Browse entries in the PDBbind-CN Database
HEADER 3POA_COMPLEX COMPND 3POA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 96 THR SER VAL THR LEU GLN LEU ASP ASP GLY SER GLY ARG SEQRES 2 A 96 THR TYR GLN LEU ARG GLU GLY SER ASN ILE ILE GLY ARG SEQRES 3 A 96 GLY GLN ASP ALA GLN PHE ARG LEU PRO ASP THR GLY VAL SEQRES 4 A 96 SER ARG ARG HIS LEU GLU ILE ARG TRP ASP GLY GLN VAL SEQRES 5 A 96 ALA LEU LEU ALA ASP LEU ASN SER THR ASN GLY THR THR SEQRES 6 A 96 VAL ASN ASN ALA PRO VAL GLN GLU TRP GLN LEU ALA ASP SEQRES 7 A 96 GLY ASP VAL ILE ARG LEU GLY HIS SER GLU ILE ILE VAL SEQRES 8 A 96 ARG MET HIS PRO LEU HET ZN A 1 1 HET THR A 332 114 ATOM 1 N THR A 4 21.042 33.679 19.762 1.00 29.06 N ATOM 2 CA THR A 4 20.786 32.220 19.865 1.00 28.48 C ATOM 3 C THR A 4 19.385 32.020 20.429 1.00 28.12 C ATOM 4 O THR A 4 18.970 32.731 21.346 1.00 28.41 O ATOM 5 CB THR A 4 21.846 31.522 20.770 1.00 28.27 C ATOM 6 OG1 THR A 4 23.147 31.638 20.178 1.00 29.39 O ATOM 7 CG2 THR A 4 21.528 30.043 20.981 1.00 27.30 C ATOM 8 HA THR A 4 20.861 31.767 18.876 1.00 0.00 H ATOM 9 HB THR A 4 21.824 32.020 21.739 1.00 0.00 H ATOM 10 HG1 THR A 4 23.813 31.192 20.759 1.00 0.00 H ATOM 11 HG23 THR A 4 20.540 29.946 21.431 1.00 0.00 H ATOM 12 HG21 THR A 4 21.543 29.529 20.020 1.00 0.00 H ATOM 13 HG22 THR A 4 22.275 29.603 21.642 1.00 0.00 H ATOM 14 HN3 THR A 4 20.972 34.110 20.706 1.00 0.00 H ATOM 15 HN2 THR A 4 20.337 34.110 19.130 1.00 0.00 H ATOM 16 HN1 THR A 4 21.996 33.836 19.378 1.00 0.00 H ATOM 17 N SER A 5 18.642 31.067 19.884 1.00 27.39 N ATOM 18 CA SER A 5 17.393 30.706 20.529 1.00 26.64 C ATOM 19 C SER A 5 17.468 29.295 21.098 1.00 24.86 C ATOM 20 O SER A 5 18.108 28.413 20.511 1.00 24.50 O ATOM 21 CB SER A 5 16.196 30.922 19.603 1.00 27.44 C ATOM 22 OG SER A 5 15.994 29.836 18.723 1.00 29.50 O ATOM 23 HA SER A 5 17.235 31.376 21.374 1.00 0.00 H ATOM 24 HB2 SER A 5 16.367 31.823 19.014 1.00 0.00 H ATOM 25 HB3 SER A 5 15.301 31.051 20.212 1.00 0.00 H ATOM 26 HG SER A 5 15.830 29.013 19.248 1.00 0.00 H ATOM 27 H SER A 5 18.948 30.588 19.013 1.00 0.00 H ATOM 28 N VAL A 6 16.858 29.105 22.269 1.00 22.87 N ATOM 29 CA VAL A 6 16.834 27.797 22.922 1.00 20.96 C ATOM 30 C VAL A 6 15.395 27.373 23.196 1.00 20.38 C ATOM 31 O VAL A 6 14.624 28.125 23.799 1.00 19.87 O ATOM 32 CB VAL A 6 17.649 27.757 24.242 1.00 20.89 C ATOM 33 CG1 VAL A 6 17.699 26.323 24.794 1.00 19.92 C ATOM 34 CG2 VAL A 6 19.058 28.290 24.027 1.00 20.76 C ATOM 35 HA VAL A 6 17.309 27.099 22.232 1.00 0.00 H ATOM 36 HB VAL A 6 17.151 28.397 24.970 1.00 0.00 H ATOM 37 HG11 VAL A 6 16.685 25.975 24.990 1.00 0.00 H ATOM 38 HG12 VAL A 6 18.173 25.670 24.062 1.00 0.00 H ATOM 39 HG13 VAL A 6 18.274 26.311 25.720 1.00 0.00 H ATOM 40 HG21 VAL A 6 19.567 27.678 23.282 1.00 0.00 H ATOM 41 HG22 VAL A 6 19.006 29.321 23.678 1.00 0.00 H ATOM 42 HG23 VAL A 6 19.607 28.251 24.968 1.00 0.00 H ATOM 43 H VAL A 6 16.387 29.909 22.730 1.00 0.00 H ATOM 44 N THR A 7 15.050 26.181 22.714 1.00 18.75 N ATOM 45 CA THR A 7 13.747 25.582 22.930 1.00 19.03 C ATOM 46 C THR A 7 13.933 24.191 23.552 1.00 17.55 C ATOM 47 O THR A 7 14.840 23.441 23.166 1.00 17.60 O ATOM 48 CB THR A 7 12.941 25.507 21.598 1.00 19.49 C ATOM 49 OG1 THR A 7 12.699 26.840 21.120 1.00 22.71 O ATOM 50 CG2 THR A 7 11.610 24.845 21.803 1.00 21.50 C ATOM 51 HA THR A 7 13.171 26.203 23.616 1.00 0.00 H ATOM 52 HB THR A 7 13.525 24.927 20.884 1.00 0.00 H ATOM 53 HG1 THR A 7 12.187 26.798 20.274 1.00 0.00 H ATOM 54 HG23 THR A 7 11.763 23.829 22.167 1.00 0.00 H ATOM 55 HG21 THR A 7 11.033 25.411 22.534 1.00 0.00 H ATOM 56 HG22 THR A 7 11.070 24.816 20.856 1.00 0.00 H ATOM 57 H THR A 7 15.750 25.653 22.155 1.00 0.00 H ATOM 58 N LEU A 8 13.107 23.884 24.545 1.00 16.42 N ATOM 59 CA LEU A 8 13.024 22.555 25.124 1.00 15.88 C ATOM 60 C LEU A 8 11.939 21.806 24.374 1.00 16.59 C ATOM 61 O LEU A 8 10.846 22.325 24.160 1.00 17.18 O ATOM 62 CB LEU A 8 12.689 22.631 26.616 1.00 15.46 C ATOM 63 CG LEU A 8 13.621 23.527 27.443 1.00 15.08 C ATOM 64 CD1 LEU A 8 13.270 23.469 28.929 1.00 14.21 C ATOM 65 CD2 LEU A 8 15.089 23.150 27.191 1.00 12.75 C ATOM 66 HA LEU A 8 13.981 22.041 25.035 1.00 0.00 H ATOM 67 HB2 LEU A 8 11.674 23.014 26.716 1.00 0.00 H ATOM 68 HB3 LEU A 8 12.737 21.622 27.026 1.00 0.00 H ATOM 69 HG LEU A 8 13.480 24.559 27.122 1.00 0.00 H ATOM 70 HD21 LEU A 8 15.250 22.110 27.476 1.00 0.00 H ATOM 71 HD22 LEU A 8 15.319 23.278 26.133 1.00 0.00 H ATOM 72 HD23 LEU A 8 15.736 23.795 27.785 1.00 0.00 H ATOM 73 HD11 LEU A 8 12.244 23.808 29.072 1.00 0.00 H ATOM 74 HD12 LEU A 8 13.368 22.443 29.284 1.00 0.00 H ATOM 75 HD13 LEU A 8 13.949 24.114 29.487 1.00 0.00 H ATOM 76 H LEU A 8 12.491 24.630 24.926 1.00 0.00 H ATOM 77 N GLN A 9 12.252 20.599 23.953 1.00 16.68 N ATOM 78 CA GLN A 9 11.301 19.797 23.220 1.00 18.39 C ATOM 79 C GLN A 9 11.004 18.551 24.026 1.00 18.67 C ATOM 80 O GLN A 9 11.868 17.692 24.189 1.00 17.66 O ATOM 81 CB GLN A 9 11.876 19.442 21.857 1.00 18.93 C ATOM 82 CG GLN A 9 10.982 18.562 21.017 1.00 23.32 C ATOM 83 CD GLN A 9 11.430 18.515 19.585 1.00 28.88 C ATOM 84 OE1 GLN A 9 11.212 19.470 18.831 1.00 31.68 O ATOM 85 NE2 GLN A 9 12.052 17.399 19.185 1.00 29.97 N ATOM 86 HA GLN A 9 10.375 20.349 23.061 1.00 0.00 H ATOM 87 HB2 GLN A 9 12.056 20.368 21.310 1.00 0.00 H ATOM 88 HB3 GLN A 9 12.822 18.922 22.010 1.00 0.00 H ATOM 89 HG2 GLN A 9 10.998 17.551 21.425 1.00 0.00 H ATOM 90 HG3 GLN A 9 9.965 18.953 21.056 1.00 0.00 H ATOM 91 HE22 GLN A 9 12.212 16.623 19.859 1.00 0.00 H ATOM 92 HE21 GLN A 9 12.375 17.308 18.201 1.00 0.00 H ATOM 93 H GLN A 9 13.199 20.217 24.151 1.00 0.00 H ATOM 94 N LEU A 10 9.777 18.463 24.530 1.00 19.44 N ATOM 95 CA LEU A 10 9.339 17.297 25.276 1.00 21.16 C ATOM 96 C LEU A 10 9.159 16.116 24.325 1.00 23.01 C ATOM 97 O LEU A 10 8.359 16.170 23.387 1.00 23.49 O ATOM 98 CB LEU A 10 8.041 17.604 26.024 1.00 20.80 C ATOM 99 CG LEU A 10 7.583 16.621 27.098 1.00 21.67 C ATOM 100 CD1 LEU A 10 8.649 16.437 28.173 1.00 20.22 C ATOM 101 CD2 LEU A 10 6.268 17.143 27.719 1.00 21.29 C ATOM 102 HA LEU A 10 10.097 17.034 26.014 1.00 0.00 H ATOM 103 HB2 LEU A 10 8.165 18.575 26.504 1.00 0.00 H ATOM 104 HB3 LEU A 10 7.246 17.667 25.281 1.00 0.00 H ATOM 105 HG LEU A 10 7.415 15.646 26.641 1.00 0.00 H ATOM 106 HD21 LEU A 10 6.441 18.123 28.163 1.00 0.00 H ATOM 107 HD22 LEU A 10 5.508 17.224 26.942 1.00 0.00 H ATOM 108 HD23 LEU A 10 5.930 16.449 28.488 1.00 0.00 H ATOM 109 HD11 LEU A 10 9.561 16.052 27.716 1.00 0.00 H ATOM 110 HD12 LEU A 10 8.855 17.397 28.646 1.00 0.00 H ATOM 111 HD13 LEU A 10 8.290 15.731 28.922 1.00 0.00 H ATOM 112 H LEU A 10 9.113 19.250 24.386 1.00 0.00 H ATOM 113 N ASP A 11 9.909 15.053 24.561 1.00 24.78 N ATOM 114 CA ASP A 11 9.957 13.955 23.608 1.00 27.67 C ATOM 115 C ASP A 11 9.018 12.831 24.038 1.00 29.59 C ATOM 116 O ASP A 11 9.422 11.669 24.140 1.00 30.71 O ATOM 117 CB ASP A 11 11.395 13.457 23.455 1.00 27.68 C ATOM 118 CG ASP A 11 11.569 12.517 22.273 1.00 29.62 C ATOM 119 OD1 ASP A 11 10.841 12.664 21.270 1.00 31.36 O ATOM 120 OD2 ASP A 11 12.442 11.630 22.356 1.00 31.07 O ATOM 121 HA ASP A 11 9.618 14.312 22.636 1.00 0.00 H ATOM 122 HB2 ASP A 11 12.049 14.318 23.315 1.00 0.00 H ATOM 123 HB3 ASP A 11 11.680 12.929 24.365 1.00 0.00 H ATOM 124 H ASP A 11 10.469 15.001 25.436 1.00 0.00 H ATOM 125 N ASP A 12 7.761 13.195 24.286 1.00 31.11 N ATOM 126 CA ASP A 12 6.743 12.259 24.778 1.00 32.95 C ATOM 127 C ASP A 12 5.639 12.012 23.751 1.00 34.12 C ATOM 128 O ASP A 12 4.624 11.388 24.068 1.00 35.65 O ATOM 129 CB ASP A 12 6.113 12.806 26.063 1.00 32.70 C ATOM 130 CG ASP A 12 5.251 14.034 25.811 1.00 34.00 C ATOM 131 OD1 ASP A 12 5.443 14.693 24.766 1.00 34.56 O ATOM 132 OD2 ASP A 12 4.379 14.339 26.652 1.00 36.86 O ATOM 133 HA ASP A 12 7.244 11.310 24.970 1.00 0.00 H ATOM 134 HB2 ASP A 12 5.492 12.028 26.507 1.00 0.00 H ATOM 135 HB3 ASP A 12 6.910 13.074 26.757 1.00 0.00 H ATOM 136 H ASP A 12 7.489 14.186 24.124 1.00 0.00 H ATOM 137 N GLY A 13 5.823 12.516 22.534 1.00 34.23 N ATOM 138 CA GLY A 13 4.787 12.435 21.508 1.00 34.94 C ATOM 139 C GLY A 13 3.861 13.645 21.426 1.00 34.46 C ATOM 140 O GLY A 13 3.247 13.879 20.385 1.00 35.98 O ATOM 141 HA3 GLY A 13 4.177 11.556 21.713 1.00 0.00 H ATOM 142 HA2 GLY A 13 5.277 12.318 20.541 1.00 0.00 H ATOM 143 H GLY A 13 6.726 12.979 22.308 1.00 0.00 H ATOM 144 N SER A 14 3.765 14.412 22.513 1.00 32.81 N ATOM 145 CA SER A 14 2.844 15.556 22.596 1.00 31.91 C ATOM 146 C SER A 14 3.184 16.728 21.671 1.00 30.69 C ATOM 147 O SER A 14 2.316 17.533 21.353 1.00 31.45 O ATOM 148 CB SER A 14 2.775 16.070 24.031 1.00 31.42 C ATOM 149 OG SER A 14 4.000 16.700 24.381 1.00 30.52 O ATOM 150 HA SER A 14 1.882 15.167 22.261 1.00 0.00 H ATOM 151 HB2 SER A 14 2.593 15.234 24.706 1.00 0.00 H ATOM 152 HB3 SER A 14 1.961 16.789 24.118 1.00 0.00 H ATOM 153 HG SER A 14 4.740 16.047 24.304 1.00 0.00 H ATOM 154 H SER A 14 4.365 14.193 23.334 1.00 0.00 H ATOM 155 N GLY A 15 4.444 16.844 21.264 1.00 28.88 N ATOM 156 CA GLY A 15 4.881 18.004 20.483 1.00 26.67 C ATOM 157 C GLY A 15 4.998 19.277 21.320 1.00 24.79 C ATOM 158 O GLY A 15 5.236 20.356 20.787 1.00 24.66 O ATOM 159 HA3 GLY A 15 4.159 18.178 19.685 1.00 0.00 H ATOM 160 HA2 GLY A 15 5.856 17.783 20.048 1.00 0.00 H ATOM 161 H GLY A 15 5.130 16.100 21.504 1.00 0.00 H ATOM 162 N ARG A 16 4.841 19.153 22.633 1.00 23.03 N ATOM 163 CA ARG A 16 4.973 20.297 23.539 1.00 21.72 C ATOM 164 C ARG A 16 6.398 20.804 23.528 1.00 20.45 C ATOM 165 O ARG A 16 7.347 20.019 23.558 1.00 19.43 O ATOM 166 CB ARG A 16 4.569 19.926 24.969 1.00 21.02 C ATOM 167 CG ARG A 16 3.069 19.675 25.149 1.00 22.14 C ATOM 168 CD ARG A 16 2.783 19.297 26.597 1.00 19.74 C ATOM 169 NE ARG A 16 3.029 20.449 27.458 1.00 19.23 N ATOM 170 CZ ARG A 16 3.525 20.402 28.689 1.00 15.97 C ATOM 171 NH1 ARG A 16 3.823 19.241 29.263 1.00 13.56 N ATOM 172 NH2 ARG A 16 3.699 21.535 29.353 1.00 16.49 N ATOM 173 HA ARG A 16 4.302 21.081 23.188 1.00 0.00 H ATOM 174 HB2 ARG A 16 5.105 19.020 25.252 1.00 0.00 H ATOM 175 HB3 ARG A 16 4.862 20.741 25.630 1.00 0.00 H ATOM 176 HG2 ARG A 16 2.517 20.579 24.894 1.00 0.00 H ATOM 177 HG3 ARG A 16 2.756 18.863 24.493 1.00 0.00 H ATOM 178 HD2 ARG A 16 3.435 18.475 26.894 1.00 0.00 H ATOM 179 HD3 ARG A 16 1.743 18.987 26.693 1.00 0.00 H ATOM 180 HE ARG A 16 2.796 21.387 27.075 1.00 0.00 H ATOM 181 HH12 ARG A 16 4.211 19.222 30.228 1.00 0.00 H ATOM 182 HH11 ARG A 16 3.669 18.351 28.747 1.00 0.00 H ATOM 183 HH22 ARG A 16 4.086 21.518 30.318 1.00 0.00 H ATOM 184 HH21 ARG A 16 3.448 22.442 28.909 1.00 0.00 H ATOM 185 H ARG A 16 4.618 18.218 23.029 1.00 0.00 H ATOM 186 N THR A 17 6.533 22.122 23.464 1.00 20.31 N ATOM 187 CA THR A 17 7.824 22.783 23.472 1.00 19.84 C ATOM 188 C THR A 17 7.769 23.976 24.415 1.00 19.60 C ATOM 189 O THR A 17 6.679 24.491 24.728 1.00 19.46 O ATOM 190 CB THR A 17 8.230 23.294 22.055 1.00 20.61 C ATOM 191 OG1 THR A 17 7.247 24.223 21.575 1.00 23.28 O ATOM 192 CG2 THR A 17 8.383 22.135 21.048 1.00 20.57 C ATOM 193 HA THR A 17 8.565 22.053 23.799 1.00 0.00 H ATOM 194 HB THR A 17 9.198 23.787 22.145 1.00 0.00 H ATOM 195 HG1 THR A 17 7.509 24.544 20.676 1.00 0.00 H ATOM 196 HG23 THR A 17 9.130 21.432 21.416 1.00 0.00 H ATOM 197 HG21 THR A 17 7.426 21.625 20.935 1.00 0.00 H ATOM 198 HG22 THR A 17 8.700 22.533 20.084 1.00 0.00 H ATOM 199 H THR A 17 5.675 22.707 23.406 1.00 0.00 H ATOM 200 N TYR A 18 8.942 24.421 24.851 1.00 17.96 N ATOM 201 CA TYR A 18 9.060 25.616 25.673 1.00 18.15 C ATOM 202 C TYR A 18 10.302 26.389 25.238 1.00 18.17 C ATOM 203 O TYR A 18 11.392 25.828 25.212 1.00 17.25 O ATOM 204 CB TYR A 18 9.157 25.257 27.162 1.00 17.45 C ATOM 205 CG TYR A 18 9.499 26.444 28.045 1.00 17.87 C ATOM 206 CD1 TYR A 18 8.565 27.451 28.286 1.00 19.49 C ATOM 207 CD2 TYR A 18 10.762 26.569 28.610 1.00 17.67 C ATOM 208 CE1 TYR A 18 8.874 28.544 29.089 1.00 19.90 C ATOM 209 CE2 TYR A 18 11.083 27.651 29.398 1.00 18.86 C ATOM 210 CZ TYR A 18 10.141 28.634 29.630 1.00 18.48 C ATOM 211 OH TYR A 18 10.475 29.692 30.417 1.00 18.35 O ATOM 212 HA TYR A 18 8.169 26.230 25.538 1.00 0.00 H ATOM 213 HB3 TYR A 18 9.931 24.499 27.286 1.00 0.00 H ATOM 214 HB2 TYR A 18 8.198 24.851 27.484 1.00 0.00 H ATOM 215 HD2 TYR A 18 11.510 25.798 28.426 1.00 0.00 H ATOM 216 HE2 TYR A 18 12.077 27.732 29.837 1.00 0.00 H ATOM 217 HE1 TYR A 18 8.130 29.315 29.287 1.00 0.00 H ATOM 218 HD1 TYR A 18 7.574 27.380 27.837 1.00 0.00 H ATOM 219 HH TYR A 18 11.242 30.171 30.015 1.00 0.00 H ATOM 220 H TYR A 18 9.804 23.898 24.597 1.00 0.00 H ATOM 221 N GLN A 19 10.135 27.657 24.874 1.00 18.84 N ATOM 222 CA GLN A 19 11.290 28.498 24.551 1.00 20.13 C ATOM 223 C GLN A 19 11.810 29.165 25.816 1.00 19.68 C ATOM 224 O GLN A 19 11.038 29.778 26.554 1.00 19.75 O ATOM 225 CB GLN A 19 10.936 29.561 23.505 1.00 21.65 C ATOM 226 CG GLN A 19 12.119 30.483 23.146 1.00 24.19 C ATOM 227 CD GLN A 19 11.820 31.411 21.983 1.00 30.23 C ATOM 228 OE1 GLN A 19 11.031 31.080 21.089 1.00 32.94 O ATOM 229 NE2 GLN A 19 12.475 32.574 21.971 1.00 32.79 N ATOM 230 HA GLN A 19 12.066 27.860 24.128 1.00 0.00 H ATOM 231 HB2 GLN A 19 10.603 29.057 22.598 1.00 0.00 H ATOM 232 HB3 GLN A 19 10.125 30.175 23.896 1.00 0.00 H ATOM 233 HG2 GLN A 19 12.365 31.088 24.019 1.00 0.00 H ATOM 234 HG3 