Browse entries in the PDBbind-CN Database
HEADER 3BU1_COMPLEX COMPND 3BU1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 CYS ASP THR VAL SER ALA TRP GLN SER LEU ARG GLY PRO SEQRES 2 A 144 GLY THR GLY GLY TYR TYR LEU PHE LYS THR THR GLU GLY SEQRES 3 A 144 GLY LYS THR ASP CYS THR TYR VAL LYS GLY SER ASN PHE SEQRES 4 A 144 ASN ASP ALA ALA GLN THR ALA THR TYR THR TYR GLY ASN SEQRES 5 A 144 LEU GLY SER GLY ASN GLN LEU THR GLN GLN THR ALA SER SEQRES 6 A 144 ALA SER ILE SER GLY ASN ALA ILE VAL VAL GLY THR ASP SEQRES 7 A 144 HIS SER GLU VAL LEU TYR SER ASP GLY SER THR CYS ASP SEQRES 8 A 144 VAL VAL ARG LEU ASN GLY GLN ILE GLU LEU TRP ILE HIS SEQRES 9 A 144 SER SER ALA THR SER ASN THR GLY ASN LEU ASN SER CYS SEQRES 10 A 144 CYS THR ASP LYS PHE ASN GLN GLU LYS GLY SER ARG PRO SEQRES 11 A 144 GLU HIS VAL VAL TYR ARG SER THR CYS PRO ASN LEU PRO SEQRES 12 A 144 GLN HET HSM A 376 18 SSBOND 1 CYS A 4 CYS A 120 SSBOND 2 CYS A 93 CYS A 121 SSBOND 3 CYS A 34 CYS A 142 ATOM 1 N CYS A 4 15.141 5.517 3.535 1.00 12.90 N ATOM 2 CA CYS A 4 15.224 6.999 3.745 1.00 11.76 C ATOM 3 C CYS A 4 15.783 7.345 5.123 1.00 11.36 C ATOM 4 O CYS A 4 15.111 7.964 5.948 1.00 10.63 O ATOM 5 CB CYS A 4 13.850 7.646 3.542 1.00 11.89 C ATOM 6 SG CYS A 4 13.372 7.848 1.820 1.00 11.86 S ATOM 7 HA CYS A 4 15.914 7.399 3.003 1.00 0.00 H ATOM 8 HB2 CYS A 4 13.864 8.630 4.010 1.00 0.00 H ATOM 9 HB3 CYS A 4 13.103 7.022 4.033 1.00 0.00 H ATOM 10 HN3 CYS A 4 14.517 5.100 4.255 1.00 0.00 H ATOM 11 HN2 CYS A 4 16.092 5.103 3.616 1.00 0.00 H ATOM 12 HN1 CYS A 4 14.757 5.323 2.588 1.00 0.00 H ATOM 13 N ASP A 5 17.022 6.934 5.362 1.00 11.20 N ATOM 14 CA ASP A 5 17.689 7.193 6.632 1.00 11.06 C ATOM 15 C ASP A 5 18.030 8.674 6.746 1.00 9.99 C ATOM 16 O ASP A 5 18.761 9.211 5.916 1.00 10.11 O ATOM 17 CB ASP A 5 18.978 6.375 6.742 1.00 12.01 C ATOM 18 CG ASP A 5 18.735 4.884 6.690 1.00 14.56 C ATOM 19 OD1 ASP A 5 17.734 4.415 7.277 1.00 15.52 O ATOM 20 OD2 ASP A 5 19.557 4.181 6.065 1.00 17.30 O ATOM 21 HA ASP A 5 17.013 6.905 7.437 1.00 0.00 H ATOM 22 HB2 ASP A 5 19.636 6.649 5.917 1.00 0.00 H ATOM 23 HB3 ASP A 5 19.463 6.616 7.688 1.00 0.00 H ATOM 24 H ASP A 5 17.532 6.412 4.621 1.00 0.00 H ATOM 25 N THR A 6 17.490 9.319 7.773 1.00 8.51 N ATOM 26 CA THR A 6 17.757 10.727 8.035 1.00 7.49 C ATOM 27 C THR A 6 19.190 10.985 8.499 1.00 6.99 C ATOM 28 O THR A 6 19.819 10.125 9.123 1.00 7.67 O ATOM 29 CB THR A 6 16.757 11.305 9.074 1.00 7.12 C ATOM 30 OG1 THR A 6 16.945 12.724 9.185 1.00 6.83 O ATOM 31 CG2 THR A 6 16.915 10.643 10.457 1.00 7.12 C ATOM 32 HA THR A 6 17.624 11.239 7.082 1.00 0.00 H ATOM 33 HB THR A 6 15.748 11.090 8.722 1.00 0.00 H ATOM 34 HG1 THR A 6 17.871 12.911 9.480 1.00 0.00 H ATOM 35 HG23 THR A 6 16.771 9.567 10.362 1.00 0.00 H ATOM 36 HG21 THR A 6 17.915 10.844 10.843 1.00 0.00 H ATOM 37 HG22 THR A 6 16.171 11.052 11.141 1.00 0.00 H ATOM 38 H THR A 6 16.854 8.801 8.413 1.00 0.00 H ATOM 39 N VAL A 7 19.702 12.171 8.180 1.00 6.47 N ATOM 40 CA VAL A 7 20.919 12.661 8.821 1.00 6.27 C ATOM 41 C VAL A 7 20.581 13.142 10.238 1.00 6.07 C ATOM 42 O VAL A 7 19.405 13.179 10.632 1.00 6.10 O ATOM 43 CB VAL A 7 21.591 13.794 8.000 1.00 6.10 C ATOM 44 CG1 VAL A 7 21.933 13.315 6.584 1.00 6.47 C ATOM 45 CG2 VAL A 7 20.727 15.059 7.972 1.00 6.06 C ATOM 46 HA VAL A 7 21.637 11.842 8.872 1.00 0.00 H ATOM 47 HB VAL A 7 22.525 14.055 8.498 1.00 0.00 H ATOM 48 HG11 VAL A 7 22.619 12.470 6.643 1.00 0.00 H ATOM 49 HG12 VAL A 7 21.019 13.007 6.075 1.00 0.00 H ATOM 50 HG13 VAL A 7 22.403 14.128 6.030 1.00 0.00 H ATOM 51 HG21 VAL A 7 19.763 14.829 7.518 1.00 0.00 H ATOM 52 HG22 VAL A 7 20.574 15.416 8.991 1.00 0.00 H ATOM 53 HG23 VAL A 7 21.231 15.829 7.388 1.00 0.00 H ATOM 54 H VAL A 7 19.228 12.758 7.464 1.00 0.00 H ATOM 55 N SER A 8 21.605 13.505 11.002 1.00 6.03 N ATOM 56 CA SER A 8 21.400 13.991 12.360 1.00 5.91 C ATOM 57 C SER A 8 20.826 15.412 12.359 1.00 5.66 C ATOM 58 O SER A 8 20.839 16.106 11.327 1.00 5.48 O ATOM 59 CB SER A 8 22.723 13.985 13.120 1.00 6.02 C ATOM 60 OG SER A 8 23.569 15.016 12.649 1.00 6.40 O ATOM 61 HA SER A 8 20.687 13.327 12.849 1.00 0.00 H ATOM 62 HB2 SER A 8 23.215 13.023 12.977 1.00 0.00 H ATOM 63 HB3 SER A 8 22.528 14.137 14.182 1.00 0.00 H ATOM 64 HG SER A 8 24.421 14.998 13.152 1.00 0.00 H ATOM 65 H SER A 8 22.572 13.441 10.624 1.00 0.00 H ATOM 66 N ALA A 9 20.359 15.857 13.523 1.00 5.69 N ATOM 67 CA ALA A 9 19.850 17.213 13.657 1.00 5.63 C ATOM 68 C ALA A 9 20.938 18.245 13.368 1.00 5.48 C ATOM 69 O ALA A 9 20.664 19.258 12.728 1.00 6.05 O ATOM 70 CB ALA A 9 19.239 17.424 15.027 1.00 5.97 C ATOM 71 HA ALA A 9 19.064 17.353 12.914 1.00 0.00 H ATOM 72 HB1 ALA A 9 18.416 16.723 15.168 1.00 0.00 H ATOM 73 HB2 ALA A 9 19.997 17.255 15.792 1.00 0.00 H ATOM 74 HB3 ALA A 9 18.865 18.445 15.103 1.00 0.00 H ATOM 75 H ALA A 9 20.358 15.226 14.349 1.00 0.00 H ATOM 76 N TRP A 10 22.172 17.981 13.807 1.00 5.61 N ATOM 77 CA TRP A 10 23.275 18.888 13.485 1.00 5.52 C ATOM 78 C TRP A 10 23.552 18.922 11.979 1.00 5.32 C ATOM 79 O TRP A 10 23.740 19.990 11.399 1.00 5.47 O ATOM 80 CB TRP A 10 24.557 18.545 14.252 1.00 6.15 C ATOM 81 CG TRP A 10 25.729 19.402 13.817 1.00 6.08 C ATOM 82 CD1 TRP A 10 26.862 18.982 13.172 1.00 6.67 C ATOM 83 CD2 TRP A 10 25.848 20.827 13.946 1.00 6.07 C ATOM 84 NE1 TRP A 10 27.685 20.056 12.915 1.00 7.22 N ATOM 85 CE2 TRP A 10 27.090 21.198 13.383 1.00 7.01 C ATOM 86 CE3 TRP A 10 25.038 21.826 14.506 1.00 5.99 C ATOM 87 CZ2 TRP A 10 27.533 22.527 13.353 1.00 7.46 C ATOM 88 CZ3 TRP A 10 25.476 23.146 14.472 1.00 6.27 C ATOM 89 CH2 TRP A 10 26.714 23.484 13.904 1.00 6.97 C ATOM 90 HA TRP A 10 22.956 19.881 13.803 1.00 0.00 H ATOM 91 HB2 TRP A 10 24.383 18.702 15.316 1.00 0.00 H ATOM 92 HB3 TRP A 10 24.803 17.498 14.076 1.00 0.00 H ATOM 93 HE1 TRP A 10 28.610 20.008 12.442 1.00 0.00 H ATOM 94 HD1 TRP A 10 27.080 17.949 12.902 1.00 0.00 H ATOM 95 HZ2 TRP A 10 28.492 22.793 12.909 1.00 0.00 H ATOM 96 HH2 TRP A 10 27.033 24.526 13.900 1.00 0.00 H ATOM 97 HZ3 TRP A 10 24.847 23.930 14.893 1.00 0.00 H ATOM 98 HE3 TRP A 10 24.080 21.572 14.961 1.00 0.00 H ATOM 99 H TRP A 10 22.349 17.130 14.378 1.00 0.00 H ATOM 100 N GLN A 11 23.548 17.753 11.345 1.00 5.28 N ATOM 101 CA GLN A 11 23.756 17.696 9.901 1.00 5.19 C ATOM 102 C GLN A 11 22.637 18.425 9.146 1.00 5.12 C ATOM 103 O GLN A 11 22.886 19.067 8.132 1.00 5.75 O ATOM 104 CB GLN A 11 23.920 16.251 9.444 1.00 5.33 C ATOM 105 CG GLN A 11 25.250 15.653 9.896 1.00 6.57 C ATOM 106 CD GLN A 11 25.336 14.145 9.736 1.00 7.66 C ATOM 107 OE1 GLN A 11 24.323 13.432 9.742 1.00 7.45 O ATOM 108 NE2 GLN A 11 26.564 13.643 9.616 1.00 9.03 N ATOM 109 HA GLN A 11 24.681 18.221 9.662 1.00 0.00 H ATOM 110 HB2 GLN A 11 23.107 15.656 9.860 1.00 0.00 H ATOM 111 HB3 GLN A 11 23.872 16.219 8.356 1.00 0.00 H ATOM 112 HG2 GLN A 11 26.048 16.106 9.307 1.00 0.00 H ATOM 113 HG3 GLN A 11 25.395 15.895 10.949 1.00 0.00 H ATOM 114 HE22 GLN A 11 27.388 14.278 9.616 1.00 0.00 H ATOM 115 HE21 GLN A 11 26.699 12.616 9.523 1.00 0.00 H ATOM 116 H GLN A 11 23.396 16.875 11.881 1.00 0.00 H ATOM 117 N SER A 12 21.414 18.343 9.665 1.00 4.81 N ATOM 118 CA SER A 12 20.288 19.116 9.118 1.00 4.67 C ATOM 119 C SER A 12 20.491 20.624 9.281 1.00 4.69 C ATOM 120 O SER A 12 20.362 21.387 8.325 1.00 4.67 O ATOM 121 CB SER A 12 18.981 18.708 9.795 1.00 4.46 C ATOM 122 OG SER A 12 17.913 19.540 9.378 1.00 4.46 O ATOM 123 HA SER A 12 20.239 18.893 8.052 1.00 0.00 H ATOM 124 HB2 SER A 12 19.098 18.791 10.876 1.00 0.00 H ATOM 125 HB3 SER A 12 18.751 17.675 9.534 1.00 0.00 H ATOM 126 HG SER A 12 17.801 19.464 8.397 1.00 0.00 H ATOM 127 H SER A 12 21.250 17.716 10.478 1.00 0.00 H ATOM 128 N LEU A 13 20.803 21.050 10.502 1.00 4.91 N ATOM 129 CA LEU A 13 21.023 22.467 10.800 1.00 5.61 C ATOM 130 C LEU A 13 22.103 23.054 9.874 1.00 5.78 C ATOM 131 O LEU A 13 21.901 24.080 9.218 1.00 6.01 O ATOM 132 CB LEU A 13 21.426 22.614 12.268 1.00 5.79 C ATOM 133 CG LEU A 13 21.470 24.010 12.899 1.00 6.18 C ATOM 134 CD1 LEU A 13 21.553 23.873 14.407 1.00 6.66 C ATOM 135 CD2 LEU A 13 22.640 24.860 12.381 1.00 7.01 C ATOM 136 HA LEU A 13 20.101 23.021 10.625 1.00 0.00 H ATOM 137 HB2 LEU A 13 20.720 22.023 12.852 1.00 0.00 H ATOM 138 HB3 LEU A 13 22.424 22.188 12.368 1.00 0.00 H ATOM 139 HG LEU A 13 20.555 24.530 12.614 1.00 0.00 H ATOM 140 HD21 LEU A 13 23.581 24.360 12.611 1.00 0.00 H ATOM 141 HD22 LEU A 13 22.548 24.984 11.302 1.00 0.00 H ATOM 142 HD23 LEU A 13 22.619 25.837 12.864 1.00 0.00 H ATOM 143 HD11 LEU A 13 20.678 23.334 14.770 1.00 0.00 H ATOM 144 HD12 LEU A 13 22.456 23.323 14.671 1.00 0.00 H ATOM 145 HD13 LEU A 13 21.584 24.864 14.859 1.00 0.00 H ATOM 146 H LEU A 13 20.894 20.354 11.270 1.00 0.00 H ATOM 147 N ARG A 14 23.244 22.382 9.807 1.00 6.14 N ATOM 148 CA ARG A 14 24.373 22.885 9.035 1.00 6.61 C ATOM 149 C ARG A 14 24.154 22.791 7.520 1.00 6.69 C ATOM 150 O ARG A 14 24.568 23.682 6.767 1.00 6.75 O ATOM 151 CB ARG A 14 25.633 22.142 9.446 1.00 7.20 C ATOM 152 CG ARG A 14 26.900 22.657 8.793 1.00 8.37 C ATOM 153 CD ARG A 14 28.021 21.700 9.060 1.00 10.43 C ATOM 154 NE ARG A 14 27.651 20.352 8.639 1.00 11.14 N ATOM 155 CZ ARG A 14 28.222 19.244 9.087 1.00 11.36 C ATOM 156 NH1 ARG A 14 29.214 19.306 9.969 1.00 11.21 N ATOM 157 NH2 ARG A 14 27.791 18.070 8.654 1.00 10.31 N ATOM 158 HA ARG A 14 24.478 23.947 9.257 1.00 0.00 H ATOM 159 HB2 ARG A 14 25.745 22.230 10.527 1.00 0.00 H ATOM 160 HB3 ARG A 14 25.513 21.092 9.179 1.00 0.00 H ATOM 161 HG2 ARG A 14 26.745 22.746 7.718 1.00 0.00 H ATOM 162 HG3 ARG A 14 27.150 23.635 9.205 1.00 0.00 H ATOM 163 HD2 ARG A 14 28.243 21.695 10.127 1.00 0.00 H ATOM 164 HD3 ARG A 14 28.905 22.019 8.508 1.00 0.00 H ATOM 165 HE ARG A 14 26.887 20.255 7.940 1.00 0.00 H ATOM 166 HH12 ARG A 14 29.657 18.431 10.316 1.00 0.00 H ATOM 167 HH11 ARG A 14 29.547 20.229 10.313 1.00 0.00 H ATOM 168 HH22 ARG A 14 28.233 17.194 9.000 1.00 0.00 H ATOM 169 HH21 ARG A 14 27.011 18.023 7.968 1.00 0.00 H ATOM 170 H ARG A 14 23.335 21.479 10.315 1.00 0.00 H ATOM 171 N GLY A 15 23.501 21.718 7.078 1.00 6.97 N ATOM 172 CA GLY A 15 23.247 21.517 5.653 1.00 7.38 C ATOM 173 C GLY A 15 24.551 21.495 4.868 1.00 7.73 C ATOM 174 O GLY A 15 25.546 20.942 5.338 1.00 7.67 O ATOM 175 HA3 GLY A 15 22.621 22.329 5.283 1.00 0.00 H ATOM 176 HA2 GLY A 15 22.729 20.568 5.513 1.00 0.00 H ATOM 177 H GLY A 15 23.165 21.009 7.761 1.00 0.00 H ATOM 178 N PRO A 16 24.561 22.102 3.666 1.00 8.06 N ATOM 179 CA PRO A 16 25.804 22.207 2.887 1.00 8.64 C ATOM 180 C PRO A 16 26.852 23.117 3.535 1.00 8.70 C ATOM 181 O PRO A 16 28.002 23.134 3.094 1.00 9.58 O ATOM 182 CB PRO A 16 25.343 22.821 1.556 1.00 8.97 C ATOM 183 CG PRO A 16 23.856 22.664 1.525 1.00 8.90 C ATOM 184 CD PRO A 16 23.413 22.693 2.955 1.00 8.10 C ATOM 185 HA PRO A 16 26.290 21.235 2.796 1.00 0.00 H ATOM 186 HD3 PRO A 16 23.228 23.714 3.288 1.00 0.00 H ATOM 187 HD2 PRO A 16 22.512 22.096 3.099 1.00 0.00 H ATOM 188 HG3 PRO A 16 23.584 21.716 1.062 1.00 0.00 H ATOM 189 HG2 PRO A 16 23.399 23.483 0.969 1.00 0.00 H ATOM 190 HB2 PRO A 16 25.614 23.876 1.511 1.00 0.00 H ATOM 191 HB3 PRO A 16 25.798 22.294 0.717 1.00 0.00 H ATOM 192 N GLY A 17 26.462 23.870 4.561 1.00 8.69 N ATOM 193 CA GLY A 17 27.378 24.810 5.212 1.00 8.85 C ATOM 194 C GLY A 17 27.447 26.153 4.506 1.00 8.95 C ATOM 195 O GLY A 17 28.250 27.014 4.869 1.00 9.63 O ATOM 196 HA3 GLY A 17 28.376 24.372 5.224 1.00 0.00 H ATOM 197 HA2 GLY A 17 27.041 24.972 6.236 1.00 0.00 H ATOM 198 H GLY A 17 25.485 23.789 4.908 1.00 0.00 H ATOM 199 N THR A 18 26.605 26.320 3.491 1.00 9.15 N ATOM 200 CA THR A 18 26.476 27.558 2.729 1.00 9.33 C ATOM 201 C THR A 18 25.005 27.705 2.332 1.00 8.57 C ATOM 202 O THR A 18 24.249 26.728 2.391 1.00 8.55 O ATOM 203 CB THR A 18 27.395 27.555 1.476 1.00 9.89 C ATOM 204 OG1 THR A 18 27.429 28.865 0.892 1.00 12.62 O ATOM 205 CG2 THR A 18 26.924 26.535 0.442 1.00 10.69 C ATOM 206 HA THR A 18 26.792 28.404 3.339 1.00 0.00 H ATOM 207 HB THR A 18 28.398 27.272 1.794 1.00 0.00 H ATOM 208 HG1 THR A 18 27.781 29.511 1.554 1.00 0.00 H ATOM 209 HG23 THR A 18 26.902 25.544 0.895 1.00 0.00 H ATOM 210 HG21 THR A 18 25.924 26.802 0.099 1.00 0.00 H ATOM 211 HG22 THR A 18 27.611 26.534 -0.404 1.00 0.00 H ATOM 212 H THR A 18 26.000 25.518 3.223 1.00 0.00 H ATOM 213 N GLY A 19 24.595 28.909 1.946 1.00 7.91 N ATOM 214 CA GLY A 19 23.198 29.167 1.603 1.00 7.37 C ATOM 215 C GLY A 19 22.319 29.102 2.835 1.00 6.86 C ATOM 216 O GLY A 19 22.786 29.267 3.959 1.00 7.37 O ATOM 217 HA3 GLY A 19 22.862 28.419 0.885 1.00 0.00 H ATOM 218 HA2 GLY A 19 23.117 30.159 1.158 1.00 0.00 H ATOM 219 H GLY A 19 25.284 29.685 1.887 1.00 0.00 H ATOM 220 N GLY A 20 21.034 28.863 2.619 1.00 5.87 N ATOM 221 CA GLY A 20 20.079 28.784 3.718 1.00 5.39 C ATOM 222 C GLY A 20 18.836 28.043 3.280 1.00 4.90 C ATOM 223 O GLY A 20 18.818 27.401 2.221 1.00 5.13 O ATOM 224 HA3 GLY A 20 19.806 29.792 4.031 1.00 0.00 H ATOM 225 HA2 GLY A 20 20.536 28.257 4.555 1.00 0.00 H ATOM 226 H GLY A 20 20.699 28.729 1.644 1.00 0.00 H ATOM 227 N TYR A 21 17.789 28.130 4.093 1.00 4.85 N ATOM 228 CA TYR A 21 16.593 27.335 3.851 1.00 4.40 C ATOM 229 C TYR A 21 15.340 28.179 3.881 1.00 4.52 C ATOM 230 O TYR A 21 15.152 28.990 4.797 1.00 4.96 O ATOM 231 CB TYR A 21 16.471 26.211 4.884 1.00 4.65 C ATOM 232 CG TYR A 21 17.486 25.106 4.704 1.00 4.31 C ATOM 233 CD1 TYR A 21 17.123 23.879 4.132 1.00 5.01 C ATOM 234 CD2 TYR A 21 18.815 25.279 5.105 1.00 4.97 C ATOM 235 CE1 TYR A 21 18.064 22.860 3.969 1.00 5.24 C ATOM 236 CE2 TYR A 21 19.755 24.265 4.944 1.00 4.99 C ATOM 237 CZ TYR A 21 19.373 23.069 4.372 1.00 5.26 C ATOM 238 OH TYR A 21 20.304 22.071 4.221 1.00 5.87 O ATOM 239 HA TYR A 21 16.695 26.906 2.854 1.00 0.00 H ATOM 240 HB3 TYR A 21 15.474 25.778 4.806 1.00 0.00 H ATOM 241 HB2 TYR A 21 16.602 26.641 5.877 1.00 0.00 H ATOM 242 HD2 TYR A 21 19.120 26.225 5.552 1.00 0.00 H ATOM 243 HE2 TYR A 21 20.785 24.415 5.267 1.00 0.00 H ATOM 244 HE1 TYR A 21 17.771 21.907 3.528 1.00 0.00 H ATOM 245 HD1 TYR A 21 16.094 23.718 3.811 1.00 0.00 H ATOM 246 HH TYR A 21 19.877 21.284 3.799 1.00 0.00 H ATOM 247 H TYR A 21 17.824 28.772 4.910 1.00 0.00 H ATOM 248 N TYR A 22 14.478 27.972 2.885 1.00 4.51 N ATOM 249 CA TYR A 22 13.155 28.585 2.869 1.00 4.58 C ATOM 250 C TYR A 22 12.135 27.574 3.356 1.00 4.39 C ATOM 251 O TYR A 22 12.228 26.386 3.045 1.00 4.75 O ATOM 252 CB TYR A 22 12.759 29.024 1.457 1.00 5.28 C ATOM 253 CG TYR A 22 13.557 30.165 0.865 1.00 5.89 C ATOM 254 CD1 TYR A 22 13.142 31.493 1.024 1.00 6.41 C ATOM 255 CD2 TYR A 22 14.710 29.921 0.115 1.00 6.03 C ATOM 256 CE1 TYR A 22 13.862 32.550 0.454 1.00 6.84 C ATOM 257 CE2 TYR A 22 15.433 30.972 -0.459 1.00 7.16 C ATOM 258 CZ TYR A 22 15.003 32.280 -0.287 1.00 7.00 C ATOM 259 OH TYR A 22 15.727 33.317 -0.845 1.00 8.57 O ATOM 260 HA TYR A 22 13.181 29.462 3.516 1.00 0.00 H ATOM 261 HB3 TYR A 22 11.713 29.328 1.484 1.00 0.00 H ATOM 262 HB2 TYR A 22 12.869 28.163 0.797 1.00 0.00 H ATOM 263 HD2 TYR A 22 15.052 28.895 -0.025 1.00 0.00 H ATOM 264 HE2 TYR A 22 16.332 30.764 -1.040 1.00 0.00 H ATOM 265 HE1 TYR A 22 13.528 33.578 0.592 1.00 0.00 H ATOM 266 HD1 TYR A 22 12.243 31.708 1.602 1.00 0.00 H ATOM 267 HH TYR A 22 15.288 34.178 -0.630 1.00 0.00 H ATOM 268 H TYR A 22 14.758 27.355 2.096 1.00 0.00 H ATOM 269 N LEU A 23 11.155 28.049 4.112 1.00 4.22 N ATOM 270 CA LEU A 23 9.996 27.231 4.426 1.00 4.26 C ATOM 271 C LEU A 23 9.148 27.079 3.161 1.00 4.44 C ATOM 272 O LEU A 23 8.634 28.057 2.613 1.00 4.72 O ATOM 273 CB LEU A 23 9.180 27.843 5.566 1.00 4.48 C ATOM 274 CG LEU A 23 7.936 27.064 5.999 1.00 4.25 C ATOM 275 CD1 LEU A 23 8.250 25.614 6.391 1.00 4.50 C ATOM 276 CD2 LEU A 23 7.270 27.811 7.149 1.00 5.55 C ATOM 277 HA LEU A 23 10.326 26.249 4.764 1.00 0.00 H ATOM 278 HB2 LEU A 23 9.835 27.934 6.433 1.00 0.00 H ATOM 279 HB3 LEU A 23 8.858 28.835 5.250 1.00 0.00 H ATOM 280 HG LEU A 23 7.257 27.001 5.149 1.00 0.00 H ATOM 281 HD21 LEU A 23 7.968 27.889 7.982 1.00 0.00 H ATOM 282 HD22 LEU A 23 6.986 28.809 6.816 1.00 0.00 H ATOM 283 HD23 LEU A 23 6.381 27.267 7.468 1.00 0.00 H ATOM 284 HD11 LEU A 23 8.689 25.095 5.539 1.00 0.00 H ATOM 285 HD12 LEU A 23 8.954 25.608 7.223 1.00 0.00 H ATOM 286 HD13 LEU A 23 7.329 25.112 6.689 1.00 0.00 H ATOM 287 H LEU A 23 11.217 