Browse entries in the PDBbind-CN Database
HEADER 6GJ6_COMPLEX COMPND 6GJ6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA ASP GLY SEQRES 2 A 60 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 60 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 60 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU SEQRES 5 A 60 LEU ASP ILE LEU ASP THR ALA GLY SEQRES 1 A 103 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 2 A 103 PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 3 A 103 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 4 A 103 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 5 A 103 LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 6 A 103 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 7 A 103 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 8 A 103 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS HET MG A 1 1 HET EZZ A 307 44 ATOM 1 N MET A 1 4.216 36.472 24.150 1.00 54.91 N ATOM 2 CA MET A 1 3.677 36.438 22.792 1.00 51.73 C ATOM 3 C MET A 1 4.367 35.396 21.912 1.00 51.54 C ATOM 4 O MET A 1 5.562 35.123 22.084 1.00 50.69 O ATOM 5 CB MET A 1 3.699 37.831 22.128 1.00 52.04 C ATOM 6 CG MET A 1 5.095 38.365 21.842 1.00 53.99 C ATOM 7 SD MET A 1 5.100 39.846 20.817 1.00 54.94 S ATOM 8 CE MET A 1 4.496 41.057 21.987 1.00 53.53 C ATOM 9 HN3 MET A 1 5.229 36.704 24.114 1.00 0.00 H ATOM 10 HN2 MET A 1 4.088 35.541 24.596 1.00 0.00 H ATOM 11 HN1 MET A 1 3.713 37.195 24.703 1.00 0.00 H ATOM 12 N THR A 2 3.611 34.835 20.957 1.00 44.63 N ATOM 13 CA THR A 2 4.100 33.805 20.046 1.00 43.18 C ATOM 14 C THR A 2 5.153 34.356 19.088 1.00 43.52 C ATOM 15 O THR A 2 5.019 35.462 18.563 1.00 41.52 O ATOM 16 CB THR A 2 2.924 33.115 19.326 1.00 50.41 C ATOM 17 OG1 THR A 2 1.981 32.676 20.303 1.00 53.63 O ATOM 18 CG2 THR A 2 3.362 31.927 18.467 1.00 47.00 C ATOM 19 HG1 THR A 2 1.651 33.456 20.815 1.00 0.00 H ATOM 20 H THR A 2 2.625 35.150 20.861 1.00 0.00 H ATOM 21 N GLU A 3 6.208 33.581 18.887 1.00 40.04 N ATOM 22 CA GLU A 3 7.284 33.923 17.974 1.00 37.85 C ATOM 23 C GLU A 3 7.206 32.992 16.758 1.00 39.46 C ATOM 24 O GLU A 3 6.922 31.800 16.919 1.00 39.33 O ATOM 25 CB GLU A 3 8.623 33.758 18.687 1.00 40.74 C ATOM 26 CG GLU A 3 9.700 34.680 18.156 1.00 51.71 C ATOM 27 CD GLU A 3 10.957 34.640 19.000 1.00 71.86 C ATOM 28 OE1 GLU A 3 10.913 35.111 20.160 1.00 66.11 O ATOM 29 OE2 GLU A 3 11.977 34.102 18.511 1.00 61.84 O ATOM 30 H GLU A 3 6.269 32.683 19.409 1.00 0.00 H ATOM 31 N TYR A 4 7.439 33.538 15.547 1.00 33.44 N ATOM 32 CA TYR A 4 7.414 32.747 14.313 1.00 32.30 C ATOM 33 C TYR A 4 8.731 32.885 13.577 1.00 34.08 C ATOM 34 O TYR A 4 9.105 33.995 13.199 1.00 33.17 O ATOM 35 CB TYR A 4 6.245 33.160 13.397 1.00 32.20 C ATOM 36 CG TYR A 4 4.887 32.912 14.009 1.00 34.25 C ATOM 37 CD1 TYR A 4 4.300 31.650 13.967 1.00 37.48 C ATOM 38 CD2 TYR A 4 4.179 33.943 14.619 1.00 35.01 C ATOM 39 CE1 TYR A 4 3.043 31.418 14.525 1.00 39.59 C ATOM 40 CE2 TYR A 4 2.917 33.726 15.170 1.00 37.66 C ATOM 41 CZ TYR A 4 2.351 32.463 15.116 1.00 45.38 C ATOM 42 OH TYR A 4 1.121 32.246 15.684 1.00 48.91 O ATOM 43 HH TYR A 4 0.863 31.298 15.558 1.00 0.00 H ATOM 44 H TYR A 4 7.644 34.556 15.486 1.00 0.00 H ATOM 45 N LYS A 5 9.432 31.760 13.373 1.00 30.04 N ATOM 46 CA LYS A 5 10.712 31.740 12.663 1.00 28.77 C ATOM 47 C LYS A 5 10.464 31.459 11.187 1.00 30.09 C ATOM 48 O LYS A 5 10.106 30.338 10.817 1.00 29.78 O ATOM 49 CB LYS A 5 11.683 30.735 13.295 1.00 32.96 C ATOM 50 CG LYS A 5 12.436 31.354 14.462 1.00 43.46 C ATOM 51 CD LYS A 5 13.027 30.320 15.386 1.00 54.18 C ATOM 52 CE LYS A 5 13.703 30.960 16.578 1.00 63.13 C ATOM 53 NZ LYS A 5 12.721 31.578 17.511 1.00 72.33 N ATOM 54 HZ1 LYS A 5 12.183 32.313 17.009 1.00 0.00 H ATOM 55 HZ2 LYS A 5 12.069 30.847 17.860 1.00 0.00 H ATOM 56 HZ3 LYS A 5 13.228 32.005 18.313 1.00 0.00 H ATOM 57 H LYS A 5 9.050 30.863 13.735 1.00 0.00 H ATOM 58 N LEU A 6 10.597 32.509 10.356 1.00 25.09 N ATOM 59 CA LEU A 6 10.345 32.440 8.919 1.00 23.40 C ATOM 60 C LEU A 6 11.644 32.499 8.135 1.00 27.94 C ATOM 61 O LEU A 6 12.567 33.210 8.523 1.00 27.72 O ATOM 62 CB LEU A 6 9.422 33.594 8.476 1.00 21.91 C ATOM 63 CG LEU A 6 8.217 33.927 9.389 1.00 26.06 C ATOM 64 CD1 LEU A 6 7.428 35.091 8.838 1.00 25.44 C ATOM 65 CD2 LEU A 6 7.282 32.745 9.523 1.00 29.52 C ATOM 66 H LEU A 6 10.896 33.420 10.759 1.00 0.00 H ATOM 67 N VAL A 7 11.732 31.716 7.054 1.00 25.01 N ATOM 68 CA VAL A 7 12.932 31.681 6.215 1.00 24.30 C ATOM 69 C VAL A 7 12.532 32.095 4.793 1.00 28.03 C ATOM 70 O VAL A 7 11.570 31.555 4.239 1.00 27.49 O ATOM 71 CB VAL A 7 13.629 30.299 6.235 1.00 29.25 C ATOM 72 CG1 VAL A 7 14.917 30.318 5.427 1.00 29.33 C ATOM 73 CG2 VAL A 7 13.918 29.836 7.655 1.00 30.52 C ATOM 74 H VAL A 7 10.923 31.113 6.801 1.00 0.00 H ATOM 75 N VAL A 8 13.272 33.040 4.209 1.00 24.51 N ATOM 76 CA VAL A 8 13.015 33.510 2.835 1.00 22.92 C ATOM 77 C VAL A 8 14.073 32.837 1.949 1.00 26.63 C ATOM 78 O VAL A 8 15.267 33.079 2.141 1.00 26.36 O ATOM 79 CB VAL A 8 13.026 35.061 2.703 1.00 25.24 C ATOM 80 CG1 VAL A 8 12.636 35.495 1.285 1.00 24.50 C ATOM 81 CG2 VAL A 8 12.098 35.713 3.736 1.00 24.43 C ATOM 82 H VAL A 8 14.059 33.461 4.743 1.00 0.00 H ATOM 83 N VAL A 9 13.633 31.941 1.038 1.00 23.91 N ATOM 84 CA VAL A 9 14.528 31.189 0.132 1.00 23.66 C ATOM 85 C VAL A 9 14.232 31.486 -1.346 1.00 28.13 C ATOM 86 O VAL A 9 13.138 31.942 -1.684 1.00 26.16 O ATOM 87 CB VAL A 9 14.569 29.652 0.416 1.00 28.42 C ATOM 88 CG1 VAL A 9 15.056 29.355 1.835 1.00 28.11 C ATOM 89 CG2 VAL A 9 13.216 28.987 0.159 1.00 28.26 C ATOM 90 H VAL A 9 12.609 31.771 0.970 1.00 0.00 H ATOM 91 N GLY A 10 15.189 31.157 -2.215 1.00 26.98 N ATOM 92 CA GLY A 10 15.026 31.366 -3.647 1.00 27.98 C ATOM 93 C GLY A 10 16.316 31.739 -4.328 1.00 33.16 C ATOM 94 O GLY A 10 17.296 32.072 -3.659 1.00 32.13 O ATOM 95 H GLY A 10 16.074 30.741 -1.861 1.00 0.00 H ATOM 96 N ALA A 11 16.307 31.708 -5.673 1.00 31.78 N ATOM 97 CA ALA A 11 17.475 31.979 -6.518 1.00 32.86 C ATOM 98 C ALA A 11 18.049 33.370 -6.285 1.00 35.19 C ATOM 99 O ALA A 11 17.332 34.271 -5.846 1.00 30.76 O ATOM 100 CB ALA A 11 17.116 31.789 -7.984 1.00 34.68 C ATOM 101 H ALA A 11 15.410 31.476 -6.146 1.00 0.00 H ATOM 102 N ASP A 12 19.349 33.534 -6.572 1.00 33.18 N ATOM 103 CA ASP A 12 20.064 34.795 -6.411 1.00 33.75 C ATOM 104 C ASP A 12 19.463 35.882 -7.325 1.00 38.34 C ATOM 105 O ASP A 12 19.531 35.771 -8.552 1.00 40.64 O ATOM 106 CB ASP A 12 21.568 34.573 -6.710 1.00 37.23 C ATOM 107 CG ASP A 12 22.541 35.664 -6.265 1.00 47.12 C ATOM 108 OD1 ASP A 12 22.103 36.818 -6.077 1.00 43.35 O ATOM 109 OD2 ASP A 12 23.751 35.376 -6.176 1.00 57.06 O ATOM 110 H ASP A 12 19.878 32.714 -6.930 1.00 0.00 H ATOM 111 N GLY A 13 18.845 36.894 -6.715 1.00 32.34 N ATOM 112 CA GLY A 13 18.274 38.018 -7.449 1.00 31.31 C ATOM 113 C GLY A 13 16.768 38.077 -7.572 1.00 32.27 C ATOM 114 O GLY A 13 16.250 39.023 -8.163 1.00 32.92 O ATOM 115 H GLY A 13 18.767 36.882 -5.678 1.00 0.00 H ATOM 116 N VAL A 14 16.047 37.085 -7.034 1.00 26.29 N ATOM 117 CA VAL A 14 14.573 37.058 -7.098 1.00 24.47 C ATOM 118 C VAL A 14 13.915 38.201 -6.277 1.00 26.81 C ATOM 119 O VAL A 14 12.757 38.542 -6.536 1.00 26.45 O ATOM 120 CB VAL A 14 13.975 35.669 -6.738 1.00 26.61 C ATOM 121 CG1 VAL A 14 14.485 34.592 -7.692 1.00 27.41 C ATOM 122 CG2 VAL A 14 14.261 35.281 -5.285 1.00 24.80 C ATOM 123 H VAL A 14 16.543 36.307 -6.555 1.00 0.00 H ATOM 124 N GLY A 15 14.645 38.759 -5.304 1.00 23.10 N ATOM 125 CA GLY A 15 14.133 39.832 -4.458 1.00 22.17 C ATOM 126 C GLY A 15 13.884 39.429 -3.015 1.00 23.68 C ATOM 127 O GLY A 15 13.082 40.069 -2.334 1.00 20.97 O ATOM 128 H GLY A 15 15.613 38.415 -5.145 1.00 0.00 H ATOM 129 N LYS A 16 14.596 38.390 -2.513 1.00 20.69 N ATOM 130 CA LYS A 16 14.436 37.915 -1.122 1.00 18.94 C ATOM 131 C LYS A 16 14.655 39.046 -0.113 1.00 21.19 C ATOM 132 O LYS A 16 13.833 39.241 0.772 1.00 18.99 O ATOM 133 CB LYS A 16 15.400 36.742 -0.807 1.00 20.85 C ATOM 134 CG LYS A 16 15.173 35.483 -1.660 1.00 22.04 C ATOM 135 CD LYS A 16 16.209 34.371 -1.344 1.00 25.64 C ATOM 136 CE LYS A 16 17.642 34.734 -1.666 1.00 29.14 C ATOM 137 NZ LYS A 16 17.848 34.923 -3.115 1.00 31.98 N ATOM 138 HZ1 LYS A 16 17.614 34.042 -3.615 1.00 0.00 H ATOM 139 HZ2 LYS A 16 17.233 35.690 -3.454 1.00 0.00 H ATOM 140 HZ3 LYS A 16 18.842 35.170 -3.293 1.00 0.00 H ATOM 141 H LYS A 16 15.281 37.909 -3.130 1.00 0.00 H ATOM 142 N SER A 17 15.745 39.806 -0.272 1.00 20.75 N ATOM 143 CA SER A 17 16.097 40.932 0.622 1.00 20.05 C ATOM 144 C SER A 17 15.154 42.081 0.496 1.00 22.13 C ATOM 145 O SER A 17 14.723 42.622 1.514 1.00 19.42 O ATOM 146 CB SER A 17 17.516 41.414 0.345 1.00 23.59 C ATOM 147 OG SER A 17 18.440 40.405 0.702 1.00 24.56 O ATOM 148 HG SER A 17 19.360 40.722 0.520 1.00 0.00 H ATOM 149 H SER A 17 16.380 39.594 -1.068 1.00 0.00 H ATOM 150 N ALA A 18 14.821 42.472 -0.751 1.00 21.12 N ATOM 151 CA ALA A 18 13.884 43.566 -0.992 1.00 19.87 C ATOM 152 C ALA A 18 12.493 43.253 -0.387 1.00 21.00 C ATOM 153 O ALA A 18 11.881 44.134 0.211 1.00 20.39 O ATOM 154 CB ALA A 18 13.788 43.861 -2.479 1.00 21.53 C ATOM 155 H ALA A 18 15.244 41.980 -1.564 1.00 0.00 H ATOM 156 N LEU A 19 12.022 41.991 -0.477 1.00 18.32 N ATOM 157 CA LEU A 19 10.745 41.613 0.149 1.00 18.02 C ATOM 158 C LEU A 19 10.835 41.751 1.675 1.00 20.16 C ATOM 159 O LEU A 19 9.958 42.348 2.309 1.00 18.90 O ATOM 160 CB LEU A 19 10.385 40.163 -0.208 1.00 19.02 C ATOM 161 CG LEU A 19 9.750 39.952 -1.577 1.00 24.16 C ATOM 162 CD1 LEU A 19 9.721 38.478 -1.918 1.00 24.34 C ATOM 163 CD2 LEU A 19 8.340 40.577 -1.639 1.00 25.00 C ATOM 164 H LEU A 19 12.570 41.276 -0.996 1.00 0.00 H ATOM 165 N THR A 20 11.919 41.223 2.256 1.00 19.33 N ATOM 166 CA THR A 20 12.151 41.246 3.706 1.00 18.92 C ATOM 167 C THR A 20 12.232 42.680 4.222 1.00 20.80 C ATOM 168 O THR A 20 11.588 42.998 5.214 1.00 18.05 O ATOM 169 CB THR A 20 13.381 40.423 4.086 1.00 23.27 C ATOM 170 OG1 THR A 20 13.251 39.097 3.566 1.00 23.62 O ATOM 171 CG2 THR A 20 13.601 40.369 5.615 1.00 21.05 C ATOM 172 HG1 THR A 20 13.173 39.137 2.580 1.00 0.00 H ATOM 173 H THR A 20 12.634 40.773 1.649 1.00 0.00 H ATOM 174 N ILE A 21 13.019 43.522 3.549 1.00 20.08 N ATOM 175 CA ILE A 21 13.218 44.931 3.936 1.00 21.07 C ATOM 176 C ILE A 21 11.917 45.731 3.796 1.00 23.06 C ATOM 177 O ILE A 21 11.650 46.622 4.620 1.00 21.56 O ATOM 178 CB ILE A 21 14.434 45.575 3.191 1.00 25.15 C ATOM 179 CG1 ILE A 21 15.781 44.884 3.579 1.00 26.18 C ATOM 180 CG2 ILE A 21 14.505 47.100 3.423 1.00 27.16 C ATOM 181 CD1 ILE A 21 16.123 44.853 5.130 1.00 31.28 C ATOM 182 H ILE A 21 13.518 43.166 2.708 1.00 0.00 H ATOM 183 N GLN A 22 11.099 45.414 2.781 1.00 21.26 N ATOM 184 CA GLN A 22 9.805 46.067 2.637 1.00 21.05 C ATOM 185 C GLN A 22 8.937 45.697 3.824 1.00 23.43 C ATOM 186 O GLN A 22 8.258 46.561 4.375 1.00 21.69 O ATOM 187 CB GLN A 22 9.086 45.657 1.349 1.00 22.55 C ATOM 188 CG GLN A 22 9.375 46.598 0.192 1.00 25.83 C ATOM 189 CD GLN A 22 8.741 47.981 0.297 1.00 26.15 C ATOM 190 OE1 GLN A 22 8.295 48.441 1.354 1.00 23.48 O ATOM 191 NE2 GLN A 22 8.706 48.677 -0.812 1.00 26.30 N ATOM 192 HE22 GLN A 22 9.086 48.273 -1.692 1.00 0.00 H ATOM 193 HE21 GLN A 22 8.298 49.634 -0.813 1.00 0.00 H ATOM 194 H GLN A 22 11.392 44.694 2.090 1.00 0.00 H ATOM 195 N LEU A 23 8.981 44.415 4.240 1.00 19.63 N ATOM 196 CA LEU A 23 8.180 44.026 5.394 1.00 20.82 C ATOM 197 C LEU A 23 8.628 44.744 6.671 1.00 23.86 C ATOM 198 O LEU A 23 7.810 45.361 7.361 1.00 22.95 O ATOM 199 CB LEU A 23 8.200 42.507 5.605 1.00 21.45 C ATOM 200 CG LEU A 23 7.325 42.072 6.789 1.00 27.81 C ATOM 201 CD1 LEU A 23 5.875 41.810 6.370 1.00 27.76 C ATOM 202 CD2 LEU A 23 7.910 40.934 7.487 1.00 32.23 C ATOM 203 H LEU A 23 9.575 43.718 3.747 1.00 0.00 H ATOM 204 N ILE A 24 9.924 44.666 6.969 1.00 20.63 N ATOM 205 CA ILE A 24 10.510 45.189 8.202 1.00 21.34 C ATOM 206 C ILE A 24 10.577 46.721 8.247 1.00 25.14 C ATOM 207 O ILE A 24 10.206 47.324 9.258 1.00 24.80 O ATOM 208 CB ILE A 24 11.910 44.551 8.487 1.00 24.68 C ATOM 209 CG1 ILE A 24 11.859 42.992 8.524 1.00 25.14 C ATOM 210 CG2 ILE A 24 12.579 45.141 9.766 1.00 26.14 C ATOM 211 CD1 ILE A 24 11.094 42.322 9.726 1.00 30.53 C ATOM 212 H ILE A 24 10.557 44.206 6.284 1.00 0.00 H ATOM 213 N GLN A 25 11.096 47.338 7.184 1.00 20.89 N ATOM 214 CA GLN A 25 11.363 48.771 7.174 1.00 20.50 C ATOM 215 C GLN A 25 10.467 49.619 6.293 1.00 24.02 C ATOM 216 O GLN A 25 10.663 50.839 6.299 1.00 25.19 O ATOM 217 CB GLN A 25 12.838 48.996 6.779 1.00 21.88 C ATOM 218 CG GLN A 25 13.801 48.412 7.798 1.00 30.36 C ATOM 219 CD GLN A 25 15.202 48.888 7.574 1.00 45.42 C ATOM 220 OE1 GLN A 25 15.873 48.464 6.640 1.00 33.97 O ATOM 221 NE2 GLN A 25 15.677 49.774 8.443 1.00 42.34 N