Browse entries in the PDBbind-CN Database
HEADER 2KPL_COMPLEX COMPND 2KPL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 GLY ALA MET GLY LYS PRO PHE PHE THR ARG ASN PRO SER SEQRES 2 A 129 GLU LEU LYS GLY LYS PHE ILE HIS THR LYS LEU ARG LYS SEQRES 3 A 129 SER SER ARG GLY PHE GLY PHE THR VAL VAL GLY GLY ASP SEQRES 4 A 129 GLU PRO ASP GLU PHE LEU GLN ILE LYS SER LEU VAL LEU SEQRES 5 A 129 ASP GLY PRO ALA ALA LEU ASP GLY LYS MET GLU THR GLY SEQRES 6 A 129 ASP VAL ILE VAL SER VAL ASN ASP THR CYS VAL LEU GLY SEQRES 7 A 129 HIS THR HIS ALA GLN VAL VAL LYS ILE PHE GLN SER ILE SEQRES 8 A 129 PRO ILE GLY ALA SER VAL ASP LEU GLU LEU CYS ARG GLY SEQRES 9 A 129 TYR PRO LEU PRO PHE ASP PRO ASP ASP PRO ASN THR SER SEQRES 10 A 129 LEU VAL THR SER VAL ALA ILE LEU ASP LYS GLU PRO HET ARG A 130 197 ATOM 1 N GLY A -3 114.332 17.269 -21.481 1.00 0.00 N ATOM 2 CA GLY A -3 114.599 16.257 -22.502 1.00 0.00 C ATOM 3 C GLY A -3 115.593 15.230 -22.014 1.00 0.00 C ATOM 4 O GLY A -3 116.288 15.467 -21.010 1.00 0.00 O ATOM 5 HA3 GLY A -3 115.001 16.746 -23.390 1.00 0.00 H ATOM 6 HA2 GLY A -3 113.666 15.755 -22.756 1.00 0.00 H ATOM 7 HN3 GLY A -3 115.218 17.756 -21.238 1.00 0.00 H ATOM 8 HN2 GLY A -3 113.943 16.810 -20.633 1.00 0.00 H ATOM 9 HN1 GLY A -3 113.646 17.958 -21.849 1.00 0.00 H ATOM 10 N ALA A -2 115.636 14.085 -22.704 1.00 0.00 N ATOM 11 CA ALA A -2 116.553 12.977 -22.428 1.00 0.00 C ATOM 12 C ALA A -2 116.454 12.504 -20.981 1.00 0.00 C ATOM 13 O ALA A -2 117.453 12.433 -20.259 1.00 0.00 O ATOM 14 CB ALA A -2 117.992 13.346 -22.806 1.00 0.00 C ATOM 15 HA ALA A -2 116.251 12.138 -23.055 1.00 0.00 H ATOM 16 HB1 ALA A -2 118.038 13.581 -23.869 1.00 0.00 H ATOM 17 HB2 ALA A -2 118.307 14.214 -22.226 1.00 0.00 H ATOM 18 HB3 ALA A -2 118.650 12.504 -22.590 1.00 0.00 H ATOM 19 H ALA A -2 114.969 13.973 -23.494 1.00 0.00 H ATOM 20 N MET A -1 115.259 12.191 -20.552 1.00 0.00 N ATOM 21 CA MET A -1 115.057 11.747 -19.204 1.00 0.00 C ATOM 22 C MET A -1 115.323 10.250 -19.158 1.00 0.00 C ATOM 23 O MET A -1 114.431 9.435 -19.378 1.00 0.00 O ATOM 24 CB MET A -1 113.631 12.086 -18.718 1.00 0.00 C ATOM 25 CG MET A -1 113.462 12.175 -17.194 1.00 0.00 C ATOM 26 SD MET A -1 113.770 10.638 -16.298 1.00 0.00 S ATOM 27 CE MET A -1 112.409 9.617 -16.869 1.00 0.00 C ATOM 28 HA MET A -1 115.744 12.261 -18.531 1.00 0.00 H ATOM 29 HB2 MET A -1 113.349 13.048 -19.145 1.00 0.00 H ATOM 30 HB3 MET A -1 112.956 11.314 -19.088 1.00 0.00 H ATOM 31 HG2 MET A -1 112.439 12.489 -16.985 1.00 0.00 H ATOM 32 HG3 MET A -1 114.155 12.929 -16.821 1.00 0.00 H ATOM 33 HE1 MET A -1 111.464 10.091 -16.603 1.00 0.00 H ATOM 34 HE2 MET A -1 112.469 9.506 -17.952 1.00 0.00 H ATOM 35 HE3 MET A -1 112.470 8.636 -16.398 1.00 0.00 H ATOM 36 H MET A -1 114.446 12.265 -21.196 1.00 0.00 H ATOM 37 N GLY A 0 116.576 9.913 -18.975 1.00 0.00 N ATOM 38 CA GLY A 0 116.975 8.540 -18.840 1.00 0.00 C ATOM 39 C GLY A 0 117.603 8.296 -17.494 1.00 0.00 C ATOM 40 O GLY A 0 118.449 7.410 -17.334 1.00 0.00 O ATOM 41 HA3 GLY A 0 117.697 8.299 -19.620 1.00 0.00 H ATOM 42 HA2 GLY A 0 116.099 7.901 -18.947 1.00 0.00 H ATOM 43 H GLY A 0 117.300 10.658 -18.926 1.00 0.00 H ATOM 44 N LYS A 1 117.172 9.071 -16.528 1.00 0.00 N ATOM 45 CA LYS A 1 117.724 9.051 -15.180 1.00 0.00 C ATOM 46 C LYS A 1 116.639 8.628 -14.218 1.00 0.00 C ATOM 47 O LYS A 1 115.462 8.779 -14.523 1.00 0.00 O ATOM 48 CB LYS A 1 118.240 10.460 -14.769 1.00 0.00 C ATOM 49 CG LYS A 1 119.508 10.960 -15.481 1.00 0.00 C ATOM 50 CD LYS A 1 119.303 11.272 -16.960 1.00 0.00 C ATOM 51 CE LYS A 1 118.340 12.435 -17.190 1.00 0.00 C ATOM 52 NZ LYS A 1 118.838 13.704 -16.629 1.00 0.00 N ATOM 53 HA LYS A 1 118.560 8.353 -15.153 1.00 0.00 H ATOM 54 HB2 LYS A 1 117.443 11.176 -14.969 1.00 0.00 H ATOM 55 HB3 LYS A 1 118.447 10.438 -13.699 1.00 0.00 H ATOM 56 HG2 LYS A 1 119.847 11.868 -14.982 1.00 0.00 H ATOM 57 HG3 LYS A 1 120.276 10.191 -15.395 1.00 0.00 H ATOM 58 HD2 LYS A 1 120.267 11.525 -17.400 1.00 0.00 H ATOM 59 HD3 LYS A 1 118.903 10.385 -17.451 1.00 0.00 H ATOM 60 HE2 LYS A 1 117.386 12.196 -16.721 1.00 0.00 H ATOM 61 HE3 LYS A 1 118.194 12.561 -18.263 1.00 0.00 H ATOM 62 HZ1 LYS A 1 118.973 13.599 -15.603 1.00 0.00 H ATOM 63 HZ2 LYS A 1 119.745 13.947 -17.076 1.00 0.00 H ATOM 64 HZ3 LYS A 1 118.146 14.458 -16.813 1.00 0.00 H ATOM 65 H LYS A 1 116.397 9.733 -16.735 1.00 0.00 H ATOM 66 N PRO A 2 117.000 8.061 -13.058 1.00 0.00 N ATOM 67 CA PRO A 2 116.022 7.674 -12.068 1.00 0.00 C ATOM 68 C PRO A 2 115.336 8.864 -11.459 1.00 0.00 C ATOM 69 O PRO A 2 115.964 9.754 -10.853 1.00 0.00 O ATOM 70 CB PRO A 2 116.794 6.891 -11.030 1.00 0.00 C ATOM 71 CG PRO A 2 118.208 7.326 -11.189 1.00 0.00 C ATOM 72 CD PRO A 2 118.377 7.730 -12.630 1.00 0.00 C ATOM 73 HA PRO A 2 115.223 7.081 -12.512 1.00 0.00 H ATOM 74 HD3 PRO A 2 119.032 8.597 -12.718 1.00 0.00 H ATOM 75 HD2 PRO A 2 118.782 6.908 -13.221 1.00 0.00 H ATOM 76 HG3 PRO A 2 118.883 6.505 -10.947 1.00 0.00 H ATOM 77 HG2 PRO A 2 118.417 8.172 -10.534 1.00 0.00 H ATOM 78 HB2 PRO A 2 116.432 7.123 -10.028 1.00 0.00 H ATOM 79 HB3 PRO A 2 116.700 5.820 -11.210 1.00 0.00 H ATOM 80 N PHE A 3 114.067 8.862 -11.644 1.00 0.00 N ATOM 81 CA PHE A 3 113.170 9.876 -11.194 1.00 0.00 C ATOM 82 C PHE A 3 113.052 9.844 -9.697 1.00 0.00 C ATOM 83 O PHE A 3 113.135 8.778 -9.068 1.00 0.00 O ATOM 84 CB PHE A 3 111.801 9.729 -11.895 1.00 0.00 C ATOM 85 CG PHE A 3 111.318 8.323 -11.978 1.00 0.00 C ATOM 86 CD1 PHE A 3 110.766 7.721 -10.888 1.00 0.00 C ATOM 87 CD2 PHE A 3 111.442 7.603 -13.155 1.00 0.00 C ATOM 88 CE1 PHE A 3 110.337 6.435 -10.941 1.00 0.00 C ATOM 89 CE2 PHE A 3 111.012 6.299 -13.224 1.00 0.00 C ATOM 90 CZ PHE A 3 110.456 5.710 -12.111 1.00 0.00 C ATOM 91 HA PHE A 3 113.567 10.855 -11.463 1.00 0.00 H ATOM 92 HB2 PHE A 3 111.066 10.313 -11.341 1.00 0.00 H ATOM 93 HB3 PHE A 3 111.889 10.123 -12.907 1.00 0.00 H ATOM 94 HD2 PHE A 3 111.884 8.074 -14.033 1.00 0.00 H ATOM 95 HE2 PHE A 3 111.111 5.736 -14.152 1.00 0.00 H ATOM 96 HZ PHE A 3 110.111 4.677 -12.153 1.00 0.00 H ATOM 97 HE1 PHE A 3 109.897 5.972 -10.058 1.00 0.00 H ATOM 98 HD1 PHE A 3 110.667 8.281 -9.958 1.00 0.00 H ATOM 99 H PHE A 3 113.660 8.058 -12.163 1.00 0.00 H ATOM 100 N PHE A 4 112.916 10.980 -9.149 1.00 0.00 N ATOM 101 CA PHE A 4 112.854 11.137 -7.735 1.00 0.00 C ATOM 102 C PHE A 4 111.925 12.264 -7.315 1.00 0.00 C ATOM 103 O PHE A 4 111.856 13.335 -7.958 1.00 0.00 O ATOM 104 CB PHE A 4 114.280 11.417 -7.163 1.00 0.00 C ATOM 105 CG PHE A 4 114.285 11.986 -5.754 1.00 0.00 C ATOM 106 CD1 PHE A 4 114.155 13.364 -5.558 1.00 0.00 C ATOM 107 CD2 PHE A 4 114.349 11.169 -4.646 1.00 0.00 C ATOM 108 CE1 PHE A 4 114.086 13.898 -4.306 1.00 0.00 C ATOM 109 CE2 PHE A 4 114.291 11.713 -3.381 1.00 0.00 C ATOM 110 CZ PHE A 4 114.155 13.078 -3.212 1.00 0.00 C ATOM 111 HA PHE A 4 112.457 10.205 -7.332 1.00 0.00 H ATOM 112 HB2 PHE A 4 114.836 10.479 -7.155 1.00 0.00 H ATOM 113 HB3 PHE A 4 114.779 12.128 -7.821 1.00 0.00 H ATOM 114 HD2 PHE A 4 114.446 10.090 -4.770 1.00 0.00 H ATOM 115 HE2 PHE A 4 114.353 11.063 -2.508 1.00 0.00 H ATOM 116 HZ PHE A 4 114.103 13.501 -2.209 1.00 0.00 H ATOM 117 HE1 PHE A 4 113.976 14.975 -4.176 1.00 0.00 H ATOM 118 HD1 PHE A 4 114.108 14.025 -6.424 1.00 0.00 H ATOM 119 H PHE A 4 112.848 11.824 -9.752 1.00 0.00 H ATOM 120 N THR A 5 111.219 11.993 -6.265 1.00 0.00 N ATOM 121 CA THR A 5 110.571 12.972 -5.471 1.00 0.00 C ATOM 122 C THR A 5 110.327 12.467 -4.084 1.00 0.00 C ATOM 123 O THR A 5 110.796 13.083 -3.122 1.00 0.00 O ATOM 124 CB THR A 5 109.382 13.760 -6.121 1.00 0.00 C ATOM 125 OG1 THR A 5 108.971 14.838 -5.258 1.00 0.00 O ATOM 126 CG2 THR A 5 108.181 12.889 -6.426 1.00 0.00 C ATOM 127 HA THR A 5 111.291 13.787 -5.397 1.00 0.00 H ATOM 128 HB THR A 5 109.755 14.145 -7.070 1.00 0.00 H ATOM 129 HG1 THR A 5 108.220 15.328 -5.678 1.00 0.00 H ATOM 130 HG23 THR A 5 108.484 12.070 -7.079 1.00 0.00 H ATOM 131 HG21 THR A 5 107.781 12.485 -5.496 1.00 0.00 H ATOM 132 HG22 THR A 5 107.417 13.487 -6.922 1.00 0.00 H ATOM 133 H THR A 5 111.121 10.996 -5.987 1.00 0.00 H ATOM 134 N ARG A 6 109.701 11.314 -4.002 1.00 0.00 N ATOM 135 CA ARG A 6 109.326 10.611 -2.711 1.00 0.00 C ATOM 136 C ARG A 6 108.158 9.724 -3.018 1.00 0.00 C ATOM 137 O ARG A 6 107.864 8.767 -2.334 1.00 0.00 O ATOM 138 CB ARG A 6 108.885 11.644 -1.637 1.00 0.00 C ATOM 139 CG ARG A 6 107.608 12.403 -1.945 1.00 0.00 C ATOM 140 CD ARG A 6 107.651 13.759 -1.312 1.00 0.00 C ATOM 141 NE ARG A 6 106.390 14.483 -1.467 1.00 0.00 N ATOM 142 CZ ARG A 6 106.165 15.463 -2.348 1.00 0.00 C ATOM 143 NH1 ARG A 6 107.027 15.701 -3.342 1.00 0.00 N ATOM 144 NH2 ARG A 6 105.044 16.155 -2.278 1.00 0.00 N ATOM 145 HA ARG A 6 110.179 10.050 -2.330 1.00 0.00 H ATOM 146 HB2 ARG A 6 108.741 11.111 -0.697 1.00 0.00 H ATOM 147 HB3 ARG A 6 109.688 12.371 -1.521 1.00 0.00 H ATOM 148 HG2 ARG A 6 107.504 12.512 -3.025 1.00 0.00 H ATOM 149 HG3 ARG A 6 106.755 11.849 -1.553 1.00 0.00 H ATOM 150 HD2 ARG A 6 108.448 14.339 -1.778 1.00 0.00 H ATOM 151 HD3 ARG A 6 107.861 13.644 -0.249 1.00 0.00 H ATOM 152 HE ARG A 6 105.604 14.214 -0.841 1.00 0.00 H ATOM 153 HH12 ARG A 6 106.840 16.467 -4.021 1.00 0.00 H ATOM 154 HH11 ARG A 6 107.885 15.121 -3.437 1.00 0.00 H ATOM 155 HH22 ARG A 6 104.861 16.919 -2.959 1.00 0.00 H ATOM 156 HH21 ARG A 6 104.343 15.936 -1.541 1.00 0.00 H ATOM 157 H ARG A 6 109.442 10.846 -4.894 1.00 0.00 H ATOM 158 N ASN A 7 107.516 10.093 -4.065 1.00 0.00 N ATOM 159 CA ASN A 7 106.300 9.500 -4.555 1.00 0.00 C ATOM 160 C ASN A 7 106.430 7.974 -4.805 1.00 0.00 C ATOM 161 O ASN A 7 107.090 7.527 -5.761 1.00 0.00 O ATOM 162 CB ASN A 7 106.028 10.180 -5.853 1.00 0.00 C ATOM 163 CG ASN A 7 104.647 10.069 -6.360 1.00 0.00 C ATOM 164 OD1 ASN A 7 103.903 9.138 -6.067 1.00 0.00 O ATOM 165 ND2 ASN A 7 104.318 11.009 -7.154 1.00 0.00 N ATOM 166 HA ASN A 7 105.505 9.622 -3.819 1.00 0.00 H ATOM 167 HB2 ASN A 7 106.255 11.239 -5.730 1.00 0.00 H ATOM 168 HB3 ASN A 7 106.695 9.751 -6.601 1.00 0.00 H ATOM 169 HD22 ASN A 7 104.993 11.772 -7.364 1.00 0.00 H ATOM 170 HD21 ASN A 7 103.375 11.013 -7.592 1.00 0.00 H ATOM 171 H ASN A 7 107.908 10.890 -4.607 1.00 0.00 H ATOM 172 N PRO A 8 105.740 7.138 -4.005 1.00 0.00 N ATOM 173 CA PRO A 8 105.770 5.699 -4.213 1.00 0.00 C ATOM 174 C PRO A 8 105.167 5.365 -5.518 1.00 0.00 C ATOM 175 O PRO A 8 105.462 4.344 -6.134 1.00 0.00 O ATOM 176 CB PRO A 8 104.820 5.138 -3.210 1.00 0.00 C ATOM 177 CG PRO A 8 104.338 6.232 -2.348 1.00 0.00 C ATOM 178 CD PRO A 8 104.899 7.522 -2.854 1.00 0.00 C ATOM 179 HA PRO A 8 106.793 5.328 -4.147 1.00 0.00 H ATOM 180 HD3 PRO A 8 104.099 8.193 -3.168 1.00 0.00 H ATOM 181 HD2 PRO A 8 105.498 8.009 -2.085 1.00 0.00 H ATOM 182 HG3 PRO A 8 104.668 6.065 -1.323 1.00 0.00 H ATOM 183 HG2 PRO A 8 103.249 6.269 -2.376 1.00 0.00 H ATOM 184 HB2 PRO A 8 103.976 4.676 -3.723 1.00 0.00 H ATOM 185 HB3 PRO A 8 105.328 4.389 -2.602 1.00 0.00 H ATOM 186 N SER A 9 104.293 6.223 -5.920 1.00 0.00 N ATOM 187 CA SER A 9 103.562 6.004 -7.043 1.00 0.00 C ATOM 188 C SER A 9 104.342 6.481 -8.310 1.00 0.00 C ATOM 189 O SER A 9 103.958 6.136 -9.432 1.00 0.00 O ATOM 190 CB SER A 9 102.195 6.658 -6.900 1.00 0.00 C ATOM 191 OG SER A 9 101.293 6.278 -7.939 1.00 0.00 O ATOM 192 HA SER A 9 103.396 4.935 -7.174 1.00 0.00 H ATOM 193 HB2 SER A 9 102.321 7.740 -6.925 1.00 0.00 H ATOM 194 HB3 SER A 9 101.767 6.366 -5.941 1.00 0.00 H ATOM 195 HG SER A 9 101.669 6.546 -8.815 1.00 0.00 H ATOM 196 H SER A 9 104.145 7.097 -5.376 1.00 0.00 H ATOM 197 N GLU A 10 105.434 7.300 -8.134 1.00 0.00 N ATOM 198 CA GLU A 10 106.268 7.669 -9.291 1.00 0.00 C ATOM 199 C GLU A 10 107.034 6.431 -9.642 1.00 0.00 C ATOM 200 O GLU A 10 107.249 6.112 -10.815 1.00 0.00 O ATOM 201 CB GLU A 10 107.263 8.861 -9.016 1.00 0.00 C ATOM 202 CG GLU A 10 108.447 8.541 -8.095 1.00 0.00 C ATOM 203 CD GLU A 10 109.232 9.744 -7.690 1.00 0.00 C ATOM 204 OE1 GLU A 10 109.714 10.460 -8.579 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.341 10.021 -6.462 1.00 0.00 O ATOM 206 HA GLU A 10 105.627 8.026 -10.097 1.00 0.00 H ATOM 207 HB2 GLU A 10 107.664 9.191 -9.974 1.00 0.00 H ATOM 208 HB3 GLU A 10 106.695 9.673 -8.562 1.00 0.00 H ATOM 209 HG2 GLU A 10 108.064 8.060 -7.195 1.00 0.00 H ATOM 210 HG3 GLU A 10 109.113 7.854 -8.616 1.00 0.00 H ATOM 211 H GLU A 10 105.670 7.658 -7.186 1.00 0.00 H ATOM 212 N LEU A 11 107.396 5.712 -8.583 1.00 0.00 N ATOM 213 CA LEU A 11 108.064 4.462 -8.673 1.00 0.00 C ATOM 214 C LEU A 11 107.218 3.475 -9.433 1.00 0.00 C ATOM 215 O LEU A 11 106.002 3.386 -9.246 1.00 0.00 O ATOM 216 CB LEU A 11 108.405 3.978 -7.283 1.00 0.00 C ATOM 217 CG LEU A 11 109.377 4.867 -6.517 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.472 4.423 -5.088 1.00 0.00 C ATOM 219 CD2 LEU A 11 110.747 4.831 -7.173 1.00 0.00 C ATOM 220 HA LEU A 11 108.996 4.573 -9.226 1.00 0.00 H ATOM 221 HB2 LEU A 11 107.480 3.914 -6.710 1.00 0.00 H ATOM 222 HB3 LEU A 11 108.848 2.986 -7.368 1.00 0.00 H ATOM 223 HG LEU A 11 109.006 5.892 -6.538 1.00 0.00 H ATOM 224 HD21 LEU A 11 111.122 3.807 -7.173 1.00 0.00 H ATOM 225 HD22 LEU A 11 110.667 5.190 -8.199 1.00 0.00 H ATOM 226 HD23 LEU A 11 111.432 5.470 -6.616 1.00 0.00 H ATOM 227 HD11 LEU A 11 108.488 4.487 -4.623 1.00 0.00 H ATOM 228 HD12 LEU A 11 109.826 3.393 -5.052 1.00 0.00 H ATOM 229 HD13 LEU A 11 110.170 5.068 -4.554 1.00 0.00 H ATOM 230 H LEU A 11 107.178 6.086 -7.637 1.00 0.00 H ATOM 231 N LYS A 12 107.865 2.780 -10.294 1.00 0.00 N ATOM 232 CA LYS A 12 107.227 1.882 -11.237 1.00 0.00 C ATOM 233 C LYS A 12 107.257 0.434 -10.778 1.00 0.00 C ATOM 234 O LYS A 12 107.851 0.106 -9.759 1.00 0.00 O ATOM 235 CB LYS A 12 107.937 1.971 -12.563 1.00 0.00 C ATOM 236 CG LYS A 12 109.394 1.613 -12.425 1.00 0.00 C ATOM 237 CD LYS A 12 110.048 1.340 -13.750 1.00 0.00 C ATOM 238 CE LYS A 12 110.105 2.601 -14.565 1.00 0.00 C ATOM 239 NZ LYS A 12 110.610 2.381 -15.918 1.00 0.00 N ATOM 240 HA LYS A 12 106.184 2.190 -11.318 1.00 0.00 H ATOM 241 HB2 LYS A 12 107.466 1.283 -13.266 1.00 0.00 H ATOM 242 HB3 LYS A 12 107.855 2.989 -12.943 1.00 0.00 H ATOM 243 HG2 LYS A 12 109.913 2.441 -11.943 1.00 0.00 H ATOM 244 HG3 LYS A 12 109.478 0.722 -11.803 1.00 0.00 H ATOM 245 HD2 LYS A 12 111.060 0.971 -13.584 1.00 0.00 H ATOM 246 HD3 LYS A 12 109.472 0.587 -14.289 1.00 0.00 H ATOM 247 HE2 LYS A 12 110.759 3.312 -14.061 1.00 0.00 H ATOM 248 HE3 LYS A 12 109.100 3.018 -14.632 1.00 0.00 H ATOM 249 HZ1 LYS A 12 111.573 1.991 -15.868 1.00 0.00 H ATOM 250 HZ2 LYS A 12 109.989 1.710 -16.414 1.00 0.00 H ATOM 251 HZ3 LYS A 12 110.627 3.285 -16.432 1.00 0.00 H ATOM 252 H LYS A 12 108.901 2.865 -10.317 1.00 0.00 H ATOM 253 N GLY A 13 106.643 -0.421 -11.576 1.00 0.00 N ATOM 254 CA GLY A 13 106.632 -1.822 -11.310 1.00 0.00 C ATOM 255 C GLY A 13 105.404 -2.235 -10.563 1.00 0.00 C ATOM 256 O GLY A 13 104.326 -2.398 -11.142 1.00 0.00 O ATOM 257 HA3 GLY A 13 107.509 -2.076 -10.715 1.00 0.00 H ATOM 258 HA2 GLY A 13 106.668 -2.362 -12.256 1.00 0.00 H ATOM 259 H GLY A 13 106.154 -0.063 -12.421 1.00 0.00 H ATOM 260 N LYS A 14 105.555 -2.388 -9.301 1.00 0.00 N ATOM 261 CA LYS A 14 104.501 -2.800 -8.431 1.00 0.00 C ATOM 262 C LYS A 14 104.665 -2.125 -7.093 1.00 0.00 C ATOM 263 O LYS A 14 105.727 -2.144 -6.499 1.00 0.00 O ATOM 264 CB LYS A 14 104.492 -4.339 -8.297 1.00 0.00 C ATOM 265 CG LYS A 14 105.838 -4.915 -7.884 1.00 0.00 C ATOM 266 CD LYS A 14 106.326 -5.987 -8.846 1.00 0.00 C ATOM 267 CE LYS A 14 105.531 -7.275 -8.726 1.00 0.00 C ATOM 268 NZ LYS A 14 105.953 -8.289 -9.720 1.00 0.00 N ATOM 269 HA LYS A 14 103.539 -2.503 -8.848 1.00 0.00 H ATOM 270 HB2 LYS A 14 103.752 -4.617 -7.547 1.00 0.00 H ATOM 271 HB3 LYS A 14 104.212 -4.769 -9.259 1.00 0.00 H ATOM 272 HG2 LYS A 14 106.571 -4.109 -7.856 1.00 0.00 H ATOM 273 HG3 LYS A 14 105.743 -5.352 -6.890 1.00 0.00 H ATOM 274 HD2 LYS A 14 106.234 -5.612 -9.865 1.00 0.00 H ATOM 275 HD3 LYS A 14 107.373 -6.200 -8.632 1.00 0.00 H ATOM 276 HE2 LYS A 14 104.475 -7.051 -8.879 1.00 0.00 