Browse entries in the PDBbind-CN Database
HEADER 4ODK_COMPLEX COMPND 4ODK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 MET LYS VAL GLY GLN ASP LYS VAL VAL THR ILE ARG TYR SEQRES 2 A 95 THR LEU GLN VAL GLU GLY GLU VAL LEU ASP GLN GLY GLU SEQRES 3 A 95 LEU SER TYR LEU HIS GLY HIS ARG ASN LEU ILE PRO GLY SEQRES 4 A 95 LEU GLU GLU ALA LEU GLU GLY ARG GLU GLU GLY GLU ALA SEQRES 5 A 95 PHE GLN ALA HIS VAL PRO ALA GLU LYS ALA TYR GLY PRO SEQRES 6 A 95 HIS ASP PRO GLU GLY VAL GLN VAL VAL PRO LEU SER ALA SEQRES 7 A 95 PHE PRO GLU ASP ALA GLU VAL VAL PRO GLY ALA GLN PHE SEQRES 8 A 95 TYR ALA GLN ASP SEQRES 1 A 58 ASN PRO MET PRO LEU THR VAL VAL ALA VAL GLU GLY GLU SEQRES 2 A 58 GLU VAL THR VAL ASP PHE ASN HIS PRO LEU ALA GLY LYS SEQRES 3 A 58 ASP LEU ASP PHE GLN VAL GLU VAL VAL LYS VAL ARG GLU SEQRES 4 A 58 ALA THR PRO GLU GLU LEU LEU HIS GLY HIS ALA HIS PRO SEQRES 5 A 58 SER GLY HIS HIS HIS HIS HET HIS A 349 136 ATOM 1 N MET A 1 37.340 -3.478 1.359 1.00 50.76 N ATOM 2 CA MET A 1 36.818 -2.121 1.427 1.00 47.20 C ATOM 3 C MET A 1 35.935 -1.994 2.663 1.00 43.29 C ATOM 4 O MET A 1 35.121 -2.873 2.936 1.00 47.51 O ATOM 5 CB MET A 1 36.022 -1.801 0.158 1.00 49.65 C ATOM 6 CG MET A 1 35.665 -0.334 -0.018 1.00 51.35 C ATOM 7 SD MET A 1 35.004 0.038 -1.663 1.00 57.26 S ATOM 8 CE MET A 1 36.485 -0.092 -2.662 1.00 57.58 C ATOM 9 HN3 MET A 1 36.549 -4.150 1.297 1.00 0.00 H ATOM 10 HN2 MET A 1 37.899 -3.676 2.213 1.00 0.00 H ATOM 11 HN1 MET A 1 37.944 -3.574 0.518 1.00 0.00 H ATOM 12 N LYS A 2 36.111 -0.914 3.419 1.00 40.09 N ATOM 13 CA LYS A 2 35.350 -0.720 4.653 1.00 32.73 C ATOM 14 C LYS A 2 34.096 0.110 4.429 1.00 29.02 C ATOM 15 O LYS A 2 34.067 0.984 3.564 1.00 29.62 O ATOM 16 CB LYS A 2 36.217 -0.065 5.734 1.00 37.23 C ATOM 17 CG LYS A 2 37.341 -0.946 6.245 1.00 40.91 C ATOM 18 CD LYS A 2 38.069 -0.306 7.409 1.00 46.68 C ATOM 19 CE LYS A 2 39.234 -1.174 7.859 1.00 51.06 C ATOM 20 NZ LYS A 2 40.056 -0.509 8.904 1.00 54.85 N ATOM 21 HZ1 LYS A 2 40.441 0.380 8.527 1.00 0.00 H ATOM 22 HZ2 LYS A 2 39.462 -0.307 9.734 1.00 0.00 H ATOM 23 HZ3 LYS A 2 40.838 -1.137 9.180 1.00 0.00 H ATOM 24 H LYS A 2 36.803 -0.194 3.127 1.00 0.00 H ATOM 25 N VAL A 3 33.067 -0.169 5.224 1.00 26.52 N ATOM 26 CA VAL A 3 31.829 0.596 5.187 1.00 24.54 C ATOM 27 C VAL A 3 32.121 2.036 5.579 1.00 24.08 C ATOM 28 O VAL A 3 32.778 2.296 6.587 1.00 27.39 O ATOM 29 CB VAL A 3 30.797 0.029 6.181 1.00 23.30 C ATOM 30 CG1 VAL A 3 29.576 0.937 6.295 1.00 23.54 C ATOM 31 CG2 VAL A 3 30.400 -1.388 5.804 1.00 24.54 C ATOM 32 H VAL A 3 33.149 -0.960 5.894 1.00 0.00 H ATOM 33 N GLY A 4 31.628 2.971 4.777 1.00 24.19 N ATOM 34 CA GLY A 4 31.768 4.377 5.080 1.00 25.75 C ATOM 35 C GLY A 4 30.911 5.212 4.161 1.00 27.04 C ATOM 36 O GLY A 4 30.187 4.680 3.322 1.00 24.56 O ATOM 37 H GLY A 4 31.129 2.685 3.910 1.00 0.00 H ATOM 38 N GLN A 5 31.004 6.526 4.323 1.00 29.98 N ATOM 39 CA GLN A 5 30.228 7.481 3.543 1.00 29.24 C ATOM 40 C GLN A 5 30.298 7.214 2.041 1.00 28.54 C ATOM 41 O GLN A 5 31.384 7.023 1.490 1.00 30.21 O ATOM 42 CB GLN A 5 30.748 8.890 3.825 1.00 33.17 C ATOM 43 CG GLN A 5 29.982 9.981 3.107 1.00 34.79 C ATOM 44 CD GLN A 5 28.611 10.183 3.699 1.00 39.93 C ATOM 45 OE1 GLN A 5 28.448 10.178 4.918 1.00 46.64 O ATOM 46 NE2 GLN A 5 27.612 10.351 2.843 1.00 39.85 N ATOM 47 HE22 GLN A 5 27.798 10.348 1.820 1.00 0.00 H ATOM 48 HE21 GLN A 5 26.643 10.486 3.195 1.00 0.00 H ATOM 49 H GLN A 5 31.662 6.891 5.041 1.00 0.00 H ATOM 50 N ASP A 6 29.130 7.203 1.399 1.00 26.41 N ATOM 51 CA ASP A 6 28.994 7.037 -0.055 1.00 26.29 C ATOM 52 C ASP A 6 29.377 5.667 -0.604 1.00 26.92 C ATOM 53 O ASP A 6 29.540 5.509 -1.811 1.00 30.10 O ATOM 54 CB ASP A 6 29.746 8.130 -0.818 1.00 29.64 C ATOM 55 CG ASP A 6 29.110 9.491 -0.659 1.00 30.54 C ATOM 56 OD1 ASP A 6 27.986 9.565 -0.118 1.00 36.02 O ATOM 57 OD2 ASP A 6 29.731 10.487 -1.086 1.00 38.86 O ATOM 58 H ASP A 6 28.263 7.319 1.961 1.00 0.00 H ATOM 59 N LYS A 7 29.522 4.679 0.270 1.00 24.71 N ATOM 60 CA LYS A 7 29.673 3.308 -0.185 1.00 23.07 C ATOM 61 C LYS A 7 28.298 2.680 -0.310 1.00 21.09 C ATOM 62 O LYS A 7 27.388 2.994 0.460 1.00 21.69 O ATOM 63 CB LYS A 7 30.497 2.483 0.804 1.00 26.22 C ATOM 64 CG LYS A 7 31.927 2.958 1.016 1.00 30.59 C ATOM 65 CD LYS A 7 32.758 2.788 -0.250 1.00 33.25 C ATOM 66 CE LYS A 7 34.241 2.970 0.035 1.00 38.26 C ATOM 67 NZ LYS A 7 34.561 4.341 0.510 1.00 40.76 N ATOM 68 HZ1 LYS A 7 34.285 5.032 -0.217 1.00 0.00 H ATOM 69 HZ2 LYS A 7 34.038 4.533 1.388 1.00 0.00 H ATOM 70 HZ3 LYS A 7 35.583 4.414 0.690 1.00 0.00 H ATOM 71 H LYS A 7 29.528 4.888 1.289 1.00 0.00 H ATOM 72 N VAL A 8 28.143 1.791 -1.281 1.00 21.72 N ATOM 73 CA VAL A 8 26.970 0.939 -1.314 1.00 19.84 C ATOM 74 C VAL A 8 27.356 -0.388 -0.671 1.00 20.42 C ATOM 75 O VAL A 8 28.301 -1.060 -1.095 1.00 21.80 O ATOM 76 CB VAL A 8 26.429 0.741 -2.740 1.00 20.14 C ATOM 77 CG1 VAL A 8 25.387 -0.370 -2.753 1.00 22.48 C ATOM 78 CG2 VAL A 8 25.842 2.040 -3.269 1.00 22.89 C ATOM 79 H VAL A 8 28.866 1.704 -2.023 1.00 0.00 H ATOM 80 N VAL A 9 26.621 -0.745 0.369 1.00 19.12 N ATOM 81 CA VAL A 9 26.967 -1.857 1.238 1.00 19.39 C ATOM 82 C VAL A 9 25.886 -2.923 1.162 1.00 18.80 C ATOM 83 O VAL A 9 24.700 -2.619 1.298 1.00 19.62 O ATOM 84 CB VAL A 9 27.083 -1.361 2.693 1.00 18.69 C ATOM 85 CG1 VAL A 9 27.437 -2.501 3.628 1.00 21.58 C ATOM 86 CG2 VAL A 9 28.121 -0.243 2.795 1.00 22.22 C ATOM 87 H VAL A 9 25.756 -0.205 0.574 1.00 0.00 H ATOM 88 N THR A 10 26.285 -4.166 0.933 1.00 19.64 N ATOM 89 CA THR A 10 25.346 -5.278 0.925 1.00 20.33 C ATOM 90 C THR A 10 25.476 -6.022 2.246 1.00 18.69 C ATOM 91 O THR A 10 26.586 -6.377 2.656 1.00 20.38 O ATOM 92 CB THR A 10 25.633 -6.248 -0.236 1.00 22.25 C ATOM 93 OG1 THR A 10 25.562 -5.538 -1.480 1.00 26.32 O ATOM 94 CG2 THR A 10 24.624 -7.390 -0.246 1.00 25.93 C ATOM 95 HG1 THR A 10 24.657 -5.152 -1.587 1.00 0.00 H ATOM 96 H THR A 10 27.293 -4.351 0.755 1.00 0.00 H ATOM 97 N ILE A 11 24.352 -6.231 2.927 1.00 18.05 N ATOM 98 CA ILE A 11 24.342 -6.940 4.205 1.00 18.01 C ATOM 99 C ILE A 11 23.297 -8.036 4.196 1.00 18.19 C ATOM 100 O ILE A 11 22.299 -7.944 3.470 1.00 21.03 O ATOM 101 CB ILE A 11 24.052 -5.996 5.399 1.00 18.72 C ATOM 102 CG1 ILE A 11 22.662 -5.355 5.280 1.00 21.36 C ATOM 103 CG2 ILE A 11 25.128 -4.932 5.530 1.00 21.25 C ATOM 104 CD1 ILE A 11 22.263 -4.512 6.483 1.00 24.22 C ATOM 105 H ILE A 11 23.454 -5.879 2.538 1.00 0.00 H ATOM 106 N ARG A 12 23.551 -9.102 4.947 1.00 19.57 N ATOM 107 CA ARG A 12 22.482 -10.004 5.368 1.00 19.29 C ATOM 108 C ARG A 12 22.208 -9.716 6.825 1.00 18.61 C ATOM 109 O ARG A 12 23.118 -9.337 7.563 1.00 18.68 O ATOM 110 CB ARG A 12 22.856 -11.475 5.168 1.00 20.35 C ATOM 111 CG ARG A 12 22.974 -11.893 3.696 1.00 21.76 C ATOM 112 CD ARG A 12 23.366 -13.372 3.551 1.00 21.81 C ATOM 113 NE ARG A 12 24.736 -13.612 3.998 1.00 22.50 N ATOM 114 CZ ARG A 12 25.790 -13.708 3.194 1.00 22.17 C ATOM 115 NH1 ARG A 12 25.642 -13.609 1.876 1.00 25.99 N ATOM 116 NH2 ARG A 12 26.994 -13.919 3.709 1.00 24.59 N ATOM 117 HE ARG A 12 24.898 -13.715 5.020 1.00 0.00 H ATOM 118 HH12 ARG A 12 26.471 -13.685 1.252 1.00 0.00 H ATOM 119 HH11 ARG A 12 24.697 -13.456 1.469 1.00 0.00 H ATOM 120 HH22 ARG A 12 27.821 -13.995 3.083 1.00 0.00 H ATOM 121 HH21 ARG A 12 27.111 -14.009 4.739 1.00 0.00 H ATOM 122 H ARG A 12 24.529 -9.298 5.241 1.00 0.00 H ATOM 123 N TYR A 13 20.968 -9.875 7.261 1.00 19.90 N ATOM 124 CA TYR A 13 20.652 -9.551 8.639 1.00 18.93 C ATOM 125 C TYR A 13 19.447 -10.301 9.147 1.00 19.47 C ATOM 126 O TYR A 13 18.600 -10.769 8.373 1.00 21.82 O ATOM 127 CB TYR A 13 20.404 -8.047 8.788 1.00 21.37 C ATOM 128 CG TYR A 13 19.131 -7.598 8.116 1.00 22.38 C ATOM 129 CD1 TYR A 13 19.107 -7.339 6.755 1.00 28.21 C ATOM 130 CD2 TYR A 13 17.947 -7.456 8.835 1.00 26.70 C ATOM 131 CE1 TYR A 13 17.950 -6.947 6.121 1.00 30.75 C ATOM 132 CE2 TYR A 13 16.778 -7.062 8.207 1.00 31.30 C ATOM 133 CZ TYR A 13 16.788 -6.807 6.848 1.00 33.40 C ATOM 134 OH TYR A 13 15.638 -6.411 6.207 1.00 38.06 O ATOM 135 HH TYR A 13 14.946 -7.111 6.311 1.00 0.00 H ATOM 136 H TYR A 13 20.228 -10.229 6.622 1.00 0.00 H ATOM 137 N THR A 14 19.377 -10.399 10.465 1.00 19.85 N ATOM 138 CA THR A 14 18.177 -10.864 11.138 1.00 22.00 C ATOM 139 C THR A 14 17.823 -9.787 12.155 1.00 22.39 C ATOM 140 O THR A 14 18.692 -9.287 12.872 1.00 26.24 O ATOM 141 CB THR A 14 18.383 -12.223 11.860 1.00 22.04 C ATOM 142 OG1 THR A 14 18.939 -13.189 10.955 1.00 23.51 O ATOM 143 CG2 THR A 14 17.063 -12.754 12.398 1.00 24.93 C ATOM 144 HG1 THR A 14 19.065 -14.049 11.429 1.00 0.00 H ATOM 145 H THR A 14 20.206 -10.135 11.035 1.00 0.00 H ATOM 146 N LEU A 15 16.552 -9.418 12.202 1.00 23.16 N ATOM 147 CA LEU A 15 16.077 -8.428 13.159 1.00 23.82 C ATOM 148 C LEU A 15 15.148 -9.114 14.133 1.00 26.56 C ATOM 149 O LEU A 15 14.138 -9.700 13.729 1.00 29.69 O ATOM 150 CB LEU A 15 15.320 -7.305 12.451 1.00 25.52 C ATOM 151 CG LEU A 15 14.538 -6.367 13.375 1.00 32.18 C ATOM 152 CD1 LEU A 15 15.439 -5.741 14.435 1.00 30.67 C ATOM 153 CD2 LEU A 15 13.826 -5.295 12.563 1.00 36.23 C ATOM 154 H LEU A 15 15.875 -9.846 11.538 1.00 0.00 H ATOM 155 N GLN A 16 15.494 -9.044 15.414 1.00 26.88 N ATOM 156 CA GLN A 16 14.644 -9.569 16.468 1.00 27.89 C ATOM 157 C GLN A 16 14.211 -8.461 17.409 1.00 27.36 C ATOM 158 O GLN A 16 14.962 -7.520 17.674 1.00 28.71 O ATOM 159 CB GLN A 16 15.369 -10.653 17.271 1.00 32.49 C ATOM 160 CG GLN A 16 15.653 -11.931 16.505 1.00 37.02 C ATOM 161 CD GLN A 16 16.263 -13.009 17.388 1.00 44.93 C ATOM 162 OE1 GLN A 16 16.002 -13.063 18.592 1.00 49.32 O ATOM 163 NE2 GLN A 16 17.084 -13.866 16.795 1.00 51.29 N ATOM 164 HE22 GLN A 16 17.275 -13.783 15.776 1.00 0.00 H ATOM 165 HE21 GLN A 16 17.536 -14.621 17.349 1.00 0.00 H ATOM 166 H GLN A 16 16.399 -8.601 15.669 1.00 0.00 H ATOM 167 N VAL A 17 12.984 -8.572 17.895 1.00 31.47 N ATOM 168 CA VAL A 17 12.516 -7.723 18.975 1.00 33.64 C ATOM 169 C VAL A 17 11.996 -8.636 20.069 1.00 40.13 C ATOM 170 O VAL A 17 11.071 -9.417 19.842 1.00 40.82 O ATOM 171 CB VAL A 17 11.415 -6.759 18.515 1.00 35.67 C ATOM 172 CG1 VAL A 17 10.826 -6.019 19.707 1.00 38.44 C ATOM 173 CG2 VAL A 17 11.972 -5.778 17.495 1.00 37.61 C ATOM 174 H VAL A 17 12.341 -9.284 17.493 1.00 0.00 H ATOM 175 N GLU A 18 12.616 -8.541 21.244 1.00 44.85 N ATOM 176 CA GLU A 18 12.298 -9.395 22.387 1.00 50.33 C ATOM 177 C GLU A 18 12.214 -10.877 22.026 1.00 51.27 C ATOM 178 O GLU A 18 11.233 -11.548 22.340 1.00 53.88 O ATOM 179 CB GLU A 18 11.024 -8.918 23.088 1.00 54.47 C ATOM 180 CG GLU A 18 11.207 -7.602 23.831 1.00 61.74 C ATOM 181 CD GLU A 18 9.968 -7.177 24.595 1.00 68.39 C ATOM 182 OE1 GLU A 18 8.885 -7.746 24.339 1.00 71.52 O ATOM 183 OE2 GLU A 18 10.081 -6.274 25.453 1.00 69.64 O ATOM 184 H GLU A 18 13.362 -7.825 21.354 1.00 0.00 H ATOM 185 N GLY A 19 13.250 -11.370 21.350 1.00 50.30 N ATOM 186 CA GLY A 19 13.375 -12.784 21.044 1.00 49.74 C ATOM 187 C GLY A 19 12.528 -13.283 19.889 1.00 49.13 C ATOM 188 O GLY A 19 12.393 -14.491 19.694 1.00 53.93 O ATOM 189 H GLY A 19 13.996 -10.720 21.030 1.00 0.00 H ATOM 190 N GLU A 20 11.960 -12.363 19.118 1.00 46.04 N ATOM 191 CA GLU A 20 11.104 -12.728 17.992 1.00 43.16 C ATOM 192 C GLU A 20 11.624 -12.136 16.682 1.00 37.57 C ATOM 193 O GLU A 20 11.877 -10.938 16.604 1.00 37.46 O ATOM 194 CB GLU A 20 9.674 -12.253 18.261 1.00 50.60 C ATOM 195 CG GLU A 20 8.708 -12.432 17.103 1.00 57.18 C ATOM 196 CD GLU A 20 7.279 -12.089 17.491 1.00 65.18 C ATOM 197 OE1 GLU A 20 6.923 -12.276 18.675 1.00 68.15 O ATOM 198 OE2 GLU A 20 6.513 -11.626 16.617 1.00 67.19 O ATOM 199 H GLU A 20 12.129 -11.357 19.321 1.00 0.00 H ATOM 200 N VAL A 21 11.787 -12.973 15.658 1.00 36.92 N ATOM 201 CA VAL A 21 12.252 -12.501 14.353 1.00 36.37 C ATOM 202 C VAL A 21 11.144 -11.757 13.609 1.00 35.02 C ATOM 203 O VAL A 21 10.075 -12.317 13.345 1.00 39.91 O ATOM 204 CB VAL A 21 12.781 -13.658 13.480 1.00 37.37 C ATOM 205 CG1 VAL A 21 13.212 -13.144 12.111 1.00 38.46 C ATOM 206 CG2 VAL A 21 13.938 -14.358 14.180 1.00 39.52 C ATOM 207 H VAL A 21 11.579 -13.984 15.789 1.00 0.00 H ATOM 208 N LEU A 22 11.401 -10.491 13.286 1.00 35.44 N ATOM 209 CA LEU A 22 10.411 -9.648 12.622 1.00 38.41 C ATOM 210 C LEU A 22 10.759 -9.414 11.160 1.00 39.31 C ATOM 211 O LEU A 22 9.879 -9.213 10.326 1.00 44.07 O ATOM 212 CB LEU A 22 10.281 -8.301 13.336 1.00 40.90 C ATOM 213 CG LEU A 22 9.252 -8.171 14.460 1.00 44.13 C ATOM 214 CD1 LEU A 22 9.578 -9.082 15.627 1.00 44.90 C ATOM 215 CD2 LEU A 22 9.171 -6.731 14.923 1.00 45.36 C ATOM 216 H LEU A 22 12.334 -10.091 13.513 1.00 0.00 H ATOM 217 N ASP A 23 12.046 -9.429 10.857 1.00 36.55 N ATOM 218 CA ASP A 23 12.491 -9.181 9.506 1.00 37.13 C ATOM 219 C ASP A 23 13.818 -9.880 9.332 1.00 32.65 C ATOM 220 O ASP A 23 14.584 -10.029 10.282 1.00 33.73 O ATOM 221 CB ASP A 23 12.638 -7.674 9.270 1.00 41.58 