Browse entries in the PDBbind-CN Database
HEADER 6GFS_COMPLEX COMPND 6GFS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 162 LEU ILE VAL THR GLN THR MET LYS GLY LEU ASP ILE GLN SEQRES 2 A 162 LYS VAL ALA GLY THR TRP TYR SER LEU ALA MET ALA ALA SEQRES 3 A 162 SER ASP ILE SER LEU LEU ASP ALA GLN SER ALA PRO LEU SEQRES 4 A 162 ARG VAL TYR VAL GLU GLU LEU LYS PRO THR PRO GLU GLY SEQRES 5 A 162 ASP LEU GLU ILE LEU LEU GLN LYS TRP GLU ASN GLY GLU SEQRES 6 A 162 CYS ALA GLN LYS LYS ILE ILE ALA GLU LYS THR LYS ILE SEQRES 7 A 162 PRO ALA VAL PHE LYS ILE ASP ALA LEU ASN GLU ASN LYS SEQRES 8 A 162 VAL LEU VAL LEU ASP THR ASP TYR LYS LYS TYR LEU LEU SEQRES 9 A 162 PHE CYS MET GLU ASN SER ALA GLU PRO GLU GLN SER LEU SEQRES 10 A 162 ALA CYS GLN CYS LEU VAL ARG THR PRO GLU VAL ASP ASP SEQRES 11 A 162 GLU ALA LEU GLU LYS PHE ASP LYS ALA LEU LYS ALA LEU SEQRES 12 A 162 PRO MET HIS ILE ARG LEU SER PHE ASN PRO THR GLN LEU SEQRES 13 A 162 GLU GLU GLN CYS HIS ILE HET F A 15 46 SSBOND 1 CYS A 106 CYS A 119 SSBOND 2 CYS A 66 CYS A 160 ATOM 1 N LEU A 1 20.099 12.826 54.794 1.00 88.67 N ATOM 2 CA LEU A 1 20.863 11.553 54.974 1.00 87.78 C ATOM 3 C LEU A 1 21.386 11.487 56.416 1.00 82.41 C ATOM 4 O LEU A 1 22.468 12.004 56.693 1.00 84.49 O ATOM 5 CB LEU A 1 22.013 11.490 53.956 1.00 91.37 C ATOM 6 CG LEU A 1 21.716 10.866 52.586 1.00 92.12 C ATOM 7 CD1 LEU A 1 22.990 10.301 51.967 1.00 89.88 C ATOM 8 CD2 LEU A 1 20.649 9.773 52.646 1.00 90.57 C ATOM 9 HN3 LEU A 1 20.727 13.635 54.978 1.00 0.00 H ATOM 10 HN2 LEU A 1 19.300 12.847 55.460 1.00 0.00 H ATOM 11 HN1 LEU A 1 19.741 12.879 53.819 1.00 0.00 H ATOM 12 N ILE A 2 20.628 10.849 57.320 1.00 72.09 N ATOM 13 CA ILE A 2 21.059 10.729 58.716 1.00 67.56 C ATOM 14 C ILE A 2 22.113 9.620 58.803 1.00 58.21 C ATOM 15 O ILE A 2 23.183 9.817 59.395 1.00 59.55 O ATOM 16 CB ILE A 2 19.881 10.484 59.680 1.00 68.41 C ATOM 17 CG1 ILE A 2 18.781 11.529 59.497 1.00 76.54 C ATOM 18 CG2 ILE A 2 20.346 10.432 61.131 1.00 67.25 C ATOM 19 CD1 ILE A 2 17.458 11.086 60.063 1.00 82.19 C ATOM 20 H ILE A 2 19.721 10.433 57.026 1.00 0.00 H ATOM 21 N VAL A 3 21.778 8.454 58.240 1.00 51.36 N ATOM 22 CA VAL A 3 22.633 7.280 58.313 1.00 47.26 C ATOM 23 C VAL A 3 23.801 7.488 57.336 1.00 48.85 C ATOM 24 O VAL A 3 23.584 7.807 56.170 1.00 50.48 O ATOM 25 CB VAL A 3 21.869 5.969 58.045 1.00 45.36 C ATOM 26 CG1 VAL A 3 22.810 4.780 58.063 1.00 43.12 C ATOM 27 CG2 VAL A 3 20.738 5.731 59.039 1.00 41.88 C ATOM 28 H VAL A 3 20.873 8.384 57.732 1.00 0.00 H ATOM 29 N THR A 4 25.028 7.316 57.839 1.00 48.86 N ATOM 30 CA THR A 4 26.287 7.488 57.077 1.00 54.21 C ATOM 31 C THR A 4 27.168 6.233 57.200 1.00 50.38 C ATOM 32 O THR A 4 28.411 6.272 57.386 1.00 48.79 O ATOM 33 CB THR A 4 27.073 8.687 57.615 1.00 56.50 C ATOM 34 OG1 THR A 4 27.344 8.425 58.993 1.00 60.56 O ATOM 35 CG2 THR A 4 26.343 10.002 57.451 1.00 61.88 C ATOM 36 HG1 THR A 4 27.876 7.594 59.071 1.00 0.00 H ATOM 37 H THR A 4 25.104 7.041 58.839 1.00 0.00 H ATOM 38 N GLN A 5 26.482 5.096 57.188 1.00 43.74 N ATOM 39 CA GLN A 5 27.128 3.820 57.068 1.00 44.77 C ATOM 40 C GLN A 5 26.313 3.033 56.046 1.00 39.52 C ATOM 41 O GLN A 5 25.137 2.853 56.208 1.00 41.33 O ATOM 42 CB GLN A 5 27.256 3.129 58.425 1.00 45.51 C ATOM 43 CG GLN A 5 28.173 1.909 58.379 1.00 51.79 C ATOM 44 CD GLN A 5 28.049 1.008 59.587 1.00 51.34 C ATOM 45 OE1 GLN A 5 27.700 1.469 60.675 1.00 59.58 O ATOM 46 NE2 GLN A 5 28.410 -0.254 59.418 1.00 46.25 N ATOM 47 HE22 GLN A 5 28.696 -0.591 58.477 1.00 0.00 H ATOM 48 HE21 GLN A 5 28.408 -0.908 60.226 1.00 0.00 H ATOM 49 H GLN A 5 25.446 5.131 57.268 1.00 0.00 H ATOM 50 N THR A 6 26.927 2.717 54.915 1.00 39.50 N ATOM 51 CA THR A 6 26.367 1.791 53.953 1.00 38.26 C ATOM 52 C THR A 6 27.443 0.752 53.639 1.00 37.81 C ATOM 53 O THR A 6 28.667 0.983 53.720 1.00 39.34 O ATOM 54 CB THR A 6 25.843 2.490 52.691 1.00 40.24 C ATOM 55 OG1 THR A 6 26.924 3.259 52.182 1.00 42.45 O ATOM 56 CG2 THR A 6 24.664 3.402 52.940 1.00 41.66 C ATOM 57 HG1 THR A 6 26.634 3.732 51.362 1.00 0.00 H ATOM 58 H THR A 6 27.849 3.152 54.710 1.00 0.00 H ATOM 59 N MET A 7 26.927 -0.399 53.229 1.00 34.97 N ATOM 60 CA MET A 7 27.697 -1.576 52.889 1.00 37.32 C ATOM 61 C MET A 7 28.321 -1.268 51.517 1.00 37.48 C ATOM 62 O MET A 7 27.627 -0.834 50.608 1.00 38.10 O ATOM 63 CB MET A 7 26.704 -2.746 52.897 1.00 37.92 C ATOM 64 CG MET A 7 27.180 -4.138 52.513 1.00 42.15 C ATOM 65 SD MET A 7 28.499 -4.717 53.571 1.00 47.57 S ATOM 66 CE MET A 7 29.041 -6.111 52.574 1.00 50.50 C ATOM 67 H MET A 7 25.892 -0.460 53.146 1.00 0.00 H ATOM 68 N LYS A 8 29.645 -1.282 51.448 1.00 37.34 N ATOM 69 CA LYS A 8 30.314 -1.257 50.176 1.00 40.39 C ATOM 70 C LYS A 8 30.305 -2.660 49.570 1.00 39.94 C ATOM 71 O LYS A 8 30.588 -3.630 50.246 1.00 40.97 O ATOM 72 CB LYS A 8 31.790 -0.883 50.318 1.00 43.76 C ATOM 73 CG LYS A 8 32.058 0.542 50.743 1.00 44.89 C ATOM 74 CD LYS A 8 33.424 0.993 50.292 1.00 48.62 C ATOM 75 CE LYS A 8 33.601 2.463 50.547 1.00 48.43 C ATOM 76 NZ LYS A 8 34.993 2.844 50.287 1.00 50.38 N ATOM 77 HZ1 LYS A 8 35.622 2.306 50.916 1.00 0.00 H ATOM 78 HZ2 LYS A 8 35.229 2.634 49.296 1.00 0.00 H ATOM 79 HZ3 LYS A 8 35.111 3.862 50.465 1.00 0.00 H ATOM 80 H LYS A 8 30.205 -1.311 52.324 1.00 0.00 H ATOM 81 N GLY A 9 30.022 -2.703 48.261 1.00 41.73 N ATOM 82 CA GLY A 9 30.129 -3.909 47.461 1.00 42.82 C ATOM 83 C GLY A 9 28.965 -4.838 47.714 1.00 41.04 C ATOM 84 O GLY A 9 29.083 -6.031 47.470 1.00 43.53 O ATOM 85 H GLY A 9 29.710 -1.827 47.795 1.00 0.00 H ATOM 86 N LEU A 10 27.827 -4.298 48.173 1.00 37.29 N ATOM 87 CA LEU A 10 26.690 -5.139 48.473 1.00 36.08 C ATOM 88 C LEU A 10 26.291 -5.963 47.241 1.00 38.39 C ATOM 89 O LEU A 10 26.064 -5.441 46.136 1.00 40.02 O ATOM 90 CB LEU A 10 25.490 -4.297 48.913 1.00 33.66 C ATOM 91 CG LEU A 10 24.209 -5.096 49.155 1.00 32.02 C ATOM 92 CD1 LEU A 10 24.429 -6.148 50.215 1.00 31.03 C ATOM 93 CD2 LEU A 10 23.034 -4.194 49.514 1.00 31.02 C ATOM 94 H LEU A 10 27.762 -3.270 48.314 1.00 0.00 H ATOM 95 N ASP A 11 26.160 -7.269 47.448 1.00 38.33 N ATOM 96 CA ASP A 11 25.558 -8.132 46.430 1.00 41.22 C ATOM 97 C ASP A 11 24.143 -8.497 46.892 1.00 37.49 C ATOM 98 O ASP A 11 24.001 -9.433 47.673 1.00 37.61 O ATOM 99 CB ASP A 11 26.405 -9.374 46.156 1.00 44.80 C ATOM 100 CG ASP A 11 25.886 -10.182 44.951 1.00 50.16 C ATOM 101 OD1 ASP A 11 24.757 -9.890 44.453 1.00 52.52 O ATOM 102 OD2 ASP A 11 26.632 -11.088 44.495 1.00 52.11 O ATOM 103 H ASP A 11 26.489 -7.683 48.344 1.00 0.00 H ATOM 104 N ILE A 12 23.116 -7.844 46.326 1.00 36.24 N ATOM 105 CA ILE A 12 21.757 -7.940 46.870 1.00 36.56 C ATOM 106 C ILE A 12 21.232 -9.381 46.735 1.00 38.36 C ATOM 107 O ILE A 12 20.535 -9.853 47.632 1.00 38.39 O ATOM 108 CB ILE A 12 20.794 -6.890 46.261 1.00 36.27 C ATOM 109 CG1 ILE A 12 19.545 -6.684 47.134 1.00 35.43 C ATOM 110 CG2 ILE A 12 20.442 -7.238 44.825 1.00 39.16 C ATOM 111 CD1 ILE A 12 19.783 -6.339 48.583 1.00 33.57 C ATOM 112 H ILE A 12 23.287 -7.258 45.484 1.00 0.00 H ATOM 113 N GLN A 13 21.644 -10.126 45.692 1.00 41.10 N ATOM 114 CA GLN A 13 21.129 -11.483 45.486 1.00 42.85 C ATOM 115 C GLN A 13 21.469 -12.355 46.710 1.00 43.64 C ATOM 116 O GLN A 13 20.645 -13.210 47.108 1.00 44.05 O ATOM 117 CB GLN A 13 21.644 -12.067 44.164 1.00 47.09 C ATOM 118 CG GLN A 13 21.234 -11.275 42.920 1.00 48.99 C ATOM 119 CD GLN A 13 19.744 -11.203 42.644 1.00 50.98 C ATOM 120 OE1 GLN A 13 18.967 -12.068 43.039 1.00 50.35 O ATOM 121 NE2 GLN A 13 19.313 -10.185 41.905 1.00 51.75 N ATOM 122 HE22 GLN A 13 19.983 -9.460 41.578 1.00 0.00 H ATOM 123 HE21 GLN A 13 18.306 -10.114 41.654 1.00 0.00 H ATOM 124 H GLN A 13 22.337 -9.733 45.023 1.00 0.00 H ATOM 125 N LYS A 14 22.586 -12.053 47.392 1.00 42.04 N ATOM 126 CA LYS A 14 23.115 -12.851 48.473 1.00 40.71 C ATOM 127 C LYS A 14 22.406 -12.581 49.813 1.00 37.61 C ATOM 128 O LYS A 14 22.680 -13.267 50.786 1.00 34.27 O ATOM 129 CB LYS A 14 24.625 -12.638 48.601 1.00 44.21 C ATOM 130 CG LYS A 14 25.436 -13.260 47.469 1.00 49.07 C ATOM 131 CD LYS A 14 26.910 -12.951 47.537 1.00 55.11 C ATOM 132 CE LYS A 14 27.657 -13.736 48.595 1.00 59.50 C ATOM 133 NZ LYS A 14 29.043 -13.236 48.775 1.00 62.79 N ATOM 134 HZ1 LYS A 14 29.561 -13.322 47.877 1.00 0.00 H ATOM 135 HZ2 LYS A 14 29.015 -12.238 49.066 1.00 0.00 H ATOM 136 HZ3 LYS A 14 29.521 -13.799 49.507 1.00 0.00 H ATOM 137 H LYS A 14 23.102 -11.191 47.125 1.00 0.00 H ATOM 138 N VAL A 15 21.475 -11.621 49.881 1.00 35.26 N ATOM 139 CA VAL A 15 20.652 -11.467 51.079 1.00 32.02 C ATOM 140 C VAL A 15 19.334 -12.247 50.943 1.00 31.35 C ATOM 141 O VAL A 15 18.514 -12.218 51.836 1.00 29.86 O ATOM 142 CB VAL A 15 20.394 -9.990 51.434 1.00 31.21 C ATOM 143 CG1 VAL A 15 21.696 -9.221 51.491 1.00 31.39 C ATOM 144 CG2 VAL A 15 19.409 -9.328 50.491 1.00 32.71 C ATOM 145 H VAL A 15 21.336 -10.979 49.074 1.00 0.00 H ATOM 146 N ALA A 16 19.158 -13.045 49.890 1.00 33.34 N ATOM 147 CA ALA A 16 17.934 -13.772 49.683 1.00 34.50 C ATOM 148 C ALA A 16 17.765 -14.753 50.846 1.00 34.64 C ATOM 149 O ALA A 16 18.757 -15.287 51.372 1.00 34.52 O ATOM 150 CB ALA A 16 17.952 -14.530 48.374 1.00 37.16 C ATOM 151 H ALA A 16 19.928 -13.145 49.198 1.00 0.00 H ATOM 152 N GLY A 17 16.499 -15.030 51.174 1.00 35.29 N ATOM 153 CA GLY A 17 16.155 -16.091 52.101 1.00 35.47 C ATOM 154 C GLY A 17 15.633 -15.608 53.444 1.00 33.42 C ATOM 155 O GLY A 17 15.182 -14.443 53.580 1.00 33.19 O ATOM 156 H GLY A 17 15.735 -14.466 50.750 1.00 0.00 H ATOM 157 N THR A 18 15.797 -16.509 54.425 1.00 32.38 N ATOM 158 CA THR A 18 15.251 -16.402 55.775 1.00 32.38 C ATOM 159 C THR A 18 16.057 -15.432 56.655 1.00 29.84 C ATOM 160 O THR A 18 17.260 -15.461 56.652 1.00 30.69 O ATOM 161 CB THR A 18 15.194 -17.755 56.495 1.00 33.56 C ATOM 162 OG1 THR A 18 14.410 -18.642 55.699 1.00 35.81 O ATOM 163 CG2 THR A 18 14.557 -17.640 57.862 1.00 35.15 C ATOM 164 HG1 THR A 18 14.358 -19.525 56.144 1.00 0.00 H ATOM 165 H THR A 18 16.361 -17.355 54.205 1.00 0.00 H ATOM 166 N TRP A 19 15.337 -14.543 57.356 1.00 28.67 N ATOM 167 CA TRP A 19 15.906 -13.690 58.354 1.00 27.04 C ATOM 168 C TRP A 19 14.945 -13.570 59.531 1.00 26.95 C ATOM 169 O TRP A 19 13.719 -13.731 59.381 1.00 26.24 O ATOM 170 CB TRP A 19 16.212 -12.307 57.771 1.00 28.85 C ATOM 171 CG TRP A 19 17.254 -12.273 56.693 1.00 28.62 C ATOM 172 CD1 TRP A 19 17.086 -12.230 55.344 1.00 31.26 C ATOM 173 CD2 TRP A 19 18.669 -12.147 56.912 1.00 28.51 C ATOM 174 NE1 TRP A 19 18.297 -12.118 54.715 1.00 29.76 N ATOM 175 CE2 TRP A 19 19.292 -12.119 55.650 1.00 30.09 C ATOM 176 CE3 TRP A 19 19.465 -12.064 58.058 1.00 28.52 C ATOM 177 CZ2 TRP A 19 20.672 -11.990 55.502 1.00 30.90 C ATOM 178 CZ3 TRP A 19 20.830 -11.966 57.909 1.00 28.74 C ATOM 179 CH2 TRP A 19 21.426 -11.969 56.648 1.00 29.72 C ATOM 180 HE1 TRP A 19 18.437 -12.044 53.687 1.00 0.00 H ATOM 181 H TRP A 19 14.317 -14.470 57.165 1.00 0.00 H ATOM 182 N TYR A 20 15.569 -13.211 60.660 1.00 26.52 N ATOM 183 CA TYR A 20 14.981 -12.939 61.965 1.00 27.58 C ATOM 184 C TYR A 20 15.322 -11.521 62.419 1.00 25.54 C ATOM 185 O TYR A 20 16.468 -11.125 62.459 1.00 24.76 O ATOM 186 CB TYR A 20 15.524 -13.898 63.036 1.00 26.72 C ATOM 187 CG TYR A 20 15.100 -15.333 62.804 1.00 30.32 C ATOM 188 CD1 TYR A 20 15.752 -16.190 61.930 1.00 30.45 C ATOM 189 CD2 TYR A 20 14.010 -15.826 63.491 1.00 31.95 C ATOM 190 CE1 TYR A 20 15.304 -17.490 61.733 1.00 33.59 C ATOM 191 CE2 TYR A 20 13.559 -17.117 63.308 1.00 33.44 C ATOM 192 CZ TYR A 20 14.196 -17.947 62.416 1.00 33.90 C ATOM 193 OH TYR A 20 13.669 -19.201 62.364 1.00 38.16 O ATOM 194 HH TYR A 20 13.734 -19.622 63.258 1.00 0.00 H ATOM 195 H TYR A 20 16.603 -13.114 60.598 1.00 0.00 H ATOM 196 N SER A 21 14.302 -10.786 62.843 1.00 25.18 N ATOM 197 CA SER A 21 14.557 -9.469 63.438 1.00 22.72 C ATOM 198 C SER A 21 14.971 -9.601 64.911 1.00 23.36 C ATOM 199 O SER A 21 14.120 -9.613 65.796 1.00 23.16 O ATOM 200 CB SER A 21 13.329 -8.643 63.283 1.00 23.38 C ATOM 201 OG SER A 21 13.030 -8.424 61.913 1.00 22.74 O ATOM 202 HG SER A 21 13.786 -7.952 61.483 1.00 0.00 