Browse entries in the PDBbind-CN Database
HEADER 6HPG_COMPLEX COMPND 6HPG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 GLY ASN MET GLU ALA SER GLU VAL MET LYS GLU LYS GLY SEQRES 2 A 121 ASN ALA ALA TYR LYS GLY LYS GLN TRP ASN LYS ALA VAL SEQRES 3 A 121 ASN PHE TYR THR GLU ALA ILE LYS LEU ASN GLY ALA ASN SEQRES 4 A 121 ALA THR TYR TYR CYS ASN ARG ALA ALA ALA PHE LEU GLU SEQRES 5 A 121 LEU CYS CYS PHE GLN GLN ALA GLU GLN ASP CYS THR LYS SEQRES 6 A 121 ALA MET LEU ILE ASP LYS LYS ASN VAL LYS ALA TYR LEU SEQRES 7 A 121 ARG ARG GLY THR ALA ARG GLU SER LEU VAL ARG TYR LYS SEQRES 8 A 121 GLU ALA ALA ALA ASP PHE ARG HIS ALA LEU VAL LEU GLU SEQRES 9 A 121 PRO GLN ASN LYS THR ALA LYS VAL ALA GLU LYS ARG LEU SEQRES 10 A 121 ARG LYS HIS ILE HET GLY A 241 118 ATOM 1 N GLY A 483 29.033 -0.351 -29.527 1.00 26.55 N ATOM 2 CA GLY A 483 29.957 -0.403 -28.354 1.00 33.04 C ATOM 3 C GLY A 483 29.152 -0.308 -27.077 1.00 30.98 C ATOM 4 O GLY A 483 27.914 -0.419 -27.094 1.00 25.81 O ATOM 5 HN3 GLY A 483 28.507 0.546 -29.513 1.00 0.00 H ATOM 6 HN2 GLY A 483 28.365 -1.147 -29.476 1.00 0.00 H ATOM 7 HN1 GLY A 483 29.586 -0.416 -30.405 1.00 0.00 H ATOM 8 N ASN A 484 29.863 -0.080 -25.982 1.00 30.95 N ATOM 9 CA ASN A 484 29.238 0.005 -24.682 1.00 28.85 C ATOM 10 C ASN A 484 28.336 1.247 -24.531 1.00 28.70 C ATOM 11 O ASN A 484 27.228 1.177 -23.956 1.00 26.09 O ATOM 12 CB ASN A 484 30.301 -0.091 -23.612 1.00 30.07 C ATOM 13 CG ASN A 484 30.938 -1.474 -23.560 1.00 30.71 C ATOM 14 OD1 ASN A 484 30.414 -2.447 -24.105 1.00 31.68 O ATOM 15 ND2 ASN A 484 32.059 -1.562 -22.910 1.00 35.40 N ATOM 16 HD22 ASN A 484 32.469 -0.717 -22.464 1.00 0.00 H ATOM 17 HD21 ASN A 484 32.547 -2.478 -22.836 1.00 0.00 H ATOM 18 H ASN A 484 30.893 0.040 -26.060 1.00 0.00 H ATOM 19 N MET A 485 28.787 2.358 -25.096 1.00 26.56 N ATOM 20 CA MET A 485 27.975 3.571 -25.207 1.00 24.02 C ATOM 21 C MET A 485 26.589 3.274 -25.807 1.00 21.06 C ATOM 22 O MET A 485 25.551 3.634 -25.198 1.00 21.53 O ATOM 23 CB MET A 485 28.731 4.601 -26.059 1.00 25.86 C ATOM 24 CG MET A 485 28.140 5.965 -26.199 1.00 32.21 C ATOM 25 SD MET A 485 27.736 6.634 -24.576 1.00 46.31 S ATOM 26 CE MET A 485 25.980 6.673 -24.763 1.00 50.50 C ATOM 27 H MET A 485 29.755 2.368 -25.475 1.00 0.00 H ATOM 28 N GLU A 486 26.560 2.620 -26.963 1.00 18.39 N ATOM 29 CA GLU A 486 25.286 2.235 -27.603 1.00 23.26 C ATOM 30 C GLU A 486 24.526 1.211 -26.725 1.00 20.97 C ATOM 31 O GLU A 486 23.320 1.348 -26.521 1.00 19.62 O ATOM 32 CB GLU A 486 25.471 1.700 -29.038 1.00 19.98 C ATOM 33 CG GLU A 486 24.173 1.209 -29.689 1.00 22.23 C ATOM 34 CD GLU A 486 24.316 0.573 -31.089 1.00 25.93 C ATOM 35 OE1 GLU A 486 23.278 0.447 -31.766 1.00 25.68 O ATOM 36 OE2 GLU A 486 25.425 0.181 -31.514 1.00 24.18 O ATOM 37 H GLU A 486 27.457 2.373 -27.429 1.00 0.00 H ATOM 38 N ALA A 487 25.220 0.180 -26.238 1.00 22.09 N ATOM 39 CA ALA A 487 24.570 -0.816 -25.337 1.00 20.10 C ATOM 40 C ALA A 487 23.890 -0.145 -24.089 1.00 18.02 C ATOM 41 O ALA A 487 22.741 -0.454 -23.692 1.00 14.60 O ATOM 42 CB ALA A 487 25.584 -1.878 -24.925 1.00 19.81 C ATOM 43 H ALA A 487 26.223 0.070 -26.489 1.00 0.00 H ATOM 44 N SER A 488 24.562 0.859 -23.558 1.00 19.87 N ATOM 45 CA SER A 488 24.071 1.586 -22.410 1.00 19.61 C ATOM 46 C SER A 488 22.662 2.148 -22.683 1.00 17.81 C ATOM 47 O SER A 488 21.794 2.035 -21.832 1.00 18.28 O ATOM 48 CB SER A 488 25.040 2.694 -21.997 1.00 20.00 C ATOM 49 OG SER A 488 24.826 3.921 -22.681 1.00 24.16 O ATOM 50 HG SER A 488 25.484 4.591 -22.368 1.00 0.00 H ATOM 51 H SER A 488 25.472 1.135 -23.978 1.00 0.00 H ATOM 52 N GLU A 489 22.453 2.741 -23.858 1.00 17.18 N ATOM 53 CA GLU A 489 21.162 3.345 -24.183 1.00 17.12 C ATOM 54 C GLU A 489 20.134 2.234 -24.360 1.00 17.93 C ATOM 55 O GLU A 489 18.991 2.372 -23.969 1.00 18.77 O ATOM 56 CB GLU A 489 21.239 4.182 -25.459 1.00 17.98 C ATOM 57 CG GLU A 489 19.864 4.591 -26.005 1.00 20.46 C ATOM 58 CD GLU A 489 19.077 5.503 -25.075 1.00 19.05 C ATOM 59 OE1 GLU A 489 17.857 5.683 -25.259 1.00 24.73 O ATOM 60 OE2 GLU A 489 19.670 6.071 -24.152 1.00 19.98 O ATOM 61 H GLU A 489 23.223 2.775 -24.557 1.00 0.00 H ATOM 62 N VAL A 490 20.562 1.104 -24.911 1.00 18.50 N ATOM 63 CA VAL A 490 19.683 -0.062 -25.051 1.00 17.51 C ATOM 64 C VAL A 490 19.218 -0.551 -23.697 1.00 19.87 C ATOM 65 O VAL A 490 17.993 -0.733 -23.482 1.00 18.52 O ATOM 66 CB VAL A 490 20.330 -1.164 -25.940 1.00 20.58 C ATOM 67 CG1 VAL A 490 19.551 -2.489 -25.900 1.00 19.47 C ATOM 68 CG2 VAL A 490 20.424 -0.641 -27.380 1.00 21.93 C ATOM 69 H VAL A 490 21.543 1.044 -25.251 1.00 0.00 H ATOM 70 N MET A 491 20.150 -0.660 -22.754 1.00 15.99 N ATOM 71 CA MET A 491 19.811 -1.065 -21.400 1.00 14.98 C ATOM 72 C MET A 491 18.861 -0.022 -20.750 1.00 19.19 C ATOM 73 O MET A 491 17.870 -0.396 -20.098 1.00 14.51 O ATOM 74 CB MET A 491 21.082 -1.197 -20.592 1.00 17.65 C ATOM 75 CG MET A 491 22.026 -2.292 -21.107 1.00 19.97 C ATOM 76 SD MET A 491 21.247 -3.879 -20.868 1.00 24.20 S ATOM 77 CE MET A 491 20.547 -4.285 -22.428 1.00 25.45 C ATOM 78 H MET A 491 21.141 -0.451 -22.990 1.00 0.00 H ATOM 79 N LYS A 492 19.144 1.269 -20.952 1.00 14.54 N ATOM 80 CA LYS A 492 18.236 2.265 -20.462 1.00 19.60 C ATOM 81 C LYS A 492 16.843 2.048 -20.994 1.00 18.67 C ATOM 82 O LYS A 492 15.874 2.005 -20.207 1.00 21.94 O ATOM 83 CB LYS A 492 18.723 3.689 -20.741 1.00 22.18 C ATOM 84 CG LYS A 492 17.806 4.740 -20.100 1.00 23.52 C ATOM 85 CD LYS A 492 17.729 6.020 -20.884 1.00 23.42 C ATOM 86 CE LYS A 492 16.930 5.826 -22.160 1.00 28.31 C ATOM 87 NZ LYS A 492 16.689 7.163 -22.793 1.00 29.74 N ATOM 88 HZ1 LYS A 492 16.157 7.766 -22.134 1.00 0.00 H ATOM 89 HZ2 LYS A 492 17.602 7.610 -23.015 1.00 0.00 H ATOM 90 HZ3 LYS A 492 16.142 7.037 -23.668 1.00 0.00 H ATOM 91 H LYS A 492 20.010 1.547 -21.457 1.00 0.00 H ATOM 92 N GLU A 493 16.729 1.847 -22.303 1.00 20.52 N ATOM 93 CA GLU A 493 15.408 1.667 -22.912 1.00 22.64 C ATOM 94 C GLU A 493 14.678 0.417 -22.370 1.00 23.81 C ATOM 95 O GLU A 493 13.476 0.458 -22.176 1.00 18.87 O ATOM 96 CB GLU A 493 15.503 1.681 -24.440 1.00 27.15 C ATOM 97 CG GLU A 493 16.012 3.047 -24.946 1.00 30.17 C ATOM 98 CD GLU A 493 16.403 3.087 -26.419 1.00 31.82 C ATOM 99 OE1 GLU A 493 16.348 2.046 -27.105 1.00 29.80 O ATOM 100 OE2 GLU A 493 16.757 4.192 -26.894 1.00 28.01 O ATOM 101 H GLU A 493 17.581 1.817 -22.898 1.00 0.00 H ATOM 102 N LYS A 494 15.420 -0.642 -22.055 1.00 21.25 N ATOM 103 CA LYS A 494 14.853 -1.893 -21.498 1.00 22.64 C ATOM 104 C LYS A 494 14.374 -1.633 -20.076 1.00 19.77 C ATOM 105 O LYS A 494 13.303 -2.095 -19.644 1.00 16.68 O ATOM 106 CB LYS A 494 15.915 -3.016 -21.503 1.00 24.21 C ATOM 107 CG LYS A 494 15.770 -4.115 -22.557 1.00 33.67 C ATOM 108 CD LYS A 494 16.018 -3.710 -23.991 1.00 34.38 C ATOM 109 CE LYS A 494 16.443 -4.904 -24.842 1.00 43.92 C ATOM 110 NZ LYS A 494 17.830 -5.429 -24.571 1.00 47.37 N ATOM 111 HZ1 LYS A 494 18.525 -4.677 -24.750 1.00 0.00 H ATOM 112 HZ2 LYS A 494 17.896 -5.735 -23.579 1.00 0.00 H ATOM 113 HZ3 LYS A 494 18.022 -6.236 -25.198 1.00 0.00 H ATOM 114 H LYS A 494 16.447 -0.589 -22.207 1.00 0.00 H ATOM 115 N GLY A 495 15.151 -0.856 -19.354 1.00 17.23 N ATOM 116 CA GLY A 495 14.732 -0.366 -18.035 1.00 20.00 C ATOM 117 C GLY A 495 13.408 0.390 -18.092 1.00 18.68 C ATOM 118 O GLY A 495 12.552 0.193 -17.229 1.00 19.07 O ATOM 119 H GLY A 495 16.083 -0.582 -19.726 1.00 0.00 H ATOM 120 N ASN A 496 13.276 1.273 -19.087 1.00 17.28 N ATOM 121 CA ASN A 496 12.090 2.128 -19.222 1.00 17.34 C ATOM 122 C ASN A 496 10.883 1.238 -19.521 1.00 19.65 C ATOM 123 O ASN A 496 9.825 1.462 -18.978 1.00 23.21 O ATOM 124 CB ASN A 496 12.270 3.215 -20.288 1.00 15.87 C ATOM 125 CG ASN A 496 13.229 4.350 -19.850 1.00 15.76 C ATOM 126 OD1 ASN A 496 13.759 4.388 -18.731 1.00 17.97 O ATOM 127 ND2 ASN A 496 13.446 5.264 -20.741 1.00 15.56 N ATOM 128 HD22 ASN A 496 12.985 5.203 -21.671 1.00 0.00 H ATOM 129 HD21 ASN A 496 14.081 6.059 -20.526 1.00 0.00 H ATOM 130 H ASN A 496 14.039 1.357 -19.789 1.00 0.00 H ATOM 131 N ALA A 497 11.067 0.200 -20.334 1.00 18.88 N ATOM 132 CA ALA A 497 9.984 -0.734 -20.596 1.00 23.79 C ATOM 133 C ALA A 497 9.630 -1.514 -19.323 1.00 23.15 C ATOM 134 O ALA A 497 8.447 -1.685 -19.025 1.00 22.65 O ATOM 135 CB ALA A 497 10.327 -1.672 -21.764 1.00 25.10 C ATOM 136 H ALA A 497 11.993 0.056 -20.785 1.00 0.00 H ATOM 137 N ALA A 498 10.639 -1.960 -18.565 1.00 16.84 N ATOM 138 CA ALA A 498 10.385 -2.659 -17.319 1.00 17.95 C ATOM 139 C ALA A 498 9.636 -1.772 -16.332 1.00 22.01 C ATOM 140 O ALA A 498 8.678 -2.206 -15.665 1.00 23.77 O ATOM 141 CB ALA A 498 11.696 -3.160 -16.707 1.00 19.56 C ATOM 142 H ALA A 498 11.620 -1.803 -18.874 1.00 0.00 H ATOM 143 N TYR A 499 10.089 -0.522 -16.237 1.00 24.11 N ATOM 144 CA TYR A 499 9.472 0.439 -15.362 1.00 24.34 C ATOM 145 C TYR A 499 8.033 0.658 -15.787 1.00 26.65 C ATOM 146 O TYR A 499 7.162 0.658 -14.927 1.00 30.14 O ATOM 147 CB TYR A 499 10.236 1.778 -15.335 1.00 24.25 C ATOM 148 CG TYR A 499 9.683 2.807 -14.363 1.00 25.41 C ATOM 149 CD1 TYR A 499 8.663 3.681 -14.740 1.00 26.69 C ATOM 150 CD2 TYR A 499 10.208 2.932 -13.069 1.00 26.34 C ATOM 151 CE1 TYR A 499 8.180 4.628 -13.866 1.00 23.39 C ATOM 152 CE2 TYR A 499 9.714 3.859 -12.185 1.00 25.39 C ATOM 153 CZ TYR A 499 8.700 4.712 -12.580 1.00 26.42 C ATOM 154 OH TYR A 499 8.214 5.642 -11.677 1.00 28.65 O ATOM 155 HH TYR A 499 7.849 5.172 -10.885 1.00 0.00 H ATOM 156 H TYR A 499 10.908 -0.234 -16.809 1.00 0.00 H ATOM 157 N LYS A 500 7.788 0.867 -17.083 1.00 22.71 N ATOM 158 CA LYS A 500 6.426 1.115 -17.531 1.00 27.45 C ATOM 159 C LYS A 500 5.488 -0.074 -17.257 1.00 22.46 C ATOM 160 O LYS A 500 4.303 0.108 -17.052 1.00 18.77 O ATOM 161 CB LYS A 500 6.398 1.494 -19.015 1.00 32.99 C ATOM 162 CG LYS A 500 6.975 2.870 -19.268 1.00 43.43 C ATOM 163 CD LYS A 500 7.251 3.076 -20.739 1.00 51.27 C ATOM 164 CE LYS A 500 8.202 4.234 -20.928 1.00 55.68 C ATOM 165 NZ LYS A 500 8.368 4.494 -22.375 1.00 56.65 N ATOM 166 HZ1 LYS A 500 8.753 3.645 -22.836 1.00 0.00 H ATOM 167 HZ2 LYS A 500 7.444 4.728 -22.792 1.00 0.00 H ATOM 168 HZ3 LYS A 500 9.022 5.291 -22.510 1.00 0.00 H ATOM 169 H LYS A 500 8.568 0.853 -17.770 1.00 0.00 H ATOM 170 N GLY A 501 6.018 -1.284 -17.266 1.00 22.81 N ATOM 171 CA GLY A 501 5.234 -2.474 -16.887 1.00 22.96 C ATOM 172 C GLY A 501 5.226 -2.799 -15.412 1.00 20.63 C ATOM 173 O GLY A 501 4.873 -3.902 -15.042 1.00 24.77 O ATOM 174 H GLY A 501 7.012 -1.400 -17.547 1.00 0.00 H ATOM 175 N LYS A 502 5.655 -1.876 -14.558 1.00 22.15 N ATOM 176 CA LYS A 502 5.806 -2.118 -13.100 1.00 20.92 C ATOM 177 C LYS A 502 6.784 -3.220 -12.670 1.00 21.24 C ATOM 178 O LYS A 502 6.696 -3.711 -11.563 1.00 23.62 O ATOM 179 CB LYS A 502 4.452 -2.367 -12.417 1.00 26.34 C ATOM 180 CG LYS A 502 3.285 -1.603 -12.991 1.00 25.19 C ATOM 181 CD