C ATOM 222 CG ASP A 23 12.957 -7.333 7.825 1.00 45.83 C ATOM 223 OD1 ASP A 23 12.514 -8.073 6.920 1.00 50.42 O ATOM 224 OD2 ASP A 23 13.650 -6.317 7.594 1.00 44.27 O ATOM 225 H ASP A 23 12.747 -9.622 11.601 1.00 0.00 H ATOM 226 N GLN A 24 14.081 -10.330 8.118 1.00 31.46 N ATOM 227 CA GLN A 24 15.358 -10.944 7.819 1.00 29.50 C ATOM 228 C GLN A 24 15.559 -10.960 6.329 1.00 34.91 C ATOM 229 O GLN A 24 14.600 -10.911 5.561 1.00 36.34 O ATOM 230 CB GLN A 24 15.391 -12.373 8.345 1.00 30.06 C ATOM 231 CG GLN A 24 14.336 -13.264 7.728 1.00 27.68 C ATOM 232 CD GLN A 24 14.134 -14.537 8.506 1.00 35.21 C ATOM 233 OE1 GLN A 24 15.092 -15.128 9.002 1.00 40.25 O ATOM 234 NE2 GLN A 24 12.882 -14.961 8.636 1.00 37.40 N ATOM 235 HE22 GLN A 24 12.104 -14.427 8.198 1.00 0.00 H ATOM 236 HE21 GLN A 24 12.680 -15.827 9.176 1.00 0.00 H ATOM 237 H GLN A 24 13.364 -10.242 7.370 1.00 0.00 H ATOM 238 N GLY A 25 16.812 -11.042 5.922 1.00 33.97 N ATOM 239 CA GLY A 25 17.135 -11.195 4.523 1.00 35.47 C ATOM 240 C GLY A 25 18.379 -10.419 4.172 1.00 29.32 C ATOM 241 O GLY A 25 19.273 -10.247 4.986 1.00 28.43 O ATOM 242 H GLY A 25 17.580 -10.996 6.621 1.00 0.00 H ATOM 243 N GLU A 26 18.406 -9.923 2.949 1.00 26.32 N ATOM 244 CA GLU A 26 19.584 -9.321 2.383 1.00 23.64 C ATOM 245 C GLU A 26 19.157 -8.028 1.728 1.00 22.38 C ATOM 246 O GLU A 26 18.103 -7.963 1.083 1.00 27.01 O ATOM 247 CB GLU A 26 20.166 -10.277 1.347 1.00 26.80 C ATOM 248 CG GLU A 26 21.545 -9.937 0.843 1.00 31.30 C ATOM 249 CD GLU A 26 22.262 -11.158 0.302 1.00 43.16 C ATOM 250 OE1 GLU A 26 21.635 -12.241 0.249 1.00 47.36 O ATOM 251 OE2 GLU A 26 23.449 -11.039 -0.060 1.00 51.02 O ATOM 252 H GLU A 26 17.542 -9.969 2.372 1.00 0.00 H ATOM 253 N LEU A 27 19.967 -6.992 1.894 1.00 21.10 N ATOM 254 CA LEU A 27 19.720 -5.734 1.206 1.00 22.04 C ATOM 255 C LEU A 27 21.023 -5.027 0.888 1.00 21.21 C ATOM 256 O LEU A 27 22.062 -5.335 1.458 1.00 21.16 O ATOM 257 CB LEU A 27 18.794 -4.822 2.023 1.00 25.74 C ATOM 258 CG LEU A 27 19.235 -4.327 3.406 1.00 26.00 C ATOM 259 CD1 LEU A 27 20.232 -3.167 3.351 1.00 27.69 C ATOM 260 CD2 LEU A 27 18.022 -3.899 4.215 1.00 33.35 C ATOM 261 H LEU A 27 20.790 -7.079 2.524 1.00 0.00 H ATOM 262 N SER A 28 20.962 -4.080 -0.033 1.00 21.71 N ATOM 263 CA SER A 28 22.058 -3.164 -0.276 1.00 21.83 C ATOM 264 C SER A 28 21.576 -1.755 0.033 1.00 24.91 C ATOM 265 O SER A 28 20.423 -1.428 -0.165 1.00 30.70 O ATOM 266 CB SER A 28 22.562 -3.290 -1.712 1.00 25.24 C ATOM 267 OG SER A 28 22.992 -4.619 -1.973 1.00 27.13 O ATOM 268 HG SER A 28 22.234 -5.242 -1.842 1.00 0.00 H ATOM 269 H SER A 28 20.097 -3.990 -0.603 1.00 0.00 H ATOM 270 N TYR A 29 22.441 -0.909 0.548 1.00 18.81 N ATOM 271 CA TYR A 29 22.019 0.447 0.855 1.00 18.31 C ATOM 272 C TYR A 29 23.188 1.378 0.643 1.00 18.06 C ATOM 273 O TYR A 29 24.352 0.964 0.697 1.00 19.47 O ATOM 274 CB TYR A 29 21.468 0.549 2.298 1.00 19.09 C ATOM 275 CG TYR A 29 22.574 0.535 3.322 1.00 16.85 C ATOM 276 CD1 TYR A 29 23.207 -0.655 3.678 1.00 19.56 C ATOM 277 CD2 TYR A 29 23.034 1.713 3.885 1.00 19.53 C ATOM 278 CE1 TYR A 29 24.267 -0.668 4.575 1.00 19.99 C ATOM 279 CE2 TYR A 29 24.081 1.709 4.796 1.00 21.24 C ATOM 280 CZ TYR A 29 24.695 0.516 5.123 1.00 19.36 C ATOM 281 OH TYR A 29 25.756 0.493 5.986 1.00 22.44 O ATOM 282 HH TYR A 29 26.492 1.042 5.617 1.00 0.00 H ATOM 283 H TYR A 29 23.420 -1.208 0.734 1.00 0.00 H ATOM 284 N LEU A 30 22.874 2.639 0.408 1.00 18.77 N ATOM 285 CA LEU A 30 23.873 3.683 0.271 1.00 18.51 C ATOM 286 C LEU A 30 24.124 4.275 1.647 1.00 18.95 C ATOM 287 O LEU A 30 23.225 4.862 2.249 1.00 20.72 O ATOM 288 CB LEU A 30 23.367 4.758 -0.695 1.00 20.30 C ATOM 289 CG LEU A 30 24.242 6.000 -0.851 1.00 20.18 C ATOM 290 CD1 LEU A 30 25.569 5.614 -1.487 1.00 23.08 C ATOM 291 CD2 LEU A 30 23.517 7.065 -1.672 1.00 23.34 C ATOM 292 H LEU A 30 21.870 2.894 0.317 1.00 0.00 H ATOM 293 N HIS A 31 25.353 4.121 2.135 1.00 19.45 N ATOM 294 CA HIS A 31 25.715 4.518 3.491 1.00 21.08 C ATOM 295 C HIS A 31 25.964 6.022 3.570 1.00 22.33 C ATOM 296 O HIS A 31 26.523 6.618 2.646 1.00 26.88 O ATOM 297 CB HIS A 31 26.973 3.756 3.908 1.00 22.31 C ATOM 298 CG HIS A 31 27.329 3.891 5.355 1.00 21.81 C ATOM 299 ND1 HIS A 31 26.892 3.002 6.313 1.00 23.16 N ATOM 300 CD2 HIS A 31 28.111 4.786 6.000 1.00 24.60 C ATOM 301 CE1 HIS A 31 27.390 3.346 7.487 1.00 22.62 C ATOM 302 NE2 HIS A 31 28.122 4.433 7.329 1.00 25.23 N ATOM 303 H HIS A 31 26.084 3.701 1.525 1.00 0.00 H ATOM 304 N GLY A 32 25.559 6.641 4.676 1.00 24.59 N ATOM 305 CA GLY A 32 25.822 8.059 4.871 1.00 26.30 C ATOM 306 C GLY A 32 24.734 8.974 4.349 1.00 27.79 C ATOM 307 O GLY A 32 24.926 10.184 4.271 1.00 32.23 O ATOM 308 H GLY A 32 25.050 6.106 5.408 1.00 0.00 H ATOM 309 N HIS A 33 23.587 8.402 3.996 1.00 27.35 N ATOM 310 CA HIS A 33 22.506 9.182 3.405 1.00 28.80 C ATOM 311 C HIS A 33 21.176 8.957 4.117 1.00 30.99 C ATOM 312 O HIS A 33 20.111 9.122 3.525 1.00 35.46 O ATOM 313 CB HIS A 33 22.380 8.858 1.918 1.00 28.32 C ATOM 314 CG HIS A 33 23.548 9.319 1.106 1.00 28.00 C ATOM 315 ND1 HIS A 33 23.452 10.330 0.174 1.00 31.39 N ATOM 316 CD2 HIS A 33 24.840 8.913 1.091 1.00 31.99 C ATOM 317 CE1 HIS A 33 24.636 10.528 -0.379 1.00 31.68 C ATOM 318 NE2 HIS A 33 25.496 9.684 0.163 1.00 33.24 N ATOM 319 H HIS A 33 23.459 7.381 4.144 1.00 0.00 H ATOM 320 N ARG A 34 21.254 8.587 5.391 1.00 29.68 N ATOM 321 CA ARG A 34 20.076 8.370 6.231 1.00 30.40 C ATOM 322 C ARG A 34 19.078 7.352 5.673 1.00 31.28 C ATOM 323 O ARG A 34 17.878 7.464 5.896 1.00 35.74 O ATOM 324 CB ARG A 34 19.388 9.698 6.568 1.00 36.39 C ATOM 325 CG ARG A 34 20.305 10.679 7.287 1.00 42.58 C ATOM 326 CD ARG A 34 19.528 11.672 8.139 1.00 53.38 C ATOM 327 NE ARG A 34 20.417 12.573 8.870 1.00 60.29 N ATOM 328 CZ ARG A 34 21.018 12.269 10.017 1.00 66.55 C ATOM 329 NH1 ARG A 34 20.833 11.078 10.574 1.00 67.66 N ATOM 330 NH2 ARG A 34 21.809 13.154 10.610 1.00 69.65 N ATOM 331 HE ARG A 34 20.591 13.515 8.466 1.00 0.00 H ATOM 332 HH12 ARG A 34 21.305 10.844 11.471 1.00 0.00 H ATOM 333 HH11 ARG A 34 20.216 10.379 10.113 1.00 0.00 H ATOM 334 HH22 ARG A 34 22.278 12.914 11.507 1.00 0.00 H ATOM 335 HH21 ARG A 34 21.960 14.088 10.178 1.00 0.00 H ATOM 336 H ARG A 34 22.195 8.445 5.810 1.00 0.00 H ATOM 337 N ASN A 35 19.592 6.337 4.986 1.00 27.50 N ATOM 338 CA ASN A 35 18.752 5.295 4.408 1.00 27.88 C ATOM 339 C ASN A 35 18.360 4.176 5.376 1.00 29.14 C ATOM 340 O ASN A 35 17.340 3.520 5.190 1.00 35.13 O ATOM 341 CB ASN A 35 19.395 4.733 3.135 1.00 26.73 C ATOM 342 CG ASN A 35 19.319 5.710 1.977 1.00 27.58 C ATOM 343 OD1 ASN A 35 18.247 6.220 1.666 1.00 34.23 O ATOM 344 ND2 ASN A 35 20.446 5.979 1.343 1.00 26.37 N ATOM 345 HD22 ASN A 35 21.332 5.523 1.641 1.00 0.00 H ATOM 346 HD21 ASN A 35 20.447 6.647 0.546 1.00 0.00 H ATOM 347 H ASN A 35 20.623 6.285 4.857 1.00 0.00 H ATOM 348 N LEU A 36 19.166 3.967 6.408 1.00 24.55 N ATOM 349 CA LEU A 36 18.845 3.017 7.471 1.00 22.72 C ATOM 350 C LEU A 36 18.661 3.766 8.775 1.00 23.08 C ATOM 351 O LEU A 36 19.085 4.920 8.901 1.00 25.86 O ATOM 352 CB LEU A 36 19.976 2.004 7.653 1.00 27.07 C ATOM 353 CG LEU A 36 20.414 1.152 6.464 1.00 30.55 C ATOM 354 CD1 LEU A 36 21.515 0.193 6.894 1.00 34.45 C ATOM 355 CD2 LEU A 36 19.235 0.399 5.886 1.00 35.73 C ATOM 356 H LEU A 36 20.058 4.498 6.463 1.00 0.00 H ATOM 357 N ILE A 37 18.043 3.110 9.751 1.00 22.22 N ATOM 358 CA ILE A 37 17.925 3.712 11.075 1.00 23.05 C ATOM 359 C ILE A 37 19.314 4.075 11.602 1.00 23.39 C ATOM 360 O ILE A 37 20.289 3.370 11.341 1.00 22.19 O ATOM 361 CB ILE A 37 17.169 2.804 12.066 1.00 22.87 C ATOM 362 CG1 ILE A 37 17.827 1.425 12.155 1.00 23.02 C ATOM 363 CG2 ILE A 37 15.699 2.698 11.658 1.00 25.11 C ATOM 364 CD1 ILE A 37 17.269 0.549 13.257 1.00 26.68 C ATOM 365 H ILE A 37 17.643 2.167 9.571 1.00 0.00 H ATOM 366 N PRO A 38 19.415 5.200 12.323 1.00 24.63 N ATOM 367 CA PRO A 38 20.750 5.714 12.650 1.00 25.41 C ATOM 368 C PRO A 38 21.617 4.754 13.476 1.00 24.05 C ATOM 369 O PRO A 38 22.818 4.675 13.227 1.00 24.24 O ATOM 370 CB PRO A 38 20.462 7.022 13.401 1.00 29.74 C ATOM 371 CG PRO A 38 19.017 6.992 13.739 1.00 31.03 C ATOM 372 CD PRO A 38 18.343 6.123 12.730 1.00 25.41 C ATOM 373 N GLY A 39 21.033 4.024 14.419 1.00 23.79 N ATOM 374 CA GLY A 39 21.821 3.125 15.245 1.00 24.98 C ATOM 375 C GLY A 39 22.423 1.975 14.463 1.00 23.67 C ATOM 376 O GLY A 39 23.510 1.493 14.784 1.00 24.04 O ATOM 377 H GLY A 39 20.006 4.096 14.567 1.00 0.00 H ATOM 378 N LEU A 40 21.726 1.529 13.421 1.00 21.11 N ATOM 379 CA LEU A 40 22.247 0.449 12.591 1.00 21.37 C ATOM 380 C LEU A 40 23.389 0.971 11.725 1.00 20.96 C ATOM 381 O LEU A 40 24.433 0.330 11.600 1.00 21.67 O ATOM 382 CB LEU A 40 21.135 -0.152 11.725 1.00 22.11 C ATOM 383 CG LEU A 40 21.553 -1.313 10.828 1.00 21.85 C ATOM 384 CD1 LEU A 40 22.249 -2.406 11.633 1.00 24.42 C ATOM 385 CD2 LEU A 40 20.345 -1.857 10.076 1.00 25.54 C ATOM 386 H LEU A 40 20.803 1.953 13.197 1.00 0.00 H ATOM 387 N GLU A 41 23.210 2.150 11.139 1.00 20.43 N ATOM 388 CA GLU A 41 24.291 2.747 10.356 1.00 20.24 C ATOM 389 C GLU A 41 25.529 3.001 11.199 1.00 20.85 C ATOM 390 O GLU A 41 26.642 2.761 10.748 1.00 22.80 O ATOM 391 CB GLU A 41 23.852 4.016 9.627 1.00 22.52 C ATOM 392 CG GLU A 41 22.889 3.707 8.498 1.00 20.98 C ATOM 393 CD GLU A 41 22.962 4.670 7.328 1.00 21.93 C ATOM 394 OE1 GLU A 41 24.004 5.330 7.136 1.00 25.03 O ATOM 395 OE2 GLU A 41 21.952 4.762 6.602 1.00 24.07 O ATOM 396 H GLU A 41 22.302 2.648 11.237 1.00 0.00 H ATOM 397 N GLU A 42 25.336 3.465 12.429 1.00 21.58 N ATOM 398 CA GLU A 42 26.454 3.688 13.340 1.00 23.14 C ATOM 399 C GLU A 42 27.199 2.383 13.612 1.00 22.48 C ATOM 400 O GLU A 42 28.431 2.362 13.682 1.00 26.86 O ATOM 401 CB GLU A 42 25.946 4.268 14.650 1.00 28.10 C ATOM 402 CG GLU A 42 25.464 5.699 14.553 1.00 35.68 C ATOM 403 CD GLU A 42 24.867 6.196 15.858 1.00 48.19 C ATOM 404 OE1 GLU A 42 25.029 5.510 16.893 1.00 49.72 O ATOM 405 OE2 GLU A 42 24.230 7.272 15.845 1.00 56.33 O ATOM 406 H GLU A 42 24.369 3.673 12.749 1.00 0.00 H ATOM 407 N ALA A 43 26.452 1.295 13.778 1.00 22.36 N ATOM 408 CA ALA A 43 27.064 -0.005 14.045 1.00 23.82 C ATOM 409 C ALA A 43 27.831 -0.529 12.822 1.00 21.64 C ATOM 410 O ALA A 43 28.821 -1.254 12.953 1.00 24.16 O ATOM 411 CB ALA A 43 26.017 -1.007 14.497 1.00 24.50 C ATOM 412 H ALA A 43 25.417 1.371 13.717 1.00 0.00 H ATOM 413 N LEU A 44 27.371 -0.156 11.633 1.00 21.62 N ATOM 414 CA LEU A 44 27.974 -0.601 10.380 1.00 20.46 C ATOM 415 C LEU A 44 29.229 0.180 10.006 1.00 22.02 C ATOM 416 O LEU A 44 30.084 -0.315 9.275 1.00 21.55 O ATOM 417 CB LEU A 44 26.943 -0.515 9.250 1.00 18.94 C ATOM 418 CG LEU A 44 26.034 -1.737 9.185 1.00 18.62 C ATOM 419 CD1 LEU A 44 24.716 -1.394 8.512 1.00 21.28 C ATOM 420 CD2 LEU A 44 26.744 -2.876 8.474 1.00 23.35 C ATOM 421 H LEU A 44 26.548 0.479 11.593 1.00 0.00 H ATOM 422 N GLU A 45 29.343 1.402 10.510 1.00 22.11 N ATOM 423 CA GLU A 45 30.456 2.271 10.132 1.00 25.29 C ATOM 424 C GLU A 45 31.800 1.605 10.418 1.00 25.08 C ATOM 425 O GLU A 45 32.042 1.138 11.529 1.00 27.67 O ATOM 426 CB GLU A 45 30.360 3.593 10.889 1.00 26.59 C ATOM 427 CG GLU A 45 31.487 4.552 10.606 1.00 29.06 C ATOM 428 CD GLU A 45 31.333 5.285 9.288 1.00 35.48 C ATOM 429 OE1 GLU A 45 30.186 5.472 8.837 1.00 39.74 O ATOM 430 OE2 GLU A 45 32.368 5.690 8.711 1.00 40.77 O ATOM 431 H GLU A 45 28.630 1.747 11.184 1.00 0.00 H ATOM 432 N GLY A 46 32.654 1.530 9.403 1.00 24.80 N ATOM 433 CA GLY A 46 33.990 0.985 9.572 1.00 25.50 C ATOM 434 C GLY A 46 34.110 -0.529 9.484 1.00 27.44 C ATOM 435 O GLY A 46 35.211 -1.063 9.577 1.00 32.28 O ATOM 436 H GLY A 46 32.359 1.869 8.465 1.00 0.00 H ATOM 437 N ARG A 47 32.993 -1.228 9.306 1.00 26.47 N ATOM 438 CA ARG A 47 33.024 -2.689 9.217 1.00 24.86 C ATOM 439 C ARG A 47 33.661 -3.143 7.907 1.00 25.36 C ATOM 440 O ARG A 47 33.581 -2.444 6.903 1.00 26.94 O ATOM 441 CB ARG A 47 31.616 -3.274 9.329 1.00 25.07 C ATOM 442 CG ARG A 47 30.916 -2.980 10.649 1.00 24.70 C ATOM 443 CD ARG A 47 31.438 -3.815 11.801 1.00 24.89 C ATOM 444 NE ARG A 47 30.730 -3.461 13.027 1.00 24.87 N ATOM 445 CZ ARG A 47 30.927 -4.025 14.214 1.00 26.41 C ATOM 446 NH1 ARG A 47 31.828 -4.989 14.358 1.00 29.62 N ATOM 447 NH2 ARG A 47 30.220 -3.616 15.261 1.00 31.28 N ATOM 448 HE ARG A 47 30.015 -2.708 12.967 1.00 0.00 H ATOM 449 HH12 ARG A 47 31.977 -5.426 15.290 1.00 0.00 H ATOM 450 HH11 ARG A 47 32.385 -5.307 13.539 1.00 0.00 H ATOM 451 HH22 ARG A 47 30.370 -4.054 16.193 1.00 0.00 H ATOM 452 HH21 ARG A 47 29.517 -2.858 15.149 1.00 0.00 H ATOM 453 H ARG A 47 32.084 -0.729 9.229 1.00 0.00 H ATOM 454 N GLU A 48 34.272 -4.323 7.921 1.00 28.79 N ATOM 455 CA GLU A 48 34.920 -4.871 6.736 1.00 29.91 C ATOM 456 C GLU A 48 34.028 -5.865 5.994 1.00 25.88 C ATOM 457 O GLU A 48 33.164 -6.498 6.596 1.00 25.24 O ATOM 458 CB GLU A 48 36.227 -5.570 7.135 1.00 