ATOM 222 HE22 GLN A 25 15.077 50.110 9.223 1.00 0.00 H ATOM 223 HE21 GLN A 25 16.649 50.131 8.343 1.00 0.00 H ATOM 224 H GLN A 25 11.317 46.779 6.335 1.00 0.00 H ATOM 225 N ASN A 26 9.493 49.018 5.541 1.00 19.93 N ATOM 226 CA ASN A 26 8.613 49.764 4.609 1.00 20.25 C ATOM 227 C ASN A 26 9.495 50.545 3.617 1.00 24.47 C ATOM 228 O ASN A 26 9.173 51.674 3.242 1.00 24.32 O ATOM 229 CB ASN A 26 7.649 50.714 5.364 1.00 21.12 C ATOM 230 CG ASN A 26 6.576 50.005 6.141 1.00 38.19 C ATOM 231 OD1 ASN A 26 5.506 49.719 5.619 1.00 26.51 O ATOM 232 ND2 ASN A 26 6.832 49.726 7.408 1.00 37.04 N ATOM 233 HD22 ASN A 26 7.751 49.982 7.821 1.00 0.00 H ATOM 234 HD21 ASN A 26 6.114 49.250 7.991 1.00 0.00 H ATOM 235 H ASN A 26 9.364 47.990 5.628 1.00 0.00 H ATOM 236 N HIS A 27 10.643 49.946 3.253 1.00 21.00 N ATOM 237 CA HIS A 27 11.625 50.559 2.367 1.00 21.69 C ATOM 238 C HIS A 27 11.918 49.674 1.179 1.00 24.47 C ATOM 239 O HIS A 27 12.093 48.463 1.337 1.00 22.73 O ATOM 240 CB HIS A 27 12.927 50.877 3.139 1.00 22.93 C ATOM 241 CG HIS A 27 14.048 51.412 2.296 1.00 27.02 C ATOM 242 ND1 HIS A 27 13.972 52.653 1.689 1.00 30.22 N ATOM 243 CD2 HIS A 27 15.264 50.877 2.040 1.00 28.45 C ATOM 244 CE1 HIS A 27 15.125 52.815 1.058 1.00 30.48 C ATOM 245 NE2 HIS A 27 15.931 51.775 1.242 1.00 29.55 N ATOM 246 H HIS A 27 10.841 48.995 3.623 1.00 0.00 H ATOM 247 N PHE A 28 11.997 50.285 -0.008 1.00 22.05 N ATOM 248 CA PHE A 28 12.377 49.555 -1.221 1.00 21.77 C ATOM 249 C PHE A 28 13.863 49.733 -1.433 1.00 27.00 C ATOM 250 O PHE A 28 14.340 50.865 -1.522 1.00 26.37 O ATOM 251 CB PHE A 28 11.608 50.018 -2.473 1.00 24.06 C ATOM 252 CG PHE A 28 12.114 49.368 -3.746 1.00 26.52 C ATOM 253 CD1 PHE A 28 12.177 47.978 -3.867 1.00 27.96 C ATOM 254 CD2 PHE A 28 12.560 50.145 -4.813 1.00 31.34 C ATOM 255 CE1 PHE A 28 12.656 47.380 -5.039 1.00 29.73 C ATOM 256 CE2 PHE A 28 13.044 49.544 -5.983 1.00 34.48 C ATOM 257 CZ PHE A 28 13.094 48.167 -6.084 1.00 30.87 C ATOM 258 H PHE A 28 11.784 51.301 -0.072 1.00 0.00 H ATOM 259 N VAL A 29 14.590 48.613 -1.521 1.00 25.92 N ATOM 260 CA VAL A 29 16.033 48.634 -1.769 1.00 28.37 C ATOM 261 C VAL A 29 16.240 48.476 -3.280 1.00 32.63 C ATOM 262 O VAL A 29 15.883 47.437 -3.846 1.00 31.50 O ATOM 263 CB VAL A 29 16.866 47.642 -0.880 1.00 33.56 C ATOM 264 CG1 VAL A 29 16.598 47.864 0.604 1.00 32.66 C ATOM 265 CG2 VAL A 29 16.618 46.188 -1.238 1.00 33.33 C ATOM 266 H VAL A 29 14.113 47.695 -1.409 1.00 0.00 H ATOM 267 N ASP A 30 16.706 49.542 -3.941 1.00 30.34 N ATOM 268 CA ASP A 30 16.926 49.557 -5.389 1.00 31.76 C ATOM 269 C ASP A 30 18.211 48.814 -5.766 1.00 36.13 C ATOM 270 O ASP A 30 18.286 48.199 -6.836 1.00 36.33 O ATOM 271 CB ASP A 30 16.987 51.010 -5.897 1.00 36.05 C ATOM 272 CG ASP A 30 17.191 51.128 -7.393 1.00 48.67 C ATOM 273 OD1 ASP A 30 16.328 50.622 -8.154 1.00 48.37 O ATOM 274 OD2 ASP A 30 18.216 51.711 -7.805 1.00 57.10 O ATOM 275 H ASP A 30 16.923 50.403 -3.399 1.00 0.00 H ATOM 276 N GLU A 31 19.234 48.925 -4.908 1.00 32.69 N ATOM 277 CA GLU A 31 20.532 48.288 -5.102 1.00 33.40 C ATOM 278 C GLU A 31 20.456 46.779 -4.888 1.00 33.31 C ATOM 279 O GLU A 31 19.541 46.278 -4.222 1.00 30.27 O ATOM 280 CB GLU A 31 21.629 48.942 -4.237 1.00 36.43 C ATOM 281 CG GLU A 31 21.304 49.065 -2.758 1.00 48.17 C ATOM 282 CD GLU A 31 20.667 50.387 -2.378 1.00 68.52 C ATOM 283 OE1 GLU A 31 19.417 50.457 -2.332 1.00 42.64 O ATOM 284 OE2 GLU A 31 21.420 51.363 -2.157 1.00 72.61 O ATOM 285 H GLU A 31 19.094 49.500 -4.052 1.00 0.00 H ATOM 286 N TYR A 32 21.414 46.065 -5.497 1.00 30.59 N ATOM 287 CA TYR A 32 21.522 44.614 -5.457 1.00 28.99 C ATOM 288 C TYR A 32 22.749 44.292 -4.596 1.00 32.13 C ATOM 289 O TYR A 32 23.867 44.207 -5.101 1.00 33.02 O ATOM 290 CB TYR A 32 21.652 44.094 -6.906 1.00 31.45 C ATOM 291 CG TYR A 32 21.515 42.604 -7.146 1.00 31.48 C ATOM 292 CD1 TYR A 32 21.943 41.677 -6.196 1.00 32.37 C ATOM 293 CD2 TYR A 32 21.052 42.120 -8.363 1.00 33.03 C ATOM 294 CE1 TYR A 32 21.889 40.304 -6.449 1.00 32.72 C ATOM 295 CE2 TYR A 32 21.037 40.756 -8.643 1.00 33.44 C ATOM 296 CZ TYR A 32 21.419 39.851 -7.670 1.00 38.34 C ATOM 297 OH TYR A 32 21.380 38.509 -7.954 1.00 37.34 O ATOM 298 HH TYR A 32 21.681 37.996 -7.162 1.00 0.00 H ATOM 299 H TYR A 32 22.133 46.587 -6.038 1.00 0.00 H ATOM 300 N ASP A 33 22.536 44.191 -3.273 1.00 28.94 N ATOM 301 CA ASP A 33 23.595 43.888 -2.314 1.00 30.25 C ATOM 302 C ASP A 33 23.447 42.431 -1.887 1.00 33.87 C ATOM 303 O ASP A 33 22.507 42.118 -1.149 1.00 31.61 O ATOM 304 CB ASP A 33 23.565 44.858 -1.114 1.00 32.39 C ATOM 305 CG ASP A 33 24.058 46.261 -1.428 1.00 49.57 C ATOM 306 OD1 ASP A 33 24.852 46.418 -2.391 1.00 53.94 O ATOM 307 OD2 ASP A 33 23.684 47.196 -0.695 1.00 56.36 O ATOM 308 H ASP A 33 21.570 44.336 -2.915 1.00 0.00 H ATOM 309 N PRO A 34 24.309 41.517 -2.403 1.00 32.55 N ATOM 310 CA PRO A 34 24.144 40.084 -2.088 1.00 31.92 C ATOM 311 C PRO A 34 24.189 39.728 -0.606 1.00 35.19 C ATOM 312 O PRO A 34 25.025 40.220 0.148 1.00 34.95 O ATOM 313 CB PRO A 34 25.263 39.400 -2.882 1.00 35.72 C ATOM 314 CG PRO A 34 26.206 40.475 -3.240 1.00 41.55 C ATOM 315 CD PRO A 34 25.431 41.733 -3.341 1.00 34.97 C ATOM 316 N THR A 35 23.265 38.864 -0.202 1.00 31.11 N ATOM 317 CA THR A 35 23.145 38.424 1.179 1.00 30.69 C ATOM 318 C THR A 35 24.050 37.225 1.456 1.00 36.19 C ATOM 319 O THR A 35 24.182 36.322 0.623 1.00 34.50 O ATOM 320 CB THR A 35 21.679 38.074 1.461 1.00 32.15 C ATOM 321 OG1 THR A 35 20.862 39.171 1.045 1.00 28.23 O ATOM 322 CG2 THR A 35 21.394 37.705 2.925 1.00 32.87 C ATOM 323 HG1 THR A 35 19.911 38.958 1.221 1.00 0.00 H ATOM 324 H THR A 35 22.598 38.485 -0.904 1.00 0.00 H ATOM 325 N ILE A 36 24.643 37.222 2.652 1.00 34.59 N ATOM 326 CA ILE A 36 25.382 36.091 3.183 1.00 36.37 C ATOM 327 C ILE A 36 24.312 35.470 4.089 1.00 37.64 C ATOM 328 O ILE A 36 23.837 34.368 3.829 1.00 35.56 O ATOM 329 CB ILE A 36 26.675 36.535 3.940 1.00 41.93 C ATOM 330 CG1 ILE A 36 27.794 36.937 2.947 1.00 44.55 C ATOM 331 CG2 ILE A 36 27.181 35.439 4.887 1.00 44.90 C ATOM 332 CD1 ILE A 36 27.928 38.438 2.696 1.00 54.02 C ATOM 333 H ILE A 36 24.571 38.079 3.237 1.00 0.00 H ATOM 334 N GLU A 37 23.855 36.251 5.083 1.00 35.10 N ATOM 335 CA GLU A 37 22.821 35.884 6.040 1.00 34.92 C ATOM 336 C GLU A 37 22.444 37.136 6.830 1.00 35.65 C ATOM 337 O GLU A 37 23.321 37.890 7.251 1.00 36.60 O ATOM 338 CB GLU A 37 23.347 34.773 6.975 1.00 38.75 C ATOM 339 CG GLU A 37 22.411 34.407 8.104 1.00 53.15 C ATOM 340 CD GLU A 37 22.602 35.134 9.424 1.00 73.15 C ATOM 341 OE1 GLU A 37 21.800 34.883 10.351 1.00 56.49 O ATOM 342 OE2 GLU A 37 23.567 35.921 9.550 1.00 72.79 O ATOM 343 H GLU A 37 24.276 37.198 5.176 1.00 0.00 H ATOM 344 N ASP A 38 21.148 37.351 7.036 1.00 29.16 N ATOM 345 CA ASP A 38 20.649 38.478 7.815 1.00 28.12 C ATOM 346 C ASP A 38 19.330 38.084 8.406 1.00 29.93 C ATOM 347 O ASP A 38 18.499 37.524 7.706 1.00 28.27 O ATOM 348 CB ASP A 38 20.455 39.739 6.942 1.00 29.10 C ATOM 349 CG ASP A 38 21.738 40.466 6.601 1.00 37.13 C ATOM 350 OD1 ASP A 38 22.377 41.017 7.528 1.00 38.98 O ATOM 351 OD2 ASP A 38 22.097 40.495 5.417 1.00 39.06 O ATOM 352 H ASP A 38 20.461 36.687 6.624 1.00 0.00 H ATOM 353 N SER A 39 19.135 38.348 9.690 1.00 25.71 N ATOM 354 CA SER A 39 17.849 38.052 10.315 1.00 23.59 C ATOM 355 C SER A 39 17.271 39.353 10.846 1.00 27.29 C ATOM 356 O SER A 39 18.025 40.267 11.196 1.00 26.80 O ATOM 357 CB SER A 39 17.998 37.030 11.435 1.00 26.63 C ATOM 358 OG SER A 39 18.724 37.589 12.516 1.00 30.21 O ATOM 359 HG SER A 39 19.623 37.860 12.203 1.00 0.00 H ATOM 360 H SER A 39 19.901 38.768 10.255 1.00 0.00 H ATOM 361 N TYR A 40 15.943 39.424 10.923 1.00 23.98 N ATOM 362 CA TYR A 40 15.219 40.616 11.367 1.00 24.96 C ATOM 363 C TYR A 40 14.057 40.241 12.262 1.00 30.51 C ATOM 364 O TYR A 40 13.440 39.197 12.060 1.00 30.42 O ATOM 365 CB TYR A 40 14.643 41.350 10.144 1.00 24.89 C ATOM 366 CG TYR A 40 15.674 41.758 9.121 1.00 26.48 C ATOM 367 CD1 TYR A 40 16.039 40.897 8.087 1.00 27.69 C ATOM 368 CD2 TYR A 40 16.290 43.002 9.184 1.00 28.86 C ATOM 369 CE1 TYR A 40 17.017 41.250 7.164 1.00 26.95 C ATOM 370 CE2 TYR A 40 17.258 43.375 8.254 1.00 30.58 C ATOM 371 CZ TYR A 40 17.616 42.494 7.245 1.00 34.56 C ATOM 372 OH TYR A 40 18.569 42.850 6.328 1.00 32.55 O ATOM 373 HH TYR A 40 18.700 42.109 5.685 1.00 0.00 H ATOM 374 H TYR A 40 15.390 38.586 10.653 1.00 0.00 H ATOM 375 N ARG A 41 13.730 41.124 13.214 1.00 29.63 N ATOM 376 CA ARG A 41 12.598 40.962 14.118 1.00 30.33 C ATOM 377 C ARG A 41 11.601 42.082 13.905 1.00 33.22 C ATOM 378 O ARG A 41 11.984 43.238 13.704 1.00 32.53 O ATOM 379 CB ARG A 41 13.047 40.975 15.587 1.00 34.52 C ATOM 380 CG ARG A 41 13.150 39.597 16.239 1.00 47.48 C ATOM 381 CD ARG A 41 14.339 38.792 15.761 1.00 50.38 C ATOM 382 NE ARG A 41 15.573 39.577 15.734 1.00 55.84 N ATOM 383 CZ ARG A 41 16.637 39.254 15.008 1.00 60.37 C ATOM 384 NH1 ARG A 41 16.627 38.163 14.254 1.00 33.85 N ATOM 385 NH2 ARG A 41 17.721 40.020 15.031 1.00 44.49 N ATOM 386 HE ARG A 41 15.620 40.437 16.317 1.00 0.00 H ATOM 387 HH12 ARG A 41 17.463 37.915 13.687 1.00 0.00 H ATOM 388 HH11 ARG A 41 15.783 37.556 14.229 1.00 0.00 H ATOM 389 HH22 ARG A 41 18.552 39.763 14.461 1.00 0.00 H ATOM 390 HH21 ARG A 41 17.740 40.877 15.619 1.00 0.00 H ATOM 391 H ARG A 41 14.318 41.976 13.314 1.00 0.00 H ATOM 392 N LYS A 42 10.323 41.740 13.974 1.00 28.44 N ATOM 393 CA LYS A 42 9.251 42.716 13.865 1.00 27.83 C ATOM 394 C LYS A 42 8.058 42.215 14.642 1.00 30.95 C ATOM 395 O LYS A 42 7.648 41.065 14.480 1.00 29.41 O ATOM 396 CB LYS A 42 8.850 42.983 12.396 1.00 28.24 C ATOM 397 CG LYS A 42 8.050 44.280 12.226 1.00 36.80 C ATOM 398 CD LYS A 42 7.449 44.417 10.834 1.00 38.53 C ATOM 399 CE LYS A 42 6.629 45.683 10.719 1.00 45.26 C ATOM 400 NZ LYS A 42 5.758 45.673 9.507 1.00 48.78 N ATOM 401 HZ1 LYS A 42 6.351 45.589 8.656 1.00 0.00 H ATOM 402 HZ2 LYS A 42 5.105 44.865 9.557 1.00 0.00 H ATOM 403 HZ3 LYS A 42 5.213 46.558 9.466 1.00 0.00 H ATOM 404 H LYS A 42 10.078 40.739 14.111 1.00 0.00 H ATOM 405 N GLN A 43 7.506 43.087 15.487 1.00 28.18 N ATOM 406 CA GLN A 43 6.285 42.802 16.212 1.00 29.51 C ATOM 407 C GLN A 43 5.152 43.261 15.295 1.00 33.08 C ATOM 408 O GLN A 43 5.185 44.381 14.774 1.00 33.34 O ATOM 409 CB GLN A 43 6.256 43.545 17.540 1.00 32.66 C ATOM 410 CG GLN A 43 5.049 43.209 18.378 1.00 43.31 C ATOM 411 CD GLN A 43 5.135 43.940 19.679 1.00 50.99 C ATOM 412 OE1 GLN A 43 6.025 43.690 20.488 1.00 40.67 O ATOM 413 NE2 GLN A 43 4.264 44.917 19.865 1.00 47.81 N ATOM 414 HE22 GLN A 43 3.525 45.097 19.156 1.00 0.00 H ATOM 415 HE21 GLN A 43 4.318 45.506 20.721 1.00 0.00 H ATOM 416 H GLN A 43 7.970 44.007 15.631 1.00 0.00 H ATOM 417 N VAL A 44 4.199 42.372 15.045 1.00 29.58 N ATOM 418 CA VAL A 44 3.060 42.634 14.153 1.00 29.60 C ATOM 419 C VAL A 44 1.766 42.138 14.794 1.00 34.40 C ATOM 420 O VAL A 44 1.806 41.290 15.682 1.00 35.55 O ATOM 421 CB VAL A 44 3.244 41.991 12.742 1.00 32.18 C ATOM 422 CG1 VAL A 44 4.410 42.604 11.971 1.00 31.11 C ATOM 423 CG2 VAL A 44 3.383 40.473 12.831 1.00 32.06 C ATOM 424 H VAL A 44 4.261 41.441 15.504 1.00 0.00 H ATOM 425 N VAL A 45 0.619 42.615 14.295 1.00 31.03 N ATOM 426 CA VAL A 45 -0.682 42.142 14.766 1.00 32.56 C ATOM 427 C VAL A 45 -1.304 41.376 13.588 1.00 36.95 C ATOM 428 O VAL A 45 -1.526 41.970 12.529 1.00 37.02 O ATOM 429 CB VAL A 45 -1.611 43.280 15.285 1.00 37.37 C ATOM 430 CG1 VAL A 45 -2.900 42.708 15.876 1.00 38.84 C ATOM 431 CG2 VAL A 45 -0.901 44.157 16.313 1.00 38.15 C ATOM 432 H VAL A 45 0.654 43.342 13.552 1.00 0.00 H ATOM 433 N ILE A 46 -1.502 40.056 13.748 1.00 33.43 N ATOM 434 CA ILE A 46 -2.110 39.199 12.722 1.00 33.28 C ATOM 435 C ILE A 46 -3.321 38.521 13.350 1.00 40.53 C ATOM 436 O ILE A 46 -3.185 37.840 14.368 1.00 41.97 O ATOM 437 CB ILE A 46 -1.125 38.173 12.076 1.00 34.38 C ATOM 438 CG1 ILE A 46 0.126 38.857 11.488 1.00 31.89 C ATOM 439 CG2 ILE A 46 -1.837 37.304 11.017 1.00 35.48 C ATOM 440 CD1 ILE A 46 1.315 37.875 11.209 1.00 33.80 C ATOM 441 H ILE A 46 -1.209 39.619 14.645 1.00 0.00 H ATOM 442 N ASP A 47 -4.508 38.733 12.755 1.00 38.85 N ATOM 443 CA ASP A 47 -5.796 38.199 13.212 1.00 40.65 C ATOM 444 C ASP A 47 -6.078 38.564 14.682 1.00 47.08 C ATOM 445 O ASP A 47 -6.579 37.742 15.455 1.00 48.83 O ATOM 446 CB ASP A 47 -5.909 36.680 12.934 1.00 42.79 C ATOM 447 CG ASP A 47 -5.794 36.309 11.464 1.00 45.26 C ATOM 448 OD1 ASP A 47 -6.168 37.139 10.614 1.00 43.51 O ATOM 449 OD2 ASP A 47 -5.370 35.173 11.171 1.00 49.87 O ATOM 450 H ASP A 47 -4.514 39.325 11.900 1.00 0.00 H ATOM 451 N GLY A 48 -5.712 39.798 15.041 1.00 43.86 N ATOM 452 CA GLY A 48 -5.873 40.345 16.385 1.00 45.42 C ATOM 453 C GLY A 48 -4.835 39.875 17.385 1.00 50.15 C ATOM 454 O GLY A 48 -4.863 