Browse entries in the PDBbind-CN Database
HEADER 5EZ0_COMPLEX COMPND 5EZ0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 80 PRO HIS ASP ASN LEU VAL LEU ILE ARG MET LYS PRO ASP SEQRES 2 A 80 GLU ASN GLY ARG PHE GLY PHE ASN VAL LYS GLY GLY TYR SEQRES 3 A 80 ASP GLN LYS MET PRO VAL ILE VAL SER ARG VAL ALA PRO SEQRES 4 A 80 GLY THR PRO ALA ASP LEU CYS VAL PRO ARG LEU ASN GLU SEQRES 5 A 80 GLY ASP GLN VAL VAL LEU ILE ASN GLY ARG ASP ILE ALA SEQRES 6 A 80 GLU HIS THR HIS ASP GLN VAL VAL LEU PHE ILE LYS ALA SEQRES 7 A 80 SER CYS SEQRES 1 A 10 GLY GLU LEU MET LEU LEU VAL ARG PRO ASN HET SER A 108 98 ATOM 1 N PRO A 511 23.001 -12.253 25.940 1.00 62.39 N ATOM 2 CA PRO A 511 22.898 -12.420 27.397 1.00 60.82 C ATOM 3 C PRO A 511 23.197 -13.854 27.826 1.00 64.08 C ATOM 4 O PRO A 511 22.613 -14.792 27.274 1.00 62.96 O ATOM 5 CB PRO A 511 21.450 -12.008 27.713 1.00 60.41 C ATOM 6 CG PRO A 511 20.880 -11.470 26.429 1.00 65.18 C ATOM 7 CD PRO A 511 21.680 -12.064 25.319 1.00 62.55 C ATOM 8 HN2 PRO A 511 23.446 -13.101 25.534 1.00 0.00 H ATOM 9 HN1 PRO A 511 23.591 -11.421 25.737 1.00 0.00 H ATOM 10 N HIS A 512 24.124 -14.021 28.799 1.00 61.01 N ATOM 11 CA HIS A 512 24.557 -15.326 29.325 1.00 60.82 C ATOM 12 C HIS A 512 25.310 -15.259 30.666 1.00 64.72 C ATOM 13 O HIS A 512 25.569 -16.310 31.256 1.00 64.40 O ATOM 14 CB HIS A 512 25.412 -16.092 28.286 1.00 63.48 C ATOM 15 CG HIS A 512 26.421 -15.242 27.575 1.00 69.10 C ATOM 16 ND1 HIS A 512 27.486 -14.668 28.247 1.00 72.43 N ATOM 17 CD2 HIS A 512 26.494 -14.901 26.268 1.00 72.00 C ATOM 18 CE1 HIS A 512 28.166 -13.995 27.333 1.00 73.96 C ATOM 19 NE2 HIS A 512 27.607 -14.107 26.127 1.00 74.18 N ATOM 20 H HIS A 512 24.560 -13.168 29.203 1.00 0.00 H ATOM 21 N ASP A 513 25.670 -14.047 31.141 1.00 61.52 N ATOM 22 CA ASP A 513 26.460 -13.860 32.365 1.00 62.07 C ATOM 23 C ASP A 513 25.636 -13.708 33.657 1.00 63.38 C ATOM 24 O ASP A 513 25.816 -14.517 34.568 1.00 63.27 O ATOM 25 CB ASP A 513 27.459 -12.693 32.216 1.00 66.02 C ATOM 26 CG ASP A 513 26.895 -11.450 31.554 1.00 75.81 C ATOM 27 OD1 ASP A 513 26.623 -11.499 30.333 1.00 81.54 O ATOM 28 OD2 ASP A 513 26.732 -10.429 32.253 1.00 76.37 O ATOM 29 H ASP A 513 25.372 -13.202 30.613 1.00 0.00 H ATOM 30 N ASN A 514 24.779 -12.673 33.761 1.00 57.72 N ATOM 31 CA ASN A 514 23.973 -12.432 34.964 1.00 55.78 C ATOM 32 C ASN A 514 22.484 -12.600 34.661 1.00 55.92 C ATOM 33 O ASN A 514 21.787 -11.622 34.386 1.00 54.95 O ATOM 34 CB ASN A 514 24.284 -11.054 35.578 1.00 58.05 C ATOM 35 CG ASN A 514 25.735 -10.845 35.938 1.00 85.29 C ATOM 36 OD1 ASN A 514 26.273 -11.464 36.863 1.00 80.92 O ATOM 37 ND2 ASN A 514 26.397 -9.947 35.223 1.00 79.14 N ATOM 38 HD22 ASN A 514 25.918 -9.442 34.451 1.00 0.00 H ATOM 39 HD21 ASN A 514 27.396 -9.748 35.434 1.00 0.00 H ATOM 40 H ASN A 514 24.685 -12.019 32.957 1.00 0.00 H ATOM 41 N LEU A 515 22.005 -13.853 34.696 1.00 50.24 N ATOM 42 CA LEU A 515 20.613 -14.181 34.390 1.00 47.61 C ATOM 43 C LEU A 515 19.785 -14.534 35.624 1.00 48.98 C ATOM 44 O LEU A 515 20.331 -14.961 36.643 1.00 49.09 O ATOM 45 CB LEU A 515 20.524 -15.284 33.321 1.00 47.57 C ATOM 46 CG LEU A 515 21.161 -14.974 31.960 1.00 53.07 C ATOM 47 CD1 LEU A 515 21.407 -16.236 31.189 1.00 53.79 C ATOM 48 CD2 LEU A 515 20.303 -14.028 31.134 1.00 54.72 C ATOM 49 H LEU A 515 22.653 -14.625 34.952 1.00 0.00 H ATOM 50 N VAL A 516 18.461 -14.326 35.529 1.00 43.33 N ATOM 51 CA VAL A 516 17.506 -14.567 36.612 1.00 42.25 C ATOM 52 C VAL A 516 16.395 -15.523 36.147 1.00 43.99 C ATOM 53 O VAL A 516 15.764 -15.274 35.119 1.00 42.55 O ATOM 54 CB VAL A 516 16.959 -13.213 37.166 1.00 45.83 C ATOM 55 CG1 VAL A 516 15.718 -13.405 38.030 1.00 45.13 C ATOM 56 CG2 VAL A 516 18.035 -12.456 37.942 1.00 46.85 C ATOM 57 H VAL A 516 18.090 -13.970 34.625 1.00 0.00 H ATOM 58 N LEU A 517 16.173 -16.619 36.903 1.00 40.54 N ATOM 59 CA LEU A 517 15.129 -17.606 36.614 1.00 39.67 C ATOM 60 C LEU A 517 13.882 -17.277 37.433 1.00 42.39 C ATOM 61 O LEU A 517 13.938 -17.228 38.664 1.00 42.60 O ATOM 62 CB LEU A 517 15.619 -19.044 36.885 1.00 40.92 C ATOM 63 CG LEU A 517 14.716 -20.189 36.402 1.00 45.60 C ATOM 64 CD1 LEU A 517 14.817 -20.383 34.894 1.00 45.31 C ATOM 65 CD2 LEU A 517 15.070 -21.484 37.101 1.00 49.49 C ATOM 66 H LEU A 517 16.776 -16.771 37.736 1.00 0.00 H ATOM 67 N ILE A 518 12.767 -17.022 36.735 1.00 37.58 N ATOM 68 CA ILE A 518 11.484 -16.647 37.327 1.00 36.84 C ATOM 69 C ILE A 518 10.410 -17.698 37.036 1.00 40.46 C ATOM 70 O ILE A 518 10.267 -18.142 35.895 1.00 39.61 O ATOM 71 CB ILE A 518 11.073 -15.210 36.873 1.00 38.96 C ATOM 72 CG1 ILE A 518 12.083 -14.158 37.391 1.00 39.57 C ATOM 73 CG2 ILE A 518 9.643 -14.854 37.310 1.00 39.45 C ATOM 74 CD1 ILE A 518 12.121 -12.852 36.642 1.00 45.21 C ATOM 75 H ILE A 518 12.818 -17.096 35.699 1.00 0.00 H ATOM 76 N ARG A 519 9.662 -18.084 38.083 1.00 37.61 N ATOM 77 CA ARG A 519 8.554 -19.035 38.018 1.00 37.94 C ATOM 78 C ARG A 519 7.293 -18.354 38.547 1.00 41.28 C ATOM 79 O ARG A 519 7.313 -17.782 39.640 1.00 41.52 O ATOM 80 CB ARG A 519 8.864 -20.312 38.816 1.00 40.20 C ATOM 81 CG ARG A 519 9.919 -21.201 38.171 1.00 52.15 C ATOM 82 CD ARG A 519 10.256 -22.380 39.057 1.00 66.47 C ATOM 83 NE ARG A 519 11.583 -22.918 38.760 1.00 77.54 N ATOM 84 CZ ARG A 519 12.204 -23.833 39.497 1.00 95.34 C ATOM 85 NH1 ARG A 519 11.625 -24.325 40.586 1.00 84.84 N ATOM 86 NH2 ARG A 519 13.411 -24.261 39.154 1.00 83.92 N ATOM 87 HE ARG A 519 12.074 -22.561 37.915 1.00 0.00 H ATOM 88 HH12 ARG A 519 12.117 -25.041 41.158 1.00 0.00 H ATOM 89 HH11 ARG A 519 10.680 -23.994 40.867 1.00 0.00 H ATOM 90 HH22 ARG A 519 13.893 -24.977 39.734 1.00 0.00 H ATOM 91 HH21 ARG A 519 13.876 -23.881 38.305 1.00 0.00 H ATOM 92 H ARG A 519 9.889 -17.674 39.012 1.00 0.00 H ATOM 93 N MET A 520 6.211 -18.382 37.754 1.00 36.73 N ATOM 94 CA MET A 520 4.936 -17.766 38.127 1.00 36.30 C ATOM 95 C MET A 520 3.732 -18.585 37.671 1.00 40.02 C ATOM 96 O MET A 520 3.697 -19.065 36.536 1.00 38.86 O ATOM 97 CB MET A 520 4.845 -16.297 37.653 1.00 37.33 C ATOM 98 CG MET A 520 4.971 -16.108 36.148 1.00 39.88 C ATOM 99 SD MET A 520 4.736 -14.394 35.640 1.00 43.18 S ATOM 100 CE MET A 520 6.423 -13.860 35.557 1.00 39.46 C ATOM 101 H MET A 520 6.281 -18.862 36.834 1.00 0.00 H ATOM 102 N LYS A 521 2.756 -18.757 38.571 1.00 37.75 N ATOM 103 CA LYS A 521 1.519 -19.480 38.291 1.00 38.65 C ATOM 104 C LYS A 521 0.498 -18.485 37.720 1.00 41.50 C ATOM 105 O LYS A 521 0.435 -17.359 38.216 1.00 40.69 O ATOM 106 CB LYS A 521 0.977 -20.142 39.569 1.00 43.49 C ATOM 107 H LYS A 521 2.886 -18.354 39.521 1.00 0.00 H ATOM 108 N PRO A 522 -0.295 -18.842 36.679 1.00 37.80 N ATOM 109 CA PRO A 522 -1.264 -17.869 36.136 1.00 37.07 C ATOM 110 C PRO A 522 -2.435 -17.585 37.077 1.00 42.31 C ATOM 111 O PRO A 522 -2.726 -18.397 37.960 1.00 43.41 O ATOM 112 CB PRO A 522 -1.742 -18.530 34.840 1.00 38.82 C ATOM 113 CG PRO A 522 -1.563 -19.987 35.072 1.00 44.60 C ATOM 114 CD PRO A 522 -0.355 -20.129 35.953 1.00 39.98 C ATOM 115 N ASP A 523 -3.118 -16.439 36.878 1.00 38.49 N ATOM 116 CA ASP A 523 -4.285 -16.076 37.682 1.00 39.90 C ATOM 117 C ASP A 523 -5.544 -16.839 37.215 1.00 45.27 C ATOM 118 O ASP A 523 -5.441 -17.735 36.373 1.00 44.66 O ATOM 