H ATOM 203 H SER A 21 13.328 -11.141 62.754 1.00 0.00 H ATOM 204 N LEU A 22 16.279 -9.738 65.160 1.00 21.33 N ATOM 205 CA LEU A 22 16.769 -10.020 66.503 1.00 21.71 C ATOM 206 C LEU A 22 16.667 -8.784 67.423 1.00 22.55 C ATOM 207 O LEU A 22 16.357 -8.916 68.634 1.00 22.61 O ATOM 208 CB LEU A 22 18.211 -10.489 66.393 1.00 21.91 C ATOM 209 CG LEU A 22 18.957 -10.684 67.704 1.00 23.24 C ATOM 210 CD1 LEU A 22 18.392 -11.796 68.567 1.00 23.92 C ATOM 211 CD2 LEU A 22 20.409 -10.929 67.402 1.00 26.86 C ATOM 212 H LEU A 22 16.959 -9.641 64.379 1.00 0.00 H ATOM 213 N ALA A 23 16.946 -7.598 66.873 1.00 21.84 N ATOM 214 CA ALA A 23 16.897 -6.312 67.604 1.00 22.26 C ATOM 215 C ALA A 23 16.456 -5.194 66.666 1.00 24.63 C ATOM 216 O ALA A 23 16.650 -5.273 65.435 1.00 23.29 O ATOM 217 CB ALA A 23 18.225 -5.956 68.208 1.00 22.57 C ATOM 218 H ALA A 23 17.214 -7.578 65.868 1.00 0.00 H ATOM 219 N MET A 24 15.759 -4.229 67.269 1.00 24.08 N ATOM 220 CA MET A 24 15.235 -3.068 66.563 1.00 24.57 C ATOM 221 C MET A 24 15.505 -1.846 67.420 1.00 23.42 C ATOM 222 O MET A 24 15.425 -1.929 68.646 1.00 24.09 O ATOM 223 CB MET A 24 13.722 -3.107 66.388 1.00 26.10 C ATOM 224 CG MET A 24 13.156 -4.440 66.169 1.00 29.49 C ATOM 225 SD MET A 24 11.355 -4.366 66.165 1.00 29.84 S ATOM 226 CE MET A 24 11.171 -5.968 65.405 1.00 29.58 C ATOM 227 H MET A 24 15.582 -4.310 68.291 1.00 0.00 H ATOM 228 N ALA A 25 15.691 -0.701 66.768 1.00 22.81 N ATOM 229 CA ALA A 25 15.839 0.567 67.456 1.00 23.31 C ATOM 230 C ALA A 25 15.221 1.677 66.605 1.00 24.28 C ATOM 231 O ALA A 25 15.207 1.550 65.389 1.00 23.64 O ATOM 232 CB ALA A 25 17.298 0.838 67.679 1.00 24.22 C ATOM 233 H ALA A 25 15.732 -0.716 65.729 1.00 0.00 H ATOM 234 N ALA A 26 14.771 2.768 67.230 1.00 23.60 N ATOM 235 CA ALA A 26 14.176 3.837 66.502 1.00 24.73 C ATOM 236 C ALA A 26 14.477 5.166 67.193 1.00 28.14 C ATOM 237 O ALA A 26 14.823 5.220 68.393 1.00 29.17 O ATOM 238 CB ALA A 26 12.692 3.616 66.360 1.00 25.52 C ATOM 239 H ALA A 26 14.857 2.838 68.264 1.00 0.00 H ATOM 240 N SER A 27 14.287 6.256 66.436 1.00 29.60 N ATOM 241 CA SER A 27 14.612 7.576 66.860 1.00 32.17 C ATOM 242 C SER A 27 13.537 8.087 67.809 1.00 34.30 C ATOM 243 O SER A 27 13.794 9.003 68.550 1.00 36.32 O ATOM 244 CB SER A 27 14.741 8.504 65.670 1.00 34.88 C ATOM 245 OG SER A 27 13.676 8.223 64.763 1.00 34.27 O ATOM 246 HG SER A 27 13.737 7.280 64.467 1.00 0.00 H ATOM 247 H SER A 27 13.880 6.131 65.487 1.00 0.00 H ATOM 248 N ASP A 28 12.336 7.511 67.769 1.00 34.65 N ATOM 249 CA ASP A 28 11.237 7.966 68.573 1.00 37.12 C ATOM 250 C ASP A 28 10.554 6.729 69.155 1.00 34.28 C ATOM 251 O ASP A 28 10.371 5.727 68.475 1.00 31.94 O ATOM 252 CB ASP A 28 10.305 8.885 67.771 1.00 42.76 C ATOM 253 CG ASP A 28 10.994 10.083 67.123 1.00 47.01 C ATOM 254 OD1 ASP A 28 11.366 11.031 67.865 1.00 50.84 O ATOM 255 OD2 ASP A 28 11.140 10.091 65.859 1.00 51.64 O ATOM 256 H ASP A 28 12.189 6.702 67.132 1.00 0.00 H ATOM 257 N ILE A 29 10.230 6.791 70.446 1.00 34.05 N ATOM 258 CA ILE A 29 9.708 5.677 71.219 1.00 34.55 C ATOM 259 C ILE A 29 8.416 5.190 70.556 1.00 35.25 C ATOM 260 O ILE A 29 8.144 3.991 70.470 1.00 34.14 O ATOM 261 CB ILE A 29 9.455 6.097 72.688 1.00 36.88 C ATOM 262 CG1 ILE A 29 10.756 6.293 73.478 1.00 36.38 C ATOM 263 CG2 ILE A 29 8.503 5.123 73.368 1.00 37.07 C ATOM 264 CD1 ILE A 29 10.619 7.153 74.709 1.00 40.06 C ATOM 265 H ILE A 29 10.360 7.700 70.934 1.00 0.00 H ATOM 266 N SER A 30 7.623 6.161 70.103 1.00 38.05 N ATOM 267 CA SER A 30 6.338 5.918 69.495 1.00 40.77 C ATOM 268 C SER A 30 6.470 5.053 68.231 1.00 38.44 C ATOM 269 O SER A 30 5.538 4.357 67.917 1.00 40.60 O ATOM 270 CB SER A 30 5.631 7.247 69.276 1.00 45.51 C ATOM 271 OG SER A 30 6.426 8.110 68.455 1.00 48.37 O ATOM 272 HG SER A 30 5.951 8.968 68.324 1.00 0.00 H ATOM 273 H SER A 30 7.948 7.145 70.193 1.00 0.00 H ATOM 274 N LEU A 31 7.637 4.968 67.584 1.00 35.92 N ATOM 275 CA LEU A 31 7.801 4.151 66.363 1.00 34.71 C ATOM 276 C LEU A 31 7.818 2.635 66.631 1.00 32.57 C ATOM 277 O LEU A 31 7.589 1.842 65.712 1.00 29.89 O ATOM 278 CB LEU A 31 9.097 4.578 65.664 1.00 33.60 C ATOM 279 CG LEU A 31 9.099 5.988 65.058 1.00 36.49 C ATOM 280 CD1 LEU A 31 10.456 6.334 64.459 1.00 36.16 C ATOM 281 CD2 LEU A 31 8.041 6.116 63.978 1.00 37.72 C ATOM 282 H LEU A 31 8.456 5.494 67.952 1.00 0.00 H ATOM 283 N LEU A 32 8.141 2.221 67.869 1.00 32.08 N ATOM 284 CA LEU A 32 8.296 0.833 68.229 1.00 30.63 C ATOM 285 C LEU A 32 7.565 0.434 69.527 1.00 33.52 C ATOM 286 O LEU A 32 7.674 -0.750 69.823 1.00 32.56 O ATOM 287 CB LEU A 32 9.785 0.512 68.418 1.00 28.96 C ATOM 288 CG LEU A 32 10.688 0.497 67.184 1.00 28.59 C ATOM 289 CD1 LEU A 32 12.119 0.108 67.577 1.00 25.76 C ATOM 290 CD2 LEU A 32 10.161 -0.496 66.153 1.00 28.01 C ATOM 291 H LEU A 32 8.287 2.940 68.606 1.00 0.00 H ATOM 292 N ASP A 33 6.939 1.333 70.307 1.00 37.95 N ATOM 293 CA ASP A 33 6.575 1.037 71.726 1.00 42.96 C ATOM 294 C ASP A 33 5.446 -0.011 71.855 1.00 47.12 C ATOM 295 O ASP A 33 5.586 -1.018 72.541 1.00 51.12 O ATOM 296 CB ASP A 33 6.277 2.301 72.538 1.00 46.22 C ATOM 297 CG ASP A 33 5.048 3.026 72.025 1.00 50.54 C ATOM 298 OD1 ASP A 33 4.490 2.507 71.021 1.00 51.13 O ATOM 299 OD2 ASP A 33 4.671 4.072 72.599 1.00 48.89 O ATOM 300 H ASP A 33 6.701 2.264 69.910 1.00 0.00 H ATOM 301 N ALA A 34 4.311 0.178 71.182 1.00 51.98 N ATOM 302 CA ALA A 34 3.234 -0.830 71.177 1.00 52.08 C ATOM 303 C ALA A 34 3.482 -1.912 70.120 1.00 49.09 C ATOM 304 O ALA A 34 4.230 -1.723 69.162 1.00 46.43 O ATOM 305 CB ALA A 34 1.925 -0.137 70.938 1.00 55.71 C ATOM 306 H ALA A 34 4.181 1.060 70.646 1.00 0.00 H ATOM 307 N GLN A 35 2.781 -3.039 70.273 1.00 49.11 N ATOM 308 CA GLN A 35 2.848 -4.153 69.318 1.00 48.91 C ATOM 309 C GLN A 35 2.370 -3.653 67.944 1.00 45.55 C ATOM 310 O GLN A 35 2.842 -4.127 66.962 1.00 44.95 O ATOM 311 CB GLN A 35 2.064 -5.356 69.876 1.00 52.57 C ATOM 312 CG GLN A 35 2.061 -6.613 68.999 1.00 55.17 C ATOM 313 CD GLN A 35 3.385 -7.238 68.583 1.00 53.74 C ATOM 314 OE1 GLN A 35 4.053 -6.780 67.645 1.00 46.37 O ATOM 315 NE2 GLN A 35 3.771 -8.324 69.249 1.00 46.93 N ATOM 316 HE22 GLN A 35 3.191 -8.687 70.032 1.00 0.00 H ATOM 317 HE21 GLN A 35 4.652 -8.809 68.986 1.00 0.00 H ATOM 318 H GLN A 35 2.162 -3.131 71.103 1.00 0.00 H ATOM 319 N SER A 36 1.495 -2.643 67.902 1.00 47.10 N ATOM 320 CA SER A 36 0.946 -2.063 66.682 1.00 49.22 C ATOM 321 C SER A 36 1.661 -0.784 66.212 1.00 46.81 C ATOM 322 O SER A 36 1.163 -0.104 65.329 1.00 49.41 O ATOM 323 CB SER A 36 -0.489 -1.732 66.930 1.00 53.19 C ATOM 324 OG SER A 36 -0.565 -0.660 67.859 1.00 56.79 O ATOM 325 HG SER A 36 -0.100 0.131 67.487 1.00 0.00 H ATOM 326 H SER A 36 1.182 -2.240 68.808 1.00 0.00 H ATOM 327 N ALA A 37 2.801 -0.446 66.809 1.00 43.38 N ATOM 328 CA ALA A 37 3.582 0.711 66.444 1.00 41.47 C ATOM 329 C ALA A 37 3.981 0.609 64.980 1.00 40.02 C ATOM 330 O ALA A 37 4.336 -0.467 64.513 1.00 38.38 O ATOM 331 CB ALA A 37 4.814 0.797 67.315 1.00 38.40 C ATOM 332 H ALA A 37 3.148 -1.049 67.582 1.00 0.00 H ATOM 333 N PRO A 38 4.105 1.756 64.281 1.00 41.82 N ATOM 334 CA PRO A 38 4.272 1.767 62.827 1.00 40.72 C ATOM 335 C PRO A 38 5.518 1.072 62.282 1.00 37.35 C ATOM 336 O PRO A 38 5.438 0.484 61.200 1.00 36.14 O ATOM 337 CB PRO A 38 4.319 3.263 62.471 1.00 43.03 C ATOM 338 CG PRO A 38 3.533 3.917 63.591 1.00 46.05 C ATOM 339 CD PRO A 38 3.919 3.121 64.826 1.00 43.89 C ATOM 340 N LEU A 39 6.642 1.110 63.006 1.00 34.16 N ATOM 341 CA LEU A 39 7.783 0.421 62.486 1.00 31.92 C ATOM 342 C LEU A 39 8.101 -0.849 63.266 1.00 31.11 C ATOM 343 O LEU A 39 9.224 -1.389 63.095 1.00 27.63 O ATOM 344 CB LEU A 39 8.996 1.348 62.451 1.00 32.57 C ATOM 345 CG LEU A 39 8.835 2.518 61.489 1.00 35.49 C ATOM 346 CD1 LEU A 39 10.090 3.373 61.453 1.00 36.59 C ATOM 347 CD2 LEU A 39 8.535 1.980 60.111 1.00 36.78 C ATOM 348 H LEU A 39 6.685 1.620 63.911 1.00 0.00 H ATOM 349 N ARG A 40 7.135 -1.337 64.058 1.00 32.72 N ATOM 350 CA ARG A 40 7.344 -2.647 64.693 1.00 31.90 C ATOM 351 C ARG A 40 7.039 -3.734 63.650 1.00 29.41 C ATOM 352 O ARG A 40 5.905 -4.145 63.500 1.00 30.76 O ATOM 353 CB ARG A 40 6.480 -2.872 65.934 1.00 34.52 C ATOM 354 CG ARG A 40 7.036 -3.964 66.842 1.00 36.47 C ATOM 355 CD ARG A 40 7.307 -3.478 68.263 1.00 37.48 C ATOM 356 NE ARG A 40 7.182 -4.542 69.247 1.00 39.05 N ATOM 357 CZ ARG A 40 6.946 -4.384 70.532 1.00 40.01 C ATOM 358 NH1 ARG A 40 6.627 -3.211 71.037 1.00 41.29 N ATOM 359 NH2 ARG A 40 7.060 -5.425 71.330 1.00 47.59 N ATOM 360 HE ARG A 40 7.289 -5.518 68.903 1.00 0.00 H ATOM 361 HH12 ARG A 40 6.446 -3.116 72.057 1.00 0.00 H ATOM 362 HH11 ARG A 40 6.556 -2.380 70.416 1.00 0.00 H ATOM 363 HH22 ARG A 40 6.878 -5.322 72.349 1.00 0.00 H ATOM 364 HH21 ARG A 40 7.332 -6.351 70.942 1.00 0.00 H ATOM 365 H ARG A 40 6.258 -0.801 64.219 1.00 0.00 H ATOM 366 N VAL A 41 8.051 -4.097 62.865 1.00 26.72 N ATOM 367 CA VAL A 41 7.886 -5.067 61.798 1.00 27.43 C ATOM 368 C VAL A 41 8.936 -6.157 61.972 1.00 26.02 C ATOM 369 O VAL A 41 10.023 -5.906 62.440 1.00 25.78 O ATOM 370 CB VAL A 41 7.944 -4.415 60.404 1.00 29.10 C ATOM 371 CG1 VAL A 41 6.787 -3.441 60.296 1.00 31.91 C ATOM 372 CG2 VAL A 41 9.279 -3.757 60.144 1.00 27.41 C ATOM 373 H VAL A 41 8.988 -3.673 63.021 1.00 0.00 H ATOM 374 N TYR A 42 8.509 -7.382 61.660 1.00 26.62 N ATOM 375 CA TYR A 42 9.276 -8.575 61.922 1.00 26.41 C ATOM 376 C TYR A 42 9.557 -9.176 60.549 1.00 27.24 C ATOM 377 O TYR A 42 8.590 -9.511 59.888 1.00 29.20 O ATOM 378 CB TYR A 42 8.472 -9.537 62.798 1.00 29.07 C ATOM 379 CG TYR A 42 7.957 -8.901 64.060 1.00 28.17 C ATOM 380 CD1 TYR A 42 8.751 -8.848 65.183 1.00 29.13 C ATOM 381 CD2 TYR A 42 6.698 -8.351 64.137 1.00 31.05 C ATOM 382 CE1 TYR A 42 8.293 -8.340 66.386 1.00 29.40 C ATOM 383 CE2 TYR A 42 6.241 -7.777 65.314 1.00 33.04 C ATOM 384 CZ TYR A 42 7.049 -7.755 66.438 1.00 31.46 C ATOM 385 OH TYR A 42 6.647 -7.198 67.615 1.00 33.43 O ATOM 386 HH TYR A 42 5.835 -7.663 67.939 1.00 0.00 H ATOM 387 H TYR A 42 7.579 -7.481 61.206 1.00 0.00 H ATOM 388 N VAL A 43 10.834 -9.183 60.143 1.00 26.60 N ATOM 389 CA VAL A 43 11.220 -9.605 58.825 1.00 28.95 C ATOM 390 C VAL A 43 11.099 -11.126 58.786 1.00 30.66 C ATOM 391 O VAL A 43 11.486 -11.764 59.773 1.00 31.09 O ATOM 392 CB VAL A 43 12.637 -9.157 58.451 1.00 28.21 C ATOM 393 CG1 VAL A 43 13.074 -9.792 57.127 1.00 30.75 C ATOM 394 CG2 VAL A 43 12.714 -7.648 58.345 1.00 29.59 C ATOM 395 H VAL A 43 11.572 -8.872 60.806 1.00 0.00 H ATOM 396 N GLU A 44 10.561 -11.648 57.680 1.00 30.02 N ATOM 397 CA GLU A 44 10.424 -13.091 57.460 1.00 33.03 C ATOM 398 C GLU A 44 11.437 -13.528 56.391 1.00 33.21 C ATOM 399 O GLU A 44 12.199 -14.498 56.567 1.00 32.66 O ATOM 400 CB GLU A 44 8.966 -13.427 57.115 1.00 36.70 C ATOM 401 CG GLU A 44 8.689 -14.857 56.674 1.00 43.09 C ATOM 402 CD GLU A 44 7.276 -15.160 56.154 1.00 49.03 C ATOM 403 OE1 GLU A 44 6.302 -14.588 56.698 1.00 54.03 O ATOM 404 OE2 GLU A 44 7.111 -15.982 55.219 1.00 53.53 O ATOM 405 H GLU A 44 10.223 -11.000 56.940 1.00 0.00 H ATOM 406 N GLU A 45 11.402 -12.843 55.246 1.00 31.83 N ATOM 407 CA GLU A 45 12.138 -13.333 54.112 1.00 33.50 C ATOM 408 C GLU A 45 12.462 -12.112 53.236 1.00 32.57 C ATOM 409 O GLU A 45 11.654 -11.209 53.044 1.00 34.53 O ATOM 410 CB GLU A 45 11.313 -14.455 53.471 1.00 37.89 C ATOM 411 CG GLU A 45 11.935 -14.984 52.197 1.00 42.12 C ATOM 412 CD GLU A 45 11.191 -16.144 51.543 1.00 45.65 C ATOM 413 OE1 GLU A 45 10.187 -16.602 52.102 1.00 47.21 O ATOM 414 OE2 GLU A 45 11.622 -16.560 50.461 1.00 49.03 O ATOM 415 H GLU A 45 10.849 -11.965 55.175 1.00 0.00 H ATOM 416 N LEU A 46 13.641 -12.187 52.621 1.00 32.62 N ATOM 417 CA LEU A 46 13.994 -11.248 51.588 1.00 33.28 C ATOM 418 C LEU A 46 14.107 -11.961 50.244 1.00 36.60 C ATOM 419 O LEU A 46 14.803 -12.976 50.120 1.00 37.07 O ATOM 420 CB LEU A 46 15.337 -10.620 51.930 1.00 30.89 C ATOM 421 CG LEU A 46 15.364 -9.808 53.215 1.00 29.16 C ATOM 422 CD1 LEU A 46 16.740 -9.183 53.370 1.00 28.63 C ATOM 423 CD2 LEU A 46 14.259 -8.769 53.195 1.00 29.59 C ATOM 424 H LEU A 46 14.314 -12.932 52.890 1.00 0.00 H ATOM 425 N LYS A 47 13.394 -11.404 49.261 1.00 39.05 N ATOM 426 CA LYS A 47 13.375 -11.918 47.897 1.00 43.94 C ATOM 427 C LYS A 47 13.822 -10.802 46.955 1.00 42.65 C ATOM 428 O LYS A 47 12.995 -9.933 46.541 1.00 43.13 O ATOM 429 CB LYS A 47 11.988 -12.336 47.406 1.00 48.09 C ATOM 430 CG LYS A 47 11.216 -13.302 48.284 1.00 50.96 C ATOM 431 CD LYS A 47 12.062 -14.275 49.048 1.00 51.30 C ATOM 432 CE LYS A 47 13.087 -15.093 48.289 1.00 54.15 C ATOM 433 NZ LYS A 47 13.842 -15.994 49.193 1.00 52.44 N ATOM 434 HZ1 LYS A 47 14.338 -15.427 49.910 1.00 0.00 H ATOM 435 HZ2 LYS A 47 13.181 -16.646 49.661 1.00 0.00 H ATOM 436 HZ3 LYS A 47 14.534 -16.538 48.639 1.00 0.00 H ATOM 437 H LYS A 47 12.824 -10.562 49.480 1.00 0.00 H ATOM 438 N PRO A 48 15.135 -10.732 46.655 1.00 43.25 N ATOM 439 CA PRO A 48 15.608 -9.892 45.551 1.00 44.00 C ATOM 440 C PRO A 48 15.077 -10.340 44.179 1.00 46.61 C ATOM 441 O PRO A 48 14.878 -11.545 44.008 1.00 47.95 O ATOM 442 CB PRO A 48 17.139 -10.032 45.590 1.00 44.22 C ATOM 443 CG PRO A 48 17.458 -11.118 46.610 1.00 43.42 C ATOM 444 CD PRO A 48 16.228 -11.301 47.462 1.00 41.69 C ATOM 445 N THR A 49 14.820 -9.379 43.261 1.00 47.01 N ATOM 446 CA THR A 49 14.371 -9.724 41.888 1.00 52.43 C ATOM 447 C THR A 49 15.596 -9.803 40.951 1.00 54.10 C ATOM 448 O THR A 49 16.730 -9.303 41.276 1.00 53.37 O ATOM 449 CB THR A 49 13.298 -8.755 41.335 1.00 53.57 C ATOM 450 OG1 THR A 49 13.840 -7.399 41.055 1.00 54.70 O ATOM 451 CG2 THR A 49 12.103 -8.618 42.264 1.00 52.61 C ATOM 452 HG1 THR A 49 13.116 -6.821 40.705 1.00 0.00 H ATOM 453 H THR A 49 14.939 -8.379 43.522 1.00 0.00 H ATOM 454 N PRO A 50 15.472 -10.461 39.774 1.00 59.73 N ATOM 455 CA PRO A 50 16.508 -10.414 38.728 1.00 63.40 C ATOM 456 C PRO A 50 17.095 -9.034 38.186 1.00 62.72 C ATOM 457 O PRO A 50 18.311 -8.899 38.119 1.00 62.84 O ATOM 458 CB PRO A 50 15.781 -10.999 37.502 1.00 67.57 C ATOM 459 CG PRO A 50 14.766 -11.962 38.089 1.00 67.41 C ATOM 460 CD PRO A 50 14.343 -11.339 39.405 1.00 62.81 C ATOM 461 N GLU A 51 16.182 -8.015 38.244 1.00 62.30 N ATOM 462 CA GLU A 51 16.512 -6.591 37.988 1.00 63.82 C ATOM 463 C GLU A 51 17.038 -5.886 39.259 1.00 58.32 C ATOM 464 O GLU A 51 17.341 -4.712 39.187 1.00 57.46 O ATOM 465 CB GLU A 51 15.295 -5.809 37.482 1.00 71.24 C ATOM 466 CG GLU A 51 14.251 -6.634 36.731 1.00 80.45 C ATOM 467 CD GLU A 51 13.139 -7.172 37.624 1.00 83.44 C ATOM 468 OE1 GLU A 51 13.104 -6.816 38.832 1.00 88.22 O ATOM 469 OE2 GLU A 51 12.305 -7.948 37.131 1.00 88.94 O ATOM 470 H GLU A 51 15.198 -8.253 38.482 1.00 0.00 H ATOM 471 N GLY A 52 17.064 -6.553 40.419 1.00 53.02 N ATOM 472 CA GLY A 52 17.722 -6.074 41.629 1.00 49.90 C ATOM 473 C GLY A 52 16.832 -5.253 42.552 1.00 46.79 C ATOM 474 O GLY A 52 17.383 -4.571 43.401 1.00 44.77 O ATOM 475 H GLY A 52 16.583 -7.474 40.460 1.00 0.00 H ATOM 476 N ASP A 53 15.504 -5.248 42.357 1.00 47.06 N ATOM 477 CA ASP A 53 14.533 -4.791 43.368 1.00 45.72 C ATOM 478 C ASP A 53 14.503 -5.803 44.527 1.00 43.14 C ATOM 479 O ASP A 53 15.096 -6.874 44.500 1.00 43.66 O ATOM 480 CB ASP A 53 13.132 -4.564 42.781 1.00 47.51 C ATOM 481 CG ASP A 53 13.053 -3.369 41.841 1.00 50.35 C ATOM 482 OD1 ASP A 53 13.889 -2.429 42.034 1.00 48.38 O ATOM 483 OD2 ASP A 53 12.219 -3.424 40.865 1.00 52.22 O ATOM 484 H ASP A 53 15.140 -5.585 41.443 1.00 0.00 H ATOM 485 N LEU A 54 13.848 -5.437 45.621 1.00 43.08 N ATOM 486 CA LEU A 54 13.867 -6.305 46.786 1.00 43.82 C ATOM 487 C LEU A 54 12.456 -6.384 47.361 1.00 44.98 C ATOM 488 O LEU A 54 12.002 -5.423 47.986 1.00 44.58 O ATOM 489 CB LEU A 54 14.861 -5.738 47.804 1.00 42.35 C ATOM 490 CG LEU A 54 15.118 -6.602 49.033 1.00 42.27 C ATOM 491 CD1 LEU A 54 15.968 -7.805 48.661 1.00 42.27 C ATOM 492 CD2 LEU A 54 15.786 -5.755 50.111 1.00 41.87 C ATOM 493 H LEU A 54 13.326 -4.538 45.645 1.00 0.00 H ATOM 494 N GLU A 55 11.847 -7.561 47.190 1.00 46.47 N ATOM 495 CA GLU A 55 10.574 -7.957 47.781 1.00 46.57 C ATOM 496 C GLU A 55 10.813 -8.453 49.212 1.00 42.08 C ATOM 497 O GLU A 55 11.724 -9.237 49.483 1.00 41.14 O ATOM 498 CB GLU A 55 9.936 -8.981 46.835 1.00 53.15 C ATOM 499 CG GLU A 55 8.552 -9.456 47.248 1.00 60.65 C ATOM 500 CD GLU A 55 7.928 -10.506 46.330 1.00 64.27 C ATOM 501 OE1 GLU A 55 7.886 -10.282 45.100 1.00 66.87 O ATOM 502 OE2 GLU A 55 7.542 -11.567 46.852 1.00 67.41 O ATOM 503 H GLU A 55 12.323 -8.257 46.581 1.00 0.00 H ATOM 504 N ILE A 56 10.063 -7.876 50.157 1.00 38.46 N ATOM 505 CA ILE A 56 10.223 -8.162 51.566 1.00 35.55 C ATOM 506 C ILE A 56 8.918 -8.792 52.080 1.00 35.77 C ATOM 507 O ILE A 56 7.828 -8.238 51.860 1.00 37.04 O ATOM 508 CB ILE A 56 10.572 -6.879 52.341 1.00 34.44 C ATOM 509 CG1 ILE A 56 11.792 -6.153 51.759 1.00 34.96 C ATOM 510 CG2 ILE A 56 10.768 -7.226 53.802 1.00 33.21 C ATOM 511 CD1 ILE A 56 11.770 -4.664 51.951 1.00 35.49 C ATOM 512 H ILE A 56 9.334 -7.193 49.867 1.00 0.00 H ATOM 513 N LEU A 57 9.038 -9.943 52.746 1.00 34.33 N ATOM 514 CA LEU A 57 7.924 -10.544 53.460 1.00 36.65 C ATOM 515 C LEU A 57 8.175 -10.259 54.943 1.00 33.80 C ATOM 516 O LEU A 57 9.269 -10.457 55.435 1.00 30.22 O ATOM 517 CB LEU A 57 7.851 -12.054 53.214 1.00 38.80 C ATOM 518 CG LEU A 57 7.250 -12.489 51.880 1.00 43.39 C ATOM 519 CD1 LEU A 57 8.113 -12.038 50.739 1.00 45.98 C ATOM 520 CD2 LEU A 57 7.061 -14.002 51.807 1.00 46.67 C ATOM 521 H LEU A 57 9.959 -10.425 52.754 1.00 0.00 H ATOM 522 N LEU A 58 7.142 -9.803 55.642 1.00 35.39 N ATOM 523 CA LEU A 58 7.272 -9.530 57.063 1.00 35.17 C ATOM 524 C LEU A 58 5.909 -9.687 57.735 1.00 35.57 C ATOM 525 O LEU A 58 4.873 -9.774 57.080 1.00 37.49 O ATOM 526 CB LEU A 58 7.806 -8.111 57.264 1.00 34.76 C ATOM 527 CG LEU A 58 6.991 -7.025 56.565 1.00 38.86 C ATOM 528 CD1 LEU A 58 5.886 -6.485 57.454 1.00 40.81 C ATOM 529 CD2 LEU A 58 7.895 -5.893 56.105 1.00 39.92 C ATOM 530 H LEU A 58 6.231 -9.640 55.168 1.00 0.00 H ATOM 531 N GLN A 59 5.940 -9.651 59.064 1.00 34.85 N ATOM 532 CA GLN A 59 4.714 -9.658 59.845 1.00 38.15 C ATOM 533 C GLN A 59 4.579 -8.306 60.554 1.00 37.66 C ATOM 534 O GLN A 59 5.580 -7.678 60.889 1.00 33.52 O ATOM 535 CB GLN A 59 4.736 -10.770 60.893 1.00 39.53 C ATOM 536 CG GLN A 59 4.438 -12.148 60.316 1.00 43.79 C ATOM 537 CD GLN A 59 5.680 -12.627 59.612 1.00 44.20 C ATOM 538 OE1 GLN A 59 6.757 -12.559 60.194 1.00 47.00 O ATOM 539 NE2 GLN A 59 5.550 -13.080 58.369 1.00 45.77 N ATOM 540 HE22 GLN A 59 4.611 -13.116 57.924 1.00 0.00 H ATOM 541 HE21 GLN A 59 6.388 -13.399 57.841 1.00 0.00 H ATOM 542 H GLN A 59 6.857 -9.617 59.553 1.00 0.00 H ATOM 543 N LYS A 60 3.338 -7.904 60.830 1.00 41.10 N ATOM 544 CA LYS A 60 3.099 -6.683 61.583 1.00 43.87 C ATOM 545 C LYS A 60 1.798 -6.890 62.358 1.00 46.29 C ATOM 546 O LYS A 60 0.838 -7.408 61.819 1.00 49.73 O ATOM 547 CB LYS A 60 3.024 -5.474 60.641 1.00 47.36 C ATOM 548 CG LYS A 60 2.365 -4.224 61.213 1.00 50.37 C ATOM 549 CD LYS A 60 3.197 -2.962 61.093 1.00 51.61 C ATOM 550 CE LYS A 60 2.723 -1.807 61.960 1.00 55.84 C ATOM 551 NZ LYS A 60 2.431 -2.196 63.367 1.00 54.47 N ATOM 552 HZ1 LYS A 60 1.684 -2.919 63.377 1.00 0.00 H ATOM 553 HZ2 LYS A 60 3.293 -2.580 63.805 1.00 0.00 H ATOM 554 HZ3 LYS A 60 2.114 -1.360 63.898 1.00 0.00 H ATOM 555 H LYS A 60 2.530 -8.471 60.502 1.00 0.00 H ATOM 556 N TRP A 61 1.771 -6.431 63.604 1.00 46.68 N ATOM 557 CA TRP A 61 0.556 -6.483 64.371 1.00 50.87 C ATOM 558 C TRP A 61 -0.347 -5.325 63.946 1.00 55.13 C ATOM 559 O TRP A 61 0.070 -4.182 64.066 1.00 53.39 O ATOM 560 CB TRP A 61 0.882 -6.425 65.855 1.00 50.66 C ATOM 561 CG TRP A 61 -0.278 -6.775 66.733 1.00 53.86 C ATOM 562 CD1 TRP A 61 -1.203 -5.925 67.265 1.00 57.14 C ATOM 563 CD2 TRP A 61 -0.579 -8.081 67.242 1.00 54.77 C ATOM 564 NE1 TRP A 61 -2.111 -6.629 68.007 1.00 59.61 N ATOM 565 CE2 TRP A 61 -1.742 -7.950 68.031 1.00 59.43 C ATOM 566 CE3 TRP A 61 0.022 -9.334 67.110 1.00 53.48 C ATOM 567 CZ2 TRP A 61 -2.306 -9.037 68.698 1.00 61.28 C ATOM 568 CZ3 TRP A 61 -0.565 -10.412 67.735 1.00 56.83 C ATOM 569 CH2 TRP A 61 -1.704 -10.262 68.525 1.00 59.29 C ATOM 570 HE1 TRP A 61 -2.947 -6.227 68.477 1.00 0.00 H ATOM 571 H TRP A 61 2.633 -6.032 64.027 1.00 0.00 H ATOM 572 N GLU A 62 -1.531 -5.665 63.422 1.00 58.82 N ATOM 573 CA GLU A 62 -2.569 -4.752 62.985 1.00 64.53 C ATOM 574 C GLU A 62 -3.943 -5.280 63.398 1.00 66.37 C ATOM 575 O GLU A 62 -4.299 -6.407 63.059 1.00 65.08 O ATOM 576 CB GLU A 62 -2.585 -4.635 61.463 1.00 67.22 C ATOM 577 CG GLU A 62 -2.094 -3.289 60.983 1.00 68.88 C ATOM 578 CD GLU A 62 -1.627 -3.330 59.544 1.00 69.97 C ATOM 579 OE1 GLU A 62 -2.373 -3.917 58.719 1.00 74.91 O ATOM 580 OE2 GLU A 62 -0.528 -2.798 59.268 1.00 66.62 O ATOM 581 H GLU A 62 -1.725 -6.682 63.318 1.00 0.00 H ATOM 582 N ASN A 63 -4.717 -4.416 64.059 1.00 71.19 N ATOM 583 CA ASN A 63 -6.090 -4.715 64.463 1.00 76.88 C ATOM 584 C ASN A 63 -6.133 -6.003 65.293 1.00 75.14 C ATOM 585 O ASN A 63 -6.814 -6.950 64.906 1.00 75.96 O ATOM 586 CB ASN A 63 -7.026 -4.877 63.261 1.00 84.17 C ATOM 587 CG ASN A 63 -6.700 -3.948 62.110 1.00 85.66 C ATOM 588 OD1 ASN A 63 -7.039 -2.765 62.139 1.00 89.85 O ATOM 589 ND2 ASN A 63 -6.072 -4.494 61.079 1.00 85.18 N ATOM 590 HD22 ASN A 63 -5.807 -5.499 61.105 1.00 0.00 H ATOM 591 HD21 ASN A 63 -5.844 -3.917 60.244 1.00 0.00 H ATOM 592 H ASN A 63 -4.324 -3.484 64.299 1.00 0.00 H ATOM 593 N GLY A 64 -5.352 -6.051 66.380 1.00 72.50 N ATOM 594 CA GLY A 64 -5.363 -7.169 67.335 1.00 72.60 C ATOM 595 C GLY A 64 -4.960 -8.513 66.741 1.00 70.98 C ATOM 596 O GLY A 64 -5.328 -9.552 67.267 1.00 74.81 O ATOM 597 H GLY A 64 -4.705 -5.257 66.558 1.00 0.00 H ATOM 598 N GLU A 65 -4.161 -8.518 65.672 1.00 68.08 N ATOM 599 CA GLU A 65 -3.835 -9.738 64.946 1.00 66.13 C ATOM 600 C GLU A 65 -2.448 -9.564 64.327 1.00 60.35 C ATOM 601 O GLU A 65 -2.054 -8.454 64.002 1.00 57.20 O ATOM 602 CB GLU A 65 -4.895 -9.988 63.873 1.00 71.98 C ATOM 603 CG GLU A 65 -4.458 -10.897 62.736 1.00 72.66 C ATOM 604 CD GLU A 65 -5.230 -10.709 61.438 1.00 78.44 C ATOM 605 OE1 GLU A 65 -6.427 -11.093 61.400 1.00 81.35 O ATOM 606 OE2 GLU A 65 -4.621 -10.190 60.460 1.00 78.31 O ATOM 607 H GLU A 65 -3.756 -7.617 65.345 1.00 0.00 H ATOM 608 N CYS A 66 -1.758 -10.686 64.127 1.00 57.30 N ATOM 609 CA CYS A 66 -0.495 -10.713 63.471 1.00 55.03 C ATOM 610 C CYS A 66 -0.737 -10.931 61.977 1.00 55.62 C ATOM 611 O CYS A 66 -1.219 -12.001 61.622 1.00 61.13 O ATOM 612 CB CYS A 66 0.369 -11.823 64.054 1.00 53.60 C ATOM 613 SG CYS A 66 2.079 -11.742 63.470 1.00 53.40 S ATOM 614 H CYS A 66 -2.161 -11.583 64.466 1.00 0.00 H ATOM 615 N ALA A 67 -0.436 -9.912 61.159 1.00 52.12 N ATOM 616 CA ALA A 67 -0.740 -9.883 59.717 1.00 52.94 C ATOM 617 C ALA A 67 0.536 -10.055 58.892 1.00 48.87 C ATOM 618 O ALA A 67 1.579 -9.551 59.207 1.00 43.29 O ATOM 619 CB ALA A 67 -1.454 -8.605 59.338 1.00 54.82 C ATOM 620 H ALA A 67 0.044 -9.086 61.570 1.00 0.00 H ATOM 621 N GLN A 68 0.420 -10.824 57.813 1.00 52.55 N ATOM 622 CA GLN A 68 1.482 -10.990 56.844 1.00 52.95 C ATOM 623 C GLN A 68 1.528 -9.754 55.946 1.00 52.86 C ATOM 624 O GLN A 68 0.507 -9.250 55.544 1.00 54.31 O ATOM 625 CB GLN A 68 1.215 -12.202 55.952 1.00 59.80 C ATOM 626 CG GLN A 68 0.900 -13.471 56.737 1.00 63.69 C ATOM 627 CD GLN A 68 1.996 -13.715 57.740 1.00 58.96 C ATOM 628 OE1 GLN A 68 3.168 -13.503 57.440 1.00 60.41 O ATOM 629 NE2 GLN A 68 1.603 -14.131 58.934 1.00 59.77 N ATOM 630 HE22 GLN A 68 0.593 -14.292 59.122 1.00 0.00 H ATOM 631 HE21 GLN A 68 2.304 -14.297 59.684 1.00 0.00 H ATOM 632 H GLN A 68 -0.476 -11.330 57.658 1.00 0.00 H ATOM 633 N LYS A 69 2.721 -9.255 55.620 1.00 51.60 N ATOM 634 CA LYS A 69 2.774 -8.133 54.700 1.00 52.22 C ATOM 635 C LYS A 69 3.813 -8.454 53.633 1.00 48.85 C ATOM 636 O LYS A 69 4.778 -9.131 53.932 1.00 46.52 O ATOM 637 CB LYS A 69 3.120 -6.836 55.437 1.00 53.14 C ATOM 638 CG LYS A 69 2.150 -6.451 56.546 1.00 57.92 C ATOM 639 CD LYS A 69 1.567 -5.058 56.453 1.00 61.62 C ATOM 640 CE LYS A 69 0.123 -5.030 56.911 1.00 65.91 C ATOM 641 NZ LYS A 69 -0.636 -3.983 56.188 1.00 72.24 N ATOM 642 HZ1 LYS A 69 -0.206 -3.054 56.373 1.00 