 37 -2.835 -9.442 -11.374 1.00 0.00 H ATOM 328 N VAL A 38 -6.094 -7.759 -9.639 1.00 17.76 N ATOM 329 CA VAL A 38 -6.334 -6.826 -8.554 1.00 19.53 C ATOM 330 C VAL A 38 -7.701 -7.219 -8.047 1.00 24.93 C ATOM 331 O VAL A 38 -8.719 -6.844 -8.637 1.00 24.49 O ATOM 332 CB VAL A 38 -6.266 -5.357 -9.058 1.00 23.05 C ATOM 333 CG1 VAL A 38 -6.303 -4.378 -7.889 1.00 23.12 C ATOM 334 CG2 VAL A 38 -5.021 -5.134 -9.913 1.00 23.19 C ATOM 335 H VAL A 38 -6.842 -7.863 -10.353 1.00 0.00 H ATOM 336 N SER A 39 -7.706 -8.089 -7.036 1.00 23.43 N ATOM 337 CA SER A 39 -8.911 -8.658 -6.446 1.00 22.90 C ATOM 338 C SER A 39 -9.735 -9.395 -7.525 1.00 25.33 C ATOM 339 O SER A 39 -9.216 -10.359 -8.084 1.00 24.35 O ATOM 340 CB SER A 39 -9.672 -7.605 -5.649 1.00 28.45 C ATOM 341 OG SER A 39 -8.863 -7.213 -4.547 1.00 35.04 O ATOM 342 HG SER A 39 -8.011 -6.837 -4.882 1.00 0.00 H ATOM 343 H SER A 39 -6.789 -8.381 -6.642 1.00 0.00 H ATOM 344 N ARG A 40 -10.963 -8.956 -7.864 1.00 23.54 N ATOM 345 CA ARG A 40 -11.782 -9.684 -8.834 1.00 24.06 C ATOM 346 C ARG A 40 -11.568 -9.278 -10.288 1.00 31.27 C ATOM 347 O ARG A 40 -12.166 -9.882 -11.178 1.00 33.32 O ATOM 348 CB ARG A 40 -13.275 -9.544 -8.459 1.00 27.22 C ATOM 349 CG ARG A 40 -13.642 -10.336 -7.202 1.00 38.15 C ATOM 350 CD ARG A 40 -14.650 -9.628 -6.308 1.00 61.46 C ATOM 351 NE ARG A 40 -13.999 -8.972 -5.167 1.00 77.85 N ATOM 352 CZ ARG A 40 -13.715 -9.546 -3.996 1.00 93.53 C ATOM 353 NH1 ARG A 40 -14.024 -10.822 -3.775 1.00 78.78 N ATOM 354 NH2 ARG A 40 -13.122 -8.848 -3.033 1.00 80.78 N ATOM 355 HE ARG A 40 -13.736 -7.972 -5.281 1.00 0.00 H ATOM 356 HH12 ARG A 40 -13.799 -11.261 -2.859 1.00 0.00 H ATOM 357 HH11 ARG A 40 -14.491 -11.380 -4.518 1.00 0.00 H ATOM 358 HH22 ARG A 40 -12.903 -9.300 -2.122 1.00 0.00 H ATOM 359 HH21 ARG A 40 -12.877 -7.850 -3.190 1.00 0.00 H ATOM 360 H ARG A 40 -11.334 -8.087 -7.430 1.00 0.00 H ATOM 361 N GLU A 41 -10.718 -8.270 -10.537 1.00 26.45 N ATOM 362 CA GLU A 41 -10.492 -7.757 -11.880 1.00 26.50 C ATOM 363 C GLU A 41 -9.164 -8.195 -12.461 1.00 28.03 C ATOM 364 O GLU A 41 -8.201 -8.418 -11.720 1.00 26.01 O ATOM 365 CB GLU A 41 -10.567 -6.234 -11.862 1.00 28.10 C ATOM 366 CG GLU A 41 -11.933 -5.730 -11.432 1.00 35.40 C ATOM 367 CD GLU A 41 -12.301 -4.383 -12.006 1.00 40.06 C ATOM 368 OE1 GLU A 41 -12.287 -4.253 -13.250 1.00 33.28 O ATOM 369 OE2 GLU A 41 -12.608 -3.463 -11.217 1.00 44.04 O ATOM 370 H GLU A 41 -10.203 -7.840 -9.742 1.00 0.00 H ATOM 371 N GLN A 42 -9.134 -8.340 -13.789 1.00 22.83 N ATOM 372 CA GLN A 42 -7.934 -8.732 -14.523 1.00 22.68 C ATOM 373 C GLN A 42 -7.664 -7.669 -15.560 1.00 23.51 C ATOM 374 O GLN A 42 -8.612 -7.183 -16.176 1.00 21.76 O ATOM 375 CB GLN A 42 -8.165 -10.061 -15.245 1.00 24.52 C ATOM 376 CG GLN A 42 -8.383 -11.239 -14.309 1.00 41.06 C ATOM 377 CD GLN A 42 -8.495 -12.559 -15.032 1.00 49.21 C ATOM 378 OE1 GLN A 42 -8.034 -12.730 -16.172 1.00 37.75 O ATOM 379 NE2 GLN A 42 -9.082 -13.542 -14.366 1.00 52.31 N ATOM 380 HE22 GLN A 42 -9.460 -13.371 -13.412 1.00 0.00 H ATOM 381 HE21 GLN A 42 -9.165 -14.485 -14.797 1.00 0.00 H ATOM 382 H GLN A 42 -10.007 -8.165 -14.326 1.00 0.00 H ATOM 383 N PHE A 43 -6.393 -7.312 -15.776 1.00 19.06 N ATOM 384 CA PHE A 43 -6.006 -6.315 -16.776 1.00 17.12 C ATOM 385 C PHE A 43 -4.833 -6.859 -17.563 1.00 19.51 C ATOM 386 O PHE A 43 -3.813 -7.159 -16.946 1.00 19.22 O ATOM 387 CB PHE A 43 -5.590 -5.000 -16.107 1.00 18.17 C ATOM 388 CG PHE A 43 -6.645 -4.389 -15.225 1.00 18.48 C ATOM 389 CD1 PHE A 43 -6.720 -4.717 -13.879 1.00 22.34 C ATOM 390 CD2 PHE A 43 -7.547 -3.469 -15.730 1.00 21.58 C ATOM 391 CE1 PHE A 43 -7.675 -4.132 -13.057 1.00 21.80 C ATOM 392 CE2 PHE A 43 -8.550 -2.947 -14.922 1.00 23.87 C ATOM 393 CZ PHE A 43 -8.602 -3.270 -13.592 1.00 21.44 C ATOM 394 H PHE A 43 -5.647 -7.762 -15.209 1.00 0.00 H ATOM 395 N ARG A 44 -4.958 -6.955 -18.882 1.00 14.77 N ATOM 396 CA ARG A 44 -3.881 -7.423 -19.757 1.00 15.04 C ATOM 397 C ARG A 44 -2.979 -6.249 -20.157 1.00 18.27 C ATOM 398 O ARG A 44 -3.450 -5.116 -20.263 1.00 18.08 O ATOM 399 CB ARG A 44 -4.387 -8.142 -20.986 1.00 15.09 C ATOM 400 CG ARG A 44 -5.138 -9.426 -20.608 1.00 21.15 C ATOM 401 CD ARG A 44 -5.328 -10.357 -21.782 1.00 25.19 C ATOM 402 NE ARG A 44 -4.059 -10.641 -22.455 1.00 33.24 N ATOM 403 CZ ARG A 44 -3.110 -11.466 -22.014 1.00 43.23 C ATOM 404 NH1 ARG A 44 -3.290 -12.169 -20.897 1.00 36.72 N ATOM 405 NH2 ARG A 44 -1.979 -11.606 -22.691 1.00 27.91 N ATOM 406 HE ARG A 44 -3.883 -10.156 -23.358 1.00 0.00 H ATOM 407 HH12 ARG A 44 -2.544 -12.810 -20.560 1.00 0.00 H ATOM 408 HH11 ARG A 44 -4.177 -12.076 -20.362 1.00 0.00 H ATOM 409 HH22 ARG A 44 -1.241 -12.251 -22.343 1.00 0.00 H ATOM 410 HH21 ARG A 44 -1.830 -11.071 -23.570 1.00 0.00 H ATOM 411 H ARG A 44 -5.865 -6.685 -19.314 1.00 0.00 H ATOM 412 N ALA A 45 -1.690 -6.506 -20.366 1.00 14.16 N ATOM 413 CA ALA A 45 -0.774 -5.436 -20.721 1.00 13.67 C ATOM 414 C ALA A 45 0.481 -6.009 -21.330 1.00 15.39 C ATOM 415 O ALA A 45 0.621 -7.236 -21.486 1.00 15.80 O ATOM 416 CB ALA A 45 -0.414 -4.665 -19.476 1.00 14.19 C ATOM 417 H ALA A 45 -1.336 -7.480 -20.275 1.00 0.00 H ATOM 418 N HIS A 46 1.363 -5.111 -21.748 1.00 11.47 N ATOM 419 CA HIS A 46 2.688 -5.459 -22.288 1.00 11.29 C ATOM 420 C HIS A 46 3.690 -5.288 -21.159 1.00 13.81 C ATOM 421 O HIS A 46 3.786 -4.225 -20.560 1.00 12.89 O ATOM 422 CB HIS A 46 3.054 -4.536 -23.428 1.00 10.71 C ATOM 423 CG HIS A 46 2.074 -4.556 -24.575 1.00 12.86 C ATOM 424 ND1 HIS A 46 1.134 -3.546 -24.720 1.00 13.76 N ATOM 425 CD2 HIS A 46 1.951 -5.404 -25.622 1.00 13.69 C ATOM 426 CE1 HIS A 46 0.455 -3.831 -25.832 1.00 14.36 C ATOM 427 NE2 HIS A 46 0.917 -4.936 -26.414 1.00 13.89 N ATOM 428 H HIS A 46 1.104 -4.105 -21.691 1.00 0.00 H ATOM 429 N LYS A 47 4.417 -6.364 -20.805 1.00 12.49 N ATOM 430 CA LYS A 47 5.431 -6.274 -19.766 1.00 12.25 C ATOM 431 C LYS A 47 6.452 -5.174 -20.040 1.00 12.18 C ATOM 432 O LYS A 47 6.818 -4.498 -19.113 1.00 12.18 O ATOM 433 CB LYS A 47 6.189 -7.587 -19.630 1.00 15.66 C ATOM 434 CG LYS A 47 5.374 -8.703 -19.023 1.00 16.55 C ATOM 435 CD LYS A 47 6.223 -9.990 -18.818 1.00 21.59 C ATOM 436 CE LYS A 47 5.576 -11.192 -19.403 1.00 22.48 C ATOM 437 NZ LYS A 47 6.434 -12.389 -19.311 1.00 20.35 N ATOM 438 HZ1 LYS A 47 7.322 -12.218 -19.825 1.00 0.00 H ATOM 439 HZ2 LYS A 47 6.643 -12.588 -18.312 1.00 0.00 H ATOM 440 HZ3 LYS A 47 5.940 -13.201 -19.732 1.00 0.00 H ATOM 441 H LYS A 47 4.251 -7.273 -21.282 1.00 0.00 H ATOM 442 N THR A 48 6.840 -4.954 -21.290 1.00 11.99 N ATOM 443 CA THR A 48 7.793 -3.882 -21.575 1.00 10.28 C ATOM 444 C THR A 48 7.244 -2.523 -21.105 1.00 12.65 C ATOM 445 O THR A 48 7.995 -1.723 -20.551 1.00 12.16 O ATOM 446 CB THR A 48 8.130 -3.821 -23.040 1.00 12.92 C ATOM 447 OG1 THR A 48 6.908 -3.811 -23.792 1.00 15.84 O ATOM 448 CG2 THR A 48 9.014 -4.978 -23.483 1.00 13.57 C ATOM 449 HG1 THR A 48 6.396 -4.636 -23.598 1.00 0.00 H ATOM 450 H THR A 48 6.468 -5.541 -22.063 1.00 0.00 H ATOM 451 N VAL A 49 5.950 -2.222 -21.392 1.00 11.65 N ATOM 452 CA VAL A 49 5.384 -0.952 -20.978 1.00 10.91 C ATOM 453 C VAL A 49 5.313 -0.863 -19.473 1.00 11.44 C ATOM 454 O VAL A 49 5.687 0.148 -18.844 1.00 12.07 O ATOM 455 CB VAL A 49 4.019 -0.676 -21.657 1.00 12.88 C ATOM 456 CG1 VAL A 49 3.392 0.610 -21.131 1.00 11.99 C ATOM 457 CG2 VAL A 49 4.170 -0.609 -23.170 1.00 13.41 C ATOM 458 H VAL A 49 5.363 -2.906 -21.911 1.00 0.00 H ATOM 459 N LEU A 50 4.932 -1.968 -18.831 1.00 10.67 N ATOM 460 CA LEU A 50 4.860 -1.981 -17.389 1.00 11.50 C ATOM 461 C LEU A 50 6.221 -1.704 -16.743 1.00 12.97 C ATOM 462 O LEU A 50 6.326 -0.903 -15.824 1.00 13.46 O ATOM 463 CB LEU A 50 4.309 -3.314 -16.849 1.00 11.63 C ATOM 464 CG LEU A 50 2.893 -3.735 -17.202 1.00 12.97 C ATOM 465 CD1 LEU A 50 2.559 -5.029 -16.474 1.00 13.56 C ATOM 466 CD2 LEU A 50 1.885 -2.662 -16.903 1.00 13.27 C ATOM 467 H LEU A 50 4.686 -2.823 -19.370 1.00 0.00 H ATOM 468 N MET A 51 7.263 -2.351 -17.256 1.00 12.29 N ATOM 469 CA MET A 51 8.617 -2.138 -16.758 1.00 11.98 C ATOM 470 C MET A 51 9.108 -0.694 -16.971 1.00 13.73 C ATOM 471 O MET A 51 9.829 -0.150 -16.139 1.00 13.84 O ATOM 472 CB MET A 51 9.607 -3.032 -17.509 1.00 13.61 C ATOM 473 CG MET A 51 9.442 -4.522 -17.192 1.00 17.02 C ATOM 474 SD MET A 51 10.739 -5.521 -18.031 1.00 20.08 S ATOM 475 CE MET A 51 12.025 -5.233 -16.990 1.00 18.61 C ATOM 476 H MET A 51 7.109 -3.026 -18.032 1.00 0.00 H ATOM 477 N ALA A 52 8.738 -0.110 -18.121 1.00 12.27 N ATOM 478 CA ALA A 52 9.150 1.243 -18.478 1.00 11.94 C ATOM 479 C ALA A 52 8.433 2.314 -17.638 1.00 13.66 C ATOM 480 O ALA A 52 8.897 3.450 -17.615 1.00 14.00 O ATOM 481 CB ALA A 52 8.880 1.464 -19.937 1.00 12.55 C ATOM 482 H ALA A 52 8.136 -0.641 -18.782 1.00 0.00 H ATOM 483 N CYS A 53 7.360 1.958 -16.942 1.00 11.85 N ATOM 484 CA CYS A 53 6.557 2.911 -16.149 1.00 11.31 C ATOM 485 C CYS A 53 6.625 2.734 -14.640 1.00 13.62 C ATOM 486 O CYS A 53 6.328 3.669 -13.906 1.00 14.85 O ATOM 487 CB CYS A 53 5.110 2.794 -16.590 1.00 11.03 C ATOM 488 SG CYS A 53 4.833 3.379 -18.266 1.00 13.30 S ATOM 489 H CYS A 53 7.071 0.959 -16.956 1.00 0.00 H ATOM 490 N SER A 54 6.887 1.518 -14.167 1.00 12.43 N ATOM 491 CA SER A 54 6.735 1.177 -12.749 1.00 12.19 C ATOM 492 C SER A 54 7.945 0.507 -12.164 1.00 11.99 C ATOM 493 O SER A 54 8.375 -0.477 -12.722 1.00 11.91 O ATOM 494 CB SER A 54 5.528 0.248 -12.634 1.00 13.80 C ATOM 495 OG SER A 54 5.486 -0.584 -11.484 1.00 13.15 O ATOM 496 HG SER A 54 5.477 -0.020 -10.670 1.00 0.00 H ATOM 497 H SER A 54 7.211 0.783 -14.827 1.00 0.00 H ATOM 498 N GLY A 55 8.429 1.011 -11.041 1.00 12.29 N ATOM 499 CA GLY A 55 9.589 0.414 -10.377 1.00 12.44 C ATOM 500 C GLY A 55 9.263 -0.965 -9.854 1.00 16.60 C ATOM 501 O GLY A 55 10.134 -1.835 -9.848 1.00 15.79 O ATOM 502 H GLY A 55 7.976 1.848 -10.621 1.00 0.00 H ATOM 503 N LEU A 56 8.013 -1.217 -9.466 1.00 14.17 N ATOM 504 CA LEU A 56 7.607 -2.528 -8.971 1.00 14.23 C ATOM 505 C LEU A 56 7.659 -3.505 -10.082 1.00 15.13 C ATOM 506 O LEU A 56 8.297 -4.556 -9.949 1.00 17.52 O ATOM 507 CB LEU A 56 6.193 -2.469 -8.389 1.00 14.75 C ATOM 508 CG LEU A 56 5.666 -3.750 -7.738 1.00 19.64 C ATOM 509 CD1 LEU A 56 6.421 -4.052 -6.439 1.00 22.52 C ATOM 510 CD2 LEU A 56 4.182 -3.662 -7.465 1.00 19.95 C ATOM 511 H LEU A 56 7.306 -0.456 -9.518 1.00 0.00 H ATOM 512 N PHE A 57 7.044 -3.187 -11.227 1.00 12.73 N ATOM 513 CA PHE A 57 7.074 -4.096 -12.327 1.00 11.15 C ATOM 514 C PHE A 57 8.449 -4.267 -12.915 1.00 14.92 C ATOM 515 O PHE A 57 8.796 -5.367 -13.389 1.00 14.91 O ATOM 516 CB PHE A 57 6.042 -3.726 -13.411 1.00 13.22 C ATOM 517 CG PHE A 57 4.617 -3.921 -12.964 1.00 14.44 C ATOM 518 CD1 PHE A 57 4.170 -5.162 -12.514 1.00 17.30 C ATOM 519 CD2 PHE A 57 3.705 -2.883 -13.036 1.00 14.36 C ATOM 520 CE1 PHE A 57 2.854 -5.335 -12.085 1.00 18.49 C ATOM 521 CE2 PHE A 57 2.364 -3.085 -12.679 1.00 17.38 C ATOM 522 CZ PHE A 57 1.955 -4.304 -12.195 1.00 17.74 C ATOM 523 H PHE A 57 6.545 -2.279 -11.315 1.00 0.00 H ATOM 524 N TYR A 58 9.228 -3.191 -12.936 1.00 13.85 N ATOM 525 CA TYR A 58 10.595 -3.306 -13.433 1.00 13.93 C ATOM 526 C TYR A 58 11.367 -4.317 -12.580 1.00 15.57 C ATOM 527 O TYR A 58 12.009 -5.210 -13.150 1.00 15.35 O ATOM 528 CB TYR A 58 11.290 -1.943 -13.389 1.00 15.02 C ATOM 529 CG TYR A 58 12.760 -2.029 -13.707 1.00 17.15 C ATOM 530 CD1 TYR A 58 13.208 -2.024 -15.020 1.00 18.57 C ATOM 531 CD2 TYR A 58 13.703 -2.184 -12.692 1.00 18.22 C ATOM 532 CE1 TYR A 58 14.571 -2.139 -15.316 1.00 20.01 C ATOM 533 CE2 TYR A 58 15.058 -2.315 -12.976 1.00 20.52 C ATOM 534 CZ TYR A 58 15.492 -2.257 -14.283 1.00 25.97 C ATOM 535 OH TYR A 58 16.851 -2.343 -14.520 1.00 29.43 O ATOM 536 HH TYR A 58 17.019 -2.288 -15.494 1.00 0.00 H ATOM 537 H TYR A 58 8.867 -2.275 -12.601 1.00 0.00 H ATOM 538 N SER A 59 11.305 -4.168 -11.257 1.00 14.89 N ATOM 539 CA SER A 59 12.019 -5.073 -10.343 1.00 15.43 C ATOM 540 C SER A 59 11.569 -6.529 -10.465 1.00 20.01 C ATOM 541 O SER A 59 12.384 -7.430 -10.226 1.00 20.52 O ATOM 542 CB SER A 59 11.900 -4.589 -8.908 1.00 17.92 C ATOM 543 OG SER A 59 12.725 -3.449 -8.734 1.00 17.31 O ATOM 544 HG SER A 59 12.433 -2.734 -9.353 1.00 0.00 H ATOM 545 H SER A 59 10.737 -3.392 -10.861 1.00 0.00 H ATOM 546 N ILE A 60 10.310 -6.788 -10.828 1.00 17.86 N ATOM 547 CA ILE A 60 9.828 -8.153 -11.029 1.00 17.48 C ATOM 548 C ILE A 60 10.445 -8.735 -12.288 1.00 20.15 C ATOM 549 O ILE A 60 11.207 -9.708 -12.229 1.00 20.26 O ATOM 550 CB ILE A 60 8.264 -8.241 -11.092 1.00 20.02 C ATOM 551 CG1 ILE A 60 7.663 -7.939 -9.701 1.00 19.87 C ATOM 552 CG2 ILE A 60 7.748 -9.615 -11.632 1.00 19.50 C ATOM 553 CD1 ILE A 60 6.181 -7.614 -9.697 1.00 20.45 C ATOM 554 H ILE A 60 9.653 -5.995 -10.972 1.00 0.00 H ATOM 555 N PHE A 61 10.109 -8.169 -13.447 1.00 17.20 N ATOM 556 CA PHE A 61 10.437 -8.718 -14.746 1.00 17.07 C ATOM 557 C PHE A 61 11.903 -8.622 -15.145 1.00 18.19 C ATOM 558 O PHE A 61 12.323 -9.403 -16.019 1.00 17.75 O ATOM 559 CB PHE A 61 9.544 -8.117 -15.832 1.00 19.61 C ATOM 560 CG PHE A 61 8.079 -8.328 -15.540 1.00 20.63 C ATOM 561 CD1 PHE A 61 7.569 -9.607 -15.337 1.00 24.49 C ATOM 562 CD2 PHE A 61 7.214 -7.249 -15.425 1.00 20.94 C ATOM 563 CE1 PHE A 61 6.217 -9.798 -15.043 1.00 24.79 C ATOM 564 CE2 PHE A 61 5.848 -7.449 -15.165 1.00 23.08 C ATOM 565 CZ PHE A 61 5.367 -8.721 -14.972 1.00 22.84 C ATOM 566 H PHE A 61 9.577 -7.276 -13.416 1.00 0.00 H ATOM 567 N THR A 62 12.680 -7.717 -14.514 1.00 16.19 N ATOM 568 CA THR A 62 14.119 -7.684 -14.831 1.00 16.42 C ATOM 569 C THR A 62 14.811 -8.928 -14.300 1.00 22.87 C ATOM 570 O THR A 62 15.815 -9.341 -14.871 1.00 21.29 O ATOM 571 CB THR A 62 14.766 -6.402 -14.319 1.00 25.19 C ATOM 572 OG1 THR A 62 16.007 -6.233 -14.975 1.00 30.07 O ATOM 573 CG2 THR A 62 14.936 -6.365 -12.826 1.00 22.48 C ATOM 574 HG1 THR A 62 16.591 -7.008 -14.779 1.00 0.00 H ATOM 575 H THR A 62 12.273 -7.058 -13.820 1.00 0.00 H ATOM 576 N ASP A 63 14.263 -9.555 -13.258 1.00 20.44 N ATOM 577 CA ASP A 63 14.844 -10.785 -12.704 1.00 18.99 C ATOM 578 C ASP A 63 14.530 -11.924 -13.700 1.00 21.16 C ATOM 579 O ASP A 63 13.380 -12.205 -13.972 1.00 19.70 O ATOM 580 CB ASP A 63 14.202 -11.030 -11.339 1.00 20.27 C ATOM 581 CG ASP A 63 14.775 -12.192 -10.545 1.00 25.97 C ATOM 582 OD1 ASP A 63 15.398 -13.087 -11.167 1.00 25.33 O ATOM 583 OD2 ASP A 63 14.579 -12.219 -9.313 