Browse entries in the PDBbind-CN Database
HEADER 5WZU_COMPLEX COMPND 5WZU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASN LEU VAL GLN PHE GLY VAL MET ILE GLU LYS MET THR SEQRES 2 A 123 GLY LYS SER ALA LEU GLN TYR ASN ASP TYR GLY CYS TYR SEQRES 3 A 123 CYS GLY ILE GLY GLY SER HIS TRP PRO VAL ASP GLN THR SEQRES 4 A 123 ASP TRP CYS CYS HIS ALA HIS ASP CYS CYS TYR GLY ARG SEQRES 5 A 123 LEU GLU LYS LEU GLY CYS GLU PRO LYS LEU GLU LYS TYR SEQRES 6 A 123 LEU PHE SER VAL SER GLU ARG GLY ILE PHE CYS ALA GLY SEQRES 7 A 123 ARG THR THR CYS GLN ARG LEU THR CYS GLU CYS ASP LYS SEQRES 8 A 123 ARG ALA ALA LEU CYS PHE ARG ARG ASN LEU GLY THR TYR SEQRES 9 A 123 ASN ARG LYS TYR ALA HIS TYR PRO ASN LYS LEU CYS THR SEQRES 10 A 123 GLY PRO THR PRO PRO CYS HET CA A 1 1 HET UNN A 216 47 SSBOND 1 CYS A 27 CYS A 43 SSBOND 2 CYS A 58 CYS A 82 SSBOND 3 CYS A 76 CYS A 87 SSBOND 4 CYS A 49 CYS A 89 SSBOND 5 CYS A 42 CYS A 96 SSBOND 6 CYS A 25 CYS A 116 SSBOND 7 CYS A 48 CYS A 123 ATOM 1 N ASN A 1 14.950 19.238 2.961 1.00 78.53 N ATOM 2 CA ASN A 1 13.654 18.731 2.376 1.00 79.24 C ATOM 3 C ASN A 1 12.646 18.371 3.469 1.00 75.53 C ATOM 4 O ASN A 1 12.168 17.226 3.584 1.00 64.84 O ATOM 5 CB ASN A 1 13.918 17.551 1.439 1.00 81.11 C ATOM 6 CG ASN A 1 14.694 17.964 0.196 1.00 80.86 C ATOM 7 OD1 ASN A 1 15.249 19.068 0.138 1.00 71.77 O ATOM 8 ND2 ASN A 1 14.728 17.083 -0.812 1.00 81.11 N ATOM 9 HD22 ASN A 1 14.246 16.166 -0.718 1.00 0.00 H ATOM 10 HD21 ASN A 1 15.236 17.316 -1.689 1.00 0.00 H ATOM 11 HN3 ASN A 1 15.368 18.501 3.565 1.00 0.00 H ATOM 12 HN2 ASN A 1 14.763 20.089 3.529 1.00 0.00 H ATOM 13 HN1 ASN A 1 15.609 19.472 2.191 1.00 0.00 H ATOM 14 N LEU A 2 12.320 19.410 4.235 1.00 74.17 N ATOM 15 CA LEU A 2 11.693 19.287 5.547 1.00 75.93 C ATOM 16 C LEU A 2 10.311 19.994 5.639 1.00 69.14 C ATOM 17 O LEU A 2 9.862 20.362 6.736 1.00 57.55 O ATOM 18 CB LEU A 2 12.682 19.821 6.603 1.00 80.82 C ATOM 19 CG LEU A 2 12.819 19.029 7.914 1.00 82.34 C ATOM 20 CD1 LEU A 2 13.277 17.577 7.712 1.00 81.74 C ATOM 21 CD2 LEU A 2 13.776 19.789 8.817 1.00 81.38 C ATOM 22 H LEU A 2 12.524 20.365 3.877 1.00 0.00 H ATOM 23 N VAL A 3 9.629 20.122 4.491 1.00 65.03 N ATOM 24 CA VAL A 3 8.297 20.763 4.407 1.00 56.52 C ATOM 25 C VAL A 3 7.239 19.853 5.056 1.00 46.34 C ATOM 26 O VAL A 3 6.456 20.311 5.893 1.00 43.44 O ATOM 27 CB VAL A 3 7.897 21.122 2.939 1.00 62.81 C ATOM 28 CG1 VAL A 3 6.570 21.896 2.891 1.00 61.06 C ATOM 29 CG2 VAL A 3 8.999 21.950 2.256 1.00 67.48 C ATOM 30 H VAL A 3 10.057 19.753 3.618 1.00 0.00 H ATOM 31 N GLN A 4 7.265 18.562 4.706 1.00 40.47 N ATOM 32 CA GLN A 4 6.294 17.573 5.219 1.00 35.99 C ATOM 33 C GLN A 4 6.372 17.428 6.741 1.00 30.23 C ATOM 34 O GLN A 4 5.355 17.447 7.417 1.00 30.11 O ATOM 35 CB GLN A 4 6.472 16.173 4.598 1.00 36.52 C ATOM 36 CG GLN A 4 6.588 16.090 3.087 1.00 36.17 C ATOM 37 CD GLN A 4 8.021 15.881 2.685 1.00 36.09 C ATOM 38 OE1 GLN A 4 8.630 14.833 2.970 1.00 32.36 O ATOM 39 NE2 GLN A 4 8.598 16.902 2.070 1.00 36.86 N ATOM 40 HE22 GLN A 4 8.047 17.757 1.853 1.00 0.00 H ATOM 41 HE21 GLN A 4 9.602 16.849 1.804 1.00 0.00 H ATOM 42 H GLN A 4 8.000 18.241 4.044 1.00 0.00 H ATOM 43 N PHE A 5 7.579 17.286 7.285 1.00 26.87 N ATOM 44 CA PHE A 5 7.759 17.093 8.763 1.00 23.69 C ATOM 45 C PHE A 5 7.235 18.290 9.554 1.00 21.24 C ATOM 46 O PHE A 5 6.438 18.129 10.470 1.00 19.43 O ATOM 47 CB PHE A 5 9.221 16.802 9.091 1.00 22.80 C ATOM 48 CG PHE A 5 9.502 16.419 10.541 1.00 21.81 C ATOM 49 CD1 PHE A 5 8.556 15.773 11.354 1.00 20.13 C ATOM 50 CD2 PHE A 5 10.734 16.700 11.075 1.00 21.15 C ATOM 51 CE1 PHE A 5 8.853 15.425 12.652 1.00 19.85 C ATOM 52 CE2 PHE A 5 11.046 16.345 12.388 1.00 21.15 C ATOM 53 CZ PHE A 5 10.111 15.697 13.174 1.00 20.63 C ATOM 54 H PHE A 5 8.418 17.309 6.671 1.00 0.00 H ATOM 55 N GLY A 6 7.661 19.488 9.151 1.00 21.47 N ATOM 56 CA GLY A 6 7.156 20.743 9.679 1.00 20.99 C ATOM 57 C GLY A 6 5.646 20.797 9.651 1.00 22.38 C ATOM 58 O GLY A 6 5.008 21.144 10.640 1.00 21.53 O ATOM 59 H GLY A 6 8.397 19.525 8.417 1.00 0.00 H ATOM 60 N VAL A 7 5.053 20.417 8.527 1.00 22.49 N ATOM 61 CA VAL A 7 3.598 20.433 8.429 1.00 24.07 C ATOM 62 C VAL A 7 3.010 19.402 9.384 1.00 23.43 C ATOM 63 O VAL A 7 2.010 19.675 10.066 1.00 24.55 O ATOM 64 CB VAL A 7 3.113 20.235 6.964 1.00 27.43 C ATOM 65 CG1 VAL A 7 1.597 19.973 6.897 1.00 26.95 C ATOM 66 CG2 VAL A 7 3.481 21.463 6.127 1.00 27.81 C ATOM 67 H VAL A 7 5.626 20.108 7.716 1.00 0.00 H ATOM 68 N MET A 8 3.652 18.236 9.486 1.00 22.85 N ATOM 69 CA MET A 8 3.210 17.205 10.460 1.00 20.33 C ATOM 70 C MET A 8 3.299 17.708 11.896 1.00 19.80 C ATOM 71 O MET A 8 2.346 17.558 12.687 1.00 18.78 O ATOM 72 CB MET A 8 4.024 15.924 10.296 1.00 19.62 C ATOM 73 CG MET A 8 3.474 14.721 11.025 1.00 20.33 C ATOM 74 SD MET A 8 4.582 13.292 10.876 1.00 20.90 S ATOM 75 CE MET A 8 4.232 12.913 9.157 1.00 21.76 C ATOM 76 H MET A 8 4.472 18.047 8.876 1.00 0.00 H ATOM 77 N ILE A 9 4.438 18.303 12.237 1.00 20.50 N ATOM 78 CA ILE A 9 4.617 18.901 13.557 1.00 20.44 C ATOM 79 C ILE A 9 3.490 19.906 13.862 1.00 22.14 C ATOM 80 O ILE A 9 2.847 19.812 14.923 1.00 21.05 O ATOM 81 CB ILE A 9 5.971 19.596 13.677 1.00 20.50 C ATOM 82 CG1 ILE A 9 7.087 18.536 13.751 1.00 20.18 C ATOM 83 CG2 ILE A 9 6.019 20.486 14.922 1.00 21.19 C ATOM 84 CD1 ILE A 9 8.466 19.072 13.518 1.00 19.53 C ATOM 85 H ILE A 9 5.217 18.343 11.550 1.00 0.00 H ATOM 86 N GLU A 10 3.205 20.817 12.937 1.00 24.64 N ATOM 87 CA GLU A 10 2.149 21.821 13.213 1.00 29.29 C ATOM 88 C GLU A 10 0.791 21.177 13.401 1.00 28.06 C ATOM 89 O GLU A 10 0.103 21.460 14.360 1.00 27.85 O ATOM 90 CB GLU A 10 2.073 22.907 12.150 1.00 35.09 C ATOM 91 CG GLU A 10 3.357 23.709 11.985 1.00 42.17 C ATOM 92 CD GLU A 10 3.224 24.912 11.064 1.00 46.89 C ATOM 93 OE1 GLU A 10 2.119 25.505 10.988 1.00 52.32 O ATOM 94 OE2 GLU A 10 4.240 25.260 10.426 1.00 51.42 O ATOM 95 H GLU A 10 3.716 20.826 12.031 1.00 0.00 H ATOM 96 N LYS A 11 0.419 20.269 12.517 1.00 30.93 N ATOM 97 CA LYS A 11 -0.863 19.573 12.681 1.00 32.43 C ATOM 98 C LYS A 11 -0.990 18.889 14.032 1.00 30.38 C ATOM 99 O LYS A 11 -2.043 18.919 14.646 1.00 31.17 O ATOM 100 CB LYS A 11 -1.091 18.551 11.555 1.00 37.20 C ATOM 101 CG LYS A 11 -1.764 19.156 10.328 1.00 41.75 C ATOM 102 CD LYS A 11 -1.913 18.137 9.201 1.00 46.11 C ATOM 103 CE LYS A 11 -2.988 18.521 8.184 1.00 46.72 C ATOM 104 NZ LYS A 11 -2.909 19.949 7.799 1.00 44.78 N ATOM 105 HZ1 LYS A 11 -3.036 20.542 8.644 1.00 0.00 H ATOM 106 HZ2 LYS A 11 -1.979 20.142 7.375 1.00 0.00 H ATOM 107 HZ3 LYS A 11 -3.657 20.162 7.108 1.00 0.00 H ATOM 108 H LYS A 11 1.033 20.048 11.707 1.00 0.00 H ATOM 109 N MET A 12 0.078 18.263 14.497 1.00 29.44 N ATOM 110 CA MET A 12 -0.003 17.451 15.693 1.00 28.53 C ATOM 111 C MET A 12 0.174 18.221 16.986 1.00 27.64 C ATOM 112 O MET A 12 -0.298 17.769 18.020 1.00 27.41 O ATOM 113 CB MET A 12 1.050 16.330 15.640 1.00 29.94 C ATOM 114 CG MET A 12 0.879 15.313 14.520 1.00 30.23 C ATOM 115 SD MET A 12 -0.826 14.790 14.277 1.00 34.13 S ATOM 116 CE MET A 12 -1.141 13.981 15.808 1.00 29.92 C ATOM 117 H MET A 12 0.986 18.355 13.998 1.00 0.00 H ATOM 118 N THR A 13 0.883 19.345 16.956 1.00 28.06 N ATOM 119 CA THR A 13 1.202 20.056 18.198 1.00 29.59 C ATOM 120 C THR A 13 0.485 21.406 18.356 1.00 33.67 C ATOM 121 O THR A 13 0.467 21.950 19.466 1.00 39.17 O ATOM 122 CB THR A 13 2.707 20.322 18.319 1.00 25.31 C ATOM 123 OG1 THR A 13 3.094 21.237 17.298 1.00 22.14 O ATOM 124 CG2 THR A 13 3.528 19.014 18.207 1.00 23.26 C ATOM 125 HG1 THR A 13 2.892 20.845 16.412 1.00 0.00 H ATOM 126 H THR A 13 1.214 19.723 16.045 1.00 0.00 H ATOM 127 N GLY A 14 -0.065 21.957 17.272 1.00 32.97 N ATOM 128 CA GLY A 14 -0.611 23.323 17.293 1.00 32.11 C ATOM 129 C GLY A 14 0.444 24.423 17.361 1.00 35.10 C ATOM 130 O GLY A 14 0.102 25.590 17.485 1.00 37.72 O ATOM 131 H GLY A 14 -0.109 21.407 16.390 1.00 0.00 H ATOM 132 N LYS A 15 1.730 24.075 17.274 1.00 33.56 N ATOM 133 CA LYS A 15 2.804 25.062 17.301 1.00 32.57 C ATOM 134 C LYS A 15 3.423 25.112 15.945 1.00 31.00 C ATOM 135 O LYS A 15 3.420 24.137 15.221 1.00 31.73 O ATOM 136 CB LYS A 15 3.913 24.665 18.271 1.00 31.98 C ATOM 137 CG LYS A 15 3.491 24.515 19.710 1.00 32.36 C ATOM 138 CD LYS A 15 4.721 24.272 20.569 1.00 33.85 C ATOM 139 CE LYS A 15 4.359 23.813 21.964 1.00 33.04 C ATOM 140 NZ LYS A 15 3.510 24.780 22.679 1.00 34.25 N ATOM 141 HZ1 LYS A 15 4.013 25.686 22.762 1.00 0.00 H ATOM 142 HZ2 LYS A 15 2.626 24.920 22.150 1.00 0.00 H ATOM 143 HZ3 LYS A 15 3.293 24.414 23.628 1.00 0.00 H ATOM 144 H LYS A 15 1.974 23.068 17.184 1.00 0.00 H ATOM 145 N SER A 16 4.017 26.239 15.630 1.00 30.62 N ATOM 146 CA SER A 16 4.873 26.340 14.466 1.00 31.66 C ATOM 147 C SER A 16 6.073 25.347 14.551 1.00 31.80 C ATOM 148 O SER A 16 6.613 25.113 15.612 1.00 29.22 O ATOM 149 CB SER A 16 5.357 27.787 14.345 1.00 31.13 C ATOM 150 OG SER A 16 6.429 27.843 13.449 1.00 35.21 O ATOM 151 HG SER A 16 6.743 28.779 13.370 1.00 0.00 H ATOM 152 H SER A 16 3.870 27.077 16.228 1.00 0.00 H ATOM 153 N ALA A 17 6.476 24.766 13.427 1.00 33.89 N ATOM 154 CA ALA A 17 7.668 23.894 13.374 1.00 35.48 C ATOM 155 C ALA A 17 8.970 24.556 13.879 1.00 36.09 C ATOM 156 O ALA A 17 9.865 23.883 14.409 1.00 34.05 O ATOM 157 CB ALA A 17 7.870 23.391 11.958 1.00 34.94 C ATOM 158 H ALA A 17 5.934 24.930 12.554 1.00 0.00 H ATOM 159 N LEU A 18 9.046 25.876 13.709 1.00 38.13 N ATOM 160 CA LEU A 18 10.136 26.725 14.223 1.00 39.76 C ATOM 161 C LEU A 18 10.332 26.604 15.746 1.00 36.04 C ATOM 162 O LEU A 18 11.389 26.927 16.251 1.00 38.78 O ATOM 163 CB LEU A 18 9.866 28.227 13.893 1.00 