29.018 4.484 1.00 0.00 H ATOM 288 N PHE A 24 9.036 25.847 2.680 1.00 4.67 N ATOM 289 CA PHE A 24 8.291 25.563 1.455 1.00 5.04 C ATOM 290 C PHE A 24 6.819 25.292 1.759 1.00 5.15 C ATOM 291 O PHE A 24 5.942 26.026 1.283 1.00 5.46 O ATOM 292 CB PHE A 24 8.975 24.431 0.663 1.00 5.11 C ATOM 293 CG PHE A 24 8.168 23.883 -0.506 1.00 4.58 C ATOM 294 CD1 PHE A 24 7.334 24.693 -1.281 1.00 5.40 C ATOM 295 CD2 PHE A 24 8.278 22.536 -0.843 1.00 5.32 C ATOM 296 CE1 PHE A 24 6.603 24.146 -2.356 1.00 5.99 C ATOM 297 CE2 PHE A 24 7.557 21.993 -1.915 1.00 6.20 C ATOM 298 CZ PHE A 24 6.725 22.800 -2.670 1.00 5.88 C ATOM 299 HA PHE A 24 8.304 26.444 0.813 1.00 0.00 H ATOM 300 HB2 PHE A 24 9.918 24.813 0.273 1.00 0.00 H ATOM 301 HB3 PHE A 24 9.174 23.609 1.351 1.00 0.00 H ATOM 302 HD2 PHE A 24 8.938 21.892 -0.262 1.00 0.00 H ATOM 303 HE2 PHE A 24 7.652 20.934 -2.154 1.00 0.00 H ATOM 304 HZ PHE A 24 6.168 22.380 -3.508 1.00 0.00 H ATOM 305 HE1 PHE A 24 5.940 24.783 -2.942 1.00 0.00 H ATOM 306 HD1 PHE A 24 7.248 25.755 -1.053 1.00 0.00 H ATOM 307 H PHE A 24 9.491 25.062 3.189 1.00 0.00 H ATOM 308 N LYS A 25 6.551 24.261 2.553 1.00 5.10 N ATOM 309 CA LYS A 25 5.176 23.916 2.908 1.00 5.43 C ATOM 310 C LYS A 25 5.057 23.679 4.403 1.00 5.22 C ATOM 311 O LYS A 25 6.007 23.246 5.057 1.00 5.41 O ATOM 312 CB LYS A 25 4.691 22.688 2.134 1.00 6.01 C ATOM 313 CG LYS A 25 4.619 22.911 0.627 1.00 7.70 C ATOM 314 CD LYS A 25 3.676 21.963 -0.079 1.00 9.92 C ATOM 315 CE LYS A 25 4.232 20.560 -0.143 1.00 9.77 C ATOM 316 NZ LYS A 25 3.366 19.673 -0.992 1.00 11.41 N ATOM 317 HA LYS A 25 4.540 24.758 2.633 1.00 0.00 H ATOM 318 HB2 LYS A 25 5.377 21.863 2.329 1.00 0.00 H ATOM 319 HB3 LYS A 25 3.696 22.424 2.492 1.00 0.00 H ATOM 320 HG2 LYS A 25 4.283 23.932 0.445 1.00 0.00 H ATOM 321 HG3 LYS A 25 5.617 22.779 0.210 1.00 0.00 H ATOM 322 HD2 LYS A 25 2.728 21.943 0.459 1.00 0.00 H ATOM 323 HD3 LYS A 25 3.509 22.323 -1.094 1.00 0.00 H ATOM 324 HE2 LYS A 25 4.281 20.150 0.866 1.00 0.00 H ATOM 325 HE3 LYS A 25 5.234 20.593 -0.570 1.00 0.00 H ATOM 326 HZ1 LYS A 25 2.409 19.634 -0.587 1.00 0.00 H ATOM 327 HZ2 LYS A 25 3.319 20.057 -1.957 1.00 0.00 H ATOM 328 HZ3 LYS A 25 3.772 18.716 -1.018 1.00 0.00 H ATOM 329 H LYS A 25 7.334 23.689 2.929 1.00 0.00 H ATOM 330 N THR A 26 3.886 23.985 4.949 1.00 5.16 N ATOM 331 CA THR A 26 3.623 23.762 6.357 1.00 5.27 C ATOM 332 C THR A 26 2.147 23.478 6.590 1.00 4.93 C ATOM 333 O THR A 26 1.285 23.872 5.787 1.00 5.36 O ATOM 334 CB THR A 26 4.074 24.964 7.227 1.00 4.94 C ATOM 335 OG1 THR A 26 3.747 24.698 8.596 1.00 4.92 O ATOM 336 CG2 THR A 26 3.399 26.271 6.779 1.00 5.72 C ATOM 337 HA THR A 26 4.207 22.892 6.658 1.00 0.00 H ATOM 338 HB THR A 26 5.151 25.089 7.111 1.00 0.00 H ATOM 339 HG1 THR A 26 4.033 25.462 9.157 1.00 0.00 H ATOM 340 HG23 THR A 26 3.650 26.470 5.737 1.00 0.00 H ATOM 341 HG21 THR A 26 2.318 26.174 6.881 1.00 0.00 H ATOM 342 HG22 THR A 26 3.752 27.093 7.402 1.00 0.00 H ATOM 343 H THR A 26 3.139 24.395 4.352 1.00 0.00 H ATOM 344 N THR A 27 1.859 22.798 7.697 1.00 5.22 N ATOM 345 CA THR A 27 0.477 22.658 8.161 1.00 5.72 C ATOM 346 C THR A 27 -0.043 23.941 8.826 1.00 6.32 C ATOM 347 O THR A 27 -1.251 24.085 9.055 1.00 6.39 O ATOM 348 CB THR A 27 0.332 21.496 9.162 1.00 5.26 C ATOM 349 OG1 THR A 27 1.315 21.626 10.197 1.00 5.18 O ATOM 350 CG2 THR A 27 0.506 20.155 8.458 1.00 6.11 C ATOM 351 HA THR A 27 -0.117 22.453 7.270 1.00 0.00 H ATOM 352 HB THR A 27 -0.667 21.535 9.597 1.00 0.00 H ATOM 353 HG1 THR A 27 1.183 22.486 10.670 1.00 0.00 H ATOM 354 HG23 THR A 27 -0.243 20.059 7.672 1.00 0.00 H ATOM 355 HG21 THR A 27 1.503 20.102 8.021 1.00 0.00 H ATOM 356 HG22 THR A 27 0.382 19.348 9.180 1.00 0.00 H ATOM 357 H THR A 27 2.628 22.359 8.242 1.00 0.00 H ATOM 358 N GLU A 28 0.861 24.866 9.141 1.00 6.86 N ATOM 359 CA GLU A 28 0.488 26.080 9.867 1.00 7.74 C ATOM 360 C GLU A 28 -0.122 27.133 8.945 1.00 8.43 C ATOM 361 O GLU A 28 0.486 27.525 7.954 1.00 9.18 O ATOM 362 CB GLU A 28 1.705 26.661 10.587 1.00 7.60 C ATOM 363 CG GLU A 28 1.349 27.747 11.586 1.00 8.84 C ATOM 364 CD GLU A 28 2.553 28.382 12.243 1.00 10.04 C ATOM 365 OE1 GLU A 28 3.684 27.883 12.080 1.00 9.15 O ATOM 366 OE2 GLU A 28 2.363 29.409 12.925 1.00 12.15 O ATOM 367 HA GLU A 28 -0.270 25.801 10.599 1.00 0.00 H ATOM 368 HB2 GLU A 28 2.211 25.855 11.118 1.00 0.00 H ATOM 369 HB3 GLU A 28 2.379 27.083 9.842 1.00 0.00 H ATOM 370 HG2 GLU A 28 0.790 28.525 11.066 1.00 0.00 H ATOM 371 HG3 GLU A 28 0.723 27.309 12.363 1.00 0.00 H ATOM 372 H GLU A 28 1.853 24.723 8.865 1.00 0.00 H ATOM 373 N GLY A 29 -1.322 27.600 9.283 1.00 9.39 N ATOM 374 CA GLY A 29 -1.946 28.714 8.563 1.00 10.12 C ATOM 375 C GLY A 29 -1.393 30.059 9.008 1.00 10.65 C ATOM 376 O GLY A 29 -0.792 30.165 10.077 1.00 11.14 O ATOM 377 HA3 GLY A 29 -3.020 28.696 8.748 1.00 0.00 H ATOM 378 HA2 GLY A 29 -1.760 28.592 7.496 1.00 0.00 H ATOM 379 H GLY A 29 -1.830 27.163 10.078 1.00 0.00 H ATOM 380 N GLY A 30 -1.580 31.080 8.170 1.00 11.37 N ATOM 381 CA GLY A 30 -1.201 32.453 8.511 1.00 11.82 C ATOM 382 C GLY A 30 0.293 32.738 8.547 1.00 11.82 C ATOM 383 O GLY A 30 0.732 33.725 9.144 1.00 12.67 O ATOM 384 HA3 GLY A 30 -1.608 32.678 9.497 1.00 0.00 H ATOM 385 HA2 GLY A 30 -1.651 33.117 7.773 1.00 0.00 H ATOM 386 H GLY A 30 -2.010 30.894 7.242 1.00 0.00 H ATOM 387 N LYS A 31 1.086 31.873 7.921 1.00 11.57 N ATOM 388 CA LYS A 31 2.531 32.054 7.908 1.00 10.94 C ATOM 389 C LYS A 31 2.915 33.129 6.893 1.00 10.23 C ATOM 390 O LYS A 31 2.369 33.172 5.794 1.00 10.42 O ATOM 391 CB LYS A 31 3.218 30.737 7.560 1.00 11.21 C ATOM 392 CG LYS A 31 4.598 30.587 8.140 1.00 12.07 C ATOM 393 CD LYS A 31 4.547 30.308 9.637 1.00 13.19 C ATOM 394 CE LYS A 31 5.926 29.940 10.129 1.00 13.69 C ATOM 395 NZ LYS A 31 5.929 29.693 11.582 1.00 14.77 N ATOM 396 HA LYS A 31 2.857 32.372 8.898 1.00 0.00 H ATOM 397 HB2 LYS A 31 2.600 29.920 7.933 1.00 0.00 H ATOM 398 HB3 LYS A 31 3.294 30.667 6.475 1.00 0.00 H ATOM 399 HG2 LYS A 31 5.104 29.760 7.642 1.00 0.00 H ATOM 400 HG3 LYS A 31 5.156 31.508 7.970 1.00 0.00 H ATOM 401 HD2 LYS A 31 4.200 31.199 10.161 1.00 0.00 H ATOM 402 HD3 LYS A 31 3.860 29.484 9.830 1.00 0.00 H ATOM 403 HE2 LYS A 31 6.612 30.757 9.906 1.00 0.00 H ATOM 404 HE3 LYS A 31 6.258 29.038 9.615 1.00 0.00 H ATOM 405 HZ1 LYS A 31 5.618 30.552 12.079 1.00 0.00 H ATOM 406 HZ2 LYS A 31 5.280 28.911 11.801 1.00 0.00 H ATOM 407 HZ3 LYS A 31 6.891 29.443 11.888 1.00 0.00 H ATOM 408 H LYS A 31 0.668 31.055 7.433 1.00 0.00 H ATOM 409 N THR A 32 3.847 33.999 7.261 1.00 9.84 N ATOM 410 CA THR A 32 4.299 35.048 6.349 1.00 9.23 C ATOM 411 C THR A 32 5.129 34.457 5.202 1.00 8.36 C ATOM 412 O THR A 32 5.988 33.595 5.416 1.00 7.77 O ATOM 413 CB THR A 32 5.091 36.148 7.097 1.00 9.40 C ATOM 414 OG1 THR A 32 4.287 36.665 8.166 1.00 10.63 O ATOM 415 CG2 THR A 32 5.479 37.286 6.163 1.00 10.02 C ATOM 416 HA THR A 32 3.413 35.516 5.920 1.00 0.00 H ATOM 417 HB THR A 32 6.005 35.703 7.490 1.00 0.00 H ATOM 418 HG1 THR A 32 4.791 37.369 8.646 1.00 0.00 H ATOM 419 HG23 THR A 32 6.090 36.895 5.350 1.00 0.00 H ATOM 420 HG21 THR A 32 4.577 37.742 5.754 1.00 0.00 H ATOM 421 HG22 THR A 32 6.046 38.033 6.718 1.00 0.00 H ATOM 422 H THR A 32 4.262 33.933 8.212 1.00 0.00 H ATOM 423 N ASP A 33 4.843 34.909 3.981 1.00 7.88 N ATOM 424 CA ASP A 33 5.610 34.521 2.799 1.00 7.80 C ATOM 425 C ASP A 33 7.113 34.659 3.026 1.00 7.10 C ATOM 426 O ASP A 33 7.568 35.585 3.699 1.00 7.41 O ATOM 427 CB ASP A 33 5.246 35.417 1.611 1.00 8.36 C ATOM 428 CG ASP A 33 3.840 35.175 1.075 1.00 10.11 C ATOM 429 OD1 ASP A 33 3.153 34.221 1.506 1.00 11.27 O ATOM 430 OD2 ASP A 33 3.437 35.964 0.194 1.00 13.29 O ATOM 431 HA ASP A 33 5.364 33.479 2.597 1.00 0.00 H ATOM 432 HB2 ASP A 33 5.320 36.457 1.928 1.00 0.00 H ATOM 433 HB3 ASP A 33 5.959 35.231 0.807 1.00 0.00 H ATOM 434 H ASP A 33 4.043 35.563 3.865 1.00 0.00 H ATOM 435 N CYS A 34 7.877 33.744 2.436 1.00 6.72 N ATOM 436 CA CYS A 34 9.344 33.831 2.401 1.00 6.38 C ATOM 437 C CYS A 34 9.998 33.647 3.765 1.00 5.77 C ATOM 438 O CYS A 34 11.116 34.104 3.985 1.00 6.55 O ATOM 439 CB CYS A 34 9.821 35.134 1.743 1.00 6.49 C ATOM 440 SG CYS A 34 8.974 35.551 0.203 1.00 7.50 S ATOM 441 HA CYS A 34 9.668 32.992 1.785 1.00 0.00 H ATOM 442 HB2 CYS A 34 10.886 35.038 1.531 1.00 0.00 H ATOM 443 HB3 CYS A 34 9.664 35.949 2.449 1.00 0.00 H ATOM 444 H CYS A 34 7.416 32.931 1.979 1.00 0.00 H ATOM 445 N THR A 35 9.294 32.977 4.672 1.00 5.26 N ATOM 446 CA THR A 35 9.888 32.523 5.920 1.00 5.22 C ATOM 447 C THR A 35 11.162 31.735 5.602 1.00 4.76 C ATOM 448 O THR A 35 11.177 30.868 4.714 1.00 4.86 O ATOM 449 CB THR A 35 8.883 31.650 6.694 1.00 5.39 C ATOM 450 OG1 THR A 35 7.794 32.469 7.143 1.00 6.29 O ATOM 451 CG2 THR A 35 9.521 30.983 7.901 1.00 5.12 C ATOM 452 HA THR A 35 10.143 33.378 6.546 1.00 0.00 H ATOM 453 HB THR A 35 8.533 30.869 6.019 1.00 0.00 H ATOM 454 HG1 THR A 35 7.346 32.878 6.361 1.00 0.00 H ATOM 455 HG23 THR A 35 10.351 30.357 7.572 1.00 0.00 H ATOM 456 HG21 THR A 35 9.890 31.748 8.585 1.00 0.00 H ATOM 457 HG22 THR A 35 8.779 30.367 8.409 1.00 0.00 H ATOM 458 H THR A 35 8.292 32.772 4.484 1.00 0.00 H ATOM 459 N TYR A 36 12.240 32.055 6.306 1.00 4.53 N ATOM 460 CA TYR A 36 13.541 31.437 6.029 1.00 4.78 C ATOM 461 C TYR A 36 14.377 31.353 7.301 1.00 4.58 C ATOM 462 O TYR A 36 14.134 32.075 8.277 1.00 4.62 O ATOM 463 CB TYR A 36 14.312 32.254 4.962 1.00 5.10 C ATOM 464 CG TYR A 36 14.932 33.495 5.570 1.00 5.12 C ATOM 465 CD1 TYR A 36 16.232 33.472 6.097 1.00 4.76 C ATOM 466 CD2 TYR A 36 14.188 34.672 5.698 1.00 5.21 C ATOM 467 CE1 TYR A 36 16.778 34.600 6.716 1.00 5.68 C ATOM 468 CE2 TYR A 36 14.729 35.800 6.303 1.00 5.44 C ATOM 469 CZ TYR A 36 16.019 35.754 6.807 1.00 5.74 C ATOM 470 OH TYR A 36 16.559 36.849 7.430 1.00 6.98 O ATOM 471 HA TYR A 36 13.362 30.430 5.652 1.00 0.00 H ATOM 472 HB3 TYR A 36 13.621 32.551 4.173 1.00 0.00 H ATOM 473 HB2 TYR A 36 15.101 31.632 4.538 1.00 0.00 H ATOM 474 HD2 TYR A 36 13.167 34.705 5.317 1.00 0.00 H ATOM 475 HE2 TYR A 36 14.142 36.715 6.381 1.00 0.00 H ATOM 476 HE1 TYR A 36 17.789 34.571 7.122 1.00 0.00 H ATOM 477 HD1 TYR A 36 16.825 32.561 6.023 1.00 0.00 H ATOM 478 HH TYR A 36 16.006 37.086 8.216 1.00 0.00 H ATOM 479 H TYR A 36 12.161 32.757 7.069 1.00 0.00 H ATOM 480 N VAL A 37 15.392 30.495 7.256 1.00 4.59 N ATOM 481 CA VAL A 37 16.487 30.497 8.228 1.00 4.80 C ATOM 482 C VAL A 37 17.795 30.357 7.452 1.00 5.00 C ATOM 483 O VAL A 37 17.833 29.767 6.365 1.00 5.77 O ATOM 484 CB VAL A 37 16.374 29.354 9.283 1.00 4.57 C ATOM 485 CG1 VAL A 37 15.103 29.491 10.120 1.00 5.84 C ATOM 486 CG2 VAL A 37 16.476 27.965 8.624 1.00 4.89 C ATOM 487 HA VAL A 37 16.446 31.431 8.788 1.00 0.00 H ATOM 488 HB VAL A 37 17.221 29.450 9.963 1.00 0.00 H ATOM 489 HG11 VAL A 37 15.116 30.446 10.644 1.00 0.00 H ATOM 490 HG12 VAL A 37 14.232 29.446 9.466 1.00 0.00 H ATOM 491 HG13 VAL A 37 15.057 28.678 10.845 1.00 0.00 H ATOM 492 HG21 VAL A 37 15.670 27.848 7.900 1.00 0.00 H ATOM 493 HG22 VAL A 37 17.437 27.874 8.118 1.00 0.00 H ATOM 494 HG23 VAL A 37 16.393 27.194 9.390 1.00 0.00 H ATOM 495 H VAL A 37 15.409 29.788 6.493 1.00 0.00 H ATOM 496 N LYS A 38 18.874 30.882 8.018 1.00 5.79 N ATOM 497 CA LYS A 38 20.192 30.729 7.416 1.00 5.93 C ATOM 498 C LYS A 38 21.250 30.607 8.500 1.00 6.06 C ATOM 499 O LYS A 38 21.395 31.492 9.334 1.00 5.91 O ATOM 500 CB LYS A 38 20.502 31.880 6.448 1.00 6.36 C ATOM 501 CG LYS A 38 21.878 31.794 5.828 1.00 7.66 C ATOM 502 CD LYS A 38 22.004 32.668 4.596 1.00 10.84 C ATOM 503 CE LYS A 38 23.425 32.609 4.065 1.00 12.93 C ATOM 504 NZ LYS A 38 24.395 33.210 5.010 1.00 16.31 N ATOM 505 HA LYS A 38 20.200 29.811 6.828 1.00 0.00 H ATOM 506 HB2 LYS A 38 19.762 31.867 5.648 1.00 0.00 H ATOM 507 HB3 LYS A 38 20.428 32.820 6.995 1.00 0.00 H ATOM 508 HG2 LYS A 38 22.616 32.114 6.564 1.00 0.00 H ATOM 509 HG3 LYS A 38 22.073 30.759 5.547 1.00 0.00 H ATOM 510 HD2 LYS A 38 21.316 32.313 3.829 1.00 0.00 H ATOM 511 HD3 LYS A 38 21.757 33.697 4.856 1.00 0.00 H ATOM 512 HE2 LYS A 38 23.471 33.151 3.120 1.00 0.00 H ATOM 513 HE3 LYS A 38 23.696 31.566 3.898 1.00 0.00 H ATOM 514 HZ1 LYS A 38 24.148 34.208 5.170 1.00 0.00 H ATOM 515 HZ2 LYS A 38 24.363 32.694 5.913 1.00 0.00 H ATOM 516 HZ3 LYS A 38 25.352 33.149 4.608 1.00 0.00 H ATOM 517 H LYS A 38 18.777 31.412 8.907 1.00 0.00 H ATOM 518 N GLY A 39 21.988 29.506 8.480 1.00 5.94 N ATOM 519 CA GLY A 39 23.041 29.296 9.460 1.00 6.67 C ATOM 520 C GLY A 39 24.378 29.868 9.036 1.00 7.10 C ATOM 521 O GLY A 39 24.698 29.930 7.846 1.00 7.25 O ATOM 522 HA3 GLY A 39 23.158 28.224 9.618 1.00 0.00 H ATOM 523 HA2 GLY A 39 22.743 29.770 10.395 1.00 0.00 H ATOM 524 H GLY A 39 21.811 28.783 7.754 1.00 0.00 H ATOM 525 N SER A 40 25.157 30.286 10.028 1.00 7.29 N ATOM 526 CA SER A 40 26.525 30.756 9.818 1.00 8.17 C ATOM 527 C SER A 40 27.295 30.476 11.099 1.00 8.34 C ATOM 528 O SER A 40 26.714 30.046 12.093 1.00 8.11 O ATOM 529 CB SER A 40 26.546 32.250 9.487 1.00 8.51 C ATOM 530 OG SER A 40 25.985 32.997 10.551 1.00 9.71 O ATOM 531 HA SER A 40 26.981 30.240 8.973 1.00 0.00 H ATOM 532 HB2 SER A 40 25.968 32.426 8.580 1.00 0.00 H ATOM 533 HB3 SER A 40 27.576 32.569 9.327 1.00 0.00 H ATOM 534 HG SER A 40 26.005 33.960 10.323 1.00 0.00 H ATOM 535 H SER A 40 24.777 30.278 10.996 1.00 0.00 H ATOM 536 N ASN A 41 28.606 30.709 11.072 1.00 8.72 N ATOM 537 CA ASN A 41 29.448 30.530 12.255 1.00 9.42 C ATOM 538 C ASN A 41 29.262 29.138 12.869 1.00 8.87 C ATOM 539 O ASN A 41 28.988 28.989 14.066 1.00 9.22 O ATOM 540 CB ASN A 41 29.180 31.647 13.280 1.00 10.44 C ATOM 541 CG ASN A 41 29.377 33.041 12.697 1.00 13.48 C ATOM 542 OD1 ASN A 41 30.279 33.266 11.891 1.00 16.27 O ATOM 543 ND2 ASN A 41 28.537 33.985 13.114 1.00 15.90 N ATOM 544 HA ASN A 41 30.491 30.602 11.946 1.00 0.00 H ATOM 545 HB2 ASN A 41 28.152 31.558 13.632 1.00 0.00 H ATOM 546 HB3 ASN A 41 29.863 31.521 14.120 1.00 0.00 H ATOM 547 HD22 ASN A 41 27.788 33.750 13.797 1.00 0.00 H ATOM 548 HD21 ASN A 41 28.629 34.958 12.757 1.00 0.00 H ATOM 549 H ASN A 41 29.044 31.027 10.184 1.00 0.00 H ATOM 550 N PHE A 42 29.386 28.121 12.022 1.00 8.64 N ATOM 551 CA PHE A 42 29.155 26.748 12.451 1.00 8.54 C ATOM 552 C PHE A 42 30.295 26.240 13.317 1.00 8.88 C ATOM 553 O PHE A 42 31.457 26.268 12.915 1.00 9.39 O ATOM 554 CB PHE A 42 28.982 25.826 11.246 1.00 8.53 C ATOM 555 CG PHE A 42 27.812 26.172 10.375 1.00 7.26 C ATOM 556 CD1 PHE A 42 26.514 25.887 10.786 1.00 7.06 C ATOM 557 CD2 PHE A 42 28.011 26.764 9.130 1.00 7.80 C ATOM 558 CE1 PHE A 42 25.428 26.193 9.974 1.00 7.21 C ATOM 559 CE2 PHE A 42 26.935 27.076 8.312 1.00 7.39 C ATOM 560 CZ PHE A 42 25.634 26.794 8.739 1.00 7.08 C ATOM 561 HA PHE A 42 28.239 26.743 13.042 1.00 0.00 H ATOM 562 HB2 PHE A 42 29.887 25.879 10.641 1.00 0.00 H ATOM 563 HB3 PHE A 42 28.849 24.807 11.610 1.00 0.00 H ATOM 564 HD2 PHE A 42 29.024 26.985 8.794 1.00 0.00 H ATOM 565 HE2 PHE A 42 27.103 27.539 7.340 1.00 0.00 H ATOM 566 HZ PHE A 42 24.784 27.045 8.105 1.00 0.00 H ATOM 567 HE1 PHE A 42 24.416 25.962 10.306 1.00 0.00 H ATOM 568 HD1 PHE A 42 26.347 25.418 11.756 1.00 0.00 H ATOM 569 H PHE A 42 29.653 28.309 11.035 1.00 0.00 H ATOM 570 N ASN A 43 29.945 25.785 14.509 1.00 8.68 N ATOM 571 CA ASN A 43 30.892 25.167 15.416 1.00 9.15 C ATOM 572 C ASN A 43 30.554 23.686 15.478 1.00 9.08 C ATOM 573 O ASN A 43 29.614 23.294 16.166 1.00 8.62 O ATOM 574 CB ASN A 43 30.775 25.817 16.796 1.00 9.70 C ATOM 575 CG ASN A 43 31.808 25.306 17.785 1.00 10.74 C ATOM 576 OD1 ASN A 43 32.207 24.140 17.755 1.00 11.17 O ATOM 577 ND2 ASN A 43 32.232 26.183 18.691 1.00 13.39 N ATOM 578 HA ASN A 43 31.918 25.300 15.074 1.00 0.00 H ATOM 579 HB2 ASN A 43 30.904 26.894 16.685 1.00 0.00 H ATOM 580 HB3 ASN A 43 29.781 25.610 17.194 1.00 0.00 H ATOM 581 HD22 ASN A 43 31.869 27.158 18.681 1.00 0.00 H ATOM 582 HD21 ASN A 43 32.926 25.894 19.410 1.00 0.00 H ATOM 583 H ASN A 43 28.953 25.874 14.807 1.00 0.00 H ATOM 584 N ASP A 44 31.304 22.871 14.739 1.00 9.52 N ATOM 585 CA ASP A 44 31.016 21.436 14.632 1.00 10.15 C ATOM 586 C ASP A 44 31.194 20.689 15.954 1.00 10.73 C ATOM 587 O ASP A 44 30.451 19.754 16.236 1.00 11.09 O ATOM 588 CB ASP A 44 31.873 20.768 13.544 1.00 10.15 C ATOM 589 CG ASP A 44 31.429 21.126 12.127 1.00 10.34 C ATOM 590 OD1 ASP A 44 30.220 21.325 