0.00 H ATOM 643 HZ2 LYS A 69 -0.610 -4.181 55.167 1.00 0.00 H ATOM 644 HZ3 LYS A 69 -1.622 -3.982 56.518 1.00 0.00 H ATOM 645 H LYS A 69 3.593 -9.660 56.016 1.00 0.00 H ATOM 646 N LYS A 70 3.585 -7.948 52.420 1.00 51.26 N ATOM 647 CA LYS A 70 4.551 -8.007 51.331 1.00 51.95 C ATOM 648 C LYS A 70 4.781 -6.571 50.845 1.00 50.24 C ATOM 649 O LYS A 70 3.821 -5.918 50.462 1.00 53.11 O ATOM 650 CB LYS A 70 4.040 -8.948 50.235 1.00 57.67 C ATOM 651 CG LYS A 70 5.075 -9.466 49.239 1.00 58.71 C ATOM 652 CD LYS A 70 4.477 -10.190 48.032 1.00 64.58 C ATOM 653 CE LYS A 70 3.572 -11.355 48.396 1.00 69.22 C ATOM 654 NZ LYS A 70 3.048 -12.047 47.195 1.00 74.58 N ATOM 655 HZ1 LYS A 70 2.499 -11.375 46.621 1.00 0.00 H ATOM 656 HZ2 LYS A 70 3.843 -12.415 46.634 1.00 0.00 H ATOM 657 HZ3 LYS A 70 2.436 -12.834 47.490 1.00 0.00 H ATOM 658 H LYS A 70 2.670 -7.487 52.242 1.00 0.00 H ATOM 659 N ILE A 71 6.045 -6.130 50.889 1.00 48.08 N ATOM 660 CA ILE A 71 6.568 -4.793 50.547 1.00 50.25 C ATOM 661 C ILE A 71 7.566 -4.905 49.374 1.00 48.64 C ATOM 662 O ILE A 71 8.359 -5.843 49.265 1.00 45.10 O ATOM 663 CB ILE A 71 7.251 -4.155 51.779 1.00 51.40 C ATOM 664 CG1 ILE A 71 6.319 -3.985 52.981 1.00 54.89 C ATOM 665 CG2 ILE A 71 7.864 -2.816 51.411 1.00 55.66 C ATOM 666 CD1 ILE A 71 4.991 -3.343 52.654 1.00 58.19 C ATOM 667 H ILE A 71 6.753 -6.823 51.207 1.00 0.00 H ATOM 668 N ILE A 72 7.582 -3.913 48.481 1.00 49.57 N ATOM 669 CA ILE A 72 8.603 -3.876 47.433 1.00 49.80 C ATOM 670 C ILE A 72 9.474 -2.631 47.643 1.00 46.56 C ATOM 671 O ILE A 72 8.963 -1.507 47.804 1.00 46.52 O ATOM 672 CB ILE A 72 7.979 -3.906 46.030 1.00 55.56 C ATOM 673 CG1 ILE A 72 7.103 -5.145 45.826 1.00 60.68 C ATOM 674 CG2 ILE A 72 9.056 -3.803 44.966 1.00 54.45 C ATOM 675 CD1 ILE A 72 7.868 -6.409 45.484 1.00 61.95 C ATOM 676 H ILE A 72 6.865 -3.162 48.530 1.00 0.00 H ATOM 677 N ALA A 73 10.775 -2.881 47.817 1.00 41.51 N ATOM 678 CA ALA A 73 11.788 -1.864 47.908 1.00 39.24 C ATOM 679 C ALA A 73 12.520 -1.805 46.564 1.00 40.39 C ATOM 680 O ALA A 73 13.184 -2.756 46.160 1.00 40.33 O ATOM 681 CB ALA A 73 12.734 -2.188 49.037 1.00 37.02 C ATOM 682 H ALA A 73 11.074 -3.874 47.891 1.00 0.00 H ATOM 683 N GLU A 74 12.317 -0.714 45.840 1.00 40.90 N ATOM 684 CA GLU A 74 12.921 -0.523 44.543 1.00 44.16 C ATOM 685 C GLU A 74 14.376 -0.038 44.636 1.00 41.52 C ATOM 686 O GLU A 74 14.741 0.828 45.450 1.00 38.13 O ATOM 687 CB GLU A 74 12.085 0.484 43.769 1.00 48.75 C ATOM 688 CG GLU A 74 10.683 -0.029 43.534 1.00 54.49 C ATOM 689 CD GLU A 74 9.850 1.061 42.898 1.00 60.80 C ATOM 690 OE1 GLU A 74 9.371 1.919 43.662 1.00 66.54 O ATOM 691 OE2 GLU A 74 9.781 1.109 41.660 1.00 65.15 O ATOM 692 H GLU A 74 11.700 0.032 46.220 1.00 0.00 H ATOM 693 N LYS A 75 15.204 -0.556 43.729 1.00 42.23 N ATOM 694 CA LYS A 75 16.615 -0.207 43.726 1.00 42.42 C ATOM 695 C LYS A 75 16.791 1.276 43.370 1.00 42.91 C ATOM 696 O LYS A 75 15.958 1.905 42.667 1.00 43.91 O ATOM 697 CB LYS A 75 17.424 -1.101 42.785 1.00 44.52 C ATOM 698 CG LYS A 75 17.217 -0.845 41.311 1.00 49.66 C ATOM 699 CD LYS A 75 18.022 -1.808 40.457 1.00 52.95 C ATOM 700 CE LYS A 75 17.662 -1.762 38.981 1.00 58.25 C ATOM 701 NZ LYS A 75 17.375 -0.393 38.496 1.00 62.10 N ATOM 702 HZ1 LYS A 75 16.574 0.001 39.029 1.00 0.00 H ATOM 703 HZ2 LYS A 75 18.214 0.206 38.635 1.00 0.00 H ATOM 704 HZ3 LYS A 75 17.137 -0.428 37.484 1.00 0.00 H ATOM 705 H LYS A 75 14.836 -1.217 43.015 1.00 0.00 H ATOM 706 N THR A 76 17.919 1.812 43.854 1.00 41.10 N ATOM 707 CA THR A 76 18.402 3.135 43.378 1.00 43.14 C ATOM 708 C THR A 76 19.735 2.963 42.603 1.00 44.31 C ATOM 709 O THR A 76 20.274 1.825 42.419 1.00 43.13 O ATOM 710 CB THR A 76 18.474 4.099 44.572 1.00 41.35 C ATOM 711 OG1 THR A 76 19.499 3.628 45.450 1.00 39.26 O ATOM 712 CG2 THR A 76 17.164 4.146 45.329 1.00 41.53 C ATOM 713 HG1 THR A 76 19.274 2.714 45.758 1.00 0.00 H ATOM 714 H THR A 76 18.465 1.295 44.573 1.00 0.00 H ATOM 715 N LYS A 77 20.387 4.116 42.326 1.00 46.24 N ATOM 716 CA LYS A 77 21.735 4.066 41.769 1.00 49.64 C ATOM 717 C LYS A 77 22.820 3.661 42.780 1.00 46.80 C ATOM 718 O LYS A 77 23.925 3.261 42.396 1.00 47.87 O ATOM 719 CB LYS A 77 22.069 5.404 41.122 1.00 54.02 C ATOM 720 CG LYS A 77 21.743 5.385 39.638 1.00 60.88 C ATOM 721 CD LYS A 77 20.585 6.272 39.230 1.00 66.32 C ATOM 722 CE LYS A 77 20.846 7.748 39.471 1.00 68.68 C ATOM 723 NZ LYS A 77 20.090 8.611 38.531 1.00 72.34 N ATOM 724 HZ1 LYS A 77 20.371 8.388 37.555 1.00 0.00 H ATOM 725 HZ2 LYS A 77 19.071 8.439 38.648 1.00 0.00 H ATOM 726 HZ3 LYS A 77 20.300 9.609 38.734 1.00 0.00 H ATOM 727 H LYS A 77 19.930 5.032 42.509 1.00 0.00 H ATOM 728 N ILE A 78 22.489 3.700 44.064 1.00 43.04 N ATOM 729 CA ILE A 78 23.366 3.190 45.095 1.00 41.59 C ATOM 730 C ILE A 78 22.942 1.769 45.409 1.00 39.86 C ATOM 731 O ILE A 78 21.843 1.540 45.933 1.00 39.23 O ATOM 732 CB ILE A 78 23.301 4.060 46.365 1.00 40.86 C ATOM 733 CG1 ILE A 78 23.493 5.545 46.064 1.00 45.68 C ATOM 734 CG2 ILE A 78 24.255 3.528 47.442 1.00 39.60 C ATOM 735 CD1 ILE A 78 23.005 6.410 47.222 1.00 46.43 C ATOM 736 H ILE A 78 21.573 4.109 44.337 1.00 0.00 H ATOM 737 N PRO A 79 23.868 0.800 45.269 1.00 40.71 N ATOM 738 CA PRO A 79 23.526 -0.593 45.565 1.00 39.22 C ATOM 739 C PRO A 79 22.965 -0.855 46.972 1.00 35.93 C ATOM 740 O PRO A 79 22.138 -1.751 47.217 1.00 33.68 O ATOM 741 CB PRO A 79 24.890 -1.270 45.402 1.00 40.96 C ATOM 742 CG PRO A 79 25.595 -0.447 44.371 1.00 43.74 C ATOM 743 CD PRO A 79 25.239 0.975 44.758 1.00 43.26 C ATOM 744 N ALA A 80 23.371 -0.028 47.936 1.00 34.92 N ATOM 745 CA ALA A 80 22.999 -0.319 49.321 1.00 33.36 C ATOM 746 C ALA A 80 21.694 0.384 49.734 1.00 31.55 C ATOM 747 O ALA A 80 21.318 0.235 50.873 1.00 29.82 O ATOM 748 CB ALA A 80 24.165 0.087 50.203 1.00 34.68 C ATOM 749 H ALA A 80 23.943 0.810 47.707 1.00 0.00 H ATOM 750 N VAL A 81 21.051 1.164 48.852 1.00 32.13 N ATOM 751 CA VAL A 81 19.905 2.010 49.173 1.00 32.11 C ATOM 752 C VAL A 81 18.721 1.684 48.252 1.00 32.83 C ATOM 753 O VAL A 81 18.866 1.669 47.014 1.00 35.52 O ATOM 754 CB VAL A 81 20.294 3.486 49.080 1.00 34.15 C ATOM 755 CG1 VAL A 81 19.118 4.429 49.346 1.00 35.30 C ATOM 756 CG2 VAL A 81 21.434 3.776 50.046 1.00 34.11 C ATOM 757 H VAL A 81 21.393 1.166 47.870 1.00 0.00 H ATOM 758 N PHE A 82 17.560 1.457 48.868 1.00 31.11 N ATOM 759 CA PHE A 82 16.321 1.089 48.205 1.00 33.35 C ATOM 760 C PHE A 82 15.241 2.075 48.658 1.00 36.88 C ATOM 761 O PHE A 82 15.389 2.730 49.691 1.00 36.71 O ATOM 762 CB PHE A 82 15.930 -0.348 48.535 1.00 32.43 C ATOM 763 CG PHE A 82 16.929 -1.371 48.081 1.00 31.77 C ATOM 764 CD1 PHE A 82 18.101 -1.573 48.786 1.00 31.86 C ATOM 765 CD2 PHE A 82 16.755 -2.033 46.884 1.00 35.13 C ATOM 766 CE1 PHE A 82 19.075 -2.421 48.283 1.00 33.31 C ATOM 767 CE2 PHE A 82 17.718 -2.909 46.406 1.00 35.30 C ATOM 768 CZ PHE A 82 18.867 -3.117 47.118 1.00 33.44 C ATOM 769 H PHE A 82 17.540 1.551 49.904 1.00 0.00 H ATOM 770 N LYS A 83 14.176 2.206 47.874 1.00 39.49 N ATOM 771 CA LYS A 83 13.129 3.136 48.164 1.00 44.50 C ATOM 772 C LYS A 83 11.833 2.321 48.247 1.00 45.40 C ATOM 773 O LYS A 83 11.534 1.571 47.319 1.00 43.42 O ATOM 774 CB LYS A 83 13.060 4.242 47.109 1.00 52.67 C ATOM 775 CG LYS A 83 12.074 5.352 47.443 1.00 61.59 C ATOM 776 CD LYS A 83 11.489 6.045 46.217 1.00 72.48 C ATOM 777 CE LYS A 83 10.054 6.515 46.387 1.00 79.99 C ATOM 778 NZ LYS A 83 9.884 7.929 45.949 1.00 87.02 N ATOM 779 HZ1 LYS A 83 10.501 8.543 46.518 1.00 0.00 H ATOM 780 HZ2 LYS A 83 10.141 8.013 44.945 1.00 0.00 H ATOM 781 HZ3 LYS A 83 8.892 8.214 46.080 1.00 0.00 H ATOM 782 H LYS A 83 14.102 1.613 47.023 1.00 0.00 H ATOM 783 N ILE A 84 11.101 2.479 49.354 1.00 45.90 N ATOM 784 CA ILE A 84 9.771 1.897 49.534 1.00 52.63 C ATOM 785 C ILE A 84 8.779 2.906 48.954 1.00 58.64 C ATOM 786 O ILE A 84 8.915 4.101 49.208 1.00 63.12 O ATOM 787 CB ILE A 84 9.474 1.601 51.020 1.00 49.96 C ATOM 788 CG1 ILE A 84 10.417 0.550 51.597 1.00 50.50 C ATOM 789 CG2 ILE A 84 8.033 1.186 51.255 1.00 51.86 C ATOM 790 CD1 ILE A 84 10.523 -0.639 50.719 1.00 52.35 C ATOM 791 H ILE A 84 11.499 3.047 50.130 1.00 0.00 H ATOM 792 N ASP A 85 7.813 2.430 48.166 1.00 69.04 N ATOM 793 CA ASP A 85 6.753 3.307 47.640 1.00 77.57 C ATOM 794 C ASP A 85 5.617 3.457 48.670 1.00 80.10 C ATOM 795 O ASP A 85 4.929 2.481 49.030 1.00 79.60 O ATOM 796 CB ASP A 85 6.221 2.808 46.295 1.00 82.57 C ATOM 797 CG ASP A 85 5.401 3.875 45.591 1.00 88.72 C ATOM 798 OD1 ASP A 85 6.013 4.847 45.104 1.00 90.94 O ATOM 799 OD2 ASP A 85 4.156 3.756 45.584 1.00 93.87 O ATOM 800 H ASP A 85 7.809 1.420 47.918 1.00 0.00 H ATOM 801 N ALA A 86 5.426 4.695 49.148 1.00 80.09 N ATOM 802 CA ALA A 86 4.378 5.055 50.097 1.00 84.89 C ATOM 803 C ALA A 86 4.211 6.575 50.062 1.00 91.90 C ATOM 804 O ALA A 86 4.971 7.267 49.380 1.00 96.83 O ATOM 805 CB ALA A 86 4.725 4.565 51.483 1.00 83.58 C ATOM 806 H ALA A 86 6.066 5.447 48.821 1.00 0.00 H ATOM 807 N LEU A 87 3.196 7.074 50.771 1.00 99.72 N ATOM 808 CA LEU A 87 2.844 8.491 50.749 1.00107.93 C ATOM 809 C LEU A 87 4.103 9.342 50.954 1.00108.68 C ATOM 810 O LEU A 87 4.402 10.262 50.190 1.00105.30 O ATOM 811 CB LEU A 87 1.825 8.747 51.863 1.00112.16 C ATOM 812 CG LEU A 87 1.261 10.165 51.933 1.00120.23 C ATOM 813 CD1 LEU A 87 1.062 10.760 50.547 1.00125.45 C ATOM 814 CD2 LEU A 87 -0.059 10.131 52.674 1.00126.19 C ATOM 815 H LEU A 87 2.634 6.429 51.362 1.00 0.00 H ATOM 816 N ASN A 88 4.831 8.988 52.016 1.00109.83 N ATOM 817 CA ASN A 88 6.151 9.512 52.328 1.00107.99 C ATOM 818 C ASN A 88 7.176 8.523 51.752 1.00102.44 C ATOM 819 O ASN A 88 7.039 7.301 51.938 1.00 96.43 O ATOM 820 CB ASN A 88 6.294 9.786 53.831 1.00106.35 C ATOM 821 CG ASN A 88 6.131 8.566 54.720 1.00112.52 C ATOM 822 OD1 ASN A 88 6.930 8.346 55.630 1.00107.86 O ATOM 823 ND2 ASN A 88 5.082 7.783 54.515 1.00107.63 N ATOM 824 HD22 ASN A 88 4.422 7.991 53.739 1.00 0.00 H ATOM 825 HD21 ASN A 88 4.919 6.960 55.130 1.00 0.00 H ATOM 826 H ASN A 88 4.424 8.287 52.667 1.00 0.00 H ATOM 827 N GLU A 89 8.164 9.046 51.013 1.00 97.86 N ATOM 828 CA GLU A 89 9.173 8.213 50.351 1.00 93.88 C ATOM 829 C GLU A 89 10.207 7.725 51.376 1.00 82.97 C ATOM 830 O GLU A 89 10.941 8.521 51.962 1.00 84.20 O ATOM 831 CB GLU A 89 9.857 8.991 49.228 1.00 99.49 C ATOM 832 CG GLU A 89 10.848 10.037 49.705 1.00105.48 C ATOM 833 CD GLU A 89 11.244 11.071 48.663 1.00113.32 C ATOM 834 OE1 GLU A 89 11.134 10.768 47.453 1.00117.52 O ATOM 835 OE2 GLU A 89 11.664 12.182 49.071 1.00118.67 O ATOM 836 H GLU A 89 8.217 10.079 50.905 1.00 0.00 H ATOM 837 N ASN A 90 10.268 6.409 51.592 1.00 69.48 N ATOM 838 CA ASN A 90 11.070 5.881 52.688 1.00 66.03 C ATOM 839 C ASN A 90 12.250 5.092 52.117 1.00 57.10 C ATOM 840 O ASN A 90 12.032 4.178 51.335 1.00 56.50 O ATOM 841 CB ASN A 90 10.267 5.009 53.658 1.00 65.70 C ATOM 842 CG ASN A 90 9.496 5.812 54.686 1.00 69.99 C ATOM 843 OD1 ASN A 90 8.847 6.810 54.360 1.00 71.72 O ATOM 844 ND2 ASN A 90 9.551 5.370 55.931 1.00 66.56 N ATOM 845 HD22 ASN A 90 10.112 4.524 56.158 1.00 0.00 H ATOM 846 HD21 ASN A 90 9.034 5.868 56.683 1.00 0.00 H ATOM 847 H ASN A 90 9.741 5.758 50.976 1.00 0.00 H ATOM 848 N LYS A 91 13.467 5.473 52.525 1.00 50.44 N ATOM 849 CA LYS A 91 14.696 4.836 52.085 1.00 46.92 C ATOM 850 C LYS A 91 15.083 3.707 53.047 1.00 40.57 C ATOM 851 O LYS A 91 15.058 3.843 54.278 1.00 36.13 O ATOM 852 CB LYS A 91 15.803 5.882 51.916 1.00 51.32 C ATOM 853 CG LYS A 91 15.564 6.845 50.760 1.00 62.06 C ATOM 854 CD LYS A 91 16.795 7.558 50.217 1.00 67.87 C ATOM 855 CE LYS A 91 17.572 8.330 51.264 1.00 72.08 C ATOM 856 NZ LYS A 91 18.641 7.491 51.859 1.00 71.28 N ATOM 857 HZ1 LYS A 91 18.215 6.655 52.308 1.00 0.00 H ATOM 858 HZ2 LYS A 91 19.298 7.187 51.112 1.00 0.00 H ATOM 859 HZ3 LYS A 91 19.157 8.044 52.573 1.00 0.00 H ATOM 860 H LYS A 91 13.536 6.267 53.193 1.00 0.00 H ATOM 861 N VAL A 92 15.467 2.575 52.458 1.00 34.32 N ATOM 862 CA VAL A 92 16.063 1.492 53.177 1.00 31.83 C ATOM 863 C VAL A 92 17.548 1.457 52.813 1.00 32.25 C ATOM 864 O VAL A 92 17.913 1.567 51.621 1.00 33.08 O ATOM 865 