GLN A 19 12.976 29.862 22.883 1.00 0.00 H ATOM 235 HE22 GLN A 19 13.129 32.810 22.744 1.00 0.00 H ATOM 236 HE21 GLN A 19 12.331 33.244 21.188 1.00 0.00 H ATOM 237 H GLN A 19 9.176 28.055 24.818 1.00 0.00 H ATOM 238 N LEU A 20 13.112 29.050 26.058 1.00 19.09 N ATOM 239 CA LEU A 20 13.725 29.633 27.259 1.00 19.44 C ATOM 240 C LEU A 20 13.670 31.154 27.245 1.00 20.20 C ATOM 241 O LEU A 20 13.878 31.776 26.205 1.00 20.15 O ATOM 242 CB LEU A 20 15.185 29.205 27.396 1.00 19.31 C ATOM 243 CG LEU A 20 15.566 27.757 27.670 1.00 19.04 C ATOM 244 CD1 LEU A 20 17.040 27.731 28.035 1.00 19.54 C ATOM 245 CD2 LEU A 20 14.755 27.148 28.787 1.00 17.25 C ATOM 246 HA LEU A 20 13.148 29.263 28.106 1.00 0.00 H ATOM 247 HB2 LEU A 20 15.676 29.481 26.463 1.00 0.00 H ATOM 248 HB3 LEU A 20 15.603 29.793 28.213 1.00 0.00 H ATOM 249 HG LEU A 20 15.362 27.166 26.777 1.00 0.00 H ATOM 250 HD21 LEU A 20 14.915 27.717 29.703 1.00 0.00 H ATOM 251 HD22 LEU A 20 13.698 27.173 28.522 1.00 0.00 H ATOM 252 HD23 LEU A 20 15.068 26.115 28.940 1.00 0.00 H ATOM 253 HD11 LEU A 20 17.625 28.128 27.206 1.00 0.00 H ATOM 254 HD12 LEU A 20 17.204 28.342 28.923 1.00 0.00 H ATOM 255 HD13 LEU A 20 17.345 26.704 28.238 1.00 0.00 H ATOM 256 H LEU A 20 13.711 28.535 25.381 1.00 0.00 H ATOM 257 N ARG A 21 13.384 31.730 28.409 1.00 20.57 N ATOM 258 CA ARG A 21 13.501 33.166 28.642 1.00 21.80 C ATOM 259 C ARG A 21 14.856 33.407 29.258 1.00 21.01 C ATOM 260 O ARG A 21 15.419 32.501 29.881 1.00 19.63 O ATOM 261 CB ARG A 21 12.454 33.630 29.658 1.00 22.55 C ATOM 262 CG ARG A 21 11.033 33.382 29.255 1.00 27.48 C ATOM 263 CD ARG A 21 10.103 33.757 30.414 1.00 35.45 C ATOM 264 NE ARG A 21 8.699 33.428 30.151 1.00 40.40 N ATOM 265 CZ ARG A 21 8.168 32.220 30.325 1.00 41.29 C ATOM 266 NH1 ARG A 21 8.921 31.228 30.761 1.00 41.41 N ATOM 267 NH2 ARG A 21 6.883 32.005 30.065 1.00 43.12 N ATOM 268 HA ARG A 21 13.363 33.702 27.703 1.00 0.00 H ATOM 269 HB2 ARG A 21 12.637 33.106 30.596 1.00 0.00 H ATOM 270 HB3 ARG A 21 12.581 34.702 29.811 1.00 0.00 H ATOM 271 HG2 ARG A 21 10.791 33.989 28.383 1.00 0.00 H ATOM 272 HG3 ARG A 21 10.903 32.328 29.010 1.00 0.00 H ATOM 273 HD2 ARG A 21 10.182 34.830 30.590 1.00 0.00 H ATOM 274 HD3 ARG A 21 10.425 33.219 31.306 1.00 0.00 H ATOM 275 HE ARG A 21 8.078 34.187 29.806 1.00 0.00 H ATOM 276 HH12 ARG A 21 8.508 30.283 30.898 1.00 0.00 H ATOM 277 HH11 ARG A 21 9.927 31.391 30.968 1.00 0.00 H ATOM 278 HH22 ARG A 21 6.476 31.058 30.204 1.00 0.00 H ATOM 279 HH21 ARG A 21 6.284 32.784 29.723 1.00 0.00 H ATOM 280 H ARG A 21 13.061 31.127 29.192 1.00 0.00 H ATOM 281 N GLU A 22 15.378 34.624 29.114 1.00 21.39 N ATOM 282 CA GLU A 22 16.601 34.979 29.826 1.00 22.25 C ATOM 283 C GLU A 22 16.322 35.028 31.325 1.00 22.19 C ATOM 284 O GLU A 22 15.206 35.327 31.751 1.00 22.42 O ATOM 285 CB GLU A 22 17.217 36.280 29.305 1.00 23.70 C ATOM 286 CG GLU A 22 17.733 36.137 27.882 1.00 25.07 C ATOM 287 CD GLU A 22 18.562 37.314 27.430 1.00 29.36 C ATOM 288 OE1 GLU A 22 19.562 37.645 28.098 1.00 29.17 O ATOM 289 OE2 GLU A 22 18.222 37.900 26.382 1.00 32.96 O ATOM 290 HA GLU A 22 17.348 34.208 29.640 1.00 0.00 H ATOM 291 HB2 GLU A 22 16.458 37.062 29.327 1.00 0.00 H ATOM 292 HB3 GLU A 22 18.047 36.561 29.954 1.00 0.00 H ATOM 293 HG2 GLU A 22 18.347 35.238 27.824 1.00 0.00 H ATOM 294 HG3 GLU A 22 16.879 36.036 27.212 1.00 0.00 H ATOM 295 H GLU A 22 14.915 35.320 28.495 1.00 0.00 H ATOM 296 N GLY A 23 17.328 34.670 32.113 1.00 22.03 N ATOM 297 CA GLY A 23 17.137 34.443 33.539 1.00 21.93 C ATOM 298 C GLY A 23 16.752 33.001 33.837 1.00 21.08 C ATOM 299 O GLY A 23 17.160 32.067 33.126 1.00 19.72 O ATOM 300 HA3 GLY A 23 16.346 35.101 33.898 1.00 0.00 H ATOM 301 HA2 GLY A 23 18.065 34.675 34.061 1.00 0.00 H ATOM 302 H GLY A 23 18.276 34.549 31.702 1.00 0.00 H ATOM 303 N SER A 24 15.946 32.838 34.883 1.00 20.79 N ATOM 304 CA SER A 24 15.591 31.536 35.439 1.00 19.88 C ATOM 305 C SER A 24 14.428 30.875 34.716 1.00 18.89 C ATOM 306 O SER A 24 13.381 31.486 34.517 1.00 19.05 O ATOM 307 CB SER A 24 15.232 31.696 36.917 1.00 20.84 C ATOM 308 OG SER A 24 15.086 30.436 37.545 1.00 21.10 O ATOM 309 HA SER A 24 16.460 30.890 35.313 1.00 0.00 H ATOM 310 HB2 SER A 24 14.294 32.246 36.998 1.00 0.00 H ATOM 311 HB3 SER A 24 16.023 32.254 37.418 1.00 0.00 H ATOM 312 HG SER A 24 15.937 29.934 37.478 1.00 0.00 H ATOM 313 H SER A 24 15.546 33.687 35.330 1.00 0.00 H ATOM 314 N ASN A 25 14.599 29.609 34.355 1.00 17.08 N ATOM 315 CA ASN A 25 13.501 28.833 33.793 1.00 16.50 C ATOM 316 C ASN A 25 13.302 27.591 34.657 1.00 15.77 C ATOM 317 O ASN A 25 14.179 26.738 34.718 1.00 15.57 O ATOM 318 CB ASN A 25 13.795 28.434 32.337 1.00 15.83 C ATOM 319 CG ASN A 25 13.995 29.641 31.415 1.00 15.85 C ATOM 320 OD1 ASN A 25 13.078 30.056 30.700 1.00 14.43 O ATOM 321 ND2 ASN A 25 15.200 30.186 31.412 1.00 13.24 N ATOM 322 HA ASN A 25 12.593 29.436 33.787 1.00 0.00 H ATOM 323 HB2 ASN A 25 14.701 27.828 32.319 1.00 0.00 H ATOM 324 HB3 ASN A 25 12.958 27.845 31.962 1.00 0.00 H ATOM 325 HD22 ASN A 25 15.944 29.805 32.030 1.00 0.00 H ATOM 326 HD21 ASN A 25 15.403 30.995 30.791 1.00 0.00 H ATOM 327 H ASN A 25 15.531 29.164 34.475 1.00 0.00 H ATOM 328 N ILE A 26 12.173 27.503 35.348 1.00 15.33 N ATOM 329 CA ILE A 26 11.915 26.348 36.212 1.00 14.97 C ATOM 330 C ILE A 26 11.112 25.268 35.470 1.00 14.05 C ATOM 331 O ILE A 26 10.046 25.533 34.917 1.00 14.16 O ATOM 332 CB ILE A 26 11.167 26.750 37.525 1.00 16.01 C ATOM 333 CG1 ILE A 26 11.898 27.872 38.292 1.00 17.92 C ATOM 334 CG2 ILE A 26 10.867 25.504 38.411 1.00 14.87 C ATOM 335 CD1 ILE A 26 13.269 27.491 38.899 1.00 18.52 C ATOM 336 HA ILE A 26 12.889 25.943 36.487 1.00 0.00 H ATOM 337 HB ILE A 26 10.202 27.169 37.238 1.00 0.00 H ATOM 338 HG12 ILE A 26 12.056 28.701 37.602 1.00 0.00 H ATOM 339 HG13 ILE A 26 11.250 28.197 39.106 1.00 0.00 H ATOM 340 HD11 ILE A 26 13.137 26.673 39.608 1.00 0.00 H ATOM 341 HD12 ILE A 26 13.943 27.177 38.102 1.00 0.00 H ATOM 342 HD13 ILE A 26 13.690 28.355 39.413 1.00 0.00 H ATOM 343 HG21 ILE A 26 10.241 24.806 37.855 1.00 0.00 H ATOM 344 HG22 ILE A 26 11.804 25.017 38.681 1.00 0.00 H ATOM 345 HG23 ILE A 26 10.347 25.820 39.315 1.00 0.00 H ATOM 346 H ILE A 26 11.464 28.261 35.276 1.00 0.00 H ATOM 347 N ILE A 27 11.626 24.046 35.470 1.00 13.57 N ATOM 348 CA ILE A 27 10.923 22.916 34.855 1.00 13.39 C ATOM 349 C ILE A 27 10.543 22.001 36.009 1.00 13.50 C ATOM 350 O ILE A 27 11.369 21.737 36.907 1.00 13.76 O ATOM 351 CB ILE A 27 11.819 22.163 33.816 1.00 13.30 C ATOM 352 CG1 ILE A 27 12.114 23.048 32.600 1.00 14.44 C ATOM 353 CG2 ILE A 27 11.145 20.881 33.295 1.00 12.96 C ATOM 354 CD1 ILE A 27 13.166 24.112 32.833 1.00 17.18 C ATOM 355 HA ILE A 27 10.051 23.255 34.296 1.00 0.00 H ATOM 356 HB ILE A 27 12.739 21.909 34.342 1.00 0.00 H ATOM 357 HG12 ILE A 27 12.454 22.406 31.787 1.00 0.00 H ATOM 358 HG13 ILE A 27 11.188 23.544 32.308 1.00 0.00 H ATOM 359 HD11 ILE A 27 12.839 24.775 33.634 1.00 0.00 H ATOM 360 HD12 ILE A 27 14.106 23.637 33.113 1.00 0.00 H ATOM 361 HD13 ILE A 27 13.307 24.688 31.918 1.00 0.00 H ATOM 362 HG21 ILE A 27 10.953 20.208 34.130 1.00 0.00 H ATOM 363 HG22 ILE A 27 10.203 21.138 32.810 1.00 0.00 H ATOM 364 HG23 ILE A 27 11.803 20.392 32.577 1.00 0.00 H ATOM 365 H ILE A 27 12.551 23.885 35.917 1.00 0.00 H ATOM 366 N GLY A 28 9.303 21.529 36.002 1.00 13.78 N ATOM 367 CA GLY A 28 8.799 20.699 37.095 1.00 14.41 C ATOM 368 C GLY A 28 7.314 20.445 36.987 1.00 15.53 C ATOM 369 O GLY A 28 6.657 20.886 36.027 1.00 15.78 O ATOM 370 HA3 GLY A 28 9.000 21.204 38.040 1.00 0.00 H ATOM 371 HA2 GLY A 28 9.320 19.742 37.077 1.00 0.00 H ATOM 372 H GLY A 28 8.677 21.754 35.203 1.00 0.00 H ATOM 373 N ARG A 29 6.778 19.747 37.981 1.00 16.03 N ATOM 374 CA ARG A 29 5.364 19.348 37.991 1.00 16.95 C ATOM 375 C ARG A 29 4.505 20.425 38.660 1.00 17.73 C ATOM 376 O ARG A 29 3.300 20.475 38.453 1.00 17.51 O ATOM 377 CB ARG A 29 5.220 17.990 38.692 1.00 17.14 C ATOM 378 CG ARG A 29 3.822 17.346 38.652 1.00 17.85 C ATOM 379 CD ARG A 29 3.921 15.849 38.934 1.00 17.79 C ATOM 380 NE ARG A 29 4.843 15.618 40.042 1.00 16.51 N ATOM 381 CZ ARG A 29 4.492 15.650 41.325 1.00 15.74 C ATOM 382 NH1 ARG A 29 3.228 15.839 41.665 1.00 14.71 N ATOM 383 NH2 ARG A 29 5.411 15.466 42.264 1.00 16.74 N ATOM 384 HA ARG A 29 5.008 19.244 36.966 1.00 0.00 H ATOM 385 HB2 ARG A 29 5.918 17.298 38.222 1.00 0.00 H ATOM 386 HB3 ARG A 29 5.494 18.125 39.738 1.00 0.00 H ATOM 387 HG2 ARG A 29 3.189 17.813 39.406 1.00 0.00 H ATOM 388 HG3 ARG A 29 3.383 17.498 37.666 1.00 0.00 H ATOM 389 HD2 ARG A 29 4.287 15.336 38.045 1.00 0.00 H ATOM 390 HD3 ARG A 29 2.936 15.463 39.195 1.00 0.00 H ATOM 391 HE ARG A 29 5.837 15.416 39.814 1.00 0.00 H ATOM 392 HH12 ARG A 29 2.958 15.863 42.669 1.00 0.00 H ATOM 393 HH11 ARG A 29 2.504 15.963 40.928 1.00 0.00 H ATOM 394 HH22 ARG A 29 5.141 15.490 43.268 1.00 0.00 H ATOM 395 HH21 ARG A 29 6.402 15.297 41.996 1.00 0.00 H ATOM 396 H ARG A 29 7.381 19.472 38.782 1.00 0.00 H ATOM 397 N GLY A 30 5.146 21.311 39.421 1.00 18.44 N ATOM 398 CA GLY A 30 4.448 22.382 40.146 1.00 20.51 C ATOM 399 C GLY A 30 3.781 23.420 39.250 1.00 21.76 C ATOM 400 O GLY A 30 4.226 23.662 38.137 1.00 20.51 O ATOM 401 HA3 GLY A 30 5.173 22.894 40.779 1.00 0.00 H ATOM 402 HA2 GLY A 30 3.680 21.926 40.770 1.00 0.00 H ATOM 403 H GLY A 30 6.180 21.242 39.505 1.00 0.00 H ATOM 404 N GLN A 31 2.709 24.030 39.753 1.00 23.74 N ATOM 405 CA GLN A 31 1.948 25.057 39.021 1.00 25.87 C ATOM 406 C GLN A 31 2.771 26.299 38.663 1.00 26.04 C ATOM 407 O GLN A 31 2.488 26.971 37.669 1.00 26.41 O ATOM 408 CB GLN A 31 0.704 25.476 39.826 1.00 27.37 C ATOM 409 CG GLN A 31 1.019 26.080 41.212 1.00 31.03 C ATOM 410 CD GLN A 31 -0.223 26.366 42.063 1.00 35.80 C ATOM 411 OE1 GLN A 31 -1.110 25.516 42.207 1.00 37.70 O ATOM 412 NE2 GLN A 31 -0.274 27.563 42.647 1.00 36.85 N ATOM 413 HA GLN A 31 1.653 24.595 38.079 1.00 0.00 H ATOM 414 HB2 GLN A 31 0.156 26.218 39.246 1.00 0.00 H ATOM 415 HB3 GLN A 31 0.078 24.595 39.971 1.00 0.00 H ATOM 416 HG2 GLN A 31 1.654 25.380 41.755 1.00 0.00 H ATOM 417 HG3 GLN A 31 1.557 27.016 41.064 1.00 0.00 H ATOM 418 HE22 GLN A 31 0.495 28.247 42.498 1.00 0.00 H ATOM 419 HE21 GLN A 31 -1.083 27.813 43.252 1.00 0.00 H ATOM 420 H GLN A 31 2.394 23.768 40.709 1.00 0.00 H ATOM 421 N ASP A 32 3.784 26.591 39.474 1.00 26.26 N ATOM 422 CA ASP A 32 4.621 27.773 39.281 1.00 27.20 C ATOM 423 C ASP A 32 5.751 27.556 38.258 1.00 25.56 C ATOM 424 O ASP A 32 6.415 28.515 37.863 1.00 26.25 O ATOM 425 CB ASP A 32 5.198 28.258 40.622 1.00 28.16 C ATOM 426 CG ASP A 32 4.116 28.663 41.624 1.00 32.26 C ATOM 427 OD1 ASP A 32 3.032 29.147 41.207 1.00 35.81 O ATOM 428 OD2 ASP A 32 4.357 28.501 42.846 1.00 36.49 O ATOM 429 HA ASP A 32 3.970 28.544 38.869 1.00 0.00 H ATOM 430 HB2 ASP A 32 5.792 27.454 41.057 1.00 0.00 H ATOM 431 HB3 ASP A 32 5.838 29.120 40.434 1.00 0.00 H ATOM 432 H ASP A 32 3.987 25.956 40.273 1.00 0.00 H ATOM 433 N ALA A 33 5.967 26.312 37.827 1.00 23.95 N ATOM 434 CA ALA A 33 7.010 26.015 36.829 1.00 21.43 C ATOM 435 C ALA A 33 6.720 26.726 35.501 1.00 20.67 C ATOM 436 O ALA A 33 5.565 26.886 35.125 1.00 20.44 O ATOM 437 CB ALA A 33 7.125 24.505 36.611 1.00 20.95 C ATOM 438 HA ALA A 33 7.960 26.387 37.212 1.00 0.00 H ATOM 439 HB1 ALA A 33 7.386 24.022 37.553 1.00 0.00 H ATOM 440 HB2 ALA A 33 6.171 24.117 36.254 1.00 0.00 H ATOM 441 HB3 ALA A 33 7.900 24.304 35.871 1.00 0.00 H ATOM 442 H ALA A 33 5.387 25.535 38.203 1.00 0.00 H ATOM 443 N GLN A 34 7.770 27.153 34.803 1.00 19.53 N ATOM 444 CA GLN A 34 7.622 27.739 33.464 1.00 19.45 C ATOM 445 C GLN A 34 7.248 26.671 32.437 1.00 18.71 C ATOM 446 O GLN A 34 6.598 26.960 31.433 1.00 19.20 O ATOM 447 CB GLN A 34 8.898 28.472 33.026 1.00 18.64 C ATOM 448 CG GLN A 34 9.023 29.904 33.584 1.00 20.85 C ATOM 449 CD GLN A 34 9.225 29.928 35.081 1.00 20.00 C ATOM 450 OE1 GLN A 34 10.254 29.500 35.586 1.00 18.18 O ATOM 451 NE2 GLN A 34 8.232 30.432 35.802 1.00 24.00 N ATOM 452 HA GLN A 34 6.814 28.469 33.518 1.00 0.00 H ATOM 453 HB2 GLN A 34 9.758 27.895 33.366 1.00 0.00 H ATOM 454 HB3 GLN A 34 8.906 28.526 31.937 1.00 0.00 H ATOM 455 HG2 GLN A 34 9.874 30.391 33.109 1.00 0.00 H ATOM 456 HG3 GLN A 34 8.112 30.453 33.345 1.00 0.00 H ATOM 457 HE22 GLN A 34 7.374 30.785 35.331 1.00 0.00 H ATOM 458 HE21 GLN A 34 8.311 30.474 36.838 1.00 0.00 H ATOM 459 H GLN A 34 8.721 27.070 35.217 1.00 0.00 H ATOM 460 N PHE A 35 7.682 25.442 32.677 1.00 17.88 N ATOM 461 CA PHE A 35 7.365 24.330 31.780 1.00 17.33 C ATOM 462 C PHE A 35 6.912 23.205 32.684 1.00 17.44 C ATOM 463 O PHE A 35 7.704 22.660 33.468 1.00 15.76 O ATOM 464 CB PHE A 35 8.604 23.937 30.952 1.00 17.10 C ATOM 465 CG PHE A 35 8.319 23.012 29.771 1.00 17.84 C ATOM 466 CD1 PHE A 35 7.097 23.049 29.091 1.00 19.96 C ATOM 467 CD2 PHE A 35 9.306 22.143 29.316 1.00 18.99 C ATOM 468 CE1 PHE A 35 6.848 22.202 27.999 1.00 20.50 C ATOM 469 CE2 PHE A 35 9.081 21.295 28.209 1.00 20.54 C ATOM 470 CZ PHE A 35 7.839 21.327 27.555 1.00 20.58 C ATOM 471 HA PHE A 35 6.591 24.587 31.057 1.00 0.00 H ATOM 472 HB2 PHE A 35 9.058 24.850 30.566 1.00 0.00 H ATOM 473 HB3 PHE A 35 9.309 23.434 31.614 1.00 0.00 H ATOM 474 HD2 PHE A 35 10.270 22.116 29.823 1.00 0.00 H ATOM 475 HE2 PHE A 35 9.866 