Browse entries in the PDBbind-CN Database
HEADER 5F67_COMPLEX COMPND 5F67_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 98 SER ASP GLU THR LYS PHE ILE PHE ASP GLN PHE PRO LYS SEQRES 2 A 98 ALA ARG THR VAL GLN VAL ARG LYS GLU GLY PHE LEU GLY SEQRES 3 A 98 ILE MET VAL ILE TYR GLY LYS HIS ALA GLU VAL GLY SER SEQRES 4 A 98 GLY ILE PHE ILE SER ASP LEU ARG GLU GLY SER ASN ALA SEQRES 5 A 98 GLU LEU ALA GLY VAL LYS VAL GLY ASP MET LEU LEU ALA SEQRES 6 A 98 VAL ASN GLN ASP VAL THR LEU GLU SER ASN TYR ASP ASP SEQRES 7 A 98 ALA THR GLY LEU LEU LYS ARG ALA GLU GLY VAL VAL THR SEQRES 8 A 98 MET ILE LEU LEU THR LEU LYS HET GLY A 226 264 ATOM 1 N SER A 351 26.386 19.171 34.841 1.00 80.88 N ATOM 2 CA SER A 351 25.768 17.968 35.362 1.00 75.17 C ATOM 3 C SER A 351 25.721 16.855 34.313 1.00 67.32 C ATOM 4 O SER A 351 25.796 17.105 33.103 1.00 71.98 O ATOM 5 CB SER A 351 24.358 18.284 35.854 1.00 75.14 C ATOM 6 OG SER A 351 23.461 18.317 34.760 1.00 80.38 O ATOM 7 HG SER A 351 22.550 18.522 35.088 1.00 0.00 H ATOM 8 HN3 SER A 351 25.841 19.513 34.024 1.00 0.00 H ATOM 9 HN2 SER A 351 27.360 18.959 34.545 1.00 0.00 H ATOM 10 HN1 SER A 351 26.399 19.901 35.581 1.00 0.00 H ATOM 11 N ASP A 352 25.632 15.618 34.790 1.00 51.58 N ATOM 12 CA ASP A 352 25.322 14.499 33.916 1.00 41.13 C ATOM 13 C ASP A 352 23.809 14.502 33.722 1.00 30.16 C ATOM 14 O ASP A 352 23.058 14.167 34.641 1.00 26.56 O ATOM 15 CB ASP A 352 25.802 13.177 34.528 1.00 37.34 C ATOM 16 CG ASP A 352 25.556 11.975 33.619 1.00 43.76 C ATOM 17 OD1 ASP A 352 25.063 12.147 32.476 1.00 38.30 O ATOM 18 OD2 ASP A 352 25.871 10.846 34.054 1.00 46.06 O ATOM 19 H ASP A 352 25.787 15.448 35.804 1.00 0.00 H ATOM 20 N GLU A 353 23.364 14.891 32.530 1.00 21.76 N ATOM 21 CA GLU A 353 21.936 15.028 32.261 1.00 20.06 C ATOM 22 C GLU A 353 21.216 13.680 32.172 1.00 19.14 C ATOM 23 O GLU A 353 19.982 13.627 32.154 1.00 21.54 O ATOM 24 CB GLU A 353 21.712 15.819 30.966 1.00 26.52 C ATOM 25 H GLU A 353 24.047 15.102 31.775 1.00 0.00 H ATOM 26 N THR A 354 21.979 12.593 32.109 1.00 15.42 N ATOM 27 CA THR A 354 21.377 11.266 31.966 1.00 14.50 C ATOM 28 C THR A 354 21.391 10.446 33.258 1.00 15.15 C ATOM 29 O THR A 354 20.801 9.365 33.301 1.00 14.91 O ATOM 30 CB THR A 354 22.051 10.443 30.834 1.00 14.19 C ATOM 31 OG1 THR A 354 23.434 10.216 31.153 1.00 18.22 O ATOM 32 CG2 THR A 354 21.948 11.180 29.504 1.00 19.74 C ATOM 33 HG1 THR A 354 23.857 9.691 30.428 1.00 0.00 H ATOM 34 H THR A 354 23.013 12.686 32.162 1.00 0.00 H ATOM 35 N LYS A 355 22.047 10.944 34.310 1.00 14.89 N ATOM 36 CA LYS A 355 22.219 10.124 35.513 1.00 15.95 C ATOM 37 C LYS A 355 20.885 9.751 36.176 1.00 14.10 C ATOM 38 O LYS A 355 20.767 8.676 36.761 1.00 16.59 O ATOM 39 CB LYS A 355 23.179 10.782 36.524 1.00 17.90 C ATOM 40 CG LYS A 355 23.494 9.916 37.768 1.00 21.19 C ATOM 41 CD LYS A 355 24.589 10.518 38.640 1.00 29.62 C ATOM 42 CE LYS A 355 25.962 10.443 37.958 1.00 36.07 C ATOM 43 NZ LYS A 355 26.444 9.033 37.745 1.00 20.29 N ATOM 44 HZ1 LYS A 355 26.523 8.552 38.664 1.00 0.00 H ATOM 45 HZ2 LYS A 355 25.766 8.523 37.143 1.00 0.00 H ATOM 46 HZ3 LYS A 355 27.375 9.052 37.281 1.00 0.00 H ATOM 47 H LYS A 355 22.434 11.909 34.276 1.00 0.00 H ATOM 48 N PHE A 356 19.883 10.622 36.067 1.00 15.48 N ATOM 49 CA PHE A 356 18.595 10.355 36.700 1.00 15.53 C ATOM 50 C PHE A 356 17.952 9.076 36.165 1.00 15.31 C ATOM 51 O PHE A 356 17.128 8.463 36.843 1.00 15.74 O ATOM 52 CB PHE A 356 17.626 11.539 36.521 1.00 18.00 C ATOM 53 CG PHE A 356 16.985 11.602 35.166 1.00 21.75 C ATOM 54 CD1 PHE A 356 15.733 11.033 34.946 1.00 18.74 C ATOM 55 CD2 PHE A 356 17.632 12.227 34.104 1.00 24.17 C ATOM 56 CE1 PHE A 356 15.140 11.078 33.688 1.00 18.61 C ATOM 57 CE2 PHE A 356 17.038 12.281 32.846 1.00 19.10 C ATOM 58 CZ PHE A 356 15.793 11.707 32.641 1.00 22.18 C ATOM 59 H PHE A 356 20.020 11.500 35.526 1.00 0.00 H ATOM 60 N ILE A 357 18.314 8.691 34.942 1.00 14.31 N ATOM 61 CA ILE A 357 17.746 7.501 34.326 1.00 14.91 C ATOM 62 C ILE A 357 17.958 6.253 35.182 1.00 15.32 C ATOM 63 O ILE A 357 17.095 5.367 35.222 1.00 16.08 O ATOM 64 CB ILE A 357 18.310 7.306 32.902 1.00 15.82 C ATOM 65 CG1 ILE A 357 17.843 8.461 32.006 1.00 13.24 C ATOM 66 CG2 ILE A 357 17.893 5.957 32.321 1.00 14.49 C ATOM 67 CD1 ILE A 357 18.538 8.531 30.643 1.00 17.39 C ATOM 68 H ILE A 357 19.016 9.251 34.418 1.00 0.00 H ATOM 69 N PHE A 358 19.081 6.188 35.893 1.00 15.19 N ATOM 70 CA PHE A 358 19.387 4.998 36.687 1.00 11.60 C ATOM 71 C PHE A 358 18.630 4.952 38.008 1.00 15.00 C ATOM 72 O PHE A 358 18.720 3.964 38.741 1.00 18.12 O ATOM 73 CB PHE A 358 20.905 4.854 36.891 1.00 11.36 C ATOM 74 CG PHE A 358 21.645 4.687 35.603 1.00 14.01 C ATOM 75 CD1 PHE A 358 21.602 3.469 34.918 1.00 12.95 C ATOM 76 CD2 PHE A 358 22.323 5.761 35.030 1.00 11.15 C ATOM 77 CE1 PHE A 358 22.262 3.320 33.687 1.00 10.88 C ATOM 78 CE2 PHE A 358 22.976 5.622 33.799 1.00 12.27 C ATOM 79 CZ PHE A 358 22.948 4.396 33.129 1.00 12.75 C ATOM 80 H PHE A 358 19.745 6.988 35.884 1.00 0.00 H ATOM 81 N ASP A 359 17.892 6.014 38.320 1.00 13.48 N ATOM 82 CA ASP A 359 17.005 5.977 39.489 1.00 13.43 C ATOM 83 C ASP A 359 15.601 5.602 39.032 1.00 19.19 C ATOM 84 O ASP A 359 14.851 4.957 39.759 1.00 19.09 O ATOM 85 CB ASP A 359 16.978 7.324 40.226 1.00 14.93 C ATOM 86 CG ASP A 359 18.125 7.474 41.200 1.00 19.32 C ATOM 87 OD1 ASP A 359 19.078 6.667 41.109 1.00 19.03 O ATOM 88 OD2 ASP A 359 18.083 8.393 42.060 1.00 19.92 O ATOM 89 H ASP A 359 17.944 6.872 37.735 1.00 0.00 H ATOM 90 N GLN A 360 15.248 6.013 37.821 1.00 16.65 N ATOM 91 CA GLN A 360 13.950 5.651 37.251 1.00 13.69 C ATOM 92 C GLN A 360 13.968 4.218 36.715 1.00 19.50 C ATOM 93 O GLN A 360 12.966 3.495 36.804 1.00 20.55 O ATOM 94 CB GLN A 360 13.582 6.621 36.127 1.00 17.92 C ATOM 95 CG GLN A 360 12.156 6.445 35.637 1.00 27.07 C ATOM 96 CD GLN A 360 11.666 7.619 34.812 1.00 24.07 C ATOM 97 OE1 GLN A 360 12.274 8.693 34.808 1.00 30.00 O ATOM 98 NE2 GLN A 360 10.549 7.424 34.120 1.00 29.40 N ATOM 99 HE22 GLN A 360 10.071 6.501 34.154 1.00 0.00 H ATOM 100 HE21 GLN A 360 10.153 8.194 33.544 1.00 0.00 H ATOM 101 H GLN A 360 15.904 6.601 37.268 1.00 0.00 H ATOM 102 N PHE A 361 15.104 3.816 36.148 1.00 12.92 N ATOM 103 CA PHE A 361 15.272 2.466 35.606 1.00 13.35 C ATOM 104 C PHE A 361 16.576 1.871 36.146 1.00 12.05 C ATOM 105 O PHE A 361 17.598 1.875 35.460 1.00 15.27 O ATOM 106 CB PHE A 361 15.316 2.501 34.071 1.00 12.42 C ATOM 107 CG PHE A 361 14.133 3.192 33.437 1.00 13.08 C ATOM 108 CD1 PHE A 361 12.944 2.502 33.210 1.00 18.77 C ATOM 109 CD2 PHE A 361 14.215 4.528 33.067 1.00 15.14 C ATOM 110 CE1 PHE A 361 11.854 3.135 32.631 1.00 23.08 C ATOM 111 CE2 PHE A 361 13.131 5.171 32.483 1.00 17.02 C ATOM 112 CZ PHE A 361 11.949 4.474 32.260 1.00 16.48 C ATOM 113 H PHE A 361 15.899 4.484 36.088 1.00 0.00 H ATOM 114 N PRO A 362 16.547 1.362 37.386 1.00 13.21 N ATOM 115 CA PRO A 362 17.817 0.980 38.012 1.00 11.92 C ATOM 116 C PRO A 362 18.506 -0.223 37.373 1.00 17.91 C ATOM 117 O PRO A 362 19.681 -0.471 37.672 1.00 16.65 O ATOM 118 CB PRO A 362 17.432 0.678 39.470 1.00 18.02 C ATOM 119 CG PRO A 362 15.941 0.589 39.498 1.00 20.24 C ATOM 120 CD PRO A 362 15.434 1.408 38.353 1.00 18.08 C ATOM 121 N LYS A 363 17.814 -0.942 36.496 1.00 12.99 N ATOM 122 CA LYS A 363 18.447 -2.067 35.794 1.00 15.41 C ATOM 123 C LYS A 363 19.020 -1.675 34.434 1.00 13.77 C ATOM 124 O LYS A 363 19.549 -2.527 33.705 1.00 13.37 O ATOM 125 CB LYS A 363 17.468 -3.240 35.644 1.00 15.94 C ATOM 126 CG LYS A 363 17.011 -3.819 36.980 1.00 26.30 C ATOM 127 CD LYS A 363 18.206 -4.205 37.850 1.00 34.69 C ATOM 128 H LYS A 363 16.819 -0.707 36.305 1.00 0.00 H ATOM 129 N ALA A 364 18.949 -0.385 34.101 1.00 9.67 N ATOM 130 CA ALA A 364 19.514 0.088 32.834 1.00 8.61 C ATOM 131 C ALA A 364 21.039 -0.006 32.882 1.00 14.36 C ATOM 132 O ALA A 364 21.631 -0.069 33.969 1.00 15.03 O ATOM 133 CB ALA A 364 19.081 1.525 32.545 1.00 11.79 C ATOM 134 H ALA A 364 18.489 0.290 34.745 1.00 0.00 H ATOM 135 N ARG A 365 21.671 -0.019 31.711 1.00 9.46 N ATOM 136 CA ARG A 365 23.122 -0.130 31.659 1.00 10.69 C ATOM 137 C ARG A 365 23.667 0.791 30.576 1.00 15.16 C ATOM 138 O ARG A 365 22.936 1.244 29.695 1.00 12.98 O ATOM 139 CB ARG A 365 23.527 -1.581 31.357 1.00 15.38 C ATOM 140 CG ARG A 365 23.122 -2.042 29.945 1.00 13.78 C ATOM 141 CD ARG A 365 23.225 -3.564 29.764 1.00 15.83 C ATOM 142 NE ARG A 365 23.082 -3.957 28.352 1.00 16.90 N ATOM 143 CZ ARG A 365 21.912 -4.116 27.744 1.00 17.05 C ATOM 144 NH1 ARG A 365 20.792 -3.914 28.426 1.00 15.96 N ATOM 145 NH2 ARG A 365 21.855 -4.484 26.462 1.00 16.09 N ATOM 146 HE ARG A 365 23.948 -4.119 27.799 1.00 0.00 H ATOM 147 HH12 ARG A 365 19.870 -4.036 27.960 1.00 0.00 H ATOM 148 HH11 ARG A 365 20.836 -3.634 29.427 1.00 0.00 H ATOM 149 HH22 ARG A 365 20.933 -4.605 25.996 1.00 0.00 H ATOM 150 HH21 ARG A 365 22.733 -4.649 25.929 1.00 0.00 H ATOM 151 H ARG A 365 21.126 0.050 30.828 1.00 0.00 H ATOM 152 N THR A 366 24.957 1.085 30.650 1.00 9.84 N ATOM 153 CA THR A 366 25.583 1.935 29.650 1.00 10.82 C ATOM 154 C THR A 366 26.462 1.099 28.732 1.00 14.03 C ATOM 155 O THR A 366 27.307 0.339 29.210 1.00 15.87 O ATOM 156 CB THR A 366 26.477 2.986 30.351 1.00 17.54 C ATOM 157 OG1 THR A 366 25.650 3.871 31.119 1.00 18.07 O ATOM 158 CG2 THR A 366 27.258 3.786 29.327 1.00 16.83 C ATOM 159 HG1 THR A 366 26.219 4.545 31.569 1.00 0.00 H ATOM 160 H THR A 366 25.528 0.704 31.431 1.00 0.00 H ATOM 161 N VAL A 367 26.275 1.237 27.419 1.00 13.07 N ATOM 162 CA VAL A 367 27.191 0.616 26.468 1.00 14.05 C ATOM 163 C VAL A 367 27.913 1.686 25.664 1.00 17.89 C ATOM 164 O VAL A 367 27.397 2.787 25.482 1.00 16.01 O ATOM 165 CB VAL A 367 26.477 -0.361 25.504 1.00 14.76 C ATOM 166 CG1 VAL A 367 25.771 -1.458 26.297 1.00 19.64 C ATOM 167 CG2 VAL A 367 25.482 0.380 24.601 1.00 17.07 C ATOM 168 H VAL A 367 25.468 1.793 27.069 1.00 0.00 H ATOM 169 N GLN A 368 29.107 1.357 25.181 1.00 11.59 N ATOM 170 CA GLN A 368 29.900 2.290 24.390 1.00 10.53 C ATOM 171 C GLN A 368 30.153 1.626 23.048 1.00 16.99 C ATOM 172 O GLN A 368 30.921 0.667 22.963 1.00 19.98 O ATOM 173 CB GLN A 368 31.249 2.548 25.080 1.00 13.47 C ATOM 174 CG GLN A 368 31.131 3.045 26.533 1.00 14.62 C ATOM 175 CD GLN A 368 30.632 4.482 26.638 1.00 14.30 C ATOM 176 