1.00 26.64 O ATOM 584 H ASP A 63 13.402 -9.163 -12.827 1.00 0.00 H ATOM 585 N GLN A 64 15.573 -12.629 -14.214 1.00 21.79 N ATOM 586 CA GLN A 64 15.356 -13.745 -15.152 1.00 21.69 C ATOM 587 C GLN A 64 14.508 -14.874 -14.545 1.00 21.71 C ATOM 588 O GLN A 64 13.861 -15.619 -15.268 1.00 20.93 O ATOM 589 CB GLN A 64 16.697 -14.299 -15.688 1.00 23.82 C ATOM 590 CG GLN A 64 17.031 -13.863 -17.118 1.00 49.33 C ATOM 591 CD GLN A 64 16.278 -14.666 -18.161 1.00 73.93 C ATOM 592 OE1 GLN A 64 15.398 -14.153 -18.858 1.00 68.15 O ATOM 593 NE2 GLN A 64 16.611 -15.946 -18.305 1.00 69.98 N ATOM 594 HE22 GLN A 64 17.355 -16.360 -17.708 1.00 0.00 H ATOM 595 HE21 GLN A 64 16.127 -16.533 -19.014 1.00 0.00 H ATOM 596 H GLN A 64 16.544 -12.376 -13.940 1.00 0.00 H ATOM 597 N LEU A 65 14.443 -14.960 -13.211 1.00 20.50 N ATOM 598 CA LEU A 65 13.574 -15.936 -12.550 1.00 22.69 C ATOM 599 C LEU A 65 12.085 -15.668 -12.818 1.00 25.33 C ATOM 600 O LEU A 65 11.279 -16.591 -12.859 1.00 23.81 O ATOM 601 CB LEU A 65 13.828 -15.856 -11.030 1.00 24.64 C ATOM 602 CG LEU A 65 13.066 -16.822 -10.142 1.00 31.86 C ATOM 603 CD1 LEU A 65 13.919 -18.044 -9.847 1.00 32.15 C ATOM 604 CD2 LEU A 65 12.628 -16.136 -8.861 1.00 37.32 C ATOM 605 H LEU A 65 15.022 -14.320 -12.631 1.00 0.00 H ATOM 606 N LYS A 66 11.709 -14.385 -12.928 1.00 19.72 N ATOM 607 CA LYS A 66 10.316 -13.971 -13.053 1.00 19.60 C ATOM 608 C LYS A 66 9.992 -13.380 -14.399 1.00 20.99 C ATOM 609 O LYS A 66 8.828 -13.090 -14.659 1.00 21.62 O ATOM 610 CB LYS A 66 10.041 -12.911 -11.977 1.00 20.63 C ATOM 611 CG LYS A 66 10.126 -13.432 -10.551 1.00 27.67 C ATOM 612 CD LYS A 66 9.920 -12.306 -9.542 1.00 31.25 C ATOM 613 CE LYS A 66 9.913 -12.757 -8.108 1.00 47.69 C ATOM 614 NZ LYS A 66 9.915 -11.586 -7.191 1.00 48.22 N ATOM 615 HZ1 LYS A 66 10.768 -11.015 -7.361 1.00 0.00 H ATOM 616 HZ2 LYS A 66 9.069 -11.008 -7.367 1.00 0.00 H ATOM 617 HZ3 LYS A 66 9.910 -11.919 -6.206 1.00 0.00 H ATOM 618 H LYS A 66 12.446 -13.651 -12.924 1.00 0.00 H ATOM 619 N ARG A 67 10.962 -13.247 -15.283 1.00 16.99 N ATOM 620 CA ARG A 67 10.687 -12.572 -16.539 1.00 18.05 C ATOM 621 C ARG A 67 9.586 -13.188 -17.384 1.00 22.09 C ATOM 622 O ARG A 67 8.906 -12.457 -18.118 1.00 22.02 O ATOM 623 CB ARG A 67 11.948 -12.453 -17.349 1.00 21.22 C ATOM 624 CG ARG A 67 11.752 -11.444 -18.487 1.00 26.95 C ATOM 625 CD ARG A 67 13.027 -11.117 -19.131 1.00 24.43 C ATOM 626 NE ARG A 67 13.979 -10.500 -18.223 1.00 18.86 N ATOM 627 CZ ARG A 67 15.263 -10.334 -18.531 1.00 17.55 C ATOM 628 NH1 ARG A 67 15.714 -10.680 -19.734 1.00 20.46 N ATOM 629 NH2 ARG A 67 16.091 -9.784 -17.660 1.00 20.74 N ATOM 630 HE ARG A 67 13.643 -10.175 -17.294 1.00 0.00 H ATOM 631 HH12 ARG A 67 16.718 -10.549 -19.970 1.00 0.00 H ATOM 632 HH11 ARG A 67 15.062 -11.082 -20.438 1.00 0.00 H ATOM 633 HH22 ARG A 67 17.094 -9.656 -17.905 1.00 0.00 H ATOM 634 HH21 ARG A 67 15.740 -9.479 -16.730 1.00 0.00 H ATOM 635 H ARG A 67 11.912 -13.621 -15.083 1.00 0.00 H ATOM 636 N ASN A 68 9.436 -14.504 -17.353 1.00 19.59 N ATOM 637 CA ASN A 68 8.452 -15.186 -18.163 1.00 18.55 C ATOM 638 C ASN A 68 7.096 -15.372 -17.421 1.00 21.56 C ATOM 639 O ASN A 68 6.242 -16.085 -17.952 1.00 23.90 O ATOM 640 CB ASN A 68 9.043 -16.517 -18.700 1.00 19.64 C ATOM 641 CG ASN A 68 10.074 -16.277 -19.789 1.00 46.09 C ATOM 642 OD1 ASN A 68 9.731 -15.921 -20.921 1.00 50.57 O ATOM 643 ND2 ASN A 68 11.356 -16.406 -19.487 1.00 36.22 N ATOM 644 HD22 ASN A 68 11.638 -16.706 -18.532 1.00 0.00 H ATOM 645 HD21 ASN A 68 12.082 -16.207 -20.205 1.00 0.00 H ATOM 646 H ASN A 68 10.046 -15.065 -16.725 1.00 0.00 H ATOM 647 N LEU A 69 6.881 -14.723 -16.248 1.00 20.29 N ATOM 648 CA LEU A 69 5.599 -14.809 -15.520 1.00 20.54 C ATOM 649 C LEU A 69 4.496 -14.218 -16.395 1.00 27.95 C ATOM 650 O LEU A 69 4.700 -13.159 -16.993 1.00 26.60 O ATOM 651 CB LEU A 69 5.625 -14.022 -14.195 1.00 21.86 C ATOM 652 CG LEU A 69 6.316 -14.679 -12.998 1.00 26.35 C ATOM 653 CD1 LEU A 69 6.471 -13.696 -11.861 1.00 27.51 C ATOM 654 CD2 LEU A 69 5.544 -15.872 -12.497 1.00 27.89 C ATOM 655 H LEU A 69 7.647 -14.144 -15.848 1.00 0.00 H ATOM 656 N SER A 70 3.348 -14.902 -16.473 1.00 23.82 N ATOM 657 CA SER A 70 2.220 -14.456 -17.280 1.00 22.90 C ATOM 658 C SER A 70 1.120 -13.890 -16.385 1.00 21.92 C ATOM 659 O SER A 70 0.168 -13.339 -16.948 1.00 22.00 O ATOM 660 CB SER A 70 1.677 -15.602 -18.131 1.00 29.54 C ATOM 661 OG SER A 70 1.298 -16.691 -17.305 1.00 43.54 O ATOM 662 HG SER A 70 0.948 -17.426 -17.869 1.00 0.00 H ATOM 663 H SER A 70 3.258 -15.788 -15.936 1.00 0.00 H ATOM 664 N VAL A 71 1.252 -13.971 -15.029 1.00 19.95 N ATOM 665 CA VAL A 71 0.270 -13.460 -14.065 1.00 19.30 C ATOM 666 C VAL A 71 0.951 -12.844 -12.859 1.00 23.19 C ATOM 667 O VAL A 71 1.871 -13.465 -12.334 1.00 23.06 O ATOM 668 CB VAL A 71 -0.685 -14.595 -13.589 1.00 24.63 C ATOM 669 CG1 VAL A 71 -1.880 -14.039 -12.813 1.00 25.46 C ATOM 670 CG2 VAL A 71 -1.143 -15.481 -14.739 1.00 24.91 C ATOM 671 H VAL A 71 2.108 -14.426 -14.653 1.00 0.00 H ATOM 672 N ILE A 72 0.505 -11.655 -12.392 1.00 18.15 N ATOM 673 CA ILE A 72 0.980 -11.001 -11.175 1.00 17.83 C ATOM 674 C ILE A 72 -0.259 -10.674 -10.353 1.00 21.97 C ATOM 675 O ILE A 72 -1.182 -10.020 -10.865 1.00 21.69 O ATOM 676 CB ILE A 72 1.787 -9.704 -11.467 1.00 19.16 C ATOM 677 CG1 ILE A 72 2.977 -9.953 -12.412 1.00 21.18 C ATOM 678 CG2 ILE A 72 2.224 -8.969 -10.203 1.00 20.17 C ATOM 679 CD1 ILE A 72 4.094 -10.836 -11.872 1.00 26.37 C ATOM 680 H ILE A 72 -0.232 -11.169 -12.941 1.00 0.00 H ATOM 681 N ASN A 73 -0.235 -11.020 -9.067 1.00 19.73 N ATOM 682 CA ASN A 73 -1.307 -10.709 -8.127 1.00 19.51 C ATOM 683 C ASN A 73 -0.883 -9.556 -7.232 1.00 22.18 C ATOM 684 O ASN A 73 0.089 -9.674 -6.498 1.00 23.42 O ATOM 685 CB ASN A 73 -1.616 -11.906 -7.223 1.00 19.81 C ATOM 686 CG ASN A 73 -2.111 -13.085 -8.012 1.00 34.13 C ATOM 687 OD1 ASN A 73 -3.242 -13.092 -8.504 1.00 27.51 O ATOM 688 ND2 ASN A 73 -1.281 -14.110 -8.162 1.00 36.04 N ATOM 689 HD22 ASN A 73 -0.333 -14.078 -7.736 1.00 0.00 H ATOM 690 HD21 ASN A 73 -1.579 -14.945 -8.705 1.00 0.00 H ATOM 691 H ASN A 73 0.593 -11.540 -8.713 1.00 0.00 H ATOM 692 N LEU A 74 -1.627 -8.441 -7.270 1.00 18.34 N ATOM 693 CA LEU A 74 -1.321 -7.334 -6.388 1.00 19.29 C ATOM 694 C LEU A 74 -1.912 -7.535 -4.995 1.00 21.19 C ATOM 695 O LEU A 74 -2.809 -8.371 -4.793 1.00 20.97 O ATOM 696 CB LEU A 74 -1.829 -6.025 -7.021 1.00 19.03 C ATOM 697 CG LEU A 74 -1.380 -5.725 -8.462 1.00 22.40 C ATOM 698 CD1 LEU A 74 -1.653 -4.259 -8.813 1.00 21.85 C ATOM 699 CD2 LEU A 74 0.099 -6.016 -8.684 1.00 21.27 C ATOM 700 H LEU A 74 -2.425 -8.371 -7.934 1.00 0.00 H ATOM 701 N ASP A 75 -1.397 -6.776 -4.038 1.00 19.62 N ATOM 702 CA ASP A 75 -1.846 -6.736 -2.649 1.00 20.29 C ATOM 703 C ASP A 75 -3.390 -6.549 -2.625 1.00 23.36 C ATOM 704 O ASP A 75 -3.913 -5.697 -3.360 1.00 21.61 O ATOM 705 CB ASP A 75 -1.117 -5.574 -1.916 1.00 22.72 C ATOM 706 CG ASP A 75 -1.717 -4.952 -0.658 1.00 36.41 C ATOM 707 OD1 ASP A 75 -2.373 -5.679 0.113 1.00 33.74 O ATOM 708 OD2 ASP A 75 -1.466 -3.738 -0.415 1.00 45.12 O ATOM 709 H ASP A 75 -0.604 -6.155 -4.299 1.00 0.00 H ATOM 710 N PRO A 76 -4.145 -7.327 -1.824 1.00 22.24 N ATOM 711 CA PRO A 76 -5.612 -7.151 -1.795 1.00 21.47 C ATOM 712 C PRO A 76 -6.116 -5.775 -1.347 1.00 23.42 C ATOM 713 O PRO A 76 -7.264 -5.455 -1.611 1.00 23.28 O ATOM 714 CB PRO A 76 -6.063 -8.247 -0.801 1.00 23.92 C ATOM 715 CG PRO A 76 -4.966 -9.235 -0.815 1.00 29.18 C ATOM 716 CD PRO A 76 -3.733 -8.426 -0.923 1.00 24.93 C ATOM 717 N GLU A 77 -5.284 -4.969 -0.661 1.00 18.41 N ATOM 718 CA GLU A 77 -5.668 -3.622 -0.238 1.00 17.62 C ATOM 719 C GLU A 77 -5.563 -2.624 -1.405 1.00 23.23 C ATOM 720 O GLU A 77 -5.994 -1.494 -1.234 1.00 24.15 O ATOM 721 CB GLU A 77 -4.842 -3.128 0.958 1.00 18.64 C ATOM 722 CG GLU A 77 -4.940 -4.037 2.172 1.00 18.21 C ATOM 723 CD GLU A 77 -6.360 -4.325 2.608 1.00 22.26 C ATOM 724 OE1 GLU A 77 -7.141 -3.355 2.742 1.00 20.54 O ATOM 725 OE2 GLU A 77 -6.730 -5.520 2.665 1.00 26.18 O ATOM 726 H GLU A 77 -4.333 -5.317 -0.423 1.00 0.00 H ATOM 727 N ILE A 78 -4.998 -3.033 -2.572 1.00 18.94 N ATOM 728 CA ILE A 78 -4.940 -2.168 -3.759 1.00 20.10 C ATOM 729 C ILE A 78 -6.315 -2.095 -4.419 1.00 26.93 C ATOM 730 O ILE A 78 -6.971 -3.107 -4.668 1.00 26.79 O ATOM 731 CB ILE A 78 -3.857 -2.634 -4.777 1.00 23.61 C ATOM 732 CG1 ILE A 78 -2.453 -2.468 -4.164 1.00 24.52 C ATOM 733 CG2 ILE A 78 -3.954 -1.879 -6.121 1.00 22.64 C ATOM 734 CD1 ILE A 78 -1.995 -1.034 -3.886 1.00 31.21 C ATOM 735 H ILE A 78 -4.593 -3.990 -2.627 1.00 0.00 H ATOM 736 N ASN A 79 -6.719 -0.864 -4.698 1.00 26.52 N ATOM 737 CA ASN A 79 -7.997 -0.494 -5.283 1.00 26.85 C ATOM 738 C ASN A 79 -8.003 -0.786 -6.812 1.00 28.17 C ATOM 739 O ASN A 79 -7.135 -0.252 -7.504 1.00 25.09 O ATOM 740 CB ASN A 79 -8.157 1.004 -5.011 1.00 29.68 C ATOM 741 CG ASN A 79 -9.441 1.614 -5.429 1.00 48.25 C ATOM 742 OD1 ASN A 79 -9.438 2.510 -6.265 1.00 33.72 O ATOM 743 ND2 ASN A 79 -10.532 1.244 -4.769 1.00 47.88 N ATOM 744 HD22 ASN A 79 -10.481 0.477 -4.069 1.00 0.00 H ATOM 745 HD21 ASN A 79 -11.438 1.721 -4.952 1.00 0.00 H ATOM 746 H ASN A 79 -6.060 -0.090 -4.478 1.00 0.00 H ATOM 747 N PRO A 80 -8.915 -1.647 -7.347 1.00 24.33 N ATOM 748 CA PRO A 80 -8.941 -1.905 -8.803 1.00 24.31 C ATOM 749 C PRO A 80 -9.115 -0.639 -9.644 1.00 23.89 C ATOM 750 O PRO A 80 -8.451 -0.487 -10.679 1.00 21.04 O ATOM 751 CB PRO A 80 -10.121 -2.859 -8.984 1.00 27.40 C ATOM 752 CG PRO A 80 -10.377 -3.434 -7.656 1.00 30.13 C ATOM 753 CD PRO A 80 -9.976 -2.406 -6.657 1.00 25.86 C ATOM 754 N GLU A 81 -9.945 0.306 -9.191 1.00 18.96 N ATOM 755 CA GLU A 81 -10.108 1.576 -9.919 1.00 18.99 C ATOM 756 C GLU A 81 -8.793 2.364 -9.954 1.00 21.14 C ATOM 757 O GLU A 81 -8.442 2.942 -10.976 1.00 17.82 O ATOM 758 CB GLU A 81 -11.213 2.453 -9.300 1.00 21.18 C ATOM 759 CG GLU A 81 -11.479 3.749 -10.077 1.00 31.96 C ATOM 760 CD GLU A 81 -12.286 4.821 -9.371 1.00 56.42 C ATOM 761 OE1 GLU A 81 -12.537 4.688 -8.151 1.00 40.17 O ATOM 762 OE2 GLU A 81 -12.604 5.837 -10.031 1.00 51.87 O ATOM 763 H GLU A 81 -10.481 0.143 -8.315 1.00 0.00 H ATOM 764 N GLY A 82 -8.074 2.426 -8.846 1.00 18.19 N ATOM 765 CA GLY A 82 -6.810 3.138 -8.797 1.00 16.53 C ATOM 766 C GLY A 82 -5.783 2.479 -9.696 1.00 16.46 C ATOM 767 O GLY A 82 -5.068 3.169 -10.424 1.00 15.78 O ATOM 768 H GLY A 82 -8.423 1.953 -7.988 1.00 0.00 H ATOM 769 N PHE A 83 -5.776 1.144 -9.758 1.00 14.13 N ATOM 770 CA PHE A 83 -4.866 0.469 -10.680 1.00 13.78 C ATOM 771 C PHE A 83 -5.222 0.791 -12.130 1.00 15.29 C ATOM 772 O PHE A 83 -4.318 1.131 -12.894 1.00 14.29 O ATOM 773 CB PHE A 83 -4.856 -1.038 -10.451 1.00 14.64 C ATOM 774 CG PHE A 83 -3.883 -1.718 -11.380 1.00 13.83 C ATOM 775 CD1 PHE A 83 -2.516 -1.574 -11.192 1.00 14.94 C ATOM 776 CD2 PHE A 83 -4.319 -2.325 -12.546 1.00 14.09 C ATOM 777 CE1 PHE A 83 -1.614 -2.092 -12.102 1.00 15.29 C ATOM 778 CE2 PHE A 83 -3.420 -2.849 -13.449 1.00 13.89 C ATOM 779 CZ PHE A 83 -2.064 -2.704 -13.237 1.00 12.74 C ATOM 780 H PHE A 83 -6.415 0.589 -9.153 1.00 0.00 H ATOM 781 N ASN A 84 -6.511 0.735 -12.492 1.00 12.94 N ATOM 782 CA ASN A 84 -6.920 1.019 -13.867 1.00 13.01 C ATOM 783 C ASN A 84 -6.554 2.463 -14.293 1.00 15.74 C ATOM 784 O ASN A 84 -6.133 2.705 -15.428 1.00 14.61 O ATOM 785 CB ASN A 84 -8.429 0.769 -14.020 1.00 15.51 C ATOM 786 CG ASN A 84 -8.922 0.604 -15.439 1.00 29.05 C ATOM 787 OD1 ASN A 84 -8.153 0.542 -16.393 1.00 31.73 O ATOM 788 ND2 ASN A 84 -10.185 0.292 -15.568 1.00 26.90 N ATOM 789 HD22 ASN A 84 -10.822 0.351 -14.748 1.00 0.00 H ATOM 790 HD21 ASN A 84 -10.553 -0.015 -16.491 1.00 0.00 H ATOM 791 H ASN A 84 -7.231 0.486 -11.784 1.00 0.00 H ATOM 792 N ILE A 85 -6.717 3.423 -13.398 1.00 13.14 N ATOM 793 CA ILE A 85 -6.343 4.799 -13.697 1.00 12.68 C ATOM 794 C ILE A 85 -4.853 4.884 -14.021 1.00 15.61 C ATOM 795 O ILE A 85 -4.422 5.602 -14.920 1.00 14.05 O ATOM 796 CB ILE A 85 -6.719 5.727 -12.497 1.00 13.78 C ATOM 797 CG1 ILE A 85 -8.238 5.965 -12.503 1.00 15.08 C ATOM 798 CG2 ILE A 85 -5.940 7.092 -12.480 1.00 15.45 C ATOM 799 CD1 ILE A 85 -8.782 6.598 -11.163 1.00 19.32 C ATOM 800 H ILE A 85 -7.118 3.192 -12.467 1.00 0.00 H ATOM 801 N LEU A 86 -4.042 4.159 -13.253 1.00 13.17 N ATOM 802 CA LEU A 86 -2.613 4.215 -13.466 1.00 11.58 C ATOM 803 C LEU A 86 -2.188 3.423 -14.677 1.00 13.01 C ATOM 804 O LEU A 86 -1.296 3.900 -15.381 1.00 12.17 O ATOM 805 CB LEU A 86 -1.877 3.752 -12.201 1.00 11.71 C ATOM 806 CG LEU A 86 -1.969 4.782 -11.079 1.00 15.49 C ATOM 807 CD1 LEU A 86 -1.403 4.247 -9.831 1.00 15.71 C ATOM 808 CD2 LEU A 86 -1.216 6.038 -11.392 1.00 18.95 C ATOM 809 H LEU A 86 -4.435 3.555 -12.503 1.00 0.00 H ATOM 810 N LEU A 87 -2.845 2.300 -15.000 1.00 12.40 N ATOM 811 CA LEU A 87 -2.527 1.565 -16.230 1.00 11.27 C ATOM 812 C LEU A 87 -2.860 2.435 -17.434 1.00 13.38 C ATOM 813 O LEU A 87 -2.110 2.492 -18.400 1.00 13.48 O ATOM 814 CB LEU A 87 -3.309 0.265 -16.296 1.00 11.06 C ATOM 815 CG LEU A 87 -3.039 -0.641 -17.477 1.00 14.06 C ATOM 816 CD1 LEU A 87 -1.602 -1.126 -17.510 1.00 13.24 C ATOM 817 CD2 LEU A 87 -3.976 -1.848 -17.425 1.00 16.63 C ATOM 818 H LEU A 87 -3.591 1.944 -14.369 1.00 0.00 H ATOM 819 N ASP A 88 -4.004 3.122 -17.379 1.00 11.89 N ATOM 820 CA ASP A 88 -4.340 4.051 -18.466 1.00 11.32 C ATOM 821 C ASP A 88 -3.302 5.143 -18.571 1.00 14.37 C ATOM 822 O ASP A 88 -2.959 5.559 -19.681 1.00 13.90 O ATOM 823 CB ASP A 88 -5.727 4.677 -18.266 1.00 12.75 C ATOM 824 CG ASP A 88 -6.881 3.775 -18.648 1.00 26.29 C ATOM 825 OD1 ASP A 88 -6.685 2.899 -19.516 1.00 30.15 O ATOM 826 OD2 ASP A 88 -7.995 3.990 -18.139 1.00 33.16 O ATOM 827 H ASP A 88 -4.651 3.000 -16.574 1.00 0.00 H ATOM 828 N PHE A 89 -2.874 5.709 -17.459 1.00 11.91 N ATOM 829 CA PHE A 89 -1.837 6.723 -17.489 1.00 10.97 C ATOM 830 C PHE A 89 -0.574 6.218 -18.183 1.00 12.23 C ATOM 831 O PHE A 89 0.052 6.901 -18.994 1.00 11.23 O ATOM 832 CB PHE A 89 -1.511 7.210 -16.076 1.00 11.30 C ATOM 833 CG PHE A 89 -0.226 7.982 -16.013 1.00 11.15 C ATOM 834 CD1 PHE A 89 -0.150 9.266 -16.524 1.00 12.07 C ATOM 835 CD2 PHE A 89 0.954 7.366 -15.614 1.00 11.35 C ATOM 836 CE1 PHE A 89 1.049 9.932 -16.565 1.00 12.10 C ATOM 837 CE2 PHE A 89 2.159 8.037 -15.642 1.00 12.29 C ATOM 838 CZ PHE A 89 2.202 9.334 -16.088 1.00 12.30 C ATOM 839 H PHE A 89 -3.286 5.424 -16.548 1.00 