Browse entries in the PDBbind-CN Database
HEADER 2KSP_COMPLEX COMPND 2KSP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 GLY PRO LEU GLY SER ASP ASP VAL GLU TRP VAL VAL GLY SEQRES 2 A 105 LYS ASP LYS PRO THR TYR ASP GLU ILE PHE TYR THR LEU SEQRES 3 A 105 SER PRO VAL ASN GLY LYS ILE THR GLY ALA ASN ALA LYS SEQRES 4 A 105 LYS GLU MET VAL LYS SER LYS LEU PRO ASN THR VAL LEU SEQRES 5 A 105 GLY LYS ILE TRP LYS LEU ALA ASP VAL ASP LYS ASP GLY SEQRES 6 A 105 LEU LEU ASP ASP GLU GLU PHE ALA LEU ALA ASN HIS LEU SEQRES 7 A 105 ILE LYS VAL LYS LEU GLU GLY HIS GLU LEU PRO ALA ASP SEQRES 8 A 105 LEU PRO PRO HIS LEU VAL PRO PRO SER LYS ARG ARG HIS SEQRES 9 A 105 GLU HET CA A 1 1 HET LEU A 107 240 ATOM 1 N GLY A 35 -31.321 8.540 15.303 1.00 11.68 N ATOM 2 CA GLY A 35 -31.479 7.951 13.955 1.00 11.24 C ATOM 3 C GLY A 35 -30.470 6.855 13.684 1.00 10.62 C ATOM 4 O GLY A 35 -29.263 7.107 13.692 1.00 10.28 O ATOM 5 HA3 GLY A 35 -31.351 8.738 13.211 1.00 0.00 H ATOM 6 HA2 GLY A 35 -32.482 7.533 13.870 1.00 0.00 H ATOM 7 HN3 GLY A 35 -30.369 8.949 15.392 1.00 0.00 H ATOM 8 HN2 GLY A 35 -31.449 7.799 16.021 1.00 0.00 H ATOM 9 HN1 GLY A 35 -32.034 9.285 15.440 1.00 0.00 H ATOM 10 N PRO A 36 -30.934 5.616 13.454 1.00 10.58 N ATOM 11 CA PRO A 36 -30.060 4.491 13.135 1.00 10.06 C ATOM 12 C PRO A 36 -29.541 4.578 11.704 1.00 9.08 C ATOM 13 O PRO A 36 -30.267 4.295 10.746 1.00 8.86 O ATOM 14 CB PRO A 36 -30.964 3.254 13.307 1.00 10.56 C ATOM 15 CG PRO A 36 -32.247 3.760 13.885 1.00 11.24 C ATOM 16 CD PRO A 36 -32.342 5.203 13.483 1.00 11.17 C ATOM 17 HA PRO A 36 -29.176 4.464 13.772 1.00 0.00 H ATOM 18 HD3 PRO A 36 -32.805 5.310 12.502 1.00 0.00 H ATOM 19 HD2 PRO A 36 -32.907 5.780 14.215 1.00 0.00 H ATOM 20 HG3 PRO A 36 -32.235 3.669 14.971 1.00 0.00 H ATOM 21 HG2 PRO A 36 -33.091 3.199 13.484 1.00 0.00 H ATOM 22 HB2 PRO A 36 -31.144 2.779 12.343 1.00 0.00 H ATOM 23 HB3 PRO A 36 -30.500 2.536 13.984 1.00 0.00 H ATOM 24 N LEU A 37 -28.296 5.008 11.564 1.00 8.62 N ATOM 25 CA LEU A 37 -27.676 5.116 10.253 1.00 7.75 C ATOM 26 C LEU A 37 -27.176 3.755 9.792 1.00 7.28 C ATOM 27 O LEU A 37 -26.727 2.943 10.603 1.00 7.65 O ATOM 28 CB LEU A 37 -26.530 6.129 10.278 1.00 7.67 C ATOM 29 CG LEU A 37 -26.936 7.560 10.643 1.00 8.22 C ATOM 30 CD1 LEU A 37 -25.720 8.476 10.626 1.00 8.45 C ATOM 31 CD2 LEU A 37 -28.016 8.074 9.694 