OE1 GLN A 368 30.460 5.179 25.626 1.00 14.93 O ATOM 177 NE2 GLN A 368 30.386 4.933 27.871 1.00 12.89 N ATOM 178 HE22 GLN A 368 30.544 4.315 28.692 1.00 0.00 H ATOM 179 HE21 GLN A 368 30.036 5.903 28.010 1.00 0.00 H ATOM 180 H GLN A 368 29.486 0.408 25.373 1.00 0.00 H ATOM 181 N VAL A 369 29.522 2.127 21.991 1.00 11.02 N ATOM 182 CA VAL A 369 29.582 1.429 20.713 1.00 10.14 C ATOM 183 C VAL A 369 30.199 2.326 19.644 1.00 13.19 C ATOM 184 O VAL A 369 29.698 3.420 19.380 1.00 15.37 O ATOM 185 CB VAL A 369 28.181 1.003 20.261 1.00 13.22 C ATOM 186 CG1 VAL A 369 28.254 0.252 18.929 1.00 15.72 C ATOM 187 CG2 VAL A 369 27.520 0.144 21.342 1.00 11.98 C ATOM 188 H VAL A 369 28.987 3.015 22.076 1.00 0.00 H ATOM 189 N ARG A 370 31.290 1.872 19.032 1.00 10.17 N ATOM 190 CA ARG A 370 31.942 2.691 18.017 1.00 9.72 C ATOM 191 C ARG A 370 31.213 2.608 16.687 1.00 15.10 C ATOM 192 O ARG A 370 30.951 1.511 16.168 1.00 14.86 O ATOM 193 CB ARG A 370 33.414 2.285 17.845 1.00 10.02 C ATOM 194 CG ARG A 370 34.223 3.255 16.964 1.00 16.14 C ATOM 195 CD ARG A 370 35.704 2.843 16.864 1.00 14.25 C ATOM 196 NE ARG A 370 36.252 2.671 18.211 1.00 16.40 N ATOM 197 CZ ARG A 370 36.817 3.638 18.928 1.00 16.11 C ATOM 198 NH1 ARG A 370 36.963 4.861 18.418 1.00 15.62 N ATOM 199 NH2 ARG A 370 37.243 3.376 20.160 1.00 15.83 N ATOM 200 HE ARG A 370 36.195 1.724 18.638 1.00 0.00 H ATOM 201 HH12 ARG A 370 37.406 5.612 18.985 1.00 0.00 H ATOM 202 HH11 ARG A 370 36.634 5.065 17.453 1.00 0.00 H ATOM 203 HH22 ARG A 370 37.686 4.126 20.728 1.00 0.00 H ATOM 204 HH21 ARG A 370 37.133 2.421 20.556 1.00 0.00 H ATOM 205 H ARG A 370 31.676 0.938 19.276 1.00 0.00 H ATOM 206 N LYS A 371 30.886 3.773 16.128 1.00 12.37 N ATOM 207 CA LYS A 371 30.250 3.806 14.818 1.00 14.39 C ATOM 208 C LYS A 371 31.338 3.635 13.782 1.00 16.74 C ATOM 209 O LYS A 371 32.205 4.497 13.633 1.00 16.05 O ATOM 210 CB LYS A 371 29.515 5.128 14.583 1.00 16.04 C ATOM 211 CG LYS A 371 28.790 5.152 13.246 1.00 18.67 C ATOM 212 CD LYS A 371 28.032 6.453 13.041 1.00 24.22 C ATOM 213 CE LYS A 371 26.660 6.404 13.681 1.00 19.74 C ATOM 214 NZ LYS A 371 25.908 7.631 13.292 1.00 17.61 N ATOM 215 HZ1 LYS A 371 26.423 8.472 13.623 1.00 0.00 H ATOM 216 HZ2 LYS A 371 25.815 7.665 12.257 1.00 0.00 H ATOM 217 HZ3 LYS A 371 24.963 7.609 13.726 1.00 0.00 H ATOM 218 H LYS A 371 31.086 4.662 16.629 1.00 0.00 H ATOM 219 N GLU A 372 31.320 2.499 13.094 1.00 13.83 N ATOM 220 CA GLU A 372 32.242 2.273 11.990 1.00 13.93 C ATOM 221 C GLU A 372 31.361 1.953 10.789 1.00 20.63 C ATOM 222 O GLU A 372 30.981 0.797 10.568 1.00 16.07 O ATOM 223 CB GLU A 372 33.224 1.145 12.332 1.00 18.33 C ATOM 224 CG GLU A 372 33.987 1.405 13.645 1.00 21.68 C ATOM 225 CD GLU A 372 35.015 0.334 13.978 1.00 23.74 C ATOM 226 OE1 GLU A 372 34.669 -0.871 13.969 1.00 18.27 O ATOM 227 OE2 GLU A 372 36.182 0.695 14.253 1.00 21.57 O ATOM 228 H GLU A 372 30.636 1.758 13.348 1.00 0.00 H ATOM 229 N GLY A 373 30.987 2.998 10.054 1.00 19.45 N ATOM 230 CA GLY A 373 29.980 2.866 9.013 1.00 15.96 C ATOM 231 C GLY A 373 28.593 3.000 9.625 1.00 24.30 C ATOM 232 O GLY A 373 27.779 3.828 9.202 1.00 25.29 O ATOM 233 H GLY A 373 31.423 3.926 10.227 1.00 0.00 H ATOM 234 N PHE A 374 28.336 2.188 10.645 1.00 18.43 N ATOM 235 CA PHE A 374 27.047 2.157 11.312 1.00 10.60 C ATOM 236 C PHE A 374 27.324 1.612 12.705 1.00 14.61 C ATOM 237 O PHE A 374 28.421 1.062 12.955 1.00 14.25 O ATOM 238 CB PHE A 374 26.126 1.193 10.563 1.00 15.82 C ATOM 239 CG PHE A 374 26.831 -0.062 10.136 1.00 17.41 C ATOM 240 CD1 PHE A 374 27.094 -1.081 11.051 1.00 20.36 C ATOM 241 CD2 PHE A 374 27.283 -0.203 8.824 1.00 20.74 C ATOM 242 CE1 PHE A 374 27.792 -2.230 10.674 1.00 20.59 C ATOM 243 CE2 PHE A 374 27.980 -1.345 8.438 1.00 19.96 C ATOM 244 CZ PHE A 374 28.235 -2.361 9.371 1.00 21.99 C ATOM 245 H PHE A 374 29.087 1.550 10.978 1.00 0.00 H ATOM 246 N LEU A 375 26.350 1.743 13.604 1.00 14.47 N ATOM 247 CA LEU A 375 26.436 1.097 14.910 1.00 15.02 C ATOM 248 C LEU A 375 26.045 -0.370 14.768 1.00 15.08 C ATOM 249 O LEU A 375 26.707 -1.268 15.312 1.00 14.72 O ATOM 250 CB LEU A 375 25.512 1.787 15.921 1.00 13.78 C ATOM 251 CG LEU A 375 25.843 3.256 16.195 1.00 19.07 C ATOM 252 CD1 LEU A 375 24.679 3.933 16.930 1.00 22.26 C ATOM 253 CD2 LEU A 375 27.135 3.361 17.003 1.00 20.52 C ATOM 254 H LEU A 375 25.514 2.316 13.371 1.00 0.00 H ATOM 255 N GLY A 376 24.975 -0.610 14.011 1.00 12.85 N ATOM 256 CA GLY A 376 24.514 -1.960 13.753 1.00 11.93 C ATOM 257 C GLY A 376 23.124 -2.206 14.300 1.00 14.21 C ATOM 258 O GLY A 376 22.777 -3.345 14.601 1.00 14.87 O ATOM 259 H GLY A 376 24.458 0.191 13.595 1.00 0.00 H ATOM 260 N ILE A 377 22.317 -1.151 14.433 1.00 13.58 N ATOM 261 CA ILE A 377 20.971 -1.314 14.985 1.00 9.74 C ATOM 262 C ILE A 377 19.907 -0.663 14.121 1.00 15.48 C ATOM 263 O ILE A 377 20.204 0.188 13.278 1.00 14.22 O ATOM 264 CB ILE A 377 20.836 -0.670 16.395 1.00 12.51 C ATOM 265 CG1 ILE A 377 21.191 0.827 16.340 1.00 14.69 C ATOM 266 CG2 ILE A 377 21.699 -1.394 17.430 1.00 17.29 C ATOM 267 CD1 ILE A 377 20.869 1.587 17.652 1.00 15.19 C ATOM 268 H ILE A 377 22.646 -0.208 14.143 1.00 0.00 H ATOM 269 N MET A 378 18.660 -1.081 14.341 1.00 11.44 N ATOM 270 CA MET A 378 17.493 -0.330 13.890 1.00 10.43 C ATOM 271 C MET A 378 16.604 -0.132 15.102 1.00 12.23 C ATOM 272 O MET A 378 16.706 -0.882 16.084 1.00 16.01 O ATOM 273 CB MET A 378 16.737 -1.089 12.796 1.00 14.47 C ATOM 274 CG MET A 378 17.504 -1.162 11.503 1.00 16.69 C ATOM 275 SD MET A 378 16.731 -2.304 10.370 1.00 26.18 S ATOM 276 CE MET A 378 17.932 -2.211 9.050 1.00 20.53 C ATOM 277 H MET A 378 18.514 -1.975 14.853 1.00 0.00 H ATOM 278 N VAL A 379 15.741 0.880 15.064 1.00 10.45 N ATOM 279 CA VAL A 379 14.850 1.118 16.181 1.00 10.14 C ATOM 280 C VAL A 379 13.438 1.316 15.675 1.00 10.71 C ATOM 281 O VAL A 379 13.215 1.543 14.477 1.00 12.51 O ATOM 282 CB VAL A 379 15.272 2.348 17.037 1.00 12.99 C ATOM 283 CG1 VAL A 379 16.689 2.155 17.607 1.00 12.86 C ATOM 284 CG2 VAL A 379 15.218 3.634 16.204 1.00 14.20 C ATOM 285 H VAL A 379 15.706 1.501 14.231 1.00 0.00 H ATOM 286 N ILE A 380 12.492 1.192 16.596 1.00 10.71 N ATOM 287 CA ILE A 380 11.102 1.528 16.319 1.00 13.91 C ATOM 288 C ILE A 380 10.580 2.341 17.487 1.00 17.77 C ATOM 289 O ILE A 380 11.161 2.331 18.588 1.00 14.05 O ATOM 290 CB ILE A 380 10.226 0.264 16.132 1.00 14.32 C ATOM 291 CG1 ILE A 380 10.340 -0.667 17.335 1.00 18.45 C ATOM 292 CG2 ILE A 380 10.597 -0.474 14.853 1.00 14.95 C ATOM 293 CD1 ILE A 380 9.266 -1.745 17.356 1.00 34.62 C ATOM 294 H ILE A 380 12.750 0.845 17.542 1.00 0.00 H ATOM 295 N TYR A 381 9.499 3.069 17.256 1.00 13.63 N ATOM 296 CA TYR A 381 8.750 3.619 18.363 1.00 11.38 C ATOM 297 C TYR A 381 7.709 2.564 18.713 1.00 18.38 C ATOM 298 O TYR A 381 6.878 2.209 17.873 1.00 15.62 O ATOM 299 CB TYR A 381 8.047 4.926 17.969 1.00 13.07 C ATOM 300 CG TYR A 381 7.508 5.641 19.175 1.00 15.95 C ATOM 301 CD1 TYR A 381 8.213 6.691 19.761 1.00 20.25 C ATOM 302 CD2 TYR A 381 6.324 5.232 19.771 1.00 14.05 C ATOM 303 CE1 TYR A 381 7.725 7.337 20.903 1.00 14.79 C ATOM 304 CE2 TYR A 381 5.831 5.868 20.906 1.00 17.05 C ATOM 305 CZ TYR A 381 6.536 6.919 21.461 1.00 22.25 C ATOM 306 OH TYR A 381 6.051 7.546 22.589 1.00 25.43 O ATOM 307 HH TYR A 381 6.671 8.271 22.854 1.00 0.00 H ATOM 308 H TYR A 381 9.189 3.245 16.279 1.00 0.00 H ATOM 309 N GLY A 382 7.756 2.058 19.939 1.00 18.16 N ATOM 310 CA GLY A 382 6.875 0.975 20.322 1.00 17.62 C ATOM 311 C GLY A 382 6.395 1.073 21.753 1.00 25.93 C ATOM 312 O GLY A 382 6.483 2.126 22.392 1.00 15.75 O ATOM 313 H GLY A 382 8.431 2.443 20.630 1.00 0.00 H ATOM 314 N LYS A 383 5.882 -0.040 22.261 1.00 22.61 N ATOM 315 CA LYS A 383 5.288 -0.064 23.593 1.00 25.94 C ATOM 316 C LYS A 383 5.666 -1.369 24.275 1.00 29.76 C ATOM 317 O LYS A 383 5.791 -2.411 23.625 1.00 40.77 O ATOM 318 CB LYS A 383 3.762 0.035 23.473 1.00 28.33 C ATOM 319 CG LYS A 383 3.059 0.727 24.632 1.00 47.57 C ATOM 320 CD LYS A 383 1.630 1.076 24.236 1.00 49.34 C ATOM 321 CE LYS A 383 1.112 2.283 25.009 1.00 61.87 C ATOM 322 NZ LYS A 383 -0.065 2.912 24.332 1.00 64.66 N ATOM 323 HZ1 LYS A 383 0.212 3.227 23.380 1.00 0.00 H ATOM 324 HZ2 LYS A 383 -0.834 2.216 24.258 1.00 0.00 H ATOM 325 HZ3 LYS A 383 -0.388 3.729 24.889 1.00 0.00 H ATOM 326 H LYS A 383 5.904 -0.914 21.698 1.00 0.00 H ATOM 327 N HIS A 384 5.871 -1.312 25.585 1.00 24.07 N ATOM 328 CA HIS A 384 6.084 -2.519 26.357 1.00 24.51 C ATOM 329 C HIS A 384 5.213 -2.422 27.597 1.00 25.86 C ATOM 330 O HIS A 384 5.068 -1.345 28.174 1.00 25.44 O ATOM 331 CB HIS A 384 7.551 -2.664 26.743 1.00 28.10 C ATOM 332 CG HIS A 384 7.892 -4.001 27.321 1.00 33.74 C ATOM 333 ND1 HIS A 384 7.627 -4.338 28.632 1.00 37.90 N ATOM 334 CD2 HIS A 384 8.481 -5.084 26.763 1.00 35.19 C ATOM 335 CE1 HIS A 384 8.038 -5.573 28.855 1.00 36.53 C ATOM 336 NE2 HIS A 384 8.558 -6.050 27.741 1.00 32.63 N ATOM 337 H HIS A 384 5.879 -0.389 26.064 1.00 0.00 H ATOM 338 N ALA A 385 4.622 -3.546 27.990 1.00 29.90 N ATOM 339 CA ALA A 385 3.664 -3.575 29.094 1.00 43.17 C ATOM 340 C ALA A 385 4.214 -2.973 30.386 1.00 45.37 C ATOM 341 O ALA A 385 3.474 -2.369 31.165 1.00 45.43 O ATOM 342 CB ALA A 385 3.189 -5.010 29.337 1.00 36.50 C ATOM 343 H ALA A 385 4.848 -4.433 27.496 1.00 0.00 H ATOM 344 N GLU A 386 5.514 -3.137 30.608 1.00 38.59 N ATOM 345 CA GLU A 386 6.112 -2.797 31.896 1.00 39.51 C ATOM 346 C GLU A 386 6.580 -1.352 32.001 1.00 43.65 C ATOM 347 O GLU A 386 6.811 -0.852 33.096 1.00 36.95 O ATOM 348 CB GLU A 386 7.288 -3.729 32.197 1.00 38.11 C ATOM 349 H GLU A 386 6.117 -3.515 29.850 1.00 0.00 H ATOM 350 N VAL A 387 6.709 -0.669 30.874 1.00 23.33 N ATOM 351 CA VAL A 387 7.408 0.602 30.883 1.00 19.55 C ATOM 352 C VAL A 387 6.690 1.678 30.043 1.00 24.34 C ATOM 353 O VAL A 387 6.975 2.880 30.159 1.00 35.14 O ATOM 354 CB VAL A 387 8.816 0.288 30.368 1.00 27.73 C ATOM 355 CG1 VAL A 387 9.212 1.114 29.213 1.00 40.09 C ATOM 356 CG2 VAL A 387 9.842 0.043 31.477 1.00 35.71 C ATOM 357 H VAL A 387 6.312 -1.041 29.988 1.00 0.00 H ATOM 358 N GLY A 388 5.755 1.244 29.201 1.00 29.42 N ATOM 359 CA GLY A 388 5.011 2.171 28.363 1.00 27.08 C ATOM 360 C GLY A 388 5.642 2.368 26.994 1.00 26.77 C ATOM 361 O GLY A 388 6.371 1.493 26.512 1.00 19.25 O ATOM 362 H GLY A 388 5.553 0.226 29.141 1.00 