H ATOM 277 HE3 LYS A 14 105.673 -7.684 -7.726 1.00 0.00 H ATOM 278 HZ1 LYS A 14 105.814 -7.911 -10.679 1.00 0.00 H ATOM 279 HZ2 LYS A 14 106.958 -8.515 -9.578 1.00 0.00 H ATOM 280 HZ3 LYS A 14 105.382 -9.150 -9.599 1.00 0.00 H ATOM 281 H LYS A 14 106.492 -2.203 -8.889 1.00 0.00 H ATOM 282 N PHE A 15 103.632 -1.521 -6.662 1.00 0.00 N ATOM 283 CA PHE A 15 103.576 -0.834 -5.431 1.00 0.00 C ATOM 284 C PHE A 15 102.748 -1.698 -4.529 1.00 0.00 C ATOM 285 O PHE A 15 101.573 -1.964 -4.807 1.00 0.00 O ATOM 286 CB PHE A 15 102.933 0.539 -5.673 1.00 0.00 C ATOM 287 CG PHE A 15 102.737 1.439 -4.471 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.410 1.235 -3.275 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.874 2.507 -4.567 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.217 2.087 -2.200 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.672 3.363 -3.505 1.00 0.00 C ATOM 292 CZ PHE A 15 102.342 3.156 -2.319 1.00 0.00 C ATOM 293 HA PHE A 15 104.553 -0.657 -4.982 1.00 0.00 H ATOM 294 HB2 PHE A 15 103.563 1.075 -6.383 1.00 0.00 H ATOM 295 HB3 PHE A 15 101.952 0.367 -6.116 1.00 0.00 H ATOM 296 HD2 PHE A 15 101.340 2.680 -5.501 1.00 0.00 H ATOM 297 HE2 PHE A 15 100.983 4.202 -3.604 1.00 0.00 H ATOM 298 HZ PHE A 15 102.185 3.830 -1.477 1.00 0.00 H ATOM 299 HE1 PHE A 15 103.751 1.918 -1.265 1.00 0.00 H ATOM 300 HD1 PHE A 15 104.098 0.395 -3.180 1.00 0.00 H ATOM 301 H PHE A 15 102.776 -1.534 -7.253 1.00 0.00 H ATOM 302 N ILE A 16 103.360 -2.187 -3.516 1.00 0.00 N ATOM 303 CA ILE A 16 102.741 -3.099 -2.618 1.00 0.00 C ATOM 304 C ILE A 16 102.845 -2.617 -1.206 1.00 0.00 C ATOM 305 O ILE A 16 103.736 -1.835 -0.859 1.00 0.00 O ATOM 306 CB ILE A 16 103.270 -4.580 -2.727 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.824 -4.692 -2.736 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.665 -5.301 -3.917 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.506 -4.281 -4.041 1.00 0.00 C ATOM 310 HA ILE A 16 101.694 -3.129 -2.921 1.00 0.00 H ATOM 311 HB ILE A 16 102.937 -5.076 -1.815 1.00 0.00 H ATOM 312 HG12 ILE A 16 105.211 -4.056 -1.940 1.00 0.00 H ATOM 313 HG13 ILE A 16 105.087 -5.730 -2.531 1.00 0.00 H ATOM 314 HD11 ILE A 16 105.147 -4.914 -4.852 1.00 0.00 H ATOM 315 HD12 ILE A 16 105.271 -3.239 -4.260 1.00 0.00 H ATOM 316 HD13 ILE A 16 106.585 -4.397 -3.938 1.00 0.00 H ATOM 317 HG21 ILE A 16 101.581 -5.329 -3.811 1.00 0.00 H ATOM 318 HG22 ILE A 16 102.928 -4.772 -4.833 1.00 0.00 H ATOM 319 HG23 ILE A 16 103.053 -6.319 -3.959 1.00 0.00 H ATOM 320 H ILE A 16 104.347 -1.907 -3.344 1.00 0.00 H ATOM 321 N HIS A 17 101.903 -3.018 -0.423 1.00 0.00 N ATOM 322 CA HIS A 17 101.876 -2.704 0.966 1.00 0.00 C ATOM 323 C HIS A 17 101.714 -4.021 1.699 1.00 0.00 C ATOM 324 O HIS A 17 100.616 -4.581 1.781 1.00 0.00 O ATOM 325 CB HIS A 17 100.722 -1.740 1.227 1.00 0.00 C ATOM 326 CG HIS A 17 100.620 -1.196 2.616 1.00 0.00 C ATOM 327 ND1 HIS A 17 99.430 -0.871 3.219 1.00 0.00 N ATOM 328 CD2 HIS A 17 101.581 -0.829 3.476 1.00 0.00 C ATOM 329 CE1 HIS A 17 99.701 -0.318 4.395 1.00 0.00 C ATOM 330 NE2 HIS A 17 100.999 -0.266 4.601 1.00 0.00 N ATOM 331 HA HIS A 17 102.785 -2.211 1.311 1.00 0.00 H ATOM 332 HB2 HIS A 17 100.832 -0.896 0.546 1.00 0.00 H ATOM 333 HB3 HIS A 17 99.793 -2.265 1.006 1.00 0.00 H ATOM 334 HD2 HIS A 17 102.652 -0.954 3.316 1.00 0.00 H ATOM 335 HE1 HIS A 17 98.949 0.044 5.096 1.00 0.00 H ATOM 336 H HIS A 17 101.133 -3.593 -0.821 1.00 0.00 H ATOM 337 N THR A 18 102.800 -4.519 2.190 1.00 0.00 N ATOM 338 CA THR A 18 102.841 -5.846 2.770 1.00 0.00 C ATOM 339 C THR A 18 103.369 -5.802 4.209 1.00 0.00 C ATOM 340 O THR A 18 104.256 -5.039 4.524 1.00 0.00 O ATOM 341 CB THR A 18 103.696 -6.819 1.877 1.00 0.00 C ATOM 342 OG1 THR A 18 103.591 -8.167 2.353 1.00 0.00 O ATOM 343 CG2 THR A 18 105.168 -6.419 1.844 1.00 0.00 C ATOM 344 HA THR A 18 101.822 -6.233 2.805 1.00 0.00 H ATOM 345 HB THR A 18 103.295 -6.750 0.866 1.00 0.00 H ATOM 346 HG1 THR A 18 104.135 -8.762 1.779 1.00 0.00 H ATOM 347 HG23 THR A 18 105.257 -5.394 1.483 1.00 0.00 H ATOM 348 HG21 THR A 18 105.585 -6.489 2.849 1.00 0.00 H ATOM 349 HG22 THR A 18 105.710 -7.089 1.177 1.00 0.00 H ATOM 350 H THR A 18 103.671 -3.951 2.168 1.00 0.00 H ATOM 351 N LYS A 19 102.796 -6.600 5.059 1.00 0.00 N ATOM 352 CA LYS A 19 103.171 -6.647 6.452 1.00 0.00 C ATOM 353 C LYS A 19 104.338 -7.617 6.666 1.00 0.00 C ATOM 354 O LYS A 19 104.306 -8.768 6.199 1.00 0.00 O ATOM 355 CB LYS A 19 101.911 -7.041 7.274 1.00 0.00 C ATOM 356 CG LYS A 19 102.035 -7.216 8.811 1.00 0.00 C ATOM 357 CD LYS A 19 102.774 -8.500 9.211 1.00 0.00 C ATOM 358 CE LYS A 19 102.426 -8.958 10.611 1.00 0.00 C ATOM 359 NZ LYS A 19 101.002 -9.301 10.746 1.00 0.00 N ATOM 360 HA LYS A 19 103.523 -5.673 6.791 1.00 0.00 H ATOM 361 HB2 LYS A 19 101.162 -6.268 7.100 1.00 0.00 H ATOM 362 HB3 LYS A 19 101.552 -7.989 6.873 1.00 0.00 H ATOM 363 HG2 LYS A 19 102.578 -6.362 9.215 1.00 0.00 H ATOM 364 HG3 LYS A 19 101.033 -7.244 9.240 1.00 0.00 H ATOM 365 HD2 LYS A 19 102.508 -9.290 8.508 1.00 0.00 H ATOM 366 HD3 LYS A 19 103.847 -8.316 9.160 1.00 0.00 H ATOM 367 HE2 LYS A 19 102.662 -8.157 11.312 1.00 0.00 H ATOM 368 HE3 LYS A 19 103.023 -9.837 10.852 1.00 0.00 H ATOM 369 HZ1 LYS A 19 100.423 -8.466 10.526 1.00 0.00 H ATOM 370 HZ2 LYS A 19 100.768 -10.070 10.086 1.00 0.00 H ATOM 371 HZ3 LYS A 19 100.812 -9.609 11.721 1.00 0.00 H ATOM 372 H LYS A 19 102.039 -7.229 4.723 1.00 0.00 H ATOM 373 N LEU A 20 105.348 -7.160 7.375 1.00 0.00 N ATOM 374 CA LEU A 20 106.456 -7.993 7.750 1.00 0.00 C ATOM 375 C LEU A 20 106.438 -8.110 9.215 1.00 0.00 C ATOM 376 O LEU A 20 106.395 -7.091 9.944 1.00 0.00 O ATOM 377 CB LEU A 20 107.807 -7.445 7.293 1.00 0.00 C ATOM 378 CG LEU A 20 108.500 -8.164 6.132 1.00 0.00 C ATOM 379 CD1 LEU A 20 107.593 -8.362 4.951 1.00 0.00 C ATOM 380 CD2 LEU A 20 109.731 -7.404 5.723 1.00 0.00 C ATOM 381 HA LEU A 20 106.343 -8.960 7.259 1.00 0.00 H ATOM 382 HB2 LEU A 20 107.656 -6.408 6.993 1.00 0.00 H ATOM 383 HB3 LEU A 20 108.481 -7.479 8.149 1.00 0.00 H ATOM 384 HG LEU A 20 108.780 -9.157 6.485 1.00 0.00 H ATOM 385 HD21 LEU A 20 109.448 -6.400 5.408 1.00 0.00 H ATOM 386 HD22 LEU A 20 110.416 -7.342 6.569 1.00 0.00 H ATOM 387 HD23 LEU A 20 110.218 -7.922 4.897 1.00 0.00 H ATOM 388 HD11 LEU A 20 106.733 -8.961 5.251 1.00 0.00 H ATOM 389 HD12 LEU A 20 107.253 -7.392 4.589 1.00 0.00 H ATOM 390 HD13 LEU A 20 108.137 -8.876 4.159 1.00 0.00 H ATOM 391 H LEU A 20 105.344 -6.164 7.673 1.00 0.00 H ATOM 392 N ARG A 21 106.384 -9.296 9.668 1.00 0.00 N ATOM 393 CA ARG A 21 106.373 -9.522 11.041 1.00 0.00 C ATOM 394 C ARG A 21 107.799 -9.573 11.539 1.00 0.00 C ATOM 395 O ARG A 21 108.568 -10.400 11.074 1.00 0.00 O ATOM 396 CB ARG A 21 105.662 -10.831 11.350 1.00 0.00 C ATOM 397 CG ARG A 21 105.299 -10.972 12.803 1.00 0.00 C ATOM 398 CD ARG A 21 104.566 -12.252 13.075 1.00 0.00 C ATOM 399 NE ARG A 21 103.965 -12.229 14.410 1.00 0.00 N ATOM 400 CZ ARG A 21 103.564 -13.288 15.104 1.00 0.00 C ATOM 401 NH1 ARG A 21 103.761 -14.517 14.637 1.00 0.00 N ATOM 402 NH2 ARG A 21 102.966 -13.118 16.271 1.00 0.00 N ATOM 403 HA ARG A 21 105.839 -8.715 11.542 1.00 0.00 H ATOM 404 HB2 ARG A 21 104.749 -10.879 10.757 1.00 0.00 H ATOM 405 HB3 ARG A 21 106.318 -11.657 11.073 1.00 0.00 H ATOM 406 HG2 ARG A 21 106.212 -10.955 13.398 1.00 0.00 H ATOM 407 HG3 ARG A 21 104.664 -10.134 13.091 1.00 0.00 H ATOM 408 HD2 ARG A 21 105.265 -13.086 13.011 1.00 0.00 H ATOM 409 HD3 ARG A 21 103.780 -12.380 12.330 1.00 0.00 H ATOM 410 HE ARG A 21 103.841 -11.298 14.856 1.00 0.00 H ATOM 411 HH12 ARG A 21 103.443 -15.340 15.188 1.00 0.00 H ATOM 412 HH11 ARG A 21 104.233 -14.656 13.721 1.00 0.00 H ATOM 413 HH22 ARG A 21 102.650 -13.944 16.819 1.00 0.00 H ATOM 414 HH21 ARG A 21 102.812 -12.159 16.641 1.00 0.00 H ATOM 415 H ARG A 21 106.348 -10.101 9.010 1.00 0.00 H ATOM 416 N LYS A 22 108.165 -8.606 12.390 1.00 0.00 N ATOM 417 CA LYS A 22 109.406 -8.609 13.129 1.00 0.00 C ATOM 418 C LYS A 22 109.628 -9.959 13.707 1.00 0.00 C ATOM 419 O LYS A 22 109.006 -10.300 14.733 1.00 0.00 O ATOM 420 CB LYS A 22 109.312 -7.624 14.280 1.00 0.00 C ATOM 421 CG LYS A 22 109.882 -6.274 14.004 1.00 0.00 C ATOM 422 CD LYS A 22 109.203 -5.530 12.854 1.00 0.00 C ATOM 423 CE LYS A 22 107.800 -5.061 13.188 1.00 0.00 C ATOM 424 NZ LYS A 22 107.760 -3.896 14.107 1.00 0.00 N ATOM 425 HA LYS A 22 110.221 -8.337 12.458 1.00 0.00 H ATOM 426 HB2 LYS A 22 108.259 -7.501 14.535 1.00 0.00 H ATOM 427 HB3 LYS A 22 109.844 -8.048 15.132 1.00 0.00 H ATOM 428 HG2 LYS A 22 109.785 -5.671 14.907 1.00 0.00 H ATOM 429 HG3 LYS A 22 110.938 -6.392 13.759 1.00 0.00 H ATOM 430 HD2 LYS A 22 109.808 -4.659 12.600 1.00 0.00 H ATOM 431 HD3 LYS A 22 109.149 -6.197 11.994 1.00 0.00 H ATOM 432 HE2 LYS A 22 107.264 -5.887 13.656 1.00 0.00 H ATOM 433 HE3 LYS A 22 107.300 -4.784 12.260 1.00 0.00 H ATOM 434 HZ1 LYS A 22 108.224 -4.147 15.003 1.00 0.00 H ATOM 435 HZ2 LYS A 22 108.258 -3.094 13.670 1.00 0.00 H ATOM 436 HZ3 LYS A 22 106.770 -3.633 14.289 1.00 0.00 H ATOM 437 H LYS A 22 107.517 -7.805 12.527 1.00 0.00 H ATOM 438 N SER A 23 110.495 -10.698 13.071 1.00 0.00 N ATOM 439 CA SER A 23 110.741 -12.059 13.407 1.00 0.00 C ATOM 440 C SER A 23 112.210 -12.230 13.716 1.00 0.00 C ATOM 441 O SER A 23 113.059 -11.682 13.019 1.00 0.00 O ATOM 442 CB SER A 23 110.313 -12.958 12.230 1.00 0.00 C ATOM 443 OG SER A 23 110.373 -14.338 12.563 1.00 0.00 O ATOM 444 HA SER A 23 110.164 -12.346 14.286 1.00 0.00 H ATOM 445 HB2 SER A 23 110.976 -12.771 11.385 1.00 0.00 H ATOM 446 HB3 SER A 23 109.290 -12.708 11.950 1.00 0.00 H ATOM 447 HG SER A 23 110.091 -14.877 11.782 1.00 0.00 H ATOM 448 H SER A 23 111.029 -10.275 12.285 1.00 0.00 H ATOM 449 N SER A 24 112.491 -12.963 14.793 1.00 0.00 N ATOM 450 CA SER A 24 113.847 -13.222 15.277 1.00 0.00 C ATOM 451 C SER A 24 114.658 -11.931 15.532 1.00 0.00 C ATOM 452 O SER A 24 115.891 -11.934 15.443 1.00 0.00 O ATOM 453 CB SER A 24 114.574 -14.160 14.332 1.00 0.00 C ATOM 454 OG SER A 24 113.835 -15.378 14.162 1.00 0.00 O ATOM 455 HA SER A 24 113.752 -13.707 16.248 1.00 0.00 H ATOM 456 HB2 SER A 24 115.557 -14.391 14.742 1.00 0.00 H ATOM 457 HB3 SER A 24 114.691 -13.674 13.364 1.00 0.00 H ATOM 458 HG SER A 24 114.324 -15.976 13.543 1.00 0.00 H ATOM 459 H SER A 24 111.697 -13.377 15.322 1.00 0.00 H ATOM 460 N ARG A 25 113.933 -10.851 15.867 1.00 0.00 N ATOM 461 CA ARG A 25 114.464 -9.561 16.217 1.00 0.00 C ATOM 462 C ARG A 25 114.882 -8.853 14.940 1.00 0.00 C ATOM 463 O ARG A 25 115.910 -9.163 14.324 1.00 0.00 O ATOM 464 CB ARG A 25 115.600 -9.678 17.281 1.00 0.00 C ATOM 465 CG ARG A 25 115.784 -8.471 18.186 1.00 0.00 C ATOM 466 CD ARG A 25 116.150 -7.254 17.398 1.00 0.00 C ATOM 467 NE ARG A 25 117.421 -7.400 16.674 1.00 0.00 N ATOM 468 CZ ARG A 25 117.719 -6.751 15.541 1.00 0.00 C ATOM 469 NH1 ARG A 25 116.902 -5.802 15.097 1.00 0.00 N ATOM 470 NH2 ARG A 25 118.839 -7.023 14.880 1.00 0.00 N ATOM 471 HA ARG A 25 113.701 -8.952 16.702 1.00 0.00 H ATOM 472 HB2 ARG A 25 115.381 -10.539 17.912 1.00 0.00 H ATOM 473 HB3 ARG A 25 116.538 -9.846 16.752 1.00 0.00 H ATOM 474 HG2 ARG A 25 114.853 -8.282 18.720 1.00 0.00 H ATOM 475 HG3 ARG A 25 116.577 -8.682 18.903 1.00 0.00 H ATOM 476 HD2 ARG A 25 116.234 -6.409 18.082 1.00 0.00 H ATOM 477 HD3 ARG A 25 115.359 -7.057 16.675 1.00 0.00 H ATOM 478 HE ARG A 25 118.134 -8.048 17.066 1.00 0.00 H ATOM 479 HH12 ARG A 25 117.125 -5.293 14.218 1.00 0.00 H ATOM 480 HH11 ARG A 25 116.039 -5.568 15.628 1.00 0.00 H ATOM 481 HH22 ARG A 25 119.061 -6.513 14.001 1.00 0.00 H ATOM 482 HH21 ARG A 25 119.494 -7.746 15.241 1.00 0.00 H ATOM 483 H ARG A 25 112.898 -10.957 15.874 1.00 0.00 H ATOM 484 N GLY A 26 114.053 -7.930 14.534 1.00 0.00 N ATOM 485 CA GLY A 26 114.286 -7.229 13.322 1.00 0.00 C ATOM 486 C GLY A 26 113.570 -7.889 12.199 1.00 0.00 C ATOM 487 O GLY A 26 112.408 -8.342 12.356 1.00 0.00 O ATOM 488 HA3 GLY A 26 115.355 -7.220 13.111 1.00 0.00 H ATOM 489 HA2 GLY A 26 113.928 -6.204 13.424 1.00 0.00 H ATOM 490 H GLY A 26 113.213 -7.706 15.105 1.00 0.00 H ATOM 491 N PHE A 27 114.233 -7.996 11.103 1.00 0.00 N ATOM 492 CA PHE A 27 113.631 -8.474 9.920 1.00 0.00 C ATOM 493 C PHE A 27 114.366 -9.662 9.340 1.00 0.00 C ATOM 494 O PHE A 27 114.015 -10.812 9.615 1.00 0.00 O ATOM 495 CB PHE A 27 113.581 -7.333 8.916 1.00 0.00 C ATOM 496 CG PHE A 27 112.612 -6.265 9.272 1.00 0.00 C ATOM 497 CD1 PHE A 27 111.261 -6.419 9.033 1.00 0.00 C ATOM 498 CD2 PHE A 27 113.050 -5.113 9.854 1.00 0.00 C ATOM 499 CE1 PHE A 27 110.374 -5.429 9.379 1.00 0.00 C ATOM 500 CE2 PHE A 27 112.177 -4.128 10.196 1.00 0.00 C ATOM 501 CZ PHE A 27 110.839 -4.276 9.967 1.00 0.00 C ATOM 502 HA PHE A 27 112.625 -8.821 10.155 1.00 0.00 H ATOM 503 HB2 PHE A 27 114.574 -6.889 8.850 1.00 0.00 H ATOM 504 HB3 PHE A 27 113.302 -7.741 7.945 1.00 0.00 H ATOM 505 HD2 PHE A 27 114.114 -4.979 10.048 1.00 0.00 H ATOM 506 HE2 PHE A 27 112.548 -3.213 10.657 1.00 0.00 H ATOM 507 HZ PHE A 27 110.144 -3.485 10.249 1.00 0.00 H ATOM 508 HE1 PHE A 27 109.308 -5.556 9.189 1.00 0.00 H ATOM 509 HD1 PHE A 27 110.895 -7.334 8.566 1.00 0.00 H ATOM 510 H PHE A 27 115.237 -7.724 11.088 1.00 0.00 H ATOM 511 N GLY A 28 115.394 -9.405 8.611 1.00 0.00 N ATOM 512 CA GLY A 28 116.006 -10.429 7.838 1.00 0.00 C ATOM 513 C GLY A 28 115.964 -10.072 6.369 1.00 0.00 C ATOM 514 O GLY A 28 115.404 -10.800 5.544 1.00 0.00 O ATOM 515 HA3 GLY A 28 115.473 -11.367 7.996 1.00 0.00 H ATOM 516 HA2 GLY A 28 117.044 -10.545 8.151 1.00 0.00 H ATOM 517 H GLY A 28 115.781 -8.440 8.587 1.00 0.00 H ATOM 518 N PHE A 29 116.499 -8.931 6.055 1.00 0.00 N ATOM 519 CA PHE A 29 116.675 -8.483 4.698 1.00 0.00 C ATOM 520 C PHE A 29 117.706 -7.402 4.704 1.00 0.00 C ATOM 521 O PHE A 29 117.803 -6.646 5.656 1.00 0.00 O ATOM 522 CB PHE A 29 115.350 -8.041 3.995 1.00 0.00 C ATOM 523 CG PHE A 29 114.630 -6.834 4.544 1.00 0.00 C ATOM 524 CD1 PHE A 29 115.064 -5.564 4.237 1.00 0.00 C ATOM 525 CD2 PHE A 29 113.491 -6.972 5.311 1.00 0.00 C ATOM 526 CE1 PHE A 29 114.382 -4.449 4.685 1.00 0.00 C ATOM 527 CE2 PHE A 29 112.812 -5.859 5.768 1.00 0.00 C ATOM 528 CZ PHE A 29 113.257 -4.599 5.453 1.00 0.00 C ATOM 529 HA PHE A 29 117.014 -9.326 4.096 1.00 0.00 H ATOM 530 HB2 PHE A 29 115.589 -7.831 2.953 1.00 0.00 H ATOM 531 HB3 PHE A 29 114.659 -8.882 4.045 1.00 0.00 H ATOM 532 HD2 PHE A 29 113.124 -7.968 5.558 1.00 0.00 H ATOM 533 HE2 PHE A 29 111.919 -5.982 6.381 1.00 0.00 H ATOM 534 HZ PHE A 29 112.718 -3.722 5.812 1.00 0.00 H ATOM 535 HE1 PHE A 29 114.738 -3.451 4.428 1.00 0.00 H ATOM 536 HD1 PHE A 29 115.961 -5.436 3.630 1.00 0.00 H ATOM 537 H PHE A 29 116.817 -8.308 6.824 1.00 0.00 H ATOM 538 N THR A 30 118.507 -7.348 3.717 1.00 0.00 N ATOM 539 CA THR A 30 119.486 -6.340 3.674 1.00 0.00 C ATOM 540 C THR A 30 119.120 -5.351 2.639 1.00 0.00 C ATOM 541 O THR A 30 118.723 -5.694 1.498 1.00 0.00 O ATOM 542 CB THR A 30 120.895 -6.928 3.509 1.00 0.00 C ATOM 543 OG1 THR A 30 120.936 -7.805 2.365 1.00 0.00 O ATOM 544 CG2 THR A 30 121.256 -7.739 4.734 1.00 0.00 C ATOM 545 HA THR A 30 119.519 -5.812 4.627 1.00 0.00 H ATOM 546 HB THR A 30 121.598 -6.106 3.375 1.00 0.00 H ATOM 547 HG1 THR A 30 120.289 -8.543 2.493 1.00 0.00 H ATOM 548 HG23 THR A 30 121.232 -7.096 5.614 1.00 0.00 H ATOM 549 HG21 THR A 30 120.538 -8.550 4.855 1.00 0.00 H ATOM 550 HG22 THR A 30 122.257 -8.153 4.612 1.00 0.00 H ATOM 551 H THR A 30 118.438 -8.044 2.948 1.00 0.00 H ATOM 552 N VAL A 31 119.249 -4.145 3.013 1.00 0.00 N ATOM 553 CA VAL A 31 118.751 -3.095 2.269 1.00 0.00 C ATOM 554 C VAL A 31 119.759 -1.970 2.174 1.00 0.00 C ATOM 555 O VAL A 31 120.397 -1.616 3.144 1.00 0.00 O ATOM 556 CB VAL A 31 117.383 -2.665 2.881 1.00 0.00 C ATOM 557 CG1 VAL A 31 117.433 -2.526 4.389 1.00 0.00 C ATOM 558 CG2 VAL A 31 116.928 -1.409 2.328 1.00 0.00 C ATOM 559 HA VAL A 31 118.574 -3.401 1.238 1.00 0.00 H ATOM 560 HB VAL A 31 116.688 -3.464 2.624 1.00 0.00 H ATOM 561 HG11 VAL A 31 117.711 -3.482 4.832 1.00 0.00 H ATOM 562 HG12 