40.304 18.540 1.00 51.21 O ATOM 455 H GLY A 48 -5.285 40.409 14.316 1.00 0.00 H ATOM 456 N GLU A 49 -3.914 38.988 16.956 1.00 45.99 N ATOM 457 CA GLU A 49 -2.865 38.442 17.813 1.00 46.01 C ATOM 458 C GLU A 49 -1.553 39.169 17.568 1.00 45.46 C ATOM 459 O GLU A 49 -1.056 39.187 16.437 1.00 42.46 O ATOM 460 CB GLU A 49 -2.699 36.921 17.594 1.00 47.85 C ATOM 461 CG GLU A 49 -1.771 36.252 18.598 1.00 61.36 C ATOM 462 CD GLU A 49 -1.181 34.921 18.168 1.00 84.42 C ATOM 463 OE1 GLU A 49 -0.307 34.917 17.270 1.00 68.77 O ATOM 464 OE2 GLU A 49 -1.562 33.885 18.760 1.00 83.47 O ATOM 465 H GLU A 49 -3.953 38.677 15.964 1.00 0.00 H ATOM 466 N THR A 50 -1.002 39.776 18.631 1.00 41.72 N ATOM 467 CA THR A 50 0.293 40.447 18.576 1.00 39.24 C ATOM 468 C THR A 50 1.321 39.322 18.626 1.00 41.66 C ATOM 469 O THR A 50 1.263 38.467 19.515 1.00 43.17 O ATOM 470 CB THR A 50 0.443 41.474 19.730 1.00 50.35 C ATOM 471 OG1 THR A 50 -0.602 42.447 19.645 1.00 51.11 O ATOM 472 CG2 THR A 50 1.782 42.199 19.697 1.00 46.80 C ATOM 473 HG1 THR A 50 -1.479 41.994 19.718 1.00 0.00 H ATOM 474 H THR A 50 -1.520 39.768 19.533 1.00 0.00 H ATOM 475 N CYS A 51 2.231 39.292 17.657 1.00 36.13 N ATOM 476 CA CYS A 51 3.236 38.237 17.609 1.00 35.83 C ATOM 477 C CYS A 51 4.571 38.760 17.126 1.00 37.47 C ATOM 478 O CYS A 51 4.647 39.853 16.554 1.00 35.18 O ATOM 479 CB CYS A 51 2.744 37.073 16.753 1.00 36.42 C ATOM 480 SG CYS A 51 2.525 37.494 15.006 1.00 38.24 S ATOM 481 H CYS A 51 2.226 40.030 16.924 1.00 0.00 H ATOM 482 N LEU A 52 5.627 37.976 17.348 1.00 35.25 N ATOM 483 CA LEU A 52 6.964 38.363 16.927 1.00 33.93 C ATOM 484 C LEU A 52 7.420 37.584 15.700 1.00 33.93 C ATOM 485 O LEU A 52 7.467 36.354 15.706 1.00 34.48 O ATOM 486 CB LEU A 52 7.970 38.214 18.095 1.00 36.08 C ATOM 487 CG LEU A 52 9.427 38.641 17.832 1.00 41.51 C ATOM 488 CD1 LEU A 52 9.538 40.144 17.526 1.00 41.72 C ATOM 489 CD2 LEU A 52 10.320 38.289 19.022 1.00 47.50 C ATOM 490 H LEU A 52 5.491 37.066 17.834 1.00 0.00 H ATOM 491 N LEU A 53 7.780 38.307 14.656 1.00 27.42 N ATOM 492 CA LEU A 53 8.316 37.660 13.474 1.00 26.37 C ATOM 493 C LEU A 53 9.823 37.703 13.570 1.00 30.58 C ATOM 494 O LEU A 53 10.389 38.755 13.871 1.00 31.40 O ATOM 495 CB LEU A 53 7.848 38.337 12.182 1.00 24.85 C ATOM 496 CG LEU A 53 6.332 38.460 11.939 1.00 28.70 C ATOM 497 CD1 LEU A 53 6.063 38.904 10.517 1.00 28.08 C ATOM 498 CD2 LEU A 53 5.591 37.144 12.238 1.00 31.40 C ATOM 499 H LEU A 53 7.679 39.342 14.681 1.00 0.00 H ATOM 500 N ASP A 54 10.463 36.550 13.384 1.00 26.06 N ATOM 501 CA ASP A 54 11.915 36.425 13.357 1.00 25.18 C ATOM 502 C ASP A 54 12.215 35.853 11.974 1.00 27.23 C ATOM 503 O ASP A 54 12.049 34.660 11.742 1.00 27.90 O ATOM 504 CB ASP A 54 12.434 35.524 14.482 1.00 27.37 C ATOM 505 CG ASP A 54 13.941 35.504 14.608 1.00 31.96 C ATOM 506 OD1 ASP A 54 14.627 36.033 13.695 1.00 29.37 O ATOM 507 OD2 ASP A 54 14.442 34.964 15.617 1.00 32.47 O ATOM 508 H ASP A 54 9.894 35.690 13.250 1.00 0.00 H ATOM 509 N ILE A 55 12.613 36.723 11.061 1.00 22.04 N ATOM 510 CA ILE A 55 12.807 36.382 9.659 1.00 22.10 C ATOM 511 C ILE A 55 14.251 36.255 9.257 1.00 24.20 C ATOM 512 O ILE A 55 15.035 37.185 9.447 1.00 23.29 O ATOM 513 CB ILE A 55 12.048 37.396 8.755 1.00 24.80 C ATOM 514 CG1 ILE A 55 10.545 37.408 9.118 1.00 26.19 C ATOM 515 CG2 ILE A 55 12.250 37.075 7.268 1.00 23.25 C ATOM 516 CD1 ILE A 55 9.919 38.686 8.957 1.00 35.31 C ATOM 517 H ILE A 55 12.797 37.702 11.360 1.00 0.00 H ATOM 518 N LEU A 56 14.585 35.115 8.652 1.00 21.67 N ATOM 519 CA LEU A 56 15.919 34.884 8.134 1.00 21.92 C ATOM 520 C LEU A 56 15.928 35.056 6.620 1.00 25.94 C ATOM 521 O LEU A 56 15.220 34.354 5.883 1.00 24.87 O ATOM 522 CB LEU A 56 16.458 33.498 8.514 1.00 23.05 C ATOM 523 CG LEU A 56 17.884 33.216 8.056 1.00 27.55 C ATOM 524 CD1 LEU A 56 18.889 34.085 8.802 1.00 27.60 C ATOM 525 CD2 LEU A 56 18.212 31.770 8.244 1.00 29.07 C ATOM 526 H LEU A 56 13.867 34.369 8.549 1.00 0.00 H ATOM 527 N ASP A 57 16.758 35.989 6.177 1.00 23.35 N ATOM 528 CA ASP A 57 16.987 36.314 4.776 1.00 23.15 C ATOM 529 C ASP A 57 18.275 35.576 4.377 1.00 28.50 C ATOM 530 O ASP A 57 19.330 35.781 4.981 1.00 29.15 O ATOM 531 CB ASP A 57 17.119 37.831 4.623 1.00 24.63 C ATOM 532 CG ASP A 57 17.306 38.294 3.197 1.00 28.02 C ATOM 533 OD1 ASP A 57 16.905 37.562 2.282 1.00 26.58 O ATOM 534 OD2 ASP A 57 17.835 39.392 3.008 1.00 28.78 O ATOM 535 H ASP A 57 17.289 36.533 6.887 1.00 0.00 H ATOM 536 N THR A 58 18.156 34.645 3.423 1.00 26.62 N ATOM 537 CA THR A 58 19.241 33.728 3.062 1.00 27.44 C ATOM 538 C THR A 58 20.009 34.102 1.794 1.00 33.66 C ATOM 539 O THR A 58 19.625 35.027 1.085 1.00 33.06 O ATOM 540 CB THR A 58 18.661 32.305 2.962 1.00 29.35 C ATOM 541 OG1 THR A 58 17.787 32.226 1.834 1.00 29.37 O ATOM 542 CG2 THR A 58 17.909 31.896 4.215 1.00 27.83 C ATOM 543 HG1 THR A 58 17.049 32.877 1.943 1.00 0.00 H ATOM 544 H THR A 58 17.252 34.569 2.914 1.00 0.00 H ATOM 545 N ALA A 59 21.085 33.346 1.489 1.00 31.96 N ATOM 546 CA ALA A 59 21.864 33.546 0.272 1.00 33.41 C ATOM 547 C ALA A 59 21.150 32.776 -0.839 1.00 40.05 C ATOM 548 O ALA A 59 20.641 31.674 -0.593 1.00 41.31 O ATOM 549 CB ALA A 59 23.282 33.004 0.459 1.00 36.14 C ATOM 550 H ALA A 59 21.369 32.592 2.147 1.00 0.00 H ATOM 551 N GLY A 60 21.112 33.361 -2.037 1.00 37.56 N ATOM 552 CA GLY A 60 20.497 32.760 -3.216 1.00 66.87 C ATOM 553 C GLY A 60 21.196 31.506 -3.698 1.00 96.72 C ATOM 554 O GLY A 60 20.750 30.396 -3.405 1.00 62.49 O ATOM 555 H GLY A 60 21.546 34.301 -2.137 1.00 0.00 H TER 556 GLY A 60 ATOM 557 N SER A 65 25.643 22.641 2.646 1.00 65.61 N ATOM 558 CA SER A 65 26.131 23.442 3.762 1.00 64.54 C ATOM 559 C SER A 65 25.447 23.083 5.081 1.00 66.42 C ATOM 560 O SER A 65 24.228 22.892 5.123 1.00 64.43 O ATOM 561 CB SER A 65 25.965 24.933 3.473 1.00 66.40 C ATOM 562 OG SER A 65 27.219 25.556 3.246 1.00 77.34 O ATOM 563 HG SER A 65 27.788 25.452 4.049 1.00 0.00 H ATOM 564 HN3 SER A 65 24.621 22.796 2.531 1.00 0.00 H ATOM 565 HN2 SER A 65 25.823 21.635 2.838 1.00 0.00 H ATOM 566 HN1 SER A 65 26.138 22.923 1.776 1.00 0.00 H ATOM 567 N ALA A 66 26.247 23.018 6.162 1.00 63.27 N ATOM 568 CA ALA A 66 25.797 22.730 7.526 1.00 62.77 C ATOM 569 C ALA A 66 24.923 23.872 8.063 1.00 61.58 C ATOM 570 O ALA A 66 23.994 23.624 8.837 1.00 59.96 O ATOM 571 CB ALA A 66 27.001 22.521 8.435 1.00 65.88 C ATOM 572 H ALA A 66 27.263 23.185 6.017 1.00 0.00 H ATOM 573 N MET A 67 25.222 25.118 7.633 1.00 55.75 N ATOM 574 CA MET A 67 24.495 26.333 8.005 1.00 52.62 C ATOM 575 C MET A 67 23.059 26.286 7.460 1.00 50.76 C ATOM 576 O MET A 67 22.120 26.636 8.183 1.00 47.55 O ATOM 577 CB MET A 67 25.248 27.572 7.498 1.00 54.80 C ATOM 578 CG MET A 67 24.851 28.868 8.196 1.00 57.99 C ATOM 579 SD MET A 67 25.112 28.925 9.994 1.00 64.57 S ATOM 580 CE MET A 67 26.886 28.956 10.075 1.00 63.75 C ATOM 581 H MET A 67 26.031 25.222 6.988 1.00 0.00 H ATOM 582 N ARG A 68 22.905 25.823 6.193 1.00 45.73 N ATOM 583 CA ARG A 68 21.634 25.629 5.501 1.00 43.93 C ATOM 584 C ARG A 68 20.781 24.582 6.238 1.00 47.62 C ATOM 585 O ARG A 68 19.601 24.834 6.480 1.00 46.26 O ATOM 586 CB ARG A 68 21.879 25.222 4.038 1.00 45.01 C ATOM 587 CG ARG A 68 20.622 25.215 3.161 1.00 53.11 C ATOM 588 CD ARG A 68 20.959 25.120 1.684 1.00 65.85 C ATOM 589 NE ARG A 68 21.431 26.402 1.150 1.00 73.27 N ATOM 590 CZ ARG A 68 20.895 27.036 0.107 1.00 81.32 C ATOM 591 NH1 ARG A 68 19.858 26.512 -0.538 1.00 45.15 N ATOM 592 NH2 ARG A 68 21.391 28.199 -0.296 1.00 77.10 N ATOM 593 HE ARG A 68 22.244 26.849 1.620 1.00 0.00 H ATOM 594 HH12 ARG A 68 19.445 27.012 -1.351 1.00 0.00 H ATOM 595 HH11 ARG A 68 19.460 25.602 -0.230 1.00 0.00 H ATOM 596 HH22 ARG A 68 20.970 28.690 -1.110 1.00 0.00 H ATOM 597 HH21 ARG A 68 22.201 28.620 0.202 1.00 0.00 H ATOM 598 H ARG A 68 23.771 25.585 5.668 1.00 0.00 H ATOM 599 N ASP A 69 21.387 23.440 6.625 1.00 46.14 N ATOM 600 CA ASP A 69 20.716 22.366 7.367 1.00 47.18 C ATOM 601 C ASP A 69 20.160 22.895 8.693 1.00 47.24 C ATOM 602 O ASP A 69 18.987 22.669 8.992 1.00 46.34 O ATOM 603 CB ASP A 69 21.658 21.166 7.596 1.00 52.73 C ATOM 604 CG ASP A 69 22.042 20.400 6.338 1.00 67.62 C ATOM 605 OD1 ASP A 69 21.224 20.363 5.387 1.00 67.29 O ATOM 606 OD2 ASP A 69 23.145 19.806 6.317 1.00 77.25 O ATOM 607 H ASP A 69 22.390 23.313 6.383 1.00 0.00 H ATOM 608 N GLN A 70 20.977 23.674 9.425 1.00 41.37 N ATOM 609 CA GLN A 70 20.606 24.279 10.702 1.00 39.74 C ATOM 610 C GLN A 70 19.415 25.255 10.584 1.00 38.20 C ATOM 611 O GLN A 70 18.460 25.115 11.349 1.00 37.05 O ATOM 612 CB GLN A 70 21.821 24.934 11.385 1.00 41.32 C ATOM 613 CG GLN A 70 21.537 25.429 12.810 1.00 51.00 C ATOM 614 CD GLN A 70 22.760 25.942 13.530 1.00 66.43 C ATOM 615 OE1 GLN A 70 23.454 26.859 13.074 1.00 62.01 O ATOM 616 NE2 GLN A 70 23.023 25.389 14.699 1.00 59.92 N ATOM 617 HE22 GLN A 70 22.422 24.620 15.057 1.00 0.00 H ATOM 618 HE21 GLN A 70 23.831 25.723 15.262 1.00 0.00 H ATOM 619 H GLN A 70 21.933 23.857 9.059 1.00 0.00 H ATOM 620 N TYR A 71 19.442 26.212 9.636 1.00 32.56 N ATOM 621 CA TYR A 71 18.307 27.131 9.547 1.00 31.30 C ATOM 622 C TYR A 71 17.046 26.459 8.997 1.00 35.21 C ATOM 623 O TYR A 71 15.945 26.859 9.366 1.00 32.82 O ATOM 624 CB TYR A 71 18.624 28.453 8.819 1.00 31.12 C ATOM 625 CG TYR A 71 18.891 28.442 7.321 1.00 32.11 C ATOM 626 CD1 TYR A 71 17.873 28.155 6.412 1.00 32.70 C ATOM 627 CD2 TYR A 71 20.096 28.922 6.810 1.00 33.92 C ATOM 628 CE1 TYR A 71 18.082 28.245 5.034 1.00 32.29 C ATOM 629 CE2 TYR A 71 20.311 29.027 5.434 1.00 34.62 C ATOM 630 CZ TYR A 71 19.305 28.680 4.550 1.00 39.97 C ATOM 631 OH TYR A 71 19.524 28.790 3.199 1.00 41.34 O ATOM 632 HH TYR A 71 18.712 28.505 2.710 1.00 0.00 H ATOM 633 H TYR A 71 20.248 26.295 8.985 1.00 0.00 H ATOM 634 N MET A 72 17.199 25.420 8.161 1.00 33.60 N ATOM 635 CA MET A 72 16.035 24.704 7.631 1.00 33.69 C ATOM 636 C MET A 72 15.381 23.887 8.740 1.00 39.15 C ATOM 637 O MET A 72 14.157 23.816 8.773 1.00 39.25 O ATOM 638 CB MET A 72 16.392 23.856 6.403 1.00 36.61 C ATOM 639 CG MET A 72 16.568 24.700 5.153 1.00 38.01 C ATOM 640 SD MET A 72 16.964 23.730 3.680 1.00 42.55 S ATOM 641 CE MET A 72 16.927 25.048 2.431 1.00 37.34 C ATOM 642 H MET A 72 18.156 25.119 7.886 1.00 0.00 H ATOM 643 N ARG A 73 16.193 23.357 9.696 1.00 36.75 N ATOM 644 CA ARG A 73 15.720 22.619 10.872 1.00 37.26 C ATOM 645 C ARG A 73 14.987 23.604 11.805 1.00 39.25 C ATOM 646 O ARG A 73 13.877 23.310 12.241 1.00 40.03 O ATOM 647 CB ARG A 73 16.903 21.944 11.598 1.00 38.46 C ATOM 648 CG ARG A 73 16.498 20.947 12.675 1.00 44.55 C ATOM 649 CD ARG A 73 17.659 20.036 13.071 1.00 50.59 C ATOM 650 NE ARG A 73 17.866 18.990 12.067 1.00 63.66 N ATOM 651 CZ ARG A 73 18.844 18.985 11.163 1.00 77.18 C ATOM 652 NH1 ARG A 73 19.756 19.954 11.154 1.00 55.70 N ATOM 653 NH2 ARG A 73 18.933 17.998 10.280 1.00 64.70 N ATOM 654 HE ARG A 73 17.200 18.192 12.059 1.00 0.00 H ATOM 655 HH12 ARG A 73 20.517 19.945 10.446 1.00 0.00 H ATOM 656 HH11 ARG A 73 19.707 20.720 11.855 1.00 0.00 H ATOM 657 HH22 ARG A 73 19.698 17.998 9.576 1.00 0.00 H ATOM 658 HH21 ARG A 73 18.238 17.225 10.292 1.00 0.00 H ATOM 659 H ARG A 73 17.219 23.484 9.585 1.00 0.00 H ATOM 660 N THR A 74 15.586 24.784 12.055 1.00 33.80 N ATOM 661 CA THR A 74 15.037 25.856 12.908 1.00 33.31 C ATOM 662 C THR A 74 13.753 26.510 12.343 1.00 35.52 C ATOM 663 O THR A 74 12.800 26.717 13.095 1.00 35.24 O ATOM 664 CB THR A 74 16.133 26.903 13.195 1.00 39.58 C ATOM 665 OG1 THR A 74 17.240 26.235 13.795 1.00 39.55 O ATOM 666 CG2 THR A 74 15.663 28.033 14.125 1.00 35.90 C ATOM 667 HG1 THR A 74 17.583 25.544 13.174 1.00 0.00 H ATOM 668 H THR A 74 16.511 24.954 11.611 1.00 0.00 H ATOM 669 N GLY A 75 13.770 26.858 11.055 1.00 30.39 N ATOM 670 CA GLY A 75 12.675 27.519 10.341 1.00 29.11 C ATOM 671 C GLY A 75 11.345 26.811 10.485 1.00 33.41 C ATOM 672 O GLY A 75 11.266 25.597 10.283 1.00 33.95 O ATOM 673 H GLY A 75 14.631 26.642 10.514 1.00 0.00 H ATOM 674 N GLU A 76 10.310 27.557 10.907 1.00 29.32 N ATOM 675 CA GLU A 76 8.948 27.037 11.088 1.00 30.58 C ATOM 676 C GLU A 76 8.138 27.100 9.780 1.00 32.28 C ATOM 677 O GLU A 76 7.277 26.253 9.534 1.00 32.02 O ATOM 678 CB GLU A 76 8.223 27.816 12.190 1.00 31.89 C ATOM 679 CG GLU A 76 8.718 27.517 13.596 1.00 42.46 C ATOM 680 CD GLU A 76 7.976 28.314 14.646 1.00 56.94 C ATOM 681 OE1 GLU A 76 8.307 29.507 14.824 1.00 42.97 O ATOM 682 OE2 GLU A 76 7.027 27.767 15.253 1.00 56.93 O ATOM 683 H GLU A 76 10.483 28.561 11.118 1.00 0.00 H ATOM 684 N GLY A 77 8.416 28.119 8.976 1.00 28.56 N ATOM 685 CA GLY A 77 7.760 28.370 7.697 1.00 27.30 C ATOM 686 C GLY A 77 8.728 28.946 6.692 1.00 29.96 C ATOM 687 O GLY A 77 9.681 29.639 7.070 1.00 28.64 O ATOM 688 H GLY A 77 9.154 28.786 9.279 1.00 0.00 