CB VAL A 92 15.358 0.162 52.858 1.00 33.37 C ATOM 866 CG1 VAL A 92 16.087 -1.033 53.424 1.00 31.41 C ATOM 867 CG2 VAL A 92 13.926 0.180 53.359 1.00 34.92 C ATOM 868 H VAL A 92 15.327 2.475 51.432 1.00 0.00 H ATOM 869 N LEU A 93 18.402 1.441 53.837 1.00 29.53 N ATOM 870 CA LEU A 93 19.836 1.428 53.644 1.00 29.28 C ATOM 871 C LEU A 93 20.352 0.149 54.278 1.00 27.44 C ATOM 872 O LEU A 93 20.050 -0.115 55.453 1.00 25.08 O ATOM 873 CB LEU A 93 20.489 2.615 54.360 1.00 32.39 C ATOM 874 CG LEU A 93 20.025 3.993 53.922 1.00 37.44 C ATOM 875 CD1 LEU A 93 18.830 4.441 54.756 1.00 39.67 C ATOM 876 CD2 LEU A 93 21.163 4.992 54.007 1.00 39.72 C ATOM 877 H LEU A 93 18.025 1.438 54.806 1.00 0.00 H ATOM 878 N VAL A 94 21.188 -0.586 53.551 1.00 26.38 N ATOM 879 CA VAL A 94 21.899 -1.704 54.119 1.00 25.25 C ATOM 880 C VAL A 94 23.241 -1.190 54.645 1.00 26.94 C ATOM 881 O VAL A 94 24.100 -0.747 53.847 1.00 27.87 O ATOM 882 CB VAL A 94 22.096 -2.817 53.081 1.00 27.58 C ATOM 883 CG1 VAL A 94 22.886 -3.985 53.656 1.00 28.54 C ATOM 884 CG2 VAL A 94 20.738 -3.280 52.561 1.00 27.45 C ATOM 885 H VAL A 94 21.332 -0.349 52.549 1.00 0.00 H ATOM 886 N LEU A 95 23.440 -1.336 55.960 1.00 25.95 N ATOM 887 CA LEU A 95 24.615 -0.773 56.624 1.00 28.73 C ATOM 888 C LEU A 95 25.790 -1.747 56.492 1.00 29.55 C ATOM 889 O LEU A 95 26.944 -1.352 56.266 1.00 28.71 O ATOM 890 CB LEU A 95 24.347 -0.537 58.109 1.00 28.96 C ATOM 891 CG LEU A 95 23.759 0.821 58.483 1.00 31.44 C ATOM 892 CD1 LEU A 95 22.402 0.988 57.865 1.00 33.51 C ATOM 893 CD2 LEU A 95 23.612 0.956 59.976 1.00 32.08 C ATOM 894 H LEU A 95 22.742 -1.863 56.523 1.00 0.00 H ATOM 895 N ASP A 96 25.474 -3.029 56.697 1.00 28.51 N ATOM 896 CA ASP A 96 26.505 -4.021 56.854 1.00 30.99 C ATOM 897 C ASP A 96 25.834 -5.387 56.806 1.00 29.20 C ATOM 898 O ASP A 96 24.752 -5.555 57.308 1.00 27.46 O ATOM 899 CB ASP A 96 27.300 -3.807 58.146 1.00 34.25 C ATOM 900 CG ASP A 96 28.493 -4.745 58.266 1.00 36.77 C ATOM 901 OD1 ASP A 96 29.052 -5.136 57.223 1.00 38.83 O ATOM 902 OD2 ASP A 96 28.862 -5.062 59.396 1.00 36.17 O ATOM 903 H ASP A 96 24.474 -3.312 56.744 1.00 0.00 H ATOM 904 N THR A 97 26.426 -6.330 56.075 1.00 32.27 N ATOM 905 CA THR A 97 25.970 -7.722 56.135 1.00 30.97 C ATOM 906 C THR A 97 27.145 -8.642 55.815 1.00 33.53 C ATOM 907 O THR A 97 28.066 -8.250 55.105 1.00 34.14 O ATOM 908 CB THR A 97 24.870 -8.008 55.116 1.00 31.08 C ATOM 909 OG1 THR A 97 24.490 -9.370 55.316 1.00 30.09 O ATOM 910 CG2 THR A 97 25.327 -7.813 53.682 1.00 32.60 C ATOM 911 HG1 THR A 97 24.159 -9.487 56.242 1.00 0.00 H ATOM 912 H THR A 97 27.221 -6.076 55.454 1.00 0.00 H ATOM 913 N ASP A 98 27.098 -9.867 56.348 1.00 33.23 N ATOM 914 CA ASP A 98 28.040 -10.889 55.920 1.00 35.01 C ATOM 915 C ASP A 98 27.270 -11.986 55.166 1.00 33.93 C ATOM 916 O ASP A 98 27.876 -13.012 54.890 1.00 34.46 O ATOM 917 CB ASP A 98 28.879 -11.389 57.100 1.00 35.97 C ATOM 918 CG ASP A 98 28.069 -12.283 58.022 1.00 34.77 C ATOM 919 OD1 ASP A 98 26.858 -12.387 57.823 1.00 32.30 O ATOM 920 OD2 ASP A 98 28.665 -12.895 58.890 1.00 36.48 O ATOM 921 H ASP A 98 26.385 -10.090 57.072 1.00 0.00 H ATOM 922 N TYR A 99 25.973 -11.774 54.881 1.00 31.38 N ATOM 923 CA TYR A 99 25.128 -12.624 54.020 1.00 33.54 C ATOM 924 C TYR A 99 24.726 -13.936 54.715 1.00 34.24 C ATOM 925 O TYR A 99 23.555 -14.340 54.568 1.00 33.01 O ATOM 926 CB TYR A 99 25.830 -13.020 52.719 1.00 36.32 C ATOM 927 CG TYR A 99 26.243 -11.820 51.907 1.00 35.96 C ATOM 928 CD1 TYR A 99 25.261 -10.962 51.444 1.00 35.61 C ATOM 929 CD2 TYR A 99 27.568 -11.497 51.655 1.00 37.45 C ATOM 930 CE1 TYR A 99 25.580 -9.831 50.710 1.00 35.12 C ATOM 931 CE2 TYR A 99 27.910 -10.361 50.931 1.00 37.49 C ATOM 932 CZ TYR A 99 26.906 -9.524 50.464 1.00 36.97 C ATOM 933 OH TYR A 99 27.114 -8.388 49.733 1.00 36.89 O ATOM 934 HH TYR A 99 26.242 -7.969 49.522 1.00 0.00 H ATOM 935 H TYR A 99 25.526 -10.936 55.305 1.00 0.00 H ATOM 936 N LYS A 100 25.697 -14.552 55.409 1.00 35.99 N ATOM 937 CA LYS A 100 25.609 -15.842 56.080 1.00 40.60 C ATOM 938 C LYS A 100 25.141 -15.774 57.533 1.00 39.08 C ATOM 939 O LYS A 100 24.665 -16.814 57.945 1.00 37.76 O ATOM 940 CB LYS A 100 26.973 -16.542 56.077 1.00 47.68 C ATOM 941 CG LYS A 100 27.501 -16.855 54.676 1.00 54.47 C ATOM 942 CD LYS A 100 26.432 -17.329 53.681 1.00 59.82 C ATOM 943 CE LYS A 100 26.987 -17.760 52.331 1.00 68.63 C ATOM 944 NZ LYS A 100 26.122 -18.739 51.614 1.00 70.07 N ATOM 945 HZ1 LYS A 100 26.016 -19.596 52.194 1.00 0.00 H ATOM 946 HZ2 LYS A 100 25.187 -18.315 51.445 1.00 0.00 H ATOM 947 HZ3 LYS A 100 26.561 -18.987 50.705 1.00 0.00 H ATOM 948 H LYS A 100 26.608 -14.055 55.474 1.00 0.00 H ATOM 949 N LYS A 101 25.262 -14.639 58.260 1.00 36.30 N ATOM 950 CA LYS A 101 24.938 -14.567 59.682 1.00 37.16 C ATOM 951 C LYS A 101 24.034 -13.361 59.988 1.00 34.33 C ATOM 952 O LYS A 101 22.973 -13.545 60.576 1.00 29.96 O ATOM 953 CB LYS A 101 26.189 -14.524 60.569 1.00 41.33 C ATOM 954 CG LYS A 101 27.040 -15.784 60.571 1.00 48.70 C ATOM 955 CD LYS A 101 27.816 -16.032 61.854 1.00 54.62 C ATOM 956 CE LYS A 101 28.960 -17.007 61.624 1.00 64.72 C ATOM 957 NZ LYS A 101 29.306 -17.829 62.813 1.00 67.04 N ATOM 958 HZ1 LYS A 101 29.589 -17.204 63.595 1.00 0.00 H ATOM 959 HZ2 LYS A 101 28.478 -18.390 63.098 1.00 0.00 H ATOM 960 HZ3 LYS A 101 30.093 -18.466 62.575 1.00 0.00 H ATOM 961 H LYS A 101 25.601 -13.779 57.784 1.00 0.00 H ATOM 962 N TYR A 102 24.450 -12.143 59.615 1.00 29.81 N ATOM 963 CA TYR A 102 23.740 -10.970 60.029 1.00 27.09 C ATOM 964 C TYR A 102 23.580 -9.969 58.877 1.00 26.46 C ATOM 965 O TYR A 102 24.351 -9.923 57.909 1.00 28.17 O ATOM 966 CB TYR A 102 24.486 -10.386 61.230 1.00 26.99 C ATOM 967 CG TYR A 102 25.726 -9.631 60.860 1.00 28.67 C ATOM 968 CD1 TYR A 102 26.933 -10.294 60.772 1.00 31.46 C ATOM 969 CD2 TYR A 102 25.690 -8.274 60.552 1.00 28.71 C ATOM 970 CE1 TYR A 102 28.086 -9.644 60.362 1.00 33.73 C ATOM 971 CE2 TYR A 102 26.831 -7.617 60.127 1.00 30.33 C ATOM 972 CZ TYR A 102 28.034 -8.297 60.041 1.00 33.22 C ATOM 973 OH TYR A 102 29.198 -7.683 59.660 1.00 35.32 O ATOM 974 HH TYR A 102 29.406 -6.951 60.293 1.00 0.00 H ATOM 975 H TYR A 102 25.297 -12.048 59.019 1.00 0.00 H ATOM 976 N LEU A 103 22.560 -9.127 58.986 1.00 25.73 N ATOM 977 CA LEU A 103 22.436 -7.942 58.139 1.00 25.64 C ATOM 978 C LEU A 103 21.896 -6.800 58.996 1.00 24.57 C ATOM 979 O LEU A 103 20.905 -6.991 59.703 1.00 24.38 O ATOM 980 CB LEU A 103 21.472 -8.222 56.986 1.00 25.62 C ATOM 981 CG LEU A 103 21.299 -7.115 55.948 1.00 26.59 C ATOM 982 CD1 LEU A 103 20.926 -7.728 54.589 1.00 29.98 C ATOM 983 CD2 LEU A 103 20.192 -6.158 56.346 1.00 26.66 C ATOM 984 H LEU A 103 21.825 -9.316 59.697 1.00 0.00 H ATOM 985 N LEU A 104 22.525 -5.623 58.902 1.00 23.82 N ATOM 986 CA LEU A 104 22.025 -4.432 59.575 1.00 23.21 C ATOM 987 C LEU A 104 21.412 -3.526 58.520 1.00 23.97 C ATOM 988 O LEU A 104 22.097 -3.257 57.541 1.00 25.21 O ATOM 989 CB LEU A 104 23.170 -3.685 60.269 1.00 24.57 C ATOM 990 CG LEU A 104 24.099 -4.537 61.118 1.00 24.83 C ATOM 991 CD1 LEU A 104 25.251 -3.717 61.658 1.00 27.77 C ATOM 992 CD2 LEU A 104 23.350 -5.245 62.233 1.00 25.54 C ATOM 993 H LEU A 104 23.393 -5.557 58.334 1.00 0.00 H ATOM 994 N PHE A 105 20.223 -2.985 58.803 1.00 23.07 N ATOM 995 CA PHE A 105 19.609 -2.035 57.914 1.00 24.47 C ATOM 996 C PHE A 105 18.894 -0.975 58.740 1.00 24.49 C ATOM 997 O PHE A 105 18.560 -1.245 59.885 1.00 24.68 O ATOM 998 CB PHE A 105 18.627 -2.734 56.963 1.00 24.78 C ATOM 999 CG PHE A 105 17.287 -3.034 57.581 1.00 23.20 C ATOM 1000 CD1 PHE A 105 16.282 -2.089 57.561 1.00 23.25 C ATOM 1001 CD2 PHE A 105 17.025 -4.269 58.151 1.00 22.97 C ATOM 1002 CE1 PHE A 105 15.035 -2.396 58.075 1.00 25.19 C ATOM 1003 CE2 PHE A 105 15.783 -4.577 58.677 1.00 21.21 C ATOM 1004 CZ PHE A 105 14.793 -3.632 58.636 1.00 23.30 C ATOM 1005 H PHE A 105 19.734 -3.255 59.680 1.00 0.00 H ATOM 1006 N CYS A 106 18.671 0.185 58.113 1.00 25.26 N ATOM 1007 CA CYS A 106 17.899 1.293 58.657 1.00 27.10 C ATOM 1008 C CYS A 106 16.871 1.746 57.626 1.00 28.79 C ATOM 1009 O CYS A 106 17.083 1.621 56.420 1.00 29.73 O ATOM 1010 CB CYS A 106 18.786 2.470 59.025 1.00 29.47 C ATOM 1011 SG CYS A 106 19.977 2.120 60.351 1.00 33.06 S ATOM 1012 H CYS A 106 19.080 0.305 57.164 1.00 0.00 H ATOM 1013 N MET A 107 15.743 2.256 58.101 1.00 29.69 N ATOM 1014 CA MET A 107 14.776 2.872 57.233 1.00 33.82 C ATOM 1015 C MET A 107 14.626 4.295 57.749 1.00 34.04 C ATOM 1016 O MET A 107 14.483 4.474 58.967 1.00 29.80 O ATOM 1017 CB MET A 107 13.400 2.202 57.269 1.00 37.63 C ATOM 1018 CG MET A 107 13.413 0.824 57.845 1.00 43.47 C ATOM 1019 SD MET A 107 11.804 0.023 58.199 1.00 53.10 S ATOM 1020 CE MET A 107 12.108 -0.724 59.802 1.00 50.00 C ATOM 1021 H MET A 107 15.554 2.210 59.123 1.00 0.00 H ATOM 1022 N GLU A 108 14.617 5.268 56.847 1.00 37.18 N ATOM 1023 CA GLU A 108 14.459 6.619 57.283 1.00 44.20 C ATOM 1024 C GLU A 108 13.442 7.259 56.360 1.00 49.08 C ATOM 1025 O GLU A 108 13.330 6.809 55.235 1.00 46.87 O ATOM 1026 CB GLU A 108 15.781 7.384 57.352 1.00 49.86 C ATOM 1027 CG GLU A 108 16.437 7.802 56.058 1.00 54.41 C ATOM 1028 CD GLU A 108 17.838 8.381 56.249 1.00 61.92 C ATOM 1029 OE1 GLU A 108 18.616 7.805 57.060 1.00 58.18 O ATOM 1030 OE2 GLU A 108 18.183 9.364 55.541 1.00 63.78 O ATOM 1031 H GLU A 108 14.724 5.050 55.836 1.00 0.00 H ATOM 1032 N ASN A 109 12.668 8.186 56.925 1.00 58.18 N ATOM 1033 CA ASN A 109 11.833 9.092 56.161 1.00 70.61 C ATOM 1034 C ASN A 109 12.718 10.155 55.499 1.00 77.56 C ATOM 1035 O ASN A 109 13.564 10.773 56.156 1.00 76.01 O ATOM 1036 CB ASN A 109 10.771 9.748 57.041 1.00 76.51 C ATOM 1037 CG ASN A 109 9.836 10.574 56.192 1.00 82.35 C ATOM 1038 OD1 ASN A 109 9.738 11.783 56.370 1.00 85.41 O ATOM 1039 ND2 ASN A 109 9.234 9.936 55.204 1.00 87.54 N ATOM 1040 HD22 ASN A 109 9.352 8.908 55.100 1.00 0.00 H ATOM 1041 HD21 ASN A 109 8.642 10.462 54.530 1.00 0.00 H ATOM 1042 H ASN A 109 12.663 8.263 57.962 1.00 0.00 H ATOM 1043 N SER A 110 12.507 10.360 54.194 1.00 90.01 N ATOM 1044 CA SER A 110 13.332 11.268 53.398 1.00 99.16 C ATOM 1045 C SER A 110 13.396 12.643 54.084 1.00106.07 C ATOM 1046 O SER A 110 14.454 13.077 54.538 1.00112.45 O ATOM 1047 CB SER A 110 12.834 11.337 51.968 1.00100.21 C ATOM 1048 OG SER A 110 13.753 12.011 51.118 1.00 98.00 O ATOM 1049 HG SER A 110 13.392 12.035 50.196 1.00 0.00 H ATOM 1050 H SER A 110 11.727 9.855 53.728 1.00 0.00 H ATOM 1051 N ALA A 111 12.252 13.312 54.234 1.00109.47 N ATOM 1052 CA ALA A 111 12.240 14.630 54.840 1.00113.71 C ATOM 1053 C ALA A 111 11.160 14.675 55.926 1.00118.06 C ATOM 1054 O ALA A 111 10.025 14.262 55.709 1.00116.74 O ATOM 1055 CB ALA A 111 12.007 15.663 53.771 1.00115.25 C ATOM 1056 H ALA A 111 11.360 12.885 53.913 1.00 0.00 H ATOM 1057 N GLU A 112 11.539 15.187 57.098 1.00125.13 N ATOM 1058 CA GLU A 112 10.635 15.442 58.222 1.00133.18 C ATOM 1059 C GLU A 112 11.416 16.306 59.213 1.00142.89 C ATOM 1060 O GLU A 112 12.630 16.141 59.318 1.00152.70 O ATOM 1061 CB GLU A 112 10.109 14.103 58.764 1.00126.88 C ATOM 1062 CG GLU A 112 9.649 14.095 60.220 1.00127.78 C ATOM 1063 CD GLU A 112 8.195 13.750 60.511 1.00129.66 C ATOM 1064 OE1 GLU A 112 7.546 14.507 61.271 1.00127.37 O ATOM 1065 OE2 GLU A 112 7.727 12.692 60.034 1.00126.28 O ATOM 1066 H GLU A 112 12.545 15.421 57.222 1.00 0.00 H ATOM 1067 N PRO A 113 10.805 17.266 59.953 1.00147.67 N ATOM 1068 CA PRO A 113 11.517 17.991 61.006 1.00143.02 C ATOM 1069 C PRO A 113 11.954 16.996 62.093 1.00134.04 C ATOM 1070 O PRO A 113 11.107 16.495 62.830 1.00133.69 O ATOM 1071 CB PRO A 113 10.505 19.010 61.557 1.00147.27 C ATOM 1072 CG PRO A 113 9.389 19.051 60.535 1.00149.69 C ATOM 1073 CD PRO A 113 9.397 17.687 59.876 1.00148.76 C ATOM 1074 N GLU A 114 13.259 16.695 62.141 1.00125.29 N ATOM 1075 CA GLU A 114 13.829 15.636 62.975 1.00118.43 C ATOM 1076 C GLU A 114 13.425 14.253 62.447 1.00112.97 C ATOM 1077 O GLU A 114 12.986 13.410 63.236 1.00122.83 O ATOM 1078 CB GLU A 114 13.366 15.783 64.429 1.00120.50 C ATOM 1079 CG GLU A 114 