LYS A 502 3.504 -0.105 -12.938 1.00 27.49 C ATOM 182 CE LYS A 502 2.300 0.601 -13.545 1.00 28.66 C ATOM 183 NZ LYS A 502 2.658 1.959 -14.018 1.00 28.46 N ATOM 184 HZ1 LYS A 502 3.005 2.524 -13.217 1.00 0.00 H ATOM 185 HZ2 LYS A 502 3.402 1.888 -14.742 1.00 0.00 H ATOM 186 HZ3 LYS A 502 1.817 2.415 -14.427 1.00 0.00 H ATOM 187 H LYS A 502 5.898 -0.935 -14.929 1.00 0.00 H ATOM 188 N GLN A 503 7.754 -3.560 -13.500 1.00 24.11 N ATOM 189 CA GLN A 503 8.755 -4.564 -13.145 1.00 24.84 C ATOM 190 C GLN A 503 9.928 -3.827 -12.486 1.00 28.51 C ATOM 191 O GLN A 503 10.978 -3.619 -13.058 1.00 20.16 O ATOM 192 CB GLN A 503 9.219 -5.311 -14.375 1.00 28.99 C ATOM 193 CG GLN A 503 8.115 -5.735 -15.348 1.00 38.14 C ATOM 194 CD GLN A 503 7.699 -7.155 -15.174 1.00 43.61 C ATOM 195 OE1 GLN A 503 7.447 -7.599 -14.052 1.00 53.27 O ATOM 196 NE2 GLN A 503 7.627 -7.892 -16.283 1.00 50.26 N ATOM 197 HE22 GLN A 503 7.851 -7.467 -17.205 1.00 0.00 H ATOM 198 HE21 GLN A 503 7.347 -8.892 -16.226 1.00 0.00 H ATOM 199 H GLN A 503 7.807 -3.101 -14.432 1.00 0.00 H ATOM 200 N TRP A 504 9.734 -3.449 -11.243 1.00 27.86 N ATOM 201 CA TRP A 504 10.609 -2.452 -10.625 1.00 27.65 C ATOM 202 C TRP A 504 12.021 -2.960 -10.475 1.00 28.59 C ATOM 203 O TRP A 504 12.942 -2.183 -10.713 1.00 22.62 O ATOM 204 CB TRP A 504 10.108 -2.042 -9.254 1.00 24.73 C ATOM 205 CG TRP A 504 8.701 -1.591 -9.206 1.00 21.45 C ATOM 206 CD1 TRP A 504 7.758 -2.047 -8.363 1.00 22.30 C ATOM 207 CD2 TRP A 504 8.072 -0.601 -10.031 1.00 21.07 C ATOM 208 NE1 TRP A 504 6.561 -1.411 -8.589 1.00 26.13 N ATOM 209 CE2 TRP A 504 6.715 -0.522 -9.616 1.00 23.37 C ATOM 210 CE3 TRP A 504 8.506 0.216 -11.079 1.00 22.60 C ATOM 211 CZ2 TRP A 504 5.794 0.348 -10.197 1.00 21.77 C ATOM 212 CZ3 TRP A 504 7.571 1.083 -11.685 1.00 24.12 C ATOM 213 CH2 TRP A 504 6.228 1.140 -11.220 1.00 22.80 C ATOM 214 HE1 TRP A 504 5.680 -1.579 -8.063 1.00 0.00 H ATOM 215 H TRP A 504 8.953 -3.861 -10.694 1.00 0.00 H ATOM 216 N ASN A 505 12.191 -4.223 -10.041 1.00 27.59 N ATOM 217 CA ASN A 505 13.550 -4.809 -9.917 1.00 28.29 C ATOM 218 C ASN A 505 14.261 -4.989 -11.248 1.00 25.57 C ATOM 219 O ASN A 505 15.495 -4.756 -11.374 1.00 21.79 O ATOM 220 CB ASN A 505 13.513 -6.162 -9.241 1.00 29.07 C ATOM 221 CG ASN A 505 13.212 -6.049 -7.803 1.00 33.65 C ATOM 222 OD1 ASN A 505 14.035 -5.565 -7.039 1.00 38.08 O ATOM 223 ND2 ASN A 505 12.026 -6.479 -7.410 1.00 36.64 N ATOM 224 HD22 ASN A 505 11.363 -6.883 -8.103 1.00 0.00 H ATOM 225 HD21 ASN A 505 11.755 -6.414 -6.408 1.00 0.00 H ATOM 226 H ASN A 505 11.360 -4.796 -9.789 1.00 0.00 H ATOM 227 N LYS A 506 13.494 -5.464 -12.224 1.00 25.72 N ATOM 228 CA LYS A 506 14.010 -5.596 -13.583 1.00 26.14 C ATOM 229 C LYS A 506 14.501 -4.249 -14.070 1.00 23.45 C ATOM 230 O LYS A 506 15.567 -4.174 -14.672 1.00 16.44 O ATOM 231 CB LYS A 506 12.993 -6.177 -14.556 1.00 32.93 C ATOM 232 CG LYS A 506 13.035 -7.711 -14.615 1.00 51.18 C ATOM 233 CD LYS A 506 11.690 -8.370 -14.921 1.00 54.70 C ATOM 234 CE LYS A 506 11.371 -9.472 -13.907 1.00 65.93 C ATOM 235 NZ LYS A 506 10.096 -10.190 -14.203 1.00 70.15 N ATOM 236 HZ1 LYS A 506 9.307 -9.512 -14.191 1.00 0.00 H ATOM 237 HZ2 LYS A 506 10.159 -10.634 -15.141 1.00 0.00 H ATOM 238 HZ3 LYS A 506 9.937 -10.922 -13.482 1.00 0.00 H ATOM 239 H LYS A 506 12.514 -5.745 -12.017 1.00 0.00 H ATOM 240 N ALA A 507 13.732 -3.201 -13.779 1.00 22.90 N ATOM 241 CA ALA A 507 14.081 -1.830 -14.162 1.00 23.85 C ATOM 242 C ALA A 507 15.396 -1.427 -13.545 1.00 19.84 C ATOM 243 O ALA A 507 16.303 -0.972 -14.235 1.00 18.25 O ATOM 244 CB ALA A 507 12.988 -0.857 -13.742 1.00 27.46 C ATOM 245 H ALA A 507 12.847 -3.362 -13.258 1.00 0.00 H ATOM 246 N VAL A 508 15.490 -1.616 -12.225 1.00 18.63 N ATOM 247 CA VAL A 508 16.723 -1.352 -11.451 1.00 16.99 C ATOM 248 C VAL A 508 17.924 -2.072 -12.082 1.00 17.71 C ATOM 249 O VAL A 508 18.998 -1.510 -12.175 1.00 18.44 O ATOM 250 CB VAL A 508 16.581 -1.808 -9.952 1.00 15.71 C ATOM 251 CG1 VAL A 508 17.931 -1.998 -9.237 1.00 14.76 C ATOM 252 CG2 VAL A 508 15.709 -0.857 -9.150 1.00 17.41 C ATOM 253 H VAL A 508 14.654 -1.967 -11.716 1.00 0.00 H ATOM 254 N ASN A 509 17.731 -3.337 -12.435 1.00 14.94 N ATOM 255 CA ASN A 509 18.804 -4.143 -12.960 1.00 17.10 C ATOM 256 C ASN A 509 19.237 -3.686 -14.361 1.00 18.72 C ATOM 257 O ASN A 509 20.438 -3.641 -14.634 1.00 15.75 O ATOM 258 CB ASN A 509 18.423 -5.621 -12.930 1.00 17.44 C ATOM 259 CG ASN A 509 18.428 -6.178 -11.508 1.00 22.12 C ATOM 260 OD1 ASN A 509 19.205 -5.736 -10.679 1.00 22.09 O ATOM 261 ND2 ASN A 509 17.578 -7.166 -11.238 1.00 23.98 N ATOM 262 HD22 ASN A 509 16.932 -7.513 -11.976 1.00 0.00 H ATOM 263 HD21 ASN A 509 17.560 -7.591 -10.289 1.00 0.00 H ATOM 264 H ASN A 509 16.785 -3.756 -12.330 1.00 0.00 H ATOM 265 N PHE A 510 18.279 -3.296 -15.206 1.00 13.42 N ATOM 266 CA PHE A 510 18.620 -2.734 -16.517 1.00 15.25 C ATOM 267 C PHE A 510 19.368 -1.409 -16.374 1.00 15.53 C ATOM 268 O PHE A 510 20.361 -1.191 -17.068 1.00 18.88 O ATOM 269 CB PHE A 510 17.373 -2.563 -17.442 1.00 16.14 C ATOM 270 CG PHE A 510 16.943 -3.834 -18.141 1.00 18.24 C ATOM 271 CD1 PHE A 510 17.845 -4.574 -18.890 1.00 19.22 C ATOM 272 CD2 PHE A 510 15.625 -4.280 -18.075 1.00 22.79 C ATOM 273 CE1 PHE A 510 17.465 -5.748 -19.516 1.00 16.94 C ATOM 274 CE2 PHE A 510 15.246 -5.466 -18.686 1.00 20.73 C ATOM 275 CZ PHE A 510 16.178 -6.199 -19.409 1.00 19.18 C ATOM 276 H PHE A 510 17.281 -3.392 -14.931 1.00 0.00 H ATOM 277 N TYR A 511 18.945 -0.585 -15.419 1.00 14.12 N ATOM 278 CA TYR A 511 19.500 0.729 -15.223 1.00 13.16 C ATOM 279 C TYR A 511 20.862 0.610 -14.608 1.00 14.72 C ATOM 280 O TYR A 511 21.769 1.390 -14.947 1.00 12.67 O ATOM 281 CB TYR A 511 18.573 1.604 -14.388 1.00 13.56 C ATOM 282 CG TYR A 511 17.219 1.993 -15.019 1.00 14.94 C ATOM 283 CD1 TYR A 511 17.106 2.392 -16.351 1.00 15.85 C ATOM 284 CD2 TYR A 511 16.073 2.036 -14.249 1.00 16.09 C ATOM 285 CE1 TYR A 511 15.883 2.805 -16.881 1.00 14.49 C ATOM 286 CE2 TYR A 511 14.883 2.446 -14.772 1.00 14.06 C ATOM 287 CZ TYR A 511 14.781 2.811 -16.094 1.00 14.57 C ATOM 288 OH TYR A 511 13.544 3.231 -16.586 1.00 15.65 O ATOM 289 HH TYR A 511 13.632 3.458 -17.546 1.00 0.00 H ATOM 290 H TYR A 511 18.182 -0.903 -14.788 1.00 0.00 H ATOM 291 N THR A 512 21.050 -0.406 -13.766 1.00 15.96 N ATOM 292 CA THR A 512 22.392 -0.693 -13.188 1.00 16.01 C ATOM 293 C THR A 512 23.424 -1.029 -14.262 1.00 16.84 C ATOM 294 O THR A 512 24.591 -0.515 -14.290 1.00 15.71 O ATOM 295 CB THR A 512 22.244 -1.763 -12.102 1.00 15.69 C ATOM 296 OG1 THR A 512 21.431 -1.187 -11.080 1.00 12.53 O ATOM 297 CG2 THR A 512 23.597 -2.243 -11.484 1.00 16.30 C ATOM 298 HG1 THR A 512 20.550 -0.941 -11.460 1.00 0.00 H ATOM 299 H THR A 512 20.244 -1.010 -13.508 1.00 0.00 H ATOM 300 N GLU A 513 22.977 -1.828 -15.193 1.00 17.00 N ATOM 301 CA GLU A 513 23.813 -2.196 -16.323 1.00 21.33 C ATOM 302 C GLU A 513 24.091 -1.017 -17.272 1.00 20.00 C ATOM 303 O GLU A 513 25.226 -0.917 -17.795 1.00 17.75 O ATOM 304 CB GLU A 513 23.188 -3.355 -17.080 1.00 19.41 C ATOM 305 CG GLU A 513 23.983 -3.866 -18.265 1.00 21.57 C ATOM 306 CD GLU A 513 25.262 -4.605 -17.880 1.00 22.65 C ATOM 307 OE1 GLU A 513 25.961 -5.117 -18.790 1.00 29.96 O ATOM 308 OE2 GLU A 513 25.539 -4.714 -16.692 1.00 22.35 O ATOM 309 H GLU A 513 22.010 -2.206 -15.125 1.00 0.00 H ATOM 310 N ALA A 514 23.044 -0.213 -17.539 1.00 18.09 N ATOM 311 CA ALA A 514 23.146 1.033 -18.269 1.00 16.88 C ATOM 312 C ALA A 514 24.247 1.878 -17.696 1.00 18.44 C ATOM 313 O ALA A 514 25.120 2.371 -18.419 1.00 18.80 O ATOM 314 CB ALA A 514 21.823 1.792 -18.212 1.00 22.17 C ATOM 315 H ALA A 514 22.105 -0.505 -17.200 1.00 0.00 H ATOM 316 N ILE A 515 24.235 2.004 -16.373 1.00 20.18 N ATOM 317 CA ILE A 515 25.198 2.854 -15.636 1.00 20.86 C ATOM 318 C ILE A 515 26.593 2.229 -15.621 1.00 21.74 C ATOM 319 O ILE A 515 27.597 2.955 -15.720 1.00 22.01 O ATOM 320 CB ILE A 515 24.676 3.118 -14.206 1.00 22.34 C ATOM 321 CG1 ILE A 515 23.489 4.077 -14.266 1.00 20.60 C ATOM 322 CG2 ILE A 515 25.742 3.563 -13.199 1.00 19.03 C ATOM 323 CD1 ILE A 515 22.764 4.091 -12.941 1.00 19.88 C ATOM 324 H ILE A 515 23.517 1.482 -15.831 1.00 0.00 H ATOM 325 N LYS A 516 26.664 0.898 -15.503 1.00 20.68 N ATOM 326 CA LYS A 516 27.969 0.215 -15.572 1.00 21.81 C ATOM 327 C LYS A 516 28.636 0.405 -16.944 1.00 20.32 C ATOM 328 O LYS A 516 29.855 0.554 -17.053 1.00 22.48 O ATOM 329 CB LYS A 516 27.832 -1.262 -15.189 1.00 23.50 C ATOM 330 CG LYS A 516 29.147 -2.030 -15.253 1.00 27.94 C ATOM 331 CD LYS A 516 28.892 -3.484 -14.998 1.00 32.49 C ATOM 332 CE LYS A 516 30.134 -4.247 -14.563 1.00 39.40 C ATOM 333 NZ LYS A 516 29.990 -4.688 -13.136 1.00 47.89 N ATOM 334 HZ1 LYS A 516 29.869 -3.854 -12.527 1.00 0.00 H ATOM 335 HZ2 LYS A 516 29.159 -5.307 -13.048 1.00 0.00 H ATOM 336 HZ3 LYS A 516 30.843 -5.208 -12.847 1.00 0.00 H ATOM 337 H LYS A 516 25.796 0.343 -15.362 1.00 0.00 H ATOM 338 N LEU A 517 27.839 0.426 -17.993 1.00 21.41 N ATOM 339 CA LEU A 517 28.351 0.654 -19.333 1.00 20.36 C ATOM 340 C LEU A 517 28.642 2.141 -19.632 1.00 26.70 C ATOM 341 O LEU A 517 29.571 2.445 -20.386 1.00 23.75 O ATOM 342 CB LEU A 517 27.357 0.106 -20.345 1.00 23.30 C ATOM 343 CG LEU A 517 27.159 -1.419 -20.367 1.00 21.99 C ATOM 344 CD1 LEU A 517 25.885 -1.726 -21.125 1.00 24.40 C ATOM 345 CD2 LEU A 517 28.349 -2.127 -21.010 1.00 23.54 C ATOM 346 H LEU A 517 26.819 0.276 -17.858 1.00 0.00 H ATOM 347 N ASN A 518 27.814 3.051 -19.101 1.00 21.57 N ATOM 348 CA ASN A 518 28.012 4.501 -19.253 1.00 25.50 C ATOM 349 C ASN A 518 27.621 5.188 -17.935 1.00 26.37 C ATOM 350 O ASN A 518 26.436 5.353 -17.647 1.00 22.13 O ATOM 351 CB ASN A 518 27.190 5.035 -20.442 1.00 24.27 C ATOM 352 CG ASN A 518 27.294 6.556 -20.630 1.00 26.47 C ATOM 353 OD1 ASN A 518 28.091 7.254 -19.986 1.00 21.63 O ATOM 354 ND2 ASN A 518 26.449 7.078 -21.513 1.00 27.38 N ATOM 355 HD22 ASN A 518 25.795 6.460 -22.035 1.00 0.00 H ATOM 356 HD21 ASN A 518 26.442 8.104 -21.682 1.00 0.00 H ATOM 357 H ASN A 518 26.993 2.717 -18.556 1.00 0.00 H ATOM 358 N GLY A 519 28.642 5.537 -17.149 1.00 24.14 N ATOM 359 CA GLY A 519 28.530 6.128 -15.831 1.00 22.37 C ATOM 360 C GLY A 519 28.425 7.646 -15.804 1.00 23.02 C ATOM 361 O GLY A 519 28.401 8.241 -14.735 1.00 31.29 O ATOM 362 H GLY A 519 29.601 5.370 -17.515 1.00 0.00 H ATOM 363 N ALA A 520 28.335 8.275 -16.968 1.00 22.78 N ATOM 364 CA ALA A 520 28.311 9.722 -17.091 1.00 24.31 C ATOM 365 C ALA A 520 26.991 10.192 -17.625 1.00 22.08 C ATOM 366 O ALA A 520 26.972 11.190 -18.327 1.00 23.18 O ATOM 367 CB ALA A 520 29.468 10.195 -18.023 1.00 22.39 C ATOM 368 H ALA A 520 28.279 7.704 -17.835 1.00 0.00 H ATOM 369 N ASN A 521 25.890 9.494 -17.321 1.00 25.04 N ATOM 370 CA ASN A 521 24.549 9.923 -17.793 1.00 22.73 C ATOM 371 C ASN A 521 23.611 10.142 -16.634 