Browse entries in the PDBbind-CN Database
HEADER 1TOW_COMPLEX COMPND 1TOW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 CYS ASP ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP VAL ILE THR ILE LYS SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE ILE SEQRES 6 A 131 LEU GLY GLN GLU PHE ASP GLU VAL THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER THR ILE THR LEU ASP GLY GLY VAL LEU SEQRES 8 A 131 VAL HIS VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE SEQRES 9 A 131 LYS ARG LYS ARG GLU ASP ASP LYS LEU VAL VAL GLU CYS SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG SEQRES 11 A 131 ALA HET CRZ A 306 33 ATOM 1 N CYS A 1 4.522 -1.094 13.292 1.00 43.29 N ATOM 2 CA CYS A 1 4.570 -0.003 12.281 1.00 43.34 C ATOM 3 C CYS A 1 3.857 -0.452 11.024 1.00 42.17 C ATOM 4 O CYS A 1 4.175 -1.505 10.472 1.00 42.54 O ATOM 5 CB CYS A 1 6.018 0.332 11.919 1.00 43.72 C ATOM 6 SG CYS A 1 6.433 -0.025 10.187 1.00 47.44 S ATOM 7 HA CYS A 1 4.088 0.879 12.703 1.00 0.00 H ATOM 8 HB2 CYS A 1 6.678 -0.252 12.560 1.00 0.00 H ATOM 9 HB3 CYS A 1 6.183 1.394 12.102 1.00 0.00 H ATOM 10 HG CYS A 1 6.244 -1.369 9.938 1.00 0.00 H ATOM 11 HN3 CYS A 1 4.990 -1.940 12.910 1.00 0.00 H ATOM 12 HN2 CYS A 1 3.530 -1.316 13.514 1.00 0.00 H ATOM 13 HN1 CYS A 1 5.012 -0.786 14.156 1.00 0.00 H ATOM 14 N ASP A 2 2.891 0.342 10.576 1.00 40.87 N ATOM 15 CA ASP A 2 2.238 0.099 9.292 1.00 39.16 C ATOM 16 C ASP A 2 1.579 1.345 8.647 1.00 37.40 C ATOM 17 O ASP A 2 1.049 1.274 7.529 1.00 37.08 O ATOM 18 CB ASP A 2 1.308 -1.142 9.319 1.00 39.75 C ATOM 19 CG ASP A 2 0.993 -1.667 10.747 1.00 41.63 C ATOM 20 OD1 ASP A 2 1.733 -2.554 11.243 1.00 42.53 O ATOM 21 OD2 ASP A 2 -0.007 -1.309 11.421 1.00 43.35 O ATOM 22 HA ASP A 2 3.056 -0.142 8.612 1.00 0.00 H ATOM 23 HB2 ASP A 2 0.368 -0.876 8.836 1.00 0.00 H ATOM 24 HB3 ASP A 2 1.789 -1.943 8.758 1.00 0.00 H ATOM 25 H ASP A 2 2.593 1.155 11.152 1.00 0.00 H ATOM 26 N ALA A 3 1.624 2.485 9.348 1.00 34.91 N ATOM 27 CA ALA A 3 1.354 3.795 8.731 1.00 31.96 C ATOM 28 C ALA A 3 2.493 4.134 7.766 1.00 29.75 C ATOM 29 O ALA A 3 2.474 5.162 7.090 1.00 29.66 O ATOM 30 CB ALA A 3 1.233 4.873 9.798 1.00 32.35 C ATOM 31 HA ALA A 3 0.411 3.750 8.186 1.00 0.00 H ATOM 32 HB1 ALA A 3 0.414 4.624 10.473 1.00 0.00 H ATOM 33 HB2 ALA A 3 2.165 4.932 10.361 1.00 0.00 H ATOM 34 HB3 ALA A 3 1.034 5.833 9.322 1.00 0.00 H ATOM 35 H ALA A 3 1.857 2.444 10.361 1.00 0.00 H ATOM 36 N PHE A 4 3.482 3.244 7.728 1.00 26.70 N ATOM 37 CA PHE A 4 4.657 3.359 6.874 1.00 24.25 C ATOM 38 C PHE A 4 4.474 2.596 5.572 1.00 22.55 C ATOM 39 O PHE A 4 5.242 2.789 4.629 1.00 21.46 O ATOM 40 CB PHE A 4 5.880 2.807 7.611 1.00 23.76 C ATOM 41 CG PHE A 4 6.331 3.665 8.748 1.00 23.35 C ATOM 42 CD1 PHE A 4 7.269 4.671 8.543 1.00 22.40 C ATOM 43 CD2 PHE A 4 5.827 3.473 10.023 1.00 23.50 C ATOM 44 CE1 PHE A 4 7.688 5.469 9.587 1.00 22.51 C ATOM 45 CE2 PHE A 4 6.252 4.274 11.085 1.00 23.54 C ATOM 46 CZ PHE A 4 7.180 5.272 10.861 1.00 23.14 C ATOM 47 HA PHE A 4 4.800 4.413 6.638 1.00 0.00 H ATOM 48 HB2 PHE A 4 5.631 1.820 8.001 1.00 0.00 H ATOM 49 HB3 PHE A 4 6.701 2.718 6.899 1.00 0.00 H ATOM 50 HD2 PHE A 4 5.091 2.689 10.200 1.00 0.00 H ATOM 51 HE2 PHE A 4 5.853 4.112 12.086 1.00 0.00 H ATOM 52 HZ PHE A 4 7.512 5.904 11.685 1.00 0.00 H ATOM 53 HE1 PHE A 4 8.420 6.256 9.409 1.00 0.00 H ATOM 54 HD1 PHE A 4 7.678 4.831 7.545 1.00 0.00 H ATOM 55 H PHE A 4 3.412 2.412 8.348 1.00 0.00 H ATOM 56 N VAL A 5 3.461 1.723 5.536 1.00 21.01 N ATOM 57 CA VAL A 5 3.204 0.866 4.377 1.00 19.12 C ATOM 58 C VAL A 5 2.950 1.689 3.119 1.00 18.45 C ATOM 59 O VAL A 5 2.153 2.635 3.111 1.00 18.32 O ATOM 60 CB VAL A 5 2.044 -0.156 4.626 1.00 19.35 C ATOM 61 CG1 VAL A 5 1.616 -0.848 3.323 1.00 17.12 C ATOM 62 CG2 VAL A 5 2.461 -1.199 5.651 1.00 18.49 C ATOM 63 HA VAL A 5 4.110 0.281 4.222 1.00 0.00 H ATOM 64 HB VAL A 5 1.192 0.404 5.012 1.00 0.00 H ATOM 65 HG11 VAL A 5 1.270 -0.098 2.612 1.00 0.00 H ATOM 66 HG12 VAL A 5 2.466 -1.385 2.902 1.00 0.00 H ATOM 67 HG13 VAL A 5 0.809 -1.550 3.534 1.00 0.00 H ATOM 68 HG21 VAL A 5 3.335 -1.738 5.284 1.00 0.00 H ATOM 69 HG22 VAL A 5 2.705 -0.705 6.591 1.00 0.00 H ATOM 70 HG23 VAL A 5 1.641 -1.899 5.809 1.00 0.00 H ATOM 71 H VAL A 5 2.833 1.650 6.362 1.00 0.00 H ATOM 72 N GLY A 6 3.639 1.323 2.053 1.00 17.55 N ATOM 73 CA GLY A 6 3.412 1.961 0.769 1.00 16.92 C ATOM 74 C GLY A 6 4.672 1.984 -0.063 1.00 16.84 C ATOM 75 O GLY A 6 5.699 1.373 0.299 1.00 15.48 O ATOM 76 HA3 GLY A 6 3.077 2.985 0.935 1.00 0.00 H ATOM 77 HA2 GLY A 6 2.641 1.411 0.230 1.00 0.00 H ATOM 78 H GLY A 6 4.352 0.570 2.135 1.00 0.00 H ATOM 79 N THR A 7 4.573 2.672 -1.194 1.00 16.49 N ATOM 80 CA THR A 7 5.703 2.887 -2.072 1.00 17.11 C ATOM 81 C THR A 7 6.027 4.385 -2.062 1.00 16.87 C ATOM 82 O THR A 7 5.136 5.226 -2.270 1.00 16.54 O ATOM 83 CB THR A 7 5.357 2.365 -3.479 1.00 17.27 C ATOM 84 OG1 THR A 7 5.277 0.933 -3.421 1.00 18.21 O ATOM 85 CG2 THR A 7 6.489 2.655 -4.477 1.00 18.18 C ATOM 86 HA THR A 7 6.586 2.342 -1.738 1.00 0.00 H ATOM 87 HB THR A 7 4.430 2.846 -3.791 1.00 0.00 H ATOM 88 HG1 THR A 7 5.055 0.579 -4.319 1.00 0.00 H ATOM 89 HG23 THR A 7 6.615 3.733 -4.579 1.00 0.00 H ATOM 90 HG21 THR A 7 7.416 2.213 -4.112 1.00 0.00 H ATOM 91 HG22 THR A 7 6.237 2.224 -5.446 1.00 0.00 H ATOM 92 H THR A 7 3.650 3.071 -1.459 1.00 0.00 H ATOM 93 N TRP A 8 7.300 4.690 -1.824 1.00 15.73 N ATOM 94 CA TRP A 8 7.749 6.042 -1.512 1.00 15.66 C ATOM 95 C TRP A 8 8.903 6.444 -2.426 1.00 15.69 C ATOM 96 O TRP A 8 9.839 5.664 -2.620 1.00 15.19 O ATOM 97 CB TRP A 8 8.184 6.120 -0.042 1.00 15.31 C ATOM 98 CG TRP A 8 7.126 5.733 0.948 1.00 15.30 C ATOM 99 CD1 TRP A 8 6.893 4.479 1.468 1.00 15.77 C ATOM 100 CD2 TRP A 8 6.145 6.595 1.537 1.00 14.93 C ATOM 101 NE1 TRP A 8 5.836 4.518 2.348 1.00 15.73 N ATOM 102 CE2 TRP A 8 5.354 5.803 2.409 1.00 16.30 C ATOM 103 CE3 TRP A 8 5.845 7.960 1.411 1.00 15.66 C ATOM 104 CZ2 TRP A 8 4.294 6.333 3.161 1.00 15.96 C ATOM 105 CZ3 TRP A 8 4.797 8.492 2.162 1.00 16.18 C ATOM 106 CH2 TRP A 8 4.033 7.674 3.026 1.00 16.36 C ATOM 107 HA TRP A 8 6.923 6.734 -1.675 1.00 0.00 H ATOM 108 HB2 TRP A 8 9.037 5.455 0.095 1.00 0.00 H ATOM 109 HB3 TRP A 8 8.487 7.146 0.168 1.00 0.00 H ATOM 110 HE1 TRP A 8 5.463 3.706 2.881 1.00 0.00 H ATOM 111 HD1 TRP A 8 7.464 3.585 1.218 1.00 0.00 H ATOM 112 HZ2 TRP A 8 3.701 5.705 3.826 1.00 0.00 H ATOM 113 HH2 TRP A 8 3.218 8.118 3.598 1.00 0.00 H ATOM 114 HZ3 TRP A 8 4.564 9.554 2.082 1.00 0.00 H ATOM 115 HE3 TRP A 8 6.421 8.594 0.737 1.00 0.00 H ATOM 116 H TRP A 8 8.008 3.929 -1.862 1.00 0.00 H ATOM 117 N LYS A 9 8.829 7.650 -2.993 1.00 15.19 N ATOM 118 CA LYS A 9 9.873 8.133 -3.893 1.00 16.01 C ATOM 119 C LYS A 9 10.669 9.262 -3.236 1.00 14.96 C ATOM 120 O LYS A 9 10.090 10.135 -2.596 1.00 14.71 O ATOM 121 CB LYS A 9 9.276 8.605 -5.232 1.00 15.94 C ATOM 122 CG LYS A 9 10.338 8.944 -6.285 1.00 17.39 C ATOM 123 CD LYS A 9 9.714 9.214 -7.640 1.00 19.56 C ATOM 124 CE LYS A 9 10.743 9.764 -8.646 1.00 24.50 C ATOM 125 NZ LYS A 9 10.310 9.597 -10.079 1.00 26.00 N ATOM 126 HA LYS A 9 10.550 7.303 -4.098 1.00 0.00 H ATOM 127 HB2 LYS A 9 8.639 7.813 -5.625 1.00 0.00 H ATOM 128 HB3 LYS A 9 8.675 9.495 -5.048 1.00 0.00 H ATOM 129 HG2 LYS A 9 10.885 9.831 -5.964 1.00 0.00 H ATOM 130 HG3 LYS A 9 11.029 8.105 -6.374 1.00 0.00 H ATOM 131 HD2 LYS A 9 9.302 8.284 -8.030 1.00 0.00 H ATOM 132 HD3 LYS A 9 8.913 9.943 -7.520 1.00 0.00 H ATOM 133 HE2 LYS A 9 11.686 9.236 -8.504 1.00 0.00 H ATOM 134 HE3 LYS A 9 10.890 10.826 -8.448 1.00 0.00 H ATOM 135 HZ1 LYS A 9 10.175 8.586 -10.284 1.00 0.00 H ATOM 136 HZ2 LYS A 9 9.415 10.105 -10.231 1.00 0.00 H ATOM 137 HZ3 LYS A 9 11.041 9.985 -10.708 1.00 0.00 H ATOM 138 H LYS A 9 8.011 8.259 -2.790 1.00 0.00 H ATOM 139 N LEU A 10 11.993 9.233 -3.379 1.00 14.54 N ATOM 140 CA LEU A 10 12.823 10.286 -2.813 1.00 13.95 C ATOM 141 C LEU A 10 12.573 11.580 -3.588 1.00 13.70 C ATOM 142 O LEU A 10 12.697 11.594 -4.824 1.00 13.56 O ATOM 143 CB LEU A 10 14.305 9.909 -2.884 1.00 14.58 C ATOM 144 CG LEU A 10 15.282 10.981 -2.341 1.00 14.65 C ATOM 145 CD1 LEU A 10 15.364 10.917 -0.825 1.00 16.07 C ATOM 146 CD2 LEU A 10 16.664 10.836 -2.936 1.00 16.71 C ATOM 147 HA LEU A 10 12.562 10.423 -1.764 1.00 0.00 H ATOM 148 HB2 LEU A 10 14.450 8.996 -2.306 1.00 0.00 H ATOM 149 HB3 LEU A 10 14.556 9.720 -3.928 1.00 0.00 H ATOM 150 HG LEU A 10 14.887 11.953 -2.638 1.00 0.00 H ATOM 151 HD21 LEU A 10 17.063 9.852 -2.689 1.00 0.00 H ATOM 152 HD22 LEU A 10 16.605 10.944 -4.019 1.00 0.00 H ATOM 153 HD23 LEU A 10 17.317 11.608 -2.528 1.00 0.00 H ATOM 154 HD11 LEU A 10 14.376 11.094 -0.401 1.00 0.00 H ATOM 155 HD12 LEU A 10 15.719 9.932 -0.523 1.00 0.00 H ATOM 156 HD13 LEU A 10 16.056 11.679 -0.467 1.00 0.00 H ATOM 157 H LEU A 10 12.438 8.451 -3.900 1.00 0.00 H ATOM 158 N VAL A 11 12.223 12.655 -2.875 1.00 13.38 N ATOM 159 CA VAL A 11 12.014 13.969 -3.521 1.00 13.66 C ATOM 160 C VAL A 11 12.996 15.064 -3.079 1.00 13.99 C ATOM 161 O VAL A 11 13.194 16.042 -3.805 1.00 13.81 O ATOM 162 CB VAL A 11 10.528 14.481 -3.432 1.00 13.59 C ATOM 163 CG1 VAL A 11 9.559 13.490 -4.120 1.00 12.46 C ATOM 164 CG2 VAL A 11 10.120 14.765 -1.993 1.00 13.29 C ATOM 165 HA VAL A 11 12.233 13.768 -4.570 1.00 0.00 H ATOM 166 HB VAL A 11 10.468 15.427 -3.971 1.00 0.00 H ATOM 167 HG11 VAL A 11 9.832 13.387 -5.170 1.00 0.00 H ATOM 168 HG12 VAL A 11 9.625 12.519 -3.629 1.00 0.00 H ATOM 169 HG13 VAL A 11 8.540 13.868 -4.044 1.00 0.00 H ATOM 170 HG21 VAL A 11 10.206 13.851 -1.405 1.00 0.00 H ATOM 171 HG22 VAL A 11 10.774 15.530 -1.575 1.00 0.00 H ATOM 172 HG23 VAL A 11 9.088 15.116 -1.972 1.00 0.00 H ATOM 173 H VAL A 11 12.095 12.566 -1.847 1.00 0.00 H ATOM 174 N SER A 12 13.594 14.912 -1.890 1.00 13.95 N ATOM 175 CA SER A 12 14.670 15.814 -1.465 1.00 13.83 C ATOM 176 C SER A 12 15.678 15.146 -0.523 1.00 13.89 C ATOM 177 O SER A 12 15.346 14.198 0.194 1.00 13.78 O ATOM 178 CB SER A 12 14.089 17.071 -0.823 1.00 13.76 C ATOM 179 OG SER A 12 13.479 16.758 0.405 1.00 13.86 O ATOM 180 HA SER A 12 15.221 16.088 -2.365 1.00 0.00 H ATOM 181 HB2 SER A 12 13.347 17.506 -1.492 1.00 0.00 H ATOM 182 HB3 SER A 12 14.890 17.791 -0.653 1.00 0.00 H ATOM 183 HG SER A 12 14.152 16.365 1.016 1.00 0.00 H ATOM 184 H SER A 12 13.291 14.143 -1.259 1.00 0.00 H ATOM 185 N SER A 13 16.909 15.649 -0.529 1.00 13.98 N ATOM 186 CA SER A 13 17.977 15.086 0.294 1.00 13.79 C ATOM 187 C SER A 13 18.965 16.192 0.660 1.00 14.24 C ATOM 188 O SER A 13 19.352 16.984 -0.204 1.00 15.15 O ATOM 189 CB SER A 13 18.677 13.957 -0.471 1.00 13.66 C ATOM 190 OG SER A 13 19.797 13.430 0.227 1.00 12.74 O ATOM 191 HA SER A 13 17.561 14.670 1.212 1.00 0.00 H ATOM 192 HB2 SER A 13 19.016 14.345 -1.432 1.00 0.00 H ATOM 193 HB3 SER A 13 17.960 13.153 -0.638 1.00 0.00 H ATOM 194 HG SER A 13 20.209 12.708 -0.310 1.00 0.00 H ATOM 195 H SER A 13 17.118 16.467 -1.137 1.00 0.00 H ATOM 196 N GLU A 14 19.337 16.263 1.939 1.00 14.16 N ATOM 197 CA GLU A 14 20.304 17.249 2.424 1.00 14.48 C ATOM 198 C GLU A 14 21.436 16.538 3.161 1.00 14.09 C ATOM 199 O GLU A 14 21.176 15.693 4.014 1.00 13.48 O ATOM 200 CB GLU A 14 19.624 18.253 3.361 1.00 15.13 C ATOM 201 CG GLU A 14 18.646 19.210 2.672 1.00 17.07 C ATOM 202 CD GLU A 14 17.290 19.249 3.341 1.00 20.74 C ATOM 203 OE1 GLU A 14 16.271 19.268 2.615 1.00 23.88 O ATOM 204 OE2 GLU A 14 17.226 19.249 4.585 1.00 21.53 O ATOM 205 HA GLU A 14 20.710 17.791 1.570 1.00 0.00 H ATOM 206 HB2 GLU A 14 19.075 17.693 4.118 1.00 0.00 H ATOM 207 HB3 GLU A 14 20.400 18.848 3.842 1.00 0.00 H ATOM 208 HG2 GLU A 14 19.071 20.214 2.689 1.00 0.00 H ATOM 209 HG3 GLU A 14 18.515 18.889 1.639 1.00 0.00 H ATOM 210 H GLU A 14 18.924 15.592 2.618 1.00 0.00 H ATOM 211 N ASN A 15 22.677 16.871 2.815 1.00 13.59 N ATOM 212 CA ASN A 15 23.878 16.390 3.541 1.00 13.61 C ATOM 213 C ASN A 15 24.180 14.910 3.370 1.00 13.58 C ATOM 214 O ASN A 15 24.986 14.345 4.122 1.00 13.24 O ATOM 215 CB ASN A 15 23.805 16.717 5.045 1.00 13.54 C ATOM 216 CG ASN A 15 23.600 18.196 5.319 1.00 14.47 C ATOM 217 OD1 ASN A 15 24.019 19.046 4.539 1.00 15.37 O ATOM 218 ND2 ASN A 15 22.946 18.505 6.441 1.00 15.54 N ATOM 219 HA ASN A 15 24.699 16.935 3.074 1.00 0.00 H ATOM 220 HB2 ASN A 15 22.974 16.164 5.482 1.00 0.00 H ATOM 221 HB3 ASN A 15 24.736 16.402 5.515 1.00 0.00 H ATOM 222 HD22 ASN A 15 22.610 17.750 7.072 1.00 0.00 H ATOM 223 HD21 ASN A 15 22.773 19.501 6.684 1.00 0.00 H ATOM 224 H ASN A 15 22.811 17.498 1.997 1.00 0.00 H ATOM 225 N PHE A 16 23.561 14.277 2.375 1.00 14.08 N ATOM 226 CA PHE A 16 23.765 12.838 2.202 1.00 14.28 C ATOM 227 C PHE A 16 25.195 12.457 1.829 1.00 14.21 C ATOM 228 O PHE A 16 25.677 11.422 2.278 1.00 14.46 O ATOM 229 CB PHE A 16 22.773 12.198 1.233 1.00 13.81 C ATOM 230 CG PHE A 16 22.675 10.706 1.397 1.00 15.34 C ATOM 231 CD1 PHE A 16 22.436 10.149 2.667 1.00 14.18 C ATOM 232 CD2 PHE A 16 22.829 9.857 0.308 1.00 13.69 C ATOM 233 CE1 PHE A 16 22.344 8.763 2.837 1.00 15.90 C ATOM 234 CE2 PHE A 16 22.729 8.445 0.471 1.00 15.77 C ATOM 235 CZ PHE A 16 22.487 7.912 1.737 1.00 14.73 C ATOM 236 HA PHE A 16 23.572 12.428 3.193 1.00 0.00 H ATOM 237 HB2 PHE A 16 21.788 12.633 1.405 1.00 0.00 H ATOM 238 HB3 PHE A 16 23.092 12.416 0.214 1.00 0.00 H ATOM 239 HD2 PHE A 16 23.028 10.274 -0.679 1.00 0.00 H ATOM 240 HE2 PHE A 16 22.841 7.785 -0.389 1.00 0.00 H ATOM 241 HZ PHE A 16 22.409 6.833 1.869 1.00 0.00 H ATOM 242 HE1 PHE A 16 22.161 8.347 3.828 1.00 0.00 H ATOM 243 HD1 PHE A 16 22.321 10.806 3.529 1.00 0.00 H ATOM 244 H PHE A 16 22.938 14.800 1.727 1.00 0.00 H ATOM 245 N ASP A 17 25.873 13.288 1.033 1.00 14.35 N ATOM 246 CA ASP A 17 27.293 13.032 0.709 1.00 14.82 C ATOM 247 C ASP A 17 28.175 13.097 1.970 1.00 15.01 C ATOM 248 O ASP A 17 28.964 12.184 2.234 1.00 14.78 O ATOM 249 CB ASP A 17 27.804 13.977 -0.379 1.00 14.77 C ATOM 250 CG ASP A 17 29.226 13.654 -0.811 1.00 16.98 C ATOM 251 OD1 ASP A 17 29.500 12.499 -1.228 1.00 20.97 O ATOM 252 OD2 ASP A 17 30.145 14.487 -0.751 1.00 18.34 O ATOM 253 HA ASP A 17 27.358 12.019 0.312 1.00 0.00 H ATOM 254 HB2 ASP A 17 27.149 13.899 -1.246 1.00 0.00 H ATOM 255 HB3 ASP A 17 27.778 14.997 0.003 1.00 0.00 H ATOM 256 H ASP A 17 25.397 14.124 0.637 1.00 0.00 H ATOM 257 N ASP A 18 28.038 14.177 2.742 1.00 14.98 N ATOM 258 CA ASP A 18 28.688 14.281 4.055 1.00 15.04 C ATOM 259 C ASP A 18 28.434 13.049 4.929 1.00 14.69 C ATOM 260 O ASP A 18 29.373 12.502 5.515 1.00 14.22 O ATOM 261 CB ASP A 18 28.245 15.553 4.791 1.00 15.43 C ATOM 262 CG ASP A 18 28.782 16.819 4.146 1.00 16.67 C ATOM 263 OD1 ASP A 18 29.759 16.725 3.357 1.00 15.29 O ATOM 264 OD2 ASP A 18 28.281 17.948 4.365 1.00 16.31 O ATOM 265 HA ASP A 18 29.760 14.336 3.868 1.00 0.00 H ATOM 266 HB2 ASP A 18 27.156 15.596 4.790 1.00 0.00 H ATOM 267 HB3 ASP A 18 28.605 15.505 5.819 1.00 0.00 H ATOM 268 H ASP A 18 27.454 14.968 2.404 1.00 0.00 H ATOM 269 N TYR A 19 27.175 12.598 4.992 1.00 14.23 N ATOM 270 CA TYR A 19 26.819 11.411 5.780 1.00 13.71 C ATOM 271 C TYR A 19 27.553 10.171 5.293 1.00 13.28 C ATOM 272 O TYR A 19 28.191 9.490 6.076 1.00 13.16 O ATOM 273 CB TYR A 19 25.298 11.166 5.814 1.00 13.38 C ATOM 274 CG TYR A 19 24.924 9.826 6.439 1.00 14.71 C ATOM 275 CD1 TYR A 19 24.850 9.667 7.831 1.00 14.27 C ATOM 276 CD2 TYR A 19 24.673 8.706 5.634 1.00 14.40 C ATOM 277 CE1 TYR A 19 24.520 8.439 8.402 1.00 13.94 C ATOM 278 CE2 TYR A 19 24.338 7.483 6.190 1.00 13.46 C ATOM 279 CZ TYR A 19 24.273 7.347 7.578 1.00 14.73 C ATOM 280 OH TYR A 19 23.949 6.115 8.127 1.00 14.79 O ATOM 281 HA TYR A 19 27.140 11.614 6.802 1.00 0.00 H ATOM 282 HB3 TYR A 19 24.919 11.191 4.792 1.00 0.00 H ATOM 283 HB2 TYR A 19 24.830 11.962 6.393 1.00 0.00 H ATOM 284 HD2 TYR A 19 24.743 8.800 4.550 1.00 0.00 H ATOM 285 HE2 TYR A 19 24.126 6.629 5.546 1.00 0.00 H ATOM 286 HE1 TYR A 19 24.456 8.336 9.485 1.00 0.00 H ATOM 287 HD1 TYR A 19 25.054 10.520 8.478 1.00 0.00 H ATOM 288 HH TYR A 19 23.945 6.186 9.114 1.00 0.00 H ATOM 289 H TYR A 19 26.430 13.101 4.469 1.00 0.00 H ATOM 