11.868 1.00 10.52 O ATOM 591 OD2 ASP A 44 32.306 21.180 11.245 1.00 12.26 O ATOM 592 HA ASP A 44 29.964 21.370 14.354 1.00 0.00 H ATOM 593 HB2 ASP A 44 32.908 21.085 13.674 1.00 0.00 H ATOM 594 HB3 ASP A 44 31.807 19.687 13.666 1.00 0.00 H ATOM 595 H ASP A 44 32.117 23.263 14.223 1.00 0.00 H ATOM 596 N ALA A 45 32.172 21.110 16.753 1.00 11.27 N ATOM 597 CA ALA A 45 32.449 20.467 18.042 1.00 11.83 C ATOM 598 C ALA A 45 31.287 20.639 19.021 1.00 11.77 C ATOM 599 O ALA A 45 30.820 19.667 19.625 1.00 12.78 O ATOM 600 CB ALA A 45 33.732 21.019 18.644 1.00 12.37 C ATOM 601 HA ALA A 45 32.572 19.400 17.858 1.00 0.00 H ATOM 602 HB1 ALA A 45 34.563 20.827 17.965 1.00 0.00 H ATOM 603 HB2 ALA A 45 33.627 22.093 18.797 1.00 0.00 H ATOM 604 HB3 ALA A 45 33.923 20.531 19.600 1.00 0.00 H ATOM 605 H ALA A 45 32.756 21.917 16.455 1.00 0.00 H ATOM 606 N ALA A 46 30.818 21.877 19.144 1.00 11.32 N ATOM 607 CA ALA A 46 29.761 22.238 20.082 1.00 10.62 C ATOM 608 C ALA A 46 28.367 22.047 19.497 1.00 9.84 C ATOM 609 O ALA A 46 27.376 22.068 20.232 1.00 9.81 O ATOM 610 CB ALA A 46 29.936 23.675 20.526 1.00 10.88 C ATOM 611 HA ALA A 46 29.848 21.567 20.937 1.00 0.00 H ATOM 612 HB1 ALA A 46 30.904 23.788 21.013 1.00 0.00 H ATOM 613 HB2 ALA A 46 29.886 24.331 19.657 1.00 0.00 H ATOM 614 HB3 ALA A 46 29.143 23.937 21.226 1.00 0.00 H ATOM 615 H ALA A 46 31.224 22.623 18.543 1.00 0.00 H ATOM 616 N GLN A 47 28.301 21.859 18.178 1.00 9.09 N ATOM 617 CA GLN A 47 27.032 21.819 17.438 1.00 8.86 C ATOM 618 C GLN A 47 26.204 23.071 17.739 1.00 8.41 C ATOM 619 O GLN A 47 25.042 23.003 18.159 1.00 8.14 O ATOM 620 CB GLN A 47 26.273 20.513 17.700 1.00 8.94 C ATOM 621 CG GLN A 47 27.080 19.302 17.249 1.00 9.81 C ATOM 622 CD GLN A 47 26.312 18.006 17.284 1.00 10.50 C ATOM 623 OE1 GLN A 47 25.324 17.869 17.999 1.00 12.35 O ATOM 624 NE2 GLN A 47 26.764 17.038 16.497 1.00 11.91 N ATOM 625 HA GLN A 47 27.244 21.827 16.369 1.00 0.00 H ATOM 626 HB2 GLN A 47 26.071 20.428 18.768 1.00 0.00 H ATOM 627 HB3 GLN A 47 25.330 20.535 17.154 1.00 0.00 H ATOM 628 HG2 GLN A 47 27.415 19.475 16.226 1.00 0.00 H ATOM 629 HG3 GLN A 47 27.947 19.205 17.903 1.00 0.00 H ATOM 630 HE22 GLN A 47 27.606 17.198 15.907 1.00 0.00 H ATOM 631 HE21 GLN A 47 26.277 16.120 16.470 1.00 0.00 H ATOM 632 H GLN A 47 29.188 21.735 17.649 1.00 0.00 H ATOM 633 N THR A 48 26.844 24.221 17.547 1.00 8.28 N ATOM 634 CA THR A 48 26.175 25.509 17.660 1.00 8.58 C ATOM 635 C THR A 48 26.438 26.330 16.408 1.00 8.05 C ATOM 636 O THR A 48 27.439 26.129 15.713 1.00 8.25 O ATOM 637 CB THR A 48 26.652 26.324 18.885 1.00 8.69 C ATOM 638 OG1 THR A 48 28.045 26.644 18.744 1.00 9.95 O ATOM 639 CG2 THR A 48 26.406 25.561 20.184 1.00 10.15 C ATOM 640 HA THR A 48 25.112 25.303 17.783 1.00 0.00 H ATOM 641 HB THR A 48 26.077 27.249 18.930 1.00 0.00 H ATOM 642 HG1 THR A 48 28.344 27.165 19.531 1.00 0.00 H ATOM 643 HG23 THR A 48 25.345 25.328 20.272 1.00 0.00 H ATOM 644 HG21 THR A 48 26.983 24.636 20.175 1.00 0.00 H ATOM 645 HG22 THR A 48 26.715 26.176 21.029 1.00 0.00 H ATOM 646 H THR A 48 27.856 24.199 17.308 1.00 0.00 H ATOM 647 N ALA A 49 25.533 27.260 16.131 1.00 7.55 N ATOM 648 CA ALA A 49 25.647 28.145 14.979 1.00 7.37 C ATOM 649 C ALA A 49 24.937 29.456 15.272 1.00 7.59 C ATOM 650 O ALA A 49 24.179 29.563 16.231 1.00 8.34 O ATOM 651 CB ALA A 49 25.029 27.485 13.745 1.00 7.57 C ATOM 652 HA ALA A 49 26.701 28.340 14.783 1.00 0.00 H ATOM 653 HB1 ALA A 49 25.552 26.552 13.533 1.00 0.00 H ATOM 654 HB2 ALA A 49 23.976 27.278 13.934 1.00 0.00 H ATOM 655 HB3 ALA A 49 25.121 28.156 12.891 1.00 0.00 H ATOM 656 H ALA A 49 24.711 27.361 16.760 1.00 0.00 H ATOM 657 N THR A 50 25.191 30.457 14.442 1.00 7.56 N ATOM 658 CA THR A 50 24.350 31.634 14.395 1.00 7.96 C ATOM 659 C THR A 50 23.251 31.351 13.372 1.00 7.64 C ATOM 660 O THR A 50 23.541 30.890 12.266 1.00 7.79 O ATOM 661 CB THR A 50 25.158 32.864 13.961 1.00 8.04 C ATOM 662 OG1 THR A 50 26.160 33.146 14.947 1.00 9.81 O ATOM 663 CG2 THR A 50 24.250 34.088 13.802 1.00 9.68 C ATOM 664 HA THR A 50 23.934 31.845 15.380 1.00 0.00 H ATOM 665 HB THR A 50 25.624 32.649 13.000 1.00 0.00 H ATOM 666 HG1 THR A 50 26.764 32.366 15.034 1.00 0.00 H ATOM 667 HG23 THR A 50 23.487 33.878 13.053 1.00 0.00 H ATOM 668 HG21 THR A 50 23.773 34.311 14.756 1.00 0.00 H ATOM 669 HG22 THR A 50 24.847 34.943 13.484 1.00 0.00 H ATOM 670 H THR A 50 26.014 30.396 13.809 1.00 0.00 H ATOM 671 N TYR A 51 21.999 31.579 13.760 1.00 6.86 N ATOM 672 CA TYR A 51 20.881 31.596 12.819 1.00 6.45 C ATOM 673 C TYR A 51 20.465 33.030 12.549 1.00 6.45 C ATOM 674 O TYR A 51 20.342 33.840 13.474 1.00 6.58 O ATOM 675 CB TYR A 51 19.673 30.833 13.374 1.00 6.26 C ATOM 676 CG TYR A 51 19.387 29.489 12.729 1.00 5.44 C ATOM 677 CD1 TYR A 51 20.415 28.689 12.221 1.00 6.05 C ATOM 678 CD2 TYR A 51 18.079 29.002 12.665 1.00 5.76 C ATOM 679 CE1 TYR A 51 20.148 27.444 11.647 1.00 4.24 C ATOM 680 CE2 TYR A 51 17.796 27.761 12.089 1.00 5.78 C ATOM 681 CZ TYR A 51 18.832 26.985 11.586 1.00 4.83 C ATOM 682 OH TYR A 51 18.545 25.767 11.019 1.00 5.78 O ATOM 683 HA TYR A 51 21.211 31.112 11.900 1.00 0.00 H ATOM 684 HB3 TYR A 51 18.792 31.461 13.244 1.00 0.00 H ATOM 685 HB2 TYR A 51 19.843 30.664 14.437 1.00 0.00 H ATOM 686 HD2 TYR A 51 17.264 29.601 13.072 1.00 0.00 H ATOM 687 HE2 TYR A 51 16.768 27.404 12.035 1.00 0.00 H ATOM 688 HE1 TYR A 51 20.961 26.836 11.250 1.00 0.00 H ATOM 689 HD1 TYR A 51 21.444 29.044 12.274 1.00 0.00 H ATOM 690 HH TYR A 51 19.384 25.341 10.712 1.00 0.00 H ATOM 691 H TYR A 51 21.809 31.751 14.768 1.00 0.00 H ATOM 692 N THR A 52 20.285 33.343 11.273 1.00 6.34 N ATOM 693 CA THR A 52 19.604 34.558 10.853 1.00 6.47 C ATOM 694 C THR A 52 18.276 34.100 10.271 1.00 6.45 C ATOM 695 O THR A 52 18.245 33.218 9.411 1.00 6.55 O ATOM 696 CB THR A 52 20.422 35.317 9.798 1.00 6.88 C ATOM 697 OG1 THR A 52 21.730 35.594 10.317 1.00 7.77 O ATOM 698 CG2 THR A 52 19.738 36.631 9.417 1.00 7.55 C ATOM 699 HA THR A 52 19.468 35.245 11.688 1.00 0.00 H ATOM 700 HB THR A 52 20.498 34.695 8.906 1.00 0.00 H ATOM 701 HG1 THR A 52 22.184 34.742 10.537 1.00 0.00 H ATOM 702 HG23 THR A 52 18.744 36.421 9.023 1.00 0.00 H ATOM 703 HG21 THR A 52 19.653 37.264 10.300 1.00 0.00 H ATOM 704 HG22 THR A 52 20.331 37.141 8.658 1.00 0.00 H ATOM 705 H THR A 52 20.645 32.694 10.544 1.00 0.00 H ATOM 706 N TYR A 53 17.180 34.670 10.753 1.00 6.64 N ATOM 707 CA TYR A 53 15.862 34.197 10.346 1.00 6.78 C ATOM 708 C TYR A 53 14.886 35.342 10.179 1.00 6.73 C ATOM 709 O TYR A 53 15.096 36.433 10.702 1.00 6.80 O ATOM 710 CB TYR A 53 15.324 33.163 11.340 1.00 7.75 C ATOM 711 CG TYR A 53 14.941 33.738 12.689 1.00 7.78 C ATOM 712 CD1 TYR A 53 13.658 34.234 12.915 1.00 8.78 C ATOM 713 CD2 TYR A 53 15.858 33.782 13.740 1.00 8.28 C ATOM 714 CE1 TYR A 53 13.292 34.765 14.145 1.00 9.35 C ATOM 715 CE2 TYR A 53 15.502 34.308 14.979 1.00 9.30 C ATOM 716 CZ TYR A 53 14.221 34.802 15.173 1.00 9.34 C ATOM 717 OH TYR A 53 13.855 35.321 16.399 1.00 10.85 O ATOM 718 HA TYR A 53 15.971 33.715 9.375 1.00 0.00 H ATOM 719 HB3 TYR A 53 16.093 32.407 11.496 1.00 0.00 H ATOM 720 HB2 TYR A 53 14.441 32.696 10.904 1.00 0.00 H ATOM 721 HD2 TYR A 53 16.867 33.399 13.589 1.00 0.00 H ATOM 722 HE2 TYR A 53 16.227 34.331 15.793 1.00 0.00 H ATOM 723 HE1 TYR A 53 12.284 35.149 14.300 1.00 0.00 H ATOM 724 HD1 TYR A 53 12.926 34.204 12.108 1.00 0.00 H ATOM 725 HH TYR A 53 13.948 34.621 17.093 1.00 0.00 H ATOM 726 H TYR A 53 17.261 35.459 11.425 1.00 0.00 H ATOM 727 N GLY A 54 13.807 35.075 9.459 1.00 6.47 N ATOM 728 CA GLY A 54 12.808 36.088 9.192 1.00 6.67 C ATOM 729 C GLY A 54 11.855 35.648 8.108 1.00 6.90 C ATOM 730 O GLY A 54 11.681 34.455 7.848 1.00 6.43 O ATOM 731 HA3 GLY A 54 13.307 37.004 8.876 1.00 0.00 H ATOM 732 HA2 GLY A 54 12.244 36.279 10.105 1.00 0.00 H ATOM 733 H GLY A 54 13.675 34.117 9.077 1.00 0.00 H ATOM 734 N ASN A 55 11.249 36.640 7.471 1.00 7.39 N ATOM 735 CA ASN A 55 10.265 36.434 6.417 1.00 7.88 C ATOM 736 C ASN A 55 10.174 37.728 5.615 1.00 8.61 C ATOM 737 O ASN A 55 10.969 38.642 5.827 1.00 8.40 O ATOM 738 CB ASN A 55 8.913 36.053 7.033 1.00 8.13 C ATOM 739 CG ASN A 55 8.458 37.038 8.107 1.00 8.34 C ATOM 740 OD1 ASN A 55 8.591 38.252 7.949 1.00 10.03 O ATOM 741 ND2 ASN A 55 7.918 36.514 9.199 1.00 9.68 N ATOM 742 HA ASN A 55 10.557 35.617 5.757 1.00 0.00 H ATOM 743 HB2 ASN A 55 8.163 36.028 6.242 1.00 0.00 H ATOM 744 HB3 ASN A 55 9.000 35.063 7.481 1.00 0.00 H ATOM 745 HD22 ASN A 55 7.826 35.482 9.290 1.00 0.00 H ATOM 746 HD21 ASN A 55 7.587 37.135 9.965 1.00 0.00 H ATOM 747 H ASN A 55 11.489 37.616 7.738 1.00 0.00 H ATOM 748 N LEU A 56 9.216 37.820 4.702 1.00 9.39 N ATOM 749 CA LEU A 56 9.083 39.028 3.901 1.00 10.73 C ATOM 750 C LEU A 56 8.513 40.171 4.729 1.00 11.59 C ATOM 751 O LEU A 56 7.412 40.064 5.274 1.00 12.44 O ATOM 752 CB LEU A 56 8.213 38.775 2.670 1.00 10.81 C ATOM 753 CG LEU A 56 8.191 39.904 1.636 1.00 12.02 C ATOM 754 CD1 LEU A 56 9.564 40.131 1.023 1.00 12.20 C ATOM 755 CD2 LEU A 56 7.188 39.562 0.557 1.00 14.06 C ATOM 756 HA LEU A 56 10.079 39.314 3.563 1.00 0.00 H ATOM 757 HB2 LEU A 56 8.581 37.875 2.177 1.00 0.00 H ATOM 758 HB3 LEU A 56 7.190 38.610 3.009 1.00 0.00 H ATOM 759 HG LEU A 56 7.903 40.828 2.137 1.00 0.00 H ATOM 760 HD21 LEU A 56 7.478 38.628 0.076 1.00 0.00 H ATOM 761 HD22 LEU A 56 6.200 39.451 1.003 1.00 0.00 H ATOM 762 HD23 LEU A 56 7.166 40.361 -0.184 1.00 0.00 H ATOM 763 HD11 LEU A 56 10.272 40.397 1.808 1.00 0.00 H ATOM 764 HD12 LEU A 56 9.895 39.218 0.528 1.00 0.00 H ATOM 765 HD13 LEU A 56 9.506 40.940 0.295 1.00 0.00 H ATOM 766 H LEU A 56 8.558 37.027 4.558 1.00 0.00 H ATOM 767 N GLY A 57 9.289 41.246 4.841 1.00 12.41 N ATOM 768 CA GLY A 57 8.826 42.480 5.475 1.00 14.16 C ATOM 769 C GLY A 57 8.393 43.487 4.428 1.00 15.57 C ATOM 770 O GLY A 57 7.999 43.115 3.324 1.00 16.07 O ATOM 771 HA3 GLY A 57 9.636 42.905 6.068 1.00 0.00 H ATOM 772 HA2 GLY A 57 7.981 42.254 6.126 1.00 0.00 H ATOM 773 H GLY A 57 10.258 41.207 4.465 1.00 0.00 H ATOM 774 N SER A 58 8.482 44.768 4.773 1.00 16.42 N ATOM 775 CA SER A 58 8.127 45.844 3.850 1.00 17.11 C ATOM 776 C SER A 58 9.249 46.124 2.855 1.00 17.21 C ATOM 777 O SER A 58 10.381 45.665 3.029 1.00 17.55 O ATOM 778 CB SER A 58 7.783 47.114 4.629 1.00 17.47 C ATOM 779 OG SER A 58 8.911 47.593 5.339 1.00 19.21 O ATOM 780 HA SER A 58 7.253 45.522 3.283 1.00 0.00 H ATOM 781 HB2 SER A 58 6.983 46.894 5.336 1.00 0.00 H ATOM 782 HB3 SER A 58 7.448 47.881 3.931 1.00 0.00 H ATOM 783 HG SER A 58 9.216 46.900 5.977 1.00 0.00 H ATOM 784 H SER A 58 8.814 45.011 5.728 1.00 0.00 H ATOM 785 N GLY A 59 8.927 46.872 1.802 1.00 17.38 N ATOM 786 CA GLY A 59 9.917 47.287 0.805 1.00 17.27 C ATOM 787 C GLY A 59 10.515 46.143 0.010 1.00 17.02 C ATOM 788 O GLY A 59 11.610 46.269 -0.548 1.00 17.39 O ATOM 789 HA3 GLY A 59 10.726 47.805 1.321 1.00 0.00 H ATOM 790 HA2 GLY A 59 9.434 47.972 0.108 1.00 0.00 H ATOM 791 H GLY A 59 7.938 47.172 1.683 1.00 0.00 H ATOM 792 N ASN A 60 9.781 45.030 -0.043 1.00 16.76 N ATOM 793 CA ASN A 60 10.226 43.793 -0.687 1.00 16.35 C ATOM 794 C ASN A 60 11.573 43.297 -0.151 1.00 15.63 C ATOM 795 O ASN A 60 12.390 42.755 -0.897 1.00 15.46 O ATOM 796 CB ASN A 60 10.249 43.932 -2.217 1.00 16.90 C ATOM 797 CG ASN A 60 10.263 42.588 -2.922 1.00 17.89 C ATOM 798 OD1 ASN A 60 9.506 41.684 -2.570 1.00 19.02 O ATOM 799 ND2 ASN A 60 11.133 42.448 -3.917 1.00 18.67 N ATOM 800 HA ASN A 60 9.491 43.031 -0.430 1.00 0.00 H ATOM 801 HB2 ASN A 60 9.363 44.483 -2.532 1.00 0.00 H ATOM 802 HB3 ASN A 60 11.142 44.487 -2.505 1.00 0.00 H ATOM 803 HD22 ASN A 60 11.754 43.240 -4.180 1.00 0.00 H ATOM 804 HD21 ASN A 60 11.193 41.547 -4.432 1.00 0.00 H ATOM 805 H ASN A 60 8.839 45.042 0.398 1.00 0.00 H ATOM 806 N GLN A 61 11.781 43.490 1.151 1.00 15.13 N ATOM 807 CA GLN A 61 13.008 43.071 1.823 1.00 14.67 C ATOM 808 C GLN A 61 12.703 42.056 2.914 1.00 13.30 C ATOM 809 O GLN A 61 11.701 42.175 3.621 1.00 13.20 O ATOM 810 CB GLN A 61 13.725 44.274 2.442 1.00 15.19 C ATOM 811 CG GLN A 61 14.223 45.311 1.440 1.00 16.33 C ATOM 812 CD GLN A 61 15.533 44.927 0.773 1.00 25.31 C ATOM 813 OE1 GLN A 61 15.652 43.860 0.166 1.00 19.33 O ATOM 814 NE2 GLN A 61 16.525 45.804 0.878 1.00 18.56 N ATOM 815 HA GLN A 61 13.655 42.613 1.075 1.00 0.00 H ATOM 816 HB2 GLN A 61 13.032 44.767 3.124 1.00 0.00 H ATOM 817 HB3 GLN A 61 14.584 43.905 3.003 1.00 0.00 H ATOM 818 HG2 GLN A 61 13.465 45.436 0.667 1.00 0.00 H ATOM 819 HG3 GLN A 61 14.366 46.256 1.963 1.00 0.00 H ATOM 820 HE22 GLN A 61 16.381 46.692 1.400 1.00 0.00 H ATOM 821 HE21 GLN A 61 17.446 45.603 0.439 1.00 0.00 H ATOM 822 H GLN A 61 11.040 43.958 1.711 1.00 0.00 H ATOM 823 N LEU A 62 13.574 41.061 3.050 1.00 11.86 N ATOM 824 CA LEU A 62 13.460 40.094 4.140 1.00 10.61 C ATOM 825 C LEU A 62 13.814 40.740 5.469 1.00 10.18 C ATOM 826 O LEU A 62 14.757 41.532 5.558 1.00 10.23 O ATOM 827 CB LEU A 62 14.371 38.885 3.907 1.00 10.39 C ATOM 828 CG LEU A 62 14.062 37.962 2.722 1.00 9.63 C ATOM 829 CD1 LEU A 62 15.137 36.894 2.577 1.00 10.99 C ATOM 830 CD2 LEU A 62 12.679 37.322 2.842 1.00 9.66 C ATOM 831 HA LEU A 62 12.425 39.754 4.167 1.00 0.00 H ATOM 832 HB2 LEU A 62 15.383 39.265 3.766 1.00 0.00 H ATOM 833 HB3 LEU A 62 14.336 38.275 4.810 1.00 0.00 H ATOM 834 HG LEU A 62 14.058 38.578 1.823 1.00 0.00 H ATOM 835 HD21 LEU A 62 12.632 36.731 3.757 1.00 0.00 H ATOM 836 HD22 LEU A 62 11.920 38.104 2.873 1.00 0.00 H ATOM 837 HD23 LEU A 62 12.503 36.677 1.981 1.00 0.00 H ATOM 838 HD11 LEU A 62 16.102 37.372 2.410 1.00 0.00 H ATOM 839 HD12 LEU A 62 15.179 36.297 3.488 1.00 0.00 H ATOM 840 HD13 LEU A 62 14.897 36.251 1.730 1.00 0.00 H ATOM 841 H LEU A 62 14.353 40.969 2.367 1.00 0.00 H ATOM 842 N THR A 63 13.046 40.404 6.497 1.00 9.04 N ATOM 843 CA THR A 63 13.419 40.753 7.860 1.00 8.84 C ATOM 844 C THR A 63 14.582 39.859 8.286 1.00 8.58 C ATOM 845 O THR A 63 14.777 38.765 7.729 1.00 8.69 O ATOM 846 CB THR A 63 12.237 40.610 8.848 1.00 8.52 C ATOM 847 OG1 THR A 63 11.902 39.226 9.012 1.00 8.04 O ATOM 848 CG2 THR A 63 11.010 41.368 8.356 1.00 9.76 C ATOM 849 HA THR A 63 13.715 41.802 7.882 1.00 0.00 H ATOM 850 HB THR A 63 12.547 41.034 9.803 1.00 0.00 H ATOM 851 HG1 THR A 63 11.145 39.144 9.645 1.00 0.00 H ATOM 852 HG23 THR A 63 11.261 42.421 8.230 1.00 0.00 H ATOM 853 HG21 THR A 63 10.687 40.954 7.401 1.00 0.00 H ATOM 854 HG22 THR A 63 10.207 41.270 9.086 1.00 0.00 H ATOM 855 H THR A 63 12.163 39.882 6.326 1.00 0.00 H ATOM 856 N GLN A 64 15.363 40.332 9.253 1.00 8.49 N ATOM 857 CA GLN A 64 16.472 39.557 9.808 1.00 9.12 C ATOM 858 C GLN A 64 16.499 39.725 11.310 1.00 9.22 C ATOM 859 O GLN A 64 16.461 40.848 11.814 1.00 10.63 O ATOM 860 CB GLN A 64 17.821 40.018 9.251 1.00 9.23 C ATOM 861 CG GLN A 64 17.988 39.882 7.747 1.00 10.25 C ATOM 862 CD GLN A 64 19.374 40.283 7.282 1.00 10.53 C ATOM 863 OE1 GLN A 64 20.369 39.991 7.941 1.00 13.71 O ATOM 864 NE2 GLN A 64 19.441 40.946 6.139 1.00 12.45 N ATOM 865 HA GLN A 64 16.316 38.514 9.531 1.00 0.00 H ATOM 866 HB2 GLN A 64 17.950 41.069 9.510 1.00 0.00 H ATOM 867 HB3 GLN A 64 18.602 39.428 9.731 1.00 0.00 H ATOM 868 HG2 GLN A 64 17.811 38.843 7.467 1.00 0.00 H ATOM 869 HG3 GLN A 64 17.255 40.520 7.254 1.00 0.00 H ATOM 870 HE22 GLN A 64 18.570 41.171 5.616 1.00 0.00 H ATOM 871 HE21 GLN A 64 20.364 41.243 5.763 1.00 0.00 H ATOM 872 H GLN A 64 15.179 41.285 9.627 1.00 0.00 H ATOM 873 N GLN A 65 16.556 38.603 12.013 1.00 8.56 N ATOM 874 CA GLN A 65 16.833 38.577 13.440 1.00 8.47 C ATOM 875 C GLN A 65 17.842 37.455 13.638 1.00 7.99 C ATOM 876 O GLN A 65 17.840 36.475 12.890 1.00 8.30 O ATOM 877 CB GLN A 65 15.551 38.323 14.246 1.00 8.40 C ATOM 878 CG GLN A 65 15.765 38.266 15.770 1.00 9.04 C ATOM 879 CD GLN A 65 14.482 38.364 16.582 1.00 8.90 C ATOM 880 OE1 GLN A 65 13.390 38.541 16.040 1.00 10.55 O ATOM 881 NE2 GLN A 65 14.615 38.252 17.894 1.00 9.36 N ATOM 882 HA GLN A 65 17.224 39.532 13.792 1.00 0.00 H ATOM 883 HB2 GLN A 65 14.846 39.125 14.029 1.00 0.00 H ATOM 884 HB3 GLN A 65 15.127 37.372 13.924 1.00 0.00 H ATOM 885 HG2 GLN A 65 16.252 37.322 16.012 1.00 0.00 H ATOM 886 HG3 GLN A 65 16.415 39.093 16.056 1.00 0.00 H ATOM 887 HE22 GLN A 65 15.556 38.103 18.310 1.00 0.00 H ATOM 888 HE21 GLN A 65 13.778 38.313 18.509 1.00 0.00 H ATOM 889 H GLN A 65 16.395 37.701 11.522 