0.00 H ATOM 363 N SER A 389 5.354 3.511 26.368 1.00 21.23 N ATOM 364 CA SER A 389 5.842 3.810 25.020 1.00 16.04 C ATOM 365 C SER A 389 7.249 4.390 25.043 1.00 17.34 C ATOM 366 O SER A 389 7.680 4.973 26.042 1.00 20.92 O ATOM 367 CB SER A 389 4.902 4.782 24.306 1.00 18.99 C ATOM 368 OG SER A 389 3.665 4.154 24.015 1.00 28.73 O ATOM 369 HG SER A 389 3.070 4.797 23.554 1.00 0.00 H ATOM 370 H SER A 389 4.762 4.214 26.855 1.00 0.00 H ATOM 371 N GLY A 390 7.956 4.225 23.933 1.00 14.95 N ATOM 372 CA GLY A 390 9.285 4.782 23.786 1.00 14.48 C ATOM 373 C GLY A 390 10.004 4.162 22.610 1.00 14.37 C ATOM 374 O GLY A 390 9.367 3.573 21.730 1.00 15.69 O ATOM 375 H GLY A 390 7.545 3.681 23.147 1.00 0.00 H ATOM 376 N ILE A 391 11.333 4.291 22.601 1.00 10.81 N ATOM 377 CA ILE A 391 12.150 3.818 21.491 1.00 10.02 C ATOM 378 C ILE A 391 12.786 2.486 21.874 1.00 14.86 C ATOM 379 O ILE A 391 13.396 2.367 22.941 1.00 14.10 O ATOM 380 CB ILE A 391 13.272 4.826 21.169 1.00 10.31 C ATOM 381 CG1 ILE A 391 12.659 6.207 20.886 1.00 14.77 C ATOM 382 CG2 ILE A 391 14.124 4.339 19.991 1.00 13.84 C ATOM 383 CD1 ILE A 391 11.870 6.289 19.564 1.00 18.76 C ATOM 384 H ILE A 391 11.800 4.744 23.412 1.00 0.00 H ATOM 385 N PHE A 392 12.648 1.488 21.004 1.00 11.61 N ATOM 386 CA PHE A 392 13.183 0.152 21.285 1.00 14.69 C ATOM 387 C PHE A 392 14.061 -0.333 20.147 1.00 13.16 C ATOM 388 O PHE A 392 13.799 -0.053 18.982 1.00 12.63 O ATOM 389 CB PHE A 392 12.041 -0.847 21.502 1.00 10.90 C ATOM 390 CG PHE A 392 11.192 -0.536 22.701 1.00 11.00 C ATOM 391 CD1 PHE A 392 10.128 0.353 22.603 1.00 13.07 C ATOM 392 CD2 PHE A 392 11.463 -1.122 23.929 1.00 17.13 C ATOM 393 CE1 PHE A 392 9.347 0.652 23.710 1.00 14.06 C ATOM 394 CE2 PHE A 392 10.676 -0.835 25.048 1.00 14.82 C ATOM 395 CZ PHE A 392 9.615 0.055 24.934 1.00 17.74 C ATOM 396 H PHE A 392 12.151 1.659 20.107 1.00 0.00 H ATOM 397 N ILE A 393 15.123 -1.057 20.480 1.00 13.35 N ATOM 398 CA ILE A 393 15.928 -1.700 19.448 1.00 10.27 C ATOM 399 C ILE A 393 15.060 -2.748 18.753 1.00 13.19 C ATOM 400 O ILE A 393 14.454 -3.587 19.423 1.00 14.97 O ATOM 401 CB ILE A 393 17.161 -2.403 20.050 1.00 11.58 C ATOM 402 CG1 ILE A 393 17.991 -1.419 20.883 1.00 16.73 C ATOM 403 CG2 ILE A 393 18.008 -3.055 18.946 1.00 11.33 C ATOM 404 CD1 ILE A 393 18.551 -0.243 20.070 1.00 16.39 C ATOM 405 H ILE A 393 15.382 -1.166 21.481 1.00 0.00 H ATOM 406 N SER A 394 15.003 -2.706 17.421 1.00 10.89 N ATOM 407 CA SER A 394 14.117 -3.591 16.663 1.00 13.66 C ATOM 408 C SER A 394 14.885 -4.582 15.796 1.00 16.20 C ATOM 409 O SER A 394 14.334 -5.585 15.349 1.00 14.84 O ATOM 410 CB SER A 394 13.172 -2.767 15.791 1.00 12.72 C ATOM 411 OG SER A 394 13.903 -1.989 14.858 1.00 14.53 O ATOM 412 HG SER A 394 13.274 -1.463 14.303 1.00 0.00 H ATOM 413 H SER A 394 15.603 -2.028 16.909 1.00 0.00 H ATOM 414 N ASP A 395 16.156 -4.295 15.538 1.00 15.56 N ATOM 415 CA ASP A 395 16.973 -5.241 14.799 1.00 15.08 C ATOM 416 C ASP A 395 18.426 -4.980 15.107 1.00 12.46 C ATOM 417 O ASP A 395 18.793 -3.917 15.613 1.00 11.98 O ATOM 418 CB ASP A 395 16.697 -5.168 13.284 1.00 13.63 C ATOM 419 CG ASP A 395 16.949 -6.492 12.577 1.00 21.52 C ATOM 420 OD1 ASP A 395 17.637 -7.369 13.145 1.00 20.25 O ATOM 421 OD2 ASP A 395 16.452 -6.667 11.444 1.00 25.03 O ATOM 422 H ASP A 395 16.565 -3.396 15.864 1.00 0.00 H ATOM 423 N LEU A 396 19.259 -5.967 14.814 1.00 12.12 N ATOM 424 CA LEU A 396 20.659 -5.913 15.196 1.00 13.20 C ATOM 425 C LEU A 396 21.424 -6.590 14.079 1.00 14.13 C ATOM 426 O LEU A 396 21.029 -7.668 13.621 1.00 17.36 O ATOM 427 CB LEU A 396 20.850 -6.667 16.518 1.00 17.28 C ATOM 428 CG LEU A 396 22.231 -6.713 17.150 1.00 23.23 C ATOM 429 CD1 LEU A 396 22.615 -5.334 17.651 1.00 19.00 C ATOM 430 CD2 LEU A 396 22.204 -7.721 18.292 1.00 20.83 C ATOM 431 H LEU A 396 18.903 -6.798 14.300 1.00 0.00 H ATOM 432 N ARG A 397 22.491 -5.953 13.610 1.00 14.44 N ATOM 433 CA ARG A 397 23.237 -6.471 12.464 1.00 13.48 C ATOM 434 C ARG A 397 24.319 -7.442 12.906 1.00 23.27 C ATOM 435 O ARG A 397 25.140 -7.122 13.771 1.00 15.27 O ATOM 436 CB ARG A 397 23.874 -5.314 11.692 1.00 11.16 C ATOM 437 CG ARG A 397 24.757 -5.765 10.514 1.00 15.00 C ATOM 438 CD ARG A 397 25.142 -4.571 9.662 1.00 14.04 C ATOM 439 NE ARG A 397 26.223 -4.884 8.731 1.00 15.62 N ATOM 440 CZ ARG A 397 26.419 -4.243 7.582 1.00 17.73 C ATOM 441 NH1 ARG A 397 25.604 -3.250 7.227 1.00 17.35 N ATOM 442 NH2 ARG A 397 27.436 -4.583 6.801 1.00 18.94 N ATOM 443 HE ARG A 397 26.877 -5.653 8.981 1.00 0.00 H ATOM 444 HH12 ARG A 397 25.756 -2.748 6.329 1.00 0.00 H ATOM 445 HH11 ARG A 397 24.816 -2.977 7.848 1.00 0.00 H ATOM 446 HH22 ARG A 397 27.591 -4.083 5.902 1.00 0.00 H ATOM 447 HH21 ARG A 397 28.078 -5.349 7.087 1.00 0.00 H ATOM 448 H ARG A 397 22.801 -5.071 14.066 1.00 0.00 H ATOM 449 N GLU A 398 24.329 -8.630 12.308 1.00 17.05 N ATOM 450 CA GLU A 398 25.325 -9.640 12.666 1.00 19.28 C ATOM 451 C GLU A 398 26.752 -9.131 12.441 1.00 21.65 C ATOM 452 O GLU A 398 27.051 -8.532 11.401 1.00 18.63 O ATOM 453 CB GLU A 398 25.078 -10.924 11.868 1.00 24.22 C ATOM 454 CG GLU A 398 25.897 -12.116 12.331 1.00 47.63 C ATOM 455 CD GLU A 398 25.562 -13.372 11.558 1.00 63.17 C ATOM 456 OE1 GLU A 398 24.711 -13.296 10.642 1.00 47.92 O ATOM 457 OE2 GLU A 398 26.145 -14.433 11.871 1.00 68.37 O ATOM 458 H GLU A 398 23.620 -8.843 11.577 1.00 0.00 H ATOM 459 N GLY A 399 27.620 -9.357 13.426 1.00 21.56 N ATOM 460 CA GLY A 399 29.012 -8.953 13.334 1.00 23.88 C ATOM 461 C GLY A 399 29.281 -7.488 13.643 1.00 24.24 C ATOM 462 O GLY A 399 30.436 -7.061 13.657 1.00 22.63 O ATOM 463 H GLY A 399 27.291 -9.838 14.287 1.00 0.00 H ATOM 464 N SER A 400 28.225 -6.717 13.892 1.00 16.70 N ATOM 465 CA SER A 400 28.361 -5.277 14.111 1.00 15.33 C ATOM 466 C SER A 400 28.891 -4.962 15.514 1.00 18.47 C ATOM 467 O SER A 400 28.893 -5.821 16.404 1.00 14.57 O ATOM 468 CB SER A 400 27.013 -4.580 13.900 1.00 14.16 C ATOM 469 OG SER A 400 26.103 -4.921 14.945 1.00 14.79 O ATOM 470 HG SER A 400 25.961 -5.901 14.951 1.00 0.00 H ATOM 471 H SER A 400 27.280 -7.149 13.932 1.00 0.00 H ATOM 472 N ASN A 401 29.346 -3.727 15.713 1.00 13.95 N ATOM 473 CA ASN A 401 29.836 -3.305 17.024 1.00 15.14 C ATOM 474 C ASN A 401 28.726 -3.274 18.071 1.00 14.69 C ATOM 475 O ASN A 401 28.984 -3.502 19.257 1.00 15.55 O ATOM 476 CB ASN A 401 30.514 -1.938 16.925 1.00 14.85 C ATOM 477 CG ASN A 401 31.791 -1.984 16.111 1.00 23.15 C ATOM 478 OD1 ASN A 401 32.353 -3.057 15.868 1.00 19.72 O ATOM 479 ND2 ASN A 401 32.264 -0.817 15.694 1.00 15.47 N ATOM 480 HD22 ASN A 401 31.757 0.061 15.923 1.00 0.00 H ATOM 481 HD21 ASN A 401 33.142 -0.781 15.138 1.00 0.00 H ATOM 482 H ASN A 401 29.353 -3.051 14.923 1.00 0.00 H ATOM 483 N ALA A 402 27.491 -2.986 17.650 1.00 11.93 N ATOM 484 CA ALA A 402 26.388 -3.027 18.603 1.00 13.33 C ATOM 485 C ALA A 402 26.180 -4.450 19.100 1.00 12.39 C ATOM 486 O ALA A 402 25.949 -4.668 20.291 1.00 13.35 O ATOM 487 CB ALA A 402 25.099 -2.484 17.990 1.00 11.26 C ATOM 488 H ALA A 402 27.319 -2.736 16.655 1.00 0.00 H ATOM 489 N GLU A 403 26.259 -5.422 18.195 1.00 12.54 N ATOM 490 CA GLU A 403 26.096 -6.816 18.612 1.00 17.55 C ATOM 491 C GLU A 403 27.222 -7.206 19.572 1.00 18.71 C ATOM 492 O GLU A 403 26.984 -7.829 20.615 1.00 17.30 O ATOM 493 CB GLU A 403 26.074 -7.754 17.402 1.00 19.69 C ATOM 494 CG GLU A 403 25.780 -9.208 17.767 1.00 24.37 C ATOM 495 CD GLU A 403 25.955 -10.165 16.605 1.00 37.50 C ATOM 496 OE1 GLU A 403 25.042 -10.991 16.377 1.00 39.36 O ATOM 497 OE2 GLU A 403 27.010 -10.108 15.932 1.00 32.77 O ATOM 498 H GLU A 403 26.436 -5.193 17.196 1.00 0.00 H ATOM 499 N LEU A 404 28.448 -6.822 19.221 1.00 14.12 N ATOM 500 CA LEU A 404 29.609 -7.122 20.057 1.00 14.61 C ATOM 501 C LEU A 404 29.533 -6.515 21.456 1.00 20.10 C ATOM 502 O LEU A 404 30.081 -7.087 22.403 1.00 19.00 O ATOM 503 CB LEU A 404 30.897 -6.686 19.350 1.00 16.79 C ATOM 504 CG LEU A 404 31.224 -7.561 18.137 1.00 30.97 C ATOM 505 CD1 LEU A 404 32.316 -6.944 17.280 1.00 36.30 C ATOM 506 CD2 LEU A 404 31.633 -8.954 18.601 1.00 34.49 C ATOM 507 H LEU A 404 28.582 -6.297 18.333 1.00 0.00 H ATOM 508 N ALA A 405 28.853 -5.374 21.582 1.00 14.11 N ATOM 509 CA ALA A 405 28.730 -4.665 22.861 1.00 15.25 C ATOM 510 C ALA A 405 27.575 -5.160 23.716 1.00 18.06 C ATOM 511 O ALA A 405 27.372 -4.683 24.836 1.00 19.58 O ATOM 512 CB ALA A 405 28.583 -3.169 22.627 1.00 17.84 C ATOM 513 H ALA A 405 28.392 -4.971 20.741 1.00 0.00 H ATOM 514 N GLY A 406 26.798 -6.099 23.193 1.00 18.48 N ATOM 515 CA GLY A 406 25.720 -6.672 23.982 1.00 14.66 C ATOM 516 C GLY A 406 24.386 -5.951 23.877 1.00 16.71 C ATOM 517 O GLY A 406 23.521 -6.133 24.737 1.00 18.00 O ATOM 518 H GLY A 406 26.960 -6.425 22.219 1.00 0.00 H ATOM 519 N VAL A 407 24.205 -5.139 22.838 1.00 14.60 N ATOM 520 CA VAL A 407 22.883 -4.563 22.569 1.00 14.25 C ATOM 521 C VAL A 407 21.978 -5.727 22.168 1.00 13.75 C ATOM 522 O VAL A 407 22.412 -6.604 21.407 1.00 16.19 O ATOM 523 CB VAL A 407 22.952 -3.547 21.417 1.00 11.86 C ATOM 524 CG1 VAL A 407 21.560 -2.964 21.101 1.00 13.01 C ATOM 525 CG2 VAL A 407 23.953 -2.440 21.757 1.00 14.12 C ATOM 526 H VAL A 407 25.005 -4.912 22.214 1.00 0.00 H ATOM 527 N LYS A 408 20.747 -5.761 22.687 1.00 12.81 N ATOM 528 CA LYS A 408 19.814 -6.832 22.340 1.00 15.79 C ATOM 529 C LYS A 408 18.568 -6.271 21.682 1.00 17.91 C ATOM 530 O LYS A 408 18.110 -5.175 22.038 1.00 16.36 O ATOM 531 CB LYS A 408 19.381 -7.617 23.585 1.00 15.13 C ATOM 532 CG LYS A 408 20.527 -8.190 24.391 1.00 21.44 C ATOM 533 CD LYS A 408 21.447 -9.039 23.532 1.00 39.60 C ATOM 534 CE LYS A 408 22.589 -9.603 24.374 1.00 64.34 C ATOM 535 NZ LYS A 408 23.730 -10.070 23.539 1.00 71.21 N ATOM 536 HZ1 LYS A 408 23.403 -10.819 22.895 1.00 0.00 H ATOM 537 HZ2 LYS A 408 24.101 -9.272 22.985 1.00 0.00 H ATOM 538 HZ3 LYS A 408 24.479 -10.444 24.156 1.00 0.00 H ATOM 539 H LYS A 408 20.448 -5.015 23.347 1.00 0.00 H ATOM 540 N VAL A 409 18.026 -7.020 20.723 1.00 15.07 N ATOM 541 CA VAL A 409 16.726 -6.680 20.149 1.00 13.21 C ATOM 542 C VAL A 409 15.702 -6.653 21.277 1.00 15.31 C ATOM 543 O VAL A 409 15.672 -7.559 22.120 1.00 17.19 O ATOM 544 CB VAL A 409 16.297 -7.688 19.057 1.00 18.21 C ATOM 545 CG1 VAL A 409 14.878 -7.402 18.571 1.00 17.30 C ATOM 546 CG2 VAL A 409 17.284 -7.654 17.880 1.00 