35.18 C ATOM 459 CG GLU A 48 37.371 -4.633 7.471 1.00 44.53 C ATOM 460 CD GLU A 48 38.181 -4.237 6.246 1.00 55.70 C ATOM 461 OE1 GLU A 48 37.590 -4.084 5.157 1.00 62.00 O ATOM 462 OE2 GLU A 48 39.414 -4.083 6.371 1.00 63.46 O ATOM 463 H GLU A 48 34.288 -4.872 8.804 1.00 0.00 H ATOM 464 N GLU A 49 34.254 -6.015 4.691 1.00 28.04 N ATOM 465 CA GLU A 49 33.649 -7.119 3.952 1.00 26.34 C ATOM 466 C GLU A 49 34.027 -8.432 4.623 1.00 25.90 C ATOM 467 O GLU A 49 35.194 -8.648 4.965 1.00 29.28 O ATOM 468 CB GLU A 49 34.135 -7.150 2.505 1.00 31.42 C ATOM 469 CG GLU A 49 33.657 -6.010 1.662 1.00 34.14 C ATOM 470 CD GLU A 49 34.205 -6.075 0.252 1.00 36.68 C ATOM 471 OE1 GLU A 49 35.446 -6.120 0.102 1.00 42.77 O ATOM 472 OE2 GLU A 49 33.401 -6.091 -0.706 1.00 35.18 O ATOM 473 H GLU A 49 34.868 -5.339 4.194 1.00 0.00 H ATOM 474 N GLY A 50 33.045 -9.309 4.790 1.00 23.73 N ATOM 475 CA GLY A 50 33.269 -10.622 5.362 1.00 23.07 C ATOM 476 C GLY A 50 33.077 -10.681 6.862 1.00 21.04 C ATOM 477 O GLY A 50 33.200 -11.757 7.441 1.00 23.08 O ATOM 478 H GLY A 50 32.082 -9.045 4.501 1.00 0.00 H ATOM 479 N GLU A 51 32.759 -9.536 7.472 1.00 20.95 N ATOM 480 CA GLU A 51 32.662 -9.405 8.923 1.00 21.59 C ATOM 481 C GLU A 51 31.241 -9.561 9.427 1.00 18.92 C ATOM 482 O GLU A 51 30.319 -8.933 8.893 1.00 20.83 O ATOM 483 CB GLU A 51 33.176 -8.027 9.372 1.00 23.95 C ATOM 484 CG GLU A 51 33.054 -7.798 10.874 1.00 25.98 C ATOM 485 CD GLU A 51 33.716 -6.521 11.359 1.00 27.27 C ATOM 486 OE1 GLU A 51 34.219 -5.727 10.531 1.00 30.12 O ATOM 487 OE2 GLU A 51 33.738 -6.315 12.592 1.00 30.10 O ATOM 488 H GLU A 51 32.572 -8.698 6.885 1.00 0.00 H ATOM 489 N ALA A 52 31.074 -10.372 10.472 1.00 19.14 N ATOM 490 CA ALA A 52 29.793 -10.560 11.149 1.00 17.96 C ATOM 491 C ALA A 52 29.801 -9.859 12.502 1.00 19.32 C ATOM 492 O ALA A 52 30.827 -9.819 13.184 1.00 21.49 O ATOM 493 CB ALA A 52 29.536 -12.043 11.357 1.00 20.62 C ATOM 494 H ALA A 52 31.899 -10.899 10.824 1.00 0.00 H ATOM 495 N PHE A 53 28.654 -9.348 12.926 1.00 18.27 N ATOM 496 CA PHE A 53 28.546 -8.740 14.245 1.00 19.36 C ATOM 497 C PHE A 53 27.104 -8.695 14.703 1.00 19.53 C ATOM 498 O PHE A 53 26.181 -8.926 13.918 1.00 20.50 O ATOM 499 CB PHE A 53 29.161 -7.328 14.262 1.00 21.38 C ATOM 500 CG PHE A 53 28.439 -6.340 13.385 1.00 20.82 C ATOM 501 CD1 PHE A 53 28.730 -6.251 12.026 1.00 22.87 C ATOM 502 CD2 PHE A 53 27.460 -5.506 13.914 1.00 22.60 C ATOM 503 CE1 PHE A 53 28.058 -5.338 11.213 1.00 22.44 C ATOM 504 CE2 PHE A 53 26.777 -4.604 13.102 1.00 25.13 C ATOM 505 CZ PHE A 53 27.078 -4.521 11.757 1.00 22.92 C ATOM 506 H PHE A 53 27.819 -9.382 12.308 1.00 0.00 H ATOM 507 N GLN A 54 26.921 -8.380 15.978 1.00 22.18 N ATOM 508 CA GLN A 54 25.614 -8.120 16.548 1.00 24.16 C ATOM 509 C GLN A 54 25.519 -6.665 16.950 1.00 25.74 C ATOM 510 O GLN A 54 26.512 -6.053 17.335 1.00 28.71 O ATOM 511 CB GLN A 54 25.395 -8.973 17.785 1.00 30.16 C ATOM 512 CG GLN A 54 25.399 -10.444 17.515 1.00 42.09 C ATOM 513 CD GLN A 54 25.109 -11.239 18.761 1.00 50.16 C ATOM 514 OE1 GLN A 54 24.147 -10.959 19.479 1.00 54.99 O ATOM 515 NE2 GLN A 54 25.944 -12.231 19.034 1.00 55.65 N ATOM 516 HE22 GLN A 54 26.742 -12.429 18.397 1.00 0.00 H ATOM 517 HE21 GLN A 54 25.801 -12.812 19.885 1.00 0.00 H ATOM 518 H GLN A 54 27.754 -8.317 16.598 1.00 0.00 H ATOM 519 N ALA A 55 24.316 -6.117 16.873 1.00 23.11 N ATOM 520 CA ALA A 55 24.079 -4.753 17.300 1.00 24.56 C ATOM 521 C ALA A 55 22.772 -4.669 18.051 1.00 24.78 C ATOM 522 O ALA A 55 21.728 -5.082 17.545 1.00 26.83 O ATOM 523 CB ALA A 55 24.050 -3.817 16.108 1.00 28.99 C ATOM 524 H ALA A 55 23.524 -6.678 16.498 1.00 0.00 H ATOM 525 N HIS A 56 22.839 -4.118 19.253 1.00 26.59 N ATOM 526 CA HIS A 56 21.653 -3.782 20.014 1.00 25.38 C ATOM 527 C HIS A 56 21.373 -2.304 19.804 1.00 25.23 C ATOM 528 O HIS A 56 22.189 -1.453 20.170 1.00 29.16 O ATOM 529 CB HIS A 56 21.888 -4.060 21.494 1.00 29.98 C ATOM 530 CG HIS A 56 20.730 -3.693 22.370 1.00 35.86 C ATOM 531 ND1 HIS A 56 19.641 -4.518 22.547 1.00 39.07 N ATOM 532 CD2 HIS A 56 20.490 -2.588 23.115 1.00 36.56 C ATOM 533 CE1 HIS A 56 18.780 -3.939 23.366 1.00 40.02 C ATOM 534 NE2 HIS A 56 19.272 -2.767 23.726 1.00 39.01 N ATOM 535 H HIS A 56 23.773 -3.920 19.664 1.00 0.00 H ATOM 536 N VAL A 57 20.226 -1.996 19.208 1.00 22.69 N ATOM 537 CA VAL A 57 19.883 -0.609 18.916 1.00 22.62 C ATOM 538 C VAL A 57 18.688 -0.159 19.757 1.00 23.36 C ATOM 539 O VAL A 57 17.567 -0.628 19.548 1.00 25.82 O ATOM 540 CB VAL A 57 19.566 -0.406 17.415 1.00 22.36 C ATOM 541 CG1 VAL A 57 19.283 1.068 17.129 1.00 24.57 C ATOM 542 CG2 VAL A 57 20.708 -0.917 16.549 1.00 24.60 C ATOM 543 H VAL A 57 19.564 -2.754 18.946 1.00 0.00 H ATOM 544 N PRO A 58 18.922 0.743 20.727 1.00 26.21 N ATOM 545 CA PRO A 58 17.822 1.242 21.558 1.00 28.52 C ATOM 546 C PRO A 58 16.808 2.018 20.728 1.00 24.49 C ATOM 547 O PRO A 58 17.151 2.540 19.658 1.00 24.18 O ATOM 548 CB PRO A 58 18.528 2.173 22.550 1.00 29.77 C ATOM 549 CG PRO A 58 19.930 1.670 22.607 1.00 28.53 C ATOM 550 CD PRO A 58 20.230 1.223 21.204 1.00 27.13 C ATOM 551 N ALA A 59 15.573 2.081 21.219 1.00 24.32 N ATOM 552 CA ALA A 59 14.491 2.748 20.502 1.00 24.81 C ATOM 553 C ALA A 59 14.893 4.139 20.021 1.00 25.33 C ATOM 554 O ALA A 59 14.566 4.528 18.904 1.00 26.70 O ATOM 555 CB ALA A 59 13.241 2.816 21.370 1.00 26.78 C ATOM 556 H ALA A 59 15.373 1.642 22.140 1.00 0.00 H ATOM 557 N GLU A 60 15.628 4.872 20.853 1.00 26.60 N ATOM 558 CA GLU A 60 16.032 6.237 20.522 1.00 29.11 C ATOM 559 C GLU A 60 16.843 6.328 19.224 1.00 29.73 C ATOM 560 O GLU A 60 16.792 7.339 18.525 1.00 32.41 O ATOM 561 CB GLU A 60 16.837 6.845 21.675 1.00 35.50 C ATOM 562 CG GLU A 60 17.183 8.311 21.482 1.00 43.69 C ATOM 563 CD GLU A 60 18.194 8.811 22.494 1.00 56.89 C ATOM 564 OE1 GLU A 60 18.603 8.021 23.373 1.00 60.29 O ATOM 565 OE2 GLU A 60 18.585 9.995 22.408 1.00 63.30 O ATOM 566 H GLU A 60 15.923 4.463 21.763 1.00 0.00 H ATOM 567 N LYS A 61 17.591 5.274 18.908 1.00 26.17 N ATOM 568 CA LYS A 61 18.418 5.253 17.705 1.00 27.80 C ATOM 569 C LYS A 61 17.795 4.391 16.616 1.00 24.02 C ATOM 570 O LYS A 61 18.421 4.106 15.598 1.00 24.09 O ATOM 571 CB LYS A 61 19.819 4.738 18.028 1.00 29.83 C ATOM 572 CG LYS A 61 20.633 5.676 18.891 1.00 34.20 C ATOM 573 CD LYS A 61 22.033 5.125 19.099 1.00 40.48 C ATOM 574 CE LYS A 61 22.907 6.107 19.853 1.00 45.36 C ATOM 575 NZ LYS A 61 24.256 5.532 20.125 1.00 51.90 N ATOM 576 HZ1 LYS A 61 24.155 4.670 20.698 1.00 0.00 H ATOM 577 HZ2 LYS A 61 24.720 5.299 19.224 1.00 0.00 H ATOM 578 HZ3 LYS A 61 24.830 6.228 20.642 1.00 0.00 H ATOM 579 H LYS A 61 17.586 4.444 19.534 1.00 0.00 H ATOM 580 N ALA A 62 16.562 3.965 16.847 1.00 24.08 N ATOM 581 CA ALA A 62 15.859 3.139 15.889 1.00 22.43 C ATOM 582 C ALA A 62 14.644 3.909 15.389 1.00 23.63 C ATOM 583 O ALA A 62 14.804 4.877 14.656 1.00 28.41 O ATOM 584 CB ALA A 62 15.481 1.804 16.500 1.00 24.03 C ATOM 585 H ALA A 62 16.090 4.230 17.735 1.00 0.00 H ATOM 586 N TYR A 63 13.443 3.522 15.807 1.00 22.87 N ATOM 587 CA TYR A 63 12.237 4.199 15.330 1.00 24.79 C ATOM 588 C TYR A 63 11.664 5.217 16.312 1.00 25.44 C ATOM 589 O TYR A 63 10.585 5.762 16.088 1.00 28.74 O ATOM 590 CB TYR A 63 11.189 3.181 14.868 1.00 25.52 C ATOM 591 CG TYR A 63 11.671 2.440 13.642 1.00 26.34 C ATOM 592 CD1 TYR A 63 11.592 3.026 12.385 1.00 26.85 C ATOM 593 CD2 TYR A 63 12.252 1.184 13.744 1.00 26.99 C ATOM 594 CE1 TYR A 63 12.054 2.371 11.255 1.00 29.02 C ATOM 595 CE2 TYR A 63 12.722 0.520 12.619 1.00 27.96 C ATOM 596 CZ TYR A 63 12.616 1.119 11.377 1.00 28.68 C ATOM 597 OH TYR A 63 13.079 0.473 10.251 1.00 30.63 O ATOM 598 HH TYR A 63 12.923 1.043 9.457 1.00 0.00 H ATOM 599 H TYR A 63 13.360 2.732 16.478 1.00 0.00 H ATOM 600 N GLY A 64 12.400 5.484 17.387 1.00 23.65 N ATOM 601 CA GLY A 64 12.015 6.515 18.331 1.00 25.90 C ATOM 602 C GLY A 64 11.100 6.008 19.423 1.00 24.46 C ATOM 603 O GLY A 64 10.691 4.847 19.413 1.00 25.34 O ATOM 604 H GLY A 64 13.271 4.941 17.554 1.00 0.00 H ATOM 605 N PRO A 65 10.769 6.880 20.382 1.00 25.89 N ATOM 606 CA PRO A 65 9.891 6.462 21.476 1.00 27.17 C ATOM 607 C PRO A 65 8.445 6.325 21.030 1.00 26.23 C ATOM 608 O PRO A 65 8.042 6.860 19.993 1.00 26.43 O ATOM 609 CB PRO A 65 10.025 7.602 22.484 1.00 29.70 C ATOM 610 CG PRO A 65 10.383 8.795 21.659 1.00 32.17 C ATOM 611 CD PRO A 65 11.206 8.281 20.513 1.00 31.30 C ATOM 612 N HIS A 66 7.673 5.589 21.816 1.00 24.84 N ATOM 613 CA HIS A 66 6.246 5.447 21.575 1.00 24.52 C ATOM 614 C HIS A 66 5.508 6.580 22.281 1.00 23.32 C ATOM 615 O HIS A 66 5.577 6.710 23.499 1.00 26.46 O ATOM 616 CB HIS A 66 5.776 4.085 22.082 1.00 24.90 C ATOM 617 CG HIS A 66 4.360 3.762 21.727 1.00 22.62 C ATOM 618 ND1 HIS A 66 3.298 4.092 22.540 1.00 24.00 N ATOM 619 CD2 HIS A 66 3.831 3.153 20.643 1.00 22.72 C ATOM 620 CE1 HIS A 66 2.174 3.685 21.978 1.00 22.95 C ATOM 621 NE2 HIS A 66 2.469 3.117 20.822 1.00 23.51 N ATOM 622 H HIS A 66 8.100 5.099 22.628 1.00 0.00 H ATOM 623 N ASP A 67 4.824 7.414 21.507 1.00 23.71 N ATOM 624 CA ASP A 67 4.093 8.559 22.044 1.00 24.32 C ATOM 625 C ASP A 67 2.668 8.136 22.412 1.00 21.62 C ATOM 626 O ASP A 67 1.906 7.732 21.543 1.00 22.43 O ATOM 627 CB ASP A 67 4.052 9.665 20.975 1.00 28.08 C ATOM 628 CG ASP A 67 3.413 10.962 21.469 1.00 33.78 C ATOM 629 OD1 ASP A 67 2.850 10.996 22.583 1.00 30.05 O ATOM 630 OD2 ASP A 67 3.475 11.962 20.720 1.00 39.66 O ATOM 631 H ASP A 67 4.808 7.246 20.481 1.00 0.00 H ATOM 632 N PRO A 68 2.299 8.233 23.700 1.00 21.44 N ATOM 633 CA PRO A 68 0.931 7.878 24.108 1.00 20.86 C ATOM 634 C PRO A 68 -0.138 8.669 23.359 1.00 20.53 C ATOM 635 O PRO A 68 -1.230 8.150 23.134 1.00 21.81 O ATOM 636 CB PRO A 68 0.906 8.234 25.598 1.00 23.34 C ATOM 637 CG PRO A 68 2.306 8.096 26.022 1.00 28.08 C ATOM 638 CD PRO A 68 3.133 8.582 24.857 1.00 23.70 C ATOM 639 N GLU A 69 0.173 9.899 22.954 1.00 21.41 N ATOM 640 CA GLU A 69 -0.797 10.734 22.251 1.00 24.39 C ATOM 641 C GLU A 69 -1.125 10.199 20.859 1.00 22.93 C ATOM 642 O GLU A 69 -2.114 10.611 20.251 1.00 25.06 O ATOM 643 CB GLU A 69 -0.309 12.181 22.167 1.00 28.27 C ATOM 644 CG GLU A 69 -0.171 12.849 23.517 1.00 37.34 C ATOM 645 CD GLU A 69 -1.439 12.755 24.348 1.00 48.47 C ATOM 646 OE1 GLU A 69 -2.517 13.157 23.856 1.00 50.59 O ATOM 647 OE2 GLU A 69 -1.354 12.269 25.497 1.00 55.30 O ATOM 648 H GLU A 69 1.125 10.272 23.142 1.00 0.00 H ATOM 649 N GLY A 70 -0.302 9.279 20.363 1.00 20.82 N ATOM 650 CA GLY A 70 -0.538 8.659 19.069 1.00 21.57 C ATOM 651 C GLY A 70 -1.606 7.580 19.114 1.00 18.58 C ATOM 652 O GLY A 70 -2.018 7.059 18.070 1.00 20.34 O ATOM 653 H GLY A 70 0.532 8.996 20.915 1.00 0.00 H ATOM 654 N VAL A 71 -2.061 7.241 20.319 1.00 18.45 N ATOM 655 CA VAL A 71 -3.084 6.213 20.492 1.00 17.85 C ATOM 656 C VAL A 71 -4.408 6.911 20.750 1.00 17.84 C ATOM 657 O VAL A 71 -4.544 7.666 21.717 1.00 20.42 O ATOM 658 CB VAL A 71 -2.743 5.265 21.657 1.00 17.92 C ATOM 659 CG1 VAL A 71 -3.761 4.138 21.743 1.00 19.18 C ATOM 660 CG2 VAL A 71 -1.322 4.692 21.487 1.00 21.58 C ATOM 661 H VAL A 71 -1.678 7.721 21.158 1.00 0.00 H ATOM 662 N GLN A 72 -5.375 6.676 19.865 1.00 17.07 N ATOM 663 CA GLN A 72 -6.609 7.454 19.832 1.00 16.86 C ATOM 664 C GLN A 72 -7.801 6.560 19.558 1.00 15.54 C ATOM 665 O GLN A 72 -7.663 5.472 18.988 1.00 17.76 O ATOM 666 CB GLN A 72 -6.512 8.538 18.747 1.00 20.56 C ATOM 667 CG GLN A 72 -5.406 9.550 19.014 1.00 23.53 C ATOM 668 CD GLN A 72 -5.038 10.382 17.815 1.00 30.48 C ATOM 669 OE1 GLN A 72 -5.842 10.578 16.900 1.00 32.68 O ATOM 670 NE2 GLN A 72 -3.803 10.871 17.804 1.00 31.71 N ATOM 671 HE22 GLN A 72 -3.161 10.679 18.599 1.00 0.00 H ATOM 672 HE21 GLN A 72 -3.479 11.446 17.000 1.00 0.00 H ATOM 673 H GLN A 72 -5.246 5.911 19.173 1.00 0.00 H ATOM 674 N VAL A 73 -8.982 7.036 19.941 1.00 16.01 N ATOM 675 CA VAL A 73 -10.219 6.336 19.634 1.00 17.30 C ATOM 676 C VAL A 73 -10.906 7.051 18.487 1.00 16.66 C ATOM 677 O VAL A 73 -11.102 8.271 18.527 1.00 18.13 O ATOM 678 CB VAL A 73 -11.179 6.319 20.837 1.00 17.81 C ATOM 679 CG1 VAL A 73 -12.480 5.594 20.473 1.00 20.09 C ATOM 680 CG2 VAL A 73 -10.519 5.664 22.042 1.00 21.14 C ATOM 681 H VAL A 73 -9.022 7.929 20.472 1.00 0.00 H ATOM 682 N VAL A 74 -11.286 6.280 17.476 1.00 16.69 N ATOM 683 CA VAL A 74 -11.904 6.810 16.256 1.00 16.45 C ATOM 684 C VAL A 74 -13.133 5.964 15.909 1.00 16.80 C ATOM 685 O VAL A 74 -13.257 4.834 16.370 1.00 17.60 O ATOM 686 CB VAL A 74 -10.892 6.826 15.082 1.00 16.97 C ATOM 687 CG1 VAL A 74 -9.665 7.670 15.436 1.00 19.55 C ATOM 688 CG2 VAL A 74 -10.515 5.411 14.668 1.00 19.30 C ATOM 689 H VAL A 74 -11.139 5.253 17.552 1.00 0.00 H ATOM 690 N PRO A 75 -14.051 6.502 15.091 1.00 16.14 N ATOM 691 CA PRO A 75 -15.262 5.724 14.783 1.00 17.27 C ATOM 692 C PRO A 75 -15.043 4.596 13.782 1.00 16.05 C ATOM 693 O PRO A 75 -14.310 4.740 12.803 1.00 17.55 O ATOM 694 CB