119 CB ASP A 523 -4.493 -14.541 37.734 1.00 40.99 C ATOM 120 CG ASP A 523 -4.766 -13.818 36.419 1.00 49.71 C ATOM 121 OD1 ASP A 523 -5.309 -14.451 35.486 1.00 49.92 O ATOM 122 OD2 ASP A 523 -4.511 -12.599 36.352 1.00 55.67 O ATOM 123 H ASP A 523 -2.804 -15.791 36.127 1.00 0.00 H ATOM 124 N GLU A 524 -6.721 -16.472 37.756 1.00 43.67 N ATOM 125 CA GLU A 524 -8.030 -17.073 37.461 1.00 45.59 C ATOM 126 C GLU A 524 -8.388 -17.025 35.967 1.00 48.60 C ATOM 127 O GLU A 524 -8.953 -17.988 35.445 1.00 49.31 O ATOM 128 CB GLU A 524 -9.148 -16.398 38.284 1.00 48.91 C ATOM 129 CG GLU A 524 -8.887 -16.291 39.781 1.00 61.17 C ATOM 130 CD GLU A 524 -8.051 -15.098 40.209 1.00 80.38 C ATOM 131 OE1 GLU A 524 -8.486 -13.947 39.977 1.00 76.06 O ATOM 132 OE2 GLU A 524 -6.954 -15.317 40.773 1.00 72.55 O ATOM 133 H GLU A 524 -6.703 -15.693 38.445 1.00 0.00 H ATOM 134 N ASN A 525 -8.053 -15.907 35.290 1.00 43.34 N ATOM 135 CA ASN A 525 -8.336 -15.670 33.869 1.00 42.39 C ATOM 136 C ASN A 525 -7.228 -16.175 32.927 1.00 44.49 C ATOM 137 O ASN A 525 -7.319 -15.986 31.710 1.00 43.54 O ATOM 138 CB ASN A 525 -8.604 -14.175 33.626 1.00 42.91 C ATOM 139 CG ASN A 525 -9.688 -13.583 34.495 1.00 66.61 C ATOM 140 OD1 ASN A 525 -10.863 -13.955 34.413 1.00 63.98 O ATOM 141 ND2 ASN A 525 -9.314 -12.628 35.332 1.00 57.43 N ATOM 142 HD22 ASN A 525 -8.316 -12.337 35.377 1.00 0.00 H ATOM 143 HD21 ASN A 525 -10.018 -12.168 35.944 1.00 0.00 H ATOM 144 H ASN A 525 -7.557 -15.157 35.814 1.00 0.00 H ATOM 145 N GLY A 526 -6.209 -16.820 33.495 1.00 40.37 N ATOM 146 CA GLY A 526 -5.065 -17.329 32.748 1.00 38.76 C ATOM 147 C GLY A 526 -4.166 -16.201 32.286 1.00 40.65 C ATOM 148 O GLY A 526 -3.767 -16.157 31.121 1.00 39.70 O ATOM 149 H GLY A 526 -6.231 -16.968 34.524 1.00 0.00 H ATOM 150 N ARG A 527 -3.885 -15.252 33.190 1.00 36.26 N ATOM 151 CA ARG A 527 -3.046 -14.092 32.903 1.00 34.46 C ATOM 152 C ARG A 527 -1.866 -14.008 33.860 1.00 37.10 C ATOM 153 O ARG A 527 -1.938 -14.523 34.979 1.00 37.37 O ATOM 154 CB ARG A 527 -3.871 -12.785 32.906 1.00 34.94 C ATOM 155 CG ARG A 527 -4.850 -12.651 31.734 1.00 45.46 C ATOM 156 CD ARG A 527 -4.165 -12.270 30.431 1.00 55.34 C ATOM 157 NE ARG A 527 -5.048 -12.450 29.278 1.00 66.06 N ATOM 158 CZ ARG A 527 -5.662 -11.460 28.637 1.00 81.86 C ATOM 159 NH1 ARG A 527 -5.490 -10.202 29.023 1.00 68.95 N ATOM 160 NH2 ARG A 527 -6.446 -11.720 27.599 1.00 70.28 N ATOM 161 HE ARG A 527 -5.206 -13.419 28.936 1.00 0.00 H ATOM 162 HH12 ARG A 527 -5.973 -9.432 28.517 1.00 0.00 H ATOM 163 HH11 ARG A 527 -4.872 -9.986 29.831 1.00 0.00 H ATOM 164 HH22 ARG A 527 -6.924 -10.942 27.101 1.00 0.00 H ATOM 165 HH21 ARG A 527 -6.583 -12.702 27.283 1.00 0.00 H ATOM 166 H ARG A 527 -4.285 -15.347 34.145 1.00 0.00 H ATOM 167 N PHE A 528 -0.774 -13.374 33.412 1.00 32.34 N ATOM 168 CA PHE A 528 0.443 -13.225 34.209 1.00 31.67 C ATOM 169 C PHE A 528 0.690 -11.784 34.653 1.00 34.91 C ATOM 170 O PHE A 528 1.334 -11.567 35.678 1.00 34.96 O ATOM 171 CB PHE A 528 1.656 -13.821 33.480 1.00 32.76 C ATOM 172 CG PHE A 528 1.504 -15.285 33.137 1.00 34.89 C ATOM 173 CD1 PHE A 528 1.754 -16.269 34.087 1.00 38.77 C ATOM 174 CD2 PHE A 528 1.105 -15.680 31.866 1.00 37.03 C ATOM 175 CE1 PHE A 528 1.598 -17.621 33.774 1.00 40.40 C ATOM 176 CE2 PHE A 528 0.957 -17.033 31.551 1.00 40.56 C ATOM 177 CZ PHE A 528 1.206 -17.995 32.506 1.00 39.45 C ATOM 178 H PHE A 528 -0.793 -12.970 32.454 1.00 0.00 H ATOM 179 N GLY A 529 0.163 -10.827 33.891 1.00 30.91 N ATOM 180 CA GLY A 529 0.254 -9.401 34.184 1.00 30.69 C ATOM 181 C GLY A 529 1.496 -8.691 33.690 1.00 33.56 C ATOM 182 O GLY A 529 2.036 -7.836 34.397 1.00 33.30 O ATOM 183 H GLY A 529 -0.346 -11.115 33.031 1.00 0.00 H ATOM 184 N PHE A 530 1.948 -9.019 32.468 1.00 29.55 N ATOM 185 CA PHE A 530 3.111 -8.376 31.855 1.00 29.04 C ATOM 186 C PHE A 530 2.979 -8.253 30.336 1.00 33.19 C ATOM 187 O PHE A 530 2.273 -9.044 29.710 1.00 32.40 O ATOM 188 CB PHE A 530 4.437 -9.050 32.269 1.00 30.32 C ATOM 189 CG PHE A 530 4.742 -10.392 31.643 1.00 31.41 C ATOM 190 CD1 PHE A 530 4.260 -11.566 32.207 1.00 33.42 C ATOM 191 CD2 PHE A 530 5.569 -10.486 30.530 1.00 34.32 C ATOM 192 CE1 PHE A 530 4.565 -12.808 31.643 1.00 36.17 C ATOM 193 CE2 PHE A 530 5.873 -11.729 29.968 1.00 35.08 C ATOM 194 CZ PHE A 530 5.367 -12.881 30.527 1.00 34.20 C ATOM 195 H PHE A 530 1.451 -9.761 31.935 1.00 0.00 H ATOM 196 N ASN A 531 3.659 -7.253 29.752 1.00 30.59 N ATOM 197 CA ASN A 531 3.653 -7.001 28.311 1.00 31.13 C ATOM 198 C ASN A 531 5.012 -7.325 27.698 1.00 35.72 C ATOM 199 O ASN A 531 6.038 -7.146 28.356 1.00 35.05 O ATOM 200 CB ASN A 531 3.279 -5.541 28.016 1.00 32.02 C ATOM 201 CG ASN A 531 1.908 -5.094 28.484 1.00 50.80 C ATOM 202 OD1 ASN A 531 1.188 -5.793 29.207 1.00 42.30 O ATOM 203 ND2 ASN A 531 1.528 -3.887 28.096 1.00 43.09 N ATOM 204 HD22 ASN A 531 2.150 -3.317 27.488 1.00 0.00 H ATOM 205 HD21 ASN A 531 0.608 -3.509 28.399 1.00 0.00 H ATOM 206 H ASN A 531 4.221 -6.622 30.358 1.00 0.00 H ATOM 207 N VAL A 532 5.019 -7.795 26.438 1.00 33.53 N ATOM 208 CA VAL A 532 6.249 -8.111 25.701 1.00 34.37 C ATOM 209 C VAL A 532 6.352 -7.306 24.407 1.00 40.91 C ATOM 210 O VAL A 532 5.336 -7.017 23.777 1.00 40.83 O ATOM 211 CB VAL A 532 6.499 -9.628 25.453 1.00 37.76 C ATOM 212 CG1 VAL A 532 6.757 -10.375 26.756 1.00 36.63 C ATOM 213 CG2 VAL A 532 5.371 -10.276 24.651 1.00 37.68 C ATOM 214 H VAL A 532 4.107 -7.942 25.961 1.00 0.00 H ATOM 215 N LYS A 533 7.586 -6.970 24.009 1.00 39.85 N ATOM 216 CA LYS A 533 7.894 -6.235 22.785 1.00 42.09 C ATOM 217 C LYS A 533 9.128 -6.849 22.127 1.00 48.25 C ATOM 218 O LYS A 533 10.117 -7.120 22.810 1.00 47.82 O ATOM 219 CB LYS A 533 8.126 -4.747 23.091 1.00 45.78 C ATOM 220 H LYS A 533 8.382 -7.253 24.615 1.00 0.00 H ATOM 221 N GLY A 534 9.046 -7.083 20.819 1.00 46.77 N ATOM 222 CA GLY A 534 10.139 -7.652 20.037 1.00 48.06 C ATOM 223 C GLY A 534 9.953 -9.094 19.609 1.00 52.02 C ATOM 224 O GLY A 534 8.854 -9.645 19.708 1.00 50.48 O ATOM 225 H GLY A 534 8.159 -6.849 20.330 1.00 0.00 H ATOM 226 N GLY A 535 11.044 -9.690 19.130 1.00 50.25 N ATOM 227 CA GLY A 535 11.105 -11.064 18.640 1.00 50.28 C ATOM 228 C GLY A 535 12.043 -11.196 17.456 1.00 57.13 C ATOM 229 O GLY A 535 13.090 -10.542 17.423 1.00 58.26 O ATOM 230 H GLY A 535 11.922 -9.132 19.103 1.00 0.00 H ATOM 231 N TYR A 536 11.682 -12.045 16.477 1.00 54.70 N ATOM 232 CA TYR A 536 12.481 -12.224 15.261 1.00 57.20 C ATOM 233 C TYR A 536 11.900 -11.400 14.113 1.00 63.07 C ATOM 234 O TYR A 536 12.662 -10.821 13.338 1.00 64.99 O ATOM 235 CB TYR A 536 12.632 -13.705 14.876 1.00 58.62 C ATOM 236 CG TYR A 536 13.717 -13.949 13.848 1.00 63.24 C ATOM 237 CD1 TYR A 536 15.057 -14.014 14.221 1.00 65.98 C ATOM 238 CD2 TYR A 536 13.405 -14.117 12.502 1.00 66.13 C ATOM 239 CE1 TYR A 536 16.061 -14.234 13.279 1.00 69.61 C ATOM 240 CE2 TYR A 536 14.400 -14.337 11.550 1.00 69.84 C ATOM 241 CZ TYR A 536 15.727 -14.397 11.944 1.00 78.17 C ATOM 242 OH TYR A 536 16.712 -14.616 11.011 1.00 82.36 O ATOM 243 HH TYR A 536 17.594 -14.629 11.461 1.00 0.00 H ATOM 244 H TYR A 536 10.805 -12.594 16.587 1.00 0.00 H ATOM 245 N ASP A 537 10.550 -11.333 14.022 1.00 58.95 N ATOM 246 CA ASP A 537 9.809 -10.548 13.025 1.00 60.56 C ATOM 