290 N MET A 20 27.461 9.877 4.002 1.00 13.54 N ATOM 291 CA MET A 20 28.157 8.713 3.447 1.00 13.75 C ATOM 292 C MET A 20 29.659 8.794 3.722 1.00 14.39 C ATOM 293 O MET A 20 30.287 7.798 4.099 1.00 14.51 O ATOM 294 CB MET A 20 27.895 8.587 1.944 1.00 13.31 C ATOM 295 CG MET A 20 26.488 8.147 1.587 1.00 12.24 C ATOM 296 SD MET A 20 26.283 7.793 -0.175 1.00 13.60 S ATOM 297 CE MET A 20 26.264 9.447 -0.864 1.00 12.61 C ATOM 298 HA MET A 20 27.766 7.823 3.940 1.00 0.00 H ATOM 299 HB2 MET A 20 28.076 9.558 1.484 1.00 0.00 H ATOM 300 HB3 MET A 20 28.594 7.857 1.536 1.00 0.00 H ATOM 301 HG2 MET A 20 25.795 8.941 1.865 1.00 0.00 H ATOM 302 HG3 MET A 20 26.252 7.246 2.152 1.00 0.00 H ATOM 303 HE1 MET A 20 25.434 10.008 -0.435 1.00 0.00 H ATOM 304 HE2 MET A 20 27.203 9.948 -0.629 1.00 0.00 H ATOM 305 HE3 MET A 20 26.144 9.387 -1.946 1.00 0.00 H ATOM 306 H MET A 20 26.888 10.480 3.377 1.00 0.00 H ATOM 307 N LYS A 21 30.229 9.980 3.543 1.00 14.55 N ATOM 308 CA LYS A 21 31.657 10.175 3.778 1.00 15.99 C ATOM 309 C LYS A 21 32.012 9.817 5.222 1.00 16.52 C ATOM 310 O LYS A 21 32.963 9.065 5.471 1.00 15.76 O ATOM 311 CB LYS A 21 32.064 11.612 3.465 1.00 15.90 C ATOM 312 CG LYS A 21 33.561 11.797 3.371 1.00 18.20 C ATOM 313 CD LYS A 21 33.952 13.217 3.007 1.00 20.43 C ATOM 314 CE LYS A 21 35.489 13.300 2.902 1.00 24.23 C ATOM 315 NZ LYS A 21 35.959 14.651 2.468 1.00 28.15 N ATOM 316 HA LYS A 21 32.210 9.513 3.111 1.00 0.00 H ATOM 317 HB2 LYS A 21 31.618 11.900 2.513 1.00 0.00 H ATOM 318 HB3 LYS A 21 31.683 12.260 4.254 1.00 0.00 H ATOM 319 HG2 LYS A 21 34.005 11.549 4.335 1.00 0.00 H ATOM 320 HG3 LYS A 21 33.949 11.121 2.609 1.00 0.00 H ATOM 321 HD2 LYS A 21 33.504 13.486 2.050 1.00 0.00 H ATOM 322 HD3 LYS A 21 33.600 13.903 3.778 1.00 0.00 H ATOM 323 HE2 LYS A 21 35.831 12.561 2.178 1.00 0.00 H ATOM 324 HE3 LYS A 21 35.919 13.076 3.878 1.00 0.00 H ATOM 325 HZ1 LYS A 21 35.560 14.872 1.533 1.00 0.00 H ATOM 326 HZ2 LYS A 21 35.645 15.364 3.157 1.00 0.00 H ATOM 327 HZ3 LYS A 21 36.998 14.654 2.413 1.00 0.00 H ATOM 328 H LYS A 21 29.648 10.784 3.230 1.00 0.00 H ATOM 329 N GLU A 22 31.217 10.341 6.159 1.00 16.80 N ATOM 330 CA GLU A 22 31.399 10.092 7.591 1.00 17.89 C ATOM 331 C GLU A 22 31.247 8.614 7.948 1.00 17.61 C ATOM 332 O GLU A 22 31.917 8.109 8.844 1.00 17.68 O ATOM 333 CB GLU A 22 30.399 10.933 8.400 1.00 18.29 C ATOM 334 CG GLU A 22 30.859 11.249 9.811 1.00 20.99 C ATOM 335 CD GLU A 22 32.045 12.195 9.842 1.00 23.73 C ATOM 336 OE1 GLU A 22 32.182 13.025 8.925 1.00 25.93 O ATOM 337 OE2 GLU A 22 32.846 12.100 10.783 1.00 26.79 O ATOM 338 HA GLU A 22 32.418 10.383 7.845 1.00 0.00 H ATOM 339 HB2 GLU A 22 30.236 11.873 7.873 1.00 0.00 H ATOM 340 HB3 GLU A 22 29.459 10.384 8.460 1.00 0.00 H ATOM 341 HG2 GLU A 22 30.032 11.708 10.353 1.00 0.00 H ATOM 342 HG3 GLU A 22 31.142 10.318 10.303 1.00 0.00 H ATOM 343 H GLU A 22 30.433 10.954 5.858 1.00 0.00 H ATOM 344 N VAL A 23 30.368 7.922 7.237 1.00 17.65 N ATOM 345 CA VAL A 23 30.201 6.481 7.427 1.00 18.22 C ATOM 346 C VAL A 23 31.380 5.685 6.852 1.00 18.73 C ATOM 347 O VAL A 23 31.645 4.553 7.268 1.00 19.58 O ATOM 348 CB VAL A 23 28.883 5.987 6.798 1.00 18.12 C ATOM 349 CG1 VAL A 23 28.881 4.496 6.696 1.00 18.46 C ATOM 350 CG2 VAL A 23 27.700 6.460 7.625 1.00 18.03 C ATOM 351 HA VAL A 23 30.168 6.309 8.503 1.00 0.00 H ATOM 352 HB VAL A 23 28.798 6.402 5.794 1.00 0.00 H ATOM 353 HG11 VAL A 23 29.715 4.175 6.072 1.00 0.00 H ATOM 354 HG12 VAL A 23 28.983 4.065 7.692 1.00 0.00 H ATOM 355 HG13 VAL A 23 27.943 4.165 6.250 1.00 0.00 H ATOM 356 HG21 VAL A 23 27.784 6.064 8.637 1.00 0.00 H ATOM 357 HG22 VAL A 23 27.694 7.549 7.659 1.00 0.00 H ATOM 358 HG23 VAL A 23 26.775 6.105 7.170 1.00 0.00 H ATOM 359 H VAL A 23 29.785 8.413 6.530 1.00 0.00 H ATOM 360 N GLY A 24 32.081 6.260 5.887 1.00 18.60 N ATOM 361 CA GLY A 24 33.282 5.616 5.379 1.00 18.67 C ATOM 362 C GLY A 24 33.131 5.212 3.942 1.00 18.63 C ATOM 363 O GLY A 24 33.982 4.512 3.398 1.00 19.14 O ATOM 364 HA3 GLY A 24 33.486 4.727 5.976 1.00 0.00 H ATOM 365 HA2 GLY A 24 34.118 6.310 5.465 1.00 0.00 H ATOM 366 H GLY A 24 31.773 7.172 5.493 1.00 0.00 H ATOM 367 N VAL A 25 32.055 5.674 3.316 1.00 18.51 N ATOM 368 CA VAL A 25 31.784 5.353 1.919 1.00 18.74 C ATOM 369 C VAL A 25 32.834 5.987 1.015 1.00 19.55 C ATOM 370 O VAL A 25 33.090 7.197 1.082 1.00 19.44 O ATOM 371 CB VAL A 25 30.355 5.774 1.490 1.00 18.56 C ATOM 372 CG1 VAL A 25 30.089 5.385 0.055 1.00 18.76 C ATOM 373 CG2 VAL A 25 29.323 5.135 2.408 1.00 16.93 C ATOM 374 HA VAL A 25 31.840 4.269 1.814 1.00 0.00 H ATOM 375 HB VAL A 25 30.278 6.858 1.570 1.00 0.00 H ATOM 376 HG11 VAL A 25 30.811 5.880 -0.594 1.00 0.00 H ATOM 377 HG12 VAL A 25 30.184 4.304 -0.051 1.00 0.00 H ATOM 378 HG13 VAL A 25 29.080 5.691 -0.222 1.00 0.00 H ATOM 379 HG21 VAL A 25 29.409 4.050 2.350 1.00 0.00 H ATOM 380 HG22 VAL A 25 29.500 5.460 3.433 1.00 0.00 H ATOM 381 HG23 VAL A 25 28.324 5.439 2.096 1.00 0.00 H ATOM 382 H VAL A 25 31.388 6.280 3.835 1.00 0.00 H ATOM 383 N GLY A 26 33.450 5.148 0.184 1.00 20.36 N ATOM 384 CA GLY A 26 34.433 5.594 -0.793 1.00 21.35 C ATOM 385 C GLY A 26 33.813 6.500 -1.833 1.00 21.92 C ATOM 386 O GLY A 26 32.595 6.489 -2.030 1.00 21.77 O ATOM 387 HA3 GLY A 26 34.858 4.722 -1.291 1.00 0.00 H ATOM 388 HA2 GLY A 26 35.224 6.137 -0.276 1.00 0.00 H ATOM 389 H GLY A 26 33.220 4.135 0.235 1.00 0.00 H ATOM 390 N PHE A 27 34.656 7.275 -2.509 1.00 22.69 N ATOM 391 CA PHE A 27 34.192 8.305 -3.437 1.00 23.51 C ATOM 392 C PHE A 27 33.415 7.772 -4.636 1.00 23.68 C ATOM 393 O PHE A 27 32.475 8.427 -5.105 1.00 23.71 O ATOM 394 CB PHE A 27 35.351 9.163 -3.934 1.00 24.13 C ATOM 395 CG PHE A 27 34.935 10.259 -4.895 1.00 25.57 C ATOM 396 CD1 PHE A 27 34.671 11.546 -4.428 1.00 27.18 C ATOM 397 CD2 PHE A 27 34.818 10.006 -6.260 1.00 26.30 C ATOM 398 CE1 PHE A 27 34.295 12.567 -5.305 1.00 26.88 C ATOM 399 CE2 PHE A 27 34.433 11.014 -7.149 1.00 26.71 C ATOM 400 CZ PHE A 27 34.179 12.300 -6.669 1.00 27.20 C ATOM 401 HA PHE A 27 33.497 8.907 -2.852 1.00 0.00 H ATOM 402 HB2 PHE A 27 35.830 9.626 -3.071 1.00 0.00 H ATOM 403 HB3 PHE A 27 36.066 8.515 -4.441 1.00 0.00 H ATOM 404 HD2 PHE A 27 35.030 9.007 -6.641 1.00 0.00 H ATOM 405 HE2 PHE A 27 34.332 10.797 -8.212 1.00 0.00 H ATOM 406 HZ PHE A 27 33.891 13.093 -7.358 1.00 0.00 H ATOM 407 HE1 PHE A 27 34.093 13.568 -4.924 1.00 0.00 H ATOM 408 HD1 PHE A 27 34.759 11.759 -3.363 1.00 0.00 H ATOM 409 H PHE A 27 35.679 7.144 -2.373 1.00 0.00 H ATOM 410 N ALA A 28 33.829 6.613 -5.146 1.00 23.78 N ATOM 411 CA ALA A 28 33.212 6.046 -6.339 1.00 23.71 C ATOM 412 C ALA A 28 31.768 5.699 -6.036 1.00 23.10 C ATOM 413 O ALA A 28 30.886 5.932 -6.857 1.00 23.89 O ATOM 414 CB ALA A 28 33.968 4.809 -6.809 1.00 23.98 C ATOM 415 HA ALA A 28 33.250 6.783 -7.141 1.00 0.00 H ATOM 416 HB1 ALA A 28 34.997 5.081 -7.042 1.00 0.00 H ATOM 417 HB2 ALA A 28 33.959 4.058 -6.019 1.00 0.00 H ATOM 418 HB3 ALA A 28 33.486 4.407 -7.700 1.00 0.00 H ATOM 419 H ALA A 28 34.608 6.102 -4.684 1.00 0.00 H ATOM 420 N THR A 29 31.541 5.156 -4.848 1.00 22.44 N ATOM 421 CA THR A 29 30.210 4.781 -4.402 1.00 21.72 C ATOM 422 C THR A 29 29.330 6.004 -4.105 1.00 21.31 C ATOM 423 O THR A 29 28.183 6.052 -4.549 1.00 20.52 O ATOM 424 CB THR A 29 30.318 3.839 -3.202 1.00 21.70 C ATOM 425 OG1 THR A 29 30.952 2.631 -3.634 1.00 21.85 O ATOM 426 CG2 THR A 29 28.931 3.375 -2.715 1.00 20.59 C ATOM 427 HA THR A 29 29.710 4.251 -5.213 1.00 0.00 H ATOM 428 HB THR A 29 30.854 4.376 -2.419 1.00 0.00 H ATOM 429 HG1 THR A 29 31.854 2.840 -3.984 1.00 0.00 H ATOM 430 HG23 THR A 29 28.365 4.236 -2.361 1.00 0.00 H ATOM 431 HG21 THR A 29 28.398 2.902 -3.539 1.00 0.00 H ATOM 432 HG22 THR A 29 29.053 2.660 -1.901 1.00 0.00 H ATOM 433 H THR A 29 32.347 4.992 -4.211 1.00 0.00 H ATOM 434 N ARG A 30 29.882 6.990 -3.390 1.00 20.91 N ATOM 435 CA ARG A 30 29.162 8.230 -3.058 1.00 20.64 C ATOM 436 C ARG A 30 28.614 8.943 -4.285 1.00 20.88 C ATOM 437 O ARG A 30 27.493 9.460 -4.272 1.00 20.07 O ATOM 438 CB ARG A 30 30.060 9.197 -2.286 1.00 20.38 C ATOM 439 CG ARG A 30 30.400 8.753 -0.890 1.00 19.99 C ATOM 440 CD ARG A 30 30.828 9.870 0.050 1.00 22.67 C ATOM 441 NE ARG A 30 31.635 10.890 -0.621 1.00 26.32 N ATOM 442 CZ ARG A 30 32.961 10.885 -0.702 1.00 26.48 C ATOM 443 NH1 ARG A 30 33.672 9.911 -0.161 1.00 26.95 N ATOM 444 NH2 ARG A 30 33.576 11.869 -1.335 1.00 27.41 N ATOM 445 HA ARG A 30 28.319 7.926 -2.438 1.00 0.00 H ATOM 446 HB2 ARG A 30 30.990 9.316 -2.842 1.00 0.00 H ATOM 447 HB3 ARG A 30 29.551 10.159 -2.223 1.00 0.00 H ATOM 448 HG2 ARG A 30 29.521 8.270 -0.464 1.00 0.00 H ATOM 449 HG3 ARG A 30 31.215 8.032 -0.953 1.00 0.00 H ATOM 450 HD2 ARG A 30 31.414 9.439 0.862 1.00 0.00 H ATOM 451 HD3 ARG A 30 29.936 10.344 0.459 1.00 0.00 H ATOM 452 HE ARG A 30 31.131 11.681 -1.070 1.00 0.00 H ATOM 453 HH12 ARG A 30 34.709 9.922 -0.234 1.00 0.00 H ATOM 454 HH11 ARG A 30 33.194 9.133 0.337 1.00 0.00 H ATOM 455 HH22 ARG A 30 34.614 11.875 -1.404 1.00 0.00 H ATOM 456 HH21 ARG A 30 33.022 12.638 -1.764 1.00 0.00 H ATOM 457 H ARG A 30 30.860 6.876 -3.055 1.00 0.00 H ATOM 458 N LYS A 31 29.431 8.969 -5.336 1.00 21.27 N ATOM 459 CA LYS A 31 29.097 9.576 -6.609 1.00 21.84 C ATOM 460 C LYS A 31 27.771 9.023 -7.150 1.00 21.73 C ATOM 461 O LYS A 31 26.857 9.778 -7.466 1.00 22.31 O ATOM 462 CB LYS A 31 30.248 9.319 -7.601 1.00 22.41 C ATOM 463 CG LYS A 31 29.900 9.553 -9.073 1.00 23.81 C ATOM 464 CD LYS A 31 30.421 10.889 -9.543 1.00 27.35 C ATOM 465 CE LYS A 31 29.868 11.287 -10.910 1.00 27.68 C ATOM 466 NZ LYS A 31 30.567 12.511 -11.426 1.00 28.14 N ATOM 467 HA LYS A 31 28.968 10.650 -6.475 1.00 0.00 H ATOM 468 HB2 LYS A 31 31.074 9.981 -7.339 1.00 0.00 H ATOM 469 HB3 LYS A 31 30.565 8.282 -7.489 1.00 0.00 H ATOM 470 HG2 LYS A 31 30.347 8.763 -9.676 1.00 0.00 H ATOM 471 HG3 LYS A 31 28.817 9.530 -9.192 1.00 0.00 H ATOM 472 HD2 LYS A 31 30.137 11.650 -8.816 1.00 0.00 H ATOM 473 HD3 LYS A 31 31.508 10.837 -9.607 1.00 0.00 H ATOM 474 HE2 LYS A 31 28.802 11.494 -10.819 1.00 0.00 H ATOM 475 HE3 LYS A 31 30.019 10.466 -11.611 1.00 0.00 H ATOM 476 HZ1 LYS A 31 30.422 13.298 -10.761 1.00 0.00 H ATOM 477 HZ2 LYS A 31 31.584 12.315 -11.517 1.00 0.00 H ATOM 478 HZ3 LYS A 31 30.177 12.765 -12.356 1.00 0.00 H ATOM 479 H LYS A 31 30.367 8.526 -5.237 1.00 0.00 H ATOM 480 N VAL A 32 27.661 7.703 -7.233 1.00 21.28 N ATOM 481 CA VAL A 32 26.468 7.089 -7.824 1.00 21.38 C ATOM 482 C VAL A 32 25.292 7.087 -6.841 1.00 21.53 C ATOM 483 O VAL A 32 24.165 7.443 -7.212 1.00 21.91 O ATOM 484 CB VAL A 32 26.784 5.683 -8.364 1.00 21.03 C ATOM 485 CG1 VAL A 32 25.592 5.091 -9.077 1.00 21.72 C ATOM 486 CG2 VAL A 32 27.966 5.756 -9.312 1.00 21.21 C ATOM 487 HA VAL A 32 26.159 7.697 -8.674 1.00 0.00 H ATOM 488 HB VAL A 32 27.028 5.038 -7.520 1.00 0.00 H ATOM 489 HG11 VAL A 32 24.755 5.017 -8.383 1.00 0.00 H ATOM 490 HG12 VAL A 32 25.316 5.732 -9.914 1.00 0.00 H ATOM 491 HG13 VAL A 32 25.848 4.098 -9.447 1.00 0.00 H ATOM 492 HG21 VAL A 32 27.723 6.418 -10.143 1.00 0.00 H ATOM 493 HG22 VAL A 32 28.834 6.144 -8.779 1.00 0.00 H ATOM 494 HG23 VAL A 32 28.187 4.759 -9.693 1.00 0.00 H ATOM 495 H VAL A 32 28.428 7.099 -6.876 1.00 0.00 H ATOM 496 N ALA A 33 25.567 6.719 -5.589 1.00 21.49 N ATOM 497 CA ALA A 33 24.565 6.729 -4.525 1.00 21.80 C ATOM 498 C ALA A 33 23.937 8.104 -4.332 1.00 22.58 C ATOM 499 O ALA A 33 22.747 8.203 -4.035 1.00 22.64 O ATOM 500 CB ALA A 33 25.172 6.250 -3.220 1.00 21.40 C ATOM 501 HA ALA A 33 23.772 6.046 -4.830 1.00 0.00 H ATOM 502 HB1 ALA A 33 25.546 5.234 -3.346 1.00 0.00 H ATOM 503 HB2 ALA A 33 25.994 6.909 -2.940 1.00 0.00 H ATOM 504 HB3 ALA A 33 24.411 6.264 -2.440 1.00 0.00 H ATOM 505 H ALA A 33 26.534 6.412 -5.360 1.00 0.00 H ATOM 506 N GLY A 34 24.742 9.153 -4.494 1.00 23.39 N ATOM 507 CA GLY A 34 24.306 10.526 -4.272 1.00 25.22 C ATOM 508 C GLY A 34 23.351 11.043 -5.328 1.00 26.68 C ATOM 509 O GLY A 34 22.492 11.871 -5.036 1.00 26.91 O ATOM 510 HA3 GLY A 34 25.186 11.169 -4.260 1.00 0.00 H ATOM 511 HA2 GLY A 34 23.808 10.576 -3.304 1.00 0.00 H ATOM 512 H GLY A 34 25.724 8.985 -4.792 1.00 0.00 H ATOM 513 N MET A 35 23.509 10.558 -6.558 1.00 28.01 N ATOM 514 CA MET A 35 22.622 10.922 -7.664 1.00 29.64 C ATOM 515 C MET A 35 21.331 10.110 -7.629 1.00 28.21 C ATOM 516 O MET A 35 20.385 10.423 -8.348 1.00 28.13 O ATOM 517 CB MET A 35 23.303 10.697 -9.016 1.00 29.37 C ATOM 518 CG MET A 35 24.477 11.608 -9.324 1.00 31.88 C ATOM 519 SD MET A 35 25.234 11.209 -10.928 1.00 34.68 S ATOM 520 CE MET A 35 26.193 9.735 -10.543 1.00 35.80 C ATOM 521 HA MET A 35 22.389 11.980 -7.544 1.00 0.00 H ATOM 522 HB2 MET A 35 23.662 9.668 -9.043 1.00 0.00 H ATOM 523 HB3 MET A 35 22.555 10.840 -9.796 1.00 0.00 H ATOM 524 HG2 MET A 35 25.227 11.495 -8.541 1.00 0.00 H ATOM 525 HG3 MET A 35 24.128 12.640 -9.345 1.00 0.00 H ATOM 526 HE1 MET A 35 26.928 9.972 -9.773 1.00 0.00 H ATOM 527 HE2 MET A 35 25.525 8.953 -10.182 1.00 0.00 H ATOM 528 HE3 MET A 35 26.705 9.391 -11.442 1.00 0.00 H ATOM 529 H MET A 35 24.291 9.897 -6.739 1.00 0.00 H ATOM 530 N ALA A 36 21.305 9.068 -6.800 1.00 27.37 N ATOM 531 CA ALA A 36 20.171 8.146 -6.741 1.00 26.13 C ATOM 532 C ALA A 36 18.901 8.790 -6.191 1.00 25.25 C ATOM 533 O ALA A 36 18.928 9.529 -5.198 1.00 25.04 O ATOM 534 CB ALA A 36 20.535 6.889 -5.942 1.00 26.07 C ATOM 535 HA ALA A 36 19.950 7.862 -7.770 1.00 0.00 H ATOM 536 HB1 ALA A 36 21.374 6.386 -6.422 1.00 0.00 H ATOM 537 HB2 ALA A 36 20.812 7.173 -4.927 1.00 0.00 H ATOM 538 HB3 ALA A 36 19.676 6.218 -5.912 1.00 0.00 H ATOM 539 H ALA A 36 22.119 8.904 -6.173 1.00 0.00 H ATOM 540 N LYS A 37 17.792 8.515 -6.866 1.00 24.52 N ATOM 541 CA LYS A 37 16.463 8.858 -6.369 1.00 24.37 C ATOM 542 C LYS A 37 15.672 7.546 -6.190 1.00 23.01 C ATOM 543 O LYS A 37 14.869 7.157 -7.052 1.00 22.45 O ATOM 544 CB LYS A 37 15.760 9.842 -7.321 1.00 24.84 C ATOM 545 CG LYS A 37 16.410 11.245 -7.387 1.00 26.06 C ATOM 546 CD LYS A 37 16.006 11.980 -8.682 1.00 26.74 C ATOM 547 CE LYS A 37 15.882 13.517 -8.484 1.00 30.48 C ATOM 548 NZ LYS A 37 15.598 14.277 -9.777 1.00 28.66 N ATOM 549 HA LYS A 37 16.530 9.367 -5.408 1.00 0.00 H ATOM 550 HB2 LYS A 37 15.771 9.414 -8.323 1.00 0.00 H ATOM 551 HB3 LYS A 37 14.728 9.959 -6.989 1.00 0.00 H ATOM 552 HG2 LYS A 37 16.083 11.830 -6.528 1.00 0.00 H ATOM 553 HG3 LYS A 37 17.494 11.138 -7.361 1.00 0.00 H ATOM 554 HD2 LYS A 37 16.761 11.786 -9.444 1.00 0.00 H ATOM 555 HD3 LYS A 37 15.044 11.592 -9.018 1.00 0.00 H ATOM 556 HE2 LYS A 37 16.817 13.888 -8.064 1.00 0.00 H ATOM 557 HE3 LYS A 37 15.069 13.710 -7.784 1.00 0.00 H ATOM 558 HZ1 LYS A 37 16.371 14.111 -10.452 1.00 0.00 H ATOM 559 HZ2 LYS A 37 14.702 13.942 -10.185 1.00 0.00 H ATOM 560 HZ3 LYS A 37 15.528 15.294 -9.572 1.00 0.00 H ATOM 561 H LYS A 37 17.873 8.036 -7.786 1.00 0.00 H ATOM 562 N PRO A 38 15.928 6.850 -5.082 1.00 22.14 N ATOM 563 CA PRO A 38 15.379 5.510 -4.874 1.00 21.41 C ATOM 564 C PRO A 38 13.875 5.470 -4.656 1.00 20.57 C ATOM 565 O PRO A 38 13.269 6.463 -4.220 1.00 20.19 O ATOM 566 CB PRO A 38 16.085 5.046 -3.594 1.00 21.25 C ATOM 567 CG PRO A 38 16.424 6.287 -2.889 1.00 22.23 C ATOM 568 CD PRO A 38 16.773 7.271 -3.947 1.00 22.01 C ATOM 569 HA PRO A 38 15.541 4.890 -5.756 1.00 0.00 H ATOM 570 HD3 PRO A 38 16.531 8.287 -3.633 1.00 0.00 H ATOM 571 HD2 PRO A 38 17.831 7.213 -4.203 1.00 0.00 H ATOM 572 HG3 PRO A 38 17.273 6.127 -2.224 1.00 0.00 H ATOM 573 HG2 PRO A 38 15.571 6.639 -2.309 1.00 0.00 H ATOM 574 HB2 PRO A 38 15.420 4.429 -2.990 1.00 0.00 H ATOM 575 HB3 PRO A 38 16.986 4.481 -3.834 1.00 0.00 H ATOM 576 N ASN A 39 13.286 4.320 -4.953 1.00 19.74 N ATOM 577 CA ASN A 39 11.931 4.039 -4.522 1.00 19.74 C ATOM 578 C ASN A 39 11.993 3.127 -3.313 1.00 19.28 C ATOM 579 O ASN A 39 12.655 2.088 -3.352 1.00 20.12 O ATOM 580 CB ASN A 39 11.116 3.410 -5.651 1.00 19.85 C ATOM 581 CG ASN A 39 10.671 4.436 -6.675 1.00 21.61 C ATOM 582 OD1 ASN A 39 9.880 5.326 -6.366 1.00 23.91 O ATOM 583 ND2 ASN A 39 11.190 4.331 -7.893 1.00 22.16 N ATOM 584 HA