44.04 C ATOM 164 CG LEU A 18 9.384 28.708 12.494 1.00 48.19 C ATOM 165 CD1 LEU A 18 8.961 30.180 12.528 1.00 47.75 C ATOM 166 CD2 LEU A 18 10.409 28.438 11.394 1.00 48.23 C ATOM 167 H LEU A 18 8.283 26.339 13.176 1.00 0.00 H ATOM 168 N GLN A 19 9.279 26.220 16.466 1.00 32.60 N ATOM 169 CA GLN A 19 9.342 26.021 17.902 1.00 32.36 C ATOM 170 C GLN A 19 10.034 24.735 18.309 1.00 32.52 C ATOM 171 O GLN A 19 10.319 24.562 19.478 1.00 32.87 O ATOM 172 CB GLN A 19 7.949 26.093 18.532 1.00 32.29 C ATOM 173 CG GLN A 19 7.389 27.522 18.600 1.00 34.49 C ATOM 174 CD GLN A 19 6.170 27.644 19.498 1.00 34.52 C ATOM 175 OE1 GLN A 19 5.057 27.751 19.012 1.00 39.34 O ATOM 176 NE2 GLN A 19 6.376 27.622 20.817 1.00 37.31 N ATOM 177 HE22 GLN A 19 7.342 27.529 21.191 1.00 0.00 H ATOM 178 HE21 GLN A 19 5.570 27.698 21.470 1.00 0.00 H ATOM 179 H GLN A 19 8.375 26.056 15.979 1.00 0.00 H ATOM 180 N TYR A 20 10.292 23.841 17.363 1.00 32.59 N ATOM 181 CA TYR A 20 11.014 22.624 17.646 1.00 34.08 C ATOM 182 C TYR A 20 12.418 22.604 17.037 1.00 42.64 C ATOM 183 O TYR A 20 13.158 21.666 17.284 1.00 45.46 O ATOM 184 CB TYR A 20 10.194 21.423 17.203 1.00 28.74 C ATOM 185 CG TYR A 20 9.000 21.181 18.101 1.00 25.41 C ATOM 186 CD1 TYR A 20 9.104 20.386 19.230 1.00 23.35 C ATOM 187 CD2 TYR A 20 7.769 21.759 17.813 1.00 22.95 C ATOM 188 CE1 TYR A 20 8.014 20.160 20.044 1.00 22.18 C ATOM 189 CE2 TYR A 20 6.681 21.565 18.622 1.00 22.03 C ATOM 190 CZ TYR A 20 6.808 20.770 19.733 1.00 21.59 C ATOM 191 OH TYR A 20 5.728 20.580 20.496 1.00 20.94 O ATOM 192 HH TYR A 20 5.962 19.991 21.256 1.00 0.00 H ATOM 193 H TYR A 20 9.965 24.022 16.392 1.00 0.00 H ATOM 194 N ASN A 21 12.801 23.626 16.273 1.00 51.83 N ATOM 195 CA ASN A 21 14.193 23.761 15.822 1.00 51.79 C ATOM 196 C ASN A 21 15.053 24.385 16.917 1.00 48.88 C ATOM 197 O ASN A 21 14.620 25.301 17.644 1.00 54.57 O ATOM 198 CB ASN A 21 14.281 24.639 14.579 1.00 60.53 C ATOM 199 CG ASN A 21 15.669 24.627 13.935 1.00 66.47 C ATOM 200 OD1 ASN A 21 16.186 25.684 13.534 1.00 71.23 O ATOM 201 ND2 ASN A 21 16.284 23.436 13.836 1.00 64.43 N ATOM 202 HD22 ASN A 21 15.813 22.577 14.185 1.00 0.00 H ATOM 203 HD21 ASN A 21 17.231 23.373 13.410 1.00 0.00 H ATOM 204 H ASN A 21 12.102 24.342 15.990 1.00 0.00 H ATOM 205 N ASP A 22 16.268 23.857 17.026 1.00 45.49 N ATOM 206 CA ASP A 22 17.236 24.198 18.053 1.00 43.37 C ATOM 207 C ASP A 22 16.705 24.022 19.437 1.00 36.30 C ATOM 208 O ASP A 22 17.329 24.525 20.406 1.00 38.58 O ATOM 209 CB ASP A 22 17.756 25.622 17.886 1.00 45.63 C ATOM 210 CG ASP A 22 18.476 25.795 16.638 1.00 51.13 C ATOM 211 OD1 ASP A 22 19.235 24.872 16.278 1.00 59.19 O ATOM 212 OD2 ASP A 22 18.291 26.852 16.016 1.00 61.10 O ATOM 213 H ASP A 22 16.547 23.145 16.321 1.00 0.00 H ATOM 214 N TYR A 23 15.620 23.261 19.557 1.00 27.39 N ATOM 215 CA TYR A 23 15.088 22.963 20.860 1.00 24.68 C ATOM 216 C TYR A 23 16.032 22.000 21.529 1.00 22.45 C ATOM 217 O TYR A 23 16.394 20.958 20.957 1.00 23.72 O ATOM 218 CB TYR A 23 13.704 22.366 20.791 1.00 21.81 C ATOM 219 CG TYR A 23 13.035 22.233 22.136 1.00 20.09 C ATOM 220 CD1 TYR A 23 13.293 21.145 22.967 1.00 18.42 C ATOM 221 CD2 TYR A 23 12.132 23.181 22.577 1.00 19.11 C ATOM 222 CE1 TYR A 23 12.655 20.998 24.193 1.00 17.86 C ATOM 223 CE2 TYR A 23 11.483 23.036 23.802 1.00 18.94 C ATOM 224 CZ TYR A 23 11.740 21.938 24.609 1.00 18.39 C ATOM 225 OH TYR A 23 11.093 21.813 25.837 1.00 18.70 O ATOM 226 HH TYR A 23 11.389 20.979 26.281 1.00 0.00 H ATOM 227 H TYR A 23 15.156 22.881 18.707 1.00 0.00 H ATOM 228 N GLY A 24 16.423 22.361 22.732 1.00 21.04 N ATOM 229 CA GLY A 24 17.265 21.511 23.560 1.00 22.21 C ATOM 230 C GLY A 24 18.559 21.210 22.853 1.00 22.18 C ATOM 231 O GLY A 24 19.071 22.057 22.105 1.00 22.74 O ATOM 232 H GLY A 24 16.120 23.284 23.103 1.00 0.00 H ATOM 233 N CYS A 25 19.074 19.995 23.080 1.00 21.07 N ATOM 234 CA CYS A 25 20.348 19.580 22.521 1.00 20.34 C ATOM 235 C CYS A 25 20.228 18.723 21.308 1.00 20.30 C ATOM 236 O CYS A 25 21.224 18.523 20.627 1.00 22.32 O ATOM 237 CB CYS A 25 21.136 18.849 23.613 1.00 23.39 C ATOM 238 SG CYS A 25 21.464 19.954 25.003 1.00 23.36 S ATOM 239 H CYS A 25 18.544 19.327 23.676 1.00 0.00 H ATOM 240 N TYR A 26 19.022 18.220 21.010 1.00 20.53 N ATOM 241 CA TYR A 26 18.838 17.296 19.910 1.00 22.12 C ATOM 242 C TYR A 26 17.943 17.776 18.763 1.00 22.61 C ATOM 243 O TYR A 26 18.067 17.244 17.652 1.00 22.11 O ATOM 244 CB TYR A 26 18.420 15.893 20.416 1.00 22.52 C ATOM 245 CG TYR A 26 19.610 15.174 20.996 1.00 22.40 C ATOM 246 CD1 TYR A 26 20.430 14.402 20.194 1.00 24.70 C ATOM 247 CD2 TYR A 26 19.972 15.366 22.299 1.00 23.08 C ATOM 248 CE1 TYR A 26 21.578 13.790 20.697 1.00 25.86 C ATOM 249 CE2 TYR A 26 21.107 14.779 22.825 1.00 24.98 C ATOM 250 CZ TYR A 26 21.906 13.980 22.032 1.00 25.98 C ATOM 251 OH TYR A 26 23.023 13.384 22.551 1.00 27.29 O ATOM 252 HH TYR A 26 23.643 14.081 22.884 1.00 0.00 H ATOM 253 H TYR A 26 18.199 18.500 21.582 1.00 0.00 H ATOM 254 N CYS A 27 17.041 18.717 18.990 1.00 22.06 N ATOM 255 CA CYS A 27 16.130 19.060 17.914 1.00 23.74 C ATOM 256 C CYS A 27 16.820 20.079 17.002 1.00 27.61 C ATOM 257 O CYS A 27 17.277 21.141 17.456 1.00 28.66 O ATOM 258 CB CYS A 27 14.817 19.603 18.440 1.00 21.44 C ATOM 259 SG CYS A 27 14.000 18.608 19.669 1.00 20.84 S ATOM 260 H CYS A 27 16.987 19.196 19.911 1.00 0.00 H ATOM 261 N GLY A 28 16.883 19.769 15.717 1.00 31.37 N ATOM 262 CA GLY A 28 17.698 20.551 14.790 1.00 37.11 C ATOM 263 C GLY A 28 18.848 19.685 14.343 1.00 41.75 C ATOM 264 O GLY A 28 18.958 18.527 14.754 1.00 43.78 O ATOM 265 H GLY A 28 16.343 18.955 15.361 1.00 0.00 H ATOM 266 N ILE A 29 19.704 20.213 13.490 1.00 42.67 N ATOM 267 CA ILE A 29 20.729 19.353 12.877 1.00 47.99 C ATOM 268 C ILE A 29 21.721 18.797 13.920 1.00 42.29 C ATOM 269 O ILE A 29 22.147 19.514 14.833 1.00 40.25 O ATOM 270 CB ILE A 29 21.456 20.028 11.681 1.00 54.27 C ATOM 271 CG1 ILE A 29 21.989 21.434 12.048 1.00 56.95 C ATOM 272 CG2 ILE A 29 20.509 20.073 10.478 1.00 55.33 C ATOM 273 CD1 ILE A 29 23.042 21.973 11.087 1.00 60.68 C ATOM 274 H ILE A 29 19.655 21.225 13.253 1.00 0.00 H ATOM 275 N GLY A 30 22.030 17.507 13.797 1.00 38.36 N ATOM 276 CA GLY A 30 22.909 16.827 14.744 1.00 40.58 C ATOM 277 C GLY A 30 22.390 16.880 16.180 1.00 39.42 C ATOM 278 O GLY A 30 21.191 16.837 16.421 1.00 35.32 O ATOM 279 H GLY A 30 21.633 16.967 13.002 1.00 0.00 H ATOM 280 N GLY A 31 23.297 17.000 17.133 1.00 40.91 N ATOM 281 CA GLY A 31 22.939 16.939 18.546 1.00 42.96 C ATOM 282 C GLY A 31 23.941 16.089 19.286 1.00 40.38 C ATOM 283 O GLY A 31 24.659 15.315 18.690 1.00 40.57 O ATOM 284 H GLY A 31 24.293 17.142 16.869 1.00 0.00 H ATOM 285 N SER A 32 23.997 16.266 20.595 1.00 39.16 N ATOM 286 CA SER A 32 25.030 15.664 21.427 1.00 37.57 C ATOM 287 C SER A 32 24.705 15.928 22.879 1.00 33.67 C ATOM 288 O SER A 32 23.850 16.755 23.180 1.00 26.00 O ATOM 289 CB SER A 32 26.409 16.249 21.119 1.00 41.80 C ATOM 290 OG SER A 32 26.443 17.635 21.424 1.00 45.85 O ATOM 291 HG SER A 32 27.342 17.995 21.218 1.00 0.00 H ATOM 292 H SER A 32 23.274 16.859 21.049 1.00 0.00 H ATOM 293 N HIS A 33 25.381 15.188 23.762 1.00 31.23 N ATOM 294 CA HIS A 33 25.272 15.363 25.212 1.00 29.72 C ATOM 295 C HIS A 33 23.913 14.858 25.696 1.00 25.81 C ATOM 296 O HIS A 33 23.309 14.013 25.041 1.00 26.19 O ATOM 297 CB HIS A 33 25.655 16.812 25.627 1.00 31.46 C ATOM 298 CG HIS A 33 27.080 17.177 25.317 1.00 34.40 C ATOM 299 ND1 HIS A 33 28.144 16.759 26.098 1.00 38.17 N ATOM 300 CD2 HIS A 33 27.618 17.928 24.323 1.00 35.96 C ATOM 301 CE1 HIS A 33 29.271 17.241 25.598 1.00 38.51 C ATOM 302 NE2 HIS A 33 28.979 17.946 24.517 1.00 37.67 N ATOM 303 H HIS A 33 26.018 14.449 23.401 1.00 0.00 H ATOM 304 N TRP A 34 23.451 15.247 26.869 1.00 24.99 N ATOM 305 CA TRP A 34 22.261 14.614 27.424 1.00 25.00 C ATOM 306 C TRP A 34 21.022 15.453 27.092 1.00 25.56 C ATOM 307 O TRP A 34 21.073 16.678 27.247 1.00 24.39 O ATOM 308 CB TRP A 34 22.378 14.459 28.939 1.00 23.92 C ATOM 309 CG TRP A 34 21.421 13.430 29.479 1.00 22.52 C ATOM 310 CD1 TRP A 34 20.234 13.659 30.113 1.00 21.92 C ATOM 311 CD2 TRP A 34 21.613 12.023 29.482 1.00 22.60 C ATOM 312 NE1 TRP A 34 19.669 12.478 30.485 1.00 22.24 N ATOM 313 CE2 TRP A 34 20.495 11.452 30.112 1.00 22.88 C ATOM 314 CE3 TRP A 34 22.626 11.180 29.002 1.00 25.18 C ATOM 315 CZ2 TRP A 34 20.349 10.067 30.286 1.00 24.38 C ATOM 316 CZ3 TRP A 34 22.474 9.780 29.157 1.00 25.19 C ATOM 317 CH2 TRP A 34 21.349 9.251 29.796 1.00 24.68 C ATOM 318 HE1 TRP A 34 18.757 12.372 30.974 1.00 0.00 H ATOM 319 H TRP A 34 23.934 16.002 27.396 1.00 0.00 H ATOM 320 N PRO A 35 19.908 14.797 26.669 1.00 26.13 N ATOM 321 CA PRO A 35 18.681 15.513 26.324 1.00 24.75 C ATOM 322 C PRO A 35 18.203 16.336 27.484 1.00 23.51 C ATOM 323 O PRO A 35 18.264 15.851 28.599 1.00 21.96 O ATOM 324 CB PRO A 35 17.679 14.371 26.050 1.00 25.80 C ATOM 325 CG PRO A 35 18.553 13.277 25.501 1.00 25.22 C ATOM 326 CD PRO A 35 19.765 13.348 26.382 1.00 25.82 C ATOM 327 N VAL A 36 17.728 17.555 27.231 1.00 21.18 N ATOM 328 CA VAL A 36 17.289 18.402 28.334 1.00 20.42 C ATOM 329 C VAL A 36 15.962 17.992 28.934 1.00 19.25 C ATOM 330 O VAL A 36 15.715 18.306 30.062 1.00 19.84 O ATOM 331 CB VAL A 36 17.208 19.913 27.976 1.00 20.85 C ATOM 332 CG1 VAL A 36 18.557 20.448 27.536 1.00 21.06 C ATOM 333 CG2 VAL A 36 16.138 20.205 26.922 1.00 21.43 C ATOM 334 H VAL A 36 17.671 17.901 26.252 1.00 0.00 H ATOM 335 N ASP A 37 15.094 17.327 28.180 1.00 19.02 N ATOM 336 CA ASP A 37 13.730 17.045 28.620 1.00 18.60 C ATOM 337 C ASP A 37 13.073 16.009 27.667 1.00 19.45 C ATOM 