PRO A 75 -16.221 6.765 14.203 1.00 18.20 C ATOM 695 CG PRO A 75 -15.365 7.861 13.731 1.00 21.46 C ATOM 696 CD PRO A 75 -14.100 7.866 14.540 1.00 18.24 C ATOM 697 N LEU A 76 -15.705 3.471 14.027 1.00 16.91 N ATOM 698 CA LEU A 76 -15.676 2.358 13.084 1.00 18.05 C ATOM 699 C LEU A 76 -16.216 2.799 11.712 1.00 17.62 C ATOM 700 O LEU A 76 -15.758 2.321 10.676 1.00 19.30 O ATOM 701 CB LEU A 76 -16.480 1.182 13.649 1.00 19.63 C ATOM 702 CG LEU A 76 -16.509 -0.118 12.840 1.00 19.52 C ATOM 703 CD1 LEU A 76 -15.108 -0.590 12.473 1.00 20.61 C ATOM 704 CD2 LEU A 76 -17.260 -1.185 13.608 1.00 22.70 C ATOM 705 H LEU A 76 -16.253 3.382 14.906 1.00 0.00 H ATOM 706 N SER A 77 -17.156 3.744 11.716 1.00 17.98 N ATOM 707 CA SER A 77 -17.752 4.285 10.492 1.00 17.63 C ATOM 708 C SER A 77 -16.734 4.947 9.563 1.00 18.26 C ATOM 709 O SER A 77 -17.010 5.164 8.383 1.00 19.24 O ATOM 710 CB SER A 77 -18.847 5.293 10.840 1.00 20.54 C ATOM 711 OG SER A 77 -19.902 4.686 11.561 1.00 19.68 O ATOM 712 HG SER A 77 -19.548 4.305 12.403 1.00 0.00 H ATOM 713 H SER A 77 -17.482 4.115 12.631 1.00 0.00 H ATOM 714 N ALA A 78 -15.562 5.295 10.093 1.00 16.84 N ATOM 715 CA ALA A 78 -14.511 5.930 9.293 1.00 17.86 C ATOM 716 C ALA A 78 -13.755 4.962 8.383 1.00 18.65 C ATOM 717 O ALA A 78 -13.007 5.390 7.507 1.00 21.46 O ATOM 718 CB ALA A 78 -13.518 6.667 10.195 1.00 20.25 C ATOM 719 H ALA A 78 -15.388 5.111 11.102 1.00 0.00 H ATOM 720 N PHE A 79 -13.925 3.662 8.599 1.00 18.19 N ATOM 721 CA PHE A 79 -13.146 2.674 7.854 1.00 19.10 C ATOM 722 C PHE A 79 -13.901 2.216 6.611 1.00 20.36 C ATOM 723 O PHE A 79 -15.126 2.300 6.573 1.00 22.38 O ATOM 724 CB PHE A 79 -12.779 1.507 8.776 1.00 19.34 C ATOM 725 CG PHE A 79 -11.819 1.899 9.854 1.00 17.53 C ATOM 726 CD1 PHE A 79 -12.279 2.453 11.041 1.00 19.15 C ATOM 727 CD2 PHE A 79 -10.454 1.753 9.664 1.00 20.79 C ATOM 728 CE1 PHE A 79 -11.390 2.845 12.027 1.00 19.33 C ATOM 729 CE2 PHE A 79 -9.562 2.142 10.647 1.00 20.80 C ATOM 730 CZ PHE A 79 -10.031 2.681 11.830 1.00 19.53 C ATOM 731 H PHE A 79 -14.619 3.344 9.305 1.00 0.00 H ATOM 732 N PRO A 80 -13.176 1.748 5.579 1.00 21.60 N ATOM 733 CA PRO A 80 -13.841 1.370 4.322 1.00 24.76 C ATOM 734 C PRO A 80 -14.884 0.258 4.493 1.00 24.22 C ATOM 735 O PRO A 80 -14.746 -0.581 5.372 1.00 24.54 O ATOM 736 CB PRO A 80 -12.680 0.871 3.465 1.00 26.49 C ATOM 737 CG PRO A 80 -11.480 1.598 3.988 1.00 25.12 C ATOM 738 CD PRO A 80 -11.705 1.682 5.470 1.00 23.31 C ATOM 739 N GLU A 81 -15.919 0.244 3.654 1.00 30.14 N ATOM 740 CA GLU A 81 -16.954 -0.786 3.775 1.00 31.94 C ATOM 741 C GLU A 81 -16.381 -2.191 3.648 1.00 31.50 C ATOM 742 O GLU A 81 -16.849 -3.119 4.315 1.00 36.54 O ATOM 743 CB GLU A 81 -18.083 -0.589 2.759 1.00 34.30 C ATOM 744 CG GLU A 81 -19.164 -1.677 2.839 1.00 38.12 C ATOM 745 CD GLU A 81 -18.806 -2.942 2.054 1.00 45.59 C ATOM 746 OE1 GLU A 81 -18.070 -2.840 1.050 1.00 49.25 O ATOM 747 OE2 GLU A 81 -19.245 -4.039 2.453 1.00 43.36 O ATOM 748 H GLU A 81 -15.993 0.967 2.910 1.00 0.00 H ATOM 749 N ASP A 82 -15.366 -2.348 2.806 1.00 29.17 N ATOM 750 CA ASP A 82 -14.814 -3.663 2.546 1.00 32.34 C ATOM 751 C ASP A 82 -13.556 -3.908 3.361 1.00 32.26 C ATOM 752 O ASP A 82 -12.733 -4.741 3.002 1.00 37.43 O ATOM 753 CB ASP A 82 -14.545 -3.849 1.051 1.00 37.44 C ATOM 754 CG ASP A 82 -13.539 -2.852 0.503 1.00 40.37 C ATOM 755 OD1 ASP A 82 -13.434 -1.726 1.035 1.00 41.67 O ATOM 756 OD2 ASP A 82 -12.853 -3.204 -0.480 1.00 45.72 O ATOM 757 H ASP A 82 -14.962 -1.518 2.327 1.00 0.00 H ATOM 758 N ALA A 83 -13.422 -3.183 4.469 1.00 30.63 N ATOM 759 CA ALA A 83 -12.260 -3.314 5.333 1.00 29.80 C ATOM 760 C ALA A 83 -12.453 -4.368 6.416 1.00 28.81 C ATOM 761 O ALA A 83 -13.541 -4.511 6.979 1.00 32.64 O ATOM 762 CB ALA A 83 -11.922 -1.973 5.966 1.00 33.13 C ATOM 763 H ALA A 83 -14.168 -2.505 4.724 1.00 0.00 H ATOM 764 N GLU A 84 -11.385 -5.103 6.701 1.00 33.19 N ATOM 765 CA GLU A 84 -11.339 -5.953 7.881 1.00 32.65 C ATOM 766 C GLU A 84 -10.710 -5.136 8.996 1.00 30.43 C ATOM 767 O GLU A 84 -9.492 -4.978 9.045 1.00 35.78 O ATOM 768 CB GLU A 84 -10.499 -7.202 7.622 1.00 40.83 C ATOM 769 CG GLU A 84 -10.586 -8.244 8.723 1.00 49.11 C ATOM 770 CD GLU A 84 -9.654 -9.421 8.492 1.00 58.83 C ATOM 771 OE1 GLU A 84 -8.714 -9.292 7.676 1.00 63.00 O ATOM 772 OE2 GLU A 84 -9.860 -10.476 9.131 1.00 61.17 O ATOM 773 H GLU A 84 -10.562 -5.071 6.066 1.00 0.00 H ATOM 774 N VAL A 85 -11.543 -4.590 9.875 1.00 27.12 N ATOM 775 CA VAL A 85 -11.037 -3.748 10.945 1.00 25.69 C ATOM 776 C VAL A 85 -10.807 -4.617 12.175 1.00 27.57 C ATOM 777 O VAL A 85 -11.716 -4.845 12.970 1.00 31.12 O ATOM 778 CB VAL A 85 -11.988 -2.582 11.258 1.00 25.04 C ATOM 779 CG1 VAL A 85 -11.319 -1.598 12.212 1.00 26.02 C ATOM 780 CG2 VAL A 85 -12.406 -1.878 9.970 1.00 26.02 C ATOM 781 H VAL A 85 -12.565 -4.767 9.796 1.00 0.00 H ATOM 782 N VAL A 86 -9.585 -5.126 12.300 1.00 29.94 N ATOM 783 CA VAL A 86 -9.212 -6.022 13.389 1.00 29.90 C ATOM 784 C VAL A 86 -7.835 -5.628 13.902 1.00 28.74 C ATOM 785 O VAL A 86 -7.089 -4.940 13.200 1.00 29.26 O ATOM 786 CB VAL A 86 -9.170 -7.490 12.920 1.00 31.73 C ATOM 787 CG1 VAL A 86 -10.566 -7.977 12.558 1.00 35.52 C ATOM 788 CG2 VAL A 86 -8.213 -7.642 11.748 1.00 35.45 C ATOM 789 H VAL A 86 -8.866 -4.875 11.592 1.00 0.00 H ATOM 790 N PRO A 87 -7.491 -6.046 15.131 1.00 30.63 N ATOM 791 CA PRO A 87 -6.170 -5.682 15.650 1.00 31.59 C ATOM 792 C PRO A 87 -5.056 -6.130 14.711 1.00 34.79 C ATOM 793 O PRO A 87 -5.069 -7.256 14.206 1.00 37.54 O ATOM 794 CB PRO A 87 -6.104 -6.435 16.977 1.00 34.12 C ATOM 795 CG PRO A 87 -7.527 -6.455 17.430 1.00 33.33 C ATOM 796 CD PRO A 87 -8.330 -6.670 16.169 1.00 31.77 C ATOM 797 N GLY A 88 -4.116 -5.228 14.456 1.00 31.32 N ATOM 798 CA GLY A 88 -3.025 -5.500 13.543 1.00 33.08 C ATOM 799 C GLY A 88 -3.232 -4.924 12.156 1.00 33.33 C ATOM 800 O GLY A 88 -2.272 -4.750 11.409 1.00 36.99 O ATOM 801 H GLY A 88 -4.164 -4.301 14.925 1.00 0.00 H ATOM 802 N ALA A 89 -4.477 -4.622 11.802 1.00 30.53 N ATOM 803 CA ALA A 89 -4.766 -4.104 10.466 1.00 31.33 C ATOM 804 C ALA A 89 -4.236 -2.683 10.284 1.00 30.72 C ATOM 805 O ALA A 89 -4.300 -1.864 11.196 1.00 29.99 O ATOM 806 CB ALA A 89 -6.257 -4.162 10.173 1.00 32.44 C ATOM 807 H ALA A 89 -5.253 -4.755 12.482 1.00 0.00 H ATOM 808 N GLN A 90 -3.723 -2.394 9.094 1.00 32.11 N ATOM 809 CA GLN A 90 -3.145 -1.090 8.805 1.00 30.25 C ATOM 810 C GLN A 90 -3.999 -0.273 7.837 1.00 27.94 C ATOM 811 O GLN A 90 -4.507 -0.786 6.829 1.00 31.67 O ATOM 812 CB GLN A 90 -1.728 -1.244 8.249 1.00 36.59 C ATOM 813 CG GLN A 90 -0.999 0.080 8.036 1.00 46.41 C ATOM 814 CD GLN A 90 0.499 -0.094 7.863 1.00 55.62 C ATOM 815 OE1 GLN A 90 1.043 0.138 6.782 1.00 59.39 O ATOM 816 NE2 GLN A 90 1.176 -0.497 8.936 1.00 57.54 N ATOM 817 HE22 GLN A 90 0.675 -0.681 9.828 1.00 0.00 H ATOM 818 HE21 GLN A 90 2.206 -0.628 8.882 1.00 0.00 H ATOM 819 H GLN A 90 -3.735 -3.119 8.348 1.00 0.00 H ATOM 820 N PHE A 91 -4.145 1.007 8.154 1.00 24.66 N ATOM 821 CA PHE A 91 -4.888 1.939 7.319 1.00 23.98 C ATOM 822 C PHE A 91 -4.124 3.248 7.222 1.00 24.02 C ATOM 823 O PHE A 91 -3.072 3.407 7.846 1.00 27.89 O ATOM 824 CB PHE A 91 -6.294 2.167 7.888 1.00 23.47 C ATOM 825 CG PHE A 91 -7.131 0.923 7.915 1.00 23.59 C ATOM 826 CD1 PHE A 91 -7.898 0.568 6.815 1.00 25.16 C ATOM 827 CD2 PHE A 91 -7.138 0.099 9.029 1.00 23.87 C ATOM 828 CE1 PHE A 91 -8.665 -0.586 6.829 1.00 27.20 C ATOM 829 CE2 PHE A 91 -7.898 -1.055 9.048 1.00 25.98 C ATOM 830 CZ PHE A 91 -8.659 -1.404 7.938 1.00 26.43 C ATOM 831 H PHE A 91 -3.712 1.358 9.032 1.00 0.00 H ATOM 832 N TYR A 92 -4.646 4.174 6.425 1.00 24.82 N ATOM 833 CA TYR A 92 -4.003 5.461 6.228 1.00 26.95 C ATOM 834 C TYR A 92 -4.981 6.608 6.320 1.00 27.37 C ATOM 835 O TYR A 92 -6.110 6.507 5.847 1.00 29.82 O ATOM 836 CB TYR A 92 -3.362 5.528 4.841 1.00 31.14 C ATOM 837 CG TYR A 92 -2.243 4.550 4.631 1.00 36.61 C ATOM 838 CD1 TYR A 92 -2.497 3.256 4.207 1.00 39.81 C ATOM 839 CD2 TYR A 92 -0.927 4.920 4.871 1.00 38.53 C ATOM 840 CE1 TYR A 92 -1.464 2.353 4.017 1.00 43.14 C ATOM 841 CE2 TYR A 92 0.106 4.031 4.692 1.00 39.88 C ATOM 842 CZ TYR A 92 -0.165 2.749 4.263 1.00 44.36 C ATOM 843 OH TYR A 92 0.866 1.860 4.081 1.00 49.29 O ATOM 844 HH TYR A 92 1.346 1.733 4.938 1.00 0.00 H ATOM 845 H TYR A 92 -5.538 3.972 5.930 1.00 0.00 H ATOM 846 N ALA A 93 -4.528 7.698 6.929 1.00 30.45 N ATOM 847 CA ALA A 93 -5.189 8.987 6.822 1.00 34.62 C ATOM 848 C ALA A 93 -4.304 9.869 5.949 1.00 41.89 C ATOM 849 O ALA A 93 -3.114 9.593 5.792 1.00 45.03 O ATOM 850 CB ALA A 93 -5.358 9.601 8.188 1.00 35.95 C ATOM 851 H ALA A 93 -3.665 7.626 7.506 1.00 0.00 H ATOM 852 N GLN A 94 -4.874 10.925 5.380 1.00 52.59 N ATOM 853 CA GLN A 94 -4.101 11.820 4.519 1.00 58.29 C ATOM 854 C GLN A 94 -3.873 13.177 5.186 1.00 63.34 C ATOM 855 O GLN A 94 -4.827 13.891 5.494 1.00 62.13 O ATOM 856 CB GLN A 94 -4.790 11.983 3.162 1.00 62.79 C ATOM 857 CG GLN A 94 -3.877 11.696 1.976 1.00 67.37 C ATOM 858 CD GLN A 94 -4.638 11.260 0.736 1.00 71.68 C ATOM 859 OE1 GLN A 94 -4.411 10.171 0.206 1.00 72.28 O ATOM 860 NE2 GLN A 94 -5.543 12.111 0.264 1.00 73.82 N ATOM 861 HE22 GLN A 94 -5.702 13.020 0.744 1.00 0.00 H ATOM 862 HE21 GLN A 94 -6.092 11.868 -0.585 1.00 0.00 H ATOM 863 H GLN A 94 -5.882 11.118 5.549 1.00 0.00 H ATOM 864 N ASP A 95 -2.607 13.527 5.407 1.00 68.91 N ATOM 865 CA ASP A 95 -2.269 14.744 6.147 1.00 72.40 C ATOM 866 C ASP A 95 -2.151 15.993 5.265 1.00 70.34 C ATOM 867 O ASP A 95 -2.158 15.904 4.035 1.00 67.00 O ATOM 868 CB ASP A 95 -1.009 14.538 7.010 1.00 76.41 C ATOM 869 CG ASP A 95 0.291 14.556 6.203 1.00 80.47 C ATOM 870 OD1 ASP A 95 0.250 14.585 4.954 1.00 82.14 O ATOM 871 OD2 ASP A 95 1.370 14.532 6.834 1.00 81.65 O ATOM 872 H ASP A 95 -1.842 12.922 5.046 1.00 0.00 H TER 873 ASP A 95 ATOM 874 N ASN A 99 0.675 13.641 2.284 1.00 65.81 N ATOM 875 CA ASN A 99 1.440 12.483 2.735 1.00 65.14 C ATOM 876 C ASN A 99 0.604 11.534 3.588 1.00 60.51 C ATOM 877 O ASN A 99 0.007 11.945 4.581 1.00 61.69 O ATOM 878 CB ASN A 99 2.684 12.925 3.510 1.00 69.45 C ATOM 879 CG ASN A 99 3.706 13.613 2.628 1.00 73.71 C ATOM 880 OD1 ASN A 99 3.773 13.361 1.425 1.00 76.26 O ATOM 881 ND2 ASN A 99 4.513 14.483 3.224 1.00 75.29 N ATOM 882 HD22 ASN A 99 4.420 14.664 4.244 1.00 0.00 H ATOM 883 HD21 ASN A 99 5.238 14.983 2.671 1.00 0.00 H ATOM 884 HN3 ASN A 99 0.329 14.169 3.110 1.00 0.00 H ATOM 885 HN2 ASN A 99 -0.133 13.320 1.713 1.00 0.00 H ATOM 886 HN1 ASN A 99 1.286 14.256 1.709 1.00 0.00 H ATOM 887 N PRO A 100 0.556 10.255 3.195 1.00 56.55 N ATOM 888 CA PRO A 100 -0.199 9.248 3.945 1.00 57.16 C ATOM 889 C PRO A 100 0.310 9.119 5.374 1.00 52.50 C ATOM 890 O PRO A 100 1.518 9.031 5.592 1.00 57.05 O ATOM 891 CB PRO A 100 0.086 7.956 3.174 1.00 57.32 C ATOM 892 CG PRO A 100 0.443 8.404 1.801 1.00 57.18 C ATOM 893 CD PRO A 100 1.184 9.690 1.990 1.00 58.57 C ATOM 894 N MET A 101 -0.606 9.130 6.335 1.00 44.77 N ATOM 895 CA MET A 101 -0.256 8.864 7.721 1.00 40.12 C ATOM 896 C MET A 101 -0.764 7.483 8.099 1.00 33.69 C ATOM 897 O MET A 101 -1.968 7.280 8.235 1.00 33.66 O ATOM 898 CB MET A 101 -0.863 9.913 8.651 1.00 47.49 C ATOM 899 CG MET A 101 -0.114 11.232 8.676 1.00 57.29 C ATOM 900 SD MET A 101 -0.405 12.119 10.218 1.00 65.01 S ATOM 901 CE MET A 101 0.323 10.986 11.403 1.00 63.34 C ATOM 902 H MET A 101 -1.596 9.333 6.091 1.00 0.00 H ATOM 903 N PRO A 102 0.152 6.522 8.263 1.00 31.18 N ATOM 904 CA PRO A 102 -0.280 5.161 8.582 1.00 28.83 C ATOM 905 C PRO A 102 -0.753 5.031 10.025 1.00 26.89 C ATOM 906 O PRO A 102 -0.242 5.697 10.932 1.00 27.73 O ATOM 907 CB PRO A 102 0.993 4.324 8.380 1.00 32.35 C ATOM 908 CG PRO A 102 1.999 5.233 7.775 1.00 39.70 C ATOM 909 CD PRO A 102 1.612 6.620 8.141 1.00 34.07 C ATOM 910 N LEU A 103 -1.735 4.167 10.231 1.00 24.12 N ATOM 911 CA LEU A 103 -2.172 3.809 11.578 1.00 22.54 C ATOM 912 C LEU A 103 -2.385 2.310 11.654 1.00 22.62 C ATOM 913 O LEU A 103 -2.665 1.659 10.640 1.00 25.05 O ATOM 914 CB LEU A 103 -3.462 4.543 11.978 1.00 23.91 C ATOM 915 CG LEU A 103 -4.802 4.191 11.310 1.00 22.19 C ATOM 916 CD1 LEU A 103 -5.464 2.929 11.869 1.00 24.99 C ATOM 917 CD2 LEU A 103 -5.750 5.362 11.446 1.00 24.93 C ATOM 918 H LEU A 103 -2.207 3.732 9.413 1.00 0.00 H ATOM 919 N THR A 104 -2.265 1.768 12.857 1.00 22.76 N ATOM 920 CA THR A 104 -2.512 0.360 13.090 1.00 22.63 C ATOM 921 C THR A 104 -3.700 0.264 14.035 1.00 22.73 C ATOM 922 O THR A 104 -3.761 0.977 15.034 1.00 22.50 O ATOM 923 CB THR A 104 -1.287 -0.323 13.736 1.00 27.86 C ATOM 924 OG1 THR A 104 -0.144 -0.166 12.883 1.00 33.69 O ATOM 925 CG2 THR A 104 -1.551 -1.811 13.958 1.00 32.44 C ATOM 926 HG1 THR A 104 0.043 0.798 12.758 1.00 0.00 H ATOM 927 H THR A 104 -1.985 2.371 13.657 1.00 0.00 H ATOM 928 N VAL A 105 -4.653 -0.605 13.714 1.00 21.86 N ATOM 929 CA VAL A 105 -5.760 -0.864 14.619 1.00 22.30 C ATOM 930 C VAL A 105 -5.237 -1.664 15.799 1.00 22.43 C ATOM 931 O VAL A 105 -4.564 -2.673 15.615 1.00 25.55 O ATOM 932 CB VAL A 105 -6.862 -1.670 13.920 1.00 22.50 C ATOM 933 CG1 VAL A 105 -7.938 -2.088 14.922 1.00 23.86 C ATOM 934 CG2 VAL A 105 -7.454 -0.860 12.775 1.00 24.01 C ATOM 935 H VAL A 105 -4.606 -1.106 12.804 1.00 0.00 H ATOM 936 N VAL A 106 -5.530 -1.237 17.020 1.00 21.84 N ATOM 937 CA VAL A 106 -5.059 -1.979 18.181 1.00 25.21 C ATOM 938 C VAL A 106 -6.194 -2.644 18.979 1.00 26.38 C ATOM 939 O VAL A 106 -5.987 -3.649 19.652 1.00 32.20 O ATOM 940 CB VAL A 106 -4.125 -1.124 19.066 1.00 33.48 C ATOM 941 CG1 VAL A 106 -4.856 0.050 19.641 1.00 36.73 C ATOM 942 CG2 VAL A 106 -3.527 -1.959 20.167 1.00 36.87 C ATOM 943 H VAL A 106 -6.095 -0.374 17.148 1.00 0.00 H ATOM 944 N ALA A 107 -7.400 -2.099 18.877 1.00 21.96 N ATOM 945 CA ALA A 107 -8.564 -2.698 19.533 1.00 23.15 C ATOM 946 C ALA A 107 -9.854 -2.229 18.875 1.00 20.26 C ATOM 947 O ALA A 107 -9.915 -1.124 18.349 1.00 21.99 O ATOM 948 CB ALA A 107 -8.574 -2.366 21.026 1.00 26.03 C ATOM 949 H ALA A 107 -7.521 -1.229 18.320 1.00 0.00 H ATOM 950 N VAL A 108 -10.876 -3.076 18.900 1.00 22.82 N ATOM 951 CA VAL A 108 -12.185 -2.717 18.368 1.00 23.07 C ATOM 952 C VAL A 108 -13.228 -3.057 19.410 1.00 24.15 C ATOM 953 O VAL A 108 -13.289 -4.184 19.902 1.00 29.02 O ATOM 954 CB VAL A 108 -12.519 -3.485 17.075 1.00 27.01 C ATOM 955 CG1 VAL A 108 -13.883 -3.056 16.521 1.00 29.38 C ATOM 956 CG2 VAL A 108 -11.434 -3.278 16.035 1.00 30.80 C ATOM 957 H VAL A 108 -10.739 -4.022 19.310 1.00 0.00 H ATOM 958 N GLU A 109 -14.051 -2.071 19.732 1.00 23.97 N ATOM 959 CA GLU A 109 -15.044 -2.197 20.775 1.00 29.25 C ATOM 960 C GLU A 109 -16.343 -1.561 20.293 1.00 24.18 C ATOM 961 O GLU A 109 -16.525 -0.354 20.402 1.00 24.56 O ATOM 962 CB GLU A 109 -14.533 -1.516 22.058 1.00 32.14 C ATOM 963 CG GLU A 109 -13.881 -0.113 21.859 1.00 37.59 C ATOM 964 CD GLU A 109 -12.365 -0.146 21.639 1.00 36.66 C ATOM 965 OE1 GLU A 109 -11.739 -1.190 21.924 1.00 45.62 O ATOM 966 OE2 GLU A 109 -11.799 0.882 21.192 1.00 34.05 O ATOM 967 H GLU A 109 -13.980 -1.172 19.215 1.00 0.00 H ATOM 968 N GLY A 110 -17.243 -2.371 19.746 1.00 25.13 N ATOM 969 CA GLY A 110 -18.478 -1.842 19.196 1.00 24.72 C ATOM 970 C GLY A 110 -18.194 -0.869 18.071 1.00 21.55 C ATOM 971 O GLY A 110 -17.530 -1.213 17.097 1.00 24.85 O ATOM 972 H GLY A 110 -17.061 -3.394 19.711 1.00 0.00 H ATOM 973 N GLU A 111 -18.684 0.355 18.209 1.00 21.30 N ATOM 974 CA GLU A 111 -18.495 1.360 17.168 1.00 22.48 C ATOM 975 C GLU A 111 -17.238 2.209 17.346 1.00 18.84 C ATOM 976 O GLU A 111 -17.001 3.133 16.575 1.00 20.91 O ATOM 977 CB GLU A 111 -19.729 2.258 17.049 1.00 23.84 C ATOM 978 CG GLU A 111 -20.973 1.515 16.549 1.00 27.67 C ATOM 979 CD GLU A 111 -20.761 0.857 15.192 1.00 34.91 C ATOM 980 OE1 GLU A 111 -20.128 1.478 14.319 1.00 34.61 O ATOM 981 OE2 GLU A 111 -21.235 -0.281 14.993 1.00 41.65 O ATOM 982 H GLU A 111 -19.210 0.602 19.071 1.00 0.00 H ATOM 983 N GLU A 112 -16.443 1.909 18.363 1.00 20.05 N ATOM 984 CA GLU A 112 -15.210 2.654 18.585 1.00 19.19 C ATOM 985 C GLU A 112 -14.001 1.771 18.312 1.00 19.07 C ATOM 986 O GLU A 112 -13.974 0.597 18.673 1.00 23.43 O ATOM 987 CB GLU A 112 -15.157 3.212 20.012 1.00 21.87 C ATOM 988 CG GLU A 112 -16.074 4.410 20.254 1.00 22.37 C ATOM 989 CD GLU A 112 -17.540 4.038 20.356 1.00 22.35 C ATOM 990 OE1 GLU A 112 -17.879 3.160 21.182 1.00 25.34 O ATOM 991 OE2 GLU A 112 -18.361 4.620 19.615 1.00 25.77 O ATOM 992 H GLU A 112 -16.701 1.135 19.008 1.00 0.00 H ATOM 993 N VAL A 113 -12.993 2.354 17.685 1.00 17.46 N ATOM 994 CA VAL A 113 -11.780 1.632 17.327 1.00 16.85 C ATOM 995 C VAL A 113 -10.600 2.357 17.963 1.00 15.98 C ATOM 996 O VAL A 113 -10.454 3.569 17.813 1.00 16.80 O ATOM 997 CB VAL A 113 -11.577 1.595 15.794 1.00 17.24 C ATOM 998 CG1 VAL A 113 -10.353 0.764 15.444 1.00 19.16 C ATOM 999 CG2 VAL A 113 -12.816 1.029 15.103 1.00 19.42 C ATOM 1000 H VAL A 113 -13.069 3.362 17.439 1.00 0.00 H ATOM 1001 N THR A 114 -9.752 1.634 18.684 1.00 17.99 N ATOM 1002 CA THR A 114 -8.530 2.246 19.199 1.00 16.47 C ATOM 1003 C THR A 114 -7.455 2.022 18.158 1.00 16.25 C ATOM 1004 O THR A 114 -7.256 0.890 17.704 1.00 18.21 O ATOM 1005 CB THR A 114 -8.108 1.646 20.552 1.00 18.94 C ATOM 1006 OG1 THR A 114 -9.201 1.750 21.468 1.00 19.27 O ATOM 1007 CG2 THR A 114 -6.907 2.396 21.129 1.00 20.64 C ATOM 1008 HG1 THR A 114 -9.979 1.253 21.110 1.00 0.00 H ATOM 1009 H THR A 114 -9.957 0.634 18.882 1.00 0.00 H ATOM 1010 N VAL A 115 -6.801 3.103 17.747 1.00 17.35 N ATOM 1011 CA VAL A 115 -5.774 3.050 16.703 1.00 17.31 C ATOM 1012 C VAL A 115 -4.477 3.658 17.213 1.00 17.50 C ATOM 1013 O VAL A 115 -4.469 4.416 18.191 1.00 18.64 O ATOM 1014 CB VAL A 115 -6.211 3.795 15.416 1.00 18.27 C ATOM 1015 CG1 VAL A 115 -7.475 3.173 14.854 1.00 20.59 C ATOM 1016 CG2 VAL A 115 -6.401 5.288 15.699 1.00 20.40 C ATOM 1017 H VAL A 115 -7.026 4.020 18.182 1.00 0.00 H ATOM 1018 N ASP A 116 -3.380 3.329 16.543 1.00 18.69 N ATOM 1019 CA ASP A 116 -2.075 3.813 16.952 1.00 20.34 C ATOM 1020 C ASP A 116 -1.381 4.406 15.729 1.00 20.30 C ATOM 1021 O ASP A 116 -1.122 3.696 14.752 1.00 22.51 O ATOM 1022 CB ASP A 116 -1.262 2.655 17.551 1.00 21.45 C ATOM 1023 CG ASP A 116 -0.025 3.118 18.301 1.00 22.83 C ATOM 1024 OD1 ASP A 116 0.387 4.289 18.136 1.00 22.06 O ATOM 1025 OD2 ASP A 116 0.548 2.294 19.058 1.00 26.06 O ATOM 1026 H ASP A 116 -3.457 2.713 15.709 1.00 0.00 H ATOM 1027 N PHE A 117 -1.104 5.707 15.778 1.00 20.31 N ATOM 1028 CA PHE A 117 -0.405 6.405 14.693 1.00 21.48 C ATOM 1029 C PHE A 117 1.120 6.325 14.825 1.00 22.87 C ATOM 1030 O PHE A 117 1.848 6.780 13.944 1.00 25.77 O ATOM 1031 CB PHE A 117 -0.836 7.871 14.638 1.00 22.37 C ATOM 1032 CG PHE A 117 -2.238 8.076 14.124 1.00 23.15 C ATOM 1033 CD1 PHE A 117 -2.482 8.209 12.766 1.00 24.60 C ATOM 1034 CD2 PHE A 117 -3.306 8.153 15.001 1.00 25.47 C ATOM 1035 CE1 PHE A 117 -3.775 8.406 12.291 1.00 26.28 C ATOM 1036 CE2 PHE A 117 -4.600 8.347 14.536 1.00 24.72 C ATOM 1037 CZ PHE A 117 -4.835 8.473 13.177 1.00 25.66 C ATOM 1038 H PHE A 117 -1.394 6.249 16.617 1.00 0.00 H ATOM 1039 N ASN A 118 1.610 5.767 15.926 1.00 22.59 N ATOM 1040 CA ASN A 118 3.049 5.565 16.076 1.00 21.60 C ATOM 1041 C ASN A 118 3.583 4.594 15.039 1.00 22.09 C ATOM 1042 O ASN A 118 2.849 3.740 14.537 1.00 25.34 O ATOM 1043 CB ASN A 118 3.372 4.996 17.459 1.00 21.77 C ATOM 1044 CG ASN A 118 3.338 6.039 18.552 1.00 22.20 C ATOM 1045 OD1 ASN A 118 4.301 6.783 18.740 1.00 24.74 O ATOM 1046 ND2 ASN A 118 2.248 6.080 19.298 1.00 23.64 N ATOM 1047 HD22 ASN A 118 1.459 5.432 19.102 1.00 0.00 H ATOM 1048 HD21 ASN A 118 2.179 6.761 20.081 1.00 0.00 H ATOM 1049 H ASN A 118 0.965 5.472 16.687 1.00 0.00 H ATOM 1050 N HIS A 119 4.870 4.702 14.731 1.00 24.58 N ATOM 1051 CA HIS A 119 5.518 3.655 13.955 1.00 24.85 C ATOM 1052 C HIS A 119 5.353 2.325 14.694 1.00 26.55 C ATOM 1053 O HIS A 119 5.427 2.291 15.912 1.00 27.55 O ATOM 1054 CB HIS A 119 7.000 3.970 13.762 1.00 27.48 C ATOM 1055 CG HIS A 119 7.702 3.010 12.851 1.00 25.75 C ATOM 1056 ND1 HIS A 119 8.095 1.753 13.257 1.00 27.73 N ATOM 1057 CD2 HIS A 119 8.059 3.116 11.550 1.00 28.74 C ATOM 1058 CE1 HIS A 119 8.682 1.133 12.247 1.00 32.22 C ATOM 1059 NE2 HIS A 119 8.666 1.936 11.199 1.00 31.38 N ATOM 1060 H HIS A 119 5.413 5.532 15.043 1.00 0.00 H ATOM 1061 N PRO A 120 5.130 1.224 13.958 1.00 27.33 N ATOM 1062 CA PRO A 120 4.909 -0.083 14.599 1.00 30.20 C ATOM 1063 C PRO A 120 6.022 -0.543 15.548 1.00 29.12 C ATOM 1064 O PRO A 120 5.754 -1.328 16.461 1.00 31.69 O ATOM 1065 CB PRO A 120 4.798 -1.032 13.405 1.00 33.82 C ATOM 1066 CG PRO A 120 4.239 -0.175 12.324 1.00 34.63 C ATOM 1067 CD PRO A 120 4.894 1.165 12.504 1.00 32.11 C ATOM 1068 N LEU A 121 7.244 -0.062 15.345 1.00 25.14 N ATOM 1069 CA LEU A 121 8.350 -0.426 16.222 1.00 24.16 C ATOM 1070 C LEU A 121 8.753 0.693 17.176 1.00 23.00 C ATOM 1071 O LEU A 121 9.783 0.592 17.837 1.00 24.29 O ATOM 1072 CB LEU A 121 9.563 -0.851 15.398 1.00 25.04 C ATOM 1073 CG LEU A 121 9.330 -2.070 14.516 1.00 29.47 C ATOM 1074 CD1 LEU A 121 10.603 -2.447 13.784 1.00 31.53 C ATOM 1075 CD2 LEU A 121 8.822 -3.225 15.357 1.00 33.29 C ATOM 1076 H LEU A 121 7.414 0.584 14.548 1.00 0.00 H ATOM 1077 N ALA A 122 7.955 1.756 17.253 1.00 22.52 N ATOM 1078 CA ALA A 122 8.237 2.828 18.207 1.00 22.05 C ATOM 1079 C ALA A 122 8.309 2.260 19.617 1.00 22.97 C ATOM 1080 O ALA A 122 7.486 1.428 20.004 1.00 25.06 O ATOM 1081 CB ALA A 122 7.183 3.923 18.128 1.00 25.18 C ATOM 1082 H ALA A 122 7.125 1.825 16.630 1.00 0.00 H ATOM 1083 N GLY A 123 9.314 2.693 20.373 1.00 23.43 N ATOM 1084 CA GLY A 123 9.486 2.254 21.745 1.00 23.56 C ATOM 1085 C GLY A 123 10.165 0.904 21.912 1.00 23.78 C ATOM 1086 O GLY A 123 10.417 0.479 23.040 1.00 29.66 O ATOM 1087 H GLY A 123 9.996 3.366 19.969 1.00 0.00 H ATOM 1088 N LYS A 124 10.479 0.237 20.805 1.00 24.91 N ATOM 1089 CA LYS A 124 11.109 -1.080 20.852 1.00 25.13 C ATOM 1090 C LYS A 124 12.616 -0.999 20.666 1.00 25.43 C ATOM 1091 O LYS A 124 13.107 -0.249 19.824 1.00 25.43 O ATOM 1092 CB LYS A 124 10.525 -1.993 19.768 1.00 27.13 C ATOM 1093 CG LYS A 124 9.013 -2.145 19.826 1.00 29.37 C ATOM 1094 CD LYS A 124 8.578 -2.942 21.042 1.00 33.07 C ATOM 1095 CE LYS A 124 7.086 -3.239 20.996 1.00 37.03 C ATOM 1096 NZ LYS A 124 6.653 -4.053 22.161 1.00 42.62 N ATOM 1097 HZ1 LYS A 124 7.168 -4.957 22.162 1.00 0.00 H ATOM 1098 HZ2 LYS A 124 6.858 -3.535 23.039 1.00 0.00 H ATOM 1099 HZ3 LYS A 124 5.631 -4.235 22.095 1.00 0.00 H ATOM 1100 H LYS A 124 10.270 0.665 19.880 1.00 0.00 H ATOM 1101 N ASP A 125 13.348 -1.783 21.448 1.00 25.70 N ATOM 1102 CA ASP A 125 14.782 -1.913 21.231 1.00 26.30 C ATOM 1103 C ASP A 125 14.968 -3.024 20.203 1.00 25.96 C ATOM 1104 O ASP A 125 14.268 -4.032 20.254 1.00 29.71 O ATOM 1105 CB ASP A 125 15.505 -2.273 22.531 1.00 28.14 C ATOM 1106 CG ASP A 125 15.385 -1.191 23.595 1.00 31.48 C ATOM 1107 OD1 ASP A 125 15.148 -0.018 23.245 1.00 33.06 O ATOM 1108 OD2 ASP A 125 15.529 -1.519 24.794 1.00 37.48 O ATOM 1109 H ASP A 125 12.894 -2.309 22.222 1.00 0.00 H ATOM 1110 N LEU A 126 15.902 -2.846 19.272 1.00 23.43 N ATOM 1111 CA LEU A 126 16.069 -3.792 18.170 1.00 23.99 C ATOM 1112 C LEU A 126 17.375 -4.557 18.284 1.00 24.36 C ATOM 1113 O LEU A 126 18.428 -3.973 18.545 1.00 29.56 O ATOM 1114 CB LEU A 126 16.049 -3.057 16.831 1.00 23.76 C ATOM 1115 CG LEU A 126 14.895 -2.082 16.580 1.00 28.88 C ATOM 1116 CD1 LEU A 126 14.878 -1.640 15.116 1.00 29.00 C ATOM 1117 CD2 LEU A 126 13.552 -2.649 16.988 1.00 28.72 C ATOM 1118 H LEU A 126 16.526 -2.016 19.330 1.00 0.00 H ATOM 1119 N ASP A 127 17.309 -5.863 18.067 1.00 22.59 N ATOM 1120 CA ASP A 127 18.513 -6.685 18.089 1.00 23.05 C ATOM 1121 C ASP A 127 18.808 -7.242 16.714 1.00 23.33 C ATOM 1122 O ASP A 127 18.014 -8.001 16.164 1.00 25.52 O ATOM 1123 CB ASP A 127 18.373 -7.813 19.103 1.00 27.73 C ATOM 1124 CG ASP A 127 18.356 -7.308 20.522 1.00 35.30 C ATOM 1125 OD1 ASP A 127 19.362 -6.691 20.935 1.00 38.55 O ATOM 1126 OD2 ASP A 127 17.342 -7.523 21.219 1.00 40.28 O ATOM 1127 H ASP A 127 16.387 -6.307 17.879 1.00 0.00 H ATOM 1128 N PHE A 128 19.954 -6.854 16.162 1.00 21.56 N ATOM 1129 CA PHE A 128 20.364 -7.292 14.836 1.00 20.59 C ATOM 1130 C PHE A 128 21.525 -8.274 14.884 1.00 20.74 C ATOM 1131 O PHE A 128 22.465 -8.109 15.668 1.00 22.85 O ATOM 1132 CB PHE A 128 20.829 -6.099 14.012 1.00 21.58 C ATOM 1133 CG PHE A 128 19.736 -5.165 13.609 1.00 20.76 C ATOM 1134 CD1 PHE A 128 19.036 -5.369 12.428 1.00 22.00 C ATOM 1135 CD2 PHE A 128 19.430 -4.056 14.385 1.00 22.54 C ATOM 1136 CE1 PHE A 128 18.034 -4.498 12.042 1.00 23.25 C ATOM 1137 CE2 PHE A 128 18.429 -3.181 14.005 1.00 23.80 C ATOM 1138 CZ PHE A 128 17.733 -3.397 12.823 1.00 24.14 C ATOM 1139 H PHE A 128 20.578 -6.216 16.696 1.00 0.00 H ATOM 1140 N GLN A 129 21.456 -9.292 14.034 1.00 20.38 N ATOM 1141 CA GLN A 129 22.639 -10.028 13.610 1.00 21.05 C ATOM 1142 C GLN A 129 22.904 -9.534 12.212 1.00 19.93 C ATOM 1143 O GLN A 129 21.979 -9.455 11.409 1.00 20.29 O ATOM 1144 CB GLN A 129 22.361 -11.528 13.559 1.00 25.34 C ATOM 1145 CG GLN A 129 22.201 -12.171 14.913 1.00 30.81 C ATOM 1146 CD GLN A 129 23.536 -12.517 15.543 1.00 38.10 C ATOM 1147 OE1 GLN A 129 24.598 -12.343 14.930 1.00 39.58 O ATOM 1148 NE2 GLN A 129 23.491 -13.019 16.766 1.00 44.99 N ATOM 1149 HE22 GLN A 129 22.575 -13.147 17.242 1.00 0.00 H ATOM 1150 HE21 GLN A 129 24.371 -13.285 17.251 1.00 0.00 H ATOM 1151 H GLN A 129 20.527 -9.573 13.659 1.00 0.00 H ATOM 1152 N VAL A 130 24.153 -9.211 11.903 1.00 19.03 N ATOM 1153 CA VAL A 130 24.499 -8.635 10.608 1.00 18.71 C ATOM 1154 C VAL A 130 25.700 -9.358 10.013 1.00 18.17 C ATOM 1155 O VAL A 130 26.634 -9.720 10.738 1.00 18.53 O ATOM 1156 CB VAL A 130 24.842 -7.126 10.733 1.00 19.08 C ATOM 1157 CG1 VAL A 130 25.121 -6.523 