0.00 H ATOM 840 N MET A 90 -0.156 5.013 -17.808 1.00 10.95 N ATOM 841 CA MET A 90 1.054 4.456 -18.406 1.00 10.10 C ATOM 842 C MET A 90 0.999 4.516 -19.942 1.00 10.97 C ATOM 843 O MET A 90 1.992 4.840 -20.555 1.00 10.90 O ATOM 844 CB MET A 90 1.213 2.967 -18.008 1.00 11.52 C ATOM 845 CG MET A 90 1.451 2.740 -16.541 1.00 11.63 C ATOM 846 SD MET A 90 1.781 0.967 -16.260 1.00 13.45 S ATOM 847 CE MET A 90 1.691 0.891 -14.453 1.00 14.79 C ATOM 848 H MET A 90 -0.686 4.472 -17.095 1.00 0.00 H ATOM 849 N TYR A 91 -0.167 4.217 -20.506 1.00 11.00 N ATOM 850 CA TYR A 91 -0.356 4.112 -21.947 1.00 10.83 C ATOM 851 C TYR A 91 -0.880 5.406 -22.598 1.00 13.86 C ATOM 852 O TYR A 91 -1.043 5.387 -23.818 1.00 13.24 O ATOM 853 CB TYR A 91 -1.339 2.972 -22.260 1.00 11.91 C ATOM 854 CG TYR A 91 -0.716 1.595 -22.272 1.00 10.62 C ATOM 855 CD1 TYR A 91 -0.247 1.040 -23.447 1.00 11.13 C ATOM 856 CD2 TYR A 91 -0.716 0.796 -21.127 1.00 10.93 C ATOM 857 CE1 TYR A 91 0.275 -0.249 -23.477 1.00 11.34 C ATOM 858 CE2 TYR A 91 -0.133 -0.465 -21.126 1.00 11.77 C ATOM 859 CZ TYR A 91 0.278 -1.021 -22.325 1.00 13.90 C ATOM 860 OH TYR A 91 0.732 -2.318 -22.350 1.00 13.37 O ATOM 861 HH TYR A 91 0.985 -2.560 -23.276 1.00 0.00 H ATOM 862 H TYR A 91 -0.986 4.049 -19.887 1.00 0.00 H ATOM 863 N THR A 92 -1.140 6.489 -21.849 1.00 12.48 N ATOM 864 CA THR A 92 -1.623 7.760 -22.439 1.00 11.51 C ATOM 865 C THR A 92 -0.931 9.020 -22.009 1.00 15.39 C ATOM 866 O THR A 92 -1.162 10.042 -22.659 1.00 14.96 O ATOM 867 CB THR A 92 -3.108 7.925 -22.100 1.00 15.85 C ATOM 868 OG1 THR A 92 -3.196 8.124 -20.673 1.00 13.42 O ATOM 869 CG2 THR A 92 -3.981 6.735 -22.540 1.00 13.08 C ATOM 870 HG1 THR A 92 -2.816 7.338 -20.207 1.00 0.00 H ATOM 871 H THR A 92 -0.998 6.435 -20.820 1.00 0.00 H ATOM 872 N SER A 93 -0.196 9.046 -20.910 1.00 13.92 N ATOM 873 CA SER A 93 0.374 10.265 -20.346 1.00 12.37 C ATOM 874 C SER A 93 -0.680 11.133 -19.720 1.00 12.60 C ATOM 875 O SER A 93 -0.319 12.258 -19.370 1.00 14.39 O ATOM 876 CB SER A 93 1.167 11.079 -21.357 1.00 13.39 C ATOM 877 OG SER A 93 2.123 10.291 -22.036 1.00 15.64 O ATOM 878 HG SER A 93 2.616 10.856 -22.682 1.00 0.00 H ATOM 879 H SER A 93 -0.014 8.147 -20.420 1.00 0.00 H ATOM 880 N ARG A 94 -1.904 10.661 -19.536 1.00 11.58 N ATOM 881 CA ARG A 94 -2.992 11.455 -18.953 1.00 12.74 C ATOM 882 C ARG A 94 -3.440 10.792 -17.693 1.00 13.45 C ATOM 883 O ARG A 94 -3.689 9.587 -17.674 1.00 12.66 O ATOM 884 CB ARG A 94 -4.137 11.584 -19.943 1.00 14.31 C ATOM 885 CG ARG A 94 -3.708 12.398 -21.142 1.00 21.54 C ATOM 886 CD ARG A 94 -4.814 12.610 -22.152 1.00 27.13 C ATOM 887 NE ARG A 94 -4.343 13.442 -23.267 1.00 47.60 N ATOM 888 CZ ARG A 94 -5.120 14.010 -24.192 1.00 71.10 C ATOM 889 NH1 ARG A 94 -6.441 13.848 -24.158 1.00 61.73 N ATOM 890 NH2 ARG A 94 -4.581 14.747 -25.159 1.00 59.90 N ATOM 891 HE ARG A 94 -3.318 13.602 -23.342 1.00 0.00 H ATOM 892 HH12 ARG A 94 -7.038 14.294 -24.883 1.00 0.00 H ATOM 893 HH11 ARG A 94 -6.875 13.275 -23.407 1.00 0.00 H ATOM 894 HH22 ARG A 94 -5.190 15.188 -25.878 1.00 0.00 H ATOM 895 HH21 ARG A 94 -3.551 14.883 -25.196 1.00 0.00 H ATOM 896 H ARG A 94 -2.104 9.680 -19.818 1.00 0.00 H ATOM 897 N LEU A 95 -3.471 11.574 -16.589 1.00 13.25 N ATOM 898 CA LEU A 95 -3.792 11.060 -15.259 1.00 14.49 C ATOM 899 C LEU A 95 -5.106 11.621 -14.756 1.00 17.17 C ATOM 900 O LEU A 95 -5.242 12.841 -14.639 1.00 16.65 O ATOM 901 CB LEU A 95 -2.667 11.422 -14.299 1.00 15.12 C ATOM 902 CG LEU A 95 -2.764 10.876 -12.878 1.00 16.87 C ATOM 903 CD1 LEU A 95 -2.652 9.335 -12.854 1.00 14.99 C ATOM 904 CD2 LEU A 95 -1.687 11.487 -12.030 1.00 18.81 C ATOM 905 H LEU A 95 -3.257 12.587 -16.692 1.00 0.00 H ATOM 906 N ASN A 96 -6.055 10.747 -14.478 1.00 17.36 N ATOM 907 CA ASN A 96 -7.347 11.161 -13.944 1.00 18.35 C ATOM 908 C ASN A 96 -7.235 11.302 -12.403 1.00 23.69 C ATOM 909 O ASN A 96 -7.525 10.339 -11.669 1.00 23.97 O ATOM 910 CB ASN A 96 -8.425 10.155 -14.328 1.00 21.69 C ATOM 911 CG ASN A 96 -9.809 10.536 -13.867 1.00 41.65 C ATOM 912 OD1 ASN A 96 -10.108 11.707 -13.607 1.00 38.51 O ATOM 913 ND2 ASN A 96 -10.687 9.554 -13.790 1.00 35.04 N ATOM 914 HD22 ASN A 96 -10.400 8.580 -14.016 1.00 0.00 H ATOM 915 HD21 ASN A 96 -11.666 9.754 -13.503 1.00 0.00 H ATOM 916 H ASN A 96 -5.876 9.736 -14.644 1.00 0.00 H ATOM 917 N LEU A 97 -6.772 12.483 -11.936 1.00 22.97 N ATOM 918 CA LEU A 97 -6.674 12.816 -10.502 1.00 25.78 C ATOM 919 C LEU A 97 -7.847 13.709 -10.155 1.00 29.45 C ATOM 920 O LEU A 97 -8.049 14.724 -10.822 1.00 30.16 O ATOM 921 CB LEU A 97 -5.406 13.607 -10.133 1.00 27.25 C ATOM 922 CG LEU A 97 -4.161 12.871 -9.707 1.00 30.57 C ATOM 923 CD1 LEU A 97 -3.140 13.839 -9.149 1.00 29.67 C ATOM 924 CD2 LEU A 97 -4.454 11.770 -8.689 1.00 34.44 C ATOM 925 H LEU A 97 -6.467 13.198 -12.627 1.00 0.00 H ATOM 926 N ARG A 98 -8.555 13.381 -9.079 1.00 26.68 N ATOM 927 CA ARG A 98 -9.698 14.142 -8.561 1.00 27.57 C ATOM 928 C ARG A 98 -9.699 14.070 -7.027 1.00 30.79 C ATOM 929 O ARG A 98 -9.068 13.181 -6.471 1.00 29.23 O ATOM 930 CB ARG A 98 -11.006 13.528 -9.084 1.00 30.63 C ATOM 931 CG ARG A 98 -11.239 13.707 -10.578 1.00 45.63 C ATOM 932 CD ARG A 98 -12.715 13.614 -10.940 1.00 57.90 C ATOM 933 NE ARG A 98 -13.187 12.229 -11.065 1.00 70.38 N ATOM 934 CZ ARG A 98 -13.383 11.560 -12.206 1.00 86.36 C ATOM 935 NH1 ARG A 98 -13.126 12.133 -13.381 1.00 71.82 N ATOM 936 NH2 ARG A 98 -13.826 10.308 -12.180 1.00 73.72 N ATOM 937 HE ARG A 98 -13.388 11.719 -10.181 1.00 0.00 H ATOM 938 HH12 ARG A 98 -13.282 11.604 -14.263 1.00 0.00 H ATOM 939 HH11 ARG A 98 -12.770 13.109 -13.417 1.00 0.00 H ATOM 940 HH22 ARG A 98 -13.977 9.791 -13.070 1.00 0.00 H ATOM 941 HH21 ARG A 98 -14.022 9.844 -11.270 1.00 0.00 H ATOM 942 H ARG A 98 -8.278 12.520 -8.565 1.00 0.00 H ATOM 943 N GLU A 99 -10.475 14.925 -6.336 1.00 28.11 N ATOM 944 CA GLU A 99 -10.544 14.824 -4.872 1.00 27.92 C ATOM 945 C GLU A 99 -11.113 13.470 -4.428 1.00 30.04 C ATOM 946 O GLU A 99 -10.625 12.893 -3.464 1.00 30.48 O ATOM 947 CB GLU A 99 -11.368 15.982 -4.257 1.00 30.23 C ATOM 948 CG GLU A 99 -10.528 17.189 -3.882 1.00 45.50 C ATOM 949 CD GLU A 99 -9.566 16.940 -2.734 1.00 73.55 C ATOM 950 OE1 GLU A 99 -8.356 17.212 -2.906 1.00 71.30 O ATOM 951 OE2 GLU A 99 -10.009 16.411 -1.688 1.00 68.29 O ATOM 952 H GLU A 99 -11.023 15.654 -6.836 1.00 0.00 H ATOM 953 N GLY A 100 -12.073 12.937 -5.176 1.00 25.35 N ATOM 954 CA GLY A 100 -12.695 11.654 -4.879 1.00 24.51 C ATOM 955 C GLY A 100 -11.792 10.440 -5.040 1.00 26.13 C ATOM 956 O GLY A 100 -12.127 9.372 -4.528 1.00 26.96 O ATOM 957 H GLY A 100 -12.396 13.461 -6.014 1.00 0.00 H ATOM 958 N ASN A 101 -10.657 10.563 -5.781 1.00 23.48 N ATOM 959 CA ASN A 101 -9.753 9.421 -5.986 1.00 21.58 C ATOM 960 C ASN A 101 -8.288 9.666 -5.614 1.00 20.84 C ATOM 961 O ASN A 101 -7.501 8.726 -5.749 1.00 17.92 O ATOM 962 CB ASN A 101 -9.823 8.952 -7.438 1.00 19.57 C ATOM 963 CG ASN A 101 -9.206 9.871 -8.460 1.00 16.13 C ATOM 964 OD1 ASN A 101 -8.382 10.743 -8.173 1.00 19.34 O ATOM 965 ND2 ASN A 101 -9.586 9.667 -9.723 1.00 21.99 N ATOM 966 HD22 ASN A 101 -10.282 8.926 -9.943 1.00 0.00 H ATOM 967 HD21 ASN A 101 -9.186 10.249 -10.487 1.00 0.00 H ATOM 968 H ASN A 101 -10.425 11.481 -6.210 1.00 0.00 H ATOM 969 N ILE A 102 -7.895 10.876 -5.207 1.00 17.88 N ATOM 970 CA ILE A 102 -6.479 11.212 -4.954 1.00 18.15 C ATOM 971 C ILE A 102 -5.780 10.247 -4.002 1.00 20.95 C ATOM 972 O ILE A 102 -4.659 9.813 -4.298 1.00 19.37 O ATOM 973 CB ILE A 102 -6.266 12.679 -4.507 1.00 21.65 C ATOM 974 CG1 ILE A 102 -4.769 13.017 -4.345 1.00 21.96 C ATOM 975 CG2 ILE A 102 -7.025 13.037 -3.218 1.00 21.51 C ATOM 976 CD1 ILE A 102 -3.999 12.954 -5.527 1.00 27.67 C ATOM 977 H ILE A 102 -8.616 11.612 -5.062 1.00 0.00 H ATOM 978 N MET A 103 -6.414 9.891 -2.896 1.00 19.08 N ATOM 979 CA MET A 103 -5.737 9.027 -1.938 1.00 18.08 C ATOM 980 C MET A 103 -5.592 7.600 -2.453 1.00 19.30 C ATOM 981 O MET A 103 -4.548 6.998 -2.260 1.00 17.47 O ATOM 982 CB MET A 103 -6.408 9.093 -0.558 1.00 19.49 C ATOM 983 CG MET A 103 -6.446 10.535 0.021 1.00 24.12 C ATOM 984 SD MET A 103 -4.899 11.475 -0.122 1.00 27.84 S ATOM 985 CE MET A 103 -4.006 10.739 1.129 1.00 25.64 C ATOM 986 H MET A 103 -7.382 10.224 -2.713 1.00 0.00 H ATOM 987 N ALA A 104 -6.565 7.097 -3.188 1.00 18.22 N ATOM 988 CA ALA A 104 -6.467 5.768 -3.776 1.00 18.60 C ATOM 989 C ALA A 104 -5.415 5.748 -4.885 1.00 19.54 C ATOM 990 O ALA A 104 -4.651 4.782 -4.969 1.00 17.09 O ATOM 991 CB ALA A 104 -7.807 5.326 -4.328 1.00 20.62 C ATOM 992 H ALA A 104 -7.422 7.663 -3.352 1.00 0.00 H ATOM 993 N VAL A 105 -5.350 6.801 -5.714 1.00 17.21 N ATOM 994 CA VAL A 105 -4.359 6.848 -6.783 1.00 15.61 C ATOM 995 C VAL A 105 -2.956 7.006 -6.204 1.00 17.45 C ATOM 996 O VAL A 105 -2.014 6.352 -6.670 1.00 15.57 O ATOM 997 CB VAL A 105 -4.704 7.938 -7.815 1.00 18.56 C ATOM 998 CG1 VAL A 105 -3.556 8.143 -8.816 1.00 17.71 C ATOM 999 CG2 VAL A 105 -5.992 7.564 -8.559 1.00 18.92 C ATOM 1000 H VAL A 105 -6.014 7.592 -5.593 1.00 0.00 H ATOM 1001 N MET A 106 -2.793 7.876 -5.197 1.00 15.01 N ATOM 1002 CA MET A 106 -1.482 8.042 -4.599 1.00 14.11 C ATOM 1003 C MET A 106 -1.025 6.725 -3.941 1.00 15.78 C ATOM 1004 O MET A 106 0.136 6.347 -4.099 1.00 15.31 O ATOM 1005 CB MET A 106 -1.498 9.179 -3.596 1.00 15.97 C ATOM 1006 CG MET A 106 -0.132 9.604 -3.188 1.00 17.78 C ATOM 1007 SD MET A 106 -0.314 10.898 -1.983 1.00 22.27 S ATOM 1008 CE MET A 106 0.916 11.954 -2.458 1.00 21.07 C ATOM 1009 H MET A 106 -3.602 8.428 -4.847 1.00 0.00 H ATOM 1010 N ALA A 107 -1.917 6.030 -3.239 1.00 14.79 N ATOM 1011 CA ALA A 107 -1.575 4.757 -2.614 1.00 13.89 C ATOM 1012 C ALA A 107 -1.096 3.757 -3.662 1.00 14.60 C ATOM 1013 O ALA A 107 -0.106 3.051 -3.465 1.00 14.46 O ATOM 1014 CB ALA A 107 -2.790 4.189 -1.886 1.00 15.29 C ATOM 1015 H ALA A 107 -2.882 6.404 -3.133 1.00 0.00 H ATOM 1016 N THR A 108 -1.825 3.659 -4.785 1.00 13.64 N ATOM 1017 CA THR A 108 -1.483 2.723 -5.834 1.00 12.70 C ATOM 1018 C THR A 108 -0.188 3.130 -6.534 1.00 15.22 C ATOM 1019 O THR A 108 0.618 2.255 -6.843 1.00 14.83 O ATOM 1020 CB THR A 108 -2.660 2.609 -6.837 1.00 16.61 C ATOM 1021 OG1 THR A 108 -3.879 2.426 -6.122 1.00 17.32 O ATOM 1022 CG2 THR A 108 -2.505 1.454 -7.771 1.00 16.13 C ATOM 1023 HG1 THR A 108 -4.029 3.200 -5.524 1.00 0.00 H ATOM 1024 H THR A 108 -2.657 4.272 -4.904 1.00 0.00 H ATOM 1025 N ALA A 109 0.040 4.426 -6.736 1.00 11.55 N ATOM 1026 CA ALA A 109 1.285 4.886 -7.342 1.00 12.53 C ATOM 1027 C ALA A 109 2.504 4.623 -6.493 1.00 14.59 C ATOM 1028 O ALA A 109 3.571 4.316 -7.021 1.00 12.95 O ATOM 1029 CB ALA A 109 1.210 6.347 -7.679 1.00 13.61 C ATOM 1030 H ALA A 109 -0.681 5.122 -6.457 1.00 0.00 H ATOM 1031 N MET A 110 2.351 4.780 -5.165 1.00 12.59 N ATOM 1032 CA MET A 110 3.447 4.462 -4.271 1.00 12.76 C ATOM 1033 C MET A 110 3.747 2.972 -4.291 1.00 14.03 C ATOM 1034 O MET A 110 4.901 2.559 -4.390 1.00 14.49 O ATOM 1035 CB MET A 110 3.127 4.928 -2.852 1.00 14.98 C ATOM 1036 CG MET A 110 3.179 6.416 -2.738 1.00 18.70 C ATOM 1037 SD MET A 110 3.105 6.988 -1.030 1.00 26.26 S ATOM 1038 CE MET A 110 1.566 6.583 -0.738 1.00 18.43 C ATOM 1039 H MET A 110 1.449 5.128 -4.781 1.00 0.00 H ATOM 1040 N TYR A 111 2.721 2.157 -4.263 1.00 13.76 N ATOM 1041 CA TYR A 111 2.861 0.716 -4.304 1.00 14.32 C ATOM 1042 C TYR A 111 3.528 0.274 -5.615 1.00 15.22 C ATOM 1043 O TYR A 111 4.445 -0.538 -5.611 1.00 15.14 O ATOM 1044 CB TYR A 111 1.467 0.091 -4.153 1.00 15.25 C ATOM 1045 CG TYR A 111 1.455 -1.411 -4.303 1.00 16.09 C ATOM 1046 CD1 TYR A 111 1.774 -2.240 -3.234 1.00 18.49 C ATOM 1047 CD2 TYR A 111 1.069 -2.007 -5.498 1.00 16.75 C ATOM 1048 CE1 TYR A 111 1.674 -3.622 -3.344 1.00 19.50 C ATOM 1049 CE2 TYR A 111 0.957 -3.386 -5.614 1.00 18.02 C ATOM 1050 CZ TYR A 111 1.330 -4.194 -4.553 1.00 23.74 C ATOM 1051 OH TYR A 111 1.214 -5.561 -4.669 1.00 25.12 O ATOM 1052 HH TYR A 111 1.520 -5.989 -3.830 1.00 0.00 H ATOM 1053 H TYR A 111 1.765 2.563 -4.209 1.00 0.00 H ATOM 1054 N LEU A 112 3.116 0.869 -6.753 1.00 14.01 N ATOM 1055 CA LEU A 112 3.713 0.546 -8.060 1.00 12.29 C ATOM 1056 C LEU A 112 5.051 1.256 -8.299 1.00 13.70 C ATOM 1057 O LEU A 112 5.670 0.967 -9.315 1.00 13.98 O ATOM 1058 CB LEU A 112 2.764 0.935 -9.208 1.00 11.51 C ATOM 1059 CG LEU A 112 1.457 0.186 -9.299 1.00 14.21 C ATOM 1060 CD1 LEU A 112 0.617 0.751 -10.471 1.00 14.40 C ATOM 1061 CD2 LEU A 112 1.681 -1.308 -9.468 1.00 13.15 C ATOM 1062 H LEU A 112 2.355 1.576 -6.706 1.00 0.00 H ATOM 1063 N GLN A 113 5.479 2.149 -7.437 1.00 14.06 N ATOM 1064 CA GLN A 113 6.748 2.874 -7.578 1.00 13.07 C ATOM 1065 C GLN A 113 6.792 3.685 -8.871 1.00 15.48 C ATOM 1066 O GLN A 113 7.666 3.509 -9.714 1.00 14.60 O ATOM 1067 CB GLN A 113 7.962 1.955 -7.436 1.00 14.77 C ATOM 1068 CG GLN A 113 8.003 1.179 -6.110 1.00 15.80 C ATOM 1069 CD GLN A 113 9.000 0.055 -6.095 1.00 23.36 C ATOM 1070 OE1 GLN A 113 8.751 -1.012 -5.509 1.00 26.39 O ATOM 1071 NE2 GLN A 113 10.135 0.242 -6.714 1.00 18.52 N ATOM 1072 HE22 GLN A 113 10.321 1.144 -7.198 1.00 0.00 H ATOM 1073 HE21 GLN A 113 10.853 -0.511 -6.723 1.00 0.00 H ATOM 1074 H GLN A 113 4.886 2.354 -6.608 1.00 0.00 H ATOM 1075 N MET A 114 5.808 4.584 -8.997 1.00 13.86 N ATOM 1076 CA MET A 114 5.694 5.488 -10.128 1.00 12.11 C ATOM 1077 C MET A 114 5.991 6.859 -9.553 1.00 16.31 C ATOM 1078 O MET A 114 5.080 7.577 -9.207 1.00 13.80 O ATOM 1079 CB MET A 114 4.294 5.342 -10.717 1.00 13.44 C ATOM 1080 CG MET A 114 4.099 4.006 -11.317 1.00 13.91 C ATOM 1081 SD MET A 114 2.417 3.704 -11.862 1.00 15.45 S ATOM 1082 CE MET A 114 2.380 4.756 -13.359 1.00 12.00 C ATOM 1083 H MET A 114 5.089 4.638 -8.247 1.00 0.00 H ATOM 1084 N GLU A 115 7.291 7.227 -9.510 1.00 18.61 N ATOM 1085 CA GLU A 115 7.760 8.419 -8.801 1.00 20.33 C ATOM 1086 C GLU A 115 7.198 9.735 -9.294 1.00 22.05 C ATOM 1087 O GLU A 115 6.944 10.613 -8.465 1.00 21.50 O ATOM 1088 CB GLU A 115 9.298 8.486 -8.774 1.00 23.03 C ATOM 1089 CG GLU A 115 9.869 9.280 -7.599 1.00 38.96 C ATOM 1090 CD GLU A 115 9.922 8.537 -6.274 1.00 65.63 C ATOM 1091 OE1 GLU A 115 11.027 8.078 -5.900 1.00 70.90 O ATOM 1092 OE2 GLU A 115 8.872 8.435 -5.596 1.00 51.60 O ATOM 1093 H GLU A 115 7.990 6.636 -10.003 1.00 0.00 H ATOM 1094 N HIS A 116 7.031 9.900 -10.608 1.00 19.04 N ATOM 1095 CA HIS A 116 6.485 11.156 -11.141 1.00 19.84 C ATOM 1096 