338 O ASP A 37 13.748 15.476 26.797 1.00 19.11 O ATOM 339 CB ASP A 37 12.880 18.344 28.803 1.00 18.79 C ATOM 340 CG ASP A 37 12.367 18.941 27.477 1.00 19.35 C ATOM 341 OD1 ASP A 37 12.685 18.390 26.385 1.00 17.54 O ATOM 342 OD2 ASP A 37 11.664 20.004 27.541 1.00 20.28 O ATOM 343 H ASP A 37 15.397 16.995 27.242 1.00 0.00 H ATOM 344 N GLN A 38 11.788 15.703 27.861 1.00 20.15 N ATOM 345 CA GLN A 38 11.130 14.614 27.126 1.00 22.26 C ATOM 346 C GLN A 38 10.985 14.956 25.626 1.00 21.74 C ATOM 347 O GLN A 38 11.299 14.140 24.778 1.00 21.76 O ATOM 348 CB GLN A 38 9.770 14.244 27.766 1.00 23.56 C ATOM 349 CG GLN A 38 9.930 13.502 29.087 1.00 25.05 C ATOM 350 CD GLN A 38 10.507 12.102 28.876 1.00 29.46 C ATOM 351 OE1 GLN A 38 11.672 11.839 29.194 1.00 33.18 O ATOM 352 NE2 GLN A 38 9.711 11.218 28.280 1.00 30.78 N ATOM 353 HE22 GLN A 38 8.737 11.482 28.030 1.00 0.00 H ATOM 354 HE21 GLN A 38 10.063 10.263 28.065 1.00 0.00 H ATOM 355 H GLN A 38 11.237 16.251 28.552 1.00 0.00 H ATOM 356 N THR A 39 10.613 16.197 25.324 1.00 19.54 N ATOM 357 CA THR A 39 10.563 16.673 23.942 1.00 18.83 C ATOM 358 C THR A 39 11.912 16.470 23.244 1.00 18.16 C ATOM 359 O THR A 39 11.964 16.013 22.094 1.00 16.90 O ATOM 360 CB THR A 39 10.100 18.139 23.936 1.00 18.13 C ATOM 361 OG1 THR A 39 8.747 18.194 24.416 1.00 17.07 O ATOM 362 CG2 THR A 39 10.214 18.770 22.585 1.00 18.21 C ATOM 363 HG1 THR A 39 8.710 17.832 25.337 1.00 0.00 H ATOM 364 H THR A 39 10.350 16.847 26.092 1.00 0.00 H ATOM 365 N ASP A 40 13.000 16.746 23.970 1.00 18.26 N ATOM 366 CA ASP A 40 14.346 16.618 23.423 1.00 17.27 C ATOM 367 C ASP A 40 14.653 15.127 23.195 1.00 17.02 C ATOM 368 O ASP A 40 15.283 14.798 22.217 1.00 14.91 O ATOM 369 CB ASP A 40 15.389 17.231 24.368 1.00 17.65 C ATOM 370 CG ASP A 40 16.666 17.710 23.663 1.00 18.03 C ATOM 371 OD1 ASP A 40 16.724 17.788 22.399 1.00 16.80 O ATOM 372 OD2 ASP A 40 17.638 18.085 24.408 1.00 20.25 O ATOM 373 H ASP A 40 12.883 17.061 24.954 1.00 0.00 H ATOM 374 N TRP A 41 14.224 14.258 24.116 1.00 17.74 N ATOM 375 CA TRP A 41 14.371 12.824 23.906 1.00 18.85 C ATOM 376 C TRP A 41 13.676 12.413 22.599 1.00 19.02 C ATOM 377 O TRP A 41 14.238 11.607 21.867 1.00 21.05 O ATOM 378 CB TRP A 41 13.841 12.000 25.086 1.00 20.18 C ATOM 379 CG TRP A 41 14.856 11.802 26.203 1.00 22.71 C ATOM 380 CD1 TRP A 41 14.903 12.471 27.389 1.00 22.72 C ATOM 381 CD2 TRP A 41 15.971 10.909 26.205 1.00 23.17 C ATOM 382 NE1 TRP A 41 15.954 12.040 28.131 1.00 24.02 N ATOM 383 CE2 TRP A 41 16.638 11.084 27.435 1.00 25.17 C ATOM 384 CE3 TRP A 41 16.467 9.971 25.297 1.00 24.74 C ATOM 385 CZ2 TRP A 41 17.796 10.350 27.791 1.00 26.05 C ATOM 386 CZ3 TRP A 41 17.630 9.237 25.641 1.00 26.38 C ATOM 387 CH2 TRP A 41 18.274 9.435 26.893 1.00 26.14 C ATOM 388 HE1 TRP A 41 16.200 12.384 29.081 1.00 0.00 H ATOM 389 H TRP A 41 13.782 14.609 24.990 1.00 0.00 H ATOM 390 N CYS A 42 12.498 12.985 22.281 1.00 18.13 N ATOM 391 CA CYS A 42 11.855 12.742 20.989 1.00 17.71 C ATOM 392 C CYS A 42 12.830 12.977 19.861 1.00 17.56 C ATOM 393 O CYS A 42 12.890 12.180 18.939 1.00 17.63 O ATOM 394 CB CYS A 42 10.616 13.611 20.741 1.00 18.01 C ATOM 395 SG CYS A 42 9.330 13.568 22.010 1.00 20.03 S ATOM 396 H CYS A 42 12.036 13.613 22.969 1.00 0.00 H ATOM 397 N CYS A 43 13.572 14.078 19.915 1.00 17.44 N ATOM 398 CA CYS A 43 14.502 14.412 18.833 1.00 18.11 C ATOM 399 C CYS A 43 15.696 13.487 18.791 1.00 18.65 C ATOM 400 O CYS A 43 16.107 13.084 17.716 1.00 20.08 O ATOM 401 CB CYS A 43 14.935 15.859 18.924 1.00 18.44 C ATOM 402 SG CYS A 43 13.532 16.942 18.627 1.00 17.92 S ATOM 403 H CYS A 43 13.492 14.711 20.736 1.00 0.00 H ATOM 404 N HIS A 44 16.210 13.106 19.966 1.00 18.90 N ATOM 405 CA HIS A 44 17.237 12.055 20.076 1.00 18.98 C ATOM 406 C HIS A 44 16.810 10.707 19.442 1.00 17.85 C ATOM 407 O HIS A 44 17.562 10.090 18.687 1.00 17.28 O ATOM 408 CB HIS A 44 17.543 11.832 21.573 1.00 19.71 C ATOM 409 CG HIS A 44 18.576 10.788 21.831 1.00 20.14 C ATOM 410 ND1 HIS A 44 18.270 9.450 21.966 1.00 21.17 N ATOM 411 CD2 HIS A 44 19.914 10.890 21.997 1.00 21.23 C ATOM 412 CE1 HIS A 44 19.377 8.775 22.203 1.00 21.74 C ATOM 413 NE2 HIS A 44 20.390 9.628 22.233 1.00 21.50 N ATOM 414 H HIS A 44 15.872 13.569 20.834 1.00 0.00 H ATOM 415 N ALA A 45 15.625 10.245 19.807 1.00 16.66 N ATOM 416 CA ALA A 45 15.013 9.073 19.172 1.00 17.71 C ATOM 417 C ALA A 45 14.857 9.250 17.629 1.00 17.23 C ATOM 418 O ALA A 45 15.138 8.323 16.857 1.00 17.80 O ATOM 419 CB ALA A 45 13.658 8.767 19.832 1.00 17.09 C ATOM 420 H ALA A 45 15.110 10.729 20.570 1.00 0.00 H ATOM 421 N HIS A 46 14.483 10.448 17.199 1.00 16.71 N ATOM 422 CA HIS A 46 14.290 10.747 15.779 1.00 17.72 C ATOM 423 C HIS A 46 15.586 10.696 15.030 1.00 18.18 C ATOM 424 O HIS A 46 15.649 10.128 13.934 1.00 17.18 O ATOM 425 CB HIS A 46 13.649 12.115 15.613 1.00 19.06 C ATOM 426 CG HIS A 46 13.171 12.418 14.225 1.00 21.10 C ATOM 427 ND1 HIS A 46 13.804 13.316 13.402 1.00 21.91 N ATOM 428 CD2 HIS A 46 12.106 11.961 13.524 1.00 22.25 C ATOM 429 CE1 HIS A 46 13.169 13.381 12.247 1.00 21.41 C ATOM 430 NE2 HIS A 46 12.125 12.582 12.302 1.00 21.65 N ATOM 431 H HIS A 46 14.321 11.202 17.896 1.00 0.00 H ATOM 432 N ASP A 47 16.630 11.295 15.600 1.00 18.06 N ATOM 433 CA ASP A 47 17.966 11.142 15.029 1.00 18.68 C ATOM 434 C ASP A 47 18.397 9.664 14.905 1.00 17.97 C ATOM 435 O ASP A 47 18.959 9.228 13.879 1.00 16.55 O ATOM 436 CB ASP A 47 18.980 11.849 15.922 1.00 20.30 C ATOM 437 CG ASP A 47 18.890 13.375 15.847 1.00 22.92 C ATOM 438 OD1 ASP A 47 18.000 13.985 15.159 1.00 23.08 O ATOM 439 OD2 ASP A 47 19.748 13.978 16.522 1.00 24.31 O ATOM 440 H ASP A 47 16.494 11.873 16.454 1.00 0.00 H ATOM 441 N CYS A 48 18.147 8.910 15.953 1.00 17.49 N ATOM 442 CA CYS A 48 18.441 7.463 15.921 1.00 18.85 C ATOM 443 C CYS A 48 17.668 6.796 14.756 1.00 17.49 C ATOM 444 O CYS A 48 18.245 6.028 13.977 1.00 16.40 O ATOM 445 CB CYS A 48 18.101 6.803 17.263 1.00 18.73 C ATOM 446 SG CYS A 48 19.223 7.283 18.604 1.00 22.36 S ATOM 447 H CYS A 48 17.740 9.335 16.810 1.00 0.00 H ATOM 448 N CYS A 49 16.383 7.132 14.646 1.00 16.58 N ATOM 449 CA CYS A 49 15.502 6.622 13.558 1.00 16.18 C ATOM 450 C CYS A 49 16.083 6.911 12.187 1.00 15.51 C ATOM 451 O CYS A 49 16.200 6.027 11.342 1.00 15.37 O ATOM 452 CB CYS A 49 14.105 7.223 13.686 1.00 16.33 C ATOM 453 SG CYS A 49 12.772 6.233 12.965 1.00 16.37 S ATOM 454 H CYS A 49 15.977 7.779 15.351 1.00 0.00 H ATOM 455 N TYR A 50 16.548 8.136 11.984 1.00 15.25 N ATOM 456 CA TYR A 50 17.165 8.485 10.697 1.00 15.62 C ATOM 457 C TYR A 50 18.467 7.702 10.445 1.00 16.06 C ATOM 458 O TYR A 50 18.713 7.283 9.314 1.00 14.41 O ATOM 459 CB TYR A 50 17.400 10.014 10.558 1.00 16.13 C ATOM 460 CG TYR A 50 16.211 10.846 10.035 1.00 16.76 C ATOM 461 CD1 TYR A 50 14.889 10.396 10.128 1.00 17.09 C ATOM 462 CD2 TYR A 50 16.414 12.108 9.441 1.00 17.97 C ATOM 463 CE1 TYR A 50 13.830 11.150 9.618 1.00 17.00 C ATOM 464 CE2 TYR A 50 15.342 12.873 8.932 1.00 17.28 C ATOM 465 CZ TYR A 50 14.055 12.409 9.057 1.00 16.79 C ATOM 466 OH TYR A 50 12.987 13.143 8.569 1.00 15.86 O ATOM 467 HH TYR A 50 12.144 12.656 8.748 1.00 0.00 H ATOM 468 H TYR A 50 16.476 8.850 12.736 1.00 0.00 H ATOM 469 N GLY A 51 19.291 7.504 11.485 1.00 16.43 N ATOM 470 CA GLY A 51 20.515 6.738 11.340 1.00 16.37 C ATOM 471 C GLY A 51 20.173 5.318 10.911 1.00 16.93 C ATOM 472 O GLY A 51 20.804 4.789 10.002 1.00 16.45 O ATOM 473 H GLY A 51 19.048 7.907 12.412 1.00 0.00 H ATOM 474 N ARG A 52 19.145 4.719 11.517 1.00 17.50 N ATOM 475 CA ARG A 52 18.684 3.383 11.052 1.00 19.40 C ATOM 476 C ARG A 52 18.299 3.414 9.568 1.00 18.46 C ATOM 477 O ARG A 52 18.641 2.513 8.806 1.00 15.86 O ATOM 478 CB ARG A 52 17.496 2.832 11.872 1.00 19.87 C ATOM 479 CG ARG A 52 17.841 2.534 13.305 1.00 21.44 C ATOM 480 CD ARG A 52 16.832 1.637 14.013 1.00 22.67 C ATOM 481 NE ARG A 52 15.503 2.250 14.161 1.00 23.82 N ATOM 482 CZ ARG A 52 15.171 3.202 15.034 1.00 23.26 C ATOM 483 NH1 ARG A 52 16.046 3.699 15.888 1.00 25.12 N ATOM 484 NH2 ARG A 52 13.942 3.673 15.045 1.00 24.21 N ATOM 485 HE ARG A 52 14.753 1.910 13.526 1.00 0.00 H ATOM 486 HH12 ARG A 52 15.756 4.441 16.557 1.00 0.00 H ATOM 487 HH11 ARG A 52 17.025 3.349 15.892 1.00 0.00 H ATOM 488 HH22 ARG A 52 13.676 4.415 15.723 1.00 0.00 H ATOM 489 HH21 ARG A 52 13.237 3.303 14.376 1.00 0.00 H ATOM 490 H ARG A 52 18.667 5.186 12.314 1.00 0.00 H ATOM 491 N LEU A 53 17.607 4.478 9.162 1.00 17.08 N ATOM 492 CA LEU A 53 17.176 4.568 7.768 1.00 17.27 C ATOM 493 C LEU A 53 18.384 4.718 6.796 1.00 18.08 C ATOM 494 O LEU A 53 18.413 4.073 5.728 1.00 15.79 O ATOM 495 CB LEU A 53 16.128 5.661 7.592 1.00 17.69 C ATOM 496 CG LEU A 53 14.655 5.213 7.703 1.00 18.48 C ATOM 497 CD1 LEU A 53 14.302 4.360 8.935 1.00 17.81 C ATOM 498 CD2 LEU A 53 13.722 6.416 7.566 1.00 18.29 C ATOM 499 H LEU A 53 17.375 5.239 9.832 1.00 0.00 H ATOM 500 N GLU A 54 19.369 5.531 7.184 1.00 18.62 N ATOM 501 CA GLU A 54 20.616 5.681 6.411 1.00 21.55 C ATOM 502 C GLU A 54 21.353 4.330 6.260 1.00 19.26 C ATOM 503 O GLU A 54 21.736 3.983 5.185 1.00 17.85 O ATOM 504 CB GLU A 54 21.540 6.752 7.021 1.00 22.70 C ATOM 505 CG GLU A 54 20.929 8.129 6.931 1.00 26.24 C ATOM 506 CD GLU A 54 21.713 9.257 7.583 1.00 29.76 C ATOM 507 OE1 GLU A 54 21.371 10.424 7.266 1.00 39.69 O ATOM 508 OE2 GLU A 54 22.610 9.017 8.410 1.00 31.99 O ATOM 509 H GLU A 54 19.253 6.077 8.061 1.00 0.00 H ATOM 510 N LYS A 55 21.451 3.547 7.317 1.00 20.53 N ATOM 511 CA LYS A 55 22.025 2.193 7.216 1.00 22.77 C ATOM 512 C LYS A 55 21.211 1.216 6.336 1.00 22.11 C ATOM 513 O LYS A 55 21.725 0.163 5.946 