20.621 27.865 1.00 0.00 H ATOM 476 HZ PHE A 35 7.650 20.671 26.705 1.00 0.00 H ATOM 477 HE1 PHE A 35 5.880 22.228 27.498 1.00 0.00 H ATOM 478 HD1 PHE A 35 6.325 23.747 29.414 1.00 0.00 H ATOM 479 H PHE A 35 8.261 25.264 33.522 1.00 0.00 H ATOM 480 N ARG A 36 5.624 22.881 32.596 1.00 17.82 N ATOM 481 CA ARG A 36 5.017 21.943 33.514 1.00 18.65 C ATOM 482 C ARG A 36 4.916 20.552 32.908 1.00 18.52 C ATOM 483 O ARG A 36 4.368 20.378 31.817 1.00 18.09 O ATOM 484 CB ARG A 36 3.650 22.455 33.962 1.00 20.03 C ATOM 485 CG ARG A 36 3.785 23.754 34.747 1.00 23.06 C ATOM 486 CD ARG A 36 2.494 24.516 34.949 1.00 27.80 C ATOM 487 NE ARG A 36 1.839 24.902 33.703 1.00 30.76 N ATOM 488 CZ ARG A 36 2.163 25.953 32.948 1.00 32.74 C ATOM 489 NH1 ARG A 36 3.176 26.760 33.278 1.00 32.07 N ATOM 490 NH2 ARG A 36 1.462 26.190 31.840 1.00 33.05 N ATOM 491 HA ARG A 36 5.659 21.861 34.391 1.00 0.00 H ATOM 492 HB2 ARG A 36 3.030 22.632 33.083 1.00 0.00 H ATOM 493 HB3 ARG A 36 3.177 21.703 34.594 1.00 0.00 H ATOM 494 HG2 ARG A 36 4.194 23.515 35.729 1.00 0.00 H ATOM 495 HG3 ARG A 36 4.480 24.402 34.213 1.00 0.00 H ATOM 496 HD2 ARG A 36 2.713 25.420 35.517 1.00 0.00 H ATOM 497 HD3 ARG A 36 1.809 23.888 35.518 1.00 0.00 H ATOM 498 HE ARG A 36 1.052 24.306 33.376 1.00 0.00 H ATOM 499 HH12 ARG A 36 3.411 27.574 32.674 1.00 0.00 H ATOM 500 HH11 ARG A 36 3.730 26.574 34.139 1.00 0.00 H ATOM 501 HH22 ARG A 36 1.700 27.005 31.239 1.00 0.00 H ATOM 502 HH21 ARG A 36 0.677 25.560 31.577 1.00 0.00 H ATOM 503 H ARG A 36 5.041 23.312 31.850 1.00 0.00 H ATOM 504 N LEU A 37 5.476 19.578 33.625 1.00 17.98 N ATOM 505 CA LEU A 37 5.373 18.173 33.267 1.00 18.36 C ATOM 506 C LEU A 37 4.531 17.461 34.330 1.00 18.94 C ATOM 507 O LEU A 37 4.901 17.498 35.499 1.00 19.34 O ATOM 508 CB LEU A 37 6.761 17.528 33.224 1.00 17.48 C ATOM 509 CG LEU A 37 7.972 18.143 32.512 1.00 17.62 C ATOM 510 CD1 LEU A 37 9.044 17.062 32.325 1.00 18.44 C ATOM 511 CD2 LEU A 37 7.624 18.788 31.181 1.00 17.49 C ATOM 512 HA LEU A 37 4.912 18.086 32.283 1.00 0.00 H ATOM 513 HB2 LEU A 37 7.062 17.404 34.264 1.00 0.00 H ATOM 514 HB3 LEU A 37 6.617 16.548 32.769 1.00 0.00 H ATOM 515 HG LEU A 37 8.350 18.948 33.142 1.00 0.00 H ATOM 516 HD21 LEU A 37 7.198 18.037 30.515 1.00 0.00 H ATOM 517 HD22 LEU A 37 6.899 19.585 31.344 1.00 0.00 H ATOM 518 HD23 LEU A 37 8.527 19.202 30.732 1.00 0.00 H ATOM 519 HD11 LEU A 37 9.346 16.679 33.300 1.00 0.00 H ATOM 520 HD12 LEU A 37 8.637 16.249 31.724 1.00 0.00 H ATOM 521 HD13 LEU A 37 9.908 17.493 31.819 1.00 0.00 H ATOM 522 H LEU A 37 6.011 19.835 34.479 1.00 0.00 H ATOM 523 N PRO A 38 3.418 16.803 33.935 1.00 19.03 N ATOM 524 CA PRO A 38 2.598 16.067 34.912 1.00 19.78 C ATOM 525 C PRO A 38 3.190 14.731 35.389 1.00 19.66 C ATOM 526 O PRO A 38 2.696 14.147 36.350 1.00 20.76 O ATOM 527 CB PRO A 38 1.270 15.854 34.167 1.00 20.49 C ATOM 528 CG PRO A 38 1.641 15.890 32.730 1.00 20.76 C ATOM 529 CD PRO A 38 2.759 16.879 32.618 1.00 19.57 C ATOM 530 HA PRO A 38 2.511 16.630 35.841 1.00 0.00 H ATOM 531 HD3 PRO A 38 3.448 16.600 31.820 1.00 0.00 H ATOM 532 HD2 PRO A 38 2.375 17.882 32.431 1.00 0.00 H ATOM 533 HG3 PRO A 38 0.791 16.209 32.127 1.00 0.00 H ATOM 534 HG2 PRO A 38 1.971 14.905 32.399 1.00 0.00 H ATOM 535 HB2 PRO A 38 0.831 14.891 34.428 1.00 0.00 H ATOM 536 HB3 PRO A 38 0.563 16.650 34.403 1.00 0.00 H ATOM 537 N ASP A 39 4.240 14.257 34.732 1.00 18.63 N ATOM 538 CA ASP A 39 4.973 13.069 35.155 1.00 18.29 C ATOM 539 C ASP A 39 5.133 13.019 36.688 1.00 17.98 C ATOM 540 O ASP A 39 5.802 13.872 37.278 1.00 17.09 O ATOM 541 CB ASP A 39 6.340 13.107 34.460 1.00 17.67 C ATOM 542 CG ASP A 39 7.175 11.864 34.688 1.00 19.19 C ATOM 543 OD1 ASP A 39 7.019 11.176 35.713 1.00 19.24 O ATOM 544 OD2 ASP A 39 8.046 11.606 33.834 1.00 20.14 O ATOM 545 HA ASP A 39 4.424 12.170 34.875 1.00 0.00 H ATOM 546 HB2 ASP A 39 6.178 13.221 33.388 1.00 0.00 H ATOM 547 HB3 ASP A 39 6.894 13.967 34.836 1.00 0.00 H ATOM 548 H ASP A 39 4.555 14.755 33.875 1.00 0.00 H ATOM 549 N THR A 40 4.528 12.014 37.323 1.00 18.30 N ATOM 550 CA THR A 40 4.502 11.939 38.791 1.00 18.54 C ATOM 551 C THR A 40 5.867 11.615 39.438 1.00 18.32 C ATOM 552 O THR A 40 6.018 11.701 40.659 1.00 18.33 O ATOM 553 CB THR A 40 3.383 11.000 39.328 1.00 19.87 C ATOM 554 OG1 THR A 40 3.554 9.675 38.805 1.00 20.10 O ATOM 555 CG2 THR A 40 1.982 11.545 38.973 1.00 19.76 C ATOM 556 HA THR A 40 4.259 12.955 39.104 1.00 0.00 H ATOM 557 HB THR A 40 3.463 10.962 40.414 1.00 0.00 H ATOM 558 HG1 THR A 40 4.436 9.322 39.085 1.00 0.00 H ATOM 559 HG23 THR A 40 1.871 12.551 39.378 1.00 0.00 H ATOM 560 HG21 THR A 40 1.869 11.574 37.889 1.00 0.00 H ATOM 561 HG22 THR A 40 1.221 10.893 39.402 1.00 0.00 H ATOM 562 H THR A 40 4.064 11.267 36.767 1.00 0.00 H ATOM 563 N GLY A 41 6.863 11.276 38.617 1.00 17.87 N ATOM 564 CA GLY A 41 8.245 11.168 39.095 1.00 17.27 C ATOM 565 C GLY A 41 9.063 12.452 38.951 1.00 16.33 C ATOM 566 O GLY A 41 10.218 12.510 39.370 1.00 16.60 O ATOM 567 HA3 GLY A 41 8.742 10.381 38.528 1.00 0.00 H ATOM 568 HA2 GLY A 41 8.221 10.895 40.150 1.00 0.00 H ATOM 569 H GLY A 41 6.654 11.084 37.616 1.00 0.00 H ATOM 570 N VAL A 42 8.468 13.478 38.349 1.00 16.06 N ATOM 571 CA VAL A 42 9.097 14.804 38.253 1.00 15.04 C ATOM 572 C VAL A 42 8.771 15.620 39.506 1.00 15.28 C ATOM 573 O VAL A 42 7.611 15.710 39.925 1.00 15.57 O ATOM 574 CB VAL A 42 8.665 15.562 36.962 1.00 14.74 C ATOM 575 CG1 VAL A 42 9.230 16.979 36.933 1.00 13.05 C ATOM 576 CG2 VAL A 42 9.123 14.799 35.716 1.00 14.03 C ATOM 577 HA VAL A 42 10.176 14.665 38.188 1.00 0.00 H ATOM 578 HB VAL A 42 7.577 15.626 36.967 1.00 0.00 H ATOM 579 HG11 VAL A 42 8.865 17.532 37.798 1.00 0.00 H ATOM 580 HG12 VAL A 42 10.319 16.935 36.961 1.00 0.00 H ATOM 581 HG13 VAL A 42 8.909 17.478 36.019 1.00 0.00 H ATOM 582 HG21 VAL A 42 10.209 14.706 35.727 1.00 0.00 H ATOM 583 HG22 VAL A 42 8.672 13.807 35.713 1.00 0.00 H ATOM 584 HG23 VAL A 42 8.813 15.343 34.824 1.00 0.00 H ATOM 585 H VAL A 42 7.526 13.338 37.932 1.00 0.00 H ATOM 586 N SER A 43 9.796 16.202 40.118 1.00 15.08 N ATOM 587 CA SER A 43 9.584 17.037 41.295 1.00 15.25 C ATOM 588 C SER A 43 8.836 18.294 40.907 1.00 14.95 C ATOM 589 O SER A 43 8.893 18.733 39.768 1.00 14.38 O ATOM 590 CB SER A 43 10.914 17.404 41.954 1.00 14.87 C ATOM 591 OG SER A 43 11.462 16.284 42.621 1.00 16.05 O ATOM 592 HA SER A 43 8.992 16.471 42.014 1.00 0.00 H ATOM 593 HB2 SER A 43 10.749 18.205 42.674 1.00 0.00 H ATOM 594 HB3 SER A 43 11.612 17.743 41.189 1.00 0.00 H ATOM 595 HG SER A 43 10.831 15.976 43.319 1.00 0.00 H ATOM 596 H SER A 43 10.760 16.061 39.754 1.00 0.00 H ATOM 597 N ARG A 44 8.138 18.875 41.868 1.00 16.27 N ATOM 598 CA ARG A 44 7.389 20.095 41.632 1.00 16.98 C ATOM 599 C ARG A 44 8.267 21.252 41.157 1.00 16.64 C ATOM 600 O ARG A 44 7.865 21.988 40.263 1.00 16.05 O ATOM 601 CB ARG A 44 6.526 20.424 42.848 1.00 18.42 C ATOM 602 CG ARG A 44 5.363 19.405 42.937 1.00 21.74 C ATOM 603 CD ARG A 44 4.722 19.301 44.305 1.00 25.92 C ATOM 604 NE ARG A 44 5.421 18.397 45.219 1.00 26.56 N ATOM 605 CZ ARG A 44 4.928 18.016 46.393 1.00 31.16 C ATOM 606 NH1 ARG A 44 3.724 18.431 46.775 1.00 33.03 N ATOM 607 NH2 ARG A 44 5.623 17.207 47.187 1.00 32.65 N ATOM 608 HA ARG A 44 6.711 19.925 40.796 1.00 0.00 H ATOM 609 HB2 ARG A 44 7.132 20.366 43.752 1.00 0.00 H ATOM 610 HB3 ARG A 44 6.122 21.431 42.747 1.00 0.00 H ATOM 611 HG2 ARG A 44 4.595 19.701 42.223 1.00 0.00 H ATOM 612 HG3 ARG A 44 5.750 18.422 42.666 1.00 0.00 H ATOM 613 HD2 ARG A 44 3.701 18.941 44.180 1.00 0.00 H ATOM 614 HD3 ARG A 44 4.703 20.295 44.752 1.00 0.00 H ATOM 615 HE ARG A 44 6.353 18.033 44.935 1.00 0.00 H ATOM 616 HH12 ARG A 44 3.338 18.133 47.694 1.00 0.00 H ATOM 617 HH11 ARG A 44 3.168 19.054 46.155 1.00 0.00 H ATOM 618 HH22 ARG A 44 5.229 16.914 48.104 1.00 0.00 H ATOM 619 HH21 ARG A 44 6.560 16.867 46.891 1.00 0.00 H ATOM 620 H ARG A 44 8.126 18.447 42.816 1.00 0.00 H ATOM 621 N ARG A 45 9.449 21.394 41.761 1.00 16.48 N ATOM 622 CA ARG A 45 10.546 22.216 41.245 1.00 16.86 C ATOM 623 C ARG A 45 11.694 21.252 40.990 1.00 15.85 C ATOM 624 O ARG A 45 12.391 20.857 41.937 1.00 16.58 O ATOM 625 CB ARG A 45 10.979 23.259 42.288 1.00 18.23 C ATOM 626 CG ARG A 45 9.984 24.394 42.473 1.00 21.76 C ATOM 627 CD ARG A 45 10.372 25.329 43.627 1.00 26.20 C ATOM 628 NE ARG A 45 11.814 25.591 43.713 1.00 28.59 N ATOM 629 CZ ARG A 45 12.461 26.536 43.032 1.00 29.32 C ATOM 630 NH1 ARG A 45 11.814 27.320 42.182 1.00 30.58 N ATOM 631 NH2 ARG A 45 13.768 26.695 43.199 1.00 30.42 N ATOM 632 HA ARG A 45 10.246 22.754 40.346 1.00 0.00 H ATOM 633 HB2 ARG A 45 11.107 22.755 43.246 1.00 0.00 H ATOM 634 HB3 ARG A 45 11.932 23.685 41.973 1.00 0.00 H ATOM 635 HG2 ARG A 45 9.939 24.974 41.552 1.00 0.00 H ATOM 636 HG3 ARG A 45 9.002 23.969 42.681 1.00 0.00 H ATOM 637 HD2 ARG A 45 10.048 24.874 44.563 1.00 0.00 H ATOM 638 HD3 ARG A 45 9.857 26.279 43.489 1.00 0.00 H ATOM 639 HE ARG A 45 12.373 24.993 44.355 1.00 0.00 H ATOM 640 HH12 ARG A 45 12.330 28.054 41.656 1.00 0.00 H ATOM 641 HH11 ARG A 45 10.791 27.201 42.041 1.00 0.00 H ATOM 642 HH22 ARG A 45 14.274 27.432 42.668 1.00 0.00 H ATOM 643 HH21 ARG A 45 14.286 26.082 43.861 1.00 0.00 H ATOM 644 H ARG A 45 9.601 20.888 42.657 1.00 0.00 H ATOM 645 N HIS A 46 11.874 20.833 39.739 1.00 14.47 N ATOM 646 CA HIS A 46 12.801 19.737 39.444 1.00 13.70 C ATOM 647 C HIS A 46 14.170 20.229 39.003 1.00 13.93 C ATOM 648 O HIS A 46 15.203 19.828 39.559 1.00 13.95 O ATOM 649 CB HIS A 46 12.224 18.798 38.388 1.00 13.00 C ATOM 650 CG HIS A 46 12.874 17.456 38.370 1.00 13.10 C ATOM 651 ND1 HIS A 46 14.130 17.242 37.840 1.00 15.25 N ATOM 652 CD2 HIS A 46 12.450 16.256 38.828 1.00 12.97 C ATOM 653 CE1 HIS A 46 14.450 15.965 37.971 1.00 13.96 C ATOM 654 NE2 HIS A 46 13.444 15.346 38.567 1.00 16.72 N ATOM 655 HA HIS A 46 12.933 19.191 40.378 1.00 0.00 H ATOM 656 HB2 HIS A 46 11.161 18.665 38.588 1.00 0.00 H ATOM 657 HB3 HIS A 46 12.353 19.258 37.408 1.00 0.00 H ATOM 658 HD2 HIS A 46 11.496 16.050 39.314 1.00 0.00 H ATOM 659 HE1 HIS A 46 15.382 15.503 37.644 1.00 0.00 H ATOM 660 H HIS A 46 11.351 21.288 38.963 1.00 0.00 H ATOM 661 N LEU A 47 14.184 21.092 37.997 1.00 13.64 N ATOM 662 CA LEU A 47 15.430 21.683 37.565 1.00 14.47 C ATOM 663 C LEU A 47 15.228 23.128 37.148 1.00 14.97 C ATOM 664 O LEU A 47 14.101 23.575 36.841 1.00 14.66 O ATOM 665 CB LEU A 47 16.076 20.856 36.435 1.00 14.29 C ATOM 666 CG LEU A 47 15.301 20.663 35.134 1.00 14.34 C ATOM 667 CD1 LEU A 47 15.638 21.780 34.143 1.00 15.79 C ATOM 668 CD2 LEU A 47 15.619 19.328 34.505 1.00 16.53 C ATOM 669 HA LEU A 47 16.118 21.675 38.411 1.00 0.00 H ATOM 670 HB2 LEU A 47 17.017 21.342 36.179 1.00 0.00 H ATOM 671 HB3 LEU A 47 16.279 19.864 36.838 1.00 0.00 H ATOM 672 HG LEU A 47 14.238 20.695 35.374 1.00 0.00 H ATOM 673 HD21 LEU A 47 16.686 19.275 34.287 1.00 0.00 H ATOM 674 HD22 LEU A 47 15.348 18.529 35.195 1.00 0.00 H ATOM 675 HD23 LEU A 47 15.052 19.219 33.580 1.00 0.00 H ATOM 676 HD11 LEU A 47 15.370 22.743 34.578 1.00 0.00 H ATOM 677 HD12 LEU A 47 16.706 21.762 33.927 1.00 0.00 H ATOM 678 HD13 LEU A 47 15.077 21.627 33.221 1.00 0.00 H ATOM 679 H LEU A 47 13.296 21.344 37.518 1.00 0.00 H ATOM 680 N GLU A 48 16.335 23.855 37.141 1.00 14.98 N ATOM 681 CA GLU A 48 16.339 25.206 36.635 1.00 16.25 C ATOM 682 C GLU A 48 17.315 25.266 35.473 1.00 16.21 C ATOM 683 O GLU A 48 18.380 24.641 35.514 1.00 16.06 O ATOM 684 CB GLU A 48 16.776 26.163 37.731 1.00 16.78 C ATOM 685 CG GLU A 48 16.881 27.606 37.292 1.00 21.03 C ATOM 686 CD GLU A 48 17.601 28.430 38.322 1.00 27.07 C ATOM 687 OE1 GLU A 48 18.762 28.079 38.649 1.00 30.90 O ATOM 688 OE2 GLU A 48 17.011 29.412 38.808 1.00 29.21 O ATOM 689 HA GLU A 48 15.341 25.493 36.305 1.00 0.00 H ATOM 690 HB2 GLU A 48 16.052 26.105 38.544 1.00 0.00 H ATOM 691 HB3 GLU A 48 17.753 25.844 38.093 1.00 0.00 H ATOM 692 HG2 GLU A 48 17.428 27.654 36.350 1.00 0.00 H ATOM 693 HG3 GLU A 48 15.879 28.010 37.149 1.00 0.00 H ATOM 694 H GLU A 48 17.218 23.444 37.507 1.00 0.00 H ATOM 695 N ILE A 49 16.940 25.986 34.423 1.00 16.14 N ATOM 696 CA ILE A 49 17.919 26.358 33.408 1.00 16.43 C ATOM 697 C ILE A 49 18.043 27.877 33.369 1.00 17.68 C ATOM 698 O ILE A 49 17.063 28.579 33.113 1.00 17.37 O ATOM 699 CB ILE A 49 17.574 25.812 32.011 1.00 15.70 C ATOM 700 CG1 ILE A 49 17.409 24.288 32.049 1.00 15.68 C ATOM 701 CG2 ILE A 49 18.672 26.216 30.993 1.00 15.54 C ATOM 702 CD1 ILE A 49 16.639 23.722 30.850 1.00 15.89 C ATOM 703 HA ILE A 49 18.871 25.906 33.686 1.00 0.00 H ATOM 704 HB ILE A 49 16.626 26.247 31.694 1.00 0.00 H ATOM 705 HG12 ILE A 49 18.400 23.835 32.067 1.00 0.00 H ATOM 706 HG13 ILE A 49 16.872 24.022 32.960 1.00 0.00 H ATOM 707 HD11 ILE A 49 15.640 24.157 30.823 1.00 0.00 H ATOM 708 HD12 ILE A 49 17.169 23.969 29.930 1.00 0.00 H ATOM 709 HD13 ILE A 49 16.563 22.639 30.947 1.00 0.00 H ATOM 710 HG21 ILE A 49 18.740 27.303 30.946 1.00 0.00 H ATOM 711 HG22 ILE A 49 19.630 25.805 31.311 1.00 0.00 H ATOM 712 HG23 ILE A 49 18.416 25.823 30.009 1.00 0.00 H ATOM 713 H ILE A 49 15.949 26.285 34.324 1.00 0.00 H ATOM 714 N ARG A 50 19.243 28.380 33.643 1.00 18.86 N ATOM 715 CA ARG A 50 19.511 29.807 33.489 1.00 20.65 C ATOM 716 C ARG A 50 20.036 30.112 32.093 1.00 20.94 C ATOM 717 O