1.00 0.00 H ATOM 890 N THR A 66 18.726 37.597 14.618 1.00 7.69 N ATOM 891 CA THR A 66 19.698 36.541 14.869 1.00 7.84 C ATOM 892 C THR A 66 19.399 35.824 16.176 1.00 7.65 C ATOM 893 O THR A 66 18.712 36.354 17.046 1.00 7.41 O ATOM 894 CB THR A 66 21.152 37.055 14.851 1.00 8.06 C ATOM 895 OG1 THR A 66 21.341 37.983 15.922 1.00 8.90 O ATOM 896 CG2 THR A 66 21.480 37.720 13.516 1.00 8.84 C ATOM 897 HA THR A 66 19.602 35.829 14.049 1.00 0.00 H ATOM 898 HB THR A 66 21.825 36.207 14.979 1.00 0.00 H ATOM 899 HG1 THR A 66 20.719 38.745 15.810 1.00 0.00 H ATOM 900 HG23 THR A 66 21.332 37.003 12.708 1.00 0.00 H ATOM 901 HG21 THR A 66 20.823 38.577 13.367 1.00 0.00 H ATOM 902 HG22 THR A 66 22.518 38.053 13.523 1.00 0.00 H ATOM 903 H THR A 66 18.725 38.457 15.203 1.00 0.00 H ATOM 904 N ALA A 67 19.898 34.597 16.285 1.00 7.59 N ATOM 905 CA ALA A 67 19.799 33.807 17.504 1.00 8.28 C ATOM 906 C ALA A 67 20.878 32.747 17.441 1.00 8.72 C ATOM 907 O ALA A 67 21.338 32.388 16.355 1.00 9.36 O ATOM 908 CB ALA A 67 18.429 33.152 17.616 1.00 8.71 C ATOM 909 HA ALA A 67 19.928 34.445 18.378 1.00 0.00 H ATOM 910 HB1 ALA A 67 17.659 33.923 17.634 1.00 0.00 H ATOM 911 HB2 ALA A 67 18.269 32.497 16.759 1.00 0.00 H ATOM 912 HB3 ALA A 67 18.381 32.568 18.535 1.00 0.00 H ATOM 913 H ALA A 67 20.381 34.182 15.462 1.00 0.00 H ATOM 914 N SER A 68 21.294 32.254 18.599 1.00 9.46 N ATOM 915 CA SER A 68 22.128 31.071 18.637 1.00 10.63 C ATOM 916 C SER A 68 21.245 29.884 18.286 1.00 10.53 C ATOM 917 O SER A 68 20.118 29.770 18.772 1.00 12.19 O ATOM 918 CB SER A 68 22.747 30.895 20.018 1.00 11.22 C ATOM 919 OG SER A 68 23.688 31.915 20.264 1.00 14.61 O ATOM 920 HA SER A 68 22.950 31.158 17.926 1.00 0.00 H ATOM 921 HB2 SER A 68 23.244 29.926 20.069 1.00 0.00 H ATOM 922 HB3 SER A 68 21.962 30.939 20.773 1.00 0.00 H ATOM 923 HG SER A 68 24.403 31.875 19.581 1.00 0.00 H ATOM 924 H SER A 68 21.019 32.720 19.487 1.00 0.00 H ATOM 925 N ALA A 69 21.728 29.038 17.391 1.00 9.34 N ATOM 926 CA ALA A 69 21.064 27.776 17.106 1.00 8.56 C ATOM 927 C ALA A 69 21.912 26.665 17.700 1.00 8.41 C ATOM 928 O ALA A 69 23.142 26.725 17.665 1.00 8.80 O ATOM 929 CB ALA A 69 20.896 27.592 15.621 1.00 9.09 C ATOM 930 HA ALA A 69 20.067 27.761 17.546 1.00 0.00 H ATOM 931 HB1 ALA A 69 20.294 28.408 15.221 1.00 0.00 H ATOM 932 HB2 ALA A 69 21.876 27.593 15.143 1.00 0.00 H ATOM 933 HB3 ALA A 69 20.397 26.642 15.428 1.00 0.00 H ATOM 934 H ALA A 69 22.601 29.281 16.880 1.00 0.00 H ATOM 935 N SER A 70 21.255 25.669 18.278 1.00 7.47 N ATOM 936 CA SER A 70 21.949 24.544 18.892 1.00 7.34 C ATOM 937 C SER A 70 21.141 23.269 18.702 1.00 6.76 C ATOM 938 O SER A 70 20.122 23.268 18.013 1.00 6.84 O ATOM 939 CB SER A 70 22.196 24.816 20.380 1.00 7.71 C ATOM 940 OG SER A 70 20.980 24.994 21.077 1.00 8.52 O ATOM 941 HA SER A 70 22.917 24.417 18.406 1.00 0.00 H ATOM 942 HB2 SER A 70 22.799 25.718 20.481 1.00 0.00 H ATOM 943 HB3 SER A 70 22.733 23.971 20.812 1.00 0.00 H ATOM 944 HG SER A 70 20.490 25.763 20.692 1.00 0.00 H ATOM 945 H SER A 70 20.215 25.691 18.294 1.00 0.00 H ATOM 946 N ILE A 71 21.607 22.188 19.315 1.00 6.51 N ATOM 947 CA ILE A 71 20.976 20.879 19.182 1.00 6.56 C ATOM 948 C ILE A 71 20.633 20.349 20.564 1.00 6.97 C ATOM 949 O ILE A 71 21.452 20.403 21.490 1.00 7.68 O ATOM 950 CB ILE A 71 21.916 19.866 18.452 1.00 6.48 C ATOM 951 CG1 ILE A 71 22.262 20.348 17.033 1.00 6.46 C ATOM 952 CG2 ILE A 71 21.314 18.454 18.424 1.00 7.27 C ATOM 953 CD1 ILE A 71 21.064 20.553 16.111 1.00 6.75 C ATOM 954 HA ILE A 71 20.071 20.991 18.585 1.00 0.00 H ATOM 955 HB ILE A 71 22.843 19.816 19.023 1.00 0.00 H ATOM 956 HG12 ILE A 71 22.790 21.298 17.118 1.00 0.00 H ATOM 957 HG13 ILE A 71 22.919 19.608 16.575 1.00 0.00 H ATOM 958 HD11 ILE A 71 20.528 19.611 15.999 1.00 0.00 H ATOM 959 HD12 ILE A 71 20.399 21.302 16.542 1.00 0.00 H ATOM 960 HD13 ILE A 71 21.412 20.893 15.135 1.00 0.00 H ATOM 961 HG21 ILE A 71 21.160 18.106 19.445 1.00 0.00 H ATOM 962 HG22 ILE A 71 20.359 18.478 17.899 1.00 0.00 H ATOM 963 HG23 ILE A 71 21.997 17.779 17.908 1.00 0.00 H ATOM 964 H ILE A 71 22.454 22.277 19.912 1.00 0.00 H ATOM 965 N SER A 72 19.412 19.853 20.700 1.00 7.06 N ATOM 966 CA SER A 72 19.010 19.128 21.897 1.00 7.78 C ATOM 967 C SER A 72 18.303 17.870 21.434 1.00 7.49 C ATOM 968 O SER A 72 17.272 17.940 20.770 1.00 7.39 O ATOM 969 CB SER A 72 18.088 19.968 22.778 1.00 8.54 C ATOM 970 OG SER A 72 17.772 19.267 23.967 1.00 10.54 O ATOM 971 HA SER A 72 19.884 18.888 22.503 1.00 0.00 H ATOM 972 HB2 SER A 72 17.169 20.185 22.233 1.00 0.00 H ATOM 973 HB3 SER A 72 18.587 20.903 23.033 1.00 0.00 H ATOM 974 HG SER A 72 18.605 19.071 24.465 1.00 0.00 H ATOM 975 H SER A 72 18.723 19.985 19.932 1.00 0.00 H ATOM 976 N GLY A 73 18.874 16.719 21.771 1.00 7.49 N ATOM 977 CA GLY A 73 18.383 15.448 21.254 1.00 7.55 C ATOM 978 C GLY A 73 18.361 15.526 19.740 1.00 7.42 C ATOM 979 O GLY A 73 19.354 15.893 19.111 1.00 7.62 O ATOM 980 HA3 GLY A 73 17.376 15.262 21.628 1.00 0.00 H ATOM 981 HA2 GLY A 73 19.043 14.641 21.572 1.00 0.00 H ATOM 982 H GLY A 73 19.689 16.725 22.417 1.00 0.00 H ATOM 983 N ASN A 74 17.209 15.226 19.156 1.00 7.14 N ATOM 984 CA ASN A 74 17.076 15.235 17.704 1.00 7.57 C ATOM 985 C ASN A 74 16.348 16.494 17.209 1.00 6.90 C ATOM 986 O ASN A 74 15.684 16.487 16.171 1.00 6.64 O ATOM 987 CB ASN A 74 16.391 13.936 17.264 1.00 8.27 C ATOM 988 CG ASN A 74 16.297 13.801 15.785 1.00 10.55 C ATOM 989 OD1 ASN A 74 17.273 13.993 15.063 1.00 13.82 O ATOM 990 ND2 ASN A 74 15.105 13.461 15.310 1.00 13.24 N ATOM 991 HA ASN A 74 18.063 15.275 17.244 1.00 0.00 H ATOM 992 HB2 ASN A 74 16.961 13.093 17.655 1.00 0.00 H ATOM 993 HB3 ASN A 74 15.384 13.916 17.680 1.00 0.00 H ATOM 994 HD22 ASN A 74 14.309 13.309 15.962 1.00 0.00 H ATOM 995 HD21 ASN A 74 14.967 13.346 14.286 1.00 0.00 H ATOM 996 H ASN A 74 16.387 14.980 19.743 1.00 0.00 H ATOM 997 N ALA A 75 16.494 17.583 17.958 1.00 6.16 N ATOM 998 CA ALA A 75 15.847 18.852 17.621 1.00 5.84 C ATOM 999 C ALA A 75 16.836 19.981 17.381 1.00 5.53 C ATOM 1000 O ALA A 75 17.867 20.083 18.064 1.00 5.85 O ATOM 1001 CB ALA A 75 14.857 19.251 18.708 1.00 6.32 C ATOM 1002 HA ALA A 75 15.318 18.687 16.682 1.00 0.00 H ATOM 1003 HB1 ALA A 75 14.094 18.478 18.804 1.00 0.00 H ATOM 1004 HB2 ALA A 75 15.385 19.362 19.655 1.00 0.00 H ATOM 1005 HB3 ALA A 75 14.386 20.197 18.440 1.00 0.00 H ATOM 1006 H ALA A 75 17.087 17.531 18.811 1.00 0.00 H ATOM 1007 N ILE A 76 16.493 20.819 16.406 1.00 5.31 N ATOM 1008 CA ILE A 76 17.174 22.083 16.163 1.00 5.69 C ATOM 1009 C ILE A 76 16.546 23.127 17.080 1.00 5.91 C ATOM 1010 O ILE A 76 15.330 23.363 17.048 1.00 6.00 O ATOM 1011 CB ILE A 76 17.067 22.516 14.682 1.00 5.33 C ATOM 1012 CG1 ILE A 76 17.776 21.497 13.777 1.00 5.67 C ATOM 1013 CG2 ILE A 76 17.643 23.927 14.489 1.00 6.06 C ATOM 1014 CD1 ILE A 76 17.480 21.677 12.290 1.00 6.25 C ATOM 1015 HA ILE A 76 18.238 21.975 16.375 1.00 0.00 H ATOM 1016 HB ILE A 76 16.015 22.545 14.400 1.00 0.00 H ATOM 1017 HG12 ILE A 76 18.851 21.594 13.927 1.00 0.00 H ATOM 1018 HG13 ILE A 76 17.458 20.497 14.072 1.00 0.00 H ATOM 1019 HD11 ILE A 76 16.409 21.571 12.119 1.00 0.00 H ATOM 1020 HD12 ILE A 76 17.803 22.669 11.974 1.00 0.00 H ATOM 1021 HD13 ILE A 76 18.018 20.920 11.720 1.00 0.00 H ATOM 1022 HG21 ILE A 76 17.086 24.633 15.105 1.00 0.00 H ATOM 1023 HG22 ILE A 76 18.692 23.933 14.785 1.00 0.00 H ATOM 1024 HG23 ILE A 76 17.558 24.212 13.440 1.00 0.00 H ATOM 1025 H ILE A 76 15.699 20.558 15.787 1.00 0.00 H ATOM 1026 N VAL A 77 17.385 23.724 17.915 1.00 6.17 N ATOM 1027 CA VAL A 77 16.925 24.635 18.951 1.00 6.48 C ATOM 1028 C VAL A 77 17.232 26.083 18.572 1.00 6.48 C ATOM 1029 O VAL A 77 18.386 26.439 18.336 1.00 6.99 O ATOM 1030 CB VAL A 77 17.591 24.313 20.307 1.00 6.52 C ATOM 1031 CG1 VAL A 77 17.145 25.317 21.370 1.00 7.71 C ATOM 1032 CG2 VAL A 77 17.274 22.894 20.743 1.00 7.11 C ATOM 1033 HA VAL A 77 15.847 24.507 19.045 1.00 0.00 H ATOM 1034 HB VAL A 77 18.671 24.394 20.186 1.00 0.00 H ATOM 1035 HG11 VAL A 77 17.433 26.322 21.062 1.00 0.00 H ATOM 1036 HG12 VAL A 77 16.062 25.266 21.484 1.00 0.00 H ATOM 1037 HG13 VAL A 77 17.623 25.076 22.319 1.00 0.00 H ATOM 1038 HG21 VAL A 77 16.195 22.779 20.846 1.00 0.00 H ATOM 1039 HG22 VAL A 77 17.645 22.194 19.995 1.00 0.00 H ATOM 1040 HG23 VAL A 77 17.755 22.693 21.700 1.00 0.00 H ATOM 1041 H VAL A 77 18.404 23.535 17.826 1.00 0.00 H ATOM 1042 N VAL A 78 16.191 26.910 18.506 1.00 6.75 N ATOM 1043 CA VAL A 78 16.346 28.349 18.303 1.00 7.31 C ATOM 1044 C VAL A 78 15.414 29.023 19.303 1.00 7.26 C ATOM 1045 O VAL A 78 14.194 28.905 19.196 1.00 7.46 O ATOM 1046 CB VAL A 78 15.990 28.781 16.856 1.00 7.77 C ATOM 1047 CG1 VAL A 78 16.328 30.255 16.637 1.00 8.61 C ATOM 1048 CG2 VAL A 78 16.707 27.917 15.819 1.00 8.62 C ATOM 1049 HA VAL A 78 17.386 28.639 18.454 1.00 0.00 H ATOM 1050 HB VAL A 78 14.917 28.640 16.727 1.00 0.00 H ATOM 1051 HG11 VAL A 78 15.759 30.865 17.339 1.00 0.00 H ATOM 1052 HG12 VAL A 78 17.394 30.410 16.800 1.00 0.00 H ATOM 1053 HG13 VAL A 78 16.071 30.538 15.616 1.00 0.00 H ATOM 1054 HG21 VAL A 78 17.785 28.011 15.952 1.00 0.00 H ATOM 1055 HG22 VAL A 78 16.413 26.876 15.950 1.00 0.00 H ATOM 1056 HG23 VAL A 78 16.432 28.250 14.818 1.00 0.00 H ATOM 1057 H VAL A 78 15.233 26.518 18.602 1.00 0.00 H ATOM 1058 N GLY A 79 15.987 29.707 20.292 1.00 7.43 N ATOM 1059 CA GLY A 79 15.190 30.229 21.398 1.00 8.11 C ATOM 1060 C GLY A 79 14.477 29.069 22.079 1.00 7.79 C ATOM 1061 O GLY A 79 15.111 28.072 22.440 1.00 9.29 O ATOM 1062 HA3 GLY A 79 14.455 30.939 21.018 1.00 0.00 H ATOM 1063 HA2 GLY A 79 15.841 30.731 22.114 1.00 0.00 H ATOM 1064 H GLY A 79 17.014 29.871 20.276 1.00 0.00 H ATOM 1065 N THR A 80 13.160 29.184 22.232 1.00 7.75 N ATOM 1066 CA THR A 80 12.360 28.112 22.833 1.00 7.42 C ATOM 1067 C THR A 80 11.841 27.098 21.804 1.00 7.22 C ATOM 1068 O THR A 80 11.243 26.084 22.181 1.00 7.60 O ATOM 1069 CB THR A 80 11.174 28.669 23.659 1.00 7.02 C ATOM 1070 OG1 THR A 80 10.397 29.558 22.852 1.00 7.15 O ATOM 1071 CG2 THR A 80 11.673 29.403 24.906 1.00 7.31 C ATOM 1072 HA THR A 80 13.042 27.586 23.501 1.00 0.00 H ATOM 1073 HB THR A 80 10.554 27.831 23.979 1.00 0.00 H ATOM 1074 HG1 THR A 80 10.048 29.068 22.066 1.00 0.00 H ATOM 1075 HG23 THR A 80 12.264 28.720 25.516 1.00 0.00 H ATOM 1076 HG21 THR A 80 12.290 30.250 24.605 1.00 0.00 H ATOM 1077 HG22 THR A 80 10.819 29.760 25.482 1.00 0.00 H ATOM 1078 H THR A 80 12.687 30.055 21.918 1.00 0.00 H ATOM 1079 N ASP A 81 12.064 27.379 20.517 1.00 6.89 N ATOM 1080 CA ASP A 81 11.627 26.487 19.439 1.00 7.16 C ATOM 1081 C ASP A 81 12.561 25.293 19.342 1.00 6.84 C ATOM 1082 O ASP A 81 13.744 25.450 19.033 1.00 8.00 O ATOM 1083 CB ASP A 81 11.646 27.205 18.086 1.00 7.92 C ATOM 1084 CG ASP A 81 10.485 28.162 17.888 1.00 9.39 C ATOM 1085 OD1 ASP A 81 9.500 28.129 18.653 1.00 9.89 O ATOM 1086 OD2 ASP A 81 10.563 28.944 16.915 1.00 12.25 O ATOM 1087 HA ASP A 81 10.611 26.167 19.671 1.00 0.00 H ATOM 1088 HB2 ASP A 81 12.575 27.770 18.009 1.00 0.00 H ATOM 1089 HB3 ASP A 81 11.612 26.454 17.297 1.00 0.00 H ATOM 1090 H ASP A 81 12.563 28.258 20.272 1.00 0.00 H ATOM 1091 N HIS A 82 12.021 24.108 19.602 1.00 5.95 N ATOM 1092 CA HIS A 82 12.744 22.858 19.389 1.00 5.93 C ATOM 1093 C HIS A 82 12.088 22.133 18.227 1.00 5.68 C ATOM 1094 O HIS A 82 10.998 21.560 18.367 1.00 6.15 O ATOM 1095 CB HIS A 82 12.718 21.987 20.646 1.00 6.54 C ATOM 1096 CG HIS A 82 13.571 22.510 21.762 1.00 6.89 C ATOM 1097 ND1 HIS A 82 14.356 21.686 22.536 1.00 8.26 N ATOM 1098 CD2 HIS A 82 13.788 23.770 22.214 1.00 8.29 C ATOM 1099 CE1 HIS A 82 15.001 22.410 23.432 1.00 8.75 C ATOM 1100 NE2 HIS A 82 14.678 23.678 23.257 1.00 8.92 N ATOM 1101 HA HIS A 82 13.790 23.069 19.165 1.00 0.00 H ATOM 1102 HB2 HIS A 82 11.689 21.924 21.000 1.00 0.00 H ATOM 1103 HB3 HIS A 82 13.071 20.990 20.381 1.00 0.00 H ATOM 1104 HD2 HIS A 82 13.341 24.684 21.823 1.00 0.00 H ATOM 1105 HE1 HIS A 82 15.685 22.026 24.189 1.00 0.00 H ATOM 1106 H HIS A 82 11.049 24.069 19.970 1.00 0.00 H ATOM 1107 N SER A 83 12.741 22.201 17.068 1.00 5.16 N ATOM 1108 CA SER A 83 12.213 21.601 15.843 1.00 5.01 C ATOM 1109 C SER A 83 12.761 20.195 15.677 1.00 5.21 C ATOM 1110 O SER A 83 13.941 20.015 15.362 1.00 5.87 O ATOM 1111 CB SER A 83 12.558 22.467 14.629 1.00 5.41 C ATOM 1112 OG SER A 83 11.946 23.740 14.733 1.00 4.57 O ATOM 1113 HA SER A 83 11.127 21.544 15.917 1.00 0.00 H ATOM 1114 HB2 SER A 83 12.205 21.972 13.724 1.00 0.00 H ATOM 1115 HB3 SER A 83 13.639 22.593 14.574 1.00 0.00 H ATOM 1116 HG SER A 83 12.181 24.284 13.940 1.00 0.00 H ATOM 1117 H SER A 83 13.655 22.696 17.033 1.00 0.00 H ATOM 1118 N GLU A 84 11.913 19.198 15.912 1.00 5.24 N ATOM 1119 CA GLU A 84 12.338 17.802 15.820 1.00 5.69 C ATOM 1120 C GLU A 84 12.546 17.421 14.367 1.00 5.45 C ATOM 1121 O GLU A 84 11.665 17.629 13.539 1.00 5.18 O ATOM 1122 CB GLU A 84 11.305 16.871 16.451 1.00 6.33 C ATOM 1123 CG GLU A 84 11.728 15.405 16.412 1.00 10.02 C ATOM 1124 CD GLU A 84 10.778 14.480 17.127 1.00 16.58 C ATOM 1125 OE1 GLU A 84 9.773 14.960 17.688 1.00 18.12 O ATOM 1126 OE2 GLU A 84 11.042 13.257 17.123 1.00 17.99 O ATOM 1127 HA GLU A 84 13.276 17.696 16.365 1.00 0.00 H ATOM 1128 HB2 GLU A 84 11.160 17.164 17.491 1.00 0.00 H ATOM 1129 HB3 GLU A 84 10.364 16.977 15.911 1.00 0.00 H ATOM 1130 HG2 GLU A 84 11.793 15.093 15.370 1.00 0.00 H ATOM 1131 HG3 GLU A 84 12.710 15.317 16.878 1.00 0.00 H ATOM 1132 H GLU A 84 10.928 19.415 16.166 1.00 0.00 H ATOM 1133 N VAL A 85 13.706 16.853 14.062 1.00 5.53 N ATOM 1134 CA VAL A 85 14.015 16.461 12.691 1.00 6.08 C ATOM 1135 C VAL A 85 13.350 15.119 12.378 1.00 6.07 C ATOM 1136 O VAL A 85 13.720 14.082 12.927 1.00 7.01 O ATOM 1137 CB VAL A 85 15.540 16.415 12.443 1.00 6.26 C ATOM 1138 CG1 VAL A 85 15.844 15.882 11.056 1.00 6.80 C ATOM 1139 CG2 VAL A 85 16.133 17.797 12.632 1.00 6.86 C ATOM 1140 HA VAL A 85 13.614 17.214 12.013 1.00 0.00 H ATOM 1141 HB VAL A 85 15.994 15.737 13.166 1.00 0.00 H ATOM 1142 HG11 VAL A 85 15.441 14.874 10.959 1.00 0.00 H ATOM 1143 HG12 VAL A 85 15.385 16.531 10.310 1.00 0.00 H ATOM 1144 HG13 VAL A 85 16.923 15.859 10.905 1.00 0.00 H ATOM 1145 HG21 VAL A 85 15.673 18.488 11.926 1.00 0.00 H ATOM 1146 HG22 VAL A 85 15.943 18.136 13.650 1.00 0.00 H ATOM 1147 HG23 VAL A 85 17.208 17.757 12.456 1.00 0.00 H ATOM 1148 H VAL A 85 14.406 16.685 14.812 1.00 0.00 H ATOM 1149 N LEU A 86 12.353 15.140 11.502 1.00 5.67 N ATOM 1150 CA LEU A 86 11.671 13.910 11.094 1.00 5.70 C ATOM 1151 C LEU A 86 12.423 13.228 9.956 1.00 5.59 C ATOM 1152 O LEU A 86 12.620 12.017 9.974 1.00 6.12 O ATOM 1153 CB LEU A 86 10.216 14.196 10.718 1.00 5.87 C ATOM 1154 CG LEU A 86 9.380 14.923 11.779 1.00 6.11 C ATOM 1155 CD1 LEU A 86 7.943 15.099 11.307 1.00 7.77 C ATOM 1156 CD2 LEU A 86 9.417 14.225 13.129 1.00 8.06 C ATOM 1157 HA LEU A 86 11.662 13.223 11.940 1.00 0.00 H ATOM 1158 HB2 LEU A 86 10.218 14.809 9.817 1.00 0.00 H ATOM 1159 HB3 LEU A 86 9.732 13.243 10.507 1.00 0.00 H ATOM 1160 HG LEU A 86 9.830 15.906 11.916 1.00 0.00 H ATOM 1161 HD21 LEU A 86 9.022 13.214 13.025 1.00 0.00 H ATOM 1162 HD22 LEU A 86 10.446 14.180 13.485 1.00 0.00 H ATOM 1163 HD23 LEU A 86 8.809 14.782 13.841 1.00 0.00 H ATOM 1164 HD11 LEU A 86 7.933 15.685 10.388 1.00 0.00 H ATOM 1165 HD12 LEU A 86 7.501 14.120 11.120 1.00 0.00 H ATOM 1166 HD13 LEU A 86 7.370 15.617 12.076 1.00 0.00 H ATOM 1167 H LEU A 86 12.050 16.049 11.097 1.00 0.00 H ATOM 1168 N TYR A 87 12.831 14.014 8.962 1.00 4.70 N ATOM 1169 CA TYR A 87 13.764 13.546 7.938 1.00 5.01 C ATOM 1170 C TYR A 87 14.543 14.728 7.382 1.00 4.91 C ATOM 1171 O TYR A 87 13.956 15.759 7.070 1.00 5.47 O ATOM 1172 CB TYR A 87 13.068 12.832 6.761 1.00 5.42 C ATOM 1173 CG TYR A 87 14.080 12.537 5.677 1.00 4.74 C ATOM 1174 CD1 TYR A 87 14.874 11.384 5.728 1.00 5.29 C ATOM 1175 CD2 TYR A 87 14.320 13.461 4.651 1.00 5.10 C ATOM 1176 CE1 TYR A 87 15.853 11.144 4.770 1.00 5.92 C ATOM 1177 CE2 TYR A 87 15.299 13.233 3.694 1.00 5.27 C ATOM 1178 CZ TYR A 87 16.053 12.074 3.754 1.00 5.87 C ATOM 1179 OH TYR A 87 17.005 11.855 2.792 1.00 6.52 O ATOM 1180 HA TYR A 87 14.420 12.825 8.425 1.00 0.00 H ATOM 1181 HB3 TYR A 87 12.283 13.473 6.360 1.00 0.00 H ATOM 1182 HB2 TYR A 87 12.629 11.898 7.111 1.00 0.00 H ATOM 1183 HD2 TYR A 87 13.727 14.375 