9.371 1.00 21.36 C ATOM 1158 CG2 VAL A 130 23.708 -6.365 11.411 1.00 21.93 C ATOM 1159 H VAL A 130 24.905 -9.373 12.602 1.00 0.00 H ATOM 1160 N GLU A 131 25.684 -9.555 8.696 1.00 17.72 N ATOM 1161 CA GLU A 131 26.859 -9.991 7.954 1.00 18.32 C ATOM 1162 C GLU A 131 27.135 -8.961 6.871 1.00 18.77 C ATOM 1163 O GLU A 131 26.252 -8.659 6.063 1.00 19.43 O ATOM 1164 CB GLU A 131 26.634 -11.364 7.320 1.00 19.22 C ATOM 1165 CG GLU A 131 26.487 -12.474 8.346 1.00 19.94 C ATOM 1166 CD GLU A 131 26.639 -13.868 7.767 1.00 23.73 C ATOM 1167 OE1 GLU A 131 26.856 -14.011 6.545 1.00 23.44 O ATOM 1168 OE2 GLU A 131 26.536 -14.837 8.551 1.00 24.32 O ATOM 1169 H GLU A 131 24.798 -9.391 8.177 1.00 0.00 H ATOM 1170 N VAL A 132 28.339 -8.399 6.848 1.00 19.39 N ATOM 1171 CA VAL A 132 28.711 -7.462 5.795 1.00 19.77 C ATOM 1172 C VAL A 132 29.248 -8.261 4.618 1.00 18.96 C ATOM 1173 O VAL A 132 30.263 -8.947 4.733 1.00 22.02 O ATOM 1174 CB VAL A 132 29.756 -6.443 6.282 1.00 19.53 C ATOM 1175 CG1 VAL A 132 30.082 -5.453 5.162 1.00 22.83 C ATOM 1176 CG2 VAL A 132 29.215 -5.717 7.498 1.00 22.79 C ATOM 1177 H VAL A 132 29.027 -8.631 7.593 1.00 0.00 H ATOM 1178 N VAL A 133 28.545 -8.191 3.494 1.00 21.01 N ATOM 1179 CA VAL A 133 28.817 -9.071 2.360 1.00 23.43 C ATOM 1180 C VAL A 133 29.695 -8.415 1.305 1.00 23.22 C ATOM 1181 O VAL A 133 30.661 -9.009 0.822 1.00 27.96 O ATOM 1182 CB VAL A 133 27.506 -9.543 1.711 1.00 24.05 C ATOM 1183 CG1 VAL A 133 27.786 -10.527 0.580 1.00 29.33 C ATOM 1184 CG2 VAL A 133 26.605 -10.163 2.765 1.00 25.81 C ATOM 1185 H VAL A 133 27.780 -7.491 3.419 1.00 0.00 H ATOM 1186 N LYS A 134 29.364 -7.178 0.958 1.00 22.58 N ATOM 1187 CA LYS A 134 30.072 -6.472 -0.098 1.00 23.89 C ATOM 1188 C LYS A 134 30.066 -4.979 0.183 1.00 22.26 C ATOM 1189 O LYS A 134 29.095 -4.435 0.726 1.00 22.85 O ATOM 1190 CB LYS A 134 29.409 -6.763 -1.446 1.00 27.49 C ATOM 1191 CG LYS A 134 30.113 -6.161 -2.648 1.00 33.85 C ATOM 1192 CD LYS A 134 29.343 -6.457 -3.926 1.00 40.35 C ATOM 1193 CE LYS A 134 29.977 -5.778 -5.130 1.00 46.44 C ATOM 1194 NZ LYS A 134 29.132 -5.945 -6.345 1.00 46.98 N ATOM 1195 HZ1 LYS A 134 29.022 -6.958 -6.553 1.00 0.00 H ATOM 1196 HZ2 LYS A 134 28.197 -5.521 -6.177 1.00 0.00 H ATOM 1197 HZ3 LYS A 134 29.588 -5.472 -7.151 1.00 0.00 H ATOM 1198 H LYS A 134 28.582 -6.703 1.452 1.00 0.00 H ATOM 1199 N VAL A 135 31.163 -4.320 -0.165 1.00 23.94 N ATOM 1200 CA VAL A 135 31.249 -2.870 -0.088 1.00 23.69 C ATOM 1201 C VAL A 135 31.819 -2.363 -1.408 1.00 26.35 C ATOM 1202 O VAL A 135 32.870 -2.823 -1.847 1.00 29.67 O ATOM 1203 CB VAL A 135 32.160 -2.422 1.081 1.00 25.69 C ATOM 1204 CG1 VAL A 135 32.230 -0.904 1.153 1.00 28.62 C ATOM 1205 CG2 VAL A 135 31.665 -2.990 2.395 1.00 27.21 C ATOM 1206 H VAL A 135 31.987 -4.856 -0.503 1.00 0.00 H ATOM 1207 N ARG A 136 31.117 -1.438 -2.057 1.00 25.09 N ATOM 1208 CA ARG A 136 31.614 -0.851 -3.298 1.00 26.43 C ATOM 1209 C ARG A 136 31.331 0.643 -3.326 1.00 25.39 C ATOM 1210 O ARG A 136 30.546 1.142 -2.522 1.00 26.16 O ATOM 1211 CB ARG A 136 30.981 -1.522 -4.521 1.00 27.53 C ATOM 1212 CG ARG A 136 29.494 -1.250 -4.668 1.00 25.85 C ATOM 1213 CD ARG A 136 28.976 -1.624 -6.051 1.00 27.18 C ATOM 1214 NE ARG A 136 27.515 -1.607 -6.099 1.00 26.58 N ATOM 1215 CZ ARG A 136 26.775 -0.512 -6.271 1.00 25.20 C ATOM 1216 NH1 ARG A 136 27.352 0.674 -6.421 1.00 24.33 N ATOM 1217 NH2 ARG A 136 25.452 -0.604 -6.301 1.00 25.34 N ATOM 1218 HE ARG A 136 27.018 -2.514 -5.991 1.00 0.00 H ATOM 1219 HH12 ARG A 136 26.767 1.524 -6.555 1.00 0.00 H ATOM 1220 HH11 ARG A 136 28.389 0.754 -6.405 1.00 0.00 H ATOM 1221 HH22 ARG A 136 24.874 0.250 -6.435 1.00 0.00 H ATOM 1222 HH21 ARG A 136 24.993 -1.530 -6.190 1.00 0.00 H ATOM 1223 H ARG A 136 30.201 -1.128 -1.675 1.00 0.00 H ATOM 1224 N GLU A 137 31.973 1.356 -4.246 1.00 29.05 N ATOM 1225 CA GLU A 137 31.683 2.773 -4.423 1.00 28.71 C ATOM 1226 C GLU A 137 30.314 2.962 -5.060 1.00 27.49 C ATOM 1227 O GLU A 137 29.896 2.165 -5.897 1.00 28.32 O ATOM 1228 CB GLU A 137 32.745 3.443 -5.294 1.00 32.69 C ATOM 1229 CG GLU A 137 34.093 3.624 -4.616 1.00 38.15 C ATOM 1230 CD GLU A 137 34.053 4.603 -3.452 1.00 44.16 C ATOM 1231 OE1 GLU A 137 33.049 5.337 -3.307 1.00 47.99 O ATOM 1232 OE2 GLU A 137 35.035 4.635 -2.679 1.00 49.46 O ATOM 1233 H GLU A 137 32.689 0.898 -4.845 1.00 0.00 H ATOM 1234 N ALA A 138 29.618 4.016 -4.651 1.00 25.98 N ATOM 1235 CA ALA A 138 28.366 4.399 -5.292 1.00 24.75 C ATOM 1236 C ALA A 138 28.628 4.946 -6.693 1.00 27.85 C ATOM 1237 O ALA A 138 29.661 5.572 -6.941 1.00 31.65 O ATOM 1238 CB ALA A 138 27.652 5.443 -4.460 1.00 26.49 C ATOM 1239 H ALA A 138 29.974 4.582 -3.854 1.00 0.00 H ATOM 1240 N THR A 139 27.689 4.712 -7.604 1.00 26.26 N ATOM 1241 CA THR A 139 27.737 5.316 -8.930 1.00 26.85 C ATOM 1242 C THR A 139 27.190 6.742 -8.865 1.00 24.99 C ATOM 1243 O THR A 139 26.524 7.104 -7.899 1.00 24.01 O ATOM 1244 CB THR A 139 26.868 4.541 -9.921 1.00 26.39 C ATOM 1245 OG1 THR A 139 25.495 4.673 -9.540 1.00 26.82 O ATOM 1246 CG2 THR A 139 27.258 3.075 -9.968 1.00 29.09 C ATOM 1247 HG1 THR A 139 24.927 4.173 -10.178 1.00 0.00 H ATOM 1248 H THR A 139 26.898 4.081 -7.364 1.00 0.00 H ATOM 1249 N PRO A 140 27.478 7.566 -9.887 1.00 25.60 N ATOM 1250 CA PRO A 140 26.876 8.903 -9.896 1.00 25.74 C ATOM 1251 C PRO A 140 25.351 8.865 -9.835 1.00 23.27 C ATOM 1252 O PRO A 140 24.757 9.717 -9.177 1.00 24.67 O ATOM 1253 CB PRO A 140 27.339 9.479 -11.230 1.00 26.52 C ATOM 1254 CG PRO A 140 28.676 8.836 -11.440 1.00 29.79 C ATOM 1255 CD PRO A 140 28.509 7.425 -10.930 1.00 28.93 C ATOM 1256 N GLU A 141 24.726 7.893 -10.495 1.00 22.54 N ATOM 1257 CA GLU A 141 23.268 7.813 -10.471 1.00 22.21 C ATOM 1258 C GLU A 141 22.751 7.536 -9.063 1.00 20.75 C ATOM 1259 O GLU A 141 21.729 8.087 -8.655 1.00 20.93 O ATOM 1260 CB GLU A 141 22.741 6.755 -11.451 1.00 24.57 C ATOM 1261 CG GLU A 141 22.747 7.198 -12.916 1.00 30.72 C ATOM 1262 CD GLU A 141 21.655 8.209 -13.241 1.00 45.69 C ATOM 1263 OE1 GLU A 141 20.474 7.930 -12.937 1.00 49.83 O ATOM 1264 OE2 GLU A 141 21.976 9.279 -13.809 1.00 52.24 O ATOM 1265 H GLU A 141 25.276 7.190 -11.028 1.00 0.00 H ATOM 1266 N GLU A 142 23.456 6.683 -8.322 1.00 21.46 N ATOM 1267 CA GLU A 142 23.070 6.390 -6.941 1.00 21.42 C ATOM 1268 C GLU A 142 23.192 7.622 -6.043 1.00 20.74 C ATOM 1269 O GLU A 142 22.317 7.888 -5.220 1.00 22.04 O ATOM 1270 CB GLU A 142 23.877 5.215 -6.387 1.00 22.89 C ATOM 1271 CG GLU A 142 23.423 3.893 -6.979 1.00 22.87 C ATOM 1272 CD GLU A 142 24.340 2.728 -6.660 1.00 23.24 C ATOM 1273 OE1 GLU A 142 25.579 2.908 -6.646 1.00 24.78 O ATOM 1274 OE2 GLU A 142 23.814 1.619 -6.436 1.00 24.25 O ATOM 1275 H GLU A 142 24.292 6.219 -8.730 1.00 0.00 H ATOM 1276 N LEU A 143 24.271 8.380 -6.206 1.00 21.52 N ATOM 1277 CA LEU A 143 24.439 9.609 -5.442 1.00 23.24 C ATOM 1278 C LEU A 143 23.362 10.635 -5.808 1.00 22.46 C ATOM 1279 O LEU A 143 22.817 11.311 -4.936 1.00 24.90 O ATOM 1280 CB LEU A 143 25.834 10.186 -5.657 1.00 23.86 C ATOM 1281 CG LEU A 143 26.947 9.314 -5.081 1.00 26.09 C ATOM 1282 CD1 LEU A 143 28.295 9.903 -5.426 1.00 32.78 C ATOM 1283 CD2 LEU A 143 26.789 9.164 -3.572 1.00 27.25 C ATOM 1284 H LEU A 143 25.003 8.093 -6.886 1.00 0.00 H ATOM 1285 N LEU A 144 23.033 10.719 -7.094 1.00 20.95 N ATOM 1286 CA LEU A 144 22.013 11.644 -7.569 1.00 19.95 C ATOM 1287 C LEU A 144 20.651 11.323 -6.967 1.00 19.49 C ATOM 1288 O LEU A 144 19.906 12.224 -6.593 1.00 20.26 O ATOM 1289 CB LEU A 144 21.932 11.585 -9.095 1.00 19.96 C ATOM 1290 CG LEU A 144 20.829 12.437 -9.733 1.00 20.26 C ATOM 1291 CD1 LEU A 144 21.070 13.929 -9.501 1.00 21.42 C ATOM 1292 CD2 LEU A 144 20.700 12.137 -11.221 1.00 22.35 C ATOM 1293 H LEU A 144 23.518 10.106 -7.780 1.00 0.00 H ATOM 1294 N HIS A 145 20.329 10.037 -6.877 1.00 18.57 N ATOM 1295 CA HIS A 145 19.040 9.606 -6.340 1.00 19.24 C ATOM 1296 C HIS A 145 19.003 9.474 -4.823 1.00 18.68 C ATOM 1297 O HIS A 145 17.928 9.423 -4.233 1.00 19.56 O ATOM 1298 CB HIS A 145 18.588 8.312 -7.025 1.00 18.97 C ATOM 1299 CG HIS A 145 18.093 8.537 -8.419 1.00 17.99 C ATOM 1300 ND1 HIS A 145 16.758 8.712 -8.710 1.00 19.12 N ATOM 1301 CD2 HIS A 145 18.760 8.689 -9.585 1.00 19.76 C ATOM 1302 CE1 HIS A 145 16.620 8.931 -10.008 1.00 20.37 C ATOM 1303 NE2 HIS A 145 17.818 8.933 -10.561 1.00 20.82 N ATOM 1304 H HIS A 145 21.011 9.320 -7.197 1.00 0.00 H ATOM 1305 N GLY A 146 20.175 9.437 -4.198 1.00 18.96 N ATOM 1306 CA GLY A 146 20.277 9.327 -2.752 1.00 19.98 C ATOM 1307 C GLY A 146 20.076 7.929 -2.188 1.00 19.62 C ATOM 1308 O GLY A 146 19.895 7.778 -0.981 1.00 21.88 O ATOM 1309 H GLY A 146 21.048 9.488 -4.762 1.00 0.00 H ATOM 1310 N HIS A 147 20.104 6.903 -3.037 1.00 19.00 N ATOM 1311 CA HIS A 147 19.925 5.535 -2.563 1.00 18.84 C ATOM 1312 C HIS A 147 20.525 4.544 -3.552 1.00 19.83 C ATOM 1313 O HIS A 147 20.785 4.884 -4.712 1.00 19.49 O ATOM 1314 CB HIS A 147 18.441 5.226 -2.324 1.00 19.27 C ATOM 1315 CG HIS A 147 17.622 5.225 -3.578 1.00 18.71 C ATOM 1316 ND1 HIS A 147 17.563 4.136 -4.424 1.00 20.96 N ATOM 1317 CD2 HIS A 147 16.849 6.185 -4.140 1.00 19.31 C ATOM 1318 CE1 HIS A 147 16.796 4.433 -5.461 1.00 20.09 C ATOM 1319 NE2 HIS A 147 16.348 5.666 -5.311 1.00 19.67 N ATOM 1320 H HIS A 147 20.255 7.079 -4.051 1.00 0.00 H ATOM 1321 N ALA A 148 20.734 3.315 -3.100 1.00 20.58 N ATOM 1322 CA ALA A 148 21.295 2.268 -3.950 1.00 21.08 C ATOM 1323 C ALA A 148 20.355 1.872 -5.092 1.00 19.12 C ATOM 1324 O ALA A 148 19.130 1.937 -4.964 1.00 21.71 O ATOM 1325 CB ALA A 148 21.660 1.041 -3.109 1.00 22.99 C ATOM 1326 H ALA A 148 20.492 3.091 -2.114 1.00 0.00 H ATOM 1327 N HIS A 149 20.954 1.461 -6.204 1.00 21.23 N ATOM 1328 CA HIS A 149 20.240 0.950 -7.372 1.00 21.47 C ATOM 1329 C HIS A 149 19.454 -0.314 -6.996 1.00 22.30 C ATOM 1330 O HIS A 149 19.916 -1.111 -6.176 1.00 25.12 O ATOM 1331 CB HIS A 149 21.286 0.622 -8.440 1.00 23.01 C ATOM 1332 CG HIS A 149 20.729 0.284 -9.788 1.00 24.05 C ATOM 1333 ND1 HIS A 149 20.219 -0.960 -10.089 1.00 26.04 N ATOM 1334 CD2 HIS A 149 20.652 1.011 -10.925 1.00 27.43 C ATOM 1335 CE1 HIS A 149 19.834 -0.979 -11.354 1.00 28.16 C ATOM 1336 NE2 HIS A 149 20.087 0.204 -11.884 1.00 28.39 N ATOM 1337 H HIS A 149 21.992 1.506 -6.246 1.00 0.00 H ATOM 1338 N PRO A 150 18.265 -0.509 -7.592 1.00 21.70 N ATOM 1339 CA PRO A 150 17.485 -1.727 -7.333 1.00 24.92 C ATOM 1340 C PRO A 150 18.335 -2.973 -7.510 1.00 30.90 C ATOM 1341 O PRO A 150 19.123 -3.055 -8.462 1.00 29.95 O ATOM 1342 CB PRO A 150 16.405 -1.680 -8.428 1.00 27.96 C ATOM 1343 CG PRO A 150 16.201 -0.247 -8.673 1.00 24.74 C ATOM 1344 CD PRO A 150 17.542 0.432 -8.464 1.00 22.41 C ATOM 1345 N SER A 151 18.189 -3.922 -6.591 1.00 33.19 N ATOM 1346 CA SER A 151 18.904 -5.186 -6.680 1.00 40.81 C ATOM 1347 C SER A 151 18.011 -6.348 -6.267 1.00 43.96 C ATOM 1348 O SER A 151 18.501 -7.400 -5.856 1.00 48.67 O ATOM 1349 CB SER A 151 20.158 -5.149 -5.812 1.00 46.89 C ATOM 1350 OG SER A 151 19.831 -4.810 -4.477 1.00 50.95 O ATOM 1351 HG SER A 151 19.206 -5.485 -4.110 1.00 0.00 H ATOM 1352 H SER A 151 17.548 -3.757 -5.789 1.00 0.00 H ATOM 1353 N GLY A 152 16.698 -6.150 -6.373 1.00 42.82 N ATOM 1354 CA GLY A 152 15.737 -7.195 -6.058 1.00 43.66 C ATOM 1355 C GLY A 152 15.233 -7.165 -4.625 1.00 43.17 C ATOM 1356 O GLY A 152 15.868 -6.583 -3.742 1.00 44.86 O ATOM 1357 H GLY A 152 16.351 -5.222 -6.690 1.00 0.00 H ATOM 1358 N HIS A 153 14.086 -7.797 -4.393 1.00 42.61 N ATOM 1359 CA HIS A 153 13.522 -7.890 -3.051 1.00 42.79 C ATOM 1360 C HIS A 153 13.965 -9.186 -2.390 1.00 42.75 C ATOM 1361 O HIS A 153 13.423 -10.256 -2.678 1.00 45.82 O ATOM 1362 CB HIS A 153 11.996 -7.829 -3.097 1.00 46.90 C ATOM 1363 CG HIS A 153 11.365 -7.595 -1.760 1.00 51.56 C ATOM 1364 ND1 HIS A 153 11.306 -6.348 -1.174 1.00 54.10 N ATOM 1365 CD2 HIS A 153 10.773 -8.447 -0.890 1.00 55.77 C ATOM 1366 CE1 HIS A 153 10.701 -6.442 -0.003 1.00 55.44 C ATOM 1367 NE2 HIS A 153 10.368 -7.705 0.193 1.00 57.12 N ATOM 1368 H HIS A 153 13.579 -8.236 -5.188 1.00 0.00 H ATOM 1369 N HIS A 154 14.941 -9.085 -1.495 1.00 42.40 N ATOM 1370 CA HIS A 154 15.570 -10.269 -0.932 1.00 43.69 C ATOM 1371 C HIS A 154 15.531 -10.298 0.592 1.00 44.57 C ATOM 1372 O HIS A 154 16.316 -10.996 1.232 1.00 43.42 O ATOM 1373 CB HIS A 154 17.000 -10.399 -1.458 1.00 46.19 C ATOM 1374 CG HIS A 154 17.076 -10.462 -2.953 1.00 46.16 C ATOM 1375 ND1 HIS A 154 16.316 -11.339 -3.697 1.00 52.87 N ATOM 1376 CD2 HIS A 154 17.808 -9.750 -3.843 1.00 49.38 C ATOM 1377 CE1 HIS A 154 16.578 -11.168 -4.980 1.00 51.26 C ATOM 1378 NE2 HIS A 154 17.482 -10.211 -5.097 1.00 51.01 N ATOM 1379 H HIS A 154 15.261 -8.143 -1.192 1.00 0.00 H ATOM 1380 N HIS A 155 14.604 -9.541 1.166 1.00 45.11 N ATOM 1381 CA HIS A 155 14.337 -9.624 2.594 1.00 44.95 C ATOM 1382 C HIS A 155 12.827 -9.679 2.809 1.00 49.08 C ATOM 1383 O HIS A 155 12.062 -9.226 