Browse entries in the PDBbind-CN Database
HEADER 2W0Z_COMPLEX COMPND 2W0Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 GLY PRO THR TYR VAL GLN ALA LEU PHE ASP PHE ASP PRO SEQRES 2 A 58 GLN GLU ASP GLY GLU LEU GLY PHE ARG ARG GLY ASP PHE SEQRES 3 A 58 ILE HIS VAL MET ASP ASN SER ASP PRO ASN TRP TRP LYS SEQRES 4 A 58 GLY ALA CYS HIS GLY GLN THR GLY MET PHE PRO ARG ASN SEQRES 5 A 58 TYR VAL THR ALA VAL ASN HET ALA A 111 143 ATOM 1 N GLY A -1 0.751 -3.334 1.656 1.00 18.26 N ATOM 2 CA GLY A -1 2.229 -3.425 1.502 1.00 16.11 C ATOM 3 C GLY A -1 2.876 -2.450 2.455 1.00 15.64 C ATOM 4 O GLY A -1 2.233 -1.501 2.927 1.00 15.58 O ATOM 5 HA3 GLY A -1 2.507 -3.177 0.478 1.00 0.00 H ATOM 6 HA2 GLY A -1 2.560 -4.438 1.732 1.00 0.00 H ATOM 7 HN3 GLY A -1 0.440 -2.366 1.437 1.00 0.00 H ATOM 8 HN2 GLY A -1 0.490 -3.570 2.635 1.00 0.00 H ATOM 9 HN1 GLY A -1 0.294 -4.002 1.003 1.00 0.00 H ATOM 10 N PRO A 0 4.147 -2.660 2.747 1.00 15.10 N ATOM 11 CA PRO A 0 4.814 -1.794 3.713 1.00 14.06 C ATOM 12 C PRO A 0 5.019 -0.396 3.141 1.00 13.03 C ATOM 13 O PRO A 0 5.180 -0.249 1.924 1.00 12.06 O ATOM 14 CB PRO A 0 6.169 -2.490 3.918 1.00 15.32 C ATOM 15 CG PRO A 0 6.343 -3.376 2.723 1.00 15.79 C ATOM 16 CD PRO A 0 4.974 -3.827 2.385 1.00 16.06 C ATOM 17 HA PRO A 0 4.245 -1.662 4.633 1.00 0.00 H ATOM 18 HD3 PRO A 0 4.887 -4.056 1.323 1.00 0.00 H ATOM 19 HD2 PRO A 0 4.694 -4.704 2.969 1.00 0.00 H ATOM 20 HG3 PRO A 0 6.979 -4.227 2.965 1.00 0.00 H ATOM 21 HG2 PRO A 0 6.781 -2.821 1.893 1.00 0.00 H ATOM 22 HB2 PRO A 0 6.972 -1.755 3.969 1.00 0.00 H ATOM 23 HB3 PRO A 0 6.160 -3.081 4.834 1.00 0.00 H ATOM 24 N THR A 1 5.009 0.602 4.034 1.00 12.35 N ATOM 25 CA THR A 1 5.272 1.986 3.667 1.00 11.86 C ATOM 26 C THR A 1 6.750 2.238 3.859 1.00 11.06 C ATOM 27 O THR A 1 7.321 1.852 4.888 1.00 11.05 O ATOM 28 CB THR A 1 4.453 2.927 4.565 1.00 13.20 C ATOM 29 OG1 THR A 1 3.058 2.646 4.363 1.00 15.02 O ATOM 30 CG2 THR A 1 4.710 4.374 4.210 1.00 13.63 C ATOM 31 HA THR A 1 4.988 2.171 2.631 1.00 0.00 H ATOM 32 HB THR A 1 4.743 2.765 5.603 1.00 0.00 H ATOM 33 HG1 THR A 1 2.826 2.797 3.412 1.00 0.00 H ATOM 34 HG23 THR A 1 5.766 4.601 4.359 1.00 0.00 H ATOM 35 HG21 THR A 1 4.444 4.544 3.167 1.00 0.00 H ATOM 36 HG22 THR A 1 4.105 5.017 4.850 1.00 0.00 H ATOM 37 H THR A 1 4.805 0.379 5.029 1.00 0.00 H ATOM 38 N TYR A 2 7.358 2.864 2.855 1.00 9.94 N ATOM 39 CA TYR A 2 8.763 3.245 2.892 1.00 10.00 C ATOM 40 C TYR A 2 8.924 4.753 2.745 1.00 9.48 C ATOM 41 O TYR A 2 8.160 5.418 2.031 1.00 9.78 O ATOM 42 CB TYR A 2 9.564 2.533 1.803 1.00 10.37 C ATOM 43 CG TYR A 2 10.013 1.155 2.231 1.00 11.68 C ATOM 44 CD1 TYR A 2 11.331 0.931 2.676 1.00 15.13 C ATOM 45 CD2 TYR A 2 9.113 0.090 2.210 1.00 15.63 C ATOM 46 CE1 TYR A 2 11.741 -0.326 3.089 1.00 19.55 C ATOM 47 CE2 TYR A 2 9.515 -1.190 2.616 1.00 18.02 C ATOM 48 CZ TYR A 2 10.828 -1.380 3.056 1.00 20.08 C ATOM 49 OH TYR A 2 11.231 -2.644 3.461 1.00 22.77 O ATOM 50 HA TYR A 2 9.153 2.940 3.863 1.00 0.00 H ATOM 51 HB3 TYR A 2 10.444 3.131 1.567 1.00 0.00 H ATOM 52 HB2 TYR A 2 8.941 2.439 0.914 1.00 0.00 H ATOM 53 HD2 TYR A 2 8.089 0.254 1.875 1.00 0.00 H ATOM 54 HE2 TYR A 2 8.814 -2.025 2.589 1.00 0.00 H ATOM 55 HE1 TYR A 2 12.762 -0.489 3.435 1.00 0.00 H ATOM 56 HD1 TYR A 2 12.039 1.760 2.696 1.00 0.00 H ATOM 57 HH TYR A 2 10.671 -2.940 4.222 1.00 0.00 H ATOM 58 H TYR A 2 6.804 3.092 2.005 1.00 0.00 H ATOM 59 N VAL A 3 9.915 5.278 3.464 1.00 9.78 N ATOM 60 CA VAL A 3 10.351 6.677 3.289 1.00 9.27 C ATOM 61 C VAL A 3 11.838 6.683 2.938 1.00 10.00 C ATOM 62 O VAL A 3 12.520 5.668 3.108 1.00 9.48 O ATOM 63 CB VAL A 3 10.114 7.527 4.573 1.00 8.97 C ATOM 64 CG1 VAL A 3 8.614 7.685 4.842 1.00 9.11 C ATOM 65 CG2 VAL A 3 10.815 6.906 5.782 1.00 9.41 C ATOM 66 HA VAL A 3 9.761 7.124 2.489 1.00 0.00 H ATOM 67 HB VAL A 3 10.543 8.515 4.408 1.00 0.00 H ATOM 68 HG11 VAL A 3 8.145 8.184 3.994 1.00 0.00 H ATOM 69 HG12 VAL A 3 8.165 6.701 4.980 1.00 0.00 H ATOM 70 HG13 VAL A 3 8.469 8.281 5.743 1.00 0.00 H ATOM 71 HG21 VAL A 3 10.425 5.902 5.951 1.00 0.00 H ATOM 72 HG22 VAL A 3 11.887 6.853 5.591 1.00 0.00 H ATOM 73 HG23 VAL A 3 10.631 7.521 6.663 1.00 0.00 H ATOM 74 H VAL A 3 10.396 4.684 4.170 1.00 0.00 H ATOM 75 N GLN A 4 12.338 7.827 2.449 1.00 10.43 N ATOM 76 CA GLN A 4 13.746 7.939 2.074 1.00 10.22 C ATOM 77 C GLN A 4 14.339 9.093 2.856 1.00 9.85 C ATOM 78 O GLN A 4 13.692 10.120 3.005 1.00 9.24 O ATOM 79 CB GLN A 4 13.896 8.178 0.562 1.00 10.62 C ATOM 80 CG GLN A 4 15.353 8.192 0.120 1.00 13.96 C ATOM 81 CD GLN A 4 15.475 8.075 -1.369 1.00 16.84 C ATOM 82 OE1 GLN A 4 14.590 8.545 -2.102 1.00 20.11 O ATOM 83 NE2 GLN A 4 16.556 7.463 -1.840 1.00 14.29 N ATOM 84 HA GLN A 4 14.270 7.012 2.306 1.00 0.00 H ATOM 85 HB2 GLN A 4 13.375 7.383 0.028 1.00 0.00 H ATOM 86 HB3 GLN A 4 13.445 9.138 0.312 1.00 0.00 H ATOM 87 HG2 GLN A 4 15.812 9.127 0.441 1.00 0.00 H ATOM 88 HG3 GLN A 4 15.873 7.355 0.585 1.00 0.00 H ATOM 89 HE22 GLN A 4 17.268 7.087 -1.182 1.00 0.00 H ATOM 90 HE21 GLN A 4 16.690 7.360 -2.866 1.00 0.00 H ATOM 91 H GLN A 4 11.712 8.650 2.334 1.00 0.00 H ATOM 92 N ALA A 5 15.555 8.909 3.367 1.00 8.57 N ATOM 93 CA ALA A 5 16.226 9.953 4.153 1.00 8.04 C ATOM 94 C ALA A 5 16.639 11.152 3.287 1.00 7.79 C ATOM 95 O ALA A 5 17.255 10.985 2.251 1.00 8.26 O ATOM 96 CB ALA A 5 17.442 9.370 4.815 1.00 7.76 C ATOM 97 HA ALA A 5 15.520 10.314 4.901 1.00 0.00 H ATOM 98 HB1 ALA A 5 17.140 8.554 5.472 1.00 0.00 H ATOM 99 HB2 ALA A 5 18.123 8.991 4.053 1.00 0.00 H ATOM 100 HB3 ALA A 5 17.942 10.143 5.399 1.00 0.00 H ATOM 101 H ALA A 5 16.041 8.004 3.206 1.00 0.00 H ATOM 102 N LEU A 6 16.312 12.353 3.763 1.00 8.31 N ATOM 103 CA LEU A 6 16.733 13.612 3.153 1.00 7.52 C ATOM 104 C LEU A 6 18.033 14.147 3.788 1.00 7.92 C ATOM 105 O LEU A 6 18.777 14.897 3.149 1.00 8.02 O ATOM 106 CB LEU A 6 15.639 14.648 3.422 1.00 9.32 C ATOM 107 CG LEU A 6 14.232 14.516 2.863 1.00 11.15 C ATOM 108 CD1 LEU A 6 13.329 15.503 3.573 1.00 12.97 C ATOM 109 CD2 LEU A 6 14.307 14.826 1.395 1.00 13.65 C ATOM 110 HA LEU A 6 16.902 13.441 2.090 1.00 0.00 H ATOM 111 HB2 LEU A 6 15.531 14.699 4.505 1.00 0.00 H ATOM 112 HB3 LEU A 6 16.024 15.598 3.051 1.00 0.00 H ATOM 113 HG LEU A 6 13.830 13.514 3.012 1.00 0.00 H ATOM 114 HD21 LEU A 6 14.681 15.840 1.258 1.00 0.00 H ATOM 115 HD22 LEU A 6 14.981 14.120 0.910 1.00 0.00 H ATOM 116 HD23 LEU A 6 13.313 14.742 0.956 1.00 0.00 H ATOM 117 HD11 LEU A 6 13.324 15.286 4.641 1.00 0.00 H ATOM 118 HD12 LEU A 6 13.699 16.515 3.408 1.00 0.00 H ATOM 119 HD13 LEU A 6 12.317 15.416 3.179 1.00 0.00 H ATOM 120 H LEU A 6 15.723 12.397 4.619 1.00 0.00 H ATOM 121 N PHE A 7 18.273 13.774 5.055 1.00 7.95 N ATOM 122 CA PHE A 7 19.431 14.214 5.850 1.00 7.23 C ATOM 123 C PHE A 7 20.022 13.033 6.590 1.00 7.42 C ATOM 124 O PHE A 7 19.305 12.070 6.929 1.00 7.16 O ATOM 125 CB PHE A 7 19.027 15.287 6.900 1.00 7.50 C ATOM 126 CG PHE A 7 18.474 16.543 6.288 1.00 10.06 C ATOM 127 CD1 PHE A 7 17.101 16.718 6.145 1.00 13.16 C ATOM 128 CD2 PHE A 7 19.345 17.570 5.880 1.00 11.02 C ATOM 129 CE1 PHE A 7 16.593 17.911 5.576 1.00 14.96 C ATOM 130 CE2 PHE A 7 18.838 18.735 5.298 1.00 12.26 C ATOM 131 CZ PHE A 7 17.460 18.912 5.175 1.00 12.98 C ATOM 132 HA PHE A 7 20.157 14.644 5.160 1.00 0.00 H ATOM 133 HB2 PHE A 7 18.269 14.860 7.557 1.00 0.00 H ATOM 134 HB3 PHE A 7 19.909 15.547 7.486 1.00 0.00 H ATOM 135 HD2 PHE A 7 20.420 17.456 6.019 1.00 0.00 H ATOM 136 HE2 PHE A 7 19.520 19.506 4.940 1.00 0.00 H ATOM 137 HZ PHE A 7 17.065 19.840 4.762 1.00 0.00 H ATOM 138 HE1 PHE A 7 15.518 18.041 5.454 1.00 0.00 H ATOM 139 HD1 PHE A 7 16.416 15.936 6.471 1.00 0.00 H ATOM 140 H PHE A 7 17.593 13.129 5.506 1.00 0.00 H ATOM 141 N ASP A 8 21.328 13.104 6.854 1.00 7.93 N ATOM 142 CA ASP A 8 21.982 12.135 7.732 1.00 7.41 C ATOM 143 C ASP A 8 21.509 12.350 9.169 1.00 8.72 C ATOM 144 O ASP A 8 21.437 13.517 9.648 1.00 8.95 O ATOM 145 CB ASP A 8 