1.00 23.69 O ATOM 514 CB LYS A 55 22.219 1.599 8.620 1.00 25.62 C ATOM 515 CG LYS A 55 23.202 0.449 8.679 1.00 31.12 C ATOM 516 CD LYS A 55 23.302 -0.221 10.058 1.00 35.39 C ATOM 517 CE LYS A 55 23.696 -1.684 9.935 1.00 35.31 C ATOM 518 NZ LYS A 55 24.228 -2.236 11.206 1.00 36.21 N ATOM 519 HZ1 LYS A 55 25.072 -1.698 11.490 1.00 0.00 H ATOM 520 HZ2 LYS A 55 23.502 -2.160 11.947 1.00 0.00 H ATOM 521 HZ3 LYS A 55 24.482 -3.235 11.069 1.00 0.00 H ATOM 522 H LYS A 55 21.117 3.892 8.240 1.00 0.00 H ATOM 523 N LEU A 56 19.938 1.516 6.061 1.00 20.77 N ATOM 524 CA LEU A 56 19.116 0.718 5.124 1.00 20.40 C ATOM 525 C LEU A 56 19.265 1.132 3.658 1.00 19.39 C ATOM 526 O LEU A 56 18.720 0.468 2.776 1.00 20.52 O ATOM 527 CB LEU A 56 17.619 0.758 5.528 1.00 20.53 C ATOM 528 CG LEU A 56 17.293 -0.138 6.714 1.00 20.74 C ATOM 529 CD1 LEU A 56 16.023 0.318 7.420 1.00 21.53 C ATOM 530 CD2 LEU A 56 17.220 -1.609 6.290 1.00 20.63 C ATOM 531 H LEU A 56 19.508 2.342 6.523 1.00 0.00 H ATOM 532 N GLY A 57 20.017 2.198 3.398 1.00 18.75 N ATOM 533 CA GLY A 57 20.193 2.744 2.046 1.00 18.18 C ATOM 534 C GLY A 57 19.305 3.941 1.774 1.00 17.84 C ATOM 535 O GLY A 57 19.365 4.480 0.691 1.00 17.37 O ATOM 536 H GLY A 57 20.503 2.667 4.189 1.00 0.00 H ATOM 537 N CYS A 58 18.518 4.400 2.761 1.00 17.22 N ATOM 538 CA CYS A 58 17.600 5.514 2.547 1.00 17.82 C ATOM 539 C CYS A 58 18.327 6.819 2.783 1.00 19.00 C ATOM 540 O CYS A 58 19.388 6.822 3.358 1.00 19.40 O ATOM 541 CB CYS A 58 16.387 5.425 3.478 1.00 16.37 C ATOM 542 SG CYS A 58 15.398 3.903 3.334 1.00 16.14 S ATOM 543 H CYS A 58 18.564 3.952 3.698 1.00 0.00 H ATOM 544 N GLU A 59 17.725 7.921 2.350 1.00 20.95 N ATOM 545 CA GLU A 59 18.246 9.285 2.566 1.00 21.90 C ATOM 546 C GLU A 59 17.169 10.120 3.259 1.00 20.18 C ATOM 547 O GLU A 59 16.618 11.044 2.676 1.00 17.30 O ATOM 548 CB GLU A 59 18.643 9.900 1.237 1.00 24.72 C ATOM 549 CG GLU A 59 19.742 9.130 0.512 1.00 29.00 C ATOM 550 CD GLU A 59 20.120 9.768 -0.820 1.00 33.33 C ATOM 551 OE1 GLU A 59 19.599 9.319 -1.855 1.00 44.42 O ATOM 552 OE2 GLU A 59 20.902 10.731 -0.845 1.00 37.05 O ATOM 553 H GLU A 59 16.832 7.816 1.827 1.00 0.00 H ATOM 554 N PRO A 60 16.861 9.798 4.532 1.00 19.95 N ATOM 555 CA PRO A 60 15.669 10.362 5.153 1.00 20.14 C ATOM 556 C PRO A 60 15.689 11.875 5.246 1.00 21.02 C ATOM 557 O PRO A 60 14.632 12.474 5.307 1.00 20.95 O ATOM 558 CB PRO A 60 15.656 9.737 6.537 1.00 19.19 C ATOM 559 CG PRO A 60 17.080 9.428 6.812 1.00 19.97 C ATOM 560 CD PRO A 60 17.640 9.002 5.485 1.00 20.34 C ATOM 561 N LYS A 61 16.875 12.490 5.242 1.00 23.33 N ATOM 562 CA LYS A 61 16.957 13.965 5.220 1.00 25.92 C ATOM 563 C LYS A 61 16.390 14.554 3.953 1.00 24.80 C ATOM 564 O LYS A 61 16.002 15.697 3.940 1.00 26.12 O ATOM 565 CB LYS A 61 18.405 14.445 5.418 1.00 29.86 C ATOM 566 CG LYS A 61 18.858 14.297 6.856 1.00 32.90 C ATOM 567 CD LYS A 61 20.364 14.398 7.036 1.00 39.53 C ATOM 568 CE LYS A 61 20.673 14.940 8.429 1.00 44.20 C ATOM 569 NZ LYS A 61 22.077 14.683 8.840 1.00 49.27 N ATOM 570 HZ1 LYS A 61 22.252 13.658 8.848 1.00 0.00 H ATOM 571 HZ2 LYS A 61 22.724 15.141 8.166 1.00 0.00 H ATOM 572 HZ3 LYS A 61 22.235 15.070 9.792 1.00 0.00 H ATOM 573 H LYS A 61 17.748 11.925 5.254 1.00 0.00 H ATOM 574 N LEU A 62 16.381 13.770 2.887 1.00 24.28 N ATOM 575 CA LEU A 62 15.907 14.209 1.587 1.00 26.88 C ATOM 576 C LEU A 62 14.551 13.610 1.143 1.00 25.68 C ATOM 577 O LEU A 62 13.892 14.184 0.288 1.00 25.79 O ATOM 578 CB LEU A 62 16.988 13.901 0.537 1.00 27.26 C ATOM 579 CG LEU A 62 18.390 14.519 0.787 1.00 29.44 C ATOM 580 CD1 LEU A 62 19.421 14.135 -0.287 1.00 29.87 C ATOM 581 CD2 LEU A 62 18.282 16.037 0.880 1.00 31.14 C ATOM 582 H LEU A 62 16.729 12.795 2.985 1.00 0.00 H ATOM 583 N GLU A 63 14.117 12.494 1.727 1.00 24.62 N ATOM 584 CA GLU A 63 12.975 11.780 1.169 1.00 24.88 C ATOM 585 C GLU A 63 11.716 12.647 1.267 1.00 23.47 C ATOM 586 O GLU A 63 11.527 13.366 2.230 1.00 23.67 O ATOM 587 CB GLU A 63 12.716 10.428 1.846 1.00 24.87 C ATOM 588 CG GLU A 63 13.881 9.441 1.915 1.00 26.28 C ATOM 589 CD GLU A 63 14.191 8.665 0.646 1.00 26.13 C ATOM 590 OE1 GLU A 63 13.432 8.768 -0.371 1.00 23.85 O ATOM 591 OE2 GLU A 63 15.235 7.951 0.704 1.00 24.21 O ATOM 592 H GLU A 63 14.592 12.133 2.579 1.00 0.00 H ATOM 593 N LYS A 64 10.891 12.584 0.227 1.00 25.86 N ATOM 594 CA LYS A 64 9.601 13.255 0.179 1.00 27.10 C ATOM 595 C LYS A 64 8.533 12.176 0.264 1.00 22.74 C ATOM 596 O LYS A 64 8.520 11.257 -0.534 1.00 23.43 O ATOM 597 CB LYS A 64 9.447 14.005 -1.149 1.00 33.80 C ATOM 598 CG LYS A 64 10.503 15.088 -1.397 1.00 39.77 C ATOM 599 CD LYS A 64 10.360 16.221 -0.391 1.00 44.05 C ATOM 600 CE LYS A 64 11.179 17.445 -0.785 1.00 50.08 C ATOM 601 NZ LYS A 64 10.635 18.165 -1.980 1.00 54.87 N ATOM 602 HZ1 LYS A 64 10.623 17.520 -2.796 1.00 0.00 H ATOM 603 HZ2 LYS A 64 9.667 18.488 -1.778 1.00 0.00 H ATOM 604 HZ3 LYS A 64 11.238 18.985 -2.193 1.00 0.00 H ATOM 605 H LYS A 64 11.184 12.024 -0.599 1.00 0.00 H ATOM 606 N TYR A 65 7.637 12.285 1.218 1.00 19.05 N ATOM 607 CA TYR A 65 6.587 11.272 1.399 1.00 18.39 C ATOM 608 C TYR A 65 5.224 11.943 1.364 1.00 18.14 C ATOM 609 O TYR A 65 5.119 13.166 1.240 1.00 18.16 O ATOM 610 CB TYR A 65 6.787 10.517 2.704 1.00 16.73 C ATOM 611 CG TYR A 65 6.849 11.392 3.912 1.00 16.09 C ATOM 612 CD1 TYR A 65 5.692 11.860 4.519 1.00 16.37 C ATOM 613 CD2 TYR A 65 8.081 11.726 4.483 1.00 15.54 C ATOM 614 CE1 TYR A 65 5.750 12.684 5.653 1.00 17.03 C ATOM 615 CE2 TYR A 65 8.157 12.523 5.614 1.00 16.01 C ATOM 616 CZ TYR A 65 7.000 13.028 6.184 1.00 16.35 C ATOM 617 OH TYR A 65 7.073 13.785 7.294 1.00 15.15 O ATOM 618 HH TYR A 65 7.491 13.261 8.023 1.00 0.00 H ATOM 619 H TYR A 65 7.671 13.104 1.858 1.00 0.00 H ATOM 620 N LEU A 66 4.188 11.137 1.518 1.00 17.65 N ATOM 621 CA LEU A 66 2.827 11.621 1.620 1.00 17.63 C ATOM 622 C LEU A 66 2.211 11.201 2.929 1.00 17.58 C ATOM 623 O LEU A 66 2.441 10.086 3.438 1.00 17.25 O ATOM 624 CB LEU A 66 1.995 11.056 0.459 1.00 18.23 C ATOM 625 CG LEU A 66 2.535 11.241 -0.968 1.00 18.52 C ATOM 626 CD1 LEU A 66 1.777 10.333 -1.956 1.00 18.35 C ATOM 627 CD2 LEU A 66 2.454 12.698 -1.388 1.00 18.06 C ATOM 628 H LEU A 66 4.357 10.112 1.568 1.00 0.00 H ATOM 629 N PHE A 67 1.397 12.087 3.475 1.00 17.31 N ATOM 630 CA PHE A 67 0.656 11.769 4.659 1.00 17.54 C ATOM 631 C PHE A 67 -0.642 12.534 4.808 1.00 18.76 C ATOM 632 O PHE A 67 -0.804 13.617 4.250 1.00 17.78 O ATOM 633 CB PHE A 67 1.539 11.984 5.896 1.00 17.47 C ATOM 634 CG PHE A 67 1.624 13.412 6.358 1.00 17.15 C ATOM 635 CD1 PHE A 67 2.473 14.300 5.744 1.00 17.25 C ATOM 636 CD2 PHE A 67 0.875 13.853 7.437 1.00 18.00 C ATOM 637 CE1 PHE A 67 2.578 15.610 6.178 1.00 17.63 C ATOM 638 CE2 PHE A 67 0.972 15.165 7.877 1.00 18.13 C ATOM 639 CZ PHE A 67 1.836 16.033 7.253 1.00 17.79 C ATOM 640 H PHE A 67 1.293 13.026 3.040 1.00 0.00 H ATOM 641 N SER A 68 -1.548 11.955 5.591 1.00 20.68 N ATOM 642 CA SER A 68 -2.775 12.633 6.013 1.00 22.65 C ATOM 643 C SER A 68 -2.966 12.411 7.501 1.00 26.69 C ATOM 644 O SER A 68 -2.318 11.542 8.102 1.00 25.73 O ATOM 645 CB SER A 68 -3.997 12.111 5.238 1.00 22.19 C ATOM 646 OG SER A 68 -4.192 10.733 5.475 1.00 21.60 O ATOM 647 HG SER A 68 -4.982 10.421 4.967 1.00 0.00 H ATOM 648 H SER A 68 -1.378 10.982 5.916 1.00 0.00 H ATOM 649 N VAL A 69 -3.840 13.233 8.077 1.00 31.39 N ATOM 650 CA VAL A 69 -4.292 13.123 9.453 1.00 34.95 C ATOM 651 C VAL A 69 -5.830 13.108 9.558 1.00 37.75 C ATOM 652 O VAL A 69 -6.488 14.049 9.115 1.00 38.02 O ATOM 653 CB VAL A 69 -3.805 14.323 10.286 1.00 37.46 C ATOM 654 CG1 VAL A 69 -4.093 14.070 11.763 1.00 40.37 C ATOM 655 CG2 VAL A 69 -2.327 14.578 10.066 1.00 37.22 C ATOM 656 H VAL A 69 -4.226 14.008 7.502 1.00 0.00 H ATOM 657 N SER A 70 -6.375 12.064 10.177 1.00 41.11 N ATOM 658 CA SER A 70 -7.792 11.950 10.485 1.00 42.45 C ATOM 659 C SER A 70 -7.916 11.876 12.021 1.00 48.12 C ATOM 660 O SER A 70 -7.188 12.568 12.723 1.00 51.92 O ATOM 661 CB SER A 70 -8.362 10.708 9.773 1.00 43.25 C ATOM 662 OG SER A 70 -8.052 9.493 10.449 1.00 45.66 O ATOM 663 HG SER A 70 -8.441 8.731 9.951 1.00 0.00 H ATOM 664 H SER A 70 -5.750 11.282 10.458 1.00 0.00 H ATOM 665 N GLU A 71 -8.836 11.064 12.528 1.00 49.84 N ATOM 666 CA GLU A 71 -9.047 10.864 13.957 1.00 53.17 C ATOM 667 C GLU A 71 -8.404 9.551 14.357 1.00 55.30 C ATOM 668 O GLU A 71 -7.943 9.408 15.487 1.00 57.42 O ATOM 669 CB GLU A 71 -10.547 10.777 14.279 1.00 62.89 C ATOM 670 CG GLU A 71 -11.464 11.793 13.581 1.00 66.90 C ATOM 671 CD GLU A 71 -12.902 11.290 13.393 1.00 75.30 C ATOM 672 OE1 GLU A 71 -13.826 12.137 13.321 1.00 76.19 O ATOM 673 OE2 GLU A 71 -13.126 10.056 13.312 1.00 76.99 O ATOM 674 H GLU A 71 -9.443 10.539 11.866 1.00 0.00 H ATOM 675 N ARG A 72 -8.436 8.572 13.443 1.00 54.54 N ATOM 676 CA ARG A 72 -7.610 7.361 13.525 1.00 51.67 C ATOM 677 C ARG A 72 -6.115 7.644 13.641 1.00 45.39 C ATOM 678 O ARG A 72 -5.355 6.776 14.085 1.00 46.19 O ATOM 679 CB ARG A 72 -7.817 6.474 12.293 1.00 58.16 C ATOM 680 CG ARG A 72 -8.902 5.421 12.434 1.00 62.65 C ATOM 681 CD ARG A 72 -9.341 4.928 11.071 1.00 66.87 C ATOM 682 NE ARG A 72 -10.061 6.000 10.382 1.00 73.63 N ATOM 683 CZ ARG A 72 -11.388 6.122 10.272 1.00 77.84 C ATOM 684 NH1 ARG A 72 -12.227 5.217 10.786 1.00 73.94 N ATOM 685 NH2 ARG A 72 -11.885 7.179 9.621 1.00 79.35 N ATOM 686 HE ARG A 72 -9.484 6.740 9.934 1.00 0.00 H ATOM 687 HH12 ARG A 72 -13.254 5.342 10.682 1.00 0.00 H ATOM 688 HH11 ARG A 72 -11.852 4.388 11.289 1.00 0.00 H ATOM 689 HH22 ARG A 72 -12.914 7.293 9.524 1.00 0.00 H ATOM 690 HH21 ARG A 72 -11.242 7.887 9.212 1.00 0.00 H ATOM 691 H ARG