ARG A 50 20.985 29.476 31.619 1.00 21.18 O ATOM 718 CB ARG A 50 20.483 30.299 34.555 1.00 21.44 C ATOM 719 CG ARG A 50 19.870 30.330 35.935 1.00 24.20 C ATOM 720 CD ARG A 50 20.730 31.149 36.895 1.00 29.71 C ATOM 721 NE ARG A 50 21.086 32.451 36.321 1.00 33.93 N ATOM 722 CZ ARG A 50 20.304 33.534 36.319 1.00 35.36 C ATOM 723 NH1 ARG A 50 19.092 33.505 36.862 1.00 35.71 N ATOM 724 NH2 ARG A 50 20.744 34.655 35.766 1.00 35.44 N ATOM 725 HA ARG A 50 18.570 30.342 33.621 1.00 0.00 H ATOM 726 HB2 ARG A 50 21.347 29.635 34.572 1.00 0.00 H ATOM 727 HB3 ARG A 50 20.806 31.307 34.294 1.00 0.00 H ATOM 728 HG2 ARG A 50 18.877 30.777 35.875 1.00 0.00 H ATOM 729 HG3 ARG A 50 19.786 29.311 36.312 1.00 0.00 H ATOM 730 HD2 ARG A 50 21.644 30.596 37.112 1.00 0.00 H ATOM 731 HD3 ARG A 50 20.175 31.309 37.819 1.00 0.00 H ATOM 732 HE ARG A 50 22.024 32.538 35.880 1.00 0.00 H ATOM 733 HH12 ARG A 50 18.497 34.358 36.851 1.00 0.00 H ATOM 734 HH11 ARG A 50 18.738 32.629 37.298 1.00 0.00 H ATOM 735 HH22 ARG A 50 20.142 35.503 35.760 1.00 0.00 H ATOM 736 HH21 ARG A 50 21.691 34.687 35.338 1.00 0.00 H ATOM 737 H ARG A 50 20.001 27.748 33.972 1.00 0.00 H ATOM 738 N TRP A 51 19.408 31.085 31.441 1.00 21.07 N ATOM 739 CA TRP A 51 19.761 31.468 30.081 1.00 21.54 C ATOM 740 C TRP A 51 20.166 32.931 30.074 1.00 23.02 C ATOM 741 O TRP A 51 19.427 33.782 30.568 1.00 23.45 O ATOM 742 CB TRP A 51 18.558 31.206 29.144 1.00 20.58 C ATOM 743 CG TRP A 51 18.720 31.653 27.715 1.00 20.54 C ATOM 744 CD1 TRP A 51 17.902 32.510 27.025 1.00 20.13 C ATOM 745 CD2 TRP A 51 19.735 31.240 26.789 1.00 20.55 C ATOM 746 NE1 TRP A 51 18.353 32.667 25.740 1.00 19.60 N ATOM 747 CE2 TRP A 51 19.474 31.897 25.563 1.00 20.85 C ATOM 748 CE3 TRP A 51 20.840 30.386 26.877 1.00 20.45 C ATOM 749 CZ2 TRP A 51 20.284 31.730 24.432 1.00 19.91 C ATOM 750 CZ3 TRP A 51 21.649 30.217 25.747 1.00 21.08 C ATOM 751 CH2 TRP A 51 21.365 30.892 24.545 1.00 21.51 C ATOM 752 HA TRP A 51 20.601 30.875 29.720 1.00 0.00 H ATOM 753 HB2 TRP A 51 18.368 30.133 29.138 1.00 0.00 H ATOM 754 HB3 TRP A 51 17.693 31.724 29.559 1.00 0.00 H ATOM 755 HE1 TRP A 51 17.916 33.272 25.016 1.00 0.00 H ATOM 756 HD1 TRP A 51 17.019 32.997 27.439 1.00 0.00 H ATOM 757 HZ2 TRP A 51 20.064 32.246 23.498 1.00 0.00 H ATOM 758 HH2 TRP A 51 22.018 30.746 23.685 1.00 0.00 H ATOM 759 HZ3 TRP A 51 22.512 29.553 25.799 1.00 0.00 H ATOM 760 HE3 TRP A 51 21.066 29.863 27.806 1.00 0.00 H ATOM 761 H TRP A 51 18.636 31.592 31.920 1.00 0.00 H ATOM 762 N ASP A 52 21.353 33.228 29.547 1.00 24.33 N ATOM 763 CA ASP A 52 21.817 34.617 29.485 1.00 25.80 C ATOM 764 C ASP A 52 22.021 35.118 28.054 1.00 26.48 C ATOM 765 O ASP A 52 22.665 36.144 27.830 1.00 27.03 O ATOM 766 CB ASP A 52 23.087 34.809 30.324 1.00 26.64 C ATOM 767 CG ASP A 52 24.303 34.082 29.747 1.00 27.40 C ATOM 768 OD1 ASP A 52 24.180 33.416 28.697 1.00 26.18 O ATOM 769 OD2 ASP A 52 25.386 34.180 30.365 1.00 28.61 O ATOM 770 HA ASP A 52 21.022 35.228 29.912 1.00 0.00 H ATOM 771 HB2 ASP A 52 23.311 35.874 30.375 1.00 0.00 H ATOM 772 HB3 ASP A 52 22.900 34.430 31.329 1.00 0.00 H ATOM 773 H ASP A 52 21.956 32.467 29.176 1.00 0.00 H ATOM 774 N GLY A 53 21.465 34.390 27.092 1.00 26.13 N ATOM 775 CA GLY A 53 21.627 34.742 25.692 1.00 27.02 C ATOM 776 C GLY A 53 22.774 34.018 25.014 1.00 27.15 C ATOM 777 O GLY A 53 22.844 33.992 23.794 1.00 27.12 O ATOM 778 HA3 GLY A 53 21.808 35.815 25.625 1.00 0.00 H ATOM 779 HA2 GLY A 53 20.705 34.497 25.166 1.00 0.00 H ATOM 780 H GLY A 53 20.903 33.552 27.346 1.00 0.00 H ATOM 781 N GLN A 54 23.673 33.431 25.804 1.00 27.82 N ATOM 782 CA GLN A 54 24.824 32.711 25.254 1.00 28.44 C ATOM 783 C GLN A 54 24.983 31.315 25.837 1.00 27.20 C ATOM 784 O GLN A 54 25.317 30.371 25.127 1.00 27.13 O ATOM 785 CB GLN A 54 26.116 33.483 25.500 1.00 30.01 C ATOM 786 CG GLN A 54 26.413 34.556 24.479 1.00 33.83 C ATOM 787 CD GLN A 54 27.899 34.858 24.387 1.00 38.41 C ATOM 788 OE1 GLN A 54 28.608 34.905 25.403 1.00 40.11 O ATOM 789 NE2 GLN A 54 28.381 35.055 23.163 1.00 40.48 N ATOM 790 HA GLN A 54 24.631 32.618 24.185 1.00 0.00 H ATOM 791 HB2 GLN A 54 26.048 33.955 26.480 1.00 0.00 H ATOM 792 HB3 GLN A 54 26.943 32.772 25.497 1.00 0.00 H ATOM 793 HG2 GLN A 54 26.061 34.221 23.503 1.00 0.00 H ATOM 794 HG3 GLN A 54 25.885 35.467 24.762 1.00 0.00 H ATOM 795 HE22 GLN A 54 27.747 35.006 22.340 1.00 0.00 H ATOM 796 HE21 GLN A 54 29.392 35.258 23.029 1.00 0.00 H ATOM 797 H GLN A 54 23.554 33.486 26.836 1.00 0.00 H ATOM 798 N VAL A 55 24.772 31.199 27.139 1.00 26.00 N ATOM 799 CA VAL A 55 25.022 29.954 27.830 1.00 24.77 C ATOM 800 C VAL A 55 23.759 29.529 28.563 1.00 23.27 C ATOM 801 O VAL A 55 23.126 30.346 29.239 1.00 23.11 O ATOM 802 CB VAL A 55 26.222 30.101 28.796 1.00 25.64 C ATOM 803 CG1 VAL A 55 26.421 28.846 29.605 1.00 26.28 C ATOM 804 CG2 VAL A 55 27.501 30.432 28.009 1.00 26.25 C ATOM 805 HA VAL A 55 25.283 29.178 27.110 1.00 0.00 H ATOM 806 HB VAL A 55 26.006 30.919 29.483 1.00 0.00 H ATOM 807 HG11 VAL A 55 25.523 28.646 30.190 1.00 0.00 H ATOM 808 HG12 VAL A 55 26.613 28.009 28.934 1.00 0.00 H ATOM 809 HG13 VAL A 55 27.271 28.978 30.275 1.00 0.00 H ATOM 810 HG21 VAL A 55 27.709 29.629 27.301 1.00 0.00 H ATOM 811 HG22 VAL A 55 27.361 31.368 27.468 1.00 0.00 H ATOM 812 HG23 VAL A 55 28.337 30.532 28.702 1.00 0.00 H ATOM 813 H VAL A 55 24.420 32.018 27.674 1.00 0.00 H ATOM 814 N ALA A 56 23.383 28.261 28.390 1.00 21.70 N ATOM 815 CA ALA A 56 22.278 27.665 29.132 1.00 20.66 C ATOM 816 C ALA A 56 22.835 26.705 30.178 1.00 20.40 C ATOM 817 O ALA A 56 23.452 25.673 29.857 1.00 19.83 O ATOM 818 CB ALA A 56 21.282 26.964 28.204 1.00 20.14 C ATOM 819 HA ALA A 56 21.725 28.459 29.634 1.00 0.00 H ATOM 820 HB1 ALA A 56 20.871 27.688 27.500 1.00 0.00 H ATOM 821 HB2 ALA A 56 21.793 26.173 27.656 1.00 0.00 H ATOM 822 HB3 ALA A 56 20.475 26.534 28.797 1.00 0.00 H ATOM 823 H ALA A 56 23.897 27.676 27.701 1.00 0.00 H ATOM 824 N LEU A 57 22.645 27.091 31.436 1.00 19.65 N ATOM 825 CA LEU A 57 23.217 26.378 32.565 1.00 19.30 C ATOM 826 C LEU A 57 22.091 25.693 33.309 1.00 18.22 C ATOM 827 O LEU A 57 21.235 26.362 33.903 1.00 17.11 O ATOM 828 CB LEU A 57 23.973 27.351 33.488 1.00 20.27 C ATOM 829 CG LEU A 57 25.263 27.931 32.883 1.00 23.82 C ATOM 830 CD1 LEU A 57 25.782 29.176 33.637 1.00 26.28 C ATOM 831 CD2 LEU A 57 26.359 26.855 32.752 1.00 25.81 C ATOM 832 HA LEU A 57 23.934 25.635 32.217 1.00 0.00 H ATOM 833 HB2 LEU A 57 23.307 28.180 33.729 1.00 0.00 H ATOM 834 HB3 LEU A 57 24.235 26.819 34.403 1.00 0.00 H ATOM 835 HG LEU A 57 25.001 28.270 31.881 1.00 0.00 H ATOM 836 HD21 LEU A 57 26.590 26.452 33.738 1.00 0.00 H ATOM 837 HD22 LEU A 57 26.004 26.053 32.105 1.00 0.00 H ATOM 838 HD23 LEU A 57 27.255 27.302 32.321 1.00 0.00 H ATOM 839 HD11 LEU A 57 25.024 29.958 33.609 1.00 0.00 H ATOM 840 HD12 LEU A 57 25.994 28.910 34.673 1.00 0.00 H ATOM 841 HD13 LEU A 57 26.694 29.535 33.159 1.00 0.00 H ATOM 842 H LEU A 57 22.065 27.935 31.619 1.00 0.00 H ATOM 843 N LEU A 58 22.076 24.365 33.242 1.00 16.81 N ATOM 844 CA LEU A 58 21.081 23.573 33.955 1.00 16.05 C ATOM 845 C LEU A 58 21.533 23.317 35.396 1.00 16.21 C ATOM 846 O LEU A 58 22.710 23.052 35.644 1.00 17.01 O ATOM 847 CB LEU A 58 20.813 22.254 33.215 1.00 15.40 C ATOM 848 CG LEU A 58 19.923 21.168 33.852 1.00 15.97 C ATOM 849 CD1 LEU A 58 19.291 20.305 32.784 1.00 14.82 C ATOM 850 CD2 LEU A 58 20.689 20.280 34.842 1.00 17.42 C ATOM 851 HA LEU A 58 20.147 24.134 33.990 1.00 0.00 H ATOM 852 HB2 LEU A 58 20.352 22.517 32.263 1.00 0.00 H ATOM 853 HB3 LEU A 58 21.785 21.795 33.032 1.00 0.00 H ATOM 854 HG LEU A 58 19.148 21.692 34.411 1.00 0.00 H ATOM 855 HD21 LEU A 58 21.507 19.780 34.322 1.00 0.00 H ATOM 856 HD22 LEU A 58 21.091 20.897 35.646 1.00 0.00 H ATOM 857 HD23 LEU A 58 20.012 19.534 35.259 1.00 0.00 H ATOM 858 HD11 LEU A 58 18.678 20.927 32.132 1.00 0.00 H ATOM 859 HD12 LEU A 58 20.074 19.823 32.198 1.00 0.00 H ATOM 860 HD13 LEU A 58 18.667 19.545 33.255 1.00 0.00 H ATOM 861 H LEU A 58 22.793 23.879 32.666 1.00 0.00 H ATOM 862 N ALA A 59 20.600 23.383 36.349 1.00 15.52 N ATOM 863 CA ALA A 59 20.882 22.941 37.709 1.00 15.96 C ATOM 864 C ALA A 59 19.741 22.078 38.228 1.00 15.71 C ATOM 865 O ALA A 59 18.590 22.493 38.176 1.00 15.26 O ATOM 866 CB ALA A 59 21.118 24.143 38.650 1.00 16.30 C ATOM 867 HA ALA A 59 21.795 22.347 37.689 1.00 0.00 H ATOM 868 HB1 ALA A 59 21.967 24.724 38.290 1.00 0.00 H ATOM 869 HB2 ALA A 59 20.227 24.771 38.666 1.00 0.00 H ATOM 870 HB3 ALA A 59 21.326 23.780 39.656 1.00 0.00 H ATOM 871 H ALA A 59 19.657 23.756 36.117 1.00 0.00 H ATOM 872 N ASP A 60 20.065 20.874 38.706 1.00 16.16 N ATOM 873 CA ASP A 60 19.092 20.037 39.413 1.00 16.51 C ATOM 874 C ASP A 60 18.741 20.735 40.723 1.00 17.03 C ATOM 875 O ASP A 60 19.634 21.228 41.411 1.00 17.51 O ATOM 876 CB ASP A 60 19.686 18.653 39.696 1.00 16.98 C ATOM 877 CG ASP A 60 18.692 17.718 40.374 1.00 18.47 C ATOM 878 OD1 ASP A 60 17.801 17.203 39.680 1.00 18.20 O ATOM 879 OD2 ASP A 60 18.787 17.511 41.607 1.00 19.50 O ATOM 880 HA ASP A 60 18.199 19.900 38.803 1.00 0.00 H ATOM 881 HB2 ASP A 60 19.998 18.207 38.752 1.00 0.00 H ATOM 882 HB3 ASP A 60 20.554 18.771 40.345 1.00 0.00 H ATOM 883 H ASP A 60 21.034 20.521 38.573 1.00 0.00 H ATOM 884 N LEU A 61 17.457 20.779 41.073 1.00 17.01 N ATOM 885 CA LEU A 61 17.033 21.529 42.255 1.00 18.02 C ATOM 886 C LEU A 61 16.805 20.622 43.470 1.00 19.06 C ATOM 887 O LEU A 61 15.742 20.636 44.085 1.00 18.64 O ATOM 888 CB LEU A 61 15.811 22.408 41.932 1.00 17.92 C ATOM 889 CG LEU A 61 16.074 23.512 40.891 1.00 17.05 C ATOM 890 CD1 LEU A 61 14.800 24.239 40.532 1.00 17.44 C ATOM 891 CD2 LEU A 61 17.123 24.480 41.392 1.00 18.95 C ATOM 892 HA LEU A 61 17.848 22.195 42.537 1.00 0.00 H ATOM 893 HB2 LEU A 61 15.019 21.763 41.552 1.00 0.00 H ATOM 894 HB3 LEU A 61 15.479 22.883 42.855 1.00 0.00 H ATOM 895 HG LEU A 61 16.452 23.036 39.986 1.00 0.00 H ATOM 896 HD21 LEU A 61 16.777 24.942 42.317 1.00 0.00 H ATOM 897 HD22 LEU A 61 18.052 23.942 41.579 1.00 0.00 H ATOM 898 HD23 LEU A 61 17.293 25.251 40.640 1.00 0.00 H ATOM 899 HD11 LEU A 61 14.084 23.531 40.115 1.00 0.00 H ATOM 900 HD12 LEU A 61 14.380 24.697 41.427 1.00 0.00 H ATOM 901 HD13 LEU A 61 15.019 25.012 39.795 1.00 0.00 H ATOM 902 H LEU A 61 16.749 20.276 40.501 1.00 0.00 H ATOM 903 N ASN A 62 17.818 19.818 43.795 1.00 19.97 N ATOM 904 CA ASN A 62 17.709 18.840 44.862 1.00 21.57 C ATOM 905 C ASN A 62 16.478 17.955 44.652 1.00 20.46 C ATOM 906 O ASN A 62 15.716 17.686 45.578 1.00 20.58 O ATOM 907 CB ASN A 62 17.644 19.557 46.215 1.00 23.56 C ATOM 908 CG ASN A 62 18.475 18.881 47.271 1.00 28.34 C ATOM 909 OD1 ASN A 62 18.492 17.649 47.378 1.00 33.87 O ATOM 910 ND2 ASN A 62 19.167 19.682 48.079 1.00 34.16 N ATOM 911 HA ASN A 62 18.589 18.197 44.850 1.00 0.00 H ATOM 912 HB2 ASN A 62 18.005 20.577 46.087 1.00 0.00 H ATOM 913 HB3 ASN A 62 16.607 19.579 46.549 1.00 0.00 H ATOM 914 HD22 ASN A 62 19.123 20.713 47.952 1.00 0.00 H ATOM 915 HD21 ASN A 62 19.752 19.276 48.837 1.00 0.00 H ATOM 916 H ASN A 62 18.712 19.894 43.269 1.00 0.00 H ATOM 917 N SER A 63 16.288 17.527 43.407 1.00 19.22 N ATOM 918 CA SER A 63 15.107 16.782 43.016 1.00 18.36 C ATOM 919 C SER A 63 15.089 15.397 43.644 1.00 18.19 C ATOM 920 O SER A 63 16.128 14.816 43.925 1.00 18.38 O ATOM 921 CB SER A 63 15.010 16.691 41.493 1.00 17.48 C ATOM 922 OG SER A 63 15.901 15.710 41.001 1.00 16.89 O ATOM 923 HA SER A 63 14.235 17.321 43.386 1.00 0.00 H ATOM 924 HB2 SER A 63 15.264 17.658 41.058 1.00 0.00 H ATOM 925 HB3 SER A 63 13.991 16.424 41.213 1.00 0.00 H ATOM 926 HG SER A 63 16.828 15.952 41.252 1.00 0.00 H ATOM 927 H SER A 63 17.012 17.734 42.689 1.00 0.00 H ATOM 928 N THR A 64 13.895 14.879 43.853 1.00 18.03 N ATOM 929 CA THR A 64 13.722 13.552 44.420 1.00 19.06 C ATOM 930 C THR A 64 14.393 12.449 43.573 1.00 19.14 C ATOM 931 O THR A 64 15.048 11.567 44.120 1.00 19.78 O ATOM 932 CB THR A 64 12.227 13.261 44.616 1.00 18.94 C ATOM 933 OG1 THR A 64 11.726 14.123 45.640 1.00 18.73 O ATOM 934 CG2 THR A 64 11.991 11.813 45.004 1.00 19.42 C ATOM 935 HA THR A 64 14.223 13.541 45.388 1.00 0.00 H ATOM 936 HB THR A 64 11.706 13.441 43.675 1.00 0.00 H ATOM 937 HG1 THR A 64 11.854 15.066 45.368 1.00 0.00 H ATOM 938 HG23 THR A 64 12.375 11.161 44.220 1.00 0.00 H ATOM 939 HG21 THR A 64 12.507 11.600 45.940 1.00 0.00 H ATOM 940 HG22 THR A 64 10.922 11.642 45.130 1.00 0.00 H ATOM 941 H THR A 64 13.052 15.436 43.605 1.00 0.00 H ATOM 942 N ASN A 65 14.240 12.505 42.250 1.00 18.60 N ATOM 943 CA ASN A 65 14.710 11.395 41.396 1.00 18.70 C ATOM 944 C ASN A 65 15.941 11.700 40.551 1.00 18.25 C ATOM 945 O ASN A 65 16.457 10.829 39.858 1.00 18.54 O ATOM 946 CB ASN A 65 13.576 10.859 40.517 1.00 18.34 C ATOM 947 CG ASN A 65 12.504 10.134 41.322 1.00 19.61 C ATOM 948 OD1 ASN A 65 11.302 10.360 41.127 1.00 20.49 O ATOM 949 ND2 ASN A 65 12.932 9.258 42.227 1.00 18.16 N ATOM 950 HA ASN A 65 15.030 10.626 42.099 1.00 0.00 H ATOM 951 HB2 ASN A 65 13.114 11.696 39.994 1.00 0.00 H ATOM 952 HB3 ASN A 65 13.996 10.165 39.789 1.00 0.00 H ATOM 953 HD22 ASN A 65 13.952 9.100 42.357 1.00 0.00 H ATOM 954 HD21 ASN A 65 12.247 8.731 42.805 1.00 0.00 H ATOM 955 H ASN A 65 13.787 13.335 41.817 1.00 0.00 H ATOM 956 N GLY A 66 