23.484 12.368 7.680 1.00 8.62 C ATOM 146 CG ASP A 8 24.036 12.259 6.273 1.00 8.09 C ATOM 147 OD1 ASP A 8 23.755 11.248 5.620 1.00 7.35 O ATOM 148 OD2 ASP A 8 24.746 13.208 5.845 1.00 9.11 O ATOM 149 HA ASP A 8 21.738 11.123 7.409 1.00 0.00 H ATOM 150 HB2 ASP A 8 23.698 13.366 8.064 1.00 0.00 H ATOM 151 HB3 ASP A 8 23.976 11.625 8.308 1.00 0.00 H ATOM 152 H ASP A 8 21.893 13.865 6.426 1.00 0.00 H ATOM 153 N PHE A 9 21.272 11.240 9.879 1.00 8.77 N ATOM 154 CA PHE A 9 20.777 11.275 11.259 1.00 9.60 C ATOM 155 C PHE A 9 21.641 10.376 12.138 1.00 11.00 C ATOM 156 O PHE A 9 21.715 9.160 11.914 1.00 10.65 O ATOM 157 CB PHE A 9 19.286 10.840 11.309 1.00 10.18 C ATOM 158 CG PHE A 9 18.733 10.765 12.714 1.00 12.20 C ATOM 159 CD1 PHE A 9 18.431 9.526 13.291 1.00 11.43 C ATOM 160 CD2 PHE A 9 18.519 11.931 13.469 1.00 12.59 C ATOM 161 CE1 PHE A 9 17.924 9.436 14.603 1.00 12.65 C ATOM 162 CE2 PHE A 9 18.035 11.844 14.807 1.00 11.74 C ATOM 163 CZ PHE A 9 17.745 10.603 15.362 1.00 11.57 C ATOM 164 HA PHE A 9 20.840 12.295 11.639 1.00 0.00 H ATOM 165 HB2 PHE A 9 18.696 11.560 10.742 1.00 0.00 H ATOM 166 HB3 PHE A 9 19.196 9.856 10.848 1.00 0.00 H ATOM 167 HD2 PHE A 9 18.724 12.907 13.029 1.00 0.00 H ATOM 168 HE2 PHE A 9 17.892 12.751 15.395 1.00 0.00 H ATOM 169 HZ PHE A 9 17.379 10.536 16.386 1.00 0.00 H ATOM 170 HE1 PHE A 9 17.672 8.464 15.027 1.00 0.00 H ATOM 171 HD1 PHE A 9 18.591 8.614 12.715 1.00 0.00 H ATOM 172 H PHE A 9 21.446 10.316 9.434 1.00 0.00 H ATOM 173 N ASP A 10 22.288 10.991 13.129 1.00 10.82 N ATOM 174 CA ASP A 10 23.154 10.294 14.076 1.00 12.41 C ATOM 175 C ASP A 10 22.380 10.108 15.370 1.00 13.17 C ATOM 176 O ASP A 10 22.025 11.097 15.992 1.00 13.56 O ATOM 177 CB ASP A 10 24.403 11.162 14.346 1.00 12.56 C ATOM 178 CG ASP A 10 25.453 10.441 15.160 1.00 12.98 C ATOM 179 OD1 ASP A 10 25.461 9.188 15.160 1.00 15.65 O ATOM 180 OD2 ASP A 10 26.300 11.107 15.780 1.00 14.06 O ATOM 181 HA ASP A 10 23.464 9.328 13.678 1.00 0.00 H ATOM 182 HB2 ASP A 10 24.840 11.450 13.390 1.00 0.00 H ATOM 183 HB3 ASP A 10 24.095 12.056 14.888 1.00 0.00 H ATOM 184 H ASP A 10 22.170 12.019 13.233 1.00 0.00 H ATOM 185 N PRO A 11 22.121 8.846 15.787 1.00 14.85 N ATOM 186 CA PRO A 11 21.398 8.577 17.046 1.00 15.82 C ATOM 187 C PRO A 11 22.092 9.218 18.233 1.00 17.79 C ATOM 188 O PRO A 11 23.325 9.173 18.332 1.00 18.60 O ATOM 189 CB PRO A 11 21.495 7.066 17.201 1.00 16.08 C ATOM 190 CG PRO A 11 21.642 6.555 15.880 1.00 15.82 C ATOM 191 CD PRO A 11 22.462 7.596 15.094 1.00 14.54 C ATOM 192 HA PRO A 11 20.381 8.967 17.014 1.00 0.00 H ATOM 193 HD3 PRO A 11 23.530 7.388 15.157 1.00 0.00 H ATOM 194 HD2 PRO A 11 22.160 7.629 14.047 1.00 0.00 H ATOM 195 HG3 PRO A 11 20.664 6.419 15.418 1.00 0.00 H ATOM 196 HG2 PRO A 11 22.168 5.600 15.902 1.00 0.00 H ATOM 197 HB2 PRO A 11 22.359 6.800 17.811 1.00 0.00 H ATOM 198 HB3 PRO A 11 20.590 6.672 17.664 1.00 0.00 H ATOM 199 N GLN A 12 21.289 9.801 19.114 1.00 19.16 N ATOM 200 CA GLN A 12 21.766 10.440 20.342 1.00 22.01 C ATOM 201 C GLN A 12 21.242 9.734 21.579 1.00 23.40 C ATOM 202 O GLN A 12 21.779 9.914 22.676 1.00 23.92 O ATOM 203 CB GLN A 12 21.324 11.894 20.388 1.00 21.04 C ATOM 204 CG GLN A 12 21.883 12.741 19.280 1.00 24.20 C ATOM 205 CD GLN A 12 21.765 14.223 19.572 1.00 26.50 C ATOM 206 OE1 GLN A 12 21.631 14.624 20.730 1.00 30.97 O ATOM 207 NE2 GLN A 12 21.815 15.044 18.532 1.00 22.88 N ATOM 208 HA GLN A 12 22.854 10.378 20.334 1.00 0.00 H ATOM 209 HB2 GLN A 12 20.236 11.923 20.326 1.00 0.00 H ATOM 210 HB3 GLN A 12 21.644 12.319 21.339 1.00 0.00 H ATOM 211 HG2 GLN A 12 22.936 12.493 19.146 1.00 0.00 H ATOM 212 HG3 GLN A 12 21.339 12.520 18.361 1.00 0.00 H ATOM 213 HE22 GLN A 12 21.929 14.661 17.572 1.00 0.00 H ATOM 214 HE21 GLN A 12 21.740 16.071 18.676 1.00 0.00 H ATOM 215 H GLN A 12 20.267 9.804 18.922 1.00 0.00 H ATOM 216 N GLU A 13 20.176 8.954 21.420 1.00 24.83 N ATOM 217 CA GLU A 13 19.622 8.214 22.550 1.00 26.25 C ATOM 218 C GLU A 13 19.468 6.753 22.198 1.00 25.71 C ATOM 219 O GLU A 13 19.492 6.373 21.015 1.00 25.54 O ATOM 220 CB GLU A 13 18.278 8.785 23.000 1.00 27.18 C ATOM 221 CG GLU A 13 18.233 10.292 23.234 1.00 31.84 C ATOM 222 CD GLU A 13 19.198 10.784 24.319 1.00 38.13 C ATOM 223 OE1 GLU A 13 19.579 11.985 24.254 1.00 40.68 O ATOM 224 OE2 GLU A 13 19.576 9.983 25.227 1.00 39.90 O ATOM 225 HA GLU A 13 20.322 8.315 23.379 1.00 0.00 H ATOM 226 HB2 GLU A 13 17.541 8.545 22.234 1.00 0.00 H ATOM 227 HB3 GLU A 13 18.003 8.294 23.934 1.00 0.00 H ATOM 228 HG2 GLU A 13 18.485 10.792 22.299 1.00 0.00 H ATOM 229 HG3 GLU A 13 17.219 10.563 23.528 1.00 0.00 H ATOM 230 H GLU A 13 19.733 8.871 20.483 1.00 0.00 H ATOM 231 N ASP A 14 19.339 5.933 23.241 1.00 25.25 N ATOM 232 CA ASP A 14 19.020 4.528 23.103 1.00 24.86 C ATOM 233 C ASP A 14 17.747 4.429 22.284 1.00 22.76 C ATOM 234 O ASP A 14 16.852 5.267 22.427 1.00 23.10 O ATOM 235 CB ASP A 14 18.753 3.901 24.486 1.00 25.28 C ATOM 236 CG ASP A 14 20.008 3.698 25.309 1.00 29.24 C ATOM 237 OD1 ASP A 14 19.845 3.399 26.528 1.00 33.57 O ATOM 238 OD2 ASP A 14 21.145 3.816 24.770 1.00 32.78 O ATOM 239 HA ASP A 14 19.850 4.005 22.629 1.00 0.00 H ATOM 240 HB2 ASP A 14 18.080 4.557 25.038 1.00 0.00 H ATOM 241 HB3 ASP A 14 18.275 2.932 24.340 1.00 0.00 H ATOM 242 H ASP A 14 19.474 6.320 24.197 1.00 0.00 H ATOM 243 N GLY A 15 17.706 3.430 21.405 1.00 20.86 N ATOM 244 CA GLY A 15 16.504 3.106 20.652 1.00 18.37 C ATOM 245 C GLY A 15 16.228 3.979 19.429 1.00 16.92 C ATOM 246 O GLY A 15 15.188 3.810 18.793 1.00 16.59 O ATOM 247 HA3 GLY A 15 15.652 3.196 21.326 1.00 0.00 H ATOM 248 HA2 GLY A 15 16.590 2.073 20.313 1.00 0.00 H ATOM 249 H GLY A 15 18.563 2.861 21.251 1.00 0.00 H ATOM 250 N GLU A 16 17.112 4.936 19.137 1.00 15.36 N ATOM 251 CA GLU A 16 16.992 5.740 17.905 1.00 14.06 C ATOM 252 C GLU A 16 17.690 5.019 16.775 1.00 14.12 C ATOM 253 O GLU A 16 18.721 4.353 16.991 1.00 15.19 O ATOM 254 CB GLU A 16 17.586 7.141 18.064 1.00 14.43 C ATOM 255 CG GLU A 16 16.833 7.997 19.061 1.00 13.38 C ATOM 256 CD GLU A 16 17.428 9.350 19.319 1.00 15.80 C ATOM 257 OE1 GLU A 16 18.498 9.698 18.769 1.00 14.37 O ATOM 258 OE2 GLU A 16 16.788 10.100 20.093 1.00 16.14 O ATOM 259 HA GLU A 16 15.931 5.861 17.688 1.00 0.00 H ATOM 260 HB2 GLU A 16 18.618 7.044 18.400 1.00 0.00 H ATOM 261 HB3 GLU A 16 17.566 7.639 17.094 1.00 0.00 H ATOM 262 HG2 GLU A 16 15.820 8.140 18.686 1.00 0.00 H ATOM 263 HG3 GLU A 16 16.796 7.459 20.008 1.00 0.00 H ATOM 264 H GLU A 16 17.900 5.118 19.790 1.00 0.00 H ATOM 265 N LEU A 17 17.120 5.149 15.576 1.00 13.02 N ATOM 266 CA LEU A 17 17.626 4.518 14.360 1.00 12.59 C ATOM 267 C LEU A 17 18.479 5.505 13.555 1.00 12.26 C ATOM 268 O LEU A 17 17.961 6.519 13.103 1.00 12.44 O ATOM 269 CB LEU A 17 16.445 4.112 13.484 1.00 12.43 C ATOM 270 CG LEU A 17 16.768 3.518 12.104 1.00 13.93 C ATOM 271 CD1 LEU A 17 17.385 2.124 12.250 1.00 16.39 C ATOM 272 CD2 LEU A 17 15.486 3.492 11.293 1.00 15.73 C ATOM 273 HA LEU A 17 18.228 3.655 14.644 1.00 0.00 H ATOM 274 HB2 LEU A 17 15.868 3.369 14.034 1.00 0.00 H ATOM 275 HB3 LEU A 17 15.834 5.000 13.324 1.00 0.00 H ATOM 276 HG LEU A 17 17.506 4.130 11.585 1.00 0.00 H ATOM 277 HD21 LEU A 17 14.746 2.876 11.805 1.00 0.00 H ATOM 278 HD22 LEU A 17 15.104 4.507 11.186 1.00 0.00 H ATOM 279 HD23 LEU A 17 15.690 3.074 10.307 1.00 0.00 H ATOM 280 HD11 LEU A 17 18.305 2.194 12.830 1.00 0.00 H ATOM 281 HD12 LEU A 17 16.681 1.468 12.762 1.00 0.00 H ATOM 282 HD13 LEU A 17 17.606 1.721 11.262 1.00 0.00 H ATOM 283 H LEU A 17 16.264 5.735 15.503 1.00 0.00 H ATOM 284 N GLY A 18 19.749 5.178 13.330 1.00 12.18 N ATOM 285 CA GLY A 18 20.602 6.057 12.503 1.00 10.91 C ATOM 286 C GLY A 18 20.456 5.736 11.029 1.00 10.89 C ATOM 287 O GLY A 18 20.136 4.604 10.639 1.00 10.98 O ATOM 288 HA3 GLY A 18 21.643 5.920 12.795 1.00 0.00 H ATOM 289 HA2 GLY A 18 20.312 7.094 12.671 1.00 0.00 H ATOM 290 H GLY A 18 20.141 4.304 