4.604 1.00 0.00 H ATOM 1184 HE2 TYR A 87 15.473 13.961 2.901 1.00 0.00 H ATOM 1185 HE1 TYR A 87 16.457 10.238 4.814 1.00 0.00 H ATOM 1186 HD1 TYR A 87 14.722 10.663 6.532 1.00 0.00 H ATOM 1187 HH TYR A 87 17.457 10.992 2.968 1.00 0.00 H ATOM 1188 H TYR A 87 12.476 14.990 8.912 1.00 0.00 H ATOM 1189 N SER A 88 15.853 14.558 7.219 1.00 4.82 N ATOM 1190 CA SER A 88 16.669 15.525 6.502 1.00 5.04 C ATOM 1191 C SER A 88 17.730 14.792 5.702 1.00 4.87 C ATOM 1192 O SER A 88 18.234 13.748 6.144 1.00 4.97 O ATOM 1193 CB SER A 88 17.327 16.507 7.469 1.00 5.18 C ATOM 1194 OG SER A 88 18.226 17.377 6.787 1.00 4.42 O ATOM 1195 HA SER A 88 16.029 16.093 5.828 1.00 0.00 H ATOM 1196 HB2 SER A 88 17.878 15.947 8.225 1.00 0.00 H ATOM 1197 HB3 SER A 88 16.553 17.103 7.953 1.00 0.00 H ATOM 1198 HG SER A 88 17.730 17.892 6.102 1.00 0.00 H ATOM 1199 H SER A 88 16.306 13.710 7.616 1.00 0.00 H ATOM 1200 N ASP A 89 18.063 15.319 4.523 1.00 4.75 N ATOM 1201 CA ASP A 89 19.197 14.780 3.769 1.00 4.85 C ATOM 1202 C ASP A 89 20.487 15.564 4.008 1.00 5.01 C ATOM 1203 O ASP A 89 21.525 15.223 3.441 1.00 5.41 O ATOM 1204 CB ASP A 89 18.877 14.660 2.269 1.00 5.11 C ATOM 1205 CG ASP A 89 18.703 16.003 1.578 1.00 4.73 C ATOM 1206 OD1 ASP A 89 18.787 17.079 2.227 1.00 4.11 O ATOM 1207 OD2 ASP A 89 18.478 15.979 0.345 1.00 5.79 O ATOM 1208 HA ASP A 89 19.370 13.773 4.150 1.00 0.00 H ATOM 1209 HB2 ASP A 89 19.693 14.125 1.783 1.00 0.00 H ATOM 1210 HB3 ASP A 89 17.954 14.092 2.157 1.00 0.00 H ATOM 1211 H ASP A 89 17.516 16.115 4.138 1.00 0.00 H ATOM 1212 N GLY A 90 20.431 16.615 4.834 1.00 4.47 N ATOM 1213 CA GLY A 90 21.621 17.422 5.136 1.00 5.03 C ATOM 1214 C GLY A 90 22.137 18.239 3.962 1.00 4.84 C ATOM 1215 O GLY A 90 23.230 18.819 4.036 1.00 5.66 O ATOM 1216 HA3 GLY A 90 22.416 16.751 5.461 1.00 0.00 H ATOM 1217 HA2 GLY A 90 21.372 18.107 5.946 1.00 0.00 H ATOM 1218 H GLY A 90 19.523 16.867 5.273 1.00 0.00 H ATOM 1219 N SER A 91 21.351 18.316 2.885 1.00 5.00 N ATOM 1220 CA SER A 91 21.819 18.894 1.617 1.00 5.56 C ATOM 1221 C SER A 91 20.797 19.793 0.938 1.00 5.59 C ATOM 1222 O SER A 91 21.146 20.861 0.432 1.00 6.63 O ATOM 1223 CB SER A 91 22.204 17.795 0.605 1.00 5.81 C ATOM 1224 OG SER A 91 23.175 16.891 1.105 1.00 7.03 O ATOM 1225 HA SER A 91 22.684 19.495 1.897 1.00 0.00 H ATOM 1226 HB2 SER A 91 22.603 18.272 -0.290 1.00 0.00 H ATOM 1227 HB3 SER A 91 21.307 17.232 0.346 1.00 0.00 H ATOM 1228 HG SER A 91 22.821 16.443 1.914 1.00 0.00 H ATOM 1229 H SER A 91 20.377 17.956 2.945 1.00 0.00 H ATOM 1230 N THR A 92 19.547 19.338 0.877 1.00 5.01 N ATOM 1231 CA THR A 92 18.541 20.018 0.060 1.00 4.92 C ATOM 1232 C THR A 92 17.209 20.274 0.748 1.00 4.56 C ATOM 1233 O THR A 92 16.480 21.170 0.336 1.00 4.19 O ATOM 1234 CB THR A 92 18.232 19.249 -1.250 1.00 4.64 C ATOM 1235 OG1 THR A 92 17.447 18.085 -0.960 1.00 4.93 O ATOM 1236 CG2 THR A 92 19.510 18.866 -2.002 1.00 5.39 C ATOM 1237 HA THR A 92 19.012 20.980 -0.141 1.00 0.00 H ATOM 1238 HB THR A 92 17.663 19.912 -1.902 1.00 0.00 H ATOM 1239 HG1 THR A 92 17.950 17.494 -0.345 1.00 0.00 H ATOM 1240 HG23 THR A 92 20.090 19.765 -2.211 1.00 0.00 H ATOM 1241 HG21 THR A 92 20.101 18.186 -1.389 1.00 0.00 H ATOM 1242 HG22 THR A 92 19.246 18.376 -2.939 1.00 0.00 H ATOM 1243 H THR A 92 19.282 18.489 1.416 1.00 0.00 H ATOM 1244 N CYS A 93 16.868 19.485 1.767 1.00 3.96 N ATOM 1245 CA CYS A 93 15.560 19.625 2.394 1.00 4.23 C ATOM 1246 C CYS A 93 15.493 18.976 3.764 1.00 3.99 C ATOM 1247 O CYS A 93 16.272 18.064 4.082 1.00 4.30 O ATOM 1248 CB CYS A 93 14.465 19.048 1.490 1.00 4.50 C ATOM 1249 SG CYS A 93 14.721 17.340 0.982 1.00 5.82 S ATOM 1250 HA CYS A 93 15.395 20.693 2.533 1.00 0.00 H ATOM 1251 HB2 CYS A 93 14.408 19.663 0.592 1.00 0.00 H ATOM 1252 HB3 CYS A 93 13.518 19.103 2.027 1.00 0.00 H ATOM 1253 H CYS A 93 17.537 18.768 2.115 1.00 0.00 H ATOM 1254 N ASP A 94 14.543 19.466 4.559 1.00 4.12 N ATOM 1255 CA ASP A 94 14.254 18.963 5.899 1.00 3.92 C ATOM 1256 C ASP A 94 12.754 18.899 6.108 1.00 4.16 C ATOM 1257 O ASP A 94 12.015 19.778 5.645 1.00 4.70 O ATOM 1258 CB ASP A 94 14.821 19.881 6.991 1.00 4.34 C ATOM 1259 CG ASP A 94 16.150 20.487 6.625 1.00 4.47 C ATOM 1260 OD1 ASP A 94 17.174 19.784 6.701 1.00 4.89 O ATOM 1261 OD2 ASP A 94 16.160 21.683 6.290 1.00 4.98 O ATOM 1262 HA ASP A 94 14.716 17.979 5.974 1.00 0.00 H ATOM 1263 HB2 ASP A 94 14.110 20.687 7.170 1.00 0.00 H ATOM 1264 HB3 ASP A 94 14.945 19.298 7.904 1.00 0.00 H ATOM 1265 H ASP A 94 13.970 20.258 4.202 1.00 0.00 H ATOM 1266 N VAL A 95 12.325 17.869 6.824 1.00 4.16 N ATOM 1267 CA VAL A 95 10.972 17.806 7.364 1.00 4.28 C ATOM 1268 C VAL A 95 11.105 17.812 8.877 1.00 3.85 C ATOM 1269 O VAL A 95 11.794 16.948 9.446 1.00 4.04 O ATOM 1270 CB VAL A 95 10.195 16.564 6.888 1.00 4.57 C ATOM 1271 CG1 VAL A 95 8.774 16.600 7.418 1.00 5.78 C ATOM 1272 CG2 VAL A 95 10.185 16.510 5.369 1.00 4.90 C ATOM 1273 HA VAL A 95 10.397 18.660 7.007 1.00 0.00 H ATOM 1274 HB VAL A 95 10.688 15.671 7.271 1.00 0.00 H ATOM 1275 HG11 VAL A 95 8.794 16.613 8.508 1.00 0.00 H ATOM 1276 HG12 VAL A 95 8.274 17.497 7.052 1.00 0.00 H ATOM 1277 HG13 VAL A 95 8.237 15.716 7.074 1.00 0.00 H ATOM 1278 HG21 VAL A 95 9.705 17.407 4.978 1.00 0.00 H ATOM 1279 HG22 VAL A 95 11.210 16.456 5.002 1.00 0.00 H ATOM 1280 HG23 VAL A 95 9.633 15.629 5.042 1.00 0.00 H ATOM 1281 H VAL A 95 12.976 17.079 7.007 1.00 0.00 H ATOM 1282 N VAL A 96 10.506 18.820 9.511 1.00 4.39 N ATOM 1283 CA VAL A 96 10.593 18.983 10.958 1.00 4.73 C ATOM 1284 C VAL A 96 9.213 19.167 11.576 1.00 4.80 C ATOM 1285 O VAL A 96 8.249 19.517 10.880 1.00 5.01 O ATOM 1286 CB VAL A 96 11.539 20.157 11.377 1.00 4.84 C ATOM 1287 CG1 VAL A 96 12.933 19.980 10.774 1.00 5.57 C ATOM 1288 CG2 VAL A 96 10.949 21.517 10.997 1.00 5.23 C ATOM 1289 HA VAL A 96 11.031 18.062 11.344 1.00 0.00 H ATOM 1290 HB VAL A 96 11.633 20.130 12.463 1.00 0.00 H ATOM 1291 HG11 VAL A 96 13.363 19.042 11.125 1.00 0.00 H ATOM 1292 HG12 VAL A 96 12.858 19.962 9.687 1.00 0.00 H ATOM 1293 HG13 VAL A 96 13.569 20.810 11.082 1.00 0.00 H ATOM 1294 HG21 VAL A 96 10.803 21.560 9.918 1.00 0.00 H ATOM 1295 HG22 VAL A 96 9.991 21.649 11.500 1.00 0.00 H ATOM 1296 HG23 VAL A 96 11.634 22.307 11.304 1.00 0.00 H ATOM 1297 H VAL A 96 9.960 19.511 8.957 1.00 0.00 H ATOM 1298 N ARG A 97 9.121 18.896 12.877 1.00 5.27 N ATOM 1299 CA ARG A 97 7.910 19.150 13.643 1.00 6.76 C ATOM 1300 C ARG A 97 8.206 20.201 14.707 1.00 5.75 C ATOM 1301 O ARG A 97 9.153 20.064 15.480 1.00 6.16 O ATOM 1302 CB ARG A 97 7.403 17.861 14.293 1.00 6.31 C ATOM 1303 CG ARG A 97 6.114 18.056 15.090 1.00 8.58 C ATOM 1304 CD ARG A 97 5.513 16.742 15.553 1.00 9.62 C ATOM 1305 NE ARG A 97 6.412 15.977 16.413 1.00 15.84 N ATOM 1306 CZ ARG A 97 6.828 14.740 16.155 1.00 24.05 C ATOM 1307 NH1 ARG A 97 6.429 14.109 15.058 1.00 17.94 N ATOM 1308 NH2 ARG A 97 7.639 14.121 17.001 1.00 17.70 N ATOM 1309 HA ARG A 97 7.131 19.517 12.975 1.00 0.00 H ATOM 1310 HB2 ARG A 97 7.218 17.127 13.509 1.00 0.00 H ATOM 1311 HB3 ARG A 97 8.174 17.486 14.966 1.00 0.00 H ATOM 1312 HG2 ARG A 97 6.333 18.668 15.965 1.00 0.00 H ATOM 1313 HG3 ARG A 97 5.388 18.570 14.461 1.00 0.00 H ATOM 1314 HD2 ARG A 97 5.275 16.140 14.676 1.00 0.00 H ATOM 1315 HD3 ARG A 97 4.598 16.954 16.107 1.00 0.00 H ATOM 1316 HE ARG A 97 6.750 16.430 17.286 1.00 0.00 H ATOM 1317 HH12 ARG A 97 6.760 13.142 14.865 1.00 0.00 H ATOM 1318 HH11 ARG A 97 5.786 14.581 14.391 1.00 0.00 H ATOM 1319 HH22 ARG A 97 7.963 13.154 16.797 1.00 0.00 H ATOM 1320 HH21 ARG A 97 7.951 14.602 17.868 1.00 0.00 H ATOM 1321 H ARG A 97 9.945 18.488 13.363 1.00 0.00 H ATOM 1322 N LEU A 98 7.392 21.252 14.737 1.00 6.02 N ATOM 1323 CA LEU A 98 7.554 22.333 15.706 1.00 6.52 C ATOM 1324 C LEU A 98 6.182 22.818 16.114 1.00 7.11 C ATOM 1325 O LEU A 98 5.370 23.161 15.254 1.00 6.80 O ATOM 1326 CB LEU A 98 8.355 23.491 15.101 1.00 6.49 C ATOM 1327 CG LEU A 98 8.428 24.772 15.940 1.00 6.07 C ATOM 1328 CD1 LEU A 98 9.152 24.532 17.264 1.00 7.38 C ATOM 1329 CD2 LEU A 98 9.097 25.891 15.160 1.00 6.99 C ATOM 1330 HA LEU A 98 8.100 21.963 16.574 1.00 0.00 H ATOM 1331 HB2 LEU A 98 9.374 23.141 14.937 1.00 0.00 H ATOM 1332 HB3 LEU A 98 7.901 23.745 14.143 1.00 0.00 H ATOM 1333 HG LEU A 98 7.406 25.074 16.169 1.00 0.00 H ATOM 1334 HD21 LEU A 98 10.109 25.589 14.890 1.00 0.00 H ATOM 1335 HD22 LEU A 98 8.524 26.095 14.256 1.00 0.00 H ATOM 1336 HD23 LEU A 98 9.137 26.789 15.777 1.00 0.00 H ATOM 1337 HD11 LEU A 98 8.618 23.773 17.836 1.00 0.00 H ATOM 1338 HD12 LEU A 98 10.168 24.191 17.065 1.00 0.00 H ATOM 1339 HD13 LEU A 98 9.185 25.462 17.832 1.00 0.00 H ATOM 1340 H LEU A 98 6.615 21.306 14.048 1.00 0.00 H ATOM 1341 N ASN A 99 5.928 22.850 17.422 1.00 8.01 N ATOM 1342 CA ASN A 99 4.612 23.243 17.949 1.00 9.74 C ATOM 1343 C ASN A 99 3.480 22.450 17.287 1.00 9.85 C ATOM 1344 O ASN A 99 2.409 22.999 17.007 1.00 11.13 O ATOM 1345 CB ASN A 99 4.385 24.760 17.810 1.00 10.39 C ATOM 1346 CG ASN A 99 5.393 25.581 18.599 1.00 11.49 C ATOM 1347 OD1 ASN A 99 5.960 26.558 18.095 1.00 15.06 O ATOM 1348 ND2 ASN A 99 5.627 25.184 19.838 1.00 11.14 N ATOM 1349 HA ASN A 99 4.602 23.001 19.012 1.00 0.00 H ATOM 1350 HB2 ASN A 99 4.464 25.029 16.757 1.00 0.00 H ATOM 1351 HB3 ASN A 99 3.384 24.997 18.170 1.00 0.00 H ATOM 1352 HD22 ASN A 99 5.128 24.357 20.222 1.00 0.00 H ATOM 1353 HD21 ASN A 99 6.311 25.699 20.429 1.00 0.00 H ATOM 1354 H ASN A 99 6.682 22.590 18.089 1.00 0.00 H ATOM 1355 N GLY A 100 3.743 21.171 17.029 1.00 9.84 N ATOM 1356 CA GLY A 100 2.777 20.258 16.407 1.00 9.78 C ATOM 1357 C GLY A 100 2.701 20.352 14.890 1.00 9.30 C ATOM 1358 O GLY A 100 2.167 19.444 14.239 1.00 10.68 O ATOM 1359 HA3 GLY A 100 1.790 20.481 16.811 1.00 0.00 H ATOM 1360 HA2 GLY A 100 3.055 19.238 16.671 1.00 0.00 H ATOM 1361 H GLY A 100 4.681 20.800 17.281 1.00 0.00 H ATOM 1362 N GLN A 101 3.228 21.442 14.327 1.00 7.46 N ATOM 1363 CA GLN A 101 3.180 21.696 12.881 1.00 6.80 C ATOM 1364 C GLN A 101 4.222 20.873 12.155 1.00 6.19 C ATOM 1365 O GLN A 101 5.333 20.681 12.652 1.00 6.65 O ATOM 1366 CB GLN A 101 3.427 23.180 12.570 1.00 6.34 C ATOM 1367 CG GLN A 101 2.589 24.163 13.387 1.00 7.48 C ATOM 1368 CD GLN A 101 1.121 24.197 12.992 1.00 7.43 C ATOM 1369 OE1 GLN A 101 0.690 23.559 12.026 1.00 7.32 O ATOM 1370 NE2 GLN A 101 0.343 24.965 13.741 1.00 9.53 N ATOM 1371 HA GLN A 101 2.184 21.414 12.540 1.00 0.00 H ATOM 1372 HB2 GLN A 101 4.479 23.394 12.759 1.00 0.00 H ATOM 1373 HB3 GLN A 101 3.208 23.345 11.515 1.00 0.00 H ATOM 1374 HG2 GLN A 101 2.656 23.881 14.438 1.00 0.00 H ATOM 1375 HG3 GLN A 101 3.004 25.162 13.253 1.00 0.00 H ATOM 1376 HE22 GLN A 101 0.746 25.486 14.546 1.00 0.00 H ATOM 1377 HE21 GLN A 101 -0.671 25.047 13.524 1.00 0.00 H ATOM 1378 H GLN A 101 3.693 22.142 14.939 1.00 0.00 H ATOM 1379 N ILE A 102 3.866 20.407 10.963 1.00 5.47 N ATOM 1380 CA ILE A 102 4.792 19.682 10.103 1.00 5.33 C ATOM 1381 C ILE A 102 5.267 20.650 9.033 1.00 4.74 C ATOM 1382 O ILE A 102 4.447 21.266 8.348 1.00 4.97 O ATOM 1383 CB ILE A 102 4.126 18.443 9.458 1.00 5.01 C ATOM 1384 CG1 ILE A 102 3.390 17.599 10.517 1.00 5.91 C ATOM 1385 CG2 ILE A 102 5.145 17.614 8.668 1.00 6.32 C ATOM 1386 CD1 ILE A 102 4.266 17.062 11.637 1.00 7.38 C ATOM 1387 HA ILE A 102 5.630 19.310 10.693 1.00 0.00 H ATOM 1388 HB ILE A 102 3.378 18.791 8.745 1.00 0.00 H ATOM 1389 HG12 ILE A 102 2.613 18.220 10.964 1.00 0.00 H ATOM 1390 HG13 ILE A 102 2.929 16.750 10.012 1.00 0.00 H ATOM 1391 HD11 ILE A 102 5.043 16.424 11.215 1.00 0.00 H ATOM 1392 HD12 ILE A 102 4.727 17.895 12.168 1.00 0.00 H ATOM 1393 HD13 ILE A 102 3.655 16.483 12.329 1.00 0.00 H ATOM 1394 HG21 ILE A 102 5.577 18.228 7.878 1.00 0.00 H ATOM 1395 HG22 ILE A 102 5.934 17.275 9.339 1.00 0.00 H ATOM 1396 HG23 ILE A 102 4.646 16.751 8.227 1.00 0.00 H ATOM 1397 H ILE A 102 2.893 20.565 10.632 1.00 0.00 H ATOM 1398 N GLU A 103 6.587 20.786 8.919 1.00 4.44 N ATOM 1399 CA GLU A 103 7.207 21.783 8.041 1.00 4.43 C ATOM 1400 C GLU A 103 8.175 21.131 7.073 1.00 4.24 C ATOM 1401 O GLU A 103 8.993 20.319 7.480 1.00 4.74 O ATOM 1402 CB GLU A 103 7.966 22.829 8.861 1.00 4.44 C ATOM 1403 CG GLU A 103 7.099 23.624 9.827 1.00 4.68 C ATOM 1404 CD GLU A 103 7.908 24.565 10.692 1.00 4.53 C ATOM 1405 OE1 GLU A 103 9.148 24.400 10.776 1.00 5.33 O ATOM 1406 OE2 GLU A 103 7.299 25.473 11.298 1.00 5.94 O ATOM 1407 HA GLU A 103 6.405 22.264 7.481 1.00 0.00 H ATOM 1408 HB2 GLU A 103 8.737 22.317 9.437 1.00 0.00 H ATOM 1409 HB3 GLU A 103 8.436 23.529 8.170 1.00 0.00 H ATOM 1410 HG2 GLU A 103 6.380 24.208 9.252 1.00 0.00 H ATOM 1411 HG3 GLU A 103 6.565 22.927 10.473 1.00 0.00 H ATOM 1412 H GLU A 103 7.203 20.159 9.475 1.00 0.00 H ATOM 1413 N LEU A 104 8.087 21.512 5.798 1.00 4.00 N ATOM 1414 CA LEU A 104 9.026 21.076 4.774 1.00 4.54 C ATOM 1415 C LEU A 104 9.843 22.296 4.349 1.00 4.32 C ATOM 1416 O LEU A 104 9.296 23.259 3.786 1.00 4.27 O ATOM 1417 CB LEU A 104 8.271 20.480 3.579 1.00 4.64 C ATOM 1418 CG LEU A 104 9.040 20.149 2.299 1.00 5.51 C ATOM 1419 CD1 LEU A 104 10.211 19.195 2.550 1.00 7.46 C ATOM 1420 CD2 LEU A 104 8.092 19.574 1.256 1.00 5.83 C ATOM 1421 HA LEU A 104 9.686 20.300 5.161 1.00 0.00 H ATOM 1422 HB2 LEU A 104 7.811 19.554 3.923 1.00 0.00 H ATOM 1423 HB3 LEU A 104 7.492 21.192 3.307 1.00 0.00 H ATOM 1424 HG LEU A 104 9.468 21.079 1.925 1.00 0.00 H ATOM 1425 HD21 LEU A 104 7.634 18.665 1.645 1.00 0.00 H ATOM 1426 HD22 LEU A 104 7.316 20.305 1.030 1.00 0.00 H ATOM 1427 HD23 LEU A 104 8.650 19.342 0.349 1.00 0.00 H ATOM 1428 HD11 LEU A 104 10.907 19.653 3.252 1.00 0.00 H ATOM 1429 HD12 LEU A 104 9.834 18.261 2.967 1.00 0.00 H ATOM 1430 HD13 LEU A 104 10.722 18.994 1.609 1.00 0.00 H ATOM 1431 H LEU A 104 7.313 22.149 5.523 1.00 0.00 H ATOM 1432 N TRP A 105 11.141 22.241 4.647 1.00 4.17 N ATOM 1433 CA TRP A 105 12.100 23.312 4.357 1.00 3.98 C ATOM 1434 C TRP A 105 12.967 22.892 3.186 1.00 4.27 C ATOM 1435 O TRP A 105 13.328 21.721 3.062 1.00 4.28 O ATOM 1436 CB TRP A 105 13.000 23.578 5.567 1.00 4.35 C ATOM 1437 CG TRP A 105 12.270 24.134 6.757 1.00 4.08 C ATOM 1438 CD1 TRP A 105 11.493 23.441 7.643 1.00 4.52 C ATOM 1439 CD2 TRP A 105 12.257 25.506 7.199 1.00 4.04 C ATOM 1440 NE1 TRP A 105 10.988 24.293 8.601 1.00 4.38 N ATOM 1441 CE2 TRP A 105 11.446 25.562 8.361 1.00 4.72 C ATOM 1442 CE3 TRP A 105 12.857 26.688 6.733 1.00 4.02 C ATOM 1443 CZ2 TRP A 105 11.211 26.755 9.064 1.00 4.51 C ATOM 1444 CZ3 TRP A 105 12.625 27.877 7.429 1.00 4.96 C ATOM 1445 CH2 TRP A 105 11.806 27.900 8.582 1.00 4.63 C ATOM 1446 HA TRP A 105 11.548 24.222 4.122 1.00 0.00 H ATOM 1447 HB2 TRP A 105 13.469 22.639 5.860 1.00 0.00 H ATOM 1448 HB3 TRP A 105 13.770 24.291 5.272 1.00 0.00 H ATOM 1449 HE1 TRP A 105 10.359 24.017 9.382 1.00 0.00 H ATOM 1450 HD1 TRP A 105 11.301 22.369 7.598 1.00 0.00 H ATOM 1451 HZ2 TRP A 105 10.583 26.774 9.955 1.00 0.00 H ATOM 1452 HH2 TRP A 105 11.642 28.845 9.101 1.00 0.00 H ATOM 1453 HZ3 TRP A 105 13.083 28.802 7.078 1.00 0.00 H ATOM 1454 HE3 TRP A 105 13.491 26.678 5.846 1.00 0.00 H ATOM 1455 H TRP A 105 11.497 21.383 5.115 1.00 0.00 H ATOM 1456 N ILE A 106 13.320 23.856 2.340 1.00 4.48 N ATOM 1457 CA ILE A 106 14.159 23.593 1.166 1.00 4.85 C ATOM 1458 C ILE A 106 15.366 24.518 1.119 1.00 4.75 C ATOM 1459 O ILE A 106 15.265 25.718 1.419 1.00 4.46 O ATOM 1460 CB ILE A 106 13.353 23.661 -0.169 1.00 5.15 C ATOM 1461 CG1 ILE A 106 12.820 25.081 -0.447 1.00 5.45 C ATOM 1462 CG2 ILE A 106 12.237 22.615 -0.154 1.00 6.19 C ATOM 1463 CD1 ILE A 106 12.086 25.227 -1.771 1.00 6.06 C ATOM 1464 HA ILE A 106 14.522 22.571 1.272 1.00 0.00 H ATOM 1465 HB ILE A 106 14.026 23.428 -0.994 1.00 0.00 H ATOM 1466 HG12 ILE A 106 12.134 25.351 0.356 1.00 0.00 H ATOM 1467 HG13 ILE A 106 13.665 25.769 -0.448 1.00 0.00 H ATOM 1468 HD11 ILE A 106 12.761 24.974 -2.589 1.00 0.00 H ATOM 1469 HD12 ILE A 106 11.228 24.555 -1.785 1.00 0.00 H ATOM 1470 HD13 ILE A 106 11.746 26.256 -1.885 1.00 0.00 H ATOM 1471 HG21 ILE A 106 12.673 21.622 -0.046 1.00 0.00 H ATOM 1472 HG22 ILE A 106 11.567 22.812 0.683 1.00 0.00 H ATOM 1473 HG23 ILE A 106 11.679 22.668 -1.089 1.00 0.00 H ATOM 1474 H ILE A 106 12.991 24.827 2.517 1.00 0.00 H ATOM 1475 N HIS A 107 16.507 23.956 0.743 1.00 4.89 N ATOM 1476 CA HIS A 107 17.715 24.739 0.593 1.00 5.24 C ATOM 1477 C HIS A 107 17.555 25.727 -0.548 