VAL A 31 118.172 -1.771 4.659 1.00 0.00 H ATOM 563 HG13 VAL A 31 116.452 -2.225 4.758 1.00 0.00 H ATOM 564 HG21 VAL A 31 117.662 -0.632 2.542 1.00 0.00 H ATOM 565 HG22 VAL A 31 116.808 -1.511 1.249 1.00 0.00 H ATOM 566 HG23 VAL A 31 115.972 -1.141 2.778 1.00 0.00 H ATOM 567 H VAL A 31 119.744 -3.943 3.905 1.00 0.00 H ATOM 568 N VAL A 32 119.891 -1.438 0.997 1.00 0.00 N ATOM 569 CA VAL A 32 120.822 -0.416 0.716 1.00 0.00 C ATOM 570 C VAL A 32 120.137 0.848 0.337 1.00 0.00 C ATOM 571 O VAL A 32 119.258 0.865 -0.493 1.00 0.00 O ATOM 572 CB VAL A 32 121.837 -0.833 -0.373 1.00 0.00 C ATOM 573 CG1 VAL A 32 122.788 -1.883 0.171 1.00 0.00 C ATOM 574 CG2 VAL A 32 121.098 -1.378 -1.590 1.00 0.00 C ATOM 575 HA VAL A 32 121.383 -0.242 1.634 1.00 0.00 H ATOM 576 HB VAL A 32 122.415 0.042 -0.670 1.00 0.00 H ATOM 577 HG11 VAL A 32 123.328 -1.475 1.025 1.00 0.00 H ATOM 578 HG12 VAL A 32 122.220 -2.759 0.484 1.00 0.00 H ATOM 579 HG13 VAL A 32 123.497 -2.167 -0.607 1.00 0.00 H ATOM 580 HG21 VAL A 32 120.508 -2.246 -1.296 1.00 0.00 H ATOM 581 HG22 VAL A 32 120.439 -0.607 -1.989 1.00 0.00 H ATOM 582 HG23 VAL A 32 121.821 -1.669 -2.352 1.00 0.00 H ATOM 583 H VAL A 32 119.283 -1.781 0.226 1.00 0.00 H ATOM 584 N GLY A 33 120.558 1.891 0.938 1.00 0.00 N ATOM 585 CA GLY A 33 120.009 3.162 0.670 1.00 0.00 C ATOM 586 C GLY A 33 119.805 3.894 1.913 1.00 0.00 C ATOM 587 O GLY A 33 120.620 3.755 2.834 1.00 0.00 O ATOM 588 HA3 GLY A 33 119.052 3.041 0.162 1.00 0.00 H ATOM 589 HA2 GLY A 33 120.691 3.722 0.030 1.00 0.00 H ATOM 590 H GLY A 33 121.321 1.803 1.639 1.00 0.00 H ATOM 591 N GLY A 34 118.746 4.668 1.916 1.00 0.00 N ATOM 592 CA GLY A 34 118.299 5.458 3.037 1.00 0.00 C ATOM 593 C GLY A 34 119.389 6.233 3.632 1.00 0.00 C ATOM 594 O GLY A 34 119.865 5.950 4.716 1.00 0.00 O ATOM 595 HA3 GLY A 34 117.886 4.792 3.795 1.00 0.00 H ATOM 596 HA2 GLY A 34 117.524 6.145 2.697 1.00 0.00 H ATOM 597 H GLY A 34 118.185 4.716 1.042 1.00 0.00 H ATOM 598 N ASP A 35 119.812 7.184 2.923 1.00 0.00 N ATOM 599 CA ASP A 35 120.890 7.966 3.379 1.00 0.00 C ATOM 600 C ASP A 35 120.461 9.360 3.579 1.00 0.00 C ATOM 601 O ASP A 35 120.980 10.064 4.457 1.00 0.00 O ATOM 602 CB ASP A 35 122.040 7.880 2.403 1.00 0.00 C ATOM 603 CG ASP A 35 123.327 8.449 3.005 1.00 0.00 C ATOM 604 OD1 ASP A 35 123.594 9.653 2.877 1.00 0.00 O ATOM 605 OD2 ASP A 35 124.079 7.711 3.666 1.00 0.00 O ATOM 606 HA ASP A 35 121.231 7.581 4.340 1.00 0.00 H ATOM 607 HB2 ASP A 35 122.204 6.835 2.138 1.00 0.00 H ATOM 608 HB3 ASP A 35 121.787 8.446 1.506 1.00 0.00 H ATOM 609 H ASP A 35 119.367 7.390 2.006 1.00 0.00 H ATOM 610 N GLU A 36 119.492 9.764 2.810 1.00 0.00 N ATOM 611 CA GLU A 36 119.085 11.131 2.790 1.00 0.00 C ATOM 612 C GLU A 36 117.721 11.230 2.260 1.00 0.00 C ATOM 613 O GLU A 36 117.209 10.239 1.809 1.00 0.00 O ATOM 614 CB GLU A 36 120.113 11.937 1.998 1.00 0.00 C ATOM 615 CG GLU A 36 120.613 11.255 0.777 1.00 0.00 C ATOM 616 CD GLU A 36 121.507 12.183 0.002 1.00 0.00 C ATOM 617 OE1 GLU A 36 121.063 13.294 -0.322 1.00 0.00 O ATOM 618 OE2 GLU A 36 122.677 11.861 -0.245 1.00 0.00 O ATOM 619 HA GLU A 36 119.052 11.552 3.795 1.00 0.00 H ATOM 620 HB2 GLU A 36 119.653 12.879 1.699 1.00 0.00 H ATOM 621 HB3 GLU A 36 120.963 12.140 2.649 1.00 0.00 H ATOM 622 HG2 GLU A 36 121.175 10.366 1.064 1.00 0.00 H ATOM 623 HG3 GLU A 36 119.768 10.963 0.154 1.00 0.00 H ATOM 624 H GLU A 36 119.005 9.078 2.199 1.00 0.00 H ATOM 625 N PRO A 37 117.099 12.393 2.258 1.00 0.00 N ATOM 626 CA PRO A 37 115.735 12.556 1.738 1.00 0.00 C ATOM 627 C PRO A 37 115.712 12.199 0.266 1.00 0.00 C ATOM 628 O PRO A 37 114.715 11.707 -0.279 1.00 0.00 O ATOM 629 CB PRO A 37 115.515 14.053 1.950 1.00 0.00 C ATOM 630 CG PRO A 37 116.408 14.375 3.087 1.00 0.00 C ATOM 631 CD PRO A 37 117.634 13.669 2.729 1.00 0.00 C ATOM 632 HA PRO A 37 114.976 11.932 2.210 1.00 0.00 H ATOM 633 HD3 PRO A 37 118.179 14.189 1.942 1.00 0.00 H ATOM 634 HD2 PRO A 37 118.285 13.535 3.593 1.00 0.00 H ATOM 635 HG3 PRO A 37 115.999 14.005 4.027 1.00 0.00 H ATOM 636 HG2 PRO A 37 116.578 15.449 3.164 1.00 0.00 H ATOM 637 HB2 PRO A 37 115.796 14.618 1.061 1.00 0.00 H ATOM 638 HB3 PRO A 37 114.475 14.263 2.199 1.00 0.00 H ATOM 639 N ASP A 38 116.873 12.364 -0.302 1.00 0.00 N ATOM 640 CA ASP A 38 117.174 12.142 -1.672 1.00 0.00 C ATOM 641 C ASP A 38 117.494 10.649 -1.972 1.00 0.00 C ATOM 642 O ASP A 38 117.369 10.191 -3.111 1.00 0.00 O ATOM 643 CB ASP A 38 118.339 13.065 -2.028 1.00 0.00 C ATOM 644 CG ASP A 38 118.939 12.839 -3.405 1.00 0.00 C ATOM 645 OD1 ASP A 38 118.329 13.255 -4.410 1.00 0.00 O ATOM 646 OD2 ASP A 38 120.063 12.289 -3.507 1.00 0.00 O ATOM 647 HA ASP A 38 116.306 12.371 -2.291 1.00 0.00 H ATOM 648 HB2 ASP A 38 117.983 14.094 -1.979 1.00 0.00 H ATOM 649 HB3 ASP A 38 119.126 12.918 -1.288 1.00 0.00 H ATOM 650 H ASP A 38 117.653 12.689 0.305 1.00 0.00 H ATOM 651 N GLU A 39 117.876 9.888 -0.959 1.00 0.00 N ATOM 652 CA GLU A 39 118.190 8.493 -1.151 1.00 0.00 C ATOM 653 C GLU A 39 117.319 7.622 -0.253 1.00 0.00 C ATOM 654 O GLU A 39 117.426 7.699 1.004 1.00 0.00 O ATOM 655 CB GLU A 39 119.666 8.239 -0.864 1.00 0.00 C ATOM 656 CG GLU A 39 120.095 6.790 -1.003 1.00 0.00 C ATOM 657 CD GLU A 39 120.028 6.252 -2.428 1.00 0.00 C ATOM 658 OE1 GLU A 39 118.966 6.366 -3.092 1.00 0.00 O ATOM 659 OE2 GLU A 39 121.035 5.711 -2.922 1.00 0.00 O ATOM 660 HA GLU A 39 117.986 8.232 -2.189 1.00 0.00 H ATOM 661 HB2 GLU A 39 120.256 8.837 -1.559 1.00 0.00 H ATOM 662 HB3 GLU A 39 119.874 8.559 0.157 1.00 0.00 H ATOM 663 HG2 GLU A 39 121.123 6.703 -0.652 1.00 0.00 H ATOM 664 HG3 GLU A 39 119.445 6.179 -0.376 1.00 0.00 H ATOM 665 H GLU A 39 117.951 10.303 -0.008 1.00 0.00 H ATOM 666 N PHE A 40 116.540 6.758 -0.925 1.00 0.00 N ATOM 667 CA PHE A 40 115.542 5.810 -0.353 1.00 0.00 C ATOM 668 C PHE A 40 116.217 4.485 -0.128 1.00 0.00 C ATOM 669 O PHE A 40 117.334 4.275 -0.597 1.00 0.00 O ATOM 670 CB PHE A 40 114.367 5.542 -1.315 1.00 0.00 C ATOM 671 CG PHE A 40 113.668 6.730 -1.914 1.00 0.00 C ATOM 672 CD1 PHE A 40 113.338 7.841 -1.155 1.00 0.00 C ATOM 673 CD2 PHE A 40 113.331 6.717 -3.262 1.00 0.00 C ATOM 674 CE1 PHE A 40 112.683 8.914 -1.729 1.00 0.00 C ATOM 675 CE2 PHE A 40 112.675 7.784 -3.838 1.00 0.00 C ATOM 676 CZ PHE A 40 112.351 8.883 -3.073 1.00 0.00 C ATOM 677 HA PHE A 40 115.161 6.258 0.565 1.00 0.00 H ATOM 678 HB2 PHE A 40 114.751 4.941 -2.139 1.00 0.00 H ATOM 679 HB3 PHE A 40 113.621 4.968 -0.766 1.00 0.00 H ATOM 680 HD2 PHE A 40 113.589 5.851 -3.872 1.00 0.00 H ATOM 681 HE2 PHE A 40 112.413 7.758 -4.896 1.00 0.00 H ATOM 682 HZ PHE A 40 111.833 9.728 -3.526 1.00 0.00 H ATOM 683 HE1 PHE A 40 112.428 9.784 -1.124 1.00 0.00 H ATOM 684 HD1 PHE A 40 113.597 7.869 -0.097 1.00 0.00 H ATOM 685 H PHE A 40 116.645 6.750 -1.960 1.00 0.00 H ATOM 686 N LEU A 41 115.589 3.606 0.635 1.00 0.00 N ATOM 687 CA LEU A 41 116.218 2.330 0.905 1.00 0.00 C ATOM 688 C LEU A 41 115.753 1.313 -0.107 1.00 0.00 C ATOM 689 O LEU A 41 114.683 1.431 -0.597 1.00 0.00 O ATOM 690 CB LEU A 41 115.998 1.807 2.310 1.00 0.00 C ATOM 691 CG LEU A 41 116.499 2.616 3.483 1.00 0.00 C ATOM 692 CD1 LEU A 41 115.507 3.704 3.891 1.00 0.00 C ATOM 693 CD2 LEU A 41 116.828 1.687 4.633 1.00 0.00 C ATOM 694 HA LEU A 41 117.292 2.497 0.821 1.00 0.00 H ATOM 695 HB2 LEU A 41 114.923 1.687 2.441 1.00 0.00 H ATOM 696 HB3 LEU A 41 116.480 0.831 2.366 1.00 0.00 H ATOM 697 HG LEU A 41 117.409 3.137 3.185 1.00 0.00 H ATOM 698 HD21 LEU A 41 115.931 1.140 4.924 1.00 0.00 H ATOM 699 HD22 LEU A 41 117.599 0.983 4.320 1.00 0.00 H ATOM 700 HD23 LEU A 41 117.189 2.272 5.479 1.00 0.00 H ATOM 701 HD11 LEU A 41 115.347 4.381 3.052 1.00 0.00 H ATOM 702 HD12 LEU A 41 114.560 3.243 4.173 1.00 0.00 H ATOM 703 HD13 LEU A 41 115.908 4.261 4.738 1.00 0.00 H ATOM 704 H LEU A 41 114.655 3.828 1.036 1.00 0.00 H ATOM 705 N GLN A 42 116.586 0.387 -0.487 1.00 0.00 N ATOM 706 CA GLN A 42 116.219 -0.609 -1.472 1.00 0.00 C ATOM 707 C GLN A 42 116.714 -1.985 -1.043 1.00 0.00 C ATOM 708 O GLN A 42 117.794 -2.110 -0.557 1.00 0.00 O ATOM 709 CB GLN A 42 116.936 -0.269 -2.723 1.00 0.00 C ATOM 710 CG GLN A 42 116.494 -1.071 -3.922 1.00 0.00 C ATOM 711 CD GLN A 42 117.432 -0.963 -5.097 1.00 0.00 C ATOM 712 OE1 GLN A 42 117.313 -0.075 -5.931 1.00 0.00 O ATOM 713 NE2 GLN A 42 118.356 -1.880 -5.187 1.00 0.00 N ATOM 714 HA GLN A 42 115.136 -0.624 -1.592 1.00 0.00 H ATOM 715 HB2 GLN A 42 116.771 0.787 -2.937 1.00 0.00 H ATOM 716 HB3 GLN A 42 118.000 -0.444 -2.567 1.00 0.00 H ATOM 717 HG2 GLN A 42 116.425 -2.119 -3.630 1.00 0.00 H ATOM 718 HG3 GLN A 42 115.511 -0.716 -4.231 1.00 0.00 H ATOM 719 HE22 GLN A 42 118.427 -2.620 -4.459 1.00 0.00 H ATOM 720 HE21 GLN A 42 119.021 -1.871 -5.986 1.00 0.00 H ATOM 721 H GLN A 42 117.539 0.362 -0.072 1.00 0.00 H ATOM 722 N ILE A 43 115.976 -2.999 -1.325 1.00 0.00 N ATOM 723 CA ILE A 43 116.356 -4.359 -0.889 1.00 0.00 C ATOM 724 C ILE A 43 117.407 -4.927 -1.828 1.00 0.00 C ATOM 725 O ILE A 43 117.142 -5.075 -3.031 1.00 0.00 O ATOM 726 CB ILE A 43 115.148 -5.345 -0.851 1.00 0.00 C ATOM 727 CG1 ILE A 43 113.953 -4.718 -0.129 1.00 0.00 C ATOM 728 CG2 ILE A 43 115.544 -6.672 -0.172 1.00 0.00 C ATOM 729 CD1 ILE A 43 114.266 -4.202 1.245 1.00 0.00 C ATOM 730 HA ILE A 43 116.744 -4.261 0.125 1.00 0.00 H ATOM 731 HB ILE A 43 114.858 -5.555 -1.880 1.00 0.00 H ATOM 732 HG12 ILE A 43 113.587 -3.887 -0.732 1.00 0.00 H ATOM 733 HG13 ILE A 43 113.172 -5.473 -0.041 1.00 0.00 H ATOM 734 HD11 ILE A 43 114.622 -5.023 1.868 1.00 0.00 H ATOM 735 HD12 ILE A 43 115.038 -3.435 1.177 1.00 0.00 H ATOM 736 HD13 ILE A 43 113.365 -3.775 1.685 1.00 0.00 H ATOM 737 HG21 ILE A 43 116.358 -7.135 -0.729 1.00 0.00 H ATOM 738 HG22 ILE A 43 115.868 -6.473 0.850 1.00 0.00 H ATOM 739 HG23 ILE A 43 114.684 -7.342 -0.158 1.00 0.00 H ATOM 740 H ILE A 43 115.100 -2.860 -1.867 1.00 0.00 H ATOM 741 N LYS A 44 118.590 -5.253 -1.299 1.00 0.00 N ATOM 742 CA LYS A 44 119.640 -5.776 -2.151 1.00 0.00 C ATOM 743 C LYS A 44 119.794 -7.268 -2.004 1.00 0.00 C ATOM 744 O LYS A 44 120.363 -7.920 -2.872 1.00 0.00 O ATOM 745 CB LYS A 44 120.984 -5.002 -2.030 1.00 0.00 C ATOM 746 CG LYS A 44 121.897 -5.261 -0.808 1.00 0.00 C ATOM 747 CD LYS A 44 122.708 -6.545 -0.992 1.00 0.00 C ATOM 748 CE LYS A 44 123.779 -6.757 0.063 1.00 0.00 C ATOM 749 NZ LYS A 44 123.256 -6.770 1.430 1.00 0.00 N ATOM 750 HA LYS A 44 119.315 -5.599 -3.176 1.00 0.00 H ATOM 751 HB2 LYS A 44 121.568 -5.237 -2.920 1.00 0.00 H ATOM 752 HB3 LYS A 44 120.741 -3.940 -2.027 1.00 0.00 H ATOM 753 HG2 LYS A 44 122.581 -4.421 -0.689 1.00 0.00 H ATOM 754 HG3 LYS A 44 121.279 -5.354 0.085 1.00 0.00 H ATOM 755 HD2 LYS A 44 122.022 -7.391 -0.959 1.00 0.00 H ATOM 756 HD3 LYS A 44 123.191 -6.508 -1.968 1.00 0.00 H ATOM 757 HE2 LYS A 44 124.510 -5.952 -0.020 1.00 0.00 H ATOM 758 HE3 LYS A 44 124.269 -7.712 -0.129 1.00 0.00 H ATOM 759 HZ1 LYS A 44 122.794 -5.860 1.632 1.00 0.00 H ATOM 760 HZ2 LYS A 44 122.564 -7.540 1.528 1.00 0.00 H ATOM 761 HZ3 LYS A 44 124.039 -6.919 2.098 1.00 0.00 H ATOM 762 H LYS A 44 118.757 -5.132 -0.280 1.00 0.00 H ATOM 763 N SER A 45 119.302 -7.808 -0.912 1.00 0.00 N ATOM 764 CA SER A 45 119.261 -9.246 -0.693 1.00 0.00 C ATOM 765 C SER A 45 118.251 -9.526 0.388 1.00 0.00 C ATOM 766 O SER A 45 118.286 -8.883 1.431 1.00 0.00 O ATOM 767 CB SER A 45 120.632 -9.795 -0.230 1.00 0.00 C ATOM 768 OG SER A 45 121.663 -9.509 -1.151 1.00 0.00 O ATOM 769 HA SER A 45 118.997 -9.731 -1.633 1.00 0.00 H ATOM 770 HB2 SER A 45 120.556 -10.876 -0.114 1.00 0.00 H ATOM 771 HB3 SER A 45 120.884 -9.344 0.730 1.00 0.00 H ATOM 772 HG SER A 45 121.745 -8.528 -1.258 1.00 0.00 H ATOM 773 H SER A 45 118.926 -7.181 -0.173 1.00 0.00 H ATOM 774 N LEU A 46 117.329 -10.405 0.158 1.00 0.00 N ATOM 775 CA LEU A 46 116.493 -10.792 1.206 1.00 0.00 C ATOM 776 C LEU A 46 117.119 -11.930 1.960 1.00 0.00 C ATOM 777 O LEU A 46 117.582 -12.908 1.376 1.00 0.00 O ATOM 778 CB LEU A 46 115.021 -11.010 0.814 1.00 0.00 C ATOM 779 CG LEU A 46 114.645 -11.870 -0.392 1.00 0.00 C ATOM 780 CD1 LEU A 46 115.032 -13.315 -0.244 1.00 0.00 C ATOM 781 CD2 LEU A 46 113.183 -11.777 -0.547 1.00 0.00 C ATOM 782 HA LEU A 46 116.412 -9.947 1.890 1.00 0.00 H ATOM 783 HB2 LEU A 46 114.533 -11.459 1.679 1.00 0.00 H ATOM 784 HB3 LEU A 46 114.599 -10.021 0.633 1.00 0.00 H ATOM 785 HG LEU A 46 115.188 -11.498 -1.261 1.00 0.00 H ATOM 786 HD21 LEU A 46 112.699 -12.147 0.357 1.00 0.00 H ATOM 787 HD22 LEU A 46 112.902 -10.737 -0.712 1.00 0.00 H ATOM 788 HD23 LEU A 46 112.870 -12.379 -1.400 1.00 0.00 H ATOM 789 HD11 LEU A 46 116.112 -13.389 -0.114 1.00 0.00 H ATOM 790 HD12 LEU A 46 114.530 -13.737 0.627 1.00 0.00 H ATOM 791 HD13 LEU A 46 114.734 -13.863 -1.138 1.00 0.00 H ATOM 792 H LEU A 46 117.213 -10.815 -0.791 1.00 0.00 H ATOM 793 N VAL A 47 117.199 -11.774 3.224 1.00 0.00 N ATOM 794 CA VAL A 47 117.828 -12.734 4.054 1.00 0.00 C ATOM 795 C VAL A 47 116.847 -13.864 4.295 1.00 0.00 C ATOM 796 O VAL A 47 115.684 -13.632 4.643 1.00 0.00 O ATOM 797 CB VAL A 47 118.291 -12.104 5.408 1.00 0.00 C ATOM 798 CG1 VAL A 47 118.915 -13.139 6.299 1.00 0.00 C ATOM 799 CG2 VAL A 47 119.265 -10.935 5.193 1.00 0.00 C ATOM 800 HA VAL A 47 118.723 -13.111 3.560 1.00 0.00 H ATOM 801 HB VAL A 47 117.399 -11.711 5.896 1.00 0.00 H ATOM 802 HG11 VAL A 47 118.187 -13.923 6.509 1.00 0.00 H ATOM 803 HG12 VAL A 47 119.782 -13.571 5.800 1.00 0.00 H ATOM 804 HG13 VAL A 47 119.227 -12.672 7.233 1.00 0.00 H ATOM 805 HG21 VAL A 47 120.148 -11.292 4.663 1.00 0.00 H ATOM 806 HG22 VAL A 47 118.775 -10.159 4.605 1.00 0.00 H ATOM 807 HG23 VAL A 47 119.561 -10.528 6.160 1.00 0.00 H ATOM 808 H VAL A 47 116.792 -10.920 3.656 1.00 0.00 H ATOM 809 N LEU A 48 117.290 -15.061 4.034 1.00 0.00 N ATOM 810 CA LEU A 48 116.492 -16.239 4.254 1.00 0.00 C ATOM 811 C LEU A 48 116.229 -16.371 5.722 1.00 0.00 C ATOM 812 O LEU A 48 117.161 -16.190 6.533 1.00 0.00 O ATOM 813 CB LEU A 48 117.196 -17.455 3.669 1.00 0.00 C ATOM 814 CG LEU A 48 117.460 -17.362 2.158 1.00 0.00 C ATOM 815 CD1 LEU A 48 118.257 -18.545 1.674 1.00 0.00 C ATOM 816 CD2 LEU A 48 116.149 -17.256 1.383 1.00 0.00 C ATOM 817 HA LEU A 48 115.530 -16.160 3.747 1.00 0.00 H ATOM 818 HB2 LEU A 48 118.153 -17.574 4.177 1.00 0.00 H ATOM 819 HB3 LEU A 48 116.576 -18.332 3.855 1.00 0.00 H ATOM 820 HG LEU A 48 118.043 -16.459 1.979 1.00 0.00 H ATOM 821 HD21 LEU A 48 115.540 -18.138 1.580 1.00 0.00 H ATOM 822 HD22 LEU A 48 115.611 -16.363 1.702 1.00 0.00 H ATOM 823 HD23 LEU A 48 116.363 -17.191 0.316 1.00 0.00 H ATOM 824 HD11 LEU A 48 119.214 -18.574 2.195 1.00 0.00 H ATOM 825 HD12 LEU A 48 117.703 -19.462 1.876 1.00 0.00 H ATOM 826 HD13 LEU A 48 118.428 -18.452 0.602 1.00 0.00 H ATOM 827 H LEU A 48 118.252 -15.169 3.654 1.00 0.00 H ATOM 828 N ASP A 49 114.949 -16.650 6.051 1.00 0.00 N ATOM 829 CA ASP A 49 114.409 -16.658 7.432 1.00 0.00 C ATOM 830 C ASP A 49 114.004 -15.228 7.837 1.00 0.00 C ATOM 831 O ASP A 49 113.688 -14.915 8.986 1.00 0.00 O ATOM 832 CB ASP A 49 115.378 -17.345 8.411 1.00 0.00 C ATOM 833 CG ASP A 49 114.958 -17.363 9.868 1.00 0.00 C ATOM 834 OD1 ASP A 49 113.970 -18.043 10.225 1.00 0.00 O ATOM 835 OD2 ASP A 49 115.622 -16.712 10.690 1.00 0.00 O ATOM 836 HA ASP A 49 113.503 -17.262 7.472 1.00 0.00 H ATOM 837 HB2 ASP A 49 115.501 -18.379 8.087 1.00 0.00 H ATOM 838 HB3 ASP A 49 116.336 -16.829 8.347 1.00 0.00 H ATOM 839 H ASP A 49 114.292 -16.876 5.277 1.00 0.00 H ATOM 840 N GLY A 50 113.996 -14.377 6.849 1.00 0.00 N ATOM 841 CA GLY A 50 113.533 -13.027 6.988 1.00 0.00 C ATOM 842 C GLY A 50 112.087 -12.959 6.649 1.00 0.00 C ATOM 843 O GLY A 50 111.660 -13.726 5.817 1.00 0.00 O ATOM 844 HA3 GLY A 50 114.095 -12.379 6.315 1.00 0.00 H ATOM 845 HA2 GLY A 50 113.681 -12.696 8.016 1.00 0.00 H ATOM 846 H GLY A 50 114.341 -14.691 5.919 1.00 0.00 H ATOM 847 N PRO A 51 111.304 -11.987 7.135 1.00 0.00 N ATOM 848 CA PRO A 51 109.890 -12.039 6.970 1.00 0.00 C ATOM 849 C PRO A 51 109.513 -11.765 5.524 1.00 0.00 C ATOM 850 O PRO A 51 108.508 -12.221 5.058 1.00 0.00 O