ASN A 39 11.429 4.968 -4.251 1.00 0.00 H ATOM 585 HB2 ASN A 39 11.728 2.658 -6.150 1.00 0.00 H ATOM 586 HB3 ASN A 39 10.233 2.934 -5.224 1.00 0.00 H ATOM 587 HD22 ASN A 39 11.856 3.562 -8.110 1.00 0.00 H ATOM 588 HD21 ASN A 39 10.931 5.018 -8.630 1.00 0.00 H ATOM 589 H ASN A 39 13.805 3.607 -5.505 1.00 0.00 H ATOM 590 N MET A 40 11.333 3.523 -2.233 1.00 18.24 N ATOM 591 CA MET A 40 11.319 2.713 -1.022 1.00 17.74 C ATOM 592 C MET A 40 9.954 2.052 -0.853 1.00 16.68 C ATOM 593 O MET A 40 8.939 2.732 -0.810 1.00 16.84 O ATOM 594 CB MET A 40 11.690 3.557 0.201 1.00 17.60 C ATOM 595 CG MET A 40 11.532 2.819 1.527 1.00 18.15 C ATOM 596 SD MET A 40 12.152 3.706 2.954 1.00 20.18 S ATOM 597 CE MET A 40 11.178 5.205 2.883 1.00 19.85 C ATOM 598 HA MET A 40 12.069 1.927 -1.113 1.00 0.00 H ATOM 599 HB2 MET A 40 12.730 3.868 0.102 1.00 0.00 H ATOM 600 HB3 MET A 40 11.049 4.438 0.219 1.00 0.00 H ATOM 601 HG2 MET A 40 12.068 1.873 1.455 1.00 0.00 H ATOM 602 HG3 MET A 40 10.471 2.623 1.683 1.00 0.00 H ATOM 603 HE1 MET A 40 11.368 5.716 1.939 1.00 0.00 H ATOM 604 HE2 MET A 40 10.120 4.953 2.955 1.00 0.00 H ATOM 605 HE3 MET A 40 11.455 5.856 3.712 1.00 0.00 H ATOM 606 H MET A 40 10.817 4.426 -2.251 1.00 0.00 H ATOM 607 N ILE A 41 9.933 0.724 -0.789 1.00 15.97 N ATOM 608 CA ILE A 41 8.676 -0.030 -0.664 1.00 15.37 C ATOM 609 C ILE A 41 8.652 -0.721 0.692 1.00 14.95 C ATOM 610 O ILE A 41 9.481 -1.600 0.978 1.00 13.44 O ATOM 611 CB ILE A 41 8.513 -1.071 -1.804 1.00 15.47 C ATOM 612 CG1 ILE A 41 8.745 -0.416 -3.165 1.00 16.92 C ATOM 613 CG2 ILE A 41 7.110 -1.740 -1.745 1.00 15.74 C ATOM 614 CD1 ILE A 41 9.330 -1.339 -4.213 1.00 19.43 C ATOM 615 HA ILE A 41 7.841 0.666 -0.745 1.00 0.00 H ATOM 616 HB ILE A 41 9.264 -1.849 -1.666 1.00 0.00 H ATOM 617 HG12 ILE A 41 7.788 -0.046 -3.533 1.00 0.00 H ATOM 618 HG13 ILE A 41 9.429 0.422 -3.028 1.00 0.00 H ATOM 619 HD11 ILE A 41 10.296 -1.710 -3.870 1.00 0.00 H ATOM 620 HD12 ILE A 41 8.653 -2.178 -4.375 1.00 0.00 H ATOM 621 HD13 ILE A 41 9.461 -0.791 -5.146 1.00 0.00 H ATOM 622 HG21 ILE A 41 6.990 -2.246 -0.787 1.00 0.00 H ATOM 623 HG22 ILE A 41 6.340 -0.976 -1.853 1.00 0.00 H ATOM 624 HG23 ILE A 41 7.020 -2.465 -2.554 1.00 0.00 H ATOM 625 H ILE A 41 10.832 0.203 -0.828 1.00 0.00 H ATOM 626 N ILE A 42 7.709 -0.289 1.526 1.00 14.69 N ATOM 627 CA ILE A 42 7.544 -0.824 2.856 1.00 14.18 C ATOM 628 C ILE A 42 6.277 -1.648 2.915 1.00 14.43 C ATOM 629 O ILE A 42 5.212 -1.200 2.479 1.00 14.03 O ATOM 630 CB ILE A 42 7.501 0.308 3.903 1.00 14.35 C ATOM 631 CG1 ILE A 42 8.823 1.103 3.851 1.00 16.18 C ATOM 632 CG2 ILE A 42 7.218 -0.273 5.297 1.00 13.39 C ATOM 633 CD1 ILE A 42 8.847 2.356 4.663 1.00 18.19 C ATOM 634 HA ILE A 42 8.398 -1.460 3.088 1.00 0.00 H ATOM 635 HB ILE A 42 6.690 1.000 3.677 1.00 0.00 H ATOM 636 HG12 ILE A 42 9.621 0.453 4.210 1.00 0.00 H ATOM 637 HG13 ILE A 42 9.014 1.371 2.812 1.00 0.00 H ATOM 638 HD11 ILE A 42 8.066 3.030 4.312 1.00 0.00 H ATOM 639 HD12 ILE A 42 8.673 2.112 5.711 1.00 0.00 H ATOM 640 HD13 ILE A 42 9.819 2.838 4.557 1.00 0.00 H ATOM 641 HG21 ILE A 42 6.257 -0.788 5.286 1.00 0.00 H ATOM 642 HG22 ILE A 42 8.006 -0.977 5.563 1.00 0.00 H ATOM 643 HG23 ILE A 42 7.190 0.536 6.027 1.00 0.00 H ATOM 644 H ILE A 42 7.066 0.463 1.207 1.00 0.00 H ATOM 645 N SER A 43 6.403 -2.852 3.464 1.00 14.30 N ATOM 646 CA SER A 43 5.262 -3.744 3.646 1.00 14.60 C ATOM 647 C SER A 43 5.387 -4.461 4.978 1.00 15.35 C ATOM 648 O SER A 43 6.472 -4.485 5.569 1.00 14.93 O ATOM 649 CB SER A 43 5.173 -4.747 2.487 1.00 14.16 C ATOM 650 OG SER A 43 6.331 -5.571 2.424 1.00 12.84 O ATOM 651 HA SER A 43 4.343 -3.157 3.648 1.00 0.00 H ATOM 652 HB2 SER A 43 5.076 -4.199 1.550 1.00 0.00 H ATOM 653 HB3 SER A 43 4.296 -5.378 2.630 1.00 0.00 H ATOM 654 HG SER A 43 7.131 -5.004 2.289 1.00 0.00 H ATOM 655 H SER A 43 7.344 -3.168 3.774 1.00 0.00 H ATOM 656 N VAL A 44 4.275 -5.028 5.454 1.00 16.21 N ATOM 657 CA VAL A 44 4.244 -5.755 6.730 1.00 17.55 C ATOM 658 C VAL A 44 3.448 -7.048 6.555 1.00 18.38 C ATOM 659 O VAL A 44 2.349 -7.051 5.998 1.00 18.29 O ATOM 660 CB VAL A 44 3.651 -4.900 7.908 1.00 17.45 C ATOM 661 CG1 VAL A 44 3.859 -5.580 9.251 1.00 18.64 C ATOM 662 CG2 VAL A 44 4.294 -3.521 7.970 1.00 19.20 C ATOM 663 HA VAL A 44 5.274 -5.982 7.005 1.00 0.00 H ATOM 664 HB VAL A 44 2.584 -4.802 7.709 1.00 0.00 H ATOM 665 HG11 VAL A 44 3.364 -6.551 9.246 1.00 0.00 H ATOM 666 HG12 VAL A 44 4.926 -5.716 9.426 1.00 0.00 H ATOM 667 HG13 VAL A 44 3.436 -4.959 10.041 1.00 0.00 H ATOM 668 HG21 VAL A 44 5.367 -3.629 8.125 1.00 0.00 H ATOM 669 HG22 VAL A 44 4.112 -2.994 7.033 1.00 0.00 H ATOM 670 HG23 VAL A 44 3.861 -2.956 8.796 1.00 0.00 H ATOM 671 H VAL A 44 3.398 -4.952 4.900 1.00 0.00 H ATOM 672 N ASN A 45 4.034 -8.145 7.006 1.00 19.71 N ATOM 673 CA ASN A 45 3.366 -9.442 7.035 1.00 21.30 C ATOM 674 C ASN A 45 3.463 -9.969 8.475 1.00 21.56 C ATOM 675 O ASN A 45 4.460 -10.573 8.858 1.00 21.59 O ATOM 676 CB ASN A 45 4.032 -10.402 6.038 1.00 21.28 C ATOM 677 CG ASN A 45 3.806 -9.994 4.575 1.00 23.23 C ATOM 678 OD1 ASN A 45 2.697 -10.105 4.052 1.00 24.55 O ATOM 679 ND2 ASN A 45 4.866 -9.533 3.913 1.00 24.08 N ATOM 680 HA ASN A 45 2.320 -9.355 6.741 1.00 0.00 H ATOM 681 HB2 ASN A 45 5.104 -10.418 6.233 1.00 0.00 H ATOM 682 HB3 ASN A 45 3.621 -11.400 6.189 1.00 0.00 H ATOM 683 HD22 ASN A 45 5.785 -9.455 4.393 1.00 0.00 H ATOM 684 HD21 ASN A 45 4.774 -9.251 2.916 1.00 0.00 H ATOM 685 H ASN A 45 5.012 -8.080 7.354 1.00 0.00 H ATOM 686 N GLY A 46 2.440 -9.688 9.275 1.00 22.13 N ATOM 687 CA GLY A 46 2.439 -10.019 10.697 1.00 22.31 C ATOM 688 C GLY A 46 3.462 -9.225 11.493 1.00 22.25 C ATOM 689 O GLY A 46 3.425 -7.993 11.536 1.00 22.48 O ATOM 690 HA3 GLY A 46 2.661 -11.080 10.807 1.00 0.00 H ATOM 691 HA2 GLY A 46 1.448 -9.813 11.101 1.00 0.00 H ATOM 692 H GLY A 46 1.607 -9.213 8.872 1.00 0.00 H ATOM 693 N ASP A 47 4.386 -9.925 12.133 1.00 22.28 N ATOM 694 CA ASP A 47 5.421 -9.220 12.875 1.00 22.30 C ATOM 695 C ASP A 47 6.708 -8.983 12.061 1.00 21.08 C ATOM 696 O ASP A 47 7.670 -8.404 12.565 1.00 20.71 O ATOM 697 CB ASP A 47 5.660 -9.849 14.253 1.00 23.53 C ATOM 698 CG ASP A 47 5.814 -11.343 14.199 1.00 26.13 C ATOM 699 OD1 ASP A 47 6.668 -11.812 13.412 1.00 30.99 O ATOM 700 OD2 ASP A 47 5.141 -12.124 14.917 1.00 25.60 O ATOM 701 HA ASP A 47 5.042 -8.216 13.064 1.00 0.00 H ATOM 702 HB2 ASP A 47 6.568 -9.421 14.677 1.00 0.00 H ATOM 703 HB3 ASP A 47 4.813 -9.610 14.896 1.00 0.00 H ATOM 704 H ASP A 47 4.372 -10.965 12.106 1.00 0.00 H ATOM 705 N VAL A 48 6.688 -9.379 10.786 1.00 19.81 N ATOM 706 CA VAL A 48 7.822 -9.166 9.887 1.00 18.53 C ATOM 707 C VAL A 48 7.585 -7.954 8.986 1.00 17.78 C ATOM 708 O VAL A 48 6.621 -7.919 8.207 1.00 17.49 O ATOM 709 CB VAL A 48 8.127 -10.409 9.012 1.00 19.15 C ATOM 710 CG1 VAL A 48 9.365 -10.177 8.149 1.00 18.27 C ATOM 711 CG2 VAL A 48 8.292 -11.679 9.874 1.00 18.78 C ATOM 712 HA VAL A 48 8.688 -8.984 10.523 1.00 0.00 H ATOM 713 HB VAL A 48 7.274 -10.564 8.352 1.00 0.00 H ATOM 714 HG11 VAL A 48 9.196 -9.321 7.496 1.00 0.00 H ATOM 715 HG12 VAL A 48 10.223 -9.981 8.792 1.00 0.00 H ATOM 716 HG13 VAL A 48 9.557 -11.064 7.545 1.00 0.00 H ATOM 717 HG21 VAL A 48 9.116 -11.537 10.573 1.00 0.00 H ATOM 718 HG22 VAL A 48 7.371 -11.863 10.428 1.00 0.00 H ATOM 719 HG23 VAL A 48 8.505 -12.530 9.227 1.00 0.00 H ATOM 720 H VAL A 48 5.838 -9.854 10.420 1.00 0.00 H ATOM 721 N ILE A 49 8.476 -6.968 9.106 1.00 16.03 N ATOM 722 CA ILE A 49 8.449 -5.764 8.282 1.00 15.20 C ATOM 723 C ILE A 49 9.528 -5.854 7.202 1.00 13.98 C ATOM 724 O ILE A 49 10.669 -6.199 7.495 1.00 12.80 O ATOM 725 CB ILE A 49 8.670 -4.494 9.154 1.00 14.71 C ATOM 726 CG1 ILE A 49 7.530 -4.326 10.161 1.00 16.17 C ATOM 727 CG2 ILE A 49 8.808 -3.241 8.274 1.00 15.09 C ATOM 728 CD1 ILE A 49 7.863 -3.384 11.331 1.00 17.06 C ATOM 729 HA ILE A 49 7.470 -5.687 7.809 1.00 0.00 H ATOM 730 HB ILE A 49 9.600 -4.621 9.708 1.00 0.00 H ATOM 731 HG12 ILE A 49 6.663 -3.926 9.635 1.00 0.00 H ATOM 732 HG13 ILE A 49 7.285 -5.307 10.569 1.00 0.00 H ATOM 733 HD11 ILE A 49 8.721 -3.775 11.878 1.00 0.00 H ATOM 734 HD12 ILE A 49 8.099 -2.393 10.942 1.00 0.00 H ATOM 735 HD13 ILE A 49 7.004 -3.319 11.999 1.00 0.00 H ATOM 736 HG21 ILE A 49 9.661 -3.360 7.605 1.00 0.00 H ATOM 737 HG22 ILE A 49 7.899 -3.109 7.686 1.00 0.00 H ATOM 738 HG23 ILE A 49 8.962 -2.368 8.908 1.00 0.00 H ATOM 739 H ILE A 49 9.225 -7.062 9.821 1.00 0.00 H ATOM 740 N THR A 50 9.154 -5.526 5.967 1.00 12.66 N ATOM 741 CA THR A 50 10.080 -5.534 4.837 1.00 12.00 C ATOM 742 C THR A 50 10.265 -4.107 4.300 1.00 12.14 C ATOM 743 O THR A 50 9.284 -3.420 3.989 1.00 11.38 O ATOM 744 CB THR A 50 9.570 -6.497 3.731 1.00 11.47 C ATOM 745 OG1 THR A 50 9.523 -7.840 4.239 1.00 11.26 O ATOM 746 CG2 THR A 50 10.590 -6.610 2.579 1.00 11.52 C ATOM 747 HA THR A 50 11.052 -5.897 5.170 1.00 0.00 H ATOM 748 HB THR A 50 8.605 -6.106 3.409 1.00 0.00 H ATOM 749 HG1 THR A 50 8.909 -7.877 5.015 1.00 0.00 H ATOM 750 HG23 THR A 50 10.713 -5.635 2.107 1.00 0.00 H ATOM 751 HG21 THR A 50 11.548 -6.946 2.975 1.00 0.00 H ATOM 752 HG22 THR A 50 10.227 -7.328 1.844 1.00 0.00 H ATOM 753 H THR A 50 8.164 -5.254 5.800 1.00 0.00 H ATOM 754 N ILE A 51 11.518 -3.652 4.229 1.00 12.44 N ATOM 755 CA ILE A 51 11.832 -2.380 3.559 1.00 12.96 C ATOM 756 C ILE A 51 12.788 -2.639 2.398 1.00 13.05 C ATOM 757 O ILE A 51 13.928 -3.097 2.592 1.00 12.81 O ATOM 758 CB ILE A 51 12.410 -1.311 4.525 1.00 13.03 C ATOM 759 CG1 ILE A 51 11.396 -0.971 5.628 1.00 13.34 C ATOM 760 CG2 ILE A 51 12.847 -0.046 3.733 1.00 13.07 C ATOM 761 CD1 ILE A 51 12.003 -0.403 6.920 1.00 13.13 C ATOM 762 HA ILE A 51 10.896 -1.968 3.181 1.00 0.00 H ATOM 763 HB ILE A 51 13.295 -1.719 5.012 1.00 0.00 H ATOM 764 HG12 ILE A 51 10.698 -0.234 5.230 1.00 0.00 H ATOM 765 HG13 ILE A 51 10.854 -1.882 5.881 1.00 0.00 H ATOM 766 HD11 ILE A 51 12.694 -1.130 7.346 1.00 0.00 H ATOM 767 HD12 ILE A 51 12.538 0.519 6.694 1.00 0.00 H ATOM 768 HD13 ILE A 51 11.206 -0.196 7.634 1.00 0.00 H ATOM 769 HG21 ILE A 51 13.612 -0.320 3.006 1.00 0.00 H ATOM 770 HG22 ILE A 51 11.984 0.372 3.214 1.00 0.00 H ATOM 771 HG23 ILE A 51 13.250 0.693 4.425 1.00 0.00 H ATOM 772 H ILE A 51 12.287 -4.207 4.655 1.00 0.00 H ATOM 773 N LYS A 52 12.288 -2.361 1.198 1.00 12.85 N ATOM 774 CA LYS A 52 13.046 -2.469 -0.040 1.00 13.63 C ATOM 775 C LYS A 52 13.457 -1.067 -0.455 1.00 13.93 C ATOM 776 O LYS A 52 12.710 -0.112 -0.233 1.00 13.54 O ATOM 777 CB LYS A 52 12.160 -3.037 -1.161 1.00 13.31 C ATOM 778 CG LYS A 52 11.595 -4.428 -0.904 1.00 15.25 C ATOM 779 CD LYS A 52 10.794 -4.918 -2.101 1.00 14.79 C ATOM 780 CE LYS A 52 10.253 -6.337 -1.887 1.00 15.91 C ATOM 781 NZ LYS A 52 9.570 -6.799 -3.133 1.00 16.58 N ATOM 782 HA LYS A 52 13.905 -3.122 0.118 1.00 0.00 H ATOM 783 HB2 LYS A 52 11.322 -2.355 -1.307 1.00 0.00 H ATOM 784 HB3 LYS A 52 12.756 -3.079 -2.073 1.00 0.00 H ATOM 785 HG2 LYS A 52 12.417 -5.119 -0.717 1.00 0.00 H ATOM 786 HG3 LYS A 52 10.945 -4.394 -0.029 1.00 0.00 H ATOM 787 HD2 LYS A 52 9.955 -4.242 -2.264 1.00 0.00 H ATOM 788 HD3 LYS A 52 11.438 -4.915 -2.981 1.00 0.00 H ATOM 789 HE2 LYS A 52 9.542 -6.335 -1.061 1.00 0.00 H ATOM 790 HE3 LYS A 52 11.078 -7.010 -1.653 1.00 0.00 H ATOM 791 HZ1 LYS A 52 8.783 -6.156 -3.355 1.00 0.00 H ATOM 792 HZ2 LYS A 52 10.250 -6.800 -3.920 1.00 0.00 H ATOM 793 HZ3 LYS A 52 9.203 -7.761 -2.989 1.00 0.00 H ATOM 794 H LYS A 52 11.298 -2.048 1.140 1.00 0.00 H ATOM 795 N SER A 53 14.624 -0.955 -1.081 1.00 14.32 N ATOM 796 CA SER A 53 15.029 0.277 -1.743 1.00 14.71 C ATOM 797 C SER A 53 15.508 -0.094 -3.145 1.00 15.26 C ATOM 798 O SER A 53 16.421 -0.913 -3.304 1.00 14.90 O ATOM 799 CB SER A 53 16.125 1.006 -0.957 1.00 15.28 C ATOM 800 OG SER A 53 16.561 2.182 -1.646 1.00 15.80 O ATOM 801 HA SER A 53 14.186 0.966 -1.798 1.00 0.00 H ATOM 802 HB2 SER A 53 16.974 0.335 -0.825 1.00 0.00 H ATOM 803 HB3 SER A 53 15.733 1.290 0.020 1.00 0.00 H ATOM 804 HG SER A 53 16.922 1.929 -2.532 1.00 0.00 H ATOM 805 H SER A 53 15.267 -1.772 -1.099 1.00 0.00 H ATOM 806 N GLU A 54 14.880 0.511 -4.148 1.00 15.00 N ATOM 807 CA GLU A 54 15.177 0.238 -5.547 1.00 15.86 C ATOM 808 C GLU A 54 15.691 1.501 -6.204 1.00 15.25 C ATOM 809 O GLU A 54 15.063 2.552 -6.096 1.00 15.11 O ATOM 810 CB GLU A 54 13.912 -0.248 -6.284 1.00 15.61 C ATOM 811 CG GLU A 54 13.318 -1.518 -5.674 1.00 18.60 C ATOM 812 CD GLU A 54 12.085 -2.046 -6.394 1.00 19.53 C ATOM 813 OE1 GLU A 54 11.518 -1.340 -7.259 1.00 22.77 O ATOM 814 OE2 GLU A 54 11.673 -3.187 -6.069 1.00 26.59 O ATOM 815 HA GLU A 54 15.934 -0.544 -5.601 1.00 0.00 H ATOM 816 HB2 GLU A 54 13.161 0.541 -6.244 1.00 0.00 H ATOM 817 HB3 GLU A 54 14.171 -0.449 -7.324 1.00 0.00 H ATOM 818 HG2 GLU A 54 14.082 -2.295 -5.692 1.00 0.00 H ATOM 819 HG3 GLU A 54 13.044 -1.304 -4.641 1.00 0.00 H ATOM 820 H GLU A 54 14.144 1.210 -3.924 1.00 0.00 H ATOM 821 N SER A 55 16.843 1.401 -6.863 1.00 14.99 N ATOM 822 CA SER A 55 17.376 2.496 -7.682 1.00 15.20 C ATOM 823 C SER A 55 18.399 1.932 -8.645 1.00 15.37 C ATOM 824 O SER A 55 18.849 0.794 -8.469 1.00 15.28 O ATOM 825 CB SER A 55 18.021 3.586 -6.811 1.00 14.87 C ATOM 826 OG SER A 55 19.219 3.129 -6.201 1.00 13.62 O ATOM 827 HA SER A 55 16.554 2.956 -8.231 1.00 0.00 H ATOM 828 HB2 SER A 55 17.317 3.879 -6.032 1.00 0.00 H ATOM 829 HB3 SER A 55 18.249 4.449 -7.436 1.00 0.00 H ATOM 830 HG SER A 55 19.018 2.348 -5.627 1.00 0.00 H ATOM 831 H SER A 55 17.385 0.516 -6.795 1.00 0.00 H ATOM 832 N THR A 56 18.767 2.723 -9.656 1.00 16.25 N ATOM 833 CA THR A 56 19.796 2.308 -10.613 1.00 16.91 C ATOM 834 C THR A 56 21.150 2.103 -9.932 1.00 16.99 C ATOM 835 O THR A 56 22.003 1.370 -10.442 1.00 17.29 O ATOM 836 CB THR A 56 19.913 3.305 -11.795 1.00 17.29 C ATOM 837 OG1 THR A 56 20.290 4.600 -11.320 1.00 17.35 O ATOM 838 CG2 THR A 56 18.533 3.553 -12.436 1.00 18.78 C ATOM 839 HA THR A 56 19.482 1.347 -11.021 1.00 0.00 H ATOM 840 HB THR A 56 20.635 2.873 -12.488 1.00 0.00 H ATOM 841 HG1 THR A 56 19.605 4.930 -10.686 1.00 0.00 H ATOM 842 HG23 THR A 56 18.146 2.616 -12.837 1.00 0.00 H ATOM 843 HG21 THR A 56 17.847 3.937 -11.681 1.00 0.00 H ATOM 844 HG22 THR A 56 18.633 4.281 -13.241 1.00 0.00 H ATOM 845 H THR A 56 18.314 3.653 -9.766 1.00 0.00 H ATOM 846 N PHE A 57 21.336 2.744 -8.778 1.00 16.82 N ATOM 847 CA PHE A 57 22.534 2.537 -7.974 1.00 17.37 C ATOM 848 C PHE A 57 22.617 1.103 -7.397 1.00 17.65 C ATOM 849 O PHE A 57 23.593 0.379 -7.633 1.00 18.01 O ATOM 850 CB PHE A 57 22.623 3.567 -6.834 1.00 16.81 C ATOM 851 CG PHE A 57 23.604 3.180 -5.759 1.00 16.67 C ATOM 852 CD1 PHE A 57 24.915 2.832 -6.092 1.00 16.24 C ATOM 853 CD2 PHE A 57 23.211 3.118 -4.425 1.00 16.45 C ATOM 854 CE1 PHE A 57 25.829 2.436 -5.100 1.00 18.32 C ATOM 855 CE2 PHE A 57 24.115 2.743 -3.425 1.00 17.25 C ATOM 856 CZ PHE A 57 25.425 2.400 -3.763 1.00 16.54 C ATOM 857 HA PHE A 57 23.382 2.674 -8.645 1.00 0.00 H ATOM 858 HB2 PHE A 57 22.930 4.524 -7.255 1.00 0.00 H ATOM 859 HB3 PHE A 57 21.636 3.670 -6.382 1.00 0.00 H ATOM 860 HD2 PHE A 57 22.184 3.365 -4.156 1.00 0.00 H ATOM 861 HE2 PHE A 57 23.796 2.719 -2.383 1.00 0.00 H ATOM 862 HZ PHE A 57 26.131 2.105 -2.986 1.00 0.00 H ATOM 863 HE1 PHE A 57 26.847 2.159 -5.372 1.00 0.00 H ATOM 864 HD1 PHE A 57 25.233 2.868 -7.134 1.00 0.00 H ATOM 865 H PHE A 57 20.609 3.408 -8.443 1.00 0.00 H ATOM 866 N LYS A 58 21.604 0.714 -6.628 1.00 17.67 N ATOM 867 CA LYS A 58 21.586 -0.595 -5.978 1.00 18.31 C ATOM 868 C LYS A 58 20.159 -0.911 -5.555 1.00 17.30 C ATOM 869 O LYS A 58 19.399 -0.005 -5.214 1.00 16.83 O ATOM 870 CB LYS A 58 22.530 -0.599 -4.755 1.00 18.85 C ATOM 871 CG LYS A 58 22.964 -1.993 -4.295 1.00 20.57 C ATOM 872 CD LYS A 58 24.187 -1.965 -3.377 1.00 20.73 C ATOM 873 CE LYS A 58 24.536 -3.376 -2.863 1.00 23.47 C ATOM 874 NZ LYS A 58 25.473 -3.442 -1.655 1.00 24.94 N ATOM 875 HA LYS A 58 21.936 -1.358 -6.674 1.00 0.00 H ATOM 876 HB2 LYS A 58 23.424 -0.031 -5.012 1.00 0.00 H ATOM 877 HB3 LYS A 58 22.017 -0.111 -3.926 1.00 0.00 H ATOM 878 HG2 LYS A 58 22.136 -2.455 -3.757 1.00 0.00 