H ATOM 689 N PHE A 78 8.467 28.689 5.392 1.00 25.54 N ATOM 690 CA PHE A 78 9.353 29.082 4.307 1.00 23.26 C ATOM 691 C PHE A 78 8.663 29.822 3.163 1.00 26.77 C ATOM 692 O PHE A 78 7.669 29.330 2.615 1.00 25.47 O ATOM 693 CB PHE A 78 10.068 27.827 3.750 1.00 25.38 C ATOM 694 CG PHE A 78 10.886 27.088 4.789 1.00 27.25 C ATOM 695 CD1 PHE A 78 10.278 26.220 5.692 1.00 30.76 C ATOM 696 CD2 PHE A 78 12.258 27.283 4.882 1.00 28.37 C ATOM 697 CE1 PHE A 78 11.025 25.599 6.703 1.00 33.42 C ATOM 698 CE2 PHE A 78 13.008 26.645 5.880 1.00 31.84 C ATOM 699 CZ PHE A 78 12.389 25.799 6.775 1.00 31.93 C ATOM 700 H PHE A 78 7.589 28.185 5.155 1.00 0.00 H ATOM 701 N LEU A 79 9.226 30.980 2.766 1.00 23.58 N ATOM 702 CA LEU A 79 8.749 31.697 1.584 1.00 23.83 C ATOM 703 C LEU A 79 9.652 31.237 0.440 1.00 27.09 C ATOM 704 O LEU A 79 10.856 31.519 0.452 1.00 24.74 O ATOM 705 CB LEU A 79 8.859 33.229 1.718 1.00 23.17 C ATOM 706 CG LEU A 79 7.915 34.016 2.638 1.00 27.87 C ATOM 707 CD1 LEU A 79 7.985 35.497 2.291 1.00 27.81 C ATOM 708 CD2 LEU A 79 6.454 33.584 2.486 1.00 28.48 C ATOM 709 H LEU A 79 10.018 31.373 3.313 1.00 0.00 H ATOM 710 N CYS A 80 9.090 30.501 -0.525 1.00 25.58 N ATOM 711 CA CYS A 80 9.846 30.028 -1.691 1.00 26.09 C ATOM 712 C CYS A 80 9.579 31.040 -2.783 1.00 27.71 C ATOM 713 O CYS A 80 8.464 31.117 -3.318 1.00 26.33 O ATOM 714 CB CYS A 80 9.422 28.617 -2.084 1.00 28.86 C ATOM 715 SG CYS A 80 9.676 27.396 -0.770 1.00 34.14 S ATOM 716 H CYS A 80 8.082 30.255 -0.447 1.00 0.00 H ATOM 717 N VAL A 81 10.576 31.898 -3.024 1.00 23.90 N ATOM 718 CA VAL A 81 10.456 33.049 -3.925 1.00 23.22 C ATOM 719 C VAL A 81 11.075 32.804 -5.285 1.00 27.10 C ATOM 720 O VAL A 81 12.212 32.352 -5.368 1.00 25.99 O ATOM 721 CB VAL A 81 11.064 34.342 -3.288 1.00 25.54 C ATOM 722 CG1 VAL A 81 10.673 35.602 -4.076 1.00 26.21 C ATOM 723 CG2 VAL A 81 10.669 34.496 -1.814 1.00 24.18 C ATOM 724 H VAL A 81 11.486 31.740 -2.546 1.00 0.00 H ATOM 725 N PHE A 82 10.343 33.186 -6.344 1.00 24.25 N ATOM 726 CA PHE A 82 10.829 33.215 -7.715 1.00 25.50 C ATOM 727 C PHE A 82 10.466 34.600 -8.257 1.00 31.39 C ATOM 728 O PHE A 82 9.646 35.285 -7.640 1.00 31.63 O ATOM 729 CB PHE A 82 10.227 32.080 -8.568 1.00 27.87 C ATOM 730 CG PHE A 82 8.763 32.214 -8.925 1.00 28.67 C ATOM 731 CD1 PHE A 82 7.777 31.712 -8.085 1.00 29.27 C ATOM 732 CD2 PHE A 82 8.372 32.815 -10.123 1.00 30.59 C ATOM 733 CE1 PHE A 82 6.427 31.808 -8.433 1.00 30.87 C ATOM 734 CE2 PHE A 82 7.021 32.934 -10.455 1.00 33.58 C ATOM 735 CZ PHE A 82 6.057 32.423 -9.613 1.00 31.03 C ATOM 736 H PHE A 82 9.361 33.482 -6.172 1.00 0.00 H ATOM 737 N ALA A 83 11.094 35.031 -9.361 1.00 29.05 N ATOM 738 CA ALA A 83 10.753 36.311 -9.996 1.00 30.06 C ATOM 739 C ALA A 83 9.948 35.963 -11.248 1.00 35.74 C ATOM 740 O ALA A 83 10.358 35.091 -12.024 1.00 35.61 O ATOM 741 CB ALA A 83 12.008 37.099 -10.350 1.00 31.44 C ATOM 742 H ALA A 83 11.843 34.443 -9.779 1.00 0.00 H ATOM 743 N ILE A 84 8.779 36.611 -11.415 1.00 33.45 N ATOM 744 CA ILE A 84 7.818 36.348 -12.506 1.00 35.14 C ATOM 745 C ILE A 84 8.393 36.566 -13.925 1.00 41.12 C ATOM 746 O ILE A 84 7.804 36.095 -14.903 1.00 43.16 O ATOM 747 CB ILE A 84 6.481 37.115 -12.304 1.00 38.05 C ATOM 748 CG1 ILE A 84 6.654 38.667 -12.306 1.00 38.72 C ATOM 749 CG2 ILE A 84 5.775 36.621 -11.038 1.00 36.72 C ATOM 750 CD1 ILE A 84 6.662 39.394 -13.691 1.00 43.71 C ATOM 751 H ILE A 84 8.535 37.350 -10.726 1.00 0.00 H ATOM 752 N ASN A 85 9.506 37.299 -14.030 1.00 37.74 N ATOM 753 CA ASN A 85 10.196 37.567 -15.292 1.00 40.00 C ATOM 754 C ASN A 85 11.421 36.646 -15.422 1.00 43.06 C ATOM 755 O ASN A 85 12.253 36.845 -16.306 1.00 44.46 O ATOM 756 CB ASN A 85 10.608 39.050 -15.348 1.00 41.18 C ATOM 757 CG ASN A 85 11.677 39.451 -14.355 1.00 49.67 C ATOM 758 OD1 ASN A 85 11.836 38.855 -13.286 1.00 39.93 O ATOM 759 ND2 ASN A 85 12.465 40.450 -14.711 1.00 43.12 N ATOM 760 HD22 ASN A 85 12.311 40.937 -15.617 1.00 0.00 H ATOM 761 HD21 ASN A 85 13.240 40.750 -14.085 1.00 0.00 H ATOM 762 H ASN A 85 9.907 37.704 -13.160 1.00 0.00 H ATOM 763 N ASN A 86 11.534 35.647 -14.525 1.00 38.30 N ATOM 764 CA ASN A 86 12.661 34.722 -14.492 1.00 38.52 C ATOM 765 C ASN A 86 12.201 33.255 -14.393 1.00 41.09 C ATOM 766 O ASN A 86 11.967 32.734 -13.301 1.00 36.26 O ATOM 767 CB ASN A 86 13.637 35.110 -13.364 1.00 36.71 C ATOM 768 CG ASN A 86 14.919 34.308 -13.309 1.00 55.51 C ATOM 769 OD1 ASN A 86 15.050 33.233 -13.893 1.00 50.18 O ATOM 770 ND2 ASN A 86 15.881 34.792 -12.548 1.00 46.35 N ATOM 771 HD22 ASN A 86 15.752 35.703 -12.062 1.00 0.00 H ATOM 772 HD21 ASN A 86 16.769 34.263 -12.433 1.00 0.00 H ATOM 773 H ASN A 86 10.779 35.529 -13.820 1.00 0.00 H ATOM 774 N THR A 87 12.115 32.586 -15.551 1.00 40.34 N ATOM 775 CA THR A 87 11.698 31.184 -15.653 1.00 41.59 C ATOM 776 C THR A 87 12.665 30.259 -14.911 1.00 45.31 C ATOM 777 O THR A 87 12.216 29.316 -14.256 1.00 44.53 O ATOM 778 CB THR A 87 11.474 30.800 -17.130 1.00 52.46 C ATOM 779 OG1 THR A 87 10.610 31.772 -17.719 1.00 52.28 O ATOM 780 CG2 THR A 87 10.857 29.415 -17.296 1.00 52.31 C ATOM 781 HG1 THR A 87 11.032 32.666 -17.660 1.00 0.00 H ATOM 782 H THR A 87 12.358 33.090 -16.428 1.00 0.00 H ATOM 783 N LYS A 88 13.986 30.550 -14.984 1.00 42.33 N ATOM 784 CA LYS A 88 15.021 29.768 -14.303 1.00 41.69 C ATOM 785 C LYS A 88 14.789 29.734 -12.789 1.00 41.67 C ATOM 786 O LYS A 88 14.871 28.662 -12.197 1.00 41.31 O ATOM 787 CB LYS A 88 16.431 30.280 -14.639 1.00 44.69 C ATOM 788 CG LYS A 88 16.857 30.000 -16.082 1.00 55.38 C ATOM 789 CD LYS A 88 18.214 30.617 -16.386 1.00 63.75 C ATOM 790 CE LYS A 88 18.574 30.516 -17.844 1.00 74.62 C ATOM 791 NZ LYS A 88 19.983 30.916 -18.086 1.00 83.18 N ATOM 792 HZ1 LYS A 88 20.120 31.901 -17.780 1.00 0.00 H ATOM 793 HZ2 LYS A 88 20.617 30.293 -17.546 1.00 0.00 H ATOM 794 HZ3 LYS A 88 20.196 30.834 -19.101 1.00 0.00 H ATOM 795 H LYS A 88 14.280 31.370 -15.552 1.00 0.00 H ATOM 796 N SER A 89 14.443 30.889 -12.171 1.00 35.61 N ATOM 797 CA SER A 89 14.163 30.951 -10.728 1.00 32.68 C ATOM 798 C SER A 89 12.899 30.149 -10.361 1.00 36.85 C ATOM 799 O SER A 89 12.842 29.564 -9.274 1.00 34.84 O ATOM 800 CB SER A 89 14.048 32.393 -10.256 1.00 31.41 C ATOM 801 OG SER A 89 12.901 33.037 -10.785 1.00 32.92 O ATOM 802 HG SER A 89 12.951 33.039 -11.774 1.00 0.00 H ATOM 803 H SER A 89 14.373 31.760 -12.735 1.00 0.00 H ATOM 804 N PHE A 90 11.906 30.096 -11.286 1.00 35.41 N ATOM 805 CA PHE A 90 10.683 29.321 -11.087 1.00 35.45 C ATOM 806 C PHE A 90 11.011 27.836 -11.138 1.00 41.10 C ATOM 807 O PHE A 90 10.533 27.088 -10.291 1.00 39.92 O ATOM 808 CB PHE A 90 9.600 29.692 -12.105 1.00 38.14 C ATOM 809 CG PHE A 90 8.304 28.932 -11.947 1.00 39.78 C ATOM 810 CD1 PHE A 90 7.445 29.200 -10.886 1.00 40.23 C ATOM 811 CD2 PHE A 90 7.930 27.964 -12.873 1.00 44.62 C ATOM 812 CE1 PHE A 90 6.244 28.500 -10.743 1.00 42.09 C ATOM 813 CE2 PHE A 90 6.722 27.270 -12.735 1.00 48.18 C ATOM 814 CZ PHE A 90 5.885 27.548 -11.673 1.00 44.29 C ATOM 815 H PHE A 90 12.021 30.629 -12.172 1.00 0.00 H ATOM 816 N GLU A 91 11.876 27.428 -12.095 1.00 40.55 N ATOM 817 CA GLU A 91 12.358 26.052 -12.246 1.00 42.35 C ATOM 818 C GLU A 91 13.178 25.621 -11.015 1.00 45.52 C ATOM 819 O GLU A 91 13.213 24.444 -10.701 1.00 46.71 O ATOM 820 CB GLU A 91 13.184 25.902 -13.537 1.00 46.06 C ATOM 821 CG GLU A 91 12.349 25.993 -14.809 1.00 58.07 C ATOM 822 CD GLU A 91 13.080 26.241 -16.118 1.00 80.61 C ATOM 823 OE1 GLU A 91 14.329 26.341 -16.112 1.00 70.40 O ATOM 824 OE2 GLU A 91 12.391 26.341 -17.160 1.00 75.25 O ATOM 825 H GLU A 91 12.223 28.139 -12.770 1.00 0.00 H ATOM 826 N ASP A 92 13.791 26.578 -10.298 1.00 40.36 N ATOM 827 CA ASP A 92 14.596 26.302 -9.111 1.00 39.02 C ATOM 828 C ASP A 92 13.757 25.982 -7.873 1.00 40.18 C ATOM 829 O ASP A 92 14.281 25.369 -6.943 1.00 39.30 O ATOM 830 CB ASP A 92 15.530 27.492 -8.808 1.00 39.99 C ATOM 831 CG ASP A 92 16.873 27.494 -9.516 1.00 50.55 C ATOM 832 OD1 ASP A 92 17.287 26.421 -10.017 1.00 53.52 O ATOM 833 OD2 ASP A 92 17.529 28.558 -9.539 1.00 51.39 O ATOM 834 H ASP A 92 13.687 27.566 -10.604 1.00 0.00 H ATOM 835 N ILE A 93 12.476 26.420 -7.840 1.00 35.56 N ATOM 836 CA ILE A 93 11.568 26.267 -6.685 1.00 33.83 C ATOM 837 C ILE A 93 11.533 24.829 -6.134 1.00 39.48 C ATOM 838 O ILE A 93 11.719 24.650 -4.933 1.00 37.70 O ATOM 839 CB ILE A 93 10.130 26.821 -6.974 1.00 35.37 C ATOM 840 CG1 ILE A 93 10.125 28.372 -7.132 1.00 32.75 C ATOM 841 CG2 ILE A 93 9.089 26.347 -5.935 1.00 34.83 C ATOM 842 CD1 ILE A 93 10.534 29.236 -5.836 1.00 37.51 C ATOM 843 H ILE A 93 12.106 26.897 -8.687 1.00 0.00 H ATOM 844 N HIS A 94 11.313 23.826 -6.989 1.00 41.14 N ATOM 845 CA HIS A 94 11.250 22.438 -6.532 1.00 44.00 C ATOM 846 C HIS A 94 12.532 21.984 -5.822 1.00 47.78 C ATOM 847 O HIS A 94 12.432 21.197 -4.885 1.00 48.31 O ATOM 848 CB HIS A 94 10.837 21.473 -7.645 1.00 48.54 C ATOM 849 CG HIS A 94 11.903 21.159 -8.636 1.00 54.67 C ATOM 850 ND1 HIS A 94 12.228 22.041 -9.648 1.00 56.84 N ATOM 851 CD2 HIS A 94 12.637 20.031 -8.782 1.00 59.43 C ATOM 852 CE1 HIS A 94 13.161 21.433 -10.365 1.00 58.67 C ATOM 853 NE2 HIS A 94 13.447 20.225 -9.876 1.00 60.48 N ATOM 854 H HIS A 94 11.184 24.036 -7.999 1.00 0.00 H ATOM 855 N HIS A 95 13.712 22.517 -6.221 1.00 43.53 N ATOM 856 CA HIS A 95 14.982 22.194 -5.568 1.00 44.54 C ATOM 857 C HIS A 95 15.003 22.701 -4.116 1.00 44.36 C ATOM 858 O HIS A 95 15.467 21.981 -3.229 1.00 44.25 O ATOM 859 CB HIS A 95 16.189 22.715 -6.369 1.00 46.77 C ATOM 860 CG HIS A 95 16.342 22.075 -7.715 1.00 53.66 C ATOM 861 ND1 HIS A 95 16.255 22.817 -8.880 1.00 56.18 N ATOM 862 CD2 HIS A 95 16.558 20.777 -8.041 1.00 58.80 C ATOM 863 CE1 HIS A 95 16.422 21.954 -9.870 1.00 58.43 C ATOM 864 NE2 HIS A 95 16.606 20.715 -9.414 1.00 60.49 N ATOM 865 H HIS A 95 13.716 23.181 -7.022 1.00 0.00 H ATOM 866 N TYR A 96 14.453 23.904 -3.866 1.00 37.80 N ATOM 867 CA TYR A 96 14.385 24.477 -2.515 1.00 36.00 C ATOM 868 C TYR A 96 13.405 23.709 -1.654 1.00 40.28 C ATOM 869 O TYR A 96 13.748 23.356 -0.527 1.00 39.73 O ATOM 870 CB TYR A 96 14.026 25.974 -2.535 1.00 34.49 C ATOM 871 CG TYR A 96 15.125 26.844 -3.101 1.00 35.36 C ATOM 872 CD1 TYR A 96 16.251 27.160 -2.345 1.00 36.65 C ATOM 873 CD2 TYR A 96 15.054 27.329 -4.403 1.00 36.35 C ATOM 874 CE1 TYR A 96 17.277 27.941 -2.871 1.00 37.11 C ATOM 875 CE2 TYR A 96 16.079 28.100 -4.944 1.00 37.41 C ATOM 876 CZ TYR A 96 17.190 28.404 -4.174 1.00 44.19 C ATOM 877 OH TYR A 96 18.201 29.167 -4.705 1.00 46.19 O ATOM 878 HH TYR A 96 18.575 28.710 -5.499 1.00 0.00 H ATOM 879 H TYR A 96 14.061 24.449 -4.660 1.00 0.00 H ATOM 880 N ARG A 97 12.203 23.409 -2.198 1.00 37.52 N ATOM 881 CA ARG A 97 11.175 22.648 -1.488 1.00 38.59 C ATOM 882 C ARG A 97 11.704 21.254 -1.122 1.00 45.75 C ATOM 883 O ARG A 97 11.469 20.788 -0.002 1.00 45.62 O ATOM 884 CB ARG A 97 9.881 22.559 -2.317 1.00 40.09 C ATOM 885 CG ARG A 97 8.789 21.761 -1.622 1.00 50.35 C ATOM 886 CD ARG A 97 7.458 21.822 -2.329 1.00 53.13 C ATOM 887 NE ARG A 97 6.483 20.924 -1.709 1.00 56.27 N ATOM 888 CZ ARG A 97 5.692 21.255 -0.693 1.00 73.22 C ATOM 889 NH1 ARG A 97 5.745 22.475 -0.171 1.00 61.08 N ATOM 890 NH2 ARG A 97 4.843 20.369 -0.192 1.00 65.61 N ATOM 891 HE ARG A 97 6.403 19.959 -2.090 1.00 0.00 H ATOM 892 HH12 ARG A 97 5.124 22.728 0.624 1.00 0.00 H ATOM 893 HH11 ARG A 97 6.408 23.177 -0.557 1.00 0.00 H ATOM 894 HH22 ARG A 97 4.226 20.632 0.603 1.00 0.00 H ATOM 895 HH21 ARG A 97 4.794 19.411 -0.594 1.00 0.00 H ATOM 896 H ARG A 97 12.001 23.734 -3.165 1.00 0.00 H ATOM 897 N GLU A 98 12.431 20.610 -2.067 1.00 44.30 N ATOM 898 CA GLU A 98 13.056 19.300 -1.882 1.00 46.70 C ATOM 899 C GLU A 98 14.100 19.332 -0.759 1.00 49.88 C ATOM 900 O GLU A 98 14.112 18.419 0.067 1.00 50.70 O ATOM 901 CB GLU A 98 13.673 18.794 -3.196 1.00 50.10 C ATOM 902 CG GLU A 98 12.731 17.902 -3.990 1.00 66.76 C ATOM 903 CD GLU A 98 12.880 17.950 -5.500 1.00 98.22 C ATOM 904 OE1 GLU A 98 13.990 17.659 -6.004 1.00100.36 O ATOM 905 OE2 GLU A 98 11.870 18.235 -6.184 1.00 93.37 O ATOM 906 H GLU A 98 12.553 21.079 -2.987 1.00 0.00 H ATOM 907 N GLN A 99 14.944 20.392 -0.702 1.00 44.80 N ATOM 908 CA GLN A 99 15.963 20.543 0.353 1.00 44.15 C ATOM 909 C GLN A 99 15.311 20.656 1.736 1.00 45.31 C ATOM 910 O GLN A 99 15.753 19.992 2.671 1.00 44.56 O ATOM 911 CB GLN A 99 16.848 21.778 0.116 1.00 43.93 C ATOM 912 CG GLN A 99 17.904 21.618 -0.970 1.00 58.37 C ATOM 913 CD GLN A 99 18.787 22.842 -1.104 1.00 72.30 C ATOM 914 OE1 GLN A 99 18.349 23.992 -0.955 1.00 63.42 O ATOM 915 NE2 GLN A 99 20.052 22.620 -1.428 1.00 65.57 N ATOM 916 HE22 GLN A 99 20.395 21.645 -1.547 1.00 0.00 H ATOM 917 HE21 GLN A 99 20.702 23.420 -1.563 1.00 0.00 H ATOM 918 H GLN A 99 14.869 21.129 -1.432 1.00 0.00 H ATOM 