ATOM 851 CB PRO A 51 109.342 -11.047 8.007 1.00 0.00 C ATOM 852 CG PRO A 51 110.491 -10.170 8.388 1.00 0.00 C ATOM 853 CD PRO A 51 111.717 -10.690 7.682 1.00 0.00 C ATOM 854 HA PRO A 51 109.449 -13.019 7.153 1.00 0.00 H ATOM 855 HD3 PRO A 51 112.018 -10.013 6.883 1.00 0.00 H ATOM 856 HD2 PRO A 51 112.543 -10.812 8.383 1.00 0.00 H ATOM 857 HG3 PRO A 51 110.642 -10.202 9.467 1.00 0.00 H ATOM 858 HG2 PRO A 51 110.293 -9.143 8.081 1.00 0.00 H ATOM 859 HB2 PRO A 51 108.538 -10.452 7.574 1.00 0.00 H ATOM 860 HB3 PRO A 51 108.967 -11.581 8.880 1.00 0.00 H ATOM 861 N ALA A 52 110.387 -11.043 4.822 1.00 0.00 N ATOM 862 CA ALA A 52 110.258 -10.804 3.393 1.00 0.00 C ATOM 863 C ALA A 52 110.348 -12.136 2.649 1.00 0.00 C ATOM 864 O ALA A 52 109.500 -12.462 1.825 1.00 0.00 O ATOM 865 CB ALA A 52 111.386 -9.897 2.932 1.00 0.00 C ATOM 866 HA ALA A 52 109.298 -10.331 3.186 1.00 0.00 H ATOM 867 HB1 ALA A 52 111.330 -8.949 3.468 1.00 0.00 H ATOM 868 HB2 ALA A 52 112.343 -10.376 3.138 1.00 0.00 H ATOM 869 HB3 ALA A 52 111.291 -9.717 1.861 1.00 0.00 H ATOM 870 H ALA A 52 111.201 -10.630 5.321 1.00 0.00 H ATOM 871 N ALA A 53 111.352 -12.926 3.034 1.00 0.00 N ATOM 872 CA ALA A 53 111.647 -14.226 2.433 1.00 0.00 C ATOM 873 C ALA A 53 110.486 -15.156 2.633 1.00 0.00 C ATOM 874 O ALA A 53 110.032 -15.859 1.733 1.00 0.00 O ATOM 875 CB ALA A 53 112.867 -14.829 3.137 1.00 0.00 C ATOM 876 HA ALA A 53 111.837 -14.094 1.368 1.00 0.00 H ATOM 877 HB1 ALA A 53 113.721 -14.163 3.016 1.00 0.00 H ATOM 878 HB2 ALA A 53 112.649 -14.952 4.198 1.00 0.00 H ATOM 879 HB3 ALA A 53 113.096 -15.799 2.697 1.00 0.00 H ATOM 880 H ALA A 53 111.962 -12.597 3.809 1.00 0.00 H ATOM 881 N LEU A 54 110.044 -15.144 3.829 1.00 0.00 N ATOM 882 CA LEU A 54 109.036 -15.983 4.323 1.00 0.00 C ATOM 883 C LEU A 54 107.656 -15.654 3.830 1.00 0.00 C ATOM 884 O LEU A 54 106.902 -16.534 3.403 1.00 0.00 O ATOM 885 CB LEU A 54 109.132 -15.892 5.744 1.00 0.00 C ATOM 886 CG LEU A 54 110.512 -16.304 6.215 1.00 0.00 C ATOM 887 CD1 LEU A 54 110.517 -16.124 7.584 1.00 0.00 C ATOM 888 CD2 LEU A 54 110.854 -17.748 5.854 1.00 0.00 C ATOM 889 HA LEU A 54 109.189 -16.999 3.960 1.00 0.00 H ATOM 890 HB2 LEU A 54 108.941 -14.864 6.051 1.00 0.00 H ATOM 891 HB3 LEU A 54 108.389 -16.549 6.196 1.00 0.00 H ATOM 892 HG LEU A 54 111.272 -15.699 5.721 1.00 0.00 H ATOM 893 HD21 LEU A 54 110.130 -18.418 6.317 1.00 0.00 H ATOM 894 HD22 LEU A 54 110.822 -17.868 4.771 1.00 0.00 H ATOM 895 HD23 LEU A 54 111.854 -17.985 6.217 1.00 0.00 H ATOM 896 HD11 LEU A 54 110.319 -15.077 7.812 1.00 0.00 H ATOM 897 HD12 LEU A 54 109.744 -16.748 8.034 1.00 0.00 H ATOM 898 HD13 LEU A 54 111.491 -16.406 7.983 1.00 0.00 H ATOM 899 H LEU A 54 110.464 -14.459 4.489 1.00 0.00 H ATOM 900 N ASP A 55 107.324 -14.370 3.858 1.00 0.00 N ATOM 901 CA ASP A 55 106.020 -13.891 3.402 1.00 0.00 C ATOM 902 C ASP A 55 105.940 -14.066 1.907 1.00 0.00 C ATOM 903 O ASP A 55 104.865 -14.212 1.329 1.00 0.00 O ATOM 904 CB ASP A 55 105.821 -12.416 3.773 1.00 0.00 C ATOM 905 CG ASP A 55 104.419 -11.930 3.546 1.00 0.00 C ATOM 906 OD1 ASP A 55 103.554 -12.155 4.432 1.00 0.00 O ATOM 907 OD2 ASP A 55 104.138 -11.318 2.504 1.00 0.00 O ATOM 908 HA ASP A 55 105.232 -14.466 3.889 1.00 0.00 H ATOM 909 HB2 ASP A 55 106.065 -12.288 4.828 1.00 0.00 H ATOM 910 HB3 ASP A 55 106.499 -11.813 3.169 1.00 0.00 H ATOM 911 H ASP A 55 108.015 -13.680 4.217 1.00 0.00 H ATOM 912 N GLY A 56 107.116 -14.089 1.300 1.00 0.00 N ATOM 913 CA GLY A 56 107.265 -14.343 -0.130 1.00 0.00 C ATOM 914 C GLY A 56 106.664 -13.304 -1.052 1.00 0.00 C ATOM 915 O GLY A 56 106.696 -13.462 -2.268 1.00 0.00 O ATOM 916 HA3 GLY A 56 106.792 -15.300 -0.351 1.00 0.00 H ATOM 917 HA2 GLY A 56 108.331 -14.408 -0.349 1.00 0.00 H ATOM 918 H GLY A 56 107.971 -13.919 1.867 1.00 0.00 H ATOM 919 N LYS A 57 106.133 -12.261 -0.501 1.00 0.00 N ATOM 920 CA LYS A 57 105.463 -11.252 -1.275 1.00 0.00 C ATOM 921 C LYS A 57 106.293 -9.957 -1.273 1.00 0.00 C ATOM 922 O LYS A 57 105.825 -8.858 -1.585 1.00 0.00 O ATOM 923 CB LYS A 57 104.032 -11.109 -0.727 1.00 0.00 C ATOM 924 CG LYS A 57 103.156 -10.046 -1.377 1.00 0.00 C ATOM 925 CD LYS A 57 101.675 -10.120 -0.966 1.00 0.00 C ATOM 926 CE LYS A 57 101.400 -9.869 0.527 1.00 0.00 C ATOM 927 NZ LYS A 57 101.728 -11.018 1.411 1.00 0.00 N ATOM 928 HA LYS A 57 105.374 -11.525 -2.326 1.00 0.00 H ATOM 929 HB2 LYS A 57 103.533 -12.070 -0.850 1.00 0.00 H ATOM 930 HB3 LYS A 57 104.106 -10.873 0.335 1.00 0.00 H ATOM 931 HG2 LYS A 57 103.541 -9.066 -1.097 1.00 0.00 H ATOM 932 HG3 LYS A 57 103.218 -10.164 -2.459 1.00 0.00 H ATOM 933 HD2 LYS A 57 101.127 -9.374 -1.541 1.00 0.00 H ATOM 934 HD3 LYS A 57 101.304 -11.114 -1.216 1.00 0.00 H ATOM 935 HE2 LYS A 57 100.341 -9.638 0.645 1.00 0.00 H ATOM 936 HE3 LYS A 57 101.995 -9.013 0.845 1.00 0.00 H ATOM 937 HZ1 LYS A 57 101.160 -11.843 1.131 1.00 0.00 H ATOM 938 HZ2 LYS A 57 102.739 -11.245 1.321 1.00 0.00 H ATOM 939 HZ3 LYS A 57 101.514 -10.767 2.397 1.00 0.00 H ATOM 940 H LYS A 57 106.193 -12.149 0.531 1.00 0.00 H ATOM 941 N MET A 58 107.533 -10.139 -0.955 1.00 0.00 N ATOM 942 CA MET A 58 108.530 -9.113 -0.941 1.00 0.00 C ATOM 943 C MET A 58 109.808 -9.796 -1.345 1.00 0.00 C ATOM 944 O MET A 58 110.100 -10.885 -0.850 1.00 0.00 O ATOM 945 CB MET A 58 108.636 -8.491 0.456 1.00 0.00 C ATOM 946 CG MET A 58 109.771 -7.508 0.636 1.00 0.00 C ATOM 947 SD MET A 58 109.826 -6.863 2.321 1.00 0.00 S ATOM 948 CE MET A 58 111.298 -5.870 2.247 1.00 0.00 C ATOM 949 HA MET A 58 108.292 -8.293 -1.619 1.00 0.00 H ATOM 950 HB2 MET A 58 107.702 -7.971 0.666 1.00 0.00 H ATOM 951 HB3 MET A 58 108.771 -9.298 1.176 1.00 0.00 H ATOM 952 HG2 MET A 58 109.634 -6.678 -0.057 1.00 0.00 H ATOM 953 HG3 MET A 58 110.713 -8.011 0.418 1.00 0.00 H ATOM 954 HE1 MET A 58 112.149 -6.502 1.992 1.00 0.00 H ATOM 955 HE2 MET A 58 111.176 -5.098 1.487 1.00 0.00 H ATOM 956 HE3 MET A 58 111.469 -5.403 3.217 1.00 0.00 H ATOM 957 H MET A 58 107.827 -11.101 -0.690 1.00 0.00 H ATOM 958 N GLU A 59 110.529 -9.201 -2.247 1.00 0.00 N ATOM 959 CA GLU A 59 111.695 -9.796 -2.848 1.00 0.00 C ATOM 960 C GLU A 59 112.775 -8.745 -3.021 1.00 0.00 C ATOM 961 O GLU A 59 112.517 -7.544 -2.947 1.00 0.00 O ATOM 962 CB GLU A 59 111.335 -10.385 -4.232 1.00 0.00 C ATOM 963 CG GLU A 59 110.312 -11.519 -4.200 1.00 0.00 C ATOM 964 CD GLU A 59 110.065 -12.122 -5.558 1.00 0.00 C ATOM 965 OE1 GLU A 59 110.771 -13.087 -5.929 1.00 0.00 O ATOM 966 OE2 GLU A 59 109.156 -11.652 -6.288 1.00 0.00 O ATOM 967 HA GLU A 59 112.058 -10.592 -2.198 1.00 0.00 H ATOM 968 HB2 GLU A 59 110.932 -9.581 -4.848 1.00 0.00 H ATOM 969 HB3 GLU A 59 112.249 -10.766 -4.687 1.00 0.00 H ATOM 970 HG2 GLU A 59 110.678 -12.300 -3.533 1.00 0.00 H ATOM 971 HG3 GLU A 59 109.370 -11.128 -3.816 1.00 0.00 H ATOM 972 H GLU A 59 110.250 -8.246 -2.551 1.00 0.00 H ATOM 973 N THR A 60 113.979 -9.201 -3.207 1.00 0.00 N ATOM 974 CA THR A 60 115.085 -8.368 -3.503 1.00 0.00 C ATOM 975 C THR A 60 114.773 -7.559 -4.772 1.00 0.00 C ATOM 976 O THR A 60 114.547 -8.123 -5.847 1.00 0.00 O ATOM 977 CB THR A 60 116.268 -9.268 -3.738 1.00 0.00 C ATOM 978 OG1 THR A 60 116.397 -10.164 -2.623 1.00 0.00 O ATOM 979 CG2 THR A 60 117.497 -8.475 -3.855 1.00 0.00 C ATOM 980 HA THR A 60 115.293 -7.673 -2.689 1.00 0.00 H ATOM 981 HB THR A 60 116.115 -9.826 -4.662 1.00 0.00 H ATOM 982 HG1 THR A 60 117.173 -10.761 -2.769 1.00 0.00 H ATOM 983 HG23 THR A 60 117.408 -7.792 -4.699 1.00 0.00 H ATOM 984 HG21 THR A 60 117.648 -7.905 -2.939 1.00 0.00 H ATOM 985 HG22 THR A 60 118.344 -9.142 -4.014 1.00 0.00 H ATOM 986 H THR A 60 114.137 -10.226 -3.135 1.00 0.00 H ATOM 987 N GLY A 61 114.758 -6.264 -4.637 1.00 0.00 N ATOM 988 CA GLY A 61 114.346 -5.417 -5.723 1.00 0.00 C ATOM 989 C GLY A 61 113.283 -4.432 -5.285 1.00 0.00 C ATOM 990 O GLY A 61 113.025 -3.445 -5.976 1.00 0.00 O ATOM 991 HA3 GLY A 61 113.946 -6.038 -6.525 1.00 0.00 H ATOM 992 HA2 GLY A 61 115.211 -4.865 -6.090 1.00 0.00 H ATOM 993 H GLY A 61 115.047 -5.838 -3.734 1.00 0.00 H ATOM 994 N ASP A 62 112.627 -4.721 -4.152 1.00 0.00 N ATOM 995 CA ASP A 62 111.661 -3.774 -3.569 1.00 0.00 C ATOM 996 C ASP A 62 112.394 -2.560 -3.075 1.00 0.00 C ATOM 997 O ASP A 62 113.475 -2.675 -2.482 1.00 0.00 O ATOM 998 CB ASP A 62 110.878 -4.348 -2.361 1.00 0.00 C ATOM 999 CG ASP A 62 109.779 -5.349 -2.678 1.00 0.00 C ATOM 1000 OD1 ASP A 62 108.686 -4.949 -3.088 1.00 0.00 O ATOM 1001 OD2 ASP A 62 109.986 -6.537 -2.510 1.00 0.00 O ATOM 1002 HA ASP A 62 110.950 -3.546 -4.363 1.00 0.00 H ATOM 1003 HB2 ASP A 62 111.596 -4.841 -1.705 1.00 0.00 H ATOM 1004 HB3 ASP A 62 110.421 -3.510 -1.834 1.00 0.00 H ATOM 1005 H ASP A 62 112.803 -5.629 -3.677 1.00 0.00 H ATOM 1006 N VAL A 63 111.871 -1.412 -3.331 1.00 0.00 N ATOM 1007 CA VAL A 63 112.449 -0.240 -2.785 1.00 0.00 C ATOM 1008 C VAL A 63 111.595 0.174 -1.583 1.00 0.00 C ATOM 1009 O VAL A 63 110.365 0.209 -1.663 1.00 0.00 O ATOM 1010 CB VAL A 63 112.616 0.936 -3.828 1.00 0.00 C ATOM 1011 CG1 VAL A 63 113.057 0.434 -5.187 1.00 0.00 C ATOM 1012 CG2 VAL A 63 111.389 1.777 -3.977 1.00 0.00 C ATOM 1013 HA VAL A 63 113.470 -0.462 -2.476 1.00 0.00 H ATOM 1014 HB VAL A 63 113.400 1.569 -3.412 1.00 0.00 H ATOM 1015 HG11 VAL A 63 114.016 -0.074 -5.091 1.00 0.00 H ATOM 1016 HG12 VAL A 63 112.313 -0.262 -5.575 1.00 0.00 H ATOM 1017 HG13 VAL A 63 113.158 1.278 -5.869 1.00 0.00 H ATOM 1018 HG21 VAL A 63 110.562 1.153 -4.316 1.00 0.00 H ATOM 1019 HG22 VAL A 63 111.138 2.225 -3.015 1.00 0.00 H ATOM 1020 HG23 VAL A 63 111.576 2.564 -4.708 1.00 0.00 H ATOM 1021 H VAL A 63 111.028 -1.345 -3.936 1.00 0.00 H ATOM 1022 N ILE A 64 112.233 0.419 -0.491 1.00 0.00 N ATOM 1023 CA ILE A 64 111.589 0.786 0.728 1.00 0.00 C ATOM 1024 C ILE A 64 111.278 2.274 0.720 1.00 0.00 C ATOM 1025 O ILE A 64 112.227 3.161 0.750 1.00 0.00 O ATOM 1026 CB ILE A 64 112.435 0.415 1.979 1.00 0.00 C ATOM 1027 CG1 ILE A 64 112.624 -1.107 2.094 1.00 0.00 C ATOM 1028 CG2 ILE A 64 111.832 0.985 3.272 1.00 0.00 C ATOM 1029 CD1 ILE A 64 111.332 -1.890 2.263 1.00 0.00 C ATOM 1030 HA ILE A 64 110.660 0.219 0.793 1.00 0.00 H ATOM 1031 HB ILE A 64 113.415 0.873 1.844 1.00 0.00 H ATOM 1032 HG12 ILE A 64 113.120 -1.458 1.189 1.00 0.00 H ATOM 1033 HG13 ILE A 64 113.260 -1.308 2.956 1.00 0.00 H ATOM 1034 HD11 ILE A 64 110.826 -1.563 3.171 1.00 0.00 H ATOM 1035 HD12 ILE A 64 110.687 -1.714 1.403 1.00 0.00 H ATOM 1036 HD13 ILE A 64 111.560 -2.953 2.336 1.00 0.00 H ATOM 1037 HG21 ILE A 64 111.786 2.072 3.202 1.00 0.00 H ATOM 1038 HG22 ILE A 64 110.827 0.586 3.410 1.00 0.00 H ATOM 1039 HG23 ILE A 64 112.456 0.700 4.119 1.00 0.00 H ATOM 1040 H ILE A 64 113.270 0.346 -0.498 1.00 0.00 H ATOM 1041 N VAL A 65 109.964 2.520 0.647 1.00 0.00 N ATOM 1042 CA VAL A 65 109.343 3.823 0.612 1.00 0.00 C ATOM 1043 C VAL A 65 109.008 4.249 2.048 1.00 0.00 C ATOM 1044 O VAL A 65 109.495 5.245 2.517 1.00 0.00 O ATOM 1045 CB VAL A 65 108.034 3.762 -0.271 1.00 0.00 C ATOM 1046 CG1 VAL A 65 107.307 5.097 -0.373 1.00 0.00 C ATOM 1047 CG2 VAL A 65 108.349 3.230 -1.664 1.00 0.00 C ATOM 1048 HA VAL A 65 110.021 4.553 0.171 1.00 0.00 H ATOM 1049 HB VAL A 65 107.358 3.077 0.240 1.00 0.00 H ATOM 1050 HG11 VAL A 65 107.014 5.427 0.624 1.00 0.00 H ATOM 1051 HG12 VAL A 65 107.970 5.837 -0.822 1.00 0.00 H ATOM 1052 HG13 VAL A 65 106.419 4.979 -0.994 1.00 0.00 H ATOM 1053 HG21 VAL A 65 109.071 3.888 -2.148 1.00 0.00 H ATOM 1054 HG22 VAL A 65 108.767 2.227 -1.582 1.00 0.00 H ATOM 1055 HG23 VAL A 65 107.433 3.197 -2.254 1.00 0.00 H ATOM 1056 H VAL A 65 109.331 1.695 0.612 1.00 0.00 H ATOM 1057 N SER A 66 108.223 3.462 2.750 1.00 0.00 N ATOM 1058 CA SER A 66 107.868 3.786 4.124 1.00 0.00 C ATOM 1059 C SER A 66 107.438 2.536 4.895 1.00 0.00 C ATOM 1060 O SER A 66 107.279 1.460 4.301 1.00 0.00 O ATOM 1061 CB SER A 66 106.805 4.908 4.166 1.00 0.00 C ATOM 1062 OG SER A 66 105.724 4.634 3.307 1.00 0.00 O ATOM 1063 HA SER A 66 108.754 4.170 4.629 1.00 0.00 H ATOM 1064 HB2 SER A 66 107.269 5.846 3.862 1.00 0.00 H ATOM 1065 HB3 SER A 66 106.431 5.003 5.185 1.00 0.00 H ATOM 1066 HG SER A 66 105.293 3.786 3.581 1.00 0.00 H ATOM 1067 H SER A 66 107.849 2.594 2.316 1.00 0.00 H ATOM 1068 N VAL A 67 107.266 2.661 6.203 1.00 0.00 N ATOM 1069 CA VAL A 67 106.930 1.523 7.028 1.00 0.00 C ATOM 1070 C VAL A 67 106.155 1.926 8.272 1.00 0.00 C ATOM 1071 O VAL A 67 106.615 2.752 9.070 1.00 0.00 O ATOM 1072 CB VAL A 67 108.198 0.682 7.409 1.00 0.00 C ATOM 1073 CG1 VAL A 67 109.257 1.520 8.086 1.00 0.00 C ATOM 1074 CG2 VAL A 67 107.831 -0.489 8.287 1.00 0.00 C ATOM 1075 HA VAL A 67 106.278 0.889 6.426 1.00 0.00 H ATOM 1076 HB VAL A 67 108.615 0.308 6.474 1.00 0.00 H ATOM 1077 HG11 VAL A 67 109.570 2.320 7.415 1.00 0.00 H ATOM 1078 HG12 VAL A 67 108.848 1.950 9.000 1.00 0.00 H ATOM 1079 HG13 VAL A 67 110.114 0.892 8.330 1.00 0.00 H ATOM 1080 HG21 VAL A 67 107.367 -0.123 9.203 1.00 0.00 H ATOM 1081 HG22 VAL A 67 107.131 -1.134 7.756 1.00 0.00 H ATOM 1082 HG23 VAL A 67 108.731 -1.052 8.534 1.00 0.00 H ATOM 1083 H VAL A 67 107.375 3.596 6.644 1.00 0.00 H ATOM 1084 N ASN A 68 104.951 1.364 8.379 1.00 0.00 N ATOM 1085 CA ASN A 68 104.072 1.476 9.551 1.00 0.00 C ATOM 1086 C ASN A 68 103.909 2.919 9.979 1.00 0.00 C ATOM 1087 O ASN A 68 104.312 3.325 11.070 1.00 0.00 O ATOM 1088 CB ASN A 68 104.657 0.600 10.638 1.00 0.00 C ATOM 1089 CG ASN A 68 103.781 0.338 11.854 1.00 0.00 C ATOM 1090 OD1 ASN A 68 103.836 1.056 12.848 1.00 0.00 O ATOM 1091 ND2 ASN A 68 102.997 -0.707 11.796 1.00 0.00 N ATOM 1092 HA ASN A 68 103.064 1.133 9.318 1.00 0.00 H ATOM 1093 HB2 ASN A 68 104.898 -0.364 10.191 1.00 0.00 H ATOM 1094 HB3 ASN A 68 105.573 1.076 10.988 1.00 0.00 H ATOM 1095 HD22 ASN A 68 102.975 -1.294 10.938 1.00 0.00 H ATOM 1096 HD21 ASN A 68 102.395 -0.951 12.608 1.00 0.00 H ATOM 1097 H ASN A 68 104.608 0.804 7.572 1.00 0.00 H ATOM 1098 N ASP A 69 103.412 3.694 9.036 1.00 0.00 N ATOM 1099 CA ASP A 69 103.128 5.161 9.167 1.00 0.00 C ATOM 1100 C ASP A 69 104.399 6.023 9.150 1.00 0.00 C ATOM 1101 O ASP A 69 104.381 7.159 8.668 1.00 0.00 O ATOM 1102 CB ASP A 69 102.234 5.487 10.400 1.00 0.00 C ATOM 1103 CG ASP A 69 102.012 6.982 10.637 1.00 0.00 C ATOM 1104 OD1 ASP A 69 101.251 7.630 9.878 1.00 0.00 O ATOM 1105 OD2 ASP A 69 102.551 7.531 11.627 1.00 0.00 O ATOM 1106 HA ASP A 69 102.559 5.428 8.276 1.00 0.00 H ATOM 1107 HB2 ASP A 69 101.262 5.016 10.252 1.00 0.00 H ATOM 1108 HB3 ASP A 69 102.708 5.067 11.287 1.00 0.00 H ATOM 1109 H ASP A 69 103.198 3.249 8.121 1.00 0.00 H ATOM 1110 N THR A 70 105.490 5.468 9.629 1.00 0.00 N ATOM 1111 CA THR A 70 106.757 6.158 9.719 1.00 0.00 C ATOM 1112 C THR A 70 107.311 6.484 8.323 1.00 0.00 C ATOM 1113 O THR A 70 107.443 5.595 7.447 1.00 0.00 O ATOM 1114 CB THR A 70 107.774 5.308 10.513 1.00 0.00 C ATOM 1115 OG1 THR A 70 107.155 4.848 11.734 1.00 0.00 O ATOM 1116 CG2 THR A 70 109.003 6.136 10.869 1.00 0.00 C ATOM 1117 HA THR A 70 106.593 7.098 10.246 1.00 0.00 H ATOM 1118 HB THR A 70 108.080 4.463 9.897 1.00 0.00 H ATOM 1119 HG1 THR A 70 106.361 4.299 11.514 1.00 0.00 H ATOM 1120 HG23 THR A 70 109.479 6.489 9.954 1.00 0.00 H ATOM 1121 HG21 THR A 70 108.701 6.990 11.476 1.00 0.00 H ATOM 1122 HG22 THR A 70 109.705 5.519 11.431 1.00 0.00 H ATOM 1123 H THR A 70 105.439 4.483 9.960 1.00 0.00 H ATOM 1124 N CYS A 71 107.632 7.743 8.131 1.00 0.00 N ATOM 1125 CA CYS A 71 108.130 8.246 6.886 1.00 0.00 C ATOM 1126 C CYS A 71 109.608 7.911 6.736 1.00 0.00 C ATOM 1127 O CYS A 71 110.491 8.746 6.943 1.00 0.00 O ATOM 1128 CB CYS A 71 107.899 9.755 6.809 1.00 0.00 C ATOM 1129 SG CYS A 71 108.256 10.501 5.192 1.00 0.00 S ATOM 1130 HA CYS A 71 107.592 7.772 6.065 1.00 0.00 H ATOM 1131 HB2 CYS A 71 108.537 10.234 7.552 1.00 0.00 H ATOM 1132 HB3 CYS A 71 106.854 9.951 7.049 1.00 0.00 H ATOM 1133 HG CYS A 71 108.011 11.858 5.249 1.00 0.00 H ATOM 1134 H CYS A 71 107.519 8.408 8.923 1.00 0.00 H ATOM 1135 N VAL A 72 109.863 6.677 6.380 1.00 0.00 N ATOM 1136 CA VAL A 72 111.208 6.185 6.147 1.00 0.00 C ATOM 1137 C VAL A 72 111.642 6.532 