18.75 C ATOM 547 H VAL A 409 18.535 -7.859 20.378 1.00 0.00 H ATOM 548 N GLY A 410 14.876 -5.607 21.301 1.00 15.69 N ATOM 549 CA GLY A 410 13.878 -5.451 22.347 1.00 15.19 C ATOM 550 C GLY A 410 14.308 -4.501 23.456 1.00 17.92 C ATOM 551 O GLY A 410 13.472 -4.073 24.256 1.00 18.08 O ATOM 552 H GLY A 410 14.947 -4.886 20.555 1.00 0.00 H ATOM 553 N ASP A 411 15.602 -4.177 23.526 1.00 15.23 N ATOM 554 CA ASP A 411 16.087 -3.260 24.568 1.00 14.01 C ATOM 555 C ASP A 411 15.447 -1.889 24.395 1.00 12.58 C ATOM 556 O ASP A 411 15.269 -1.430 23.260 1.00 13.51 O ATOM 557 CB ASP A 411 17.600 -3.068 24.477 1.00 16.35 C ATOM 558 CG ASP A 411 18.385 -4.222 25.059 1.00 20.18 C ATOM 559 OD1 ASP A 411 17.771 -5.146 25.643 1.00 20.31 O ATOM 560 OD2 ASP A 411 19.636 -4.189 24.940 1.00 15.27 O ATOM 561 H ASP A 411 16.272 -4.577 22.838 1.00 0.00 H ATOM 562 N MET A 412 15.109 -1.225 25.498 1.00 11.87 N ATOM 563 CA MET A 412 14.608 0.151 25.395 1.00 10.03 C ATOM 564 C MET A 412 15.796 1.100 25.370 1.00 16.04 C ATOM 565 O MET A 412 16.715 0.961 26.171 1.00 14.10 O ATOM 566 CB MET A 412 13.709 0.486 26.585 1.00 11.26 C ATOM 567 CG MET A 412 12.945 1.805 26.463 1.00 14.21 C ATOM 568 SD MET A 412 11.990 2.117 27.974 1.00 23.09 S ATOM 569 CE MET A 412 11.046 3.559 27.440 1.00 30.84 C ATOM 570 H MET A 412 15.199 -1.679 26.429 1.00 0.00 H ATOM 571 N LEU A 413 15.782 2.052 24.442 1.00 10.77 N ATOM 572 CA LEU A 413 16.860 3.027 24.299 1.00 9.97 C ATOM 573 C LEU A 413 16.511 4.282 25.090 1.00 14.94 C ATOM 574 O LEU A 413 15.532 4.981 24.769 1.00 14.86 O ATOM 575 CB LEU A 413 17.060 3.372 22.812 1.00 10.86 C ATOM 576 CG LEU A 413 18.102 4.456 22.542 1.00 10.81 C ATOM 577 CD1 LEU A 413 19.497 3.996 22.951 1.00 14.64 C ATOM 578 CD2 LEU A 413 18.078 4.859 21.065 1.00 12.35 C ATOM 579 H LEU A 413 14.972 2.104 23.792 1.00 0.00 H ATOM 580 N LEU A 414 17.297 4.557 26.132 1.00 12.54 N ATOM 581 CA LEU A 414 16.959 5.612 27.085 1.00 12.95 C ATOM 582 C LEU A 414 17.789 6.890 26.911 1.00 11.12 C ATOM 583 O LEU A 414 17.339 7.976 27.276 1.00 12.81 O ATOM 584 CB LEU A 414 17.092 5.081 28.514 1.00 10.25 C ATOM 585 CG LEU A 414 16.225 3.846 28.786 1.00 13.94 C ATOM 586 CD1 LEU A 414 16.574 3.228 30.135 1.00 17.87 C ATOM 587 CD2 LEU A 414 14.763 4.219 28.758 1.00 21.08 C ATOM 588 H LEU A 414 18.170 4.008 26.269 1.00 0.00 H ATOM 589 N ALA A 415 18.989 6.767 26.356 1.00 10.92 N ATOM 590 CA ALA A 415 19.792 7.948 26.020 1.00 10.37 C ATOM 591 C ALA A 415 20.799 7.653 24.924 1.00 12.31 C ATOM 592 O ALA A 415 21.252 6.517 24.778 1.00 13.29 O ATOM 593 CB ALA A 415 20.511 8.474 27.253 1.00 14.92 C ATOM 594 H ALA A 415 19.366 5.818 26.156 1.00 0.00 H ATOM 595 N VAL A 416 21.146 8.688 24.164 1.00 11.99 N ATOM 596 CA VAL A 416 22.228 8.618 23.182 1.00 13.65 C ATOM 597 C VAL A 416 23.202 9.725 23.550 1.00 14.42 C ATOM 598 O VAL A 416 22.849 10.907 23.461 1.00 12.45 O ATOM 599 CB VAL A 416 21.703 8.853 21.766 1.00 10.87 C ATOM 600 CG1 VAL A 416 22.867 8.842 20.754 1.00 12.88 C ATOM 601 CG2 VAL A 416 20.677 7.786 21.410 1.00 14.73 C ATOM 602 H VAL A 416 20.627 9.583 24.272 1.00 0.00 H ATOM 603 N ASN A 417 24.417 9.349 23.952 1.00 10.36 N ATOM 604 CA ASN A 417 25.358 10.312 24.527 1.00 12.47 C ATOM 605 C ASN A 417 24.655 11.096 25.629 1.00 17.39 C ATOM 606 O ASN A 417 24.044 10.483 26.503 1.00 16.75 O ATOM 607 CB ASN A 417 25.991 11.215 23.457 1.00 13.33 C ATOM 608 CG ASN A 417 26.947 10.453 22.548 1.00 15.03 C ATOM 609 OD1 ASN A 417 27.581 9.484 22.970 1.00 16.51 O ATOM 610 ND2 ASN A 417 27.050 10.880 21.293 1.00 16.22 N ATOM 611 HD22 ASN A 417 26.497 11.702 20.976 1.00 0.00 H ATOM 612 HD21 ASN A 417 27.683 10.392 20.628 1.00 0.00 H ATOM 613 H ASN A 417 24.701 8.353 23.855 1.00 0.00 H ATOM 614 N GLN A 418 24.699 12.426 25.590 1.00 14.53 N ATOM 615 CA GLN A 418 24.052 13.204 26.654 1.00 17.82 C ATOM 616 C GLN A 418 22.600 13.582 26.351 1.00 22.01 C ATOM 617 O GLN A 418 21.979 14.326 27.112 1.00 21.86 O ATOM 618 CB GLN A 418 24.871 14.456 26.988 1.00 27.72 C ATOM 619 CG GLN A 418 26.051 14.193 27.921 1.00 35.38 C ATOM 620 CD GLN A 418 25.608 13.897 29.350 1.00 47.19 C ATOM 621 OE1 GLN A 418 25.132 14.786 30.065 1.00 45.87 O ATOM 622 NE2 GLN A 418 25.755 12.643 29.768 1.00 42.36 N ATOM 623 HE22 GLN A 418 26.160 11.927 29.132 1.00 0.00 H ATOM 624 HE21 GLN A 418 25.464 12.378 30.731 1.00 0.00 H ATOM 625 H GLN A 418 25.188 12.911 24.811 1.00 0.00 H ATOM 626 N ASP A 419 22.058 13.077 25.248 1.00 18.40 N ATOM 627 CA ASP A 419 20.658 13.353 24.906 1.00 15.10 C ATOM 628 C ASP A 419 19.705 12.250 25.381 1.00 16.64 C ATOM 629 O ASP A 419 19.765 11.112 24.913 1.00 17.59 O ATOM 630 CB ASP A 419 20.508 13.573 23.403 1.00 14.43 C ATOM 631 CG ASP A 419 21.244 14.812 22.919 1.00 33.71 C ATOM 632 OD1 ASP A 419 20.748 15.933 23.167 1.00 31.06 O ATOM 633 OD2 ASP A 419 22.315 14.666 22.286 1.00 34.28 O ATOM 634 H ASP A 419 22.632 12.479 24.620 1.00 0.00 H ATOM 635 N VAL A 420 18.817 12.599 26.305 1.00 16.13 N ATOM 636 CA VAL A 420 17.846 11.644 26.836 1.00 16.41 C ATOM 637 C VAL A 420 16.793 11.317 25.774 1.00 19.44 C ATOM 638 O VAL A 420 16.255 12.223 25.130 1.00 18.89 O ATOM 639 CB VAL A 420 17.162 12.208 28.095 1.00 17.88 C ATOM 640 CG1 VAL A 420 16.015 11.307 28.538 1.00 18.86 C ATOM 641 CG2 VAL A 420 18.188 12.372 29.218 1.00 20.26 C ATOM 642 H VAL A 420 18.812 13.577 26.660 1.00 0.00 H ATOM 643 N THR A 421 16.508 10.029 25.571 1.00 14.42 N ATOM 644 CA THR A 421 15.552 9.624 24.534 1.00 15.73 C ATOM 645 C THR A 421 14.267 9.033 25.101 1.00 19.98 C ATOM 646 O THR A 421 13.453 8.475 24.366 1.00 18.92 O ATOM 647 CB THR A 421 16.167 8.625 23.536 1.00 19.98 C ATOM 648 OG1 THR A 421 16.741 7.526 24.256 1.00 20.43 O ATOM 649 CG2 THR A 421 17.260 9.305 22.703 1.00 19.62 C ATOM 650 HG1 THR A 421 16.036 7.075 24.784 1.00 0.00 H ATOM 651 H THR A 421 16.969 9.303 26.155 1.00 0.00 H ATOM 652 N LEU A 422 14.083 9.188 26.406 1.00 16.55 N ATOM 653 CA LEU A 422 12.878 8.718 27.074 1.00 20.74 C ATOM 654 C LEU A 422 11.616 9.295 26.458 1.00 18.67 C ATOM 655 O LEU A 422 10.596 8.610 26.361 1.00 28.20 O ATOM 656 CB LEU A 422 12.922 9.092 28.555 1.00 23.18 C ATOM 657 CG LEU A 422 13.402 7.998 29.494 1.00 46.21 C ATOM 658 CD1 LEU A 422 13.577 8.561 30.897 1.00 42.28 C ATOM 659 CD2 LEU A 422 12.381 6.859 29.477 1.00 49.31 C ATOM 660 H LEU A 422 14.821 9.659 26.968 1.00 0.00 H ATOM 661 N GLU A 423 11.686 10.554 26.031 1.00 21.44 N ATOM 662 CA GLU A 423 10.515 11.208 25.454 1.00 22.48 C ATOM 663 C GLU A 423 10.669 11.522 23.964 1.00 22.97 C ATOM 664 O GLU A 423 9.868 12.274 23.402 1.00 21.30 O ATOM 665 CB GLU A 423 10.194 12.491 26.229 1.00 24.70 C ATOM 666 CG GLU A 423 10.030 12.297 27.744 1.00 27.30 C ATOM 667 CD GLU A 423 8.759 11.545 28.117 1.00 46.42 C ATOM 668 OE1 GLU A 423 7.825 11.480 27.288 1.00 38.62 O ATOM 669 OE2 GLU A 423 8.688 11.024 29.251 1.00 52.92 O ATOM 670 H GLU A 423 12.582 11.076 26.109 1.00 0.00 H ATOM 671 N SER A 424 11.679 10.937 23.323 1.00 16.09 N ATOM 672 CA SER A 424 11.942 11.215 21.909 1.00 13.11 C ATOM 673 C SER A 424 10.947 10.507 21.002 1.00 16.29 C ATOM 674 O SER A 424 10.540 9.373 21.284 1.00 17.92 O ATOM 675 CB SER A 424 13.351 10.767 21.529 1.00 14.67 C ATOM 676 OG SER A 424 14.314 11.497 22.269 1.00 21.98 O ATOM 677 HG SER A 424 14.217 12.462 22.073 1.00 0.00 H ATOM 678 H SER A 424 12.292 10.271 23.835 1.00 0.00 H ATOM 679 N ASN A 425 10.560 11.171 19.917 1.00 14.10 N ATOM 680 CA ASN A 425 9.800 10.495 18.873 1.00 12.59 C ATOM 681 C ASN A 425 10.765 9.781 17.927 1.00 17.37 C ATOM 682 O ASN A 425 11.988 9.837 18.119 1.00 14.89 O ATOM 683 CB ASN A 425 8.871 11.466 18.130 1.00 19.14 C ATOM 684 CG ASN A 425 9.620 12.569 17.383 1.00 21.54 C ATOM 685 OD1 ASN A 425 10.746 12.383 16.918 1.00 18.84 O ATOM 686 ND2 ASN A 425 8.959 13.720 17.221 1.00 28.01 N ATOM 687 HD22 ASN A 425 8.010 13.837 17.630 1.00 0.00 H ATOM 688 HD21 ASN A 425 9.394 14.499 16.686 1.00 0.00 H ATOM 689 H ASN A 425 10.801 12.177 19.813 1.00 0.00 H ATOM 690 N TYR A 426 10.225 9.107 16.920 1.00 12.05 N ATOM 691 CA TYR A 426 11.047 8.306 16.020 1.00 13.67 C ATOM 692 C TYR A 426 12.041 9.174 15.242 1.00 15.21 C ATOM 693 O TYR A 426 13.219 8.823 15.119 1.00 13.17 O ATOM 694 CB TYR A 426 10.158 7.511 15.053 1.00 10.86 C ATOM 695 CG TYR A 426 10.951 6.601 14.137 1.00 10.66 C ATOM 696 CD1 TYR A 426 11.323 5.323 14.543 1.00 13.28 C ATOM 697 CD2 TYR A 426 11.346 7.027 12.879 1.00 10.94 C ATOM 698 CE1 TYR A 426 12.075 4.490 13.702 1.00 11.04 C ATOM 699 CE2 TYR A 426 12.092 6.200 12.036 1.00 10.84 C ATOM 700 CZ TYR A 426 12.444 4.934 12.453 1.00 13.41 C ATOM 701 OH TYR A 426 13.197 4.120 11.615 1.00 14.77 O ATOM 702 HH TYR A 426 13.362 3.252 12.061 1.00 0.00 H ATOM 703 H TYR A 426 9.197 9.151 16.770 1.00 0.00 H ATOM 704 N ASP A 427 11.573 10.304 14.718 1.00 12.38 N ATOM 705 CA ASP A 427 12.441 11.175 13.923 1.00 14.94 C ATOM 706 C ASP A 427 13.600 11.705 14.752 1.00 16.24 C ATOM 707 O ASP A 427 14.745 11.758 14.291 1.00 16.93 O ATOM 708 CB ASP A 427 11.654 12.362 13.361 1.00 18.19 C ATOM 709 CG ASP A 427 10.644 11.953 12.313 1.00 31.97 C ATOM 710 OD1 ASP A 427 10.730 10.820 11.799 1.00 24.77 O ATOM 711 OD2 ASP A 427 9.765 12.781 12.002 1.00 30.49 O ATOM 712 H ASP A 427 10.580 10.571 14.875 1.00 0.00 H ATOM 713 N ASP A 428 13.307 12.114 15.980 1.00 14.77 N ATOM 714 CA ASP A 428 14.343 12.684 16.827 1.00 13.71 C ATOM 715 C ASP A 428 15.360 11.647 17.284 1.00 16.55 C ATOM 716 O ASP A 428 16.560 11.917 17.272 1.00 14.38 O ATOM 717 CB ASP A 428 13.731 13.422 18.022 1.00 18.63 C ATOM 718 CG ASP A 428 12.961 14.665 17.600 1.00 33.86 C ATOM 719 OD1 ASP A 428 13.129 15.105 16.438 1.00 50.09 O ATOM 720 OD2 ASP A 428 12.194 15.201 18.427 1.00 41.82 O ATOM 721 H ASP A 428 12.334 12.027 16.338 1.00 0.00 H ATOM 722 N ALA A 429 14.895 10.461 17.667 1.00 11.45 N ATOM 723 CA ALA A 429 15.816 9.408 18.123 1.00 12.79 C ATOM 724 C ALA A 429 16.716 8.910 16.999 1.00 18.51 C ATOM 725 O ALA A 429 17.936 8.775 17.177 1.00 14.71 O ATOM 726 CB ALA A 429 15.047 8.239 18.734 1.00 15.01 C ATOM 727 H ALA A 429 13.872 10.276 17.644 1.00 0.00 H ATOM 728 N THR A 430 16.130 8.628 15.841 1.00 13.13 N ATOM 729 CA THR A 430 16.945 8.206 14.702 1.00 13.63 C ATOM 730 C THR A 430 17.903 9.317 14.286 1.00 16.32 C ATOM 731 O THR A 430 19.030 9.039 13.883 