247 C ASP A 537 10.063 -9.049 13.237 1.00 65.55 C ATOM 248 O ASP A 537 10.118 -8.290 12.268 1.00 67.66 O ATOM 249 CB ASP A 537 8.300 -10.876 13.069 1.00 61.12 C ATOM 250 CG ASP A 537 7.584 -10.608 14.387 1.00 68.15 C ATOM 251 OD1 ASP A 537 8.242 -10.673 15.449 1.00 67.12 O ATOM 252 OD2 ASP A 537 6.357 -10.379 14.358 1.00 73.71 O ATOM 253 H ASP A 537 9.995 -11.880 14.711 1.00 0.00 H ATOM 254 N GLN A 538 10.240 -8.643 14.509 1.00 60.54 N ATOM 255 CA GLN A 538 10.576 -7.280 14.926 1.00 61.28 C ATOM 256 C GLN A 538 12.099 -7.278 15.101 1.00 66.70 C ATOM 257 O GLN A 538 12.628 -8.170 15.770 1.00 65.01 O ATOM 258 CB GLN A 538 9.907 -6.915 16.276 1.00 60.15 C ATOM 259 CG GLN A 538 8.487 -7.448 16.504 1.00 72.76 C ATOM 260 CD GLN A 538 7.416 -6.632 15.825 1.00 93.96 C ATOM 261 OE1 GLN A 538 7.216 -5.447 16.118 1.00 90.20 O ATOM 262 NE2 GLN A 538 6.659 -7.268 14.944 1.00 86.90 N ATOM 263 HE22 GLN A 538 6.851 -8.265 14.717 1.00 0.00 H ATOM 264 HE21 GLN A 538 5.873 -6.771 14.479 1.00 0.00 H ATOM 265 H GLN A 538 10.129 -9.357 15.257 1.00 0.00 H ATOM 266 N LYS A 539 12.807 -6.303 14.503 1.00 66.26 N ATOM 267 CA LYS A 539 14.269 -6.212 14.609 1.00 67.70 C ATOM 268 C LYS A 539 14.690 -5.630 15.976 1.00 70.41 C ATOM 269 O LYS A 539 15.336 -4.581 16.050 1.00 71.99 O ATOM 270 CB LYS A 539 14.856 -5.422 13.424 1.00 74.25 C ATOM 271 H LYS A 539 12.300 -5.587 13.945 1.00 0.00 H ATOM 272 N MET A 540 14.303 -6.335 17.059 1.00 63.95 N ATOM 273 CA MET A 540 14.538 -5.980 18.461 1.00 62.20 C ATOM 274 C MET A 540 14.333 -7.236 19.339 1.00 62.11 C ATOM 275 O MET A 540 13.383 -7.984 19.083 1.00 60.53 O ATOM 276 CB MET A 540 13.537 -4.885 18.885 1.00 64.32 C ATOM 277 CG MET A 540 13.980 -4.065 20.076 1.00 68.01 C ATOM 278 SD MET A 540 12.628 -3.091 20.783 1.00 71.38 S ATOM 279 CE MET A 540 11.859 -4.311 21.830 1.00 64.57 C ATOM 280 H MET A 540 13.786 -7.220 16.881 1.00 0.00 H ATOM 281 N PRO A 541 15.166 -7.486 20.386 1.00 56.80 N ATOM 282 CA PRO A 541 14.941 -8.677 21.233 1.00 53.78 C ATOM 283 C PRO A 541 13.671 -8.593 22.093 1.00 53.63 C ATOM 284 O PRO A 541 13.075 -7.518 22.200 1.00 53.29 O ATOM 285 CB PRO A 541 16.206 -8.742 22.093 1.00 55.92 C ATOM 286 CG PRO A 541 16.682 -7.339 22.166 1.00 62.18 C ATOM 287 CD PRO A 541 16.348 -6.722 20.840 1.00 59.71 C ATOM 288 N VAL A 542 13.252 -9.727 22.693 1.00 47.06 N ATOM 289 CA VAL A 542 12.056 -9.794 23.541 1.00 44.49 C ATOM 290 C VAL A 542 12.319 -9.090 24.879 1.00 46.66 C ATOM 291 O VAL A 542 13.132 -9.557 25.678 1.00 45.76 O ATOM 292 CB VAL A 542 11.490 -11.235 23.701 1.00 47.06 C ATOM 293 CG1 VAL A 542 10.224 -11.242 24.557 1.00 45.38 C ATOM 294 CG2 VAL A 542 11.209 -11.869 22.342 1.00 47.66 C ATOM 295 H VAL A 542 13.804 -10.596 22.547 1.00 0.00 H ATOM 296 N ILE A 543 11.648 -7.944 25.090 1.00 42.77 N ATOM 297 CA ILE A 543 11.779 -7.104 26.285 1.00 42.18 C ATOM 298 C ILE A 543 10.438 -7.021 27.023 1.00 44.08 C ATOM 299 O ILE A 543 9.394 -6.853 26.387 1.00 43.64 O ATOM 300 CB ILE A 543 12.307 -5.672 25.910 1.00 47.22 C ATOM 301 CG1 ILE A 543 13.558 -5.702 24.972 1.00 49.47 C ATOM 302 CG2 ILE A 543 12.557 -4.786 27.145 1.00 48.01 C ATOM 303 CD1 ILE A 543 14.882 -6.343 25.506 1.00 56.44 C ATOM 304 H ILE A 543 10.987 -7.630 24.351 1.00 0.00 H ATOM 305 N VAL A 544 10.476 -7.112 28.367 1.00 39.23 N ATOM 306 CA VAL A 544 9.292 -6.964 29.215 1.00 37.92 C ATOM 307 C VAL A 544 9.072 -5.446 29.322 1.00 42.21 C ATOM 308 O VAL A 544 9.809 -4.765 30.034 1.00 42.58 O ATOM 309 CB VAL A 544 9.449 -7.661 30.598 1.00 40.93 C ATOM 310 CG1 VAL A 544 8.229 -7.420 31.482 1.00 40.32 C ATOM 311 CG2 VAL A 544 9.699 -9.157 30.437 1.00 40.06 C ATOM 312 H VAL A 544 11.392 -7.296 28.824 1.00 0.00 H ATOM 313 N SER A 545 8.114 -4.917 28.545 1.00 38.64 N ATOM 314 CA SER A 545 7.825 -3.482 28.471 1.00 39.49 C ATOM 315 C SER A 545 7.009 -2.926 29.639 1.00 42.55 C ATOM 316 O SER A 545 7.235 -1.782 30.036 1.00 43.48 O ATOM 317 CB SER A 545 7.154 -3.135 27.146 1.00 43.83 C ATOM 318 OG SER A 545 6.012 -3.944 26.915 1.00 51.70 O ATOM 319 HG SER A 545 5.601 -3.694 26.050 1.00 0.00 H ATOM 320 H SER A 545 7.544 -5.562 27.962 1.00 0.00 H ATOM 321 N ARG A 546 6.052 -3.709 30.169 1.00 37.29 N ATOM 322 CA ARG A 546 5.192 -3.268 31.270 1.00 36.79 C ATOM 323 C ARG A 546 4.831 -4.401 32.226 1.00 38.50 C ATOM 324 O ARG A 546 4.588 -5.521 31.782 1.00 37.18 O ATOM 325 CB ARG A 546 3.921 -2.595 30.715 1.00 38.12 C ATOM 326 CG ARG A 546 3.239 -1.592 31.662 1.00 51.03 C ATOM 327 CD ARG A 546 4.059 -0.337 31.977 1.00 63.15 C ATOM 328 NE ARG A 546 4.584 0.326 30.779 1.00 73.12 N ATOM 329 CZ ARG A 546 3.932 1.250 30.080 1.00 89.22 C ATOM 330 NH1 ARG A 546 2.715 1.636 30.447 1.00 76.42 N ATOM 331 NH2 ARG A 546 4.490 1.795 29.008 1.00 77.43 N ATOM 332 HE ARG A 546 5.533 0.054 30.453 1.00 0.00 H ATOM 333 HH12 ARG A 546 2.211 2.359 29.896 1.00 0.00 H ATOM 334 HH11 ARG A 546 2.267 1.215 31.286 1.00 0.00 H ATOM 335 HH22 ARG A 546 3.976 2.517 28.465 1.00 0.00 H ATOM 336 HH21 ARG A 546 5.442 1.500 28.710 1.00 0.00 H ATOM 337 H ARG A 546 5.917 -4.665 29.782 1.00 0.00 H ATOM 338 N VAL A 547 4.806 -4.101 33.540 1.00 34.69 N ATOM 339 CA VAL A 547 4.448 -5.042 34.610 1.00 33.56 C ATOM 340 C VAL A 547 3.290 -4.437 35.421 1.00 37.36 C ATOM 341 O VAL A 547 3.450 -3.379 36.038 1.00 37.53 O ATOM 342 CB VAL A 547 5.656 -5.454 35.508 1.00 37.27 C ATOM 343 CG1 VAL A 547 5.227 -6.429 36.605 1.00 36.95 C ATOM 344 CG2 VAL A 547 6.786 -6.059 34.680 1.00 36.52 C ATOM 345 H VAL A 547 5.059 -3.131 33.817 1.00 0.00 H ATOM 346 N ALA A 548 2.124 -5.106 35.390 1.00 33.38 N ATOM 347 CA ALA A 548 0.903 -4.688 36.080 1.00 33.93 C ATOM 348 C ALA A 548 0.978 -4.969 37.591 1.00 38.07 C ATOM 349 O ALA A 548 1.444 -6.042 37.972 1.00 37.32 O ATOM 350 CB ALA A 548 -0.297 -5.395 35.472 1.00 34.65 C ATOM 351 H ALA A 548 2.087 -5.985 34.835 1.00 0.00 H ATOM 352 N PRO A 549 0.529 -4.042 38.472 1.00 35.44 N ATOM 353 CA PRO A 549 0.616 -4.304 39.922 1.00 35.89 C ATOM 354 C PRO A 549 -0.439 -5.281 40.442 1.00 39.73 C ATOM 355 O PRO A 549 -1.583 -5.263 39.984 1.00 39.91 O ATOM 356 CB PRO A 549 0.458 -2.911 40.555 1.00 39.04 C ATOM 357 CG PRO A 549 0.418 -1.931 39.401 1.00 43.45 C ATOM 358 CD PRO A 549 -0.039 -2.706 38.214 1.00 38.00 C ATOM 359 N GLY A 550 -0.035 -6.116 41.399 1.00 35.88 N ATOM 360 CA GLY A 550 -0.892 -7.116 42.031 1.00 36.32 C ATOM 361 C GLY A 550 -1.175 -8.345 41.190 1.00 38.50 C ATOM 362 O GLY A 550 -2.151 -9.057 41.442 1.00 38.86 O ATOM 363 H GLY A 550 0.953 -6.052 41.716 1.00 0.00 H ATOM 364 N THR A 551 -0.317 -8.606 40.193 1.00 33.20 N ATOM 365 CA THR A 551 -0.446 -9.737 39.274 1.00 32.18 C ATOM 366 C THR A 551 0.689 -10.759 39.500 1.00 35.73 C ATOM 367 O THR A 551 1.685 -10.394 40.132 1.00 35.07 O ATOM 368 CB THR A 551 -0.476 -9.232 37.818 1.00 37.23 C ATOM 369 OG1 THR A 551 0.767 -8.604 37.497 1.00 33.91 O ATOM 370 CG2 THR A 551 -1.659 -8.313 37.527 1.00 35.34 C ATOM 371 HG1 THR A 551 0.916 -7.838 38.106 1.00 0.00 H ATOM 372 H THR A 551 0.491 -7.964 40.065 1.00 0.00 H ATOM 373 N PRO A 552 0.595 -12.014 38.972 1.00 32.48 N ATOM 374 CA PRO A 552 1.691 -12.986 39.172 1.00 32.19 C ATOM 375 C PRO A 552 3.106 -12.488 38.854 1.00 35.12 C ATOM 376 O PRO A 552 4.027 -12.843 39.581 1.00 35.17 O ATOM 