H ATOM 879 HG3 LYS A 58 23.203 -2.591 -5.175 1.00 0.00 H ATOM 880 HD2 LYS A 58 25.038 -1.568 -3.931 1.00 0.00 H ATOM 881 HD3 LYS A 58 23.977 -1.319 -2.525 1.00 0.00 H ATOM 882 HE2 LYS A 58 25.008 -3.921 -3.681 1.00 0.00 H ATOM 883 HE3 LYS A 58 23.604 -3.870 -2.589 1.00 0.00 H ATOM 884 HZ1 LYS A 58 26.379 -2.991 -1.895 1.00 0.00 H ATOM 885 HZ2 LYS A 58 25.038 -2.943 -0.853 1.00 0.00 H ATOM 886 HZ3 LYS A 58 25.637 -4.437 -1.399 1.00 0.00 H ATOM 887 H LYS A 58 20.802 1.360 -6.485 1.00 0.00 H ATOM 888 N ASN A 59 19.785 -2.187 -5.624 1.00 16.60 N ATOM 889 CA ASN A 59 18.600 -2.666 -4.938 1.00 16.60 C ATOM 890 C ASN A 59 18.997 -3.256 -3.589 1.00 16.25 C ATOM 891 O ASN A 59 19.919 -4.080 -3.513 1.00 16.51 O ATOM 892 CB ASN A 59 17.843 -3.696 -5.794 1.00 17.35 C ATOM 893 CG ASN A 59 17.174 -3.072 -7.034 1.00 19.02 C ATOM 894 OD1 ASN A 59 17.303 -1.868 -7.300 1.00 19.95 O ATOM 895 ND2 ASN A 59 16.455 -3.897 -7.790 1.00 21.39 N ATOM 896 HA ASN A 59 17.924 -1.827 -4.771 1.00 0.00 H ATOM 897 HB2 ASN A 59 18.548 -4.458 -6.126 1.00 0.00 H ATOM 898 HB3 ASN A 59 17.072 -4.160 -5.179 1.00 0.00 H ATOM 899 HD22 ASN A 59 16.372 -4.901 -7.531 1.00 0.00 H ATOM 900 HD21 ASN A 59 15.975 -3.538 -8.640 1.00 0.00 H ATOM 901 H ASN A 59 20.355 -2.855 -6.182 1.00 0.00 H ATOM 902 N THR A 60 18.348 -2.814 -2.516 1.00 15.36 N ATOM 903 CA THR A 60 18.552 -3.447 -1.201 1.00 14.97 C ATOM 904 C THR A 60 17.232 -3.825 -0.575 1.00 14.69 C ATOM 905 O THR A 60 16.187 -3.274 -0.935 1.00 14.57 O ATOM 906 CB THR A 60 19.305 -2.547 -0.195 1.00 14.88 C ATOM 907 OG1 THR A 60 18.555 -1.348 0.030 1.00 15.29 O ATOM 908 CG2 THR A 60 20.673 -2.094 -0.729 1.00 15.22 C ATOM 909 HA THR A 60 19.161 -4.328 -1.402 1.00 0.00 H ATOM 910 HB THR A 60 19.435 -3.139 0.711 1.00 0.00 H ATOM 911 HG1 THR A 60 19.039 -0.773 0.675 1.00 0.00 H ATOM 912 HG23 THR A 60 21.294 -2.969 -0.921 1.00 0.00 H ATOM 913 HG21 THR A 60 20.533 -1.536 -1.655 1.00 0.00 H ATOM 914 HG22 THR A 60 21.158 -1.458 0.011 1.00 0.00 H ATOM 915 H THR A 60 17.690 -2.014 -2.606 1.00 0.00 H ATOM 916 N GLU A 61 17.300 -4.746 0.386 1.00 13.97 N ATOM 917 CA GLU A 61 16.124 -5.195 1.113 1.00 13.69 C ATOM 918 C GLU A 61 16.489 -5.686 2.497 1.00 13.68 C ATOM 919 O GLU A 61 17.424 -6.474 2.655 1.00 13.60 O ATOM 920 CB GLU A 61 15.410 -6.317 0.354 1.00 13.34 C ATOM 921 CG GLU A 61 14.207 -6.905 1.093 1.00 13.31 C ATOM 922 CD GLU A 61 13.436 -7.908 0.245 1.00 14.41 C ATOM 923 OE1 GLU A 61 13.227 -7.639 -0.962 1.00 11.49 O ATOM 924 OE2 GLU A 61 13.034 -8.964 0.792 1.00 15.09 O ATOM 925 HA GLU A 61 15.456 -4.339 1.206 1.00 0.00 H ATOM 926 HB2 GLU A 61 15.065 -5.919 -0.600 1.00 0.00 H ATOM 927 HB3 GLU A 61 16.126 -7.118 0.174 1.00 0.00 H ATOM 928 HG2 GLU A 61 14.561 -7.407 1.994 1.00 0.00 H ATOM 929 HG3 GLU A 61 13.536 -6.093 1.371 1.00 0.00 H ATOM 930 H GLU A 61 18.225 -5.157 0.624 1.00 0.00 H ATOM 931 N ILE A 62 15.736 -5.228 3.497 1.00 13.76 N ATOM 932 CA ILE A 62 15.808 -5.814 4.837 1.00 14.03 C ATOM 933 C ILE A 62 14.439 -6.304 5.307 1.00 14.26 C ATOM 934 O ILE A 62 13.422 -5.653 5.078 1.00 14.33 O ATOM 935 CB ILE A 62 16.436 -4.825 5.872 1.00 14.20 C ATOM 936 CG1 ILE A 62 15.656 -3.507 5.943 1.00 14.35 C ATOM 937 CG2 ILE A 62 17.926 -4.591 5.564 1.00 13.59 C ATOM 938 CD1 ILE A 62 16.041 -2.586 7.128 1.00 13.27 C ATOM 939 HA ILE A 62 16.468 -6.679 4.771 1.00 0.00 H ATOM 940 HB ILE A 62 16.367 -5.283 6.859 1.00 0.00 H ATOM 941 HG12 ILE A 62 15.831 -2.959 5.017 1.00 0.00 H ATOM 942 HG13 ILE A 62 14.596 -3.745 6.029 1.00 0.00 H ATOM 943 HD11 ILE A 62 15.860 -3.109 8.067 1.00 0.00 H ATOM 944 HD12 ILE A 62 17.096 -2.323 7.054 1.00 0.00 H ATOM 945 HD13 ILE A 62 15.436 -1.680 7.093 1.00 0.00 H ATOM 946 HG21 ILE A 62 18.459 -5.540 5.614 1.00 0.00 H ATOM 947 HG22 ILE A 62 18.027 -4.168 4.565 1.00 0.00 H ATOM 948 HG23 ILE A 62 18.343 -3.900 6.296 1.00 0.00 H ATOM 949 H ILE A 62 15.083 -4.437 3.322 1.00 0.00 H ATOM 950 N SER A 63 14.425 -7.455 5.969 1.00 14.57 N ATOM 951 CA SER A 63 13.223 -7.949 6.646 1.00 15.01 C ATOM 952 C SER A 63 13.569 -8.201 8.107 1.00 14.91 C ATOM 953 O SER A 63 14.604 -8.794 8.401 1.00 15.28 O ATOM 954 CB SER A 63 12.706 -9.230 5.985 1.00 15.20 C ATOM 955 OG SER A 63 12.066 -8.929 4.759 1.00 16.24 O ATOM 956 HA SER A 63 12.429 -7.206 6.572 1.00 0.00 H ATOM 957 HB2 SER A 63 11.994 -9.717 6.652 1.00 0.00 H ATOM 958 HB3 SER A 63 13.544 -9.901 5.798 1.00 0.00 H ATOM 959 HG SER A 63 11.303 -8.322 4.927 1.00 0.00 H ATOM 960 H SER A 63 15.295 -8.024 6.008 1.00 0.00 H ATOM 961 N PHE A 64 12.716 -7.742 9.018 1.00 14.64 N ATOM 962 CA PHE A 64 13.062 -7.762 10.429 1.00 14.93 C ATOM 963 C PHE A 64 11.822 -7.782 11.310 1.00 15.46 C ATOM 964 O PHE A 64 10.709 -7.433 10.866 1.00 16.17 O ATOM 965 CB PHE A 64 13.911 -6.525 10.773 1.00 14.46 C ATOM 966 CG PHE A 64 13.248 -5.224 10.417 1.00 14.59 C ATOM 967 CD1 PHE A 64 13.291 -4.738 9.103 1.00 13.96 C ATOM 968 CD2 PHE A 64 12.552 -4.499 11.376 1.00 14.35 C ATOM 969 CE1 PHE A 64 12.659 -3.539 8.768 1.00 12.29 C ATOM 970 CE2 PHE A 64 11.911 -3.302 11.049 1.00 13.80 C ATOM 971 CZ PHE A 64 11.972 -2.823 9.740 1.00 13.28 C ATOM 972 HA PHE A 64 13.630 -8.673 10.620 1.00 0.00 H ATOM 973 HB2 PHE A 64 14.109 -6.530 11.845 1.00 0.00 H ATOM 974 HB3 PHE A 64 14.854 -6.592 10.230 1.00 0.00 H ATOM 975 HD2 PHE A 64 12.505 -4.870 12.400 1.00 0.00 H ATOM 976 HE2 PHE A 64 11.366 -2.745 11.812 1.00 0.00 H ATOM 977 HZ PHE A 64 11.480 -1.886 9.480 1.00 0.00 H ATOM 978 HE1 PHE A 64 12.705 -3.165 7.745 1.00 0.00 H ATOM 979 HD1 PHE A 64 13.823 -5.301 8.336 1.00 0.00 H ATOM 980 H PHE A 64 11.794 -7.366 8.718 1.00 0.00 H ATOM 981 N ILE A 65 12.030 -8.187 12.560 1.00 15.51 N ATOM 982 CA ILE A 65 11.042 -8.027 13.630 1.00 15.92 C ATOM 983 C ILE A 65 11.547 -6.934 14.571 1.00 15.54 C ATOM 984 O ILE A 65 12.717 -6.933 14.943 1.00 15.87 O ATOM 985 CB ILE A 65 10.856 -9.367 14.389 1.00 16.03 C ATOM 986 CG1 ILE A 65 10.204 -10.413 13.467 1.00 15.98 C ATOM 987 CG2 ILE A 65 10.049 -9.165 15.695 1.00 16.73 C ATOM 988 CD1 ILE A 65 10.303 -11.847 13.985 1.00 16.77 C ATOM 989 HA ILE A 65 10.073 -7.745 13.219 1.00 0.00 H ATOM 990 HB ILE A 65 11.837 -9.741 14.680 1.00 0.00 H ATOM 991 HG12 ILE A 65 9.149 -10.161 13.354 1.00 0.00 H ATOM 992 HG13 ILE A 65 10.693 -10.365 12.494 1.00 0.00 H ATOM 993 HD11 ILE A 65 11.352 -12.122 14.092 1.00 0.00 H ATOM 994 HD12 ILE A 65 9.807 -11.917 14.953 1.00 0.00 H ATOM 995 HD13 ILE A 65 9.820 -12.521 13.278 1.00 0.00 H ATOM 996 HG21 ILE A 65 10.579 -8.468 16.344 1.00 0.00 H ATOM 997 HG22 ILE A 65 9.065 -8.762 15.454 1.00 0.00 H ATOM 998 HG23 ILE A 65 9.936 -10.123 16.203 1.00 0.00 H ATOM 999 H ILE A 65 12.938 -8.639 12.789 1.00 0.00 H ATOM 1000 N LEU A 66 10.669 -6.005 14.936 1.00 15.44 N ATOM 1001 CA LEU A 66 10.991 -4.954 15.897 1.00 15.41 C ATOM 1002 C LEU A 66 11.641 -5.533 17.163 1.00 15.69 C ATOM 1003 O LEU A 66 11.142 -6.510 17.730 1.00 14.88 O ATOM 1004 CB LEU A 66 9.726 -4.174 16.272 1.00 15.42 C ATOM 1005 CG LEU A 66 9.015 -3.409 15.157 1.00 15.48 C ATOM 1006 CD1 LEU A 66 7.678 -2.868 15.675 1.00 15.54 C ATOM 1007 CD2 LEU A 66 9.901 -2.268 14.653 1.00 16.89 C ATOM 1008 HA LEU A 66 11.706 -4.279 15.426 1.00 0.00 H ATOM 1009 HB2 LEU A 66 9.013 -4.887 16.686 1.00 0.00 H ATOM 1010 HB3 LEU A 66 10.003 -3.451 17.040 1.00 0.00 H ATOM 1011 HG LEU A 66 8.821 -4.084 14.323 1.00 0.00 H ATOM 1012 HD21 LEU A 66 10.115 -1.585 15.475 1.00 0.00 H ATOM 1013 HD22 LEU A 66 10.834 -2.678 14.267 1.00 0.00 H ATOM 1014 HD23 LEU A 66 9.383 -1.731 13.859 1.00 0.00 H ATOM 1015 HD11 LEU A 66 7.053 -3.699 16.000 1.00 0.00 H ATOM 1016 HD12 LEU A 66 7.860 -2.198 16.515 1.00 0.00 H ATOM 1017 HD13 LEU A 66 7.174 -2.323 14.877 1.00 0.00 H ATOM 1018 H LEU A 66 9.716 -6.028 14.521 1.00 0.00 H ATOM 1019 N GLY A 67 12.779 -4.953 17.549 1.00 16.18 N ATOM 1020 CA GLY A 67 13.495 -5.319 18.774 1.00 16.91 C ATOM 1021 C GLY A 67 14.319 -6.591 18.681 1.00 17.68 C ATOM 1022 O GLY A 67 14.771 -7.106 19.707 1.00 17.69 O ATOM 1023 HA3 GLY A 67 12.761 -5.449 19.569 1.00 0.00 H ATOM 1024 HA2 GLY A 67 14.166 -4.499 19.031 1.00 0.00 H ATOM 1025 H GLY A 67 13.178 -4.203 16.950 1.00 0.00 H ATOM 1026 N GLN A 68 14.495 -7.109 17.462 1.00 17.75 N ATOM 1027 CA GLN A 68 15.307 -8.297 17.223 1.00 17.98 C ATOM 1028 C GLN A 68 16.469 -7.985 16.280 1.00 18.19 C ATOM 1029 O GLN A 68 16.263 -7.669 15.096 1.00 17.95 O ATOM 1030 CB GLN A 68 14.466 -9.448 16.664 1.00 18.36 C ATOM 1031 CG GLN A 68 15.289 -10.697 16.361 1.00 19.52 C ATOM 1032 CD GLN A 68 14.538 -11.722 15.538 1.00 23.46 C ATOM 1033 OE1 GLN A 68 13.533 -12.290 15.989 1.00 23.84 O ATOM 1034 NE2 GLN A 68 15.029 -11.978 14.331 1.00 24.25 N ATOM 1035 HA GLN A 68 15.713 -8.611 18.185 1.00 0.00 H ATOM 1036 HB2 GLN A 68 13.700 -9.706 17.395 1.00 0.00 H ATOM 1037 HB3 GLN A 68 13.989 -9.114 15.742 1.00 0.00 H ATOM 1038 HG2 GLN A 68 16.182 -10.399 15.812 1.00 0.00 H ATOM 1039 HG3 GLN A 68 15.581 -11.157 17.305 1.00 0.00 H ATOM 1040 HE22 GLN A 68 15.876 -11.475 13.997 1.00 0.00 H ATOM 1041 HE21 GLN A 68 14.567 -12.682 13.720 1.00 0.00 H ATOM 1042 H GLN A 68 14.035 -6.647 16.652 1.00 0.00 H ATOM 1043 N GLU A 69 17.687 -8.088 16.809 1.00 18.35 N ATOM 1044 CA GLU A 69 18.899 -7.811 16.047 1.00 18.62 C ATOM 1045 C GLU A 69 19.070 -8.748 14.856 1.00 18.28 C ATOM 1046 O GLU A 69 18.767 -9.936 14.946 1.00 17.69 O ATOM 1047 CB GLU A 69 20.124 -7.893 16.954 1.00 19.24 C ATOM 1048 CG GLU A 69 21.408 -7.390 16.313 1.00 21.28 C ATOM 1049 CD GLU A 69 22.592 -7.510 17.250 1.00 24.33 C ATOM 1050 OE1 GLU A 69 23.036 -8.639 17.506 1.00 26.56 O ATOM 1051 OE2 GLU A 69 23.084 -6.476 17.717 1.00 27.34 O ATOM 1052 HA GLU A 69 18.801 -6.800 15.651 1.00 0.00 H ATOM 1053 HB2 GLU A 69 19.930 -7.297 17.846 1.00 0.00 H ATOM 1054 HB3 GLU A 69 20.269 -8.935 17.240 1.00 0.00 H ATOM 1055 HG2 GLU A 69 21.607 -7.976 15.416 1.00 0.00 H ATOM 1056 HG3 GLU A 69 21.279 -6.343 16.040 1.00 0.00 H ATOM 1057 H GLU A 69 17.777 -8.377 17.804 1.00 0.00 H ATOM 1058 N PHE A 70 19.570 -8.205 13.746 1.00 17.35 N ATOM 1059 CA PHE A 70 19.787 -8.988 12.537 1.00 17.33 C ATOM 1060 C PHE A 70 21.010 -8.472 11.787 1.00 17.60 C ATOM 1061 O PHE A 70 21.398 -7.310 11.961 1.00 18.08 O ATOM 1062 CB PHE A 70 18.519 -9.001 11.645 1.00 16.80 C ATOM 1063 CG PHE A 70 18.126 -7.640 11.085 1.00 16.10 C ATOM 1064 CD1 PHE A 70 17.471 -6.699 11.875 1.00 16.32 C ATOM 1065 CD2 PHE A 70 18.403 -7.314 9.761 1.00 14.93 C ATOM 1066 CE1 PHE A 70 17.111 -5.436 11.351 1.00 16.07 C ATOM 1067 CE2 PHE A 70 18.044 -6.071 9.229 1.00 15.05 C ATOM 1068 CZ PHE A 70 17.394 -5.133 10.028 1.00 13.86 C ATOM 1069 HA PHE A 70 19.983 -10.022 12.820 1.00 0.00 H ATOM 1070 HB2 PHE A 70 18.699 -9.675 10.807 1.00 0.00 H ATOM 1071 HB3 PHE A 70 17.687 -9.377 12.241 1.00 0.00 H ATOM 1072 HD2 PHE A 70 18.909 -8.041 9.126 1.00 0.00 H ATOM 1073 HE2 PHE A 70 18.273 -5.836 8.189 1.00 0.00 H ATOM 1074 HZ PHE A 70 17.109 -4.165 9.615 1.00 0.00 H ATOM 1075 HE1 PHE A 70 16.613 -4.703 11.985 1.00 0.00 H ATOM 1076 HD1 PHE A 70 17.233 -6.939 12.911 1.00 0.00 H ATOM 1077 H PHE A 70 19.812 -7.194 13.743 1.00 0.00 H ATOM 1078 N ASP A 71 21.623 -9.338 10.980 1.00 17.34 N ATOM 1079 CA ASP A 71 22.768 -8.954 10.143 1.00 17.79 C ATOM 1080 C ASP A 71 22.271 -8.301 8.878 1.00 17.46 C ATOM 1081 O ASP A 71 21.377 -8.839 8.207 1.00 17.44 O ATOM 1082 CB ASP A 71 23.596 -10.177 9.741 1.00 17.94 C ATOM 1083 CG ASP A 71 24.076 -10.965 10.924 1.00 19.22 C ATOM 1084 OD1 ASP A 71 24.699 -10.363 11.803 1.00 18.02 O ATOM 1085 OD2 ASP A 71 23.875 -12.195 11.057 1.00 22.04 O ATOM 1086 HA ASP A 71 23.387 -8.270 10.723 1.00 0.00 H ATOM 1087 HB2 ASP A 71 22.981 -10.825 9.116 1.00 0.00 H ATOM 1088 HB3 ASP A 71 24.462 -9.840 9.171 1.00 0.00 H ATOM 1089 H ASP A 71 21.279 -10.319 10.942 1.00 0.00 H ATOM 1090 N GLU A 72 22.864 -7.154 8.551 1.00 16.70 N ATOM 1091 CA GLU A 72 22.509 -6.397 7.369 1.00 16.13 C ATOM 1092 C GLU A 72 23.749 -6.141 6.519 1.00 16.05 C ATOM 1093 O GLU A 72 24.818 -5.814 7.040 1.00 16.06 O ATOM 1094 CB GLU A 72 21.833 -5.069 7.775 1.00 16.48 C ATOM 1095 CG GLU A 72 21.733 -4.031 6.661 1.00 16.00 C ATOM 1096 CD GLU A 72 20.867 -2.825 7.002 1.00 15.87 C ATOM 1097 OE1 GLU A 72 20.612 -2.557 8.210 1.00 12.55 O ATOM 1098 OE2 GLU A 72 20.451 -2.127 6.041 1.00 14.30 O ATOM 1099 HA GLU A 72 21.801 -6.973 6.773 1.00 0.00 H ATOM 1100 HB2 GLU A 72 20.824 -5.294 8.120 1.00 0.00 H ATOM 1101 HB3 GLU A 72 22.406 -4.633 8.593 1.00 0.00 H ATOM 1102 HG2 GLU A 72 22.738 -3.676 6.434 1.00 0.00 H ATOM 1103 HG3 GLU A 72 21.312 -4.515 5.780 1.00 0.00 H ATOM 1104 H GLU A 72 23.614 -6.787 9.171 1.00 0.00 H ATOM 1105 N VAL A 73 23.603 -6.324 5.208 1.00 15.72 N ATOM 1106 CA VAL A 73 24.582 -5.838 4.237 1.00 15.14 C ATOM 1107 C VAL A 73 24.008 -4.536 3.688 1.00 14.88 C ATOM 1108 O VAL A 73 22.934 -4.534 3.079 1.00 13.94 O ATOM 1109 CB VAL A 73 24.831 -6.869 3.112 1.00 15.11 C ATOM 1110 CG1 VAL A 73 25.719 -6.291 2.009 1.00 16.12 C ATOM 1111 CG2 VAL A 73 25.472 -8.162 3.690 1.00 15.70 C ATOM 1112 HA VAL A 73 25.555 -5.678 4.702 1.00 0.00 H ATOM 1113 HB VAL A 73 23.865 -7.116 2.673 1.00 0.00 H ATOM 1114 HG11 VAL A 73 25.234 -5.416 1.575 1.00 0.00 H ATOM 1115 HG12 VAL A 73 26.681 -6.002 2.433 1.00 0.00 H ATOM 1116 HG13 VAL A 73 25.872 -7.044 1.236 1.00 0.00 H ATOM 1117 HG21 VAL A 73 26.423 -7.915 4.161 1.00 0.00 H ATOM 1118 HG22 VAL A 73 24.801 -8.599 4.430 1.00 0.00 H ATOM 1119 HG23 VAL A 73 25.639 -8.875 2.883 1.00 0.00 H ATOM 1120 H VAL A 73 22.763 -6.831 4.863 1.00 0.00 H ATOM 1121 N THR A 74 24.705 -3.427 3.931 1.00 14.40 N ATOM 1122 CA THR A 74 24.190 -2.112 3.544 1.00 14.49 C ATOM 1123 C THR A 74 24.440 -1.869 2.059 1.00 14.92 C ATOM 1124 O THR A 74 25.176 -2.616 1.436 1.00 15.23 O ATOM 1125 CB THR A 74 24.816 -0.976 4.397 1.00 13.70 C ATOM 1126 OG1 THR A 74 26.245 -0.961 4.238 1.00 12.41 O ATOM 1127 CG2 THR A 74 24.611 -1.208 5.900 1.00 13.50 C ATOM 1128 HA THR A 74 23.116 -2.104 3.731 1.00 0.00 H ATOM 1129 HB THR A 74 24.335 -0.058 4.061 1.00 0.00 H ATOM 1130 HG1 THR A 74 26.468 -0.811 3.285 1.00 0.00 H ATOM 1131 HG23 THR A 74 23.544 -1.235 6.120 1.00 0.00 H ATOM 1132 HG21 THR A 74 25.066 -2.156 6.185 1.00 0.00 H ATOM 1133 HG22 THR A 74 25.078 -0.397 6.459 1.00 0.00 H ATOM 1134 H THR A 74 25.629 -3.496 4.403 1.00 0.00 H ATOM 1135 N ALA A 75 23.829 -0.824 1.505 1.00 16.02 N ATOM 1136 CA ALA A 75 24.085 -0.417 0.119 1.00 16.77 C ATOM 1137 C ALA A 75 25.578 -0.238 -0.203 1.00 17.21 C ATOM 1138 O ALA A 75 25.992 -0.484 -1.329 1.00 17.64 O ATOM 1139 CB ALA A 75 23.331 0.850 -0.206 1.00 17.27 C ATOM 1140 HA ALA A 75 23.727 -1.234 -0.508 1.00 0.00 H ATOM 1141 HB1 ALA A 75 22.262 0.678 -0.078 1.00 0.00 H ATOM 1142 HB2 ALA A 75 23.655 1.646 0.464 1.00 0.00 H ATOM 1143 HB3 ALA A 75 23.533 1.137 -1.238 1.00 0.00 H ATOM 1144 H ALA A 75 23.149 -0.279 2.073 1.00 0.00 H ATOM 1145 N ASP A 76 26.363 0.201 0.783 1.00 17.49 N ATOM 1146 CA ASP A 76 27.807 0.417 0.626 1.00 17.94 C ATOM 1147 C ASP A 76 28.662 -0.764 1.104 1.00 18.72 C ATOM 1148 O ASP A 76 29.884 -0.629 1.286 1.00 19.07 O ATOM 1149 CB ASP A 76 28.250 1.715 1.319 1.00 17.81 C ATOM 1150 CG ASP A 76 27.971 1.723 2.822 1.00 18.25 C ATOM 1151 OD1 ASP A 76 26.814 1.453 3.245 1.00 16.50 O ATOM 1152 OD2 ASP A 76 28.849 2.030 3.660 1.00 17.36 O ATOM 1153 HA ASP A 76 27.977 0.506 -0.447 1.00 0.00 H ATOM 1154 HB2 ASP A 76 29.322 1.842 1.165 1.00 0.00 H ATOM 1155 HB3 ASP A 76 27.718 2.550 0.863 1.00 0.00 H ATOM 1156 H ASP A 76 25.931 0.400 1.708 1.00 0.00 H ATOM 1157 N ASP A 77 28.017 -1.915 1.300 1.00 19.34 N ATOM 1158 CA ASP A 77 28.709 -3.182 1.541 1.00 19.77 C ATOM 1159 C ASP A 77 29.282 -3.324 2.948 1.00 19.49 C ATOM 1160 O ASP A 77 30.215 -4.111 3.160 1.00 19.77 O ATOM 1161 CB ASP A 77 29.827 -3.399 0.511 1.00 20.16 C ATOM 1162 CG ASP A 77 29.294 -3.626 -0.882 1.00 23.27 C ATOM 1163 OD1 ASP A 77 28.376 -4.465 -1.041 1.00 28.57 O ATOM 1164 OD2 ASP A 77 29.720 -3.011 -1.885 1.00 26.41 O ATOM 1165 HA ASP A 77 27.942 -3.949 1.436 1.00 0.00 H ATOM 1166 HB2 ASP A 77 30.469 -2.518 0.501 1.00 0.00 