1.00 21.98 C ATOM 372 O ASN A 521 23.268 9.186 -15.919 1.00 20.50 O ATOM 373 CB ASN A 521 23.950 8.915 -18.751 1.00 26.10 C ATOM 374 CG ASN A 521 22.732 9.467 -19.475 1.00 25.08 C ATOM 375 OD1 ASN A 521 21.631 9.541 -18.914 1.00 26.95 O ATOM 376 ND2 ASN A 521 22.935 9.915 -20.695 1.00 27.58 N ATOM 377 HD22 ASN A 521 23.876 9.833 -21.129 1.00 0.00 H ATOM 378 HD21 ASN A 521 22.154 10.351 -21.225 1.00 0.00 H ATOM 379 H ASN A 521 25.975 8.634 -16.743 1.00 0.00 H ATOM 380 N ALA A 522 23.211 11.399 -16.438 1.00 18.65 N ATOM 381 CA ALA A 522 22.377 11.757 -15.301 1.00 19.31 C ATOM 382 C ALA A 522 21.021 11.074 -15.350 1.00 19.10 C ATOM 383 O ALA A 522 20.491 10.683 -14.306 1.00 19.13 O ATOM 384 CB ALA A 522 22.192 13.254 -15.236 1.00 24.13 C ATOM 385 H ALA A 522 23.501 12.137 -17.111 1.00 0.00 H ATOM 386 N THR A 523 20.438 10.992 -16.552 1.00 20.12 N ATOM 387 CA THR A 523 19.123 10.348 -16.767 1.00 18.56 C ATOM 388 C THR A 523 19.117 8.845 -16.343 1.00 21.01 C ATOM 389 O THR A 523 18.129 8.332 -15.816 1.00 16.69 O ATOM 390 CB THR A 523 18.722 10.566 -18.240 1.00 20.18 C ATOM 391 OG1 THR A 523 18.718 11.963 -18.482 1.00 23.17 O ATOM 392 CG2 THR A 523 17.346 10.016 -18.562 1.00 20.36 C ATOM 393 HG1 THR A 523 19.622 12.329 -18.313 1.00 0.00 H ATOM 394 H THR A 523 20.931 11.399 -17.372 1.00 0.00 H ATOM 395 N TYR A 524 20.246 8.151 -16.491 1.00 19.79 N ATOM 396 CA TYR A 524 20.278 6.720 -16.133 1.00 20.46 C ATOM 397 C TYR A 524 20.113 6.541 -14.635 1.00 20.24 C ATOM 398 O TYR A 524 19.298 5.729 -14.185 1.00 18.43 O ATOM 399 CB TYR A 524 21.612 6.067 -16.528 1.00 20.48 C ATOM 400 CG TYR A 524 21.940 5.922 -17.990 1.00 17.42 C ATOM 401 CD1 TYR A 524 21.187 6.525 -18.979 1.00 14.37 C ATOM 402 CD2 TYR A 524 23.096 5.231 -18.365 1.00 16.50 C ATOM 403 CE1 TYR A 524 21.532 6.392 -20.278 1.00 16.38 C ATOM 404 CE2 TYR A 524 23.436 5.063 -19.680 1.00 14.57 C ATOM 405 CZ TYR A 524 22.682 5.672 -20.640 1.00 15.69 C ATOM 406 OH TYR A 524 23.035 5.553 -21.962 1.00 15.95 O ATOM 407 HH TYR A 524 23.028 4.597 -22.219 1.00 0.00 H ATOM 408 H TYR A 524 21.101 8.617 -16.857 1.00 0.00 H ATOM 409 N TYR A 525 20.868 7.355 -13.879 1.00 17.05 N ATOM 410 CA TYR A 525 20.718 7.473 -12.431 1.00 16.72 C ATOM 411 C TYR A 525 19.315 7.977 -11.954 1.00 15.72 C ATOM 412 O TYR A 525 18.747 7.448 -10.996 1.00 13.06 O ATOM 413 CB TYR A 525 21.830 8.382 -11.833 1.00 17.96 C ATOM 414 CG TYR A 525 23.225 7.721 -11.675 1.00 14.09 C ATOM 415 CD1 TYR A 525 23.530 6.995 -10.549 1.00 14.25 C ATOM 416 CD2 TYR A 525 24.212 7.889 -12.628 1.00 17.81 C ATOM 417 CE1 TYR A 525 24.804 6.400 -10.361 1.00 17.72 C ATOM 418 CE2 TYR A 525 25.502 7.302 -12.468 1.00 15.77 C ATOM 419 CZ TYR A 525 25.773 6.558 -11.327 1.00 15.52 C ATOM 420 OH TYR A 525 26.992 5.971 -11.142 1.00 24.84 O ATOM 421 HH TYR A 525 26.996 5.487 -10.278 1.00 0.00 H ATOM 422 H TYR A 525 21.596 7.930 -14.348 1.00 0.00 H ATOM 423 N CYS A 526 18.804 9.006 -12.612 1.00 16.56 N ATOM 424 CA CYS A 526 17.499 9.567 -12.252 1.00 16.27 C ATOM 425 C CYS A 526 16.384 8.574 -12.461 1.00 16.86 C ATOM 426 O CYS A 526 15.452 8.497 -11.657 1.00 19.45 O ATOM 427 CB CYS A 526 17.192 10.789 -13.080 1.00 17.16 C ATOM 428 SG CYS A 526 16.142 11.924 -12.140 1.00 22.16 S ATOM 429 H CYS A 526 19.339 9.424 -13.400 1.00 0.00 H ATOM 430 N ASN A 527 16.446 7.852 -13.585 1.00 18.61 N ATOM 431 CA ASN A 527 15.521 6.777 -13.831 1.00 18.17 C ATOM 432 C ASN A 527 15.663 5.682 -12.752 1.00 18.46 C ATOM 433 O ASN A 527 14.671 5.164 -12.252 1.00 19.89 O ATOM 434 CB ASN A 527 15.710 6.186 -15.236 1.00 18.49 C ATOM 435 CG ASN A 527 15.212 7.097 -16.335 1.00 18.01 C ATOM 436 OD1 ASN A 527 14.596 8.144 -16.084 1.00 21.03 O ATOM 437 ND2 ASN A 527 15.473 6.713 -17.557 1.00 18.15 N ATOM 438 HD22 ASN A 527 15.992 5.828 -17.724 1.00 0.00 H ATOM 439 HD21 ASN A 527 15.161 7.293 -18.362 1.00 0.00 H ATOM 440 H ASN A 527 17.175 8.071 -14.294 1.00 0.00 H ATOM 441 N ARG A 528 16.872 5.318 -12.384 1.00 18.01 N ATOM 442 CA ARG A 528 16.988 4.272 -11.391 1.00 16.63 C ATOM 443 C ARG A 528 16.424 4.713 -10.055 1.00 17.15 C ATOM 444 O ARG A 528 15.821 3.902 -9.347 1.00 16.19 O ATOM 445 CB ARG A 528 18.425 3.795 -11.223 1.00 15.84 C ATOM 446 CG ARG A 528 18.461 2.442 -10.533 1.00 16.54 C ATOM 447 CD ARG A 528 19.831 1.815 -10.527 1.00 16.42 C ATOM 448 NE ARG A 528 20.814 2.671 -9.870 1.00 18.52 N ATOM 449 CZ ARG A 528 22.098 2.323 -9.690 1.00 20.21 C ATOM 450 NH1 ARG A 528 22.564 1.114 -10.046 1.00 16.17 N ATOM 451 NH2 ARG A 528 22.914 3.177 -9.123 1.00 19.77 N ATOM 452 HE ARG A 528 20.503 3.601 -9.523 1.00 0.00 H ATOM 453 HH12 ARG A 528 23.565 0.877 -9.893 1.00 0.00 H ATOM 454 HH11 ARG A 528 21.924 0.416 -10.475 1.00 0.00 H ATOM 455 HH22 ARG A 528 23.912 2.924 -8.976 1.00 0.00 H ATOM 456 HH21 ARG A 528 22.564 4.108 -8.820 1.00 0.00 H ATOM 457 H ARG A 528 17.716 5.767 -12.793 1.00 0.00 H ATOM 458 N ALA A 529 16.660 5.989 -9.677 1.00 16.00 N ATOM 459 CA ALA A 529 15.951 6.538 -8.524 1.00 16.29 C ATOM 460 C ALA A 529 14.453 6.291 -8.552 1.00 15.98 C ATOM 461 O ALA A 529 13.859 5.933 -7.528 1.00 15.42 O ATOM 462 CB ALA A 529 16.184 8.026 -8.383 1.00 16.74 C ATOM 463 H ALA A 529 17.340 6.575 -10.202 1.00 0.00 H ATOM 464 N ALA A 530 13.838 6.580 -9.691 1.00 14.58 N ATOM 465 CA ALA A 530 12.388 6.355 -9.840 1.00 17.43 C ATOM 466 C ALA A 530 12.041 4.904 -9.553 1.00 16.88 C ATOM 467 O ALA A 530 11.095 4.624 -8.855 1.00 17.33 O ATOM 468 CB ALA A 530 11.949 6.713 -11.250 1.00 14.65 C ATOM 469 H ALA A 530 14.383 6.969 -10.487 1.00 0.00 H ATOM 470 N ALA A 531 12.788 3.950 -10.126 1.00 18.59 N ATOM 471 CA ALA A 531 12.512 2.510 -9.813 1.00 19.37 C ATOM 472 C ALA A 531 12.675 2.209 -8.315 1.00 17.91 C ATOM 473 O ALA A 531 11.825 1.518 -7.730 1.00 17.70 O ATOM 474 CB ALA A 531 13.384 1.575 -10.637 1.00 20.66 C ATOM 475 H ALA A 531 13.553 4.207 -10.782 1.00 0.00 H ATOM 476 N PHE A 532 13.677 2.834 -7.670 1.00 17.93 N ATOM 477 CA PHE A 532 13.892 2.652 -6.229 1.00 20.33 C ATOM 478 C PHE A 532 12.783 3.234 -5.345 1.00 21.96 C ATOM 479 O PHE A 532 12.389 2.617 -4.344 1.00 20.88 O ATOM 480 CB PHE A 532 15.243 3.224 -5.775 1.00 18.55 C ATOM 481 CG PHE A 532 16.441 2.326 -6.025 1.00 20.40 C ATOM 482 CD1 PHE A 532 16.406 0.939 -5.766 1.00 21.22 C ATOM 483 CD2 PHE A 532 17.647 2.885 -6.459 1.00 20.30 C ATOM 484 CE1 PHE A 532 17.534 0.163 -5.959 1.00 19.76 C ATOM 485 CE2 PHE A 532 18.770 2.091 -6.691 1.00 19.67 C ATOM 486 CZ PHE A 532 18.718 0.746 -6.429 1.00 20.10 C ATOM 487 H PHE A 532 14.313 3.460 -8.204 1.00 0.00 H ATOM 488 N LEU A 533 12.305 4.423 -5.695 1.00 20.70 N ATOM 489 CA LEU A 533 11.152 4.993 -5.031 1.00 21.14 C ATOM 490 C LEU A 533 9.958 4.026 -4.984 1.00 25.51 C ATOM 491 O LEU A 533 9.293 3.870 -3.982 1.00 24.22 O ATOM 492 CB LEU A 533 10.719 6.250 -5.760 1.00 21.38 C ATOM 493 CG LEU A 533 11.549 7.497 -5.499 1.00 20.62 C ATOM 494 CD1 LEU A 533 10.891 8.703 -6.148 1.00 21.11 C ATOM 495 CD2 LEU A 533 11.701 7.739 -4.024 1.00 19.74 C ATOM 496 H LEU A 533 12.768 4.954 -6.460 1.00 0.00 H ATOM 497 N GLU A 534 9.712 3.357 -6.081 1.00 24.98 N ATOM 498 CA GLU A 534 8.570 2.466 -6.138 1.00 29.77 C ATOM 499 C GLU A 534 8.729 1.221 -5.235 1.00 27.68 C ATOM 500 O GLU A 534 7.746 0.619 -4.853 1.00 30.12 O ATOM 501 CB GLU A 534 8.358 2.084 -7.575 1.00 26.34 C ATOM 502 CG GLU A 534 7.974 3.268 -8.464 1.00 28.56 C ATOM 503 CD GLU A 534 6.468 3.541 -8.491 1.00 30.36 C ATOM 504 OE1 GLU A 534 5.732 2.839 -7.767 1.00 30.71 O ATOM 505 OE2 GLU A 534 6.034 4.415 -9.275 1.00 27.96 O ATOM 506 H GLU A 534 10.333 3.464 -6.908 1.00 0.00 H ATOM 507 N LEU A 535 9.978 0.861 -4.930 1.00 26.77 N ATOM 508 CA LEU A 535 10.333 -0.253 -4.054 1.00 26.14 C ATOM 509 C LEU A 535 10.436 0.120 -2.593 1.00 26.78 C ATOM 510 O LEU A 535 10.676 -0.744 -1.766 1.00 26.50 O ATOM 511 CB LEU A 535 11.679 -0.841 -4.495 1.00 24.94 C ATOM 512 CG LEU A 535 11.625 -1.660 -5.781 1.00 28.51 C ATOM 513 CD1 LEU A 535 13.037 -2.027 -6.232 1.00 30.51 C ATOM 514 CD2 LEU A 535 10.766 -2.904 -5.594 1.00 28.59 C ATOM 515 H LEU A 535 10.754 1.414 -5.346 1.00 0.00 H ATOM 516 N CYS A 536 10.259 1.413 -2.306 1.00 28.65 N ATOM 517 CA CYS A 536 10.548 2.038 -1.027 1.00 24.81 C ATOM 518 C CYS A 536 12.017 1.978 -0.658 1.00 24.14 C ATOM 519 O CYS A 536 12.347 2.041 0.532 1.00 19.68 O ATOM 520 CB CYS A 536 9.671 1.464 0.085 1.00 25.03 C ATOM 521 SG CYS A 536 7.941 1.602 -0.370 1.00 27.46 S ATOM 522 H CYS A 536 9.883 2.022 -3.061 1.00 0.00 H ATOM 523 N CYS A 537 12.905 1.911 -1.655 1.00 22.39 N ATOM 524 CA CYS A 537 14.344 2.030 -1.380 1.00 24.05 C ATOM 525 C CYS A 537 14.751 3.495 -1.407 1.00 25.84 C ATOM 526 O CYS A 537 15.468 3.940 -2.320 1.00 27.22 O ATOM 527 CB CYS A 537 15.154 1.209 -2.382 1.00 22.25 C ATOM 528 SG CYS A 537 14.764 -0.531 -2.249 1.00 27.53 S ATOM 529 H CYS A 537 12.575 1.774 -2.632 1.00 0.00 H ATOM 530 N PHE A 538 14.326 4.245 -0.393 1.00 23.76 N ATOM 531 CA PHE A 538 14.497 5.722 -0.383 1.00 20.20 C ATOM 532 C PHE A 538 15.931 6.203 -0.273 1.00 27.21 C ATOM 533 O PHE A 538 16.283 7.215 -0.921 1.00 28.20 O ATOM 534 CB PHE A 538 13.650 6.323 0.734 1.00 20.55 C ATOM 535 CG PHE A 538 12.190 6.027 0.567 1.00 18.68 C ATOM 536 CD1 PHE A 538 11.505 6.511 -0.541 1.00 17.50 C ATOM 537 CD2 PHE A 538 11.523 5.188 1.448 1.00 21.41 C ATOM 538 CE1 PHE A 538 10.149 6.224 -0.745 1.00 17.57 C ATOM 539 CE2 PHE A 538 10.166 4.881 1.234 1.00 19.77 C ATOM 540 CZ PHE A 538 9.487 5.407 0.145 1.00 17.17 C ATOM 541 H PHE A 538 13.861 3.785 0.415 1.00 0.00 H ATOM 542 N GLN A 539 16.786 5.493 0.483 1.00 23.70 N ATOM 543 CA GLN A 539 18.206 5.947 0.597 1.00 22.80 C ATOM 544 C GLN A 539 18.948 5.798 -0.711 1.00 22.32 C ATOM 545 O GLN A 539 19.780 6.643 -1.093 1.00 25.61 O ATOM 546 CB GLN A 539 18.964 5.183 1.688 1.00 29.87 C ATOM 547 CG GLN A 539 18.987 5.904 3.033 1.00 37.71 C ATOM 548 CD GLN A 539 19.579 5.068 4.154 1.00 44.80 C ATOM 549 OE1 GLN A 539 20.210 4.031 3.917 1.00 46.49 O ATOM 550 NE2 GLN A 539 19.370 5.518 5.395 1.00 57.19 N ATOM 551 HE22 GLN A 539 18.833 6.396 5.546 1.00 0.00 H ATOM 552 HE21 GLN A 539 19.744 4.990 6.209 1.00 0.00 H ATOM 553 H GLN A 539 16.464 4.639 0.982 1.00 0.00 H ATOM 554 N GLN A 540 18.669 4.681 -1.376 1.00 20.68 N ATOM 555 CA GLN A 540 19.278 4.394 -2.666 1.00 24.08 C ATOM 556 C GLN A 540 18.742 5.361 -3.707 1.00 19.53 C ATOM 557 O GLN A 540 19.469 5.746 -4.610 1.00 17.43 O ATOM 558 CB GLN A 540 19.034 2.925 -3.089 1.00 22.29 C ATOM 559 CG GLN A 540 19.673 1.930 -2.124 1.00 25.63 C ATOM 560 CD GLN A 540 19.367 0.501 -2.525 1.00 26.31 C ATOM 561 OE1 GLN A 540 18.416 -0.124 -2.027 1.00 30.84 O ATOM 562 NE2 GLN A 540 20.121 0.006 -3.474 1.00 25.34 N ATOM 563 HE22 GLN A 540 20.907 0.568 -3.860 1.00 0.00 H ATOM 564 HE21 GLN A 540 19.934 -0.949 -3.842 1.00 0.00 H ATOM 565 H GLN A 540 18.001 3.998 -0.965 1.00 0.00 H