919 N ILE A 100 14.246 21.482 1.852 1.00 40.03 N ATOM 920 CA ILE A 100 13.505 21.733 3.097 1.00 38.98 C ATOM 921 C ILE A 100 12.824 20.460 3.599 1.00 45.07 C ATOM 922 O ILE A 100 13.023 20.083 4.758 1.00 45.46 O ATOM 923 CB ILE A 100 12.501 22.917 2.951 1.00 39.07 C ATOM 924 CG1 ILE A 100 13.226 24.237 2.616 1.00 37.03 C ATOM 925 CG2 ILE A 100 11.655 23.076 4.217 1.00 39.96 C ATOM 926 CD1 ILE A 100 12.353 25.268 1.876 1.00 34.86 C ATOM 927 H ILE A 100 13.927 21.977 0.995 1.00 0.00 H ATOM 928 N LYS A 101 12.025 19.808 2.727 1.00 43.02 N ATOM 929 CA LYS A 101 11.313 18.553 3.011 1.00 45.75 C ATOM 930 C LYS A 101 12.267 17.464 3.511 1.00 53.20 C ATOM 931 O LYS A 101 11.923 16.731 4.437 1.00 55.04 O ATOM 932 CB LYS A 101 10.572 18.059 1.758 1.00 49.49 C ATOM 933 CG LYS A 101 9.212 18.718 1.530 1.00 64.03 C ATOM 934 CD LYS A 101 8.653 18.424 0.136 1.00 75.32 C ATOM 935 CE LYS A 101 8.025 17.057 -0.002 1.00 89.68 C ATOM 936 NZ LYS A 101 7.875 16.664 -1.427 1.00 99.88 N ATOM 937 HZ1 LYS A 101 7.269 17.355 -1.914 1.00 0.00 H ATOM 938 HZ2 LYS A 101 8.811 16.643 -1.880 1.00 0.00 H ATOM 939 HZ3 LYS A 101 7.441 15.721 -1.481 1.00 0.00 H ATOM 940 H LYS A 101 11.904 20.225 1.782 1.00 0.00 H ATOM 941 N ARG A 102 13.467 17.380 2.904 1.00 50.36 N ATOM 942 CA ARG A 102 14.523 16.428 3.241 1.00 53.07 C ATOM 943 C ARG A 102 15.078 16.691 4.654 1.00 56.92 C ATOM 944 O ARG A 102 15.181 15.754 5.453 1.00 57.31 O ATOM 945 CB ARG A 102 15.636 16.498 2.177 1.00 54.87 C ATOM 946 CG ARG A 102 16.806 15.530 2.365 1.00 72.90 C ATOM 947 CD ARG A 102 17.884 15.715 1.299 1.00 88.70 C ATOM 948 NE ARG A 102 18.260 17.120 1.099 1.00 97.37 N ATOM 949 CZ ARG A 102 19.181 17.768 1.809 1.00113.05 C ATOM 950 NH1 ARG A 102 19.841 17.147 2.780 1.00101.64 N ATOM 951 NH2 ARG A 102 19.445 19.043 1.556 1.00 98.88 N ATOM 952 HE ARG A 102 17.771 17.648 0.348 1.00 0.00 H ATOM 953 HH12 ARG A 102 20.559 17.659 3.331 1.00 0.00 H ATOM 954 HH11 ARG A 102 19.640 16.148 2.990 1.00 0.00 H ATOM 955 HH22 ARG A 102 20.165 19.545 2.113 1.00 0.00 H ATOM 956 HH21 ARG A 102 18.932 19.540 0.800 1.00 0.00 H ATOM 957 H ARG A 102 13.658 18.049 2.131 1.00 0.00 H ATOM 958 N VAL A 103 15.412 17.966 4.959 1.00 51.63 N ATOM 959 CA VAL A 103 15.963 18.381 6.255 1.00 51.89 C ATOM 960 C VAL A 103 14.938 18.203 7.388 1.00 57.29 C ATOM 961 O VAL A 103 15.275 17.645 8.434 1.00 59.07 O ATOM 962 CB VAL A 103 16.564 19.817 6.199 1.00 53.28 C ATOM 963 CG1 VAL A 103 16.920 20.337 7.591 1.00 53.37 C ATOM 964 CG2 VAL A 103 17.791 19.859 5.290 1.00 53.17 C ATOM 965 H VAL A 103 15.270 18.696 4.232 1.00 0.00 H ATOM 966 N LYS A 104 13.691 18.633 7.157 1.00 53.41 N ATOM 967 CA LYS A 104 12.611 18.576 8.144 1.00 54.40 C ATOM 968 C LYS A 104 11.932 17.202 8.253 1.00 64.48 C ATOM 969 O LYS A 104 11.115 17.013 9.160 1.00 65.78 O ATOM 970 CB LYS A 104 11.578 19.692 7.887 1.00 53.60 C ATOM 971 CG LYS A 104 12.175 21.103 7.942 1.00 48.55 C ATOM 972 CD LYS A 104 11.221 22.124 8.558 1.00 45.97 C ATOM 973 CE LYS A 104 11.599 22.418 9.990 1.00 48.82 C ATOM 974 NZ LYS A 104 10.464 22.946 10.783 1.00 62.26 N ATOM 975 HZ1 LYS A 104 10.125 23.831 10.354 1.00 0.00 H ATOM 976 HZ2 LYS A 104 9.694 22.247 10.793 1.00 0.00 H ATOM 977 HZ3 LYS A 104 10.779 23.130 11.757 1.00 0.00 H ATOM 978 H LYS A 104 13.477 19.031 6.220 1.00 0.00 H ATOM 979 N ASP A 105 12.282 16.245 7.349 1.00 64.12 N ATOM 980 CA ASP A 105 11.735 14.877 7.271 1.00 68.06 C ATOM 981 C ASP A 105 10.198 14.896 7.367 1.00 73.70 C ATOM 982 O ASP A 105 9.594 14.177 8.173 1.00 75.59 O ATOM 983 CB ASP A 105 12.385 13.952 8.326 1.00 72.95 C ATOM 984 CG ASP A 105 12.453 12.483 7.935 1.00 88.08 C ATOM 985 OD1 ASP A 105 11.425 11.939 7.469 1.00 89.14 O ATOM 986 OD2 ASP A 105 13.518 11.863 8.146 1.00 97.62 O ATOM 987 H ASP A 105 13.004 16.503 6.646 1.00 0.00 H ATOM 988 N SER A 106 9.582 15.781 6.560 1.00 68.77 N ATOM 989 CA SER A 106 8.142 16.009 6.520 1.00 68.83 C ATOM 990 C SER A 106 7.688 16.470 5.135 1.00 71.68 C ATOM 991 O SER A 106 8.334 17.315 4.510 1.00 68.60 O ATOM 992 CB SER A 106 7.746 17.046 7.573 1.00 70.92 C ATOM 993 OG SER A 106 6.388 17.447 7.479 1.00 78.81 O ATOM 994 HG SER A 106 6.193 18.115 8.183 1.00 0.00 H ATOM 995 H SER A 106 10.177 16.343 5.918 1.00 0.00 H ATOM 996 N GLU A 107 6.554 15.923 4.679 1.00 70.47 N ATOM 997 CA GLU A 107 5.917 16.282 3.415 1.00 69.40 C ATOM 998 C GLU A 107 4.960 17.451 3.692 1.00 69.87 C ATOM 999 O GLU A 107 4.433 18.059 2.756 1.00 68.87 O ATOM 1000 CB GLU A 107 5.148 15.073 2.848 1.00 74.17 C ATOM 1001 CG GLU A 107 5.041 15.074 1.331 1.00 87.52 C ATOM 1002 CD GLU A 107 5.890 14.041 0.614 1.00120.62 C ATOM 1003 OE1 GLU A 107 7.107 13.957 0.899 1.00120.63 O ATOM 1004 OE2 GLU A 107 5.339 13.330 -0.258 1.00121.16 O ATOM 1005 H GLU A 107 6.097 15.194 5.264 1.00 0.00 H ATOM 1006 N ASP A 108 4.754 17.764 4.992 1.00 64.54 N ATOM 1007 CA ASP A 108 3.882 18.826 5.485 1.00 62.00 C ATOM 1008 C ASP A 108 4.686 19.917 6.219 1.00 59.87 C ATOM 1009 O ASP A 108 4.787 19.913 7.449 1.00 60.86 O ATOM 1010 CB ASP A 108 2.776 18.226 6.381 1.00 66.89 C ATOM 1011 CG ASP A 108 1.629 19.165 6.715 1.00 79.34 C ATOM 1012 OD1 ASP A 108 1.295 20.025 5.867 1.00 77.96 O ATOM 1013 OD2 ASP A 108 1.028 19.002 7.797 1.00 88.96 O ATOM 1014 H ASP A 108 5.261 17.199 5.702 1.00 0.00 H ATOM 1015 N VAL A 109 5.294 20.825 5.451 1.00 49.65 N ATOM 1016 CA VAL A 109 6.073 21.925 6.007 1.00 45.34 C ATOM 1017 C VAL A 109 5.386 23.226 5.584 1.00 43.49 C ATOM 1018 O VAL A 109 5.179 23.410 4.380 1.00 41.74 O ATOM 1019 CB VAL A 109 7.567 21.883 5.579 1.00 48.08 C ATOM 1020 CG1 VAL A 109 8.326 23.111 6.081 1.00 45.46 C ATOM 1021 CG2 VAL A 109 8.245 20.602 6.063 1.00 50.33 C ATOM 1022 H VAL A 109 5.209 20.744 4.418 1.00 0.00 H ATOM 1023 N PRO A 110 5.025 24.130 6.538 1.00 37.19 N ATOM 1024 CA PRO A 110 4.379 25.398 6.145 1.00 34.68 C ATOM 1025 C PRO A 110 5.237 26.189 5.157 1.00 35.85 C ATOM 1026 O PRO A 110 6.419 26.444 5.414 1.00 33.51 O ATOM 1027 CB PRO A 110 4.208 26.144 7.477 1.00 35.80 C ATOM 1028 CG PRO A 110 4.217 25.076 8.515 1.00 42.03 C ATOM 1029 CD PRO A 110 5.190 24.051 8.006 1.00 38.92 C ATOM 1030 N MET A 111 4.674 26.446 3.967 1.00 31.49 N ATOM 1031 CA MET A 111 5.357 27.164 2.894 1.00 29.45 C ATOM 1032 C MET A 111 4.374 28.010 2.108 1.00 31.61 C ATOM 1033 O MET A 111 3.174 27.714 2.056 1.00 31.48 O ATOM 1034 CB MET A 111 6.030 26.207 1.885 1.00 32.77 C ATOM 1035 CG MET A 111 7.163 25.380 2.424 1.00 38.24 C ATOM 1036 SD MET A 111 8.019 24.562 1.064 1.00 43.87 S ATOM 1037 CE MET A 111 8.748 23.192 1.926 1.00 42.63 C ATOM 1038 H MET A 111 3.702 26.117 3.800 1.00 0.00 H ATOM 1039 N VAL A 112 4.899 29.039 1.445 1.00 25.97 N ATOM 1040 CA VAL A 112 4.113 29.875 0.551 1.00 24.80 C ATOM 1041 C VAL A 112 4.955 30.065 -0.703 1.00 28.22 C ATOM 1042 O VAL A 112 6.151 30.354 -0.604 1.00 27.50 O ATOM 1043 CB VAL A 112 3.702 31.232 1.195 1.00 27.08 C ATOM 1044 CG1 VAL A 112 3.081 32.173 0.162 1.00 26.44 C ATOM 1045 CG2 VAL A 112 2.741 31.026 2.369 1.00 27.43 C ATOM 1046 H VAL A 112 5.909 29.253 1.571 1.00 0.00 H ATOM 1047 N LEU A 113 4.339 29.901 -1.875 1.00 24.87 N ATOM 1048 CA LEU A 113 5.022 30.156 -3.141 1.00 24.91 C ATOM 1049 C LEU A 113 4.861 31.642 -3.432 1.00 28.39 C ATOM 1050 O LEU A 113 3.731 32.132 -3.474 1.00 28.56 O ATOM 1051 CB LEU A 113 4.407 29.329 -4.283 1.00 25.90 C ATOM 1052 CG LEU A 113 5.054 29.533 -5.663 1.00 30.49 C ATOM 1053 CD1 LEU A 113 6.551 29.101 -5.660 1.00 30.14 C ATOM 1054 CD2 LEU A 113 4.278 28.787 -6.740 1.00 32.43 C ATOM 1055 H LEU A 113 3.349 29.584 -1.888 1.00 0.00 H ATOM 1056 N VAL A 114 5.977 32.356 -3.653 1.00 24.81 N ATOM 1057 CA VAL A 114 5.933 33.802 -3.906 1.00 23.70 C ATOM 1058 C VAL A 114 6.471 34.148 -5.298 1.00 26.26 C ATOM 1059 O VAL A 114 7.632 33.878 -5.596 1.00 25.12 O ATOM 1060 CB VAL A 114 6.681 34.591 -2.789 1.00 26.07 C ATOM 1061 CG1 VAL A 114 6.728 36.087 -3.097 1.00 24.56 C ATOM 1062 CG2 VAL A 114 6.064 34.342 -1.413 1.00 25.78 C ATOM 1063 H VAL A 114 6.897 31.872 -3.645 1.00 0.00 H ATOM 1064 N GLY A 115 5.618 34.766 -6.115 1.00 23.85 N ATOM 1065 CA GLY A 115 5.972 35.248 -7.448 1.00 24.30 C ATOM 1066 C GLY A 115 6.257 36.729 -7.333 1.00 28.22 C ATOM 1067 O GLY A 115 5.331 37.543 -7.303 1.00 27.18 O ATOM 1068 H GLY A 115 4.643 34.914 -5.784 1.00 0.00 H ATOM 1069 N ASN A 116 7.534 37.083 -7.197 1.00 25.91 N ATOM 1070 CA ASN A 116 7.938 38.476 -6.983 1.00 25.75 C ATOM 1071 C ASN A 116 8.206 39.228 -8.286 1.00 29.91 C ATOM 1072 O ASN A 116 8.287 38.606 -9.348 1.00 31.70 O ATOM 1073 CB ASN A 116 9.129 38.543 -6.017 1.00 24.04 C ATOM 1074 CG ASN A 116 9.455 39.928 -5.500 1.00 31.15 C ATOM 1075 OD1 ASN A 116 8.574 40.712 -5.110 1.00 24.64 O ATOM 1076 ND2 ASN A 116 10.732 40.281 -5.556 1.00 26.26 N ATOM 1077 HD22 ASN A 116 11.445 39.601 -5.887 1.00 0.00 H ATOM 1078 HD21 ASN A 116 11.020 41.238 -5.269 1.00 0.00 H ATOM 1079 H ASN A 116 8.268 36.348 -7.244 1.00 0.00 H ATOM 1080 N LYS A 117 8.341 40.570 -8.201 1.00 24.90 N ATOM 1081 CA LYS A 117 8.572 41.496 -9.323 1.00 26.42 C ATOM 1082 C LYS A 117 7.352 41.606 -10.247 1.00 32.16 C ATOM 1083 O LYS A 117 7.515 41.843 -11.447 1.00 33.00 O ATOM 1084 CB LYS A 117 9.873 41.163 -10.110 1.00 28.56 C ATOM 1085 CG LYS A 117 11.100 40.991 -9.225 1.00 28.18 C ATOM 1086 CD LYS A 117 12.375 40.900 -10.038 1.00 28.42 C ATOM 1087 CE LYS A 117 13.548 40.693 -9.112 1.00 29.45 C ATOM 1088 NZ LYS A 117 14.851 40.744 -9.845 1.00 30.51 N ATOM 1089 HZ1 LYS A 117 14.870 39.997 -10.568 1.00 0.00 H ATOM 1090 HZ2 LYS A 117 14.955 41.673 -10.301 1.00 0.00 H ATOM 1091 HZ3 LYS A 117 15.631 40.597 -9.173 1.00 0.00 H ATOM 1092 H LYS A 117 8.275 40.989 -7.252 1.00 0.00 H ATOM 1093 N CYS A 118 6.119 41.496 -9.679 1.00 31.26 N ATOM 1094 CA CYS A 118 4.864 41.565 -10.443 1.00 33.67 C ATOM 1095 C CYS A 118 4.598 42.956 -11.063 1.00 37.25 C ATOM 1096 O CYS A 118 3.708 43.092 -11.902 1.00 37.87 O ATOM 1097 CB CYS A 118 3.674 41.067 -9.625 1.00 35.08 C ATOM 1098 SG CYS A 118 3.133 42.199 -8.308 1.00 38.61 S ATOM 1099 H CYS A 118 6.062 41.356 -8.650 1.00 0.00 H ATOM 1100 N ASP A 119 5.398 43.965 -10.682 1.00 32.99 N ATOM 1101 CA ASP A 119 5.332 45.328 -11.222 1.00 34.28 C ATOM 1102 C ASP A 119 6.031 45.399 -12.601 1.00 40.14 C ATOM 1103 O ASP A 119 5.770 46.328 -13.363 1.00 40.98 O ATOM 1104 CB ASP A 119 6.019 46.297 -10.247 1.00 34.34 C ATOM 1105 CG ASP A 119 7.466 45.915 -9.998 1.00 35.65 C ATOM 1106 OD1 ASP A 119 7.701 44.912 -9.279 1.00 30.53 O ATOM 1107 OD2 ASP A 119 8.355 46.531 -10.622 1.00 40.25 O ATOM 1108 H ASP A 119 6.114 43.767 -9.954 1.00 0.00 H ATOM 1109 N LEU A 120 6.933 44.426 -12.907 1.00 36.92 N ATOM 1110 CA LEU A 120 7.689 44.395 -14.168 1.00 39.51 C ATOM 1111 C LEU A 120 6.857 43.892 -15.353 1.00 48.03 C ATOM 1112 O LEU A 120 6.122 42.911 -15.205 1.00 46.32 O ATOM 1113 CB LEU A 120 9.019 43.632 -14.045 1.00 38.92 C ATOM 1114 CG LEU A 120 10.079 44.262 -13.120 1.00 42.44 C ATOM 1115 CD1 LEU A 120 11.325 43.414 -13.071 1.00 42.54 C ATOM 1116 CD2 LEU A 120 10.434 45.691 -13.550 1.00 46.26 C ATOM 1117 H LEU A 120 7.095 43.667 -12.215 1.00 0.00 H ATOM 1118 N PRO A 121 6.973 44.559 -16.536 1.00 50.72 N ATOM 1119 CA PRO A 121 6.117 44.200 -17.685 1.00 54.06 C ATOM 1120 C PRO A 121 6.414 42.892 -18.431 1.00 61.31 C ATOM 1121 O PRO A 121 5.458 42.202 -18.792 1.00 62.40 O ATOM 1122 CB PRO A 121 6.268 45.401 -18.628 1.00 58.49 C ATOM 1123 CG PRO A 121 7.599 45.977 -18.301 1.00 62.02 C ATOM 1124 CD PRO A 121 7.779 45.767 -16.826 1.00 54.05 C ATOM 1125 N SER A 122 7.693 42.588 -18.739 1.00 58.74 N ATOM 1126 CA SER A 122 8.055 41.383 -19.498 1.00 59.51 C ATOM 1127 C SER A 122 8.022 40.120 -18.625 1.00 59.23 C ATOM 1128 O SER A 122 9.063 39.600 -18.221 1.00 57.31 O ATOM 1129 CB SER A 122 9.399 41.558 -20.202 1.00 64.83 C ATOM 1130 OG SER A 122 9.312 42.481 -21.274 1.00 76.28 O ATOM 1131 HG SER A 122 10.199 42.569 -21.705 1.00 0.00 H ATOM 1132 H SER A 122 8.450 43.230 -18.428 1.00 0.00 H ATOM 1133 N ARG A 123 6.805 39.646 -18.328 1.00 54.28 N ATOM 1134 CA ARG A 123 6.549 38.465 -17.501 1.00 52.23 C ATOM 1135 C ARG A 123 6.784 37.203 -18.335 1.00 58.31 C ATOM 1136 O ARG A 123 6.344 37.137 -19.484 1.00 60.78 O ATOM 1137 CB ARG A 123 5.099 38.516 -16.982 1.00 51.94 C ATOM 1138 CG ARG A 123 4.631 37.278 -16.240 1.00 62.03 C ATOM 1139 CD ARG A 123 3.119 37.210 -16.169 1.00 69.26 C ATOM 1140 NE ARG A 123 2.586 38.025 -15.079 1.00 68.28 N ATOM 1141 CZ ARG A 123 2.358 37.579 -13.847 1.00 70.49 C ATOM 1142 NH1 ARG A 123 2.615 36.316 -13.533 1.00 53.66 N ATOM 1143 NH2 ARG A 123 1.866 38.390 -12.923 1.00 49.69 N ATOM 1144 HE ARG A 123 2.370 39.022 -15.281 1.00 0.00 H ATOM 1145 HH12 ARG A 123 2.435 35.973 -12.568 1.00 0.00 H ATOM 1146 HH11 ARG A 123 2.997 35.669 -14.252 1.00 0.00 