377 CB PRO A 552 1.292 -14.153 38.268 1.00 33.75 C ATOM 378 CG PRO A 552 -0.184 -14.087 38.218 1.00 39.00 C ATOM 379 CD PRO A 552 -0.521 -12.629 38.218 1.00 34.26 C ATOM 380 N ALA A 553 3.274 -11.653 37.803 1.00 30.60 N ATOM 381 CA ALA A 553 4.571 -11.091 37.394 1.00 29.68 C ATOM 382 C ALA A 553 5.132 -10.065 38.384 1.00 34.18 C ATOM 383 O ALA A 553 6.348 -9.877 38.449 1.00 33.79 O ATOM 384 CB ALA A 553 4.466 -10.476 36.006 1.00 29.66 C ATOM 385 H ALA A 553 2.433 -11.392 37.249 1.00 0.00 H ATOM 386 N ASP A 554 4.246 -9.411 39.151 1.00 31.48 N ATOM 387 CA ASP A 554 4.588 -8.394 40.143 1.00 31.98 C ATOM 388 C ASP A 554 4.875 -8.987 41.531 1.00 37.04 C ATOM 389 O ASP A 554 5.678 -8.421 42.277 1.00 37.14 O ATOM 390 CB ASP A 554 3.446 -7.358 40.222 1.00 34.20 C ATOM 391 CG ASP A 554 3.629 -6.224 41.216 1.00 44.17 C ATOM 392 OD1 ASP A 554 4.652 -5.511 41.124 1.00 44.65 O ATOM 393 OD2 ASP A 554 2.725 -6.019 42.053 1.00 50.47 O ATOM 394 H ASP A 554 3.240 -9.646 39.030 1.00 0.00 H ATOM 395 N LEU A 555 4.218 -10.111 41.878 1.00 34.20 N ATOM 396 CA LEU A 555 4.323 -10.737 43.200 1.00 35.43 C ATOM 397 C LEU A 555 5.255 -11.964 43.281 1.00 40.10 C ATOM 398 O LEU A 555 5.479 -12.471 44.384 1.00 40.96 O ATOM 399 CB LEU A 555 2.917 -11.092 43.733 1.00 36.68 C ATOM 400 CG LEU A 555 1.828 -10.009 43.627 1.00 41.39 C ATOM 401 CD1 LEU A 555 0.453 -10.603 43.827 1.00 42.73 C ATOM 402 CD2 LEU A 555 2.067 -8.861 44.602 1.00 44.59 C ATOM 403 H LEU A 555 3.603 -10.559 41.169 1.00 0.00 H ATOM 404 N CYS A 556 5.808 -12.428 42.141 1.00 36.08 N ATOM 405 CA CYS A 556 6.720 -13.581 42.106 1.00 36.40 C ATOM 406 C CYS A 556 8.103 -13.256 42.685 1.00 41.16 C ATOM 407 O CYS A 556 8.491 -12.087 42.730 1.00 40.49 O ATOM 408 CB CYS A 556 6.824 -14.159 40.697 1.00 35.58 C ATOM 409 SG CYS A 556 7.339 -12.962 39.438 1.00 38.00 S ATOM 410 H CYS A 556 5.579 -11.949 41.247 1.00 0.00 H ATOM 411 N VAL A 557 8.834 -14.294 43.145 1.00 38.97 N ATOM 412 CA VAL A 557 10.186 -14.169 43.703 1.00 39.51 C ATOM 413 C VAL A 557 11.165 -15.062 42.903 1.00 43.10 C ATOM 414 O VAL A 557 11.047 -16.290 42.965 1.00 43.52 O ATOM 415 CB VAL A 557 10.252 -14.406 45.243 1.00 45.44 C ATOM 416 CG1 VAL A 557 11.696 -14.456 45.744 1.00 46.06 C ATOM 417 CG2 VAL A 557 9.476 -13.333 45.996 1.00 45.77 C ATOM 418 H VAL A 557 8.412 -15.243 43.101 1.00 0.00 H ATOM 419 N PRO A 558 12.126 -14.487 42.138 1.00 38.70 N ATOM 420 CA PRO A 558 12.407 -13.051 41.939 1.00 37.78 C ATOM 421 C PRO A 558 11.363 -12.366 41.058 1.00 39.90 C ATOM 422 O PRO A 558 10.741 -13.017 40.217 1.00 38.80 O ATOM 423 CB PRO A 558 13.805 -13.047 41.288 1.00 39.49 C ATOM 424 CG PRO A 558 14.312 -14.475 41.364 1.00 44.69 C ATOM 425 CD PRO A 558 13.076 -15.312 41.375 1.00 40.13 C ATOM 426 N ARG A 559 11.157 -11.057 41.274 1.00 35.97 N ATOM 427 CA ARG A 559 10.181 -10.251 40.542 1.00 34.66 C ATOM 428 C ARG A 559 10.605 -10.000 39.096 1.00 38.16 C ATOM 429 O ARG A 559 11.784 -9.754 38.831 1.00 38.17 O ATOM 430 CB ARG A 559 9.940 -8.915 41.270 1.00 33.97 C ATOM 431 CG ARG A 559 8.704 -8.156 40.794 1.00 38.84 C ATOM 432 CD ARG A 559 8.662 -6.740 41.328 1.00 41.62 C ATOM 433 NE ARG A 559 7.538 -5.985 40.770 1.00 43.96 N ATOM 434 CZ ARG A 559 7.610 -5.216 39.687 1.00 53.65 C ATOM 435 NH1 ARG A 559 8.757 -5.085 39.032 1.00 40.24 N ATOM 436 NH2 ARG A 559 6.537 -4.569 39.254 1.00 37.40 N ATOM 437 HE ARG A 559 6.620 -6.055 41.254 1.00 0.00 H ATOM 438 HH12 ARG A 559 8.807 -4.482 38.186 1.00 0.00 H ATOM 439 HH11 ARG A 559 9.606 -5.585 39.365 1.00 0.00 H ATOM 440 HH22 ARG A 559 6.598 -3.969 38.407 1.00 0.00 H ATOM 441 HH21 ARG A 559 5.634 -4.661 39.762 1.00 0.00 H ATOM 442 H ARG A 559 11.726 -10.588 42.007 1.00 0.00 H ATOM 443 N LEU A 560 9.634 -10.058 38.166 1.00 34.12 N ATOM 444 CA LEU A 560 9.860 -9.759 36.756 1.00 33.45 C ATOM 445 C LEU A 560 9.761 -8.239 36.633 1.00 37.92 C ATOM 446 O LEU A 560 8.721 -7.656 36.953 1.00 37.56 O ATOM 447 CB LEU A 560 8.828 -10.475 35.855 1.00 32.83 C ATOM 448 CG LEU A 560 9.009 -10.321 34.334 1.00 37.09 C ATOM 449 CD1 LEU A 560 10.107 -11.232 33.800 1.00 37.15 C ATOM 450 CD2 LEU A 560 7.720 -10.617 33.607 1.00 39.02 C ATOM 451 H LEU A 560 8.676 -10.329 38.467 1.00 0.00 H ATOM 452 N ASN A 561 10.870 -7.598 36.247 1.00 35.28 N ATOM 453 CA ASN A 561 10.958 -6.143 36.138 1.00 35.92 C ATOM 454 C ASN A 561 10.894 -5.654 34.697 1.00 40.29 C ATOM 455 O ASN A 561 11.161 -6.418 33.767 1.00 39.43 O ATOM 456 CB ASN A 561 12.224 -5.626 36.833 1.00 36.76 C ATOM 457 CG ASN A 561 12.329 -6.019 38.286 1.00 57.16 C ATOM 458 OD1 ASN A 561 11.586 -5.535 39.145 1.00 51.94 O ATOM 459 ND2 ASN A 561 13.261 -6.907 38.591 1.00 48.57 N ATOM 460 HD22 ASN A 561 13.872 -7.297 37.845 1.00 0.00 H ATOM 461 HD21 ASN A 561 13.383 -7.215 39.577 1.00 0.00 H ATOM 462 H ASN A 561 11.711 -8.163 36.013 1.00 0.00 H ATOM 463 N GLU A 562 10.531 -4.373 34.520 1.00 37.98 N ATOM 464 CA GLU A 562 10.442 -3.717 33.217 1.00 38.46 C ATOM 465 C GLU A 562 11.846 -3.468 32.667 1.00 43.39 C ATOM 466 O GLU A 562 12.714 -2.958 33.381 1.00 43.75 O ATOM 467 CB GLU A 562 9.642 -2.408 33.319 1.00 40.75 C ATOM 468 CG GLU A 562 8.152 -2.634 33.522 1.00 50.90 C ATOM 469 CD GLU A 562 7.297 -1.410 33.793 1.00 71.68 C ATOM 470 OE1 GLU A 562 7.650 -0.305 33.320 1.00 66.87 O ATOM 471 OE2 GLU A 562 6.255 -1.564 34.470 1.00 64.44 O ATOM 472 H GLU A 562 10.298 -3.812 35.364 1.00 0.00 H ATOM 473 N GLY A 563 12.055 -3.869 31.418 1.00 40.17 N ATOM 474 CA GLY A 563 13.335 -3.749 30.731 1.00 41.30 C ATOM 475 C GLY A 563 14.101 -5.054 30.640 1.00 44.66 C ATOM 476 O GLY A 563 15.126 -5.114 29.956 1.00 45.60 O ATOM 477 H GLY A 563 11.259 -4.293 30.900 1.00 0.00 H ATOM 478 N ASP A 564 13.609 -6.113 31.325 1.00 39.60 N ATOM 479 CA ASP A 564 14.231 -7.439 31.344 1.00 38.92 C ATOM 480 C ASP A 564 14.149 -8.129 29.984 1.00 42.37 C ATOM 481 O ASP A 564 13.061 -8.242 29.413 1.00 41.21 O ATOM 482 CB ASP A 564 13.620 -8.328 32.447 1.00 39.58 C ATOM 483 CG ASP A 564 13.959 -7.945 33.882 1.00 49.25 C ATOM 484 OD1 ASP A 564 14.591 -6.880 34.087 1.00 50.66 O ATOM 485 OD2 ASP A 564 13.567 -8.694 34.803 1.00 53.80 O ATOM 486 H ASP A 564 12.735 -5.977 31.872 1.00 0.00 H ATOM 487 N GLN A 565 15.309 -8.564 29.459 1.00 39.65 N ATOM 488 CA GLN A 565 15.413 -9.246 28.169 1.00 39.59 C ATOM 489 C GLN A 565 15.148 -10.740 28.352 1.00 41.55 C ATOM 490 O GLN A 565 15.906 -11.419 29.045 1.00 41.11 O ATOM 491 CB GLN A 565 16.785 -8.992 27.517 1.00 42.87 C ATOM 492 CG GLN A 565 16.878 -9.468 26.063 1.00 59.99 C ATOM 493 CD GLN A 565 18.163 -9.076 25.367 1.00 82.19 C ATOM 494 OE1 GLN A 565 18.773 -8.033 25.641 1.00 78.96 O ATOM 495 NE2 GLN A 565 18.574 -9.886 24.403 1.00 75.22 N ATOM 496 HE22 GLN A 565 18.044 -10.756 24.193 1.00 0.00 H ATOM 497 HE21 GLN A 565 19.427 -9.652 23.856 1.00 0.00 H ATOM 498 H GLN A 565 16.182 -8.406 30.002 1.00 0.00 H ATOM 499 N VAL A 566 14.065 -11.239 27.731 1.00 36.74 N ATOM 500 CA VAL A 566 13.655 -12.644 27.800 1.00 35.65 C ATOM 501 C VAL A 566 14.594 -13.507 26.941 1.00 40.17 C ATOM 502 O VAL A 566 14.789 -13.224 25.756 1.00 40.80 O ATOM 503 CB VAL A 566 12.155 -12.849 27.438 1.00 38.67 C ATOM 504 CG1 VAL A 566 11.719 -14.291 27.677 1.00 37.94 C ATOM 505 CG2 VAL A 566 11.257 -11.890 28.219 