H ATOM 1167 HB3 ASP A 77 30.412 -4.270 0.808 1.00 0.00 H ATOM 1168 H ASP A 77 26.977 -1.912 1.281 1.00 0.00 H ATOM 1169 N ARG A 78 28.745 -2.570 3.906 1.00 18.62 N ATOM 1170 CA ARG A 78 29.139 -2.770 5.300 1.00 17.97 C ATOM 1171 C ARG A 78 28.365 -3.976 5.834 1.00 18.20 C ATOM 1172 O ARG A 78 27.190 -4.165 5.510 1.00 18.51 O ATOM 1173 CB ARG A 78 28.813 -1.546 6.158 1.00 17.64 C ATOM 1174 CG ARG A 78 29.794 -0.403 6.121 1.00 17.14 C ATOM 1175 CD ARG A 78 29.261 0.855 6.809 1.00 16.91 C ATOM 1176 NE ARG A 78 28.101 1.395 6.089 1.00 14.26 N ATOM 1177 CZ ARG A 78 26.934 1.766 6.621 1.00 12.96 C ATOM 1178 NH1 ARG A 78 26.707 1.708 7.931 1.00 12.06 N ATOM 1179 NH2 ARG A 78 25.987 2.227 5.813 1.00 14.15 N ATOM 1180 HA ARG A 78 30.216 -2.931 5.347 1.00 0.00 H ATOM 1181 HB2 ARG A 78 27.847 -1.162 5.829 1.00 0.00 H ATOM 1182 HB3 ARG A 78 28.736 -1.880 7.193 1.00 0.00 H ATOM 1183 HG2 ARG A 78 30.711 -0.713 6.623 1.00 0.00 H ATOM 1184 HG3 ARG A 78 30.014 -0.165 5.080 1.00 0.00 H ATOM 1185 HD2 ARG A 78 30.048 1.609 6.834 1.00 0.00 H ATOM 1186 HD3 ARG A 78 28.965 0.606 7.828 1.00 0.00 H ATOM 1187 HE ARG A 78 28.198 1.499 5.059 1.00 0.00 H ATOM 1188 HH12 ARG A 78 25.786 2.005 8.313 1.00 0.00 H ATOM 1189 HH11 ARG A 78 27.450 1.366 8.573 1.00 0.00 H ATOM 1190 HH22 ARG A 78 25.069 2.522 6.203 1.00 0.00 H ATOM 1191 HH21 ARG A 78 26.163 2.293 4.790 1.00 0.00 H ATOM 1192 H ARG A 78 28.046 -1.839 3.663 1.00 0.00 H ATOM 1193 N LYS A 79 29.012 -4.780 6.658 1.00 17.95 N ATOM 1194 CA LYS A 79 28.311 -5.850 7.348 1.00 18.19 C ATOM 1195 C LYS A 79 28.068 -5.380 8.770 1.00 17.59 C ATOM 1196 O LYS A 79 29.000 -5.233 9.578 1.00 17.72 O ATOM 1197 CB LYS A 79 29.111 -7.151 7.294 1.00 18.88 C ATOM 1198 CG LYS A 79 29.260 -7.674 5.871 1.00 21.58 C ATOM 1199 CD LYS A 79 30.545 -8.452 5.718 1.00 25.71 C ATOM 1200 CE LYS A 79 30.502 -9.335 4.481 1.00 28.67 C ATOM 1201 NZ LYS A 79 31.632 -10.318 4.550 1.00 31.31 N ATOM 1202 HA LYS A 79 27.358 -6.069 6.867 1.00 0.00 H ATOM 1203 HB2 LYS A 79 30.103 -6.971 7.708 1.00 0.00 H ATOM 1204 HB3 LYS A 79 28.599 -7.904 7.894 1.00 0.00 H ATOM 1205 HG2 LYS A 79 28.418 -8.326 5.639 1.00 0.00 H ATOM 1206 HG3 LYS A 79 29.267 -6.832 5.179 1.00 0.00 H ATOM 1207 HD2 LYS A 79 31.377 -7.753 5.629 1.00 0.00 H ATOM 1208 HD3 LYS A 79 30.690 -9.078 6.598 1.00 0.00 H ATOM 1209 HE2 LYS A 79 30.605 -8.720 3.587 1.00 0.00 H ATOM 1210 HE3 LYS A 79 29.553 -9.869 4.445 1.00 0.00 H ATOM 1211 HZ1 LYS A 79 32.535 -9.804 4.586 1.00 0.00 H ATOM 1212 HZ2 LYS A 79 31.530 -10.902 5.404 1.00 0.00 H ATOM 1213 HZ3 LYS A 79 31.612 -10.927 3.708 1.00 0.00 H ATOM 1214 H LYS A 79 30.031 -4.646 6.814 1.00 0.00 H ATOM 1215 N VAL A 80 26.807 -5.102 9.061 1.00 16.14 N ATOM 1216 CA VAL A 80 26.471 -4.442 10.292 1.00 15.13 C ATOM 1217 C VAL A 80 25.470 -5.265 11.081 1.00 14.48 C ATOM 1218 O VAL A 80 24.765 -6.119 10.526 1.00 13.31 O ATOM 1219 CB VAL A 80 25.859 -3.029 10.024 1.00 15.54 C ATOM 1220 CG1 VAL A 80 26.808 -2.163 9.201 1.00 14.82 C ATOM 1221 CG2 VAL A 80 24.494 -3.148 9.334 1.00 14.47 C ATOM 1222 HA VAL A 80 27.392 -4.332 10.865 1.00 0.00 H ATOM 1223 HB VAL A 80 25.713 -2.541 10.988 1.00 0.00 H ATOM 1224 HG11 VAL A 80 27.746 -2.039 9.742 1.00 0.00 H ATOM 1225 HG12 VAL A 80 27.001 -2.646 8.243 1.00 0.00 H ATOM 1226 HG13 VAL A 80 26.353 -1.187 9.032 1.00 0.00 H ATOM 1227 HG21 VAL A 80 24.613 -3.666 8.382 1.00 0.00 H ATOM 1228 HG22 VAL A 80 23.813 -3.711 9.973 1.00 0.00 H ATOM 1229 HG23 VAL A 80 24.089 -2.151 9.158 1.00 0.00 H ATOM 1230 H VAL A 80 26.054 -5.363 8.393 1.00 0.00 H ATOM 1231 N LYS A 81 25.396 -4.969 12.373 1.00 13.79 N ATOM 1232 CA LYS A 81 24.376 -5.534 13.241 1.00 14.22 C ATOM 1233 C LYS A 81 23.290 -4.477 13.412 1.00 13.80 C ATOM 1234 O LYS A 81 23.547 -3.392 13.944 1.00 13.55 O ATOM 1235 CB LYS A 81 24.983 -5.903 14.598 1.00 14.75 C ATOM 1236 CG LYS A 81 26.035 -6.986 14.527 1.00 16.39 C ATOM 1237 CD LYS A 81 25.412 -8.349 14.244 1.00 17.69 C ATOM 1238 CE LYS A 81 26.459 -9.449 14.348 1.00 19.63 C ATOM 1239 NZ LYS A 81 25.821 -10.785 14.190 1.00 22.04 N ATOM 1240 HA LYS A 81 23.959 -6.443 12.808 1.00 0.00 H ATOM 1241 HB2 LYS A 81 25.439 -5.009 15.024 1.00 0.00 H ATOM 1242 HB3 LYS A 81 24.181 -6.247 15.251 1.00 0.00 H ATOM 1243 HG2 LYS A 81 26.739 -6.745 13.731 1.00 0.00 H ATOM 1244 HG3 LYS A 81 26.565 -7.029 15.478 1.00 0.00 H ATOM 1245 HD2 LYS A 81 24.620 -8.538 14.968 1.00 0.00 H ATOM 1246 HD3 LYS A 81 24.991 -8.349 13.239 1.00 0.00 H ATOM 1247 HE2 LYS A 81 26.943 -9.394 15.323 1.00 0.00 H ATOM 1248 HE3 LYS A 81 27.205 -9.311 13.565 1.00 0.00 H ATOM 1249 HZ1 LYS A 81 25.111 -10.919 14.938 1.00 0.00 H ATOM 1250 HZ2 LYS A 81 25.361 -10.840 13.259 1.00 0.00 H ATOM 1251 HZ3 LYS A 81 26.547 -11.526 14.263 1.00 0.00 H ATOM 1252 H LYS A 81 26.092 -4.310 12.778 1.00 0.00 H ATOM 1253 N SER A 82 22.086 -4.798 12.944 1.00 13.00 N ATOM 1254 CA SER A 82 20.984 -3.840 12.920 1.00 12.34 C ATOM 1255 C SER A 82 19.919 -4.181 13.945 1.00 12.15 C ATOM 1256 O SER A 82 19.586 -5.344 14.133 1.00 11.23 O ATOM 1257 CB SER A 82 20.347 -3.774 11.532 1.00 11.78 C ATOM 1258 OG SER A 82 21.239 -3.190 10.592 1.00 11.49 O ATOM 1259 HA SER A 82 21.407 -2.867 13.171 1.00 0.00 H ATOM 1260 HB2 SER A 82 19.439 -3.173 11.584 1.00 0.00 H ATOM 1261 HB3 SER A 82 20.095 -4.783 11.206 1.00 0.00 H ATOM 1262 HG SER A 82 20.805 -3.158 9.703 1.00 0.00 H ATOM 1263 H SER A 82 21.925 -5.761 12.584 1.00 0.00 H ATOM 1264 N THR A 83 19.396 -3.156 14.607 1.00 11.80 N ATOM 1265 CA THR A 83 18.222 -3.321 15.472 1.00 12.37 C ATOM 1266 C THR A 83 17.261 -2.171 15.213 1.00 12.70 C ATOM 1267 O THR A 83 17.659 -0.992 15.207 1.00 11.94 O ATOM 1268 CB THR A 83 18.634 -3.360 16.952 1.00 12.19 C ATOM 1269 OG1 THR A 83 19.635 -4.365 17.127 1.00 12.44 O ATOM 1270 CG2 THR A 83 17.484 -3.879 17.824 1.00 13.37 C ATOM 1271 HA THR A 83 17.732 -4.268 15.244 1.00 0.00 H ATOM 1272 HB THR A 83 18.949 -2.352 17.222 1.00 0.00 H ATOM 1273 HG1 THR A 83 19.906 -4.397 18.079 1.00 0.00 H ATOM 1274 HG23 THR A 83 16.647 -3.183 17.771 1.00 0.00 H ATOM 1275 HG21 THR A 83 17.169 -4.858 17.462 1.00 0.00 H ATOM 1276 HG22 THR A 83 17.822 -3.964 18.857 1.00 0.00 H ATOM 1277 H THR A 83 19.828 -2.215 14.510 1.00 0.00 H ATOM 1278 N ILE A 84 16.002 -2.521 14.983 1.00 13.08 N ATOM 1279 CA ILE A 84 14.966 -1.533 14.712 1.00 13.76 C ATOM 1280 C ILE A 84 13.821 -1.668 15.731 1.00 14.71 C ATOM 1281 O ILE A 84 13.352 -2.767 16.007 1.00 13.90 O ATOM 1282 CB ILE A 84 14.449 -1.697 13.255 1.00 13.53 C ATOM 1283 CG1 ILE A 84 15.636 -1.686 12.263 1.00 12.63 C ATOM 1284 CG2 ILE A 84 13.383 -0.643 12.938 1.00 14.35 C ATOM 1285 CD1 ILE A 84 15.265 -1.890 10.799 1.00 12.86 C ATOM 1286 HA ILE A 84 15.386 -0.532 14.814 1.00 0.00 H ATOM 1287 HB ILE A 84 13.960 -2.665 13.147 1.00 0.00 H ATOM 1288 HG12 ILE A 84 16.140 -0.724 12.352 1.00 0.00 H ATOM 1289 HG13 ILE A 84 16.323 -2.482 12.551 1.00 0.00 H ATOM 1290 HD11 ILE A 84 14.772 -2.855 10.681 1.00 0.00 H ATOM 1291 HD12 ILE A 84 14.590 -1.095 10.482 1.00 0.00 H ATOM 1292 HD13 ILE A 84 16.168 -1.865 10.190 1.00 0.00 H ATOM 1293 HG21 ILE A 84 12.545 -0.758 13.625 1.00 0.00 H ATOM 1294 HG22 ILE A 84 13.813 0.352 13.050 1.00 0.00 H ATOM 1295 HG23 ILE A 84 13.035 -0.776 11.914 1.00 0.00 H ATOM 1296 H ILE A 84 15.747 -3.529 14.997 1.00 0.00 H ATOM 1297 N THR A 85 13.401 -0.537 16.287 1.00 15.96 N ATOM 1298 CA THR A 85 12.278 -0.471 17.217 1.00 17.57 C ATOM 1299 C THR A 85 11.317 0.627 16.772 1.00 18.56 C ATOM 1300 O THR A 85 11.671 1.462 15.934 1.00 18.47 O ATOM 1301 CB THR A 85 12.772 -0.179 18.661 1.00 17.84 C ATOM 1302 OG1 THR A 85 13.614 0.977 18.652 1.00 18.54 O ATOM 1303 CG2 THR A 85 13.677 -1.290 19.174 1.00 17.84 C ATOM 1304 HA THR A 85 11.767 -1.434 17.217 1.00 0.00 H ATOM 1305 HB THR A 85 11.880 -0.066 19.278 1.00 0.00 H ATOM 1306 HG1 THR A 85 14.393 0.812 18.063 1.00 0.00 H ATOM 1307 HG23 THR A 85 13.116 -2.224 19.216 1.00 0.00 H ATOM 1308 HG21 THR A 85 14.526 -1.405 18.501 1.00 0.00 H ATOM 1309 HG22 THR A 85 14.035 -1.034 20.171 1.00 0.00 H ATOM 1310 H THR A 85 13.897 0.345 16.048 1.00 0.00 H ATOM 1311 N LEU A 86 10.109 0.619 17.329 1.00 20.27 N ATOM 1312 CA LEU A 86 9.112 1.666 17.070 1.00 22.30 C ATOM 1313 C LEU A 86 8.901 2.484 18.350 1.00 23.72 C ATOM 1314 O LEU A 86 8.480 1.939 19.375 1.00 24.54 O ATOM 1315 CB LEU A 86 7.794 1.043 16.575 1.00 22.29 C ATOM 1316 CG LEU A 86 6.742 1.946 15.917 1.00 22.54 C ATOM 1317 CD1 LEU A 86 7.265 2.572 14.638 1.00 21.66 C ATOM 1318 CD2 LEU A 86 5.459 1.174 15.663 1.00 23.44 C ATOM 1319 HA LEU A 86 9.471 2.331 16.285 1.00 0.00 H ATOM 1320 HB2 LEU A 86 8.057 0.276 15.846 1.00 0.00 H ATOM 1321 HB3 LEU A 86 7.319 0.575 17.437 1.00 0.00 H ATOM 1322 HG LEU A 86 6.521 2.759 16.608 1.00 0.00 H ATOM 1323 HD21 LEU A 86 5.667 0.333 15.001 1.00 0.00 H ATOM 1324 HD22 LEU A 86 5.066 0.804 16.610 1.00 0.00 H ATOM 1325 HD23 LEU A 86 4.727 1.833 15.196 1.00 0.00 H ATOM 1326 HD11 LEU A 86 8.145 3.175 14.863 1.00 0.00 H ATOM 1327 HD12 LEU A 86 7.533 1.785 13.933 1.00 0.00 H ATOM 1328 HD13 LEU A 86 6.492 3.204 14.202 1.00 0.00 H ATOM 1329 H LEU A 86 9.861 -0.159 17.973 1.00 0.00 H ATOM 1330 N ASP A 87 9.194 3.783 18.274 1.00 24.51 N ATOM 1331 CA ASP A 87 9.341 4.664 19.440 1.00 25.64 C ATOM 1332 C ASP A 87 8.519 5.930 19.187 1.00 25.11 C ATOM 1333 O ASP A 87 8.944 6.795 18.426 1.00 25.05 O ATOM 1334 CB ASP A 87 10.838 5.011 19.608 1.00 26.37 C ATOM 1335 CG ASP A 87 11.154 5.776 20.896 1.00 29.37 C ATOM 1336 OD1 ASP A 87 12.359 6.004 21.155 1.00 33.57 O ATOM 1337 OD2 ASP A 87 10.304 6.198 21.707 1.00 31.81 O ATOM 1338 HA ASP A 87 8.986 4.180 20.350 1.00 0.00 H ATOM 1339 HB2 ASP A 87 11.408 4.082 19.611 1.00 0.00 H ATOM 1340 HB3 ASP A 87 11.147 5.623 18.760 1.00 0.00 H ATOM 1341 H ASP A 87 9.327 4.198 17.330 1.00 0.00 H ATOM 1342 N GLY A 88 7.328 6.007 19.785 1.00 24.77 N ATOM 1343 CA GLY A 88 6.415 7.142 19.588 1.00 24.20 C ATOM 1344 C GLY A 88 6.044 7.376 18.127 1.00 23.81 C ATOM 1345 O GLY A 88 6.006 8.518 17.660 1.00 23.68 O ATOM 1346 HA3 GLY A 88 6.895 8.042 19.971 1.00 0.00 H ATOM 1347 HA2 GLY A 88 5.501 6.952 20.151 1.00 0.00 H ATOM 1348 H GLY A 88 7.035 5.233 20.415 1.00 0.00 H ATOM 1349 N GLY A 89 5.782 6.288 17.407 1.00 23.04 N ATOM 1350 CA GLY A 89 5.492 6.353 15.976 1.00 22.70 C ATOM 1351 C GLY A 89 6.716 6.481 15.072 1.00 22.27 C ATOM 1352 O GLY A 89 6.573 6.583 13.852 1.00 22.68 O ATOM 1353 HA3 GLY A 89 4.850 7.216 15.800 1.00 0.00 H ATOM 1354 HA2 GLY A 89 4.960 5.443 15.697 1.00 0.00 H ATOM 1355 H GLY A 89 5.784 5.361 17.878 1.00 0.00 H ATOM 1356 N VAL A 90 7.910 6.469 15.662 1.00 21.10 N ATOM 1357 CA VAL A 90 9.150 6.609 14.898 1.00 20.21 C ATOM 1358 C VAL A 90 9.878 5.272 14.809 1.00 19.51 C ATOM 1359 O VAL A 90 10.115 4.619 15.832 1.00 19.07 O ATOM 1360 CB VAL A 90 10.076 7.681 15.500 1.00 20.53 C ATOM 1361 CG1 VAL A 90 11.387 7.809 14.696 1.00 20.26 C ATOM 1362 CG2 VAL A 90 9.360 9.038 15.579 1.00 21.48 C ATOM 1363 HA VAL A 90 8.878 6.933 13.894 1.00 0.00 H ATOM 1364 HB VAL A 90 10.332 7.364 16.511 1.00 0.00 H ATOM 1365 HG11 VAL A 90 11.912 6.854 14.705 1.00 0.00 H ATOM 1366 HG12 VAL A 90 11.156 8.089 13.668 1.00 0.00 H ATOM 1367 HG13 VAL A 90 12.016 8.575 15.149 1.00 0.00 H ATOM 1368 HG21 VAL A 90 9.064 9.350 14.577 1.00 0.00 H ATOM 1369 HG22 VAL A 90 8.475 8.944 16.208 1.00 0.00 H ATOM 1370 HG23 VAL A 90 10.035 9.779 16.008 1.00 0.00 H ATOM 1371 H VAL A 90 7.962 6.357 16.695 1.00 0.00 H ATOM 1372 N LEU A 91 10.191 4.862 13.578 1.00 18.51 N ATOM 1373 CA LEU A 91 11.013 3.675 13.321 1.00 17.99 C ATOM 1374 C LEU A 91 12.487 4.036 13.492 1.00 17.20 C ATOM 1375 O LEU A 91 13.055 4.788 12.685 1.00 17.09 O ATOM 1376 CB LEU A 91 10.780 3.125 11.904 1.00 17.86 C ATOM 1377 CG LEU A 91 9.699 2.077 11.611 1.00 18.84 C ATOM 1378 CD1 LEU A 91 9.764 1.667 10.141 1.00 18.53 C ATOM 1379 CD2 LEU A 91 9.836 0.846 12.499 1.00 17.62 C ATOM 1380 HA LEU A 91 10.728 2.901 14.034 1.00 0.00 H ATOM 1381 HB2 LEU A 91 10.551 3.985 11.275 1.00 0.00 H ATOM 1382 HB3 LEU A 91 11.726 2.686 11.586 1.00 0.00 H ATOM 1383 HG LEU A 91 8.732 2.531 11.829 1.00 0.00 H ATOM 1384 HD21 LEU A 91 10.810 0.385 12.332 1.00 0.00 H ATOM 1385 HD22 LEU A 91 9.747 1.142 13.544 1.00 0.00 H ATOM 1386 HD23 LEU A 91 9.049 0.133 12.254 1.00 0.00 H ATOM 1387 HD11 LEU A 91 9.599 2.543 9.513 1.00 0.00 H ATOM 1388 HD12 LEU A 91 10.745 1.244 9.926 1.00 0.00 H ATOM 1389 HD13 LEU A 91 8.994 0.923 9.938 1.00 0.00 H ATOM 1390 H LEU A 91 9.837 5.408 12.766 1.00 0.00 H ATOM 1391 N VAL A 92 13.093 3.516 14.555 1.00 16.65 N ATOM 1392 CA VAL A 92 14.471 3.861 14.911 1.00 16.11 C ATOM 1393 C VAL A 92 15.358 2.687 14.543 1.00 15.86 C ATOM 1394 O VAL A 92 15.196 1.590 15.075 1.00 16.27 O ATOM 1395 CB VAL A 92 14.597 4.199 16.416 1.00 16.12 C ATOM 1396 CG1 VAL A 92 16.063 4.494 16.789 1.00 16.36 C ATOM 1397 CG2 VAL A 92 13.663 5.394 16.801 1.00 16.66 C ATOM 1398 HA VAL A 92 14.780 4.751 14.363 1.00 0.00 H ATOM 1399 HB VAL A 92 14.275 3.329 16.988 1.00 0.00 H ATOM 1400 HG11 VAL A 92 16.675 3.618 16.572 1.00 0.00 H ATOM 1401 HG12 VAL A 92 16.421 5.343 16.206 1.00 0.00 H ATOM 1402 HG13 VAL A 92 16.126 4.729 17.852 1.00 0.00 H ATOM 1403 HG21 VAL A 92 13.941 6.273 16.220 1.00 0.00 H ATOM 1404 HG22 VAL A 92 12.628 5.128 16.587 1.00 0.00 H ATOM 1405 HG23 VAL A 92 13.771 5.610 17.864 1.00 0.00 H ATOM 1406 H VAL A 92 12.572 2.843 15.153 1.00 0.00 H ATOM 1407 N HIS A 93 16.302 2.925 13.638 1.00 15.96 N ATOM 1408 CA HIS A 93 17.151 1.865 13.101 1.00 15.34 C ATOM 1409 C HIS A 93 18.605 2.183 13.408 1.00 15.60 C ATOM 1410 O HIS A 93 19.126 3.211 12.976 1.00 16.20 O ATOM 1411 CB HIS A 93 16.895 1.741 11.597 1.00 15.12 C ATOM 1412 CG HIS A 93 17.759 0.735 10.886 1.00 14.18 C ATOM 1413 ND1 HIS A 93 17.745 0.606 9.513 1.00 11.86 N ATOM 1414 CD2 HIS A 93 18.657 -0.178 11.341 1.00 12.61 C ATOM 1415 CE1 HIS A 93 18.587 -0.345 9.151 1.00 11.92 C ATOM 1416 NE2 HIS A 93 19.156 -0.835 10.239 1.00 10.66 N ATOM 1417 HA HIS A 93 16.917 0.906 13.564 1.00 0.00 H ATOM 1418 HB2 HIS A 93 15.853 1.454 11.453 1.00 0.00 H ATOM 1419 HB3 HIS A 93 17.068 2.717 11.143 1.00 0.00 H ATOM 1420 HD2 HIS A 93 18.930 -0.356 12.381 1.00 0.00 H ATOM 1421 HE1 HIS A 93 18.780 -0.671 8.129 1.00 0.00 H ATOM 1422 H HIS A 93 16.441 3.899 13.301 1.00 0.00 H ATOM 1423 N VAL A 94 19.246 1.308 14.179 1.00 15.15 N ATOM 1424 CA VAL A 94 20.657 1.474 14.544 1.00 14.83 C ATOM 1425 C VAL A 94 21.488 0.377 13.908 1.00 14.43 C ATOM 1426 O VAL A 94 21.140 -0.811 13.992 1.00 13.63 O ATOM 1427 CB VAL A 94 20.872 1.485 16.093 1.00 14.89 C ATOM 1428 CG1 VAL A 94 22.319 1.818 16.451 1.00 13.79 C ATOM 1429 CG2 VAL A 94 19.987 2.512 16.704 1.00 16.75 C ATOM 1430 HA VAL A 94 20.980 2.444 14.167 1.00 0.00 H ATOM 1431 HB VAL A 94 20.635 0.491 16.473 1.00 0.00 H ATOM 1432 HG11 VAL A 94 22.981 1.071 16.014 1.00 0.00 H ATOM 1433 HG12 VAL A 94 22.572 2.803 16.059 1.00 0.00 H ATOM 1434 HG13 VAL A 94 22.433 1.817 17.535 1.00 0.00 H ATOM 1435 HG21 VAL A 94 20.232 3.492 16.294 1.00 0.00 H ATOM 1436 HG22 VAL A 94 18.947 2.273 16.481 1.00 0.00 H ATOM 1437 HG23 VAL A 94 20.135 2.521 17.784 1.00 0.00 H ATOM 1438 H VAL A 94 18.729 0.479 14.535 1.00 0.00 H ATOM 1439 N GLN A 95 22.573 0.793 13.261 1.00 13.81 N ATOM 1440 CA GLN A 95 23.526 -0.129 12.671 1.00 14.46 C ATOM 1441 C GLN A 95 24.816 -0.021 13.439 1.00 14.64 C ATOM 1442 O GLN A 95 25.312 1.080 13.662 1.00 14.23 O ATOM 1443 CB GLN A 95 23.760 0.196 11.186 1.00 14.49 C ATOM 1444 CG GLN A 95 22.510 0.046 10.303 1.00 13.99 C ATOM 1445 CD GLN A 95 22.706 0.629 8.913 1.00 13.72 C ATOM 1446 OE1 GLN A 95 23.504 1.535 8.736 1.00 12.31 O ATOM 1447 NE2 GLN A 95 21.982 0.106 7.932 1.00 12.11 N ATOM 1448 HA GLN A 95 23.136 -1.145 12.725 1.00 0.00 H ATOM 1449 HB2 GLN A 95 24.109 1.226 11.112 1.00 0.00 H ATOM 1450 HB3 GLN A 95 24.530 -0.476 10.806 1.00 0.00 H ATOM 1451 HG2 GLN A 95 22.274 -1.014 10.208 1.00 0.00 H ATOM 1452 HG3 GLN A 95 21.678 0.560 10.784 1.00 0.00 H ATOM 1453 HE22 GLN A 95 21.314 -0.666 8.133 1.00 0.00 H ATOM 1454 HE21 GLN A 95 22.082 0.468 6.962 1.00 