13.736 1.00 0.00 H ATOM 291 N PHE A 19 20.702 6.731 10.185 1.00 9.77 N ATOM 292 CA PHE A 19 20.673 6.503 8.753 1.00 9.29 C ATOM 293 C PHE A 19 21.376 7.637 8.037 1.00 9.32 C ATOM 294 O PHE A 19 21.679 8.678 8.641 1.00 9.40 O ATOM 295 CB PHE A 19 19.243 6.357 8.220 1.00 10.18 C ATOM 296 CG PHE A 19 18.281 7.444 8.663 1.00 10.87 C ATOM 297 CD1 PHE A 19 17.328 7.178 9.649 1.00 13.96 C ATOM 298 CD2 PHE A 19 18.306 8.726 8.084 1.00 9.21 C ATOM 299 CE1 PHE A 19 16.406 8.166 10.053 1.00 15.49 C ATOM 300 CE2 PHE A 19 17.395 9.711 8.478 1.00 12.01 C ATOM 301 CZ PHE A 19 16.440 9.433 9.461 1.00 14.28 C ATOM 302 HA PHE A 19 21.192 5.564 8.560 1.00 0.00 H ATOM 303 HB2 PHE A 19 19.285 6.365 7.131 1.00 0.00 H ATOM 304 HB3 PHE A 19 18.851 5.398 8.560 1.00 0.00 H ATOM 305 HD2 PHE A 19 19.046 8.955 7.317 1.00 0.00 H ATOM 306 HE2 PHE A 19 17.429 10.698 8.018 1.00 0.00 H ATOM 307 HZ PHE A 19 15.726 10.199 9.764 1.00 0.00 H ATOM 308 HE1 PHE A 19 15.669 7.943 10.824 1.00 0.00 H ATOM 309 HD1 PHE A 19 17.296 6.192 10.113 1.00 0.00 H ATOM 310 H PHE A 19 20.917 7.680 10.553 1.00 0.00 H ATOM 311 N ARG A 20 21.659 7.421 6.763 1.00 9.39 N ATOM 312 CA ARG A 20 22.292 8.454 5.957 1.00 9.96 C ATOM 313 C ARG A 20 21.366 8.824 4.814 1.00 9.00 C ATOM 314 O ARG A 20 20.438 8.064 4.499 1.00 9.02 O ATOM 315 CB ARG A 20 23.702 8.026 5.462 1.00 11.87 C ATOM 316 CG ARG A 20 23.720 6.800 4.633 1.00 15.35 C ATOM 317 CD ARG A 20 25.129 6.518 4.136 1.00 17.32 C ATOM 318 NE ARG A 20 26.088 6.428 5.226 1.00 20.38 N ATOM 319 CZ ARG A 20 27.405 6.310 5.070 1.00 20.31 C ATOM 320 NH1 ARG A 20 28.191 6.261 6.139 1.00 23.06 N ATOM 321 NH2 ARG A 20 27.932 6.260 3.851 1.00 20.18 N ATOM 322 HA ARG A 20 22.457 9.337 6.574 1.00 0.00 H ATOM 323 HB2 ARG A 20 24.117 8.842 4.871 1.00 0.00 H ATOM 324 HB3 ARG A 20 24.331 7.855 6.335 1.00 0.00 H ATOM 325 HG2 ARG A 20 23.374 5.957 5.231 1.00 0.00 H ATOM 326 HG3 ARG A 20 23.057 6.934 3.778 1.00 0.00 H ATOM 327 HD2 ARG A 20 25.433 7.322 3.466 1.00 0.00 H ATOM 328 HD3 ARG A 20 25.127 5.574 3.591 1.00 0.00 H ATOM 329 HE ARG A 20 25.718 6.458 6.198 1.00 0.00 H ATOM 330 HH12 ARG A 20 29.220 6.169 6.024 1.00 0.00 H ATOM 331 HH11 ARG A 20 27.777 6.315 7.092 1.00 0.00 H ATOM 332 HH22 ARG A 20 28.961 6.168 3.733 1.00 0.00 H ATOM 333 HH21 ARG A 20 27.315 6.313 3.015 1.00 0.00 H ATOM 334 H ARG A 20 21.427 6.503 6.333 1.00 0.00 H ATOM 335 N ARG A 21 21.619 9.977 4.186 1.00 8.35 N ATOM 336 CA ARG A 21 20.804 10.424 3.050 1.00 8.07 C ATOM 337 C ARG A 21 20.647 9.304 2.029 1.00 9.21 C ATOM 338 O ARG A 21 21.628 8.620 1.677 1.00 9.34 O ATOM 339 CB ARG A 21 21.478 11.610 2.343 1.00 7.86 C ATOM 340 CG ARG A 21 21.564 12.882 3.188 1.00 7.84 C ATOM 341 CD ARG A 21 21.878 14.047 2.251 1.00 8.18 C ATOM 342 NE ARG A 21 22.002 15.299 2.989 1.00 7.35 N ATOM 343 CZ ARG A 21 21.855 16.495 2.429 1.00 8.01 C ATOM 344 NH1 ARG A 21 21.942 17.577 3.194 1.00 8.46 N ATOM 345 NH2 ARG A 21 21.667 16.601 1.112 1.00 10.65 N ATOM 346 HA ARG A 21 19.829 10.717 3.440 1.00 0.00 H ATOM 347 HB2 ARG A 21 22.490 11.313 2.069 1.00 0.00 H ATOM 348 HB3 ARG A 21 20.910 11.837 1.441 1.00 0.00 H ATOM 349 HG2 ARG A 21 20.614 13.057 3.692 1.00 0.00 H ATOM 350 HG3 ARG A 21 22.355 12.781 3.931 1.00 0.00 H ATOM 351 HD2 ARG A 21 21.075 14.143 1.521 1.00 0.00 H ATOM 352 HD3 ARG A 21 22.816 13.845 1.733 1.00 0.00 H ATOM 353 HE ARG A 21 22.216 15.253 4.006 1.00 0.00 H ATOM 354 HH12 ARG A 21 21.830 18.522 2.774 1.00 0.00 H ATOM 355 HH11 ARG A 21 22.122 17.480 4.214 1.00 0.00 H ATOM 356 HH22 ARG A 21 21.552 17.539 0.677 1.00 0.00 H ATOM 357 HH21 ARG A 21 21.635 15.746 0.521 1.00 0.00 H ATOM 358 H ARG A 21 22.410 10.570 4.509 1.00 0.00 H ATOM 359 N GLY A 22 19.438 9.145 1.520 1.00 8.91 N ATOM 360 CA GLY A 22 19.200 8.128 0.467 1.00 9.77 C ATOM 361 C GLY A 22 18.733 6.795 1.029 1.00 9.56 C ATOM 362 O GLY A 22 18.170 5.972 0.286 1.00 11.41 O ATOM 363 HA3 GLY A 22 20.129 7.969 -0.080 1.00 0.00 H ATOM 364 HA2 GLY A 22 18.438 8.505 -0.215 1.00 0.00 H ATOM 365 H GLY A 22 18.651 9.735 1.859 1.00 0.00 H ATOM 366 N ASP A 23 18.966 6.542 2.318 1.00 9.18 N ATOM 367 CA ASP A 23 18.531 5.266 2.899 1.00 9.02 C ATOM 368 C ASP A 23 17.009 5.102 2.803 1.00 9.92 C ATOM 369 O ASP A 23 16.246 6.050 3.004 1.00 9.15 O ATOM 370 CB ASP A 23 18.968 5.106 4.369 1.00 9.00 C ATOM 371 CG ASP A 23 20.453 4.792 4.533 1.00 9.48 C ATOM 372 OD1 ASP A 23 21.120 4.389 3.554 1.00 13.16 O ATOM 373 OD2 ASP A 23 20.950 4.917 5.672 1.00 12.29 O ATOM 374 HA ASP A 23 19.019 4.487 2.313 1.00 0.00 H ATOM 375 HB2 ASP A 23 18.751 6.035 4.897 1.00 0.00 H ATOM 376 HB3 ASP A 23 18.392 4.294 4.814 1.00 0.00 H ATOM 377 H ASP A 23 19.454 7.246 2.909 1.00 0.00 H ATOM 378 N PHE A 24 16.578 3.877 2.491 1.00 10.32 N ATOM 379 CA PHE A 24 15.156 3.530 2.523 1.00 9.81 C ATOM 380 C PHE A 24 14.777 2.928 3.863 1.00 10.07 C ATOM 381 O PHE A 24 15.373 1.939 4.294 1.00 11.59 O ATOM 382 CB PHE A 24 14.873 2.535 1.398 1.00 10.39 C ATOM 383 CG PHE A 24 14.931 3.153 0.055 1.00 14.34 C ATOM 384 CD1 PHE A 24 13.799 3.696 -0.508 1.00 19.00 C ATOM 385 CD2 PHE A 24 16.132 3.195 -0.640 1.00 18.97 C ATOM 386 CE1 PHE A 24 13.841 4.295 -1.767 1.00 21.62 C ATOM 387 CE2 PHE A 24 16.197 3.774 -1.910 1.00 21.78 C ATOM 388 CZ PHE A 24 15.035 4.335 -2.460 1.00 22.19 C ATOM 389 HA PHE A 24 14.560 4.432 2.384 1.00 0.00 H ATOM 390 HB2 PHE A 24 15.613 1.736 1.446 1.00 0.00 H ATOM 391 HB3 PHE A 24 13.878 2.116 1.546 1.00 0.00 H ATOM 392 HD2 PHE A 24 17.031 2.773 -0.191 1.00 0.00 H ATOM 393 HE2 PHE A 24 17.135 3.789 -2.464 1.00 0.00 H ATOM 394 HZ PHE A 24 15.075 4.806 -3.442 1.00 0.00 H ATOM 395 HE1 PHE A 24 12.939 4.728 -2.200 1.00 0.00 H ATOM 396 HD1 PHE A 24 12.856 3.658 0.038 1.00 0.00 H ATOM 397 H PHE A 24 17.271 3.151 2.218 1.00 0.00 H ATOM 398 N ILE A 25 13.786 3.541 4.525 1.00 9.47 N ATOM 399 CA ILE A 25 13.323 3.136 5.855 1.00 9.50 C ATOM 400 C ILE A 25 11.901 2.634 5.780 1.00 9.66 C ATOM 401 O ILE A 25 11.022 3.307 5.235 1.00 9.62 O ATOM 402 CB ILE A 25 13.368 4.323 6.836 1.00 8.96 C ATOM 403 CG1 ILE A 25 14.805 4.860 6.894 1.00 12.45 C ATOM 404 CG2 ILE A 25 12.867 3.926 8.233 1.00 10.63 C ATOM 405 CD1 ILE A 25 14.872 6.330 7.181 1.00 15.44 C ATOM 406 HA ILE A 25 13.984 2.345 6.210 1.00 0.00 H ATOM 407 HB ILE A 25 12.699 5.106 6.478 1.00 0.00 H ATOM 408 HG12 ILE A 25 15.343 4.328 7.679 1.00 0.00 H ATOM 409 HG13 ILE A 25 15.285 4.671 5.934 1.00 0.00 H ATOM 410 HD11 ILE A 25 14.346 6.876 6.398 1.00 0.00 H ATOM 411 HD12 ILE A 25 14.404 6.533 8.144 1.00 0.00 H ATOM 412 HD13 ILE A 25 15.915 6.646 7.209 1.00 0.00 H ATOM 413 HG21 ILE A 25 11.837 3.578 8.163 1.00 0.00 H ATOM 414 HG22 ILE A 25 13.495 3.129 8.630 1.00 0.00 H ATOM 415 HG23 ILE A 25 12.915 4.791 8.894 1.00 0.00 H ATOM 416 H ILE A 25 13.319 4.350 4.069 1.00 0.00 H ATOM 417 N HIS A 26 11.694 1.438 6.319 1.00 9.64 N ATOM 418 CA HIS A 26 10.375 0.830 6.444 1.00 11.41 C ATOM 419 C HIS A 26 9.714 1.430 7.681 1.00 11.54 C ATOM 420 O HIS A 26 10.229 1.322 8.784 1.00 12.05 O ATOM 421 CB HIS A 26 10.530 -0.690 6.601 1.00 11.86 C ATOM 422 CG HIS A 26 9.265 -1.416 6.962 1.00 14.23 C ATOM 423 ND1 HIS A 26 8.007 -1.003 6.576 1.00 17.56 N ATOM 424 CD2 HIS A 26 9.078 -2.548 7.681 1.00 16.94 C ATOM 425 CE1 HIS A 26 7.101 -1.840 7.053 1.00 14.66 C ATOM 426 NE2 HIS A 26 7.726 -2.793 7.709 1.00 18.71 N ATOM 427 HA HIS A 26 9.764 1.021 5.562 1.00 0.00 H ATOM 428 HB2 HIS A 26 10.896 -1.094 5.657 1.00 0.00 H ATOM 429 HB3 HIS A 26 11.265 -0.878 7.384 1.00 0.00 H ATOM 430 HD2 HIS A 26 9.855 -3.152 8.150 1.00 0.00 H ATOM 431 HE1 HIS A 26 6.022 -1.755 6.925 1.00 0.00 H ATOM 432 H HIS A 26 12.516 0.907 6.670 1.00 0.00 H ATOM 433 N VAL A 27 8.583 2.094 7.469 1.00 12.35 N ATOM 434 CA VAL A 27 7.873 2.763 8.565 1.00 12.98 C ATOM 435 C VAL A 27 6.989 1.748 9.248 1.00 14.77 C ATOM 436 O VAL A 27 6.003 1.276 8.666 1.00 16.03 O ATOM 437 CB VAL A 27 7.006 3.939 8.054 1.00 13.00 C ATOM 438 CG1 VAL A 27 6.281 