1.00 8.21 C ATOM 32 HA LEU A 37 -28.426 5.469 9.545 1.00 0.00 H ATOM 33 HB2 LEU A 37 -25.795 5.790 11.008 1.00 0.00 H ATOM 34 HB3 LEU A 37 -26.075 6.149 9.288 1.00 0.00 H ATOM 35 HG LEU A 37 -27.349 7.555 11.652 1.00 0.00 H ATOM 36 HD21 LEU A 37 -27.635 8.065 8.673 1.00 0.00 H ATOM 37 HD22 LEU A 37 -28.893 7.431 9.761 1.00 0.00 H ATOM 38 HD23 LEU A 37 -28.288 9.092 9.973 1.00 0.00 H ATOM 39 HD11 LEU A 37 -24.987 8.118 11.349 1.00 0.00 H ATOM 40 HD12 LEU A 37 -25.279 8.474 9.629 1.00 0.00 H ATOM 41 HD13 LEU A 37 -26.026 9.489 10.888 1.00 0.00 H ATOM 42 H LEU A 37 -27.751 5.274 12.409 1.00 0.00 H ATOM 43 N GLY A 38 -27.258 3.515 8.489 1.00 6.64 N ATOM 44 CA GLY A 38 -26.893 2.225 7.940 1.00 6.23 C ATOM 45 C GLY A 38 -25.393 2.032 7.824 1.00 5.52 C ATOM 46 O GLY A 38 -24.617 2.970 8.017 1.00 5.30 O ATOM 47 HA3 GLY A 38 -27.333 2.133 6.947 1.00 0.00 H ATOM 48 HA2 GLY A 38 -27.295 1.446 8.588 1.00 0.00 H ATOM 49 H GLY A 38 -27.590 4.266 7.851 1.00 0.00 H ATOM 50 N SER A 39 -24.992 0.810 7.516 1.00 5.34 N ATOM 51 CA SER A 39 -23.587 0.487 7.345 1.00 4.78 C ATOM 52 C SER A 39 -23.166 0.720 5.896 1.00 4.17 C ATOM 53 O SER A 39 -23.785 0.191 4.969 1.00 4.30 O ATOM 54 CB SER A 39 -23.336 -0.968 7.760 1.00 5.21 C ATOM 55 OG SER A 39 -24.345 -1.826 7.245 1.00 5.85 O ATOM 56 HA SER A 39 -22.987 1.138 7.981 1.00 0.00 H ATOM 57 HB2 SER A 39 -23.333 -1.033 8.848 1.00 0.00 H ATOM 58 HB3 SER A 39 -22.367 -1.286 7.376 1.00 0.00 H ATOM 59 HG SER A 39 -24.348 -1.773 6.256 1.00 0.00 H ATOM 60 H SER A 39 -25.702 0.060 7.393 1.00 0.00 H ATOM 61 N ASP A 40 -22.129 1.524 5.703 1.00 3.75 N ATOM 62 CA ASP A 40 -21.629 1.819 4.371 1.00 3.33 C ATOM 63 C ASP A 40 -20.626 0.762 3.941 1.00 2.95 C ATOM 64 O ASP A 40 -19.455 0.807 4.317 1.00 3.12 O ATOM 65 CB ASP A 40 -20.990 3.210 4.325 1.00 3.57 C ATOM 66 CG ASP A 40 -20.555 3.602 2.926 1.00 3.59 C ATOM 67 OD1 ASP A 40 -21.351 3.426 1.977 1.00 4.01 O ATOM 68 OD2 ASP A 40 -19.400 4.057 2.761 1.00 3.65 O ATOM 69 HA ASP A 40 -22.471 1.808 3.678 1.00 0.00 H ATOM 70 HB2 ASP A 40 -21.715 3.940 4.684 1.00 0.00 H ATOM 71 HB3 ASP A 40 -20.117 3.216 4.978 1.00 0.00 H ATOM 72 H ASP A 40 -21.662 1.954 6.526 1.00 0.00 H ATOM 73 N ASP A 41 -21.102 -0.209 3.179 1.00 2.83 N ATOM 74 CA ASP A 41 -20.257 -1.299 2.722 1.00 2.69 C ATOM 75 C ASP A 41 -19.847 -1.067 1.278 1.00 2.13 C ATOM 76 