16.395 12.944 40.609 1.00 18.04 N ATOM 957 CA GLY A 66 17.635 13.342 39.960 1.00 17.59 C ATOM 958 C GLY A 66 17.417 13.767 38.525 1.00 17.15 C ATOM 959 O GLY A 66 16.327 13.594 37.972 1.00 16.50 O ATOM 960 HA3 GLY A 66 18.326 12.499 39.976 1.00 0.00 H ATOM 961 HA2 GLY A 66 18.068 14.176 40.512 1.00 0.00 H ATOM 962 H GLY A 66 15.849 13.657 41.134 1.00 0.00 H ATOM 963 N THR A 67 18.467 14.321 37.930 1.00 16.93 N ATOM 964 CA THR A 67 18.462 14.721 36.525 1.00 16.78 C ATOM 965 C THR A 67 19.687 14.124 35.852 1.00 17.52 C ATOM 966 O THR A 67 20.791 14.146 36.421 1.00 17.81 O ATOM 967 CB THR A 67 18.493 16.269 36.389 1.00 16.22 C ATOM 968 OG1 THR A 67 17.383 16.836 37.097 1.00 15.45 O ATOM 969 CG2 THR A 67 18.409 16.701 34.941 1.00 14.84 C ATOM 970 HA THR A 67 17.550 14.359 36.051 1.00 0.00 H ATOM 971 HB THR A 67 19.437 16.619 36.806 1.00 0.00 H ATOM 972 HG1 THR A 67 17.442 16.588 38.054 1.00 0.00 H ATOM 973 HG23 THR A 67 19.247 16.278 34.388 1.00 0.00 H ATOM 974 HG21 THR A 67 17.472 16.347 34.511 1.00 0.00 H ATOM 975 HG22 THR A 67 18.447 17.789 34.885 1.00 0.00 H ATOM 976 H THR A 67 19.330 14.477 38.489 1.00 0.00 H ATOM 977 N THR A 68 19.489 13.566 34.658 1.00 18.11 N ATOM 978 CA THR A 68 20.597 13.138 33.816 1.00 18.19 C ATOM 979 C THR A 68 20.629 13.946 32.512 1.00 17.91 C ATOM 980 O THR A 68 19.585 14.358 31.992 1.00 17.19 O ATOM 981 CB THR A 68 20.529 11.627 33.486 1.00 19.49 C ATOM 982 OG1 THR A 68 19.399 11.372 32.647 1.00 20.33 O ATOM 983 CG2 THR A 68 20.438 10.764 34.779 1.00 20.22 C ATOM 984 HA THR A 68 21.511 13.319 34.381 1.00 0.00 H ATOM 985 HB THR A 68 21.446 11.350 32.965 1.00 0.00 H ATOM 986 HG1 THR A 68 19.489 11.890 31.808 1.00 0.00 H ATOM 987 HG23 THR A 68 21.303 10.966 35.411 1.00 0.00 H ATOM 988 HG21 THR A 68 19.525 11.016 35.319 1.00 0.00 H ATOM 989 HG22 THR A 68 20.422 9.708 34.509 1.00 0.00 H ATOM 990 H THR A 68 18.515 13.432 34.318 1.00 0.00 H ATOM 991 N VAL A 69 21.832 14.171 31.999 1.00 18.10 N ATOM 992 CA VAL A 69 22.027 14.746 30.668 1.00 18.09 C ATOM 993 C VAL A 69 22.820 13.739 29.841 1.00 19.25 C ATOM 994 O VAL A 69 23.919 13.334 30.229 1.00 19.73 O ATOM 995 CB VAL A 69 22.755 16.106 30.735 1.00 17.75 C ATOM 996 CG1 VAL A 69 23.081 16.633 29.319 1.00 16.20 C ATOM 997 CG2 VAL A 69 21.914 17.112 31.517 1.00 16.48 C ATOM 998 HA VAL A 69 21.060 14.940 30.205 1.00 0.00 H ATOM 999 HB VAL A 69 23.702 15.967 31.257 1.00 0.00 H ATOM 1000 HG11 VAL A 69 23.724 15.918 28.806 1.00 0.00 H ATOM 1001 HG12 VAL A 69 22.155 16.760 28.758 1.00 0.00 H ATOM 1002 HG13 VAL A 69 23.593 17.592 29.399 1.00 0.00 H ATOM 1003 HG21 VAL A 69 20.953 17.244 31.020 1.00 0.00 H ATOM 1004 HG22 VAL A 69 21.754 16.741 32.529 1.00 0.00 H ATOM 1005 HG23 VAL A 69 22.437 18.067 31.558 1.00 0.00 H ATOM 1006 H VAL A 69 22.670 13.929 32.566 1.00 0.00 H ATOM 1007 N ASN A 70 22.249 13.321 28.714 1.00 20.05 N ATOM 1008 CA ASN A 70 22.848 12.284 27.873 1.00 21.93 C ATOM 1009 C ASN A 70 23.186 11.025 28.683 1.00 23.49 C ATOM 1010 O ASN A 70 24.239 10.393 28.498 1.00 24.26 O ATOM 1011 CB ASN A 70 24.071 12.840 27.134 1.00 22.00 C ATOM 1012 CG ASN A 70 23.740 14.084 26.325 1.00 21.87 C ATOM 1013 OD1 ASN A 70 24.514 15.045 26.297 1.00 24.33 O ATOM 1014 ND2 ASN A 70 22.587 14.076 25.671 1.00 19.23 N ATOM 1015 HA ASN A 70 22.115 11.982 27.125 1.00 0.00 H ATOM 1016 HB2 ASN A 70 24.839 13.091 27.866 1.00 0.00 H ATOM 1017 HB3 ASN A 70 24.451 12.073 26.459 1.00 0.00 H ATOM 1018 HD22 ASN A 70 21.965 13.244 25.723 1.00 0.00 H ATOM 1019 HD21 ASN A 70 22.304 14.902 25.106 1.00 0.00 H ATOM 1020 H ASN A 70 21.346 13.746 28.421 1.00 0.00 H ATOM 1021 N ASN A 71 22.263 10.702 29.590 1.00 24.20 N ATOM 1022 CA ASN A 71 22.291 9.515 30.436 1.00 25.83 C ATOM 1023 C ASN A 71 23.266 9.544 31.622 1.00 26.16 C ATOM 1024 O ASN A 71 23.428 8.550 32.332 1.00 26.90 O ATOM 1025 CB ASN A 71 22.423 8.234 29.589 1.00 27.69 C ATOM 1026 CG ASN A 71 21.090 7.805 28.981 1.00 29.95 C ATOM 1027 OD1 ASN A 71 20.062 7.767 29.666 1.00 33.30 O ATOM 1028 ND2 ASN A 71 21.099 7.485 27.695 1.00 32.78 N ATOM 1029 HA ASN A 71 21.320 9.512 30.931 1.00 0.00 H ATOM 1030 HB2 ASN A 71 23.134 8.417 28.783 1.00 0.00 H ATOM 1031 HB3 ASN A 71 22.795 7.430 30.224 1.00 0.00 H ATOM 1032 HD22 ASN A 71 21.986 7.530 27.154 1.00 0.00 H ATOM 1033 HD21 ASN A 71 20.219 7.189 27.227 1.00 0.00 H ATOM 1034 H ASN A 71 21.457 11.350 29.703 1.00 0.00 H ATOM 1035 N ALA A 72 23.887 10.697 31.851 1.00 25.50 N ATOM 1036 CA ALA A 72 24.812 10.851 32.965 1.00 25.98 C ATOM 1037 C ALA A 72 24.199 11.751 34.028 1.00 25.34 C ATOM 1038 O ALA A 72 23.760 12.860 33.711 1.00 24.53 O ATOM 1039 CB ALA A 72 26.131 11.422 32.482 1.00 26.29 C ATOM 1040 HA ALA A 72 25.003 9.871 33.403 1.00 0.00 H ATOM 1041 HB1 ALA A 72 26.570 10.748 31.746 1.00 0.00 H ATOM 1042 HB2 ALA A 72 25.958 12.397 32.026 1.00 0.00 H ATOM 1043 HB3 ALA A 72 26.810 11.530 33.328 1.00 0.00 H ATOM 1044 H ALA A 72 23.708 11.505 31.222 1.00 0.00 H ATOM 1045 N PRO A 73 24.174 11.282 35.293 1.00 25.87 N ATOM 1046 CA PRO A 73 23.652 12.102 36.389 1.00 25.12 C ATOM 1047 C PRO A 73 24.430 13.413 36.489 1.00 24.54 C ATOM 1048 O PRO A 73 25.645 13.424 36.322 1.00 24.98 O ATOM 1049 CB PRO A 73 23.871 11.224 37.631 1.00 26.29 C ATOM 1050 CG PRO A 73 24.906 10.226 37.228 1.00 27.96 C ATOM 1051 CD PRO A 73 24.696 9.989 35.771 1.00 26.95 C ATOM 1052 HA PRO A 73 22.607 12.385 36.259 1.00 0.00 H ATOM 1053 HD3 PRO A 73 25.634 9.738 35.276 1.00 0.00 H ATOM 1054 HD2 PRO A 73 23.974 9.190 35.604 1.00 0.00 H ATOM 1055 HG3 PRO A 73 24.777 9.299 37.786 1.00 0.00 H ATOM 1056 HG2 PRO A 73 25.906 10.621 37.408 1.00 0.00 H ATOM 1057 HB2 PRO A 73 24.226 11.826 38.467 1.00 0.00 H ATOM 1058 HB3 PRO A 73 22.945 10.722 37.913 1.00 0.00 H ATOM 1059 N VAL A 74 23.721 14.519 36.698 1.00 23.58 N ATOM 1060 CA VAL A 74 24.363 15.832 36.810 1.00 22.65 C ATOM 1061 C VAL A 74 23.758 16.637 37.950 1.00 22.61 C ATOM 1062 O VAL A 74 22.582 16.455 38.300 1.00 21.74 O ATOM 1063 CB VAL A 74 24.246 16.680 35.510 1.00 22.45 C ATOM 1064 CG1 VAL A 74 24.891 15.978 34.307 1.00 21.55 C ATOM 1065 CG2 VAL A 74 22.784 17.062 35.218 1.00 21.48 C ATOM 1066 HA VAL A 74 25.417 15.626 36.998 1.00 0.00 H ATOM 1067 HB VAL A 74 24.802 17.602 35.679 1.00 0.00 H ATOM 1068 HG11 VAL A 74 25.948 15.809 34.511 1.00 0.00 H ATOM 1069 HG12 VAL A 74 24.395 15.022 34.137 1.00 0.00 H ATOM 1070 HG13 VAL A 74 24.786 16.606 33.422 1.00 0.00 H ATOM 1071 HG21 VAL A 74 22.191 16.156 35.095 1.00 0.00 H ATOM 1072 HG22 VAL A 74 22.389 17.646 36.049 1.00 0.00 H ATOM 1073 HG23 VAL A 74 22.740 17.653 34.303 1.00 0.00 H ATOM 1074 H VAL A 74 22.687 14.450 36.784 1.00 0.00 H ATOM 1075 N GLN A 75 24.574 17.522 38.513 1.00 22.77 N ATOM 1076 CA GLN A 75 24.108 18.576 39.396 1.00 23.54 C ATOM 1077 C GLN A 75 23.910 19.832 38.541 1.00 22.90 C ATOM 1078 O GLN A 75 22.780 20.202 38.249 1.00 22.56 O ATOM 1079 CB GLN A 75 25.097 18.809 40.550 1.00 24.41 C ATOM 1080 CG GLN A 75 24.698 19.928 41.511 1.00 27.31 C ATOM 1081 CD GLN A 75 23.214 19.904 41.870 1.00 29.86 C ATOM 1082 OE1 GLN A 75 22.711 18.912 42.417 1.00 30.85 O ATOM 1083 NE2 GLN A 75 22.506 21.000 41.564 1.00 27.72 N ATOM 1084 HA GLN A 75 23.164 18.299 39.866 1.00 0.00 H ATOM 1085 HB2 GLN A 75 25.179 17.884 41.120 1.00 0.00 H ATOM 1086 HB3 GLN A 75 26.068 19.058 40.122 1.00 0.00 H ATOM 1087 HG2 GLN A 75 25.279 19.823 42.427 1.00 0.00 H ATOM 1088 HG3 GLN A 75 24.927 20.886 41.044 1.00 0.00 H ATOM 1089 HE22 GLN A 75 22.972 21.809 41.105 1.00 0.00 H ATOM 1090 HE21 GLN A 75 21.491 21.042 41.786 1.00 0.00 H ATOM 1091 H GLN A 75 25.592 17.457 38.312 1.00 0.00 H ATOM 1092 N GLU A 76 25.008 20.466 38.134 1.00 22.91 N ATOM 1093 CA GLU A 76 24.957 21.553 37.162 1.00 22.64 C ATOM 1094 C GLU A 76 25.547 21.099 35.827 1.00 21.78 C ATOM 1095 O GLU A 76 26.459 20.265 35.789 1.00 22.24 O ATOM 1096 CB GLU A 76 25.684 22.796 37.683 1.00 23.31 C ATOM 1097 CG GLU A 76 25.110 23.331 38.989 1.00 26.89 C ATOM 1098 CD GLU A 76 25.434 24.807 39.256 1.00 31.18 C ATOM 1099 OE1 GLU A 76 26.279 25.390 38.551 1.00 33.25 O ATOM 1100 OE2 GLU A 76 24.821 25.388 40.174 1.00 34.10 O ATOM 1101 HA GLU A 76 23.912 21.822 37.007 1.00 0.00 H ATOM 1102 HB2 GLU A 76 26.731 22.541 37.844 1.00 0.00 H ATOM 1103 HB3 GLU A 76 25.614 23.579 36.928 1.00 0.00 H ATOM 1104 HG2 GLU A 76 24.026 23.218 38.959 1.00 0.00 H ATOM 1105 HG3 GLU A 76 25.513 22.738 39.809 1.00 0.00 H ATOM 1106 H GLU A 76 25.929 20.178 38.521 1.00 0.00 H ATOM 1107 N TRP A 77 25.022 21.630 34.728 1.00 20.21 N ATOM 1108 CA TRP A 77 25.547 21.263 33.415 1.00 19.11 C ATOM 1109 C TRP A 77 25.289 22.334 32.361 1.00 18.24 C ATOM 1110 O TRP A 77 24.168 22.829 32.230 1.00 17.45 O ATOM 1111 CB TRP A 77 24.983 19.912 32.950 1.00 18.82 C ATOM 1112 CG TRP A 77 25.810 19.297 31.856 1.00 19.55 C ATOM 1113 CD1 TRP A 77 25.572 19.368 30.511 1.00 19.50 C ATOM 1114 CD2 TRP A 77 27.008 18.516 32.008 1.00 21.42 C ATOM 1115 NE1 TRP A 77 26.540 18.685 29.818 1.00 18.32 N ATOM 1116 CE2 TRP A 77 27.441 18.160 30.705 1.00 20.81 C ATOM 1117 CE3 TRP A 77 27.759 18.096 33.109 1.00 21.84 C ATOM 1118 CZ2 TRP A 77 28.591 17.389 30.477 1.00 21.60 C ATOM 1119 CZ3 TRP A 77 28.911 17.335 32.882 1.00 24.51 C ATOM 1120 CH2 TRP A 77 29.314 16.991 31.574 1.00 23.33 C ATOM 1121 HA TRP A 77 26.627 21.174 33.530 1.00 0.00 H ATOM 1122 HB2 TRP A 77 24.961 19.229 33.800 1.00 0.00 H ATOM 1123 HB3 TRP A 77 23.969 20.063 32.581 1.00 0.00 H ATOM 1124 HE1 TRP A 77 26.582 18.583 28.784 1.00 0.00 H ATOM 1125 HD1 TRP A 77 24.733 19.893 30.054 1.00 0.00 H ATOM 1126 HZ2 TRP A 77 28.899 17.117 29.467 1.00 0.00 H ATOM 1127 HH2 TRP A 77 30.217 16.398 31.432 1.00 0.00 H ATOM 1128 HZ3 TRP A 77 29.508 17.002 33.731 1.00 0.00 H ATOM 1129 HE3 TRP A 77 27.454 18.356 34.123 1.00 0.00 H ATOM 1130 H TRP A 77 24.237 22.308 34.803 1.00 0.00 H ATOM 1131 N GLN A 78 26.335 22.674 31.613 1.00 17.54 N ATOM 1132 CA GLN A 78 26.217 23.603 30.503 1.00 16.89 C ATOM 1133 C GLN A 78 25.643 22.848 29.307 1.00 16.11 C ATOM 1134 O GLN A 78 26.262 21.908 28.797 1.00 15.97 O ATOM 1135 CB GLN A 78 27.586 24.193 30.173 1.00 17.65 C ATOM 1136 CG GLN A 78 27.576 25.198 29.031 1.00 19.31 C ATOM 1137 CD GLN A 78 28.899 25.935 28.885 1.00 23.20 C ATOM 1138 OE1 GLN A 78 29.668 26.046 29.834 1.00 26.73 O ATOM 1139 NE2 GLN A 78 29.159 26.451 27.693 1.00 24.96 N ATOM 1140 HA GLN A 78 25.553 24.428 30.763 1.00 0.00 H ATOM 1141 HB2 GLN A 78 27.967 24.692 31.064 1.00 0.00 H ATOM 1142 HB3 GLN A 78 28.254 23.375 29.903 1.00 0.00 H ATOM 1143 HG2 GLN A 78 27.367 24.668 28.102 1.00 0.00 H ATOM 1144 HG3 GLN A 78 26.788 25.928 29.216 1.00 0.00 H ATOM 1145 HE22 GLN A 78 28.478 26.333 26.916 1.00 0.00 H ATOM 1146 HE21 GLN A 78 30.044 26.974 27.535 1.00 0.00 H ATOM 1147 H GLN A 78 27.265 22.262 31.830 1.00 0.00 H ATOM 1148 N LEU A 79 24.448 23.247 28.881 1.00 14.96 N ATOM 1149 CA LEU A 79 23.727 22.530 27.824 1.00 14.23 C ATOM 1150 C LEU A 79 24.235 22.874 26.415 1.00 14.11 C ATOM 1151 O LEU A 79 24.779 23.953 26.187 1.00 14.61 O ATOM 1152 CB LEU A 79 22.219 22.807 27.925 1.00 12.72 C ATOM 1153 CG LEU A 79 21.547 22.297 29.200 1.00 11.73 C ATOM 1154 CD1 LEU A 79 20.120 22.846 29.287 1.00 12.33 C ATOM 1155 CD2 LEU A 79 21.560 20.755 29.281 1.00 10.44 C ATOM 1156 HA LEU A 79 23.916 21.468 27.979 1.00 0.00 H ATOM 1157 HB2 LEU A 79 22.070 23.886 27.873 1.00 0.00 H ATOM 1158 HB3 LEU A 79 21.731 22.333 27.074 1.00 0.00 H ATOM 1159 HG LEU A 79 22.118 22.659 30.055 1.00 0.00 H ATOM 1160 HD21 LEU A 79 21.026 20.343 28.425 1.00 0.00 H ATOM 1161 HD22 LEU A 79 22.591 20.401 29.273 1.00 0.00 H ATOM 1162 HD23 LEU A 79 21.072 20.437 30.202 1.00 0.00 H ATOM 1163 HD11 LEU A 79 20.152 23.935 29.306 1.00 0.00 H ATOM 1164 HD12 LEU A 79 19.550 22.513 28.420 1.00 0.00 H ATOM 1165 HD13 LEU A 79 19.646 22.479 30.197 1.00 0.00 H ATOM 1166 H LEU A 79 24.013 24.090 29.309 1.00 0.00 H ATOM 1167 N ALA A 80 24.047 21.941 25.488 1.00 14.25 N ATOM 1168 CA ALA A 80 24.400 22.125 24.080 1.00 14.11 C ATOM 1169 C ALA A 80 23.258 21.626 23.218 1.00 14.09 C ATOM 1170 O ALA A 80 22.436 20.820 23.665 1.00 13.82 O ATOM 1171 CB ALA A 80 25.668 21.339 23.754 1.00 14.91 C ATOM 1172 HA ALA A 80 24.579 23.182 23.884 1.00 0.00 H ATOM 1173 HB1 ALA A 80 26.486 21.696 24.380 1.00 0.00 H ATOM 1174 HB2 ALA A 80 25.497 20.280 23.947 1.00 0.00 H ATOM 1175 HB3 ALA A 80 25.923 21.482 22.704 1.00 0.00 H ATOM 1176 H ALA A 80 23.628 21.034 25.778 1.00 0.00 H ATOM 1177 N ASP A 81 23.217 22.073 21.970 1.00 14.28 N ATOM 1178 CA ASP A 81 22.238 21.570 21.013 1.00 14.80 C ATOM 1179 C ASP A 81 22.213 20.034 20.988 1.00 16.01 C ATOM 1180 O ASP A 81 23.267 19.381 20.868 1.00 15.70 O ATOM 1181 CB ASP A 81 22.546 22.113 19.614 1.00 15.18 C ATOM 1182 CG ASP A 81 21.418 21.874 18.631 1.00 15.41 C ATOM 1183 OD1 ASP A 81 20.251 21.923 19.069 1.00 14.63 O ATOM 1184 OD2 ASP A 81 21.698 21.635 17.422 1.00 14.76 O ATOM 1185 HA ASP A 81 21.253 21.916 21.327 1.00 0.00 H ATOM 1186 HB2 ASP A 81 22.723 23.186 19.688 1.00 0.00 H ATOM 1187 HB3 ASP A 81 23.445 21.623 19.240 1.00 0.00 H ATOM 1188 H ASP A 81 23.898 22.798 21.667 1.00 0.00 H ATOM 1189 N GLY A 82 21.010 19.467 21.097 1.00 15.51 N ATOM 1190 CA GLY A 82 20.831 18.025 20.993 1.00 16.18 C ATOM 1191 C GLY A 82 20.928 17.247 22.295 1.00 16.38 C ATOM 1192 O GLY A 82 20.674 