4.701 1.00 0.00 C ATOM 1138 O VAL A 72 112.726 6.181 4.226 1.00 0.00 O ATOM 1139 CB VAL A 72 111.283 4.654 6.494 1.00 0.00 C ATOM 1140 CG1 VAL A 72 112.643 4.037 6.217 1.00 0.00 C ATOM 1141 CG2 VAL A 72 110.952 4.476 7.964 1.00 0.00 C ATOM 1142 HA VAL A 72 111.924 6.676 6.806 1.00 0.00 H ATOM 1143 HB VAL A 72 110.567 4.142 5.851 1.00 0.00 H ATOM 1144 HG11 VAL A 72 112.881 4.145 5.159 1.00 0.00 H ATOM 1145 HG12 VAL A 72 113.400 4.546 6.814 1.00 0.00 H ATOM 1146 HG13 VAL A 72 112.621 2.979 6.480 1.00 0.00 H ATOM 1147 HG21 VAL A 72 111.672 5.030 8.567 1.00 0.00 H ATOM 1148 HG22 VAL A 72 109.948 4.853 8.157 1.00 0.00 H ATOM 1149 HG23 VAL A 72 111.000 3.418 8.220 1.00 0.00 H ATOM 1150 H VAL A 72 109.066 6.020 6.259 1.00 0.00 H ATOM 1151 N LEU A 73 110.779 7.278 4.039 1.00 0.00 N ATOM 1152 CA LEU A 73 111.017 7.780 2.725 1.00 0.00 C ATOM 1153 C LEU A 73 112.144 8.763 2.839 1.00 0.00 C ATOM 1154 O LEU A 73 111.978 9.868 3.385 1.00 0.00 O ATOM 1155 CB LEU A 73 109.726 8.476 2.307 1.00 0.00 C ATOM 1156 CG LEU A 73 109.515 8.806 0.858 1.00 0.00 C ATOM 1157 CD1 LEU A 73 109.796 7.593 -0.004 1.00 0.00 C ATOM 1158 CD2 LEU A 73 108.071 9.245 0.698 1.00 0.00 C ATOM 1159 HA LEU A 73 111.281 7.014 1.996 1.00 0.00 H ATOM 1160 HB2 LEU A 73 108.902 7.831 2.612 1.00 0.00 H ATOM 1161 HB3 LEU A 73 109.675 9.414 2.860 1.00 0.00 H ATOM 1162 HG LEU A 73 110.193 9.599 0.543 1.00 0.00 H ATOM 1163 HD21 LEU A 73 107.410 8.435 1.006 1.00 0.00 H ATOM 1164 HD22 LEU A 73 107.888 10.121 1.320 1.00 0.00 H ATOM 1165 HD23 LEU A 73 107.882 9.493 -0.346 1.00 0.00 H ATOM 1166 HD11 LEU A 73 110.829 7.276 0.143 1.00 0.00 H ATOM 1167 HD12 LEU A 73 109.123 6.784 0.279 1.00 0.00 H ATOM 1168 HD13 LEU A 73 109.638 7.849 -1.052 1.00 0.00 H ATOM 1169 H LEU A 73 109.877 7.513 4.500 1.00 0.00 H ATOM 1170 N GLY A 74 113.270 8.379 2.301 1.00 0.00 N ATOM 1171 CA GLY A 74 114.454 9.160 2.436 1.00 0.00 C ATOM 1172 C GLY A 74 114.843 9.368 3.893 1.00 0.00 C ATOM 1173 O GLY A 74 115.121 10.497 4.315 1.00 0.00 O ATOM 1174 HA3 GLY A 74 114.287 10.133 1.975 1.00 0.00 H ATOM 1175 HA2 GLY A 74 115.271 8.651 1.924 1.00 0.00 H ATOM 1176 H GLY A 74 113.303 7.488 1.765 1.00 0.00 H ATOM 1177 N HIS A 75 114.790 8.308 4.660 1.00 0.00 N ATOM 1178 CA HIS A 75 115.178 8.345 6.048 1.00 0.00 C ATOM 1179 C HIS A 75 116.686 8.276 6.065 1.00 0.00 C ATOM 1180 O HIS A 75 117.280 7.679 5.179 1.00 0.00 O ATOM 1181 CB HIS A 75 114.616 7.114 6.766 1.00 0.00 C ATOM 1182 CG HIS A 75 113.998 7.364 8.108 1.00 0.00 C ATOM 1183 ND1 HIS A 75 112.817 8.048 8.317 1.00 0.00 N ATOM 1184 CD2 HIS A 75 114.399 6.957 9.312 1.00 0.00 C ATOM 1185 CE1 HIS A 75 112.550 8.027 9.616 1.00 0.00 C ATOM 1186 NE2 HIS A 75 113.486 7.372 10.279 1.00 0.00 N ATOM 1187 HA HIS A 75 114.806 9.242 6.543 1.00 0.00 H ATOM 1188 HB2 HIS A 75 113.854 6.672 6.124 1.00 0.00 H ATOM 1189 HB3 HIS A 75 115.432 6.404 6.901 1.00 0.00 H ATOM 1190 HD2 HIS A 75 115.305 6.385 9.510 1.00 0.00 H ATOM 1191 HE1 HIS A 75 111.676 8.488 10.075 1.00 0.00 H ATOM 1192 H HIS A 75 114.457 7.410 4.255 1.00 0.00 H ATOM 1193 N THR A 76 117.291 8.896 7.021 1.00 0.00 N ATOM 1194 CA THR A 76 118.720 8.878 7.140 1.00 0.00 C ATOM 1195 C THR A 76 119.157 7.500 7.670 1.00 0.00 C ATOM 1196 O THR A 76 118.423 6.941 8.494 1.00 0.00 O ATOM 1197 CB THR A 76 119.111 9.973 8.150 1.00 0.00 C ATOM 1198 OG1 THR A 76 118.533 11.225 7.739 1.00 0.00 O ATOM 1199 CG2 THR A 76 120.610 10.131 8.298 1.00 0.00 C ATOM 1200 HA THR A 76 119.201 9.058 6.179 1.00 0.00 H ATOM 1201 HB THR A 76 118.726 9.669 9.123 1.00 0.00 H ATOM 1202 HG1 THR A 76 118.783 11.931 8.387 1.00 0.00 H ATOM 1203 HG23 THR A 76 121.045 9.181 8.609 1.00 0.00 H ATOM 1204 HG21 THR A 76 121.038 10.432 7.342 1.00 0.00 H ATOM 1205 HG22 THR A 76 120.821 10.892 9.049 1.00 0.00 H ATOM 1206 H THR A 76 116.729 9.421 7.721 1.00 0.00 H ATOM 1207 N HIS A 77 120.298 6.952 7.214 1.00 0.00 N ATOM 1208 CA HIS A 77 120.757 5.605 7.631 1.00 0.00 C ATOM 1209 C HIS A 77 120.701 5.419 9.118 1.00 0.00 C ATOM 1210 O HIS A 77 120.102 4.466 9.600 1.00 0.00 O ATOM 1211 CB HIS A 77 122.181 5.302 7.101 1.00 0.00 C ATOM 1212 CG HIS A 77 122.809 4.026 7.651 1.00 0.00 C ATOM 1213 ND1 HIS A 77 122.475 2.746 7.250 1.00 0.00 N ATOM 1214 CD2 HIS A 77 123.761 3.871 8.610 1.00 0.00 C ATOM 1215 CE1 HIS A 77 123.211 1.884 7.954 1.00 0.00 C ATOM 1216 NE2 HIS A 77 124.014 2.514 8.797 1.00 0.00 N ATOM 1217 HA HIS A 77 120.064 4.892 7.185 1.00 0.00 H ATOM 1218 HB2 HIS A 77 122.128 5.214 6.016 1.00 0.00 H ATOM 1219 HB3 HIS A 77 122.827 6.139 7.365 1.00 0.00 H ATOM 1220 HD2 HIS A 77 124.250 4.683 9.149 1.00 0.00 H ATOM 1221 HE1 HIS A 77 123.158 0.800 7.849 1.00 0.00 H ATOM 1222 H HIS A 77 120.880 7.494 6.544 1.00 0.00 H ATOM 1223 N ALA A 78 121.246 6.370 9.822 1.00 0.00 N ATOM 1224 CA ALA A 78 121.333 6.318 11.273 1.00 0.00 C ATOM 1225 C ALA A 78 119.945 6.232 11.901 1.00 0.00 C ATOM 1226 O ALA A 78 119.737 5.551 12.897 1.00 0.00 O ATOM 1227 CB ALA A 78 122.084 7.530 11.787 1.00 0.00 C ATOM 1228 HA ALA A 78 121.880 5.419 11.558 1.00 0.00 H ATOM 1229 HB1 ALA A 78 123.089 7.539 11.365 1.00 0.00 H ATOM 1230 HB2 ALA A 78 121.556 8.436 11.490 1.00 0.00 H ATOM 1231 HB3 ALA A 78 122.145 7.484 12.874 1.00 0.00 H ATOM 1232 H ALA A 78 121.634 7.199 9.327 1.00 0.00 H ATOM 1233 N GLN A 79 118.995 6.853 11.253 1.00 0.00 N ATOM 1234 CA GLN A 79 117.657 6.904 11.739 1.00 0.00 C ATOM 1235 C GLN A 79 116.908 5.614 11.423 1.00 0.00 C ATOM 1236 O GLN A 79 116.267 5.005 12.304 1.00 0.00 O ATOM 1237 CB GLN A 79 116.952 8.095 11.127 1.00 0.00 C ATOM 1238 CG GLN A 79 117.598 9.423 11.470 1.00 0.00 C ATOM 1239 CD GLN A 79 117.722 9.667 12.955 1.00 0.00 C ATOM 1240 OE1 GLN A 79 116.908 9.207 13.756 1.00 0.00 O ATOM 1241 NE2 GLN A 79 118.742 10.375 13.329 1.00 0.00 N ATOM 1242 HA GLN A 79 117.677 7.012 12.823 1.00 0.00 H ATOM 1243 HB2 GLN A 79 116.956 7.979 10.043 1.00 0.00 H ATOM 1244 HB3 GLN A 79 115.923 8.109 11.486 1.00 0.00 H ATOM 1245 HG2 GLN A 79 118.596 9.445 11.032 1.00 0.00 H ATOM 1246 HG3 GLN A 79 116.995 10.222 11.038 1.00 0.00 H ATOM 1247 HE22 GLN A 79 119.406 10.745 12.620 1.00 0.00 H ATOM 1248 HE21 GLN A 79 118.896 10.573 14.338 1.00 0.00 H ATOM 1249 H GLN A 79 119.223 7.325 10.355 1.00 0.00 H ATOM 1250 N VAL A 80 117.003 5.191 10.176 1.00 0.00 N ATOM 1251 CA VAL A 80 116.339 3.988 9.732 1.00 0.00 C ATOM 1252 C VAL A 80 116.891 2.755 10.456 1.00 0.00 C ATOM 1253 O VAL A 80 116.124 1.928 10.954 1.00 0.00 O ATOM 1254 CB VAL A 80 116.354 3.821 8.172 1.00 0.00 C ATOM 1255 CG1 VAL A 80 117.759 3.787 7.611 1.00 0.00 C ATOM 1256 CG2 VAL A 80 115.582 2.578 7.772 1.00 0.00 C ATOM 1257 HA VAL A 80 115.288 4.087 10.004 1.00 0.00 H ATOM 1258 HB VAL A 80 115.866 4.696 7.744 1.00 0.00 H ATOM 1259 HG11 VAL A 80 118.269 4.718 7.856 1.00 0.00 H ATOM 1260 HG12 VAL A 80 118.302 2.948 8.046 1.00 0.00 H ATOM 1261 HG13 VAL A 80 117.714 3.670 6.528 1.00 0.00 H ATOM 1262 HG21 VAL A 80 116.043 1.703 8.230 1.00 0.00 H ATOM 1263 HG22 VAL A 80 114.550 2.667 8.112 1.00 0.00 H ATOM 1264 HG23 VAL A 80 115.600 2.474 6.687 1.00 0.00 H ATOM 1265 H VAL A 80 117.570 5.738 9.497 1.00 0.00 H ATOM 1266 N VAL A 81 118.214 2.690 10.597 1.00 0.00 N ATOM 1267 CA VAL A 81 118.856 1.574 11.279 1.00 0.00 C ATOM 1268 C VAL A 81 118.444 1.558 12.745 1.00 0.00 C ATOM 1269 O VAL A 81 118.235 0.522 13.312 1.00 0.00 O ATOM 1270 CB VAL A 81 120.426 1.554 11.117 1.00 0.00 C ATOM 1271 CG1 VAL A 81 121.115 2.666 11.886 1.00 0.00 C ATOM 1272 CG2 VAL A 81 121.012 0.205 11.491 1.00 0.00 C ATOM 1273 HA VAL A 81 118.507 0.661 10.797 1.00 0.00 H ATOM 1274 HB VAL A 81 120.617 1.731 10.059 1.00 0.00 H ATOM 1275 HG11 VAL A 81 120.756 3.631 11.527 1.00 0.00 H ATOM 1276 HG12 VAL A 81 120.890 2.566 12.948 1.00 0.00 H ATOM 1277 HG13 VAL A 81 122.192 2.598 11.734 1.00 0.00 H ATOM 1278 HG21 VAL A 81 120.771 -0.019 12.530 1.00 0.00 H ATOM 1279 HG22 VAL A 81 120.590 -0.565 10.845 1.00 0.00 H ATOM 1280 HG23 VAL A 81 122.094 0.233 11.366 1.00 0.00 H ATOM 1281 H VAL A 81 118.803 3.455 10.211 1.00 0.00 H ATOM 1282 N LYS A 82 118.284 2.729 13.324 1.00 0.00 N ATOM 1283 CA LYS A 82 117.845 2.862 14.693 1.00 0.00 C ATOM 1284 C LYS A 82 116.473 2.177 14.912 1.00 0.00 C ATOM 1285 O LYS A 82 116.289 1.436 15.889 1.00 0.00 O ATOM 1286 CB LYS A 82 117.853 4.366 15.058 1.00 0.00 C ATOM 1287 CG LYS A 82 117.366 4.782 16.461 1.00 0.00 C ATOM 1288 CD LYS A 82 115.838 4.905 16.566 1.00 0.00 C ATOM 1289 CE LYS A 82 115.281 5.977 15.625 1.00 0.00 C ATOM 1290 NZ LYS A 82 113.822 6.159 15.788 1.00 0.00 N ATOM 1291 HA LYS A 82 118.527 2.345 15.368 1.00 0.00 H ATOM 1292 HB2 LYS A 82 118.880 4.718 14.955 1.00 0.00 H ATOM 1293 HB3 LYS A 82 117.221 4.878 14.332 1.00 0.00 H ATOM 1294 HG2 LYS A 82 117.703 4.035 17.179 1.00 0.00 H ATOM 1295 HG3 LYS A 82 117.808 5.747 16.708 1.00 0.00 H ATOM 1296 HD2 LYS A 82 115.389 3.945 16.311 1.00 0.00 H ATOM 1297 HD3 LYS A 82 115.576 5.166 17.591 1.00 0.00 H ATOM 1298 HE2 LYS A 82 115.486 5.682 14.596 1.00 0.00 H ATOM 1299 HE3 LYS A 82 115.779 6.923 15.836 1.00 0.00 H ATOM 1300 HZ1 LYS A 82 113.337 5.263 15.581 1.00 0.00 H ATOM 1301 HZ2 LYS A 82 113.617 6.448 16.766 1.00 0.00 H ATOM 1302 HZ3 LYS A 82 113.490 6.894 15.131 1.00 0.00 H ATOM 1303 H LYS A 82 118.481 3.590 12.775 1.00 0.00 H ATOM 1304 N ILE A 83 115.542 2.362 13.979 1.00 0.00 N ATOM 1305 CA ILE A 83 114.199 1.784 14.139 1.00 0.00 C ATOM 1306 C ILE A 83 114.267 0.277 13.941 1.00 0.00 C ATOM 1307 O ILE A 83 113.851 -0.531 14.797 1.00 0.00 O ATOM 1308 CB ILE A 83 113.195 2.369 13.108 1.00 0.00 C ATOM 1309 CG1 ILE A 83 113.107 3.889 13.235 1.00 0.00 C ATOM 1310 CG2 ILE A 83 111.806 1.739 13.285 1.00 0.00 C ATOM 1311 CD1 ILE A 83 112.198 4.524 12.212 1.00 0.00 C ATOM 1312 HA ILE A 83 113.853 2.030 15.143 1.00 0.00 H ATOM 1313 HB ILE A 83 113.561 2.128 12.110 1.00 0.00 H ATOM 1314 HG12 ILE A 83 112.732 4.132 14.229 1.00 0.00 H ATOM 1315 HG13 ILE A 83 114.107 4.305 13.114 1.00 0.00 H ATOM 1316 HD11 ILE A 83 112.566 4.299 11.211 1.00 0.00 H ATOM 1317 HD12 ILE A 83 111.190 4.126 12.327 1.00 0.00 H ATOM 1318 HD13 ILE A 83 112.183 5.604 12.361 1.00 0.00 H ATOM 1319 HG21 ILE A 83 111.876 0.661 13.137 1.00 0.00 H ATOM 1320 HG22 ILE A 83 111.440 1.946 14.291 1.00 0.00 H ATOM 1321 HG23 ILE A 83 111.120 2.164 12.552 1.00 0.00 H ATOM 1322 H ILE A 83 115.766 2.920 13.130 1.00 0.00 H ATOM 1323 N PHE A 84 114.878 -0.064 12.852 1.00 0.00 N ATOM 1324 CA PHE A 84 114.983 -1.404 12.359 1.00 0.00 C ATOM 1325 C PHE A 84 115.835 -2.318 13.256 1.00 0.00 C ATOM 1326 O PHE A 84 115.632 -3.535 13.306 1.00 0.00 O ATOM 1327 CB PHE A 84 115.508 -1.331 10.934 1.00 0.00 C ATOM 1328 CG PHE A 84 114.457 -0.977 9.891 1.00 0.00 C ATOM 1329 CD1 PHE A 84 113.808 0.242 9.908 1.00 0.00 C ATOM 1330 CD2 PHE A 84 114.115 -1.880 8.908 1.00 0.00 C ATOM 1331 CE1 PHE A 84 112.847 0.551 8.971 1.00 0.00 C ATOM 1332 CE2 PHE A 84 113.153 -1.581 7.970 1.00 0.00 C ATOM 1333 CZ PHE A 84 112.519 -0.367 8.001 1.00 0.00 C ATOM 1334 HA PHE A 84 113.997 -1.869 12.371 1.00 0.00 H ATOM 1335 HB2 PHE A 84 116.292 -0.575 10.898 1.00 0.00 H ATOM 1336 HB3 PHE A 84 115.930 -2.302 10.676 1.00 0.00 H ATOM 1337 HD2 PHE A 84 114.615 -2.848 8.873 1.00 0.00 H ATOM 1338 HE2 PHE A 84 112.896 -2.311 7.202 1.00 0.00 H ATOM 1339 HZ PHE A 84 111.757 -0.129 7.259 1.00 0.00 H ATOM 1340 HE1 PHE A 84 112.348 1.520 8.998 1.00 0.00 H ATOM 1341 HD1 PHE A 84 114.061 0.972 10.677 1.00 0.00 H ATOM 1342 H PHE A 84 115.326 0.691 12.294 1.00 0.00 H ATOM 1343 N GLN A 85 116.782 -1.750 13.926 1.00 0.00 N ATOM 1344 CA GLN A 85 117.606 -2.480 14.857 1.00 0.00 C ATOM 1345 C GLN A 85 116.998 -2.559 16.271 1.00 0.00 C ATOM 1346 O GLN A 85 117.292 -3.496 17.022 1.00 0.00 O ATOM 1347 CB GLN A 85 119.016 -1.901 14.886 1.00 0.00 C ATOM 1348 CG GLN A 85 120.076 -2.699 14.130 1.00 0.00 C ATOM 1349 CD GLN A 85 119.736 -3.013 12.676 1.00 0.00 C ATOM 1350 OE1 GLN A 85 119.007 -2.294 12.006 1.00 0.00 O ATOM 1351 NE2 GLN A 85 120.300 -4.075 12.183 1.00 0.00 N ATOM 1352 HA GLN A 85 117.657 -3.508 14.499 1.00 0.00 H ATOM 1353 HB2 GLN A 85 118.977 -0.902 14.453 1.00 0.00 H ATOM 1354 HB3 GLN A 85 119.328 -1.832 15.928 1.00 0.00 H ATOM 1355 HG2 GLN A 85 121.004 -2.127 14.144 1.00 0.00 H ATOM 1356 HG3 GLN A 85 120.225 -3.643 14.654 1.00 0.00 H ATOM 1357 HE22 GLN A 85 120.914 -4.663 12.782 1.00 0.00 H ATOM 1358 HE21 GLN A 85 120.137 -4.337 11.190 1.00 0.00 H ATOM 1359 H GLN A 85 116.956 -0.734 13.790 1.00 0.00 H ATOM 1360 N SER A 86 116.147 -1.607 16.639 1.00 0.00 N ATOM 1361 CA SER A 86 115.613 -1.603 17.999 1.00 0.00 C ATOM 1362 C SER A 86 114.364 -2.489 18.193 1.00 0.00 C ATOM 1363 O SER A 86 114.055 -2.884 19.330 1.00 0.00 O ATOM 1364 CB SER A 86 115.370 -0.175 18.499 1.00 0.00 C ATOM 1365 OG SER A 86 114.492 0.548 17.642 1.00 0.00 O ATOM 1366 HA SER A 86 116.388 -2.060 18.615 1.00 0.00 H ATOM 1367 HB2 SER A 86 116.325 0.348 18.548 1.00 0.00 H ATOM 1368 HB3 SER A 86 114.931 -0.221 19.496 1.00 0.00 H ATOM 1369 HG SER A 86 114.886 0.600 16.735 1.00 0.00 H ATOM 1370 H SER A 86 115.863 -0.869 15.963 1.00 0.00 H ATOM 1371 N ILE A 87 113.648 -2.775 17.110 1.00 0.00 N ATOM 1372 CA ILE A 87 112.445 -3.610 17.149 1.00 0.00 C ATOM 1373 C ILE A 87 112.622 -4.978 17.835 1.00 0.00 C ATOM 1374 O ILE A 87 113.686 -5.583 17.790 1.00 0.00 O ATOM 1375 CB ILE A 87 111.851 -3.876 15.769 1.00 0.00 C ATOM 1376 CG1 ILE A 87 112.871 -3.766 14.671 1.00 0.00 C ATOM 1377 CG2 ILE A 87 110.558 -3.123 15.489 1.00 0.00 C ATOM 1378 CD1 ILE A 87 112.290 -4.018 13.355 1.00 0.00 C ATOM 1379 HA ILE A 87 111.769 -3.001 17.750 1.00 0.00 H ATOM 1380 HB ILE A 87 111.543 -4.921 15.783 1.00 0.00 H ATOM 1381 HG12 ILE A 87 113.294 -2.761 14.683 1.00 0.00 H ATOM 1382 HG13 ILE A 87 113.662 -4.494 14.852 1.00 0.00 H ATOM 1383 HD11 ILE A 87 111.871 -5.024 13.331 1.00 0.00 H ATOM 1384 HD12 ILE A 87 111.502 -3.290 13.162 1.00 0.00 H ATOM 1385 HD13 ILE A 87 113.065 -3.927 12.594 1.00 0.00 H ATOM 1386 HG21 ILE A 87 109.805 -3.411 16.222 1.00 0.00 H ATOM 1387 HG22 ILE A 87 110.741 -2.051 15.557 1.00 0.00 H ATOM 1388 HG23 ILE A 87 110.205 -3.370 14.488 1.00 0.00 H ATOM 1389 H ILE A 87 113.956 -2.389 16.195 1.00 0.00 H ATOM 1390 N PRO A 88 111.528 -5.487 18.412 1.00 0.00 N ATOM 1391 CA PRO A 88 111.472 -6.744 19.144 1.00 0.00 C ATOM 1392 C PRO A 88 110.840 -7.878 18.312 1.00 0.00 C ATOM 1393 O PRO A 88 110.154 -7.649 17.303 1.00 0.00 O ATOM 1394 CB PRO A 88 110.519 -6.364 20.293 1.00 0.00 C ATOM 1395 CG PRO A 88 109.691 -5.200 19.777 1.00 0.00 C ATOM 1396 CD PRO A 88 110.210 -4.882 18.396 1.00 0.00 C ATOM 1397 HA PRO A 88 112.454 -7.116 19.438 1.00 0.00 H ATOM 1398 HD3 PRO A 88 109.581 -5.327 17.626 1.00 0.00 H ATOM 1399 HD2 PRO A 88 110.272 -3.806 18.236 1.00 0.00 H ATOM 1400 HG3 PRO A 88 109.807 -4.336 20.431 1.00 0.00 H ATOM 1401 HG2 PRO A 88 108.638 -5.479 19.729 1.00 0.00 H ATOM 1402 HB2 PRO A 88 109.874 -7.206 20.546 1.00 0.00 H ATOM 1403 HB3 PRO A 88 111.087 -6.065 21.174 1.00 0.00 H ATOM 1404 N ILE A 89 111.125 -9.084 18.713 1.00 0.00 N ATOM 1405 CA ILE A 89 110.565 -10.271 18.098 1.00 0.00 C ATOM 1406 C ILE A 89 109.059 -10.356 18.379 1.00 0.00 C ATOM 1407 O ILE A 89 108.632 -10.205 19.531 1.00 0.00 O ATOM 1408 CB ILE A 89 111.234 -11.540 18.666 1.00 0.00 C ATOM 1409 CG1 ILE A 89 112.743 -11.383 18.625 1.00 0.00 C ATOM 1410 CG2 ILE A 89 110.795 -12.770 17.883 1.00 0.00 C ATOM 1411 CD1 ILE A 89 113.525 -12.545 19.141 1.00 0.00 C ATOM 1412 HA ILE A 89 110.743 -10.206 17.025 1.00 0.00 H ATOM 1413 HB ILE A 89 110.924 -11.675 19.702 1.00 0.00 H ATOM 1414 HG12 ILE A 89 113.035 -11.215 17.588 1.00 0.00 H ATOM 1415 HG13 ILE A 89 113.006 -10.509 19.221 1.00 0.00 H ATOM 1416 HD11 ILE A 89 113.262 -12.724 20.184 1.00 0.00 H ATOM 1417 HD12 ILE A 89 113.291 -13.430 18.549 1.00 0.00 H ATOM 1418 HD13 ILE A 89 114.590 -12.327 19.066 1.00 0.00 H ATOM 1419 HG21 ILE A 89 109.713 -12.877 17.954 1.00 0.00 H ATOM 1420 HG22 ILE A 89 111.082 -12.655 16.838 1.00 0.00 H ATOM 1421 HG23 ILE A 89 111.277 -13.655 18.298 1.00 0.00 H ATOM 1422 H ILE A 