1.00 15.25 O ATOM 732 CB THR A 430 16.095 7.736 13.495 1.00 17.08 C ATOM 733 OG1 THR A 430 15.170 8.759 13.119 1.00 15.19 O ATOM 734 CG2 THR A 430 15.330 6.469 13.860 1.00 10.89 C ATOM 735 HG1 THR A 430 14.571 8.957 13.882 1.00 0.00 H ATOM 736 H THR A 430 15.097 8.707 15.745 1.00 0.00 H ATOM 737 N GLY A 431 17.462 10.569 14.396 1.00 12.96 N ATOM 738 CA GLY A 431 18.334 11.694 14.096 1.00 14.90 C ATOM 739 C GLY A 431 19.556 11.719 15.004 1.00 15.04 C ATOM 740 O GLY A 431 20.675 11.942 14.547 1.00 15.79 O ATOM 741 H GLY A 431 16.483 10.744 14.700 1.00 0.00 H ATOM 742 N LEU A 432 19.347 11.481 16.298 1.00 14.14 N ATOM 743 CA LEU A 432 20.456 11.459 17.243 1.00 11.82 C ATOM 744 C LEU A 432 21.421 10.336 16.897 1.00 10.15 C ATOM 745 O LEU A 432 22.636 10.522 16.922 1.00 13.47 O ATOM 746 CB LEU A 432 19.932 11.279 18.673 1.00 10.25 C ATOM 747 CG LEU A 432 19.162 12.466 19.269 1.00 15.75 C ATOM 748 CD1 LEU A 432 18.415 12.039 20.533 1.00 18.65 C ATOM 749 CD2 LEU A 432 20.109 13.613 19.590 1.00 19.95 C ATOM 750 H LEU A 432 18.379 11.309 16.638 1.00 0.00 H ATOM 751 N LEU A 433 20.885 9.165 16.568 1.00 12.08 N ATOM 752 CA LEU A 433 21.743 8.019 16.258 1.00 12.94 C ATOM 753 C LEU A 433 22.535 8.243 14.977 1.00 17.23 C ATOM 754 O LEU A 433 23.723 7.913 14.908 1.00 14.22 O ATOM 755 CB LEU A 433 20.917 6.730 16.174 1.00 10.23 C ATOM 756 CG LEU A 433 20.332 6.289 17.512 1.00 12.95 C ATOM 757 CD1 LEU A 433 19.212 5.290 17.268 1.00 12.94 C ATOM 758 CD2 LEU A 433 21.446 5.703 18.395 1.00 13.51 C ATOM 759 H LEU A 433 19.851 9.062 16.530 1.00 0.00 H ATOM 760 N LYS A 434 21.894 8.836 13.972 1.00 10.23 N ATOM 761 CA LYS A 434 22.567 9.096 12.702 1.00 10.41 C ATOM 762 C LYS A 434 23.663 10.147 12.816 1.00 17.04 C ATOM 763 O LYS A 434 24.712 10.010 12.195 1.00 17.82 O ATOM 764 CB LYS A 434 21.552 9.514 11.639 1.00 15.00 C ATOM 765 CG LYS A 434 20.584 8.409 11.276 1.00 23.76 C ATOM 766 CD LYS A 434 19.419 8.952 10.453 1.00 38.06 C ATOM 767 CE LYS A 434 19.787 9.099 8.988 1.00 55.21 C ATOM 768 NZ LYS A 434 19.363 7.917 8.188 1.00 58.77 N ATOM 769 HZ1 LYS A 434 19.830 7.064 8.558 1.00 0.00 H ATOM 770 HZ2 LYS A 434 18.331 7.806 8.256 1.00 0.00 H ATOM 771 HZ3 LYS A 434 19.633 8.058 7.194 1.00 0.00 H ATOM 772 H LYS A 434 20.900 9.118 14.093 1.00 0.00 H ATOM 773 N ARG A 435 23.433 11.181 13.622 1.00 12.66 N ATOM 774 CA ARG A 435 24.401 12.281 13.728 1.00 15.42 C ATOM 775 C ARG A 435 25.619 11.965 14.589 1.00 17.75 C ATOM 776 O ARG A 435 26.682 12.555 14.399 1.00 18.16 O ATOM 777 CB ARG A 435 23.732 13.550 14.258 1.00 27.11 C ATOM 778 CG ARG A 435 22.731 14.145 13.279 1.00 37.28 C ATOM 779 CD ARG A 435 22.341 15.562 13.669 1.00 32.91 C ATOM 780 NE ARG A 435 21.711 15.598 14.982 1.00 26.80 N ATOM 781 CZ ARG A 435 20.415 15.388 15.190 1.00 28.96 C ATOM 782 NH1 ARG A 435 19.609 15.129 14.164 1.00 24.90 N ATOM 783 NH2 ARG A 435 19.925 15.441 16.420 1.00 24.58 N ATOM 784 HE ARG A 435 22.312 15.800 15.807 1.00 0.00 H ATOM 785 HH12 ARG A 435 18.595 14.965 14.328 1.00 0.00 H ATOM 786 HH11 ARG A 435 19.993 15.091 13.198 1.00 0.00 H ATOM 787 HH22 ARG A 435 18.911 15.277 16.583 1.00 0.00 H ATOM 788 HH21 ARG A 435 20.554 15.647 17.222 1.00 0.00 H ATOM 789 H ARG A 435 22.558 11.211 14.183 1.00 0.00 H ATOM 790 N ALA A 436 25.460 11.051 15.539 1.00 15.82 N ATOM 791 CA ALA A 436 26.537 10.714 16.469 1.00 17.23 C ATOM 792 C ALA A 436 27.715 10.091 15.735 1.00 23.41 C ATOM 793 O ALA A 436 27.526 9.276 14.830 1.00 19.03 O ATOM 794 CB ALA A 436 26.018 9.769 17.555 1.00 19.49 C ATOM 795 H ALA A 436 24.546 10.562 15.624 1.00 0.00 H ATOM 796 N GLU A 437 28.933 10.479 16.118 1.00 16.39 N ATOM 797 CA GLU A 437 30.136 9.958 15.476 1.00 17.07 C ATOM 798 C GLU A 437 31.030 9.348 16.534 1.00 15.12 C ATOM 799 O GLU A 437 30.911 9.676 17.711 1.00 17.35 O ATOM 800 CB GLU A 437 30.929 11.080 14.803 1.00 28.21 C ATOM 801 CG GLU A 437 30.157 11.941 13.810 1.00 37.29 C ATOM 802 CD GLU A 437 30.927 13.203 13.436 1.00 66.60 C ATOM 803 OE1 GLU A 437 30.290 14.214 13.072 1.00 76.99 O ATOM 804 OE2 GLU A 437 32.175 13.185 13.514 1.00 70.85 O ATOM 805 H GLU A 437 29.027 11.168 16.891 1.00 0.00 H ATOM 806 N GLY A 438 31.935 8.474 16.107 1.00 13.83 N ATOM 807 CA GLY A 438 32.918 7.908 17.010 1.00 14.24 C ATOM 808 C GLY A 438 32.284 6.923 17.964 1.00 16.63 C ATOM 809 O GLY A 438 31.376 6.172 17.582 1.00 15.10 O ATOM 810 H GLY A 438 31.938 8.191 15.106 1.00 0.00 H ATOM 811 N VAL A 439 32.748 6.931 19.209 1.00 10.46 N ATOM 812 CA VAL A 439 32.138 6.098 20.246 1.00 9.34 C ATOM 813 C VAL A 439 30.833 6.709 20.743 1.00 9.56 C ATOM 814 O VAL A 439 30.815 7.810 21.300 1.00 16.54 O ATOM 815 CB VAL A 439 33.085 5.892 21.423 1.00 12.36 C ATOM 816 CG1 VAL A 439 32.428 5.013 22.497 1.00 12.75 C ATOM 817 CG2 VAL A 439 34.363 5.226 20.933 1.00 14.76 C ATOM 818 H VAL A 439 33.557 7.538 19.450 1.00 0.00 H ATOM 819 N VAL A 440 29.746 5.964 20.557 1.00 9.26 N ATOM 820 CA VAL A 440 28.417 6.449 20.892 1.00 9.94 C ATOM 821 C VAL A 440 27.974 5.760 22.168 1.00 14.42 C ATOM 822 O VAL A 440 27.971 4.528 22.253 1.00 14.11 O ATOM 823 CB VAL A 440 27.413 6.164 19.756 1.00 10.76 C ATOM 824 CG1 VAL A 440 26.033 6.763 20.091 1.00 12.83 C ATOM 825 CG2 VAL A 440 27.932 6.725 18.431 1.00 11.75 C ATOM 826 H VAL A 440 29.850 5.008 20.161 1.00 0.00 H ATOM 827 N THR A 441 27.643 6.566 23.171 1.00 10.96 N ATOM 828 CA THR A 441 27.217 6.061 24.463 1.00 10.21 C ATOM 829 C THR A 441 25.714 5.846 24.382 1.00 19.14 C ATOM 830 O THR A 441 24.970 6.759 24.009 1.00 19.82 O ATOM 831 CB THR A 441 27.476 7.093 25.562 1.00 13.16 C ATOM 832 OG1 THR A 441 28.864 7.444 25.579 1.00 15.92 O ATOM 833 CG2 THR A 441 27.064 6.537 26.937 1.00 20.01 C ATOM 834 HG1 THR A 441 29.406 6.634 25.755 1.00 0.00 H ATOM 835 H THR A 441 27.691 7.595 23.025 1.00 0.00 H ATOM 836 N MET A 442 25.254 4.646 24.712 1.00 11.82 N ATOM 837 CA MET A 442 23.819 4.420 24.759 1.00 8.93 C ATOM 838 C MET A 442 23.439 3.844 26.115 1.00 11.31 C ATOM 839 O MET A 442 24.156 3.009 26.662 1.00 13.52 O ATOM 840 CB MET A 442 23.396 3.459 23.650 1.00 14.26 C ATOM 841 CG MET A 442 23.596 4.037 22.247 1.00 17.78 C ATOM 842 SD MET A 442 22.922 2.958 20.971 1.00 24.52 S ATOM 843 CE MET A 442 24.159 1.661 20.913 1.00 23.26 C ATOM 844 H MET A 442 25.914 3.874 24.935 1.00 0.00 H ATOM 845 N ILE A 443 22.314 4.301 26.654 1.00 9.76 N ATOM 846 CA ILE A 443 21.796 3.706 27.869 1.00 9.11 C ATOM 847 C ILE A 443 20.647 2.834 27.429 1.00 13.97 C ATOM 848 O ILE A 443 19.718 3.299 26.754 1.00 13.85 O ATOM 849 CB ILE A 443 21.283 4.757 28.865 1.00 8.99 C ATOM 850 CG1 ILE A 443 22.455 5.617 29.356 1.00 12.36 C ATOM 851 CG2 ILE A 443 20.635 4.070 30.057 1.00 10.18 C ATOM 852 CD1 ILE A 443 22.044 6.724 30.309 1.00 15.17 C ATOM 853 H ILE A 443 21.804 5.087 26.203 1.00 0.00 H ATOM 854 N LEU A 444 20.722 1.562 27.800 1.00 11.67 N ATOM 855 CA LEU A 444 19.768 0.565 27.333 1.00 12.29 C ATOM 856 C LEU A 444 19.150 -0.175 28.502 1.00 17.21 C ATOM 857 O LEU A 444 19.795 -0.384 29.521 1.00 14.03 O ATOM 858 CB LEU A 444 20.483 -0.450 26.438 1.00 10.82 C ATOM 859 CG LEU A 444 21.036 0.057 25.105 1.00 17.78 C ATOM 860 CD1 LEU A 444 21.971 -0.986 24.488 1.00 17.74 C ATOM 861 CD2 LEU A 444 19.903 0.417 24.140 1.00 17.65 C ATOM 862 H LEU A 444 21.485 1.268 28.443 1.00 0.00 H ATOM 863 N LEU A 445 17.905 -0.607 28.339 1.00 11.43 N ATOM 864 CA LEU A 445 17.239 -1.396 29.373 1.00 15.79 C ATOM 865 C LEU A 445 16.708 -2.684 28.758 1.00 19.22 C ATOM 866 O LEU A 445 15.860 -2.654 27.855 1.00 16.35 O ATOM 867 CB LEU A 445 16.081 -0.606 29.994 1.00 12.81 C ATOM 868 CG LEU A 445 15.222 -1.369 31.011 1.00 12.87 C ATOM 869 CD1 LEU A 445 16.011 -1.697 32.281 1.00 15.04 C ATOM 870 CD2 LEU A 445 13.989 -0.565 31.360 1.00 15.69 C ATOM 871 H LEU A 445 17.396 -0.380 27.461 1.00 0.00 H ATOM 872 N THR A 446 17.222 -3.818 29.220 1.00 14.82 N ATOM 873 CA THR A 446 16.722 -5.107 28.749 1.00 18.03 C ATOM 874 C THR A 446 15.569 -5.497 29.651 1.00 18.79 C ATOM 875 O THR A 446 15.707 -5.492 30.879 1.00 21.26 O ATOM 876 CB THR A 446 17.818 -6.202 28.795 1.00 22.44 C ATOM 877 OG1 THR A 446 18.871 -5.862 27.888 1.00 17.72 O ATOM 878 CG2 THR A 446 17.249 -7.554 28.383 1.00 23.73 C ATOM 879 HG1 THR A 446 18.506 -5.798 26.970 1.00 0.00 H ATOM 880 H THR A 446 17.987 -3.788 29.923 1.00 0.00 H ATOM 881 N LEU A 447 14.427 -5.811 29.052 1.00 22.83 N ATOM 882 CA LEU A 447 13.225 -6.105 29.827 1.00 28.96 C ATOM 883 C LEU A 447 13.012 -7.615 29.935 1.00 34.64 C ATOM 884 O LEU A 447 13.164 -8.350 28.952 1.00 42.13 O ATOM 885 CB LEU A 447 12.017 -5.393 29.207 1.00 26.38 C ATOM 886 CG LEU A 447 12.164 -3.871 29.329 1.00 30.20 C ATOM 887 CD1 LEU A 447 11.508 -3.129 28.183 1.00 44.37 C ATOM 888 CD2 LEU A 447 11.596 -3.399 30.632 1.00 25.85 C ATOM 889 H LEU A 447 14.388 -5.848 28.013 1.00 0.00 H ATOM 890 N LYS A 448 12.688 -8.082 31.135 1.00 55.12 N ATOM 891 CA LYS A 448 12.684 -9.515 31.392 1.00 79.65 C ATOM 892 C LYS A 448 11.844 -9.861 32.612 1.00 85.97 C ATOM 893 O LYS A 448 11.633 -11.034 32.921 1.00 85.18 O ATOM 894 CB LYS A 448 14.119 -10.014 31.586 1.00 78.72 C ATOM 895 H LYS A 448 12.435 -7.420 31.896 1.00 0.00 H TER 896 LYS A 448 HETATM 897 O HOH 1 23.979 8.268 26.879 1.00 32.32 O HETATM 898 O HOH 2 27.521 -16.344 11.941 1.00 47.72 O HETATM 899 O HOH 3 11.017 14.079 20.173 1.00 26.38 O HETATM 900 O HOH 4 7.441 9.237 23.623 1.00 39.42 O HETATM 901 O HOH 5 0.001 2.906 21.912 1.00 33.94 O HETATM 902 O HOH 6 24.739 8.869 33.212 1.00 25.24 O HETATM 903 O HOH 7 25.552 -16.279 10.323 1.00 52.57 O HETATM 904 O HOH 8 29.535 10.022 19.770 1.00 20.12 O HETATM 905 O HOH 9 9.482 -8.361 28.020 1.00 43.45 O HETATM 906 O HOH 10 14.185 -6.327 10.384 1.00 47.43 O HETATM 907 O HOH 11 7.345 5.073 28.959 1.00 47.68 O HETATM 908 O HOH 12 13.127 -2.287 12.465 1.00 21.10 O HETATM 909 O HOH 13 8.459 7.463 27.133 1.00 33.98 O HETATM 910 O HOH 14 23.104 12.485 21.228 1.00 21.65 O HETATM 911 O HOH 15 10.108 7.978 23.412 1.00 23.23 O HETATM 912 O HOH 16 33.841 -2.315 11.989 1.00 31.13 O HETATM 913 O HOH 17 14.710 13.896 21.379 1.00 37.18 O HETATM 914 O HOH 18 11.930 -6.540 15.633 1.00 29.68 O HETATM 915 O HOH 19 18.573 16.369 24.555 1.00 41.40 O HETATM 916 O HOH 20 18.062 15.403 32.267 1.00 42.18 O HETATM 917 O HOH 21 21.500 -4.026 34.621 1.00 41.96 O HETATM 918 