ATOM 566 N ALA A 541 17.462 5.723 -3.597 1.00 18.72 N ATOM 567 CA ALA A 541 16.900 6.721 -4.528 1.00 24.01 C ATOM 568 C ALA A 541 17.616 8.074 -4.370 1.00 22.71 C ATOM 569 O ALA A 541 17.987 8.700 -5.362 1.00 20.94 O ATOM 570 CB ALA A 541 15.394 6.878 -4.312 1.00 22.93 C ATOM 571 H ALA A 541 16.863 5.303 -2.858 1.00 0.00 H ATOM 572 N GLU A 542 17.807 8.484 -3.104 1.00 27.34 N ATOM 573 CA GLU A 542 18.509 9.721 -2.759 1.00 27.14 C ATOM 574 C GLU A 542 19.912 9.748 -3.309 1.00 27.10 C ATOM 575 O GLU A 542 20.290 10.724 -3.955 1.00 27.40 O ATOM 576 CB GLU A 542 18.552 9.950 -1.241 1.00 31.71 C ATOM 577 CG GLU A 542 17.227 10.465 -0.702 1.00 37.12 C ATOM 578 CD GLU A 542 17.092 10.420 0.824 1.00 45.38 C ATOM 579 OE1 GLU A 542 18.007 9.914 1.539 1.00 40.27 O ATOM 580 OE2 GLU A 542 16.029 10.881 1.305 1.00 39.80 O ATOM 581 H GLU A 542 17.438 7.893 -2.332 1.00 0.00 H ATOM 582 N GLN A 543 20.675 8.678 -3.071 1.00 25.06 N ATOM 583 CA GLN A 543 22.067 8.643 -3.525 1.00 26.26 C ATOM 584 C GLN A 543 22.077 8.790 -5.028 1.00 20.40 C ATOM 585 O GLN A 543 22.852 9.543 -5.579 1.00 22.63 O ATOM 586 CB GLN A 543 22.759 7.348 -3.144 1.00 26.39 C ATOM 587 CG GLN A 543 23.065 7.251 -1.683 1.00 36.22 C ATOM 588 CD GLN A 543 23.051 5.826 -1.210 1.00 44.81 C ATOM 589 OE1 GLN A 543 23.632 4.947 -1.841 1.00 51.42 O ATOM 590 NE2 GLN A 543 22.374 5.583 -0.104 1.00 49.89 N ATOM 591 HE22 GLN A 543 21.898 6.361 0.396 1.00 0.00 H ATOM 592 HE21 GLN A 543 22.316 4.614 0.268 1.00 0.00 H ATOM 593 H GLN A 543 20.278 7.864 -2.560 1.00 0.00 H ATOM 594 N ASP A 544 21.177 8.079 -5.687 1.00 20.74 N ATOM 595 CA ASP A 544 21.070 8.200 -7.151 1.00 21.30 C ATOM 596 C ASP A 544 20.656 9.586 -7.656 1.00 17.32 C ATOM 597 O ASP A 544 21.134 10.000 -8.697 1.00 17.54 O ATOM 598 CB ASP A 544 20.089 7.163 -7.712 1.00 22.60 C ATOM 599 CG ASP A 544 20.717 5.814 -7.970 1.00 25.19 C ATOM 600 OD1 ASP A 544 21.948 5.607 -7.679 1.00 21.88 O ATOM 601 OD2 ASP A 544 19.924 4.950 -8.435 1.00 19.69 O ATOM 602 H ASP A 544 20.545 7.434 -5.171 1.00 0.00 H ATOM 603 N CYS A 545 19.677 10.232 -7.019 1.00 18.34 N ATOM 604 CA CYS A 545 19.357 11.604 -7.397 1.00 18.13 C ATOM 605 C CYS A 545 20.514 12.505 -7.107 1.00 19.08 C ATOM 606 O CYS A 545 20.719 13.456 -7.837 1.00 20.92 O ATOM 607 CB CYS A 545 18.184 12.175 -6.635 1.00 15.76 C ATOM 608 SG CYS A 545 16.703 11.265 -6.912 1.00 18.89 S ATOM 609 H CYS A 545 19.146 9.761 -6.259 1.00 0.00 H ATOM 610 N THR A 546 21.225 12.246 -6.009 1.00 23.75 N ATOM 611 CA THR A 546 22.407 13.048 -5.672 1.00 23.55 C ATOM 612 C THR A 546 23.533 12.887 -6.710 1.00 25.87 C ATOM 613 O THR A 546 24.213 13.877 -7.006 1.00 26.40 O ATOM 614 CB THR A 546 22.881 12.798 -4.221 1.00 23.21 C ATOM 615 OG1 THR A 546 21.849 13.214 -3.306 1.00 22.03 O ATOM 616 CG2 THR A 546 24.163 13.630 -3.889 1.00 25.82 C ATOM 617 HG1 THR A 546 22.150 13.055 -2.376 1.00 0.00 H ATOM 618 H THR A 546 20.938 11.466 -5.384 1.00 0.00 H ATOM 619 N LYS A 547 23.722 11.684 -7.281 1.00 23.11 N ATOM 620 CA LYS A 547 24.727 11.503 -8.350 1.00 22.95 C ATOM 621 C LYS A 547 24.298 12.141 -9.652 1.00 22.20 C ATOM 622 O LYS A 547 25.126 12.706 -10.423 1.00 19.62 O ATOM 623 CB LYS A 547 25.000 10.019 -8.616 1.00 30.28 C ATOM 624 CG LYS A 547 26.153 9.769 -9.589 1.00 35.92 C ATOM 625 CD LYS A 547 27.450 9.479 -8.848 1.00 45.51 C ATOM 626 CE LYS A 547 28.584 9.072 -9.786 1.00 44.31 C ATOM 627 NZ LYS A 547 29.227 7.806 -9.326 1.00 45.53 N ATOM 628 HZ1 LYS A 547 29.615 7.943 -8.371 1.00 0.00 H ATOM 629 HZ2 LYS A 547 28.518 7.045 -9.308 1.00 0.00 H ATOM 630 HZ3 LYS A 547 29.994 7.551 -9.980 1.00 0.00 H ATOM 631 H LYS A 547 23.154 10.871 -6.967 1.00 0.00 H ATOM 632 N ALA A 548 22.997 12.036 -9.921 1.00 19.19 N ATOM 633 CA ALA A 548 22.418 12.659 -11.109 1.00 21.42 C ATOM 634 C ALA A 548 22.677 14.179 -11.101 1.00 22.17 C ATOM 635 O ALA A 548 22.947 14.772 -12.135 1.00 21.01 O ATOM 636 CB ALA A 548 20.926 12.366 -11.203 1.00 19.94 C ATOM 637 H ALA A 548 22.383 11.501 -9.274 1.00 0.00 H ATOM 638 N MET A 549 22.603 14.791 -9.927 1.00 23.64 N ATOM 639 CA MET A 549 22.842 16.242 -9.844 1.00 25.74 C ATOM 640 C MET A 549 24.337 16.580 -10.029 1.00 23.05 C ATOM 641 O MET A 549 24.636 17.623 -10.551 1.00 25.72 O ATOM 642 CB MET A 549 22.339 16.787 -8.529 1.00 21.81 C ATOM 643 CG MET A 549 20.849 16.674 -8.306 1.00 25.75 C ATOM 644 SD MET A 549 20.528 16.940 -6.558 1.00 27.78 S ATOM 645 CE MET A 549 18.806 16.414 -6.442 1.00 28.80 C ATOM 646 H MET A 549 22.377 14.249 -9.069 1.00 0.00 H ATOM 647 N LEU A 550 25.246 15.694 -9.616 1.00 26.95 N ATOM 648 CA LEU A 550 26.705 15.858 -9.866 1.00 27.02 C ATOM 649 C LEU A 550 27.016 15.882 -11.354 1.00 30.16 C ATOM 650 O LEU A 550 27.764 16.713 -11.841 1.00 27.76 O ATOM 651 CB LEU A 550 27.509 14.724 -9.234 1.00 31.24 C ATOM 652 CG LEU A 550 27.480 14.466 -7.730 1.00 39.01 C ATOM 653 CD1 LEU A 550 28.421 13.311 -7.409 1.00 48.34 C ATOM 654 CD2 LEU A 550 27.874 15.703 -6.944 1.00 42.21 C ATOM 655 H LEU A 550 24.921 14.853 -9.097 1.00 0.00 H ATOM 656 N ILE A 551 26.400 14.956 -12.077 1.00 32.25 N ATOM 657 CA ILE A 551 26.526 14.891 -13.516 1.00 30.70 C ATOM 658 C ILE A 551 25.817 16.087 -14.164 1.00 27.99 C ATOM 659 O ILE A 551 26.352 16.711 -15.067 1.00 26.18 O ATOM 660 CB ILE A 551 25.983 13.536 -14.052 1.00 29.00 C ATOM 661 CG1 ILE A 551 26.874 12.385 -13.560 1.00 30.71 C ATOM 662 CG2 ILE A 551 25.928 13.538 -15.576 1.00 35.98 C ATOM 663 CD1 ILE A 551 26.231 11.000 -13.621 1.00 26.31 C ATOM 664 H ILE A 551 25.806 14.253 -11.592 1.00 0.00 H ATOM 665 N ASP A 552 24.617 16.429 -13.691 1.00 29.11 N ATOM 666 CA ASP A 552 23.876 17.532 -14.278 1.00 24.96 C ATOM 667 C ASP A 552 22.979 18.205 -13.253 1.00 28.55 C ATOM 668 O ASP A 552 21.862 17.742 -12.928 1.00 24.72 O ATOM 669 CB ASP A 552 23.066 17.022 -15.456 1.00 28.08 C ATOM 670 CG ASP A 552 22.180 18.087 -16.103 1.00 24.93 C ATOM 671 OD1 ASP A 552 22.454 19.306 -16.013 1.00 27.44 O ATOM 672 OD2 ASP A 552 21.195 17.664 -16.727 1.00 25.44 O ATOM 673 H ASP A 552 24.208 15.901 -12.894 1.00 0.00 H ATOM 674 N LYS A 553 23.483 19.334 -12.796 1.00 27.73 N ATOM 675 CA LYS A 553 22.779 20.203 -11.856 1.00 28.97 C ATOM 676 C LYS A 553 21.393 20.588 -12.250 1.00 24.28 C ATOM 677 O LYS A 553 20.600 20.886 -11.378 1.00 27.14 O ATOM 678 CB LYS A 553 23.578 21.506 -11.637 1.00 42.51 C ATOM 679 CG LYS A 553 24.509 21.441 -10.435 1.00 53.82 C ATOM 680 CD LYS A 553 25.049 22.805 -10.021 1.00 65.29 C ATOM 681 CE LYS A 553 25.331 22.843 -8.523 1.00 70.14 C ATOM 682 NZ LYS A 553 25.912 24.146 -8.103 1.00 79.02 N ATOM 683 HZ1 LYS A 553 26.807 24.304 -8.608 1.00 0.00 H ATOM 684 HZ2 LYS A 553 25.245 24.911 -8.330 1.00 0.00 H ATOM 685 HZ3 LYS A 553 26.089 24.131 -7.078 1.00 0.00 H ATOM 686 H LYS A 553 24.429 19.620 -13.121 1.00 0.00 H ATOM 687 N LYS A 554 21.107 20.657 -13.554 1.00 25.99 N ATOM 688 CA LYS A 554 19.822 21.145 -14.025 1.00 24.54 C ATOM 689 C LYS A 554 18.770 20.028 -14.221 1.00 20.98 C ATOM 690 O LYS A 554 17.722 20.291 -14.728 1.00 18.99 O ATOM 691 CB LYS A 554 20.028 21.973 -15.286 1.00 30.49 C ATOM 692 CG LYS A 554 20.834 23.239 -15.010 1.00 36.04 C ATOM 693 CD LYS A 554 21.178 23.971 -16.290 1.00 42.28 C ATOM 694 CE LYS A 554 21.716 25.362 -15.994 1.00 46.90 C ATOM 695 NZ LYS A 554 22.322 25.991 -17.202 1.00 52.80 N ATOM 696 HZ1 LYS A 554 23.109 25.401 -17.540 1.00 0.00 H ATOM 697 HZ2 LYS A 554 21.602 26.071 -17.948 1.00 0.00 H ATOM 698 HZ3 LYS A 554 22.677 26.938 -16.958 1.00 0.00 H ATOM 699 H LYS A 554 21.821 20.354 -14.247 1.00 0.00 H ATOM 700 N ASN A 555 19.060 18.788 -13.817 1.00 21.11 N ATOM 701 CA ASN A 555 18.098 17.711 -13.909 1.00 19.72 C ATOM 702 C ASN A 555 16.901 17.863 -12.961 1.00 22.19 C ATOM 703 O ASN A 555 17.000 17.547 -11.780 1.00 23.12 O ATOM 704 CB ASN A 555 18.746 16.349 -13.632 1.00 22.66 C ATOM 705 CG ASN A 555 17.815 15.225 -13.978 1.00 22.17 C ATOM 706 OD1 ASN A 555 16.743 15.096 -13.366 1.00 22.98 O ATOM 707 ND2 ASN A 555 18.123 14.506 -15.055 1.00 28.84 N ATOM 708 HD22 ASN A 555 19.035 14.651 -15.534 1.00 0.00 H ATOM 709 HD21 ASN A 555 17.452 13.799 -15.418 1.00 0.00 H ATOM 710 H ASN A 555 20.003 18.591 -13.426 1.00 0.00 H ATOM 711 N VAL A 556 15.760 18.259 -13.506 1.00 18.89 N ATOM 712 CA VAL A 556 14.614 18.625 -12.696 1.00 21.92 C ATOM 713 C VAL A 556 14.117 17.454 -11.865 1.00 20.28 C ATOM 714 O VAL A 556 13.806 17.599 -10.683 1.00 20.56 O ATOM 715 CB VAL A 556 13.429 19.126 -13.542 1.00 22.15 C ATOM 716 CG1 VAL A 556 12.215 19.425 -12.645 1.00 22.48 C ATOM 717 CG2 VAL A 556 13.823 20.361 -14.328 1.00 25.92 C ATOM 718 H VAL A 556 15.684 18.309 -14.542 1.00 0.00 H ATOM 719 N LYS A 557 13.980 16.320 -12.514 1.00 19.38 N ATOM 720 CA LYS A 557 13.483 15.115 -11.880 1.00 19.57 C ATOM 721 C LYS A 557 14.338 14.598 -10.723 1.00 16.92 C ATOM 722 O LYS A 557 13.799 14.031 -9.793 1.00 19.34 O ATOM 723 CB LYS A 557 13.185 14.032 -12.929 1.00 20.95 C ATOM 724 CG LYS A 557 11.976 14.383 -13.797 1.00 21.53 C ATOM 725 CD LYS A 557 11.420 13.189 -14.565 1.00 20.12 C ATOM 726 CE LYS A 557 10.539 13.604 -15.744 1.00 22.34 C ATOM 727 NZ LYS A 557 9.974 12.445 -16.529 1.00 19.75 N ATOM 728 HZ1 LYS A 557 10.754 11.876 -16.915 1.00 0.00 H ATOM 729 HZ2 LYS A 557 9.390 11.855 -15.902 1.00 0.00 H ATOM 730 HZ3 LYS A 557 9.390 12.808 -17.309 1.00 0.00 H ATOM 731 H LYS A 557 14.238 16.286 -13.521 1.00 0.00 H ATOM 732 N ALA A 558 15.638 14.872 -10.734 1.00 15.79 N ATOM 733 CA ALA A 558 16.508 14.536 -9.613 1.00 16.46 C ATOM 734 C ALA A 558 16.110 15.239 -8.307 1.00 17.18 C ATOM 735 O ALA A 558 16.146 14.640 -7.220 1.00 15.74 O ATOM 736 CB ALA A 558 17.979 14.795 -9.994 1.00 13.51 C ATOM 737 H ALA A 558 16.048 15.340 -11.567 1.00 0.00 H ATOM 738 N TYR A 559 15.703 16.511 -8.417 1.00 18.67 N ATOM 739 CA TYR A 559 15.218 17.274 -7.299 1.00 17.99 C ATOM 740 C TYR A 559 13.825 16.802 -6.807 1.00 20.48 C ATOM 741 O TYR A 559 13.603 16.613 -5.589 1.00 17.17 O ATOM 742 CB TYR A 559 15.268 18.789 -7.600 1.00 17.99 C ATOM 743 CG TYR A 559 16.658 19.238 -7.868 1.00 19.59 C ATOM 744 CD1 TYR A 559 17.598 19.397 -6.823 1.00 24.33 C ATOM 745 CD2 TYR A 559 17.087 19.433 -9.141 1.00 22.21 C ATOM 746 CE1 TYR A 559 18.922 19.738 -7.089 1.00 21.78 C ATOM 747 CE2 TYR A 559 18.403 19.767 -9.414 1.00 21.90 C ATOM 748 CZ TYR A 559 19.314 19.929 -8.393 1.00 22.96 C ATOM 749 OH TYR A 559 20.603 20.275 -8.727 1.00 23.52 O ATOM 750 HH TYR A 559 21.145 20.357 -7.903 1.00 0.00 H ATOM 751 H TYR A 559 15.740 16.966 -9.351 1.00 0.00 H ATOM 752 N LEU A 560 12.896 16.629 -7.754 1.00 20.08 N ATOM 753 CA LEU A 560 11.548 16.102 -7.462 1.00 18.41 C ATOM 754 C LEU A 560 11.594 14.772 -6.738 1.00 17.62 C ATOM 755 O LEU A 560 10.939 14.592 -5.724 1.00 15.66 O ATOM 756 CB LEU A 560 10.776 15.918 -8.749 1.00 18.36 C ATOM 757 CG LEU A 560 10.463 17.216 -9.530 1.00 