1.958 1.00 50.53 O ATOM 1384 CB HIS A 155 14.973 -8.448 3.343 1.00 42.80 C ATOM 1385 CG HIS A 155 14.204 -7.169 3.235 1.00 42.85 C ATOM 1386 ND1 HIS A 155 14.393 -6.268 2.209 1.00 45.07 N ATOM 1387 CD2 HIS A 155 13.248 -6.636 4.034 1.00 43.80 C ATOM 1388 CE1 HIS A 155 13.582 -5.238 2.377 1.00 40.86 C ATOM 1389 NE2 HIS A 155 12.879 -5.436 3.478 1.00 44.87 N ATOM 1390 H HIS A 155 14.057 -8.875 0.583 1.00 0.00 H ATOM 1391 N HIS A 156 12.396 -10.248 3.932 1.00 45.91 N ATOM 1392 CA HIS A 156 10.965 -10.433 4.175 1.00 48.56 C ATOM 1393 C HIS A 156 10.579 -10.352 5.652 1.00 45.13 C ATOM 1394 O HIS A 156 11.344 -10.759 6.531 1.00 43.69 O ATOM 1395 CB HIS A 156 10.485 -11.758 3.569 1.00 50.60 C ATOM 1396 CG HIS A 156 11.182 -12.964 4.119 1.00 57.40 C ATOM 1397 ND1 HIS A 156 12.459 -13.323 3.743 1.00 60.89 N ATOM 1398 CD2 HIS A 156 10.777 -13.898 5.013 1.00 60.15 C ATOM 1399 CE1 HIS A 156 12.812 -14.424 4.384 1.00 58.92 C ATOM 1400 NE2 HIS A 156 11.810 -14.793 5.161 1.00 58.08 N ATOM 1401 H HIS A 156 13.084 -10.565 4.645 1.00 0.00 H TER 1402 HIS A 156 HETATM 1403 O HOH 1 22.308 5.902 4.473 1.00 25.28 O HETATM 1404 O HOH 2 26.691 -14.360 11.050 1.00 22.80 O HETATM 1405 O HOH 3 -19.715 4.525 7.461 1.00 22.22 O HETATM 1406 O HOH 4 26.030 -12.096 12.436 1.00 23.36 O HETATM 1407 O HOH 5 -9.176 9.522 21.417 1.00 28.37 O HETATM 1408 O HOH 6 -19.906 1.417 20.633 1.00 29.54 O HETATM 1409 O HOH 7 23.797 2.913 -10.434 1.00 30.21 O HETATM 1410 O HOH 8 33.081 -8.638 14.029 1.00 27.37 O HETATM 1411 O HOH 9 27.500 -3.630 -2.252 1.00 25.92 O HETATM 1412 O HOH 10 29.405 -8.477 17.649 1.00 33.75 O HETATM 1413 O HOH 11 12.476 1.339 17.588 1.00 27.96 O HETATM 1414 O HOH 12 8.694 7.264 17.333 1.00 28.30 O HETATM 1415 O HOH 13 18.537 9.549 -13.122 1.00 29.94 O HETATM 1416 O HOH 14 16.593 9.075 -1.738 1.00 32.12 O HETATM 1417 O HOH 15 25.910 12.033 -8.787 1.00 30.90 O HETATM 1418 O HOH 16 8.726 4.677 24.327 1.00 34.09 O HETATM 1419 O HOH 17 15.796 4.461 23.719 1.00 33.34 O HETATM 1420 O HOH 18 -19.027 4.291 14.022 1.00 27.11 O HETATM 1421 O HOH 19 6.060 6.776 16.406 1.00 33.49 O HETATM 1422 O HOH 20 -17.629 5.882 17.434 1.00 33.10 O HETATM 1423 O HOH 21 23.290 8.288 7.411 1.00 33.25 O HETATM 1424 O HOH 22 1.772 4.023 11.958 1.00 33.02 O HETATM 1425 O HOH 23 -5.601 9.633 23.121 1.00 36.02 O HETATM 1426 O HOH 24 11.972 -3.556 23.343 1.00 38.13 O HETATM 1427 O HOH 25 3.229 4.768 25.092 1.00 33.63 O HETATM 1428 O HOH 26 -16.661 1.266 22.629 1.00 37.12 O HETATM 1429 O HOH 27 33.551 -14.316 6.027 1.00 33.16 O HETATM 1430 O HOH 28 22.687 -14.784 0.213 1.00 35.49 O HETATM 1431 O HOH 29 18.754 -10.896 15.486 1.00 34.40 O HETATM 1432 O HOH 30 -10.656 10.735 17.461 1.00 30.24 O HETATM 1433 O HOH 31 -15.992 2.427 1.771 1.00 43.99 O HETATM 1434 O HOH 32 14.208 4.618 -2.338 1.00 39.96 O HETATM 1435 O HOH 33 20.995 -6.664 -2.155 1.00 43.86 O HETATM 1436 O HOH 34 -21.434 3.903 9.537 1.00 34.20 O HETATM 1437 O HOH 35 23.689 12.577 -2.593 1.00 36.62 O HETATM 1438 O HOH 36 -15.767 7.924 17.689 1.00 38.23 O HETATM 1439 O HOH 37 22.629 -2.170 -5.780 1.00 43.23 O HETATM 1440 O HOH 38 5.532 -0.283 19.217 1.00 41.42 O HETATM 1441 O HOH 39 -16.324 -5.210 14.204 1.00 46.00 O HETATM 1442 O HOH 40 -8.443 11.836 20.606 1.00 44.89 O HETATM 1443 O HOH 41 -3.229 -4.433 7.081 1.00 47.49 O HETATM 1444 O HOH 42 19.783 -15.620 12.756 1.00 39.18 O HETATM 1445 O HOH 43 33.989 0.152 -5.963 1.00 43.20 O HETATM 1446 O HOH 44 25.383 -3.274 20.215 1.00 40.86 O HETATM 1447 O HOH 45 16.427 -6.559 -0.448 1.00 39.40 O HETATM 1448 O HOH 46 14.754 -6.473 21.602 1.00 39.54 O HETATM 1449 O HOH 47 1.294 7.805 11.413 1.00 38.71 O HETATM 1450 O HOH 48 -17.586 -3.763 16.073 1.00 36.22 O HETATM 1451 O HOH 49 1.484 1.414 14.921 1.00 42.75 O HETATM 1452 O HOH 50 23.935 7.155 11.982 1.00 42.54 O HETATM 1453 O HOH 51 24.724 1.487 17.290 1.00 39.20 O HETATM 1454 O HOH 52 -0.313 -2.153 20.278 1.00 48.43 O HETATM 1455 O HOH 53 29.824 4.694 14.291 1.00 42.57 O HETATM 1456 O HOH 54 32.507 7.334 6.639 1.00 42.37 O HETATM 1457 O HOH 55 -0.564 0.365 20.617 1.00 37.07 O HETATM 1458 O HOH 56 32.995 6.413 -0.842 1.00 45.59 O HETATM 1459 O HOH 57 18.920 -13.008 6.687 1.00 29.80 O HETATM 1460 O HOH 58 31.987 -8.180 16.730 1.00 48.15 O HETATM 1461 O HOH 59 -16.280 -4.244 11.319 1.00 50.52 O HETATM 1462 O HOH 60 1.399 0.006 17.114 1.00 45.52 O HETATM 1463 O HOH 61 0.733 1.558 11.120 1.00 41.21 O HETATM 1464 O HOH 62 -6.015 -3.106 6.028 1.00 44.98 O HETATM 1465 O HOH 63 -16.901 -5.234 18.834 1.00 48.67 O HETATM 1466 O HOH 64 36.381 -10.188 7.054 1.00 45.04 O HETATM 1467 O HOH 65 28.202 -14.358 0.517 1.00 48.29 O HETATM 1468 O HOH 66 -8.981 -4.718 5.053 1.00 48.78 O HETATM 1469 O HOH 67 14.937 1.973 24.892 1.00 42.00 O HETATM 1470 O HOH 68 11.376 4.502 24.147 1.00 43.45 O HETATM 1471 O HOH 69 -3.118 8.698 25.071 1.00 49.15 O HETATM 1472 O HOH 70 20.063 -10.941 17.970 1.00 49.52 O HETATM 1473 O HOH 71 14.609 9.101 18.992 1.00 48.49 O HETATM 1474 O HOH 72 23.667 2.461 21.513 1.00 47.75 O HETATM 1475 O HOH 73 -3.652 -5.101 19.483 1.00 43.10 O HETATM 1476 O HOH 74 -7.298 -5.868 20.859 1.00 44.92 O HETATM 1477 O HOH 75 -8.164 11.228 16.303 1.00 40.09 O HETATM 1478 O HOH 76 -10.201 -5.618 20.195 1.00 42.91 O HETATM 1479 O HOH 77 15.252 6.812 -0.947 1.00 49.90 O HETATM 1480 O HOH 78 15.793 -9.924 21.065 1.00 48.81 O HETATM 1481 O HOH 79 25.942 -17.589 -0.612 1.00 52.20 O HETATM 1482 O HOH 80 31.715 -11.410 1.547 1.00 43.09 O HETATM 1483 O HOH 81 -14.304 -5.437 9.940 1.00 50.51 O HETATM 1484 O HOH 82 24.627 0.482 -9.527 1.00 42.77 O HETATM 1485 O HOH 83 1.415 -2.626 12.268 1.00 47.01 O HETATM 1486 O HOH 84 11.003 -15.705 15.698 1.00 50.30 O HETATM 1487 O HOH 85 27.155 -0.543 -9.840 1.00 49.25 O HETATM 1488 O HOH 86 -6.281 -9.537 14.796 1.00 47.33 O HETATM 1489 O HOH 87 3.764 1.444 17.868 1.00 36.78 O HETATM 1490 O HOH 88 5.110 5.353 26.813 1.00 50.48 O HETATM 1491 O HOH 89 4.578 2.121 8.959 1.00 55.89 O HETATM 1492 O HOH 90 31.257 -5.671 17.382 1.00 52.04 O HETATM 1493 O HOH 91 4.350 4.306 10.664 1.00 42.96 O HETATM 1494 O HOH 92 33.895 6.275 2.518 1.00 49.61 O HETATM 1495 O HOH 93 17.537 -13.610 1.834 1.00 46.48 O HETATM 1496 O HOH 94 22.967 1.260 19.174 1.00 44.92 O HETATM 1497 O HOH 95 13.889 10.750 21.564 1.00 54.12 O HETATM 1498 O HOH 96 -4.235 -8.421 11.880 1.00 47.87 O HETATM 1499 O HOH 97 10.838 -12.718 8.790 1.00 49.63 O HETATM 1500 O HOH 98 26.691 7.037 8.299 1.00 48.18 O HETATM 1501 O HOH 99 22.321 8.164 10.043 1.00 39.33 O HETATM 1502 O HOH 100 -19.549 6.202 15.771 1.00 40.09 O HETATM 1503 O HOH 101 12.236 2.053 25.043 1.00 53.08 O HETATM 1504 O HOH 102 18.458 -0.667 25.280 1.00 49.48 O HETATM 1505 O HOH 103 16.678 3.277 0.731 1.00 46.17 O HETATM 1506 O HOH 104 28.946 7.798 7.052 1.00 44.09 O HETATM 1507 O HOH 105 2.584 14.332 21.248 1.00 53.27 O HETATM 1508 O HOH 106 30.890 1.441 -8.259 1.00 48.09 O HETATM 1509 O HOH 107 13.779 9.041 23.191 1.00 51.87 O HETATM 1510 O HOH 108 26.468 -4.045 -4.790 1.00 43.69 O HETATM 1511 O HOH 109 31.062 0.881 14.082 1.00 46.72 O HETATM 1512 O HOH 110 -18.552 -4.262 11.438 1.00 49.39 O HETATM 1513 O HOH 111 23.834 -4.150 -4.854 1.00 51.89 O HETATM 1514 O HOH 112 21.742 -9.166 18.289 1.00 43.14 O HETATM 1515 O HOH 113 -22.172 5.675 16.344 1.00 48.32 O HETATM 1516 O HOH 114 29.461 0.165 -9.414 1.00 53.14 O HETATM 1517 O HOH 115 19.791 7.444 9.772 1.00 39.12 O HETATM 1518 O HOH 116 -14.786 -6.318 18.804 1.00 54.64 O HETATM 1519 O HOH 117 -7.673 -4.936 6.921 1.00 50.11 O HETATM 1520 O HOH 118 -19.785 -0.406 22.922 1.00 45.18 O HETATM 1521 O HOH 119 33.596 -4.202 -4.064 1.00 50.85 O HETATM 1522 O HOH 120 24.592 3.912 -12.994 1.00 46.50 O HETATM 1523 O HOH 121 35.772 -3.732 11.559 1.00 52.39 O HETATM 1524 O HOH 122 26.727 6.638 11.009 1.00 50.75 O HETATM 1525 O HOH 123 9.904 6.639 13.412 1.00 48.51 O HETATM 1526 O HOH 124 17.984 -7.327 23.987 1.00 56.25 O HETATM 1527 O HOH 125 16.359 -4.027 25.419 1.00 51.76 O HETATM 1528 O HOH 126 14.393 6.295 12.278 1.00 47.31 O HETATM 1529 O HOH 127 -13.816 -6.341 14.179 1.00 46.66 O HETATM 1530 O HOH 128 20.304 5.694 22.647 1.00 53.07 O HETATM 1531 O HOH 129 37.403 -0.224 10.838 1.00 49.94 O HETATM 1532 O HOH 130 21.071 -8.850 -2.741 1.00 61.26 O HETATM 1533 O HOH 131 -5.961 12.067 21.784 1.00 47.88 O HETATM 1534 O HOH 132 4.303 -0.374 22.015 1.00 62.40 O HETATM 1535 O HOH 133 34.891 3.922 7.398 1.00 47.70 O HETATM 1536 O HOH 134 -22.547 2.178 19.921 1.00 50.02 O HETATM 1537 O HOH 135 26.608 11.559 6.380 1.00 58.18 O HETATM 1538 O HOH 136 30.375 8.235 -7.945 1.00 45.03 O HETATM 1539 O HOH 137 32.831 -0.797 15.268 1.00 56.61 O HETATM 1540 O HOH 138 6.340 0.350 22.479 1.00 52.85 O HETATM 1541 O HOH 139 9.612 1.680 8.586 1.00 49.49 O HETATM 1542 O HOH 140 17.930 -5.893 -2.185 1.00 50.34 O HETATM 1543 O HOH 141 27.045 -3.351 -9.135 1.00 61.22 O HETATM 1544 O HOH 142 27.496 -3.078 17.406 1.00 52.75 O HETATM 1545 O HOH 143 21.961 -7.641 20.088 1.00 54.67 O HETATM 1546 O HOH 144 6.961 8.948 24.894 1.00 55.40 O HETATM 1547 O HOH 145 -13.964 0.359 0.031 1.00 52.68 O HETATM 1548 O HOH 146 -10.650 -0.922 1.315 1.00 56.61 O HETATM 1549 O HOH 147 -6.760 -8.194 20.693 1.00 58.13 O HETATM 1550 O HOH 148 37.897 1.445 2.849 1.00 56.04 O HETATM 1551 O HOH 149 -4.917 -7.447 9.233 1.00 59.74 O HETATM 1552 O HOH 150 25.732 6.142 -12.815 1.00 38.25 O HETATM 1553 O HOH 151 -16.524 10.085 15.987 1.00 52.16 O HETATM 1554 O HOH 152 7.267 2.182 24.680 1.00 51.21 O HETATM 1555 O HOH 153 18.032 -16.085 14.677 1.00 56.22 O HETATM 1556 O HOH 154 34.940 6.686 5.126 1.00 54.93 O HETATM 1557 O HOH 155 30.452 -12.968 -0.515 1.00 57.29 O HETATM 1558 O HOH 156 12.032 -17.550 13.363 1.00 55.73 O HETATM 1559 O HOH 157 11.211 -16.439 11.054 1.00 53.62 O HETATM 1560 O HOH 158 27.408 1.119 17.510 1.00 56.66 O HETATM 1561 O HOH 159 -23.480 7.976 16.277 1.00 54.89 O HETATM 1562 O HOH 160 12.079 6.760 11.470 1.00 54.75 O HETATM 1563 O HOH 161 13.899 8.754 15.959 1.00 63.41 O HETATM 1564 O HOH 162 36.726 -5.165 3.397 1.00 55.80 O HETATM 1565 O HOH 163 13.390 6.052 23.448 1.00 50.30 O HETATM 1566 O HOH 164 12.022 10.214 24.503 1.00 59.33 O HETATM 1567 O HOH 165 3.663 8.716 10.361 1.00 54.88 O HETATM 1568 O HOH 166 -11.858 -3.904 22.699 1.00 49.33 O HETATM 1569 O HOH 167 -20.279 -3.224 14.494 1.00 60.07 O HETATM 1570 O HOH 168 18.190 10.987 -14.664 1.00 56.47 O HETATM 1571 O HOH 169 20.529 10.197 -15.781 1.00 50.37 O HETATM 1572 O HOH 170 34.716 3.723 3.373 1.00 49.96 O HETATM 1573 O HOH 171 9.504 1.663 25.168 1.00 55.43 O HETATM 1574 O HOH 172 24.505 -15.915 -0.983 1.00 52.06 O HETATM 1575 O HOH 173 0.357 -4.901 11.931 1.00 52.42 O HETATM 1576 O HOH 174 13.096 -9.515 -6.278 1.00 50.35 O HETATM 1577 O HOH 175 29.637 -10.959 -2.923 1.00 57.61 O HETATM 1578 O HOH 176 26.497 -1.169 18.297 1.00 53.90 O HETATM 1579 O HOH 177 2.226 9.579 16.393 1.00 55.10 O HETATM 1580 O HOH 178 6.124 5.388 8.003 1.00 59.43 O HETATM 1581 O HOH 179 1.820 11.099 18.005 1.00 52.38 O HETATM 1582 O HOH 180 -14.500 -8.075 9.960 1.00 61.24 O HETATM 1583 O HOH 181 10.288 12.286 22.860 1.00 56.25 O HETATM 1584 O HOH 182 -14.638 10.887 11.729 1.00 22.05 O HETATM 1585 O HOH 183 -11.319 9.603 12.755 1.00 26.65 O HETATM 1586 O HOH 184 -14.660 11.647 14.533 1.00 28.11 O HETATM 1587 O HOH 185 -11.973 10.644 15.117 1.00 27.99 O HETATM 1588 O HOH 186 -13.134 5.018 4.601 1.00 29.22 O HETATM 1589 O HOH 187 -13.185 13.415 3.342 1.00 48.30 O HETATM 1590 O HOH 188 -8.246 10.918 13.553 1.00 41.12 O HETATM 1591 O HOH 189 -13.385 11.160 3.085 1.00 47.25 O HETATM 1592 O HOH 190 -9.726 1.935 1.019 1.00 50.92 O HETATM 1593 O HOH 191 -8.023 9.659 4.731 1.00 47.65 O HETATM 1594 O HOH 192 -15.763 14.291 15.086 1.00 33.07 O HETATM 1595 O HOH 193 -9.764 8.877 3.107 1.00 59.98 O HETATM 1596 O HOH 194 -11.460 4.035 0.851 1.00 60.65 O HETATM 1597 O HOH 195 18.326 0.664 1.356 1.00 57.42 O HETATM 1598 N HIS A 196 -6.349 16.450 15.963 1.00 0.24 N HETATM 1599 CA HIS A 196 -6.923 16.495 14.620 1.00 0.07 C HETATM 1600 C HIS A 196 -7.620 15.181 14.286 1.00 0.23 C HETATM 1601 O HIS A 196 -7.009 14.114 14.337 1.00 -0.39 O HETATM 1602 N HIS A 196 -8.901 15.261 13.947 1.00 -0.26 N HETATM 1603 CA HIS A 196 -9.673 14.073 13.615 1.00 0.13 C HETATM 1604 C HIS A 196 -9.909 14.007 12.119 1.00 0.20 C HETATM 1605 O HIS A 196 -10.159 15.028 11.470 1.00 -0.39 O HETATM 1606 N HIS A 196 -9.823 12.799 11.579 1.00 -0.26 N HETATM 1607 CA HIS A 196 -10.003 12.575 10.154 1.00 0.14 C HETATM 1608 C HIS A 196 -11.391 12.052 9.831 1.00 0.21 C HETATM 1609 O HIS A 196 -11.975 11.269 10.585 1.00 -0.39 O HETATM 1610 N HIS A 196 -11.905 12.459 8.676 1.00 -0.26 N HETATM 1611 CA HIS A 196 -13.200 11.992 8.216 1.00 0.15 C HETATM 1612 C HIS A 196 -13.232 10.484 8.032 1.00 0.21 C HETATM 1613 O HIS A 196 -14.134 9.815 8.519 1.00 -0.39 O HETATM 