O HOH 22 32.095 -5.018 13.681 1.00 27.78 O HETATM 919 O HOH 23 24.166 -8.567 21.413 1.00 21.34 O HETATM 920 O HOH 24 22.169 -0.160 36.725 1.00 49.47 O HETATM 921 O HOH 25 17.398 14.578 16.674 1.00 26.77 O HETATM 922 O HOH 26 13.687 12.640 25.820 1.00 21.88 O HETATM 923 O HOH 27 12.783 0.346 12.080 1.00 16.76 O HETATM 924 O HOH 28 26.224 -8.741 8.823 1.00 24.20 O HETATM 925 O HOH 29 34.218 5.966 14.724 1.00 19.70 O HETATM 926 O HOH 30 37.413 -1.026 15.968 1.00 19.37 O HETATM 927 O HOH 31 28.428 10.336 34.864 1.00 45.64 O HETATM 928 O HOH 32 20.909 7.849 39.361 1.00 18.66 O HETATM 929 O HOH 33 20.272 8.490 43.702 1.00 14.16 O HETATM 930 O HOH 34 22.767 16.621 20.418 1.00 51.61 O HETATM 931 O HOH 35 25.031 7.628 35.862 1.00 25.20 O HETATM 932 O HOH 36 23.764 -0.985 35.434 1.00 33.58 O HETATM 933 O HOH 37 16.032 -7.162 24.950 1.00 19.54 O HETATM 934 O HOH 38 29.166 -3.438 26.518 1.00 20.76 O HETATM 935 O HOH 39 32.363 -1.386 24.107 1.00 32.40 O HETATM 936 O HOH 40 1.920 5.789 25.405 1.00 37.30 O HETATM 937 O HOH 41 31.530 -3.123 20.270 1.00 19.14 O HETATM 938 O HOH 42 30.029 0.127 28.756 1.00 16.11 O HETATM 939 O HOH 43 24.886 8.880 29.210 1.00 20.20 O HETATM 940 O HOH 44 15.776 10.781 11.285 1.00 42.85 O HETATM 941 O HOH 45 10.816 -4.960 24.257 1.00 30.94 O HETATM 942 O HOH 46 31.343 -1.874 11.405 1.00 22.22 O HETATM 943 O HOH 47 19.569 -3.708 31.140 1.00 14.78 O HETATM 944 O HOH 48 18.278 10.785 40.571 1.00 49.83 O HETATM 945 O HOH 49 10.506 11.896 31.231 1.00 34.95 O HETATM 946 O HOH 50 12.773 5.591 24.833 1.00 14.84 O HETATM 947 O HOH 51 28.863 12.708 17.860 1.00 25.94 O HETATM 948 O HOH 52 14.399 -5.437 33.395 1.00 45.80 O HETATM 949 O HOH 53 29.469 -1.851 13.588 1.00 15.64 O HETATM 950 O HOH 54 23.858 12.618 18.393 1.00 20.39 O HETATM 951 O HOH 55 24.935 14.648 23.375 1.00 27.01 O HETATM 952 O HOH 56 3.492 5.108 27.803 1.00 36.95 O HETATM 953 O HOH 57 13.918 -6.241 26.280 1.00 24.77 O HETATM 954 O HOH 58 21.005 -7.645 28.523 1.00 26.00 O HETATM 955 O HOH 59 5.678 -0.215 16.958 1.00 22.24 O HETATM 956 O HOH 60 25.713 6.657 30.475 1.00 29.41 O HETATM 957 O HOH 61 16.713 14.552 23.534 1.00 37.09 O HETATM 958 O HOH 62 25.588 -4.675 27.076 1.00 18.29 O HETATM 959 O HOH 63 34.726 8.895 19.901 1.00 14.24 O HETATM 960 O HOH 64 23.495 -7.957 26.961 1.00 30.00 O HETATM 961 O HOH 65 35.199 -3.316 16.230 1.00 40.70 O HETATM 962 O HOH 66 15.708 2.463 12.656 1.00 13.10 O HETATM 963 O HOH 67 33.522 0.735 21.721 1.00 33.48 O HETATM 964 O HOH 68 15.261 13.315 11.916 1.00 36.94 O HETATM 965 O HOH 69 25.749 7.593 10.409 1.00 32.56 O HETATM 966 O HOH 70 20.894 1.009 39.839 1.00 23.81 O HETATM 967 O HOH 71 30.336 -0.975 26.389 1.00 17.34 O HETATM 968 O HOH 72 32.618 -0.663 19.542 1.00 15.07 O HETATM 969 O HOH 73 28.338 -5.994 10.405 1.00 24.04 O HETATM 970 O HOH 74 20.467 13.587 35.902 1.00 22.48 O HETATM 971 O HOH 75 36.633 6.383 15.917 1.00 14.73 O HETATM 972 O HOH 76 18.613 15.428 27.144 1.00 38.14 O HETATM 973 O HOH 77 19.362 -9.634 20.335 1.00 25.57 O HETATM 974 O HOH 78 4.667 -6.001 26.321 1.00 40.68 O HETATM 975 O HOH 79 31.592 5.918 9.854 1.00 44.99 O HETATM 976 O HOH 80 28.233 -7.353 7.609 1.00 52.76 O HETATM 977 O HOH 81 11.517 -4.268 19.536 1.00 30.23 O HETATM 978 O HOH 82 26.436 13.149 19.398 1.00 46.35 O HETATM 979 O HOH 83 31.797 7.993 13.123 1.00 24.45 O HETATM 980 O HOH 84 8.176 -4.253 23.289 1.00 41.23 O HETATM 981 O HOH 85 29.847 7.759 29.051 1.00 35.05 O HETATM 982 O HOH 86 13.207 11.851 10.137 1.00 41.13 O HETATM 983 O HOH 87 11.872 4.025 40.539 1.00 47.72 O HETATM 984 O HOH 88 14.667 -1.021 35.800 1.00 13.86 O HETATM 985 O HOH 89 14.729 9.975 38.458 1.00 29.53 O HETATM 986 O HOH 90 23.076 15.432 17.988 1.00 44.73 O HETATM 987 O HOH 91 5.852 14.461 18.086 1.00 37.14 O HETATM 988 O HOH 92 26.737 14.226 21.343 1.00 37.23 O HETATM 989 O HOH 93 22.393 -9.901 20.239 1.00 50.34 O HETATM 990 O HOH 94 34.901 -1.322 18.157 1.00 32.64 O HETATM 991 O HOH 95 27.520 9.556 28.866 1.00 41.71 O HETATM 992 O HOH 96 12.701 14.593 23.976 1.00 40.24 O HETATM 993 O HOH 97 20.545 -6.273 31.528 1.00 35.60 O HETATM 994 O HOH 98 20.512 12.066 39.679 1.00 44.79 O HETATM 995 O HOH 99 30.582 -4.529 10.613 1.00 38.14 O HETATM 996 O HOH 100 32.201 -3.650 22.823 1.00 26.79 O HETATM 997 O HOH 101 9.496 -10.167 29.656 1.00 54.27 O HETATM 998 O HOH 102 35.331 10.676 16.279 1.00 32.31 O HETATM 999 O HOH 103 14.583 0.645 10.010 1.00 20.51 O HETATM 1000 O HOH 104 17.770 16.198 29.640 1.00 51.38 O HETATM 1001 O HOH 105 17.681 12.711 10.675 1.00 37.54 O HETATM 1002 O HOH 106 13.382 13.811 28.274 1.00 32.28 O HETATM 1003 O HOH 107 10.611 -3.726 12.375 1.00 44.61 O HETATM 1004 O HOH 108 10.034 -4.082 21.385 1.00 52.69 O HETATM 1005 O HOH 109 11.658 -6.761 11.940 1.00 53.19 O HETATM 1006 O HOH 110 13.748 -2.048 38.364 1.00 37.42 O HETATM 1007 O HOH 111 11.771 -8.918 17.372 1.00 41.63 O HETATM 1008 O HOH 112 15.570 12.167 39.448 1.00 51.92 O HETATM 1009 O HOH 113 13.008 12.959 30.185 1.00 37.09 O HETATM 1010 O HOH 114 27.678 -6.203 3.029 1.00 47.54 O HETATM 1011 O HOH 115 24.095 5.662 11.723 1.00 26.23 O HETATM 1012 O HOH 116 23.000 0.311 6.117 1.00 23.43 O HETATM 1013 O HOH 117 16.608 2.523 9.836 1.00 26.58 O HETATM 1014 O HOH 118 27.345 -1.088 0.180 1.00 32.86 O HETATM 1015 O HOH 119 26.248 -3.529 0.700 1.00 32.08 O HETATM 1016 O HOH 120 13.878 -15.373 11.190 1.00 43.80 O HETATM 1017 O HOH 121 18.811 -10.688 17.825 1.00 41.85 O HETATM 1018 O HOH 122 16.637 -2.892 3.093 1.00 40.02 O HETATM 1019 O HOH 123 11.913 -14.128 11.563 1.00 48.15 O HETATM 1020 O HOH 124 13.568 -6.980 7.841 1.00 55.54 O HETATM 1021 O HOH 125 16.132 -11.285 17.855 1.00 50.96 O HETATM 1022 O HOH 126 14.331 -2.824 7.127 1.00 64.05 O HETATM 1023 O HOH 127 13.464 -4.683 6.317 1.00 45.92 O HETATM 1024 N GLY A 128 34.961 0.839 3.132 1.00 0.24 N HETATM 1025 CA GLY A 128 34.088 0.785 4.291 1.00 0.05 C HETATM 1026 C GLY A 128 33.224 -0.458 4.261 1.00 0.23 C HETATM 1027 O GLY A 128 33.170 -1.151 3.243 1.00 -0.39 O HETATM 1028 N GLY A 128 32.550 -0.757 5.379 1.00 -0.25 N HETATM 1029 CA GLY A 128 31.685 -1.940 5.381 1.00 0.13 C HETATM 1030 C GLY A 128 30.464 -1.712 4.500 1.00 0.20 C HETATM 1031 O GLY A 128 30.029 -0.567 4.345 1.00 -0.39 O HETATM 1032 N GLY A 128 29.925 -2.784 3.926 1.00 -0.27 N HETATM 1033 CA GLY A 128 28.800 -2.663 3.015 1.00 0.12 C HETATM 1034 C GLY A 128 27.554 -2.146 3.698 1.00 0.20 C HETATM 1035 O GLY A 128 27.360 -2.370 4.894 1.00 -0.39 O HETATM 1036 N GLY A 128 26.690 -1.466 2.946 1.00 -0.26 N HETATM 1037 CA GLY A 128 25.489 -0.905 3.551 1.00 0.15 C HETATM 1038 C GLY A 128 24.532 -2.035 3.917 1.00 0.21 C HETATM 1039 O GLY A 128 23.767 -1.932 4.879 1.00 -0.39 O HETATM 1040 N GLY A 128 24.582 -3.121 3.149 1.00 -0.26 N HETATM 1041 CA GLY A 128 23.738 -4.278 3.448 1.00 0.13 C HETATM 1042 C GLY A 128 24.400 -5.243 4.429 1.00 0.20 C HETATM 1043 O GLY A 128 25.583 -5.562 4.306 1.00 -0.39 O HETATM 1044 N GLY A 128 23.633 -5.696 5.413 1.00 -0.27 N HETATM 1045 CA GLY A 128 24.147 -6.614 6.415 1.00 0.12 C HETATM 1046 C GLY A 128 23.038 -7.531 6.884 1.00 0.20 C HETATM 1047 O GLY A 128 21.862 -7.279 6.614 1.00 -0.39 O HETATM 1048 N GLY A 128 23.403 -8.592 7.593 1.00 -0.26 N HETATM 1049 CA GLY A 128 22.433 -9.617 7.956 1.00 0.13 C HETATM 1050 C GLY A 128 21.635 -9.291 9.220 1.00 0.20 C HETATM 1051 O GLY A 128 22.201 -9.035 10.279 1.00 -0.39 O HETATM 1052 N GLY A 128 20.312 -9.316 9.098 1.00 -0.26 N HETATM 1053 CA GLY A 128 19.418 -9.093 10.224 1.00 0.15 C HETATM 1054 C GLY A 128 19.433 -10.277 11.189 1.00 0.21 C HETATM 1055 O GLY A 128 19.292 -11.420 10.762 1.00 -0.39 O HETATM 1056 N GLY A 128 19.595 -10.013 12.484 1.00 -0.26 N HETATM 1057 CA GLY A 128 19.508 -11.080 13.478 1.00 0.16 C HETATM 1058 C GLY A 128 18.061 -11.511 13.703 1.00 0.21 C HETATM 1059 O GLY A 128 17.798 -12.618 14.180 1.00 -0.39 O HETATM 1060 N GLY A 128 17.127 -10.630 13.358 1.00 -0.26 N HETATM 1061 CA GLY A 128 15.699 -10.934 13.494 1.00 0.13 C HETATM 1062 C GLY A 128 15.161 -11.795 12.350 1.00 0.20 C HETATM 1063 O GLY A 128 14.460 -12.782 12.587 1.00 -0.39 O HETATM 1064 N GLY A 128 15.496 -11.436 11.113 1.00 -0.26 N HETATM 1065 CA GLY A 128 14.931 -12.121 9.951 1.00 0.16 C HETATM 1066 C GLY A 128 15.914 -13.039 9.224 1.00 0.21 C HETATM 1067 O GLY A 128 15.501 -13.942 8.492 1.00 -0.39 O HETATM 1068 N GLY A 128 17.209 -12.798 9.403 1.00 -0.27 N HETATM 1069 CA GLY A 128 18.224 -13.541 8.675 1.00 0.12 C HETATM 1070 C GLY A 128 18.427 -12.994 7.269 1.00 0.20 C HETATM 1071 O GLY A 128 19.262 -13.492 6.512 1.00 -0.39 O HETATM 1072 N GLY A 128 17.663 -11.964 6.916 1.00 -0.26 N HETATM 1073 CA GLY A 128 17.747 -11.374 5.581 1.00 0.13 C HETATM 1074 C GLY A 128 18.844 -10.314 5.507 1.00 0.20 C HETATM 1075 O GLY A 128 19.207 -9.706 6.516 1.00 -0.39 O HETATM 1076 N GLY A 128 19.369 -10.104 4.304 1.00 -0.26 N HETATM 1077 CA GLY A 128 20.367 -9.067 4.057 1.00 0.13 C HETATM 1078 C GLY A 128 19.635 -7.773 3.733 1.00 0.20 C HETATM 1079 O GLY A 128 18.995 -7.659 2.688 1.00 -0.39 O HETATM 1080 N GLY A 128 19.720 -6.798 4.632 1.00 -0.26 N HETATM 1081 CA GLY A 128 18.977 -5.552 4.479 1.00 0.13 C HETATM 1082 C GLY A 128 19.889 -4.340 4.681 1.00 0.20 C HETATM 1083 O GLY A 128 20.982 -4.465 5.233 1.00 -0.39 O HETATM 1084 N GLY A 128 19.438 -3.168 4.241 1.00 -0.26 N HETATM 1085 CA GLY A 128 20.177 -1.929 4.484 1.00 0.15 C HETATM 1086 C GLY A 128 19.392 -1.083 5.485 1.00 0.21 C HETATM 1087 O GLY A 128 18.429 -1.570 6.090 1.00 -0.39 O HETATM 1088 N GLY A 128 19.790 0.172 5.671 1.00 -0.27 N HETATM 1089 CA GLY A 128 19.071 1.052 6.582 1.00 0.12 C HETATM 1090 C GLY A 128 19.562 0.936 8.011 1.00 0.20 C HETATM 1091 O GLY A 128 18.845 1.254 8.968 1.00 -0.39 O HETATM 1092 N GLY A 128 20.796 0.476 8.166 1.00 -0.26 N HETATM 1093 CA GLY A 128 21.380 0.353 9.496 1.00 0.14 C HETATM 1094 C GLY A 128 21.798 1.697 10.062 1.00 0.20 C HETATM 1095 O GLY A 128 22.354 2.540 9.351 1.00 -0.39 O HETATM 1096 N GLY A 128 21.525 1.890 11.349 1.00 -0.27 N HETATM 1097 CA GLY A 128 22.038 3.035 12.086 1.00 0.09 C HETATM 1098 C GLY A 128 23.349 2.616 12.733 1.00 0.06 C HETATM 1099 O GLY A 128 24.294 3.403 12.893 1.00 -0.57 O HETATM 1100 OXT GLY A 128 23.489 1.437 13.084 1.00 -0.57 O HETATM 1101 CB GLY A 128 21.029 3.456 13.155 1.00 -0.02 C HETATM 1102 