0.00 H ATOM 1455 H GLN A 95 22.745 1.815 13.175 1.00 0.00 H ATOM 1456 N LYS A 96 25.348 -1.167 13.859 1.00 15.31 N ATOM 1457 CA LYS A 96 26.600 -1.206 14.611 1.00 16.18 C ATOM 1458 C LYS A 96 27.632 -2.070 13.893 1.00 16.01 C ATOM 1459 O LYS A 96 27.328 -3.182 13.463 1.00 15.98 O ATOM 1460 CB LYS A 96 26.362 -1.723 16.033 1.00 16.02 C ATOM 1461 CG LYS A 96 25.524 -0.788 16.890 1.00 18.37 C ATOM 1462 CD LYS A 96 25.279 -1.365 18.272 1.00 21.89 C ATOM 1463 CE LYS A 96 24.245 -0.540 19.011 1.00 23.68 C ATOM 1464 NZ LYS A 96 23.803 -1.244 20.234 1.00 25.84 N ATOM 1465 HA LYS A 96 26.989 -0.190 14.677 1.00 0.00 H ATOM 1466 HB2 LYS A 96 25.850 -2.683 15.969 1.00 0.00 H ATOM 1467 HB3 LYS A 96 27.329 -1.859 16.516 1.00 0.00 H ATOM 1468 HG2 LYS A 96 26.047 0.163 16.991 1.00 0.00 H ATOM 1469 HG3 LYS A 96 24.564 -0.623 16.400 1.00 0.00 H ATOM 1470 HD2 LYS A 96 24.920 -2.390 18.176 1.00 0.00 H ATOM 1471 HD3 LYS A 96 26.212 -1.360 18.835 1.00 0.00 H ATOM 1472 HE2 LYS A 96 23.386 -0.374 18.361 1.00 0.00 H ATOM 1473 HE3 LYS A 96 24.681 0.420 19.287 1.00 0.00 H ATOM 1474 HZ1 LYS A 96 23.384 -2.159 19.973 1.00 0.00 H ATOM 1475 HZ2 LYS A 96 24.621 -1.401 20.857 1.00 0.00 H ATOM 1476 HZ3 LYS A 96 23.095 -0.665 20.729 1.00 0.00 H ATOM 1477 H LYS A 96 24.859 -2.060 13.646 1.00 0.00 H ATOM 1478 N TRP A 97 28.847 -1.545 13.762 1.00 15.87 N ATOM 1479 CA TRP A 97 29.938 -2.255 13.088 1.00 16.07 C ATOM 1480 C TRP A 97 31.264 -1.614 13.469 1.00 16.83 C ATOM 1481 O TRP A 97 31.402 -0.384 13.440 1.00 16.12 O ATOM 1482 CB TRP A 97 29.745 -2.273 11.558 1.00 15.32 C ATOM 1483 CG TRP A 97 30.195 -1.012 10.849 1.00 15.62 C ATOM 1484 CD1 TRP A 97 31.277 -0.881 10.016 1.00 15.49 C ATOM 1485 CD2 TRP A 97 29.598 0.295 10.933 1.00 14.27 C ATOM 1486 NE1 TRP A 97 31.378 0.417 9.569 1.00 13.97 N ATOM 1487 CE2 TRP A 97 30.364 1.160 10.115 1.00 14.50 C ATOM 1488 CE3 TRP A 97 28.478 0.818 11.597 1.00 14.95 C ATOM 1489 CZ2 TRP A 97 30.060 2.517 9.959 1.00 13.22 C ATOM 1490 CZ3 TRP A 97 28.180 2.163 11.450 1.00 14.65 C ATOM 1491 CH2 TRP A 97 28.975 3.001 10.643 1.00 15.35 C ATOM 1492 HA TRP A 97 29.935 -3.295 13.416 1.00 0.00 H ATOM 1493 HB2 TRP A 97 30.312 -3.111 11.154 1.00 0.00 H ATOM 1494 HB3 TRP A 97 28.685 -2.420 11.351 1.00 0.00 H ATOM 1495 HE1 TRP A 97 32.107 0.776 8.921 1.00 0.00 H ATOM 1496 HD1 TRP A 97 31.958 -1.688 9.747 1.00 0.00 H ATOM 1497 HZ2 TRP A 97 30.662 3.163 9.320 1.00 0.00 H ATOM 1498 HH2 TRP A 97 28.722 4.058 10.561 1.00 0.00 H ATOM 1499 HZ3 TRP A 97 27.316 2.580 11.967 1.00 0.00 H ATOM 1500 HE3 TRP A 97 27.853 0.177 12.218 1.00 0.00 H ATOM 1501 H TRP A 97 29.029 -0.598 14.151 1.00 0.00 H ATOM 1502 N ASP A 98 32.233 -2.453 13.844 1.00 17.78 N ATOM 1503 CA ASP A 98 33.591 -1.990 14.180 1.00 18.30 C ATOM 1504 C ASP A 98 33.609 -0.940 15.280 1.00 18.40 C ATOM 1505 O ASP A 98 34.362 0.035 15.208 1.00 18.84 O ATOM 1506 CB ASP A 98 34.297 -1.449 12.928 1.00 18.33 C ATOM 1507 CG ASP A 98 34.685 -2.551 11.954 1.00 19.46 C ATOM 1508 OD1 ASP A 98 34.874 -3.705 12.397 1.00 21.53 O ATOM 1509 OD2 ASP A 98 34.831 -2.354 10.732 1.00 19.11 O ATOM 1510 HA ASP A 98 34.128 -2.859 14.561 1.00 0.00 H ATOM 1511 HB2 ASP A 98 33.627 -0.755 12.421 1.00 0.00 H ATOM 1512 HB3 ASP A 98 35.200 -0.921 13.236 1.00 0.00 H ATOM 1513 H ASP A 98 32.022 -3.470 13.901 1.00 0.00 H ATOM 1514 N GLY A 99 32.774 -1.133 16.291 1.00 18.53 N ATOM 1515 CA GLY A 99 32.729 -0.219 17.429 1.00 18.93 C ATOM 1516 C GLY A 99 32.132 1.127 17.050 1.00 18.83 C ATOM 1517 O GLY A 99 32.106 2.044 17.860 1.00 19.79 O ATOM 1518 HA3 GLY A 99 33.743 -0.064 17.798 1.00 0.00 H ATOM 1519 HA2 GLY A 99 32.122 -0.665 18.216 1.00 0.00 H ATOM 1520 H GLY A 99 32.136 -1.954 16.273 1.00 0.00 H ATOM 1521 N LYS A 100 31.674 1.245 15.806 1.00 17.78 N ATOM 1522 CA LYS A 100 30.984 2.439 15.338 1.00 17.39 C ATOM 1523 C LYS A 100 29.477 2.189 15.308 1.00 16.64 C ATOM 1524 O LYS A 100 29.014 1.039 15.294 1.00 15.72 O ATOM 1525 CB LYS A 100 31.473 2.823 13.941 1.00 17.28 C ATOM 1526 CG LYS A 100 32.954 3.130 13.858 1.00 17.55 C ATOM 1527 CD LYS A 100 33.350 3.615 12.467 1.00 19.16 C ATOM 1528 CE LYS A 100 33.588 2.470 11.496 1.00 20.65 C ATOM 1529 NZ LYS A 100 34.448 2.896 10.353 1.00 22.05 N ATOM 1530 HA LYS A 100 31.200 3.259 16.023 1.00 0.00 H ATOM 1531 HB2 LYS A 100 31.258 1.996 13.265 1.00 0.00 H ATOM 1532 HB3 LYS A 100 30.923 3.707 13.618 1.00 0.00 H ATOM 1533 HG2 LYS A 100 33.196 3.905 14.585 1.00 0.00 H ATOM 1534 HG3 LYS A 100 33.517 2.226 14.091 1.00 0.00 H ATOM 1535 HD2 LYS A 100 32.551 4.245 12.076 1.00 0.00 H ATOM 1536 HD3 LYS A 100 34.266 4.201 12.548 1.00 0.00 H ATOM 1537 HE2 LYS A 100 32.628 2.127 11.110 1.00 0.00 H ATOM 1538 HE3 LYS A 100 34.079 1.653 12.024 1.00 0.00 H ATOM 1539 HZ1 LYS A 100 33.983 3.673 9.841 1.00 0.00 H ATOM 1540 HZ2 LYS A 100 35.368 3.220 10.715 1.00 0.00 H ATOM 1541 HZ3 LYS A 100 34.591 2.092 9.710 1.00 0.00 H ATOM 1542 H LYS A 100 31.814 0.455 15.144 1.00 0.00 H ATOM 1543 N SER A 101 28.724 3.281 15.275 1.00 16.08 N ATOM 1544 CA SER A 101 27.280 3.236 15.265 1.00 15.93 C ATOM 1545 C SER A 101 26.709 4.362 14.391 1.00 15.28 C ATOM 1546 O SER A 101 27.230 5.481 14.388 1.00 14.47 O ATOM 1547 CB SER A 101 26.774 3.379 16.700 1.00 16.21 C ATOM 1548 OG SER A 101 25.451 3.854 16.719 1.00 19.42 O ATOM 1549 HA SER A 101 26.951 2.284 14.847 1.00 0.00 H ATOM 1550 HB2 SER A 101 27.413 4.080 17.236 1.00 0.00 H ATOM 1551 HB3 SER A 101 26.812 2.407 17.191 1.00 0.00 H ATOM 1552 HG SER A 101 25.413 4.739 16.277 1.00 0.00 H ATOM 1553 H SER A 101 29.193 4.209 15.255 1.00 0.00 H ATOM 1554 N THR A 102 25.640 4.050 13.661 1.00 14.11 N ATOM 1555 CA THR A 102 24.862 5.059 12.947 1.00 13.51 C ATOM 1556 C THR A 102 23.354 4.818 13.138 1.00 13.38 C ATOM 1557 O THR A 102 22.906 3.677 13.333 1.00 11.98 O ATOM 1558 CB THR A 102 25.274 5.133 11.445 1.00 13.19 C ATOM 1559 OG1 THR A 102 24.516 6.155 10.773 1.00 13.38 O ATOM 1560 CG2 THR A 102 24.932 3.830 10.699 1.00 13.48 C ATOM 1561 HA THR A 102 25.085 6.036 13.375 1.00 0.00 H ATOM 1562 HB THR A 102 26.346 5.327 11.432 1.00 0.00 H ATOM 1563 HG1 THR A 102 24.691 7.030 11.202 1.00 0.00 H ATOM 1564 HG23 THR A 102 25.473 3.000 11.153 1.00 0.00 H ATOM 1565 HG21 THR A 102 23.860 3.646 10.765 1.00 0.00 H ATOM 1566 HG22 THR A 102 25.222 3.925 9.653 1.00 0.00 H ATOM 1567 H THR A 102 25.349 3.054 13.597 1.00 0.00 H ATOM 1568 N THR A 103 22.577 5.897 13.110 1.00 13.58 N ATOM 1569 CA THR A 103 21.138 5.780 13.340 1.00 14.09 C ATOM 1570 C THR A 103 20.325 6.350 12.179 1.00 14.46 C ATOM 1571 O THR A 103 20.594 7.453 11.701 1.00 14.61 O ATOM 1572 CB THR A 103 20.760 6.402 14.720 1.00 14.77 C ATOM 1573 OG1 THR A 103 21.398 5.642 15.755 1.00 14.36 O ATOM 1574 CG2 THR A 103 19.287 6.193 15.059 1.00 14.51 C ATOM 1575 HA THR A 103 20.877 4.722 13.381 1.00 0.00 H ATOM 1576 HB THR A 103 21.035 7.455 14.661 1.00 0.00 H ATOM 1577 HG1 THR A 103 22.379 5.673 15.628 1.00 0.00 H ATOM 1578 HG23 THR A 103 18.670 6.727 14.337 1.00 0.00 H ATOM 1579 HG21 THR A 103 19.054 5.129 15.021 1.00 0.00 H ATOM 1580 HG22 THR A 103 19.088 6.574 16.061 1.00 0.00 H ATOM 1581 H THR A 103 22.996 6.830 12.923 1.00 0.00 H ATOM 1582 N ILE A 104 19.353 5.565 11.710 1.00 14.80 N ATOM 1583 CA ILE A 104 18.398 6.004 10.695 1.00 15.06 C ATOM 1584 C ILE A 104 16.997 6.043 11.313 1.00 15.52 C ATOM 1585 O ILE A 104 16.479 5.021 11.768 1.00 15.53 O ATOM 1586 CB ILE A 104 18.442 5.067 9.472 1.00 14.90 C ATOM 1587 CG1 ILE A 104 19.872 4.970 8.925 1.00 14.84 C ATOM 1588 CG2 ILE A 104 17.449 5.511 8.392 1.00 13.64 C ATOM 1589 CD1 ILE A 104 20.045 3.978 7.772 1.00 16.25 C ATOM 1590 HA ILE A 104 18.661 7.004 10.350 1.00 0.00 H ATOM 1591 HB ILE A 104 18.137 4.071 9.792 1.00 0.00 H ATOM 1592 HG12 ILE A 104 20.170 5.958 8.572 1.00 0.00 H ATOM 1593 HG13 ILE A 104 20.528 4.663 9.740 1.00 0.00 H ATOM 1594 HD11 ILE A 104 19.765 2.980 8.108 1.00 0.00 H ATOM 1595 HD12 ILE A 104 19.406 4.275 6.940 1.00 0.00 H ATOM 1596 HD13 ILE A 104 21.086 3.976 7.449 1.00 0.00 H ATOM 1597 HG21 ILE A 104 16.439 5.499 8.802 1.00 0.00 H ATOM 1598 HG22 ILE A 104 17.698 6.520 8.065 1.00 0.00 H ATOM 1599 HG23 ILE A 104 17.507 4.828 7.544 1.00 0.00 H ATOM 1600 H ILE A 104 19.272 4.598 12.084 1.00 0.00 H ATOM 1601 N LYS A 105 16.405 7.232 11.370 1.00 16.18 N ATOM 1602 CA LYS A 105 15.035 7.384 11.864 1.00 17.04 C ATOM 1603 C LYS A 105 14.101 7.637 10.706 1.00 17.47 C ATOM 1604 O LYS A 105 14.337 8.525 9.884 1.00 17.35 O ATOM 1605 CB LYS A 105 14.911 8.533 12.860 1.00 17.15 C ATOM 1606 CG LYS A 105 15.695 8.336 14.145 1.00 19.46 C ATOM 1607 CD LYS A 105 15.337 9.428 15.136 1.00 23.88 C ATOM 1608 CE LYS A 105 16.450 9.658 16.138 1.00 27.31 C ATOM 1609 NZ LYS A 105 16.235 8.951 17.417 1.00 30.58 N ATOM 1610 HA LYS A 105 14.768 6.459 12.376 1.00 0.00 H ATOM 1611 HB2 LYS A 105 15.269 9.443 12.378 1.00 0.00 H ATOM 1612 HB3 LYS A 105 13.858 8.650 13.117 1.00 0.00 H ATOM 1613 HG2 LYS A 105 15.451 7.364 14.573 1.00 0.00 H ATOM 1614 HG3 LYS A 105 16.762 8.379 13.929 1.00 0.00 H ATOM 1615 HD2 LYS A 105 15.154 10.354 14.591 1.00 0.00 H ATOM 1616 HD3 LYS A 105 14.433 9.138 15.671 1.00 0.00 H ATOM 1617 HE2 LYS A 105 16.520 10.727 16.340 1.00 0.00 H ATOM 1618 HE3 LYS A 105 17.387 9.310 15.702 1.00 0.00 H ATOM 1619 HZ1 LYS A 105 15.349 9.281 17.849 1.00 0.00 H ATOM 1620 HZ2 LYS A 105 16.176 7.928 17.240 1.00 0.00 H ATOM 1621 HZ3 LYS A 105 17.029 9.148 18.059 1.00 0.00 H ATOM 1622 H LYS A 105 16.928 8.075 11.056 1.00 0.00 H ATOM 1623 N ARG A 106 13.038 6.847 10.637 1.00 17.99 N ATOM 1624 CA ARG A 106 12.027 7.042 9.618 1.00 19.05 C ATOM 1625 C ARG A 106 10.732 7.430 10.321 1.00 19.85 C ATOM 1626 O ARG A 106 10.290 6.745 11.258 1.00 19.06 O ATOM 1627 CB ARG A 106 11.876 5.781 8.761 1.00 19.22 C ATOM 1628 CG ARG A 106 13.184 5.305 8.060 1.00 18.37 C ATOM 1629 CD ARG A 106 13.042 3.964 7.335 1.00 20.22 C ATOM 1630 NE ARG A 106 14.242 3.530 6.602 1.00 21.62 N ATOM 1631 CZ ARG A 106 15.233 2.817 7.126 1.00 23.37 C ATOM 1632 NH1 ARG A 106 15.200 2.459 8.398 1.00 23.21 N ATOM 1633 NH2 ARG A 106 16.276 2.455 6.379 1.00 24.13 N ATOM 1634 HA ARG A 106 12.311 7.839 8.931 1.00 0.00 H ATOM 1635 HB2 ARG A 106 11.523 4.975 9.404 1.00 0.00 H ATOM 1636 HB3 ARG A 106 11.132 5.982 7.990 1.00 0.00 H ATOM 1637 HG2 ARG A 106 13.479 6.061 7.332 1.00 0.00 H ATOM 1638 HG3 ARG A 106 13.963 5.207 8.816 1.00 0.00 H ATOM 1639 HD2 ARG A 106 12.221 4.048 6.623 1.00 0.00 H ATOM 1640 HD3 ARG A 106 12.802 3.201 8.076 1.00 0.00 H ATOM 1641 HE ARG A 106 14.320 3.801 5.601 1.00 0.00 H ATOM 1642 HH12 ARG A 106 15.979 1.901 8.802 1.00 0.00 H ATOM 1643 HH11 ARG A 106 14.395 2.735 8.995 1.00 0.00 H ATOM 1644 HH22 ARG A 106 17.047 1.897 6.798 1.00 0.00 H ATOM 1645 HH21 ARG A 106 16.319 2.731 5.377 1.00 0.00 H ATOM 1646 H ARG A 106 12.928 6.075 11.325 1.00 0.00 H ATOM 1647 N LYS A 107 10.159 8.558 9.907 1.00 20.96 N ATOM 1648 CA LYS A 107 8.932 9.061 10.521 1.00 22.66 C ATOM 1649 C LYS A 107 7.925 9.577 9.500 1.00 23.02 C ATOM 1650 O LYS A 107 8.292 9.991 8.396 1.00 23.28 O ATOM 1651 CB LYS A 107 9.245 10.121 11.588 1.00 22.35 C ATOM 1652 CG LYS A 107 9.665 11.489 11.060 1.00 24.09 C ATOM 1653 CD LYS A 107 10.388 12.306 12.123 1.00 25.15 C ATOM 1654 CE LYS A 107 11.879 11.936 12.206 1.00 30.46 C ATOM 1655 NZ LYS A 107 12.542 12.482 13.444 1.00 32.77 N ATOM 1656 HA LYS A 107 8.457 8.212 11.012 1.00 0.00 H ATOM 1657 HB2 LYS A 107 8.351 10.257 12.197 1.00 0.00 H ATOM 1658 HB3 LYS A 107 10.054 9.740 12.212 1.00 0.00 H ATOM 1659 HG2 LYS A 107 10.330 11.350 10.208 1.00 0.00 H ATOM 1660 HG3 LYS A 107 8.776 12.033 10.740 1.00 0.00 H ATOM 1661 HD2 LYS A 107 10.299 13.364 11.877 1.00 0.00 H ATOM 1662 HD3 LYS A 107 9.923 12.119 13.091 1.00 0.00 H ATOM 1663 HE2 LYS A 107 12.388 12.338 11.330 1.00 0.00 H ATOM 1664 HE3 LYS A 107 11.970 10.850 12.211 1.00 0.00 H ATOM 1665 HZ1 LYS A 107 12.469 13.519 13.446 1.00 0.00 H ATOM 1666 HZ2 LYS A 107 12.069 12.098 14.287 1.00 0.00 H ATOM 1667 HZ3 LYS A 107 13.544 12.204 13.450 1.00 0.00 H ATOM 1668 H LYS A 107 10.594 9.093 9.129 1.00 0.00 H ATOM 1669 N ARG A 108 6.654 9.511 9.871 1.00 23.78 N ATOM 1670 CA ARG A 108 5.571 10.033 9.053 1.00 25.08 C ATOM 1671 C ARG A 108 5.303 11.461 9.472 1.00 25.42 C ATOM 1672 O ARG A 108 5.138 11.744 10.661 1.00 25.60 O ATOM 1673 CB ARG A 108 4.297 9.193 9.232 1.00 25.11 C ATOM 1674 CG ARG A 108 4.330 7.788 8.631 1.00 26.60 C ATOM 1675 CD ARG A 108 4.593 7.708 7.113 1.00 28.02 C ATOM 1676 NE ARG A 108 4.306 8.969 6.433 1.00 31.60 N ATOM 1677 CZ ARG A 108 3.103 9.381 6.046 1.00 28.63 C ATOM 1678 NH1 ARG A 108 2.024 8.643 6.252 1.00 28.20 N ATOM 1679 NH2 ARG A 108 2.992 10.552 5.454 1.00 29.41 N ATOM 1680 HA ARG A 108 5.858 9.991 8.002 1.00 0.00 H ATOM 1681 HB2 ARG A 108 4.110 9.094 10.301 1.00 0.00 H ATOM 1682 HB3 ARG A 108 3.472 9.735 8.769 1.00 0.00 H ATOM 1683 HG2 ARG A 108 5.117 7.227 9.136 1.00 0.00 H ATOM 1684 HG3 ARG A 108 3.367 7.318 8.828 1.00 0.00 H ATOM 1685 HD2 ARG A 108 3.961 6.928 6.688 1.00 0.00 H ATOM 1686 HD3 ARG A 108 5.640 7.453 6.951 1.00 0.00 H ATOM 1687 HE ARG A 108 5.111 9.597 6.235 1.00 0.00 H ATOM 1688 HH12 ARG A 108 1.093 8.985 5.941 1.00 0.00 H ATOM 1689 HH11 ARG A 108 2.107 7.721 6.725 1.00 0.00 H ATOM 1690 HH22 ARG A 108 2.059 10.892 5.144 1.00 0.00 H ATOM 1691 HH21 ARG A 108 3.837 11.137 5.296 1.00 0.00 H ATOM 1692 H ARG A 108 6.422 9.068 10.783 1.00 0.00 H ATOM 1693 N GLU A 109 5.282 12.362 8.497 1.00 26.16 N ATOM 1694 CA GLU A 109 5.043 13.778 8.743 1.00 27.07 C ATOM 1695 C GLU A 109 4.182 14.304 7.608 1.00 27.42 C ATOM 1696 O GLU A 109 4.655 14.435 6.483 1.00 27.10 O ATOM 1697 CB GLU A 109 6.362 14.559 8.814 1.00 26.98 C ATOM 1698 CG GLU A 109 6.194 16.063 9.045 1.00 27.75 C ATOM 1699 CD GLU A 109 7.502 16.849 8.957 1.00 28.58 C ATOM 1700 OE1 GLU A 109 8.536 16.373 9.472 1.00 30.12 O ATOM 1701 OE2 GLU A 109 7.494 17.964 8.382 1.00 31.14 O ATOM 1702 HA GLU A 109 4.540 13.906 9.701 1.00 0.00 H ATOM 1703 HB2 GLU A 109 6.956 14.152 9.632 1.00 0.00 H ATOM 1704 HB3 GLU A 109 6.895 14.415 7.874 1.00 0.00 H ATOM 1705 HG2 GLU A 109 5.507 16.452 8.293 1.00 0.00 H ATOM 1706 HG3 GLU A 109 5.768 16.213 10.037 1.00 0.00 H ATOM 1707 H GLU A 109 5.442 12.045 7.520 1.00 0.00 H ATOM 1708 N ASP A 110 2.923 14.615 7.918 1.00 28.04 N ATOM 1709 CA ASP A 110 1.947 14.991 6.910 1.00 28.71 C ATOM 1710 C ASP A 110 1.805 13.820 5.945 1.00 28.41 C ATOM 1711 O ASP A 110 1.488 12.703 6.369 1.00 28.45 O ATOM 1712 CB ASP A 110 2.352 16.292 6.199 1.00 29.16 C ATOM 1713 CG ASP A 110 2.480 17.468 7.158 1.00 30.95 C ATOM 1714 OD1 ASP A 110 1.573 17.665 7.991 1.00 32.02 O ATOM 1715 OD2 ASP A 110 3.453 18.254 7.155 1.00 34.34 O ATOM 1716 HA ASP A 110 0.981 15.198 7.371 1.00 0.00 H ATOM 1717 HB2 ASP A 110 3.312 16.137 5.706 1.00 0.00 H ATOM 1718 HB3 ASP A 110 1.596 16.532 5.451 1.00 0.00 H ATOM 1719 H ASP A 110 2.630 14.587 8.915 1.00 0.00 H ATOM 1720 N ASP A 111 2.047 14.050 4.662 1.00 28.49 N ATOM 1721 CA ASP A 111 2.040 12.933 3.719 1.00 28.53 C ATOM 1722 C ASP A 111 3.466 12.600 3.249 1.00 27.96 C ATOM 1723 O ASP A 111 3.668 11.973 2.202 1.00 27.89 O ATOM 1724 CB ASP A 111 1.060 13.170 2.559 1.00 29.18 C ATOM 1725 CG ASP A 111 1.299 14.476 1.846 1.00 30.19 C ATOM 1726 OD1 ASP A 111 2.378 15.066 2.043 1.00 31.35 O ATOM 1727 OD2 ASP A 111 0.463 14.991 1.074 1.00 31.27 O ATOM 1728 HA ASP A 111 1.670 12.051 4.241 1.00 0.00 H ATOM 1729 HB2 ASP A 111 1.167 12.357 1.841 1.00 0.00 H ATOM 1730 HB3 ASP A 111 0.045 13.171 2.956 1.00 0.00 H ATOM 1731 H ASP A 111 2.240 15.016 4.329 1.00 0.00 H ATOM 1732 N LYS A 112 4.448 13.028 4.046 1.00 26.65 N ATOM 1733 CA LYS A 112 5.855 12.702 3.795 1.00 25.60 C ATOM 1734 C LYS A 112 6.326 11.532 4.653 1.00 24.26 C ATOM 1735 O LYS A 112 5.832 11.304 5.770 1.00 24.29 O ATOM 1736 CB LYS A 112 6.765 13.885 4.117 1.00 25.68 C ATOM 1737 CG LYS A 112 6.417 15.215 3.494 1.00 27.71 C ATOM 1738 CD LYS A 112 7.337 16.286 4.075 1.00 29.64 C ATOM 1739 CE LYS A 112 7.168 17.628 3.391 1.00 32.23 C ATOM 1740 NZ LYS A 112 8.293 18.525 3.773 1.00 33.10 