1.00 5.84 C ATOM 1478 O HIS A 107 16.829 25.464 -1.516 1.00 5.61 O ATOM 1479 CB HIS A 107 18.923 23.832 0.353 1.00 5.39 C ATOM 1480 CG HIS A 107 20.230 24.555 0.442 1.00 5.57 C ATOM 1481 ND1 HIS A 107 20.960 24.914 -0.671 1.00 6.78 N ATOM 1482 CD2 HIS A 107 20.928 25.004 1.513 1.00 6.73 C ATOM 1483 CE1 HIS A 107 22.056 25.547 -0.289 1.00 7.14 C ATOM 1484 NE2 HIS A 107 22.061 25.613 1.032 1.00 7.49 N ATOM 1485 HA HIS A 107 17.887 25.293 1.516 1.00 0.00 H ATOM 1486 HB2 HIS A 107 18.914 23.038 1.100 1.00 0.00 H ATOM 1487 HB3 HIS A 107 18.836 23.394 -0.641 1.00 0.00 H ATOM 1488 HD2 HIS A 107 20.644 24.901 2.560 1.00 0.00 H ATOM 1489 HE1 HIS A 107 22.825 25.947 -0.950 1.00 0.00 H ATOM 1490 H HIS A 107 16.534 22.934 0.552 1.00 0.00 H ATOM 1491 N SER A 108 18.259 26.851 -0.437 1.00 6.57 N ATOM 1492 CA SER A 108 18.212 27.891 -1.467 1.00 8.12 C ATOM 1493 C SER A 108 18.596 27.367 -2.863 1.00 8.73 C ATOM 1494 O SER A 108 18.078 27.852 -3.866 1.00 9.86 O ATOM 1495 CB SER A 108 19.050 29.107 -1.052 1.00 8.56 C ATOM 1496 OG SER A 108 20.308 28.730 -0.520 1.00 9.57 O ATOM 1497 HA SER A 108 17.174 28.214 -1.551 1.00 0.00 H ATOM 1498 HB2 SER A 108 18.503 29.670 -0.296 1.00 0.00 H ATOM 1499 HB3 SER A 108 19.212 29.737 -1.926 1.00 0.00 H ATOM 1500 HG SER A 108 20.815 28.223 -1.203 1.00 0.00 H ATOM 1501 H SER A 108 18.857 26.994 0.402 1.00 0.00 H ATOM 1502 N SER A 109 19.452 26.346 -2.914 1.00 8.85 N ATOM 1503 CA SER A 109 19.850 25.704 -4.179 1.00 9.36 C ATOM 1504 C SER A 109 18.733 24.880 -4.837 1.00 9.56 C ATOM 1505 O SER A 109 18.855 24.484 -6.000 1.00 10.36 O ATOM 1506 CB SER A 109 21.054 24.788 -3.926 1.00 9.96 C ATOM 1507 OG SER A 109 20.696 23.693 -3.103 1.00 11.50 O ATOM 1508 HA SER A 109 20.096 26.512 -4.868 1.00 0.00 H ATOM 1509 HB2 SER A 109 21.841 25.361 -3.435 1.00 0.00 H ATOM 1510 HB3 SER A 109 21.422 24.411 -4.880 1.00 0.00 H ATOM 1511 HG SER A 109 20.365 24.030 -2.233 1.00 0.00 H ATOM 1512 H SER A 109 19.855 25.988 -2.025 1.00 0.00 H ATOM 1513 N ALA A 110 17.661 24.620 -4.090 1.00 8.81 N ATOM 1514 CA ALA A 110 16.577 23.746 -4.540 1.00 9.20 C ATOM 1515 C ALA A 110 15.313 24.499 -4.942 1.00 9.28 C ATOM 1516 O ALA A 110 14.321 23.883 -5.318 1.00 9.37 O ATOM 1517 CB ALA A 110 16.252 22.706 -3.464 1.00 9.47 C ATOM 1518 HA ALA A 110 16.939 23.249 -5.440 1.00 0.00 H ATOM 1519 HB1 ALA A 110 17.137 22.102 -3.265 1.00 0.00 H ATOM 1520 HB2 ALA A 110 15.944 23.214 -2.550 1.00 0.00 H ATOM 1521 HB3 ALA A 110 15.444 22.064 -3.814 1.00 0.00 H ATOM 1522 H ALA A 110 17.592 25.056 -3.148 1.00 0.00 H ATOM 1523 N THR A 111 15.351 25.827 -4.881 1.00 9.67 N ATOM 1524 CA THR A 111 14.143 26.640 -5.057 1.00 10.45 C ATOM 1525 C THR A 111 13.577 26.672 -6.484 1.00 11.16 C ATOM 1526 O THR A 111 12.432 27.073 -6.677 1.00 11.45 O ATOM 1527 CB THR A 111 14.353 28.085 -4.561 1.00 10.12 C ATOM 1528 OG1 THR A 111 15.496 28.644 -5.211 1.00 11.26 O ATOM 1529 CG2 THR A 111 14.556 28.127 -3.041 1.00 10.53 C ATOM 1530 HA THR A 111 13.399 26.132 -4.443 1.00 0.00 H ATOM 1531 HB THR A 111 13.462 28.665 -4.801 1.00 0.00 H ATOM 1532 HG1 THR A 111 15.633 29.572 -4.894 1.00 0.00 H ATOM 1533 HG23 THR A 111 13.683 27.700 -2.547 1.00 0.00 H ATOM 1534 HG21 THR A 111 15.442 27.550 -2.778 1.00 0.00 H ATOM 1535 HG22 THR A 111 14.686 29.161 -2.722 1.00 0.00 H ATOM 1536 H THR A 111 16.260 26.301 -4.704 1.00 0.00 H ATOM 1537 N SER A 112 14.376 26.271 -7.473 1.00 11.85 N ATOM 1538 CA SER A 112 13.895 26.195 -8.859 1.00 13.33 C ATOM 1539 C SER A 112 13.467 24.784 -9.253 1.00 13.80 C ATOM 1540 O SER A 112 13.205 24.512 -10.427 1.00 15.05 O ATOM 1541 CB SER A 112 14.948 26.720 -9.839 1.00 13.66 C ATOM 1542 OG SER A 112 15.000 28.133 -9.808 1.00 15.68 O ATOM 1543 HA SER A 112 13.012 26.832 -8.913 1.00 0.00 H ATOM 1544 HB2 SER A 112 14.693 26.393 -10.847 1.00 0.00 H ATOM 1545 HB3 SER A 112 15.924 26.320 -9.564 1.00 0.00 H ATOM 1546 HG SER A 112 15.235 28.433 -8.894 1.00 0.00 H ATOM 1547 H SER A 112 15.359 26.007 -7.259 1.00 0.00 H ATOM 1548 N ASN A 113 13.402 23.884 -8.279 1.00 13.83 N ATOM 1549 CA ASN A 113 12.980 22.513 -8.550 1.00 13.82 C ATOM 1550 C ASN A 113 12.039 21.985 -7.475 1.00 12.57 C ATOM 1551 O ASN A 113 12.186 20.856 -7.011 1.00 12.09 O ATOM 1552 CB ASN A 113 14.195 21.591 -8.721 1.00 15.10 C ATOM 1553 CG ASN A 113 15.170 21.682 -7.565 1.00 16.77 C ATOM 1554 OD1 ASN A 113 14.894 21.207 -6.459 1.00 18.84 O ATOM 1555 ND2 ASN A 113 16.332 22.280 -7.821 1.00 19.06 N ATOM 1556 HA ASN A 113 12.424 22.523 -9.487 1.00 0.00 H ATOM 1557 HB2 ASN A 113 13.843 20.562 -8.800 1.00 0.00 H ATOM 1558 HB3 ASN A 113 14.715 21.867 -9.638 1.00 0.00 H ATOM 1559 HD22 ASN A 113 16.521 22.666 -8.768 1.00 0.00 H ATOM 1560 HD21 ASN A 113 17.051 22.361 -7.074 1.00 0.00 H ATOM 1561 H ASN A 113 13.655 24.160 -7.309 1.00 0.00 H ATOM 1562 N THR A 114 11.051 22.795 -7.100 1.00 11.49 N ATOM 1563 CA THR A 114 10.189 22.443 -5.966 1.00 10.63 C ATOM 1564 C THR A 114 9.244 21.276 -6.258 1.00 10.56 C ATOM 1565 O THR A 114 8.665 20.717 -5.331 1.00 10.85 O ATOM 1566 CB THR A 114 9.388 23.648 -5.418 1.00 10.34 C ATOM 1567 OG1 THR A 114 8.469 24.102 -6.412 1.00 10.27 O ATOM 1568 CG2 THR A 114 10.304 24.796 -5.014 1.00 10.31 C ATOM 1569 HA THR A 114 10.885 22.118 -5.192 1.00 0.00 H ATOM 1570 HB THR A 114 8.850 23.317 -4.530 1.00 0.00 H ATOM 1571 HG1 THR A 114 7.845 23.369 -6.643 1.00 0.00 H ATOM 1572 HG23 THR A 114 11.006 24.450 -4.255 1.00 0.00 H ATOM 1573 HG21 THR A 114 10.855 25.145 -5.888 1.00 0.00 H ATOM 1574 HG22 THR A 114 9.705 25.613 -4.611 1.00 0.00 H ATOM 1575 H THR A 114 10.889 23.684 -7.615 1.00 0.00 H ATOM 1576 N GLY A 115 9.111 20.907 -7.532 1.00 10.66 N ATOM 1577 CA GLY A 115 8.368 19.704 -7.916 1.00 10.73 C ATOM 1578 C GLY A 115 9.229 18.456 -8.039 1.00 10.50 C ATOM 1579 O GLY A 115 8.716 17.367 -8.312 1.00 10.92 O ATOM 1580 HA3 GLY A 115 7.892 19.888 -8.879 1.00 0.00 H ATOM 1581 HA2 GLY A 115 7.602 19.519 -7.163 1.00 0.00 H ATOM 1582 H GLY A 115 9.547 21.490 -8.275 1.00 0.00 H ATOM 1583 N ASN A 116 10.538 18.608 -7.836 1.00 9.71 N ATOM 1584 CA ASN A 116 11.483 17.494 -7.930 1.00 9.13 C ATOM 1585 C ASN A 116 12.426 17.418 -6.725 1.00 8.54 C ATOM 1586 O ASN A 116 13.646 17.260 -6.861 1.00 8.68 O ATOM 1587 CB ASN A 116 12.253 17.536 -9.254 1.00 9.58 C ATOM 1588 CG ASN A 116 11.344 17.375 -10.450 1.00 10.94 C ATOM 1589 OD1 ASN A 116 11.045 16.255 -10.872 1.00 12.83 O ATOM 1590 ND2 ASN A 116 10.875 18.492 -10.987 1.00 11.57 N ATOM 1591 HA ASN A 116 10.896 16.576 -7.913 1.00 0.00 H ATOM 1592 HB2 ASN A 116 12.768 18.494 -9.331 1.00 0.00 H ATOM 1593 HB3 ASN A 116 12.986 16.730 -9.259 1.00 0.00 H ATOM 1594 HD22 ASN A 116 11.155 19.414 -10.597 1.00 0.00 H ATOM 1595 HD21 ASN A 116 10.226 18.446 -11.799 1.00 0.00 H ATOM 1596 H ASN A 116 10.901 19.554 -7.602 1.00 0.00 H ATOM 1597 N LEU A 117 11.835 17.506 -5.542 1.00 7.49 N ATOM 1598 CA LEU A 117 12.577 17.415 -4.289 1.00 6.59 C ATOM 1599 C LEU A 117 12.829 15.966 -3.894 1.00 6.14 C ATOM 1600 O LEU A 117 12.120 15.055 -4.329 1.00 5.90 O ATOM 1601 CB LEU A 117 11.813 18.146 -3.174 1.00 6.92 C ATOM 1602 CG LEU A 117 11.570 19.649 -3.354 1.00 7.10 C ATOM 1603 CD1 LEU A 117 10.564 20.118 -2.326 1.00 9.26 C ATOM 1604 CD2 LEU A 117 12.865 20.446 -3.252 1.00 8.08 C ATOM 1605 HA LEU A 117 13.546 17.892 -4.435 1.00 0.00 H ATOM 1606 HB2 LEU A 117 10.839 17.666 -3.076 1.00 0.00 H ATOM 1607 HB3 LEU A 117 12.376 18.014 -2.250 1.00 0.00 H ATOM 1608 HG LEU A 117 11.172 19.820 -4.354 1.00 0.00 H ATOM 1609 HD21 LEU A 117 13.313 20.285 -2.271 1.00 0.00 H ATOM 1610 HD22 LEU A 117 13.556 20.115 -4.027 1.00 0.00 H ATOM 1611 HD23 LEU A 117 12.649 21.506 -3.385 1.00 0.00 H ATOM 1612 HD11 LEU A 117 9.628 19.577 -2.463 1.00 0.00 H ATOM 1613 HD12 LEU A 117 10.953 19.927 -1.326 1.00 0.00 H ATOM 1614 HD13 LEU A 117 10.389 21.187 -2.452 1.00 0.00 H ATOM 1615 H LEU A 117 10.805 17.645 -5.505 1.00 0.00 H ATOM 1616 N ASN A 118 13.846 15.770 -3.066 1.00 5.45 N ATOM 1617 CA ASN A 118 14.161 14.478 -2.476 1.00 5.32 C ATOM 1618 C ASN A 118 12.885 13.740 -2.077 1.00 5.42 C ATOM 1619 O ASN A 118 12.085 14.247 -1.280 1.00 5.50 O ATOM 1620 CB ASN A 118 15.079 14.696 -1.264 1.00 4.97 C ATOM 1621 CG ASN A 118 15.675 13.404 -0.719 1.00 4.57 C ATOM 1622 OD1 ASN A 118 15.068 12.339 -0.783 1.00 6.52 O ATOM 1623 ND2 ASN A 118 16.865 13.505 -0.144 1.00 5.92 N ATOM 1624 HA ASN A 118 14.677 13.857 -3.208 1.00 0.00 H ATOM 1625 HB2 ASN A 118 15.895 15.355 -1.562 1.00 0.00 H ATOM 1626 HB3 ASN A 118 14.500 15.171 -0.472 1.00 0.00 H ATOM 1627 HD22 ASN A 118 17.349 14.425 -0.109 1.00 0.00 H ATOM 1628 HD21 ASN A 118 17.315 12.664 0.272 1.00 0.00 H ATOM 1629 H ASN A 118 14.450 16.582 -2.826 1.00 0.00 H ATOM 1630 N SER A 119 12.692 12.552 -2.652 1.00 5.69 N ATOM 1631 CA SER A 119 11.505 11.737 -2.376 1.00 5.96 C ATOM 1632 C SER A 119 11.355 11.433 -0.889 1.00 5.88 C ATOM 1633 O SER A 119 10.239 11.269 -0.397 1.00 5.94 O ATOM 1634 CB SER A 119 11.530 10.436 -3.193 1.00 6.44 C ATOM 1635 OG SER A 119 12.531 9.546 -2.726 1.00 7.82 O ATOM 1636 HA SER A 119 10.637 12.322 -2.680 1.00 0.00 H ATOM 1637 HB2 SER A 119 11.730 10.677 -4.237 1.00 0.00 H ATOM 1638 HB3 SER A 119 10.558 9.949 -3.113 1.00 0.00 H ATOM 1639 HG SER A 119 13.418 9.980 -2.801 1.00 0.00 H ATOM 1640 H SER A 119 13.406 12.193 -3.317 1.00 0.00 H ATOM 1641 N CYS A 120 12.473 11.350 -0.169 1.00 5.71 N ATOM 1642 CA CYS A 120 12.415 11.102 1.268 1.00 6.07 C ATOM 1643 C CYS A 120 11.779 12.282 2.006 1.00 5.34 C ATOM 1644 O CYS A 120 11.092 12.097 3.009 1.00 5.76 O ATOM 1645 CB CYS A 120 13.810 10.834 1.820 1.00 6.44 C ATOM 1646 SG CYS A 120 14.599 9.338 1.185 1.00 9.52 S ATOM 1647 HA CYS A 120 11.794 10.221 1.429 1.00 0.00 H ATOM 1648 HB2 CYS A 120 13.735 10.745 2.904 1.00 0.00 H ATOM 1649 HB3 CYS A 120 14.444 11.685 1.570 1.00 0.00 H ATOM 1650 H CYS A 120 13.396 11.463 -0.635 1.00 0.00 H ATOM 1651 N CYS A 121 12.015 13.497 1.513 1.00 5.16 N ATOM 1652 CA CYS A 121 11.429 14.688 2.123 1.00 5.20 C ATOM 1653 C CYS A 121 9.938 14.780 1.841 1.00 4.86 C ATOM 1654 O CYS A 121 9.135 14.956 2.750 1.00 5.11 O ATOM 1655 CB CYS A 121 12.128 15.954 1.634 1.00 5.30 C ATOM 1656 SG CYS A 121 13.756 16.210 2.361 1.00 5.67 S ATOM 1657 HA CYS A 121 11.571 14.601 3.200 1.00 0.00 H ATOM 1658 HB2 CYS A 121 11.502 16.811 1.882 1.00 0.00 H ATOM 1659 HB3 CYS A 121 12.241 15.889 0.552 1.00 0.00 H ATOM 1660 H CYS A 121 12.628 13.599 0.679 1.00 0.00 H ATOM 1661 N THR A 122 9.548 14.646 0.580 1.00 4.78 N ATOM 1662 CA THR A 122 8.133 14.769 0.261 1.00 5.15 C ATOM 1663 C THR A 122 7.339 13.599 0.865 1.00 4.82 C ATOM 1664 O THR A 122 6.254 13.812 1.401 1.00 5.01 O ATOM 1665 CB THR A 122 7.882 14.897 -1.252 1.00 5.37 C ATOM 1666 OG1 THR A 122 8.409 13.756 -1.941 1.00 6.13 O ATOM 1667 CG2 THR A 122 8.526 16.160 -1.801 1.00 5.50 C ATOM 1668 HA THR A 122 7.777 15.695 0.712 1.00 0.00 H ATOM 1669 HB THR A 122 6.805 14.952 -1.411 1.00 0.00 H ATOM 1670 HG1 THR A 122 8.241 13.852 -2.912 1.00 0.00 H ATOM 1671 HG23 THR A 122 8.125 17.028 -1.277 1.00 0.00 H ATOM 1672 HG21 THR A 122 9.605 16.110 -1.652 1.00 0.00 H ATOM 1673 HG22 THR A 122 8.308 16.244 -2.866 1.00 0.00 H ATOM 1674 H THR A 122 10.243 14.456 -0.170 1.00 0.00 H ATOM 1675 N ASP A 123 7.879 12.378 0.818 1.00 5.34 N ATOM 1676 CA ASP A 123 7.194 11.250 1.451 1.00 5.43 C ATOM 1677 C ASP A 123 6.972 11.504 2.947 1.00 5.19 C ATOM 1678 O ASP A 123 5.867 11.303 3.455 1.00 5.09 O ATOM 1679 CB ASP A 123 7.949 9.931 1.267 1.00 5.90 C ATOM 1680 CG ASP A 123 7.935 9.415 -0.177 1.00 7.23 C ATOM 1681 OD1 ASP A 123 7.263 9.990 -1.062 1.00 8.16 O ATOM 1682 OD2 ASP A 123 8.624 8.405 -0.420 1.00 9.29 O ATOM 1683 HA ASP A 123 6.229 11.162 0.951 1.00 0.00 H ATOM 1684 HB2 ASP A 123 8.985 10.081 1.570 1.00 0.00 H ATOM 1685 HB3 ASP A 123 7.490 9.178 1.907 1.00 0.00 H ATOM 1686 H ASP A 123 8.786 12.229 0.332 1.00 0.00 H ATOM 1687 N LYS A 124 8.008 11.954 3.654 1.00 5.09 N ATOM 1688 CA LYS A 124 7.873 12.180 5.095 1.00 5.03 C ATOM 1689 C LYS A 124 6.864 13.291 5.392 1.00 4.49 C ATOM 1690 O LYS A 124 6.014 13.139 6.272 1.00 4.79 O ATOM 1691 CB LYS A 124 9.231 12.468 5.736 1.00 5.11 C ATOM 1692 CG LYS A 124 9.185 12.679 7.258 1.00 5.89 C ATOM 1693 CD LYS A 124 8.699 11.458 8.034 1.00 7.97 C ATOM 1694 CE LYS A 124 9.747 10.359 8.079 1.00 9.70 C ATOM 1695 NZ LYS A 124 9.284 9.214 8.924 1.00 11.60 N ATOM 1696 HA LYS A 124 7.486 11.264 5.541 1.00 0.00 H ATOM 1697 HB2 LYS A 124 9.891 11.626 5.528 1.00 0.00 H ATOM 1698 HB3 LYS A 124 9.639 13.369 5.279 1.00 0.00 H ATOM 1699 HG2 LYS A 124 10.189 12.928 7.601 1.00 0.00 H ATOM 1700 HG3 LYS A 124 8.513 13.511 7.470 1.00 0.00 H ATOM 1701 HD2 LYS A 124 8.461 11.760 9.054 1.00 0.00 H ATOM 1702 HD3 LYS A 124 7.801 11.069 7.553 1.00 0.00 H ATOM 1703 HE2 LYS A 124 10.669 10.762 8.498 1.00 0.00 H ATOM 1704 HE3 LYS A 124 9.935 10.003 7.066 1.00 0.00 H ATOM 1705 HZ1 LYS A 124 9.108 9.549 9.893 1.00 0.00 H ATOM 1706 HZ2 LYS A 124 8.406 8.824 8.526 1.00 0.00 H ATOM 1707 HZ3 LYS A 124 10.017 8.477 8.939 1.00 0.00 H ATOM 1708 H LYS A 124 8.915 12.145 3.182 1.00 0.00 H ATOM 1709 N PHE A 125 6.928 14.384 4.631 1.00 4.36 N ATOM 1710 CA PHE A 125 5.971 15.480 4.811 1.00 4.44 C ATOM 1711 C PHE A 125 4.539 14.975 4.582 1.00 4.44 C ATOM 1712 O PHE A 125 3.652 15.212 5.400 1.00 4.52 O ATOM 1713 CB PHE A 125 6.299 16.671 3.893 1.00 5.07 C ATOM 1714 CG PHE A 125 5.335 17.813 4.032 1.00 4.36 C ATOM 1715 CD1 PHE A 125 5.452 18.699 5.104 1.00 5.20 C ATOM 1716 CD2 PHE A 125 4.290 17.984 3.126 1.00 5.05 C ATOM 1717 CE1 PHE A 125 4.554 19.751 5.258 1.00 5.63 C ATOM 1718 CE2 PHE A 125 3.393 19.047 3.267 1.00 5.34 C ATOM 1719 CZ PHE A 125 3.521 19.924 4.337 1.00 5.65 C ATOM 1720 HA PHE A 125 6.050 15.838 5.838 1.00 0.00 H ATOM 1721 HB2 PHE A 125 7.299 17.031 4.137 1.00 0.00 H ATOM 1722 HB3 PHE A 125 6.280 16.326 2.859 1.00 0.00 H ATOM 1723 HD2 PHE A 125 4.171 17.283 2.300 1.00 0.00 H ATOM 1724 HE2 PHE A 125 2.594 19.188 2.539 1.00 0.00 H ATOM 1725 HZ PHE A 125 2.815 20.746 4.456 1.00 0.00 H ATOM 1726 HE1 PHE A 125 4.658 20.439 6.097 1.00 0.00 H ATOM 1727 HD1 PHE A 125 6.255 18.566 5.828 1.00 0.00 H ATOM 1728 H PHE A 125 7.665 14.460 3.901 1.00 0.00 H ATOM 1729 N ASN A 126 4.327 14.258 3.480 1.00 5.04 N ATOM 1730 CA ASN A 126 2.994 13.783 3.125 1.00 5.74 C ATOM 1731 C ASN A 126 2.443 12.792 4.140 1.00 5.87 C ATOM 1732 O ASN A 126 1.258 12.824 4.470 1.00 6.44 O ATOM 1733 CB ASN A 126 2.989 13.181 1.721 1.00 6.40 C ATOM 1734 CG ASN A 126 3.207 14.223 0.640 1.00 7.00 C ATOM 1735 OD1 ASN A 126 2.839 15.385 0.808 1.00 8.33 O ATOM 1736 ND2 ASN A 126 3.763 13.793 -0.519 1.00 8.15 N ATOM 1737 HA ASN A 126 2.333 14.650 3.136 1.00 0.00 H ATOM 1738 HB2 ASN A 126 3.784 12.438 1.656 1.00 0.00 H ATOM 1739 HB3 ASN A 126 2.027 12.697 1.551 1.00 0.00 H ATOM 1740 HD22 ASN A 126 4.060 12.801 -0.617 1.00 0.00 H ATOM 1741 HD21 ASN A 126 3.893 14.455 -1.310 1.00 0.00 H ATOM 1742 H ASN A 126 5.130 14.032 2.859 1.00 0.00 H ATOM 1743 N GLN A 127 3.314 11.932 4.659 1.00 5.88 N ATOM 1744 CA GLN A 127 2.907 10.967 5.681 1.00 6.97 C ATOM 1745 C GLN A 127 2.527 11.675 6.975 1.00 6.86 C ATOM 1746 O GLN A 127 1.450 11.438 7.526 1.00 7.73 O ATOM 1747 CB GLN A 127 4.022 9.960 5.947 1.00 7.62 C ATOM 1748 CG GLN A 127 4.275 9.007 4.789 1.00 9.48 C ATOM 1749 CD GLN A 127 5.686 8.436 4.776 1.00 12.79 C ATOM 1750 OE1 GLN A 127 6.480 8.654 5.696 1.00 14.58 O ATOM 1751 NE2 GLN A 127 6.008 7.709 3.715 1.00 13.91 N ATOM 1752 HA GLN A 127 2.034 10.433 5.307 1.00 0.00 H ATOM 1753 HB2 GLN A 127 4.942 10.510 6.148 1.00 0.00 H ATOM 1754 HB3 GLN A 127 3.753 9.372 6.824 1.00 0.00 H ATOM 1755 HG2 GLN A 127 3.568 8.181 4.860 1.00 0.00 H ATOM 1756 HG3 GLN A 127 4.111 9.545 3.855 1.00 0.00 H ATOM 1757 HE22 GLN A 127 5.309 7.550 2.962 1.00 0.00 H ATOM 1758 HE21 GLN A 127 6.960 7.298 3.636 1.00 0.00 H ATOM 1759 H GLN A 127 4.302 11.945 4.333 1.00 0.00 H ATOM 1760 N GLU A 128 3.399 12.565 7.437 1.00 6.73 N ATOM 1761 CA GLU A 128 3.238 13.157 8.761 1.00 6.77 C ATOM 1762 C GLU A 128 2.127 14.200 8.863 1.00 6.45 C ATOM 1763 O GLU A 128 1.559 14.390 9.939 1.00 6.42 O ATOM 1764 CB GLU A 128 4.575 13.707 9.262 1.00 7.06 C ATOM 1765 CG GLU A 128 5.595 12.618 9.567 1.00 9.46 C ATOM 1766 CD GLU A 128 5.104 11.641 10.619 1.00 13.82 C ATOM 1767 OE1 GLU A 128 4.655 12.098 11.691 1.00 15.40 O ATOM 1768 OE2 GLU A 128 