A 72 -9.080 8.675 12.633 1.00 0.00 H ATOM 692 N GLY A 73 -5.686 8.821 13.191 1.00 38.90 N ATOM 693 CA GLY A 73 -4.328 9.288 13.445 1.00 36.76 C ATOM 694 C GLY A 73 -3.631 9.735 12.176 1.00 31.96 C ATOM 695 O GLY A 73 -4.227 10.420 11.358 1.00 32.23 O ATOM 696 H GLY A 73 -6.335 9.422 12.645 1.00 0.00 H ATOM 697 N ILE A 74 -2.355 9.397 12.054 1.00 27.83 N ATOM 698 CA ILE A 74 -1.530 9.848 10.942 1.00 25.28 C ATOM 699 C ILE A 74 -1.314 8.683 10.026 1.00 21.99 C ATOM 700 O ILE A 74 -0.846 7.648 10.480 1.00 20.11 O ATOM 701 CB ILE A 74 -0.146 10.293 11.398 1.00 26.32 C ATOM 702 CG1 ILE A 74 -0.253 11.531 12.287 1.00 27.86 C ATOM 703 CG2 ILE A 74 0.762 10.553 10.182 1.00 26.71 C ATOM 704 CD1 ILE A 74 0.986 11.733 13.130 1.00 26.48 C ATOM 705 H ILE A 74 -1.927 8.787 12.780 1.00 0.00 H ATOM 706 N PHE A 75 -1.613 8.877 8.744 1.00 21.26 N ATOM 707 CA PHE A 75 -1.469 7.822 7.728 1.00 20.39 C ATOM 708 C PHE A 75 -0.330 8.202 6.796 1.00 18.98 C ATOM 709 O PHE A 75 -0.349 9.294 6.218 1.00 18.21 O ATOM 710 CB PHE A 75 -2.753 7.640 6.922 1.00 18.97 C ATOM 711 CG PHE A 75 -2.615 6.641 5.834 1.00 17.83 C ATOM 712 CD1 PHE A 75 -2.658 5.279 6.120 1.00 18.92 C ATOM 713 CD2 PHE A 75 -2.446 7.047 4.517 1.00 17.70 C ATOM 714 CE1 PHE A 75 -2.491 4.320 5.106 1.00 18.82 C ATOM 715 CE2 PHE A 75 -2.277 6.109 3.505 1.00 18.52 C ATOM 716 CZ PHE A 75 -2.305 4.737 3.804 1.00 18.35 C ATOM 717 H PHE A 75 -1.962 9.811 8.448 1.00 0.00 H ATOM 718 N CYS A 76 0.629 7.287 6.652 1.00 16.91 N ATOM 719 CA CYS A 76 1.868 7.526 5.919 1.00 16.86 C ATOM 720 C CYS A 76 1.813 6.791 4.587 1.00 16.85 C ATOM 721 O CYS A 76 1.273 5.687 4.501 1.00 16.75 O ATOM 722 CB CYS A 76 3.062 6.958 6.708 1.00 16.93 C ATOM 723 SG CYS A 76 3.739 8.057 7.967 1.00 16.79 S ATOM 724 H CYS A 76 0.486 6.352 7.085 1.00 0.00 H ATOM 725 N ALA A 77 2.447 7.373 3.580 1.00 15.57 N ATOM 726 CA ALA A 77 2.436 6.805 2.251 1.00 15.65 C ATOM 727 C ALA A 77 3.587 7.330 1.427 1.00 15.51 C ATOM 728 O ALA A 77 4.276 8.282 1.808 1.00 14.41 O ATOM 729 CB ALA A 77 1.102 7.124 1.553 1.00 16.44 C ATOM 730 H ALA A 77 2.965 8.259 3.750 1.00 0.00 H ATOM 731 N GLY A 78 3.776 6.699 0.279 1.00 15.71 N ATOM 732 CA GLY A 78 4.867 7.051 -0.626 1.00 16.29 C ATOM 733 C GLY A 78 5.119 5.946 -1.616 1.00 16.50 C ATOM 734 O GLY A 78 4.814 4.776 -1.358 1.00 14.64 O ATOM 735 H GLY A 78 3.128 5.930 0.013 1.00 0.00 H ATOM 736 N ARG A 79 5.680 6.341 -2.750 1.00 17.93 N ATOM 737 CA ARG A 79 6.020 5.408 -3.828 1.00 18.27 C ATOM 738 C ARG A 79 7.020 4.339 -3.345 1.00 18.29 C ATOM 739 O ARG A 79 6.907 3.156 -3.683 1.00 18.08 O ATOM 740 CB ARG A 79 6.599 6.206 -5.001 1.00 18.45 C ATOM 741 CG ARG A 79 6.757 5.440 -6.303 1.00 19.32 C ATOM 742 CD ARG A 79 7.369 6.343 -7.361 1.00 19.36 C ATOM 743 NE ARG A 79 8.756 6.680 -7.070 1.00 19.54 N ATOM 744 CZ ARG A 79 9.791 5.866 -7.279 1.00 19.62 C ATOM 745 NH1 ARG A 79 9.628 4.642 -7.770 1.00 19.34 N ATOM 746 NH2 ARG A 79 11.002 6.291 -6.996 1.00 19.89 N ATOM 747 HE ARG A 79 8.952 7.620 -6.672 1.00 0.00 H ATOM 748 HH12 ARG A 79 10.454 4.029 -7.923 1.00 0.00 H ATOM 749 HH11 ARG A 79 8.674 4.297 -8.002 1.00 0.00 H ATOM 750 HH22 ARG A 79 11.821 5.670 -7.153 1.00 0.00 H ATOM 751 HH21 ARG A 79 11.141 7.249 -6.615 1.00 0.00 H ATOM 752 H ARG A 79 5.887 7.352 -2.880 1.00 0.00 H ATOM 753 N THR A 80 8.004 4.765 -2.552 1.00 17.43 N ATOM 754 CA THR A 80 9.050 3.843 -2.102 1.00 17.12 C ATOM 755 C THR A 80 8.994 3.558 -0.600 1.00 16.46 C ATOM 756 O THR A 80 8.437 4.318 0.222 1.00 15.89 O ATOM 757 CB THR A 80 10.448 4.373 -2.390 1.00 17.74 C ATOM 758 OG1 THR A 80 10.698 5.513 -1.552 1.00 16.72 O ATOM 759 CG2 THR A 80 10.624 4.755 -3.871 1.00 17.89 C ATOM 760 HG1 THR A 80 11.606 5.863 -1.735 1.00 0.00 H ATOM 761 H THR A 80 8.029 5.760 -2.250 1.00 0.00 H ATOM 762 N THR A 81 9.595 2.434 -0.264 1.00 15.37 N ATOM 763 CA THR A 81 9.655 1.994 1.089 1.00 15.53 C ATOM 764 C THR A 81 10.460 3.005 1.923 1.00 14.95 C ATOM 765 O THR A 81 10.101 3.282 3.077 1.00 15.37 O ATOM 766 CB THR A 81 10.297 0.584 1.174 1.00 15.18 C ATOM 767 OG1 THR A 81 9.607 -0.314 0.287 1.00 15.98 O ATOM 768 CG2 THR A 81 10.170 0.046 2.554 1.00 15.81 C ATOM 769 HG1 THR A 81 10.019 -1.213 0.343 1.00 0.00 H ATOM 770 H THR A 81 10.036 1.854 -1.006 1.00 0.00 H ATOM 771 N CYS A 82 11.535 3.537 1.353 1.00 14.33 N ATOM 772 CA CYS A 82 12.300 4.571 2.038 1.00 15.08 C ATOM 773 C CYS A 82 11.489 5.799 2.386 1.00 14.80 C ATOM 774 O CYS A 82 11.699 6.380 3.432 1.00 15.07 O ATOM 775 CB CYS A 82 13.535 4.988 1.255 1.00 15.65 C ATOM 776 SG CYS A 82 14.926 3.845 1.377 1.00 16.46 S ATOM 777 H CYS A 82 11.833 3.213 0.411 1.00 0.00 H ATOM 778 N GLN A 83 10.593 6.220 1.502 1.00 15.82 N ATOM 779 CA GLN A 83 9.737 7.406 1.767 1.00 15.20 C ATOM 780 C GLN A 83 8.787 7.059 2.914 1.00 15.06 C ATOM 781 O GLN A 83 8.551 7.863 3.806 1.00 14.37 O ATOM 782 CB GLN A 83 8.944 7.798 0.506 1.00 15.32 C ATOM 783 CG GLN A 83 9.803 8.348 -0.618 1.00 16.21 C ATOM 784 CD GLN A 83 9.155 8.372 -2.015 1.00 18.25 C ATOM 785 OE1 GLN A 83 8.263 7.616 -2.359 1.00 17.96 O ATOM 786 NE2 GLN A 83 9.685 9.229 -2.855 1.00 20.64 N ATOM 787 HE22 GLN A 83 10.445 9.864 -2.539 1.00 0.00 H ATOM 788 HE21 GLN A 83 9.345 9.273 -3.837 1.00 0.00 H ATOM 789 H GLN A 83 10.487 5.708 0.603 1.00 0.00 H ATOM 790 N ARG A 84 8.232 5.842 2.877 1.00 14.67 N ATOM 791 CA ARG A 84 7.307 5.413 3.904 1.00 14.72 C ATOM 792 C ARG A 84 8.017 5.299 5.277 1.00 14.24 C ATOM 793 O ARG A 84 7.467 5.721 6.308 1.00 13.02 O ATOM 794 CB ARG A 84 6.567 4.133 3.466 1.00 15.99 C ATOM 795 CG ARG A 84 5.645 4.372 2.242 1.00 17.20 C ATOM 796 CD ARG A 84 5.109 3.083 1.589 1.00 19.66 C ATOM 797 NE ARG A 84 4.153 2.424 2.460 1.00 21.97 N ATOM 798 CZ ARG A 84 3.292 1.468 2.111 1.00 26.28 C ATOM 799 NH1 ARG A 84 3.244 0.979 0.848 1.00 26.32 N ATOM 800 NH2 ARG A 84 2.469 0.969 3.059 1.00 25.32 N ATOM 801 HE ARG A 84 4.138 2.728 3.455 1.00 0.00 H ATOM 802 HH12 ARG A 84 2.561 0.233 0.605 1.00 0.00 H ATOM 803 HH11 ARG A 84 3.890 1.350 0.122 1.00 0.00 H ATOM 804 HH22 ARG A 84 1.787 0.222 2.815 1.00 0.00 H ATOM 805 HH21 ARG A 84 2.517 1.331 4.033 1.00 0.00 H ATOM 806 H ARG A 84 8.469 5.195 2.098 1.00 0.00 H ATOM 807 N LEU A 85 9.269 4.834 5.271 1.00 13.74 N ATOM 808 CA LEU A 85 10.049 4.714 6.523 1.00 13.67 C ATOM 809 C LEU A 85 10.328 6.097 7.062 1.00 13.30 C ATOM 810 O LEU A 85 10.248 6.323 8.246 1.00 12.61 O ATOM 811 CB LEU A 85 11.367 3.991 6.278 1.00 14.09 C ATOM 812 CG LEU A 85 11.272 2.480 6.054 1.00 14.77 C ATOM 813 CD1 LEU A 85 12.581 2.016 5.416 1.00 14.77 C ATOM 814 CD2 LEU A 85 11.000 1.776 7.377 1.00 15.43 C ATOM 815 H LEU A 85 9.704 4.551 4.370 1.00 0.00 H ATOM 816 N THR A 86 10.631 7.034 6.177 1.00 13.32 N ATOM 817 CA THR A 86 10.888 8.391 6.636 1.00 13.87 C ATOM 818 C THR A 86 9.694 8.976 7.356 1.00 14.04 C ATOM 819 O THR A 86 9.834 9.509 8.466 1.00 13.42 O ATOM 820 CB THR A 86 11.367 9.269 5.495 1.00 13.60 C ATOM 821 OG1 THR A 86 12.540 8.659 4.936 1.00 13.67 O ATOM 822 CG2 THR A 86 11.737 10.653 5.980 1.00 13.58 C ATOM 823 HG1 THR A 86 12.313 7.755 4.603 1.00 0.00 H ATOM 824 H THR A 86 10.685 6.803 5.164 1.00 0.00 H ATOM 825 N CYS A 87 8.524 8.794 6.741 1.00 14.37 N ATOM 826 CA CYS A 87 7.251 9.182 7.319 1.00 14.69 C ATOM 827 C CYS A 87 6.990 8.530 8.655 1.00 14.94 C ATOM 828 O CYS A 87 6.526 9.188 9.552 1.00 14.79 O ATOM 829 CB CYS A 87 6.097 8.868 6.354 1.00 15.26 C ATOM 830 SG CYS A 87 4.518 9.571 6.854 1.00 15.74 S ATOM 831 H CYS A 87 8.525 8.352 5.800 1.00 0.00 H ATOM 832 N GLU A 88 7.278 7.237 8.790 1.00 15.52 N ATOM 833 CA GLU A 88 7.173 6.590 10.089 1.00 16.61 C ATOM 834 C GLU A 88 8.087 7.189 11.198 1.00 15.17 C ATOM 835 O GLU A 88 7.636 7.379 12.318 1.00 13.47 O ATOM 836 CB GLU A 88 7.402 5.064 9.987 1.00 18.17 C ATOM 837 CG GLU A 88 6.266 4.361 9.257 1.00 20.92 C ATOM 838 CD GLU A 88 4.938 4.380 10.026 1.00 21.34 C ATOM 839 OE1 GLU A 88 4.966 4.275 11.275 1.00 20.26 O ATOM 840 OE2 GLU A 88 3.881 4.466 9.358 1.00 23.86 O ATOM 841 H GLU A 88 7.580 6.686 7.961 1.00 0.00 H ATOM 842 N CYS A 89 9.350 7.432 10.907 1.00 15.03 N ATOM 843 CA CYS A 89 10.228 8.156 11.870 1.00 15.73 C ATOM 844 C CYS A 89 9.624 9.535 12.263 1.00 15.58 C ATOM 845 O CYS A 89 9.525 9.856 13.443 1.00 15.82 O ATOM 846 CB CYS A 89 11.634 8.389 11.279 1.00 15.22 C ATOM 847 SG CYS A 89 12.697 6.949 11.078 1.00 15.46 S ATOM 848 H CYS A 89 9.738 7.115 9.996 1.00 0.00 H ATOM 849 N ASP A 90 9.192 10.319 11.277 1.00 15.53 N ATOM 850 CA ASP A 90 8.627 11.650 11.557 1.00 16.17 C ATOM 851 C ASP A 90 7.348 11.540 12.402 1.00 17.31 C ATOM 852 O ASP A 90 7.120 12.338 13.317 1.00 16.95 O ATOM 853 CB ASP A 90 8.336 12.376 10.237 1.00 16.47 C ATOM 854 CG ASP A 90 9.602 12.770 9.491 1.00 16.81 C ATOM 855 OD1 ASP A 90 10.727 12.444 9.908 1.00 17.47 O ATOM 856 OD2 ASP A 90 9.496 13.425 8.466 1.00 16.64 O ATOM 857 H ASP A 90 9.255 9.986 10.294 1.00 0.00 H ATOM 858 N LYS A 91 6.503 10.562 12.061 1.00 17.42 N ATOM 859 CA LYS A 91 5.234 10.341 12.727 1.00 18.07 C ATOM 860 C LYS A 91 5.472 10.046 14.204 1.00 17.81 C ATOM 861 O LYS A 91 4.839 10.648 15.069 1.00 17.24 O ATOM 862 CB LYS A 91 4.436 9.179 12.030 1.00 19.12 C ATOM 863 CG LYS A 91 3.238 8.636 12.813 1.00 19.35 C ATOM 864 CD LYS A 91 2.441 7.577 12.053 1.00 20.81 C ATOM 865 CE LYS A 91 1.611 6.758 13.011 1.00 21.85 C ATOM 866 NZ LYS A 91 0.805 5.735 12.318 1.00 24.37 N ATOM 867 HZ1 LYS A 91 0.160 6.199 11.647 1.00 0.00 H ATOM 868 HZ2 LYS A 91 1.436 5.088 11.803 1.00 0.00 H ATOM 869 HZ3 LYS A 91 0.253 5.199 13.017 1.00 0.00 H ATOM 870 H LYS A 91 6.769 9.929 11.280 1.00 0.00 H ATOM 871 N ARG A 92 6.387 9.126 14.482 1.00 19.02 