N ATOM 1741 HA LYS A 112 5.917 12.444 2.738 1.00 0.00 H ATOM 1742 HB2 LYS A 112 6.759 14.018 5.199 1.00 0.00 H ATOM 1743 HB3 LYS A 112 7.771 13.623 3.790 1.00 0.00 H ATOM 1744 HG2 LYS A 112 6.553 15.161 2.414 1.00 0.00 H ATOM 1745 HG3 LYS A 112 5.379 15.463 3.716 1.00 0.00 H ATOM 1746 HD2 LYS A 112 7.113 16.403 5.135 1.00 0.00 H ATOM 1747 HD3 LYS A 112 8.371 15.961 3.957 1.00 0.00 H ATOM 1748 HE2 LYS A 112 6.224 18.077 3.700 1.00 0.00 H ATOM 1749 HE3 LYS A 112 7.166 17.487 2.310 1.00 0.00 H ATOM 1750 HZ1 LYS A 112 8.293 18.659 4.804 1.00 0.00 H ATOM 1751 HZ2 LYS A 112 9.193 18.096 3.477 1.00 0.00 H ATOM 1752 HZ3 LYS A 112 8.176 19.445 3.303 1.00 0.00 H ATOM 1753 H LYS A 112 4.207 13.612 4.872 1.00 0.00 H ATOM 1754 N LEU A 113 7.300 10.800 4.132 1.00 22.25 N ATOM 1755 CA LEU A 113 8.078 9.894 4.953 1.00 20.75 C ATOM 1756 C LEU A 113 9.474 10.514 5.093 1.00 19.29 C ATOM 1757 O LEU A 113 10.188 10.704 4.100 1.00 18.80 O ATOM 1758 CB LEU A 113 8.102 8.485 4.350 1.00 20.89 C ATOM 1759 CG LEU A 113 8.686 7.323 5.168 1.00 21.50 C ATOM 1760 CD1 LEU A 113 8.376 7.434 6.643 1.00 24.41 C ATOM 1761 CD2 LEU A 113 8.178 5.991 4.636 1.00 21.37 C ATOM 1762 HA LEU A 113 7.636 9.769 5.941 1.00 0.00 H ATOM 1763 HB2 LEU A 113 7.070 8.222 4.116 1.00 0.00 H ATOM 1764 HB3 LEU A 113 8.678 8.545 3.427 1.00 0.00 H ATOM 1765 HG LEU A 113 9.769 7.377 5.057 1.00 0.00 H ATOM 1766 HD21 LEU A 113 7.091 5.964 4.706 1.00 0.00 H ATOM 1767 HD22 LEU A 113 8.479 5.879 3.594 1.00 0.00 H ATOM 1768 HD23 LEU A 113 8.602 5.179 5.227 1.00 0.00 H ATOM 1769 HD11 LEU A 113 8.796 8.361 7.032 1.00 0.00 H ATOM 1770 HD12 LEU A 113 7.296 7.434 6.787 1.00 0.00 H ATOM 1771 HD13 LEU A 113 8.814 6.586 7.170 1.00 0.00 H ATOM 1772 H LEU A 113 7.510 10.877 3.116 1.00 0.00 H ATOM 1773 N VAL A 114 9.839 10.863 6.323 1.00 17.76 N ATOM 1774 CA VAL A 114 11.075 11.609 6.555 1.00 16.87 C ATOM 1775 C VAL A 114 12.126 10.690 7.146 1.00 16.15 C ATOM 1776 O VAL A 114 11.877 10.006 8.149 1.00 15.02 O ATOM 1777 CB VAL A 114 10.850 12.877 7.429 1.00 16.86 C ATOM 1778 CG1 VAL A 114 12.165 13.659 7.661 1.00 16.90 C ATOM 1779 CG2 VAL A 114 9.797 13.778 6.781 1.00 17.14 C ATOM 1780 HA VAL A 114 11.435 11.975 5.593 1.00 0.00 H ATOM 1781 HB VAL A 114 10.492 12.550 8.405 1.00 0.00 H ATOM 1782 HG11 VAL A 114 12.884 13.016 8.170 1.00 0.00 H ATOM 1783 HG12 VAL A 114 12.573 13.974 6.701 1.00 0.00 H ATOM 1784 HG13 VAL A 114 11.961 14.536 8.276 1.00 0.00 H ATOM 1785 HG21 VAL A 114 10.139 14.080 5.791 1.00 0.00 H ATOM 1786 HG22 VAL A 114 8.858 13.231 6.692 1.00 0.00 H ATOM 1787 HG23 VAL A 114 9.647 14.662 7.400 1.00 0.00 H ATOM 1788 H VAL A 114 9.238 10.602 7.130 1.00 0.00 H ATOM 1789 N VAL A 115 13.294 10.690 6.505 1.00 15.59 N ATOM 1790 CA VAL A 115 14.395 9.814 6.888 1.00 15.02 C ATOM 1791 C VAL A 115 15.587 10.637 7.366 1.00 15.34 C ATOM 1792 O VAL A 115 16.178 11.412 6.602 1.00 15.20 O ATOM 1793 CB VAL A 115 14.803 8.871 5.729 1.00 15.12 C ATOM 1794 CG1 VAL A 115 15.886 7.873 6.184 1.00 14.50 C ATOM 1795 CG2 VAL A 115 13.589 8.123 5.178 1.00 14.89 C ATOM 1796 HA VAL A 115 14.053 9.187 7.711 1.00 0.00 H ATOM 1797 HB VAL A 115 15.218 9.488 4.931 1.00 0.00 H ATOM 1798 HG11 VAL A 115 16.767 8.422 6.516 1.00 0.00 H ATOM 1799 HG12 VAL A 115 15.501 7.270 7.006 1.00 0.00 H ATOM 1800 HG13 VAL A 115 16.153 7.224 5.350 1.00 0.00 H ATOM 1801 HG21 VAL A 115 13.140 7.527 5.972 1.00 0.00 H ATOM 1802 HG22 VAL A 115 12.860 8.842 4.804 1.00 0.00 H ATOM 1803 HG23 VAL A 115 13.905 7.468 4.366 1.00 0.00 H ATOM 1804 H VAL A 115 13.425 11.338 5.702 1.00 0.00 H ATOM 1805 N GLU A 116 15.937 10.471 8.636 1.00 15.44 N ATOM 1806 CA GLU A 116 17.056 11.195 9.217 1.00 15.37 C ATOM 1807 C GLU A 116 18.202 10.233 9.457 1.00 15.34 C ATOM 1808 O GLU A 116 18.044 9.250 10.189 1.00 15.27 O ATOM 1809 CB GLU A 116 16.638 11.850 10.531 1.00 15.83 C ATOM 1810 CG GLU A 116 17.751 12.662 11.177 1.00 17.31 C ATOM 1811 CD GLU A 116 17.511 12.934 12.644 1.00 20.15 C ATOM 1812 OE1 GLU A 116 17.613 11.995 13.458 1.00 19.71 O ATOM 1813 OE2 GLU A 116 17.237 14.103 12.985 1.00 24.06 O ATOM 1814 HA GLU A 116 17.375 11.977 8.528 1.00 0.00 H ATOM 1815 HB2 GLU A 116 15.795 12.512 10.335 1.00 0.00 H ATOM 1816 HB3 GLU A 116 16.331 11.068 11.226 1.00 0.00 H ATOM 1817 HG2 GLU A 116 18.687 12.112 11.074 1.00 0.00 H ATOM 1818 HG3 GLU A 116 17.832 13.616 10.656 1.00 0.00 H ATOM 1819 H GLU A 116 15.398 9.808 9.229 1.00 0.00 H ATOM 1820 N CYS A 117 19.354 10.515 8.842 1.00 14.86 N ATOM 1821 CA CYS A 117 20.533 9.656 8.980 1.00 14.08 C ATOM 1822 C CYS A 117 21.624 10.384 9.751 1.00 13.81 C ATOM 1823 O CYS A 117 22.046 11.468 9.345 1.00 13.37 O ATOM 1824 CB CYS A 117 21.061 9.241 7.597 1.00 14.53 C ATOM 1825 SG CYS A 117 19.855 8.415 6.525 1.00 14.39 S ATOM 1826 HA CYS A 117 20.244 8.760 9.529 1.00 0.00 H ATOM 1827 HB2 CYS A 117 21.900 8.562 7.746 1.00 0.00 H ATOM 1828 HB3 CYS A 117 21.408 10.139 7.085 1.00 0.00 H ATOM 1829 HG CYS A 117 20.453 8.097 5.322 1.00 0.00 H ATOM 1830 H CYS A 117 19.416 11.367 8.249 1.00 0.00 H ATOM 1831 N VAL A 118 22.074 9.789 10.858 1.00 13.56 N ATOM 1832 CA VAL A 118 23.048 10.433 11.745 1.00 13.60 C ATOM 1833 C VAL A 118 24.337 9.609 11.847 1.00 13.60 C ATOM 1834 O VAL A 118 24.292 8.412 12.152 1.00 12.93 O ATOM 1835 CB VAL A 118 22.462 10.658 13.174 1.00 14.04 C ATOM 1836 CG1 VAL A 118 23.546 11.149 14.150 1.00 14.02 C ATOM 1837 CG2 VAL A 118 21.265 11.641 13.150 1.00 14.29 C ATOM 1838 HA VAL A 118 23.280 11.403 11.305 1.00 0.00 H ATOM 1839 HB VAL A 118 22.096 9.694 13.528 1.00 0.00 H ATOM 1840 HG11 VAL A 118 24.340 10.405 14.213 1.00 0.00 H ATOM 1841 HG12 VAL A 118 23.957 12.092 13.790 1.00 0.00 H ATOM 1842 HG13 VAL A 118 23.106 11.296 15.136 1.00 0.00 H ATOM 1843 HG21 VAL A 118 21.594 12.603 12.757 1.00 0.00 H ATOM 1844 HG22 VAL A 118 20.478 11.237 12.514 1.00 0.00 H ATOM 1845 HG23 VAL A 118 20.884 11.772 14.163 1.00 0.00 H ATOM 1846 H VAL A 118 21.723 8.840 11.099 1.00 0.00 H ATOM 1847 N MET A 119 25.474 10.255 11.588 1.00 13.81 N ATOM 1848 CA MET A 119 26.793 9.651 11.809 1.00 14.56 C ATOM 1849 C MET A 119 27.708 10.692 12.433 1.00 15.35 C ATOM 1850 O MET A 119 28.028 11.704 11.795 1.00 15.01 O ATOM 1851 CB MET A 119 27.407 9.136 10.502 1.00 15.07 C ATOM 1852 CG MET A 119 28.751 8.427 10.656 1.00 15.15 C ATOM 1853 SD MET A 119 28.680 7.012 11.771 1.00 17.42 S ATOM 1854 CE MET A 119 30.427 6.565 11.817 1.00 16.66 C ATOM 1855 HA MET A 119 26.677 8.796 12.475 1.00 0.00 H ATOM 1856 HB2 MET A 119 26.704 8.435 10.051 1.00 0.00 H ATOM 1857 HB3 MET A 119 27.548 9.987 9.836 1.00 0.00 H ATOM 1858 HG2 MET A 119 29.477 9.140 11.046 1.00 0.00 H ATOM 1859 HG3 MET A 119 29.075 8.080 9.675 1.00 0.00 H ATOM 1860 HE1 MET A 119 30.765 6.320 10.810 1.00 0.00 H ATOM 1861 HE2 MET A 119 31.006 7.405 12.202 1.00 0.00 H ATOM 1862 HE3 MET A 119 30.563 5.701 12.467 1.00 0.00 H ATOM 1863 H MET A 119 25.424 11.224 11.215 1.00 0.00 H ATOM 1864 N LYS A 120 28.128 10.429 13.674 1.00 15.49 N ATOM 1865 CA LYS A 120 28.930 11.376 14.453 1.00 16.79 C ATOM 1866 C LYS A 120 28.252 12.735 14.488 1.00 15.87 C ATOM 1867 O LYS A 120 27.132 12.854 15.010 1.00 16.64 O ATOM 1868 CB LYS A 120 30.362 11.454 13.901 1.00 16.37 C ATOM 1869 CG LYS A 120 31.153 10.162 14.090 1.00 18.91 C ATOM 1870 CD LYS A 120 32.510 10.191 13.366 1.00 19.91 C ATOM 1871 CE LYS A 120 33.463 11.217 14.008 1.00 25.31 C ATOM 1872 NZ LYS A 120 34.783 11.300 13.307 1.00 28.40 N ATOM 1873 HA LYS A 120 29.003 11.022 15.481 1.00 0.00 H ATOM 1874 HB2 LYS A 120 30.311 11.676 12.835 1.00 0.00 H ATOM 1875 HB3 LYS A 120 30.887 12.260 14.414 1.00 0.00 H ATOM 1876 HG2 LYS A 120 31.328 10.012 15.155 1.00 0.00 H ATOM 1877 HG3 LYS A 120 30.565 9.332 13.699 1.00 0.00 H ATOM 1878 HD2 LYS A 120 32.964 9.201 13.421 1.00 0.00 H ATOM 1879 HD3 LYS A 120 32.350 10.459 12.322 1.00 0.00 H ATOM 1880 HE2 LYS A 120 33.637 10.930 15.045 1.00 0.00 H ATOM 1881 HE3 LYS A 120 32.990 12.199 13.978 1.00 0.00 H ATOM 1882 HZ1 LYS A 120 35.249 10.371 13.337 1.00 0.00 H ATOM 1883 HZ2 LYS A 120 34.632 11.582 12.317 1.00 0.00 H ATOM 1884 HZ3 LYS A 120 35.382 12.005 13.782 1.00 0.00 H ATOM 1885 H LYS A 120 27.876 9.516 14.104 1.00 0.00 H ATOM 1886 N GLY A 121 28.900 13.755 13.930 1.00 15.01 N ATOM 1887 CA GLY A 121 28.371 15.112 13.993 1.00 14.59 C ATOM 1888 C GLY A 121 27.558 15.509 12.775 1.00 14.73 C ATOM 1889 O GLY A 121 27.099 16.664 12.679 1.00 14.61 O ATOM 1890 HA3 GLY A 121 29.208 15.804 14.088 1.00 0.00 H ATOM 1891 HA2 GLY A 121 27.733 15.192 14.873 1.00 0.00 H ATOM 1892 H GLY A 121 29.801 13.581 13.440 1.00 0.00 H ATOM 1893 N VAL A 122 27.356 14.541 11.875 1.00 14.14 N ATOM 1894 CA VAL A 122 26.679 14.746 10.593 1.00 15.04 C ATOM 1895 C VAL A 122 25.239 14.250 10.597 1.00 15.05 C ATOM 1896 O VAL A 122 24.957 13.096 10.948 1.00 15.19 O ATOM 1897 CB VAL A 122 27.456 14.084 9.410 1.00 15.36 C ATOM 1898 CG1 VAL A 122 26.752 14.344 8.089 1.00 15.55 C ATOM 1899 CG2 VAL A 122 28.902 14.599 9.345 1.00 16.32 C ATOM 1900 HA VAL A 122 26.662 15.826 10.446 1.00 0.00 H ATOM 1901 HB VAL A 122 27.478 13.009 9.589 1.00 0.00 H ATOM 1902 HG11 VAL A 122 25.746 13.926 8.127 1.00 0.00 H ATOM 1903 HG12 VAL A 122 26.695 15.418 7.915 1.00 0.00 H ATOM 1904 HG13 VAL A 122 27.312 13.873 7.281 1.00 0.00 H ATOM 1905 HG21 VAL A 122 28.895 15.679 9.199 1.00 0.00 H ATOM 1906 HG22 VAL A 122 29.414 14.360 10.277 1.00 0.00 H ATOM 1907 HG23 VAL A 122 29.419 14.122 8.513 1.00 0.00 H ATOM 1908 H VAL A 122 27.700 13.586 12.099 1.00 0.00 H ATOM 1909 N THR A 123 24.328 15.131 10.198 1.00 14.75 N ATOM 1910 CA THR A 123 22.923 14.779 10.090 1.00 14.91 C ATOM 1911 C THR A 123 22.450 15.005 8.665 1.00 14.58 C ATOM 1912 O THR A 123 22.548 16.116 8.127 1.00 14.85 O ATOM 1913 CB THR A 123 22.068 15.600 11.088 1.00 14.93 C ATOM 1914 OG1 THR A 123 22.506 15.345 12.426 1.00 14.92 O ATOM 1915 CG2 THR A 123 20.612 15.109 11.100 1.00 14.32 C ATOM 1916 HA THR A 123 22.804 13.725 10.342 1.00 0.00 H ATOM 1917 HB THR A 123 22.159 16.643 10.785 1.00 0.00 H ATOM 1918 HG1 THR A 123 23.457 15.606 12.516 1.00 0.00 H ATOM 1919 HG23 THR A 123 20.172 15.258 10.114 1.00 0.00 H ATOM 1920 HG21 THR A 123 20.589 14.049 11.353 1.00 0.00 H ATOM 1921 HG22 THR A 123 20.046 15.673 11.841 1.00 0.00 H ATOM 1922 H THR A 123 24.629 16.097 9.957 1.00 0.00 H ATOM 1923 N SER A 124 21.945 13.945 8.054 1.00 14.26 N ATOM 1924 CA SER A 124 21.360 14.055 6.722 1.00 14.13 C ATOM 1925 C SER A 124 19.850 13.825 6.782 1.00 14.34 C ATOM 1926 O SER A 124 19.396 12.878 7.423 1.00 14.29 O ATOM 1927 CB SER A 124 22.026 13.080 5.742 1.00 13.42 C ATOM 1928 OG SER A 124 21.254 13.001 4.553 1.00 13.00 O ATOM 1929 HA SER A 124 21.539 15.065 6.354 1.00 0.00 H ATOM 1930 HB2 SER A 124 22.091 12.093 6.199 1.00 0.00 H ATOM 1931 HB3 SER A 124 23.028 13.434 5.502 1.00 0.00 H ATOM 1932 HG SER A 124 21.196 13.898 4.138 1.00 0.00 H ATOM 1933 H SER A 124 21.966 13.021 8.530 1.00 0.00 H ATOM 1934 N THR A 125 19.084 14.690 6.114 1.00 14.13 N ATOM 1935 CA THR A 125 17.630 14.542 6.049 1.00 14.66 C ATOM 1936 C THR A 125 17.144 14.301 4.622 1.00 14.61 C ATOM 1937 O THR A 125 17.474 15.056 3.704 1.00 13.95 O ATOM 1938 CB THR A 125 16.908 15.785 6.628 1.00 14.96 C ATOM 1939 OG1 THR A 125 17.427 16.086 7.926 1.00 16.63 O ATOM 1940 CG2 THR A 125 15.416 15.484 6.885 1.00 15.06 C ATOM 1941 HA THR A 125 17.385 13.669 6.654 1.00 0.00 H ATOM 1942 HB THR A 125 17.049 16.592 5.909 1.00 0.00 H ATOM 1943 HG1 THR A 125 18.397 16.273 7.857 1.00 0.00 H ATOM 1944 HG23 THR A 125 14.928 15.240 5.941 1.00 0.00 H ATOM 1945 HG21 THR A 125 15.330 14.640 7.569 1.00 0.00 H ATOM 1946 HG22 THR A 125 14.941 16.360 7.326 1.00 0.00 H ATOM 1947 H THR A 125 19.533 15.491 5.626 1.00 0.00 H ATOM 1948 N ARG A 126 16.338 13.252 4.458 1.00 14.94 N ATOM 1949 CA ARG A 126 15.819 12.855 3.150 1.00 15.21 C ATOM 1950 C ARG A 126 14.313 12.706 3.234 1.00 15.30 C ATOM 1951 O ARG A 126 13.795 12.149 4.203 1.00 15.32 O ATOM 1952 CB ARG A 126 16.476 11.556 2.680 1.00 15.57 C ATOM 1953 CG ARG A 126 17.924 11.758 2.253 1.00 16.38 C ATOM 1954 CD ARG A 126 18.835 10.564 2.440 1.00 15.78 C ATOM 1955 NE ARG A 126 18.656 9.501 1.447 1.00 16.17 N ATOM 1956 CZ ARG A 126 19.075 9.536 0.183 1.00 15.96 C ATOM 1957 NH1 ARG A 126 19.661 10.619 -0.330 1.00 15.86 N ATOM 1958 NH2 ARG A 126 18.885 8.478 -0.589 1.00 16.77 N ATOM 1959 HA ARG A 126 16.057 13.626 2.417 1.00 0.00 H ATOM 1960 HB2 ARG A 126 16.449 10.835 3.497 1.00 0.00 H ATOM 1961 HB3 ARG A 126 15.912 11.165 1.833 1.00 0.00 H ATOM 1962 HG2 ARG A 126 17.928 12.021 1.195 1.00 0.00 H ATOM 1963 HG3 ARG A 126 18.332 12.586 2.833 1.00 0.00 H ATOM 1964 HD2 ARG A 126 18.646 10.143 3.428 1.00 0.00 H ATOM 1965 HD3 ARG A 126 19.867 10.911 2.385 1.00 0.00 H ATOM 1966 HE ARG A 126 18.157 8.643 1.757 1.00 0.00 H ATOM 1967 HH12 ARG A 126 19.978 10.619 -1.320 1.00 0.00 H ATOM 1968 HH11 ARG A 126 19.800 11.464 0.260 1.00 0.00 H ATOM 1969 HH22 ARG A 126 19.207 8.491 -1.578 1.00 0.00 H ATOM 1970 HH21 ARG A 126 18.414 7.633 -0.207 1.00 0.00 H ATOM 1971 H ARG A 126 16.068 12.694 5.293 1.00 0.00 H ATOM 1972 N VAL A 127 13.610 13.240 2.236 1.00 14.70 N ATOM 1973 CA VAL A 127 12.157 13.197 2.240 1.00 14.68 C ATOM 1974 C VAL A 127 11.633 12.370 1.075 1.00 14.60 C ATOM 1975 O VAL A 127 12.037 12.563 -0.080 1.00 13.96 O ATOM 1976 CB VAL A 127 11.539 14.624 2.223 1.00 14.89 C ATOM 1977 CG1 VAL A 127 10.016 14.577 2.111 1.00 14.53 C ATOM 1978 CG2 VAL A 127 11.969 15.407 3.452 1.00 14.71 C ATOM 1979 HA VAL A 127 11.850 12.716 3.169 1.00 0.00 H ATOM 1980 HB VAL A 127 11.914 15.137 1.338 1.00 0.00 H ATOM 1981 HG11 VAL A 127 9.736 14.070 1.188 1.00 0.00 H ATOM 1982 HG12 VAL A 127 9.607 14.035 2.963 1.00 0.00 H ATOM 1983 HG13 VAL A 127 9.622 15.593 2.102 1.00 0.00 H ATOM 1984 HG21 VAL A 127 11.633 14.886 4.349 1.00 0.00 H ATOM 1985 HG22 VAL A 127 13.056 15.492 3.465 1.00 0.00 H ATOM 1986 HG23 VAL A 127 11.526 16.402 3.421 1.00 0.00 H ATOM 1987 H VAL A 127 14.108 13.694 1.443 1.00 0.00 H ATOM 1988 N TYR A 128 10.733 11.443 1.402 1.00 14.67 N ATOM 1989 CA TYR A 128 10.027 10.662 0.411 1.00 14.90 C ATOM 1990 C TYR A 128 8.544 11.038 0.415 1.00 15.83 C ATOM 1991 O TYR A 128 7.977 11.384 1.467 1.00 15.49 O ATOM 1992 CB TYR A 128 10.151 9.168 0.720 1.00 15.43 C ATOM 1993 CG TYR A 128 11.548 8.550 0.596 1.00 14.67 C ATOM 1994 CD1 TYR A 128 12.534 8.787 1.551 1.00 14.52 C ATOM 1995 CD2 TYR A 128 11.847 7.672 -0.449 1.00 15.79 C ATOM 1996 CE1 TYR A 128 13.802 8.192 1.452 1.00 14.08 C ATOM 1997 CE2 TYR A 128 13.111 7.067 -0.559 1.00 15.04 C ATOM 1998 CZ TYR A 128 14.081 7.335 0.394 1.00 15.62 C ATOM 1999 OH TYR A 128 15.329 6.734 0.282 1.00 16.15 O ATOM 2000 HA TYR A 128 10.466 10.870 -0.565 1.00 0.00 H ATOM 2001 HB3 TYR A 128 9.492 8.634 0.036 1.00 0.00 H ATOM 2002 HB2 TYR A 128 9.812 9.014 1.744 1.00 0.00 H ATOM 2003 HD2 TYR A 128 11.084 7.451 -1.195 1.00 0.00 H ATOM 2004 HE2 TYR A 128 13.327 6.392 -1.387 1.00 0.00 H ATOM 2005 HE1 TYR A 128 14.565 8.401 2.202 1.00 0.00 H ATOM 2006 HD1 TYR A 128 12.317 9.447 2.391 1.00 0.00 H ATOM 2007 HH TYR A 128 15.224 5.750 0.308 1.00 0.00 H ATOM 2008 H TYR A 128 10.531 11.275 2.408 1.00 0.00 H ATOM 2009 N GLU A 129 7.910 10.933 -0.749 1.00 16.00 N ATOM 2010 CA GLU A 129 6.457 11.076 -0.852 1.00 17.72 C ATOM 2011 C GLU A 129 5.867 9.903 -1.644 1.00 17.73 C ATOM 2012 O GLU A 129 6.569 9.285 -2.452 1.00 17.49 O ATOM 2013 CB GLU A 129 6.115 12.417 -1.504 1.00 17.12 C ATOM 2014 CG GLU A 129 6.542 13.600 -0.642 1.00 18.90 C ATOM 2015 CD GLU A 129 6.159 14.950 -1.221 1.00 19.64 C ATOM 2016 OE1 GLU A 129 5.497 14.991 -2.271 1.00 23.16 O ATOM 2017 OE2 GLU A 129 6.523 15.973 -0.611 1.00 22.90 O ATOM 2018 HA GLU A 129 6.018 11.060 0.145 1.00 0.00 H ATOM 2019 HB2 GLU A 129 6.624 12.481 -2.466 1.00 0.00 H ATOM 2020 HB3 GLU A 129 5.038 12.467 -1.661 1.00 0.00 H ATOM 2021 HG2 GLU A 129 6.072 13.500 0.337 1.00 0.00 H ATOM 2022 HG3 GLU A 129 7.626 13.569 -0.528 1.00 0.00 H ATOM 2023 H GLU A 129 8.462 10.744 -1.610 1.00 0.00 H ATOM 2024 N ARG A 130 4.584 9.604 -1.428 