16.038 22.307 1.00 16.34 O ATOM 1193 HA3 GLY A 82 21.595 17.641 20.317 1.00 0.00 H ATOM 1194 HA2 GLY A 82 19.845 17.841 20.567 1.00 0.00 H ATOM 1195 H GLY A 82 20.179 20.070 21.260 1.00 0.00 H ATOM 1196 N ASP A 83 21.305 17.921 23.386 1.00 16.42 N ATOM 1197 CA ASP A 83 21.415 17.271 24.695 1.00 16.47 C ATOM 1198 C ASP A 83 20.049 16.719 25.080 1.00 16.24 C ATOM 1199 O ASP A 83 19.023 17.352 24.821 1.00 15.88 O ATOM 1200 CB ASP A 83 21.876 18.259 25.788 1.00 16.46 C ATOM 1201 CG ASP A 83 23.396 18.479 25.801 1.00 18.55 C ATOM 1202 OD1 ASP A 83 24.148 17.771 25.085 1.00 20.59 O ATOM 1203 OD2 ASP A 83 23.843 19.381 26.538 1.00 19.80 O ATOM 1204 HA ASP A 83 22.157 16.476 24.620 1.00 0.00 H ATOM 1205 HB2 ASP A 83 21.388 19.218 25.617 1.00 0.00 H ATOM 1206 HB3 ASP A 83 21.574 17.868 26.759 1.00 0.00 H ATOM 1207 H ASP A 83 21.526 18.934 23.304 1.00 0.00 H ATOM 1208 N VAL A 84 20.051 15.542 25.693 1.00 15.92 N ATOM 1209 CA VAL A 84 18.831 14.887 26.156 1.00 16.01 C ATOM 1210 C VAL A 84 18.782 14.908 27.685 1.00 15.46 C ATOM 1211 O VAL A 84 19.615 14.289 28.364 1.00 15.67 O ATOM 1212 CB VAL A 84 18.714 13.429 25.627 1.00 16.54 C ATOM 1213 CG1 VAL A 84 17.406 12.786 26.101 1.00 17.51 C ATOM 1214 CG2 VAL A 84 18.810 13.388 24.094 1.00 16.95 C ATOM 1215 HA VAL A 84 17.981 15.441 25.757 1.00 0.00 H ATOM 1216 HB VAL A 84 19.548 12.857 26.033 1.00 0.00 H ATOM 1217 HG11 VAL A 84 17.385 12.770 27.191 1.00 0.00 H ATOM 1218 HG12 VAL A 84 16.562 13.366 25.729 1.00 0.00 H ATOM 1219 HG13 VAL A 84 17.345 11.767 25.720 1.00 0.00 H ATOM 1220 HG21 VAL A 84 18.003 13.981 23.665 1.00 0.00 H ATOM 1221 HG22 VAL A 84 19.770 13.798 23.780 1.00 0.00 H ATOM 1222 HG23 VAL A 84 18.725 12.356 23.753 1.00 0.00 H ATOM 1223 H VAL A 84 20.962 15.065 25.851 1.00 0.00 H ATOM 1224 N ILE A 85 17.797 15.621 28.217 1.00 14.87 N ATOM 1225 CA ILE A 85 17.610 15.730 29.656 1.00 15.01 C ATOM 1226 C ILE A 85 16.550 14.716 30.069 1.00 15.75 C ATOM 1227 O ILE A 85 15.456 14.682 29.496 1.00 15.55 O ATOM 1228 CB ILE A 85 17.134 17.159 30.068 1.00 14.44 C ATOM 1229 CG1 ILE A 85 18.111 18.237 29.567 1.00 13.76 C ATOM 1230 CG2 ILE A 85 16.943 17.268 31.588 1.00 13.71 C ATOM 1231 CD1 ILE A 85 17.471 19.633 29.536 1.00 15.02 C ATOM 1232 HA ILE A 85 18.562 15.539 30.152 1.00 0.00 H ATOM 1233 HB ILE A 85 16.168 17.329 29.594 1.00 0.00 H ATOM 1234 HG12 ILE A 85 18.976 18.262 30.230 1.00 0.00 H ATOM 1235 HG13 ILE A 85 18.434 17.977 28.559 1.00 0.00 H ATOM 1236 HD11 ILE A 85 16.609 19.621 28.869 1.00 0.00 H ATOM 1237 HD12 ILE A 85 17.151 19.907 30.541 1.00 0.00 H ATOM 1238 HD13 ILE A 85 18.201 20.358 29.175 1.00 0.00 H ATOM 1239 HG21 ILE A 85 16.193 16.546 31.911 1.00 0.00 H ATOM 1240 HG22 ILE A 85 17.889 17.060 32.088 1.00 0.00 H ATOM 1241 HG23 ILE A 85 16.611 18.275 31.840 1.00 0.00 H ATOM 1242 H ILE A 85 17.137 16.118 27.585 1.00 0.00 H ATOM 1243 N ARG A 86 16.871 13.892 31.056 1.00 16.09 N ATOM 1244 CA ARG A 86 15.886 12.952 31.577 1.00 17.46 C ATOM 1245 C ARG A 86 15.534 13.294 33.007 1.00 16.63 C ATOM 1246 O ARG A 86 16.417 13.531 33.836 1.00 16.91 O ATOM 1247 CB ARG A 86 16.370 11.510 31.432 1.00 18.44 C ATOM 1248 CG ARG A 86 16.556 11.113 29.975 1.00 22.90 C ATOM 1249 CD ARG A 86 17.074 9.686 29.815 1.00 30.48 C ATOM 1250 NE ARG A 86 17.278 9.335 28.405 1.00 34.35 N ATOM 1251 CZ ARG A 86 18.338 9.681 27.677 1.00 36.11 C ATOM 1252 NH1 ARG A 86 19.313 10.407 28.204 1.00 36.76 N ATOM 1253 NH2 ARG A 86 18.420 9.297 26.408 1.00 38.12 N ATOM 1254 HA ARG A 86 14.975 13.039 30.985 1.00 0.00 H ATOM 1255 HB2 ARG A 86 17.323 11.405 31.950 1.00 0.00 H ATOM 1256 HB3 ARG A 86 15.636 10.845 31.887 1.00 0.00 H ATOM 1257 HG2 ARG A 86 15.596 11.195 29.466 1.00 0.00 H ATOM 1258 HG3 ARG A 86 17.269 11.797 29.515 1.00 0.00 H ATOM 1259 HD2 ARG A 86 16.350 8.997 30.249 1.00 0.00 H ATOM 1260 HD3 ARG A 86 18.023 9.594 30.343 1.00 0.00 H ATOM 1261 HE ARG A 86 16.538 8.773 27.938 1.00 0.00 H ATOM 1262 HH12 ARG A 86 20.136 10.671 27.625 1.00 0.00 H ATOM 1263 HH11 ARG A 86 19.255 10.713 29.196 1.00 0.00 H ATOM 1264 HH22 ARG A 86 19.246 9.565 25.836 1.00 0.00 H ATOM 1265 HH21 ARG A 86 17.658 8.728 25.987 1.00 0.00 H ATOM 1266 H ARG A 86 17.829 13.916 31.460 1.00 0.00 H ATOM 1267 N LEU A 87 14.231 13.385 33.261 1.00 16.76 N ATOM 1268 CA LEU A 87 13.684 13.699 34.590 1.00 16.70 C ATOM 1269 C LEU A 87 12.379 12.915 34.767 1.00 16.78 C ATOM 1270 O LEU A 87 11.511 12.948 33.892 1.00 15.78 O ATOM 1271 CB LEU A 87 13.454 15.211 34.755 1.00 16.48 C ATOM 1272 CG LEU A 87 12.436 15.972 33.892 1.00 17.75 C ATOM 1273 CD1 LEU A 87 12.250 17.365 34.478 1.00 16.27 C ATOM 1274 CD2 LEU A 87 12.883 16.051 32.430 1.00 17.40 C ATOM 1275 HA LEU A 87 14.397 13.407 35.361 1.00 0.00 H ATOM 1276 HB2 LEU A 87 13.153 15.364 35.791 1.00 0.00 H ATOM 1277 HB3 LEU A 87 14.419 15.688 34.584 1.00 0.00 H ATOM 1278 HG LEU A 87 11.487 15.435 33.902 1.00 0.00 H ATOM 1279 HD21 LEU A 87 13.840 16.570 32.372 1.00 0.00 H ATOM 1280 HD22 LEU A 87 12.989 15.043 32.029 1.00 0.00 H ATOM 1281 HD23 LEU A 87 12.137 16.596 31.852 1.00 0.00 H ATOM 1282 HD11 LEU A 87 11.882 17.281 35.501 1.00 0.00 H ATOM 1283 HD12 LEU A 87 13.206 17.889 34.476 1.00 0.00 H ATOM 1284 HD13 LEU A 87 11.529 17.918 33.876 1.00 0.00 H ATOM 1285 H LEU A 87 13.564 13.226 32.479 1.00 0.00 H ATOM 1286 N GLY A 88 12.255 12.201 35.883 1.00 17.15 N ATOM 1287 CA GLY A 88 11.169 11.243 36.054 1.00 18.55 C ATOM 1288 C GLY A 88 11.262 10.189 34.960 1.00 18.98 C ATOM 1289 O GLY A 88 12.306 9.543 34.798 1.00 18.96 O ATOM 1290 HA3 GLY A 88 10.211 11.759 35.984 1.00 0.00 H ATOM 1291 HA2 GLY A 88 11.253 10.765 37.030 1.00 0.00 H ATOM 1292 H GLY A 88 12.947 12.329 36.649 1.00 0.00 H ATOM 1293 N HIS A 89 10.191 10.041 34.185 1.00 19.82 N ATOM 1294 CA HIS A 89 10.222 9.173 32.991 1.00 21.39 C ATOM 1295 C HIS A 89 10.150 10.002 31.713 1.00 20.76 C ATOM 1296 O HIS A 89 9.864 9.463 30.636 1.00 21.11 O ATOM 1297 CB HIS A 89 9.078 8.145 32.953 1.00 22.68 C ATOM 1298 CG HIS A 89 8.434 7.876 34.271 1.00 26.21 C ATOM 1299 ND1 HIS A 89 8.834 6.850 35.100 1.00 29.28 N ATOM 1300 CD2 HIS A 89 7.385 8.474 34.887 1.00 28.55 C ATOM 1301 CE1 HIS A 89 8.072 6.842 36.180 1.00 31.07 C ATOM 1302 NE2 HIS A 89 7.186 7.818 36.076 1.00 31.45 N ATOM 1303 HA HIS A 89 11.167 8.634 33.054 1.00 0.00 H ATOM 1304 HB2 HIS A 89 8.313 8.514 32.270 1.00 0.00 H ATOM 1305 HB3 HIS A 89 9.479 7.205 32.573 1.00 0.00 H ATOM 1306 HD2 HIS A 89 6.808 9.318 34.509 1.00 0.00 H ATOM 1307 HE1 HIS A 89 8.159 6.148 37.016 1.00 0.00 H ATOM 1308 H HIS A 89 9.314 10.547 34.425 1.00 0.00 H ATOM 1309 N SER A 90 10.405 11.305 31.835 1.00 19.22 N ATOM 1310 CA SER A 90 10.291 12.221 30.712 1.00 19.00 C ATOM 1311 C SER A 90 11.642 12.538 30.098 1.00 18.28 C ATOM 1312 O SER A 90 12.655 12.574 30.805 1.00 18.12 O ATOM 1313 CB SER A 90 9.643 13.535 31.155 1.00 18.49 C ATOM 1314 OG SER A 90 8.303 13.326 31.570 1.00 20.34 O ATOM 1315 HA SER A 90 9.671 11.724 29.965 1.00 0.00 H ATOM 1316 HB2 SER A 90 9.653 14.237 30.321 1.00 0.00 H ATOM 1317 HB3 SER A 90 10.213 13.952 31.986 1.00 0.00 H ATOM 1318 HG SER A 90 8.289 12.692 32.330 1.00 0.00 H ATOM 1319 H SER A 90 10.694 11.677 32.762 1.00 0.00 H ATOM 1320 N GLU A 91 11.638 12.797 28.789 1.00 17.56 N ATOM 1321 CA GLU A 91 12.835 13.256 28.080 1.00 17.87 C ATOM 1322 C GLU A 91 12.585 14.559 27.372 1.00 16.78 C ATOM 1323 O GLU A 91 11.539 14.747 26.749 1.00 16.57 O ATOM 1324 CB GLU A 91 13.320 12.219 27.078 1.00 18.58 C ATOM 1325 CG GLU A 91 13.692 10.915 27.747 1.00 22.88 C ATOM 1326 CD GLU A 91 14.333 9.923 26.808 1.00 27.01 C ATOM 1327 OE1 GLU A 91 14.123 10.020 25.582 1.00 29.47 O ATOM 1328 OE2 GLU A 91 15.045 9.030 27.310 1.00 30.57 O ATOM 1329 HA GLU A 91 13.609 13.406 28.832 1.00 0.00 H ATOM 1330 HB2 GLU A 91 12.527 12.030 26.355 1.00 0.00 H ATOM 1331 HB3 GLU A 91 14.195 12.612 26.561 1.00 0.00 H ATOM 1332 HG2 GLU A 91 14.391 11.128 28.556 1.00 0.00 H ATOM 1333 HG3 GLU A 91 12.788 10.467 28.159 1.00 0.00 H ATOM 1334 H GLU A 91 10.755 12.669 28.254 1.00 0.00 H ATOM 1335 N ILE A 92 13.552 15.463 27.501 1.00 15.96 N ATOM 1336 CA ILE A 92 13.491 16.777 26.887 1.00 15.01 C ATOM 1337 C ILE A 92 14.732 16.933 26.007 1.00 14.84 C ATOM 1338 O ILE A 92 15.858 16.760 26.478 1.00 14.39 O ATOM 1339 CB ILE A 92 13.475 17.893 27.963 1.00 14.87 C ATOM 1340 CG1 ILE A 92 12.119 17.926 28.676 1.00 15.67 C ATOM 1341 CG2 ILE A 92 13.788 19.254 27.342 1.00 13.31 C ATOM 1342 CD1 ILE A 92 12.109 18.816 29.920 1.00 18.31 C ATOM 1343 HA ILE A 92 12.577 16.867 26.300 1.00 0.00 H ATOM 1344 HB ILE A 92 14.249 17.671 28.697 1.00 0.00 H ATOM 1345 HG12 ILE A 92 11.370 18.299 27.978 1.00 0.00 H ATOM 1346 HG13 ILE A 92 11.861 16.910 28.975 1.00 0.00 H ATOM 1347 HD11 ILE A 92 12.846 18.449 30.634 1.00 0.00 H ATOM 1348 HD12 ILE A 92 12.355 19.839 29.635 1.00 0.00 H ATOM 1349 HD13 ILE A 92 11.118 18.792 30.374 1.00 0.00 H ATOM 1350 HG21 ILE A 92 14.776 19.224 26.882 1.00 0.00 H ATOM 1351 HG22 ILE A 92 13.040 19.487 26.584 1.00 0.00 H ATOM 1352 HG23 ILE A 92 13.770 20.019 28.118 1.00 0.00 H ATOM 1353 H ILE A 92 14.389 15.218 28.067 1.00 0.00 H ATOM 1354 N ILE A 93 14.517 17.220 24.729 1.00 15.07 N ATOM 1355 CA ILE A 93 15.616 17.482 23.802 1.00 15.54 C ATOM 1356 C ILE A 93 15.895 18.981 23.758 1.00 15.14 C ATOM 1357 O ILE A 93 14.971 19.786 23.584 1.00 14.38 O ATOM 1358 CB ILE A 93 15.298 16.960 22.388 1.00 16.69 C ATOM 1359 CG1 ILE A 93 15.122 15.436 22.411 1.00 17.98 C ATOM 1360 CG2 ILE A 93 16.414 17.349 21.385 1.00 16.51 C ATOM 1361 CD1 ILE A 93 14.236 14.915 21.298 1.00 20.37 C ATOM 1362 HA ILE A 93 16.500 16.953 24.158 1.00 0.00 H ATOM 1363 HB ILE A 93 14.367 17.423 22.060 1.00 0.00 H ATOM 1364 HG12 ILE A 93 16.104 14.973 22.316 1.00 0.00 H ATOM 1365 HG13 ILE A 93 14.679 15.154 23.366 1.00 0.00 H ATOM 1366 HD11 ILE A 93 13.245 15.361 21.385 1.00 0.00 H ATOM 1367 HD12 ILE A 93 14.671 15.180 20.335 1.00 0.00 H ATOM 1368 HD13 ILE A 93 14.156 13.831 21.376 1.00 0.00 H ATOM 1369 HG21 ILE A 93 16.502 18.435 21.345 1.00 0.00 H ATOM 1370 HG22 ILE A 93 17.361 16.918 21.712 1.00 0.00 H ATOM 1371 HG23 ILE A 93 16.161 16.967 20.396 1.00 0.00 H ATOM 1372 H ILE A 93 13.539 17.260 24.377 1.00 0.00 H ATOM 1373 N VAL A 94 17.166 19.348 23.932 1.00 14.59 N ATOM 1374 CA VAL A 94 17.568 20.753 23.865 1.00 14.86 C ATOM 1375 C VAL A 94 17.832 21.145 22.413 1.00 15.44 C ATOM 1376 O VAL A 94 18.597 20.488 21.707 1.00 15.03 O ATOM 1377 CB VAL A 94 18.817 21.038 24.724 1.00 14.44 C ATOM 1378 CG1 VAL A 94 19.207 22.532 24.648 1.00 14.75 C ATOM 1379 CG2 VAL A 94 18.556 20.628 26.169 1.00 14.35 C ATOM 1380 HA VAL A 94 16.751 21.352 24.267 1.00 0.00 H ATOM 1381 HB VAL A 94 19.649 20.452 24.334 1.00 0.00 H ATOM 1382 HG11 VAL A 94 19.424 22.797 23.613 1.00 0.00 H ATOM 1383 HG12 VAL A 94 18.381 23.141 25.015 1.00 0.00 H ATOM 1384 HG13 VAL A 94 20.090 22.707 25.262 1.00 0.00 H ATOM 1385 HG21 VAL A 94 17.712 21.197 26.560 1.00 0.00 H ATOM 1386 HG22 VAL A 94 18.327 19.563 26.207 1.00 0.00 H ATOM 1387 HG23 VAL A 94 19.443 20.832 26.769 1.00 0.00 H ATOM 1388 H VAL A 94 17.885 18.621 24.119 1.00 0.00 H ATOM 1389 N ARG A 95 17.173 22.215 21.979 1.00 15.55 N ATOM 1390 CA ARG A 95 17.323 22.724 20.628 1.00 16.43 C ATOM 1391 C ARG A 95 17.886 24.136 20.733 1.00 16.40 C ATOM 1392 O ARG A 95 17.168 25.079 21.048 1.00 16.04 O ATOM 1393 CB ARG A 95 15.981 22.690 19.892 1.00 16.80 C ATOM 1394 CG ARG A 95 15.324 21.330 19.978 1.00 19.54 C ATOM 1395 CD ARG A 95 14.279 21.158 18.952 1.00 25.12 C ATOM 1396 NE ARG A 95 14.861 21.200 17.613 1.00 28.71 N ATOM 1397 CZ ARG A 95 14.200 20.884 16.511 1.00 29.42 C ATOM 1398 NH1 ARG A 95 12.931 20.499 16.594 1.00 31.94 N ATOM 1399 NH2 ARG A 95 14.799 20.961 15.335 1.00 29.15 N ATOM 1400 HA ARG A 95 18.006 22.104 20.047 1.00 0.00 H ATOM 1401 HB2 ARG A 95 15.317 23.431 20.336 1.00 0.00 H ATOM 1402 HB3 ARG A 95 16.148 22.935 18.843 1.00 0.00 H ATOM 1403 HG2 ARG A 95 16.084 20.562 19.839 1.00 0.00 H ATOM 1404 HG3 ARG A 95 14.872 21.218 20.964 1.00 0.00 H ATOM 1405 HD2 ARG A 95 13.546 21.959 19.049 1.00 0.00 H ATOM 1406 HD3 ARG A 95 13.787 20.197 19.099 1.00 0.00 H ATOM 1407 HE ARG A 95 15.854 21.496 17.520 1.00 0.00 H ATOM 1408 HH12 ARG A 95 12.406 20.249 15.732 1.00 0.00 H ATOM 1409 HH11 ARG A 95 12.463 20.447 17.521 1.00 0.00 H ATOM 1410 HH22 ARG A 95 14.279 20.713 14.469 1.00 0.00 H ATOM 1411 HH21 ARG A 95 15.790 21.270 15.276 1.00 0.00 H ATOM 1412 H ARG A 95 16.527 22.705 22.631 1.00 0.00 H ATOM 1413 N MET A 96 19.189 24.250 20.487 1.00 16.57 N ATOM 1414 CA MET A 96 19.931 25.483 20.715 1.00 17.67 C ATOM 1415 C MET A 96 20.590 25.890 19.399 1.00 17.68 C ATOM 1416 O MET A 96 21.514 25.237 18.921 1.00 18.06 O ATOM 1417 CB MET A 96 20.966 25.259 21.837 1.00 17.50 C ATOM 1418 CG MET A 96 21.929 26.413 22.095 1.00 21.06 C ATOM 1419 SD MET A 96 23.142 26.035 23.398 1.00 27.30 S ATOM 1420 CE MET A 96 22.052 25.452 24.670 1.00 22.81 C ATOM 1421 HA MET A 96 19.272 26.289 21.038 1.00 0.00 H ATOM 1422 HB2 MET A 96 20.421 25.066 22.761 1.00 0.00 H ATOM 1423 HB3 MET A 96 21.558 24.382 21.576 1.00 0.00 H ATOM 1424 HG2 MET A 96 21.353 27.288 22.397 1.00 0.00 H ATOM 1425 HG3 MET A 96 22.465 26.634 21.172 1.00 0.00 H ATOM 1426 HE1 MET A 96 21.348 26.242 24.934 1.00 0.00 H ATOM 1427 HE2 MET A 96 21.505 24.582 24.307 