N ATOM 872 CA ARG A 92 6.730 8.785 15.868 1.00 20.15 C ATOM 873 C ARG A 92 7.207 10.019 16.646 1.00 18.78 C ATOM 874 O ARG A 92 6.778 10.241 17.772 1.00 19.93 O ATOM 875 CB ARG A 92 7.736 7.648 15.921 1.00 22.72 C ATOM 876 CG ARG A 92 7.653 6.861 17.213 1.00 28.56 C ATOM 877 CD ARG A 92 8.471 5.563 17.201 1.00 32.69 C ATOM 878 NE ARG A 92 8.094 4.731 16.052 1.00 33.88 N ATOM 879 CZ ARG A 92 8.861 4.448 15.008 1.00 37.05 C ATOM 880 NH1 ARG A 92 10.126 4.875 14.926 1.00 40.05 N ATOM 881 NH2 ARG A 92 8.370 3.679 14.045 1.00 37.80 N ATOM 882 HE ARG A 92 7.136 4.326 16.057 1.00 0.00 H ATOM 883 HH12 ARG A 92 10.702 4.636 14.094 1.00 0.00 H ATOM 884 HH11 ARG A 92 10.533 5.446 15.694 1.00 0.00 H ATOM 885 HH22 ARG A 92 8.955 3.445 13.217 1.00 0.00 H ATOM 886 HH21 ARG A 92 7.400 3.310 14.118 1.00 0.00 H ATOM 887 H ARG A 92 6.871 8.637 13.702 1.00 0.00 H ATOM 888 N ALA A 93 8.015 10.859 16.003 1.00 17.60 N ATOM 889 CA ALA A 93 8.468 12.137 16.581 1.00 17.91 C ATOM 890 C ALA A 93 7.346 13.123 16.843 1.00 17.63 C ATOM 891 O ALA A 93 7.276 13.699 17.931 1.00 17.88 O ATOM 892 CB ALA A 93 9.565 12.770 15.721 1.00 16.80 C ATOM 893 H ALA A 93 8.341 10.602 15.050 1.00 0.00 H ATOM 894 N ALA A 94 6.452 13.307 15.867 1.00 18.34 N ATOM 895 CA ALA A 94 5.367 14.272 16.002 1.00 17.89 C ATOM 896 C ALA A 94 4.417 13.834 17.108 1.00 18.19 C ATOM 897 O ALA A 94 3.959 14.645 17.909 1.00 18.67 O ATOM 898 CB ALA A 94 4.632 14.460 14.672 1.00 19.24 C ATOM 899 H ALA A 94 6.532 12.750 14.992 1.00 0.00 H ATOM 900 N LEU A 95 4.179 12.531 17.189 1.00 18.41 N ATOM 901 CA LEU A 95 3.343 11.980 18.249 1.00 18.45 C ATOM 902 C LEU A 95 3.988 12.145 19.587 1.00 17.65 C ATOM 903 O LEU A 95 3.326 12.496 20.550 1.00 16.73 O ATOM 904 CB LEU A 95 3.015 10.517 18.004 1.00 19.06 C ATOM 905 CG LEU A 95 2.001 10.157 16.892 1.00 19.99 C ATOM 906 CD1 LEU A 95 1.983 8.635 16.659 1.00 19.23 C ATOM 907 CD2 LEU A 95 0.596 10.627 17.257 1.00 20.36 C ATOM 908 H LEU A 95 4.596 11.891 16.483 1.00 0.00 H ATOM 909 N CYS A 96 5.292 11.904 19.632 1.00 19.66 N ATOM 910 CA CYS A 96 6.077 12.127 20.829 1.00 19.52 C ATOM 911 C CYS A 96 6.009 13.599 21.290 1.00 20.08 C ATOM 912 O CYS A 96 5.730 13.859 22.465 1.00 18.78 O ATOM 913 CB CYS A 96 7.493 11.646 20.598 1.00 19.88 C ATOM 914 SG CYS A 96 8.580 11.666 22.046 1.00 19.58 S ATOM 915 H CYS A 96 5.766 11.543 18.780 1.00 0.00 H ATOM 916 N PHE A 97 6.182 14.549 20.369 1.00 20.34 N ATOM 917 CA PHE A 97 5.996 15.989 20.702 1.00 20.44 C ATOM 918 C PHE A 97 4.615 16.300 21.309 1.00 22.18 C ATOM 919 O PHE A 97 4.525 16.892 22.399 1.00 22.05 O ATOM 920 CB PHE A 97 6.185 16.912 19.501 1.00 19.73 C ATOM 921 CG PHE A 97 7.542 16.877 18.862 1.00 19.70 C ATOM 922 CD1 PHE A 97 8.717 16.596 19.585 1.00 18.82 C ATOM 923 CD2 PHE A 97 7.663 17.212 17.511 1.00 19.87 C ATOM 924 CE1 PHE A 97 9.963 16.619 18.952 1.00 17.91 C ATOM 925 CE2 PHE A 97 8.905 17.219 16.876 1.00 18.95 C ATOM 926 CZ PHE A 97 10.063 16.944 17.613 1.00 18.19 C ATOM 927 H PHE A 97 6.452 14.279 19.401 1.00 0.00 H ATOM 928 N ARG A 98 3.556 15.902 20.609 1.00 22.80 N ATOM 929 CA ARG A 98 2.194 16.081 21.102 1.00 23.46 C ATOM 930 C ARG A 98 2.034 15.522 22.506 1.00 23.41 C ATOM 931 O ARG A 98 1.434 16.166 23.367 1.00 24.80 O ATOM 932 CB ARG A 98 1.152 15.408 20.182 1.00 23.89 C ATOM 933 CG ARG A 98 -0.288 15.547 20.676 1.00 24.29 C ATOM 934 CD ARG A 98 -1.331 15.071 19.666 1.00 24.86 C ATOM 935 NE ARG A 98 -1.561 13.626 19.726 1.00 24.85 N ATOM 936 CZ ARG A 98 -2.486 12.985 19.008 1.00 24.05 C ATOM 937 NH1 ARG A 98 -3.280 13.660 18.194 1.00 24.11 N ATOM 938 NH2 ARG A 98 -2.621 11.679 19.112 1.00 22.51 N ATOM 939 HE ARG A 98 -0.967 13.064 20.368 1.00 0.00 H ATOM 940 HH12 ARG A 98 -4.000 13.158 17.636 1.00 0.00 H ATOM 941 HH11 ARG A 98 -3.185 14.692 18.112 1.00 0.00 H ATOM 942 HH22 ARG A 98 -3.343 11.185 18.550 1.00 0.00 H ATOM 943 HH21 ARG A 98 -2.005 11.142 19.756 1.00 0.00 H ATOM 944 H ARG A 98 3.703 15.450 19.684 1.00 0.00 H ATOM 945 N ARG A 99 2.543 14.321 22.717 1.00 22.73 N ATOM 946 CA ARG A 99 2.382 13.616 23.982 1.00 25.99 C ATOM 947 C ARG A 99 3.059 14.350 25.165 1.00 26.55 C ATOM 948 O ARG A 99 2.593 14.311 26.297 1.00 26.70 O ATOM 949 CB ARG A 99 2.978 12.212 23.853 1.00 28.28 C ATOM 950 CG ARG A 99 2.686 11.253 24.995 1.00 29.61 C ATOM 951 CD ARG A 99 3.652 10.073 24.915 1.00 32.33 C ATOM 952 NE ARG A 99 3.743 9.610 23.532 1.00 36.67 N ATOM 953 CZ ARG A 99 4.832 9.170 22.894 1.00 31.83 C ATOM 954 NH1 ARG A 99 6.030 9.066 23.473 1.00 30.61 N ATOM 955 NH2 ARG A 99 4.687 8.811 21.634 1.00 30.18 N ATOM 956 HE ARG A 99 2.861 9.624 22.982 1.00 0.00 H ATOM 957 HH12 ARG A 99 6.843 8.717 22.927 1.00 0.00 H ATOM 958 HH11 ARG A 99 6.150 9.334 24.471 1.00 0.00 H ATOM 959 HH22 ARG A 99 5.505 8.462 21.095 1.00 0.00 H ATOM 960 HH21 ARG A 99 3.754 8.877 21.179 1.00 0.00 H ATOM 961 H ARG A 99 3.078 13.862 21.952 1.00 0.00 H ATOM 962 N ASN A 100 4.157 15.013 24.872 1.00 24.43 N ATOM 963 CA ASN A 100 4.884 15.779 25.856 1.00 25.31 C ATOM 964 C ASN A 100 4.613 17.267 25.785 1.00 25.34 C ATOM 965 O ASN A 100 5.399 18.048 26.307 1.00 25.27 O ATOM 966 CB ASN A 100 6.358 15.483 25.663 1.00 24.36 C ATOM 967 CG ASN A 100 6.679 14.081 26.071 1.00 24.16 C ATOM 968 OD1 ASN A 100 6.698 13.795 27.266 1.00 25.24 O ATOM 969 ND2 ASN A 100 6.874 13.185 25.100 1.00 23.20 N ATOM 970 HD22 ASN A 100 6.847 13.483 24.104 1.00 0.00 H ATOM 971 HD21 ASN A 100 7.053 12.189 25.340 1.00 0.00 H ATOM 972 H ASN A 100 4.514 14.984 23.896 1.00 0.00 H ATOM 973 N LEU A 101 3.487 17.681 25.203 1.00 26.00 N ATOM 974 CA LEU A 101 3.166 19.121 25.199 1.00 28.36 C ATOM 975 C LEU A 101 3.176 19.713 26.600 1.00 28.13 C ATOM 976 O LEU A 101 3.528 20.885 26.750 1.00 28.20 O ATOM 977 CB LEU A 101 1.817 19.441 24.524 1.00 27.95 C ATOM 978 CG LEU A 101 1.895 19.511 22.994 1.00 30.96 C ATOM 979 CD1 LEU A 101 0.498 19.702 22.400 1.00 31.90 C ATOM 980 CD2 LEU A 101 2.842 20.597 22.483 1.00 30.61 C ATOM 981 H LEU A 101 2.843 16.997 24.757 1.00 0.00 H ATOM 982 N GLY A 102 2.803 18.897 27.599 1.00 28.46 N ATOM 983 CA GLY A 102 2.731 19.297 28.993 1.00 26.83 C ATOM 984 C GLY A 102 4.027 19.753 29.623 1.00 27.23 C ATOM 985 O GLY A 102 3.983 20.473 30.602 1.00 27.03 O ATOM 986 H GLY A 102 2.550 17.917 27.359 1.00 0.00 H ATOM 987 N THR A 103 5.179 19.316 29.109 1.00 26.53 N ATOM 988 CA THR A 103 6.478 19.759 29.660 1.00 25.28 C ATOM 989 C THR A 103 7.309 20.559 28.686 1.00 24.64 C ATOM 990 O THR A 103 8.465 20.874 28.995 1.00 26.06 O ATOM 991 CB THR A 103 7.314 18.568 30.150 1.00 27.54 C ATOM 992 OG1 THR A 103 7.557 17.668 29.059 1.00 25.23 O ATOM 993 CG2 THR A 103 6.576 17.849 31.313 1.00 27.91 C ATOM 994 HG1 THR A 103 8.049 18.144 28.344 1.00 0.00 H ATOM 995 H THR A 103 5.163 18.653 28.308 1.00 0.00 H ATOM 996 N TYR A 104 6.747 20.868 27.515 1.00 23.36 N ATOM 997 CA TYR A 104 7.387 21.789 26.574 1.00 25.27 C ATOM 998 C TYR A 104 7.683 23.120 27.315 1.00 23.65 C ATOM 999 O TYR A 104 6.800 23.688 27.936 1.00 23.20 O ATOM 1000 CB TYR A 104 6.512 22.058 25.317 1.00 23.89 C ATOM 1001 CG TYR A 104 7.218 22.939 24.286 1.00 23.84 C ATOM 1002 CD1 TYR A 104 7.199 24.339 24.385 1.00 23.28 C ATOM 1003 CD2 TYR A 104 7.916 22.372 23.213 1.00 23.91 C ATOM 1004 CE1 TYR A 104 7.844 25.140 23.460 1.00 22.44 C ATOM 1005 CE2 TYR A 104 8.578 23.167 22.291 1.00 23.64 C ATOM 1006 CZ TYR A 104 8.554 24.557 22.428 1.00 23.67 C ATOM 1007 OH TYR A 104 9.246 25.330 21.501 1.00 21.90 O ATOM 1008 HH TYR A 104 9.138 26.288 21.726 1.00 0.00 H ATOM 1009 H TYR A 104 5.831 20.444 27.265 1.00 0.00 H ATOM 1010 N ASN A 105 8.919 23.585 27.234 1.00 24.85 N ATOM 1011 CA ASN A 105 9.334 24.827 27.877 1.00 25.80 C ATOM 1012 C ASN A 105 10.013 25.698 26.830 1.00 27.84 C ATOM 1013 O ASN A 105 11.016 25.283 26.177 1.00 25.36 O ATOM 1014 CB ASN A 105 10.305 24.544 29.018 1.00 26.77 C ATOM 1015 CG ASN A 105 10.509 25.754 29.940 1.00 27.35 C ATOM 1016 OD1 ASN A 105 10.557 26.888 29.498 1.00 26.15 O ATOM 1017 ND2 ASN A 105 10.636 25.490 31.235 1.00 29.61 N ATOM 1018 HD22 ASN A 105 10.589 24.507 31.572 1.00 0.00 H ATOM 1019 HD21 ASN A 105 10.782 26.266 31.912 1.00 0.00 H ATOM 1020 H ASN A 105 9.622 23.044 26.691 1.00 0.00 H ATOM 1021 N ARG A 106 9.474 26.910 26.690 1.00 28.51 N ATOM 1022 CA ARG A 106 9.989 27.899 25.751 1.00 28.82 C ATOM 1023 C ARG A 106 11.421 28.273 26.000 1.00 26.83 C ATOM 1024 O ARG A 106 12.106 28.683 25.058 1.00 27.73 O ATOM 1025 CB ARG A 106 9.136 29.181 25.777 1.00 31.67 C ATOM 1026 CG ARG A 106 7.892 29.087 24.924 1.00 34.02 C ATOM 1027 CD ARG A 106 7.198 30.435 24.828 1.00 36.94 C ATOM 1028 NE ARG A 106 6.616 30.841 26.110 1.00 39.59 N ATOM 1029 CZ ARG A 106 5.419 30.457 26.571 1.00 43.79 C ATOM 1030 NH1 ARG A 106 4.627 29.628 25.863 1.00 45.36 N ATOM 1031 NH2 ARG A 106 4.998 30.918 27.749 1.00 42.28 N ATOM 1032 HE ARG A 106 7.178 31.478 26.710 1.00 0.00 H ATOM 1033 HH12 ARG A 106 3.701 29.344 26.242 1.00 0.00 H ATOM 1034 HH11 ARG A 106 4.942 29.273 24.938 1.00 0.00 H ATOM 1035 HH22 ARG A 106 4.070 30.628 28.119 1.00 0.00 H ATOM 1036 HH21 ARG A 106 5.597 31.567 28.297 1.00 0.00 H ATOM 1037 H ARG A 106 8.652 27.160 27.275 1.00 0.00 H ATOM 1038 N LYS A 107 11.878 28.159 27.248 1.00 25.61 N ATOM 1039 CA LYS A 107 13.283 28.417 27.548 1.00 26.09 C ATOM 1040 C LYS A 107 14.287 27.512 26.803 1.00 26.29 C ATOM 1041 O LYS A 107 15.453 27.874 26.688 1.00 26.14 O ATOM 1042 CB LYS A 107 13.544 28.334 29.042 1.00 28.18 C ATOM 1043 CG LYS A 107 13.981 26.979 29.552 1.00 31.88 C ATOM 1044 CD LYS A 107 14.136 27.003 31.060 1.00 33.47 C ATOM 1045 CE LYS A 107 14.575 25.662 31.607 1.00 34.47 