4.637 9.245 1.00 14.74 C ATOM 439 CG2 VAL A 27 7.847 4.949 7.240 1.00 12.56 C ATOM 440 HA VAL A 27 8.608 3.172 9.258 1.00 0.00 H ATOM 441 HB VAL A 27 6.249 3.535 7.382 1.00 0.00 H ATOM 442 HG11 VAL A 27 5.639 3.916 9.751 1.00 0.00 H ATOM 443 HG12 VAL A 27 7.023 5.020 9.946 1.00 0.00 H ATOM 444 HG13 VAL A 27 5.676 5.461 8.868 1.00 0.00 H ATOM 445 HG21 VAL A 27 8.639 5.352 7.871 1.00 0.00 H ATOM 446 HG22 VAL A 27 8.287 4.444 6.380 1.00 0.00 H ATOM 447 HG23 VAL A 27 7.206 5.761 6.897 1.00 0.00 H ATOM 448 H VAL A 27 8.193 2.141 6.506 1.00 0.00 H ATOM 449 N MET A 28 7.346 1.413 10.489 1.00 15.81 N ATOM 450 CA MET A 28 6.633 0.421 11.292 1.00 17.91 C ATOM 451 C MET A 28 5.557 1.049 12.181 1.00 18.87 C ATOM 452 O MET A 28 4.522 0.411 12.467 1.00 19.60 O ATOM 453 CB MET A 28 7.622 -0.358 12.149 1.00 17.70 C ATOM 454 CG MET A 28 8.607 -1.162 11.339 1.00 20.86 C ATOM 455 SD MET A 28 9.927 -1.807 12.369 1.00 25.81 S ATOM 456 CE MET A 28 9.082 -3.121 13.269 1.00 28.13 C ATOM 457 HA MET A 28 6.127 -0.252 10.599 1.00 0.00 H ATOM 458 HB2 MET A 28 8.176 0.348 12.767 1.00 0.00 H ATOM 459 HB3 MET A 28 7.063 -1.039 12.790 1.00 0.00 H ATOM 460 HG2 MET A 28 9.038 -0.523 10.568 1.00 0.00 H ATOM 461 HG3 MET A 28 8.084 -1.995 10.869 1.00 0.00 H ATOM 462 HE1 MET A 28 8.259 -2.695 13.843 1.00 0.00 H ATOM 463 HE2 MET A 28 8.693 -3.853 12.561 1.00 0.00 H ATOM 464 HE3 MET A 28 9.785 -3.606 13.946 1.00 0.00 H ATOM 465 H MET A 28 8.175 1.882 10.907 1.00 0.00 H ATOM 466 N ASP A 29 5.787 2.284 12.629 1.00 18.62 N ATOM 467 CA ASP A 29 4.806 2.956 13.464 1.00 19.84 C ATOM 468 C ASP A 29 4.870 4.460 13.228 1.00 19.86 C ATOM 469 O ASP A 29 5.897 5.094 13.469 1.00 20.57 O ATOM 470 CB ASP A 29 5.026 2.622 14.953 1.00 20.27 C ATOM 471 CG ASP A 29 3.889 3.122 15.847 1.00 23.07 C ATOM 472 OD1 ASP A 29 3.344 4.209 15.603 1.00 24.36 O ATOM 473 OD2 ASP A 29 3.549 2.415 16.822 1.00 28.36 O ATOM 474 HA ASP A 29 3.813 2.600 13.191 1.00 0.00 H ATOM 475 HB2 ASP A 29 5.103 1.540 15.060 1.00 0.00 H ATOM 476 HB3 ASP A 29 5.957 3.086 15.280 1.00 0.00 H ATOM 477 H ASP A 29 6.673 2.768 12.379 1.00 0.00 H ATOM 478 N ASN A 30 3.767 5.027 12.762 1.00 20.34 N ATOM 479 CA ASN A 30 3.699 6.464 12.549 1.00 20.06 C ATOM 480 C ASN A 30 2.590 7.091 13.366 1.00 20.18 C ATOM 481 O ASN A 30 2.004 8.091 12.944 1.00 19.13 O ATOM 482 CB ASN A 30 3.555 6.800 11.064 1.00 20.32 C ATOM 483 CG ASN A 30 2.240 6.343 10.484 1.00 22.92 C ATOM 484 OD1 ASN A 30 1.441 5.678 11.146 1.00 24.84 O ATOM 485 ND2 ASN A 30 2.016 6.681 9.230 1.00 27.38 N ATOM 486 HA ASN A 30 4.641 6.892 12.893 1.00 0.00 H ATOM 487 HB2 ASN A 30 3.632 7.880 10.942 1.00 0.00 H ATOM 488 HB3 ASN A 30 4.364 6.315 10.517 1.00 0.00 H ATOM 489 HD22 ASN A 30 2.719 7.244 8.710 1.00 0.00 H ATOM 490 HD21 ASN A 30 1.136 6.385 8.761 1.00 0.00 H ATOM 491 H ASN A 30 2.939 4.437 12.546 1.00 0.00 H ATOM 492 N SER A 31 2.316 6.509 14.536 1.00 21.06 N ATOM 493 CA SER A 31 1.225 7.026 15.379 1.00 22.62 C ATOM 494 C SER A 31 1.523 8.394 15.984 1.00 23.18 C ATOM 495 O SER A 31 0.593 9.181 16.227 1.00 24.20 O ATOM 496 CB SER A 31 0.803 6.053 16.462 1.00 22.43 C ATOM 497 OG SER A 31 1.884 5.662 17.283 1.00 26.04 O ATOM 498 HA SER A 31 0.387 7.148 14.693 1.00 0.00 H ATOM 499 HB2 SER A 31 0.381 5.165 15.991 1.00 0.00 H ATOM 500 HB3 SER A 31 0.044 6.528 17.084 1.00 0.00 H ATOM 501 HG SER A 31 2.576 5.222 16.728 1.00 0.00 H ATOM 502 H SER A 31 2.874 5.690 14.852 1.00 0.00 H ATOM 503 N ASP A 32 2.802 8.696 16.198 1.00 22.70 N ATOM 504 CA ASP A 32 3.206 10.032 16.626 1.00 22.17 C ATOM 505 C ASP A 32 3.523 10.911 15.423 1.00 22.15 C ATOM 506 O ASP A 32 4.164 10.437 14.481 1.00 21.41 O ATOM 507 CB ASP A 32 4.450 9.950 17.503 1.00 22.52 C ATOM 508 CG ASP A 32 4.777 11.272 18.151 1.00 24.14 C ATOM 509 OD1 ASP A 32 4.021 11.670 19.065 1.00 23.91 O ATOM 510 OD2 ASP A 32 5.774 11.924 17.743 1.00 22.55 O ATOM 511 HA ASP A 32 2.379 10.466 17.188 1.00 0.00 H ATOM 512 HB2 ASP A 32 4.282 9.208 18.284 1.00 0.00 H ATOM 513 HB3 ASP A 32 5.295 9.642 16.887 1.00 0.00 H ATOM 514 H ASP A 32 3.528 7.965 16.057 1.00 0.00 H ATOM 515 N PRO A 33 3.122 12.202 15.455 1.00 21.40 N ATOM 516 CA PRO A 33 3.408 13.099 14.324 1.00 21.34 C ATOM 517 C PRO A 33 4.883 13.522 14.145 1.00 21.07 C ATOM 518 O PRO A 33 5.217 14.145 13.125 1.00 21.30 O ATOM 519 CB PRO A 33 2.559 14.349 14.631 1.00 21.91 C ATOM 520 CG PRO A 33 2.348 14.302 16.102 1.00 22.17 C ATOM 521 CD PRO A 33 2.213 12.840 16.436 1.00 22.34 C ATOM 522 HA PRO A 33 3.179 12.580 13.393 1.00 0.00 H ATOM 523 HD3 PRO A 33 2.532 12.638 17.459 1.00 0.00 H ATOM 524 HD2 PRO A 33 1.187 12.498 16.303 1.00 0.00 H ATOM 525 HG3 PRO A 33 1.442 14.842 16.376 1.00 0.00 H ATOM 526 HG2 PRO A 33 3.200 14.737 16.625 1.00 0.00 H ATOM 527 HB2 PRO A 33 3.091 15.257 14.346 1.00 0.00 H ATOM 528 HB3 PRO A 33 1.606 14.308 14.103 1.00 0.00 H ATOM 529 N ASN A 34 5.742 13.209 15.104 1.00 19.90 N ATOM 530 CA ASN A 34 7.137 13.677 15.033 1.00 19.42 C ATOM 531 C ASN A 34 8.201 12.614 15.010 1.00 18.85 C ATOM 532 O ASN A 34 9.199 12.770 14.307 1.00 18.01 O ATOM 533 CB ASN A 34 7.462 14.613 16.186 1.00 20.76 C ATOM 534 CG ASN A 34 6.734 15.909 16.079 1.00 23.20 C ATOM 535 OD1 ASN A 34 6.120 16.353 17.048 1.00 29.66 O ATOM 536 ND2 ASN A 34 6.741 16.505 14.884 1.00 25.15 N ATOM 537 HA ASN A 34 7.169 14.177 14.065 1.00 0.00 H ATOM 538 HB2 ASN A 34 7.182 14.129 17.122 1.00 0.00 H ATOM 539 HB3 ASN A 34 8.534 14.811 16.187 1.00 0.00 H ATOM 540 HD22 ASN A 34 7.277 16.087 14.097 1.00 0.00 H ATOM 541 HD21 ASN A 34 6.210 17.388 14.740 1.00 0.00 H ATOM 542 H ASN A 34 5.430 12.631 15.910 1.00 0.00 H ATOM 543 N TRP A 35 8.029 11.591 15.838 1.00 18.07 N ATOM 544 CA TRP A 35 8.963 10.478 15.915 1.00 17.12 C ATOM 545 C TRP A 35 8.293 9.173 15.502 1.00 16.90 C ATOM 546 O TRP A 35 7.336 8.716 16.149 1.00 16.58 O ATOM 547 CB TRP A 35 9.525 10.346 17.327 1.00 17.83 C ATOM 548 CG TRP A 35 10.534 11.398 17.675 1.00 16.40 C ATOM 549 CD1 TRP A 35 10.278 12.643 18.193 1.00 18.37 C ATOM 550 CD2 TRP A 35 11.959 11.299 17.547 1.00 16.09 C ATOM 551 NE1 TRP A 35 11.463 13.324 18.393 1.00 17.24 N ATOM 552 CE2 TRP A 35 12.510 12.532 18.000 1.00 17.74 C ATOM 553 CE3 TRP A 35 12.825 10.296 17.087 1.00 16.53 C ATOM 554 CZ2 TRP A 35 13.911 12.783 18.014 1.00 15.68 C ATOM 555 CZ3 TRP A 35 14.212 10.536 17.101 1.00 15.39 C ATOM 556 CH2 TRP A 35 14.739 11.774 17.555 1.00 16.59 C ATOM 557 HA TRP A 35 9.781 10.682 15.225 1.00 0.00 H ATOM 558 HB2 TRP A 35 8.698 10.414 18.034 1.00 0.00 H ATOM 559 HB3 TRP A 35 10.000 9.369 17.419 1.00 0.00 H ATOM 560 HE1 TRP A 35 11.547 14.285 18.780 1.00 0.00 H ATOM 561 HD1 TRP A 35 9.286 13.036 18.414 1.00 0.00 H ATOM 562 HZ2 TRP A 35 14.315 13.730 18.371 1.00 0.00 H ATOM 563 HH2 TRP A 35 15.817 11.933 17.542 1.00 0.00 H ATOM 564 HZ3 TRP A 35 14.893 9.758 16.757 1.00 0.00 H ATOM 565 HE3 TRP A 35 12.431 9.347 16.725 1.00 0.00 H ATOM 566 H TRP A 35 7.193 11.585 16.457 1.00 0.00 H ATOM 567 N TRP A 36 8.821 8.555 14.447 1.00 15.89 N ATOM 568 CA TRP A 36 8.264 7.320 13.898 1.00 15.91 C ATOM 569 C TRP A 36 9.188 6.165 14.182 1.00 15.39 C ATOM 570 O TRP A 36 10.378 6.376 14.381 1.00 15.87 O ATOM 571 CB TRP A 36 8.083 7.446 12.378 1.00 15.45 C ATOM 572 CG TRP A 36 7.002 8.421 11.967 1.00 17.00 C ATOM 573 CD1 TRP A 36 6.134 9.088 12.788 1.00 17.69 C ATOM 574 CD2 TRP A 36 6.662 8.807 10.633 1.00 18.42 C ATOM 575 NE1 TRP A 36 5.286 9.878 12.051 1.00 18.12 N ATOM 576 CE2 TRP A 36 5.583 9.727 10.723 1.00 19.75 C ATOM 577 CE3 TRP A 36 7.159 8.468 9.363 1.00 20.30 C ATOM 578 CZ2 TRP A 36 4.995 10.317 9.589 1.00 20.28 C ATOM 579 CZ3 TRP A 36 6.584 9.060 8.235 1.00 21.97 C ATOM 580 CH2 TRP A 36 5.502 9.971 8.356 1.00 23.02 C ATOM 581 HA TRP A 36 7.296 7.143 14.368 1.00 0.00 H ATOM 582 HB2 TRP A 36 9.027 7.778 11.946 1.00 0.00 H ATOM 583 HB3 TRP A 36 7.829 6.464 11.980 1.00 0.00 H ATOM 584 HE1 TRP A 36 4.540 10.491 12.438 1.00 0.00 H ATOM 585 