1.00 0.00 H ATOM 1428 HE3 MET A 96 22.636 25.175 25.548 1.00 0.00 H ATOM 1429 H MET A 96 19.700 23.423 20.116 1.00 0.00 H ATOM 1430 N HIS A 97 20.099 26.967 18.807 1.00 18.22 N ATOM 1431 CA HIS A 97 20.469 27.305 17.447 1.00 18.99 C ATOM 1432 C HIS A 97 20.820 28.781 17.324 1.00 20.55 C ATOM 1433 O HIS A 97 20.001 29.645 17.665 1.00 20.35 O ATOM 1434 CB HIS A 97 19.332 26.971 16.484 1.00 18.44 C ATOM 1435 CG HIS A 97 18.870 25.553 16.558 1.00 17.85 C ATOM 1436 ND1 HIS A 97 17.591 25.199 16.939 1.00 18.37 N ATOM 1437 CD2 HIS A 97 19.521 24.397 16.308 1.00 15.65 C ATOM 1438 CE1 HIS A 97 17.477 23.883 16.913 1.00 16.50 C ATOM 1439 NE2 HIS A 97 18.632 23.373 16.526 1.00 16.51 N ATOM 1440 HA HIS A 97 21.347 26.714 17.188 1.00 0.00 H ATOM 1441 HB2 HIS A 97 18.487 27.620 16.713 1.00 0.00 H ATOM 1442 HB3 HIS A 97 19.674 27.168 15.468 1.00 0.00 H ATOM 1443 HD2 HIS A 97 20.559 24.295 15.992 1.00 0.00 H ATOM 1444 HE1 HIS A 97 16.582 23.315 17.168 1.00 0.00 H ATOM 1445 H HIS A 97 19.438 27.580 19.325 1.00 0.00 H ATOM 1446 N PRO A 98 22.032 29.073 16.827 1.00 21.93 N ATOM 1447 CA PRO A 98 22.411 30.457 16.539 1.00 23.44 C ATOM 1448 C PRO A 98 21.617 31.009 15.359 1.00 24.95 C ATOM 1449 O PRO A 98 21.285 30.263 14.424 1.00 24.93 O ATOM 1450 CB PRO A 98 23.886 30.335 16.162 1.00 24.02 C ATOM 1451 CG PRO A 98 24.015 28.962 15.608 1.00 23.50 C ATOM 1452 CD PRO A 98 23.112 28.128 16.486 1.00 22.04 C ATOM 1453 HA PRO A 98 22.222 31.131 17.375 1.00 0.00 H ATOM 1454 HD3 PRO A 98 22.724 27.265 15.945 1.00 0.00 H ATOM 1455 HD2 PRO A 98 23.636 27.789 17.380 1.00 0.00 H ATOM 1456 HG3 PRO A 98 25.046 28.614 15.670 1.00 0.00 H ATOM 1457 HG2 PRO A 98 23.684 28.930 14.570 1.00 0.00 H ATOM 1458 HB2 PRO A 98 24.156 31.080 15.413 1.00 0.00 H ATOM 1459 HB3 PRO A 98 24.520 30.458 17.040 1.00 0.00 H ATOM 1460 N LEU A 99 21.301 32.298 15.401 1.00 26.64 N ATOM 1461 CA LEU A 99 20.640 32.924 14.265 1.00 28.82 C ATOM 1462 C LEU A 99 21.686 33.330 13.238 1.00 29.83 C ATOM 1463 O LEU A 99 21.565 32.988 12.054 1.00 31.27 O ATOM 1464 CB LEU A 99 19.781 34.123 14.683 1.00 29.98 C ATOM 1465 CG LEU A 99 18.781 34.032 15.848 1.00 30.97 C ATOM 1466 CD1 LEU A 99 17.950 35.321 15.913 1.00 34.16 C ATOM 1467 CD2 LEU A 99 17.845 32.834 15.786 1.00 32.79 C ATOM 1468 HA LEU A 99 19.958 32.198 13.822 1.00 0.00 H ATOM 1469 HB2 LEU A 99 20.475 34.925 14.936 1.00 0.00 H ATOM 1470 HB3 LEU A 99 19.203 34.408 13.804 1.00 0.00 H ATOM 1471 HG LEU A 99 19.383 33.899 16.747 1.00 0.00 H ATOM 1472 HD21 LEU A 99 17.259 32.879 14.868 1.00 0.00 H ATOM 1473 HD22 LEU A 99 18.431 31.915 15.799 1.00 0.00 H ATOM 1474 HD23 LEU A 99 17.176 32.852 16.647 1.00 0.00 H ATOM 1475 HD11 LEU A 99 18.613 36.172 16.069 1.00 0.00 H ATOM 1476 HD12 LEU A 99 17.407 35.449 14.977 1.00 0.00 H ATOM 1477 HD13 LEU A 99 17.242 35.254 16.739 1.00 0.00 H ATOM 1478 H LEU A 99 21.526 32.861 16.246 1.00 0.00 H TER 1479 LEU A 99 HETATM 1480 ZN ZN A 1 19.886 21.607 16.451 1.00 15.32 ZN HETATM 1481 O HOH 2 29.091 24.062 39.581 1.00 44.56 O HETATM 1482 O HOH 3 27.827 20.336 39.055 1.00 37.05 O HETATM 1483 O HOH 4 8.548 28.662 39.160 1.00 39.14 O HETATM 1484 O HOH 5 16.309 15.091 18.144 1.00 28.47 O HETATM 1485 O HOH 6 13.406 37.208 31.512 1.00 14.60 O HETATM 1486 O HOH 7 27.647 11.646 36.004 1.00 31.29 O HETATM 1487 O HOH 8 -0.127 26.589 36.670 1.00 44.01 O HETATM 1488 O HOH 9 25.343 27.727 20.896 1.00 29.33 O HETATM 1489 O HOH 10 16.471 10.977 22.200 1.00 43.72 O HETATM 1490 O HOH 11 23.088 38.315 29.319 1.00 35.49 O HETATM 1491 O HOH 12 11.320 31.294 37.447 1.00 36.50 O HETATM 1492 O HOH 13 6.854 27.694 22.451 1.00 42.94 O HETATM 1493 O HOH 14 26.670 14.614 31.386 1.00 45.11 O HETATM 1494 O HOH 15 10.300 3.066 39.639 1.00 41.71 O HETATM 1495 O HOH 16 8.825 21.882 45.725 1.00 30.50 O HETATM 1496 O HOH 17 23.107 16.427 42.002 1.00 48.63 O HETATM 1497 O HOH 18 18.149 11.826 46.323 1.00 49.07 O HETATM 1498 O HOH 19 -0.088 21.522 26.525 1.00 33.73 O HETATM 1499 O HOH 20 5.583 29.320 30.736 1.00 28.59 O HETATM 1500 O HOH 21 25.756 7.230 33.050 1.00 46.16 O HETATM 1501 O HOH 22 8.289 4.401 36.479 1.00 8.70 O HETATM 1502 O HOH 23 19.553 12.000 29.815 1.00 8.12 O HETATM 1503 O HOH 24 22.605 13.903 22.942 1.00 42.17 O HETATM 1504 O HOH 25 -0.271 21.697 23.552 1.00 49.55 O HETATM 1505 O HOH 26 10.554 21.646 18.553 1.00 30.49 O HETATM 1506 O HOH 27 -2.945 21.890 48.199 1.00 37.90 O HETATM 1507 O HOH 28 8.086 12.753 20.748 1.00 43.80 O HETATM 1508 O HOH 29 5.810 31.470 34.109 1.00 34.64 O HETATM 1509 O HOH 30 12.495 7.929 29.631 1.00 47.14 O HETATM 1510 O HOH 31 8.294 19.072 18.858 1.00 45.16 O HETATM 1511 O HOH 32 22.527 35.214 11.052 1.00 24.42 O HETATM 1512 O HOH 33 20.795 14.591 39.417 1.00 12.79 O HETATM 1513 O HOH 34 10.952 9.616 20.492 1.00 50.14 O HETATM 1514 O HOH 35 3.295 29.329 32.119 1.00 54.69 O HETATM 1515 O HOH 36 17.773 26.999 43.567 1.00 45.75 O HETATM 1516 O HOH 37 4.784 13.471 29.653 1.00 40.68 O HETATM 1517 O HOH 38 14.366 11.875 37.608 1.00 15.88 O HETATM 1518 O HOH 39 22.191 37.579 15.114 1.00 33.62 O HETATM 1519 O HOH 40 11.820 33.506 32.943 1.00 34.23 O HETATM 1520 O HOH 41 13.608 34.544 38.349 1.00 50.70 O HETATM 1521 O HOH 42 26.745 17.371 24.660 1.00 23.42 O HETATM 1522 O HOH 43 8.284 30.909 21.356 1.00 43.85 O HETATM 1523 O HOH 44 -0.940 21.129 45.148 1.00 38.79 O HETATM 1524 O HOH 45 23.547 38.845 6.628 1.00 42.08 O HETATM 1525 O HOH 46 11.535 23.976 18.497 1.00 40.70 O HETATM 1526 O HOH 47 6.769 23.540 45.048 1.00 37.22 O HETATM 1527 O HOH 48 9.781 10.527 26.722 1.00 41.74 O HETATM 1528 O HOH 49 2.597 27.778 29.511 1.00 33.69 O HETATM 1529 O HOH 50 0.991 22.118 35.980 1.00 40.15 O HETATM 1530 O HOH 51 27.162 27.457 25.370 1.00 38.77 O HETATM 1531 O HOH 52 27.699 8.630 34.315 1.00 35.84 O HETATM 1532 O HOH 53 12.474 12.638 18.311 1.00 43.36 O HETATM 1533 O HOH 54 21.037 25.965 41.671 1.00 38.70 O HETATM 1534 O HOH 55 -2.217 24.505 46.054 1.00 33.91 O HETATM 1535 O HOH 56 20.666 16.201 45.442 1.00 41.34 O HETATM 1536 O HOH 57 15.772 7.563 25.278 1.00 52.32 O HETATM 1537 O HOH 58 20.534 23.586 42.876 1.00 49.82 O HETATM 1538 O HOH 59 25.564 12.750 23.681 1.00 39.30 O HETATM 1539 O HOH 60 14.532 9.465 36.797 1.00 37.55 O HETATM 1540 O HOH 61 21.923 20.855 49.108 1.00 37.60 O HETATM 1541 O HOH 62 18.244 10.492 43.251 1.00 47.79 O HETATM 1542 O HOH 63 13.197 21.339 44.527 1.00 32.13 O HETATM 1543 O HOH 64 17.942 12.428 20.738 1.00 34.37 O HETATM 1544 O HOH 65 11.982 25.678 47.004 1.00 43.02 O HETATM 1545 O HOH 66 0.078 29.452 37.509 1.00 48.04 O HETATM 1546 O HOH 67 30.876 24.408 31.740 1.00 51.50 O HETATM 1547 O HOH 68 14.102 7.224 21.292 1.00 53.05 O HETATM 1548 O HOH 69 28.304 24.677 34.707 1.00 44.70 O HETATM 1549 O HOH 70 -1.126 28.401 33.229 1.00 45.47 O HETATM 1550 O HOH 71 31.758 27.298 27.387 1.00 13.96 O HETATM 1551 O HOH 72 24.207 25.648 19.330 1.00 13.25 O HETATM 1552 O HOH 73 11.447 28.310 46.026 1.00 49.86 O HETATM 1553 O HOH 74 -0.133 30.854 43.653 1.00 47.01 O HETATM 1554 O HOH 75 5.196 28.149 26.775 1.00 36.28 O HETATM 1555 O HOH 76 25.821 6.666 30.073 1.00 54.85 O HETATM 1556 O HOH 77 17.657 23.484 45.115 1.00 38.07 O HETATM 1557 O HOH 78 12.037 3.335 35.266 1.00 47.33 O HETATM 1558 O HOH 79 28.442 25.308 41.970 1.00 57.55 O HETATM 1559 O HOH 80 3.801 2.314 36.151 1.00 68.33 O HETATM 1560 O HOH 81 24.568 34.137 15.867 1.00 47.60 O HETATM 1561 O HOH 82 -1.875 23.011 43.024 1.00 46.75 O HETATM 1562 O HOH 83 13.863 31.930 17.414 1.00 53.86 O HETATM 1563 O HOH 84 10.083 36.175 27.930 1.00 47.73 O HETATM 1564 O HOH 85 23.457 23.569 41.747 1.00 40.71 O HETATM 1565 O HOH 86 8.401 2.215 35.162 1.00 61.53 O HETATM 1566 O HOH 87 26.804 37.368 22.647 1.00 70.47 O HETATM 1567 O HOH 88 17.200 29.097 41.865 1.00 52.46 O HETATM 1568 O HOH 89 15.687 7.281 37.971 1.00 44.57 O HETATM 1569 O HOH 90 18.711 34.607 18.810 1.00 52.77 O HETATM 1570 O HOH 91 13.316 19.223 43.416 1.00 55.28 O HETATM 1571 O HOH 92 7.645 27.808 43.403 1.00 48.94 O HETATM 1572 O HOH 93 2.149 21.712 21.517 1.00 53.06 O HETATM 1573 O HOH 94 20.052 13.024 42.517 1.00 54.92 O HETATM 1574 O HOH 95 20.869 10.025 25.774 1.00 57.45 O HETATM 1575 O HOH 96 13.555 30.392 20.244 1.00 61.76 O HETATM 1576 O HOH 97 3.868 26.635 45.427 1.00 57.71 O HETATM 1577 O HOH 98 13.682 29.912 45.325 1.00 55.87 O HETATM 1578 O HOH 99 8.186 35.226 32.312 1.00 54.84 O HETATM 1579 O HOH 100 12.007 13.894 41.094 1.00 6.17 O HETATM 1580 O HOH 101 33.041 27.277 30.145 1.00 56.10 O HETATM 1581 O HOH 102 5.786 21.248 17.853 1.00 62.05 O HETATM 1582 O HOH 103 8.474 33.256 37.568 1.00 57.79 O HETATM 1583 O HOH 104 4.887 22.857 43.409 1.00 64.42 O HETATM 1584 O HOH 105 12.207 33.796 24.955 1.00 57.30 O HETATM 1585 O HOH 106 8.247 14.684 18.964 1.00 60.65 O HETATM 1586 O HOH 107 27.952 8.002 36.851 1.00 55.37 O HETATM 1587 O HOH 108 18.770 20.067 16.795 1.00 14.01 O HETATM 1588 O HOH 109 5.916 10.658 30.725 1.00 54.93 O HETATM 1589 O HOH 110 13.726 24.073 17.052 1.00 61.11 O HETATM 1590 O HOH 111 3.137 16.599 28.596 1.00 30.06 O HETATM 1591 O HOH 112 5.727 30.625 27.972 1.00 62.52 O HETATM 1592 O HOH 113 18.829 37.447 18.223 1.00 65.88 O HETATM 1593 O HOH 114 -2.031 27.951 39.888 1.00 67.24 O HETATM 1594 O HOH 115 19.073 22.082 46.853 1.00 70.13 O HETATM 1595 O HOH 116 20.817 36.474 37.633 1.00 65.16 O HETATM 1596 O HOH 117 16.907 9.303 33.659 1.00 61.84 O HETATM 1597 O HOH 118 23.428 17.953 18.123 1.00 58.47 O HETATM 1598 O HOH 119 24.032 37.821 25.598 1.00 58.05 O HETATM 1599 O HOH 120 11.739 6.206 24.299 1.00 74.56 O HETATM 1600 O HOH 121 16.715 11.267 35.398 1.00 15.99 O HETATM 1601 O HOH 122 28.012 11.334 38.838 1.00 57.44 O HETATM 1602 O HOH 123 23.502 33.687 34.788 1.00 64.72 O HETATM 1603 O HOH 124 19.482 25.245 44.664 1.00 70.10 O HETATM 1604 O HOH 125 -0.297 17.936 21.507 1.00 69.74 O HETATM 1605 O HOH 126 8.837 9.617 36.940 1.00 75.55 O HETATM 1606 O HOH 127 27.964 32.450 22.183 1.00 74.45 O HETATM 1607 O HOH 128 3.952 29.675 35.392 1.00 61.64 O HETATM 1608 O HOH 129 11.042 5.783 34.702 1.00 71.75 O HETATM 1609 O HOH 130 23.546 40.051 13.096 1.00 64.27 O HETATM 1610 O HOH 131 16.291 36.113 24.218 1.00 58.25 O HETATM 1611 O HOH 132 30.689 29.898 26.894 1.00 69.10 O HETATM 1612 O HOH 133 23.875 5.147 28.847 1.00 64.21 O HETATM 1613 O HOH 134 16.380 8.050 40.496 1.00 70.16 O HETATM 1614 O HOH 135 18.549 15.121 42.919 1.00 13.34 O HETATM 1615 O HOH 136 9.912 19.888 44.304 1.00 16.72 O HETATM 1616 O HOH 137 4.767 25.350 42.099 1.00 32.93 O HETATM 1617 O HOH 138 27.327 24.514 25.295 1.00 9.95 O HETATM 1618 O HOH 139 10.180 33.478 34.296 1.00 27.28 O HETATM 1619 O HOH 140 5.246 14.977 31.764 1.00 24.29 O HETATM 1620 O HOH 141 2.803 23.403 26.963 1.00 26.17 O HETATM 1621 O HOH 142 25.657 20.628 19.893 1.00 14.85 O HETATM 1622 O HOH 143 15.187 35.199 36.253 1.00 16.65 O HETATM 1623 O HOH 144 25.089 26.650 26.910 1.00 12.47 O HETATM 1624 O HOH 145 3.801 24.209 30.863 1.00 19.79 O HETATM 1625 O HOH 146 1.613 19.629 36.392 1.00 28.03 O HETATM 1626 O HOH 147 15.545 31.110 23.674 1.00 17.45 O HETATM 1627 O HOH 148 15.056 7.860 42.744 1.00 17.88 O HETATM 1628 O HOH 149 27.223 18.183 37.298 1.00 22.92 O HETATM 1629 O HOH 150 7.461 24.808 40.067 1.00 18.50 O HETATM 1630 O HOH 151 19.191 8.397 32.413 1.00 24.63 O HETATM 1631 O HOH 152 24.632 36.246 9.707 1.00 40.87 O HETATM 1632 O HOH 153 0.164 17.334 37.395 1.00 8.93 O HETATM 1633 O HOH 154 8.095 4.516 38.807 1.00 25.67 O HETATM 1634 O HOH 155 25.281 23.685 20.893 1.00 15.09 O HETATM 1635 O HOH 156 10.059 3.424 36.657 1.00 26.62 O HETATM 1636 O HOH 157 15.739 26.972 19.496 1.00 27.18 O HETATM 1637 O HOH 158 9.008 31.732 26.879 1.00 28.35 O HETATM 1638 O HOH 159 28.800 22.550 33.078 1.00 25.36 O HETATM 1639 O HOH 160 20.647 18.160 43.234 1.00 33.55 O HETATM 1640 O HOH 161 29.200 21.818 35.661 1.00 33.12 O HETATM 1641 O HOH 162 26.491 19.639 27.210 1.00 16.01 O HETATM 1642 O HOH 163 27.736 16.511 27.412 1.00 36.03 O HETATM 1643 O HOH 164 9.065 12.560 27.566 1.00 20.26 O HETATM 1644 O HOH 165 20.375 38.167 30.462 1.00 18.17 O HETATM 1645 O HOH 166 0.856 23.622 31.119 1.00 28.28 O HETATM 1646 O HOH 167 21.275 27.269 36.662 1.00 24.72 O HETATM 1647 O HOH 168 27.040 14.244 28.834 1.00 38.30 O HETATM 1648 O HOH 169 18.093 10.614 37.738 1.00 17.69 O HETATM 1649 O HOH 170 4.833 26.167 29.411 1.00 22.90 O HETATM 1650 O HOH 171 15.394 26.651 17.155 1.00 25.39 O HETATM 1651 O HOH 172 0.561 14.878 37.791 1.00 15.25 O HETATM 1652 O HOH 173 23.430 31.456 32.090 1.00 25.18 O HETATM 1653 O HOH 174 8.011 18.142 21.699 1.00 35.31 O HETATM 1654 O HOH 175 18.523 31.983 39.002 1.00 29.26 O HETATM 1655 O HOH 176 1.493 22.973 42.343 1.00 36.98 O HETATM 1656 O HOH 177 -0.824 23.830 37.414 1.00 29.33 O HETATM 1657 O HOH 178 24.393 17.373 22.450 1.00 21.85 O HETATM 1658 O HOH 179 19.458 14.585 20.546 1.00 19.46 O HETATM 1659 O HOH 180 13.699 36.691 27.593 1.00 27.07 O HETATM 1660 O HOH 181 9.326 27.385 41.368 1.00 32.78 O HETATM 1661 O HOH 182 20.741 11.859 38.373 1.00 26.95 O HETATM 1662 O HOH 183 21.349 33.830 33.312 1.00 33.77 O HETATM 1663 O HOH 184 3.765 23.506 23.825 1.00 30.66 O HETATM 1664 O HOH 185 13.895 19.385 46.517 1.00 18.72 O HETATM 1665 O HOH 186 7.052 28.879 25.025 1.00 23.62 O HETATM 1666 