5.158 10.415 10.368 1.00 16.50 O ATOM 1769 HA GLU A 128 2.912 12.347 9.414 1.00 0.00 H ATOM 1770 HB2 GLU A 128 4.988 14.365 8.497 1.00 0.00 H ATOM 1771 HB3 GLU A 128 4.395 14.279 10.172 1.00 0.00 H ATOM 1772 HG2 GLU A 128 5.805 12.068 8.650 1.00 0.00 H ATOM 1773 HG3 GLU A 128 6.511 13.087 9.926 1.00 0.00 H ATOM 1774 H GLU A 128 4.208 12.844 6.846 1.00 0.00 H ATOM 1775 N LYS A 129 1.793 14.867 7.759 1.00 6.07 N ATOM 1776 CA LYS A 129 0.724 15.864 7.815 1.00 6.40 C ATOM 1777 C LYS A 129 -0.671 15.232 7.926 1.00 5.80 C ATOM 1778 O LYS A 129 -1.626 15.913 8.315 1.00 5.93 O ATOM 1779 CB LYS A 129 0.802 16.866 6.657 1.00 7.25 C ATOM 1780 CG LYS A 129 0.378 16.338 5.317 1.00 9.12 C ATOM 1781 CD LYS A 129 0.032 17.474 4.350 1.00 11.65 C ATOM 1782 CE LYS A 129 -0.177 16.944 2.939 1.00 14.45 C ATOM 1783 NZ LYS A 129 1.161 16.688 2.341 1.00 17.82 N ATOM 1784 HA LYS A 129 0.886 16.425 8.735 1.00 0.00 H ATOM 1785 HB2 LYS A 129 0.162 17.714 6.902 1.00 0.00 H ATOM 1786 HB3 LYS A 129 1.835 17.204 6.574 1.00 0.00 H ATOM 1787 HG2 LYS A 129 1.192 15.748 4.895 1.00 0.00 H ATOM 1788 HG3 LYS A 129 -0.499 15.704 5.447 1.00 0.00 H ATOM 1789 HD2 LYS A 129 -0.882 17.963 4.687 1.00 0.00 H ATOM 1790 HD3 LYS A 129 0.848 18.197 4.342 1.00 0.00 H ATOM 1791 HE2 LYS A 129 -0.714 17.681 2.342 1.00 0.00 H ATOM 1792 HE3 LYS A 129 -0.751 16.018 2.973 1.00 0.00 H ATOM 1793 HZ1 LYS A 129 1.703 17.575 2.315 1.00 0.00 H ATOM 1794 HZ2 LYS A 129 1.668 15.987 2.917 1.00 0.00 H ATOM 1795 HZ3 LYS A 129 1.043 16.324 1.374 1.00 0.00 H ATOM 1796 H LYS A 129 2.289 14.680 6.864 1.00 0.00 H ATOM 1797 N GLY A 130 -0.788 13.939 7.617 1.00 6.07 N ATOM 1798 CA GLY A 130 -2.084 13.259 7.724 1.00 6.18 C ATOM 1799 C GLY A 130 -3.127 13.971 6.886 1.00 5.80 C ATOM 1800 O GLY A 130 -2.903 14.246 5.705 1.00 6.01 O ATOM 1801 HA3 GLY A 130 -2.402 13.255 8.766 1.00 0.00 H ATOM 1802 HA2 GLY A 130 -1.981 12.232 7.373 1.00 0.00 H ATOM 1803 H GLY A 130 0.047 13.408 7.297 1.00 0.00 H ATOM 1804 N SER A 131 -4.260 14.285 7.512 1.00 5.95 N ATOM 1805 CA SER A 131 -5.388 14.920 6.826 1.00 6.30 C ATOM 1806 C SER A 131 -5.412 16.450 6.962 1.00 6.53 C ATOM 1807 O SER A 131 -6.389 17.102 6.600 1.00 6.83 O ATOM 1808 CB SER A 131 -6.711 14.306 7.304 1.00 6.74 C ATOM 1809 OG SER A 131 -6.724 14.100 8.711 1.00 7.86 O ATOM 1810 HA SER A 131 -5.256 14.721 5.762 1.00 0.00 H ATOM 1811 HB2 SER A 131 -6.855 13.347 6.806 1.00 0.00 H ATOM 1812 HB3 SER A 131 -7.527 14.978 7.039 1.00 0.00 H ATOM 1813 HG SER A 131 -5.989 13.485 8.960 1.00 0.00 H ATOM 1814 H SER A 131 -4.347 14.071 8.526 1.00 0.00 H ATOM 1815 N ARG A 132 -4.315 17.020 7.454 1.00 6.10 N ATOM 1816 CA ARG A 132 -4.238 18.467 7.674 1.00 6.80 C ATOM 1817 C ARG A 132 -3.900 19.185 6.369 1.00 7.33 C ATOM 1818 O ARG A 132 -2.942 18.815 5.686 1.00 7.44 O ATOM 1819 CB ARG A 132 -3.179 18.786 8.725 1.00 6.59 C ATOM 1820 CG ARG A 132 -3.417 18.087 10.050 1.00 7.34 C ATOM 1821 CD ARG A 132 -2.161 18.114 10.892 1.00 8.97 C ATOM 1822 NE ARG A 132 -1.954 19.446 11.439 1.00 9.98 N ATOM 1823 CZ ARG A 132 -0.930 19.786 12.210 1.00 9.46 C ATOM 1824 NH1 ARG A 132 -0.003 18.887 12.519 1.00 8.09 N ATOM 1825 NH2 ARG A 132 -0.846 21.032 12.667 1.00 9.85 N ATOM 1826 HA ARG A 132 -5.209 18.814 8.029 1.00 0.00 H ATOM 1827 HB2 ARG A 132 -2.207 18.478 8.341 1.00 0.00 H ATOM 1828 HB3 ARG A 132 -3.176 19.862 8.897 1.00 0.00 H ATOM 1829 HG2 ARG A 132 -4.220 18.594 10.585 1.00 0.00 H ATOM 1830 HG3 ARG A 132 -3.703 17.052 9.864 1.00 0.00 H ATOM 1831 HD2 ARG A 132 -1.306 17.841 10.273 1.00 0.00 H ATOM 1832 HD3 ARG A 132 -2.259 17.400 11.709 1.00 0.00 H ATOM 1833 HE ARG A 132 -2.655 20.180 11.210 1.00 0.00 H ATOM 1834 HH12 ARG A 132 0.800 19.155 13.124 1.00 0.00 H ATOM 1835 HH11 ARG A 132 -0.080 17.915 12.156 1.00 0.00 H ATOM 1836 HH22 ARG A 132 -0.048 21.311 13.273 1.00 0.00 H ATOM 1837 HH21 ARG A 132 -1.578 21.727 12.419 1.00 0.00 H ATOM 1838 H ARG A 132 -3.494 16.426 7.688 1.00 0.00 H ATOM 1839 N PRO A 133 -4.697 20.204 6.000 1.00 8.00 N ATOM 1840 CA PRO A 133 -4.377 20.989 4.806 1.00 8.75 C ATOM 1841 C PRO A 133 -2.973 21.607 4.839 1.00 9.11 C ATOM 1842 O PRO A 133 -2.527 22.098 5.881 1.00 9.89 O ATOM 1843 CB PRO A 133 -5.465 22.068 4.804 1.00 9.02 C ATOM 1844 CG PRO A 133 -6.611 21.422 5.502 1.00 9.33 C ATOM 1845 CD PRO A 133 -5.965 20.644 6.607 1.00 8.65 C ATOM 1846 HA PRO A 133 -4.362 20.374 3.906 1.00 0.00 H ATOM 1847 HD3 PRO A 133 -5.786 21.274 7.478 1.00 0.00 H ATOM 1848 HD2 PRO A 133 -6.578 19.791 6.897 1.00 0.00 H ATOM 1849 HG3 PRO A 133 -7.154 20.760 4.827 1.00 0.00 H ATOM 1850 HG2 PRO A 133 -7.294 22.171 5.902 1.00 0.00 H ATOM 1851 HB2 PRO A 133 -5.133 22.955 5.343 1.00 0.00 H ATOM 1852 HB3 PRO A 133 -5.737 22.344 3.785 1.00 0.00 H ATOM 1853 N GLU A 134 -2.274 21.544 3.712 1.00 9.13 N ATOM 1854 CA GLU A 134 -0.951 22.158 3.585 1.00 9.29 C ATOM 1855 C GLU A 134 -1.068 23.615 3.143 1.00 9.00 C ATOM 1856 O GLU A 134 -2.089 24.032 2.586 1.00 9.71 O ATOM 1857 CB GLU A 134 -0.080 21.380 2.596 1.00 9.48 C ATOM 1858 CG GLU A 134 -0.623 21.368 1.174 1.00 9.60 C ATOM 1859 CD GLU A 134 0.216 20.550 0.204 1.00 10.46 C ATOM 1860 OE1 GLU A 134 0.995 19.684 0.646 1.00 12.67 O ATOM 1861 OE2 GLU A 134 0.078 20.768 -1.016 1.00 13.70 O ATOM 1862 HA GLU A 134 -0.476 22.128 4.566 1.00 0.00 H ATOM 1863 HB2 GLU A 134 0.911 21.833 2.581 1.00 0.00 H ATOM 1864 HB3 GLU A 134 -0.003 20.350 2.943 1.00 0.00 H ATOM 1865 HG2 GLU A 134 -1.630 20.951 1.194 1.00 0.00 H ATOM 1866 HG3 GLU A 134 -0.663 22.395 0.812 1.00 0.00 H ATOM 1867 H GLU A 134 -2.678 21.044 2.895 1.00 0.00 H ATOM 1868 N HIS A 135 -0.005 24.372 3.389 1.00 8.02 N ATOM 1869 CA HIS A 135 0.093 25.773 2.991 1.00 7.77 C ATOM 1870 C HIS A 135 1.450 25.977 2.358 1.00 7.42 C ATOM 1871 O HIS A 135 2.459 25.525 2.902 1.00 7.60 O ATOM 1872 CB HIS A 135 -0.019 26.704 4.203 1.00 8.21 C ATOM 1873 CG HIS A 135 -1.254 26.490 5.015 1.00 9.42 C ATOM 1874 ND1 HIS A 135 -2.377 27.276 4.884 1.00 12.09 N ATOM 1875 CD2 HIS A 135 -1.547 25.564 5.958 1.00 10.75 C ATOM 1876 CE1 HIS A 135 -3.305 26.852 5.723 1.00 12.40 C ATOM 1877 NE2 HIS A 135 -2.829 25.812 6.384 1.00 12.21 N ATOM 1878 HA HIS A 135 -0.718 26.006 2.301 1.00 0.00 H ATOM 1879 HB2 HIS A 135 0.847 26.540 4.844 1.00 0.00 H ATOM 1880 HB3 HIS A 135 -0.016 27.734 3.847 1.00 0.00 H ATOM 1881 HD2 HIS A 135 -0.889 24.771 6.313 1.00 0.00 H ATOM 1882 HE1 HIS A 135 -4.297 27.287 5.849 1.00 0.00 H ATOM 1883 H HIS A 135 0.799 23.945 3.891 1.00 0.00 H ATOM 1884 N VAL A 136 1.477 26.661 1.225 1.00 7.18 N ATOM 1885 CA VAL A 136 2.725 26.929 0.514 1.00 7.36 C ATOM 1886 C VAL A 136 3.200 28.332 0.888 1.00 7.26 C ATOM 1887 O VAL A 136 2.470 29.310 0.715 1.00 8.40 O ATOM 1888 CB VAL A 136 2.546 26.790 -1.017 1.00 7.54 C ATOM 1889 CG1 VAL A 136 3.861 27.031 -1.732 1.00 8.93 C ATOM 1890 CG2 VAL A 136 1.990 25.401 -1.370 1.00 8.82 C ATOM 1891 HA VAL A 136 3.475 26.195 0.807 1.00 0.00 H ATOM 1892 HB VAL A 136 1.831 27.543 -1.348 1.00 0.00 H ATOM 1893 HG11 VAL A 136 4.216 28.037 -1.507 1.00 0.00 H ATOM 1894 HG12 VAL A 136 4.596 26.301 -1.394 1.00 0.00 H ATOM 1895 HG13 VAL A 136 3.713 26.928 -2.807 1.00 0.00 H ATOM 1896 HG21 VAL A 136 2.683 24.635 -1.023 1.00 0.00 H ATOM 1897 HG22 VAL A 136 1.023 25.264 -0.886 1.00 0.00 H ATOM 1898 HG23 VAL A 136 1.871 25.323 -2.451 1.00 0.00 H ATOM 1899 H VAL A 136 0.584 27.018 0.829 1.00 0.00 H ATOM 1900 N VAL A 137 4.423 28.416 1.400 1.00 6.48 N ATOM 1901 CA VAL A 137 4.961 29.644 1.990 1.00 6.55 C ATOM 1902 C VAL A 137 6.030 30.270 1.081 1.00 6.38 C ATOM 1903 O VAL A 137 6.194 31.498 1.051 1.00 6.65 O ATOM 1904 CB VAL A 137 5.551 29.332 3.393 1.00 5.99 C ATOM 1905 CG1 VAL A 137 6.209 30.556 4.024 1.00 7.55 C ATOM 1906 CG2 VAL A 137 4.466 28.777 4.318 1.00 6.90 C ATOM 1907 HA VAL A 137 4.151 30.366 2.094 1.00 0.00 H ATOM 1908 HB VAL A 137 6.326 28.578 3.257 1.00 0.00 H ATOM 1909 HG11 VAL A 137 7.020 30.902 3.383 1.00 0.00 H ATOM 1910 HG12 VAL A 137 5.469 31.348 4.135 1.00 0.00 H ATOM 1911 HG13 VAL A 137 6.607 30.289 5.003 1.00 0.00 H ATOM 1912 HG21 VAL A 137 3.669 29.513 4.424 1.00 0.00 H ATOM 1913 HG22 VAL A 137 4.061 27.860 3.891 1.00 0.00 H ATOM 1914 HG23 VAL A 137 4.898 28.564 5.296 1.00 0.00 H ATOM 1915 H VAL A 137 5.027 27.570 1.381 1.00 0.00 H ATOM 1916 N TYR A 138 6.760 29.424 0.355 1.00 6.23 N ATOM 1917 CA TYR A 138 7.764 29.888 -0.596 1.00 6.11 C ATOM 1918 C TYR A 138 7.135 30.297 -1.930 1.00 6.27 C ATOM 1919 O TYR A 138 6.181 29.668 -2.399 1.00 7.02 O ATOM 1920 CB TYR A 138 8.861 28.826 -0.824 1.00 5.91 C ATOM 1921 CG TYR A 138 9.876 29.303 -1.835 1.00 5.81 C ATOM 1922 CD1 TYR A 138 10.850 30.235 -1.479 1.00 6.12 C ATOM 1923 CD2 TYR A 138 9.811 28.896 -3.169 1.00 6.35 C ATOM 1924 CE1 TYR A 138 11.749 30.735 -2.413 1.00 6.60 C ATOM 1925 CE2 TYR A 138 10.715 29.387 -4.116 1.00 6.58 C ATOM 1926 CZ TYR A 138 11.682 30.306 -3.724 1.00 6.41 C ATOM 1927 OH TYR A 138 12.574 30.805 -4.647 1.00 7.52 O ATOM 1928 HA TYR A 138 8.229 30.771 -0.157 1.00 0.00 H ATOM 1929 HB3 TYR A 138 8.399 27.909 -1.188 1.00 0.00 H ATOM 1930 HB2 TYR A 138 9.366 28.626 0.121 1.00 0.00 H ATOM 1931 HD2 TYR A 138 9.044 28.185 -3.477 1.00 0.00 H ATOM 1932 HE2 TYR A 138 10.662 29.052 -5.152 1.00 0.00 H ATOM 1933 HE1 TYR A 138 12.503 31.462 -2.112 1.00 0.00 H ATOM 1934 HD1 TYR A 138 10.907 30.579 -0.446 1.00 0.00 H ATOM 1935 HH TYR A 138 13.187 31.441 -4.201 1.00 0.00 H ATOM 1936 H TYR A 138 6.609 28.401 0.470 1.00 0.00 H ATOM 1937 N ARG A 139 7.680 31.349 -2.540 1.00 6.67 N ATOM 1938 CA ARG A 139 7.370 31.681 -3.937 1.00 6.90 C ATOM 1939 C ARG A 139 8.633 32.177 -4.628 1.00 6.40 C ATOM 1940 O ARG A 139 9.545 32.699 -3.973 1.00 6.55 O ATOM 1941 CB ARG A 139 6.242 32.710 -4.051 1.00 7.42 C ATOM 1942 CG ARG A 139 6.424 33.975 -3.225 1.00 8.11 C ATOM 1943 CD ARG A 139 5.260 34.918 -3.474 1.00 10.96 C ATOM 1944 NE ARG A 139 5.049 35.891 -2.408 1.00 12.87 N ATOM 1945 CZ ARG A 139 5.675 37.059 -2.315 1.00 13.88 C ATOM 1946 NH1 ARG A 139 6.592 37.416 -3.211 1.00 13.98 N ATOM 1947 NH2 ARG A 139 5.381 37.869 -1.309 1.00 14.31 N ATOM 1948 HA ARG A 139 7.014 30.777 -4.432 1.00 0.00 H ATOM 1949 HB2 ARG A 139 6.157 33.001 -5.098 1.00 0.00 H ATOM 1950 HB3 ARG A 139 5.316 32.231 -3.732 1.00 0.00 H ATOM 1951 HG2 ARG A 139 6.461 33.716 -2.167 1.00 0.00 H ATOM 1952 HG3 ARG A 139 7.355 34.464 -3.511 1.00 0.00 H ATOM 1953 HD2 ARG A 139 4.353 34.323 -3.581 1.00 0.00 H ATOM 1954 HD3 ARG A 139 5.449 35.460 -4.401 1.00 0.00 H ATOM 1955 HE ARG A 139 4.359 35.653 -1.667 1.00 0.00 H ATOM 1956 HH12 ARG A 139 7.074 38.334 -3.125 1.00 0.00 H ATOM 1957 HH11 ARG A 139 6.827 36.777 -3.997 1.00 0.00 H ATOM 1958 HH22 ARG A 139 5.863 38.787 -1.223 1.00 0.00 H ATOM 1959 HH21 ARG A 139 4.669 37.587 -0.606 1.00 0.00 H ATOM 1960 H ARG A 139 8.343 31.952 -2.012 1.00 0.00 H ATOM 1961 N SER A 140 8.681 32.024 -5.949 1.00 6.50 N ATOM 1962 CA SER A 140 9.890 32.337 -6.711 1.00 6.68 C ATOM 1963 C SER A 140 10.351 33.789 -6.572 1.00 7.07 C ATOM 1964 O SER A 140 11.540 34.081 -6.702 1.00 7.45 O ATOM 1965 CB SER A 140 9.698 31.993 -8.183 1.00 6.28 C ATOM 1966 OG SER A 140 8.724 32.824 -8.783 1.00 6.04 O ATOM 1967 HA SER A 140 10.679 31.720 -6.282 1.00 0.00 H ATOM 1968 HB2 SER A 140 9.379 30.954 -8.266 1.00 0.00 H ATOM 1969 HB3 SER A 140 10.646 32.123 -8.705 1.00 0.00 H ATOM 1970 HG SER A 140 8.623 32.576 -9.736 1.00 0.00 H ATOM 1971 H SER A 140 7.840 31.674 -6.451 1.00 0.00 H ATOM 1972 N THR A 141 9.401 34.682 -6.313 1.00 7.45 N ATOM 1973 CA THR A 141 9.675 36.112 -6.165 1.00 8.21 C ATOM 1974 C THR A 141 10.193 36.504 -4.779 1.00 8.51 C ATOM 1975 O THR A 141 10.457 37.680 -4.524 1.00 9.33 O ATOM 1976 CB THR A 141 8.421 36.932 -6.504 1.00 8.38 C ATOM 1977 OG1 THR A 141 7.287 36.350 -5.849 1.00 9.55 O ATOM 1978 CG2 THR A 141 8.184 36.941 -8.013 1.00 9.07 C ATOM 1979 HA THR A 141 10.477 36.338 -6.868 1.00 0.00 H ATOM 1980 HB THR A 141 8.564 37.958 -6.163 1.00 0.00 H ATOM 1981 HG1 THR A 141 6.477 36.876 -6.065 1.00 0.00 H ATOM 1982 HG23 THR A 141 9.046 37.384 -8.512 1.00 0.00 H ATOM 1983 HG21 THR A 141 8.045 35.918 -8.364 1.00 0.00 H ATOM 1984 HG22 THR A 141 7.293 37.527 -8.236 1.00 0.00 H ATOM 1985 H THR A 141 8.421 34.350 -6.211 1.00 0.00 H ATOM 1986 N CYS A 142 10.344 35.532 -3.880 1.00 8.16 N ATOM 1987 CA CYS A 142 10.978 35.809 -2.589 1.00 8.58 C ATOM 1988 C CYS A 142 12.385 36.354 -2.818 1.00 9.15 C ATOM 1989 O CYS A 142 13.108 35.857 -3.684 1.00 9.40 O ATOM 1990 CB CYS A 142 11.062 34.544 -1.737 1.00 8.32 C ATOM 1991 SG CYS A 142 9.498 34.021 -1.034 1.00 7.82 S ATOM 1992 HA CYS A 142 10.372 36.545 -2.061 1.00 0.00 H ATOM 1993 HB2 CYS A 142 11.759 34.729 -0.920 1.00 0.00 H ATOM 1994 HB3 CYS A 142 11.443 33.736 -2.362 1.00 0.00 H ATOM 1995 H CYS A 142 10.010 34.571 -4.096 1.00 0.00 H ATOM 1996 N PRO A 143 12.782 37.384 -2.046 1.00 9.92 N ATOM 1997 CA PRO A 143 14.164 37.860 -2.169 1.00 9.95 C ATOM 1998 C PRO A 143 15.180 36.784 -1.815 1.00 10.41 C ATOM 1999 O PRO A 143 14.858 35.848 -1.072 1.00 10.09 O ATOM 2000 CB PRO A 143 14.240 39.001 -1.143 1.00 10.37 C ATOM 2001 CG PRO A 143 12.831 39.422 -0.931 1.00 10.28 C ATOM 2002 CD PRO A 143 12.017 38.166 -1.061 1.00 10.20 C ATOM 2003 HA PRO A 143 14.398 38.160 -3.191 1.00 0.00 H ATOM 2004 HD3 PRO A 143 11.950 37.641 -0.108 1.00 0.00 H ATOM 2005 HD2 PRO A 143 11.013 38.384 -1.426 1.00 0.00 H ATOM 2006 HG3 PRO A 143 12.532 40.150 -1.685 1.00 0.00 H ATOM 2007 HG2 PRO A 143 12.707 39.856 0.061 1.00 0.00 H ATOM 2008 HB2 PRO A 143 14.680 38.649 -0.210 1.00 0.00 H ATOM 2009 HB3 PRO A 143 14.833 39.828 -1.533 1.00 0.00 H ATOM 2010 N ASN A 144 16.391 36.920 -2.350 1.00 10.87 N ATOM 2011 CA ASN A 144 17.529 36.094 -1.967 1.00 11.24 C ATOM 2012 C ASN A 144 17.796 36.226 -0.474 1.00 10.83 C ATOM 2013 O ASN A 144 17.466 37.246 0.136 1.00 10.52 O ATOM 2014 CB ASN A 144 18.779 36.511 -2.754 1.00 11.97 C ATOM 2015 CG ASN A 144 18.701 36.144 -4.227 1.00 14.66 C ATOM 2016 OD1 ASN A 144 18.048 35.176 -4.611 1.00 16.55 O ATOM 2017 ND2 ASN A 144 19.384 36.921 -5.059 1.00 17.12 N ATOM 2018 HA ASN A 144 17.294 35.055 -2.197 1.00 0.00 H ATOM 2019 HB2 ASN A 144 18.899 37.591 -2.670 1.00 0.00 H ATOM 2020 HB3 ASN A 144 19.646 36.016 -2.317 1.00 0.00 H ATOM 2021 HD22 ASN A 144 19.923 37.730 -4.690 1.00 0.00 H ATOM 2022 HD21 ASN A 144 19.380 36.720 -6.079 1.00 0.00 H ATOM 2023 H ASN A 144 16.532 37.651 -3.076 1.00 0.00 H ATOM 2024 N LEU A 145 18.387 35.187 0.108 1.00 10.52 N ATOM 2025 CA LEU A 145 18.684 35.174 1.536 1.00 10.50 C ATOM 2026 C LEU A 145 19.733 36.222 1.921 1.00 10.82 C ATOM 2027 O LEU A 145 20.496 36.676 1.068 1.00 10.74 O ATOM 2028 CB LEU A 145 19.123 33.767 1.965 1.00 10.09 C ATOM 2029 CG LEU A 145 18.068 32.672 1.760 1.00 10.49 C ATOM 2030 CD1 LEU A 145 18.609 31.356 2.244 1.00 11.53 C ATOM 2031 CD2 LEU A 145 16.782 33.008 2.494 1.00 11.53 C ATOM 2032 HA LEU A 145 17.771 35.440 2.069 1.00 0.00 H ATOM 2033 HB2 LEU A 145 20.008 33.497 1.389 1.00 0.00 H ATOM 2034 HB3 LEU A 145 19.377 33.799 3.025 1.00 0.00 H ATOM 2035 HG LEU A 145 17.841 32.605 0.696 1.00 0.00 H ATOM 2036 HD21 LEU A 145 16.987 33.100 3.561 1.00 0.00 H ATOM 2037 HD22 LEU A 145 16.385 33.950 2.116 1.00 0.00 H ATOM 2038 HD23 LEU A 145 16.054 32.214 2.330 1.00 0.00 H ATOM 2039 HD11 LEU A 145 19.508 31.105 1.681 1.00 0.00 H ATOM 2040 HD12 LEU A 145 18.852 31.432 3.304 1.00 0.00 H ATOM 2041 HD13 LEU A 145 17.858 30.580 2.097 1.00 0.00 H ATOM 2042 H LEU A 145 18.644 34.362 -0.470 1.00 0.00 H ATOM 2043 N PRO A 146 19.750 36.638 3.199 1.00 11.16 N ATOM 2044 CA PRO A 146 20.774 37.570 3.678 1.00 11.87 C ATOM 2045 C PRO A 146 22.172 37.054 3.371 1.00 12.73 C ATOM 2046 O PRO A 146 22.443 35.861 3.531 1.00 12.44 O ATOM 2047 CB PRO A 146 20.537 37.600 5.190 1.00 11.94 C ATOM 2048 CG PRO A 146 19.103 37.258 5.355 1.00 11.83 C ATOM 2049 CD PRO A 146 18.790 36.282 4.261 1.00 10.77 C ATOM 2050 HA PRO A 146 20.707 38.551 3.207 1.00 0.00 H ATOM 2051 HD3 PRO A 146 18.943 35.257 4.597 1.00 0.00 H ATOM 2052 HD2 PRO A 146 17.763 36.400 3.915 1.00 0.00 H ATOM 2053 HG3 PRO A 146 18.485 38.151 5.257 1.00 0.00 H ATOM 2054 HG2 PRO A 146 18.930 36.804 6.331 1.00 0.00 H ATOM 2055 HB2 PRO A 146 21.167 36.866 5.693 1.00 0.00 H ATOM 2056 HB3 PRO A 146 20.744 38.592 5.592 1.00 0.00 H ATOM 2057 N GLN A 147 23.044 37.957 2.933 1.00 13.87 N ATOM 2058 CA GLN A 147 24.380 37.588 2.481 1.00 