HD1 TRP A 36 6.118 9.004 13.875 1.00 0.00 H ATOM 586 HZ2 TRP A 36 4.169 11.022 9.683 1.00 0.00 H ATOM 587 HH2 TRP A 36 5.064 10.405 7.457 1.00 0.00 H ATOM 588 HZ3 TRP A 36 6.973 8.818 7.246 1.00 0.00 H ATOM 589 HE3 TRP A 36 7.978 7.756 9.260 1.00 0.00 H ATOM 590 H TRP A 36 9.663 8.967 13.996 1.00 0.00 H ATOM 591 N LYS A 37 8.647 4.955 14.211 1.00 15.30 N ATOM 592 CA LYS A 37 9.470 3.767 14.339 1.00 16.10 C ATOM 593 C LYS A 37 9.735 3.193 12.962 1.00 14.96 C ATOM 594 O LYS A 37 8.810 3.035 12.166 1.00 15.32 O ATOM 595 CB LYS A 37 8.818 2.694 15.235 1.00 16.27 C ATOM 596 CG LYS A 37 9.786 1.584 15.593 1.00 20.38 C ATOM 597 CD LYS A 37 9.203 0.598 16.592 1.00 26.85 C ATOM 598 CE LYS A 37 8.824 -0.690 15.909 1.00 31.09 C ATOM 599 NZ LYS A 37 8.895 -1.861 16.862 1.00 35.01 N ATOM 600 HA LYS A 37 10.405 4.060 14.816 1.00 0.00 H ATOM 601 HB2 LYS A 37 8.470 3.167 16.153 1.00 0.00 H ATOM 602 HB3 LYS A 37 7.969 2.263 14.706 1.00 0.00 H ATOM 603 HG2 LYS A 37 10.050 1.044 14.684 1.00 0.00 H ATOM 604 HG3 LYS A 37 10.683 2.029 16.024 1.00 0.00 H ATOM 605 HD2 LYS A 37 9.944 0.390 17.364 1.00 0.00 H ATOM 606 HD3 LYS A 37 8.316 1.035 17.050 1.00 0.00 H ATOM 607 HE2 LYS A 37 9.508 -0.866 15.079 1.00 0.00 H ATOM 608 HE3 LYS A 37 7.806 -0.604 15.528 1.00 0.00 H ATOM 609 HZ1 LYS A 37 9.865 -1.952 17.225 1.00 0.00 H ATOM 610 HZ2 LYS A 37 8.240 -1.702 17.654 1.00 0.00 H ATOM 611 HZ3 LYS A 37 8.628 -2.732 16.360 1.00 0.00 H ATOM 612 H LYS A 37 7.614 4.856 14.141 1.00 0.00 H ATOM 613 N GLY A 38 10.999 2.888 12.692 1.00 13.90 N ATOM 614 CA GLY A 38 11.353 2.332 11.408 1.00 13.97 C ATOM 615 C GLY A 38 12.421 1.268 11.439 1.00 13.98 C ATOM 616 O GLY A 38 13.055 1.036 12.465 1.00 14.21 O ATOM 617 HA3 GLY A 38 11.706 3.145 10.774 1.00 0.00 H ATOM 618 HA2 GLY A 38 10.455 1.896 10.971 1.00 0.00 H ATOM 619 H GLY A 38 11.736 3.050 13.408 1.00 0.00 H ATOM 620 N ALA A 39 12.582 0.612 10.299 1.00 13.85 N ATOM 621 CA ALA A 39 13.661 -0.371 10.081 1.00 14.21 C ATOM 622 C ALA A 39 14.505 -0.065 8.842 1.00 14.93 C ATOM 623 O ALA A 39 13.981 0.289 7.784 1.00 14.49 O ATOM 624 CB ALA A 39 13.068 -1.770 9.918 1.00 14.66 C ATOM 625 HA ALA A 39 14.308 -0.315 10.957 1.00 0.00 H ATOM 626 HB1 ALA A 39 12.516 -2.036 10.819 1.00 0.00 H ATOM 627 HB2 ALA A 39 12.394 -1.780 9.061 1.00 0.00 H ATOM 628 HB3 ALA A 39 13.872 -2.488 9.758 1.00 0.00 H ATOM 629 H ALA A 39 11.917 0.799 9.522 1.00 0.00 H ATOM 630 N CYS A 40 15.823 -0.236 8.959 1.00 16.07 N ATOM 631 CA CYS A 40 16.732 -0.104 7.816 1.00 16.10 C ATOM 632 C CYS A 40 17.967 -0.978 8.053 1.00 17.26 C ATOM 633 O CYS A 40 18.587 -0.846 9.110 1.00 17.21 O ATOM 634 CB CYS A 40 17.129 1.367 7.626 1.00 16.25 C ATOM 635 SG CYS A 40 18.134 1.770 6.174 1.00 13.68 S ATOM 636 HA CYS A 40 16.233 -0.438 6.906 1.00 0.00 H ATOM 637 HB2 CYS A 40 17.690 1.673 8.509 1.00 0.00 H ATOM 638 HB3 CYS A 40 16.210 1.950 7.561 1.00 0.00 H ATOM 639 HG CYS A 40 17.446 1.421 5.029 1.00 0.00 H ATOM 640 H CYS A 40 16.219 -0.471 9.892 1.00 0.00 H ATOM 641 N HIS A 41 18.290 -1.838 7.082 1.00 18.61 N ATOM 642 CA HIS A 41 19.486 -2.682 7.114 1.00 20.44 C ATOM 643 C HIS A 41 19.596 -3.440 8.443 1.00 20.92 C ATOM 644 O HIS A 41 20.668 -3.479 9.077 1.00 20.98 O ATOM 645 CB HIS A 41 20.723 -1.815 6.830 1.00 21.69 C ATOM 646 CG HIS A 41 21.711 -2.455 5.891 1.00 23.48 C ATOM 647 ND1 HIS A 41 22.930 -2.945 6.314 1.00 29.12 N ATOM 648 CD2 HIS A 41 21.653 -2.693 4.560 1.00 24.26 C ATOM 649 CE1 HIS A 41 23.588 -3.440 5.280 1.00 25.37 C ATOM 650 NE2 HIS A 41 22.837 -3.299 4.203 1.00 26.41 N ATOM 651 HA HIS A 41 19.416 -3.443 6.337 1.00 0.00 H ATOM 652 HB2 HIS A 41 20.390 -0.875 6.391 1.00 0.00 H ATOM 653 HB3 HIS A 41 21.227 -1.615 7.775 1.00 0.00 H ATOM 654 HD2 HIS A 41 20.824 -2.450 3.895 1.00 0.00 H ATOM 655 HE1 HIS A 41 24.581 -3.888 5.311 1.00 0.00 H ATOM 656 H HIS A 41 17.658 -1.912 6.260 1.00 0.00 H ATOM 657 N GLY A 42 18.469 -4.020 8.889 1.00 21.03 N ATOM 658 CA GLY A 42 18.468 -4.888 10.057 1.00 21.68 C ATOM 659 C GLY A 42 18.419 -4.237 11.433 1.00 22.39 C ATOM 660 O GLY A 42 18.472 -4.927 12.477 1.00 22.92 O ATOM 661 HA3 GLY A 42 19.376 -5.489 10.015 1.00 0.00 H ATOM 662 HA2 GLY A 42 17.598 -5.540 9.976 1.00 0.00 H ATOM 663 H GLY A 42 17.575 -3.844 8.387 1.00 0.00 H ATOM 664 N GLN A 43 18.351 -2.909 11.463 1.00 21.72 N ATOM 665 CA GLN A 43 18.140 -2.207 12.715 1.00 22.22 C ATOM 666 C GLN A 43 16.762 -1.584 12.698 1.00 21.47 C ATOM 667 O GLN A 43 16.233 -1.265 11.631 1.00 20.84 O ATOM 668 CB GLN A 43 19.180 -1.117 12.905 1.00 23.09 C ATOM 669 CG GLN A 43 20.570 -1.668 13.076 1.00 27.37 C ATOM 670 CD GLN A 43 21.564 -0.601 13.396 1.00 31.08 C ATOM 671 OE1 GLN A 43 21.548 0.488 12.811 1.00 35.74 O ATOM 672 NE2 GLN A 43 22.443 -0.896 14.327 1.00 34.76 N ATOM 673 HA GLN A 43 18.229 -2.916 13.538 1.00 0.00 H ATOM 674 HB2 GLN A 43 19.167 -0.466 12.031 1.00 0.00 H ATOM 675 HB3 GLN A 43 18.922 -0.538 13.792 1.00 0.00 H ATOM 676 HG2 GLN A 43 20.562 -2.396 13.887 1.00 0.00 H ATOM 677 HG3 GLN A 43 20.869 -2.161 12.151 1.00 0.00 H ATOM 678 HE22 GLN A 43 22.416 -1.826 14.791 1.00 0.00 H ATOM 679 HE21 GLN A 43 23.165 -0.199 14.600 1.00 0.00 H ATOM 680 H GLN A 43 18.450 -2.368 10.580 1.00 0.00 H ATOM 681 N THR A 44 16.182 -1.429 13.877 1.00 20.88 N ATOM 682 CA THR A 44 14.906 -0.762 14.016 1.00 20.37 C ATOM 683 C THR A 44 15.091 0.283 15.101 1.00 19.40 C ATOM 684 O THR A 44 15.944 0.140 15.973 1.00 20.82 O ATOM 685 CB THR A 44 13.814 -1.747 14.418 1.00 20.77 C ATOM 686 OG1 THR A 44 14.117 -2.252 15.715 1.00 24.32 O ATOM 687 CG2 THR A 44 13.787 -2.925 13.466 1.00 19.32 C ATOM 688 HA THR A 44 14.598 -0.314 13.071 1.00 0.00 H ATOM 689 HB THR A 44 12.852 -1.234 14.399 1.00 0.00 H ATOM 690 HG1 THR A 44 14.151 -1.502 16.360 1.00 0.00 H ATOM 691 HG23 THR A 44 13.557 -2.573 12.460 1.00 0.00 H ATOM 692 HG21 THR A 44 14.761 -3.414 13.467 1.00 0.00 H ATOM 693 HG22 THR A 44 13.023 -3.633 13.788 1.00 0.00 H ATOM 694 H THR A 44 16.656 -1.797 14.727 1.00 0.00 H ATOM 695 N GLY A 45 14.305 1.342 15.064 1.00 17.21 N ATOM 696 CA GLY A 45 14.402 2.343 16.098 1.00 15.80 C ATOM 697 C GLY A 45 13.592 3.543 15.714 1.00 15.06 C ATOM 698 O GLY A 45 12.985 3.556 14.633 1.00 14.67 O ATOM 699 HA3 GLY A 45 15.445 2.634 16.225 1.00 0.00 H ATOM 700 HA2 GLY A 45 14.024 1.935 17.035 1.00 0.00 H ATOM 701 H GLY A 45 13.618 1.455 14.292 1.00 0.00 H ATOM 702 N MET A 46 13.589 4.542 16.594 1.00 14.06 N ATOM 703 CA MET A 46 12.823 5.753 16.389 1.00 13.66 C ATOM 704 C MET A 46 13.614 6.759 15.593 1.00 12.87 C ATOM 705 O MET A 46 14.820 6.864 15.768 1.00 12.19 O ATOM 706 CB MET A 46 12.433 6.391 17.715 1.00 15.05 C ATOM 707 CG MET A 46 11.777 5.433 18.691 1.00 17.13 C ATOM 708 SD MET A 46 10.287 4.712 17.989 1.00 20.25 S ATOM 709 CE MET A 46 9.306 6.181 17.672 1.00 18.42 C ATOM 710 HA MET A 46 11.923 5.471 15.842 1.00 0.00 H ATOM 711 HB2 MET A 46 13.333 6.792 18.181 1.00 0.00 H ATOM 712 HB3 MET A 46 11.737 7.205 17.513 1.00 0.00 H ATOM 713 HG2 MET A 46 11.516 5.974 19.601 1.00 0.00 H ATOM 714 HG3 MET A 46 12.479 4.635 18.933 1.00 0.00 H ATOM 715 HE1 MET A 46 9.133 6.710 18.609 1.00 0.00 H ATOM 716 HE2 MET A 46 9.841 6.831 16.980 1.00 0.00 H ATOM 717 HE3 MET A 46 8.351 5.891 17.235 1.00 0.00 H ATOM 718 H MET A 46 14.157 4.449 17.460 1.00 0.00 H ATOM 719 N PHE A 47 12.925 7.500 14.734 1.00 12.44 N ATOM 720 CA PHE A 47 13.578 8.536 13.929 1.00 12.13 C ATOM 721 C PHE A 47 12.650 9.740 13.722 1.00 12.35 C ATOM 722 O PHE A 47 11.411 9.616 13.797 1.00 11.91 O ATOM 723 CB PHE A 47 14.055 7.957 12.579 1.00 12.89 C ATOM 724 CG PHE A 47 12.933 7.586 11.661 1.00 11.49 C ATOM 725 CD1 PHE A 47 12.471 8.500 10.684 1.00 11.41 C ATOM 726 CD2 PHE A 47 12.313 6.319 11.777 1.00 12.17 C ATOM 727 CE1 PHE A 47 11.414 8.155 9.830 1.00 10.40 C ATOM 728 CE2 PHE A 47 11.247 5.962 10.921 1.00 11.76 C ATOM 729 CZ PHE A 47 10.794 6.894 9.948 1.00 11.60 C ATOM 730 HA PHE A 47 14.455 8.887 14.473 