H ATOM 1147 HH22 ARG A 123 1.690 38.036 -11.961 1.00 0.00 H ATOM 1148 HH21 ARG A 123 1.656 39.381 -13.159 1.00 0.00 H ATOM 1149 H ARG A 123 5.983 40.153 -18.712 1.00 0.00 H ATOM 1150 N THR A 124 7.479 36.207 -17.765 1.00 52.87 N ATOM 1151 CA THR A 124 7.730 34.946 -18.473 1.00 54.08 C ATOM 1152 C THR A 124 7.013 33.781 -17.787 1.00 56.79 C ATOM 1153 O THR A 124 6.743 32.767 -18.427 1.00 57.60 O ATOM 1154 CB THR A 124 9.230 34.710 -18.690 1.00 58.69 C ATOM 1155 OG1 THR A 124 9.885 34.604 -17.426 1.00 54.55 O ATOM 1156 CG2 THR A 124 9.882 35.801 -19.538 1.00 58.18 C ATOM 1157 HG1 THR A 124 10.853 34.452 -17.569 1.00 0.00 H ATOM 1158 H THR A 124 7.848 36.331 -16.801 1.00 0.00 H ATOM 1159 N VAL A 125 6.681 33.943 -16.489 1.00 50.96 N ATOM 1160 CA VAL A 125 5.978 32.932 -15.698 1.00 50.05 C ATOM 1161 C VAL A 125 4.535 33.376 -15.489 1.00 55.42 C ATOM 1162 O VAL A 125 4.275 34.335 -14.759 1.00 53.11 O ATOM 1163 CB VAL A 125 6.702 32.582 -14.363 1.00 50.72 C ATOM 1164 CG1 VAL A 125 5.945 31.502 -13.592 1.00 49.95 C ATOM 1165 CG2 VAL A 125 8.140 32.143 -14.617 1.00 50.85 C ATOM 1166 H VAL A 125 6.939 34.837 -16.024 1.00 0.00 H ATOM 1167 N ASP A 126 3.604 32.669 -16.141 1.00 56.01 N ATOM 1168 CA ASP A 126 2.165 32.929 -16.082 1.00 56.99 C ATOM 1169 C ASP A 126 1.626 32.654 -14.682 1.00 58.55 C ATOM 1170 O ASP A 126 2.207 31.855 -13.942 1.00 57.42 O ATOM 1171 CB ASP A 126 1.420 32.044 -17.106 1.00 62.15 C ATOM 1172 CG ASP A 126 1.826 32.247 -18.556 1.00 79.13 C ATOM 1173 OD1 ASP A 126 3.034 32.104 -18.864 1.00 80.45 O ATOM 1174 OD2 ASP A 126 0.928 32.481 -19.395 1.00 87.98 O ATOM 1175 H ASP A 126 3.927 31.877 -16.733 1.00 0.00 H ATOM 1176 N THR A 127 0.512 33.311 -14.326 1.00 54.44 N ATOM 1177 CA THR A 127 -0.172 33.136 -13.044 1.00 52.40 C ATOM 1178 C THR A 127 -0.666 31.685 -12.927 1.00 55.14 C ATOM 1179 O THR A 127 -0.505 31.082 -11.868 1.00 53.15 O ATOM 1180 CB THR A 127 -1.249 34.221 -12.872 1.00 61.82 C ATOM 1181 OG1 THR A 127 -0.593 35.488 -12.827 1.00 60.17 O ATOM 1182 CG2 THR A 127 -2.094 34.040 -11.610 1.00 59.58 C ATOM 1183 HG1 THR A 127 0.037 35.505 -12.063 1.00 0.00 H ATOM 1184 H THR A 127 0.109 33.988 -15.004 1.00 0.00 H ATOM 1185 N LYS A 128 -1.193 31.113 -14.037 1.00 52.92 N ATOM 1186 CA LYS A 128 -1.666 29.726 -14.117 1.00 53.19 C ATOM 1187 C LYS A 128 -0.543 28.742 -13.810 1.00 53.41 C ATOM 1188 O LYS A 128 -0.771 27.805 -13.051 1.00 52.28 O ATOM 1189 CB LYS A 128 -2.267 29.409 -15.498 1.00 58.67 C ATOM 1190 CG LYS A 128 -3.214 28.215 -15.466 1.00 71.42 C ATOM 1191 CD LYS A 128 -3.312 27.505 -16.810 1.00 78.49 C ATOM 1192 CE LYS A 128 -4.337 26.395 -16.791 1.00 83.48 C ATOM 1193 NZ LYS A 128 -3.923 25.250 -15.935 1.00 86.85 N ATOM 1194 HZ1 LYS A 128 -3.030 24.856 -16.294 1.00 0.00 H ATOM 1195 HZ2 LYS A 128 -3.790 25.580 -14.958 1.00 0.00 H ATOM 1196 HZ3 LYS A 128 -4.661 24.517 -15.957 1.00 0.00 H ATOM 1197 H LYS A 128 -1.268 31.699 -14.893 1.00 0.00 H ATOM 1198 N GLN A 129 0.656 28.953 -14.401 1.00 48.82 N ATOM 1199 CA GLN A 129 1.848 28.127 -14.186 1.00 48.45 C ATOM 1200 C GLN A 129 2.175 28.066 -12.690 1.00 46.74 C ATOM 1201 O GLN A 129 2.351 26.978 -12.138 1.00 44.66 O ATOM 1202 CB GLN A 129 3.059 28.735 -14.914 1.00 50.30 C ATOM 1203 CG GLN A 129 3.290 28.249 -16.330 1.00 66.34 C ATOM 1204 CD GLN A 129 4.566 28.853 -16.862 1.00 85.16 C ATOM 1205 OE1 GLN A 129 4.580 29.973 -17.389 1.00 80.11 O ATOM 1206 NE2 GLN A 129 5.678 28.154 -16.677 1.00 75.92 N ATOM 1207 HE22 GLN A 129 5.634 27.215 -16.231 1.00 0.00 H ATOM 1208 HE21 GLN A 129 6.594 28.545 -16.978 1.00 0.00 H ATOM 1209 H GLN A 129 0.738 29.758 -15.054 1.00 0.00 H ATOM 1210 N ALA A 130 2.233 29.247 -12.038 1.00 42.16 N ATOM 1211 CA ALA A 130 2.557 29.380 -10.624 1.00 39.23 C ATOM 1212 C ALA A 130 1.464 28.797 -9.729 1.00 41.52 C ATOM 1213 O ALA A 130 1.778 28.049 -8.806 1.00 39.09 O ATOM 1214 CB ALA A 130 2.802 30.838 -10.290 1.00 38.43 C ATOM 1215 H ALA A 130 2.034 30.114 -12.578 1.00 0.00 H ATOM 1216 N GLN A 131 0.185 29.101 -10.028 1.00 39.38 N ATOM 1217 CA GLN A 131 -0.973 28.592 -9.282 1.00 39.94 C ATOM 1218 C GLN A 131 -1.064 27.075 -9.335 1.00 44.61 C ATOM 1219 O GLN A 131 -1.361 26.462 -8.310 1.00 44.71 O ATOM 1220 CB GLN A 131 -2.291 29.227 -9.772 1.00 42.57 C ATOM 1221 CG GLN A 131 -2.551 30.610 -9.182 1.00 51.20 C ATOM 1222 CD GLN A 131 -3.967 31.112 -9.390 1.00 76.02 C ATOM 1223 OE1 GLN A 131 -4.649 30.779 -10.366 1.00 72.95 O ATOM 1224 NE2 GLN A 131 -4.426 31.967 -8.488 1.00 70.25 N ATOM 1225 HE22 GLN A 131 -3.834 32.233 -7.675 1.00 0.00 H ATOM 1226 HE21 GLN A 131 -5.378 32.373 -8.593 1.00 0.00 H ATOM 1227 H GLN A 131 0.008 29.733 -10.835 1.00 0.00 H ATOM 1228 N ASP A 132 -0.803 26.472 -10.519 1.00 43.05 N ATOM 1229 CA ASP A 132 -0.828 25.022 -10.734 1.00 44.50 C ATOM 1230 C ASP A 132 0.249 24.342 -9.896 1.00 47.35 C ATOM 1231 O ASP A 132 -0.022 23.308 -9.286 1.00 47.98 O ATOM 1232 CB ASP A 132 -0.625 24.674 -12.219 1.00 47.83 C ATOM 1233 CG ASP A 132 -1.825 24.890 -13.135 1.00 55.70 C ATOM 1234 OD1 ASP A 132 -2.928 25.218 -12.620 1.00 54.24 O ATOM 1235 OD2 ASP A 132 -1.653 24.778 -14.365 1.00 61.84 O ATOM 1236 H ASP A 132 -0.569 27.079 -11.331 1.00 0.00 H ATOM 1237 N LEU A 133 1.459 24.933 -9.844 1.00 42.40 N ATOM 1238 CA LEU A 133 2.557 24.379 -9.045 1.00 40.88 C ATOM 1239 C LEU A 133 2.217 24.449 -7.552 1.00 42.26 C ATOM 1240 O LEU A 133 2.340 23.439 -6.857 1.00 41.81 O ATOM 1241 CB LEU A 133 3.892 25.081 -9.367 1.00 39.35 C ATOM 1242 CG LEU A 133 5.145 24.466 -8.750 1.00 43.36 C ATOM 1243 CD1 LEU A 133 5.619 23.230 -9.545 1.00 46.27 C ATOM 1244 CD2 LEU A 133 6.251 25.488 -8.638 1.00 42.86 C ATOM 1245 H LEU A 133 1.619 25.806 -10.386 1.00 0.00 H ATOM 1246 N ALA A 134 1.743 25.621 -7.073 1.00 37.65 N ATOM 1247 CA ALA A 134 1.349 25.814 -5.678 1.00 36.30 C ATOM 1248 C ALA A 134 0.220 24.841 -5.272 1.00 41.39 C ATOM 1249 O ALA A 134 0.270 24.271 -4.177 1.00 39.58 O ATOM 1250 CB ALA A 134 0.937 27.260 -5.441 1.00 35.52 C ATOM 1251 H ALA A 134 1.654 26.424 -7.728 1.00 0.00 H ATOM 1252 N ARG A 135 -0.749 24.598 -6.186 1.00 41.78 N ATOM 1253 CA ARG A 135 -1.852 23.658 -5.986 1.00 44.08 C ATOM 1254 C ARG A 135 -1.318 22.222 -5.829 1.00 49.87 C ATOM 1255 O ARG A 135 -1.767 21.507 -4.931 1.00 51.02 O ATOM 1256 CB ARG A 135 -2.828 23.729 -7.166 1.00 47.63 C ATOM 1257 CG ARG A 135 -4.284 23.478 -6.787 1.00 58.01 C ATOM 1258 CD ARG A 135 -5.220 23.355 -7.994 1.00 60.43 C ATOM 1259 NE ARG A 135 -4.851 24.216 -9.125 1.00 57.23 N ATOM 1260 CZ ARG A 135 -5.127 25.513 -9.218 1.00 68.19 C ATOM 1261 NH1 ARG A 135 -5.767 26.136 -8.236 1.00 59.02 N ATOM 1262 NH2 ARG A 135 -4.743 26.203 -10.282 1.00 56.26 N ATOM 1263 HE ARG A 135 -4.334 23.777 -9.914 1.00 0.00 H ATOM 1264 HH12 ARG A 135 -5.980 27.151 -8.316 1.00 0.00 H ATOM 1265 HH11 ARG A 135 -6.056 25.609 -7.387 1.00 0.00 H ATOM 1266 HH22 ARG A 135 -4.961 27.218 -10.350 1.00 0.00 H ATOM 1267 HH21 ARG A 135 -4.223 25.730 -11.049 1.00 0.00 H ATOM 1268 H ARG A 135 -0.706 25.113 -7.089 1.00 0.00 H ATOM 1269 N SER A 136 -0.336 21.818 -6.673 1.00 46.54 N ATOM 1270 CA SER A 136 0.295 20.488 -6.630 1.00 48.33 C ATOM 1271 C SER A 136 1.048 20.242 -5.314 1.00 51.06 C ATOM 1272 O SER A 136 1.200 19.088 -4.907 1.00 52.23 O ATOM 1273 CB SER A 136 1.227 20.282 -7.824 1.00 52.32 C ATOM 1274 OG SER A 136 2.509 20.855 -7.620 1.00 59.11 O ATOM 1275 HG SER A 136 2.414 21.829 -7.472 1.00 0.00 H ATOM 1276 H SER A 136 -0.008 22.490 -7.396 1.00 0.00 H ATOM 1277 N TYR A 137 1.517 21.332 -4.659 1.00 44.98 N ATOM 1278 CA TYR A 137 2.231 21.309 -3.381 1.00 43.72 C ATOM 1279 C TYR A 137 1.270 21.460 -2.189 1.00 47.06 C ATOM 1280 O TYR A 137 1.692 21.281 -1.042 1.00 46.97 O ATOM 1281 CB TYR A 137 3.262 22.463 -3.307 1.00 42.62 C ATOM 1282 CG TYR A 137 4.441 22.431 -4.262 1.00 45.13 C ATOM 1283 CD1 TYR A 137 4.877 21.236 -4.831 1.00 50.17 C ATOM 1284 CD2 TYR A 137 5.191 23.579 -4.507 1.00 44.08 C ATOM 1285 CE1 TYR A 137 5.982 21.200 -5.683 1.00 52.00 C ATOM 1286 CE2 TYR A 137 6.305 23.553 -5.343 1.00 45.13 C ATOM 1287 CZ TYR A 137 6.701 22.361 -5.925 1.00 53.99 C ATOM 1288 OH TYR A 137 7.793 22.341 -6.757 1.00 53.54 O ATOM 1289 HH TYR A 137 7.939 21.419 -7.086 1.00 0.00 H ATOM 1290 H TYR A 137 1.357 22.260 -5.100 1.00 0.00 H ATOM 1291 N GLY A 138 0.023 21.853 -2.461 1.00 43.14 N ATOM 1292 CA GLY A 138 -0.979 22.112 -1.430 1.00 42.75 C ATOM 1293 C GLY A 138 -0.627 23.335 -0.597 1.00 43.41 C ATOM 1294 O GLY A 138 -0.832 23.347 0.620 1.00 42.87 O ATOM 1295 H GLY A 138 -0.248 21.981 -3.457 1.00 0.00 H ATOM 1296 N ILE A 139 -0.054 24.364 -1.245 1.00 37.90 N ATOM 1297 CA ILE A 139 0.369 25.605 -0.577 1.00 35.00 C ATOM 1298 C ILE A 139 -0.215 26.859 -1.257 1.00 35.49 C ATOM 1299 O ILE A 139 -0.493 26.824 -2.466 1.00 33.40 O ATOM 1300 CB ILE A 139 1.928 25.706 -0.414 1.00 36.97 C ATOM 1301 CG1 ILE A 139 2.637 25.996 -1.772 1.00 36.90 C ATOM 1302 CG2 ILE A 139 2.519 24.475 0.317 1.00 39.27 C ATOM 1303 CD1 ILE A 139 4.211 26.130 -1.732 1.00 39.61 C ATOM 1304 H ILE A 139 0.098 24.279 -2.270 1.00 0.00 H ATOM 1305 N PRO A 140 -0.333 27.995 -0.524 1.00 31.10 N ATOM 1306 CA PRO A 140 -0.833 29.224 -1.157 1.00 30.99 C ATOM 1307 C PRO A 140 0.198 29.829 -2.113 1.00 34.03 C ATOM 1308 O PRO A 140 1.406 29.625 -1.953 1.00 32.64 O ATOM 1309 CB PRO A 140 -1.030 30.176 0.038 1.00 31.54 C ATOM 1310 CG PRO A 140 -1.035 29.297 1.246 1.00 36.18 C ATOM 1311 CD PRO A 140 -0.077 28.217 0.912 1.00 31.52 C ATOM 1312 N PHE A 141 -0.290 30.575 -3.103 1.00 30.37 N ATOM 1313 CA PHE A 141 0.545 31.320 -4.033 1.00 29.47 C ATOM 1314 C PHE A 141 0.210 32.791 -3.893 1.00 32.30 C ATOM 1315 O PHE A 141 -0.966 33.165 -3.957 1.00 32.05 O ATOM 1316 CB PHE A 141 0.379 30.857 -5.494 1.00 32.13 C ATOM 1317 CG PHE A 141 0.992 31.799 -6.508 1.00 33.24 C ATOM 1318 CD1 PHE A 141 2.363 32.050 -6.513 1.00 33.98 C ATOM 1319 CD2 PHE A 141 0.198 32.444 -7.450 1.00 36.77 C ATOM 1320 CE1 PHE A 141 2.921 32.953 -7.417 1.00 34.75 C ATOM 1321 CE2 PHE A 141 0.761 33.327 -8.378 1.00 39.10 C ATOM 1322 CZ PHE A 141 2.114 33.590 -8.344 1.00 35.88 C ATOM 1323 H PHE A 141 -1.322 30.628 -3.217 1.00 0.00 H ATOM 1324 N ILE A 142 1.238 33.627 -3.730 1.00 27.53 N ATOM 1325 CA ILE A 142 1.036 35.079 -3.590 1.00 27.47 C ATOM 1326 C ILE A 142 1.918 35.807 -4.593 1.00 30.23 C ATOM 1327 O ILE A 142 3.129 35.594 -4.616 1.00 28.65 O ATOM 1328 CB ILE A 142 1.316 35.607 -2.146 1.00 30.02 C ATOM 1329 CG1 ILE A 142 0.708 34.693 -1.030 1.00 32.21 C ATOM 1330 CG2 ILE A 142 0.896 37.083 -1.985 1.00 30.63 C ATOM 1331 CD1 ILE A 142 -0.643 34.984 -0.473 1.00 43.65 C ATOM 1332 H ILE A 142 2.204 33.244 -3.701 1.00 0.00 H ATOM 1333 N GLU A 143 1.320 36.698 -5.379 1.00 27.88 N ATOM 1334 CA GLU A 143 2.045 37.564 -6.296 1.00 27.62 C ATOM 1335 C GLU A 143 2.470 38.795 -5.491 1.00 31.13 C ATOM 1336 O GLU A 143 1.677 39.355 -4.717 1.00 29.58 O ATOM 1337 CB GLU A 143 1.150 37.985 -7.463 1.00 30.63 C ATOM 1338 CG GLU A 143 1.496 37.260 -8.742 1.00 40.75 C ATOM 1339 CD GLU A 143 0.573 37.614 -9.888 1.00 63.53 C ATOM 1340 OE1 GLU A 143 -0.006 36.677 -10.480 1.00 70.09 O ATOM 1341 OE2 GLU A 143 0.373 38.824 -10.148 1.00 52.57 O ATOM 1342 H GLU A 143 0.284 36.780 -5.336 1.00 0.00 H ATOM 1343 N THR A 144 3.747 39.162 -5.596 1.00 27.07 N ATOM 1344 CA THR A 144 4.263 40.294 -4.835 1.00 25.42 C ATOM 1345 C THR A 144 5.095 41.229 -5.694 1.00 29.57 C ATOM 1346 O THR A 144 5.591 40.857 -6.763 1.00 29.07 O ATOM 1347 CB THR A 144 5.149 39.826 -3.646 1.00 26.67 C ATOM 1348 OG1 THR A 144 6.358 39.222 -4.126 1.00 23.85 O ATOM 1349 CG2 THR A 144 4.422 38.907 -2.660 1.00 22.18 C ATOM 1350 HG1 THR A 144 6.864 39.881 -4.664 1.00 0.00 H ATOM 1351 H THR A 144 4.383 38.635 -6.228 1.00 0.00 H ATOM 1352 N SER A 145 5.251 42.450 -5.199 1.00 26.22 N ATOM 1353 CA SER A 145 6.172 43.413 -5.759 1.00 25.98 C ATOM 1354 C SER A 145 6.861 44.068 -4.579 1.00 26.70 C ATOM 1355 O SER A 145 6.217 44.750 -3.785 1.00 26.08 O ATOM 1356 CB SER A 145 5.476 44.436 -6.648 1.00 28.52 C ATOM 1357 OG SER A 145 6.430 45.425 -7.000 1.00 31.02 O ATOM 1358 HG SER A 145 7.180 45.000 -7.487 1.00 0.00 H ATOM 1359 H SER A 145 4.685 42.727 -4.371 1.00 0.00 H ATOM 1360 N ALA A 146 8.157 43.812 -4.418 1.00 23.09 N ATOM 1361 CA ALA A 146 8.927 44.450 -3.354 1.00 22.32 C ATOM 1362 C ALA A 146 9.058 45.949 -3.702 1.00 29.01 C ATOM 1363 O ALA A 146 9.248 46.770 -2.812 1.00 29.20 O ATOM 1364 CB ALA A 146 10.290 43.809 -3.230 1.00 22.81 C ATOM 1365 H ALA A 146 8.630 43.146 -5.061 1.00 0.00 H ATOM 1366 N LYS A 147 8.905 46.296 -4.996 1.00 27.92 N ATOM 1367 CA LYS A 147 8.981 47.676 -5.466 1.00 29.28 C ATOM 1368 C LYS A 147 7.789 48.498 -4.979 1.00 33.46 C ATOM 1369 O LYS A 147 7.997 49.509 -4.312 1.00 34.91 O ATOM 1370 CB LYS A 147 9.133 47.734 -6.998 