21.13 C ATOM 758 CD1 LEU A 560 9.595 16.902 -10.737 1.00 21.76 C ATOM 759 CD2 LEU A 560 9.735 18.212 -8.671 1.00 19.35 C ATOM 760 H LEU A 560 13.133 16.876 -8.736 1.00 0.00 H ATOM 761 N ARG A 561 12.392 13.846 -7.277 1.00 21.10 N ATOM 762 CA ARG A 561 12.590 12.503 -6.696 1.00 23.58 C ATOM 763 C ARG A 561 13.364 12.461 -5.362 1.00 26.50 C ATOM 764 O ARG A 561 12.938 11.733 -4.437 1.00 23.34 O ATOM 765 CB ARG A 561 13.222 11.546 -7.713 1.00 24.45 C ATOM 766 CG ARG A 561 12.242 11.182 -8.852 1.00 28.20 C ATOM 767 CD ARG A 561 12.844 10.320 -9.962 1.00 26.03 C ATOM 768 NE ARG A 561 11.814 10.133 -10.963 1.00 21.82 N ATOM 769 CZ ARG A 561 11.983 10.140 -12.270 1.00 18.73 C ATOM 770 NH1 ARG A 561 13.185 10.261 -12.824 1.00 17.86 N ATOM 771 NH2 ARG A 561 10.922 10.006 -13.027 1.00 20.69 N ATOM 772 HE ARG A 561 10.846 9.978 -10.616 1.00 0.00 H ATOM 773 HH12 ARG A 561 13.283 10.263 -13.859 1.00 0.00 H ATOM 774 HH11 ARG A 561 14.028 10.354 -12.222 1.00 0.00 H ATOM 775 HH22 ARG A 561 11.019 10.007 -14.063 1.00 0.00 H ATOM 776 HH21 ARG A 561 9.983 9.899 -12.592 1.00 0.00 H ATOM 777 H ARG A 561 12.901 14.084 -8.152 1.00 0.00 H ATOM 778 N ARG A 562 14.464 13.220 -5.236 1.00 21.78 N ATOM 779 CA ARG A 562 15.150 13.288 -3.948 1.00 20.94 C ATOM 780 C ARG A 562 14.223 13.917 -2.903 1.00 27.89 C ATOM 781 O ARG A 562 14.149 13.446 -1.753 1.00 24.12 O ATOM 782 CB ARG A 562 16.466 14.052 -4.022 1.00 21.91 C ATOM 783 CG ARG A 562 17.381 13.682 -2.864 1.00 23.30 C ATOM 784 CD ARG A 562 18.782 14.223 -2.957 1.00 21.69 C ATOM 785 NE ARG A 562 18.816 15.680 -2.857 1.00 22.14 N ATOM 786 CZ ARG A 562 19.927 16.403 -2.962 1.00 21.95 C ATOM 787 NH1 ARG A 562 19.863 17.715 -2.869 1.00 16.86 N ATOM 788 NH2 ARG A 562 21.115 15.814 -3.121 1.00 24.49 N ATOM 789 HE ARG A 562 17.919 16.181 -2.694 1.00 0.00 H ATOM 790 HH12 ARG A 562 20.729 18.285 -2.950 1.00 0.00 H ATOM 791 HH11 ARG A 562 18.946 18.181 -2.714 1.00 0.00 H ATOM 792 HH22 ARG A 562 21.976 16.392 -3.202 1.00 0.00 H ATOM 793 HH21 ARG A 562 21.180 14.777 -3.164 1.00 0.00 H ATOM 794 H ARG A 562 14.826 13.756 -6.050 1.00 0.00 H ATOM 795 N GLY A 563 13.503 14.954 -3.331 1.00 22.43 N ATOM 796 CA GLY A 563 12.442 15.564 -2.537 1.00 25.90 C ATOM 797 C GLY A 563 11.417 14.593 -2.002 1.00 26.13 C ATOM 798 O GLY A 563 11.072 14.638 -0.813 1.00 24.33 O ATOM 799 H GLY A 563 13.707 15.346 -4.273 1.00 0.00 H ATOM 800 N THR A 564 10.936 13.720 -2.880 1.00 25.43 N ATOM 801 CA THR A 564 9.942 12.710 -2.511 1.00 27.83 C ATOM 802 C THR A 564 10.502 11.723 -1.497 1.00 27.60 C ATOM 803 O THR A 564 9.784 11.336 -0.592 1.00 27.11 O ATOM 804 CB THR A 564 9.407 11.966 -3.746 1.00 26.64 C ATOM 805 OG1 THR A 564 8.941 12.931 -4.689 1.00 24.68 O ATOM 806 CG2 THR A 564 8.267 11.011 -3.397 1.00 27.87 C ATOM 807 HG1 THR A 564 9.689 13.525 -4.949 1.00 0.00 H ATOM 808 H THR A 564 11.277 13.755 -3.862 1.00 0.00 H ATOM 809 N ALA A 565 11.766 11.319 -1.655 1.00 27.94 N ATOM 810 CA ALA A 565 12.365 10.293 -0.792 1.00 26.49 C ATOM 811 C ALA A 565 12.566 10.904 0.583 1.00 29.67 C ATOM 812 O ALA A 565 12.359 10.251 1.610 1.00 29.52 O ATOM 813 CB ALA A 565 13.701 9.771 -1.351 1.00 21.78 C ATOM 814 H ALA A 565 12.342 11.743 -2.410 1.00 0.00 H ATOM 815 N ARG A 566 12.992 12.163 0.598 1.00 28.37 N ATOM 816 CA ARG A 566 13.127 12.885 1.827 1.00 24.94 C ATOM 817 C ARG A 566 11.794 13.066 2.553 1.00 26.13 C ATOM 818 O ARG A 566 11.719 12.796 3.736 1.00 29.49 O ATOM 819 CB ARG A 566 13.791 14.219 1.578 1.00 26.80 C ATOM 820 CG ARG A 566 15.266 14.044 1.377 1.00 28.04 C ATOM 821 CD ARG A 566 15.841 15.317 0.811 1.00 28.58 C ATOM 822 NE ARG A 566 17.285 15.219 0.753 1.00 25.40 N ATOM 823 CZ ARG A 566 18.083 16.228 0.407 1.00 30.70 C ATOM 824 NH1 ARG A 566 17.590 17.435 0.054 1.00 30.22 N ATOM 825 NH2 ARG A 566 19.388 16.025 0.412 1.00 27.21 N ATOM 826 HE ARG A 566 17.724 14.308 0.996 1.00 0.00 H ATOM 827 HH12 ARG A 566 18.238 18.204 -0.211 1.00 0.00 H ATOM 828 HH11 ARG A 566 16.562 17.595 0.048 1.00 0.00 H ATOM 829 HH22 ARG A 566 20.035 16.795 0.146 1.00 0.00 H ATOM 830 HH21 ARG A 566 19.769 15.095 0.682 1.00 0.00 H ATOM 831 H ARG A 566 13.231 12.632 -0.299 1.00 0.00 H ATOM 832 N GLU A 567 10.756 13.493 1.854 1.00 20.55 N ATOM 833 CA GLU A 567 9.446 13.649 2.494 1.00 24.69 C ATOM 834 C GLU A 567 8.932 12.306 3.059 1.00 26.44 C ATOM 835 O GLU A 567 8.271 12.279 4.109 1.00 28.71 O ATOM 836 CB GLU A 567 8.457 14.230 1.522 1.00 25.47 C ATOM 837 CG GLU A 567 7.087 14.400 2.107 1.00 27.79 C ATOM 838 CD GLU A 567 6.137 15.043 1.146 1.00 34.17 C ATOM 839 OE1 GLU A 567 5.026 15.416 1.592 1.00 47.01 O ATOM 840 OE2 GLU A 567 6.481 15.188 -0.054 1.00 40.26 O ATOM 841 H GLU A 567 10.869 13.719 0.845 1.00 0.00 H ATOM 842 N SER A 568 9.252 11.217 2.354 1.00 28.28 N ATOM 843 CA SER A 568 8.955 9.855 2.802 1.00 26.71 C ATOM 844 C SER A 568 9.739 9.500 4.051 1.00 24.79 C ATOM 845 O SER A 568 9.214 8.804 4.922 1.00 24.42 O ATOM 846 CB SER A 568 9.272 8.835 1.718 1.00 25.90 C ATOM 847 OG SER A 568 8.355 8.940 0.652 1.00 32.92 O ATOM 848 HG SER A 568 8.406 9.849 0.262 1.00 0.00 H ATOM 849 H SER A 568 9.736 11.343 1.442 1.00 0.00 H ATOM 850 N LEU A 569 10.994 9.952 4.126 1.00 24.90 N ATOM 851 CA LEU A 569 11.806 9.758 5.324 1.00 28.22 C ATOM 852 C LEU A 569 11.596 10.859 6.371 1.00 30.85 C ATOM 853 O LEU A 569 12.457 11.069 7.221 1.00 31.89 O ATOM 854 CB LEU A 569 13.287 9.643 4.945 1.00 31.14 C ATOM 855 CG LEU A 569 13.670 8.389 4.171 1.00 35.74 C ATOM 856 CD1 LEU A 569 15.119 8.511 3.737 1.00 35.29 C ATOM 857 CD2 LEU A 569 13.442 7.123 4.995 1.00 38.94 C ATOM 858 H LEU A 569 11.402 10.454 3.312 1.00 0.00 H ATOM 859 N VAL A 570 10.456 11.560 6.284 1.00 38.17 N ATOM 860 CA VAL A 570 10.022 12.607 7.220 1.00 39.67 C ATOM 861 C VAL A 570 11.093 13.720 7.417 1.00 40.23 C ATOM 862 O VAL A 570 11.133 14.374 8.454 1.00 50.21 O ATOM 863 CB VAL A 570 9.447 11.940 8.530 1.00 44.66 C ATOM 864 CG1 VAL A 570 9.030 12.942 9.615 1.00 44.76 C ATOM 865 CG2 VAL A 570 8.237 11.067 8.183 1.00 43.76 C ATOM 866 H VAL A 570 9.825 11.344 5.486 1.00 0.00 H ATOM 867 N ARG A 571 11.940 13.954 6.405 1.00 32.35 N ATOM 868 CA ARG A 571 12.937 15.024 6.459 1.00 30.28 C ATOM 869 C ARG A 571 12.415 16.201 5.645 1.00 28.70 C ATOM 870 O ARG A 571 12.878 16.470 4.515 1.00 25.15 O ATOM 871 CB ARG A 571 14.307 14.511 6.019 1.00 34.68 C ATOM 872 CG ARG A 571 15.032 13.854 7.185 1.00 43.45 C ATOM 873 CD ARG A 571 15.945 12.716 6.799 1.00 48.94 C ATOM 874 NE ARG A 571 17.034 13.161 5.929 1.00 65.81 N ATOM 875 CZ ARG A 571 17.185 12.862 4.630 1.00 70.56 C ATOM 876 NH1 ARG A 571 18.247 13.350 3.982 1.00 60.35 N ATOM 877 NH2 ARG A 571 16.309 12.083 3.964 1.00 61.64 N ATOM 878 HE ARG A 571 17.761 13.768 6.359 1.00 0.00 H ATOM 879 HH12 ARG A 571 18.387 13.133 2.975 1.00 0.00 H ATOM 880 HH11 ARG A 571 18.934 13.947 4.485 1.00 0.00 H ATOM 881 HH22 ARG A 571 16.461 11.874 2.957 1.00 0.00 H ATOM 882 HH21 ARG A 571 15.482 11.691 4.458 1.00 0.00 H ATOM 883 H ARG A 571 11.887 13.357 5.555 1.00 0.00 H ATOM 884 N TYR A 572 11.421 16.870 6.231 1.00 26.39 N ATOM 885 CA TYR A 572 10.591 17.836 5.522 1.00 32.43 C ATOM 886 C TYR A 572 11.351 19.099 5.091 1.00 31.12 C ATOM 887 O TYR A 572 11.039 19.659 4.054 1.00 31.82 O ATOM 888 CB TYR A 572 9.374 18.263 6.338 1.00 32.32 C ATOM 889 CG TYR A 572 8.445 17.149 6.782 1.00 35.12 C ATOM 890 CD1 TYR A 572 7.852 16.306 5.859 1.00 33.72 C ATOM 891 CD2 TYR A 572 8.150 16.951 8.147 1.00 36.70 C ATOM 892 CE1 TYR A 572 7.010 15.289 6.266 1.00 40.37 C ATOM 893 CE2 TYR A 572 7.300 15.948 8.551 1.00 35.22 C ATOM 894 CZ TYR A 572 6.735 15.122 7.603 1.00 36.32 C ATOM 895 OH TYR A 572 5.908 14.113 7.977 1.00 34.90 O ATOM 896 HH TYR A 572 5.598 13.627 7.172 1.00 0.00 H ATOM 897 H TYR A 572 11.230 16.695 7.238 1.00 0.00 H ATOM 898 N LYS A 573 12.325 19.529 5.885 1.00 33.57 N ATOM 899 CA LYS A 573 13.107 20.747 5.601 1.00 38.94 C ATOM 900 C LYS A 573 13.929 20.498 4.346 1.00 40.19 C ATOM 901 O LYS A 573 13.902 21.297 3.410 1.00 29.14 O ATOM 902 CB LYS A 573 14.009 21.147 6.814 1.00 43.03 C ATOM 903 CG LYS A 573 15.412 21.730 6.526 1.00 49.02 C ATOM 904 CD LYS A 573 15.482 23.257 6.611 1.00 58.81 C ATOM 905 CE LYS A 573 16.643 23.862 5.814 1.00 53.69 C ATOM 906 NZ LYS A 573 16.344 24.107 4.368 1.00 48.90 N ATOM 907 HZ1 LYS A 573 16.098 23.207 3.909 1.00 0.00 H ATOM 908 HZ2 LYS A 573 15.545 24.768 4.288 1.00 0.00 H ATOM 909 HZ3 LYS A 573 17.182 24.516 3.907 1.00 0.00 H ATOM 910 H LYS A 573 12.546 18.984 6.743 1.00 0.00 H ATOM 911 N GLU A 574 14.635 19.369 4.336 1.00 33.72 N ATOM 912 CA GLU A 574 15.423 18.950 3.171 1.00 34.69 C ATOM 913 C GLU A 574 14.582 18.681 1.900 1.00 29.23 C ATOM 914 O GLU A 574 14.998 19.006 0.788 1.00 26.13 O ATOM 915 CB GLU A 574 16.255 17.729 3.542 1.00 35.01 C ATOM 916 CG GLU A 574 17.346 18.044 4.539 1.00 39.44 C ATOM 917 CD GLU A 574 17.862 16.795 5.217 1.00 46.86 C ATOM 918 OE1 GLU A 574 18.500 15.983 4.524 1.00 50.67 O ATOM 919 OE2 GLU A 574 17.621 16.633 6.435 1.00 55.34 O ATOM 920 H GLU A 574 14.628 18.764 5.182 1.00 0.00 H ATOM 921 N ALA A 575 13.394 18.109 2.078 1.00 32.16 N ATOM 922 CA ALA A 575 12.473 17.939 0.952 1.00 33.37 C ATOM 923 C ALA A 575 12.143 19.311 0.356 1.00 31.79 C ATOM 924 O ALA A 575 12.291 19.500 -0.849 1.00 27.91 O ATOM 925 CB ALA A 575 11.187 17.215 1.356 1.00 28.73 C ATOM 926 H ALA A 575 13.117 17.780 3.025 1.00 0.00 H ATOM 927 N ALA A 576 11.723 20.255 1.199 1.00 27.95 N ATOM 928 CA ALA A 576 11.308 21.572 0.701 1.00 28.07 C ATOM 929 C ALA A 576 12.429 22.226 -0.080 1.00 22.56 C ATOM 930 O ALA A 576 12.197 22.818 -1.101 1.00 25.63 O ATOM 931 CB ALA A 576 10.836 22.482 1.827 1.00 30.97 C ATOM 932 H ALA A 576 11.689 20.056 2.219 1.00 0.00 H ATOM 933 N ALA A 577 13.656 22.113 0.390 1.00 21.38 N ATOM 934 CA ALA A 577 14.757 22.670 -0.356 1.00 20.61 C ATOM 935 C ALA A 577 14.797 22.127 -1.796 1.00 23.80 C ATOM 936 O ALA A 577 14.998 22.897 -2.774 1.00 19.76 O ATOM 937 CB ALA A 577 16.048 22.403 0.366 1.00 21.57 C ATOM 938 H ALA A 577 13.828 21.626 1.292 1.00 0.00 H ATOM 939 N ASP A 578 14.600 20.808 -1.927 1.00 23.33 N ATOM 940 CA ASP A 578 14.651 20.174 -3.224 1.00 22.67 C ATOM 941 C ASP A 578 13.416 20.540 -4.042 1.00 20.79 C ATOM 942 O ASP A 578 13.545 20.852 -5.229 1.00 17.25 O ATOM 943 CB ASP A 578 14.716 18.657 -3.116 1.00 23.66 C ATOM 944 CG ASP A 578 16.040 18.136 -2.672 1.00 26.84 C ATOM 945 OD1 ASP A 578 17.105 18.793 -2.800 1.00 24.03 O ATOM 946 OD2 ASP A 578 15.990 16.974 -2.216 1.00 26.46 O ATOM 947 H ASP A 578 14.408 20.232 -1.083 1.00 0.00 H ATOM 948 N PHE A 579 12.230 20.538 -3.427 1.00 19.18 N ATOM 949 CA PHE A 579 11.054 20.905 -4.192 1.00 20.76 C ATOM 950 C PHE A 579 11.176 22.411 -4.605 1.00 20.59 C ATOM 951 O PHE A 579 10.693 22.805 -5.659 1.00 23.85 O ATOM 952 CB PHE A 579 9.736 20.576 -3.451 1.00 