C HIS A 116 5.011 11.302 -10.827 1.00 18.36 C ATOM 1097 O HIS A 116 4.551 12.402 -10.536 1.00 17.27 O ATOM 1098 CB HIS A 116 6.744 11.295 -12.658 1.00 21.10 C ATOM 1099 CG HIS A 116 8.187 11.187 -13.003 1.00 26.00 C ATOM 1100 ND1 HIS A 116 9.113 12.093 -12.517 1.00 28.24 N ATOM 1101 CD2 HIS A 116 8.830 10.242 -13.724 1.00 28.13 C ATOM 1102 CE1 HIS A 116 10.284 11.694 -12.994 1.00 28.60 C ATOM 1103 NE2 HIS A 116 10.163 10.567 -13.703 1.00 28.70 N ATOM 1104 H HIS A 116 7.290 9.133 -11.261 1.00 0.00 H ATOM 1105 N VAL A 117 4.242 10.208 -10.859 1.00 14.69 N ATOM 1106 CA VAL A 117 2.854 10.280 -10.448 1.00 13.54 C ATOM 1107 C VAL A 117 2.786 10.602 -8.945 1.00 15.45 C ATOM 1108 O VAL A 117 1.938 11.388 -8.547 1.00 15.98 O ATOM 1109 CB VAL A 117 2.087 8.987 -10.752 1.00 14.64 C ATOM 1110 CG1 VAL A 117 0.672 9.071 -10.198 1.00 14.35 C ATOM 1111 CG2 VAL A 117 2.059 8.708 -12.255 1.00 14.97 C ATOM 1112 H VAL A 117 4.641 9.303 -11.180 1.00 0.00 H ATOM 1113 N VAL A 118 3.647 9.981 -8.125 1.00 15.10 N ATOM 1114 CA VAL A 118 3.664 10.274 -6.688 1.00 14.86 C ATOM 1115 C VAL A 118 3.987 11.745 -6.459 1.00 17.62 C ATOM 1116 O VAL A 118 3.341 12.389 -5.637 1.00 17.23 O ATOM 1117 CB VAL A 118 4.684 9.369 -5.952 1.00 16.38 C ATOM 1118 CG1 VAL A 118 4.881 9.830 -4.499 1.00 16.27 C ATOM 1119 CG2 VAL A 118 4.251 7.911 -5.980 1.00 16.31 C ATOM 1120 H VAL A 118 4.312 9.282 -8.514 1.00 0.00 H ATOM 1121 N ASP A 119 4.989 12.280 -7.162 1.00 15.79 N ATOM 1122 CA ASP A 119 5.341 13.706 -6.991 1.00 18.03 C ATOM 1123 C ASP A 119 4.178 14.605 -7.453 1.00 20.73 C ATOM 1124 O ASP A 119 3.843 15.591 -6.795 1.00 20.61 O ATOM 1125 CB ASP A 119 6.650 14.022 -7.736 1.00 21.48 C ATOM 1126 CG ASP A 119 7.900 13.417 -7.104 1.00 45.69 C ATOM 1127 OD1 ASP A 119 7.876 13.134 -5.877 1.00 48.10 O ATOM 1128 OD2 ASP A 119 8.916 13.253 -7.829 1.00 56.71 O ATOM 1129 H ASP A 119 5.524 11.691 -7.832 1.00 0.00 H ATOM 1130 N THR A 120 3.524 14.243 -8.546 1.00 18.71 N ATOM 1131 CA THR A 120 2.362 14.983 -9.015 1.00 17.85 C ATOM 1132 C THR A 120 1.194 14.911 -8.034 1.00 20.44 C ATOM 1133 O THR A 120 0.529 15.925 -7.800 1.00 20.74 O ATOM 1134 CB THR A 120 1.979 14.534 -10.435 1.00 20.85 C ATOM 1135 OG1 THR A 120 3.074 14.898 -11.274 1.00 23.17 O ATOM 1136 CG2 THR A 120 0.675 15.172 -10.916 1.00 22.03 C ATOM 1137 HG1 THR A 120 3.894 14.438 -10.963 1.00 0.00 H ATOM 1138 H THR A 120 3.848 13.412 -9.081 1.00 0.00 H ATOM 1139 N ALA A 121 0.953 13.740 -7.419 1.00 17.78 N ATOM 1140 CA ALA A 121 -0.131 13.641 -6.443 1.00 17.36 C ATOM 1141 C ALA A 121 0.216 14.492 -5.209 1.00 19.88 C ATOM 1142 O ALA A 121 -0.695 15.094 -4.623 1.00 19.44 O ATOM 1143 CB ALA A 121 -0.379 12.194 -6.029 1.00 18.25 C ATOM 1144 H ALA A 121 1.536 12.907 -7.637 1.00 0.00 H ATOM 1145 N ARG A 122 1.515 14.592 -4.844 1.00 18.24 N ATOM 1146 CA ARG A 122 1.894 15.446 -3.705 1.00 18.57 C ATOM 1147 C ARG A 122 1.592 16.893 -4.052 1.00 24.70 C ATOM 1148 O ARG A 122 1.021 17.616 -3.233 1.00 25.19 O ATOM 1149 CB ARG A 122 3.391 15.345 -3.420 1.00 20.96 C ATOM 1150 CG ARG A 122 3.812 14.095 -2.675 1.00 24.58 C ATOM 1151 CD ARG A 122 5.315 14.066 -2.428 1.00 29.71 C ATOM 1152 NE ARG A 122 5.679 14.963 -1.325 1.00 40.98 N ATOM 1153 CZ ARG A 122 6.748 14.837 -0.541 1.00 53.45 C ATOM 1154 NH1 ARG A 122 7.600 13.828 -0.715 1.00 45.24 N ATOM 1155 NH2 ARG A 122 6.972 15.715 0.427 1.00 36.80 N ATOM 1156 HE ARG A 122 5.047 15.768 -1.139 1.00 0.00 H ATOM 1157 HH12 ARG A 122 8.432 13.738 -0.098 1.00 0.00 H ATOM 1158 HH11 ARG A 122 7.433 13.130 -1.468 1.00 0.00 H ATOM 1159 HH22 ARG A 122 7.808 15.614 1.038 1.00 0.00 H ATOM 1160 HH21 ARG A 122 6.312 16.505 0.576 1.00 0.00 H ATOM 1161 H ARG A 122 2.245 14.067 -5.367 1.00 0.00 H ATOM 1162 N LYS A 123 1.962 17.321 -5.266 1.00 21.10 N ATOM 1163 CA LYS A 123 1.686 18.693 -5.712 1.00 22.01 C ATOM 1164 C LYS A 123 0.180 18.954 -5.749 1.00 24.35 C ATOM 1165 O LYS A 123 -0.250 20.047 -5.364 1.00 26.05 O ATOM 1166 CB LYS A 123 2.337 18.991 -7.065 1.00 23.54 C ATOM 1167 CG LYS A 123 3.837 19.093 -6.983 1.00 27.63 C ATOM 1168 CD LYS A 123 4.472 18.999 -8.349 1.00 39.60 C ATOM 1169 CE LYS A 123 5.966 19.125 -8.256 1.00 45.92 C ATOM 1170 NZ LYS A 123 6.635 18.760 -9.534 1.00 55.52 N ATOM 1171 HZ1 LYS A 123 6.405 17.775 -9.775 1.00 0.00 H ATOM 1172 HZ2 LYS A 123 6.301 19.390 -10.291 1.00 0.00 H ATOM 1173 HZ3 LYS A 123 7.664 18.861 -9.426 1.00 0.00 H ATOM 1174 H LYS A 123 2.456 16.667 -5.907 1.00 0.00 H ATOM 1175 N PHE A 124 -0.632 17.957 -6.131 1.00 20.83 N ATOM 1176 CA PHE A 124 -2.097 18.059 -6.126 1.00 21.25 C ATOM 1177 C PHE A 124 -2.624 18.322 -4.719 1.00 28.25 C ATOM 1178 O PHE A 124 -3.522 19.157 -4.529 1.00 27.12 O ATOM 1179 CB PHE A 124 -2.751 16.773 -6.683 1.00 22.55 C ATOM 1180 CG PHE A 124 -4.253 16.838 -6.834 1.00 24.74 C ATOM 1181 CD1 PHE A 124 -5.089 16.429 -5.805 1.00 29.96 C ATOM 1182 CD2 PHE A 124 -4.832 17.224 -8.037 1.00 27.93 C ATOM 1183 CE1 PHE A 124 -6.473 16.476 -5.947 1.00 30.96 C ATOM 1184 CE2 PHE A 124 -6.217 17.241 -8.186 1.00 30.31 C ATOM 1185 CZ PHE A 124 -7.028 16.901 -7.132 1.00 29.98 C ATOM 1186 H PHE A 124 -0.201 17.065 -6.447 1.00 0.00 H ATOM 1187 N ILE A 125 -2.148 17.537 -3.751 1.00 23.78 N ATOM 1188 CA ILE A 125 -2.583 17.691 -2.356 1.00 24.08 C ATOM 1189 C ILE A 125 -2.218 19.091 -1.883 1.00 32.01 C ATOM 1190 O ILE A 125 -3.022 19.734 -1.206 1.00 32.83 O ATOM 1191 CB ILE A 125 -1.949 16.574 -1.475 1.00 25.31 C ATOM 1192 CG1 ILE A 125 -2.593 15.218 -1.777 1.00 26.10 C ATOM 1193 CG2 ILE A 125 -2.054 16.921 0.047 1.00 27.02 C ATOM 1194 CD1 ILE A 125 -1.786 14.027 -1.241 1.00 27.94 C ATOM 1195 H ILE A 125 -1.454 16.800 -3.989 1.00 0.00 H ATOM 1196 N LYS A 126 -1.036 19.578 -2.275 1.00 29.89 N ATOM 1197 CA LYS A 126 -0.552 20.901 -1.903 1.00 31.25 C ATOM 1198 C LYS A 126 -1.408 22.052 -2.471 1.00 38.78 C ATOM 1199 O LYS A 126 -1.645 23.045 -1.774 1.00 38.88 O ATOM 1200 CB LYS A 126 0.923 21.036 -2.323 1.00 33.93 C ATOM 1201 CG LYS A 126 1.640 22.259 -1.815 1.00 40.90 C ATOM 1202 CD LYS A 126 3.138 22.121 -2.049 1.00 46.50 C ATOM 1203 CE LYS A 126 3.901 23.406 -1.844 1.00 53.36 C ATOM 1204 NZ LYS A 126 3.877 23.856 -0.429 1.00 57.93 N ATOM 1205 HZ1 LYS A 126 2.893 24.015 -0.134 1.00 0.00 H ATOM 1206 HZ2 LYS A 126 4.308 23.125 0.173 1.00 0.00 H ATOM 1207 HZ3 LYS A 126 4.414 24.742 -0.339 1.00 0.00 H ATOM 1208 H LYS A 126 -0.431 18.982 -2.876 1.00 0.00 H ATOM 1209 N ALA A 127 -1.903 21.900 -3.710 1.00 35.75 N ATOM 1210 CA ALA A 127 -2.733 22.906 -4.382 1.00 35.46 C ATOM 1211 C ALA A 127 -4.249 22.726 -4.123 1.00 40.89 C ATOM 1212 O ALA A 127 -5.039 23.435 -4.750 1.00 41.88 O ATOM 1213 CB ALA A 127 -2.466 22.861 -5.881 1.00 36.08 C ATOM 1214 H ALA A 127 -1.686 21.021 -4.221 1.00 0.00 H ATOM 1215 N SER A 128 -4.659 21.795 -3.230 1.00 37.39 N ATOM 1216 CA SER A 128 -6.062 21.525 -2.911 1.00 57.03 C ATOM 1217 C SER A 128 -6.520 22.429 -1.765 1.00 83.38 C ATOM 1218 O SER A 128 -7.628 22.269 -1.253 1.00 42.91 O ATOM 1219 CB SER A 128 -6.242 20.059 -2.518 1.00 60.44 C ATOM 1220 OG SER A 128 -7.599 19.743 -2.258 1.00 70.56 O ATOM 1221 HG SER A 128 -7.672 18.788 -2.008 1.00 0.00 H ATOM 1222 H SER A 128 -3.932 21.236 -2.740 1.00 0.00 H TER 1223 SER A 128 HETATM 1224 O HOH 1 -9.616 -6.978 -18.592 1.00 35.23 O HETATM 1225 O HOH 2 -6.245 0.120 -24.333 1.00 23.64 O HETATM 1226 O HOH 3 -7.171 0.395 -18.849 1.00 33.88 O HETATM 1227 O HOH 4 -4.976 -7.437 3.169 1.00 28.77 O HETATM 1228 O HOH 5 6.180 -7.148 -23.302 1.00 28.26 O HETATM 1229 O HOH 6 -6.433 -0.933 3.628 1.00 21.70 O HETATM 1230 O HOH 7 -5.638 -3.570 -20.225 1.00 19.16 O HETATM 1231 O HOH 8 -7.951 -12.690 -7.605 1.00 38.20 O HETATM 1232 O HOH 9 -9.905 13.854 -0.825 1.00 43.49 O HETATM 1233 O HOH 10 11.610 2.329 -7.608 1.00 31.26 O HETATM 1234 O HOH 11 -5.201 -6.166 -23.709 1.00 24.88 O HETATM 1235 O HOH 12 -6.640 2.546 -27.705 1.00 26.55 O HETATM 1236 O HOH 13 25.763 19.444 -37.527 1.00 38.38 O HETATM 1237 O HOH 14 12.820 -17.336 -17.383 1.00 29.25 O HETATM 1238 O HOH 15 0.924 2.479 -1.005 1.00 29.85 O HETATM 1239 O HOH 16 -4.886 1.394 -3.804 1.00 39.07 O HETATM 1240 O HOH 17 9.375 5.519 -10.427 1.00 26.95 O HETATM 1241 O HOH 18 20.055 18.814 -37.015 1.00 30.85 O HETATM 1242 O HOH 19 -0.409 -13.647 -21.743 1.00 31.61 O HETATM 1243 O HOH 20 2.371 -6.956 -2.604 1.00 24.03 O HETATM 1244 O HOH 21 -5.587 20.364 -5.885 1.00 38.13 O HETATM 1245 O HOH 22 -10.378 -4.754 -29.603 1.00 28.25 O HETATM 1246 O HOH 23 19.015 8.449 -32.329 1.00 25.81 O HETATM 1247 O HOH 24 7.254 9.371 -35.959 1.00 22.25 O HETATM 1248 O HOH 25 8.154 5.854 -6.277 1.00 29.14 O HETATM 1249 O HOH 26 9.145 12.522 -29.152 1.00 17.09 O HETATM 1250 O HOH 27 -5.531 7.972 -15.917 1.00 17.67 O HETATM 1251 O HOH 28 7.014 4.405 -4.116 1.00 24.28 O HETATM 1252 O HOH 29 6.207 12.964 -27.918 1.00 22.61 O HETATM 1253 O HOH 30 14.755 4.049 -14.283 1.00 30.23 O HETATM 1254 O HOH 31 0.170 9.176 -26.588 1.00 16.09 O HETATM 1255 O HOH 32 -1.710 7.192 -25.906 1.00 15.56 O HETATM 1256 O HOH 33 -5.171 -9.455 -5.955 1.00 29.68 O HETATM 1257 O HOH 34 8.051 5.696 -12.878 1.00 23.52 O HETATM 1258 O HOH 35 -12.172 -11.417 -13.587 1.00 33.24 O HETATM 1259 O HOH 36 1.565 10.804 -24.801 1.00 22.30 O HETATM 1260 O HOH 37 10.769 -16.553 -15.846 1.00 22.21 O HETATM 1261 O HOH 38 8.082 6.176 -17.208 1.00 26.38 O HETATM 1262 O HOH 39 -6.334 -5.922 -4.993 1.00 29.97 O HETATM 1263 O HOH 40 5.373 5.950 -15.403 1.00 21.60 O HETATM 1264 O HOH 41 18.204 -10.196 -21.160 1.00 33.12 O HETATM 1265 O HOH 42 -7.536 -6.294 -20.141 1.00 21.93 O HETATM 1266 O HOH 43 10.479 -3.584 -5.715 1.00 32.76 O HETATM 1267 O HOH 44 -4.431 6.442 -26.290 1.00 27.46 O HETATM 1268 O HOH 45 -9.477 10.461 -2.203 1.00 25.90 O HETATM 1269 O HOH 46 -6.609 4.017 -22.475 1.00 27.04 O HETATM 1270 O HOH 47 -9.451 7.841 -2.836 1.00 22.87 O HETATM 1271 O HOH 48 7.388 14.911 -34.446 1.00 29.27 O HETATM 1272 O HOH 49 -11.797 -8.184 -15.177 1.00 31.70 O HETATM 1273 O HOH 50 8.952 17.916 -34.277 1.00 32.87 O HETATM 1274 O HOH 51 0.083 7.031 -33.463 1.00 27.10 O HETATM 1275 O HOH 52 -5.816 -13.048 -19.465 1.00 34.50 O HETATM 1276 O HOH 53 -0.789 -11.657 -29.518 1.00 20.10 O HETATM 1277 O HOH 54 6.181 11.723 -35.122 1.00 26.18 O HETATM 1278 O HOH 55 -1.890 -11.563 -26.753 1.00 38.25 O HETATM 1279 O HOH 56 19.109 -9.383 -17.783 1.00 26.41 O HETATM 1280 O HOH 57 10.241 -7.391 -6.639 1.00 39.40 O HETATM 1281 O HOH 58 -14.151 14.228 -7.239 1.00 38.34 O HETATM 1282 O HOH 59 -11.075 6.288 -4.694 1.00 28.04 O HETATM 1283 O HOH 60 5.637 7.902 -13.018 1.00 10.38 O HETATM 1284 O HOH 61 6.398 6.726 -2.430 1.00 25.90 O HETATM 1285 C1 C A 0 12.006 2.637 -11.356 1.00 -0.07 C HETATM 1286 C2 C A 0 11.054 3.048 -12.274 1.00 -0.06 C HETATM 1287 C3 C A 0 11.102 2.549 -13.565 1.00 0.06 C HETATM 1288 CL C A 0 9.999 3.190 -14.732 1.00 -0.08 CL HETATM 1289 C4 C A 0 12.127 1.710 -13.979 1.00 0.08 C HETATM 1290 C5 C A 0 13.022 1.237 -13.016 1.00 -0.04 C HETATM 1291 C C A 0 12.916 1.661 -11.699 1.00 -0.07 C HETATM 1292 H5 C A 0 13.551 1.223 -10.938 1.00 0.06 H HETATM 1293 H4 C A 0 13.801 0.537 -13.298 1.00 0.05 H HETATM 1294 N C A 0 12.173 1.276 -15.326 1.00 -0.24 N HETATM 1295 C6 C A 0 13.254 1.132 -16.142 1.00 0.21 C HETATM 1296 N3 C A 0 14.415 1.601 -15.650 1.00 -0.21 N HETATM 1297 C8 C A 0 15.487 1.290 -16.406 1.00 0.19 C HETATM 1298 N4 C A 0 16.682 1.682 -15.950 1.00 -0.30 N HETATM 1299 H7 C A 0 16.757 2.140 -15.031 1.00 0.19 H HETATM 1300 H8 C A 0 17.527 1.525 -16.518 1.00 0.19 H HETATM 1301 N2 C A 0 15.446 0.691 -17.624 1.00 -0.24 N HETATM 1302 C7 C A 0 14.216 0.318 -17.979 1.00 0.07 C HETATM 1303 N1 C A 0 13.061 0.589 -17.362 1.00 -0.24 N HETATM 1304 H3 C A 0 14.143 -0.280 -18.881 1.00 0.11 H HETATM 1305 H6 C A 0 11.264 1.036 -15.747 1.00 0.22 H HETATM 1306 H2 C A 0 10.281 3.751 -11.986 1.00 0.06 H HETATM 1307 H1 C A 0 12.035 3.083 -10.368 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1285 1286 1291 1307 CONECT 1286 1285 1287 1306 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 1290 1294 CONECT 1290 1289 1291 1293 CONECT 1291 1285 1290 1292 CONECT 1292 1291 CONECT 1293 1290 CONECT 1294 1289 1295 1305 CONECT 1295 1294 1296 1303 CONECT 1296 1295 1297 CONECT 1297 1296 1298 1301 CONECT 1298 1297 1299 1300 CONECT 1299 1298 CONECT 1300 1298 CONECT 1301 1297 1302 CONECT 1302 1301 1303 1304 CONECT 1303 1295 1302 CONECT 1304 1302 CONECT 1305 1294 CONECT 1306 1286 CONECT 1307 1285 MASTER 0 0 0 0 0 0 0 0 1306 1 27 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6ew6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3lbz
RCSB PDB
PDBbind
127aa, >3LBZ_1|Chains... at 96%
5h7h
RCSB PDB
PDBbind
141aa, >5H7H_1|Chain... at 100%
5mw2
RCSB PDB
PDBbind
126aa, >5MW2_1|Chain... at 96%
5mw6
RCSB PDB
PDBbind
126aa, >5MW6_1|Chains... at 96%
5mwd
RCSB PDB
PDBbind
126aa, >5MWD_1|Chain... at 96%
5n1x
RCSB PDB
PDBbind
118aa, >5N1X_3|Chain... at 96%
5n1z
RCSB PDB
PDBbind
123aa, >5N1Z_1|Chain... at 97%
5n20
RCSB PDB
PDBbind
123aa, >5N20_1|Chain... at 97%
5n21
RCSB PDB
PDBbind
122aa, >5N21_1|Chains... at 97%
5x4m
RCSB PDB
PDBbind
141aa, >5X4M_1|Chain... at 100%
5x4n
RCSB PDB
PDBbind
141aa, >5X4N_1|Chain... at 100%
5x4o
RCSB PDB
PDBbind
141aa, >5X4O_1|Chain... at 100%
5x4p
RCSB PDB
PDBbind
141aa, >5X4P_1|Chain... at 100%
5x4q
RCSB PDB
PDBbind
141aa, >5X4Q_1|Chain... at 100%
5x9o
RCSB PDB
PDBbind
141aa, >5X9O_1|Chain... at 100%
5x9p
RCSB PDB
PDBbind
141aa, >5X9P_1|Chain... at 100%
6ew7
RCSB PDB
PDBbind
122aa, >6EW7_1|Chains... at 97%
6cq1
RCSB PDB
PDBbind
131aa, >6CQ1_1|Chains... at 92%
6c3n
RCSB PDB
PDBbind
131aa, >6C3N_1|Chains... at 92%
6c3l
RCSB PDB
PDBbind
131aa, >6C3L_1|Chains... at 92%
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
6ew6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
C0H
EC.Number
E.C.-.-.-.-
Resolution
1.39(Å)
Affinity (Kd/Ki/IC50)
Kd=829uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Chem. Biol. Vol. 13: pp. 3131-3141
Ligand Properties
Formula
C
9
H
8
ClN
5
Molecular Weight
221.646
Exact Mass
221.047
No. of atoms
23
No. of bonds
24
Polar Surface Area
76.72
LOGP Value
2.13 (
Computed with XLOGP3
)
2.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
Nc1ncnc(n1)Nc1ccccc1Cl
InChI String
InChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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