CG GLY A 128 19.683 3.871 12.573 1.00 -0.04 C HETATM 1103 CD1 GLY A 128 18.708 4.241 13.675 1.00 -0.06 C HETATM 1104 H129 GLY A 128 17.746 4.536 13.230 1.00 0.02 H HETATM 1105 H130 GLY A 128 19.115 5.080 14.258 1.00 0.02 H HETATM 1106 H131 GLY A 128 18.556 3.375 14.336 1.00 0.02 H HETATM 1107 CD2 GLY A 128 19.886 5.027 11.629 1.00 -0.06 C HETATM 1108 H132 GLY A 128 20.595 4.736 10.840 1.00 0.02 H HETATM 1109 H133 GLY A 128 20.288 5.888 12.184 1.00 0.02 H HETATM 1110 H134 GLY A 128 18.923 5.302 11.173 1.00 0.02 H HETATM 1111 H128 GLY A 128 19.265 3.024 12.009 1.00 0.03 H HETATM 1112 H126 GLY A 128 21.446 4.306 13.715 1.00 0.03 H HETATM 1113 H127 GLY A 128 20.869 2.609 13.839 1.00 0.03 H HETATM 1114 H125 GLY A 128 22.213 3.876 11.398 1.00 0.07 H HETATM 1115 H124 GLY A 128 20.948 1.227 11.826 1.00 0.19 H HETATM 1116 CB GLY A 128 22.581 -0.604 9.470 1.00 0.00 C HETATM 1117 CG GLY A 128 22.153 -2.005 9.142 1.00 -0.04 C HETATM 1118 CD1 GLY A 128 22.279 -2.656 7.943 1.00 0.02 C HETATM 1119 NE1 GLY A 128 21.732 -3.919 8.034 1.00 -0.29 N HETATM 1120 CE2 GLY A 128 21.233 -4.100 9.301 1.00 0.06 C HETATM 1121 CD2 GLY A 128 21.480 -2.913 10.023 1.00 -0.02 C HETATM 1122 CE3 GLY A 128 21.062 -2.832 11.364 1.00 -0.07 C HETATM 1123 CZ3 GLY A 128 20.418 -3.930 11.931 1.00 -0.08 C HETATM 1124 CH2 GLY A 128 20.191 -5.101 11.186 1.00 -0.08 C HETATM 1125 CZ2 GLY A 128 20.586 -5.208 9.871 1.00 -0.04 C HETATM 1126 H121 GLY A 128 20.405 -6.111 9.299 1.00 0.05 H HETATM 1127 H123 GLY A 128 19.693 -5.940 11.658 1.00 0.05 H HETATM 1128 H122 GLY A 128 20.087 -3.881 12.962 1.00 0.05 H HETATM 1129 H120 GLY A 128 21.237 -1.933 11.944 1.00 0.05 H HETATM 1130 H119 GLY A 128 21.703 -4.614 7.274 1.00 0.22 H HETATM 1131 H118 GLY A 128 22.742 -2.238 7.050 1.00 0.08 H HETATM 1132 H116 GLY A 128 23.065 -0.599 10.458 1.00 0.04 H HETATM 1133 H117 GLY A 128 23.297 -0.260 8.709 1.00 0.04 H HETATM 1134 H115 GLY A 128 20.615 -0.072 10.162 1.00 0.08 H HETATM 1135 H114 GLY A 128 21.331 0.211 7.364 1.00 0.19 H HETATM 1136 H112 GLY A 128 18.003 0.792 6.554 1.00 0.08 H HETATM 1137 H113 GLY A 128 19.204 2.091 6.247 1.00 0.08 H HETATM 1138 H111 GLY A 128 20.591 0.515 5.181 1.00 0.19 H HETATM 1139 CB GLY A 128 20.395 -1.165 3.173 1.00 0.08 C HETATM 1140 OG GLY A 128 19.158 -0.717 2.635 1.00 -0.39 O HETATM 1141 H110 GLY A 128 18.599 -1.466 2.463 1.00 0.21 H HETATM 1142 H108 GLY A 128 20.884 -1.830 2.446 1.00 0.06 H HETATM 1143 H109 GLY A 128 21.040 -0.295 3.366 1.00 0.06 H HETATM 1144 H107 GLY A 128 21.159 -2.175 4.915 1.00 0.08 H HETATM 1145 H106 GLY A 128 18.577 -3.133 3.734 1.00 0.19 H HETATM 1146 CB GLY A 128 17.813 -5.480 5.497 1.00 -0.00 C HETATM 1147 CG1 GLY A 128 18.349 -5.496 6.927 1.00 -0.05 C HETATM 1148 CD1 GLY A 128 17.246 -5.539 7.994 1.00 -0.06 C HETATM 1149 H103 GLY A 128 17.704 -5.548 8.994 1.00 0.02 H HETATM 1150 H104 GLY A 128 16.641 -6.447 7.859 1.00 0.02 H HETATM 1151 H105 GLY A 128 16.604 -4.652 7.893 1.00 0.02 H HETATM 1152 H98 GLY A 128 18.950 -4.588 7.084 1.00 0.03 H HETATM 1153 H99 GLY A 128 18.987 -6.384 7.050 1.00 0.03 H HETATM 1154 CG2 GLY A 128 16.821 -6.634 5.282 1.00 -0.06 C HETATM 1155 H100 GLY A 128 16.446 -6.607 4.248 1.00 0.02 H HETATM 1156 H101 GLY A 128 15.978 -6.528 5.981 1.00 0.02 H HETATM 1157 H102 GLY A 128 17.329 -7.593 5.463 1.00 0.02 H HETATM 1158 H97 GLY A 128 17.277 -4.532 5.340 1.00 0.03 H HETATM 1159 H96 GLY A 128 18.562 -5.517 3.461 1.00 0.08 H HETATM 1160 H95 GLY A 128 20.307 -6.921 5.432 1.00 0.19 H HETATM 1161 CB GLY A 128 21.260 -9.464 2.879 1.00 -0.00 C HETATM 1162 CG GLY A 128 22.092 -10.721 3.126 1.00 -0.00 C HETATM 1163 SD GLY A 128 23.401 -10.433 4.335 1.00 -0.16 S HETATM 1164 CE GLY A 128 24.153 -8.966 3.622 1.00 -0.02 C HETATM 1165 H92 GLY A 128 24.995 -8.643 4.251 1.00 0.03 H HETATM 1166 H93 GLY A 128 23.406 -8.160 3.568 1.00 0.03 H HETATM 1167 H94 GLY A 128 24.518 -9.196 2.610 1.00 0.03 H HETATM 1168 H90 GLY A 128 22.548 -11.038 2.177 1.00 0.04 H HETATM 1169 H91 GLY A 128 21.431 -11.517 3.500 1.00 0.04 H HETATM 1170 H88 GLY A 128 21.947 -8.631 2.669 1.00 0.03 H HETATM 1171 H89 GLY A 128 20.619 -9.640 2.003 1.00 0.03 H HETATM 1172 H87 GLY A 128 20.988 -8.929 4.955 1.00 0.08 H HETATM 1173 H86 GLY A 128 19.070 -10.677 3.541 1.00 0.19 H HETATM 1174 CB GLY A 128 16.401 -10.764 5.174 1.00 -0.02 C HETATM 1175 H83 GLY A 128 16.486 -10.326 4.168 1.00 0.03 H HETATM 1176 H84 GLY A 128 16.122 -9.980 5.893 1.00 0.03 H HETATM 1177 H85 GLY A 128 15.630 -11.548 5.169 1.00 0.03 H HETATM 1178 H82 GLY A 128 17.994 -12.175 4.869 1.00 0.08 H HETATM 1179 H81 GLY A 128 17.017 -11.585 7.578 1.00 0.19 H HETATM 1180 H79 GLY A 128 17.913 -14.594 8.606 1.00 0.08 H HETATM 1181 H80 GLY A 128 19.175 -13.475 9.223 1.00 0.08 H HETATM 1182 H78 GLY A 128 17.491 -12.091 10.052 1.00 0.19 H HETATM 1183 CB GLY A 128 14.386 -11.115 8.917 1.00 0.09 C HETATM 1184 OG1 GLY A 128 15.479 -10.464 8.258 1.00 -0.39 O HETATM 1185 H74 GLY A 128 16.006 -10.003 8.900 1.00 0.21 H HETATM 1186 CG2 GLY A 128 13.514 -10.074 9.599 1.00 -0.03 C HETATM 1187 H75 GLY A 128 13.134 -9.365 8.848 1.00 0.03 H HETATM 1188 H76 GLY A 128 14.109 -9.531 10.348 1.00 0.03 H HETATM 1189 H77 GLY A 128 12.668 -10.572 10.094 1.00 0.03 H HETATM 1190 H73 GLY A 128 13.784 -11.656 8.172 1.00 0.06 H HETATM 1191 H72 GLY A 128 14.095 -12.738 10.312 1.00 0.08 H HETATM 1192 H71 GLY A 128 16.144 -10.687 10.976 1.00 0.19 H HETATM 1193 CB GLY A 128 14.863 -9.646 13.637 1.00 -0.01 C HETATM 1194 CG1 GLY A 128 13.358 -9.953 13.556 1.00 -0.06 C HETATM 1195 H65 GLY A 128 12.787 -9.019 13.661 1.00 0.02 H HETATM 1196 H66 GLY A 128 13.081 -10.645 14.365 1.00 0.02 H HETATM 1197 H67 GLY A 128 13.130 -10.415 12.584 1.00 0.02 H HETATM 1198 CG2 GLY A 128 15.202 -8.950 14.951 1.00 -0.06 C HETATM 1199 H68 GLY A 128 16.281 -8.741 14.987 1.00 0.02 H HETATM 1200 H69 GLY A 128 14.927 -9.602 15.793 1.00 0.02 H HETATM 1201 H70 GLY A 128 14.643 -8.005 15.021 1.00 0.02 H HETATM 1202 H64 GLY A 128 15.122 -8.970 12.808 1.00 0.03 H HETATM 1203 H63 GLY A 128 15.579 -11.512 14.422 1.00 0.08 H HETATM 1204 H62 GLY A 128 17.405 -9.740 12.998 1.00 0.19 H HETATM 1205 CB GLY A 128 20.178 -10.688 14.829 1.00 0.09 C HETATM 1206 OG1 GLY A 128 19.709 -9.405 15.253 1.00 -0.39 O HETATM 1207 H58 GLY A 128 19.928 -8.756 14.595 1.00 0.21 H HETATM 1208 CG2 GLY A 128 21.684 -10.636 14.670 1.00 -0.03 C HETATM 1209 H59 GLY A 128 22.145 -10.358 15.630 1.00 0.03 H HETATM 1210 H60 GLY A 128 21.947 -9.888 13.907 1.00 0.03 H HETATM 1211 H61 GLY A 128 22.054 -11.624 14.358 1.00 0.03 H HETATM 1212 H57 GLY A 128 19.919 -11.439 15.590 1.00 0.06 H HETATM 1213 H56 GLY A 128 20.056 -11.946 13.077 1.00 0.08 H HETATM 1214 H55 GLY A 128 19.778 -9.075 12.779 1.00 0.19 H HETATM 1215 CB GLY A 128 17.989 -8.896 9.702 1.00 0.08 C HETATM 1216 OG GLY A 128 17.053 -8.963 10.761 1.00 -0.39 O HETATM 1217 H54 GLY A 128 17.244 -8.282 11.395 1.00 0.21 H HETATM 1218 H52 GLY A 128 17.761 -9.684 8.969 1.00 0.06 H HETATM 1219 H53 GLY A 128 17.915 -7.912 9.217 1.00 0.06 H HETATM 1220 H51 GLY A 128 19.739 -8.189 10.761 1.00 0.08 H HETATM 1221 H50 GLY A 128 19.916 -9.495 8.197 1.00 0.19 H HETATM 1222 CB GLY A 128 23.133 -10.968 8.100 1.00 -0.01 C HETATM 1223 CG GLY A 128 22.180 -12.143 8.229 1.00 -0.04 C HETATM 1224 CD GLY A 128 22.892 -13.456 7.957 1.00 -0.01 C HETATM 1225 CE GLY A 128 22.339 -14.547 8.849 1.00 -0.04 C HETATM 1226 NZ GLY A 128 22.305 -14.091 10.274 1.00 0.22 N HETATM 1227 H47 GLY A 128 21.935 -14.828 10.854 1.00 0.20 H HETATM 1228 H48 GLY A 128 21.718 -13.275 10.352 1.00 0.20 H HETATM 1229 H49 GLY A 128 23.239 -13.863 10.576 1.00 0.20 H HETATM 1230 H45 GLY A 128 22.978 -15.439 8.769 1.00 0.08 H HETATM 1231 H46 GLY A 128 21.318 -14.797 8.524 1.00 0.08 H HETATM 1232 H43 GLY A 128 23.967 -13.334 8.156 1.00 0.03 H HETATM 1233 H44 GLY A 128 22.744 -13.738 6.904 1.00 0.03 H HETATM 1234 H41 GLY A 128 21.360 -12.022 7.505 1.00 0.03 H HETATM 1235 H42 GLY A 128 21.769 -12.162 9.249 1.00 0.03 H HETATM 1236 H39 GLY A 128 23.767 -10.936 8.998 1.00 0.03 H HETATM 1237 H40 GLY A 128 23.763 -11.128 7.212 1.00 0.03 H HETATM 1238 H38 GLY A 128 21.713 -9.694 7.128 1.00 0.08 H HETATM 1239 H37 GLY A 128 24.355 -8.689 7.882 1.00 0.19 H HETATM 1240 H35 GLY A 128 24.535 -6.042 7.271 1.00 0.08 H HETATM 1241 H36 GLY A 128 24.958 -7.215 5.978 1.00 0.08 H HETATM 1242 H34 GLY A 128 22.680 -5.399 5.466 1.00 0.19 H HETATM 1243 CB GLY A 128 23.338 -5.001 2.162 1.00 -0.01 C HETATM 1244 CG GLY A 128 22.354 -4.200 1.338 1.00 -0.02 C HETATM 1245 CD GLY A 128 21.916 -4.933 0.082 1.00 0.06 C HETATM 1246 NE GLY A 128 23.027 -5.155 -0.839 1.00 -0.27 N HETATM 1247 CZ GLY A 128 23.637 -4.195 -1.534 1.00 0.29 C HETATM 1248 NH1 GLY A 128 23.263 -2.926 -1.407 1.00 -0.28 N HETATM 1249 H30 GLY A 128 23.741 -2.192 -1.949 1.00 0.26 H HETATM 1250 H31 GLY A 128 22.495 -2.677 -0.767 1.00 0.26 H HETATM 1251 NH2 GLY A 128 24.634 -4.505 -2.352 1.00 -0.28 N HETATM 1252 H32 GLY A 128 24.929 -5.486 -2.455 1.00 0.26 H HETATM 1253 H33 GLY A 128 25.113 -3.764 -2.884 1.00 0.26 H HETATM 1254 H29 GLY A 128 23.363 -6.121 -0.960 1.00 0.26 H HETATM 1255 H27 GLY A 128 21.146 -4.335 -0.428 1.00 0.07 H HETATM 1256 H28 GLY A 128 21.493 -5.907 0.369 1.00 0.07 H HETATM 1257 H25 GLY A 128 22.828 -3.252 1.046 1.00 0.03 H HETATM 1258 H26 GLY A 128 21.466 -3.992 1.953 1.00 0.03 H HETATM 1259 H23 GLY A 128 22.877 -5.964 2.426 1.00 0.03 H HETATM 1260 H24 GLY A 128 24.241 -5.179 1.560 1.00 0.03 H HETATM 1261 H22 GLY A 128 22.819 -3.903 3.923 1.00 0.08 H HETATM 1262 H21 GLY A 128 25.200 -3.146 2.363 1.00 0.19 H HETATM 1263 CB GLY A 128 24.811 0.092 2.611 1.00 0.08 C HETATM 1264 OG GLY A 128 24.140 -0.571 1.550 1.00 -0.39 O HETATM 1265 H20 GLY A 128 23.730 0.073 0.985 1.00 0.21 H HETATM 1266 H18 GLY A 128 25.574 0.762 2.188 1.00 0.06 H HETATM 1267 H19 GLY A 128 24.080 0.683 3.183 1.00 0.06 H HETATM 1268 H17 GLY A 128 25.775 -0.374 4.471 1.00 0.08 H HETATM 1269 H16 GLY A 128 26.865 -1.341 1.969 1.00 0.19 H HETATM 1270 H14 GLY A 128 28.583 -3.654 2.589 1.00 0.08 H HETATM 1271 H15 GLY A 128 29.073 -1.968 2.207 1.00 0.08 H HETATM 1272 H13 GLY A 128 30.301 -3.689 4.125 1.00 0.19 H HETATM 1273 CB GLY A 128 31.279 -2.084 6.851 1.00 -0.01 C HETATM 1274 CG GLY A 128 31.441 -0.710 7.438 1.00 -0.03 C HETATM 1275 CD GLY A 128 