C ATOM 1046 NZ LYS A 107 14.656 25.658 33.095 1.00 34.26 N ATOM 1047 HZ1 LYS A 107 15.343 26.374 33.405 1.00 0.00 H ATOM 1048 HZ2 LYS A 107 13.721 25.878 33.492 1.00 0.00 H ATOM 1049 HZ3 LYS A 107 14.960 24.719 33.422 1.00 0.00 H ATOM 1050 H LYS A 107 11.229 27.884 28.013 1.00 0.00 H ATOM 1051 N TYR A 108 13.859 26.336 26.339 1.00 26.26 N ATOM 1052 CA TYR A 108 14.740 25.434 25.592 1.00 26.62 C ATOM 1053 C TYR A 108 14.707 25.661 24.086 1.00 26.78 C ATOM 1054 O TYR A 108 15.555 25.134 23.364 1.00 26.71 O ATOM 1055 CB TYR A 108 14.430 23.962 25.903 1.00 27.01 C ATOM 1056 CG TYR A 108 14.720 23.543 27.341 1.00 28.66 C ATOM 1057 CD1 TYR A 108 15.995 23.729 27.912 1.00 30.37 C ATOM 1058 CD2 TYR A 108 13.735 22.948 28.134 1.00 29.84 C ATOM 1059 CE1 TYR A 108 16.272 23.333 29.222 1.00 29.66 C ATOM 1060 CE2 TYR A 108 14.008 22.544 29.440 1.00 29.81 C ATOM 1061 CZ TYR A 108 15.275 22.740 29.969 1.00 29.00 C ATOM 1062 OH TYR A 108 15.525 22.361 31.239 1.00 29.93 O ATOM 1063 HH TYR A 108 16.467 22.567 31.464 1.00 0.00 H ATOM 1064 H TYR A 108 12.874 26.052 26.512 1.00 0.00 H ATOM 1065 N ALA A 109 13.763 26.445 23.583 1.00 29.27 N ATOM 1066 CA ALA A 109 13.818 26.789 22.171 1.00 31.10 C ATOM 1067 C ALA A 109 15.086 27.650 21.920 1.00 32.40 C ATOM 1068 O ALA A 109 15.449 28.485 22.746 1.00 30.55 O ATOM 1069 CB ALA A 109 12.556 27.492 21.742 1.00 32.91 C ATOM 1070 H ALA A 109 12.998 26.807 24.187 1.00 0.00 H ATOM 1071 N HIS A 110 15.807 27.353 20.839 1.00 32.77 N ATOM 1072 CA HIS A 110 17.043 28.062 20.494 1.00 33.47 C ATOM 1073 C HIS A 110 18.081 27.951 21.591 1.00 34.99 C ATOM 1074 O HIS A 110 18.713 28.941 21.989 1.00 34.92 O ATOM 1075 CB HIS A 110 16.734 29.532 20.161 1.00 35.62 C ATOM 1076 CG HIS A 110 15.584 29.681 19.226 1.00 35.48 C ATOM 1077 ND1 HIS A 110 15.655 29.297 17.903 1.00 36.65 N ATOM 1078 CD2 HIS A 110 14.311 30.078 19.439 1.00 36.23 C ATOM 1079 CE1 HIS A 110 14.482 29.488 17.330 1.00 38.32 C ATOM 1080 NE2 HIS A 110 13.653 29.974 18.240 1.00 40.75 N ATOM 1081 H HIS A 110 15.480 26.588 20.215 1.00 0.00 H ATOM 1082 N TYR A 111 18.257 26.731 22.075 1.00 33.57 N ATOM 1083 CA TYR A 111 19.088 26.491 23.218 1.00 33.26 C ATOM 1084 C TYR A 111 20.561 26.619 22.816 1.00 34.91 C ATOM 1085 O TYR A 111 20.967 26.024 21.819 1.00 34.54 O ATOM 1086 CB TYR A 111 18.815 25.090 23.738 1.00 33.25 C ATOM 1087 CG TYR A 111 19.248 24.839 25.152 1.00 32.30 C ATOM 1088 CD1 TYR A 111 18.746 25.602 26.210 1.00 31.85 C ATOM 1089 CD2 TYR A 111 20.124 23.805 25.447 1.00 33.86 C ATOM 1090 CE1 TYR A 111 19.136 25.353 27.517 1.00 32.48 C ATOM 1091 CE2 TYR A 111 20.514 23.548 26.754 1.00 33.63 C ATOM 1092 CZ TYR A 111 20.008 24.307 27.774 1.00 32.43 C ATOM 1093 OH TYR A 111 20.392 24.009 29.041 1.00 36.22 O ATOM 1094 HH TYR A 111 19.953 24.632 29.673 1.00 0.00 H ATOM 1095 H TYR A 111 17.781 25.929 21.615 1.00 0.00 H ATOM 1096 N PRO A 112 21.360 27.404 23.576 1.00 38.04 N ATOM 1097 CA PRO A 112 22.784 27.523 23.216 1.00 41.70 C ATOM 1098 C PRO A 112 23.519 26.194 23.393 1.00 40.36 C ATOM 1099 O PRO A 112 23.387 25.528 24.426 1.00 35.83 O ATOM 1100 CB PRO A 112 23.331 28.627 24.156 1.00 40.89 C ATOM 1101 CG PRO A 112 22.344 28.721 25.266 1.00 41.38 C ATOM 1102 CD PRO A 112 21.006 28.290 24.699 1.00 40.27 C ATOM 1103 N ASN A 113 24.280 25.832 22.368 1.00 42.97 N ATOM 1104 CA ASN A 113 24.876 24.518 22.285 1.00 48.18 C ATOM 1105 C ASN A 113 25.922 24.292 23.393 1.00 47.73 C ATOM 1106 O ASN A 113 26.147 23.155 23.797 1.00 51.07 O ATOM 1107 CB ASN A 113 25.450 24.276 20.881 1.00 53.95 C ATOM 1108 CG ASN A 113 24.987 22.953 20.279 1.00 59.19 C ATOM 1109 OD1 ASN A 113 23.803 22.764 19.953 1.00 57.35 O ATOM 1110 ND2 ASN A 113 25.930 22.032 20.116 1.00 63.30 N ATOM 1111 HD22 ASN A 113 26.909 22.234 20.403 1.00 0.00 H ATOM 1112 HD21 ASN A 113 25.689 21.109 19.701 1.00 0.00 H ATOM 1113 H ASN A 113 24.453 26.514 21.602 1.00 0.00 H ATOM 1114 N LYS A 114 26.508 25.359 23.925 1.00 44.34 N ATOM 1115 CA LYS A 114 27.402 25.229 25.080 1.00 47.08 C ATOM 1116 C LYS A 114 26.731 24.814 26.374 1.00 40.77 C ATOM 1117 O LYS A 114 27.424 24.381 27.293 1.00 41.88 O ATOM 1118 CB LYS A 114 28.199 26.520 25.340 1.00 54.00 C ATOM 1119 CG LYS A 114 27.431 27.708 25.923 1.00 59.26 C ATOM 1120 CD LYS A 114 28.424 28.784 26.383 1.00 66.14 C ATOM 1121 CE LYS A 114 28.043 30.196 25.950 1.00 69.00 C ATOM 1122 NZ LYS A 114 27.058 30.816 26.875 1.00 71.30 N ATOM 1123 HZ1 LYS A 114 26.194 30.238 26.897 1.00 0.00 H ATOM 1124 HZ2 LYS A 114 27.466 30.868 27.830 1.00 0.00 H ATOM 1125 HZ3 LYS A 114 26.828 31.774 26.543 1.00 0.00 H ATOM 1126 H LYS A 114 26.330 26.299 23.517 1.00 0.00 H ATOM 1127 N LEU A 115 25.413 24.963 26.476 1.00 35.72 N ATOM 1128 CA LEU A 115 24.709 24.476 27.663 1.00 34.87 C ATOM 1129 C LEU A 115 24.466 22.971 27.576 1.00 32.96 C ATOM 1130 O LEU A 115 23.992 22.363 28.539 1.00 30.33 O ATOM 1131 CB LEU A 115 23.401 25.233 27.917 1.00 36.54 C ATOM 1132 CG LEU A 115 23.502 26.627 28.567 1.00 40.06 C ATOM 1133 CD1 LEU A 115 22.156 27.341 28.591 1.00 40.21 C ATOM 1134 CD2 LEU A 115 24.052 26.542 29.996 1.00 39.25 C ATOM 1135 H LEU A 115 24.882 25.426 25.711 1.00 0.00 H ATOM 1136 N CYS A 116 24.773 22.363 26.429 1.00 29.91 N ATOM 1137 CA CYS A 116 24.661 20.911 26.316 1.00 29.90 C ATOM 1138 C CYS A 116 25.884 20.254 26.965 1.00 28.89 C ATOM 1139 O CYS A 116 27.016 20.440 26.505 1.00 31.07 O ATOM 1140 CB CYS A 116 24.463 20.485 24.862 1.00 28.23 C ATOM 1141 SG CYS A 116 22.906 21.144 24.184 1.00 30.08 S ATOM 1142 H CYS A 116 25.093 22.924 25.614 1.00 0.00 H ATOM 1143 N THR A 117 25.619 19.512 28.039 1.00 27.91 N ATOM 1144 CA THR A 117 26.635 18.877 28.875 1.00 31.26 C ATOM 1145 C THR A 117 26.207 17.421 29.175 1.00 32.68 C ATOM 1146 O THR A 117 25.040 17.059 28.947 1.00 33.10 O ATOM 1147 CB THR A 117 26.807 19.617 30.219 1.00 28.29 C ATOM 1148 OG1 THR A 117 25.568 19.593 30.946 1.00 27.91 O ATOM 1149 CG2 THR A 117 27.271 21.076 29.994 1.00 28.39 C ATOM 1150 HG1 THR A 117 25.306 18.654 31.119 1.00 0.00 H ATOM 1151 H THR A 117 24.622 19.375 28.300 1.00 0.00 H ATOM 1152 N GLY A 118 27.144 16.625 29.698 1.00 31.77 N ATOM 1153 CA GLY A 118 26.910 15.211 30.007 1.00 31.17 C ATOM 1154 C GLY A 118 27.359 14.257 28.904 1.00 31.14 C ATOM 1155 O GLY A 118 27.927 14.674 27.869 1.00 30.95 O ATOM 1156 H GLY A 118 28.083 17.027 29.895 1.00 0.00 H ATOM 1157 N PRO A 119 27.115 12.960 29.120 1.00 31.93 N ATOM 1158 CA PRO A 119 27.382 11.978 28.091 1.00 34.02 C ATOM 1159 C PRO A 119 26.293 12.023 27.015 1.00 34.14 C ATOM 1160 O PRO A 119 25.227 12.578 27.225 1.00 28.96 O ATOM 1161 CB PRO A 119 27.332 10.640 28.851 1.00 35.19 C ATOM 1162 CG PRO A 119 26.410 10.893 30.004 1.00 35.75 C ATOM 1163 CD PRO A 119 26.488 12.363 30.321 1.00 33.59 C ATOM 1164 N THR A 120 26.595 11.406 25.889 1.00 36.46 N ATOM 1165 CA THR A 120 25.676 11.276 24.782 1.00 34.59 C ATOM 1166 C THR A 120 25.100 9.888 24.916 1.00 32.36 C ATOM 1167 O THR A 120 25.827 8.934 24.721 1.00 33.44 O ATOM 1168 CB THR A 120 26.457 11.433 23.471 1.00 36.70 C ATOM 1169 OG1 THR A 120 26.971 12.770 23.414 1.00 38.77 O ATOM 1170 CG2 THR A 120 25.588 11.151 22.219 1.00 37.27 C ATOM 1171 HG1 THR A 120 27.479 12.891 22.573 1.00 0.00 H ATOM 1172 H THR A 120 27.544 10.992 25.793 1.00 0.00 H ATOM 1173 N PRO A 121 23.801 9.767 25.263 1.00 30.56 N ATOM 1174 CA PRO A 121 23.185 8.468 25.355 1.00 30.20 C ATOM 1175 C PRO A 121 23.163 7.728 24.010 1.00 33.88 C ATOM 1176 O PRO A 121 23.006 8.362 22.951 1.00 32.29 O ATOM 1177 CB PRO A 121 21.759 8.753 25.817 1.00 30.66 C ATOM 1178 CG PRO A 121 21.523 10.206 25.617 1.00 30.68 C ATOM 1179 CD PRO A 121 22.819 10.866 25.322 1.00 30.94 C ATOM 1180 N PRO A 122 23.318 6.395 24.050 1.00 30.77 N ATOM 1181 CA PRO A 122 23.376 5.650 22.820 1.00 30.71 C ATOM 1182 C PRO A 122 21.954 5.480 22.251 1.00 27.59 C ATOM 1183 O PRO A 122 20.970 5.630 22.976 1.00 28.07 O ATOM 1184 CB PRO A 122 23.898 4.282 23.308 1.00 31.33 C ATOM 1185 CG PRO A 122 23.150 4.091 24.606 1.00 31.05 C ATOM 1186 CD PRO A 122 22.964 5.504 25.178 1.00 32.20 C ATOM 1187 N CYS A 123 21.844 5.140 20.981 1.00 27.37 N ATOM 1188 CA CYS A 123 20.513 4.834 20.405 1.00 29.17 C ATOM 1189 C CYS A 123 19.932 3.573 21.025 1.00 31.44 C ATOM 1190 O CYS A 123 18.725 3.491 21.317 1.00 35.99 O ATOM 1191 CB CYS A 123 20.599 4.713 18.879 1.00 25.50 C ATOM 1192 SG CYS A 123 20.921 6.295 18.093 1.00 23.87 S ATOM 1193 OXT CYS A 123 20.690 2.637 21.265 1.00 35.77 O ATOM 1194 H CYS A 123 22.693 5.087 20.383 1.00 0.00 H TER 1195 CYS A 123 HETATM 1196 CA CA A 1 18.866 16.507 15.803 1.00 48.29 CA HETATM 1197 O HOH 2 5.669 8.492 19.472 1.00 20.43 O HETATM 1198 O HOH 3 4.433 23.308 28.242 1.00 24.08 O HETATM 1199 O HOH 4 21.960 13.129 17.081 1.00 31.80 O HETATM 1200 O HOH 5 17.374 0.695 0.737 1.00 35.24 O HETATM 1201 O HOH 6 25.858 17.716 32.593 1.00 32.43 O HETATM 1202 O HOH 7 5.579 5.549 13.364 1.00 37.55 O HETATM 1203 O HOH 8 9.972 29.009 30.748 1.00 36.89 O HETATM 1204 O HOH 9 6.049 15.547 29.127 1.00 20.43 O HETATM 1205 O HOH 10 10.943 20.611 29.971 1.00 23.81 O HETATM 1206 O HOH 11 11.536 0.382 14.683 1.00 21.55 O HETATM 1207 O HOH 12 16.512 6.653 -1.177 1.00 34.00 O HETATM 1208 O HOH 13 21.428 23.208 20.983 1.00 34.71 O HETATM 1209 O HOH 14 19.349 21.429 19.047 1.00 42.20 O HETATM 1210 O HOH 15 28.094 21.397 24.051 1.00 37.50 O HETATM 1211 O HOH 16 9.132 27.968 21.547 1.00 36.40 O HETATM 1212 O HOH 17 -5.526 9.286 3.702 1.00 16.46 O HETATM 1213 O HOH 18 11.030 14.625 6.634 1.00 21.71 O HETATM 1214 O HOH 19 6.268 18.854 22.937 1.00 17.13 O HETATM 1215 O HOH 20 13.056 6.719 -2.067 1.00 18.17 O HETATM 1216 O HOH 21 1.087 -1.149 2.074 1.00 33.75 O HETATM 1217 O HOH 22 21.854 5.851 2.772 1.00 42.78 O HETATM 1218 O HOH 23 13.560 30.433 22.904 1.00 31.12 O HETATM 1219 O HOH 24 19.029 0.046 9.885 1.00 19.72 O HETATM 1220 O HOH 25 3.978 2.164 -1.552 1.00 31.71 O HETATM 1221 O HOH 26 16.149 7.715 22.222 1.00 17.18 O HETATM 1222 O HOH 27 9.341 18.413 27.096 1.00 22.39 O HETATM 1223 O HOH 28 12.912 14.571 4.751 1.00 37.80 O HETATM 1224 O HOH 29 -0.685 16.213 25.175 1.00 31.96 O HETATM 1225 O HOH 30 -5.608 9.986 7.761 1.00 30.31 O HETATM 1226 O HOH 31 29.736 20.200 27.089 1.00 35.92 O HETATM 1227 O HOH 32 9.902 16.593 30.136 1.00 29.24 O HETATM 1228 O HOH 33 2.955 23.126 25.178 1.00 33.80 O HETATM 1229 O HOH 34 7.630 10.430 25.326 1.00 20.67 O HETATM 1230 O HOH 35 21.749 21.033 29.594 1.00 32.76 O HETATM 1231 O HOH 36 1.096 3.466 6.225 1.00 26.27 O HETATM 1232 O HOH 37 20.643 4.710 14.647 1.00 22.95 O HETATM 1233 O HOH 38 11.211 -2.179 -1.109 1.00 6.44 O HETATM 1234 O HOH 39 0.626 11.671 20.928 1.00 22.85 O HETATM 1235 O HOH 40 10.813 10.332 18.273 1.00 17.22 O HETATM 1236 O HOH 41 11.955 10.746 -1.824 1.00 24.07 O HETATM 1237 O HOH 42 29.161 10.127 25.790 1.00 32.08 O HETATM 1238 O HOH 43 25.956 -4.210 9.975 1.00 28.56 O HETATM 1239 O HOH 44 9.781 16.722 5.475 1.00 41.67 O HETATM 1240 O HOH 45 22.794 18.844 28.359 1.00 27.45 O HETATM 1241 O HOH 46 24.912 27.664 20.176 1.00 31.64 O HETATM 1242 O HOH 47 24.289 4.890 19.361 1.00 35.65 O HETATM 1243 O HOH 48 10.415 11.304 24.687 1.00 18.42 O HETATM 1244 O HOH 49 20.765 -1.791 7.985 1.00 25.91 O HETATM 1245 O HOH 50 19.985 17.166 30.652 1.00 29.39 O HETATM 1246 O HOH 51 -1.302 8.034 14.494 1.00 18.80 O HETATM 1247 O HOH 52 11.259 9.124 15.765 1.00 12.63 O HETATM 1248 O HOH 53 20.815 -2.662 5.529 1.00 27.61 O HETATM 1249 O HOH 54 14.807 5.483 17.981 1.00 23.38 O HETATM 1250 O HOH 55 0.588 3.784 2.262 1.00 24.11 O HETATM 1251 O HOH 56 0.547 4.804 8.378 1.00 23.50 O HETATM 1252 O HOH 57 20.510 19.611 17.435 1.00 33.35 O HETATM 1253 O HOH 58 0.885 14.618 1.867 1.00 19.37 O HETATM 1254 O HOH 59 1.757 4.445 -0.058 1.00 18.52 O HETATM 1255 O HOH 60 2.480 29.521 28.782 1.00 32.78 O HETATM 1256 O HOH 61 16.042 -0.932 10.654 1.00 18.00 O HETATM 1257 O HOH 62 5.250 22.387 32.678 1.00 46.91 O HETATM 1258 O HOH 63 4.638 27.566 23.448 1.00 24.71 O HETATM 1259 O HOH 64 11.432 26.761 33.969 1.00 33.73 O HETATM 1260 O HOH 65 6.881 27.626 28.274 1.00 18.81 O HETATM 1261 O HOH 66 22.313 25.452 19.056 1.00 46.83 O HETATM 1262 O HOH 67 19.027 2.911 16.472 1.00 24.99 O HETATM 1263 O HOH 68 19.787 11.493 4.467 1.00 24.29 O HETATM 1264 O HOH 69 10.660 0.770 -2.779 1.00 16.84 O HETATM 1265 O HOH 70 7.386 29.976 29.713 1.00 29.98 O HETATM 1266 O HOH 71 7.721 7.990 20.840 1.00 19.86 O HETATM 1267 O HOH 72 -4.445 15.590 5.872 1.00 28.66 O HETATM 1268 O HOH 73 30.051 18.111 28.889 1.00 30.64 O HETATM 1269 O HOH 74 1.299 8.808 21.355 1.00 22.22 O HETATM 1270 O HOH 75 13.521 14.235 30.785 1.00 16.00 O HETATM 1271 O HOH 76 21.641 2.608 12.702 1.00 30.00 O HETATM 1272 O HOH 77 -0.903 12.454 23.004 1.00 33.89 O HETATM 1273 O HOH 78 15.856 5.597 20.598 1.00 22.27 O HETATM 1274 O HOH 79 11.540 9.408 22.972 1.00 21.96 O HETATM 1275 O HOH 80 7.837 21.730 32.555 1.00 40.16 O HETATM 1276 O HOH 81 13.869 8.221 23.412 1.00 24.04 O HETATM 1277 O HOH 82 5.381 9.146 27.187 1.00 41.24 O HETATM 1278 O HOH 83 9.841 0.893 16.238 1.00 45.68 O HETATM 1279 O HOH 84 14.436 4.287 -2.342 1.00 25.31 O HETATM 1280 O HOH 85 4.104 5.410 15.503 1.00 33.47 O HETATM 1281 O HOH 86 4.315 6.201 18.449 1.00 26.40 O HETATM 1282 O HOH 87 22.387 6.749 14.736 1.00 37.09 O HETATM 1283 O HOH 88 20.504 0.231 12.109 1.00 29.26 O HETATM 1284 O HOH 89 10.132 8.706 20.226 1.00 19.87 O HETATM 1285 O HOH 90 16.470 5.726 24.485 1.00 35.09 O HETATM 1286 O HOH 91 11.376 18.950 31.904 1.00 27.94 O HETATM 1287 O HOH 92 11.178 6.245 19.499 1.00 28.45 O HETATM 1288 OAO UNN A 93 18.833 14.110 11.616 1.00 -0.57 O HETATM 1289 CAN UNN A 93 18.473 15.271 11.969 1.00 0.07 C HETATM 1290 OAP UNN A 93 19.178 16.071 12.646 1.00 -0.57 O HETATM 1291 CAM UNN A 93 17.055 15.716 11.536 1.00 0.12 C HETATM 1292 OAL UNN A 93 16.578 16.673 12.538 1.00 -0.31 O HETATM 1293 CAF UNN A 93 16.132 17.948 12.244 1.00 0.08 C HETATM 1294 CAA UNN A 93 16.833 18.695 11.279 1.00 -0.05 C HETATM 1295 CAB UNN A 93 16.410 19.975 10.976 1.00 -0.09 C HETATM 1296 CAC UNN A 93 15.316 20.476 11.676 1.00 -0.06 C HETATM 1297 CAD UNN A 93 14.655 19.751 12.608 1.00 0.06 C HETATM 1298 CAE UNN A 93 15.039 18.475 12.918 1.00 0.02 C HETATM 1299 CAI UNN A 93 14.170 18.073 13.905 1.00 0.04 C HETATM 1300 CAK UNN A 93 14.133 16.889 14.572 1.00 0.20 C HETATM 1301 OAS UNN A 93 13.122 16.192 14.680 1.00 -0.37 O HETATM 1302 CAQ UNN A 93 15.424 16.410 15.256 1.00 0.26 C HETATM 1303 OAT UNN A 93 16.448 17.080 15.243 1.00 -0.36 O HETATM 1304 NAR UNN A 93 15.377 15.213 15.801 1.00 -0.29 N HETATM 1305 H6 UNN A 93 16.183 14.841 16.262 1.00 0.18 H HETATM 1306 H7 UNN A 93 14.535 14.675 15.754 1.00 0.18 H HETATM 1307 CAH UNN A 93 13.308 19.059 14.130 1.00 0.07 C HETATM 1308 CAJ UNN A 93 12.168 18.984 15.156 1.00 0.00 C HETATM 1309 H8 UNN A 93 12.188 18.004 15.655 1.00 0.05 H HETATM 1310 H9 UNN A 93 11.204 19.115 14.643 1.00 0.05 H HETATM 1311 H10 UNN A 93 12.296 19.779 15.905 1.00 0.05 H HETATM 1312 NAG UNN A 93 13.586 20.105 13.339 1.00 -0.24 N HETATM 1313 CAU UNN A 93 12.890 21.488 13.209 1.00 0.10 C HETATM 1314 CAV UNN A 93 12.098 21.602 12.003 1.00 0.02 C HETATM 1315 CBA UNN A 93 11.341 20.467 11.656 1.00 -0.03 C HETATM 1316 CAZ UNN A 93 10.541 20.427 10.521 1.00 -0.04 C HETATM 1317 CAY UNN A 93 10.453 21.526 9.687 1.00 -0.04 C HETATM 1318 CAX UNN A 93 11.174 22.665 9.986 1.00 -0.04 C HETATM 1319 CAW UNN A 93 12.007 22.746 11.126 1.00 0.05 C HETATM 1320 CBB UNN A 93 12.700 23.984 11.311 1.00 0.37 C HETATM 1321 FBD UNN A 93 12.597 24.888 10.189 1.00 -0.23 F HETATM 1322 FBE UNN A 93 14.016 23.781 11.465 1.00 -0.23 F HETATM 1323 FBC UNN A 93 12.140 24.623 12.438 1.00 -0.23 F HETATM 1324 H16 UNN A 93 11.099 23.523 9.327 1.00 0.08 H HETATM 1325 H15 UNN A 93 9.823 21.494 8.805 1.00 0.06 H HETATM 1326 H14 UNN A 93 9.982 19.528 10.288 1.00 0.08 H HETATM 1327 H13 UNN A 93 11.384 19.594 12.297 1.00 0.06 H HETATM 1328 H11 UNN A 93 13.662 22.271 13.198 1.00 0.08 H HETATM 1329 H12 UNN A 93 12.231 21.634 14.078 1.00 0.08 H HETATM 1330 H5 UNN A 93 14.981 21.485 11.466 1.00 0.04 H HETATM 1331 H4 UNN A 93 16.912 20.568 10.220 1.00 0.05 H HETATM 1332 H3 UNN A 93 17.696 18.271 10.779 1.00 0.04 H HETATM 1333 H1 UNN A 93 16.383 14.846 11.495 1.00 0.08 H HETATM 1334 H2 UNN A 93 17.096 16.195 10.546 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 238 237 1141 CONECT 243 242 1196 CONECT 259 258 402 CONECT 264 263 1196 CONECT 278 277 1196 CONECT 395 394 914 CONECT 402 259 401 CONECT 438 437 1196 CONECT 446 445 1192 CONECT 453 452 847 CONECT 542 541 776 CONECT 723 722 830 CONECT 776 542 775 CONECT 830 723 829 CONECT 847 453 846 CONECT 914 395 913 CONECT 1141 238 1140 CONECT 1192 446 1191 CONECT 1196 243 264 278 438 CONECT 1288 1289 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 1292 1333 1334 CONECT 1292 1291 1293 CONECT 1293 1292 1294 1298 CONECT 1294 1293 1295 1332 CONECT 1295 1294 1296 1331 CONECT 1296 1295 1297 1330 CONECT 1297 1296 1298 1312 CONECT 1298 1293 1297 1299 CONECT 1299 1298 1300 1307 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1304 CONECT 1303 1302 CONECT 1304 1302 1305 1306 CONECT 1305 1304 CONECT 1306 1304 CONECT 1307 1299 1308 1312 CONECT 1308 1307 1309 1310 1311 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1308 CONECT 1312 1297 1307 1313 CONECT 1313 1312 1314 1328 1329 CONECT 1314 1313 1315 1319 CONECT 1315 1314 1316 1327 CONECT 1316 1315 1317 1326 CONECT 1317 1316 1318 1325 CONECT 1318 1317 1319 1324 CONECT 1319 1314 1318 1320 CONECT 1320 1319 1321 1322 1323 CONECT 1321 1320 CONECT 1322 1320 CONECT 1323 1320 CONECT 1324 1318 CONECT 1325 1317 CONECT 1326 1316 CONECT 1327 1315 CONECT 1328 1313 CONECT 1329 1313 CONECT 1330 1296 CONECT 1331 1295 CONECT 1332 1294 CONECT 1333 1291 CONECT 1334 1291 MASTER 0 0 0 0 0 0 0 0 1333 1 70 10 END
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Structure:
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Related entries of code: 5wzu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5wzs
RCSB PDB
PDBbind
123aa, >5WZS_1|Chain... *
5wzt
RCSB PDB
PDBbind
123aa, >5WZT_1|Chain... at 100%
5wzv
RCSB PDB
PDBbind
123aa, >5WZV_1|Chain... at 100%
5wzw
RCSB PDB
PDBbind
123aa, >5WZW_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5wzu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Group IIE secretory phospholipase A2
Ligand Name
7W3
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
IC50=0.10uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 10815-10815
Ligand Properties
Formula
C
2
1
H
1
7
F
3
N
2
O
5
Molecular Weight
434.365
Exact Mass
434.109
No. of atoms
48
No. of bonds
50
Polar Surface Area
111.62
LOGP Value
4.09 (
Computed with XLOGP3
)
3.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
OC(=O)COc1cccc2c1c(C(=O)C(=O)N)c(n2Cc1ccccc1C(F)(F)F)C
InChI String
InChI=1S/C21H17F3N2O5/c1-11-17(19(29)20(25)30)18-14(7-4-8-15(18)31-10-16(27)28)26(11)9-12-5-2-3-6-13(12)21(22,23)24/h2-8H,9-10H2,1H3,(H2,25,30)(H,27,28)
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):
Q9NZK7
Entrez Gene ID
NCBI Entrez Gene ID:
30814
ASD
Information of known allosteric effects of PDB entries
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