1.00 18.29 N ATOM 2025 CA ARG A 130 3.966 8.436 -2.063 1.00 19.55 C ATOM 2026 C ARG A 130 4.103 8.490 -3.578 1.00 19.77 C ATOM 2027 O ARG A 130 3.991 9.555 -4.186 1.00 19.91 O ATOM 2028 CB ARG A 130 2.493 8.267 -1.665 1.00 19.72 C ATOM 2029 CG ARG A 130 2.278 7.952 -0.203 1.00 20.35 C ATOM 2030 CD ARG A 130 0.877 7.515 0.151 1.00 21.06 C ATOM 2031 NE ARG A 130 0.777 7.187 1.574 1.00 25.39 N ATOM 2032 CZ ARG A 130 0.911 5.963 2.076 1.00 27.41 C ATOM 2033 NH1 ARG A 130 1.131 4.921 1.277 1.00 28.87 N ATOM 2034 NH2 ARG A 130 0.800 5.771 3.382 1.00 30.05 N ATOM 2035 HA ARG A 130 4.507 7.564 -1.697 1.00 0.00 H ATOM 2036 HB2 ARG A 130 1.968 9.194 -1.896 1.00 0.00 H ATOM 2037 HB3 ARG A 130 2.070 7.454 -2.256 1.00 0.00 H ATOM 2038 HG2 ARG A 130 2.964 7.152 0.076 1.00 0.00 H ATOM 2039 HG3 ARG A 130 2.511 8.847 0.375 1.00 0.00 H ATOM 2040 HD2 ARG A 130 0.618 6.635 -0.438 1.00 0.00 H ATOM 2041 HD3 ARG A 130 0.182 8.322 -0.079 1.00 0.00 H ATOM 2042 HE ARG A 130 0.588 7.965 2.238 1.00 0.00 H ATOM 2043 HH12 ARG A 130 1.234 3.968 1.681 1.00 0.00 H ATOM 2044 HH11 ARG A 130 1.200 5.060 0.249 1.00 0.00 H ATOM 2045 HH22 ARG A 130 0.904 4.815 3.778 1.00 0.00 H ATOM 2046 HH21 ARG A 130 0.609 6.576 4.012 1.00 0.00 H ATOM 2047 H ARG A 130 4.015 10.208 -0.801 1.00 0.00 H ATOM 2048 N ALA A 131 4.374 7.338 -4.177 1.00 20.66 N ATOM 2049 CA ALA A 131 4.546 7.245 -5.620 1.00 21.72 C ATOM 2050 C ALA A 131 3.211 7.486 -6.318 1.00 22.47 C ATOM 2051 O ALA A 131 2.155 7.320 -5.707 1.00 23.37 O ATOM 2052 CB ALA A 131 5.104 5.895 -5.992 1.00 21.82 C ATOM 2053 HA ALA A 131 5.252 8.009 -5.945 1.00 0.00 H ATOM 2054 OXT ALA A 131 3.147 7.872 -7.493 1.00 23.52 O ATOM 2055 HB1 ALA A 131 6.070 5.757 -5.507 1.00 0.00 H ATOM 2056 HB2 ALA A 131 4.416 5.116 -5.663 1.00 0.00 H ATOM 2057 HB3 ALA A 131 5.227 5.840 -7.074 1.00 0.00 H ATOM 2058 H ALA A 131 4.466 6.478 -3.600 1.00 0.00 H TER 2059 ALA A 131 HETATM 2060 O HOH 1 -2.623 5.698 -0.560 1.00 32.63 O HETATM 2061 O HOH 2 -1.852 3.726 1.065 1.00 20.91 O HETATM 2062 O HOH 3 -1.896 4.488 3.737 1.00 16.50 O HETATM 2063 O HOH 4 0.801 9.145 9.193 1.00 37.50 O HETATM 2064 O HOH 5 0.489 3.737 4.998 1.00 21.51 O HETATM 2065 O HOH 6 1.063 -6.613 11.622 1.00 31.81 O HETATM 2066 O HOH 7 1.174 2.009 -1.921 1.00 35.63 O HETATM 2067 O HOH 8 0.881 11.780 8.565 1.00 38.09 O HETATM 2068 O HOH 9 -2.688 7.835 0.752 1.00 41.56 O HETATM 2069 O HOH 10 2.148 4.133 -1.353 1.00 18.75 O HETATM 2070 O HOH 11 2.260 5.268 -4.020 1.00 32.57 O HETATM 2071 O HOH 12 2.997 11.621 -0.157 1.00 21.08 O HETATM 2072 O HOH 13 3.007 13.963 -4.982 1.00 53.43 O HETATM 2073 O HOH 14 3.794 -1.783 0.290 1.00 16.89 O HETATM 2074 O HOH 15 3.262 -0.144 -1.979 1.00 21.88 O HETATM 2075 O HOH 16 3.167 17.324 3.050 1.00 29.47 O HETATM 2076 O HOH 17 4.056 -3.192 13.449 1.00 30.13 O HETATM 2077 O HOH 18 4.406 17.006 0.729 1.00 39.50 O HETATM 2078 O HOH 19 4.916 -12.879 8.772 1.00 34.97 O HETATM 2079 O HOH 20 5.102 -5.458 12.699 1.00 38.28 O HETATM 2080 O HOH 21 4.746 -4.237 -1.471 1.00 17.88 O HETATM 2081 O HOH 22 5.510 -0.666 -5.334 1.00 28.76 O HETATM 2082 O HOH 23 5.909 13.910 -4.775 1.00 41.40 O HETATM 2083 O HOH 24 5.445 1.717 19.898 1.00 46.99 O HETATM 2084 O HOH 25 6.063 8.761 12.419 1.00 34.03 O HETATM 2085 O HOH 26 6.523 19.478 6.124 1.00 57.70 O HETATM 2086 O HOH 27 6.759 -9.316 1.506 1.00 30.70 O HETATM 2087 O HOH 28 6.735 3.697 -8.301 1.00 27.16 O HETATM 2088 O HOH 29 6.888 -8.075 -1.214 1.00 23.66 O HETATM 2089 O HOH 30 7.072 -5.475 -1.248 1.00 18.87 O HETATM 2090 O HOH 31 7.003 -1.139 -9.575 1.00 59.18 O HETATM 2091 O HOH 32 7.088 21.490 4.059 1.00 43.22 O HETATM 2092 O HOH 33 7.313 -8.405 5.657 1.00 19.48 O HETATM 2093 O HOH 34 7.834 -6.505 14.412 1.00 15.03 O HETATM 2094 O HOH 35 8.008 -5.591 19.626 1.00 46.92 O HETATM 2095 O HOH 36 7.957 -4.878 -4.336 1.00 36.92 O HETATM 2096 O HOH 37 6.547 8.905 -9.118 1.00 85.86 O HETATM 2097 O HOH 38 7.529 11.317 -6.723 1.00 37.11 O HETATM 2098 O HOH 39 8.474 -7.463 18.090 1.00 17.94 O HETATM 2099 O HOH 40 8.279 -4.316 0.975 1.00 17.34 O HETATM 2100 O HOH 41 8.251 6.864 23.061 1.00 37.46 O HETATM 2101 O HOH 42 8.392 17.524 0.063 1.00 23.13 O HETATM 2102 O HOH 43 9.150 -9.976 2.546 1.00 15.98 O HETATM 2103 O HOH 44 9.634 -1.479 19.065 1.00 22.37 O HETATM 2104 O HOH 45 9.734 1.954 21.334 1.00 39.08 O HETATM 2105 O HOH 46 9.682 -0.572 21.630 1.00 37.52 O HETATM 2106 O HOH 47 10.908 -10.404 0.199 1.00 9.35 O HETATM 2107 O HOH 48 10.651 -4.199 20.392 1.00 52.90 O HETATM 2108 O HOH 49 11.008 17.966 0.876 1.00 22.83 O HETATM 2109 O HOH 50 11.577 17.571 9.390 1.00 42.89 O HETATM 2110 O HOH 51 11.639 19.824 3.639 1.00 56.61 O HETATM 2111 O HOH 52 12.578 -14.573 14.151 1.00 24.21 O HETATM 2112 O HOH 53 12.706 -12.708 2.190 1.00 21.43 O HETATM 2113 O HOH 54 12.840 8.330 -8.453 1.00 36.78 O HETATM 2114 O HOH 55 12.436 16.074 -6.348 1.00 19.30 O HETATM 2115 O HOH 56 13.123 -7.131 22.217 1.00 29.21 O HETATM 2116 O HOH 57 13.524 11.138 17.542 1.00 52.58 O HETATM 2117 O HOH 58 13.860 -9.946 3.089 1.00 26.25 O HETATM 2118 O HOH 59 13.919 -6.251 -2.925 1.00 32.42 O HETATM 2119 O HOH 60 14.135 20.605 3.694 1.00 23.17 O HETATM 2120 O HOH 61 14.187 -13.417 11.729 1.00 42.19 O HETATM 2121 O HOH 62 14.032 -11.430 0.159 1.00 14.17 O HETATM 2122 O HOH 63 14.582 -5.443 -6.360 1.00 43.45 O HETATM 2123 O HOH 64 14.415 3.526 10.581 1.00 16.23 O HETATM 2124 O HOH 65 14.574 18.395 -4.029 1.00 18.67 O HETATM 2125 O HOH 66 14.885 19.642 5.973 1.00 37.95 O HETATM 2126 O HOH 67 14.935 -9.028 13.056 1.00 11.09 O HETATM 2127 O HOH 68 15.205 -5.309 14.581 1.00 9.59 O HETATM 2128 O HOH 69 14.916 -3.969 -3.844 1.00 27.08 O HETATM 2129 O HOH 70 15.024 4.283 4.047 1.00 59.20 O HETATM 2130 O HOH 71 15.811 -9.886 10.345 1.00 32.87 O HETATM 2131 O HOH 72 15.625 -3.621 -10.589 1.00 26.85 O HETATM 2132 O HOH 73 15.417 4.007 0.033 1.00 17.20 O HETATM 2133 O HOH 74 15.819 15.737 10.041 1.00 35.34 O HETATM 2134 O HOH 75 15.324 16.783 2.399 1.00 15.42 O HETATM 2135 O HOH 76 16.036 -11.171 7.320 1.00 35.43 O HETATM 2136 O HOH 77 16.298 -0.886 -9.662 1.00 17.82 O HETATM 2137 O HOH 78 16.480 0.589 17.550 1.00 19.57 O HETATM 2138 O HOH 79 16.142 14.703 15.045 1.00 21.22 O HETATM 2139 O HOH 80 16.325 19.979 0.128 1.00 18.04 O HETATM 2140 O HOH 81 17.007 -8.899 5.768 1.00 14.30 O HETATM 2141 O HOH 82 16.636 -1.817 2.506 1.00 24.11 O HETATM 2142 O HOH 83 16.418 15.210 -5.015 1.00 32.61 O HETATM 2143 O HOH 84 16.894 18.202 -2.017 1.00 13.53 O HETATM 2144 O HOH 85 17.872 -12.170 13.913 1.00 31.10 O HETATM 2145 O HOH 86 17.040 2.230 2.515 1.00 35.88 O HETATM 2146 O HOH 87 16.972 5.053 -9.869 1.00 30.65 O HETATM 2147 O HOH 88 17.603 -12.033 10.412 1.00 39.27 O HETATM 2148 O HOH 89 17.791 -8.646 19.897 1.00 36.41 O HETATM 2149 O HOH 90 18.020 -0.535 -12.127 1.00 20.12 O HETATM 2150 O HOH 91 17.998 7.059 -8.989 1.00 29.95 O HETATM 2151 O HOH 92 18.256 12.124 16.267 1.00 27.18 O HETATM 2152 O HOH 93 18.541 1.959 -3.630 1.00 12.32 O HETATM 2153 O HOH 94 18.730 9.533 13.172 1.00 23.05 O HETATM 2154 O HOH 95 18.914 13.131 -7.972 1.00 34.37 O HETATM 2155 O HOH 96 18.213 14.045 -3.909 1.00 32.54 O HETATM 2156 O HOH 97 19.239 -10.045 8.643 1.00 71.91 O HETATM 2157 O HOH 98 19.142 0.252 5.833 1.00 26.19 O HETATM 2158 O HOH 99 19.358 11.375 -10.933 1.00 39.36 O HETATM 2159 O HOH 100 19.598 12.229 -4.759 1.00 27.36 O HETATM 2160 O HOH 101 19.525 16.716 -3.052 1.00 27.86 O HETATM 2161 O HOH 102 18.923 19.366 6.392 1.00 28.02 O HETATM 2162 O HOH 103 19.651 -8.468 6.209 1.00 25.48 O HETATM 2163 O HOH 104 20.348 -4.861 2.836 1.00 32.47 O HETATM 2164 O HOH 105 20.027 -4.888 19.658 1.00 24.91 O HETATM 2165 O HOH 106 19.671 0.902 0.937 1.00 15.81 O HETATM 2166 O HOH 107 20.469 9.063 -2.897 1.00 20.13 O HETATM 2167 O HOH 108 19.769 17.287 7.814 1.00 19.87 O HETATM 2168 O HOH 109 20.290 -1.599 -8.982 1.00 23.69 O HETATM 2169 O HOH 110 20.302 1.640 -1.532 1.00 23.95 O HETATM 2170 O HOH 111 20.341 5.769 -9.270 1.00 28.28 O HETATM 2171 O HOH 112 20.560 -2.347 3.565 1.00 17.86 O HETATM 2172 O HOH 113 21.317 -3.950 -7.039 1.00 26.10 O HETATM 2173 O HOH 114 21.414 0.113 2.787 1.00 19.06 O HETATM 2174 O HOH 115 21.838 1.636 5.412 1.00 17.87 O HETATM 2175 O HOH 116 22.816 -13.948 9.455 1.00 36.40 O HETATM 2176 O HOH 117 22.344 -3.445 16.359 1.00 18.79 O HETATM 2177 O HOH 118 22.501 -10.958 17.077 1.00 30.00 O HETATM 2178 O HOH 119 22.630 7.218 -9.112 1.00 30.18 O HETATM 2179 O HOH 120 13.299 -12.499 7.919 1.00 31.56 O HETATM 2180 O HOH 121 23.283 -2.091 -9.007 1.00 51.86 O HETATM 2181 O HOH 122 23.488 3.462 6.880 1.00 11.08 O HETATM 2182 O HOH 123 23.644 4.611 -11.903 1.00 38.06 O HETATM 2183 O HOH 124 23.982 5.950 16.324 1.00 30.72 O HETATM 2184 O HOH 125 24.216 -13.431 13.658 1.00 42.43 O HETATM 2185 O HOH 126 24.520 17.560 12.519 1.00 19.22 O HETATM 2186 O HOH 127 25.812 -8.049 18.530 1.00 41.60 O HETATM 2187 O HOH 128 26.095 7.173 18.941 1.00 36.56 O HETATM 2188 O HOH 129 25.760 13.984 -3.162 1.00 23.25 O HETATM 2189 O HOH 130 9.858 16.249 -6.821 1.00 25.47 O HETATM 2190 O HOH 131 26.130 11.585 16.916 1.00 20.72 O HETATM 2191 O HOH 132 26.619 16.687 1.706 1.00 18.50 O HETATM 2192 O HOH 133 26.494 -13.165 11.118 1.00 55.35 O HETATM 2193 O HOH 134 27.388 11.926 -3.279 1.00 23.62 O HETATM 2194 O HOH 135 26.794 18.191 6.597 1.00 26.06 O HETATM 2195 O HOH 136 27.325 7.967 15.089 1.00 22.83 O HETATM 2196 O HOH 137 28.010 18.489 9.877 1.00 29.44 O HETATM 2197 O HOH 138 28.700 -4.849 15.837 1.00 35.10 O HETATM 2198 O HOH 139 29.458 -6.352 13.900 1.00 45.75 O HETATM 2199 O HOH 140 29.322 5.944 18.288 1.00 33.87 O HETATM 2200 O HOH 141 29.509 -0.647 17.331 1.00 28.38 O HETATM 2201 O HOH 142 29.944 5.891 15.755 1.00 17.30 O HETATM 2202 O HOH 143 30.507 -3.209 16.784 1.00 25.03 O HETATM 2203 O HOH 144 30.779 0.801 -1.056 1.00 35.66 O HETATM 2204 O HOH 145 31.098 16.599 11.578 1.00 30.46 O HETATM 2205 O HOH 146 31.400 -5.707 10.525 1.00 27.59 O HETATM 2206 O HOH 147 31.406 14.325 12.522 1.00 15.89 O HETATM 2207 O HOH 148 31.748 -5.206 13.208 1.00 22.97 O HETATM 2208 O HOH 149 31.935 -3.968 6.937 1.00 18.46 O HETATM 2209 O HOH 150 31.771 16.529 8.007 1.00 46.07 O HETATM 2210 O HOH 151 32.265 -0.989 2.773 1.00 26.70 O HETATM 2211 O HOH 152 32.646 1.997 0.044 1.00 35.77 O HETATM 2212 O HOH 153 32.265 8.925 17.752 1.00 41.03 O HETATM 2213 O HOH 154 32.684 14.385 -1.570 1.00 44.59 O HETATM 2214 O HOH 155 32.710 2.243 7.651 1.00 23.15 O HETATM 2215 O HOH 156 33.422 5.360 17.376 1.00 44.43 O HETATM 2216 O HOH 157 33.100 14.764 14.168 1.00 28.94 O HETATM 2217 O HOH 158 32.977 18.219 5.498 1.00 40.72 O HETATM 2218 O HOH 159 33.318 -4.134 9.185 1.00 32.21 O HETATM 2219 O HOH 160 33.218 -2.489 4.722 1.00 53.51 O HETATM 2220 O HOH 161 33.768 3.281 -3.512 1.00 27.37 O HETATM 2221 O HOH 162 34.019 6.720 11.436 1.00 31.57 O HETATM 2222 O HOH 163 33.971 9.517 9.829 1.00 33.64 O HETATM 2223 O HOH 164 33.725 -1.074 6.776 1.00 32.71 O HETATM 2224 O HOH 165 34.633 -0.291 9.403 1.00 26.86 O HETATM 2225 O HOH 166 35.292 -6.142 10.868 1.00 44.75 O HETATM 2226 O HOH 167 35.325 1.700 1.925 1.00 44.96 O HETATM 2227 O HOH 168 35.361 2.365 16.250 1.00 27.08 O HETATM 2228 O HOH 169 35.546 15.448 6.936 1.00 36.63 O HETATM 2229 O HOH 170 35.824 3.183 6.856 1.00 42.55 O HETATM 2230 O HOH 171 36.507 5.628 -4.751 1.00 29.13 O HETATM 2231 O HOH 172 37.110 4.217 3.927 1.00 41.95 O HETATM 2232 O HOH 173 38.064 5.185 -0.527 1.00 46.60 O HETATM 2233 O HOH 174 36.961 6.574 3.787 1.00 51.06 O HETATM 2234 O19 CRZ A 175 17.408 7.229 2.002 1.00 -0.57 O HETATM 2235 C1 CRZ A 175 17.928 6.424 2.761 1.00 0.03 C HETATM 2236 O18 CRZ A 175 17.192 5.406 3.196 1.00 -0.57 O HETATM 2237 C2 CRZ A 175 19.371 6.573 3.192 1.00 0.00 C HETATM 2238 C3 CRZ A 175 19.838 5.404 4.081 1.00 -0.02 C HETATM 2239 C4 CRZ A 175 20.133 4.117 3.289 1.00 0.05 C HETATM 2240 N5 CRZ A 175 21.033 4.335 2.146 1.00 -0.26 N HETATM 2241 C6 CRZ A 175 20.615 4.517 0.849 1.00 0.07 C HETATM 2242 C17 CRZ A 175 19.382 4.610 0.201 1.00 -0.04 C HETATM 2243 C16 CRZ A 175 19.348 4.822 -1.188 1.00 -0.07 C HETATM 2244 C15 CRZ A 175 20.519 4.952 -1.953 1.00 -0.07 C HETATM 2245 C14 CRZ A 175 21.787 4.862 -1.362 1.00 -0.07 C HETATM 2246 C7 CRZ A 175 21.827 4.658 0.011 1.00 -0.00 C HETATM 2247 C8 CRZ A 175 22.960 4.525 0.906 1.00 -0.00 C HETATM 2248 C9 CRZ A 175 22.398 4.321 2.256 1.00 0.07 C HETATM 2249 C10 CRZ A 175 23.306 4.174 3.311 1.00 -0.04 C HETATM 2250 C11 CRZ A 175 24.677 4.215 3.032 1.00 -0.07 C HETATM 2251 C12 CRZ A 175 25.183 4.405 1.738 1.00 -0.07 C HETATM 2252 C13 CRZ A 175 24.329 4.570 0.641 1.00 -0.07 C HETATM 2253 H12 CRZ A 175 24.711 4.725 -0.361 1.00 0.06 H HETATM 2254 H13 CRZ A 175 26.256 4.425 1.584 1.00 0.05 H HETATM 2255 H14 CRZ A 175 25.377 4.095 3.851 1.00 0.06 H HETATM 2256 H11 CRZ A 175 22.954 4.031 4.326 1.00 0.05 H HETATM 2257 H8 CRZ A 175 22.694 4.948 -1.949 1.00 0.06 H HETATM 2258 H9 CRZ A 175 20.441 5.125 -3.020 1.00 0.05 H HETATM 2259 H10 CRZ A 175 18.387 4.887 -1.685 1.00 0.06 H HETATM 2260 H7 CRZ A 175 18.460 4.520 0.764 1.00 0.05 H HETATM 2261 H5 CRZ A 175 19.182 3.712 2.913 1.00 0.06 H HETATM 2262 H6 CRZ A 175 20.600 3.388 3.968 1.00 0.06 H HETATM 2263 H3 CRZ A 175 19.049 5.188 4.817 1.00 0.03 H HETATM 2264 H4 CRZ A 175 20.755 5.709 4.606 1.00 0.03 H HETATM 2265 H1 CRZ A 175 19.477 7.511 3.756 1.00 0.04 H HETATM 2266 H2 CRZ A 175 20.006 6.611 2.295 1.00 0.04 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2234 2235 CONECT 2235 2234 2236 2237 CONECT 2236 2235 CONECT 2237 2235 2238 2265 2266 CONECT 2238 2237 2239 2263 2264 CONECT 2239 2238 2240 2261 2262 CONECT 2240 2239 2241 2248 CONECT 2241 2240 2242 2246 CONECT 2242 2241 2243 2260 CONECT 2243 2242 2244 2259 CONECT 2244 2243 2245 2258 CONECT 2245 2244 2246 2257 CONECT 2246 2241 2245 2247 CONECT 2247 2246 2248 2252 CONECT 2248 2240 2247 2249 CONECT 2249 2248 2250 2256 CONECT 2250 2249 2251 2255 CONECT 2251 2250 2252 2254 CONECT 2252 2247 2251 2253 CONECT 2253 2252 CONECT 2254 2251 CONECT 2255 2250 CONECT 2256 2249 CONECT 2257 2245 CONECT 2258 2244 CONECT 2259 2243 CONECT 2260 2242 CONECT 2261 2239 CONECT 2262 2239 CONECT 2263 2238 CONECT 2264 2238 CONECT 2265 2237 CONECT 2266 2237 MASTER 0 0 0 0 0 0 0 0 2265 1 37 11 END
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Structure:
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Related entries of code: 1tow
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1adl
RCSB PDB
PDBbind
131aa, >1ADL_1|Chain... at 100%
1g74
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PDBbind
131aa, >1G74_1|Chain... at 97%
1tou
RCSB PDB
PDBbind
131aa, >1TOU_1|Chain... at 91%
2ans
RCSB PDB
PDBbind
131aa, >2ANS_1|Chains... at 100%
2nnq
RCSB PDB
PDBbind
131aa, >2NNQ_1|Chain... at 91%
2qm9
RCSB PDB
PDBbind
155aa, >2QM9_1|Chains... *
3fr2
RCSB PDB
PDBbind
131aa, >3FR2_1|Chain... at 91%
3fr4
RCSB PDB
PDBbind
132aa, >3FR4_1|Chain... at 91%
3fr5
RCSB PDB
PDBbind
131aa, >3FR5_1|Chain... at 91%
3hk1
RCSB PDB
PDBbind
131aa, >3HK1_1|Chain... at 100%
5c0n
RCSB PDB
PDBbind
132aa, >5C0N_1|Chains... at 100%
5d8j
RCSB PDB
PDBbind
134aa, >5D8J_1|Chain... at 98%
5edb
RCSB PDB
PDBbind
134aa, >5EDB_1|Chain... at 90%
5edc
RCSB PDB
PDBbind
133aa, >5EDC_1|Chain... at 90%
5hz6
RCSB PDB
PDBbind
131aa, >5HZ6_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1tow
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
fatty acid binding protein, adipocyte
Ligand Name
CRZ
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=0.57uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
BIOORG.MED.CHEM.LETT.v14;pp.4445-4448
Ligand Properties
Formula
C
1
6
H
1
5
NO
2
Molecular Weight
253.296
Exact Mass
253.110
No. of atoms
34
No. of bonds
36
Polar Surface Area
42.23
LOGP Value
4.57 (
Computed with XLOGP3
)
3.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
OC(=O)CCCn1c2ccccc2c2c1cccc2
InChI String
InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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