1.00 37.88 C ATOM 506 H VAL A 566 13.482 -10.588 27.167 1.00 0.00 H ATOM 507 N VAL A 567 15.184 -14.543 27.560 1.00 36.25 N ATOM 508 CA VAL A 567 16.111 -15.482 26.920 1.00 36.97 C ATOM 509 C VAL A 567 15.405 -16.828 26.686 1.00 39.71 C ATOM 510 O VAL A 567 15.456 -17.352 25.571 1.00 39.94 O ATOM 511 CB VAL A 567 17.447 -15.628 27.708 1.00 41.79 C ATOM 512 CG1 VAL A 567 18.434 -16.536 26.976 1.00 43.03 C ATOM 513 CG2 VAL A 567 18.082 -14.264 27.980 1.00 42.17 C ATOM 514 H VAL A 567 14.968 -14.690 28.567 1.00 0.00 H ATOM 515 N LEU A 568 14.738 -17.370 27.728 1.00 35.07 N ATOM 516 CA LEU A 568 14.005 -18.638 27.652 1.00 34.62 C ATOM 517 C LEU A 568 12.554 -18.511 28.128 1.00 37.17 C ATOM 518 O LEU A 568 12.274 -17.778 29.079 1.00 35.67 O ATOM 519 CB LEU A 568 14.698 -19.755 28.466 1.00 35.30 C ATOM 520 CG LEU A 568 16.160 -20.127 28.173 1.00 41.16 C ATOM 521 CD1 LEU A 568 16.639 -21.177 29.150 1.00 42.00 C ATOM 522 CD2 LEU A 568 16.342 -20.668 26.766 1.00 44.44 C ATOM 523 H LEU A 568 14.745 -16.860 28.634 1.00 0.00 H ATOM 524 N ILE A 569 11.642 -19.256 27.471 1.00 33.90 N ATOM 525 CA ILE A 569 10.218 -19.363 27.810 1.00 33.17 C ATOM 526 C ILE A 569 9.932 -20.861 27.961 1.00 38.22 C ATOM 527 O ILE A 569 9.925 -21.589 26.964 1.00 38.64 O ATOM 528 CB ILE A 569 9.277 -18.660 26.783 1.00 35.81 C ATOM 529 CG1 ILE A 569 9.502 -17.134 26.783 1.00 35.77 C ATOM 530 CG2 ILE A 569 7.799 -18.996 27.073 1.00 36.06 C ATOM 531 CD1 ILE A 569 9.037 -16.390 25.542 1.00 43.47 C ATOM 532 H ILE A 569 11.977 -19.803 26.652 1.00 0.00 H ATOM 533 N ASN A 570 9.747 -21.319 29.219 1.00 35.07 N ATOM 534 CA ASN A 570 9.511 -22.721 29.601 1.00 36.09 C ATOM 535 C ASN A 570 10.652 -23.649 29.129 1.00 41.74 C ATOM 536 O ASN A 570 10.418 -24.800 28.748 1.00 42.45 O ATOM 537 CB ASN A 570 8.119 -23.215 29.155 1.00 36.04 C ATOM 538 CG ASN A 570 6.978 -22.349 29.627 1.00 49.25 C ATOM 539 OD1 ASN A 570 6.793 -22.110 30.826 1.00 39.84 O ATOM 540 ND2 ASN A 570 6.183 -21.865 28.688 1.00 39.69 N ATOM 541 HD22 ASN A 570 6.366 -22.085 27.688 1.00 0.00 H ATOM 542 HD21 ASN A 570 5.375 -21.265 28.949 1.00 0.00 H ATOM 543 H ASN A 570 9.774 -20.618 29.986 1.00 0.00 H ATOM 544 N GLY A 571 11.873 -23.116 29.164 1.00 38.75 N ATOM 545 CA GLY A 571 13.090 -23.812 28.767 1.00 39.95 C ATOM 546 C GLY A 571 13.412 -23.794 27.284 1.00 44.60 C ATOM 547 O GLY A 571 14.398 -24.406 26.866 1.00 45.15 O ATOM 548 H GLY A 571 11.963 -22.135 29.498 1.00 0.00 H ATOM 549 N ARG A 572 12.593 -23.088 26.480 1.00 41.01 N ATOM 550 CA ARG A 572 12.756 -22.982 25.028 1.00 41.61 C ATOM 551 C ARG A 572 13.452 -21.673 24.633 1.00 45.62 C ATOM 552 O ARG A 572 13.081 -20.607 25.129 1.00 43.87 O ATOM 553 CB ARG A 572 11.384 -23.087 24.337 1.00 41.79 C ATOM 554 CG ARG A 572 11.445 -23.373 22.843 1.00 54.08 C ATOM 555 CD ARG A 572 10.197 -22.879 22.143 1.00 64.34 C ATOM 556 NE ARG A 572 9.669 -23.870 21.205 1.00 74.73 N ATOM 557 CZ ARG A 572 8.657 -24.691 21.469 1.00 88.79 C ATOM 558 NH1 ARG A 572 8.042 -24.644 22.645 1.00 73.43 N ATOM 559 NH2 ARG A 572 8.245 -25.560 20.555 1.00 77.84 N ATOM 560 HE ARG A 572 10.116 -23.937 20.268 1.00 0.00 H ATOM 561 HH12 ARG A 572 7.251 -25.289 22.844 1.00 0.00 H ATOM 562 HH11 ARG A 572 8.351 -23.962 23.367 1.00 0.00 H ATOM 563 HH22 ARG A 572 7.453 -26.200 20.766 1.00 0.00 H ATOM 564 HH21 ARG A 572 8.714 -25.601 19.628 1.00 0.00 H ATOM 565 H ARG A 572 11.794 -22.586 26.918 1.00 0.00 H ATOM 566 N ASP A 573 14.444 -21.759 23.723 1.00 44.07 N ATOM 567 CA ASP A 573 15.175 -20.597 23.209 1.00 44.37 C ATOM 568 C ASP A 573 14.307 -19.888 22.167 1.00 47.87 C ATOM 569 O ASP A 573 13.928 -20.492 21.160 1.00 48.46 O ATOM 570 CB ASP A 573 16.542 -21.011 22.632 1.00 48.21 C ATOM 571 CG ASP A 573 17.448 -19.842 22.296 1.00 60.52 C ATOM 572 OD1 ASP A 573 17.863 -19.122 23.232 1.00 65.98 O ATOM 573 OD2 ASP A 573 17.742 -19.647 21.098 1.00 62.89 O ATOM 574 H ASP A 573 14.704 -22.701 23.367 1.00 0.00 H ATOM 575 N ILE A 574 13.962 -18.620 22.437 1.00 43.29 N ATOM 576 CA ILE A 574 13.077 -17.811 21.590 1.00 42.91 C ATOM 577 C ILE A 574 13.825 -16.745 20.750 1.00 47.90 C ATOM 578 O ILE A 574 13.201 -15.785 20.283 1.00 47.70 O ATOM 579 CB ILE A 574 11.920 -17.194 22.438 1.00 44.36 C ATOM 580 CG1 ILE A 574 12.424 -16.537 23.749 1.00 44.01 C ATOM 581 CG2 ILE A 574 10.844 -18.239 22.729 1.00 44.39 C ATOM 582 CD1 ILE A 574 12.723 -15.055 23.670 1.00 50.59 C ATOM 583 H ILE A 574 14.345 -18.183 23.300 1.00 0.00 H ATOM 584 N ALA A 575 15.140 -16.939 20.527 1.00 45.52 N ATOM 585 CA ALA A 575 15.988 -16.024 19.754 1.00 46.98 C ATOM 586 C ALA A 575 15.599 -15.924 18.273 1.00 52.02 C ATOM 587 O ALA A 575 15.735 -14.851 17.683 1.00 52.82 O ATOM 588 CB ALA A 575 17.449 -16.427 19.886 1.00 49.12 C ATOM 589 H ALA A 575 15.582 -17.791 20.928 1.00 0.00 H ATOM 590 N GLU A 576 15.118 -17.036 17.680 1.00 48.47 N ATOM 591 CA GLU A 576 14.713 -17.108 16.272 1.00 49.62 C ATOM 592 C GLU A 576 13.184 -17.133 16.070 1.00 51.71 C ATOM 593 O GLU A 576 12.720 -17.294 14.937 1.00 52.59 O ATOM 594 CB GLU A 576 15.389 -18.309 15.586 1.00 52.71 C ATOM 595 H GLU A 576 15.029 -17.896 18.257 1.00 0.00 H ATOM 596 N HIS A 577 12.428 -16.878 17.131 1.00 45.58 N ATOM 597 CA HIS A 577 10.976 -16.848 17.073 1.00 44.10 C ATOM 598 C HIS A 577 10.336 -15.485 16.962 1.00 46.24 C ATOM 599 O HIS A 577 10.805 -14.531 17.495 1.00 45.21 O ATOM 600 CB HIS A 577 10.392 -17.555 18.266 1.00 43.26 C ATOM 601 CG HIS A 577 10.540 -19.030 18.218 1.00 47.24 C ATOM 602 ND1 HIS A 577 11.444 -19.707 18.993 1.00 49.82 N ATOM 603 CD2 HIS A 577 9.888 -19.963 17.504 1.00 49.04 C ATOM 604 CE1 HIS A 577 11.354 -20.994 18.748 1.00 49.75 C ATOM 605 NE2 HIS A 577 10.418 -21.175 17.845 1.00 49.67 N ATOM 606 H HIS A 577 12.894 -16.692 18.042 1.00 0.00 H ATOM 607 N THR A 578 9.228 -15.435 16.254 1.00 42.50 N ATOM 608 CA THR A 578 8.498 -14.178 16.037 1.00 42.26 C ATOM 609 C THR A 578 7.734 -13.745 17.299 1.00 43.76 C ATOM 610 O THR A 578 7.617 -14.527 18.246 1.00 41.80 O ATOM 611 CB THR A 578 7.556 -14.283 14.817 1.00 50.73 C ATOM 612 OG1 THR A 578 6.500 -15.200 15.103 1.00 48.59 O ATOM 613 CG2 THR A 578 8.282 -14.674 13.528 1.00 51.36 C ATOM 614 HG1 THR A 578 5.899 -15.264 14.319 1.00 0.00 H ATOM 615 H THR A 578 8.857 -16.312 15.835 1.00 0.00 H ATOM 616 N HIS A 579 7.204 -12.504 17.297 1.00 40.31 N ATOM 617 CA HIS A 579 6.430 -11.923 18.397 1.00 38.52 C ATOM 618 C HIS A 579 5.199 -12.774 18.731 1.00 41.06 C ATOM 619 O HIS A 579 4.981 -13.081 19.902 1.00 39.18 O ATOM 620 CB HIS A 579 6.022 -10.475 18.069 1.00 40.17 C ATOM 621 CG HIS A 579 5.346 -9.767 19.202 1.00 42.36 C ATOM 622 ND1 HIS A 579 6.070 -9.061 20.144 1.00 43.63 N ATOM 623 CD2 HIS A 579 4.032 -9.691 19.514 1.00 43.50 C ATOM 624 CE1 HIS A 579 5.178 -8.573 20.990 1.00 42.21 C ATOM 625 NE2 HIS A 579 3.938 -8.926 20.650 1.00 42.50 N ATOM 626 H HIS A 579 7.356 -11.917 16.452 1.00 0.00 H ATOM 627 N ASP A 580 4.418 -13.168 17.701 1.00 38.65 N ATOM 628 CA ASP A 580 3.210 -13.985 17.844 1.00 38.05 C ATOM 629 C ASP A 580 3.489 -15.371 18.426 1.00 41.11 C ATOM 630 O ASP A 580 2.696 -15.852 19.238 1.00 40.19 O ATOM 631 CB ASP A 580 2.445 -14.080 16.513 1.00 41.37 C ATOM 632 CG ASP A 580 1.832 -12.770 16.042 1.00 51.68 C ATOM 633 