14.360 15.252 65.446 1.00116.11 C ATOM 1080 CD GLU A 114 15.240 16.348 66.022 1.00118.73 C ATOM 1081 OE1 GLU A 114 14.732 17.471 66.223 1.00118.04 O ATOM 1082 OE2 GLU A 114 16.436 16.085 66.244 1.00117.89 O ATOM 1083 H GLU A 114 13.908 17.250 61.547 1.00 0.00 H ATOM 1084 N GLN A 115 13.642 13.991 61.151 1.00 99.69 N ATOM 1085 CA GLN A 115 12.989 12.855 60.478 1.00 90.99 C ATOM 1086 C GLN A 115 13.286 11.540 61.214 1.00 79.46 C ATOM 1087 O GLN A 115 14.351 11.350 61.801 1.00 75.72 O ATOM 1088 CB GLN A 115 13.351 12.736 58.993 1.00 91.29 C ATOM 1089 CG GLN A 115 14.812 12.407 58.751 1.00 88.66 C ATOM 1090 CD GLN A 115 15.552 13.578 58.158 1.00 93.82 C ATOM 1091 OE1 GLN A 115 15.861 14.562 58.832 1.00 93.46 O ATOM 1092 NE2 GLN A 115 15.815 13.474 56.866 1.00 93.48 N ATOM 1093 HE22 GLN A 115 15.531 12.620 56.345 1.00 0.00 H ATOM 1094 HE21 GLN A 115 16.305 14.246 56.371 1.00 0.00 H ATOM 1095 H GLN A 115 14.285 14.603 60.609 1.00 0.00 H ATOM 1096 N SER A 116 12.290 10.650 61.153 1.00 68.48 N ATOM 1097 CA SER A 116 12.227 9.429 61.910 1.00 61.48 C ATOM 1098 C SER A 116 13.102 8.356 61.242 1.00 53.13 C ATOM 1099 O SER A 116 13.504 8.448 60.071 1.00 50.60 O ATOM 1100 CB SER A 116 10.796 8.984 62.086 1.00 63.67 C ATOM 1101 OG SER A 116 10.106 8.945 60.849 1.00 72.75 O ATOM 1102 HG SER A 116 9.173 8.650 61.002 1.00 0.00 H ATOM 1103 H SER A 116 11.500 10.857 60.509 1.00 0.00 H ATOM 1104 N LEU A 117 13.431 7.331 62.022 1.00 41.56 N ATOM 1105 CA LEU A 117 14.483 6.413 61.670 1.00 37.52 C ATOM 1106 C LEU A 117 14.334 5.169 62.544 1.00 32.58 C ATOM 1107 O LEU A 117 14.148 5.293 63.775 1.00 29.86 O ATOM 1108 CB LEU A 117 15.792 7.156 61.938 1.00 40.83 C ATOM 1109 CG LEU A 117 17.050 6.306 62.053 1.00 40.41 C ATOM 1110 CD1 LEU A 117 17.412 5.672 60.742 1.00 42.69 C ATOM 1111 CD2 LEU A 117 18.207 7.175 62.471 1.00 44.71 C ATOM 1112 H LEU A 117 12.913 7.188 62.913 1.00 0.00 H ATOM 1113 N ALA A 118 14.305 4.002 61.897 1.00 28.31 N ATOM 1114 CA ALA A 118 14.355 2.712 62.574 1.00 26.70 C ATOM 1115 C ALA A 118 15.380 1.795 61.930 1.00 25.21 C ATOM 1116 O ALA A 118 15.519 1.825 60.717 1.00 24.96 O ATOM 1117 CB ALA A 118 13.002 2.068 62.516 1.00 27.79 C ATOM 1118 H ALA A 118 14.244 4.014 60.859 1.00 0.00 H ATOM 1119 N CYS A 119 16.075 1.011 62.752 1.00 23.31 N ATOM 1120 CA CYS A 119 17.126 0.156 62.308 1.00 24.05 C ATOM 1121 C CYS A 119 16.937 -1.226 62.951 1.00 23.34 C ATOM 1122 O CYS A 119 16.366 -1.310 64.047 1.00 22.39 O ATOM 1123 CB CYS A 119 18.519 0.665 62.649 1.00 25.87 C ATOM 1124 SG CYS A 119 18.864 2.347 62.094 1.00 29.74 S ATOM 1125 H CYS A 119 15.840 1.023 63.765 1.00 0.00 H ATOM 1126 N GLN A 120 17.333 -2.280 62.228 1.00 21.34 N ATOM 1127 CA GLN A 120 17.241 -3.616 62.780 1.00 21.73 C ATOM 1128 C GLN A 120 18.558 -4.358 62.605 1.00 22.02 C ATOM 1129 O GLN A 120 19.329 -4.066 61.690 1.00 22.62 O ATOM 1130 CB GLN A 120 16.145 -4.467 62.143 1.00 21.64 C ATOM 1131 CG GLN A 120 14.774 -3.843 62.277 1.00 22.93 C ATOM 1132 CD GLN A 120 13.697 -4.837 61.939 1.00 23.94 C ATOM 1133 OE1 GLN A 120 13.998 -5.943 61.506 1.00 24.03 O ATOM 1134 NE2 GLN A 120 12.452 -4.478 62.217 1.00 25.97 N ATOM 1135 HE22 GLN A 120 12.255 -3.525 62.583 1.00 0.00 H ATOM 1136 HE21 GLN A 120 11.672 -5.150 62.069 1.00 0.00 H ATOM 1137 H GLN A 120 17.708 -2.140 61.268 1.00 0.00 H ATOM 1138 N CYS A 121 18.752 -5.313 63.511 1.00 22.18 N ATOM 1139 CA CYS A 121 19.759 -6.336 63.391 1.00 22.67 C ATOM 1140 C CYS A 121 19.032 -7.627 62.993 1.00 23.45 C ATOM 1141 O CYS A 121 18.256 -8.209 63.785 1.00 23.21 O ATOM 1142 CB CYS A 121 20.521 -6.512 64.692 1.00 24.68 C ATOM 1143 SG CYS A 121 21.765 -7.811 64.551 1.00 28.52 S ATOM 1144 H CYS A 121 18.142 -5.321 64.353 1.00 0.00 H ATOM 1145 N LEU A 122 19.256 -8.043 61.744 1.00 22.40 N ATOM 1146 CA LEU A 122 18.695 -9.282 61.191 1.00 23.63 C ATOM 1147 C LEU A 122 19.741 -10.363 61.356 1.00 23.87 C ATOM 1148 O LEU A 122 20.913 -10.114 61.049 1.00 24.49 O ATOM 1149 CB LEU A 122 18.365 -9.136 59.705 1.00 24.21 C ATOM 1150 CG LEU A 122 17.304 -8.108 59.338 1.00 24.75 C ATOM 1151 CD1 LEU A 122 16.925 -8.261 57.868 1.00 27.85 C ATOM 1152 CD2 LEU A 122 16.062 -8.272 60.192 1.00 23.60 C ATOM 1153 H LEU A 122 19.859 -7.459 61.131 1.00 0.00 H ATOM 1154 N VAL A 123 19.269 -11.568 61.661 1.00 24.22 N ATOM 1155 CA VAL A 123 20.153 -12.728 61.711 1.00 25.66 C ATOM 1156 C VAL A 123 19.461 -13.909 61.013 1.00 26.93 C ATOM 1157 O VAL A 123 18.238 -13.963 60.838 1.00 26.23 O ATOM 1158 CB VAL A 123 20.562 -13.072 63.159 1.00 27.56 C ATOM 1159 CG1 VAL A 123 21.424 -11.998 63.804 1.00 26.95 C ATOM 1160 CG2 VAL A 123 19.357 -13.407 64.039 1.00 25.97 C ATOM 1161 H VAL A 123 18.256 -11.685 61.867 1.00 0.00 H ATOM 1162 N ARG A 124 20.273 -14.881 60.587 1.00 29.21 N ATOM 1163 CA ARG A 124 19.779 -15.979 59.769 1.00 32.12 C ATOM 1164 C ARG A 124 19.083 -17.037 60.619 1.00 33.85 C ATOM 1165 O ARG A 124 18.305 -17.808 60.101 1.00 35.20 O ATOM 1166 CB ARG A 124 20.920 -16.650 58.998 1.00 33.80 C ATOM 1167 CG ARG A 124 21.471 -15.791 57.864 1.00 34.45 C ATOM 1168 CD ARG A 124 20.446 -15.545 56.763 1.00 32.90 C ATOM 1169 NE ARG A 124 21.049 -15.188 55.486 1.00 32.36 N ATOM 1170 CZ ARG A 124 20.375 -15.077 54.348 1.00 32.37 C ATOM 1171 NH1 ARG A 124 19.090 -15.398 54.309 1.00 30.49 N ATOM 1172 NH2 ARG A 124 21.024 -14.729 53.250 1.00 32.33 N ATOM 1173 HE ARG A 124 22.073 -15.009 55.465 1.00 0.00 H ATOM 1174 HH12 ARG A 124 18.559 -15.312 53.419 1.00 0.00 H ATOM 1175 HH11 ARG A 124 18.612 -15.736 55.169 1.00 0.00 H ATOM 1176 HH22 ARG A 124 20.511 -14.637 52.350 1.00 0.00 H ATOM 1177 HH21 ARG A 124 22.047 -14.547 53.286 1.00 0.00 H ATOM 1178 H ARG A 124 21.280 -14.852 60.846 1.00 0.00 H ATOM 1179 N THR A 125 19.355 -17.082 61.924 1.00 33.77 N ATOM 1180 CA THR A 125 18.925 -18.205 62.750 1.00 34.65 C ATOM 1181 C THR A 125 18.356 -17.626 64.038 1.00 34.11 C ATOM 1182 O THR A 125 18.726 -16.524 64.422 1.00 29.63 O ATOM 1183 CB THR A 125 20.036 -19.213 63.092 1.00 36.67 C ATOM 1184 OG1 THR A 125 21.035 -18.525 63.847 1.00 36.42 O ATOM 1185 CG2 THR A 125 20.637 -19.945 61.901 1.00 40.75 C ATOM 1186 HG1 THR A 125 21.763 -19.154 64.080 1.00 0.00 H ATOM 1187 H THR A 125 19.884 -16.301 62.361 1.00 0.00 H ATOM 1188 N PRO A 126 17.442 -18.361 64.703 1.00 34.44 N ATOM 1189 CA PRO A 126 16.813 -17.899 65.940 1.00 33.82 C ATOM 1190 C PRO A 126 17.749 -18.109 67.138 1.00 34.92 C ATOM 1191 O PRO A 126 17.470 -18.955 67.996 1.00 34.47 O ATOM 1192 CB PRO A 126 15.575 -18.809 65.999 1.00 34.24 C ATOM 1193 CG PRO A 126 16.037 -20.106 65.378 1.00 37.93 C ATOM 1194 CD PRO A 126 16.917 -19.658 64.233 1.00 38.39 C ATOM 1195 N GLU A 127 18.880 -17.392 67.123 1.00 33.13 N ATOM 1196 CA GLU A 127 19.906 -17.449 68.140 1.00 35.31 C ATOM 1197 C GLU A 127 20.315 -16.019 68.464 1.00 33.62 C ATOM 1198 O GLU A 127 20.278 -15.191 67.566 1.00 32.97 O ATOM 1199 CB GLU A 127 21.144 -18.176 67.622 1.00 37.73 C ATOM 1200 CG GLU A 127 20.921 -19.656 67.455 1.00 42.57 C ATOM 1201 CD GLU A 127 22.136 -20.320 66.838 1.00 46.19 C ATOM 1202 OE1 GLU A 127 22.399 -20.020 65.636 1.00 47.26 O ATOM 1203 OE2 GLU A 127 22.805 -21.083 67.574 1.00 46.99 O ATOM 1204 H GLU A 127 19.031 -16.747 66.321 1.00 0.00 H ATOM 1205 N VAL A 128 20.706 -15.766 69.711 1.00 36.23 N ATOM 1206 CA VAL A 128 21.229 -14.459 70.075 1.00 37.54 C ATOM 1207 C VAL A 128 22.693 -14.432 69.632 1.00 38.65 C ATOM 1208 O VAL A 128 23.552 -15.153 70.148 1.00 42.66 O ATOM 1209 CB VAL A 128 21.068 -14.174 71.580 1.00 41.85 C ATOM 1210 CG1 VAL A 128 21.668 -12.824 71.939 1.00 43.76 C ATOM 1211 CG2 VAL A 128 19.607 -14.211 71.992 1.00 38.98 C ATOM 1212 H VAL A 128 20.637 -16.511 70.433 1.00 0.00 H ATOM 1213 N ASP A 129 22.956 -13.609 68.621 1.00 34.89 N ATOM 1214 CA ASP A 129 24.281 -13.422 68.088 1.00 37.18 C ATOM 1215 C ASP A 129 24.851 -12.147 68.717 1.00 36.20 C ATOM 1216 O ASP A 129 24.527 -11.037 68.259 1.00 32.40 O ATOM 1217 CB ASP A 129 24.227 -13.337 66.562 1.00 36.31 C ATOM 1218 CG ASP A 129 25.595 -13.285 65.914 1.00 39.46 C ATOM 1219 OD1 ASP A 129 26.585 -13.079 66.654 1.00 40.91 O ATOM 1220 OD2 ASP A 129 25.641 -13.473 64.670 1.00 41.25 O ATOM 1221 H ASP A 129 22.170 -13.077 68.196 1.00 0.00 H ATOM 1222 N ASP A 130 25.621 -12.326 69.795 1.00 37.20 N ATOM 1223 CA ASP A 130 26.213 -11.214 70.538 1.00 38.67 C ATOM 1224 C ASP A 130 27.096 -10.369 69.603 1.00 39.42 C ATOM 1225 O ASP A 130 27.172 -9.168 69.793 1.00 37.61 O ATOM 1226 CB ASP A 130 27.029 -11.701 71.738 1.00 42.86 C ATOM 1227 CG ASP A 130 26.218 -12.183 72.943 1.00 44.78 C ATOM 1228 OD1 ASP A 130 25.014 -11.893 73.021 1.00 41.51 O ATOM 1229 OD2 ASP A 130 26.809 -12.847 73.824 1.00 52.92 O ATOM 1230 H ASP A 130 25.807 -13.297 70.119 1.00 0.00 H ATOM 1231 N GLU A 131 27.817 -11.005 68.672 1.00 39.86 N ATOM 1232 CA GLU A 131 28.708 -10.317 67.726 1.00 43.53 C ATOM 1233 C GLU A 131 27.916 -9.403 66.770 1.00 38.97 C ATOM 1234 O GLU A 131 28.334 -8.269 66.527 1.00 40.26 O ATOM 1235 CB GLU A 131 29.538 -11.314 66.907 1.00 49.90 C ATOM 1236 CG GLU A 131 30.585 -12.083 67.711 1.00 60.31 C ATOM 1237 CD GLU A 131 32.053 -11.863 67.348 1.00 71.23 C ATOM 1238 OE1 GLU A 131 32.401 -10.721 66.936 1.00 80.12 O ATOM 1239 OE2 GLU A 131 32.866 -12.827 67.488 1.00 74.46 O ATOM 1240 H GLU A 131 27.743 -12.041 68.615 1.00 0.00 H ATOM 1241 N ALA A 132 26.828 -9.906 66.173 1.00 33.38 N ATOM 1242 CA ALA A 132 25.978 -9.102 65.340 1.00 33.83 C ATOM 1243 C ALA A 132 25.395 -7.971 66.204 1.00 33.62 C ATOM 1244 O ALA A 132 25.307 -6.869 65.743 1.00 30.96 O ATOM 1245 CB ALA A 132 24.880 -9.942 64.713 1.00 33.18 C ATOM 1246 H ALA A 132 26.592 -10.908 66.317 1.00 0.00 H ATOM 1247 N LEU A 133 24.974 -8.253 67.445 1.00 31.96 N ATOM 1248 CA LEU A 133 24.368 -7.191 68.304 1.00 33.17 C ATOM 1249 C LEU A 133 25.369 -6.090 68.677 1.00 32.05 C ATOM 1250 O LEU A 133 25.041 -4.928 68.771 1.00 32.87 O ATOM 1251 CB LEU A 133 23.769 -7.819 69.563 1.00 31.58 C ATOM 1252 CG LEU A 133 22.469 -8.582 69.345 1.00 29.74 C ATOM 1253 CD1 LEU A 133 21.958 -9.144 70.667 1.00 31.88 C ATOM 1254 CD2 LEU A 133 21.435 -7.685 68.685 1.00 29.65 C ATOM 1255 H LEU A 133 25.070 -9.221 67.814 1.00 0.00 H ATOM 1256 N GLU A 134 26.630 -6.451 68.789 1.00 34.25 N ATOM 1257 CA GLU A 134 27.669 -5.467 69.075 1.00 38.85 C ATOM 1258 C GLU A 134 27.911 -4.586 67.837 1.00 36.33 C ATOM 1259 O GLU A 134 27.989 -3.382 67.965 1.00 34.79 O ATOM 1260 CB GLU A 134 28.875 -6.252 69.569 1.00 45.62 C ATOM 1261 CG GLU A 134 30.085 -5.401 69.857 1.00 53.38 C ATOM 1262 CD GLU A 134 31.237 -6.323 70.185 1.00 60.05 C ATOM 1263 OE1 GLU A 134 30.949 -7.486 70.553 1.00 65.28 O ATOM 1264 OE2 GLU A 134 32.395 -5.893 70.022 1.00 69.94 O ATOM 1265 H GLU A 134 26.889 -7.451 68.672 1.00 0.00 H ATOM 1266 N LYS A 135 27.898 -5.171 66.635 1.00 34.37 N ATOM 1267 CA LYS A 135 27.996 -4.419 65.414 1.00 34.01 C ATOM 1268 C LYS A 135 26.794 -3.480 65.287 1.00 32.36 C ATOM 1269 O LYS A 135 26.949 -2.314 64.940 1.00 31.51 O ATOM 1270 CB LYS A 135 28.047 -5.367 64.219 1.00 35.20 C ATOM 1271 CG LYS A 135 29.436 -5.960 63.989 1.00 39.70 C ATOM 1272 CD LYS A 135 29.384 -6.907 62.812 1.00 39.89 C ATOM 1273 CE LYS A 135 30.628 -7.739 62.615 1.00 42.74 C ATOM 1274 NZ LYS A 135 31.763 -6.859 62.286 1.00 46.73 N ATOM 1275 HZ1 LYS A 135 31.553 -6.337 61.411 1.00 0.00 H ATOM 1276 HZ2 LYS A 135 31.916 -6.186 63.064 1.00 0.00 H ATOM 1277 HZ3 LYS A 135 32.619 -7.435 62.151 1.00 0.00 H ATOM 1278 H LYS A 135 27.814 -6.206 66.582 1.00 0.00 H ATOM 1279 N PHE A 136 25.587 -3.976 65.576 1.00 27.60 N ATOM 1280 CA PHE A 136 24.399 -3.129 65.552 1.00 27.32 C ATOM 1281 C PHE A 136 24.519 -1.946 66.538 1.00 29.69 C ATOM 1282 O PHE A 136 24.288 -0.774 66.147 1.00 26.84 O ATOM 1283 CB PHE A 136 23.202 -4.022 65.860 1.00 26.63 C ATOM 1284 CG PHE A 136 21.866 -3.352 65.887 1.00 26.50 C ATOM 1285 CD1 PHE A 136 21.366 -2.770 64.740 1.00 26.27 C ATOM 1286 CD2 PHE A 136 21.092 -3.360 67.030 1.00 27.74 C ATOM 1287 CE1 PHE A 136 20.084 -2.267 64.718 1.00 25.53 C ATOM 1288 CE2 PHE A 136 19.832 -2.799 67.016 