23.16 C ATOM 953 CG PHE A 579 9.357 19.090 -3.459 1.00 27.91 C ATOM 954 CD1 PHE A 579 9.061 18.421 -4.650 1.00 23.80 C ATOM 955 CD2 PHE A 579 9.233 18.371 -2.251 1.00 26.38 C ATOM 956 CE1 PHE A 579 8.718 17.064 -4.637 1.00 28.61 C ATOM 957 CE2 PHE A 579 8.887 17.016 -2.240 1.00 22.93 C ATOM 958 CZ PHE A 579 8.636 16.360 -3.430 1.00 23.11 C ATOM 959 H PHE A 579 12.152 20.279 -2.423 1.00 0.00 H ATOM 960 N ARG A 580 11.848 23.233 -3.790 1.00 22.07 N ATOM 961 CA ARG A 580 12.008 24.667 -4.116 1.00 19.86 C ATOM 962 C ARG A 580 12.962 24.847 -5.253 1.00 19.62 C ATOM 963 O ARG A 580 12.711 25.639 -6.162 1.00 16.78 O ATOM 964 CB ARG A 580 12.387 25.477 -2.898 1.00 20.79 C ATOM 965 CG ARG A 580 11.150 25.842 -2.051 1.00 22.31 C ATOM 966 CD ARG A 580 11.555 26.353 -0.695 1.00 23.67 C ATOM 967 NE ARG A 580 10.411 26.719 0.136 1.00 23.72 N ATOM 968 CZ ARG A 580 10.444 26.852 1.463 1.00 24.07 C ATOM 969 NH1 ARG A 580 11.563 26.665 2.154 1.00 27.74 N ATOM 970 NH2 ARG A 580 9.342 27.217 2.118 1.00 24.21 N ATOM 971 HE ARG A 580 9.503 26.889 -0.342 1.00 0.00 H ATOM 972 HH12 ARG A 580 11.560 26.775 3.188 1.00 0.00 H ATOM 973 HH11 ARG A 580 12.442 26.408 1.661 1.00 0.00 H ATOM 974 HH22 ARG A 580 9.363 27.322 3.152 1.00 0.00 H ATOM 975 HH21 ARG A 580 8.461 27.397 1.595 1.00 0.00 H ATOM 976 H ARG A 580 12.264 22.858 -2.914 1.00 0.00 H ATOM 977 N HIS A 581 14.045 24.059 -5.248 1.00 23.95 N ATOM 978 CA HIS A 581 15.000 24.139 -6.320 1.00 21.86 C ATOM 979 C HIS A 581 14.494 23.643 -7.682 1.00 22.80 C ATOM 980 O HIS A 581 14.893 24.189 -8.728 1.00 21.47 O ATOM 981 CB HIS A 581 16.306 23.428 -5.991 1.00 24.65 C ATOM 982 CG HIS A 581 17.431 23.910 -6.834 1.00 26.85 C ATOM 983 ND1 HIS A 581 17.933 25.192 -6.723 1.00 34.64 N ATOM 984 CD2 HIS A 581 18.114 23.322 -7.840 1.00 30.27 C ATOM 985 CE1 HIS A 581 18.911 25.359 -7.595 1.00 31.69 C ATOM 986 NE2 HIS A 581 19.041 24.239 -8.284 1.00 33.23 N ATOM 987 H HIS A 581 14.195 23.388 -4.468 1.00 0.00 H ATOM 988 N ALA A 582 13.644 22.622 -7.675 1.00 20.20 N ATOM 989 CA ALA A 582 13.019 22.165 -8.899 1.00 21.24 C ATOM 990 C ALA A 582 12.240 23.289 -9.553 1.00 19.31 C ATOM 991 O ALA A 582 12.167 23.347 -10.790 1.00 16.96 O ATOM 992 CB ALA A 582 12.075 21.015 -8.621 1.00 23.63 C ATOM 993 H ALA A 582 13.424 22.144 -6.778 1.00 0.00 H ATOM 994 N LEU A 583 11.599 24.130 -8.723 1.00 23.49 N ATOM 995 CA LEU A 583 10.803 25.279 -9.210 1.00 22.51 C ATOM 996 C LEU A 583 11.666 26.428 -9.703 1.00 20.96 C ATOM 997 O LEU A 583 11.233 27.220 -10.551 1.00 19.10 O ATOM 998 CB LEU A 583 9.803 25.754 -8.157 1.00 25.49 C ATOM 999 CG LEU A 583 8.622 24.819 -7.905 1.00 26.55 C ATOM 1000 CD1 LEU A 583 7.924 25.133 -6.602 1.00 29.18 C ATOM 1001 CD2 LEU A 583 7.596 24.792 -9.034 1.00 25.57 C ATOM 1002 H LEU A 583 11.665 23.967 -7.698 1.00 0.00 H ATOM 1003 N VAL A 584 12.880 26.514 -9.182 1.00 20.82 N ATOM 1004 CA VAL A 584 13.911 27.409 -9.718 1.00 21.43 C ATOM 1005 C VAL A 584 14.255 27.018 -11.143 1.00 22.94 C ATOM 1006 O VAL A 584 14.332 27.884 -11.996 1.00 22.99 O ATOM 1007 CB VAL A 584 15.191 27.473 -8.805 1.00 21.78 C ATOM 1008 CG1 VAL A 584 16.383 28.154 -9.472 1.00 21.24 C ATOM 1009 CG2 VAL A 584 14.852 28.177 -7.524 1.00 23.58 C ATOM 1010 H VAL A 584 13.112 25.923 -8.359 1.00 0.00 H ATOM 1011 N LEU A 585 14.456 25.715 -11.381 1.00 24.38 N ATOM 1012 CA LEU A 585 14.753 25.165 -12.717 1.00 24.25 C ATOM 1013 C LEU A 585 13.491 25.100 -13.626 1.00 23.63 C ATOM 1014 O LEU A 585 13.574 25.305 -14.824 1.00 19.62 O ATOM 1015 CB LEU A 585 15.368 23.761 -12.607 1.00 21.89 C ATOM 1016 CG LEU A 585 16.625 23.670 -11.729 1.00 23.13 C ATOM 1017 CD1 LEU A 585 17.014 22.230 -11.444 1.00 22.76 C ATOM 1018 CD2 LEU A 585 17.777 24.423 -12.370 1.00 26.12 C ATOM 1019 H LEU A 585 14.399 25.055 -10.579 1.00 0.00 H ATOM 1020 N GLU A 586 12.335 24.790 -13.064 1.00 17.71 N ATOM 1021 CA GLU A 586 11.150 24.599 -13.884 1.00 22.03 C ATOM 1022 C GLU A 586 9.983 25.245 -13.178 1.00 21.08 C ATOM 1023 O GLU A 586 9.277 24.591 -12.421 1.00 24.71 O ATOM 1024 CB GLU A 586 10.912 23.101 -14.149 1.00 24.45 C ATOM 1025 CG GLU A 586 9.798 22.774 -15.135 1.00 23.71 C ATOM 1026 CD GLU A 586 9.663 21.270 -15.383 1.00 26.36 C ATOM 1027 OE1 GLU A 586 8.569 20.715 -15.137 1.00 24.65 O ATOM 1028 OE2 GLU A 586 10.636 20.636 -15.839 1.00 27.50 O ATOM 1029 H GLU A 586 12.273 24.682 -12.031 1.00 0.00 H ATOM 1030 N PRO A 587 9.807 26.576 -13.392 1.00 29.01 N ATOM 1031 CA PRO A 587 8.816 27.341 -12.648 1.00 22.46 C ATOM 1032 C PRO A 587 7.423 26.767 -12.633 1.00 21.67 C ATOM 1033 O PRO A 587 6.725 26.940 -11.647 1.00 22.36 O ATOM 1034 CB PRO A 587 8.830 28.690 -13.366 1.00 25.20 C ATOM 1035 CG PRO A 587 10.233 28.855 -13.765 1.00 28.78 C ATOM 1036 CD PRO A 587 10.679 27.475 -14.184 1.00 27.20 C ATOM 1037 N GLN A 588 6.994 26.119 -13.716 1.00 24.20 N ATOM 1038 CA GLN A 588 5.597 25.692 -13.831 1.00 29.79 C ATOM 1039 C GLN A 588 5.354 24.306 -13.222 1.00 31.17 C ATOM 1040 O GLN A 588 4.234 23.793 -13.314 1.00 28.67 O ATOM 1041 CB GLN A 588 5.154 25.695 -15.308 1.00 35.81 C ATOM 1042 CG GLN A 588 5.295 27.038 -16.003 1.00 45.31 C ATOM 1043 CD GLN A 588 4.213 28.011 -15.594 1.00 59.62 C ATOM 1044 OE1 GLN A 588 4.489 29.016 -14.938 1.00 67.97 O ATOM 1045 NE2 GLN A 588 2.965 27.705 -15.954 1.00 62.93 N ATOM 1046 HE22 GLN A 588 2.780 26.845 -16.508 1.00 0.00 H ATOM 1047 HE21 GLN A 588 2.178 28.327 -15.680 1.00 0.00 H ATOM 1048 H GLN A 588 7.659 25.914 -14.489 1.00 0.00 H ATOM 1049 N ASN A 589 6.371 23.708 -12.593 1.00 25.35 N ATOM 1050 CA ASN A 589 6.319 22.294 -12.280 1.00 23.00 C ATOM 1051 C ASN A 589 5.222 22.023 -11.295 1.00 25.24 C ATOM 1052 O ASN A 589 5.241 22.520 -10.175 1.00 26.03 O ATOM 1053 CB ASN A 589 7.648 21.803 -11.724 1.00 25.05 C ATOM 1054 CG ASN A 589 7.663 20.310 -11.550 1.00 26.58 C ATOM 1055 OD1 ASN A 589 7.306 19.792 -10.493 1.00 28.88 O ATOM 1056 ND2 ASN A 589 8.040 19.609 -12.589 1.00 21.88 N ATOM 1057 HD22 ASN A 589 8.334 20.091 -13.463 1.00 0.00 H ATOM 1058 HD21 ASN A 589 8.046 18.570 -12.541 1.00 0.00 H ATOM 1059 H ASN A 589 7.208 24.264 -12.325 1.00 0.00 H ATOM 1060 N LYS A 590 4.254 21.221 -11.706 1.00 25.32 N ATOM 1061 CA LYS A 590 3.068 21.011 -10.897 1.00 36.13 C ATOM 1062 C LYS A 590 3.381 20.177 -9.648 1.00 33.00 C ATOM 1063 O LYS A 590 2.766 20.391 -8.614 1.00 35.22 O ATOM 1064 CB LYS A 590 1.931 20.391 -11.723 1.00 43.71 C ATOM 1065 CG LYS A 590 0.637 21.216 -11.745 1.00 64.17 C ATOM 1066 CD LYS A 590 -0.137 21.194 -10.415 1.00 75.59 C ATOM 1067 CE LYS A 590 -0.147 22.548 -9.704 1.00 78.92 C ATOM 1068 NZ LYS A 590 -0.539 22.429 -8.267 1.00 80.29 N ATOM 1069 HZ1 LYS A 590 -1.494 22.023 -8.202 1.00 0.00 H ATOM 1070 HZ2 LYS A 590 0.137 21.810 -7.775 1.00 0.00 H ATOM 1071 HZ3 LYS A 590 -0.531 23.372 -7.828 1.00 0.00 H ATOM 1072 H LYS A 590 4.344 20.735 -12.621 1.00 0.00 H ATOM 1073 N THR A 591 4.369 19.282 -9.723 1.00 25.24 N ATOM 1074 CA THR A 591 4.602 18.331 -8.667 1.00 23.84 C ATOM 1075 C THR A 591 5.251 18.980 -7.531 1.00 25.04 C ATOM 1076 O THR A 591 4.920 18.678 -6.391 1.00 30.62 O ATOM 1077 CB THR A 591 5.475 17.169 -9.144 1.00 27.87 C ATOM 1078 OG1 THR A 591 4.634 16.305 -9.909 1.00 32.02 O ATOM 1079 CG2 THR A 591 6.130 16.357 -7.989 1.00 26.12 C ATOM 1080 HG1 THR A 591 3.894 15.977 -9.339 1.00 0.00 H ATOM 1081 H THR A 591 4.983 19.271 -10.562 1.00 0.00 H ATOM 1082 N ALA A 592 6.227 19.836 -7.822 1.00 26.28 N ATOM 1083 CA ALA A 592 6.845 20.666 -6.791 1.00 22.48 C ATOM 1084 C ALA A 592 5.852 21.622 -6.087 1.00 23.73 C ATOM 1085 O ALA A 592 5.932 21.783 -4.888 1.00 28.75 O ATOM 1086 CB ALA A 592 8.013 21.435 -7.385 1.00 24.67 C ATOM 1087 H ALA A 592 6.557 19.916 -8.805 1.00 0.00 H ATOM 1088 N LYS A 593 4.942 22.253 -6.820 1.00 24.62 N ATOM 1089 CA LYS A 593 3.942 23.166 -6.201 1.00 29.14 C ATOM 1090 C LYS A 593 2.954 22.454 -5.277 1.00 27.00 C ATOM 1091 O LYS A 593 2.676 22.949 -4.199 1.00 34.63 O ATOM 1092 CB LYS A 593 3.188 23.970 -7.260 1.00 30.77 C ATOM 1093 CG LYS A 593 4.086 24.988 -7.926 1.00 36.91 C ATOM 1094 CD LYS A 593 3.349 26.013 -8.783 1.00 44.76 C ATOM 1095 CE LYS A 593 3.372 25.668 -10.261 1.00 52.72 C ATOM 1096 NZ LYS A 593 3.136 26.892 -11.074 1.00 62.44 N ATOM 1097 HZ1 LYS A 593 2.209 27.295 -10.831 1.00 0.00 H ATOM 1098 HZ2 LYS A 593 3.881 27.589 -10.873 1.00 0.00 H ATOM 1099 HZ3 LYS A 593 3.154 26.645 -12.084 1.00 0.00 H ATOM 1100 H LYS A 593 4.928 22.106 -7.849 1.00 0.00 H ATOM 1101 N VAL A 594 2.442 21.293 -5.692 1.00 27.46 N ATOM 1102 CA VAL A 594 1.588 20.456 -4.835 1.00 26.69 C ATOM 1103 C VAL A 594 2.377 20.084 -3.590 1.00 26.91 C ATOM 1104 O VAL A 594 1.868 20.235 -2.482 1.00 26.20 O ATOM 1105 CB VAL A 594 1.048 19.180 -5.579 1.00 32.61 C ATOM 1106 CG1 VAL A 594 0.407 18.166 -4.629 1.00 29.86 C ATOM 1107 CG2 VAL A 594 0.045 19.556 -6.656 1.00 28.40 C ATOM 1108 H VAL A 594 2.655 20.968 -6.657 1.00 0.00 H ATOM 1109 N ALA A 595 3.632 19.654 -3.767 1.00 28.90 N ATOM 1110 CA ALA A 595 4.472 19.252 -2.634 1.00 30.77 C ATOM 1111 C ALA A 595 4.747 20.381 -1.636 1.00 28.30 C ATOM 1112 O ALA A 595 4.773 20.130 -0.448 1.00 22.79 O ATOM 1113 CB ALA A 595 5.811 18.697 -3.111 1.00 37.28 C ATOM 1114 H ALA A 595 4.021 19.604 -4.730 1.00 0.00 H ATOM 1115 N GLU A 596 5.010 21.590 -2.134 1.00 24.28 N ATOM 1116 CA GLU A 596 5.273 22.751 -1.274 1.00 24.32 C ATOM 1117 C GLU A 596 4.095 23.024 -0.339 1.00 23.16 C ATOM 1118 O GLU A 596 4.281 23.185 0.863 1.00 28.81 O ATOM 1119 CB GLU A 596 5.549 24.001 -2.115 1.00 25.06 C ATOM 1120 CG GLU A 596 6.967 24.112 -2.669 1.00 28.26 C ATOM 1121 CD GLU A 596 7.215 25.477 -3.296 1.00 35.62 C ATOM 1122 OE1 GLU A 596 6.245 26.091 -3.828 1.00 28.58 O ATOM 1123 OE2 GLU A 596 8.383 25.938 -3.234 1.00 32.43 O ATOM 1124 H GLU A 596 5.029 21.715 -3.166 1.00 0.00 H ATOM 1125 N LYS A 597 2.897 23.027 -0.908 1.00 25.55 N ATOM 1126 CA LYS A 597 1.617 23.211 -0.167 1.00 30.64 C ATOM 1127 C LYS A 597 1.380 22.150 0.937 1.00 30.85 C ATOM 1128 O LYS A 597 1.020 22.479 2.060 1.00 30.79 O ATOM 1129 CB LYS A 597 0.491 23.165 -1.187 1.00 32.01 C ATOM 1130 CG LYS A 597 -0.911 23.464 -0.704 1.00 33.30 C ATOM 1131 CD LYS A 597 -1.734 23.851 -1.921 1.00 35.14 C ATOM 1132 CE LYS A 597 -3.168 23.382 -1.853 1.00 38.88 C ATOM 1133 NZ LYS A 597 -4.006 24.315 -1.068 1.00 36.36 N ATOM 1134 HZ1 LYS A 597 -3.634 24.382 -0.099 1.00 0.00 H ATOM 1135 HZ2 LYS A 597 -3.987 25.255 -1.513 1.00 0.00 H ATOM 1136 HZ3 LYS A 597 -4.984 23.962 -1.042 1.00 0.00 H ATOM 1137 H LYS A 597 2.848 22.892 -1.938 1.00 0.00 H ATOM 1138 N ARG A 598 1.607 20.887 0.608 1.00 33.16 N ATOM 1139 CA ARG A 598 1.526 19.793 1.575 1.00 31.59 C ATOM 1140 C ARG A 598 2.620 19.923 2.647 1.00 36.10 C ATOM 1141 O ARG A 598 2.370 19.741 3.852 1.00 35.84 O ATOM 1142 CB ARG A 598 1.589 18.461 0.822 1.00 31.00 C ATOM 1143 CG ARG A 598 1.478 17.206 