OD1 ASP A 580 1.401 -11.967 16.903 1.00 50.75 O ATOM 634 OD2 ASP A 580 1.741 -12.567 14.812 1.00 59.65 O ATOM 635 H ASP A 580 4.693 -12.872 16.743 1.00 0.00 H ATOM 636 N GLN A 581 4.621 -15.995 18.035 1.00 37.50 N ATOM 637 CA GLN A 581 5.044 -17.307 18.537 1.00 36.68 C ATOM 638 C GLN A 581 5.416 -17.200 20.020 1.00 38.47 C ATOM 639 O GLN A 581 4.926 -17.995 20.822 1.00 37.42 O ATOM 640 CB GLN A 581 6.212 -17.875 17.709 1.00 39.12 C ATOM 641 CG GLN A 581 5.816 -18.285 16.289 1.00 53.19 C ATOM 642 CD GLN A 581 6.981 -18.745 15.441 1.00 72.72 C ATOM 643 OE1 GLN A 581 8.096 -18.211 15.503 1.00 67.40 O ATOM 644 NE2 GLN A 581 6.730 -19.723 14.586 1.00 67.23 N ATOM 645 HE22 GLN A 581 5.785 -20.155 14.553 1.00 0.00 H ATOM 646 HE21 GLN A 581 7.478 -20.059 13.947 1.00 0.00 H ATOM 647 H GLN A 581 5.228 -15.518 17.338 1.00 0.00 H ATOM 648 N VAL A 582 6.229 -16.175 20.379 1.00 34.29 N ATOM 649 CA VAL A 582 6.675 -15.848 21.742 1.00 32.87 C ATOM 650 C VAL A 582 5.459 -15.706 22.681 1.00 35.33 C ATOM 651 O VAL A 582 5.439 -16.326 23.747 1.00 34.24 O ATOM 652 CB VAL A 582 7.605 -14.593 21.733 1.00 36.98 C ATOM 653 CG1 VAL A 582 7.660 -13.893 23.091 1.00 35.73 C ATOM 654 CG2 VAL A 582 9.010 -14.955 21.260 1.00 37.75 C ATOM 655 H VAL A 582 6.571 -15.559 19.614 1.00 0.00 H ATOM 656 N VAL A 583 4.436 -14.936 22.245 1.00 31.57 N ATOM 657 CA VAL A 583 3.178 -14.699 22.963 1.00 30.83 C ATOM 658 C VAL A 583 2.429 -16.028 23.180 1.00 34.85 C ATOM 659 O VAL A 583 1.994 -16.306 24.301 1.00 33.74 O ATOM 660 CB VAL A 583 2.315 -13.617 22.241 1.00 35.25 C ATOM 661 CG1 VAL A 583 0.872 -13.596 22.745 1.00 35.00 C ATOM 662 CG2 VAL A 583 2.944 -12.234 22.374 1.00 34.96 C ATOM 663 H VAL A 583 4.551 -14.472 21.321 1.00 0.00 H ATOM 664 N LEU A 584 2.322 -16.855 22.119 1.00 32.58 N ATOM 665 CA LEU A 584 1.642 -18.152 22.170 1.00 33.11 C ATOM 666 C LEU A 584 2.381 -19.197 23.015 1.00 37.09 C ATOM 667 O LEU A 584 1.726 -20.081 23.569 1.00 37.18 O ATOM 668 CB LEU A 584 1.331 -18.688 20.762 1.00 34.45 C ATOM 669 CG LEU A 584 0.204 -17.970 20.006 1.00 39.82 C ATOM 670 CD1 LEU A 584 0.258 -18.279 18.528 1.00 41.22 C ATOM 671 CD2 LEU A 584 -1.169 -18.308 20.581 1.00 42.81 C ATOM 672 H LEU A 584 2.745 -16.556 21.217 1.00 0.00 H ATOM 673 N PHE A 585 3.724 -19.085 23.143 1.00 33.55 N ATOM 674 CA PHE A 585 4.522 -19.994 23.975 1.00 33.58 C ATOM 675 C PHE A 585 4.239 -19.736 25.458 1.00 36.77 C ATOM 676 O PHE A 585 4.099 -20.690 26.223 1.00 37.01 O ATOM 677 CB PHE A 585 6.032 -19.883 23.675 1.00 35.48 C ATOM 678 CG PHE A 585 6.488 -20.295 22.290 1.00 38.22 C ATOM 679 CD1 PHE A 585 5.861 -21.335 21.610 1.00 42.55 C ATOM 680 CD2 PHE A 585 7.574 -19.674 21.686 1.00 40.86 C ATOM 681 CE1 PHE A 585 6.287 -21.716 20.333 1.00 44.76 C ATOM 682 CE2 PHE A 585 8.003 -20.060 20.411 1.00 45.08 C ATOM 683 CZ PHE A 585 7.358 -21.079 19.744 1.00 44.12 C ATOM 684 H PHE A 585 4.211 -18.323 22.630 1.00 0.00 H ATOM 685 N ILE A 586 4.115 -18.446 25.847 1.00 32.49 N ATOM 686 CA ILE A 586 3.784 -18.007 27.212 1.00 32.02 C ATOM 687 C ILE A 586 2.345 -18.456 27.543 1.00 36.68 C ATOM 688 O ILE A 586 2.072 -18.876 28.669 1.00 36.70 O ATOM 689 CB ILE A 586 4.001 -16.465 27.377 1.00 34.38 C ATOM 690 CG1 ILE A 586 5.489 -16.090 27.170 1.00 34.39 C ATOM 691 CG2 ILE A 586 3.497 -15.954 28.744 1.00 34.85 C ATOM 692 CD1 ILE A 586 5.773 -14.669 26.698 1.00 39.79 C ATOM 693 H ILE A 586 4.265 -17.710 25.128 1.00 0.00 H ATOM 694 N LYS A 587 1.453 -18.419 26.535 1.00 33.83 N ATOM 695 CA LYS A 587 0.051 -18.828 26.639 1.00 34.57 C ATOM 696 C LYS A 587 -0.153 -20.357 26.692 1.00 39.57 C ATOM 697 O LYS A 587 -1.281 -20.808 26.893 1.00 40.28 O ATOM 698 CB LYS A 587 -0.778 -18.196 25.508 1.00 37.45 C ATOM 699 CG LYS A 587 -1.106 -16.726 25.739 1.00 48.36 C ATOM 700 CD LYS A 587 -1.758 -16.093 24.516 1.00 57.37 C ATOM 701 CE LYS A 587 -2.198 -14.669 24.762 1.00 66.25 C ATOM 702 NZ LYS A 587 -3.449 -14.599 25.563 1.00 75.62 N ATOM 703 HZ1 LYS A 587 -4.212 -15.091 25.056 1.00 0.00 H ATOM 704 HZ2 LYS A 587 -3.295 -15.054 26.485 1.00 0.00 H ATOM 705 HZ3 LYS A 587 -3.712 -13.603 25.706 1.00 0.00 H ATOM 706 H LYS A 587 1.785 -18.074 25.612 1.00 0.00 H ATOM 707 N ALA A 588 0.930 -21.147 26.532 1.00 36.24 N ATOM 708 CA ALA A 588 0.891 -22.615 26.558 1.00 37.45 C ATOM 709 C ALA A 588 1.292 -23.218 27.919 1.00 41.99 C ATOM 710 O ALA A 588 1.166 -24.429 28.112 1.00 43.14 O ATOM 711 CB ALA A 588 1.772 -23.177 25.452 1.00 38.38 C ATOM 712 H ALA A 588 1.850 -20.687 26.381 1.00 0.00 H ATOM 713 N SER A 589 1.751 -22.372 28.861 1.00 37.77 N ATOM 714 CA SER A 589 2.201 -22.772 30.201 1.00 38.05 C ATOM 715 C SER A 589 1.098 -22.659 31.274 1.00 42.17 C ATOM 716 O SER A 589 1.400 -22.530 32.463 1.00 42.59 O ATOM 717 CB SER A 589 3.410 -21.932 30.603 1.00 40.20 C ATOM 718 OG SER A 589 3.107 -20.548 30.562 1.00 46.55 O ATOM 719 HG SER A 589 2.838 -20.297 29.643 1.00 0.00 H ATOM 720 H SER A 589 1.790 -21.361 28.622 1.00 0.00 H ATOM 721 N CYS A 590 -0.173 -22.739 30.854 1.00 38.20 N ATOM 722 CA CYS A 590 -1.330 -22.574 31.733 1.00 49.91 C ATOM 723 C CYS A 590 -2.252 -23.803 31.718 1.00 81.47 C ATOM 724 O CYS A 590 -3.473 -23.693 31.611 1.00 49.73 O ATOM 725 CB CYS A 590 -2.072 -21.287 31.376 1.00 48.91 C ATOM 726 SG CYS A 590 -1.165 -20.208 30.233 1.00 50.36 S ATOM 727 H CYS A 590 -0.346 -22.929 29.846 1.00 0.00 H TER 728 CYS A 590 ATOM 729 N GLY A 595 1.361 -26.461 35.746 1.00 50.63 N ATOM 730 CA GLY A 595 0.662 -25.252 35.331 1.00 48.77 C ATOM 731 C GLY A 595 1.333 -23.982 35.812 1.00 50.62 C ATOM 732 O GLY A 595 0.767 -23.254 36.633 1.00 50.36 O ATOM 733 HN3 GLY A 595 1.399 -26.499 36.785 1.00 0.00 H ATOM 734 HN2 GLY A 595 2.328 -26.450 35.362 1.00 0.00 H ATOM 735 HN1 GLY A 595 0.853 -27.294 35.386 1.00 0.00 H ATOM 736 N GLU A 596 2.553 -23.716 35.311 1.00 45.42 N ATOM 737 CA GLU A 596 3.343 -22.532 35.659 1.00 43.52 C ATOM 738 C GLU A 596 4.192 -22.050 34.476 1.00 45.33 C ATOM 739 O GLU A 596 4.529 -22.845 33.595 1.00 45.36 O ATOM 740 CB GLU A 596 4.210 -22.788 36.917 1.00 45.84 C ATOM 741 CG GLU A 596 5.553 -23.458 36.657 1.00 57.39 C ATOM 742 CD GLU A 596 6.203 -24.158 37.834 1.00 81.81 C ATOM 743 OE1 GLU A 596 6.401 -23.509 38.887 1.00 76.27 O ATOM 744 OE2 GLU A 596 6.557 -25.349 37.685 1.00 78.64 O ATOM 745 H GLU A 596 2.961 -24.393 34.635 1.00 0.00 H ATOM 746 N LEU A 597 4.546 -20.756 34.474 1.00 39.96 N ATOM 747 CA LEU A 597 5.384 -20.156 33.440 1.00 38.28 C ATOM 748 C LEU A 597 6.811 -19.985 33.946 1.00 41.81 C ATOM 749 O LEU A 597 7.028 -19.413 35.017 1.00 40.90 O ATOM 750 CB LEU A 597 4.802 -18.808 32.967 1.00 37.16 C ATOM 751 CG LEU A 597 5.690 -17.896 32.103 1.00 40.71 C ATOM 752 CD1 LEU A 597 5.787 -18.398 30.666 1.00 40.88 C ATOM 753 CD2 LEU A 597 5.181 -16.475 32.128 1.00 42.34 C ATOM 754 H LEU A 597 4.206 -20.150 35.248 1.00 0.00 H ATOM 755 N MET A 598 7.777 -20.476 33.160 1.00 38.93 N ATOM 756 CA MET A 598 9.198 -20.360 33.455 1.00 39.05 C ATOM 757 C MET A 598 9.795 -19.324 32.511 1.00 40.89 C ATOM 758 O MET A 598 9.588 -19.396 31.296 1.00 39.99 O ATOM 759 CB MET A 598 9.904 -21.720 33.301 1.00 43.00 C ATOM 760 CG MET A 598 11.343 -21.720 33.790 1.00 47.72 C ATOM 761 SD MET A 598 12.515 -22.341 32.555 1.00 53.17 S ATOM 762 CE