1.00 0.00 H ATOM 731 HB2 PHE A 47 14.675 8.703 12.083 1.00 0.00 H ATOM 732 HB3 PHE A 47 14.650 7.065 12.776 1.00 0.00 H ATOM 733 HD2 PHE A 47 12.660 5.614 12.532 1.00 0.00 H ATOM 734 HE2 PHE A 47 10.777 4.982 11.006 1.00 0.00 H ATOM 735 HZ PHE A 47 9.964 6.633 9.291 1.00 0.00 H ATOM 736 HE1 PHE A 47 11.071 8.862 9.074 1.00 0.00 H ATOM 737 HD1 PHE A 47 12.941 9.480 10.595 1.00 0.00 H ATOM 738 H PHE A 47 11.902 7.342 14.630 1.00 0.00 H ATOM 739 N PRO A 48 13.257 10.917 13.474 1.00 12.27 N ATOM 740 CA PRO A 48 12.484 12.134 13.266 1.00 12.36 C ATOM 741 C PRO A 48 11.869 12.220 11.869 1.00 12.04 C ATOM 742 O PRO A 48 12.572 12.101 10.845 1.00 11.31 O ATOM 743 CB PRO A 48 13.502 13.251 13.524 1.00 13.34 C ATOM 744 CG PRO A 48 14.835 12.618 13.291 1.00 12.89 C ATOM 745 CD PRO A 48 14.713 11.178 13.597 1.00 12.42 C ATOM 746 HA PRO A 48 11.618 12.189 13.925 1.00 0.00 H ATOM 747 HD3 PRO A 48 15.278 10.579 12.883 1.00 0.00 H ATOM 748 HD2 PRO A 48 15.063 10.963 14.607 1.00 0.00 H ATOM 749 HG3 PRO A 48 15.581 13.074 13.942 1.00 0.00 H ATOM 750 HG2 PRO A 48 15.132 12.752 12.251 1.00 0.00 H ATOM 751 HB2 PRO A 48 13.345 14.080 12.834 1.00 0.00 H ATOM 752 HB3 PRO A 48 13.423 13.613 14.549 1.00 0.00 H ATOM 753 N ARG A 49 10.553 12.447 11.834 1.00 11.60 N ATOM 754 CA ARG A 49 9.852 12.453 10.548 1.00 13.09 C ATOM 755 C ARG A 49 10.346 13.577 9.624 1.00 11.85 C ATOM 756 O ARG A 49 10.293 13.453 8.400 1.00 11.05 O ATOM 757 CB ARG A 49 8.316 12.460 10.734 1.00 14.87 C ATOM 758 CG ARG A 49 7.628 13.756 10.449 1.00 21.43 C ATOM 759 CD ARG A 49 6.345 13.516 9.652 1.00 27.72 C ATOM 760 NE ARG A 49 5.171 13.433 10.514 1.00 34.12 N ATOM 761 CZ ARG A 49 3.905 13.404 10.091 1.00 35.38 C ATOM 762 NH1 ARG A 49 2.932 13.334 10.983 1.00 37.01 N ATOM 763 NH2 ARG A 49 3.603 13.424 8.790 1.00 36.30 N ATOM 764 HA ARG A 49 10.098 11.519 10.042 1.00 0.00 H ATOM 765 HB2 ARG A 49 7.896 11.706 10.069 1.00 0.00 H ATOM 766 HB3 ARG A 49 8.104 12.190 11.768 1.00 0.00 H ATOM 767 HG2 ARG A 49 7.380 14.246 11.391 1.00 0.00 H ATOM 768 HG3 ARG A 49 8.294 14.397 9.872 1.00 0.00 H ATOM 769 HD2 ARG A 49 6.443 12.581 9.100 1.00 0.00 H ATOM 770 HD3 ARG A 49 6.208 14.338 8.950 1.00 0.00 H ATOM 771 HE ARG A 49 5.333 13.393 11.540 1.00 0.00 H ATOM 772 HH12 ARG A 49 1.940 13.311 10.670 1.00 0.00 H ATOM 773 HH11 ARG A 49 3.158 13.302 11.998 1.00 0.00 H ATOM 774 HH22 ARG A 49 2.609 13.401 8.487 1.00 0.00 H ATOM 775 HH21 ARG A 49 4.362 13.463 8.080 1.00 0.00 H ATOM 776 H ARG A 49 10.029 12.619 12.716 1.00 0.00 H ATOM 777 N ASN A 50 10.849 14.671 10.199 1.00 11.55 N ATOM 778 CA ASN A 50 11.341 15.782 9.360 1.00 11.68 C ATOM 779 C ASN A 50 12.670 15.506 8.631 1.00 10.95 C ATOM 780 O ASN A 50 13.149 16.340 7.865 1.00 11.95 O ATOM 781 CB ASN A 50 11.403 17.118 10.166 1.00 11.64 C ATOM 782 CG ASN A 50 12.339 17.050 11.393 1.00 15.36 C ATOM 783 OD1 ASN A 50 12.544 15.981 11.998 1.00 14.94 O ATOM 784 ND2 ASN A 50 12.832 18.223 11.823 1.00 17.45 N ATOM 785 HA ASN A 50 10.601 15.881 8.566 1.00 0.00 H ATOM 786 HB2 ASN A 50 11.759 17.906 9.503 1.00 0.00 H ATOM 787 HB3 ASN A 50 10.398 17.361 10.511 1.00 0.00 H ATOM 788 HD22 ASN A 50 12.639 19.095 11.290 1.00 0.00 H ATOM 789 HD21 ASN A 50 13.407 18.259 12.689 1.00 0.00 H ATOM 790 H ASN A 50 10.894 14.741 11.236 1.00 0.00 H ATOM 791 N TYR A 51 13.259 14.327 8.859 1.00 9.32 N ATOM 792 CA TYR A 51 14.501 13.940 8.192 1.00 8.65 C ATOM 793 C TYR A 51 14.253 13.063 6.969 1.00 9.36 C ATOM 794 O TYR A 51 15.211 12.620 6.325 1.00 9.53 O ATOM 795 CB TYR A 51 15.412 13.180 9.168 1.00 8.05 C ATOM 796 CG TYR A 51 16.278 14.071 10.034 1.00 7.35 C ATOM 797 CD1 TYR A 51 17.679 13.986 9.969 1.00 7.21 C ATOM 798 CD2 TYR A 51 15.701 15.013 10.899 1.00 8.40 C ATOM 799 CE1 TYR A 51 18.484 14.797 10.765 1.00 8.53 C ATOM 800 CE2 TYR A 51 16.496 15.840 11.696 1.00 9.29 C ATOM 801 CZ TYR A 51 17.888 15.715 11.629 1.00 9.40 C ATOM 802 OH TYR A 51 18.698 16.534 12.391 1.00 12.25 O ATOM 803 HA TYR A 51 14.981 14.861 7.861 1.00 0.00 H ATOM 804 HB3 TYR A 51 16.065 12.528 8.588 1.00 0.00 H ATOM 805 HB2 TYR A 51 14.783 12.575 9.821 1.00 0.00 H ATOM 806 HD2 TYR A 51 14.616 15.101 10.950 1.00 0.00 H ATOM 807 HE2 TYR A 51 16.038 16.573 12.361 1.00 0.00 H ATOM 808 HE1 TYR A 51 19.570 14.715 10.713 1.00 0.00 H ATOM 809 HD1 TYR A 51 18.143 13.275 9.285 1.00 0.00 H ATOM 810 HH TYR A 51 18.532 17.479 12.147 1.00 0.00 H ATOM 811 H TYR A 51 12.820 13.666 9.531 1.00 0.00 H ATOM 812 N VAL A 52 12.979 12.805 6.661 1.00 8.87 N ATOM 813 CA VAL A 52 12.631 11.860 5.582 1.00 8.99 C ATOM 814 C VAL A 52 11.544 12.395 4.658 1.00 9.07 C ATOM 815 O VAL A 52 10.848 13.380 4.986 1.00 10.39 O ATOM 816 CB VAL A 52 12.172 10.468 6.141 1.00 9.22 C ATOM 817 CG1 VAL A 52 13.228 9.908 7.111 1.00 8.94 C ATOM 818 CG2 VAL A 52 10.800 10.552 6.790 1.00 9.54 C ATOM 819 HA VAL A 52 13.550 11.736 5.008 1.00 0.00 H ATOM 820 HB VAL A 52 12.081 9.776 5.304 1.00 0.00 H ATOM 821 HG11 VAL A 52 14.175 9.786 6.585 1.00 0.00 H ATOM 822 HG12 VAL A 52 13.359 10.601 7.942 1.00 0.00 H ATOM 823 HG13 VAL A 52 12.895 8.942 7.490 1.00 0.00 H ATOM 824 HG21 VAL A 52 10.833 11.262 7.616 1.00 0.00 H ATOM 825 HG22 VAL A 52 10.070 10.885 6.052 1.00 0.00 H ATOM 826 HG23 VAL A 52 10.516 9.569 7.165 1.00 0.00 H ATOM 827 H VAL A 52 12.219 13.278 7.191 1.00 0.00 H ATOM 828 N THR A 53 11.399 11.739 3.511 1.00 9.09 N ATOM 829 CA THR A 53 10.325 12.077 2.590 1.00 10.03 C ATOM 830 C THR A 53 9.654 10.807 2.072 1.00 9.93 C ATOM 831 O THR A 53 10.289 9.745 2.041 1.00 10.02 O ATOM 832 CB THR A 53 10.835 13.003 1.450 1.00 10.24 C ATOM 833 OG1 THR A 53 9.704 13.617 0.822 1.00 13.55 O ATOM 834 CG2 THR A 53 11.672 12.295 0.408 1.00 11.32 C ATOM 835 HA THR A 53 9.564 12.646 3.124 1.00 0.00 H ATOM 836 HB THR A 53 11.492 13.742 1.909 1.00 0.00 H ATOM 837 HG1 THR A 53 9.204 14.148 1.491 1.00 0.00 H ATOM 838 HG23 THR A 53 12.532 11.829 0.890 1.00 0.00 H ATOM 839 HG21 THR A 53 11.069 11.530 -0.082 1.00 0.00 H ATOM 840 HG22 THR A 53 12.016 13.017 -0.332 1.00 0.00 H ATOM 841 H THR A 53 12.062 10.975 3.269 1.00 0.00 H ATOM 842 N ALA A 54 8.398 10.919 1.648 1.00 10.45 N ATOM 843 CA ALA A 54 7.640 9.740 1.211 1.00 9.86 C ATOM 844 C ALA A 54 8.225 9.090 -0.028 1.00 11.01 C ATOM 845 O ALA A 54 8.707 9.794 -0.955 1.00 12.54 O ATOM 846 CB ALA A 54 6.227 10.165 0.926 1.00 12.45 C ATOM 847 HA ALA A 54 7.683 9.000 2.010 1.00 0.00 H ATOM 848 HB1 ALA A 54 5.784 10.580 1.831 1.00 0.00 H ATOM 849 HB2 ALA A 54 6.228 10.921 0.141 1.00 0.00 H ATOM 850 HB3 ALA A 54 5.648 9.301 0.600 1.00 0.00 H ATOM 851 H ALA A 54 7.946 11.856 1.626 1.00 0.00 H ATOM 852 N VAL A 55 8.171 7.748 -0.061 1.00 10.28 N ATOM 853 CA VAL A 55 8.506 7.011 -1.268 1.00 12.00 C ATOM 854 C VAL A 55 7.168 6.563 -1.819 1.00 12.51 C ATOM 855 O VAL A 55 6.688 7.114 -2.796 1.00 13.46 O ATOM 856 CB VAL A 55 9.436 5.801 -1.004 1.00 11.78 C ATOM 857 CG1 VAL A 55 9.645 5.003 -2.299 1.00 13.99 C ATOM 858 CG2 VAL A 55 10.770 6.298 -0.435 1.00 12.01 C ATOM 859 HA VAL A 55 9.067 7.634 -1.965 1.00 0.00 H ATOM 860 HB VAL A 55 8.975 5.136 -0.274 1.00 0.00 H ATOM 861 HG11 VAL A 55 8.682 4.642 -2.661 1.00 0.00 H ATOM 862 HG12 VAL A 55 10.100 5.647 -3.052 1.00 0.00 H ATOM 863 HG13 VAL A 55 10.300 4.155 -2.100 1.00 0.00 H ATOM 864 HG21 VAL A 55 11.241 6.970 -1.152 1.00 0.00 H ATOM 865 HG22 VAL A 55 10.590 6.830 0.499 1.00 0.00 H ATOM 866 HG23 VAL A 55 11.424 5.446 -0.249 1.00 0.00 H ATOM 867 H VAL A 55 7.884 7.227 0.792 1.00 0.00 H ATOM 868 N ASN A 56 6.535 5.625 -1.132 1.00 12.54 N ATOM 869 CA ASN A 56 5.253 5.108 -1.617 1.00 13.50 C ATOM 870 C ASN A 56 4.126 5.510 -0.682 1.00 15.21 C ATOM 871 O ASN A 56 3.087 4.844 -0.622 1.00 16.97 O ATOM 872 CB ASN A 56 5.333 3.577 -1.793 1.00 12.24 C ATOM 873 CG ASN A 56 5.520 2.856 -0.488 1.00 12.12 C ATOM 874 OD1 ASN A 56 5.806 3.478 0.534 1.00 11.72 O ATOM 875 ND2 ASN A 56 5.316 1.545 -0.493 1.00 10.32 N ATOM 876 HA ASN A 56 5.037 5.546 -2.591 1.00 0.00 H ATOM 877 OXT ASN A 56 4.215 6.491 0.081 1.00 16.76 O ATOM 878 HB2 ASN A 56 4.409 3.229 -2.255 1.00 0.00 H ATOM 879 HB3 ASN A 56 6.174 3.343 -2.445 1.00 0.00 H ATOM 880 HD22 ASN A 56 5.076 1.059 -1.381 1.00 0.00 H ATOM 881 HD21 ASN A 56 5.396 1.003 0.391 1.00 0.00 H ATOM 882 H ASN A 56 6.946 5.256 -0.251 1.00 0.00 H TER 883 ASN A 56 HETATM 884 O HOH 1 1.682 0.540 1.145 1.00 21.38 O HETATM 885 O HOH 2 1.342 -0.119 5.006 1.00 31.90 O HETATM 886 O HOH 3 12.458 -6.104 5.009 1.00 26.98 O HETATM 887 O HOH 4 1.956 3.341 2.093 1.00 29.80 O HETATM 888 O HOH 5 4.569 -0.055 6.690 1.00 16.62 O HETATM 889 O HOH 6 13.377 -4.193 3.227 1.00 32.52 O HETATM 890 O HOH 7 9.330 -3.975 3.868 1.00 64.27 O HETATM 891 O HOH 8 17.086 7.194 -4.573 1.00 39.14 O HETATM 892 O HOH 9 18.888 12.494 0.423 1.00 15.21 O HETATM 893 O HOH 10 27.003 13.318 14.416 1.00 12.18 O HETATM 894 O HOH 11 22.161 13.851 13.230 1.00 14.87 O HETATM 895 O HOH 12 20.540 13.314 16.301 1.00 14.51 O HETATM 896 O HOH 13 0.119 12.071 13.000 1.00 30.63 O HETATM 897 O HOH 14 25.384 7.516 17.614 1.00 30.29 O HETATM 898 O HOH 15 21.528 17.821 18.491 1.00 24.53 O HETATM 899 O HOH 16 11.971 -4.119 6.783 1.00 39.28 O HETATM 900 O HOH 17 13.443 1.735 19.667 1.00 24.35 O HETATM 901 O HOH 18 5.792 13.729 -0.868 1.00 20.70 O HETATM 902 O HOH 19 4.815 8.406 4.310 1.00 29.67 O HETATM 903 O HOH 20 31.206 6.655 6.629 1.00 39.07 O HETATM 904 O HOH 21 24.366 8.626 1.850 1.00 20.95 O HETATM 905 O HOH 22 22.107 5.738 1.299 1.00 23.40 O HETATM 906 O HOH 23 15.197 -1.027 4.028 1.00 21.62 O HETATM 907 O HOH 24 18.585 1.799 1.817 1.00 21.12 O HETATM 908 O HOH 25 8.489 -5.097 5.767 1.00106.09 O HETATM 909 O HOH 26 2.074 10.502 11.922 1.00 26.30 O HETATM 910 O HOH 27 1.329 10.074 9.618 1.00 42.65 O HETATM 911 O HOH 28 -0.867 4.760 13.307 1.00 32.03 O HETATM 912 O HOH 29 6.028 14.272 19.302 1.00 36.46 O HETATM 913 O HOH 30 8.891 16.411 12.830 1.00 28.57 O HETATM 914 O HOH 31 5.211 7.084 15.950 1.00 21.68 O HETATM 915 O HOH 32 13.997 -2.250 6.150 1.00 25.63 O HETATM 916 O HOH 33 17.128 -2.528 4.639 1.00 27.05 O HETATM 917 O HOH 34 15.754 -3.965 8.026 1.00 21.42 O HETATM 918 O HOH 35 15.142 -4.296 10.785 1.00 25.75 O HETATM 919 O HOH 36 20.796 2.627 14.395 1.00 25.32 O HETATM 920 O HOH 37 8.076 13.228 6.529 1.00 24.47 O HETATM 921 O HOH 38 12.019 20.548 9.913 1.00 25.58 O HETATM 922 O HOH 39 9.895 15.952 5.110 1.00 24.13 O HETATM 923 O HOH 40 8.498 12.609 -1.300 1.00 16.40 O HETATM 924 O HOH 41 8.548 15.260 2.777 1.00 27.80 O HETATM 925 O HOH 42 6.729 13.112 2.725 1.00 24.45 O HETATM 926 O HOH 43 6.785 11.530 4.841 1.00 33.55 O HETATM 927 O HOH 44 7.607 9.329 -4.180 1.00 28.38 O HETATM 928 O HOH 45 5.944 7.036 2.106 1.00 15.08 O HETATM 929 O HOH 46 3.076 8.689 -1.088 1.00 29.73 O HETATM 930 O HOH 47 19.482 21.226 14.035 1.00 28.68 O HETATM 931 O HOH 48 11.948 19.964 14.491 1.00 22.35 O HETATM 932 O HOH 49 18.587 19.078 16.831 1.00 17.17 O HETATM 933 O HOH 50 12.722 21.208 18.269 1.00 40.17 O HETATM 934 O HOH 51 15.295 18.432 20.880 1.00 36.50 O HETATM 935 O HOH 52 14.333 15.765 20.952 1.00 35.96 O HETATM 936 N ALA A 53 22.684 23.128 7.912 1.00 0.24 N HETATM 937 CA ALA A 53 22.703 22.158 9.061 1.00 0.06 C HETATM 938 C ALA A 53 21.439 21.295 9.007 1.00 0.23 C HETATM 939 O ALA A 53 20.429 21.752 8.486 1.00 -0.39 O HETATM 940 N ALA A 53 21.475 20.044 9.534 1.00 -0.25 N HETATM 941 CA ALA A 53 20.222 19.278 9.405 1.00 0.13 C HETATM 942 C ALA A 53 19.146 19.872 10.331 1.00 0.21 C HETATM 943 O ALA A 53 19.492 20.651 11.232 1.00 -0.39 O HETATM 944 N ALA A 53 17.865 19.522 10.113 1.00 -0.25 N HETATM 945 CA ALA A 53 16.776 20.147 10.863 1.00 0.13 C HETATM 946 C ALA A 53 16.851 19.825 12.352 1.00 0.21 C HETATM 947 O ALA A 53 17.400 18.798 12.739 1.00 -0.39 O HETATM 948 N ALA A 53 16.297 20.699 13.207 1.00 -0.25 N HETATM 949 CA ALA A 53 16.307 20.349 14.638 1.00 0.13 C HETATM 950 C ALA A 53 15.534 19.071 14.966 1.00 0.20 C HETATM 951 O ALA A 53 14.466 18.827 14.390 1.00 -0.39 O HETATM 952 N ALA A 53 16.061 18.274 15.881 1.00 -0.26 N HETATM 953 CA ALA A 53 15.330 17.108 16.372 1.00 0.13 C HETATM 954 C ALA A 53 14.009 17.604 16.977 1.00 0.21 C HETATM 955 O ALA A 53 14.029 18.525 17.819 1.00 -0.39 O HETATM 956 N ALA A 53 12.868 17.012 16.554 1.00 -0.25 N HETATM 957 CA ALA A 53 11.572 17.446 17.066 1.00 0.13 C HETATM 958 C ALA A 53 11.348 16.939 18.478 1.00 0.21 C HETATM 959 O ALA A 53 12.113 16.096 18.976 1.00 -0.39 O HETATM 960 N ALA A 53 10.313 17.476 19.151 1.00 -0.25 N HETATM 961 CA ALA A 53 10.085 17.080 20.525 1.00 0.13 C HETATM 962 C ALA A 53 9.767 15.597 20.619 1.00 0.20 C HETATM 963 O ALA A 53 9.013 15.054 19.796 1.00 -0.39 O HETATM 964 N ALA A 53 10.353 14.931 21.600 1.00 -0.26 N HETATM 965 CA ALA A 53 9.871 13.600 21.922 1.00 0.13 C HETATM 966 C ALA A 53 8.553 13.746 22.690 1.00 0.21 C HETATM 967 O ALA A 53 8.442 14.610 23.574 1.00 -0.39 O HETATM 968 N ALA A 53 7.539 12.938 22.332 1.00 -0.25 N HETATM 969 CA ALA A 53 6.188 13.063 22.921 1.00 0.12 C HETATM 970 C ALA A 53 6.109 12.754 24.426 1.00 0.12 C HETATM 971 O ALA A 53 7.047 12.193 25.003 1.00 -0.37 O HETATM 972 H70 ALA A 53 5.219 13.032 24.988 1.00 0.14 H HETATM 973 CB ALA A 53 5.362 12.044 22.130 1.00 -0.01 C HETATM 974 CG ALA A 53 6.374 11.080 21.559 1.00 -0.03 C HETATM 975 CD ALA A 53 7.595 11.884 21.296 1.00 0.04 C HETATM 976 H75 ALA A 53 8.502 11.271 21.406 1.00 0.05 H HETATM 977 H76 ALA A 53 7.569 12.322 20.287 1.00 0.05 H HETATM 978 H73 ALA A 53 5.998 10.638 20.625 1.00 0.03 H HETATM 979 H74 ALA A 53 6.591 10.280 22.282 1.00 0.03 H HETATM 980 H71 ALA A 53 4.804 12.541 21.323 1.00 0.03 H HETATM 981 H72 ALA A 53 4.659 11.519 22.793 1.00 0.03 H HETATM 982 H69 ALA A 53 5.806 14.082 22.757 1.00 0.08 H HETATM 983 CB ALA A 53 10.909 12.810 22.696 1.00 -0.01 C HETATM 984 CG ALA A 53 12.133 12.518 21.859 1.00 -0.04 C HETATM 985 CD ALA A 53 12.552 11.093 21.946 1.00 -0.01 C HETATM 986 CE ALA A 53 13.824 10.886 21.142 1.00 -0.04 C HETATM 987 NZ ALA A 53 14.399 9.548 21.364 1.00 0.22 N HETATM 988 H66 ALA A 53 15.239 9.448 20.816 1.00 0.20 H HETATM 989 H67 ALA A 53 13.732 8.845 21.087 1.00 0.20 H HETATM 990 H68 ALA A 53 14.620 9.435 22.341 1.00 0.20 H HETATM 991 H64 ALA A 53 14.562 11.645 21.441 1.00 0.08 H HETATM 992 H65 ALA A 53 13.592 11.001 20.073 1.00 0.08 H HETATM 993 H62 ALA A 53 11.755 10.452 21.542 1.00 0.03 H HETATM 994 H63 ALA A 53 12.737 10.829 22.998 1.00 0.03 H HETATM 995 H60 ALA A 53 12.961 13.152 22.210 1.00 0.03 H HETATM 996 H61 ALA A 53 11.908 12.757 20.809 1.00 0.03 H HETATM 997 H58 ALA A 53 10.463 11.858 23.019 1.00 0.03 H HETATM 998 H59 ALA A 53 11.212 13.391 23.579 1.00 0.03 H HETATM 999 H57 ALA A 53 9.669 13.062 20.984 1.00 0.08 H HETATM 1000 H56 ALA A 53 11.112 15.336 22.109 1.00 0.19 H HETATM 1001 CB ALA A 53 8.854 17.912 20.938 1.00 -0.01 C HETATM 1002 CG ALA A 53 8.764 19.038 19.937 1.00 -0.03 C HETATM 1003 CD ALA A 53 9.304 18.440 18.665 1.00 0.04 C HETATM 1004 H54 ALA A 53 8.510 17.930 18.100 1.00 0.05 H HETATM 1005 H55 ALA A 53 9.767 19.211 18.032 1.00 0.05 H HETATM 1006 H52 ALA A 53 9.376 19.895 20.256 1.00 0.03 H HETATM 1007 H53 ALA A 53 7.721 19.361 19.805 1.00 0.03 H HETATM 1008 H50 ALA A 53 8.986 18.312 21.954 1.00 0.03 H HETATM 1009 H51 ALA A 53 7.945 17.294 20.902 1.00 0.03 H HETATM 1010 H49 ALA A 53 10.956 17.315 21.155 1.00 0.08 H HETATM 1011 CB ALA A 53 10.562 16.844 16.068 1.00 -0.01 C HETATM 1012 CG ALA A 53 11.258 15.707 15.414 1.00 -0.03 C HETATM 1013 CD ALA A 53 12.748 15.901 15.579 1.00 0.04 C HETATM 1014 H47 ALA A 53 13.219 14.987 15.970 1.00 0.05 H HETATM 1015 H48 ALA A 53 13.214 16.172 14.620 1.00 0.05 H HETATM 1016 H45 ALA A 53 11.003 15.681 14.344 1.00 0.03 H HETATM 1017 H46 ALA A 53 10.952 14.762 15.887 1.00 0.03 H HETATM 1018 H43 ALA A 53 10.271 17.595 15.319 1.00 0.03 H HETATM 1019 H44 ALA A 53 9.666 16.489 16.599 1.00 0.03 H HETATM 1020 