1.00 32.00 C ATOM 1371 CG LYS A 147 9.347 49.154 -7.534 1.00 43.47 C ATOM 1372 CD LYS A 147 9.700 49.144 -8.998 1.00 49.48 C ATOM 1373 CE LYS A 147 9.848 50.540 -9.556 1.00 60.05 C ATOM 1374 NZ LYS A 147 10.048 50.517 -11.030 1.00 63.73 N ATOM 1375 HZ1 LYS A 147 10.909 49.979 -11.253 1.00 0.00 H ATOM 1376 HZ2 LYS A 147 9.228 50.065 -11.483 1.00 0.00 H ATOM 1377 HZ3 LYS A 147 10.146 51.491 -11.381 1.00 0.00 H ATOM 1378 H LYS A 147 8.724 45.545 -5.692 1.00 0.00 H ATOM 1379 N THR A 148 6.557 48.062 -5.288 1.00 28.57 N ATOM 1380 CA THR A 148 5.340 48.799 -4.907 1.00 28.81 C ATOM 1381 C THR A 148 4.857 48.441 -3.502 1.00 30.50 C ATOM 1382 O THR A 148 4.022 49.164 -2.941 1.00 30.72 O ATOM 1383 CB THR A 148 4.195 48.520 -5.902 1.00 32.90 C ATOM 1384 OG1 THR A 148 3.749 47.175 -5.700 1.00 28.26 O ATOM 1385 CG2 THR A 148 4.584 48.777 -7.375 1.00 33.86 C ATOM 1386 HG1 THR A 148 3.012 46.975 -6.330 1.00 0.00 H ATOM 1387 H THR A 148 6.459 47.171 -5.816 1.00 0.00 H ATOM 1388 N ARG A 149 5.317 47.275 -2.978 1.00 24.82 N ATOM 1389 CA ARG A 149 4.929 46.670 -1.695 1.00 22.59 C ATOM 1390 C ARG A 149 3.643 45.818 -1.847 1.00 24.56 C ATOM 1391 O ARG A 149 3.161 45.250 -0.870 1.00 23.25 O ATOM 1392 CB ARG A 149 4.849 47.686 -0.526 1.00 22.61 C ATOM 1393 CG ARG A 149 5.294 47.072 0.810 1.00 26.53 C ATOM 1394 CD ARG A 149 5.253 48.039 1.994 1.00 29.94 C ATOM 1395 NE ARG A 149 5.632 47.356 3.242 1.00 21.40 N ATOM 1396 CZ ARG A 149 4.770 46.698 4.005 1.00 26.41 C ATOM 1397 NH1 ARG A 149 3.487 46.661 3.684 1.00 21.23 N ATOM 1398 NH2 ARG A 149 5.182 46.088 5.106 1.00 23.75 N ATOM 1399 HE ARG A 149 6.628 47.391 3.541 1.00 0.00 H ATOM 1400 HH12 ARG A 149 2.815 46.143 4.286 1.00 0.00 H ATOM 1401 HH11 ARG A 149 3.150 47.149 2.830 1.00 0.00 H ATOM 1402 HH22 ARG A 149 4.502 45.573 5.701 1.00 0.00 H ATOM 1403 HH21 ARG A 149 6.186 46.124 5.376 1.00 0.00 H ATOM 1404 H ARG A 149 6.018 46.755 -3.544 1.00 0.00 H ATOM 1405 N GLN A 150 3.104 45.699 -3.081 1.00 22.32 N ATOM 1406 CA GLN A 150 1.920 44.859 -3.304 1.00 22.44 C ATOM 1407 C GLN A 150 2.195 43.414 -2.836 1.00 25.04 C ATOM 1408 O GLN A 150 3.222 42.840 -3.194 1.00 23.16 O ATOM 1409 CB GLN A 150 1.522 44.843 -4.800 1.00 25.24 C ATOM 1410 CG GLN A 150 0.470 43.767 -5.120 1.00 32.67 C ATOM 1411 CD GLN A 150 0.154 43.617 -6.587 1.00 44.07 C ATOM 1412 OE1 GLN A 150 0.275 44.552 -7.374 1.00 36.87 O ATOM 1413 NE2 GLN A 150 -0.299 42.438 -6.974 1.00 41.45 N ATOM 1414 HE22 GLN A 150 -0.391 41.664 -6.285 1.00 0.00 H ATOM 1415 HE21 GLN A 150 -0.564 42.283 -7.968 1.00 0.00 H ATOM 1416 H GLN A 150 3.532 46.208 -3.881 1.00 0.00 H ATOM 1417 N GLY A 151 1.292 42.878 -2.010 1.00 23.16 N ATOM 1418 CA GLY A 151 1.348 41.495 -1.530 1.00 22.92 C ATOM 1419 C GLY A 151 2.382 41.131 -0.483 1.00 22.66 C ATOM 1420 O GLY A 151 2.434 39.971 -0.046 1.00 20.64 O ATOM 1421 H GLY A 151 0.504 43.477 -1.689 1.00 0.00 H ATOM 1422 N VAL A 152 3.240 42.087 -0.086 1.00 20.32 N ATOM 1423 CA VAL A 152 4.339 41.817 0.870 1.00 18.91 C ATOM 1424 C VAL A 152 3.813 41.316 2.217 1.00 22.29 C ATOM 1425 O VAL A 152 4.221 40.241 2.674 1.00 22.40 O ATOM 1426 CB VAL A 152 5.314 43.024 1.010 1.00 22.62 C ATOM 1427 CG1 VAL A 152 6.306 42.820 2.161 1.00 22.33 C ATOM 1428 CG2 VAL A 152 6.069 43.264 -0.306 1.00 22.15 C ATOM 1429 H VAL A 152 3.128 43.050 -0.463 1.00 0.00 H ATOM 1430 N ASP A 153 2.920 42.090 2.854 1.00 20.47 N ATOM 1431 CA ASP A 153 2.344 41.701 4.140 1.00 19.20 C ATOM 1432 C ASP A 153 1.576 40.395 3.969 1.00 22.73 C ATOM 1433 O ASP A 153 1.739 39.482 4.778 1.00 22.88 O ATOM 1434 CB ASP A 153 1.414 42.795 4.671 1.00 20.89 C ATOM 1435 CG ASP A 153 2.138 44.042 5.128 1.00 24.97 C ATOM 1436 OD1 ASP A 153 3.259 43.917 5.684 1.00 25.56 O ATOM 1437 OD2 ASP A 153 1.578 45.130 4.966 1.00 28.32 O ATOM 1438 H ASP A 153 2.630 42.990 2.421 1.00 0.00 H ATOM 1439 N ASP A 154 0.832 40.278 2.867 1.00 20.97 N ATOM 1440 CA ASP A 154 0.070 39.068 2.540 1.00 21.33 C ATOM 1441 C ASP A 154 0.971 37.820 2.544 1.00 24.36 C ATOM 1442 O ASP A 154 0.642 36.846 3.215 1.00 22.86 O ATOM 1443 CB ASP A 154 -0.643 39.214 1.192 1.00 22.98 C ATOM 1444 CG ASP A 154 -1.781 38.227 0.978 1.00 25.18 C ATOM 1445 OD1 ASP A 154 -2.014 37.386 1.873 1.00 25.95 O ATOM 1446 OD2 ASP A 154 -2.462 38.328 -0.064 1.00 24.77 O ATOM 1447 H ASP A 154 0.791 41.083 2.209 1.00 0.00 H ATOM 1448 N ALA A 155 2.119 37.869 1.848 1.00 21.20 N ATOM 1449 CA ALA A 155 3.029 36.708 1.770 1.00 21.26 C ATOM 1450 C ALA A 155 3.467 36.242 3.170 1.00 22.82 C ATOM 1451 O ALA A 155 3.368 35.047 3.499 1.00 20.20 O ATOM 1452 CB ALA A 155 4.253 37.058 0.922 1.00 21.10 C ATOM 1453 H ALA A 155 2.374 38.747 1.351 1.00 0.00 H ATOM 1454 N PHE A 156 3.932 37.195 4.007 1.00 19.99 N ATOM 1455 CA PHE A 156 4.404 36.869 5.352 1.00 19.95 C ATOM 1456 C PHE A 156 3.280 36.455 6.315 1.00 24.31 C ATOM 1457 O PHE A 156 3.447 35.484 7.054 1.00 24.29 O ATOM 1458 CB PHE A 156 5.235 38.024 5.917 1.00 21.04 C ATOM 1459 CG PHE A 156 6.615 38.111 5.295 1.00 21.40 C ATOM 1460 CD1 PHE A 156 7.677 37.369 5.812 1.00 22.98 C ATOM 1461 CD2 PHE A 156 6.850 38.929 4.195 1.00 21.40 C ATOM 1462 CE1 PHE A 156 8.959 37.462 5.248 1.00 23.19 C ATOM 1463 CE2 PHE A 156 8.135 39.040 3.647 1.00 23.83 C ATOM 1464 CZ PHE A 156 9.178 38.298 4.172 1.00 21.94 C ATOM 1465 H PHE A 156 3.955 38.184 3.687 1.00 0.00 H ATOM 1466 N TYR A 157 2.163 37.183 6.307 1.00 21.38 N ATOM 1467 CA TYR A 157 1.007 36.902 7.177 1.00 21.77 C ATOM 1468 C TYR A 157 0.387 35.563 6.808 1.00 25.15 C ATOM 1469 O TYR A 157 0.065 34.785 7.705 1.00 24.57 O ATOM 1470 CB TYR A 157 -0.039 38.022 7.104 1.00 22.89 C ATOM 1471 CG TYR A 157 0.347 39.342 7.753 1.00 24.14 C ATOM 1472 CD1 TYR A 157 1.671 39.624 8.085 1.00 24.78 C ATOM 1473 CD2 TYR A 157 -0.610 40.319 8.007 1.00 25.35 C ATOM 1474 CE1 TYR A 157 2.030 40.839 8.669 1.00 25.61 C ATOM 1475 CE2 TYR A 157 -0.262 41.540 8.584 1.00 26.05 C ATOM 1476 CZ TYR A 157 1.060 41.802 8.901 1.00 31.42 C ATOM 1477 OH TYR A 157 1.403 42.997 9.486 1.00 30.97 O ATOM 1478 HH TYR A 157 1.148 43.742 8.886 1.00 0.00 H ATOM 1479 H TYR A 157 2.104 37.990 5.654 1.00 0.00 H ATOM 1480 N THR A 158 0.276 35.270 5.494 1.00 22.73 N ATOM 1481 CA THR A 158 -0.258 33.978 5.004 1.00 24.18 C ATOM 1482 C THR A 158 0.614 32.846 5.544 1.00 28.12 C ATOM 1483 O THR A 158 0.077 31.857 6.058 1.00 28.65 O ATOM 1484 CB THR A 158 -0.378 33.964 3.474 1.00 27.58 C ATOM 1485 OG1 THR A 158 -1.352 34.941 3.094 1.00 26.21 O ATOM 1486 CG2 THR A 158 -0.785 32.598 2.920 1.00 29.49 C ATOM 1487 HG1 THR A 158 -1.060 35.834 3.405 1.00 0.00 H ATOM 1488 H THR A 158 0.578 35.981 4.798 1.00 0.00 H ATOM 1489 N LEU A 159 1.953 33.015 5.471 1.00 24.86 N ATOM 1490 CA LEU A 159 2.891 32.023 5.995 1.00 25.06 C ATOM 1491 C LEU A 159 2.654 31.788 7.476 1.00 28.63 C ATOM 1492 O LEU A 159 2.617 30.638 7.898 1.00 29.82 O ATOM 1493 CB LEU A 159 4.361 32.400 5.716 1.00 23.84 C ATOM 1494 CG LEU A 159 5.421 31.343 6.113 1.00 29.22 C ATOM 1495 CD1 LEU A 159 5.152 29.985 5.448 1.00 30.13 C ATOM 1496 CD2 LEU A 159 6.823 31.828 5.797 1.00 28.26 C ATOM 1497 H LEU A 159 2.328 33.878 5.028 1.00 0.00 H ATOM 1498 N VAL A 160 2.448 32.866 8.253 1.00 25.61 N ATOM 1499 CA VAL A 160 2.158 32.764 9.694 1.00 27.15 C ATOM 1500 C VAL A 160 0.888 31.922 9.929 1.00 33.23 C ATOM 1501 O VAL A 160 0.901 31.025 10.775 1.00 35.25 O ATOM 1502 CB VAL A 160 2.099 34.154 10.379 1.00 30.07 C ATOM 1503 CG1 VAL A 160 1.510 34.065 11.788 1.00 31.66 C ATOM 1504 CG2 VAL A 160 3.484 34.804 10.406 1.00 28.29 C ATOM 1505 H VAL A 160 2.495 33.810 7.819 1.00 0.00 H ATOM 1506 N ARG A 161 -0.177 32.174 9.136 1.00 29.49 N ATOM 1507 CA ARG A 161 -1.446 31.435 9.236 1.00 30.74 C ATOM 1508 C ARG A 161 -1.269 29.957 8.900 1.00 33.86 C ATOM 1509 O ARG A 161 -1.913 29.111 9.523 1.00 35.48 O ATOM 1510 CB ARG A 161 -2.542 32.081 8.367 1.00 30.18 C ATOM 1511 CG ARG A 161 -2.889 33.486 8.833 1.00 31.32 C ATOM 1512 CD ARG A 161 -4.116 34.054 8.140 1.00 39.39 C ATOM 1513 NE ARG A 161 -4.303 35.439 8.563 1.00 37.15 N ATOM 1514 CZ ARG A 161 -3.962 36.495 7.841 1.00 42.81 C ATOM 1515 NH1 ARG A 161 -4.116 37.716 8.331 1.00 31.68 N ATOM 1516 NH2 ARG A 161 -3.471 36.341 6.617 1.00 29.35 N ATOM 1517 HE ARG A 161 -4.733 35.607 9.495 1.00 0.00 H ATOM 1518 HH12 ARG A 161 -3.847 38.543 7.761 1.00 0.00 H ATOM 1519 HH11 ARG A 161 -4.506 37.848 9.286 1.00 0.00 H ATOM 1520 HH22 ARG A 161 -3.205 37.174 6.055 1.00 0.00 H ATOM 1521 HH21 ARG A 161 -3.352 35.387 6.221 1.00 0.00 H ATOM 1522 H ARG A 161 -0.096 32.925 8.422 1.00 0.00 H ATOM 1523 N GLU A 162 -0.363 29.647 7.943 1.00 29.89 N ATOM 1524 CA GLU A 162 -0.017 28.270 7.562 1.00 30.86 C ATOM 1525 C GLU A 162 0.658 27.578 8.754 1.00 36.24 C ATOM 1526 O GLU A 162 0.367 26.409 9.027 1.00 37.67 O ATOM 1527 CB GLU A 162 0.906 28.254 6.324 1.00 30.63 C ATOM 1528 CG GLU A 162 0.209 28.671 5.030 1.00 35.91 C ATOM 1529 CD GLU A 162 -0.941 27.772 4.615 1.00 46.77 C ATOM 1530 OE1 GLU A 162 -0.688 26.601 4.256 1.00 38.70 O ATOM 1531 OE2 GLU A 162 -2.103 28.224 4.698 1.00 39.87 O ATOM 1532 H GLU A 162 0.115 30.427 7.449 1.00 0.00 H ATOM 1533 N ILE A 163 1.524 28.320 9.493 1.00 32.37 N ATOM 1534 CA ILE A 163 2.196 27.790 10.697 1.00 33.34 C ATOM 1535 C ILE A 163 1.160 27.483 11.792 1.00 40.16 C ATOM 1536 O ILE A 163 1.171 26.379 12.348 1.00 40.73 O ATOM 1537 CB ILE A 163 3.353 28.704 11.183 1.00 34.35 C ATOM 1538 CG1 ILE A 163 4.461 28.802 10.104 1.00 32.21 C ATOM 1539 CG2 ILE A 163 3.936 28.210 12.525 1.00 37.23 C ATOM 1540 CD1 ILE A 163 5.474 29.914 10.320 1.00 30.68 C ATOM 1541 H ILE A 163 1.721 29.298 9.200 1.00 0.00 H ATOM 1542 N ARG A 164 0.253 28.448 12.068 1.00 37.88 N ATOM 1543 CA ARG A 164 -0.837 28.310 13.049 1.00 41.01 C ATOM 1544 C ARG A 164 -1.698 27.077 12.736 1.00 48.47 C ATOM 1545 O ARG A 164 -2.066 26.335 13.653 1.00 49.62 O ATOM 1546 CB ARG A 164 -1.728 29.558 13.039 1.00 40.41 C ATOM 1547 CG ARG A 164 -1.082 30.804 13.614 1.00 48.41 C ATOM 1548 CD ARG A 164 -2.051 31.949 13.482 1.00 54.32 C ATOM 1549 NE ARG A 164 -1.571 33.179 14.103 1.00 56.43 N ATOM 1550 CZ ARG A 164 -2.153 34.362 13.940 1.00 70.13 C ATOM 1551 NH1 ARG A 164 -3.224 34.482 13.162 1.00 61.89 N ATOM 1552 NH2 ARG A 164 -1.665 35.436 14.543 1.00 53.17 N ATOM 1553 HE ARG A 164 -0.726 33.127 14.707 1.00 0.00 H ATOM 1554 HH12 ARG A 164 -3.675 35.411 13.038 1.00 0.00 H ATOM 1555 HH11 ARG A 164 -3.611 33.647 12.677 1.00 0.00 H ATOM 1556 HH22 ARG A 164 -2.124 36.360 14.412 1.00 0.00 H ATOM 1557 HH21 ARG A 164 -0.822 35.355 15.147 1.00 0.00 H ATOM 1558 H ARG A 164 0.331 29.348 11.553 1.00 0.00 H ATOM 1559 N LYS A 165 -2.000 26.857 11.436 1.00 46.36 N ATOM 1560 CA LYS A 165 -2.776 25.709 10.961 1.00 49.49 C ATOM 1561 C LYS A 165 -2.041 24.399 11.233 1.00 57.68 C ATOM 1562 O LYS A 165 -2.649 23.454 11.739 1.00 59.94 O ATOM 1563 CB LYS A 165 -3.080 25.839 9.463 1.00 50.99 C ATOM 1564 CG LYS A 165 -4.327 26.653 9.160 1.00 66.02 C ATOM 1565 CD LYS A 165 -4.863 26.329 7.771 1.00 76.70 C ATOM 1566 CE LYS A 165 -4.415 27.320 6.730 1.00 82.76 C ATOM 1567 NZ LYS A 165 -4.492 26.753 5.358 1.00 90.56 N ATOM 1568 HZ1 LYS A 165 -3.880 25.914 5.296 1.00 0.00 H ATOM 1569 HZ2 LYS A 165 -5.475 26.483 5.151 1.00 0.00 H ATOM 1570 HZ3 LYS A 165 -4.175 27.467 4.671 1.00 0.00 H ATOM 1571 H LYS A 165 -1.661 27.544 10.732 1.00 0.00 H ATOM 1572 N HIS A 166 -0.726 24.359 10.923 1.00 55.04 N ATOM 1573 CA HIS A 166 0.140 23.194 11.116 1.00 57.18 C ATOM 1574 C HIS A 166 0.194 22.752 12.585 1.00 63.54 C ATOM 1575 O HIS A 166 0.268 21.550 12.851 1.00 65.82 O ATOM 1576 CB HIS A 166 1.545 23.471 10.564 1.00 56.35 C ATOM 1577 CG HIS A 166 2.403 22.251 10.458 1.00 61.98 C ATOM 1578 ND1 HIS A 166 3.176 21.817 11.524 1.00 65.48 N ATOM 1579 CD2 HIS A 166 2.580 21.405 9.417 1.00 64.66 C ATOM 1580 CE1 HIS A 166 3.794 20.727 11.099 1.00 66.28 C ATOM 1581 NE2 HIS A 166 3.465 20.437 9.840 1.00 66.21 N ATOM 1582 H HIS A 166 -0.299 25.217 10.519 1.00 0.00 H ATOM 1583 N LYS A 167 0.129 23.715 13.531 1.00 58.98 N ATOM 1584 CA LYS A 167 0.135 23.428 14.968 1.00 75.14 C ATOM 1585 C LYS A 167 -1.122 23.944 15.667 1.00108.08 C ATOM 1586 O LYS A 167 -2.177 23.321 15.571 1.00 73.85 O ATOM 1587 CB LYS A 167 1.422 23.932 15.646 1.00 75.89 C ATOM 1588 CG LYS A 167 1.640 25.437 15.603 1.00 77.56 C ATOM 1589 CD LYS A 167 3.058 25.784 16.007 1.00 81.22 C ATOM 1590 CE LYS A 167 3.295 27.270 16.034 1.00 83.26 C ATOM 1591 NZ LYS A 167 2.868 27.888 17.316 1.00 89.87 N ATOM 1592 HZ1 LYS A 167 1.851 27.722 17.458 1.00 0.00 H ATOM 1593 HZ2 LYS A 167 3.403 27.462 18.100 1.00 0.00 H ATOM 1594 HZ3 LYS A 167 3.052 28.911 17.284 1.00 0.00 H ATOM 1595 H LYS A 167 0.072 24.707 13.224 1.00 0.00 H TER 1596 LYS A 167 HETATM 1597 MG MG A 1 19.483 39.116 -0.560 1.00 26.79 MG HETATM 1598 O HOH 2 