MET A 598 12.836 -20.852 31.626 1.00 48.42 C ATOM 763 H MET A 598 7.496 -20.969 32.288 1.00 0.00 H ATOM 764 N LEU A 599 10.541 -18.366 33.074 1.00 36.76 N ATOM 765 CA LEU A 599 11.208 -17.321 32.308 1.00 35.84 C ATOM 766 C LEU A 599 12.647 -17.145 32.760 1.00 39.51 C ATOM 767 O LEU A 599 12.910 -17.048 33.960 1.00 39.66 O ATOM 768 CB LEU A 599 10.478 -15.967 32.443 1.00 35.25 C ATOM 769 CG LEU A 599 9.112 -15.789 31.775 1.00 39.69 C ATOM 770 CD1 LEU A 599 8.447 -14.517 32.266 1.00 39.48 C ATOM 771 CD2 LEU A 599 9.232 -15.735 30.260 1.00 42.09 C ATOM 772 H LEU A 599 10.650 -18.367 34.108 1.00 0.00 H ATOM 773 N LEU A 600 13.576 -17.086 31.801 1.00 35.51 N ATOM 774 CA LEU A 600 14.974 -16.788 32.079 1.00 35.61 C ATOM 775 C LEU A 600 15.218 -15.425 31.450 1.00 39.02 C ATOM 776 O LEU A 600 15.109 -15.283 30.232 1.00 38.21 O ATOM 777 CB LEU A 600 15.945 -17.853 31.534 1.00 36.53 C ATOM 778 CG LEU A 600 17.425 -17.620 31.871 1.00 41.89 C ATOM 779 CD1 LEU A 600 17.718 -17.894 33.343 1.00 42.26 C ATOM 780 CD2 LEU A 600 18.324 -18.441 30.981 1.00 45.17 C ATOM 781 H LEU A 600 13.289 -17.260 30.817 1.00 0.00 H ATOM 782 N VAL A 601 15.460 -14.409 32.291 1.00 36.05 N ATOM 783 CA VAL A 601 15.636 -13.028 31.834 1.00 36.29 C ATOM 784 C VAL A 601 16.996 -12.425 32.221 1.00 42.32 C ATOM 785 O VAL A 601 17.684 -12.944 33.103 1.00 42.35 O ATOM 786 CB VAL A 601 14.462 -12.098 32.271 1.00 39.19 C ATOM 787 CG1 VAL A 601 13.132 -12.531 31.654 1.00 38.04 C ATOM 788 CG2 VAL A 601 14.356 -11.986 33.791 1.00 38.88 C ATOM 789 H VAL A 601 15.525 -14.609 33.309 1.00 0.00 H ATOM 790 N ARG A 602 17.357 -11.312 31.555 1.00 40.28 N ATOM 791 CA ARG A 602 18.564 -10.532 31.810 1.00 41.90 C ATOM 792 C ARG A 602 18.112 -9.167 32.368 1.00 46.23 C ATOM 793 O ARG A 602 17.472 -8.404 31.640 1.00 45.67 O ATOM 794 CB ARG A 602 19.412 -10.384 30.524 1.00 43.89 C ATOM 795 CG ARG A 602 20.644 -9.479 30.654 1.00 57.15 C ATOM 796 CD ARG A 602 21.792 -10.123 31.414 1.00 70.10 C ATOM 797 NE ARG A 602 22.688 -9.116 31.983 1.00 81.97 N ATOM 798 CZ ARG A 602 23.887 -8.812 31.496 1.00 98.84 C ATOM 799 NH1 ARG A 602 24.361 -9.449 30.432 1.00 87.55 N ATOM 800 NH2 ARG A 602 24.627 -7.876 32.076 1.00 87.51 N ATOM 801 HE ARG A 602 22.364 -8.602 32.827 1.00 0.00 H ATOM 802 HH12 ARG A 602 25.300 -9.206 30.056 1.00 0.00 H ATOM 803 HH11 ARG A 602 23.794 -10.191 29.974 1.00 0.00 H ATOM 804 HH22 ARG A 602 25.564 -7.642 31.691 1.00 0.00 H ATOM 805 HH21 ARG A 602 24.270 -7.377 32.915 1.00 0.00 H ATOM 806 H ARG A 602 16.725 -10.981 30.798 1.00 0.00 H ATOM 807 N PRO A 603 18.392 -8.860 33.659 1.00 43.68 N ATOM 808 CA PRO A 603 17.923 -7.584 34.236 1.00 43.86 C ATOM 809 C PRO A 603 18.545 -6.329 33.626 1.00 49.96 C ATOM 810 O PRO A 603 19.745 -6.302 33.354 1.00 51.30 O ATOM 811 CB PRO A 603 18.248 -7.724 35.730 1.00 45.84 C ATOM 812 CG PRO A 603 18.490 -9.191 35.949 1.00 49.80 C ATOM 813 CD PRO A 603 19.098 -9.666 34.672 1.00 45.64 C ATOM 814 N ASN A 604 17.708 -5.293 33.402 1.00 46.67 N ATOM 815 CA ASN A 604 18.099 -4.004 32.826 1.00 78.81 C ATOM 816 C ASN A 604 17.207 -2.875 33.372 1.00106.09 C ATOM 817 O ASN A 604 16.775 -1.978 32.645 1.00 67.86 O ATOM 818 CB ASN A 604 18.069 -4.066 31.292 1.00 80.24 C ATOM 819 H ASN A 604 16.708 -5.420 33.658 1.00 0.00 H TER 820 ASN A 604 HETATM 821 O HOH 1 5.618 -22.941 26.153 1.00 32.08 O HETATM 822 O HOH 2 -2.476 -10.978 35.546 1.00 51.97 O HETATM 823 O HOH 3 1.015 -22.335 22.211 1.00 27.10 O HETATM 824 O HOH 4 14.117 -10.064 37.099 1.00 42.50 O HETATM 825 O HOH 5 17.949 -19.953 18.389 1.00 56.10 O HETATM 826 O HOH 6 0.912 -5.334 31.889 1.00 44.40 O HETATM 827 O HOH 7 3.521 -14.698 41.529 1.00 40.60 O HETATM 828 O HOH 8 -5.356 -15.447 29.003 1.00 42.40 O HETATM 829 O HOH 9 -4.020 -4.712 41.157 1.00 31.50 O HETATM 830 O HOH 10 5.967 -6.369 44.178 1.00 40.29 O HETATM 831 O HOH 11 7.003 -24.283 32.956 1.00 34.81 O HETATM 832 O HOH 12 16.782 -15.764 23.486 1.00 56.78 O HETATM 833 O HOH 13 -6.647 -14.213 26.058 1.00 68.11 O HETATM 834 O HOH 14 4.244 -14.400 13.247 1.00 44.22 O HETATM 835 O HOH 15 9.422 -25.152 32.035 1.00 43.16 O HETATM 836 O HOH 16 9.511 -2.268 37.140 1.00 47.97 O HETATM 837 O HOH 17 -2.133 -8.887 31.139 1.00 38.56 O HETATM 838 N SER A 18 6.462 -1.283 16.132 1.00 0.24 N HETATM 839 CA SER A 18 6.869 -1.910 17.386 1.00 0.09 C HETATM 840 C SER A 18 5.654 -2.512 18.113 1.00 0.23 C HETATM 841 O SER A 18 4.933 -1.805 18.823 1.00 -0.39 O HETATM 842 N SER A 18 5.423 -3.822 17.906 1.00 -0.26 N HETATM 843 CA SER A 18 4.300 -4.558 18.489 1.00 0.13 C HETATM 844 C SER A 18 4.468 -4.825 19.985 1.00 0.20 C HETATM 845 O SER A 18 5.553 -5.202 20.433 1.00 -0.39 O HETATM 846 N SER A 18 3.377 -4.634 20.747 1.00 -0.26 N HETATM 847 CA SER A 18 3.303 -4.867 22.191 1.00 0.13 C HETATM 848 C SER A 18 2.047 -5.691 22.484 1.00 0.20 C HETATM 849 O SER A 18 0.985 -5.400 21.927 1.00 -0.39 O HETATM 850 N SER A 18 2.170 -6.735 23.328 1.00 -0.26 N HETATM 851 CA SER A 18 1.054 -7.631 23.653 1.00 0.16 C HETATM 852 C SER A 18 0.967 -7.951 25.160 1.00 0.21 C HETATM 853 O SER A 18 1.955 -8.418 25.732 1.00 -0.39 O HETATM 854 N SER A 18 -0.210 -7.758 25.811 1.00 -0.25 N HETATM 855 CA SER A 18 -0.321 -8.121 27.235 1.00 0.13 C HETATM 856 C SER A 18 -0.527 -9.624 27.430 1.00 0.20 C HETATM 857 O SER A 18 -1.159 -10.278 26.597 1.00 -0.39 O HETATM 858 N SER A 18 0.022 -10.173 28.525 1.00 -0.27 N HETATM 859 CA SER A 18 -0.058 -11.600 28.853 1.00 0.09 C HETATM 860 C SER A 18 -0.442 -11.855 30.310 1.00 0.06 C HETATM 861 O SER A 18 -0.330 -10.926 31.138 1.00 -0.57 O HETATM 862 OXT SER A 18 -0.838 -12.997 30.625 1.00 -0.57 O HETATM 863 CB SER A 18 1.270 -12.302 28.527 1.00 -0.02 C HETATM 864 CG SER A 18 1.592 -12.465 27.050 1.00 -0.04 C HETATM 865 CD1 SER A 18 3.027 -12.143 26.782 1.00 -0.06 C HETATM 866 H46 SER A 18 3.237 -12.268 25.709 1.00 0.02 H HETATM 867 H47 SER A 18 3.670 -12.821 27.362 1.00 0.02 H HETATM 868 H48 SER A 18 3.231 -11.103 27.077 1.00 0.02 H HETATM 869 CD2 SER A 18 1.243 -13.852 26.560 1.00 -0.06 C HETATM 870 H49 SER A 18 0.183 -14.059 26.771 1.00 0.02 H HETATM 871 H50 SER A 18 1.871 -14.592 27.077 1.00 0.02 H HETATM 872 H51 SER A 18 1.420 -13.913 25.476 1.00 0.02 H HETATM 873 H45 SER A 18 0.975 -11.747 26.490 1.00 0.03 H HETATM 874 H43 SER A 18 1.240 -13.305 28.978 1.00 0.03 H HETATM 875 H44 SER A 18 2.081 -11.718 28.986 1.00 0.03 H HETATM 876 H42 SER A 18 -0.842 -12.042 28.220 1.00 0.07 H HETATM 877 H41 SER A 18 0.515 -9.573 29.155 1.00 0.19 H HETATM 878 CB SER A 18 -1.520 -7.305 27.722 1.00 -0.01 C HETATM 879 CG SER A 18 -2.353 -7.079 26.512 1.00 -0.03 C HETATM 880 CD SER A 18 -1.488 -7.229 25.286 1.00 0.04 C HETATM 881 H39 SER A 18 -1.940 -7.934 24.573 1.00 0.05 H HETATM 882 H40 SER A 18 -1.336 -6.257 24.794 1.00 0.05 H HETATM 883 H37 SER A 18 -2.779 -6.065 26.541 1.00 0.03 H HETATM 884 H38 SER A 18 -3.167 -7.818 26.482 1.00 0.03 H HETATM 885 H35 SER A 18 -1.188 -6.346 28.146 1.00 0.03 H HETATM 886 H36 SER A 18 -2.086 -7.865 28.481 1.00 0.03 H HETATM 887 H34 SER A 18 0.588 -7.820 27.776 1.00 0.08 H HETATM 888 CB SER A 18 1.129 -8.911 22.782 1.00 0.09 C HETATM 889 OG1 SER A 18 1.247 -8.554 21.403 1.00 -0.39 O HETATM 890 H30 SER A 18 2.037 -8.041 21.276 1.00 0.21 H HETATM 891 