89 111.783 -9.200 19.510 1.00 0.00 H ATOM 1423 N GLY A 90 108.281 -10.589 17.349 1.00 0.00 N ATOM 1424 CA GLY A 90 106.868 -10.756 17.515 1.00 0.00 C ATOM 1425 C GLY A 90 106.081 -9.539 17.108 1.00 0.00 C ATOM 1426 O GLY A 90 104.887 -9.458 17.397 1.00 0.00 O ATOM 1427 HA3 GLY A 90 106.664 -10.967 18.565 1.00 0.00 H ATOM 1428 HA2 GLY A 90 106.544 -11.600 16.906 1.00 0.00 H ATOM 1429 H GLY A 90 108.696 -10.653 16.398 1.00 0.00 H ATOM 1430 N ALA A 91 106.718 -8.577 16.446 1.00 0.00 N ATOM 1431 CA ALA A 91 106.002 -7.336 16.142 1.00 0.00 C ATOM 1432 C ALA A 91 105.566 -7.284 14.671 1.00 0.00 C ATOM 1433 O ALA A 91 105.903 -8.148 13.907 1.00 0.00 O ATOM 1434 CB ALA A 91 106.848 -6.136 16.529 1.00 0.00 C ATOM 1435 HA ALA A 91 105.089 -7.308 16.736 1.00 0.00 H ATOM 1436 HB1 ALA A 91 107.062 -6.173 17.597 1.00 0.00 H ATOM 1437 HB2 ALA A 91 107.783 -6.156 15.969 1.00 0.00 H ATOM 1438 HB3 ALA A 91 106.304 -5.220 16.298 1.00 0.00 H ATOM 1439 H ALA A 91 107.707 -8.704 16.150 1.00 0.00 H ATOM 1440 N SER A 92 104.858 -6.248 14.284 1.00 0.00 N ATOM 1441 CA SER A 92 104.312 -6.133 12.934 1.00 0.00 C ATOM 1442 C SER A 92 104.556 -4.754 12.377 1.00 0.00 C ATOM 1443 O SER A 92 104.690 -3.793 13.135 1.00 0.00 O ATOM 1444 CB SER A 92 102.809 -6.411 13.000 1.00 0.00 C ATOM 1445 OG SER A 92 102.173 -6.208 11.765 1.00 0.00 O ATOM 1446 HA SER A 92 104.803 -6.852 12.278 1.00 0.00 H ATOM 1447 HB2 SER A 92 102.362 -5.745 13.738 1.00 0.00 H ATOM 1448 HB3 SER A 92 102.657 -7.446 13.306 1.00 0.00 H ATOM 1449 HG SER A 92 101.206 -6.400 11.858 1.00 0.00 H ATOM 1450 H SER A 92 104.679 -5.481 14.964 1.00 0.00 H ATOM 1451 N VAL A 93 104.727 -4.695 11.066 1.00 0.00 N ATOM 1452 CA VAL A 93 104.822 -3.454 10.310 1.00 0.00 C ATOM 1453 C VAL A 93 104.286 -3.620 8.941 1.00 0.00 C ATOM 1454 O VAL A 93 104.359 -4.689 8.357 1.00 0.00 O ATOM 1455 CB VAL A 93 106.224 -2.827 10.182 1.00 0.00 C ATOM 1456 CG1 VAL A 93 106.667 -2.097 11.422 1.00 0.00 C ATOM 1457 CG2 VAL A 93 107.241 -3.850 9.745 1.00 0.00 C ATOM 1458 HA VAL A 93 104.228 -2.767 10.913 1.00 0.00 H ATOM 1459 HB VAL A 93 106.149 -2.068 9.403 1.00 0.00 H ATOM 1460 HG11 VAL A 93 105.965 -1.291 11.638 1.00 0.00 H ATOM 1461 HG12 VAL A 93 106.693 -2.792 12.261 1.00 0.00 H ATOM 1462 HG13 VAL A 93 107.662 -1.681 11.261 1.00 0.00 H ATOM 1463 HG21 VAL A 93 107.285 -4.654 10.480 1.00 0.00 H ATOM 1464 HG22 VAL A 93 106.952 -4.257 8.776 1.00 0.00 H ATOM 1465 HG23 VAL A 93 108.219 -3.376 9.664 1.00 0.00 H ATOM 1466 H VAL A 93 104.798 -5.591 10.543 1.00 0.00 H ATOM 1467 N ASP A 94 103.774 -2.549 8.451 1.00 0.00 N ATOM 1468 CA ASP A 94 103.230 -2.439 7.147 1.00 0.00 C ATOM 1469 C ASP A 94 104.271 -1.778 6.274 1.00 0.00 C ATOM 1470 O ASP A 94 104.598 -0.614 6.475 1.00 0.00 O ATOM 1471 CB ASP A 94 101.998 -1.539 7.194 1.00 0.00 C ATOM 1472 CG ASP A 94 100.839 -2.071 8.001 1.00 0.00 C ATOM 1473 OD1 ASP A 94 99.982 -2.796 7.453 1.00 0.00 O ATOM 1474 OD2 ASP A 94 100.724 -1.724 9.205 1.00 0.00 O ATOM 1475 HA ASP A 94 102.955 -3.421 6.761 1.00 0.00 H ATOM 1476 HB2 ASP A 94 102.296 -0.582 7.623 1.00 0.00 H ATOM 1477 HB3 ASP A 94 101.654 -1.386 6.171 1.00 0.00 H ATOM 1478 H ASP A 94 103.757 -1.702 9.054 1.00 0.00 H ATOM 1479 N LEU A 95 104.805 -2.504 5.361 1.00 0.00 N ATOM 1480 CA LEU A 95 105.815 -1.993 4.449 1.00 0.00 C ATOM 1481 C LEU A 95 105.172 -1.452 3.213 1.00 0.00 C ATOM 1482 O LEU A 95 104.397 -2.142 2.548 1.00 0.00 O ATOM 1483 CB LEU A 95 106.841 -3.074 4.011 1.00 0.00 C ATOM 1484 CG LEU A 95 107.878 -3.564 5.027 1.00 0.00 C ATOM 1485 CD1 LEU A 95 108.716 -2.435 5.542 1.00 0.00 C ATOM 1486 CD2 LEU A 95 107.244 -4.296 6.163 1.00 0.00 C ATOM 1487 HA LEU A 95 106.344 -1.213 4.997 1.00 0.00 H ATOM 1488 HB2 LEU A 95 106.271 -3.946 3.690 1.00 0.00 H ATOM 1489 HB3 LEU A 95 107.391 -2.668 3.162 1.00 0.00 H ATOM 1490 HG LEU A 95 108.527 -4.262 4.498 1.00 0.00 H ATOM 1491 HD21 LEU A 95 106.549 -3.633 6.678 1.00 0.00 H ATOM 1492 HD22 LEU A 95 106.706 -5.163 5.780 1.00 0.00 H ATOM 1493 HD23 LEU A 95 108.017 -4.625 6.858 1.00 0.00 H ATOM 1494 HD11 LEU A 95 109.241 -1.965 4.710 1.00 0.00 H ATOM 1495 HD12 LEU A 95 108.074 -1.701 6.029 1.00 0.00 H ATOM 1496 HD13 LEU A 95 109.440 -2.820 6.260 1.00 0.00 H ATOM 1497 H LEU A 95 104.504 -3.495 5.270 1.00 0.00 H ATOM 1498 N GLU A 96 105.476 -0.235 2.929 1.00 0.00 N ATOM 1499 CA GLU A 96 105.049 0.419 1.738 1.00 0.00 C ATOM 1500 C GLU A 96 106.260 0.453 0.853 1.00 0.00 C ATOM 1501 O GLU A 96 107.224 1.190 1.122 1.00 0.00 O ATOM 1502 CB GLU A 96 104.576 1.820 2.079 1.00 0.00 C ATOM 1503 CG GLU A 96 103.459 1.813 3.096 1.00 0.00 C ATOM 1504 CD GLU A 96 103.093 3.163 3.586 1.00 0.00 C ATOM 1505 OE1 GLU A 96 102.275 3.833 2.957 1.00 0.00 O ATOM 1506 OE2 GLU A 96 103.633 3.592 4.626 1.00 0.00 O ATOM 1507 HA GLU A 96 104.219 -0.089 1.246 1.00 0.00 H ATOM 1508 HB2 GLU A 96 105.416 2.386 2.483 1.00 0.00 H ATOM 1509 HB3 GLU A 96 104.219 2.302 1.169 1.00 0.00 H ATOM 1510 HG2 GLU A 96 102.579 1.362 2.638 1.00 0.00 H ATOM 1511 HG3 GLU A 96 103.773 1.210 3.948 1.00 0.00 H ATOM 1512 H GLU A 96 106.063 0.298 3.602 1.00 0.00 H ATOM 1513 N LEU A 97 106.265 -0.375 -0.138 1.00 0.00 N ATOM 1514 CA LEU A 97 107.432 -0.550 -0.943 1.00 0.00 C ATOM 1515 C LEU A 97 107.071 -0.720 -2.403 1.00 0.00 C ATOM 1516 O LEU A 97 105.923 -1.066 -2.729 1.00 0.00 O ATOM 1517 CB LEU A 97 108.329 -1.705 -0.377 1.00 0.00 C ATOM 1518 CG LEU A 97 107.841 -3.183 -0.405 1.00 0.00 C ATOM 1519 CD1 LEU A 97 108.793 -4.022 0.407 1.00 0.00 C ATOM 1520 CD2 LEU A 97 106.448 -3.369 0.145 1.00 0.00 C ATOM 1521 HA LEU A 97 108.035 0.356 -0.893 1.00 0.00 H ATOM 1522 HB2 LEU A 97 109.263 -1.676 -0.937 1.00 0.00 H ATOM 1523 HB3 LEU A 97 108.525 -1.462 0.667 1.00 0.00 H ATOM 1524 HG LEU A 97 107.816 -3.489 -1.451 1.00 0.00 H ATOM 1525 HD21 LEU A 97 106.421 -3.036 1.182 1.00 0.00 H ATOM 1526 HD22 LEU A 97 105.744 -2.782 -0.445 1.00 0.00 H ATOM 1527 HD23 LEU A 97 106.176 -4.423 0.093 1.00 0.00 H ATOM 1528 HD11 LEU A 97 109.793 -3.953 -0.022 1.00 0.00 H ATOM 1529 HD12 LEU A 97 108.812 -3.657 1.434 1.00 0.00 H ATOM 1530 HD13 LEU A 97 108.461 -5.060 0.395 1.00 0.00 H ATOM 1531 H LEU A 97 105.407 -0.922 -0.353 1.00 0.00 H ATOM 1532 N CYS A 98 108.005 -0.433 -3.270 1.00 0.00 N ATOM 1533 CA CYS A 98 107.745 -0.485 -4.680 1.00 0.00 C ATOM 1534 C CYS A 98 108.845 -1.262 -5.375 1.00 0.00 C ATOM 1535 O CYS A 98 110.012 -0.908 -5.309 1.00 0.00 O ATOM 1536 CB CYS A 98 107.586 0.932 -5.238 1.00 0.00 C ATOM 1537 SG CYS A 98 106.762 1.035 -6.842 1.00 0.00 S ATOM 1538 HA CYS A 98 106.808 -1.009 -4.866 1.00 0.00 H ATOM 1539 HB2 CYS A 98 108.579 1.369 -5.340 1.00 0.00 H ATOM 1540 HB3 CYS A 98 107.006 1.514 -4.522 1.00 0.00 H ATOM 1541 HG CYS A 98 107.486 0.321 -7.776 1.00 0.00 H ATOM 1542 H CYS A 98 108.951 -0.163 -2.933 1.00 0.00 H ATOM 1543 N ARG A 99 108.458 -2.310 -6.012 1.00 0.00 N ATOM 1544 CA ARG A 99 109.348 -3.248 -6.632 1.00 0.00 C ATOM 1545 C ARG A 99 109.152 -3.228 -8.133 1.00 0.00 C ATOM 1546 O ARG A 99 108.119 -2.801 -8.611 1.00 0.00 O ATOM 1547 CB ARG A 99 109.066 -4.616 -6.015 1.00 0.00 C ATOM 1548 CG ARG A 99 109.748 -5.816 -6.622 1.00 0.00 C ATOM 1549 CD ARG A 99 109.720 -6.999 -5.661 1.00 0.00 C ATOM 1550 NE ARG A 99 108.438 -7.121 -4.937 1.00 0.00 N ATOM 1551 CZ ARG A 99 107.470 -7.996 -5.193 1.00 0.00 C ATOM 1552 NH1 ARG A 99 107.524 -8.747 -6.283 1.00 0.00 N ATOM 1553 NH2 ARG A 99 106.440 -8.112 -4.360 1.00 0.00 N ATOM 1554 HA ARG A 99 110.393 -2.992 -6.459 1.00 0.00 H ATOM 1555 HB2 ARG A 99 109.364 -4.568 -4.968 1.00 0.00 H ATOM 1556 HB3 ARG A 99 107.991 -4.786 -6.078 1.00 0.00 H ATOM 1557 HG2 ARG A 99 109.234 -6.091 -7.543 1.00 0.00 H ATOM 1558 HG3 ARG A 99 110.784 -5.563 -6.847 1.00 0.00 H ATOM 1559 HD2 ARG A 99 110.521 -6.875 -4.932 1.00 0.00 H ATOM 1560 HD3 ARG A 99 109.887 -7.914 -6.230 1.00 0.00 H ATOM 1561 HE ARG A 99 108.277 -6.459 -4.151 1.00 0.00 H ATOM 1562 HH12 ARG A 99 106.766 -9.431 -6.481 1.00 0.00 H ATOM 1563 HH11 ARG A 99 108.324 -8.653 -6.940 1.00 0.00 H ATOM 1564 HH22 ARG A 99 105.683 -8.797 -4.561 1.00 0.00 H ATOM 1565 HH21 ARG A 99 106.391 -7.518 -3.508 1.00 0.00 H ATOM 1566 H ARG A 99 107.436 -2.488 -6.082 1.00 0.00 H ATOM 1567 N GLY A 100 110.136 -3.676 -8.862 1.00 0.00 N ATOM 1568 CA GLY A 100 110.073 -3.634 -10.301 1.00 0.00 C ATOM 1569 C GLY A 100 111.418 -3.303 -10.851 1.00 0.00 C ATOM 1570 O GLY A 100 111.687 -3.473 -12.049 1.00 0.00 O ATOM 1571 HA3 GLY A 100 109.357 -2.873 -10.611 1.00 0.00 H ATOM 1572 HA2 GLY A 100 109.755 -4.606 -10.679 1.00 0.00 H ATOM 1573 H GLY A 100 110.979 -4.070 -8.398 1.00 0.00 H ATOM 1574 N TYR A 101 112.252 -2.821 -9.964 1.00 0.00 N ATOM 1575 CA TYR A 101 113.611 -2.471 -10.250 1.00 0.00 C ATOM 1576 C TYR A 101 114.479 -3.681 -9.977 1.00 0.00 C ATOM 1577 O TYR A 101 114.573 -4.131 -8.828 1.00 0.00 O ATOM 1578 CB TYR A 101 114.038 -1.309 -9.344 1.00 0.00 C ATOM 1579 CG TYR A 101 113.180 -0.084 -9.505 1.00 0.00 C ATOM 1580 CD1 TYR A 101 113.441 0.843 -10.501 1.00 0.00 C ATOM 1581 CD2 TYR A 101 112.098 0.141 -8.665 1.00 0.00 C ATOM 1582 CE1 TYR A 101 112.648 1.956 -10.654 1.00 0.00 C ATOM 1583 CE2 TYR A 101 111.305 1.249 -8.811 1.00 0.00 C ATOM 1584 CZ TYR A 101 111.583 2.151 -9.806 1.00 0.00 C ATOM 1585 OH TYR A 101 110.789 3.256 -9.957 1.00 0.00 O ATOM 1586 HA TYR A 101 113.715 -2.164 -11.291 1.00 0.00 H ATOM 1587 HB3 TYR A 101 115.068 -1.044 -9.582 1.00 0.00 H ATOM 1588 HB2 TYR A 101 113.980 -1.639 -8.307 1.00 0.00 H ATOM 1589 HD2 TYR A 101 111.875 -0.576 -7.875 1.00 0.00 H ATOM 1590 HE2 TYR A 101 110.460 1.412 -8.142 1.00 0.00 H ATOM 1591 HE1 TYR A 101 112.862 2.678 -11.442 1.00 0.00 H ATOM 1592 HD1 TYR A 101 114.286 0.688 -11.172 1.00 0.00 H ATOM 1593 HH TYR A 101 111.123 3.800 -10.714 1.00 0.00 H ATOM 1594 H TYR A 101 111.906 -2.684 -8.993 1.00 0.00 H ATOM 1595 N PRO A 102 115.064 -4.275 -11.004 1.00 0.00 N ATOM 1596 CA PRO A 102 115.920 -5.422 -10.821 1.00 0.00 C ATOM 1597 C PRO A 102 117.272 -5.008 -10.271 1.00 0.00 C ATOM 1598 O PRO A 102 117.792 -3.944 -10.618 1.00 0.00 O ATOM 1599 CB PRO A 102 116.057 -6.010 -12.220 1.00 0.00 C ATOM 1600 CG PRO A 102 115.804 -4.877 -13.154 1.00 0.00 C ATOM 1601 CD PRO A 102 114.944 -3.880 -12.421 1.00 0.00 C ATOM 1602 HA PRO A 102 115.513 -6.137 -10.106 1.00 0.00 H ATOM 1603 HD3 PRO A 102 115.312 -2.865 -12.573 1.00 0.00 H ATOM 1604 HD2 PRO A 102 113.908 -3.943 -12.754 1.00 0.00 H ATOM 1605 HG3 PRO A 102 115.286 -5.235 -14.044 1.00 0.00 H ATOM 1606 HG2 PRO A 102 116.747 -4.415 -13.445 1.00 0.00 H ATOM 1607 HB2 PRO A 102 117.060 -6.410 -12.369 1.00 0.00 H ATOM 1608 HB3 PRO A 102 115.324 -6.802 -12.374 1.00 0.00 H ATOM 1609 N LEU A 103 117.812 -5.831 -9.399 1.00 0.00 N ATOM 1610 CA LEU A 103 119.096 -5.580 -8.777 1.00 0.00 C ATOM 1611 C LEU A 103 120.192 -5.812 -9.846 1.00 0.00 C ATOM 1612 O LEU A 103 120.401 -6.956 -10.278 1.00 0.00 O ATOM 1613 CB LEU A 103 119.266 -6.573 -7.601 1.00 0.00 C ATOM 1614 CG LEU A 103 120.137 -6.143 -6.405 1.00 0.00 C ATOM 1615 CD1 LEU A 103 121.549 -5.761 -6.808 1.00 0.00 C ATOM 1616 CD2 LEU A 103 119.460 -5.025 -5.633 1.00 0.00 C ATOM 1617 HA LEU A 103 119.169 -4.561 -8.396 1.00 0.00 H ATOM 1618 HB2 LEU A 103 118.270 -6.790 -7.214 1.00 0.00 H ATOM 1619 HB3 LEU A 103 119.703 -7.485 -8.008 1.00 0.00 H ATOM 1620 HG LEU A 103 120.236 -7.011 -5.753 1.00 0.00 H ATOM 1621 HD21 LEU A 103 119.312 -4.169 -6.291 1.00 0.00 H ATOM 1622 HD22 LEU A 103 118.495 -5.373 -5.264 1.00 0.00 H ATOM 1623 HD23 LEU A 103 120.089 -4.734 -4.792 1.00 0.00 H ATOM 1624 HD11 LEU A 103 122.034 -6.615 -7.282 1.00 0.00 H ATOM 1625 HD12 LEU A 103 121.512 -4.927 -7.509 1.00 0.00 H ATOM 1626 HD13 LEU A 103 122.112 -5.468 -5.922 1.00 0.00 H ATOM 1627 H LEU A 103 117.296 -6.698 -9.146 1.00 0.00 H ATOM 1628 N PRO A 104 120.867 -4.746 -10.327 1.00 0.00 N ATOM 1629 CA PRO A 104 121.856 -4.858 -11.376 1.00 0.00 C ATOM 1630 C PRO A 104 123.298 -4.985 -10.859 1.00 0.00 C ATOM 1631 O PRO A 104 123.850 -6.084 -10.811 1.00 0.00 O ATOM 1632 CB PRO A 104 121.664 -3.552 -12.166 1.00 0.00 C ATOM 1633 CG PRO A 104 120.824 -2.660 -11.273 1.00 0.00 C ATOM 1634 CD PRO A 104 120.702 -3.353 -9.941 1.00 0.00 C ATOM 1635 HA PRO A 104 121.717 -5.765 -11.965 1.00 0.00 H ATOM 1636 HD3 PRO A 104 121.484 -3.034 -9.252 1.00 0.00 H ATOM 1637 HD2 PRO A 104 119.727 -3.177 -9.487 1.00 0.00 H ATOM 1638 HG3 PRO A 104 119.836 -2.516 -11.711 1.00 0.00 H ATOM 1639 HG2 PRO A 104 121.310 -1.692 -11.148 1.00 0.00 H ATOM 1640 HB2 PRO A 104 122.627 -3.086 -12.373 1.00 0.00 H ATOM 1641 HB3 PRO A 104 121.147 -3.747 -13.106 1.00 0.00 H ATOM 1642 N PHE A 105 123.887 -3.864 -10.468 1.00 0.00 N ATOM 1643 CA PHE A 105 125.239 -3.826 -9.947 1.00 0.00 C ATOM 1644 C PHE A 105 125.166 -4.107 -8.472 1.00 0.00 C ATOM 1645 O PHE A 105 124.164 -3.743 -7.827 1.00 0.00 O ATOM 1646 CB PHE A 105 125.870 -2.445 -10.191 1.00 0.00 C ATOM 1647 CG PHE A 105 126.052 -2.084 -11.641 1.00 0.00 C ATOM 1648 CD1 PHE A 105 125.025 -1.509 -12.366 1.00 0.00 C ATOM 1649 CD2 PHE A 105 127.259 -2.310 -12.272 1.00 0.00 C ATOM 1650 CE1 PHE A 105 125.199 -1.169 -13.691 1.00 0.00 C ATOM 1651 CE2 PHE A 105 127.438 -1.972 -13.598 1.00 0.00 C ATOM 1652 CZ PHE A 105 126.406 -1.401 -14.308 1.00 0.00 C ATOM 1653 HA PHE A 105 125.858 -4.569 -10.449 1.00 0.00 H ATOM 1654 HB2 PHE A 105 125.229 -1.693 -9.731 1.00 0.00 H ATOM 1655 HB3 PHE A 105 126.849 -2.429 -9.711 1.00 0.00 H ATOM 1656 HD2 PHE A 105 128.081 -2.761 -11.716 1.00 0.00 H ATOM 1657 HE2 PHE A 105 128.396 -2.157 -14.083 1.00 0.00 H ATOM 1658 HZ PHE A 105 126.545 -1.134 -15.356 1.00 0.00 H ATOM 1659 HE1 PHE A 105 124.380 -0.716 -14.249 1.00 0.00 H ATOM 1660 HD1 PHE A 105 124.065 -1.322 -11.884 1.00 0.00 H ATOM 1661 H PHE A 105 123.356 -2.973 -10.538 1.00 0.00 H ATOM 1662 N ASP A 106 126.216 -4.699 -7.920 1.00 0.00 N ATOM 1663 CA ASP A 106 126.182 -5.142 -6.554 1.00 0.00 C ATOM 1664 C ASP A 106 126.387 -3.971 -5.673 1.00 0.00 C ATOM 1665 O ASP A 106 127.384 -3.261 -5.811 1.00 0.00 O ATOM 1666 CB ASP A 106 127.312 -6.096 -6.222 1.00 0.00 C ATOM 1667 CG ASP A 106 127.527 -7.209 -7.218 1.00 0.00 C ATOM 1668 OD1 ASP A 106 126.831 -8.230 -7.151 1.00 0.00 O ATOM 1669 OD2 ASP A 106 128.436 -7.089 -8.068 1.00 0.00 O ATOM 1670 HA ASP A 106 125.223 -5.639 -6.410 1.00 0.00 H ATOM 1671 HB2 ASP A 106 128.234 -5.518 -6.158 1.00 0.00 H ATOM 1672 HB3 ASP A 106 127.099 -6.547 -5.253 1.00 0.00 H ATOM 1673 H ASP A 106 127.077 -4.845 -8.484 1.00 0.00 H ATOM 1674 N PRO A 107 125.500 -3.734 -4.729 1.00 0.00 N ATOM 1675 CA PRO A 107 125.627 -2.662 -3.788 1.00 0.00 C ATOM 1676 C PRO A 107 126.217 -3.252 -2.520 1.00 0.00 C ATOM 1677 O PRO A 107 126.222 -2.654 -1.451 1.00 0.00 O ATOM 1678 CB PRO A 107 124.144 -2.256 -3.592 1.00 0.00 C ATOM 1679 CG PRO A 107 123.374 -3.264 -4.413 1.00 0.00 C ATOM 1680 CD PRO A 107 124.264 -4.434 -4.454 1.00 0.00 C ATOM 1681 HA PRO A 107 126.257 -1.822 -4.080 1.00 0.00 H ATOM 1682 HD3 PRO A 107 124.292 -4.966 -3.503 1.00 0.00 H ATOM 1683 HD2 PRO A 107 123.997 -5.129 -5.250 1.00 0.00 H ATOM 1684 HG3 PRO A 107 123.184 -2.884 -5.417 1.00 0.00 H ATOM 1685 HG2 PRO A 107 122.427 -3.513 -3.935 1.00 0.00 H ATOM 1686 HB2 PRO A 107 123.862 -2.316 -2.541 1.00 0.00 H ATOM 1687 HB3 PRO A 107 123.968 -1.244 -3.957 1.00 0.00 H ATOM 1688 N ASP A 108 126.682 -4.477 -2.690 1.00 0.00 N ATOM 1689 CA ASP A 108 127.266 -5.252 -1.663 1.00 0.00 C ATOM 1690 C ASP A 108 128.768 -5.009 -1.672 1.00 0.00 C ATOM 1691 O ASP A 108 129.466 -5.255 -0.693 1.00 0.00 O ATOM 1692 CB ASP A 108 126.961 -6.747 -1.894 1.00 0.00 C ATOM 1693 CG ASP A 108 127.495 -7.660 -0.796 1.00 0.00 C ATOM 1694 OD1 ASP A 108 126.826 -7.828 0.243 1.00 0.00 O ATOM 1695 OD2 ASP A 108 128.583 -8.249 -0.959 1.00 0.00 O ATOM 1696 HA ASP A 108 126.854 -4.966 -0.695 1.00 0.00 H ATOM 1697 HB2 ASP A 108 125.880 -6.873 -1.951 1.00 0.00 H ATOM 1698 HB3 ASP A 108 127.411 -7.048 -2.840 1.00 0.00 H ATOM 1699 H ASP A 108 126.614 -4.897 -3.639 1.00 0.00 H ATOM 1700 N ASP A 109 129.237 -4.473 -2.798 1.00 0.00 N ATOM 1701 CA ASP A 109 