1.646 1.00 33.48 C ATOM 1144 CD ARG A 598 1.525 15.947 0.773 1.00 36.87 C ATOM 1145 NE ARG A 598 2.818 15.840 0.090 1.00 38.58 N ATOM 1146 CZ ARG A 598 3.027 16.014 -1.220 1.00 38.31 C ATOM 1147 NH1 ARG A 598 2.021 16.259 -2.068 1.00 41.18 N ATOM 1148 NH2 ARG A 598 4.267 15.948 -1.692 1.00 28.89 N ATOM 1149 HE ARG A 598 3.646 15.608 0.676 1.00 0.00 H ATOM 1150 HH12 ARG A 598 2.215 16.390 -3.081 1.00 0.00 H ATOM 1151 HH11 ARG A 598 1.045 16.319 -1.714 1.00 0.00 H ATOM 1152 HH22 ARG A 598 4.444 16.081 -2.708 1.00 0.00 H ATOM 1153 HH21 ARG A 598 5.060 15.763 -1.045 1.00 0.00 H ATOM 1154 H ARG A 598 1.853 20.665 -0.378 1.00 0.00 H ATOM 1155 N LEU A 599 3.832 20.260 2.231 1.00 35.49 N ATOM 1156 CA LEU A 599 4.933 20.400 3.202 1.00 36.18 C ATOM 1157 C LEU A 599 4.791 21.611 4.149 1.00 44.50 C ATOM 1158 O LEU A 599 5.303 21.572 5.270 1.00 32.48 O ATOM 1159 CB LEU A 599 6.275 20.492 2.483 1.00 33.64 C ATOM 1160 CG LEU A 599 6.778 19.200 1.872 1.00 34.61 C ATOM 1161 CD1 LEU A 599 8.006 19.511 1.031 1.00 27.88 C ATOM 1162 CD2 LEU A 599 7.076 18.190 2.970 1.00 36.43 C ATOM 1163 H LEU A 599 4.007 20.426 1.219 1.00 0.00 H ATOM 1164 N ARG A 600 4.138 22.684 3.684 1.00 49.99 N ATOM 1165 CA ARG A 600 3.892 23.909 4.496 1.00 52.45 C ATOM 1166 C ARG A 600 3.416 23.624 5.936 1.00 52.21 C ATOM 1167 O ARG A 600 4.004 24.124 6.895 1.00 47.10 O ATOM 1168 CB ARG A 600 2.880 24.827 3.796 1.00 48.60 C ATOM 1169 CG ARG A 600 3.452 26.115 3.269 1.00 52.08 C ATOM 1170 CD ARG A 600 2.342 27.112 2.970 1.00 61.41 C ATOM 1171 NE ARG A 600 2.602 28.410 3.602 1.00 80.91 N ATOM 1172 CZ ARG A 600 2.464 28.687 4.905 1.00 92.96 C ATOM 1173 NH1 ARG A 600 2.046 27.763 5.771 1.00110.55 N ATOM 1174 NH2 ARG A 600 2.741 29.913 5.355 1.00 98.97 N ATOM 1175 HE ARG A 600 2.922 29.183 2.984 1.00 0.00 H ATOM 1176 HH12 ARG A 600 1.947 28.002 6.778 1.00 0.00 H ATOM 1177 HH11 ARG A 600 1.820 26.804 5.439 1.00 0.00 H ATOM 1178 HH22 ARG A 600 2.635 30.132 6.366 1.00 0.00 H ATOM 1179 HH21 ARG A 600 3.063 30.649 4.694 1.00 0.00 H ATOM 1180 H ARG A 600 3.785 22.661 2.706 1.00 0.00 H ATOM 1181 N LYS A 601 2.387 22.783 6.056 1.00 46.94 N ATOM 1182 CA LYS A 601 1.834 22.337 7.355 1.00 61.10 C ATOM 1183 C LYS A 601 2.691 21.338 8.178 1.00 65.89 C ATOM 1184 O LYS A 601 2.222 20.838 9.204 1.00 53.75 O ATOM 1185 CB LYS A 601 0.406 21.781 7.151 1.00 68.12 C ATOM 1186 CG LYS A 601 -0.633 22.883 6.924 1.00 74.10 C ATOM 1187 CD LYS A 601 -1.805 22.436 6.062 1.00 72.55 C ATOM 1188 CE LYS A 601 -1.476 22.517 4.579 1.00 71.22 C ATOM 1189 NZ LYS A 601 -2.492 21.806 3.764 1.00 64.63 N ATOM 1190 HZ1 LYS A 601 -2.520 20.805 4.044 1.00 0.00 H ATOM 1191 HZ2 LYS A 601 -3.425 22.238 3.921 1.00 0.00 H ATOM 1192 HZ3 LYS A 601 -2.240 21.879 2.758 1.00 0.00 H ATOM 1193 H LYS A 601 1.948 22.420 5.186 1.00 0.00 H ATOM 1194 N HIS A 602 3.911 21.024 7.719 1.00 65.16 N ATOM 1195 CA HIS A 602 4.927 20.319 8.523 1.00 57.48 C ATOM 1196 C HIS A 602 6.217 21.110 8.742 1.00 58.18 C ATOM 1197 O HIS A 602 7.073 20.649 9.504 1.00 50.75 O ATOM 1198 CB HIS A 602 5.343 19.016 7.851 1.00 55.00 C ATOM 1199 CG HIS A 602 4.217 18.085 7.547 1.00 59.98 C ATOM 1200 ND1 HIS A 602 3.602 17.325 8.515 1.00 70.03 N ATOM 1201 CD2 HIS A 602 3.641 17.739 6.371 1.00 54.52 C ATOM 1202 CE1 HIS A 602 2.672 16.574 7.952 1.00 74.68 C ATOM 1203 NE2 HIS A 602 2.679 16.804 6.651 1.00 62.16 N ATOM 1204 H HIS A 602 4.154 21.292 6.744 1.00 0.00 H ATOM 1205 N ILE A 603 6.388 22.240 8.037 1.00 58.40 N ATOM 1206 CA ILE A 603 7.575 23.104 8.164 1.00 59.83 C ATOM 1207 C ILE A 603 7.180 24.526 8.569 1.00 60.81 C ATOM 1208 O ILE A 603 8.014 25.436 8.512 1.00 59.77 O ATOM 1209 CB ILE A 603 8.438 23.159 6.866 1.00 56.56 C ATOM 1210 CG1 ILE A 603 7.715 23.886 5.707 1.00 58.12 C ATOM 1211 CG2 ILE A 603 8.888 21.761 6.461 1.00 50.10 C ATOM 1212 CD1 ILE A 603 8.601 24.188 4.509 1.00 59.65 C ATOM 1213 OXT ILE A 603 6.039 24.805 8.953 1.00 62.83 O ATOM 1214 H ILE A 603 5.644 22.520 7.366 1.00 0.00 H TER 1215 ILE A 603 HETATM 1216 O HOH 1 17.930 20.782 -3.786 1.00 30.04 O HETATM 1217 O HOH 2 2.949 2.055 -17.508 1.00 33.26 O HETATM 1218 O HOH 3 13.874 23.935 4.103 1.00 22.46 O HETATM 1219 O HOH 4 15.441 8.811 -24.248 1.00 38.75 O HETATM 1220 O HOH 5 4.421 13.125 6.175 1.00 35.83 O HETATM 1221 O HOH 6 16.547 13.294 -18.513 1.00 23.57 O HETATM 1222 O HOH 7 23.158 -0.872 -33.953 1.00 29.44 O HETATM 1223 O HOH 8 13.686 9.175 8.434 1.00 49.28 O HETATM 1224 O HOH 9 25.122 9.802 -4.388 1.00 27.96 O HETATM 1225 O HOH 10 4.395 28.892 -12.345 1.00 34.63 O HETATM 1226 O HOH 11 11.798 -2.021 0.204 1.00 26.83 O HETATM 1227 O HOH 12 14.041 10.602 -15.406 1.00 16.14 O HETATM 1228 O HOH 13 0.412 3.297 -13.913 1.00 31.05 O HETATM 1229 O HOH 14 24.343 5.800 -6.643 1.00 26.31 O HETATM 1230 O HOH 15 29.620 17.539 -10.172 1.00 28.95 O HETATM 1231 O HOH 16 5.180 27.564 -5.758 1.00 28.65 O HETATM 1232 O HOH 17 16.491 22.161 -16.164 1.00 31.42 O HETATM 1233 O HOH 18 19.887 15.408 -17.288 1.00 21.39 O HETATM 1234 O HOH 19 25.272 7.167 -16.068 1.00 17.13 O HETATM 1235 O HOH 20 5.148 2.843 -14.416 1.00 30.44 O HETATM 1236 O HOH 21 11.681 1.721 -23.714 1.00 32.77 O HETATM 1237 O HOH 22 5.708 13.350 10.555 1.00 48.95 O HETATM 1238 O HOH 23 -0.703 19.544 -2.009 1.00 34.16 O HETATM 1239 O HOH 24 3.998 14.911 4.086 1.00 40.03 O HETATM 1240 O HOH 25 21.230 13.017 -18.824 1.00 33.65 O HETATM 1241 O HOH 26 14.164 5.098 -26.855 1.00 39.53 O HETATM 1242 O HOH 27 21.676 4.110 -5.392 1.00 38.48 O HETATM 1243 O HOH 28 8.848 6.335 -9.094 1.00 19.46 O HETATM 1244 O HOH 29 12.854 30.197 -11.663 1.00 32.07 O HETATM 1245 O HOH 30 4.027 32.082 6.493 1.00 55.68 O HETATM 1246 O HOH 31 6.962 11.171 -0.216 1.00 37.96 O HETATM 1247 O HOH 32 8.122 13.914 -17.975 1.00 28.27 O HETATM 1248 O HOH 33 16.874 26.792 -4.717 1.00 26.27 O HETATM 1249 O HOH 34 16.869 24.954 -2.646 1.00 26.82 O HETATM 1250 O HOH 35 18.113 14.463 8.166 1.00 54.85 O HETATM 1251 O HOH 36 22.749 11.533 -1.225 1.00 48.16 O HETATM 1252 O HOH 37 4.574 -4.585 -9.907 1.00 29.89 O HETATM 1253 O HOH 38 25.061 -4.351 -13.923 1.00 23.00 O HETATM 1254 O HOH 39 9.874 -5.763 -9.150 1.00 37.40 O HETATM 1255 O HOH 40 12.333 -4.600 -20.648 1.00 23.66 O HETATM 1256 O HOH 41 23.717 13.411 -18.419 1.00 28.02 O HETATM 1257 O HOH 42 25.716 10.110 -21.376 1.00 26.96 O HETATM 1258 O HOH 43 10.979 -6.734 -11.674 1.00 21.98 O HETATM 1259 O HOH 44 6.404 22.546 -15.641 1.00 36.32 O HETATM 1260 O HOH 45 28.778 2.459 -28.878 1.00 23.47 O HETATM 1261 O HOH 46 22.704 20.112 -6.733 1.00 37.34 O HETATM 1262 O HOH 47 6.364 -1.974 -21.040 1.00 31.05 O HETATM 1263 O HOH 48 26.470 0.198 -12.181 1.00 25.27 O HETATM 1264 O HOH 49 -0.384 28.139 4.205 1.00 47.69 O HETATM 1265 O HOH 50 11.948 25.848 4.933 1.00 38.68 O HETATM 1266 O HOH 51 9.508 26.932 5.031 1.00 39.98 O HETATM 1267 O HOH 52 20.035 2.008 1.776 1.00 54.23 O HETATM 1268 O HOH 53 1.863 16.084 -8.913 1.00 54.05 O HETATM 1269 O HOH 54 26.533 19.331 -12.446 1.00 42.17 O HETATM 1270 O HOH 55 27.124 3.295 -9.894 1.00 38.36 O HETATM 1271 O HOH 56 30.688 6.177 -20.901 1.00 53.23 O HETATM 1272 O HOH 57 25.529 1.002 -9.921 1.00 29.27 O HETATM 1273 O HOH 58 19.357 19.823 0.092 1.00 32.19 O HETATM 1274 O HOH 59 14.677 15.625 -15.443 1.00 27.37 O HETATM 1275 O HOH 60 4.234 16.215 -4.860 1.00 26.74 O HETATM 1276 O HOH 61 12.833 21.615 -17.606 1.00 32.76 O HETATM 1277 O HOH 62 14.614 6.428 -24.814 1.00 29.87 O HETATM 1278 O HOH 63 15.715 12.882 -15.763 1.00 20.18 O HETATM 1279 O HOH 64 15.774 17.810 -16.465 1.00 25.27 O HETATM 1280 O HOH 65 22.187 -5.504 -10.957 1.00 29.41 O HETATM 1281 O HOH 66 22.307 1.293 -5.127 1.00 38.75 O HETATM 1282 O HOH 67 8.587 25.931 -16.295 1.00 27.40 O HETATM 1283 O HOH 68 5.791 6.027 -21.816 1.00 47.02 O HETATM 1284 O HOH 69 14.692 17.698 6.906 1.00 51.25 O HETATM 1285 O HOH 70 5.299 4.879 -12.246 1.00 43.87 O HETATM 1286 O HOH 71 4.257 20.313 -14.644 1.00 24.42 O HETATM 1287 O HOH 72 6.036 14.123 -4.562 1.00 25.36 O HETATM 1288 O HOH 73 24.497 5.663 -27.391 1.00 43.46 O HETATM 1289 O HOH 74 12.344 4.674 -23.696 1.00 31.22 O HETATM 1290 O HOH 75 26.093 20.380 -14.425 1.00 32.53 O HETATM 1291 O HOH 76 2.271 26.274 -0.984 1.00 39.29 O HETATM 1292 O HOH 77 27.997 -6.814 -15.892 1.00 11.20 O HETATM 1293 O HOH 78 31.563 2.529 -27.185 1.00 30.23 O HETATM 1294 O HOH 79 9.581 -13.302 -15.484 1.00 43.35 O HETATM 1295 O HOH 80 33.173 0.697 -26.197 1.00 41.52 O HETATM 1296 O HOH 81 2.359 5.374 -14.230 1.00 43.15 O HETATM 1297 O HOH 82 25.918 3.821 -7.407 1.00 45.44 O HETATM 1298 O HOH 83 19.267 21.604 -2.559 1.00 27.06 O HETATM 1299 O HOH 84 17.729 15.680 -18.519 1.00 35.40 O HETATM 1300 O HOH 85 15.677 -7.937 -4.732 1.00 41.18 O HETATM 1301 O HOH 86 16.833 27.813 -14.766 1.00 41.55 O HETATM 1302 O HOH 87 1.630 14.669 3.763 1.00 42.25 O HETATM 1303 O HOH 88 29.714 10.158 -6.360 1.00 39.41 O HETATM 1304 O HOH 89 32.483 2.964 -24.233 1.00 37.89 O HETATM 1305 O HOH 90 12.788 28.132 -17.387 1.00 37.68 O HETATM 1306 O HOH 91 -0.668 1.726 -11.946 1.00 39.51 O HETATM 1307 O HOH 92 27.074 11.416 -5.253 1.00 34.47 O HETATM 1308 O HOH 93 1.810 13.145 7.918 1.00 46.13 O HETATM 1309 O HOH 94 4.801 10.186 2.043 1.00 47.84 O HETATM 1310 O HOH 95 14.359 -7.213 -23.598 1.00 42.64 O HETATM 1311 O HOH 96 26.756 6.723 -6.294 1.00 38.09 O HETATM 1312 O HOH 97 17.390 24.910 -16.186 1.00 35.90 O HETATM 1313 O HOH 98 29.975 13.335 -16.304 1.00 36.20 O HETATM 1314 O HOH 99 -1.734 17.614 3.175 1.00 42.15 O HETATM 1315 O HOH 100 -4.581 27.804 1.384 1.00 34.28 O HETATM 1316 O HOH 101 28.123 4.144 -30.708 1.00 27.62 O HETATM 1317 O HOH 102 33.592 4.355 -20.173 1.00 45.02 O HETATM 1318 O HOH 103 26.891 13.105 -22.513 1.00 40.96 O HETATM 1319 O HOH 104 25.371 22.877 -15.567 1.00 44.20 O HETATM 1320 O HOH 105 -7.719 25.411 -3.634 1.00 32.37 O HETATM 1321 O HOH 106 -7.941 22.824 -3.067 1.00 33.17 O HETATM 1322 O HOH 107 17.665 21.923 -19.229 1.00 36.62 O HETATM 1323 O HOH 108 9.602 9.201 -9.838 1.00 23.68 O HETATM 1324 O HOH 109 5.541 16.126 -20.254 1.00 32.32 O HETATM 1325 O HOH 110 1.167 9.871 -13.245 1.00 38.85 O HETATM 1326 O HOH 111 12.516 16.231 -17.191 1.00 39.33 O HETATM 1327 O HOH 112 7.804 19.829 -21.794 1.00 45.36 O HETATM 1328 O HOH 113 0.828 6.269 -12.922 1.00 55.67 O HETATM 1329 O HOH 114 3.985 12.707 -12.998 1.00 41.78 O HETATM 1330 O HOH 115 7.704 6.070 -18.065 1.00 24.35 O HETATM 1331 O HOH 116 5.588 5.367 -16.343 1.00 31.99 O HETATM 1332 O HOH 117 1.380 13.495 -18.823 1.00 39.21 O HETATM 1333 O HOH 118 7.274 23.656 -17.951 1.00 39.78 O HETATM 1334 O HOH 119 1.858 11.856 -14.750 1.00 49.30 O HETATM 1335 N GLY A 120 6.380 20.013 -19.177 1.00 0.24 N HETATM 1336 CA GLY A 120 6.432 19.680 -17.720 1.00 0.05 C HETATM 1337 C GLY A 120 7.037 18.320 -17.382 1.00 0.22 C HETATM 1338 O GLY A 120 6.591 17.291 -17.870 1.00 -0.39 O HETATM 1339 N GLY A 120 8.055 18.326 -16.532 1.00 -0.26 N HETATM 1340 CA GLY A 120 8.645 17.114 -15.953 1.00 0.15 C HETATM 1341 C GLY A 120 7.628 16.364 -15.117 1.00 0.21 C HETATM 1342 O GLY A 120 7.224 16.847 -14.077 1.00 -0.39 O HETATM 1343 N GLY A 120 7.219 15.200 -15.584 1.00 -0.26 N HETATM 1344 CA GLY A 120 6.273 14.365 -14.902 1.00 0.13 C HETATM 1345 C GLY A 120 7.107 13.331 -14.193 1.00 0.20 C HETATM 1346 O GLY A 120 7.830 12.539 -14.810 1.00 -0.39 O HETATM 1347 N GLY A 120 7.018 13.368 -12.878 1.00 -0.26 N HETATM 1348 CA GLY A 120 7.912 12.642 -12.031 1.00 0.13 C HETATM 1349 C GLY A 120 7.614 11.149 -12.100 1.00 0.20 C HETATM 1350 O GLY A 120 8.505 10.346 -11.849 1.00 -0.39 O HETATM 1351 N GLY A 120 6.375 10.789 -12.453 1.00 -0.26 N HETATM 1352 CA GLY A 120 6.008 9.383 -12.604 1.00 0.13 C HETATM 1353 C GLY A 120 6.523 8.725 -13.904 1.00 0.20 C HETATM 1354 O GLY A 120 6.488 7.517 -14.022 1.00 -0.39 O HETATM 1355 N GLY A 120 7.052 9.527 -14.836 1.00 -0.26 N HETATM 1356 CA GLY A 120 7.577 9.050 -16.106 1.00 0.13 C HETATM 1357 C GLY A 120 9.112 9.025 -16.082 1.00 0.20 C HETATM 1358 O GLY A 120 9.734 10.008 -15.656 1.00 -0.39 O HETATM 1359 N GLY A 120 9.698 7.901 -16.502 1.00 -0.26 N HETATM 1360 CA GLY A 120 11.159 7.794 -16.742 1.00 0.13 C HETATM 1361 C GLY A 120 11.497 8.337 -18.143 1.00 0.20 C HETATM 1362 O GLY A 120 10.625 8.472 -18.959 1.00 -0.39 O HETATM 1363 N GLY A 120 12.759 8.657 -18.407 1.00 -0.27 N HETATM 1364 CA GLY A 120 13.154 9.385 -19.603 1.00 0.11 C HETATM 1365 C GLY A 120 14.184 8.593 -20.392 1.00 0.06 C HETATM 1366 O GLY A 120 14.469 8.960 -21.546 1.00 -0.57 O HETATM 1367 OXT GLY A 120 14.711 7.591 -19.906 1.00 -0.57 O HETATM 1368 CB GLY A 120 13.782 10.717 -19.209 1.00 0.04 C HETATM 1369 CG GLY A 120 12.769 11.689 -18.679 1.00 0.04 C HETATM 1370 OD1 GLY A 120 12.143 12.392 -19.494 1.00 -0.57 O HETATM 1371 OD2 GLY A 120 12.603 11.733 -17.458 1.00 -0.57 O HETATM 1372 H56 GLY A 120 14.264 11.156 -20.095 1.00 0.05 H HETATM 1373 H57 GLY A 120 14.539 10.535 -18.431 1.00 0.05 H HETATM 1374 H55 GLY A 120 12.267 9.563 -20.229 1.00 0.07 H HETATM 1375 H54 GLY A 120 13.468 8.386 -17.756 1.00 0.19 H HETATM 1376 CB GLY A 120 11.665 6.358 -16.554 1.00 -0.01 C HETATM 1377 CG1 GLY A 120 11.602 5.980 -15.064 1.00 -0.06 C HETATM 1378 H48 GLY A 120 11.965 4.950 -14.931 1.00 0.02 H HETATM 1379 H49 GLY A 120 10.562 6.050 -14.711 1.00 0.02 H HETATM 1380 H50 GLY A 120 12.233 6.669 -14.484 1.00 0.02 H HETATM 1381 CG2 GLY A 120 10.854 5.349 -17.362 1.00 -0.06 C HETATM 1382 H51 GLY A 120 10.896 5.615 -18.428 1.00 0.02 H HETATM 1383 H52 GLY A 120 9.808 5.362 -17.022 1.00 0.02 H HETATM 1384 H53 GLY A 120 11.273 4.342 -17.218 1.00 0.02 H HETATM 1385 H47 GLY A 120 12.711 6.312 -16.890 1.00 0.03 H HETATM 1386 H46 GLY A 120 11.671 8.425 -16.001 1.00 0.08 H HETATM 1387 H45 GLY A 120 9.127 7.096 -16.662 1.00 0.19 H HETATM 1388 CB GLY A 120 7.048 9.947 -17.225 1.00 -0.00 C HETATM 1389 CG GLY A 120 5.527 9.846 -17.355 1.00 0.00 C HETATM 1390 CD GLY A 120 4.868 10.863 -18.301 1.00 0.04 C HETATM 1391 OE1 GLY A 120 5.567 11.723 -18.885 1.00 -0.57 O HETATM 1392 OE2 GLY A 120 3.616 10.805 -18.441 1.00 -0.57 O HETATM 1393 H43 GLY A 120 5.093 9.985 -16.354 1.00 0.04 H HETATM 1394 H44 GLY A 120 5.286 8.838 -17.722 1.00 0.04 H HETATM 1395 H41 GLY A 120 7.509 9.641 -18.176 1.00 0.03 H HETATM 1396 H42 GLY A 120 7.319 10.990 -17.005 1.00 0.03 H HETATM 1397 H40 GLY A 120 7.217 8.025 -16.277 1.00 0.08 H HETATM 1398 H39 GLY A 120 7.088 10.509 -14.649 1.00 0.19 H HETATM 1399 CB GLY A 120 4.492 9.206 -12.454 1.00 -0.00 C HETATM 1400 CG GLY A 120 4.101 7.837 -11.918 1.00 0.00 C HETATM 1401 CD GLY A 120 3.157 7.920 -10.740 1.00 0.04 C HETATM 1402 OE1 GLY A 120 1.964 8.221 -10.960 1.00 -0.57 O HETATM 1403 OE2 GLY A 120 3.619 7.674 -9.600 1.00 -0.57 O HETATM 1404 H37 GLY A 120 5.013 7.309 -11.602 1.00 0.04 H HETATM 1405 H38 GLY A 120 3.610 7.271 -12.723 1.00 0.04 H HETATM 1406 H35 GLY A 120 4.024 9.342 -13.440 1.00 0.03 H HETATM 1407 H36 GLY A 120 4.117 9.973 -11.761 1.00 0.03 H HETATM 1408 H34 GLY A 120 6.483 8.843 -11.772 1.00 0.08 H HETATM 1409 H33 GLY A 120 5.687 11.496 -12.617 1.00 0.19 H HETATM 1410 CB GLY A 120 7.728 13.133 -10.608 1.00 -0.00 C HETATM 1411 CG GLY A 120 8.778 12.638 -9.639 1.00 -0.00 C HETATM 1412 SD GLY A 120 8.195 12.965 -7.986 1.00 -0.16 S HETATM 1413 CE GLY A 120 6.842 11.808 -7.781 1.00 -0.02 C HETATM 1414 H30 GLY A 120 6.405 11.928 -6.779 1.00 0.03 H HETATM 1415 H31 GLY A 120 7.218 10.780 -7.896 1.00 0.03 H HETATM 1416 H32 GLY A 120 6.073 12.005 -8.542 1.00 0.03 H HETATM 1417 H28 GLY A 120 9.726 13.168 -9.812 1.00 0.04 H HETATM 1418 H29 GLY A 120 8.932 11.557 -9.774 1.00 0.04 H HETATM 1419 H26 GLY A 120 6.744 12.796 -10.252 1.00 0.03 H HETATM 1420 H27 GLY A 120 7.758 14.233 -10.616 1.00 0.03 H HETATM 1421 H25 GLY A 120 8.949 12.820 -12.353 1.00 0.08 H HETATM 1422 H24 GLY A 120 6.300 13.923 -12.458 1.00 0.19 H HETATM 1423 CB GLY A 120 5.296 13.751 -15.901 1.00 -0.01 C HETATM 1424 CG GLY A 120 4.414 14.774 -16.625 1.00 -0.04 C HETATM 1425 CD GLY A 120 3.450 15.526 -15.674 1.00 -0.01 C HETATM 1426 CE GLY A 120 2.742 16.730 -16.313 1.00 -0.04 C HETATM 1427 NZ GLY A 120 3.678 17.813 -16.748 1.00 0.22 N HETATM 1428 H21 GLY A 120 3.151 18.569 -17.157 1.00 0.20 H HETATM 1429 H22 GLY A 120 4.323 17.446 -17.430 1.00 0.20 H HETATM 1430 H23 GLY A 120 4.191 18.154 -15.950 1.00 0.20 H HETATM 1431 H19 GLY A 120 2.040 17.151 -15.578 1.00 0.08 H HETATM 1432 H20 GLY A 120 2.184 16.378 -17.193 1.00 0.08 H HETATM 1433 H17 GLY A 120 4.029 15.886 -14.810 1.00 0.03 H HETATM 1434 H18 GLY A 120 2.682 14.817 -15.331 1.00 0.03 H HETATM 1435 H15 GLY A 120 3.817 14.247 -17.384 1.00 0.03 H HETATM 1436 H16 GLY A 120 5.065 15.511 -17.118 1.00 0.03 H HETATM 1437 H13 GLY A 120 4.641 13.053 -15.359 1.00 0.03 H HETATM 1438 H14 GLY A 120 5.875 13.199 -16.656 1.00 0.03 H HETATM 1439 H12 GLY A 120 5.705 14.953 -14.167 1.00 0.08 H HETATM 1440 H11 GLY A 120 7.587 14.884 -16.458 1.00 0.19 H HETATM 1441 CB GLY A 120 9.794 17.494 -15.053 1.00 0.08 C HETATM 1442 OG GLY A 120 10.783 18.165 -15.787 1.00 -0.39 O HETATM 1443 H10 GLY A 120 10.413 18.952 -16.169 1.00 0.21 H HETATM 1444 H8 GLY A 120 10.225 16.584 -14.610 1.00 0.06 H HETATM 1445 H9 GLY A 120 9.426 18.153 -14.252 1.00 0.06 H HETATM 1446 H7 GLY A 120 9.006 16.464 -16.764 1.00 0.08 H HETATM 1447 H6 GLY A 120 8.444 19.209 -16.270 1.00 0.19 H HETATM 1448 H4 GLY A 120 5.404 19.701 -17.330 1.00 0.11 H HETATM 1449 H5 GLY A 120 7.031 20.453 -17.216 1.00 0.11 H HETATM 1450 H1 GLY A 120 5.967 20.924 -19.299 1.00 0.20 H HETATM 1451 H2 GLY A 120 5.823 19.325 -19.659 1.00 0.20 H HETATM 1452 H3 GLY A 120 7.314 20.014 -19.555 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1335 1336 1450 1451 1452 CONECT 1336 1335 1337 1448 1449 CONECT 1337 1336 1338 1339 CONECT 1338 1337 CONECT 1339 1337 1340 1447 CONECT 1340 1339 1341 1441 1446 CONECT 1341 1340 1342 1343 CONECT 1342 1341 CONECT 1343 1341 1344 1440 CONECT 1344 1343 1345 1423 1439 CONECT 1345 1344 1346 1347 CONECT 1346 1345 CONECT 1347 1345 1348 1422 CONECT 1348 1347 1349 1410 1421 CONECT 1349 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 1352 1409 CONECT 1352 1351 1353 1399 1408 CONECT 1353 1352 1354 1355 CONECT 1354 1353 CONECT 1355 1353 1356 1398 CONECT 1356 1355 1357 1388 1397 CONECT 1357 1356 1358 1359 CONECT 1358 1357 CONECT 1359 1357 1360 1387 CONECT 1360 1359 1361 1376 1386 CONECT 1361 1360 1362 1363 CONECT 1362 1361 CONECT 1363 1361 1364 1375 CONECT 1364 1363 1365 1368 1374 CONECT 1365 1364 1366 1367 CONECT 1366 1365 CONECT 1367 1365 CONECT 1368 1364 1369 1372 1373 CONECT 1369 1368 1370 1371 CONECT 1370 1369 CONECT 1371 1369 CONECT 1372 1368 CONECT 1373 1368 CONECT 1374 1364 CONECT 1375 1363 CONECT 1376 1360 1377 1381 1385 CONECT 1377 1376 1378 1379 1380 CONECT 1378 1377 CONECT 1379 1377 CONECT 1380 1377 CONECT 1381 1376 1382 1383 1384 CONECT 1382 1381 CONECT 1383 1381 CONECT 1384 1381 CONECT 1385 1376 CONECT 1386 1360 CONECT 1387 1359 CONECT 1388 1356 1389 1395 1396 CONECT 1389 1388 1390 1393 1394 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1389 CONECT 1394 1389 CONECT 1395 1388 CONECT 1396 1388 CONECT 1397 1356 CONECT 1398 1355 CONECT 1399 1352 1400 1406 1407 CONECT 1400 1399 1401 1404 1405 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1400 CONECT 1405 1400 CONECT 1406 1399 CONECT 1407 1399 CONECT 1408 1352 CONECT 1409 1351 CONECT 1410 1348 1411 1419 1420 CONECT 1411 1410 1412 1417 1418 CONECT 1412 1411 1413 CONECT 1413 1412 1414 1415 1416 CONECT 1414 1413 CONECT 1415 1413 CONECT 1416 1413 CONECT 1417 1411 CONECT 1418 1411 CONECT 1419 1410 CONECT 1420 1410 CONECT 1421 1348 CONECT 1422 1347 CONECT 1423 1344 1424 1437 1438 CONECT 1424 1423 1425 1435 1436 CONECT 1425 1424 1426 1433 1434 CONECT 1426 1425 1427 1431 1432 CONECT 1427 1426 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1426 CONECT 1432 1426 CONECT 1433 1425 CONECT 1434 1425 CONECT 1435 1424 CONECT 1436 1424 CONECT 1437 1423 CONECT 1438 1423 CONECT 1439 1344 CONECT 1440 1343 CONECT 1441 1340 1442 1444 1445 CONECT 1442 1441 1443 CONECT 1443 1442 CONECT 1444 1441 CONECT 1445 1441 CONECT 1446 1340 CONECT 1447 1339 CONECT 1448 1336 CONECT 1449 1336 CONECT 1450 1335 CONECT 1451 1335 CONECT 1452 1335 MASTER 0 0 0 0 0 0 0 0 1451 1 122 10 END
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Related entries of code: 6hpg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6q3q
RCSB PDB
PDBbind
121aa, >6Q3Q_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6hpg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
OM64
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=3.17uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Mitochondrion Vol. 44: pp. 93-102
Ligand Properties
Formula
C
3
5
H
6
1
N
9
O
1
6
S
Molecular Weight
895.975
Exact Mass
895.396
No. of atoms
122
No. of bonds
121
Polar Surface Area
453.71
LOGP Value
-3.82 (
Computed with XLOGP3
)
-3.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 0
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)O)CC(=O)O)C(C)C)CCC(=O)O)CCC(=O)O)CCSC)NC(=O)[C@@H](NC(=O)C[NH3+])CO
InChI String
InChI=1S/C35H59N9O16S/c1-17(2)28(34(58)43-22(35(59)60)14-27(51)52)44-32(56)20(8-10-26(49)50)41-30(54)19(7-9-25(47)48)40-31(55)21(11-13-61-3)42-29(53)18(6-4-5-12-36)39-33(57)23(16-45)38-24(46)15-37/h17-23,28,45H,4-16,36-37H2,1-3H3,(H,38,46)(H,39,57)(H,40,55)(H,41,54)(H,42,53)(H,43,58)(H,44,56)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/p+2/t18-,19-,20-,21-,22-,23-,28-/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):
F4KCL7
O03986
Entrez Gene ID
NCBI Entrez Gene ID:
830801
835698
ASD
Information of known allosteric effects of PDB entries
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