CG2 SER A 18 -0.071 -9.839 22.969 1.00 -0.03 C HETATM 892 H31 SER A 18 0.045 -10.723 22.325 1.00 0.03 H HETATM 893 H32 SER A 18 -0.993 -9.305 22.696 1.00 0.03 H HETATM 894 H33 SER A 18 -0.129 -10.156 24.021 1.00 0.03 H HETATM 895 H29 SER A 18 2.032 -9.465 23.077 1.00 0.06 H HETATM 896 H28 SER A 18 0.125 -7.106 23.385 1.00 0.08 H HETATM 897 H27 SER A 18 3.060 -6.906 23.751 1.00 0.19 H HETATM 898 CB SER A 18 3.282 -3.538 22.961 1.00 -0.00 C HETATM 899 CG SER A 18 3.750 -3.664 24.401 1.00 0.00 C HETATM 900 CD SER A 18 3.719 -2.385 25.216 1.00 0.04 C HETATM 901 OE1 SER A 18 4.291 -1.368 24.761 1.00 -0.57 O HETATM 902 OE2 SER A 18 3.162 -2.415 26.337 1.00 -0.57 O HETATM 903 H25 SER A 18 4.787 -4.032 24.389 1.00 0.04 H HETATM 904 H26 SER A 18 3.105 -4.401 24.903 1.00 0.04 H HETATM 905 H23 SER A 18 2.252 -3.153 22.962 1.00 0.03 H HETATM 906 H24 SER A 18 3.940 -2.825 22.442 1.00 0.03 H HETATM 907 H22 SER A 18 4.188 -5.439 22.507 1.00 0.08 H HETATM 908 H21 SER A 18 2.549 -4.306 20.291 1.00 0.19 H HETATM 909 CB SER A 18 4.057 -5.874 17.733 1.00 -0.01 C HETATM 910 CG SER A 18 2.597 -6.101 17.366 1.00 -0.04 C HETATM 911 CD SER A 18 2.274 -7.584 17.224 1.00 -0.01 C HETATM 912 CE SER A 18 1.673 -7.942 15.887 1.00 -0.04 C HETATM 913 NZ SER A 18 2.698 -7.997 14.809 1.00 0.22 N HETATM 914 H18 SER A 18 2.255 -8.239 13.936 1.00 0.20 H HETATM 915 H19 SER A 18 3.390 -8.693 15.039 1.00 0.20 H HETATM 916 H20 SER A 18 3.143 -7.097 14.722 1.00 0.20 H HETATM 917 H16 SER A 18 0.920 -7.185 15.622 1.00 0.08 H HETATM 918 H17 SER A 18 1.190 -8.927 15.968 1.00 0.08 H HETATM 919 H14 SER A 18 1.560 -7.862 18.013 1.00 0.03 H HETATM 920 H15 SER A 18 3.204 -8.157 17.353 1.00 0.03 H HETATM 921 H12 SER A 18 2.387 -5.598 16.411 1.00 0.03 H HETATM 922 H13 SER A 18 1.961 -5.672 18.154 1.00 0.03 H HETATM 923 H10 SER A 18 4.390 -6.708 18.369 1.00 0.03 H HETATM 924 H11 SER A 18 4.651 -5.859 16.807 1.00 0.03 H HETATM 925 H9 SER A 18 3.404 -3.932 18.368 1.00 0.08 H HETATM 926 H8 SER A 18 6.058 -4.323 17.318 1.00 0.19 H HETATM 927 CB SER A 18 7.614 -0.909 18.267 1.00 0.10 C HETATM 928 OG SER A 18 8.170 -1.534 19.412 1.00 -0.39 O HETATM 929 H7 SER A 18 8.625 -0.885 19.936 1.00 0.21 H HETATM 930 H5 SER A 18 6.911 -0.128 18.593 1.00 0.06 H HETATM 931 H6 SER A 18 8.425 -0.452 17.681 1.00 0.06 H HETATM 932 H4 SER A 18 7.561 -2.732 17.148 1.00 0.11 H HETATM 933 H1 SER A 18 7.271 -0.895 15.672 1.00 0.20 H HETATM 934 H2 SER A 18 5.800 -0.547 16.323 1.00 0.20 H HETATM 935 H3 SER A 18 6.034 -1.973 15.535 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 729 730 733 734 735 CONECT 733 729 CONECT 734 729 CONECT 735 729 CONECT 838 839 933 934 935 CONECT 839 838 840 927 932 CONECT 840 839 841 842 CONECT 841 840 CONECT 842 840 843 926 CONECT 843 842 844 909 925 CONECT 844 843 845 846 CONECT 845 844 CONECT 846 844 847 908 CONECT 847 846 848 898 907 CONECT 848 847 849 850 CONECT 849 848 CONECT 850 848 851 897 CONECT 851 850 852 888 896 CONECT 852 851 853 854 CONECT 853 852 CONECT 854 852 855 880 CONECT 855 854 856 878 887 CONECT 856 855 857 858 CONECT 857 856 CONECT 858 856 859 877 CONECT 859 858 860 863 876 CONECT 860 859 861 862 CONECT 861 860 CONECT 862 860 CONECT 863 859 864 874 875 CONECT 864 863 865 869 873 CONECT 865 864 866 867 868 CONECT 866 865 CONECT 867 865 CONECT 868 865 CONECT 869 864 870 871 872 CONECT 870 869 CONECT 871 869 CONECT 872 869 CONECT 873 864 CONECT 874 863 CONECT 875 863 CONECT 876 859 CONECT 877 858 CONECT 878 855 879 885 886 CONECT 879 878 880 883 884 CONECT 880 854 879 881 882 CONECT 881 880 CONECT 882 880 CONECT 883 879 CONECT 884 879 CONECT 885 878 CONECT 886 878 CONECT 887 855 CONECT 888 851 889 891 895 CONECT 889 888 890 CONECT 890 889 CONECT 891 888 892 893 894 CONECT 892 891 CONECT 893 891 CONECT 894 891 CONECT 895 888 CONECT 896 851 CONECT 897 850 CONECT 898 847 899 905 906 CONECT 899 898 900 903 904 CONECT 900 899 901 902 CONECT 901 900 CONECT 902 900 CONECT 903 899 CONECT 904 899 CONECT 905 898 CONECT 906 898 CONECT 907 847 CONECT 908 846 CONECT 909 843 910 923 924 CONECT 910 909 911 921 922 CONECT 911 910 912 919 920 CONECT 912 911 913 917 918 CONECT 913 912 914 915 916 CONECT 914 913 CONECT 915 913 CONECT 916 913 CONECT 917 912 CONECT 918 912 CONECT 919 911 CONECT 920 911 CONECT 921 910 CONECT 922 910 CONECT 923 909 CONECT 924 909 CONECT 925 843 CONECT 926 842 CONECT 927 839 928 930 931 CONECT 928 927 929 CONECT 929 928 CONECT 930 927 CONECT 931 927 CONECT 932 839 CONECT 933 838 CONECT 934 838 CONECT 935 838 MASTER 0 0 0 0 0 0 0 0 933 2 105 8 END
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1bbz
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1c5f
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1ddm
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1ff1
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11-mer
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1h26
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1h28
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1irs
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1l2z
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1lcj
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11-mer
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RCSB PDB
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RCSB PDB
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2h9m
RCSB PDB
PDBbind
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PDBbind
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11-mer
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11-mer
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11-mer
4prd
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4pre
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4prh
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11-mer
4pri
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4prn
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4prp
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4pxf
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4qc1
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11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
5ez0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PTPN4-PDZ domain
Ligand Name
11-mer
EC.Number
E.C.3.1.3.48
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
Kd=1.58uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 16699-16708
Ligand Properties
Formula
C
2
9
H
5
3
N
7
O
1
1
Molecular Weight
675.771
Exact Mass
675.380
No. of atoms
100
No. of bonds
100
Polar Surface Area
307.05
LOGP Value
-5.01 (
Computed with XLOGP3
)
-3.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)CCC(=O)O)NC(=O)[C@H](CO)[NH3+]
InChI String
InChI=1S/C29H51N7O11/c1-15(2)13-20(29(46)47)34-27(44)21-8-6-12-36(21)28(45)23(16(3)38)35-26(43)19(9-10-22(39)40)33-25(42)18(7-4-5-11-30)32-24(41)17(31)14-37/h15-21,23,37-38H,4-14,30-31H2,1-3H3,(H,32,41)(H,33,42)(H,34,44)(H,35,43)(H,39,40)(H,46,47)/p+2/t16-,17+,18+,19+,20+,21+,23+/m1/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):
B5MDL5
P29074
Entrez Gene ID
NCBI Entrez Gene ID:
5775
ASD
Information of known allosteric effects of PDB entries
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