H42 ALA A 53 11.503 18.544 17.065 1.00 0.08 H HETATM 1021 CB ALA A 53 16.154 16.354 17.421 1.00 -0.01 C HETATM 1022 CG ALA A 53 17.498 15.808 16.920 1.00 -0.02 C HETATM 1023 CD ALA A 53 18.476 15.519 18.055 1.00 0.06 C HETATM 1024 NE ALA A 53 17.893 14.718 19.145 1.00 -0.27 N HETATM 1025 CZ ALA A 53 17.872 13.383 19.196 1.00 0.29 C HETATM 1026 NH1 ALA A 53 17.292 12.773 20.227 1.00 -0.28 N HETATM 1027 H38 ALA A 53 17.273 11.744 20.272 1.00 0.26 H HETATM 1028 H39 ALA A 53 16.863 13.330 20.980 1.00 0.26 H HETATM 1029 NH2 ALA A 53 18.418 12.643 18.235 1.00 -0.28 N HETATM 1030 H40 ALA A 53 18.871 13.098 17.430 1.00 0.26 H HETATM 1031 H41 ALA A 53 18.388 11.615 18.296 1.00 0.26 H HETATM 1032 H37 ALA A 53 17.467 15.228 19.932 1.00 0.26 H HETATM 1033 H35 ALA A 53 18.818 16.478 18.472 1.00 0.07 H HETATM 1034 H36 ALA A 53 19.336 14.971 17.642 1.00 0.07 H HETATM 1035 H33 ALA A 53 17.950 16.550 16.246 1.00 0.03 H HETATM 1036 H34 ALA A 53 17.315 14.875 16.367 1.00 0.03 H HETATM 1037 H31 ALA A 53 15.554 15.505 17.781 1.00 0.03 H HETATM 1038 H32 ALA A 53 16.355 17.041 18.256 1.00 0.03 H HETATM 1039 H30 ALA A 53 15.117 16.430 15.533 1.00 0.08 H HETATM 1040 H29 ALA A 53 16.972 18.472 16.242 1.00 0.19 H HETATM 1041 CB ALA A 53 15.600 21.543 15.297 1.00 -0.01 C HETATM 1042 CG ALA A 53 15.651 22.649 14.246 1.00 -0.03 C HETATM 1043 CD ALA A 53 15.574 21.949 12.937 1.00 0.04 C HETATM 1044 H27 ALA A 53 14.530 21.752 12.652 1.00 0.05 H HETATM 1045 H28 ALA A 53 16.067 22.531 12.145 1.00 0.05 H HETATM 1046 H25 ALA A 53 16.591 23.214 14.326 1.00 0.03 H HETATM 1047 H26 ALA A 53 14.800 23.335 14.367 1.00 0.03 H HETATM 1048 H23 ALA A 53 16.129 21.851 16.211 1.00 0.03 H HETATM 1049 H24 ALA A 53 14.558 21.290 15.544 1.00 0.03 H HETATM 1050 H22 ALA A 53 17.341 20.248 14.999 1.00 0.08 H HETATM 1051 CB ALA A 53 15.524 19.477 10.273 1.00 -0.01 C HETATM 1052 CG ALA A 53 15.912 18.989 8.940 1.00 -0.03 C HETATM 1053 CD ALA A 53 17.361 18.603 9.070 1.00 0.04 C HETATM 1054 H20 ALA A 53 17.463 17.554 9.386 1.00 0.05 H HETATM 1055 H21 ALA A 53 17.896 18.753 8.120 1.00 0.05 H HETATM 1056 H18 ALA A 53 15.790 19.782 8.188 1.00 0.03 H HETATM 1057 H19 ALA A 53 15.304 18.117 8.656 1.00 0.03 H HETATM 1058 H16 ALA A 53 14.705 20.206 10.189 1.00 0.03 H HETATM 1059 H17 ALA A 53 15.205 18.638 10.909 1.00 0.03 H HETATM 1060 H15 ALA A 53 16.765 21.237 10.714 1.00 0.08 H HETATM 1061 CB ALA A 53 20.621 17.860 9.844 1.00 -0.01 C HETATM 1062 CG ALA A 53 21.787 18.065 10.768 1.00 -0.03 C HETATM 1063 CD ALA A 53 22.531 19.273 10.217 1.00 0.04 C HETATM 1064 H13 ALA A 53 22.984 19.860 11.029 1.00 0.05 H HETATM 1065 H14 ALA A 53 23.313 18.964 9.508 1.00 0.05 H HETATM 1066 H11 ALA A 53 22.439 17.179 10.768 1.00 0.03 H HETATM 1067 H12 ALA A 53 21.437 18.263 11.792 1.00 0.03 H HETATM 1068 H9 ALA A 53 20.916 17.253 8.975 1.00 0.03 H HETATM 1069 H10 ALA A 53 19.790 17.368 10.370 1.00 0.03 H HETATM 1070 H8 ALA A 53 19.859 19.280 8.367 1.00 0.08 H HETATM 1071 CB ALA A 53 22.786 22.880 10.347 1.00 -0.00 C HETATM 1072 H5 ALA A 53 22.799 22.155 11.174 1.00 0.03 H HETATM 1073 H6 ALA A 53 21.914 23.542 10.453 1.00 0.03 H HETATM 1074 H7 ALA A 53 23.707 23.481 10.371 1.00 0.03 H HETATM 1075 H4 ALA A 53 23.584 21.507 8.965 1.00 0.11 H HETATM 1076 H1 ALA A 53 23.514 23.700 7.941 1.00 0.20 H HETATM 1077 H2 ALA A 53 21.868 23.716 7.982 1.00 0.20 H HETATM 1078 H3 ALA A 53 22.657 22.619 7.043 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 936 937 1076 1077 1078 CONECT 937 936 938 1071 1075 CONECT 938 937 939 940 CONECT 939 938 CONECT 940 938 941 1063 CONECT 941 940 942 1061 1070 CONECT 942 941 943 944 CONECT 943 942 CONECT 944 942 945 1053 CONECT 945 944 946 1051 1060 CONECT 946 945 947 948 CONECT 947 946 CONECT 948 946 949 1043 CONECT 949 948 950 1041 1050 CONECT 950 949 951 952 CONECT 951 950 CONECT 952 950 953 1040 CONECT 953 952 954 1021 1039 CONECT 954 953 955 956 CONECT 955 954 CONECT 956 954 957 1013 CONECT 957 956 958 1011 1020 CONECT 958 957 959 960 CONECT 959 958 CONECT 960 958 961 1003 CONECT 961 960 962 1001 1010 CONECT 962 961 963 964 CONECT 963 962 CONECT 964 962 965 1000 CONECT 965 964 966 983 999 CONECT 966 965 967 968 CONECT 967 966 CONECT 968 966 969 975 CONECT 969 968 970 973 982 CONECT 970 969 971 972 CONECT 971 970 CONECT 972 970 CONECT 973 969 974 980 981 CONECT 974 973 975 978 979 CONECT 975 968 974 976 977 CONECT 976 975 CONECT 977 975 CONECT 978 974 CONECT 979 974 CONECT 980 973 CONECT 981 973 CONECT 982 969 CONECT 983 965 984 997 998 CONECT 984 983 985 995 996 CONECT 985 984 986 993 994 CONECT 986 985 987 991 992 CONECT 987 986 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 986 CONECT 992 986 CONECT 993 985 CONECT 994 985 CONECT 995 984 CONECT 996 984 CONECT 997 983 CONECT 998 983 CONECT 999 965 CONECT 1000 964 CONECT 1001 961 1002 1008 1009 CONECT 1002 1001 1003 1006 1007 CONECT 1003 960 1002 1004 1005 CONECT 1004 1003 CONECT 1005 1003 CONECT 1006 1002 CONECT 1007 1002 CONECT 1008 1001 CONECT 1009 1001 CONECT 1010 961 CONECT 1011 957 1012 1018 1019 CONECT 1012 1011 1013 1016 1017 CONECT 1013 956 1012 1014 1015 CONECT 1014 1013 CONECT 1015 1013 CONECT 1016 1012 CONECT 1017 1012 CONECT 1018 1011 CONECT 1019 1011 CONECT 1020 957 CONECT 1021 953 1022 1037 1038 CONECT 1022 1021 1023 1035 1036 CONECT 1023 1022 1024 1033 1034 CONECT 1024 1023 1025 1032 CONECT 1025 1024 1026 1029 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 CONECT 1029 1025 1030 1031 CONECT 1030 1029 CONECT 1031 1029 CONECT 1032 1024 CONECT 1033 1023 CONECT 1034 1023 CONECT 1035 1022 CONECT 1036 1022 CONECT 1037 1021 CONECT 1038 1021 CONECT 1039 953 CONECT 1040 952 CONECT 1041 949 1042 1048 1049 CONECT 1042 1041 1043 1046 1047 CONECT 1043 948 1042 1044 1045 CONECT 1044 1043 CONECT 1045 1043 CONECT 1046 1042 CONECT 1047 1042 CONECT 1048 1041 CONECT 1049 1041 CONECT 1050 949 CONECT 1051 945 1052 1058 1059 CONECT 1052 1051 1053 1056 1057 CONECT 1053 944 1052 1054 1055 CONECT 1054 1053 CONECT 1055 1053 CONECT 1056 1052 CONECT 1057 1052 CONECT 1058 1051 CONECT 1059 1051 CONECT 1060 945 CONECT 1061 941 1062 1068 1069 CONECT 1062 1061 1063 1066 1067 CONECT 1063 940 1062 1064 1065 CONECT 1064 1063 CONECT 1065 1063 CONECT 1066 1062 CONECT 1067 1062 CONECT 1068 1061 CONECT 1069 1061 CONECT 1070 941 CONECT 1071 937 1072 1073 1074 CONECT 1072 1071 CONECT 1073 1071 CONECT 1074 1071 CONECT 1075 937 CONECT 1076 936 CONECT 1077 936 CONECT 1078 936 MASTER 0 0 0 0 0 0 0 0 1077 1 147 5 END
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Protein Sequence Similarity
1gcq
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PDBbind
61aa, >1GCQ_1|Chains... *
Complexes with the same small molecule ligand
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RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
2w0z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 SH3 DOMAIN
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=93.8uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Structure Vol. 17: pp. 809-822
Ligand Properties
Formula
C
4
5
H
7
6
N
1
3
O
9
Molecular Weight
943.167
Exact Mass
942.589
No. of atoms
143
No. of bonds
148
Polar Surface Area
318.42
LOGP Value
-0.31 (
Computed with XLOGP3
)
-3.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 6
Canonical SMILES
O=C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH3+]
InChI String
InChI=1S/C45H73N13O9/c1-28(47)39(62)56-24-8-16-34(56)44(67)58-26-10-18-36(58)43(66)55-23-7-15-33(55)38(61)52-31(13-4-20-50-45(48)49)41(64)57-25-9-17-35(57)42(65)54-22-6-14-32(54)37(60)51-30(12-2-3-19-46)40(63)53-21-5-11-29(53)27-59/h27-36H,2-26,46-47H2,1H3,(H,51,60)(H,52,61)(H4,48,49,50)/p+3/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UQC2
P62993
Entrez Gene ID
NCBI Entrez Gene ID:
9846
2885
ASD
Information of known allosteric effects of PDB entries
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