1.00 27.53 C ATOM 1289 CZ PHE A 136 19.313 -2.298 65.850 1.00 25.75 C ATOM 1290 H PHE A 136 25.493 -4.982 65.822 1.00 0.00 H ATOM 1291 N ASP A 137 24.876 -2.223 67.804 1.00 30.62 N ATOM 1292 CA ASP A 137 24.998 -1.129 68.818 1.00 32.44 C ATOM 1293 C ASP A 137 26.085 -0.123 68.429 1.00 34.42 C ATOM 1294 O ASP A 137 25.868 1.085 68.555 1.00 34.43 O ATOM 1295 CB ASP A 137 25.208 -1.647 70.235 1.00 36.87 C ATOM 1296 CG ASP A 137 23.959 -2.353 70.779 1.00 39.65 C ATOM 1297 OD1 ASP A 137 22.808 -2.019 70.352 1.00 34.97 O ATOM 1298 OD2 ASP A 137 24.142 -3.281 71.601 1.00 43.71 O ATOM 1299 H ASP A 137 25.069 -3.207 68.081 1.00 0.00 H ATOM 1300 N LYS A 138 27.185 -0.592 67.831 1.00 35.11 N ATOM 1301 CA LYS A 138 28.247 0.317 67.374 1.00 39.81 C ATOM 1302 C LYS A 138 27.779 1.198 66.211 1.00 37.19 C ATOM 1303 O LYS A 138 28.018 2.413 66.243 1.00 36.18 O ATOM 1304 CB LYS A 138 29.537 -0.458 67.069 1.00 45.52 C ATOM 1305 CG LYS A 138 30.313 -0.805 68.340 1.00 52.08 C ATOM 1306 CD LYS A 138 31.522 -1.704 68.144 1.00 56.80 C ATOM 1307 CE LYS A 138 32.117 -2.183 69.454 1.00 60.97 C ATOM 1308 NZ LYS A 138 33.363 -2.949 69.206 1.00 67.25 N ATOM 1309 HZ1 LYS A 138 33.149 -3.773 68.609 1.00 0.00 H ATOM 1310 HZ2 LYS A 138 34.053 -2.339 68.723 1.00 0.00 H ATOM 1311 HZ3 LYS A 138 33.758 -3.270 70.113 1.00 0.00 H ATOM 1312 H LYS A 138 27.291 -1.616 67.687 1.00 0.00 H ATOM 1313 N ALA A 139 27.076 0.612 65.239 1.00 35.00 N ATOM 1314 CA ALA A 139 26.462 1.375 64.137 1.00 35.45 C ATOM 1315 C ALA A 139 25.462 2.431 64.627 1.00 35.27 C ATOM 1316 O ALA A 139 25.368 3.488 64.010 1.00 34.15 O ATOM 1317 CB ALA A 139 25.757 0.446 63.192 1.00 32.78 C ATOM 1318 H ALA A 139 26.957 -0.421 65.260 1.00 0.00 H ATOM 1319 N LEU A 140 24.719 2.143 65.705 1.00 33.62 N ATOM 1320 CA LEU A 140 23.702 3.068 66.239 1.00 37.43 C ATOM 1321 C LEU A 140 24.290 4.122 67.184 1.00 37.79 C ATOM 1322 O LEU A 140 23.608 5.053 67.498 1.00 38.07 O ATOM 1323 CB LEU A 140 22.657 2.277 67.033 1.00 37.09 C ATOM 1324 CG LEU A 140 21.783 1.308 66.250 1.00 40.17 C ATOM 1325 CD1 LEU A 140 20.856 0.564 67.192 1.00 42.28 C ATOM 1326 CD2 LEU A 140 20.947 1.999 65.206 1.00 42.16 C ATOM 1327 H LEU A 140 24.866 1.231 66.184 1.00 0.00 H ATOM 1328 N LYS A 141 25.515 3.938 67.672 1.00 40.83 N ATOM 1329 CA LYS A 141 26.112 4.740 68.719 1.00 51.81 C ATOM 1330 C LYS A 141 25.935 6.247 68.462 1.00 54.13 C ATOM 1331 O LYS A 141 25.703 7.000 69.394 1.00 57.91 O ATOM 1332 CB LYS A 141 27.598 4.369 68.816 1.00 57.18 C ATOM 1333 CG LYS A 141 28.441 5.151 69.804 1.00 65.77 C ATOM 1334 CD LYS A 141 29.827 4.554 70.005 1.00 72.53 C ATOM 1335 CE LYS A 141 30.651 4.388 68.741 1.00 71.26 C ATOM 1336 NZ LYS A 141 31.147 5.695 68.253 1.00 70.91 N ATOM 1337 HZ1 LYS A 141 30.339 6.315 68.045 1.00 0.00 H ATOM 1338 HZ2 LYS A 141 31.743 6.133 68.984 1.00 0.00 H ATOM 1339 HZ3 LYS A 141 31.707 5.551 67.388 1.00 0.00 H ATOM 1340 H LYS A 141 26.083 3.164 67.273 1.00 0.00 H ATOM 1341 N ALA A 142 26.053 6.711 67.220 1.00 52.81 N ATOM 1342 CA ALA A 142 25.856 8.135 67.037 1.00 56.80 C ATOM 1343 C ALA A 142 24.459 8.440 66.472 1.00 54.57 C ATOM 1344 O ALA A 142 24.083 9.620 66.440 1.00 60.51 O ATOM 1345 CB ALA A 142 26.958 8.708 66.173 1.00 59.21 C ATOM 1346 H ALA A 142 26.275 6.083 66.421 1.00 0.00 H ATOM 1347 N LEU A 143 23.674 7.434 66.065 1.00 46.71 N ATOM 1348 CA LEU A 143 22.315 7.740 65.609 1.00 44.38 C ATOM 1349 C LEU A 143 21.441 8.159 66.792 1.00 44.03 C ATOM 1350 O LEU A 143 21.703 7.794 67.933 1.00 45.78 O ATOM 1351 CB LEU A 143 21.724 6.543 64.867 1.00 39.96 C ATOM 1352 CG LEU A 143 22.553 6.036 63.684 1.00 41.10 C ATOM 1353 CD1 LEU A 143 21.922 4.803 63.071 1.00 36.59 C ATOM 1354 CD2 LEU A 143 22.740 7.123 62.639 1.00 42.87 C ATOM 1355 H LEU A 143 24.022 6.454 66.072 1.00 0.00 H ATOM 1356 N PRO A 144 20.385 8.986 66.612 1.00 43.35 N ATOM 1357 CA PRO A 144 19.668 9.515 67.780 1.00 43.85 C ATOM 1358 C PRO A 144 18.507 8.563 68.123 1.00 38.83 C ATOM 1359 O PRO A 144 17.353 8.896 67.959 1.00 37.68 O ATOM 1360 CB PRO A 144 19.246 10.921 67.325 1.00 45.10 C ATOM 1361 CG PRO A 144 19.094 10.800 65.810 1.00 44.36 C ATOM 1362 CD PRO A 144 19.975 9.648 65.359 1.00 43.31 C ATOM 1363 N MET A 145 18.840 7.368 68.605 1.00 35.74 N ATOM 1364 CA MET A 145 17.878 6.353 68.915 1.00 32.88 C ATOM 1365 C MET A 145 17.369 6.575 70.335 1.00 32.78 C ATOM 1366 O MET A 145 18.131 7.048 71.133 1.00 35.88 O ATOM 1367 CB MET A 145 18.558 4.992 68.822 1.00 32.75 C ATOM 1368 CG MET A 145 19.065 4.683 67.424 1.00 33.53 C ATOM 1369 SD MET A 145 17.813 5.122 66.143 1.00 37.62 S ATOM 1370 CE MET A 145 18.044 3.818 64.944 1.00 35.22 C ATOM 1371 H MET A 145 19.847 7.161 68.764 1.00 0.00 H ATOM 1372 N HIS A 146 16.074 6.357 70.590 1.00 30.45 N ATOM 1373 CA HIS A 146 15.490 6.543 71.901 1.00 31.47 C ATOM 1374 C HIS A 146 14.690 5.313 72.366 1.00 29.79 C ATOM 1375 O HIS A 146 14.173 5.356 73.473 1.00 30.02 O ATOM 1376 CB HIS A 146 14.646 7.824 71.933 1.00 33.89 C ATOM 1377 CG HIS A 146 15.468 9.065 71.854 1.00 36.00 C ATOM 1378 ND1 HIS A 146 15.763 9.673 70.646 1.00 36.39 N ATOM 1379 CD2 HIS A 146 16.193 9.713 72.793 1.00 37.96 C ATOM 1380 CE1 HIS A 146 16.544 10.721 70.845 1.00 38.84 C ATOM 1381 NE2 HIS A 146 16.833 10.745 72.153 1.00 40.42 N ATOM 1382 H HIS A 146 15.460 6.040 69.812 1.00 0.00 H ATOM 1383 N ILE A 147 14.509 4.290 71.520 1.00 27.38 N ATOM 1384 CA ILE A 147 13.985 3.006 71.937 1.00 26.65 C ATOM 1385 C ILE A 147 14.827 1.923 71.275 1.00 25.67 C ATOM 1386 O ILE A 147 15.179 2.040 70.132 1.00 24.16 O ATOM 1387 CB ILE A 147 12.498 2.852 71.601 1.00 26.75 C ATOM 1388 CG1 ILE A 147 11.927 1.481 71.990 1.00 25.93 C ATOM 1389 CG2 ILE A 147 12.246 3.185 70.140 1.00 26.11 C ATOM 1390 CD1 ILE A 147 10.450 1.551 72.366 1.00 27.58 C ATOM 1391 H ILE A 147 14.756 4.424 70.519 1.00 0.00 H ATOM 1392 N ARG A 148 15.074 0.833 72.004 1.00 26.86 N ATOM 1393 CA ARG A 148 15.752 -0.336 71.467 1.00 26.33 C ATOM 1394 C ARG A 148 15.064 -1.538 72.105 1.00 26.15 C ATOM 1395 O ARG A 148 14.835 -1.542 73.333 1.00 28.14 O ATOM 1396 CB ARG A 148 17.245 -0.343 71.808 1.00 29.39 C ATOM 1397 CG ARG A 148 18.059 -1.507 71.244 1.00 30.25 C ATOM 1398 CD ARG A 148 19.424 -1.588 71.927 1.00 34.69 C ATOM 1399 NE ARG A 148 20.294 -2.596 71.323 1.00 35.91 N ATOM 1400 CZ ARG A 148 20.276 -3.866 71.692 1.00 35.37 C ATOM 1401 NH1 ARG A 148 19.330 -4.295 72.520 1.00 34.39 N ATOM 1402 NH2 ARG A 148 21.296 -4.631 71.355 1.00 37.90 N ATOM 1403 HE ARG A 148 20.953 -2.303 70.574 1.00 0.00 H ATOM 1404 HH12 ARG A 148 19.310 -5.292 72.814 1.00 0.00 H ATOM 1405 HH11 ARG A 148 18.610 -3.634 72.874 1.00 0.00 H ATOM 1406 HH22 ARG A 148 21.308 -5.633 71.632 1.00 0.00 H ATOM 1407 HH21 ARG A 148 22.088 -4.232 70.812 1.00 0.00 H ATOM 1408 H ARG A 148 14.769 0.819 72.998 1.00 0.00 H ATOM 1409 N LEU A 149 14.762 -2.537 71.265 1.00 23.79 N ATOM 1410 CA LEU A 149 14.115 -3.796 71.649 1.00 24.33 C ATOM 1411 C LEU A 149 15.016 -4.925 71.172 1.00 24.41 C ATOM 1412 O LEU A 149 15.595 -4.805 70.072 1.00 22.02 O ATOM 1413 CB LEU A 149 12.752 -3.972 70.965 1.00 25.31 C ATOM 1414 CG LEU A 149 11.746 -2.863 71.185 1.00 28.01 C ATOM 1415 CD1 LEU A 149 10.499 -3.159 70.380 1.00 30.77 C ATOM 1416 CD2 LEU A 149 11.444 -2.664 72.656 1.00 28.95 C ATOM 1417 H LEU A 149 15.005 -2.410 70.262 1.00 0.00 H ATOM 1418 N SER A 150 15.084 -6.012 71.944 1.00 23.76 N ATOM 1419 CA SER A 150 15.601 -7.266 71.385 1.00 25.69 C ATOM 1420 C SER A 150 14.813 -8.458 71.906 1.00 24.58 C ATOM 1421 O SER A 150 14.026 -8.366 72.844 1.00 24.80 O ATOM 1422 CB SER A 150 17.077 -7.496 71.573 1.00 27.75 C ATOM 1423 OG SER A 150 17.375 -7.521 72.931 1.00 35.67 O ATOM 1424 HG SER A 150 18.346 -7.672 73.052 1.00 0.00 H ATOM 1425 H SER A 150 14.772 -5.970 72.935 1.00 0.00 H ATOM 1426 N PHE A 151 14.977 -9.555 71.162 1.00 24.33 N ATOM 1427 CA PHE A 151 14.088 -10.698 71.279 1.00 25.98 C ATOM 1428 C PHE A 151 14.886 -11.969 71.560 1.00 24.59 C ATOM 1429 O PHE A 151 16.045 -12.070 71.195 1.00 25.24 O ATOM 1430 CB PHE A 151 13.284 -10.855 69.986 1.00 25.99 C ATOM 1431 CG PHE A 151 12.401 -9.666 69.731 1.00 26.06 C ATOM 1432 CD1 PHE A 151 11.184 -9.534 70.372 1.00 28.55 C ATOM 1433 CD2 PHE A 151 12.824 -8.667 68.869 1.00 26.63 C ATOM 1434 CE1 PHE A 151 10.399 -8.410 70.161 1.00 29.65 C ATOM 1435 CE2 PHE A 151 12.035 -7.549 68.659 1.00 26.32 C ATOM 1436 CZ PHE A 151 10.818 -7.433 69.295 1.00 28.27 C ATOM 1437 H PHE A 151 15.762 -9.592 70.481 1.00 0.00 H ATOM 1438 N ASN A 152 14.281 -12.830 72.383 1.00 25.19 N ATOM 1439 CA ASN A 152 14.901 -14.085 72.777 1.00 25.87 C ATOM 1440 C ASN A 152 14.557 -15.143 71.736 1.00 27.33 C ATOM 1441 O ASN A 152 13.682 -14.945 70.887 1.00 25.81 O ATOM 1442 CB ASN A 152 14.538 -14.380 74.237 1.00 27.70 C ATOM 1443 CG ASN A 152 13.116 -14.867 74.409 1.00 29.42 C ATOM 1444 OD1 ASN A 152 12.609 -15.600 73.563 1.00 28.64 O ATOM 1445 ND2 ASN A 152 12.478 -14.441 75.484 1.00 28.27 N ATOM 1446 HD22 ASN A 152 12.962 -13.821 76.165 1.00 0.00 H ATOM 1447 HD21 ASN A 152 11.491 -14.725 75.650 1.00 0.00 H ATOM 1448 H ASN A 152 13.338 -12.596 72.753 1.00 0.00 H ATOM 1449 N PRO A 153 15.299 -16.274 71.696 1.00 28.73 N ATOM 1450 CA PRO A 153 15.054 -17.295 70.688 1.00 29.28 C ATOM 1451 C PRO A 153 13.621 -17.856 70.691 1.00 32.65 C ATOM 1452 O PRO A 153 13.178 -18.297 69.626 1.00 31.72 O ATOM 1453 CB PRO A 153 16.044 -18.392 71.113 1.00 31.41 C ATOM 1454 CG PRO A 153 17.200 -17.613 71.678 1.00 31.41 C ATOM 1455 CD PRO A 153 16.476 -16.584 72.524 1.00 30.45 C ATOM 1456 N THR A 154 12.977 -17.915 71.869 1.00 31.63 N ATOM 1457 CA THR A 154 11.594 -18.412 71.947 1.00 34.74 C ATOM 1458 C THR A 154 10.695 -17.501 71.096 1.00 33.19 C ATOM 1459 O THR A 154 10.051 -17.962 70.117 1.00 32.70 O ATOM 1460 CB THR A 154 11.108 -18.574 73.395 1.00 36.68 C ATOM 1461 OG1 THR A 154 12.068 -19.412 74.038 1.00 37.68 O ATOM 1462 CG2 THR A 154 9.735 -19.207 73.496 1.00 39.20 C ATOM 1463 HG1 THR A 154 12.958 -18.979 74.004 1.00 0.00 H ATOM 1464 H THR A 154 13.462 -17.606 72.736 1.00 0.00 H ATOM 1465 N GLN A 155 10.820 -16.194 71.344 1.00 30.94 N ATOM 1466 CA GLN A 155 10.047 -15.144 70.644 1.00 29.88 C ATOM 1467 C GLN A 155 10.319 -15.149 69.149 1.00 29.00 C ATOM 1468 O GLN A 155 9.427 -14.905 68.326 1.00 31.26 O ATOM 1469 CB GLN A 155 10.358 -13.755 71.200 1.00 28.74 C ATOM 1470 CG GLN A 155 9.903 -13.584 72.638 1.00 29.42 C ATOM 1471 CD GLN A 155 10.439 -12.334 73.291 1.00 29.42 C ATOM 1472 OE1 GLN A 155 11.565 -11.927 73.022 1.00 26.63 O ATOM 1473 NE2 GLN A 155 9.727 -11.842 74.304 1.00 30.77 N ATOM 1474 HE22 GLN A 155 8.776 -12.214 74.500 1.00 0.00 H ATOM 1475 HE21 GLN A 155 10.123 -11.086 74.899 1.00 0.00 H ATOM 1476 H GLN A 155 11.501 -15.897 72.072 1.00 0.00 H ATOM 1477 N LEU A 156 11.574 -15.385 68.765 1.00 27.85 N ATOM 1478 CA LEU A 156 11.912 -15.307 67.387 1.00 26.65 C ATOM 1479 C LEU A 156 11.201 -16.389 66.566 1.00 29.63 C ATOM 1480 O LEU A 156 11.037 -16.253 65.346 1.00 30.06 O ATOM 1481 CB LEU A 156 13.423 -15.493 67.282 1.00 26.92 C ATOM 1482 CG LEU A 156 14.263 -14.305 67.754 1.00 25.90 C ATOM 1483 CD1 LEU A 156 15.721 -14.683 67.723 1.00 27.05 C ATOM 1484 CD2 LEU A 156 13.992 -13.068 66.935 1.00 24.28 C ATOM 1485 H LEU A 156 12.301 -15.625 69.469 1.00 0.00 H ATOM 1486 N GLU A 157 10.790 -17.473 67.219 1.00 30.17 N ATOM 1487 CA GLU A 157 10.119 -18.575 66.546 1.00 33.70 C ATOM 1488 C GLU A 157 8.595 -18.396 66.541 1.00 35.70 C ATOM 1489 O GLU A 157 7.910 -19.227 65.975 1.00 38.27 O ATOM 1490 CB GLU A 157 10.550 -19.902 67.182 1.00 35.73 C ATOM 1491 CG GLU A 157 11.913 -20.321 66.657 1.00 36.60 C ATOM 1492 CD GLU A 157 11.899 -20.831 65.214 1.00 37.47 C ATOM 1493 OE1 GLU A 157 11.402 -21.925 64.993 1.00 38.68 O ATOM 1494 OE2 GLU A 157 12.257 -20.089 64.304 1.00 39.47 O ATOM 1495 H GLU A 157 10.954 -17.535 68.244 1.00 0.00 H ATOM 1496 N GLU A 158 8.074 -17.312 67.123 1.00 35.78 N ATOM 1497 CA GLU A 158 6.638 -17.028 67.184 1.00 39.06 C ATOM 1498 C GLU A 158 6.281 -15.897 66.214 1.00 37.68 C ATOM 1499 O GLU A 158 7.083 -14.987 