1614 N HIS A 196 -12.245 9.965 7.309 1.00 -0.26 N HETATM 1615 CA HIS A 196 -12.236 8.572 6.882 1.00 0.15 C HETATM 1616 C HIS A 196 -10.813 8.062 6.724 1.00 0.21 C HETATM 1617 O HIS A 196 -9.881 8.852 6.563 1.00 -0.39 O HETATM 1618 N HIS A 196 -10.653 6.742 6.764 1.00 -0.26 N HETATM 1619 CA HIS A 196 -9.360 6.096 6.535 1.00 0.14 C HETATM 1620 C HIS A 196 -9.423 5.228 5.291 1.00 0.21 C HETATM 1621 O HIS A 196 -10.489 4.748 4.906 1.00 -0.39 O HETATM 1622 N HIS A 196 -8.280 5.032 4.655 1.00 -0.26 N HETATM 1623 CA HIS A 196 -8.229 4.188 3.467 1.00 0.13 C HETATM 1624 C HIS A 196 -7.321 2.994 3.718 1.00 0.20 C HETATM 1625 O HIS A 196 -6.484 3.030 4.615 1.00 -0.39 O HETATM 1626 N HIS A 196 -7.523 1.927 2.951 1.00 -0.27 N HETATM 1627 CA HIS A 196 -6.696 0.743 3.061 1.00 0.12 C HETATM 1628 C HIS A 196 -5.427 0.954 2.271 1.00 0.20 C HETATM 1629 O HIS A 196 -4.447 0.231 2.437 1.00 -0.40 O HETATM 1630 N HIS A 196 -5.445 1.967 1.411 1.00 -0.30 N HETATM 1631 H62 HIS A 196 -4.638 2.165 0.854 1.00 0.18 H HETATM 1632 H63 HIS A 196 -6.265 2.532 1.321 1.00 0.18 H HETATM 1633 H60 HIS A 196 -7.240 -0.125 2.660 1.00 0.08 H HETATM 1634 H61 HIS A 196 -6.447 0.564 4.117 1.00 0.08 H HETATM 1635 H59 HIS A 196 -8.265 1.942 2.281 1.00 0.19 H HETATM 1636 CB HIS A 196 -7.764 4.990 2.256 1.00 -0.00 C HETATM 1637 CG HIS A 196 -6.456 5.719 2.467 1.00 0.00 C HETATM 1638 CD HIS A 196 -6.059 6.564 1.269 1.00 0.04 C HETATM 1639 OE1 HIS A 196 -4.866 6.922 1.161 1.00 -0.57 O HETATM 1640 OE2 HIS A 196 -6.940 6.874 0.437 1.00 -0.57 O HETATM 1641 H57 HIS A 196 -5.665 4.977 2.653 1.00 0.04 H HETATM 1642 H58 HIS A 196 -6.556 6.376 3.344 1.00 0.04 H HETATM 1643 H55 HIS A 196 -8.539 5.732 2.014 1.00 0.03 H HETATM 1644 H56 HIS A 196 -7.642 4.299 1.409 1.00 0.03 H HETATM 1645 H54 HIS A 196 -9.243 3.814 3.262 1.00 0.08 H HETATM 1646 H53 HIS A 196 -7.444 5.466 4.992 1.00 0.19 H HETATM 1647 CB HIS A 196 -8.951 5.257 7.756 1.00 0.02 C HETATM 1648 CG HIS A 196 -8.920 6.106 8.994 1.00 -0.05 C HETATM 1649 CD1 HIS A 196 -7.905 7.034 9.180 1.00 -0.07 C HETATM 1650 CE1 HIS A 196 -7.885 7.852 10.275 1.00 -0.04 C HETATM 1651 CZ HIS A 196 -8.893 7.762 11.202 1.00 0.08 C HETATM 1652 CE2 HIS A 196 -9.926 6.860 11.043 1.00 -0.04 C HETATM 1653 CD2 HIS A 196 -9.936 6.038 9.936 1.00 -0.07 C HETATM 1654 H49 HIS A 196 -10.746 5.331 9.800 1.00 0.05 H HETATM 1655 H51 HIS A 196 -10.719 6.799 11.779 1.00 0.05 H HETATM 1656 OH HIS A 196 -8.857 8.581 12.296 1.00 -0.34 O HETATM 1657 H52 HIS A 196 -9.637 9.123 12.310 1.00 0.25 H HETATM 1658 H50 HIS A 196 -7.080 8.565 10.410 1.00 0.05 H HETATM 1659 H48 HIS A 196 -7.114 7.112 8.443 1.00 0.05 H HETATM 1660 H46 HIS A 196 -7.951 4.832 7.584 1.00 0.05 H HETATM 1661 H47 HIS A 196 -9.677 4.442 7.894 1.00 0.05 H HETATM 1662 H45 HIS A 196 -8.601 6.877 6.379 1.00 0.08 H HETATM 1663 H44 HIS A 196 -11.448 6.168 6.958 1.00 0.19 H HETATM 1664 CB HIS A 196 -12.972 8.414 5.547 1.00 0.08 C HETATM 1665 CG HIS A 196 -14.473 8.636 5.672 1.00 0.18 C HETATM 1666 OD1 HIS A 196 -15.156 7.912 6.384 1.00 -0.40 O HETATM 1667 ND2 HIS A 196 -14.988 9.638 4.969 1.00 -0.30 N HETATM 1668 H42 HIS A 196 -15.969 9.828 5.014 1.00 0.18 H HETATM 1669 H43 HIS A 196 -14.395 10.202 4.394 1.00 0.18 H HETATM 1670 H40 HIS A 196 -12.797 7.396 5.168 1.00 0.06 H HETATM 1671 H41 HIS A 196 -12.567 9.146 4.833 1.00 0.06 H HETATM 1672 H39 HIS A 196 -12.748 7.968 7.646 1.00 0.08 H HETATM 1673 H38 HIS A 196 -11.479 10.553 7.048 1.00 0.19 H HETATM 1674 CB HIS A 196 -13.538 12.634 6.873 1.00 0.08 C HETATM 1675 CG HIS A 196 -13.789 14.112 6.980 1.00 0.18 C HETATM 1676 OD1 HIS A 196 -14.088 14.618 8.055 1.00 -0.40 O HETATM 1677 ND2 HIS A 196 -13.721 14.813 5.850 1.00 -0.30 N HETATM 1678 H36 HIS A 196 -13.880 15.800 5.864 1.00 0.18 H HETATM 1679 H37 HIS A 196 -13.511 14.352 4.988 1.00 0.18 H HETATM 1680 H34 HIS A 196 -14.441 12.152 6.471 1.00 0.06 H HETATM 1681 H35 HIS A 196 -12.697 12.470 6.183 1.00 0.06 H HETATM 1682 H33 HIS A 196 -13.959 12.278 8.959 1.00 0.08 H HETATM 1683 H32 HIS A 196 -11.388 13.102 8.111 1.00 0.19 H HETATM 1684 CB HIS A 196 -8.970 11.567 9.665 1.00 0.02 C HETATM 1685 CG HIS A 196 -7.556 12.067 9.757 1.00 -0.05 C HETATM 1686 CD1 HIS A 196 -7.072 12.998 8.850 1.00 -0.07 C HETATM 1687 CE1 HIS A 196 -5.780 13.463 8.929 1.00 -0.04 C HETATM 1688 CZ HIS A 196 -4.951 12.998 9.930 1.00 0.08 C HETATM 1689 CE2 HIS A 196 -5.410 12.076 10.843 1.00 -0.04 C HETATM 1690 CD2 HIS A 196 -6.706 11.617 10.754 1.00 -0.07 C HETATM 1691 H28 HIS A 196 -7.066 10.892 11.475 1.00 0.05 H HETATM 1692 H30 HIS A 196 -4.756 11.713 11.627 1.00 0.05 H HETATM 1693 OH HIS A 196 -3.658 13.454 10.018 1.00 -0.34 O HETATM 1694 H31 HIS A 196 -3.496 14.080 9.322 1.00 0.25 H HETATM 1695 H29 HIS A 196 -5.416 14.189 8.211 1.00 0.05 H HETATM 1696 H27 HIS A 196 -7.723 13.366 8.065 1.00 0.05 H HETATM 1697 H25 HIS A 196 -9.187 11.328 8.614 1.00 0.05 H HETATM 1698 H26 HIS A 196 -9.057 10.655 10.274 1.00 0.05 H HETATM 1699 H24 HIS A 196 -9.855 13.529 9.628 1.00 0.08 H HETATM 1700 H23 HIS A 196 -9.628 12.017 12.171 1.00 0.19 H HETATM 1701 CB HIS A 196 -11.009 14.086 14.352 1.00 -0.01 C HETATM 1702 CG HIS A 196 -10.862 14.120 15.869 1.00 -0.04 C HETATM 1703 CD HIS A 196 -12.212 14.235 16.552 1.00 -0.01 C HETATM 1704 CE HIS A 196 -12.073 14.307 18.062 1.00 -0.04 C HETATM 1705 NZ HIS A 196 -13.407 14.433 18.705 1.00 0.22 N HETATM 1706 H20 HIS A 196 -13.295 14.479 19.706 1.00 0.20 H HETATM 1707 H21 HIS A 196 -13.972 13.633 18.467 1.00 0.20 H HETATM 1708 H22 HIS A 196 -13.859 15.273 18.378 1.00 0.20 H HETATM 1709 H18 HIS A 196 -11.460 15.181 18.327 1.00 0.08 H HETATM 1710 H19 HIS A 196 -11.582 13.391 18.424 1.00 0.08 H HETATM 1711 H16 HIS A 196 -12.819 13.356 16.291 1.00 0.03 H HETATM 1712 H17 HIS A 196 -12.715 15.146 16.197 1.00 0.03 H HETATM 1713 H14 HIS A 196 -10.244 14.985 16.150 1.00 0.03 H HETATM 1714 H15 HIS A 196 -10.370 13.194 16.202 1.00 0.03 H HETATM 1715 H12 HIS A 196 -11.569 13.180 14.076 1.00 0.03 H HETATM 1716 H13 HIS A 196 -11.573 14.976 14.036 1.00 0.03 H HETATM 1717 H11 HIS A 196 -9.105 13.183 13.925 1.00 0.08 H HETATM 1718 H10 HIS A 196 -9.345 16.157 13.919 1.00 0.19 H HETATM 1719 CB HIS A 196 -5.837 16.791 13.579 1.00 0.03 C HETATM 1720 CG HIS A 196 -6.373 17.109 12.216 1.00 0.00 C HETATM 1721 ND1 HIS A 196 -6.782 16.136 11.328 1.00 -0.33 N HETATM 1722 CE1 HIS A 196 -7.206 16.708 10.215 1.00 0.09 C HETATM 1723 NE2 HIS A 196 -7.082 18.017 10.346 1.00 -0.28 N HETATM 1724 CD2 HIS A 196 -6.563 18.294 11.588 1.00 0.03 C HETATM 1725 H7 HIS A 196 -6.345 19.282 11.992 1.00 0.07 H HETATM 1726 H9 HIS A 196 -7.333 18.716 9.633 1.00 0.24 H HETATM 1727 H8 HIS A 196 -7.592 16.189 9.339 1.00 0.12 H HETATM 1728 H5 HIS A 196 -5.185 15.909 13.498 1.00 0.05 H HETATM 1729 H6 HIS A 196 -5.247 17.651 13.929 1.00 0.05 H HETATM 1730 H4 HIS A 196 -7.668 17.304 14.588 1.00 0.11 H HETATM 1731 H1 HIS A 196 -5.894 17.327 16.163 1.00 0.20 H HETATM 1732 H2 HIS A 196 -5.675 15.702 16.016 1.00 0.20 H HETATM 1733 H3 HIS A 196 -7.082 16.290 16.637 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 874 875 884 885 886 CONECT 884 874 CONECT 885 874 CONECT 886 874 CONECT 1598 1599 1731 1732 1733 CONECT 1599 1598 1600 1719 1730 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 1718 CONECT 1603 1602 1604 1701 1717 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 1607 1700 CONECT 1607 1606 1608 1684 1699 CONECT 1608 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 1611 1683 CONECT 1611 1610 1612 1674 1682 CONECT 1612 1611 1613 1614 CONECT 1613 1612 CONECT 1614 1612 1615 1673 CONECT 1615 1614 1616 1664 1672 CONECT 1616 1615 1617 1618 CONECT 1617 1616 CONECT 1618 1616 1619 1663 CONECT 1619 1618 1620 1647 1662 CONECT 1620 1619 1621 1622 CONECT 1621 1620 CONECT 1622 1620 1623 1646 CONECT 1623 1622 1624 1636 1645 CONECT 1624 1623 1625 1626 CONECT 1625 1624 CONECT 1626 1624 1627 1635 CONECT 1627 1626 1628 1633 1634 CONECT 1628 1627 1629 1630 CONECT 1629 1628 CONECT 1630 1628 1631 1632 CONECT 1631 1630 CONECT 1632 1630 CONECT 1633 1627 CONECT 1634 1627 CONECT 1635 1626 CONECT 1636 1623 1637 1643 1644 CONECT 1637 1636 1638 1641 1642 CONECT 1638 1637 1639 1640 CONECT 1639 1638 CONECT 1640 1638 CONECT 1641 1637 CONECT 1642 1637 CONECT 1643 1636 CONECT 1644 1636 CONECT 1645 1623 CONECT 1646 1622 CONECT 1647 1619 1648 1660 1661 CONECT 1648 1647 1649 1653 CONECT 1649 1648 1650 1659 CONECT 1650 1649 1651 1658 CONECT 1651 1650 1652 1656 CONECT 1652 1651 1653 1655 CONECT 1653 1648 1652 1654 CONECT 1654 1653 CONECT 1655 1652 CONECT 1656 1651 1657 CONECT 1657 1656 CONECT 1658 1650 CONECT 1659 1649 CONECT 1660 1647 CONECT 1661 1647 CONECT 1662 1619 CONECT 1663 1618 CONECT 1664 1615 1665 1670 1671 CONECT 1665 1664 1666 1667 CONECT 1666 1665 CONECT 1667 1665 1668 1669 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1664 CONECT 1671 1664 CONECT 1672 1615 CONECT 1673 1614 CONECT 1674 1611 1675 1680 1681 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1678 1679 CONECT 1678 1677 CONECT 1679 1677 CONECT 1680 1674 CONECT 1681 1674 CONECT 1682 1611 CONECT 1683 1610 CONECT 1684 1607 1685 1697 1698 CONECT 1685 1684 1686 1690 CONECT 1686 1685 1687 1696 CONECT 1687 1686 1688 1695 CONECT 1688 1687 1689 1693 CONECT 1689 1688 1690 1692 CONECT 1690 1685 1689 1691 CONECT 1691 1690 CONECT 1692 1689 CONECT 1693 1688 1694 CONECT 1694 1693 CONECT 1695 1687 CONECT 1696 1686 CONECT 1697 1684 CONECT 1698 1684 CONECT 1699 1607 CONECT 1700 1606 CONECT 1701 1603 1702 1715 1716 CONECT 1702 1701 1703 1713 1714 CONECT 1703 1702 1704 1711 1712 CONECT 1704 1703 1705 1709 1710 CONECT 1705 1704 1706 1707 1708 CONECT 1706 1705 CONECT 1707 1705 CONECT 1708 1705 CONECT 1709 1704 CONECT 1710 1704 CONECT 1711 1703 CONECT 1712 1703 CONECT 1713 1702 CONECT 1714 1702 CONECT 1715 1701 CONECT 1716 1701 CONECT 1717 1603 CONECT 1718 1602 CONECT 1719 1599 1720 1728 1729 CONECT 1720 1719 1721 1724 CONECT 1721 1720 1722 CONECT 1722 1721 1723 1727 CONECT 1723 1722 1724 1726 CONECT 1724 1720 1723 1725 CONECT 1725 1724 CONECT 1726 1723 CONECT 1727 1722 CONECT 1728 1719 CONECT 1729 1719 CONECT 1730 1599 CONECT 1731 1598 CONECT 1732 1598 CONECT 1733 1598 MASTER 0 0 0 0 0 0 0 0 1731 2 144 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4odk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b2m
RCSB PDB
PDBbind
104aa, >1B2M_2|Chains... *
1det
RCSB PDB
PDBbind
104aa, >1DET_1|Chain... at 100%
1rgk
RCSB PDB
PDBbind
104aa, >1RGK_1|Chain... at 98%
1rgl
RCSB PDB
PDBbind
104aa, >1RGL_1|Chain... at 98%
1rnt
RCSB PDB
PDBbind
104aa, >1RNT_1|Chain... at 99%
6rnt
RCSB PDB
PDBbind
104aa, >6RNT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bxl
RCSB PDB
PDBbind
16-mer
1dpu
RCSB PDB
PDBbind
16-mer
1dxp
RCSB PDB
PDBbind
16-mer
1g1e
RCSB PDB
PDBbind
16-mer
1j19
RCSB PDB
PDBbind
16-mer
1ok7
RCSB PDB
PDBbind
16-mer
1pmx
RCSB PDB
PDBbind
16-mer
1r17
RCSB PDB
PDBbind
16-mer
1s5q
RCSB PDB
PDBbind
16-mer
1sje
RCSB PDB
PDBbind
16-mer
1t2v
RCSB PDB
PDBbind
16-mer
1u8t
RCSB PDB
PDBbind
16-mer
1uti
RCSB PDB
PDBbind
16-mer
1vyj
RCSB PDB
PDBbind
16-mer
1y3a
RCSB PDB
PDBbind
16-mer
2b2v
RCSB PDB
PDBbind
16-mer
2flu
RCSB PDB
PDBbind
16-mer
2fx7
RCSB PDB
PDBbind
16-mer
2gph
RCSB PDB
PDBbind
16-mer
2ivz
RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
16-mer
2koh
RCSB PDB
PDBbind
16-mer
2kvm
RCSB PDB
PDBbind
16-mer
2lcs
RCSB PDB
PDBbind
16-mer
2lsk
RCSB PDB
PDBbind
16-mer
2lsr
RCSB PDB
PDBbind
16-mer
2mg5
RCSB PDB
PDBbind
16-mer
2mpm
RCSB PDB
PDBbind
16-mer
2mps
RCSB PDB
PDBbind
16-mer
2n1g
RCSB PDB
PDBbind
16-mer
3eht
RCSB PDB
PDBbind
16-mer
3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
4odk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FKBP peptidyl-prolyl isomerase SlyD
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=158uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) BMC Biol. Vol. 14: pp. 82-82
Ligand Properties
Formula
C
4
5
H
6
4
N
1
4
O
1
4
Molecular Weight
1025.080
Exact Mass
1024.470
No. of atoms
137
No. of bonds
139
Polar Surface Area
494.69
LOGP Value
-5.93 (
Computed with XLOGP3
)
-2.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)N)CC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1nc[nH]c1)[NH3+]
InChI String
InChI=1S/C45H62N14O14/c46-14-2-1-3-29(54-39(67)28(47)17-25-20-51-22-53-25)41(69)56-32(16-24-6-10-27(61)11-7-24)43(71)58-34(19-36(49)63)45(73)59-33(18-35(48)62)44(72)57-31(15-23-4-8-26(60)9-5-23)42(70)55-30(12-13-38(65)66)40(68)52-21-37(50)64/h4-11,20,22,28-34,60-61H,1-3,12-19,21,46-47H2,(H2,48,62)(H2,49,63)(H2,50,64)(H,51,53)(H,52,68)(H,54,67)(H,55,70)(H,56,69)(H,57,72)(H,58,71)(H,59,73)(H,65,66)/p+2/t28-,29-,30-,31-,32-,33-,34-/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):
P00651
Q5SLE7
Entrez Gene ID
NCBI Entrez Gene ID:
5997907
3168679
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