O ASP A 41 -20.607 -1.335 0.344 1.00 2.29 O ATOM 77 CB ASP A 41 -20.973 -2.645 2.867 1.00 3.37 C ATOM 78 CG ASP A 41 -20.073 -3.823 2.540 1.00 3.54 C ATOM 79 OD1 ASP A 41 -19.121 -4.079 3.306 1.00 3.81 O ATOM 80 OD2 ASP A 41 -20.321 -4.511 1.530 1.00 3.86 O ATOM 81 HA ASP A 41 -19.362 -1.327 3.344 1.00 0.00 H ATOM 82 HB2 ASP A 41 -21.322 -2.746 3.895 1.00 0.00 H ATOM 83 HB3 ASP A 41 -21.828 -2.660 2.191 1.00 0.00 H ATOM 84 H ASP A 41 -22.104 -0.192 2.901 1.00 0.00 H ATOM 85 N VAL A 42 -18.658 -0.525 1.108 1.00 1.70 N ATOM 86 CA VAL A 42 -18.128 -0.228 -0.209 1.00 1.24 C ATOM 87 C VAL A 42 -17.366 -1.439 -0.748 1.00 1.05 C ATOM 88 O VAL A 42 -16.872 -2.262 0.026 1.00 1.25 O ATOM 89 CB VAL A 42 -17.210 1.017 -0.150 1.00 1.36 C ATOM 90 CG1 VAL A 42 -15.961 0.737 0.673 1.00 1.61 C ATOM 91 CG2 VAL A 42 -16.849 1.506 -1.542 1.00 1.84 C ATOM 92 HA VAL A 42 -18.955 -0.009 -0.885 1.00 0.00 H ATOM 93 HB VAL A 42 -17.766 1.813 0.344 1.00 0.00 H ATOM 94 HG11 VAL A 42 -16.250 0.467 1.689 1.00 0.00 H ATOM 95 HG12 VAL A 42 -15.406 -0.085 0.221 1.00 0.00 H ATOM 96 HG13 VAL A 42 -15.335 1.629 0.697 1.00 0.00 H ATOM 97 HG21 VAL A 42 -16.326 0.715 -2.079 1.00 0.00 H ATOM 98 HG22 VAL A 42 -17.759 1.772 -2.080 1.00 0.00 H ATOM 99 HG23 VAL A 42 -16.204 2.381 -1.462 1.00 0.00 H ATOM 100 H VAL A 42 -18.081 -0.303 1.945 1.00 0.00 H ATOM 101 N GLU A 43 -17.279 -1.559 -2.066 1.00 1.01 N ATOM 102 CA GLU A 43 -16.603 -2.697 -2.668 1.00 1.02 C ATOM 103 C GLU A 43 -15.090 -2.517 -2.638 1.00 0.87 C ATOM 104 O GLU A 43 -14.484 -1.993 -3.575 1.00 0.83 O ATOM 105 CB GLU A 43 -17.082 -2.966 -4.106 1.00 1.31 C ATOM 106 CG GLU A 43 -17.099 -1.749 -5.021 1.00 1.47 C ATOM 107 CD GLU A 43 -18.296 -0.859 -4.777 1.00 2.31 C ATOM 108 OE1 GLU A 43 -19.389 -1.176 -5.286 1.00 2.57 O ATOM 109 OE2 GLU A 43 -18.156 0.148 -4.064 1.00 3.02 O ATOM 110 HA GLU A 43 -16.863 -3.568 -2.067 1.00 0.00 H ATOM 111 HB2 GLU A 43 -16.421 -3.712 -4.548 1.00 0.00 H ATOM 112 HB3 GLU A 43 -18.095 -3.365 -4.055 1.00 0.00 H ATOM 113 HG2 GLU A 43 -16.192 -1.170 -4.850 1.00 0.00 H ATOM 114 HG3 GLU A 43 -17.121 -2.090 -6.056 1.00 0.00 H ATOM 115 H GLU A 43 -17.700 -0.830 -2.677 1.00 0.00 H ATOM 116 N TRP A 44 -14.489 -2.935 -1.538 1.00 0.85 N ATOM 117 CA TRP A 44 -13.043 -2.942 -1.418 1.00 0.73 C ATOM 118 C TRP A 44 -12.508 -4.203 -2.085 1.00 0.63 C ATOM 119 O