15.20 C ATOM 2059 C GLN A 147 25.452 37.971 3.495 1.00 15.96 C ATOM 2060 O GLN A 147 26.529 37.372 3.518 1.00 17.28 O ATOM 2061 CB GLN A 147 24.681 38.240 1.129 1.00 15.29 C ATOM 2062 CG GLN A 147 23.670 37.923 0.034 1.00 16.04 C ATOM 2063 CD GLN A 147 23.729 36.473 -0.421 1.00 19.87 C ATOM 2064 OE1 GLN A 147 22.757 35.726 -0.293 1.00 18.20 O ATOM 2065 NE2 GLN A 147 24.877 36.064 -0.941 1.00 16.98 N ATOM 2066 HA GLN A 147 24.399 36.503 2.374 1.00 0.00 H ATOM 2067 HB2 GLN A 147 24.703 39.321 1.270 1.00 0.00 H ATOM 2068 HB3 GLN A 147 25.661 37.898 0.797 1.00 0.00 H ATOM 2069 HG2 GLN A 147 22.669 38.129 0.414 1.00 0.00 H ATOM 2070 HG3 GLN A 147 23.871 38.566 -0.823 1.00 0.00 H ATOM 2071 HE22 GLN A 147 25.673 36.727 -1.031 1.00 0.00 H ATOM 2072 HE21 GLN A 147 24.982 35.079 -1.259 1.00 0.00 H ATOM 2073 H GLN A 147 22.764 38.958 2.912 1.00 0.00 H TER 2074 GLN A 147 HETATM 2075 O HOH 1 9.556 30.677 2.295 1.00 6.82 O HETATM 2076 O HOH 2 7.741 21.668 19.436 1.00 7.49 O HETATM 2077 O HOH 3 -3.373 16.557 4.290 1.00 6.56 O HETATM 2078 O HOH 4 12.032 31.944 10.183 1.00 9.49 O HETATM 2079 O HOH 5 5.723 25.582 13.589 1.00 9.35 O HETATM 2080 O HOH 6 13.865 25.434 15.633 1.00 8.58 O HETATM 2081 O HOH 7 21.191 27.320 6.907 1.00 6.06 O HETATM 2082 O HOH 8 11.274 24.987 12.335 1.00 5.66 O HETATM 2083 O HOH 9 24.259 22.001 20.616 1.00 10.42 O HETATM 2084 O HOH 10 5.064 26.472 10.156 1.00 6.85 O HETATM 2085 O HOH 11 23.376 33.396 9.776 1.00 8.99 O HETATM 2086 O HOH 12 -0.941 14.060 3.703 1.00 13.72 O HETATM 2087 O HOH 13 9.544 14.215 -4.369 1.00 7.69 O HETATM 2088 O HOH 14 0.491 29.636 6.103 1.00 13.34 O HETATM 2089 O HOH 15 21.828 14.944 19.522 1.00 12.56 O HETATM 2090 O HOH 16 18.702 30.169 20.930 1.00 13.19 O HETATM 2091 O HOH 17 15.335 7.966 9.276 1.00 12.93 O HETATM 2092 O HOH 18 4.914 34.020 9.951 1.00 15.22 O HETATM 2093 O HOH 19 17.332 35.858 19.303 1.00 12.95 O HETATM 2094 O HOH 20 11.118 9.668 4.545 1.00 12.87 O HETATM 2095 O HOH 21 15.307 9.241 -2.276 1.00 12.55 O HETATM 2096 O HOH 22 15.899 17.762 -3.193 1.00 8.97 O HETATM 2097 O HOH 23 16.733 42.175 14.009 1.00 13.50 O HETATM 2098 O HOH 24 18.087 12.350 13.274 1.00 9.04 O HETATM 2099 O HOH 25 0.599 16.808 -0.158 1.00 9.94 O HETATM 2100 O HOH 26 8.244 28.005 11.705 1.00 15.51 O HETATM 2101 O HOH 27 2.904 32.213 3.294 1.00 11.08 O HETATM 2102 O HOH 28 21.550 16.099 22.898 1.00 16.67 O HETATM 2103 O HOH 29 13.343 38.525 11.309 1.00 10.80 O HETATM 2104 O HOH 30 22.739 12.609 2.980 1.00 15.16 O HETATM 2105 O HOH 31 18.850 19.604 4.606 1.00 10.21 O HETATM 2106 O HOH 32 -4.161 13.915 10.453 1.00 11.41 O HETATM 2107 O HOH 33 8.710 17.005 18.776 1.00 20.28 O HETATM 2108 O HOH 34 25.462 18.886 7.112 1.00 11.50 O HETATM 2109 O HOH 35 19.710 25.408 8.448 1.00 6.04 O HETATM 2110 O HOH 36 18.334 9.493 2.936 1.00 15.08 O HETATM 2111 O HOH 37 6.472 8.814 8.452 1.00 15.03 O HETATM 2112 O HOH 38 7.747 33.559 9.624 1.00 12.46 O HETATM 2113 O HOH 39 7.801 9.817 -3.801 1.00 11.64 O HETATM 2114 O HOH 40 5.560 19.445 18.196 1.00 16.89 O HETATM 2115 O HOH 41 22.915 16.108 15.895 1.00 13.36 O HETATM 2116 O HOH 42 20.213 27.561 21.112 1.00 20.47 O HETATM 2117 O HOH 43 -8.856 16.573 5.426 1.00 10.08 O HETATM 2118 O HOH 44 26.146 14.465 13.308 1.00 13.93 O HETATM 2119 O HOH 45 28.583 28.804 16.918 1.00 13.87 O HETATM 2120 O HOH 46 24.782 28.306 5.536 1.00 10.24 O HETATM 2121 O HOH 47 23.130 25.825 5.564 1.00 8.13 O HETATM 2122 O HOH 48 17.226 41.907 4.543 1.00 24.48 O HETATM 2123 O HOH 49 2.905 36.995 3.585 1.00 18.45 O HETATM 2124 O HOH 50 13.761 33.182 -4.071 1.00 13.92 O HETATM 2125 O HOH 51 10.165 33.876 10.907 1.00 16.05 O HETATM 2126 O HOH 52 8.734 28.340 21.200 1.00 13.82 O HETATM 2127 O HOH 53 -3.330 22.277 8.338 1.00 16.75 O HETATM 2128 O HOH 54 15.340 5.348 8.178 1.00 15.64 O HETATM 2129 O HOH 55 6.582 26.869 21.682 1.00 13.87 O HETATM 2130 O HOH 56 -2.719 24.354 13.596 1.00 14.52 O HETATM 2131 O HOH 57 31.021 28.754 9.723 1.00 15.11 O HETATM 2132 O HOH 58 29.319 17.425 15.030 1.00 16.41 O HETATM 2133 O HOH 59 12.828 28.016 15.164 1.00 15.25 O HETATM 2134 O HOH 60 0.944 31.504 11.781 1.00 20.10 O HETATM 2135 O HOH 61 4.678 17.222 -0.525 1.00 16.29 O HETATM 2136 O HOH 62 24.013 10.735 9.532 1.00 12.48 O HETATM 2137 O HOH 63 12.563 8.694 6.605 1.00 13.11 O HETATM 2138 O HOH 64 8.960 19.537 18.115 1.00 14.71 O HETATM 2139 O HOH 65 24.761 15.450 6.106 1.00 10.11 O HETATM 2140 O HOH 66 4.772 37.045 -6.523 1.00 15.81 O HETATM 2141 O HOH 67 15.126 34.544 18.575 1.00 19.78 O HETATM 2142 O HOH 68 -3.275 25.282 -2.800 1.00 24.74 O HETATM 2143 O HOH 69 11.056 27.726 12.855 1.00 21.46 O HETATM 2144 O HOH 70 20.932 40.488 15.595 1.00 15.64 O HETATM 2145 O HOH 71 24.511 15.522 3.390 1.00 10.92 O HETATM 2146 O HOH 72 10.246 21.167 -10.117 1.00 20.39 O HETATM 2147 O HOH 73 12.312 36.260 -8.678 1.00 20.92 O HETATM 2148 O HOH 74 7.847 15.282 -6.316 1.00 16.01 O HETATM 2149 O HOH 75 23.243 28.037 22.089 1.00 31.99 O HETATM 2150 O HOH 76 15.843 41.293 1.343 1.00 20.64 O HETATM 2151 O HOH 77 17.784 39.793 0.484 1.00 25.66 O HETATM 2152 O HOH 78 0.597 22.394 -3.378 1.00 14.95 O HETATM 2153 O HOH 79 16.932 25.014 -7.829 1.00 16.81 O HETATM 2154 O HOH 80 11.674 31.385 20.548 1.00 22.93 O HETATM 2155 O HOH 81 -2.277 23.042 11.334 1.00 15.84 O HETATM 2156 O HOH 82 -1.021 27.741 0.372 1.00 22.07 O HETATM 2157 O HOH 83 3.525 20.623 -3.626 1.00 22.35 O HETATM 2158 O HOH 84 12.070 30.053 12.154 1.00 21.74 O HETATM 2159 O HOH 85 16.827 19.643 -4.912 1.00 22.44 O HETATM 2160 O HOH 86 15.371 26.052 24.369 1.00 23.77 O HETATM 2161 O HOH 87 -2.174 14.731 12.182 1.00 19.64 O HETATM 2162 O HOH 88 5.836 27.597 15.349 1.00 24.32 O HETATM 2163 O HOH 89 8.970 17.935 -4.875 1.00 13.18 O HETATM 2164 O HOH 90 31.262 29.066 18.413 1.00 29.01 O HETATM 2165 O HOH 91 26.178 13.478 16.592 1.00 16.91 O HETATM 2166 O HOH 92 24.965 19.129 20.664 1.00 20.01 O HETATM 2167 O HOH 93 -0.216 33.450 4.895 1.00 21.95 O HETATM 2168 O HOH 94 1.072 30.180 3.440 1.00 24.38 O HETATM 2169 O HOH 95 10.447 36.446 11.965 1.00 21.11 O HETATM 2170 O HOH 96 27.375 22.233 22.940 1.00 25.67 O HETATM 2171 O HOH 97 24.485 11.373 4.731 1.00 16.55 O HETATM 2172 O HOH 98 22.367 21.734 -1.876 1.00 14.43 O HETATM 2173 O HOH 99 22.002 4.929 4.647 1.00 23.12 O HETATM 2174 O HOH 100 24.095 34.357 7.359 1.00 17.63 O HETATM 2175 O HOH 101 34.424 22.912 15.897 1.00 17.84 O HETATM 2176 O HOH 102 4.793 40.513 4.255 1.00 32.06 O HETATM 2177 O HOH 103 13.666 36.522 -6.395 1.00 19.27 O HETATM 2178 O HOH 104 11.915 38.435 13.651 1.00 18.91 O HETATM 2179 O HOH 105 6.570 19.570 -4.139 1.00 35.34 O HETATM 2180 O HOH 106 15.082 29.695 -7.697 1.00 25.45 O HETATM 2181 O HOH 107 13.793 32.579 -7.257 1.00 21.84 O HETATM 2182 O HOH 108 9.629 38.862 10.629 1.00 18.93 O HETATM 2183 O HOH 109 -0.679 19.322 16.047 1.00 26.39 O HETATM 2184 O HOH 110 23.218 37.785 10.259 1.00 21.04 O HETATM 2185 O HOH 111 29.311 27.500 21.044 1.00 25.09 O HETATM 2186 O HOH 112 1.565 26.192 16.029 1.00 21.82 O HETATM 2187 O HOH 113 -1.600 30.612 3.835 1.00 43.31 O HETATM 2188 O HOH 114 20.556 23.048 22.867 1.00 19.21 O HETATM 2189 O HOH 115 23.467 9.896 6.904 1.00 21.36 O HETATM 2190 O HOH 116 13.384 9.760 8.835 1.00 17.84 O HETATM 2191 O HOH 117 16.916 39.187 -3.965 1.00 22.85 O HETATM 2192 O HOH 118 19.494 33.144 -1.553 1.00 22.04 O HETATM 2193 O HOH 119 0.901 36.642 -0.668 1.00 34.68 O HETATM 2194 O HOH 120 5.164 38.444 10.581 1.00 38.42 O HETATM 2195 O HOH 121 30.834 22.946 9.440 1.00 21.97 O HETATM 2196 O HOH 122 9.607 7.548 3.936 1.00 27.15 O HETATM 2197 O HOH 123 8.193 47.108 8.304 1.00 35.32 O HETATM 2198 O HOH 124 22.412 36.313 17.884 1.00 24.00 O HETATM 2199 O HOH 125 -1.205 23.380 -1.637 1.00 50.66 O HETATM 2200 O HOH 126 -4.669 25.228 8.341 1.00 19.56 O HETATM 2201 O HOH 127 -0.921 10.212 6.794 1.00 23.90 O HETATM 2202 O HOH 128 10.514 25.249 -8.550 1.00 23.20 O HETATM 2203 O HOH 129 13.586 41.133 12.551 1.00 24.78 O HETATM 2204 O HOH 130 2.877 33.510 11.800 1.00 29.11 O HETATM 2205 O HOH 131 -4.729 26.916 -1.185 1.00 47.18 O HETATM 2206 O HOH 132 -4.638 25.411 3.198 1.00 27.54 O HETATM 2207 O HOH 133 27.188 35.414 10.748 1.00 27.62 O HETATM 2208 O HOH 134 15.504 18.280 -8.815 1.00 15.47 O HETATM 2209 O HOH 135 1.608 36.184 8.411 1.00 31.61 O HETATM 2210 O HOH 136 22.041 28.856 -2.576 1.00 34.05 O HETATM 2211 O HOH 137 26.277 31.175 2.684 1.00 26.71 O HETATM 2212 O HOH 138 34.457 26.786 12.295 1.00 32.80 O HETATM 2213 O HOH 139 20.479 11.349 3.079 1.00 30.87 O HETATM 2214 O HOH 140 31.877 31.610 17.731 1.00 51.62 O HETATM 2215 O HOH 141 10.879 7.556 -1.615 1.00 20.12 O HETATM 2216 O HOH 142 2.196 13.130 12.243 1.00 32.19 O HETATM 2217 O HOH 143 24.103 15.506 18.432 1.00 24.11 O HETATM 2218 O HOH 144 0.115 18.679 18.628 1.00 31.45 O HETATM 2219 O HOH 145 22.181 41.326 5.063 1.00 29.66 O HETATM 2220 O HOH 146 9.884 45.230 7.279 1.00 39.93 O HETATM 2221 O HOH 147 8.626 39.424 -3.308 1.00 32.43 O HETATM 2222 O HOH 148 -3.839 26.684 10.402 1.00 22.30 O HETATM 2223 O HOH 149 3.614 29.145 15.445 1.00 27.49 O HETATM 2224 O HOH 150 24.316 27.692 -1.615 1.00 34.48 O HETATM 2225 O HOH 151 6.939 40.486 8.267 1.00 26.40 O HETATM 2226 O HOH 152 26.186 30.266 19.017 1.00 39.22 O HETATM 2227 O HOH 153 29.793 31.451 8.606 1.00 24.26 O HETATM 2228 O HOH 154 8.694 30.989 12.937 1.00 46.35 O HETATM 2229 O HOH 155 4.012 32.501 -0.929 1.00 30.34 O HETATM 2230 O HOH 156 21.309 9.721 5.474 1.00 25.26 O HETATM 2231 O HOH 157 19.327 21.277 -4.647 1.00 25.91 O HETATM 2232 O HOH 158 4.133 39.603 8.340 1.00 43.99 O HETATM 2233 O HOH 159 24.277 26.089 23.620 1.00 39.47 O HETATM 2234 O HOH 160 0.506 35.309 2.471 1.00 28.46 O HETATM 2235 O HOH 161 22.164 40.632 2.289 1.00 22.94 O HETATM 2236 O HOH 162 16.404 33.149 -3.718 1.00 55.11 O HETATM 2237 O HOH 163 4.325 14.191 13.542 1.00 27.23 O HETATM 2238 O HOH 164 30.272 27.009 6.692 1.00 20.91 O HETATM 2239 O HOH 165 10.912 7.025 8.004 1.00 28.98 O HETATM 2240 O HOH 166 -4.017 16.801 13.391 1.00 24.74 O HETATM 2241 O HOH 167 26.472 31.096 5.881 1.00 23.82 O HETATM 2242 O HOH 168 8.759 16.222 -12.716 1.00 23.00 O HETATM 2243 O HOH 169 26.688 33.739 6.100 1.00 25.46 O HETATM 2244 O HOH 170 18.275 27.906 -6.840 1.00 30.68 O HETATM 2245 O HOH 171 17.901 28.172 23.049 1.00 28.27 O HETATM 2246 O HOH 172 11.995 31.502 16.410 1.00 37.98 O HETATM 2247 O HOH 173 30.670 29.649 -0.044 1.00 47.30 O HETATM 2248 O HOH 174 1.847 16.626 14.548 1.00 38.03 O HETATM 2249 O HOH 175 25.127 41.906 1.460 1.00 31.70 O HETATM 2250 O HOH 176 20.516 39.023 -0.534 1.00 28.31 O HETATM 2251 O HOH 177 32.003 31.093 14.995 1.00 71.74 O HETATM 2252 O HOH 178 -6.205 13.676 14.079 1.00 36.03 O HETATM 2253 O HOH 179 8.764 10.708 11.474 1.00 29.13 O HETATM 2254 O HOH 180 10.553 15.774 20.348 1.00 26.77 O HETATM 2255 O HOH 181 24.490 33.644 1.008 1.00 93.67 O HETATM 2256 O HOH 182 5.881 22.996 -6.268 1.00 26.57 O HETATM 2257 O HOH 183 11.222 39.959 -5.781 1.00 33.57 O HETATM 2258 O HOH 184 18.739 40.554 -1.943 1.00 43.11 O HETATM 2259 O HOH 185 8.918 6.606 1.543 1.00 25.85 O HETATM 2260 O HOH 186 28.741 29.659 5.655 1.00 32.42 O HETATM 2261 O HOH 187 33.556 24.975 20.933 1.00 35.42 O HETATM 2262 O HOH 188 6.662 11.066 13.839 1.00 39.99 O HETATM 2263 O HOH 189 14.552 17.233 21.777 1.00 29.08 O HETATM 2264 O HOH 190 32.417 32.093 10.489 1.00 28.71 O HETATM 2265 O HOH 191 7.256 18.297 -11.662 1.00 31.68 O HETATM 2266 O HOH 192 33.858 27.051 15.040 1.00 31.72 O HETATM 2267 O HOH 193 27.309 31.263 16.898 1.00 22.69 O HETATM 2268 O HOH 194 0.178 21.746 15.470 1.00 18.41 O HETATM 2269 O HOH 195 -4.082 21.676 1.433 1.00 28.87 O HETATM 2270 O HOH 196 14.839 14.903 20.588 1.00 25.69 O HETATM 2271 O HOH 197 13.029 22.251 -12.025 1.00 36.13 O HETATM 2272 O HOH 198 20.777 39.227 -3.195 1.00 42.43 O HETATM 2273 O HOH 199 22.848 37.609 -3.320 1.00 37.30 O HETATM 2274 O HOH 200 -0.126 11.755 10.649 1.00 36.75 O HETATM 2275 O HOH 201 28.471 14.717 15.880 1.00 80.98 O HETATM 2276 O HOH 202 8.405 40.969 -6.368 1.00 56.62 O HETATM 2277 O HOH 203 2.881 37.390 -4.096 1.00 34.67 O HETATM 2278 O HOH 204 7.213 37.235 11.869 1.00 76.63 O HETATM 2279 O HOH 205 29.612 32.616 16.385 1.00 45.48 O HETATM 2280 O HOH 206 19.361 21.474 -7.472 1.00 33.55 O HETATM 2281 O HOH 207 33.494 29.308 12.397 1.00 44.15 O HETATM 2282 O HOH 208 -3.174 30.503 5.908 1.00 30.02 O HETATM 2283 O HOH 209 22.263 32.308 0.174 1.00 17.90 O HETATM 2284 O HOH 210 30.985 29.497 7.221 1.00 25.16 O HETATM 2285 O HOH 211 10.898 10.070 13.099 1.00 33.03 O HETATM 2286 O HOH 212 11.747 12.014 14.823 1.00 32.92 O HETATM 2287 O HOH 213 11.084 9.400 17.455 1.00 33.87 O HETATM 2288 O HOH 214 -3.875 33.526 6.526 1.00 43.94 O HETATM 2289 O HOH 215 22.111 34.996 -3.394 1.00 54.91 O HETATM 2290 O HOH 216 0.272 16.068 11.855 1.00 11.09 O HETATM 2291 O HOH 217 14.322 14.389 18.422 1.00 19.33 O HETATM 2292 O HOH 218 7.277 43.802 0.946 1.00 19.90 O HETATM 2293 O HOH 219 13.900 4.852 5.915 1.00 27.55 O HETATM 2294 O HOH 220 8.507 6.878 11.034 1.00 37.27 O HETATM 2295 O HOH 221 25.288 33.889 -2.485 1.00 32.73 O HETATM 2296 O HOH 222 4.973 48.247 6.419 1.00 65.98 O HETATM 2297 O HOH 223 18.454 1.523 4.199 1.00 33.76 O HETATM 2298 O HOH 224 19.834 17.479 25.483 1.00 38.01 O HETATM 2299 O HOH 225 20.297 37.591 -7.554 1.00 38.06 O HETATM 2300 O HOH 226 12.923 16.432 19.415 1.00 41.31 O HETATM 2301 O HOH 227 15.503 31.372 -5.543 1.00 23.07 O HETATM 2302 O HOH 228 12.529 3.986 3.058 1.00 33.38 O HETATM 2303 O HOH 229 17.275 30.679 -3.609 1.00 36.63 O HETATM 2304 O HOH 230 26.426 34.631 3.291 1.00 35.59 O HETATM 2305 O HOH 231 24.371 31.724 -1.140 1.00 40.29 O HETATM 2306 N HSM A 232 18.175 22.985 7.587 1.00 0.22 N HETATM 2307 CA HSM A 232 17.361 23.139 8.789 1.00 -0.02 C HETATM 2308 CB HSM A 232 16.283 24.187 8.548 1.00 0.04 C HETATM 2309 CG HSM A 232 15.502 24.482 9.812 1.00 0.06 C HETATM 2310 ND1 HSM A 232 16.004 24.986 10.967 1.00 -0.26 N HETATM 2311 CE1 HSM A 232 14.990 25.106 11.847 1.00 0.09 C HETATM 2312 NE2 HSM A 232 13.851 24.683 11.256 1.00 -0.34 N HETATM 2313 CD2 HSM A 232 14.143 24.290 9.997 1.00 -0.03 C HETATM 2314 H9 HSM A 232 13.441 23.896 9.264 1.00 0.03 H HETATM 2315 H10 HSM A 232 15.075 25.482 12.866 1.00 0.11 H HETATM 2316 H8 HSM A 232 16.988 25.234 11.141 1.00 0.24 H HETATM 2317 H6 HSM A 232 15.590 23.816 7.778 1.00 0.05 H HETATM 2318 H7 HSM A 232 16.759 25.115 8.197 1.00 0.05 H HETATM 2319 H4 HSM A 232 18.000 23.458 9.625 1.00 0.08 H HETATM 2320 H5 HSM A 232 16.887 22.177 9.036 1.00 0.08 H HETATM 2321 H1 HSM A 232 18.887 22.291 7.750 1.00 0.20 H HETATM 2322 H2 HSM A 232 18.610 23.866 7.361 1.00 0.20 H HETATM 2323 H3 HSM A 232 17.590 22.692 6.820 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 6 5 1646 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 440 439 1991 CONECT 1249 1248 1656 CONECT 1646 6 1645 CONECT 1656 1249 1655 CONECT 1991 440 1990 CONECT 2306 2307 2321 2322 2323 CONECT 2307 2306 2308 2319 2320 CONECT 2308 2307 2309 2317 2318 CONECT 2309 2308 2310 2313 CONECT 2310 2309 2311 2316 CONECT 2311 2310 2312 2315 CONECT 2312 2311 2313 CONECT 2313 2309 2312 2314 CONECT 2314 2313 CONECT 2315 2311 CONECT 2316 2310 CONECT 2317 2308 CONECT 2318 2308 CONECT 2319 2307 CONECT 2320 2307 CONECT 2321 2306 CONECT 2322 2306 CONECT 2323 2306 MASTER 0 0 0 0 0 0 0 0 2322 1 28 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3bu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avn
RCSB PDB
PDBbind
HSM
1qft
RCSB PDB
PDBbind
HSM
3rxh
RCSB PDB
PDBbind
HSM
6fu4
RCSB PDB
PDBbind
HSM
6dyn
RCSB PDB
PDBbind
HSM
Entry Information
PDB ID
3bu1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
AM-10, monomine
Ligand Name
HSM
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=7.1nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 18721-18733
Ligand Properties
Formula
C
5
H
1
0
N
3
Molecular Weight
112.153
Exact Mass
112.087
No. of atoms
18
No. of bonds
18
Polar Surface Area
56.32
LOGP Value
-0.58 (
Computed with XLOGP3
)
-0.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
C(c1cnc[nH]1)C[NH3+]
InChI String
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1
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):
Q09JX9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