18.595 41.698 4.003 1.00 32.09 O HETATM 1599 O HOH 3 10.044 47.017 11.890 1.00 46.98 O HETATM 1600 O HOH 4 24.635 38.130 10.565 1.00 55.33 O HETATM 1601 O HOH 5 19.688 45.253 6.528 1.00 42.80 O HETATM 1602 O HOH 6 1.547 47.090 6.765 1.00 35.96 O HETATM 1603 O HOH 7 -0.655 45.438 3.542 1.00 35.30 O HETATM 1604 O HOH 8 19.764 44.231 -2.398 1.00 29.21 O HETATM 1605 O HOH 9 6.170 49.693 11.468 1.00 41.46 O HETATM 1606 O HOH 10 20.900 40.943 3.051 1.00 39.05 O HETATM 1607 O HOH 11 -0.968 39.596 -4.362 1.00 37.51 O HETATM 1608 O HOH 12 20.216 40.732 -1.365 1.00 28.49 O HETATM 1609 O HOH 13 20.820 35.871 12.651 1.00 40.22 O HETATM 1610 O HOH 14 18.719 37.458 0.294 1.00 26.50 O HETATM 1611 O HOH 15 5.412 29.570 16.864 1.00 48.99 O HETATM 1612 O HOH 16 13.821 30.828 -6.904 1.00 30.87 O HETATM 1613 O HOH 17 -3.210 30.628 5.219 1.00 50.56 O HETATM 1614 O HOH 18 1.103 35.919 20.390 1.00 60.77 O HETATM 1615 O HOH 19 1.810 25.838 3.576 1.00 36.87 O HETATM 1616 O HOH 20 22.136 42.617 1.478 1.00 39.66 O HETATM 1617 O HOH 21 1.879 46.714 -7.619 1.00 47.93 O HETATM 1618 O HOH 22 13.300 53.351 -1.752 1.00 28.85 O HETATM 1619 O HOH 23 18.894 51.732 -10.426 1.00 65.06 O HETATM 1620 O HOH 24 13.102 46.508 -0.241 1.00 24.11 O HETATM 1621 O HOH 25 3.736 48.549 7.303 1.00 62.04 O HETATM 1622 O HOH 26 3.761 43.808 8.420 1.00 30.51 O HETATM 1623 O HOH 27 12.059 26.099 15.632 1.00 51.31 O HETATM 1624 O HOH 28 -3.567 34.381 4.565 1.00 36.11 O HETATM 1625 O HOH 29 -2.478 38.081 4.779 1.00 29.43 O HETATM 1626 O HOH 30 11.754 45.947 13.676 1.00 44.65 O HETATM 1627 O HOH 31 -2.850 26.491 -3.780 1.00 51.77 O HETATM 1628 O HOH 32 14.297 39.025 -12.136 1.00 33.47 O HETATM 1629 O HOH 33 -4.424 24.842 15.332 1.00 77.71 O HETATM 1630 O HOH 34 -0.448 44.859 10.223 1.00 42.49 O HETATM 1631 O HOH 35 -4.312 21.953 14.566 1.00 73.06 O HETATM 1632 O HOH 36 19.096 28.889 -7.331 1.00 50.58 O HETATM 1633 O HOH 37 24.583 40.250 8.938 1.00 50.14 O HETATM 1634 O HOH 38 6.573 24.525 11.525 1.00 42.32 O HETATM 1635 O HOH 39 0.862 29.651 16.490 1.00 49.32 O HETATM 1636 O HOH 40 4.266 22.069 2.181 1.00 51.19 O HETATM 1637 O HOH 41 26.451 35.607 -0.723 1.00 57.96 O HETATM 1638 O HOH 42 25.777 44.397 -7.048 1.00 29.38 O HETATM 1639 O HOH 43 23.595 35.672 -2.033 1.00 47.26 O HETATM 1640 O HOH 44 24.487 39.499 4.538 1.00 32.37 O HETATM 1641 O HOH 45 16.518 18.674 -5.761 1.00 63.73 O HETATM 1642 O HOH 46 -3.228 41.985 20.258 1.00 58.84 O HETATM 1643 O HOH 47 14.986 36.945 -16.180 1.00 42.27 O HETATM 1644 O HOH 48 23.753 29.527 13.614 1.00 47.13 O HETATM 1645 O HOH 49 17.589 34.869 -10.259 1.00 57.72 O HETATM 1646 O HOH 50 -2.780 27.623 -6.272 1.00 55.74 O HETATM 1647 O HOH 51 0.857 24.751 -15.479 1.00 62.27 O HETATM 1648 O HOH 52 18.025 28.038 1.015 1.00 33.05 O HETATM 1649 O HOH 53 16.526 52.170 -2.580 1.00 49.63 O HETATM 1650 O HOH 54 -1.943 40.465 -1.727 1.00 34.66 O HETATM 1651 O HOH 55 15.646 47.786 -8.772 1.00 40.46 O HETATM 1652 O HOH 56 12.570 34.320 -18.028 1.00 46.37 O HETATM 1653 O HOH 57 -1.003 43.899 -9.745 1.00 53.36 O HETATM 1654 O HOH 58 1.885 44.649 1.517 1.00 21.82 O HETATM 1655 O HOH 59 10.105 24.390 -9.800 1.00 38.14 O HETATM 1656 O HOH 60 18.307 42.811 12.271 1.00 43.66 O HETATM 1657 O HOH 61 2.900 24.370 -12.954 1.00 59.05 O HETATM 1658 O HOH 62 22.011 29.948 2.699 1.00 51.74 O HETATM 1659 O HOH 63 9.011 45.251 16.436 1.00 49.50 O HETATM 1660 O HOH 64 -1.810 21.254 -9.960 1.00 57.39 O HETATM 1661 O HOH 65 17.841 32.814 -12.202 1.00 47.89 O HETATM 1662 O HOH 66 -5.096 42.069 13.509 1.00 52.56 O HETATM 1663 O HOH 67 -4.546 28.106 -12.342 1.00 64.91 O HETATM 1664 O HOH 68 20.685 21.639 13.207 1.00 46.61 O HETATM 1665 O HOH 69 15.142 43.257 -11.085 1.00 39.74 O HETATM 1666 O HOH 70 11.637 38.647 -18.859 1.00 44.35 O HETATM 1667 O HOH 71 4.555 48.205 9.833 1.00 73.76 O HETATM 1668 O HOH 72 7.214 50.877 0.421 1.00 39.74 O HETATM 1669 O HOH 73 17.930 30.573 -0.482 1.00 26.94 O HETATM 1670 O HOH 74 -2.182 39.317 21.187 1.00 49.25 O HETATM 1671 O HOH 75 -3.272 32.885 -5.620 1.00 53.68 O HETATM 1672 O HOH 76 4.708 51.305 -1.172 1.00 25.38 O HETATM 1673 O HOH 77 14.703 45.867 -10.526 1.00 55.94 O HETATM 1674 O HOH 78 -0.025 45.211 20.137 1.00 54.73 O HETATM 1675 O HOH 79 -3.158 30.561 -3.289 1.00 43.92 O HETATM 1676 O HOH 80 15.496 36.865 -10.592 1.00 33.84 O HETATM 1677 O HOH 81 23.248 47.489 -7.217 1.00 37.65 O HETATM 1678 O HOH 82 13.070 15.951 -1.023 1.00 68.62 O HETATM 1679 O HOH 83 17.215 39.993 -11.357 1.00 50.82 O HETATM 1680 O HOH 84 21.583 38.807 11.187 1.00 37.34 O HETATM 1681 O HOH 85 22.785 31.235 7.139 1.00 40.62 O HETATM 1682 O HOH 86 22.038 32.119 4.336 1.00 43.74 O HETATM 1683 O HOH 87 6.508 46.987 14.649 1.00 46.54 O HETATM 1684 O HOH 88 18.745 23.691 13.896 1.00 49.74 O HETATM 1685 O HOH 89 8.162 12.226 6.503 1.00 66.89 O HETATM 1686 O HOH 90 0.032 42.642 1.292 1.00 29.06 O HETATM 1687 O HOH 91 15.675 17.269 13.053 1.00 67.59 O HETATM 1688 O HOH 92 -1.630 37.055 -5.343 1.00 39.00 O HETATM 1689 O HOH 93 27.999 26.226 6.037 1.00 63.76 O HETATM 1690 O HOH 94 0.179 38.459 22.289 1.00 60.05 O HETATM 1691 O HOH 95 -2.856 34.516 -8.170 1.00 62.95 O HETATM 1692 O HOH 96 20.703 39.558 13.661 1.00 57.55 O HETATM 1693 O HOH 97 -0.164 44.672 7.393 1.00137.74 O HETATM 1694 O HOH 98 0.988 45.150 12.659 1.00 32.83 O HETATM 1695 O HOH 99 14.508 42.404 -13.585 1.00 41.19 O HETATM 1696 O HOH 100 -0.215 35.661 -16.135 1.00 55.83 O HETATM 1697 O HOH 101 20.832 41.924 10.001 1.00 53.27 O HETATM 1698 O HOH 102 0.900 48.267 3.396 1.00130.28 O HETATM 1699 O HOH 103 2.137 45.963 9.193 1.00149.52 O HETATM 1700 O HOH 104 15.288 43.773 13.242 1.00 43.81 O HETATM 1701 O HOH 105 20.851 30.977 -7.554 1.00 54.82 O HETATM 1702 O HOH 106 18.127 37.473 -10.776 1.00 44.13 O HETATM 1703 O HOH 107 14.761 32.880 -17.254 1.00 54.16 O HETATM 1704 O HOH 108 1.431 23.179 6.260 1.00 65.83 O HETATM 1705 O HOH 109 -3.960 32.105 -15.433 1.00 63.89 O HETATM 1706 O HOH 110 9.301 19.801 -4.832 1.00 55.04 O HETATM 1707 O HOH 111 -3.257 33.117 -1.577 1.00 52.57 O HETATM 1708 O HOH 112 2.201 49.646 5.369 1.00 58.96 O HETATM 1709 O HOH 113 7.513 21.667 9.908 1.00 55.10 O HETATM 1710 O HOH 114 3.276 46.522 11.617 1.00 49.19 O HETATM 1711 O HOH 115 3.328 45.978 -15.655 1.00 63.52 O HETATM 1712 O HOH 116 26.234 39.615 6.881 1.00 45.76 O HETATM 1713 O HOH 117 26.131 25.233 10.945 1.00 65.21 O HETATM 1714 O HOH 118 12.852 40.961 -18.063 1.00 45.24 O HETATM 1715 O HOH 119 13.349 20.047 11.389 1.00 59.82 O HETATM 1716 O HOH 120 20.315 24.132 16.501 1.00 58.09 O HETATM 1717 O HOH 121 2.062 21.830 -11.722 1.00 58.21 O HETATM 1718 O HOH 122 24.204 29.955 -1.639 1.00 49.95 O HETATM 1719 O HOH 123 11.019 42.925 -16.920 1.00 53.32 O HETATM 1720 O HOH 124 -4.747 31.599 11.542 1.00 52.63 O HETATM 1721 O HOH 125 18.105 42.464 -10.820 1.00 45.96 O HETATM 1722 O HOH 126 -9.506 39.880 16.023 1.00 72.95 O HETATM 1723 O HOH 127 10.860 23.416 14.412 1.00 71.48 O HETATM 1724 O HOH 128 15.733 15.433 -1.387 1.00 63.77 O HETATM 1725 O HOH 129 19.994 44.536 0.346 1.00 29.57 O HETATM 1726 O HOH 130 -5.186 27.460 15.579 1.00 62.84 O HETATM 1727 O HOH 131 2.323 49.747 1.491 1.00135.31 O HETATM 1728 O HOH 132 25.325 31.509 6.169 1.00 57.79 O HETATM 1729 O HOH 133 8.636 22.665 -11.297 1.00 61.20 O HETATM 1730 O HOH 134 13.625 44.328 -15.824 1.00 49.06 O HETATM 1731 O HOH 135 15.496 44.242 15.930 1.00 54.03 O HETATM 1732 O HOH 136 2.096 47.400 14.701 1.00183.24 O HETATM 1733 O HOH 137 28.381 37.495 -0.931 1.00 52.66 O HETATM 1734 O HOH 138 2.328 50.588 8.658 1.00 39.31 O HETATM 1735 O HOH 139 4.382 48.502 13.139 1.00 47.84 O HETATM 1736 O HOH 140 -0.575 47.080 13.890 1.00 35.47 O HETATM 1737 O HOH 141 25.999 27.378 -1.132 1.00 57.74 O HETATM 1738 O HOH 142 15.141 31.242 -19.628 1.00 65.68 O HETATM 1739 O HOH 143 0.392 48.060 11.117 1.00143.09 O HETATM 1740 C4 EZZ A 144 20.599 31.984 11.636 1.00 -0.02 C HETATM 1741 C5 EZZ A 144 19.947 31.174 12.560 1.00 -0.00 C HETATM 1742 C6 EZZ A 144 20.144 29.805 12.535 1.00 0.04 C HETATM 1743 C1 EZZ A 144 20.954 29.218 11.564 1.00 -0.06 C HETATM 1744 C2 EZZ A 144 21.586 30.022 10.630 1.00 -0.03 C HETATM 1745 C3 EZZ A 144 21.408 31.402 10.669 1.00 0.09 C HETATM 1746 O22 EZZ A 144 22.056 32.208 9.794 1.00 -0.33 O HETATM 1747 H20 EZZ A 144 21.819 33.112 9.963 1.00 0.25 H HETATM 1748 H13 EZZ A 144 22.218 29.577 9.870 1.00 0.05 H HETATM 1749 H9 EZZ A 144 21.088 28.143 11.540 1.00 0.06 H HETATM 1750 C9 EZZ A 144 19.352 29.202 13.625 1.00 0.20 C HETATM 1751 N8 EZZ A 144 18.712 30.215 14.234 1.00 -0.27 N HETATM 1752 C7 EZZ A 144 18.988 31.525 13.656 1.00 0.09 C HETATM 1753 C11 EZZ A 144 17.733 32.230 13.176 1.00 -0.01 C HETATM 1754 C15 EZZ A 144 16.701 31.665 12.339 1.00 -0.03 C HETATM 1755 C14 EZZ A 144 15.699 32.649 12.215 1.00 0.06 C HETATM 1756 C17 EZZ A 144 14.554 32.441 11.449 1.00 -0.05 C HETATM 1757 C18 EZZ A 144 14.413 31.222 10.794 1.00 -0.08 C HETATM 1758 C19 EZZ A 144 15.380 30.231 10.920 1.00 -0.08 C HETATM 1759 C16 EZZ A 144 16.533 30.453 11.669 1.00 -0.08 C HETATM 1760 H10 EZZ A 144 17.297 29.687 11.731 1.00 0.05 H HETATM 1761 H12 EZZ A 144 15.235 29.275 10.430 1.00 0.05 H HETATM 1762 H11 EZZ A 144 13.539 31.043 10.178 1.00 0.05 H HETATM 1763 H3 EZZ A 144 13.793 33.209 11.366 1.00 0.05 H HETATM 1764 N13 EZZ A 144 16.098 33.752 12.948 1.00 -0.28 N HETATM 1765 C12 EZZ A 144 17.325 33.489 13.516 1.00 0.09 C HETATM 1766 C20 EZZ A 144 17.974 34.465 14.452 1.00 0.02 C HETATM 1767 N21 EZZ A 144 17.236 34.646 15.707 1.00 0.24 N HETATM 1768 C24 EZZ A 144 17.230 33.411 16.497 1.00 -0.04 C HETATM 1769 H6 EZZ A 144 16.671 33.575 17.430 1.00 0.08 H HETATM 1770 H7 EZZ A 144 18.265 33.123 16.735 1.00 0.08 H HETATM 1771 H8 EZZ A 144 16.750 32.608 15.919 1.00 0.08 H HETATM 1772 C23 EZZ A 144 17.805 35.740 16.490 1.00 -0.04 C HETATM 1773 H14 EZZ A 144 17.805 36.661 15.888 1.00 0.08 H HETATM 1774 H15 EZZ A 144 18.837 35.489 16.775 1.00 0.08 H HETATM 1775 H16 EZZ A 144 17.202 35.895 17.397 1.00 0.08 H HETATM 1776 H18 EZZ A 144 16.282 34.881 15.480 1.00 0.20 H HETATM 1777 H4 EZZ A 144 18.046 35.439 13.946 1.00 0.10 H HETATM 1778 H5 EZZ A 144 18.984 34.101 14.691 1.00 0.10 H HETATM 1779 H17 EZZ A 144 15.565 34.627 13.052 1.00 0.22 H HETATM 1780 H2 EZZ A 144 19.480 32.174 14.396 1.00 0.08 H HETATM 1781 H19 EZZ A 144 18.101 30.082 15.014 1.00 0.19 H HETATM 1782 O10 EZZ A 144 19.256 28.013 13.909 1.00 -0.39 O HETATM 1783 H1 EZZ A 144 20.477 33.060 11.671 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 147 146 148 1597 CONECT 321 320 323 1597 CONECT 557 558 564 565 566 CONECT 564 557 CONECT 565 557 CONECT 566 557 CONECT 1597 147 321 CONECT 1740 1741 1745 1783 CONECT 1741 1740 1742 1752 CONECT 1742 1741 1743 1750 CONECT 1743 1742 1744 1749 CONECT 1744 1743 1745 1748 CONECT 1745 1740 1744 1746 CONECT 1746 1745 1747 CONECT 1747 1746 CONECT 1748 1744 CONECT 1749 1743 CONECT 1750 1742 1751 1782 CONECT 1751 1750 1752 1781 CONECT 1752 1741 1751 1753 1780 CONECT 1753 1752 1754 1765 CONECT 1754 1753 1755 1759 CONECT 1755 1754 1756 1764 CONECT 1756 1755 1757 1763 CONECT 1757 1756 1758 1762 CONECT 1758 1757 1759 1761 CONECT 1759 1754 1758 1760 CONECT 1760 1759 CONECT 1761 1758 CONECT 1762 1757 CONECT 1763 1756 CONECT 1764 1755 1765 1779 CONECT 1765 1753 1764 1766 CONECT 1766 1765 1767 1777 1778 CONECT 1767 1766 1768 1772 1776 CONECT 1768 1767 1769 1770 1771 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1768 CONECT 1772 1767 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1767 CONECT 1777 1766 CONECT 1778 1766 CONECT 1779 1764 CONECT 1780 1752 CONECT 1781 1751 CONECT 1782 1750 CONECT 1783 1740 MASTER 0 0 0 0 0 0 0 0 1781 2 55 13 END
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Structure:
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Related entries of code: 6gj6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
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PDBbind
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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
6gj6
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
KRAS G12D
Ligand Name
EZZ
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 15823-15829
Ligand Properties
Formula
C
1
9
H
2
0
N
3
O
2
Molecular Weight
322.381
Exact Mass
322.156
No. of atoms
44
No. of bonds
47
Polar Surface Area
69.56
LOGP Value
2.11 (
Computed with XLOGP3
)
1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
C[NH+](Cc1[nH]c2c(c1[C@H]1NC(=O)c3c1cc(O)cc3)cccc2)C
InChI String
InChI=1S/C19H19N3O2/c1-22(2)10-16-17(13-5-3-4-6-15(13)20-16)18-14-9-11(23)7-8-12(14)19(24)21-18/h3-9,18,20,23H,10H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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