O HOH 187 13.056 31.022 39.396 1.00 44.24 O HETATM 1667 O HOH 188 14.260 16.988 17.791 1.00 25.47 O HETATM 1668 O HOH 189 14.792 11.977 23.848 1.00 24.26 O HETATM 1669 O HOH 190 9.027 36.696 30.296 1.00 46.80 O HETATM 1670 O HOH 191 17.323 18.504 17.585 1.00 33.33 O HETATM 1671 O HOH 192 13.762 10.177 31.747 1.00 42.77 O HETATM 1672 O HOH 193 17.031 33.714 23.635 1.00 34.88 O HETATM 1673 O HOH 194 25.797 36.140 32.213 1.00 29.38 O HETATM 1674 O HOH 195 12.126 15.002 16.675 1.00 28.70 O HETATM 1675 O HOH 196 21.928 11.599 24.242 1.00 26.67 O HETATM 1676 O HOH 197 6.722 14.975 21.478 1.00 36.61 O HETATM 1677 O HOH 198 23.418 28.666 37.398 1.00 48.65 O HETATM 1678 O HOH 199 13.747 8.159 23.715 1.00 34.86 O HETATM 1679 O HOH 200 10.665 15.294 20.147 1.00 37.06 O HETATM 1680 O HOH 201 -1.333 25.644 34.089 1.00 29.25 O HETATM 1681 O HOH 202 24.023 30.857 36.248 1.00 42.73 O HETATM 1682 O HOH 203 17.018 14.340 46.400 1.00 33.35 O HETATM 1683 O HOH 204 24.974 32.831 21.858 1.00 51.61 O HETATM 1684 O HOH 205 20.945 35.273 22.095 1.00 28.17 O HETATM 1685 O HOH 206 1.681 18.337 48.618 1.00 31.82 O HETATM 1686 O HOH 207 5.178 25.492 26.764 1.00 25.40 O HETATM 1687 O HOH 208 21.631 36.655 17.763 1.00 33.30 O HETATM 1688 O HOH 209 6.433 4.064 35.815 1.00 33.32 O HETATM 1689 O HOH 210 21.300 32.903 9.626 1.00 36.89 O HETATM 1690 O HOH 211 22.402 33.893 17.809 1.00 30.89 O HETATM 1691 O HOH 212 28.979 13.894 34.645 1.00 29.79 O HETATM 1692 O HOH 213 18.405 9.339 23.610 1.00 40.35 O HETATM 1693 O HOH 214 21.015 27.334 39.175 1.00 39.75 O HETATM 1694 O HOH 215 24.526 14.875 21.753 1.00 32.51 O HETATM 1695 O HOH 216 22.832 36.581 8.084 1.00 34.30 O HETATM 1696 O HOH 217 14.073 24.424 44.926 1.00 35.37 O HETATM 1697 O HOH 218 24.684 16.004 19.654 1.00 46.88 O HETATM 1698 O HOH 219 0.553 15.332 40.584 1.00 25.89 O HETATM 1699 O HOH 220 3.602 12.403 42.198 1.00 10.23 O HETATM 1700 O HOH 221 11.759 18.176 45.407 1.00 28.53 O HETATM 1701 O HOH 222 -1.018 12.881 40.673 1.00 22.13 O HETATM 1702 O HOH 223 12.126 29.781 17.512 1.00 36.57 O HETATM 1703 O HOH 224 2.174 11.117 45.931 1.00 15.62 O HETATM 1704 O HOH 225 2.320 10.569 49.057 1.00 21.63 O HETATM 1705 O HOH 226 1.859 8.498 45.155 1.00 39.46 O HETATM 1706 O HOH 227 1.580 10.791 42.477 1.00 44.40 O HETATM 1707 O HOH 228 5.518 7.607 39.394 1.00 38.11 O HETATM 1708 O HOH 229 13.918 2.389 38.978 1.00 33.30 O HETATM 1709 O HOH 230 2.460 5.233 44.975 1.00 41.08 O HETATM 1710 O HOH 231 15.482 2.583 41.195 1.00 40.09 O HETATM 1711 O HOH 232 3.888 5.216 38.208 1.00 46.34 O HETATM 1712 O HOH 233 -0.815 7.895 44.807 1.00 48.00 O HETATM 1713 O HOH 234 0.002 11.335 47.259 1.00 50.00 O HETATM 1714 O HOH 235 0.023 10.546 44.590 1.00 67.55 O HETATM 1715 N THR A 236 -0.376 17.399 41.858 1.00 0.24 N HETATM 1716 CA THR A 236 0.701 18.059 42.672 1.00 0.09 C HETATM 1717 C THR A 236 0.815 17.410 44.068 1.00 0.23 C HETATM 1718 O THR A 236 0.939 18.059 45.116 1.00 -0.39 O HETATM 1719 N THR A 236 0.763 16.087 44.016 1.00 -0.26 N HETATM 1720 CA THR A 236 1.018 15.202 45.111 1.00 0.13 C HETATM 1721 C THR A 236 2.521 15.174 45.380 1.00 0.21 C HETATM 1722 O THR A 236 3.309 15.688 44.565 1.00 -0.39 O HETATM 1723 N THR A 236 2.928 14.574 46.520 1.00 -0.25 N HETATM 1724 CA THR A 236 4.327 14.205 46.715 1.00 0.13 C HETATM 1725 C THR A 236 4.855 13.401 45.534 1.00 0.20 C HETATM 1726 O THR A 236 4.149 12.560 44.986 1.00 -0.39 O HETATM 1727 N THR A 236 6.080 13.705 45.132 1.00 -0.26 N HETATM 1728 CA THR A 236 6.731 13.007 44.038 1.00 0.16 C HETATM 1729 CB THR A 236 8.072 13.701 43.882 1.00 0.13 C HETATM 1730 CG2 THR A 236 8.830 13.192 42.658 1.00 -0.03 C HETATM 1731 H THR A 236 9.006 12.121 42.761 1.00 0.03 H HETATM 1732 H THR A 236 8.239 13.380 41.762 1.00 0.03 H HETATM 1733 H THR A 236 9.784 13.713 42.581 1.00 0.03 H HETATM 1734 OG1 THR A 236 7.825 15.113 43.792 1.00 -0.27 O HETATM 1735 P THR A 236 8.442 16.169 44.836 1.00 0.20 P HETATM 1736 O1P THR A 236 9.925 15.884 44.772 1.00 -0.55 O HETATM 1737 O2P THR A 236 7.773 15.793 46.140 1.00 -0.55 O HETATM 1738 O3P THR A 236 8.070 17.520 44.295 1.00 -0.55 O HETATM 1739 H THR A 236 8.704 13.483 44.743 1.00 0.07 H HETATM 1740 C THR A 236 6.904 11.555 44.358 1.00 0.21 C HETATM 1741 O THR A 236 7.216 11.209 45.488 1.00 -0.39 O HETATM 1742 N THR A 236 6.668 10.684 43.379 1.00 -0.26 N HETATM 1743 CA THR A 236 6.882 9.258 43.584 1.00 0.13 C HETATM 1744 C THR A 236 8.348 8.943 43.346 1.00 0.20 C HETATM 1745 O THR A 236 8.936 9.383 42.355 1.00 -0.39 O HETATM 1746 N THR A 236 8.937 8.199 44.276 1.00 -0.26 N HETATM 1747 CA THR A 236 10.343 7.843 44.203 1.00 0.13 C HETATM 1748 C THR A 236 10.561 6.726 43.176 1.00 0.20 C HETATM 1749 O THR A 236 9.906 5.690 43.228 1.00 -0.39 O HETATM 1750 N THR A 236 11.463 6.963 42.228 1.00 -0.27 N HETATM 1751 CA THR A 236 11.852 5.956 41.236 1.00 0.10 C HETATM 1752 C THR A 236 13.096 5.233 41.735 1.00 0.06 C HETATM 1753 O THR A 236 13.285 4.058 41.447 1.00 -0.57 O HETATM 1754 O THR A 236 13.935 5.847 42.447 1.00 -0.57 O HETATM 1755 CB THR A 236 12.140 6.579 39.837 1.00 -0.01 C HETATM 1756 CG1 THR A 236 10.917 7.340 39.319 1.00 -0.05 C HETATM 1757 CD1 THR A 236 11.213 8.194 38.118 1.00 -0.06 C HETATM 1758 H THR A 236 11.974 8.931 38.376 1.00 0.02 H HETATM 1759 H THR A 236 11.576 7.564 37.306 1.00 0.02 H HETATM 1760 H THR A 236 10.303 8.705 37.804 1.00 0.02 H HETATM 1761 H THR A 236 10.577 8.000 40.117 1.00 0.03 H HETATM 1762 H THR A 236 10.171 6.602 39.023 1.00 0.03 H HETATM 1763 CG2 THR A 236 12.563 5.500 38.821 1.00 -0.06 C HETATM 1764 H THR A 236 13.468 5.005 39.174 1.00 0.02 H HETATM 1765 H THR A 236 11.763 4.767 38.717 1.00 0.02 H HETATM 1766 H THR A 236 12.757 5.968 37.856 1.00 0.02 H HETATM 1767 H THR A 236 12.966 7.281 39.953 1.00 0.03 H HETATM 1768 H THR A 236 11.019 5.264 41.115 1.00 0.07 H HETATM 1769 H THR A 236 11.902 7.883 42.190 1.00 0.19 H HETATM 1770 CB THR A 236 10.843 7.433 45.596 1.00 -0.01 C HETATM 1771 CG THR A 236 12.356 7.278 45.733 1.00 -0.04 C HETATM 1772 CD THR A 236 13.054 8.613 45.961 1.00 -0.01 C HETATM 1773 CE THR A 236 14.496 8.425 46.442 1.00 -0.04 C HETATM 1774 NZ THR A 236 15.216 9.731 46.558 1.00 0.22 N HETATM 1775 H THR A 236 16.169 9.565 46.880 1.00 0.20 H HETATM 1776 H THR A 236 15.238 10.188 45.646 1.00 0.20 H HETATM 1777 H THR A 236 14.729 10.328 47.227 1.00 0.20 H HETATM 1778 H THR A 236 15.022 7.806 45.715 1.00 0.08 H HETATM 1779 H THR A 236 14.471 7.958 47.427 1.00 0.08 H HETATM 1780 H THR A 236 12.505 9.160 46.727 1.00 0.03 H HETATM 1781 H THR A 236 13.076 9.155 45.015 1.00 0.03 H HETATM 1782 H THR A 236 12.738 6.850 44.806 1.00 0.03 H HETATM 1783 H THR A 236 12.555 6.640 46.594 1.00 0.03 H HETATM 1784 H THR A 236 10.411 6.454 45.805 1.00 0.03 H HETATM 1785 H THR A 236 10.550 8.231 46.278 1.00 0.03 H HETATM 1786 H THR A 236 10.919 8.707 43.872 1.00 0.08 H HETATM 1787 H THR A 236 8.384 7.867 45.066 1.00 0.19 H HETATM 1788 CB THR A 236 5.981 8.398 42.686 1.00 -0.00 C HETATM 1789 CG THR A 236 4.505 8.760 42.778 1.00 0.00 C HETATM 1790 CD THR A 236 3.576 7.662 42.291 1.00 0.04 C HETATM 1791 OE1 THR A 236 3.929 6.926 41.344 1.00 -0.57 O HETATM 1792 OE2 THR A 236 2.473 7.547 42.861 1.00 -0.57 O HETATM 1793 H THR A 236 4.343 9.630 42.142 1.00 0.04 H HETATM 1794 H THR A 236 4.278 8.937 43.829 1.00 0.04 H HETATM 1795 H THR A 236 6.085 7.364 43.014 1.00 0.03 H HETATM 1796 H THR A 236 6.294 8.563 41.655 1.00 0.03 H HETATM 1797 H THR A 236 6.612 9.012 44.611 1.00 0.08 H HETATM 1798 H THR A 236 6.334 11.019 42.475 1.00 0.19 H HETATM 1799 H THR A 236 6.146 13.041 43.119 1.00 0.08 H HETATM 1800 H THR A 236 6.583 14.455 45.607 1.00 0.19 H HETATM 1801 CB THR A 236 4.283 13.335 47.967 1.00 -0.01 C HETATM 1802 CG THR A 236 3.159 13.947 48.771 1.00 -0.03 C HETATM 1803 CD THR A 236 2.159 14.472 47.775 1.00 0.04 C HETATM 1804 H THR A 236 1.291 13.820 47.677 1.00 0.05 H HETATM 1805 H THR A 236 1.735 15.429 48.079 1.00 0.05 H HETATM 1806 H THR A 236 3.528 14.747 49.413 1.00 0.03 H HETATM 1807 H THR A 236 2.703 13.208 49.430 1.00 0.03 H HETATM 1808 H THR A 236 5.230 13.325 48.507 1.00 0.03 H HETATM 1809 H THR A 236 4.115 12.282 47.742 1.00 0.03 H HETATM 1810 H THR A 236 4.983 15.071 46.805 1.00 0.08 H HETATM 1811 CB THR A 236 0.540 13.816 44.716 1.00 -0.02 C HETATM 1812 H THR A 236 -0.528 13.849 44.499 1.00 0.03 H HETATM 1813 H THR A 236 1.082 13.485 43.830 1.00 0.03 H HETATM 1814 H THR A 236 0.724 13.122 45.536 1.00 0.03 H HETATM 1815 H THR A 236 0.498 15.533 46.010 1.00 0.08 H HETATM 1816 H THR A 236 0.521 15.664 43.120 1.00 0.19 H HETATM 1817 CB THR A 236 0.531 19.585 42.712 1.00 0.11 C HETATM 1818 OG1 THR A 236 0.235 20.061 41.388 1.00 -0.38 O HETATM 1819 H THR A 236 0.128 21.015 41.409 1.00 0.21 H HETATM 1820 CG2 THR A 236 1.807 20.244 43.193 1.00 -0.03 C HETATM 1821 H THR A 236 2.623 19.989 42.517 1.00 0.03 H HETATM 1822 H THR A 236 1.672 21.325 43.210 1.00 0.03 H HETATM 1823 H THR A 236 2.041 19.890 44.197 1.00 0.03 H HETATM 1824 H THR A 236 -0.281 19.832 43.396 1.00 0.07 H HETATM 1825 H THR A 236 1.658 17.889 42.178 1.00 0.11 H HETATM 1826 H THR A 236 -0.229 16.390 41.856 1.00 0.20 H HETATM 1827 H THR A 236 -1.287 17.610 42.266 1.00 0.20 H HETATM 1828 H THR A 236 -0.341 17.751 40.901 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1183 1182 1480 CONECT 1184 1182 1480 CONECT 1439 1437 1438 1480 CONECT 1480 1183 1184 1439 CONECT 1715 1716 1826 1827 1828 CONECT 1716 1715 1717 1817 1825 CONECT 1717 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 1720 1816 CONECT 1720 1719 1721 1811 1815 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 1724 1803 CONECT 1724 1723 1725 1801 1810 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1800 CONECT 1728 1727 1729 1740 1799 CONECT 1729 1728 1730 1734 1739 CONECT 1730 1729 1731 1732 1733 CONECT 1731 1730 CONECT 1732 1730 CONECT 1733 1730 CONECT 1734 1729 1735 CONECT 1735 1734 1736 1737 1738 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1735 CONECT 1739 1729 CONECT 1740 1728 1741 1742 CONECT 1741 1740 CONECT 1742 1740 1743 1798 CONECT 1743 1742 1744 1788 1797 CONECT 1744 1743 1745 1746 CONECT 1745 1744 CONECT 1746 1744 1747 1787 CONECT 1747 1746 1748 1770 1786 CONECT 1748 1747 1749 1750 CONECT 1749 1748 CONECT 1750 1748 1751 1769 CONECT 1751 1750 1752 1755 1768 CONECT 1752 1751 1753 1754 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1751 1756 1763 1767 CONECT 1756 1755 1757 1761 1762 CONECT 1757 1756 1758 1759 1760 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1757 CONECT 1761 1756 CONECT 1762 1756 CONECT 1763 1755 1764 1765 1766 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1763 CONECT 1767 1755 CONECT 1768 1751 CONECT 1769 1750 CONECT 1770 1747 1771 1784 1785 CONECT 1771 1770 1772 1782 1783 CONECT 1772 1771 1773 1780 1781 CONECT 1773 1772 1774 1778 1779 CONECT 1774 1773 1775 1776 1777 CONECT 1775 1774 CONECT 1776 1774 CONECT 1777 1774 CONECT 1778 1773 CONECT 1779 1773 CONECT 1780 1772 CONECT 1781 1772 CONECT 1782 1771 CONECT 1783 1771 CONECT 1784 1770 CONECT 1785 1770 CONECT 1786 1747 CONECT 1787 1746 CONECT 1788 1743 1789 1795 1796 CONECT 1789 1788 1790 1793 1794 CONECT 1790 1789 1791 1792 CONECT 1791 1790 CONECT 1792 1790 CONECT 1793 1789 CONECT 1794 1789 CONECT 1795 1788 CONECT 1796 1788 CONECT 1797 1743 CONECT 1798 1742 CONECT 1799 1728 CONECT 1800 1727 CONECT 1801 1724 1802 1808 1809 CONECT 1802 1801 1803 1806 1807 CONECT 1803 1723 1802 1804 1805 CONECT 1804 1803 CONECT 1805 1803 CONECT 1806 1802 CONECT 1807 1802 CONECT 1808 1801 CONECT 1809 1801 CONECT 1810 1724 CONECT 1811 1720 1812 1813 1814 CONECT 1812 1811 CONECT 1813 1811 CONECT 1814 1811 CONECT 1815 1720 CONECT 1816 1719 CONECT 1817 1716 1818 1820 1824 CONECT 1818 1817 1819 CONECT 1819 1818 CONECT 1820 1817 1821 1822 1823 CONECT 1821 1820 CONECT 1822 1820 CONECT 1823 1820 CONECT 1824 1817 CONECT 1825 1716 CONECT 1826 1715 CONECT 1827 1715 CONECT 1828 1715 MASTER 0 0 0 0 0 0 0 0 1827 1 122 8 END
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12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3poa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Putative uncharacterized protein TB39.8, Rv0020c FHA
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
Kd=0.1uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Structure Vol. 18: pp. 1587-1595
Ligand Properties
Formula
C
3
3
H
6
2
N
8
O
1
5
P
Molecular Weight
841.864
Exact Mass
841.407
No. of atoms
119
No. of bonds
119
Polar Surface Area
399.43
LOGP Value
-6.09 (
Computed with XLOGP3
)
-3.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](OP(O)(O)O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])C)CCC(=O)O
InChI String
InChI=1S/C33H61N8O15P/c1-6-16(2)25(33(51)52)39-28(46)20(10-7-8-14-34)37-27(45)21(12-13-23(43)44)38-31(49)26(19(5)56-57(53,54)55)40-29(47)22-11-9-15-41(22)32(50)17(3)36-30(48)24(35)18(4)42/h16-22,24-26,42,53-55,57H,6-15,34-35H2,1-5H3,(H,36,48)(H,37,45)(H,38,49)(H,39,46)(H,40,47)(H,43,44)(H,51,52)/p+2/t16-,17-,18+,19+,20-,21-,22-,24-,25-,26-/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):
P71590
Entrez Gene ID
NCBI Entrez Gene ID:
887067
ASD
Information of known allosteric effects of PDB entries
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