32.571 -0.066 6.681 1.00 0.04 C HETATM 1276 H11 GLY A 128 32.397 1.013 6.556 1.00 0.05 H HETATM 1277 H12 GLY A 128 33.530 -0.225 7.195 1.00 0.05 H HETATM 1278 H9 GLY A 128 31.688 -0.778 8.508 1.00 0.03 H HETATM 1279 H10 GLY A 128 30.516 -0.129 7.311 1.00 0.03 H HETATM 1280 H7 GLY A 128 31.935 -2.803 7.364 1.00 0.03 H HETATM 1281 H8 GLY A 128 30.234 -2.418 6.932 1.00 0.03 H HETATM 1282 H6 GLY A 128 32.230 -2.830 5.033 1.00 0.08 H HETATM 1283 H4 GLY A 128 33.440 1.674 4.295 1.00 0.11 H HETATM 1284 H5 GLY A 128 34.702 0.775 5.204 1.00 0.11 H HETATM 1285 H1 GLY A 128 35.525 1.673 3.175 1.00 0.20 H HETATM 1286 H2 GLY A 128 34.404 0.853 2.292 1.00 0.20 H HETATM 1287 H3 GLY A 128 35.560 0.029 3.125 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1024 1025 1285 1286 1287 CONECT 1025 1024 1026 1283 1284 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 1029 1275 CONECT 1029 1028 1030 1273 1282 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1272 CONECT 1033 1032 1034 1270 1271 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1269 CONECT 1037 1036 1038 1263 1268 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1262 CONECT 1041 1040 1042 1243 1261 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1242 CONECT 1045 1044 1046 1240 1241 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1239 CONECT 1049 1048 1050 1222 1238 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1221 CONECT 1053 1052 1054 1215 1220 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1214 CONECT 1057 1056 1058 1205 1213 CONECT 1058 1057 1059 1060 CONECT 1059 1058 CONECT 1060 1058 1061 1204 CONECT 1061 1060 1062 1193 1203 CONECT 1062 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 1065 1192 CONECT 1065 1064 1066 1183 1191 CONECT 1066 1065 1067 1068 CONECT 1067 1066 CONECT 1068 1066 1069 1182 CONECT 1069 1068 1070 1180 1181 CONECT 1070 1069 1071 1072 CONECT 1071 1070 CONECT 1072 1070 1073 1179 CONECT 1073 1072 1074 1174 1178 CONECT 1074 1073 1075 1076 CONECT 1075 1074 CONECT 1076 1074 1077 1173 CONECT 1077 1076 1078 1161 1172 CONECT 1078 1077 1079 1080 CONECT 1079 1078 CONECT 1080 1078 1081 1160 CONECT 1081 1080 1082 1146 1159 CONECT 1082 1081 1083 1084 CONECT 1083 1082 CONECT 1084 1082 1085 1145 CONECT 1085 1084 1086 1139 1144 CONECT 1086 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 1089 1138 CONECT 1089 1088 1090 1136 1137 CONECT 1090 1089 1091 1092 CONECT 1091 1090 CONECT 1092 1090 1093 1135 CONECT 1093 1092 1094 1116 1134 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1115 CONECT 1097 1096 1098 1101 1114 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 CONECT 1101 1097 1102 1112 1113 CONECT 1102 1101 1103 1107 1111 CONECT 1103 1102 1104 1105 1106 CONECT 1104 1103 CONECT 1105 1103 CONECT 1106 1103 CONECT 1107 1102 1108 1109 1110 CONECT 1108 1107 CONECT 1109 1107 CONECT 1110 1107 CONECT 1111 1102 CONECT 1112 1101 CONECT 1113 1101 CONECT 1114 1097 CONECT 1115 1096 CONECT 1116 1093 1117 1132 1133 CONECT 1117 1116 1118 1121 CONECT 1118 1117 1119 1131 CONECT 1119 1118 1120 1130 CONECT 1120 1119 1121 1125 CONECT 1121 1117 1120 1122 CONECT 1122 1121 1123 1129 CONECT 1123 1122 1124 1128 CONECT 1124 1123 1125 1127 CONECT 1125 1120 1124 1126 CONECT 1126 1125 CONECT 1127 1124 CONECT 1128 1123 CONECT 1129 1122 CONECT 1130 1119 CONECT 1131 1118 CONECT 1132 1116 CONECT 1133 1116 CONECT 1134 1093 CONECT 1135 1092 CONECT 1136 1089 CONECT 1137 1089 CONECT 1138 1088 CONECT 1139 1085 1140 1142 1143 CONECT 1140 1139 1141 CONECT 1141 1140 CONECT 1142 1139 CONECT 1143 1139 CONECT 1144 1085 CONECT 1145 1084 CONECT 1146 1081 1147 1154 1158 CONECT 1147 1146 1148 1152 1153 CONECT 1148 1147 1149 1150 1151 CONECT 1149 1148 CONECT 1150 1148 CONECT 1151 1148 CONECT 1152 1147 CONECT 1153 1147 CONECT 1154 1146 1155 1156 1157 CONECT 1155 1154 CONECT 1156 1154 CONECT 1157 1154 CONECT 1158 1146 CONECT 1159 1081 CONECT 1160 1080 CONECT 1161 1077 1162 1170 1171 CONECT 1162 1161 1163 1168 1169 CONECT 1163 1162 1164 CONECT 1164 1163 1165 1166 1167 CONECT 1165 1164 CONECT 1166 1164 CONECT 1167 1164 CONECT 1168 1162 CONECT 1169 1162 CONECT 1170 1161 CONECT 1171 1161 CONECT 1172 1077 CONECT 1173 1076 CONECT 1174 1073 1175 1176 1177 CONECT 1175 1174 CONECT 1176 1174 CONECT 1177 1174 CONECT 1178 1073 CONECT 1179 1072 CONECT 1180 1069 CONECT 1181 1069 CONECT 1182 1068 CONECT 1183 1065 1184 1186 1190 CONECT 1184 1183 1185 CONECT 1185 1184 CONECT 1186 1183 1187 1188 1189 CONECT 1187 1186 CONECT 1188 1186 CONECT 1189 1186 CONECT 1190 1183 CONECT 1191 1065 CONECT 1192 1064 CONECT 1193 1061 1194 1198 1202 CONECT 1194 1193 1195 1196 1197 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1194 CONECT 1198 1193 1199 1200 1201 CONECT 1199 1198 CONECT 1200 1198 CONECT 1201 1198 CONECT 1202 1193 CONECT 1203 1061 CONECT 1204 1060 CONECT 1205 1057 1206 1208 1212 CONECT 1206 1205 1207 CONECT 1207 1206 CONECT 1208 1205 1209 1210 1211 CONECT 1209 1208 CONECT 1210 1208 CONECT 1211 1208 CONECT 1212 1205 CONECT 1213 1057 CONECT 1214 1056 CONECT 1215 1053 1216 1218 1219 CONECT 1216 1215 1217 CONECT 1217 1216 CONECT 1218 1215 CONECT 1219 1215 CONECT 1220 1053 CONECT 1221 1052 CONECT 1222 1049 1223 1236 1237 CONECT 1223 1222 1224 1234 1235 CONECT 1224 1223 1225 1232 1233 CONECT 1225 1224 1226 1230 1231 CONECT 1226 1225 1227 1228 1229 CONECT 1227 1226 CONECT 1228 1226 CONECT 1229 1226 CONECT 1230 1225 CONECT 1231 1225 CONECT 1232 1224 CONECT 1233 1224 CONECT 1234 1223 CONECT 1235 1223 CONECT 1236 1222 CONECT 1237 1222 CONECT 1238 1049 CONECT 1239 1048 CONECT 1240 1045 CONECT 1241 1045 CONECT 1242 1044 CONECT 1243 1041 1244 1259 1260 CONECT 1244 1243 1245 1257 1258 CONECT 1245 1244 1246 1255 1256 CONECT 1246 1245 1247 1254 CONECT 1247 1246 1248 1251 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 CONECT 1251 1247 1252 1253 CONECT 1252 1251 CONECT 1253 1251 CONECT 1254 1246 CONECT 1255 1245 CONECT 1256 1245 CONECT 1257 1244 CONECT 1258 1244 CONECT 1259 1243 CONECT 1260 1243 CONECT 1261 1041 CONECT 1262 1040 CONECT 1263 1037 1264 1266 1267 CONECT 1264 1263 1265 CONECT 1265 1264 CONECT 1266 1263 CONECT 1267 1263 CONECT 1268 1037 CONECT 1269 1036 CONECT 1270 1033 CONECT 1271 1033 CONECT 1272 1032 CONECT 1273 1029 1274 1280 1281 CONECT 1274 1273 1275 1278 1279 CONECT 1275 1028 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 CONECT 1278 1274 CONECT 1279 1274 CONECT 1280 1273 CONECT 1281 1273 CONECT 1282 1029 CONECT 1283 1025 CONECT 1284 1025 CONECT 1285 1024 CONECT 1286 1024 CONECT 1287 1024 MASTER 0 0 0 0 0 0 0 0 1286 1 268 8 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: 5f67
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1dva
RCSB PDB
PDBbind
19-mer
1idg
RCSB PDB
PDBbind
19-mer
1ilq
RCSB PDB
PDBbind
19-mer
1iwq
RCSB PDB
PDBbind
19-mer
1kat
RCSB PDB
PDBbind
19-mer
1lxh
RCSB PDB
PDBbind
19-mer
1oqp
RCSB PDB
PDBbind
19-mer
2asu
RCSB PDB
PDBbind
19-mer
2jqk
RCSB PDB
PDBbind
19-mer
2k7l
RCSB PDB
PDBbind
19-mer
2kup
RCSB PDB
PDBbind
19-mer
2llo
RCSB PDB
PDBbind
19-mer
2llq
RCSB PDB
PDBbind
19-mer
2nd0
RCSB PDB
PDBbind
19-mer
2pl9
RCSB PDB
PDBbind
19-mer
2rqu
RCSB PDB
PDBbind
19-mer
2yq6
RCSB PDB
PDBbind
19-mer
3bim
RCSB PDB
PDBbind
19-mer
3bl2
RCSB PDB
PDBbind
19-mer
3bu8
RCSB PDB
PDBbind
19-mer
3eu7
RCSB PDB
PDBbind
19-mer
3h52
RCSB PDB
PDBbind
19-mer
3plu
RCSB PDB
PDBbind
19-mer
3q6s
RCSB PDB
PDBbind
19-mer
3qnj
RCSB PDB
PDBbind
19-mer
3tiw
RCSB PDB
PDBbind
19-mer
3tzd
RCSB PDB
PDBbind
19-mer
3uvu
RCSB PDB
PDBbind
19-mer
3v2o
RCSB PDB
PDBbind
19-mer
3v7d
RCSB PDB
PDBbind
19-mer
3zha
RCSB PDB
PDBbind
19-mer
4a1w
RCSB PDB
PDBbind
19-mer
4bpi
RCSB PDB
PDBbind
19-mer
4bpj
RCSB PDB
PDBbind
19-mer
4hpy
RCSB PDB
PDBbind
19-mer
4j24
RCSB PDB
PDBbind
19-mer
4mzj
RCSB PDB
PDBbind
19-mer
4mzk
RCSB PDB
PDBbind
19-mer
4oyk
RCSB PDB
PDBbind
19-mer
4qxt
RCSB PDB
PDBbind
19-mer
4qy8
RCSB PDB
PDBbind
19-mer
4tkn
RCSB PDB
PDBbind
19-mer
4xek
RCSB PDB
PDBbind
19-mer
4xgz
RCSB PDB
PDBbind
19-mer
4z8m
RCSB PDB
PDBbind
19-mer
5bjt
RCSB PDB
PDBbind
19-mer
5ekg
RCSB PDB
PDBbind
19-mer
5gmi
RCSB PDB
PDBbind
19-mer
5gmj
RCSB PDB
PDBbind
19-mer
5gow
RCSB PDB
PDBbind
19-mer
5jeo
RCSB PDB
PDBbind
19-mer
5jer
RCSB PDB
PDBbind
19-mer
5k6s
RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
5nxq
RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
19-mer
5uwp
RCSB PDB
PDBbind
19-mer
5v2p
RCSB PDB
PDBbind
19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
5f67
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Inactivation-no-after-potential D protein (INAD PDZ3)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd~0.13uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Structure Vol. 24: pp. 1-9
Ligand Properties
Formula
C
8
0
H
1
3
5
N
2
4
O
2
5
S
Molecular Weight
1865.140
Exact Mass
1863.980
No. of atoms
265
No. of bonds
267
Polar Surface Area
815.84
LOGP Value
-6.13 (
Computed with XLOGP3
)
-6.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 25
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 81
No. of Nitrogen and Oxygen Atoms: 49
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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)CO)[C@H](CC)C)CCSC)C)[C@H](O)C)C(C)C)[C@H](O)C)CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CO)CCC[NH+]=C(N)N
InChI String
InChI=1S/C80H132N24O25S/c1-11-41(6)63(77(126)99-53(36-105)68(117)88-34-59(112)93-51(71(120)97-52(79(128)129)28-39(2)3)29-45-31-86-47-19-13-12-18-46(45)47)101-70(119)50(23-27-130-10)95-66(115)42(7)91-57(110)32-90-75(124)64(43(8)108)103-76(125)62(40(4)5)100-78(127)65(44(9)109)102-73(122)55(38-107)98-69(118)49(20-14-15-24-81)92-58(111)33-87-67(116)48(21-16-25-85-80(83)84)96-72(121)54(37-106)94-60(113)35-89-74(123)56-22-17-26-104(56)61(114)30-82/h12-13,18-19,31,39-44,48-56,62-65,86,105-109H,11,14-17,20-30,32-38,81-82H2,1-10H3,(H,87,116)(H,88,117)(H,89,123)(H,90,124)(H,91,110)(H,92,111)(H,93,112)(H,94,113)(H,95,115)(H,96,121)(H,97,120)(H,98,118)(H,99,126)(H,100,127)(H,101,119)(H,102,122)(H,103,125)(H,128,129)(H4,83,84,85)/p+3/t41-,42-,43+,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-,63-,64-,65-/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):
P19334
Q24008
Entrez Gene ID
NCBI Entrez Gene ID:
43542
37629
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