65.956 1.00 32.31 O ATOM 1500 CB GLU A 158 6.220 -16.587 68.585 1.00 41.12 C ATOM 1501 CG GLU A 158 6.587 -17.575 69.680 1.00 45.17 C ATOM 1502 CD GLU A 158 5.614 -18.741 69.732 1.00 51.74 C ATOM 1503 OE1 GLU A 158 4.709 -18.780 68.885 1.00 54.70 O ATOM 1504 OE2 GLU A 158 5.771 -19.602 70.598 1.00 57.99 O ATOM 1505 H GLU A 158 8.727 -16.629 67.559 1.00 0.00 H ATOM 1506 N GLN A 159 5.034 -15.943 65.748 1.00 40.28 N ATOM 1507 CA GLN A 159 4.498 -14.956 64.848 1.00 42.44 C ATOM 1508 C GLN A 159 4.420 -13.632 65.618 1.00 38.71 C ATOM 1509 O GLN A 159 3.818 -13.566 66.671 1.00 37.58 O ATOM 1510 CB GLN A 159 3.136 -15.439 64.328 1.00 49.05 C ATOM 1511 CG GLN A 159 3.250 -16.527 63.258 1.00 53.08 C ATOM 1512 CD GLN A 159 3.581 -15.960 61.899 1.00 57.43 C ATOM 1513 OE1 GLN A 159 2.867 -15.129 61.340 1.00 63.37 O ATOM 1514 NE2 GLN A 159 4.703 -16.380 61.339 1.00 63.63 N ATOM 1515 HE22 GLN A 159 5.295 -17.083 61.825 1.00 0.00 H ATOM 1516 HE21 GLN A 159 4.993 -16.007 60.412 1.00 0.00 H ATOM 1517 H GLN A 159 4.420 -16.727 66.048 1.00 0.00 H ATOM 1518 N CYS A 160 5.037 -12.580 65.079 1.00 34.52 N ATOM 1519 CA CYS A 160 5.100 -11.261 65.707 1.00 34.67 C ATOM 1520 C CYS A 160 5.809 -11.328 67.065 1.00 33.34 C ATOM 1521 O CYS A 160 5.628 -10.455 67.880 1.00 31.85 O ATOM 1522 CB CYS A 160 3.733 -10.599 65.865 1.00 37.98 C ATOM 1523 SG CYS A 160 3.016 -10.070 64.285 1.00 40.31 S ATOM 1524 H CYS A 160 5.501 -12.705 64.157 1.00 0.00 H ATOM 1525 N HIS A 161 6.671 -12.337 67.248 1.00 33.36 N ATOM 1526 CA HIS A 161 7.586 -12.393 68.377 1.00 33.67 C ATOM 1527 C HIS A 161 6.825 -12.385 69.715 1.00 37.56 C ATOM 1528 O HIS A 161 7.323 -11.871 70.685 1.00 32.73 O ATOM 1529 CB HIS A 161 8.605 -11.261 68.269 1.00 30.35 C ATOM 1530 CG HIS A 161 9.570 -11.427 67.144 1.00 29.67 C ATOM 1531 ND1 HIS A 161 10.742 -10.689 67.068 1.00 28.01 N ATOM 1532 CD2 HIS A 161 9.587 -12.264 66.080 1.00 31.09 C ATOM 1533 CE1 HIS A 161 11.418 -11.055 65.990 1.00 28.21 C ATOM 1534 NE2 HIS A 161 10.722 -12.001 65.355 1.00 29.67 N ATOM 1535 H HIS A 161 6.686 -13.112 66.554 1.00 0.00 H ATOM 1536 N ILE A 162 5.645 -13.007 69.755 1.00 41.77 N ATOM 1537 CA ILE A 162 4.770 -13.094 70.959 1.00 48.99 C ATOM 1538 C ILE A 162 5.476 -13.845 72.090 1.00 52.34 C ATOM 1539 O ILE A 162 5.337 -13.566 73.295 1.00 54.36 O ATOM 1540 CB ILE A 162 3.473 -13.831 70.579 1.00 52.57 C ATOM 1541 CG1 ILE A 162 2.666 -13.025 69.555 1.00 52.94 C ATOM 1542 CG2 ILE A 162 2.629 -14.187 71.793 1.00 61.14 C ATOM 1543 CD1 ILE A 162 2.433 -11.585 69.928 1.00 51.79 C ATOM 1544 OXT ILE A 162 6.185 -14.801 71.785 1.00 58.01 O ATOM 1545 H ILE A 162 5.311 -13.464 68.883 1.00 0.00 H TER 1546 ILE A 162 HETATM 1547 O HOH 1 25.995 -4.842 72.135 1.00 43.24 O HETATM 1548 O HOH 2 29.050 -11.279 45.145 1.00 30.39 O HETATM 1549 O HOH 3 7.086 -13.232 75.075 1.00 46.00 O HETATM 1550 O HOH 4 29.416 -0.942 56.512 1.00 44.17 O HETATM 1551 O HOH 5 15.072 -13.842 45.057 1.00 50.89 O HETATM 1552 O HOH 6 4.508 -14.235 54.929 1.00 47.79 O HETATM 1553 O HOH 7 10.670 11.363 70.291 1.00 43.41 O HETATM 1554 O HOH 8 29.060 -1.703 63.652 1.00 38.22 O HETATM 1555 O HOH 9 27.603 -12.748 63.209 1.00 45.98 O HETATM 1556 O HOH 10 26.232 4.235 41.886 1.00 21.66 O HETATM 1557 O HOH 11 14.150 -18.022 74.666 1.00 38.19 O HETATM 1558 O HOH 12 8.866 -20.260 70.082 1.00 38.49 O HETATM 1559 O HOH 13 12.776 -10.141 74.484 1.00 32.61 O HETATM 1560 O HOH 14 22.347 0.510 70.883 1.00 45.12 O HETATM 1561 O HOH 15 10.894 -14.198 63.717 1.00 37.54 O HETATM 1562 O HOH 16 9.802 -23.741 66.014 1.00 38.28 O HETATM 1563 O HOH 17 6.476 -19.086 63.774 1.00 50.81 O HETATM 1564 O HOH 18 23.747 -5.215 44.894 1.00 15.91 O HETATM 1565 O HOH 19 29.362 0.782 62.608 1.00 47.14 O HETATM 1566 O HOH 20 8.363 -14.999 63.645 1.00 37.47 O HETATM 1567 O HOH 21 23.714 -15.700 50.436 1.00 25.19 O HETATM 1568 O HOH 22 6.747 -12.892 62.840 1.00 44.65 O HETATM 1569 O HOH 23 23.905 -15.045 63.374 1.00 49.02 O HETATM 1570 O HOH 24 20.635 -17.817 71.442 1.00 22.64 O HETATM 1571 O HOH 25 11.641 -11.474 62.455 1.00 22.39 O HETATM 1572 O HOH 26 26.225 -15.153 70.570 1.00 32.84 O HETATM 1573 O HOH 27 22.067 4.874 69.736 1.00 44.78 O HETATM 1574 O HOH 28 32.681 -4.554 51.724 1.00 54.92 O HETATM 1575 O HOH 29 11.871 -1.972 63.444 1.00 37.25 O HETATM 1576 O HOH 30 18.247 -10.984 72.404 1.00 35.12 O HETATM 1577 O HOH 31 26.275 4.071 61.488 1.00 37.22 O HETATM 1578 O HOH 32 19.974 -3.677 43.275 1.00 40.32 O HETATM 1579 O HOH 33 -5.087 -4.337 58.335 1.00 73.50 O HETATM 1580 O HOH 34 19.666 -0.120 45.007 1.00 25.57 O HETATM 1581 O HOH 35 21.364 8.044 70.711 1.00 58.24 O HETATM 1582 O HOH 36 5.599 -1.931 48.670 1.00 49.83 O HETATM 1583 O HOH 37 5.089 -22.325 70.383 1.00 65.51 O HETATM 1584 O HOH 38 -7.323 -10.130 58.908 1.00 48.89 O HETATM 1585 O HOH 39 26.600 -7.465 71.972 1.00 43.90 O HETATM 1586 O HOH 40 19.947 6.293 46.296 1.00 15.91 O HETATM 1587 O HOH 41 25.152 6.048 60.371 1.00 53.18 O HETATM 1588 O HOH 42 21.785 -15.804 65.243 1.00 44.42 O HETATM 1589 O HOH 43 31.644 -4.902 59.995 1.00 43.28 O HETATM 1590 O HOH 44 22.478 -16.807 62.070 1.00 36.84 O HETATM 1591 O HOH 45 25.867 -20.256 49.170 1.00 75.45 O HETATM 1592 O HOH 46 7.380 -16.912 62.312 1.00 38.35 O HETATM 1593 O HOH 47 24.878 -13.090 43.250 1.00 28.10 O HETATM 1594 O HOH 48 21.491 -6.868 73.262 1.00 49.58 O HETATM 1595 O HOH 49 17.115 -3.299 74.192 1.00 32.16 O HETATM 1596 O HOH 50 -5.846 -2.117 59.182 1.00 53.56 O HETATM 1597 O HOH 51 11.046 9.400 71.801 1.00 33.48 O HETATM 1598 O HOH 52 4.037 -5.860 47.398 1.00 67.98 O HETATM 1599 O HOH 53 24.644 7.603 53.278 1.00 50.58 O HETATM 1600 O HOH 54 31.361 -7.712 66.862 1.00 51.85 O HETATM 1601 O HOH 55 31.849 -9.061 58.676 1.00 51.51 O HETATM 1602 O HOH 56 -3.892 -3.412 67.312 1.00 43.99 O HETATM 1603 O HOH 57 9.427 -15.562 75.719 1.00 37.68 O HETATM 1604 O HOH 58 31.655 -17.981 60.216 1.00 71.18 O HETATM 1605 O HOH 59 10.980 14.295 66.575 1.00 58.89 O HETATM 1606 O HOH 60 -8.095 -4.429 67.995 1.00 73.60 O HETATM 1607 O HOH 61 18.440 -4.188 35.764 1.00 66.01 O HETATM 1608 O HOH 62 31.557 -4.791 66.466 1.00 51.43 O HETATM 1609 O HOH 63 19.275 -2.713 75.954 1.00 41.28 O HETATM 1610 O HOH 64 24.611 -17.278 67.066 1.00 43.11 O HETATM 1611 O HOH 65 8.605 -19.764 50.331 1.00 22.71 O HETATM 1612 O HOH 66 9.328 -5.298 37.498 1.00 40.13 O HETATM 1613 O HOH 67 21.233 -1.037 74.935 1.00 30.48 O HETATM 1614 O HOH 68 14.247 -2.833 37.193 1.00 64.14 O HETATM 1615 O HOH 69 17.833 14.750 73.033 1.00 46.46 O HETATM 1616 O HOH 70 33.141 -6.570 58.211 1.00 45.81 O HETATM 1617 O HOH 71 31.336 -8.306 50.806 1.00 59.60 O HETATM 1618 O HOH 72 20.391 -16.739 74.171 1.00 31.71 O HETATM 1619 O HOH 73 4.787 -0.873 44.728 1.00 57.12 O HETATM 1620 O HOH 74 5.266 -12.333 41.662 1.00 71.35 O HETATM 1621 O HOH 75 20.275 2.519 69.843 1.00 40.34 O HETATM 1622 O HOH 76 5.534 -1.000 40.687 1.00 41.90 O HETATM 1623 O HOH 77 16.193 -22.020 73.169 1.00 41.50 O HETATM 1624 O HOH 78 18.463 -17.837 75.430 1.00 54.18 O HETATM 1625 O HOH 79 29.094 -3.565 74.722 1.00 51.47 O HETATM 1626 O HOH 80 17.951 0.219 32.161 1.00 70.15 O HETATM 1627 O HOH 81 -0.398 -21.987 57.854 1.00 39.12 O HETATM 1628 C1 F A 15 2.562 -0.454 56.722 1.00 0.03 C HETATM 1629 O2 F A 15 1.730 -0.176 57.627 1.00 -0.57 O HETATM 1630 O3 F A 15 2.517 0.063 55.577 1.00 -0.57 O HETATM 1631 C4 F A 15 3.641 -1.481 57.016 1.00 0.00 C HETATM 1632 C5 F A 15 5.004 -1.156 56.399 1.00 -0.04 C HETATM 1633 C8 F A 15 5.992 -0.521 57.381 1.00 -0.05 C HETATM 1634 C6 F A 15 7.375 -0.296 56.771 1.00 -0.05 C HETATM 1635 C7 F A 15 8.109 -1.613 56.541 1.00 -0.05 C HETATM 1636 C9 F A 15 9.458 -1.397 55.883 1.00 -0.05 C HETATM 1637 C10 F A 15 10.321 -2.587 56.236 1.00 -0.05 C HETATM 1638 C11 F A 15 11.614 -2.592 55.461 1.00 -0.05 C HETATM 1639 C12 F A 15 12.422 -3.841 55.744 1.00 -0.05 C HETATM 1640 C13 F A 15 13.736 -3.688 54.997 1.00 -0.05 C HETATM 1641 C2 F A 15 14.617 -4.906 55.121 1.00 -0.05 C HETATM 1642 C3 F A 15 15.626 -4.779 53.997 1.00 -0.05 C HETATM 1643 C14 F A 15 16.959 -5.401 54.334 1.00 -0.06 C HETATM 1644 C15 F A 15 17.830 -5.296 53.109 1.00 -0.07 C HETATM 1645 H27 F A 15 18.814 -5.741 53.319 1.00 0.02 H HETATM 1646 H28 F A 15 17.957 -4.237 52.839 1.00 0.02 H HETATM 1647 H29 F A 15 17.355 -5.833 52.274 1.00 0.02 H HETATM 1648 H25 F A 15 16.822 -6.457 54.608 1.00 0.03 H HETATM 1649 H26 F A 15 17.424 -4.862 55.173 1.00 0.03 H HETATM 1650 H23 F A 15 15.781 -3.711 53.783 1.00 0.03 H HETATM 1651 H24 F A 15 15.222 -5.277 53.104 1.00 0.03 H HETATM 1652 H21 F A 15 14.024 -5.825 55.005 1.00 0.03 H HETATM 1653 H22 F A 15 15.125 -4.918 56.097 1.00 0.03 H HETATM 1654 H19 F A 15 14.275 -2.820 55.405 1.00 0.03 H HETATM 1655 H20 F A 15 13.519 -3.517 53.932 1.00 0.03 H HETATM 1656 H17 F A 15 11.883 -4.731 55.386 1.00 0.03 H HETATM 1657 H18 F A 15 12.608 -3.936 56.824 1.00 0.03 H HETATM 1658 H15 F A 15 12.206 -1.710 55.747 1.00 0.03 H HETATM 1659 H16 F A 15 11.387 -2.549 54.386 1.00 0.03 H HETATM 1660 H13 F A 15 9.766 -3.509 56.008 1.00 0.03 H HETATM 1661 H14 F A 15 10.551 -2.554 57.311 1.00 0.03 H HETATM 1662 H11 F A 15 9.918 -0.472 56.261 1.00 0.03 H HETATM 1663 H12 F A 15 9.339 -1.328 54.792 1.00 0.03 H HETATM 1664 H7 F A 15 7.495 -2.255 55.892 1.00 0.03 H HETATM 1665 H8 F A 15 8.261 -2.110 57.510 1.00 0.03 H HETATM 1666 H5 F A 15 7.260 0.222 55.807 1.00 0.03 H HETATM 1667 H6 F A 15 7.969 0.329 57.454 1.00 0.03 H HETATM 1668 H9 F A 15 6.096 -1.184 58.252 1.00 0.03 H HETATM 1669 H10 F A 15 5.589 0.450 57.706 1.00 0.03 H HETATM 1670 H3 F A 15 4.849 -0.458 55.563 1.00 0.03 H HETATM 1671 H4 F A 15 5.444 -2.090 56.020 1.00 0.03 H HETATM 1672 H1 F A 15 3.308 -2.453 56.623 1.00 0.04 H HETATM 1673 H2 F A 15 3.764 -1.549 58.107 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 613 612 1523 CONECT 1011 1010 1124 CONECT 1124 1011 1123 CONECT 1523 613 1522 CONECT 1628 1629 1630 1631 CONECT 1629 1628 CONECT 1630 1628 CONECT 1631 1628 1632 1672 1673 CONECT 1632 1631 1633 1670 1671 CONECT 1633 1632 1634 1668 1669 CONECT 1634 1633 1635 1666 1667 CONECT 1635 1634 1636 1664 1665 CONECT 1636 1635 1637 1662 1663 CONECT 1637 1636 1638 1660 1661 CONECT 1638 1637 1639 1658 1659 CONECT 1639 1638 1640 1656 1657 CONECT 1640 1639 1641 1654 1655 CONECT 1641 1640 1642 1652 1653 CONECT 1642 1641 1643 1650 1651 CONECT 1643 1642 1644 1648 1649 CONECT 1644 1643 1645 1646 1647 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1644 CONECT 1648 1643 CONECT 1649 1643 CONECT 1650 1642 CONECT 1651 1642 CONECT 1652 1641 CONECT 1653 1641 CONECT 1654 1640 CONECT 1655 1640 CONECT 1656 1639 CONECT 1657 1639 CONECT 1658 1638 CONECT 1659 1638 CONECT 1660 1637 CONECT 1661 1637 CONECT 1662 1636 CONECT 1663 1636 CONECT 1664 1635 CONECT 1665 1635 CONECT 1666 1634 CONECT 1667 1634 CONECT 1668 1633 CONECT 1669 1633 CONECT 1670 1632 CONECT 1671 1632 CONECT 1672 1631 CONECT 1673 1631 MASTER 0 0 0 0 0 0 0 0 1672 1 54 13 END
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PDBbind
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RCSB PDB
PDBbind
162aa, >6GF9_1|Chain... at 100%
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PDBbind
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PDBbind
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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
6gfs
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Beta-lactoglobulin
Ligand Name
F15
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.291uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Int. J. Biol. Macromol. Vol. 118: pp. 296-303
Ligand Properties
Formula
C
1
5
H
3
0
O
2
Molecular Weight
242.397
Exact Mass
242.225
No. of atoms
47
No. of bonds
46
Polar Surface Area
37.3
LOGP Value
8.02 (
Computed with XLOGP3
)
5.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
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):
P02754
Entrez Gene ID
NCBI Entrez Gene ID:
280838
ASD
Information of known allosteric effects of PDB entries
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