130.653 -4.237 -3.041 1.00 0.00 C ATOM 1702 C ASP A 109 130.990 -2.769 -2.789 1.00 0.00 C ATOM 1703 O ASP A 109 130.568 -1.903 -3.551 1.00 0.00 O ATOM 1704 CB ASP A 109 130.989 -4.564 -4.509 1.00 0.00 C ATOM 1705 CG ASP A 109 132.484 -4.467 -4.787 1.00 0.00 C ATOM 1706 OD1 ASP A 109 133.274 -5.164 -4.117 1.00 0.00 O ATOM 1707 OD2 ASP A 109 132.896 -3.682 -5.656 1.00 0.00 O ATOM 1708 HA ASP A 109 131.231 -4.872 -2.369 1.00 0.00 H ATOM 1709 HB2 ASP A 109 130.655 -5.578 -4.730 1.00 0.00 H ATOM 1710 HB3 ASP A 109 130.464 -3.861 -5.156 1.00 0.00 H ATOM 1711 H ASP A 109 128.558 -4.210 -3.540 1.00 0.00 H ATOM 1712 N PRO A 110 131.710 -2.467 -1.698 1.00 0.00 N ATOM 1713 CA PRO A 110 132.161 -1.096 -1.368 1.00 0.00 C ATOM 1714 C PRO A 110 133.262 -0.561 -2.284 1.00 0.00 C ATOM 1715 O PRO A 110 133.484 -1.037 -3.397 1.00 0.00 O ATOM 1716 CB PRO A 110 132.790 -1.275 0.012 1.00 0.00 C ATOM 1717 CG PRO A 110 132.174 -2.494 0.553 1.00 0.00 C ATOM 1718 CD PRO A 110 132.067 -3.408 -0.626 1.00 0.00 C ATOM 1719 HA PRO A 110 131.328 -0.398 -1.450 1.00 0.00 H ATOM 1720 HD3 PRO A 110 133.015 -3.905 -0.832 1.00 0.00 H ATOM 1721 HD2 PRO A 110 131.290 -4.158 -0.479 1.00 0.00 H ATOM 1722 HG3 PRO A 110 131.188 -2.279 0.966 1.00 0.00 H ATOM 1723 HG2 PRO A 110 132.803 -2.934 1.327 1.00 0.00 H ATOM 1724 HB2 PRO A 110 133.870 -1.395 -0.071 1.00 0.00 H ATOM 1725 HB3 PRO A 110 132.569 -0.418 0.649 1.00 0.00 H ATOM 1726 N ASN A 111 133.955 0.440 -1.752 1.00 0.00 N ATOM 1727 CA ASN A 111 135.092 1.108 -2.348 1.00 0.00 C ATOM 1728 C ASN A 111 134.701 2.062 -3.428 1.00 0.00 C ATOM 1729 O ASN A 111 135.479 2.364 -4.337 1.00 0.00 O ATOM 1730 CB ASN A 111 136.210 0.174 -2.797 1.00 0.00 C ATOM 1731 CG ASN A 111 137.011 -0.496 -1.679 1.00 0.00 C ATOM 1732 OD1 ASN A 111 138.191 -0.806 -1.853 1.00 0.00 O ATOM 1733 ND2 ASN A 111 136.411 -0.721 -0.545 1.00 0.00 N ATOM 1734 HA ASN A 111 135.515 1.694 -1.532 1.00 0.00 H ATOM 1735 HB2 ASN A 111 135.764 -0.612 -3.406 1.00 0.00 H ATOM 1736 HB3 ASN A 111 136.905 0.753 -3.405 1.00 0.00 H ATOM 1737 HD22 ASN A 111 135.414 -0.451 -0.421 1.00 0.00 H ATOM 1738 HD21 ASN A 111 136.929 -1.171 0.237 1.00 0.00 H ATOM 1739 H ASN A 111 133.651 0.776 -0.816 1.00 0.00 H ATOM 1740 N THR A 112 133.516 2.556 -3.318 1.00 0.00 N ATOM 1741 CA THR A 112 132.927 3.438 -4.276 1.00 0.00 C ATOM 1742 C THR A 112 131.684 4.029 -3.604 1.00 0.00 C ATOM 1743 O THR A 112 131.181 3.435 -2.637 1.00 0.00 O ATOM 1744 CB THR A 112 132.480 2.591 -5.524 1.00 0.00 C ATOM 1745 OG1 THR A 112 133.607 1.945 -6.159 1.00 0.00 O ATOM 1746 CG2 THR A 112 131.732 3.413 -6.557 1.00 0.00 C ATOM 1747 HA THR A 112 133.619 4.217 -4.596 1.00 0.00 H ATOM 1748 HB THR A 112 131.799 1.835 -5.134 1.00 0.00 H ATOM 1749 HG1 THR A 112 134.047 1.340 -5.511 1.00 0.00 H ATOM 1750 HG23 THR A 112 130.881 3.902 -6.083 1.00 0.00 H ATOM 1751 HG21 THR A 112 132.401 4.167 -6.973 1.00 0.00 H ATOM 1752 HG22 THR A 112 131.379 2.759 -7.354 1.00 0.00 H ATOM 1753 H THR A 112 132.954 2.297 -2.482 1.00 0.00 H ATOM 1754 N SER A 113 131.250 5.204 -4.028 1.00 0.00 N ATOM 1755 CA SER A 113 129.988 5.717 -3.619 1.00 0.00 C ATOM 1756 C SER A 113 128.960 4.929 -4.429 1.00 0.00 C ATOM 1757 O SER A 113 128.911 5.054 -5.652 1.00 0.00 O ATOM 1758 CB SER A 113 129.934 7.186 -3.957 1.00 0.00 C ATOM 1759 OG SER A 113 131.064 7.874 -3.418 1.00 0.00 O ATOM 1760 HA SER A 113 129.805 5.617 -2.549 1.00 0.00 H ATOM 1761 HB2 SER A 113 129.022 7.615 -3.541 1.00 0.00 H ATOM 1762 HB3 SER A 113 129.928 7.303 -5.041 1.00 0.00 H ATOM 1763 HG SER A 113 131.007 8.834 -3.652 1.00 0.00 H ATOM 1764 H SER A 113 131.843 5.764 -4.673 1.00 0.00 H ATOM 1765 N LEU A 114 128.164 4.131 -3.767 1.00 0.00 N ATOM 1766 CA LEU A 114 127.387 3.142 -4.436 1.00 0.00 C ATOM 1767 C LEU A 114 126.166 3.719 -5.059 1.00 0.00 C ATOM 1768 O LEU A 114 125.186 4.056 -4.374 1.00 0.00 O ATOM 1769 CB LEU A 114 126.986 2.035 -3.457 1.00 0.00 C ATOM 1770 CG LEU A 114 128.113 1.444 -2.612 1.00 0.00 C ATOM 1771 CD1 LEU A 114 127.619 0.281 -1.794 1.00 0.00 C ATOM 1772 CD2 LEU A 114 129.286 1.039 -3.470 1.00 0.00 C ATOM 1773 HA LEU A 114 128.007 2.728 -5.231 1.00 0.00 H ATOM 1774 HB2 LEU A 114 126.240 2.446 -2.777 1.00 0.00 H ATOM 1775 HB3 LEU A 114 126.542 1.224 -4.035 1.00 0.00 H ATOM 1776 HG LEU A 114 128.455 2.219 -1.926 1.00 0.00 H ATOM 1777 HD21 LEU A 114 128.964 0.290 -4.193 1.00 0.00 H ATOM 1778 HD22 LEU A 114 129.668 1.913 -3.997 1.00 0.00 H ATOM 1779 HD23 LEU A 114 130.070 0.622 -2.838 1.00 0.00 H ATOM 1780 HD11 LEU A 114 126.823 0.618 -1.130 1.00 0.00 H ATOM 1781 HD12 LEU A 114 127.237 -0.493 -2.459 1.00 0.00 H ATOM 1782 HD13 LEU A 114 128.441 -0.121 -1.202 1.00 0.00 H ATOM 1783 H LEU A 114 128.097 4.220 -2.733 1.00 0.00 H ATOM 1784 N VAL A 115 126.231 3.856 -6.343 1.00 0.00 N ATOM 1785 CA VAL A 115 125.107 4.199 -7.119 1.00 0.00 C ATOM 1786 C VAL A 115 124.961 3.130 -8.182 1.00 0.00 C ATOM 1787 O VAL A 115 125.690 3.126 -9.186 1.00 0.00 O ATOM 1788 CB VAL A 115 125.196 5.610 -7.775 1.00 0.00 C ATOM 1789 CG1 VAL A 115 123.957 5.891 -8.627 1.00 0.00 C ATOM 1790 CG2 VAL A 115 125.342 6.690 -6.721 1.00 0.00 C ATOM 1791 HA VAL A 115 124.237 4.249 -6.464 1.00 0.00 H ATOM 1792 HB VAL A 115 126.078 5.621 -8.415 1.00 0.00 H ATOM 1793 HG11 VAL A 115 123.881 5.141 -9.414 1.00 0.00 H ATOM 1794 HG12 VAL A 115 123.068 5.851 -7.998 1.00 0.00 H ATOM 1795 HG13 VAL A 115 124.042 6.881 -9.074 1.00 0.00 H ATOM 1796 HG21 VAL A 115 124.478 6.666 -6.056 1.00 0.00 H ATOM 1797 HG22 VAL A 115 126.250 6.513 -6.145 1.00 0.00 H ATOM 1798 HG23 VAL A 115 125.402 7.664 -7.207 1.00 0.00 H ATOM 1799 H VAL A 115 127.144 3.708 -6.819 1.00 0.00 H ATOM 1800 N THR A 116 124.089 2.205 -7.945 1.00 0.00 N ATOM 1801 CA THR A 116 123.859 1.156 -8.882 1.00 0.00 C ATOM 1802 C THR A 116 123.024 1.742 -10.042 1.00 0.00 C ATOM 1803 O THR A 116 122.185 2.626 -9.833 1.00 0.00 O ATOM 1804 CB THR A 116 123.138 -0.060 -8.188 1.00 0.00 C ATOM 1805 OG1 THR A 116 123.156 -1.230 -9.020 1.00 0.00 O ATOM 1806 CG2 THR A 116 121.700 0.280 -7.858 1.00 0.00 C ATOM 1807 HA THR A 116 124.801 0.770 -9.273 1.00 0.00 H ATOM 1808 HB THR A 116 123.687 -0.268 -7.270 1.00 0.00 H ATOM 1809 HG1 THR A 116 122.696 -1.972 -8.554 1.00 0.00 H ATOM 1810 HG23 THR A 116 121.674 1.168 -7.226 1.00 0.00 H ATOM 1811 HG21 THR A 116 121.153 0.473 -8.781 1.00 0.00 H ATOM 1812 HG22 THR A 116 121.242 -0.557 -7.331 1.00 0.00 H ATOM 1813 H THR A 116 123.547 2.227 -7.057 1.00 0.00 H ATOM 1814 N SER A 117 123.303 1.325 -11.232 1.00 0.00 N ATOM 1815 CA SER A 117 122.579 1.802 -12.381 1.00 0.00 C ATOM 1816 C SER A 117 121.592 0.751 -12.804 1.00 0.00 C ATOM 1817 O SER A 117 121.968 -0.345 -13.244 1.00 0.00 O ATOM 1818 CB SER A 117 123.533 2.187 -13.506 1.00 0.00 C ATOM 1819 OG SER A 117 124.420 3.223 -13.075 1.00 0.00 O ATOM 1820 HA SER A 117 122.030 2.708 -12.124 1.00 0.00 H ATOM 1821 HB2 SER A 117 122.957 2.540 -14.361 1.00 0.00 H ATOM 1822 HB3 SER A 117 124.116 1.313 -13.798 1.00 0.00 H ATOM 1823 HG SER A 117 125.032 3.461 -13.816 1.00 0.00 H ATOM 1824 H SER A 117 124.066 0.631 -11.363 1.00 0.00 H ATOM 1825 N VAL A 118 120.355 1.085 -12.681 1.00 0.00 N ATOM 1826 CA VAL A 118 119.297 0.150 -12.860 1.00 0.00 C ATOM 1827 C VAL A 118 118.781 0.152 -14.284 1.00 0.00 C ATOM 1828 O VAL A 118 118.711 1.192 -14.949 1.00 0.00 O ATOM 1829 CB VAL A 118 118.137 0.434 -11.857 1.00 0.00 C ATOM 1830 CG1 VAL A 118 117.563 1.830 -12.061 1.00 0.00 C ATOM 1831 CG2 VAL A 118 117.045 -0.629 -11.953 1.00 0.00 C ATOM 1832 HA VAL A 118 119.700 -0.842 -12.658 1.00 0.00 H ATOM 1833 HB VAL A 118 118.554 0.388 -10.851 1.00 0.00 H ATOM 1834 HG11 VAL A 118 118.348 2.570 -11.905 1.00 0.00 H ATOM 1835 HG12 VAL A 118 117.175 1.917 -13.076 1.00 0.00 H ATOM 1836 HG13 VAL A 118 116.757 1.998 -11.347 1.00 0.00 H ATOM 1837 HG21 VAL A 118 116.636 -0.637 -12.963 1.00 0.00 H ATOM 1838 HG22 VAL A 118 117.470 -1.606 -11.724 1.00 0.00 H ATOM 1839 HG23 VAL A 118 116.253 -0.400 -11.240 1.00 0.00 H ATOM 1840 H VAL A 118 120.121 2.070 -12.443 1.00 0.00 H ATOM 1841 N ALA A 119 118.489 -1.024 -14.749 1.00 0.00 N ATOM 1842 CA ALA A 119 117.873 -1.225 -16.009 1.00 0.00 C ATOM 1843 C ALA A 119 116.371 -1.235 -15.769 1.00 0.00 C ATOM 1844 O ALA A 119 115.936 -1.357 -14.632 1.00 0.00 O ATOM 1845 CB ALA A 119 118.352 -2.527 -16.635 1.00 0.00 C ATOM 1846 HA ALA A 119 118.135 -0.432 -16.709 1.00 0.00 H ATOM 1847 HB1 ALA A 119 119.433 -2.487 -16.771 1.00 0.00 H ATOM 1848 HB2 ALA A 119 118.097 -3.359 -15.979 1.00 0.00 H ATOM 1849 HB3 ALA A 119 117.868 -2.664 -17.602 1.00 0.00 H ATOM 1850 H ALA A 119 118.718 -1.857 -14.170 1.00 0.00 H ATOM 1851 N ILE A 120 115.596 -1.128 -16.824 1.00 0.00 N ATOM 1852 CA ILE A 120 114.148 -1.016 -16.768 1.00 0.00 C ATOM 1853 C ILE A 120 113.796 0.413 -16.284 1.00 0.00 C ATOM 1854 O ILE A 120 112.722 0.747 -15.780 1.00 0.00 O ATOM 1855 CB ILE A 120 113.509 -2.198 -15.937 1.00 0.00 C ATOM 1856 CG1 ILE A 120 113.719 -3.575 -16.622 1.00 0.00 C ATOM 1857 CG2 ILE A 120 112.028 -2.016 -15.661 1.00 0.00 C ATOM 1858 CD1 ILE A 120 115.129 -4.114 -16.682 1.00 0.00 C ATOM 1859 HA ILE A 120 113.699 -1.136 -17.754 1.00 0.00 H ATOM 1860 HB ILE A 120 114.038 -2.175 -14.984 1.00 0.00 H ATOM 1861 HG12 ILE A 120 113.113 -4.304 -16.084 1.00 0.00 H ATOM 1862 HG13 ILE A 120 113.358 -3.489 -17.647 1.00 0.00 H ATOM 1863 HD11 ILE A 120 115.760 -3.417 -17.233 1.00 0.00 H ATOM 1864 HD12 ILE A 120 115.515 -4.232 -15.669 1.00 0.00 H ATOM 1865 HD13 ILE A 120 115.126 -5.080 -17.186 1.00 0.00 H ATOM 1866 HG21 ILE A 120 111.876 -1.098 -15.093 1.00 0.00 H ATOM 1867 HG22 ILE A 120 111.489 -1.953 -16.606 1.00 0.00 H ATOM 1868 HG23 ILE A 120 111.660 -2.866 -15.087 1.00 0.00 H ATOM 1869 H ILE A 120 116.048 -1.123 -17.761 1.00 0.00 H ATOM 1870 N LEU A 121 114.741 1.249 -16.487 1.00 0.00 N ATOM 1871 CA LEU A 121 114.645 2.622 -16.230 1.00 0.00 C ATOM 1872 C LEU A 121 114.199 3.288 -17.530 1.00 0.00 C ATOM 1873 O LEU A 121 114.488 2.792 -18.617 1.00 0.00 O ATOM 1874 CB LEU A 121 116.017 3.115 -15.783 1.00 0.00 C ATOM 1875 CG LEU A 121 116.152 4.599 -15.553 1.00 0.00 C ATOM 1876 CD1 LEU A 121 115.184 5.080 -14.477 1.00 0.00 C ATOM 1877 CD2 LEU A 121 117.579 4.958 -15.199 1.00 0.00 C ATOM 1878 HA LEU A 121 113.928 2.857 -15.443 1.00 0.00 H ATOM 1879 HB2 LEU A 121 116.263 2.610 -14.849 1.00 0.00 H ATOM 1880 HB3 LEU A 121 116.738 2.831 -16.549 1.00 0.00 H ATOM 1881 HG LEU A 121 115.894 5.108 -16.481 1.00 0.00 H ATOM 1882 HD21 LEU A 121 117.870 4.432 -14.290 1.00 0.00 H ATOM 1883 HD22 LEU A 121 118.239 4.666 -16.016 1.00 0.00 H ATOM 1884 HD23 LEU A 121 117.652 6.033 -15.038 1.00 0.00 H ATOM 1885 HD11 LEU A 121 114.161 4.867 -14.789 1.00 0.00 H ATOM 1886 HD12 LEU A 121 115.396 4.562 -13.542 1.00 0.00 H ATOM 1887 HD13 LEU A 121 115.306 6.154 -14.334 1.00 0.00 H ATOM 1888 H LEU A 121 115.638 0.886 -16.867 1.00 0.00 H ATOM 1889 N ASP A 122 113.463 4.363 -17.422 1.00 0.00 N ATOM 1890 CA ASP A 122 112.936 5.041 -18.574 1.00 0.00 C ATOM 1891 C ASP A 122 114.019 5.790 -19.258 1.00 0.00 C ATOM 1892 O ASP A 122 114.704 6.594 -18.655 1.00 0.00 O ATOM 1893 CB ASP A 122 111.793 5.981 -18.204 1.00 0.00 C ATOM 1894 CG ASP A 122 110.616 5.261 -17.633 1.00 0.00 C ATOM 1895 OD1 ASP A 122 110.612 4.988 -16.430 1.00 0.00 O ATOM 1896 OD2 ASP A 122 109.673 4.931 -18.373 1.00 0.00 O ATOM 1897 HA ASP A 122 112.533 4.288 -19.251 1.00 0.00 H ATOM 1898 HB2 ASP A 122 112.155 6.697 -17.467 1.00 0.00 H ATOM 1899 HB3 ASP A 122 111.475 6.513 -19.100 1.00 0.00 H ATOM 1900 H ASP A 122 113.253 4.738 -16.475 1.00 0.00 H ATOM 1901 N LYS A 123 114.210 5.454 -20.479 1.00 0.00 N ATOM 1902 CA LYS A 123 115.192 6.061 -21.347 1.00 0.00 C ATOM 1903 C LYS A 123 114.441 6.975 -22.322 1.00 0.00 C ATOM 1904 O LYS A 123 114.550 6.815 -23.543 1.00 0.00 O ATOM 1905 CB LYS A 123 115.894 4.945 -22.155 1.00 0.00 C ATOM 1906 CG LYS A 123 116.366 3.697 -21.365 1.00 0.00 C ATOM 1907 CD LYS A 123 117.634 3.901 -20.526 1.00 0.00 C ATOM 1908 CE LYS A 123 117.444 4.779 -19.302 1.00 0.00 C ATOM 1909 NZ LYS A 123 118.705 4.953 -18.559 1.00 0.00 N ATOM 1910 HA LYS A 123 115.929 6.623 -20.773 1.00 0.00 H ATOM 1911 HB2 LYS A 123 115.198 4.606 -22.922 1.00 0.00 H ATOM 1912 HB3 LYS A 123 116.771 5.385 -22.631 1.00 0.00 H ATOM 1913 HG2 LYS A 123 115.561 3.397 -20.694 1.00 0.00 H ATOM 1914 HG3 LYS A 123 116.558 2.897 -22.080 1.00 0.00 H ATOM 1915 HD2 LYS A 123 117.984 2.924 -20.193 1.00 0.00 H ATOM 1916 HD3 LYS A 123 118.392 4.360 -21.160 1.00 0.00 H ATOM 1917 HE2 LYS A 123 116.707 4.317 -18.645 1.00 0.00 H ATOM 1918 HE3 LYS A 123 117.083 5.757 -19.620 1.00 0.00 H ATOM 1919 HZ1 LYS A 123 119.053 4.024 -18.247 1.00 0.00 H ATOM 1920 HZ2 LYS A 123 119.412 5.399 -19.178 1.00 0.00 H ATOM 1921 HZ3 LYS A 123 118.537 5.558 -17.730 1.00 0.00 H ATOM 1922 H LYS A 123 113.619 4.694 -20.872 1.00 0.00 H ATOM 1923 N GLU A 124 113.701 7.927 -21.800 1.00 0.00 N ATOM 1924 CA GLU A 124 112.821 8.741 -22.634 1.00 0.00 C ATOM 1925 C GLU A 124 113.569 9.885 -23.311 1.00 0.00 C ATOM 1926 O GLU A 124 114.549 10.404 -22.763 1.00 0.00 O ATOM 1927 CB GLU A 124 111.654 9.293 -21.830 1.00 0.00 C ATOM 1928 CG GLU A 124 110.897 8.251 -21.054 1.00 0.00 C ATOM 1929 CD GLU A 124 109.556 8.740 -20.597 1.00 0.00 C ATOM 1930 OE1 GLU A 124 109.485 9.676 -19.785 1.00 0.00 O ATOM 1931 OE2 GLU A 124 108.532 8.210 -21.069 1.00 0.00 O ATOM 1932 HA GLU A 124 112.435 8.082 -23.412 1.00 0.00 H ATOM 1933 HB2 GLU A 124 112.041 10.031 -21.127 1.00 0.00 H ATOM 1934 HB3 GLU A 124 110.962 9.778 -22.519 1.00 0.00 H ATOM 1935 HG2 GLU A 124 110.753 7.377 -21.689 1.00 0.00 H ATOM 1936 HG3 GLU A 124 111.484 7.970 -20.180 1.00 0.00 H ATOM 1937 H GLU A 124 113.743 8.104 -20.776 1.00 0.00 H ATOM 1938 N PRO A 125 113.143 10.274 -24.526 1.00 0.00 N ATOM 1939 CA PRO A 125 113.760 11.365 -25.264 1.00 0.00 C ATOM 1940 C PRO A 125 113.292 12.741 -24.751 1.00 0.00 C ATOM 1941 O PRO A 125 114.056 13.702 -24.858 1.00 0.00 O ATOM 1942 CB PRO A 125 113.283 11.138 -26.698 1.00 0.00 C ATOM 1943 CG PRO A 125 111.957 10.475 -26.553 1.00 0.00 C ATOM 1944 CD PRO A 125 112.032 9.652 -25.293 1.00 0.00 C ATOM 1945 HA PRO A 125 114.845 11.371 -25.162 1.00 0.00 H ATOM 1946 HD3 PRO A 125 111.097 9.708 -24.736 1.00 0.00 H ATOM 1947 HD2 PRO A 125 112.254 8.610 -25.523 1.00 0.00 H ATOM 1948 HG3 PRO A 125 111.759 9.834 -27.412 1.00 0.00 H ATOM 1949 HG2 PRO A 125 111.168 11.222 -26.470 1.00 0.00 H ATOM 1950 HB2 PRO A 125 113.184 12.087 -27.225 1.00 0.00 H ATOM 1951 HB3 PRO A 125 113.978 10.495 -27.238 1.00 0.00 H ATOM 1952 OXT PRO A 125 112.174 12.839 -24.227 1.00 0.00 O TER 1953 PRO A 125 HETATM 1954 N ARG A 1 131.324 13.797 3.315 1.00 0.24 N HETATM 1955 CA ARG A 1 131.994 14.192 2.083 1.00 0.07 C HETATM 1956 C ARG A 1 131.186 13.708 0.881 1.00 0.23 C HETATM 1957 O ARG A 1 130.733 14.514 0.062 1.00 -0.39 O HETATM 1958 N ARG A 1 131.006 12.404 0.780 1.00 -0.26 N HETATM 1959 CA ARG A 1 130.246 11.812 -0.285 1.00 0.15 C HETATM 1960 C ARG A 1 128.764 11.737 0.106 1.00 0.21 C HETATM 1961 O ARG A 1 128.431 11.601 1.292 1.00 -0.39 O HETATM 1962 N ARG A 1 127.890 11.849 -0.875 1.00 -0.26 N HETATM 1963 CA ARG A 1 126.474 11.920 -0.613 1.00 0.15 C HETATM 1964 C ARG A 1 125.737 10.753 -1.292 1.00 0.21 C HETATM 1965 O ARG A 1 125.095 9.948 -0.621 1.00 -0.39 O HETATM 1966 N ARG A 1 125.858 10.631 -2.608 1.00 -0.26 N HETATM 1967 CA ARG A 1 125.172 9.568 -3.324 1.00 0.13 C HETATM 1968 C ARG A 1 125.870 8.226 -3.157 1.00 0.20 C HETATM 1969 O ARG A 1 126.721 7.842 -3.972 1.00 -0.39 O HETATM 1970 N ARG A 1 125.536 7.558 -2.091 1.00 -0.26 N HETATM 1971 CA ARG A 1 125.969 6.230 -1.832 1.00 0.16 C HETATM 1972 C ARG A 1 124.991 5.565 -0.878 1.00 0.21 C HETATM 1973 O ARG A 1 124.801 5.996 0.265 1.00 -0.39 O HETATM 1974 N ARG A 1 124.315 4.578 -1.387 1.00 -0.26 N HETATM 1975 CA ARG A 1 123.335 3.853 -0.627 1.00 0.13 C HETATM 1976 C ARG A 1 123.960 2.931 0.411 1.00 0.20 C HETATM 1977 O ARG A 1 124.792 2.083 0.086 1.00 -0.39 O HETATM 1978 N ARG A 1 123.536 3.103 1.666 1.00 -0.26 N HETATM 1979 CA ARG A 1 124.163 2.434 2.805 1.00 0.13 C HETATM 1980 C ARG A 1 123.541 1.094 3.088 1.00 0.20 C HETATM 1981 O ARG A 1 122.327 0.929 2.973 1.00 -0.39 O HETATM 1982 N ARG A 1 124.379 0.162 3.472 1.00 -0.26 N HETATM 1983 CA ARG A 1 123.976 -1.176 3.818 1.00 0.13 C HETATM 1984 C ARG A 1 123.373 -1.167 5.211 1.00 0.20 C HETATM 1985 O ARG A 1 124.065 -0.919 6.207 1.00 -0.39 O HETATM 1986 N ARG A 1 122.119 -1.381 5.271 1.00 -0.26 N HETATM 1987 CA ARG A 1 121.408 -1.462 6.496 1.00 0.16 C HETATM 1988 C ARG A 1 120.875 -2.893 6.596 1.00 0.21 C HETATM 1989 O ARG A 1 119.826 -3.211 6.067 1.00 -0.39 O HETATM 1990 N ARG A 1 121.656 -3.772 7.162 1.00 -0.26 N HETATM 1991 CA ARG A 1 121.227 -5.146 7.317 1.00 0.13 C HETATM 1992 C ARG A 1 120.244 -5.273 8.467 1.00 0.20 C HETATM 1993 O ARG A 1 120.585 -5.039 9.630 1.00 -0.39 O HETATM 1994 N ARG A 1 119.027 -5.612 8.153 1.00 -0.27 N HETATM 1995 CA ARG A 1 118.002 -5.657 9.145 1.00 0.10 C HETATM 1996 C ARG A 1 117.468 -7.046 9.288 1.00 0.06 C HETATM 1997 O ARG A 1 116.899 -7.368 10.353 1.00 -0.57 O HETATM 1998 OXT ARG A 1 117.640 -7.835 8.353 1.00 -0.57 O HETATM 1999 CB ARG A 1 116.844 -4.675 8.867 1.00 -0.01 C HETATM 2000 CG1 ARG A 1 117.359 -3.284 8.738 1.00 -0.06 C HETATM 2001 H96 ARG A 1 116.521 -2.600 8.540 1.00 0.02 H HETATM 2002 H97 ARG A 1 118.077 -3.234 7.906 1.00 0.02 H HETATM 2003 H98 ARG A 1 117.860 -2.990 9.672 1.00 0.02 H HETATM 2004 CG2 ARG A 1 116.085 -5.040 7.624 1.00 -0.06 C HETATM 2005 H99 ARG A 1 115.703 -6.067 7.716 1.00 0.02 H HETATM 2006 H100 ARG A 1 116.754 -4.974 6.753 1.00 0.02 H HETATM 2007 H101 ARG A 1 115.242 -4.346 7.492 1.00 0.02 H HETATM 2008 H95 ARG A 1 116.150 -4.715 9.720 1.00 0.03 H HETATM 2009 H94 ARG A 1 118.459 -5.368 10.103 1.00 0.07 H HETATM 2010 H93 ARG A 1 118.808 -5.844 7.205 1.00 0.19 H HETATM 2011 CB ARG A 1 122.410 -6.143 7.439 1.00 0.00 C HETATM 2012 CG ARG A 1 123.350 -5.980 8.626 1.00 0.04 C HETATM 2013 CD ARG A 1 124.174 -4.702 8.578 1.00 0.17 C HETATM 2014 OE1 ARG A 1 124.488 -4.187 7.507 1.00 -0.40 O HETATM 2015 NE2 ARG A 1 124.538 -4.188 9.714 1.00 -0.30 N HETATM 2016 H91 ARG A 1 125.081 -3.348 9.732 1.00 0.18 H HETATM 2017 H92 ARG A 1 124.275 -4.632 10.571 1.00 0.18 H HETATM 2018 H89 ARG A 1 124.039 -6.838 8.645 1.00 0.05 H HETATM 2019 H90 ARG A 1 122.749 -5.972 9.547 1.00 0.05 H HETATM 2020 H87 ARG A 1 123.015 -6.049 6.525 1.00 0.03 H HETATM 2021 H88 ARG A 1 121.983 -7.155 7.494 1.00 0.03 H HETATM 2022 H86 ARG A 1 120.684 -5.416 6.399 1.00 0.08 H HETATM 2023 H85 ARG A 1 122.558 -3.494 7.491 1.00 0.19 H HETATM 2024 CB ARG A 1 120.233 -0.437 6.494 1.00 0.09 C HETATM 2025 OG1 ARG A 1 120.726 0.840 6.008 1.00 -0.39 O HETATM 2026 H81 ARG A 1 121.421 1.148 6.578 1.00 0.21 H HETATM 2027 CG2 ARG A 1 119.649 -0.246 7.911 1.00 -0.03 C HETATM 2028 H82 ARG A 1 118.825 0.481 7.873 1.00 0.03 H HETATM 2029 H83 ARG A 1 120.435 0.126 8.585 1.00 0.03 H HETATM 2030 H84 ARG A 1 119.271 -1.209 8.285 1.00 0.03 H HETATM 2031 H80 ARG A 1 119.439 -0.802 5.826 1.00 0.06 H HETATM 2032 H79 ARG A 1 122.079 -1.248 7.341 1.00 0.08 H HETATM 2033 H78 ARG A 1 121.613 -1.497 4.416 1.00 0.19 H HETATM 2034 CB ARG A 1 125.193 -2.093 3.814 1.00 -0.00 C HETATM 2035 CG ARG A 1 124.879 -3.569 4.000 1.00 0.00 C HETATM 2036 CD ARG A 1 124.257 -4.190 2.782 1.00 0.04 C HETATM 2037 OE1 ARG A 1 125.002 -4.450 1.814 1.00 -0.57 O HETATM 2038 OE2 ARG A 1 123.037 -4.474 2.770 1.00 -0.57 O HETATM 2039 H76 ARG A 1 124.182 -3.676 4.844 1.00 0.04 H HETATM 2040 H77 ARG A 1 125.814 -4.101 4.227 1.00 0.04 H HETATM 2041 H74 ARG A 1 125.861 -1.780 4.630 1.00 0.03 H HETATM 2042 H75 ARG A 1 125.710 -1.972 2.851 1.00 0.03 H HETATM 2043 H73 ARG A 1 123.234 -1.540 3.092 1.00 0.08 H HETATM 2044 H72 ARG A 1 125.350 0.393 3.528 1.00 0.19 H HETATM 2045 CB ARG A 1 124.036 3.296 4.056 1.00 -0.01 C HETATM 2046 CG ARG A 1 124.557 4.702 3.897 1.00 -0.02 C HETATM 2047 CD ARG A 1 126.029 4.735 3.533 1.00 0.06 C HETATM 2048 NE ARG A 1 126.485 6.106 3.331 1.00 -0.27 N HETATM 2049 CZ ARG A 1 127.760 6.517 3.401 1.00 0.29 C HETATM 2050 NH1 ARG A 1 128.734 5.656 3.664 1.00 -0.28 N HETATM 2051 H68 ARG A 1 129.710 5.982 3.716 1.00 0.26 H HETATM 2052 H69 ARG A 1 128.515 4.661 3.817 1.00 0.26 H HETATM 2053 NH2 ARG A 1 128.052 7.785 3.198 1.00 -0.28 N HETATM 2054 H70 ARG A 1 127.301 8.460 2.993 1.00 0.26 H HETATM 2055 H71 ARG A 1 129.031 8.102 3.244 1.00 0.26 H HETATM 2056 H67 ARG A 1 125.770 6.816 3.117 1.00 0.26 H HETATM 2057 H65 ARG A 1 126.183 4.164 2.606 1.00 0.07 H HETATM 2058 H66 ARG A 1 126.612 4.278 4.347 1.00 0.07 H HETATM 2059 H63 ARG A 1 124.415 5.241 4.846 1.00 0.03 H HETATM 2060 H64 ARG A 1 123.985 5.203 3.102 1.00 0.03 H HETATM 2061 H61 ARG A 1 124.598 2.810 4.867 1.00 0.03 H HETATM 2062 H62 ARG A 1 122.972 3.352 4.329 1.00 0.03 H HETATM 2063 H60 ARG A 1 125.229 2.287 2.576 1.00 0.08 H HETATM 2064 H59 ARG A 1 122.761 3.712 1.833 1.00 0.19 H HETATM 2065 CB ARG A 1 122.313 3.170 -1.540 1.00 -0.01 C HETATM 2066 CG ARG A 1 122.833 2.512 -2.796 1.00 -0.02 C HETATM 2067 CD ARG A 1 121.655 2.071 -3.660 1.00 0.06 C HETATM 2068 NE ARG A 1 120.698 3.180 -3.883 1.00 -0.27 N HETATM 2069 CZ ARG A 1 119.508 3.090 -4.507 1.00 0.29 C HETATM 2070 NH1 ARG A 1 119.150 1.975 -5.136 1.00 -0.28 N HETATM 2071 H55 ARG A 1 118.237 1.921 -5.609 1.00 0.26 H HETATM 2072 H56 ARG A 1 119.786 1.165 -5.151 1.00 0.26 H HETATM 2073 NH2 ARG A 1 118.682 4.118 -4.497 1.00 -0.28 N HETATM 2074 H57 ARG A 1 118.948 4.987 -4.013 1.00 0.26 H HETATM 2075 H58 ARG A 1 117.771 4.051 -4.973 1.00 0.26 H HETATM 2076 H54 ARG A 1 120.969 4.108 -3.527 1.00 0.26 H HETATM 2077 H52 ARG A 1 121.132 1.244 -3.156 1.00 0.07 H HETATM 2078 H53 ARG A 1 122.035 1.726 -4.633 1.00 0.07 H HETATM 2079 H50 ARG A 1 123.440 1.635 -2.527 1.00 0.03 H HETATM 2080 H51 ARG A 1 123.452 3.228 -3.357 1.00 0.03 H HETATM 2081 H48 ARG A 1 121.582 3.933 -1.846 1.00 0.03 H HETATM 2082 H49 ARG A 1 121.807 2.394 -0.947 1.00 0.03 H HETATM 2083 H47 ARG A 1 122.772 4.605 -0.055 1.00 0.08 H HETATM 2084 H46 ARG A 1 124.483 4.315 -2.337 1.00 0.19 H HETATM 2085 CB ARG A 1 127.458 6.134 -1.339 1.00 0.09 C HETATM 2086 OG1 ARG A 1 127.853 4.766 -1.126 1.00 -0.39 O HETATM 2087 H42 ARG A 1 128.755 4.741 -0.829 1.00 0.21 H HETATM 2088 CG2 ARG A 1 127.738 6.940 -0.096 1.00 -0.03 C HETATM 2089 H43 ARG A 1 128.795 6.823 0.186 1.00 0.03 H HETATM 2090 H44 ARG A 1 127.098 6.583 0.724 1.00 0.03 H HETATM 2091 H45 ARG A 1 127.526 8.001 -0.292 1.00 0.03 H HETATM 2092 H41 ARG A 1 128.088 6.543 -2.142 1.00 0.06 H HETATM 2093 H40 ARG A 1 125.921 5.682 -2.785 1.00 0.08 H HETATM 2094 H39 ARG A 1 124.944 8.003 -1.419 1.00 0.19 H HETATM 2095 CB ARG A 1 124.982 9.882 -4.820 1.00 -0.01 C HETATM 2096 CG ARG A 1 123.997 10.998 -5.141 1.00 -0.02 C HETATM 2097 CD ARG A 1 122.592 10.690 -4.624 1.00 0.06 C HETATM 2098 NE ARG A 1 122.039 9.415 -5.126 1.00 -0.27 N HETATM 2099 CZ ARG A 1 120.819 8.946 -4.788 1.00 0.29 C HETATM 2100 NH1 ARG A 1 119.954 9.733 -4.161 1.00 -0.28 N HETATM 2101 H35 ARG A 1 119.024 9.374 -3.904 1.00 0.26 H HETATM 2102 H36 ARG A 1 120.213 10.703 -3.932 1.00 0.26 H HETATM 2103 NH2 ARG A 1 120.455 7.716 -5.127 1.00 -0.28 N HETATM 2104 H37 ARG A 1 121.120 7.098 -5.614 1.00 0.26 H HETATM 2105 H38 ARG A 1 119.508 7.379 -4.903 1.00 0.26 H HETATM 2106 H34 ARG A 1 122.616 8.854 -5.769 1.00 0.26 H HETATM 2107 H32 ARG A 1 121.922 11.505 -4.934 1.00 0.07 H HETATM 2108 H33 ARG A 1 122.629 10.644 -3.526 1.00 0.07 H HETATM 2109 H30 ARG A 1 123.953 11.129 -6.232 1.00 0.03 H HETATM 2110 H31 ARG A 1 124.351 11.929 -4.674 1.00 0.03 H HETATM 2111 H28 ARG A 1 124.628 8.966 -5.315 1.00 0.03 H HETATM 2112 H29 ARG A 1 125.961 10.167 -5.232 1.00 0.03 H HETATM 2113 H27 ARG A 1 124.170 9.477 -2.879 1.00 0.08 H HETATM 2114 H26 ARG A 1 126.428 11.278 -3.113 1.00 0.19 H HETATM 2115 CB ARG A 1 125.938 13.282 -1.090 1.00 0.08 C HETATM 2116 OG ARG A 1 124.646 13.573 -0.570 1.00 -0.39 O HETATM 2117 H25 ARG A 1 124.034 12.903 -0.852 1.00 0.21 H HETATM 2118 H23 ARG A 1 125.882 13.274 -2.188 1.00 0.06 H HETATM 2119 H24 ARG A 1 126.634 14.069 -0.764 1.00 0.06 H HETATM 2120 H22 ARG A 1 126.313 11.843 0.472 1.00 0.08 H HETATM 2121 H21 ARG A 1 128.216 11.885 -1.820 1.00 0.19 H HETATM 2122 CB ARG A 1 130.852 10.446 -0.590 1.00 0.08 C HETATM 2123 OG ARG A 1 131.359 9.841 0.599 1.00 -0.39 O HETATM 2124 H20 ARG A 1 131.731 8.993 0.388 1.00 0.21 H HETATM 2125 H18 ARG A 1 131.674 10.569 -1.311 1.00 0.06 H HETATM 2126 H19 ARG A 1 130.077 9.796 -1.024 1.00 0.06 H HETATM 2127 H17 ARG A 1 130.332 12.441 -1.183 1.00 0.08 H HETATM 2128 H16 ARG A 1 131.414 11.807 1.470 1.00 0.19 H HETATM 2129 CB ARG A 1 133.414 13.611 2.034 1.00 0.01 C HETATM 2130 CG ARG A 1 134.304 14.159 0.911 1.00 -0.01 C HETATM 2131 CD ARG A 1 134.698 15.630 1.133 1.00 0.06 C HETATM 2132 NE ARG A 1 133.564 16.576 1.055 1.00 -0.27 N HETATM 2133 CZ ARG A 1 133.249 17.478 2.005 1.00 0.29 C HETATM 2134 NH1 ARG A 1 133.907 17.500 3.154 1.00 -0.28 N HETATM 2135 H12 ARG A 1 133.661 18.192 3.876 1.00 0.26 H HETATM 2136 H13 ARG A 1 134.665 16.825 3.326 1.00 0.26 H HETATM 2137 NH2 ARG A 1 132.262 18.342 1.799 1.00 -0.28 N HETATM 2138 H14 ARG A 1 131.746 18.331 0.908 1.00 0.26 H HETATM 2139 H15 ARG A 1 132.013 19.023 2.530 1.00 0.26 H HETATM 2140 H11 ARG A 1 132.972 16.543 0.213 1.00 0.26 H HETATM 2141 H9 ARG A 1 135.435 15.910 0.366 1.00 0.07 H HETATM 2142 H10 ARG A 1 135.154 15.719 2.130 1.00 0.07 H HETATM 2143 H7 ARG A 1 133.759 14.080 -0.041 1.00 0.03 H HETATM 2144 H8 ARG A 1 135.220 13.553 0.860 1.00 0.03 H HETATM 2145 H5 ARG A 1 133.332 12.522 1.903 1.00 0.03 H HETATM 2146 H6 ARG A 1 133.905 13.829 2.994 1.00 0.03 H HETATM 2147 H4 ARG A 1 132.060 15.290 2.050 1.00 0.11 H HETATM 2148 H1 ARG A 1 131.860 14.118 4.106 1.00 0.20 H HETATM 2149 H2 ARG A 1 131.245 12.793 3.348 1.00 0.20 H HETATM 2150 H3 ARG A 1 130.404 14.207 3.344 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1954 1955 2148 2149 2150 CONECT 1955 1954 1956 2129 2147 CONECT 1956 1955 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 2128 CONECT 1959 1958 1960 2122 2127 CONECT 1960 1959 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 2121 CONECT 1963 1962 1964 2115 2120 CONECT 1964 1963 1965 1966 CONECT 1965 1964 CONECT 1966 1964 1967 2114 CONECT 1967 1966 1968 2095 2113 CONECT 1968 1967 1969 1970 CONECT 1969 1968 CONECT 1970 1968 1971 2094 CONECT 1971 1970 1972 2085 2093 CONECT 1972 1971 1973 1974 CONECT 1973 1972 CONECT 1974 1972 1975 2084 CONECT 1975 1974 1976 2065 2083 CONECT 1976 1975 1977 1978 CONECT 1977 1976 CONECT 1978 1976 1979 2064 CONECT 1979 1978 1980 2045 2063 CONECT 1980 1979 1981 1982 CONECT 1981 1980 CONECT 1982 1980 1983 2044 CONECT 1983 1982 1984 2034 2043 CONECT 1984 1983 1985 1986 CONECT 1985 1984 CONECT 1986 1984 1987 2033 CONECT 1987 1986 1988 2024 2032 CONECT 1988 1987 1989 1990 CONECT 1989 1988 CONECT 1990 1988 1991 2023 CONECT 1991 1990 1992 2011 2022 CONECT 1992 1991 1993 1994 CONECT 1993 1992 CONECT 1994 1992 1995 2010 CONECT 1995 1994 1996 1999 2009 CONECT 1996 1995 1997 1998 CONECT 1997 1996 CONECT 1998 1996 CONECT 1999 1995 2000 2004 2008 CONECT 2000 1999 2001 2002 2003 CONECT 2001 2000 CONECT 2002 2000 CONECT 2003 2000 CONECT 2004 1999 2005 2006 2007 CONECT 2005 2004 CONECT 2006 2004 CONECT 2007 2004 CONECT 2008 1999 CONECT 2009 1995 CONECT 2010 1994 CONECT 2011 1991 2012 2020 2021 CONECT 2012 2011 2013 2018 2019 CONECT 2013 2012 2014 2015 CONECT 2014 2013 CONECT 2015 2013 2016 2017 CONECT 2016 2015 CONECT 2017 2015 CONECT 2018 2012 CONECT 2019 2012 CONECT 2020 2011 CONECT 2021 2011 CONECT 2022 1991 CONECT 2023 1990 CONECT 2024 1987 2025 2027 2031 CONECT 2025 2024 2026 CONECT 2026 2025 CONECT 2027 2024 2028 2029 2030 CONECT 2028 2027 CONECT 2029 2027 CONECT 2030 2027 CONECT 2031 2024 CONECT 2032 1987 CONECT 2033 1986 CONECT 2034 1983 2035 2041 2042 CONECT 2035 2034 2036 2039 2040 CONECT 2036 2035 2037 2038 CONECT 2037 2036 CONECT 2038 2036 CONECT 2039 2035 CONECT 2040 2035 CONECT 2041 2034 CONECT 2042 2034 CONECT 2043 1983 CONECT 2044 1982 CONECT 2045 1979 2046 2061 2062 CONECT 2046 2045 2047 2059 2060 CONECT 2047 2046 2048 2057 2058 CONECT 2048 2047 2049 2056 CONECT 2049 2048 2050 2053 CONECT 2050 2049 2051 2052 CONECT 2051 2050 CONECT 2052 2050 CONECT 2053 2049 2054 2055 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2048 CONECT 2057 2047 CONECT 2058 2047 CONECT 2059 2046 CONECT 2060 2046 CONECT 2061 2045 CONECT 2062 2045 CONECT 2063 1979 CONECT 2064 1978 CONECT 2065 1975 2066 2081 2082 CONECT 2066 2065 2067 2079 2080 CONECT 2067 2066 2068 2077 2078 CONECT 2068 2067 2069 2076 CONECT 2069 2068 2070 2073 CONECT 2070 2069 2071 2072 CONECT 2071 2070 CONECT 2072 2070 CONECT 2073 2069 2074 2075 CONECT 2074 2073 CONECT 2075 2073 CONECT 2076 2068 CONECT 2077 2067 CONECT 2078 2067 CONECT 2079 2066 CONECT 2080 2066 CONECT 2081 2065 CONECT 2082 2065 CONECT 2083 1975 CONECT 2084 1974 CONECT 2085 1971 2086 2088 2092 CONECT 2086 2085 2087 CONECT 2087 2086 CONECT 2088 2085 2089 2090 2091 CONECT 2089 2088 CONECT 2090 2088 CONECT 2091 2088 CONECT 2092 2085 CONECT 2093 1971 CONECT 2094 1970 CONECT 2095 1967 2096 2111 2112 CONECT 2096 2095 2097 2109 2110 CONECT 2097 2096 2098 2107 2108 CONECT 2098 2097 2099 2106 CONECT 2099 2098 2100 2103 CONECT 2100 2099 2101 2102 CONECT 2101 2100 CONECT 2102 2100 CONECT 2103 2099 2104 2105 CONECT 2104 2103 CONECT 2105 2103 CONECT 2106 2098 CONECT 2107 2097 CONECT 2108 2097 CONECT 2109 2096 CONECT 2110 2096 CONECT 2111 2095 CONECT 2112 2095 CONECT 2113 1967 CONECT 2114 1966 CONECT 2115 1963 2116 2118 2119 CONECT 2116 2115 2117 CONECT 2117 2116 CONECT 2118 2115 CONECT 2119 2115 CONECT 2120 1963 CONECT 2121 1962 CONECT 2122 1959 2123 2125 2126 CONECT 2123 2122 2124 CONECT 2124 2123 CONECT 2125 2122 CONECT 2126 2122 CONECT 2127 1959 CONECT 2128 1958 CONECT 2129 1955 2130 2145 2146 CONECT 2130 2129 2131 2143 2144 CONECT 2131 2130 2132 2141 2142 CONECT 2132 2131 2133 2140 CONECT 2133 2132 2134 2137 CONECT 2134 2133 2135 2136 CONECT 2135 2134 CONECT 2136 2134 CONECT 2137 2133 2138 2139 CONECT 2138 2137 CONECT 2139 2137 CONECT 2140 2132 CONECT 2141 2131 CONECT 2142 2131 CONECT 2143 2130 CONECT 2144 2130 CONECT 2145 2129 CONECT 2146 2129 CONECT 2147 1955 CONECT 2148 1954 CONECT 2149 1954 CONECT 2150 1954 MASTER 0 0 0 0 0 0 0 0 2149 1 201 10 END
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Entry Information
PDB ID
2kpl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
second PDZ domain of MAGI-1 (Membrane-associated guanylate kinase)
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.23uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Mol.Biol. Vol. 406: pp. 745-63.
Ligand Properties
Formula
C
5
3
H
1
0
3
N
2
4
O
1
9
Molecular Weight
1380.530
Exact Mass
1379.780
No. of atoms
199
No. of bonds
198
Polar Surface Area
781.29
LOGP Value
-3.63 (
Computed with XLOGP3
)
-11.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 60
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)[C@H](O)C)CCC(=O)O)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)[C@H](O)C)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CO
InChI String
InChI=1S/C53H98N24O19/c1-23(2)36(49(95)96)75-43(89)30(13-15-34(55)82)72-48(94)38(25(4)81)77-44(90)31(14-16-35(83)84)70-40(86)27(10-6-18-65-51(58)59)68-41(87)28(11-7-19-66-52(60)61)71-47(93)37(24(3)80)76-42(88)29(12-8-20-67-53(62)63)69-45(91)33(22-79)74-46(92)32(21-78)73-39(85)26(54)9-5-17-64-50(56)57/h23-33,36-38,78-81H,5-22,54H2,1-4H3,(H2,55,82)(H,68,87)(H,69,91)(H,70,86)(H,71,93)(H,72,94)(H,73,85)(H,74,92)(H,75,89)(H,76,88)(H,77,90)(H,83,84)(H,95,96)(H4,56,57,64)(H4,58,59,65)(H4,60,61,66)(H4,62,63,67)/p+5/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36+,37+,38+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96QZ7
P03126
Entrez Gene ID
NCBI Entrez Gene ID:
9223
1489078
ASD
Information of known allosteric effects of PDB entries
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