TRP A 44 -12.483 -5.276 -1.476 1.00 0.64 O ATOM 120 CB TRP A 44 -12.627 -2.881 0.057 1.00 0.78 C ATOM 121 CG TRP A 44 -11.195 -2.480 0.270 1.00 0.67 C ATOM 122 CD1 TRP A 44 -10.570 -1.385 -0.246 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.220 -3.157 1.072 1.00 0.61 C ATOM 124 NE1 TRP A 44 -9.264 -1.342 0.176 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.025 -2.416 0.991 1.00 0.60 C ATOM 126 CE3 TRP A 44 -10.239 -4.314 1.851 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -7.866 -2.802 1.659 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -9.088 -4.693 2.514 1.00 0.67 C ATOM 129 CH2 TRP A 44 -7.917 -3.939 2.415 1.00 0.67 C ATOM 130 HA TRP A 44 -12.624 -2.065 -1.912 1.00 0.00 H ATOM 131 HB2 TRP A 44 -13.265 -2.157 0.564 1.00 0.00 H ATOM 132 HB3 TRP A 44 -12.777 -3.867 0.497 1.00 0.00 H ATOM 133 HE1 TRP A 44 -8.569 -0.612 -0.082 1.00 0.00 H ATOM 134 HD1 TRP A 44 -11.039 -0.649 -0.899 1.00 0.00 H ATOM 135 HZ2 TRP A 44 -6.949 -2.217 1.582 1.00 0.00 H ATOM 136 HH2 TRP A 44 -7.026 -4.264 2.952 1.00 0.00 H ATOM 137 HZ3 TRP A 44 -9.094 -5.596 3.125 1.00 0.00 H ATOM 138 HE3 TRP A 44 -11.148 -4.910 1.935 1.00 0.00 H ATOM 139 H TRP A 44 -15.066 -3.267 -0.739 1.00 0.00 H ATOM 140 N VAL A 45 -12.111 -4.069 -3.350 1.00 0.62 N ATOM 141 CA VAL A 45 -11.677 -5.210 -4.159 1.00 0.60 C ATOM 142 C VAL A 45 -10.527 -5.967 -3.517 1.00 0.54 C ATOM 143 O VAL A 45 -10.367 -7.162 -3.740 1.00 0.62 O ATOM 144 CB VAL A 45 -11.264 -4.792 -5.587 1.00 0.73 C ATOM 145 CG1 VAL A 45 -12.474 -4.306 -6.370 1.00 1.24 C ATOM 146 CG2 VAL A 45 -10.174 -3.727 -5.557 1.00 1.09 C ATOM 147 HA VAL A 45 -12.545 -5.867 -4.219 1.00 0.00 H ATOM 148 HB VAL A 45 -10.856 -5.668 -6.091 1.00 0.00 H ATOM 149 HG11 VAL A 45 -13.210 -5.108 -6.434 1.00 0.00 H ATOM 150 HG12 VAL A 45 -12.913 -3.447 -5.862 1.00 0.00 H ATOM 151 HG13 VAL A 45 -12.163 -4.016 -7.374 1.00 0.00 H ATOM 152 HG21 VAL A 45 -10.542 -2.847 -5.030 1.00 0.00 H ATOM 153 HG22 VAL A 45 -9.297 -4.120 -5.042 1.00 0.00 H ATOM 154 HG23 VAL A 45 -9.906 -3.455 -6.578 1.00 0.00 H ATOM 155 H VAL A 45 -12.109 -3.121 -3.778 1.00 0.00 H ATOM 156 N VAL A 46 -9.750 -5.274 -2.695 1.00 0.52 N ATOM 157 CA VAL A 46 -8.607 -5.880 -2.033 1.00 0.53 C ATOM 158 C VAL A 46 -9.053 -7.005 -1.100 1.00 0.52 C ATOM 159 O VAL A 46 -8.270 -7.882 -0.752 1.00 0.51 O ATOM 160 CB VAL A 46 -7.799 -4.824 -1.249 1.00 0.63 C ATOM 161 CG1 VAL A 46 -6.537 -5.423 -0.646 1.00 1.25 C ATOM 162 CG2 VAL A 46 -7.449 -3.656 -2.154 1.00 1.30 C ATOM 163 HA VAL A 46 -7.962 -6.304 -2.803 1.00 0.00 H ATOM 164 HB VAL A 46 -8.421 -4.466 -0.429 1.00 0.00 H ATOM 165 HG11 VAL A 46 -6.809 -6.228 0.037 1.00 0.00 H ATOM 166 HG12 VAL A 46 -5.907 -5.818 -1.443 1.00 0.00 H ATOM 167 HG13 VAL A 46 -5.994 -4.650 -0.102 1.00 0.00 H ATOM 168 HG21 VAL A 46 -6.852 -4.014 -2.992 1.00 0.00 H ATOM 169 HG22 VAL A 46 -8.366 -3.200 -2.528 1.00 0.00 H ATOM 170 HG23 VAL A 46 -6.879 -2.918 -1.589 1.00 0.00 H ATOM 171 H VAL A 46 -9.964 -4.271 -2.520 1.00 0.00 H ATOM 172 N GLY A 47 -10.330 -6.996 -0.727 1.00 0.57 N ATOM 173 CA GLY A 47 -10.875 -8.070 0.087 1.00 0.58 C ATOM 174 C GLY A 47 -10.810 -9.412 -0.624 1.00 0.57 C ATOM 175 O GLY A 47 -10.802 -10.463 0.016 1.00 0.62 O ATOM 176 HA3 GLY A 47 -11.916 -7.844 0.318 1.00 0.00 H ATOM 177 HA2 GLY A 47 -10.304 -8.134 1.013 1.00 0.00 H ATOM 178 H GLY A 47 -10.946 -6.211 -1.021 1.00 0.00 H ATOM 179 N LYS A 48 -10.752 -9.369 -1.953 1.00 0.59 N ATOM 180 CA LYS A 48 -10.633 -10.571 -2.770 1.00 0.67 C ATOM 181 C LYS A 48 -9.165 -10.973 -2.865 1.00 0.65 C ATOM 182 O LYS A 48 -8.822 -12.146 -3.009 1.00 0.80 O ATOM 183 CB LYS A 48 -11.167 -10.296 -4.182 1.00 0.77 C ATOM 184 CG LYS A 48 -12.467 -9.506 -4.226 1.00 1.27 C ATOM 185 CD LYS A 48 -13.613 -10.225 -3.535 1.00 1.65 C ATOM 186 CE LYS A 48 -14.880 -9.389 -3.604 1.00 2.24 C ATOM 187 NZ LYS A 48 -16.053 -10.067 -2.988 1.00 2.99 N ATOM 188 HA LYS A 48 -11.211 -11.374 -2.312 1.00 0.00 H ATOM 189 HB2 LYS A 48 -10.409 -9.735 -4.729 1.00 0.00 H ATOM 190 HB3 LYS A 48 -11.334 -11.254 -4.675 1.00 0.00 H ATOM 191 HG2 LYS A 48 -12.309 -8.546 -3.734 1.00 0.00 H ATOM 192 HG3 LYS A 48 -12.738 -9.338 -5.268 1.00 0.00 H ATOM 193 HD2 LYS A 48 -13.786 -11.182 -4.027 1.00 0.00 H ATOM 194 HD3 LYS A 48 -13.352 -10.397 -2.491 1.00 0.00 H ATOM 195 HE2 LYS A 48 -15.106 -9.184 -4.650 1.00 0.00 H ATOM 196 HE3 LYS A 48 -14.706 -8.449 -3.080 1.00 0.00 H ATOM 197 HZ1 LYS A 48 -16.235 -10.962 -3.485 1.00 0.00 H ATOM 198 HZ2 LYS A 48 -15.853 -10.260 -1.986 1.00 0.00 H ATOM 199 HZ3 LYS A 48 -16.887 -9.451 -3.064 1.00 0.00 H ATOM 200 H LYS A 48 -10.793 -8.444 -2.426 1.00 0.00 H ATOM 201 N ASP A 49 -8.318 -9.966 -2.756 1.00 0.61 N ATOM 202 CA ASP A 49 -6.871 -10.109 -2.907 1.00 0.70 C ATOM 203 C ASP A 49 -6.213 -10.554 -1.599 1.00 0.53 C ATOM 204 O ASP A 49 -5.169 -11.211 -1.600 1.00 0.46 O ATOM 205 CB ASP A 49 -6.273 -8.756 -3.308 1.00 0.96 C ATOM 206 CG ASP A 49 -6.607 -8.291 -4.717 1.00 1.38 C ATOM 207 OD1 ASP A 49 -7.817 -8.191 -5.046 1.00 1.82 O ATOM 208 OD2 ASP A 49 -5.680 -8.094 -5.521 1.00 1.80 O ATOM 209 HA ASP A 49 -6.685 -10.865 -3.670 1.00 0.00 H ATOM 210 HB2 ASP A 49 -6.640 -8.005 -2.609 1.00 0.00 H ATOM 211 HB3 ASP A 49 -5.189 -8.829 -3.225 1.00 0.00 H ATOM 212 H ASP A 49 -8.701 -9.021 -2.552 1.00 0.00 H ATOM 213 N LYS A 50 -6.849 -10.187 -0.494 1.00 0.52 N ATOM 214 CA LYS A 50 -6.268 -10.289 0.847 1.00 0.46 C ATOM 215 C LYS A 50 -5.598 -11.622 1.169 1.00 0.43 C ATOM 216 O LYS A 50 -4.435 -11.614 1.550 1.00 0.43 O ATOM 217 CB LYS A 50 -7.312 -9.964 1.910 1.00 0.51 C ATOM 218 CG LYS A 50 -7.552 -8.477 2.075 1.00 0.55 C ATOM 219 CD LYS A 50 -6.294 -7.752 2.514 1.00 0.74 C ATOM 220 CE LYS A 50 -6.197 -7.628 4.032 1.00 0.79 C ATOM 221 NZ LYS A 50 -5.839 -8.913 4.696 1.00 0.93 N ATOM 222 HA LYS A 50 -5.466 -9.551 0.856 1.00 0.00 H ATOM 223 HB2 LYS A 50 -8.252 -10.438 1.629 1.00 0.00 H ATOM 224 HB3 LYS A 50 -6.973 -10.369 2.864 1.00 0.00 H ATOM 225 HG2 LYS A 50 -7.884 -8.064 1.122 1.00 0.00 H ATOM 226 HG3 LYS A 50 -8.328 -8.325 2.825 1.00 0.00 H ATOM 227 HD2 LYS A 50 -5.427 -8.303 2.151 1.00 0.00 H ATOM 228 HD3 LYS A 50 -6.296 -6.752 2.080 1.00 0.00 H ATOM 229 HE2 LYS A 50 -7.161 -7.294 4.416 1.00 0.00 H ATOM 230 HE3 LYS A 50 -5.435 -6.887 4.273 1.00 0.00 H ATOM 231 HZ1 LYS A 50 -6.564 -9.627 4.481 1.00 0.00 H ATOM 232 HZ2 LYS A 50 -4.916 -9.238 4.344 1.00 0.00 H ATOM 233 HZ3 LYS A 50 -5.788 -8.768 5.725 1.00 0.00 H ATOM 234 H LYS A 50 -7.812 -9.806 -0.585 1.00 0.00 H ATOM 235 N PRO A 51 -6.283 -12.777 1.030 1.00 0.46 N ATOM 236 CA PRO A 51 -5.730 -14.077 1.455 1.00 0.48 C ATOM 237 C PRO A 51 -4.321 -14.326 0.916 1.00 0.42 C ATOM 238 O PRO A 51 -3.434 -14.790 1.637 1.00 0.44 O ATOM 239 CB PRO A 51 -6.704 -15.104 0.863 1.00 0.57 C ATOM 240 CG PRO A 51 -7.543 -14.340 -0.106 1.00 0.54 C ATOM 241 CD PRO A 51 -7.619 -12.945 0.434 1.00 0.51 C ATOM 242 HA PRO A 51 -5.637 -14.129 2.540 1.00 0.00 H ATOM 243 HD3 PRO A 51 -7.793 -12.220 -0.362 1.00 0.00 H ATOM 244 HD2 PRO A 51 -8.403 -12.853 1.185 1.00 0.00 H ATOM 245 HG3 PRO A 51 -8.539 -14.777 -0.173 1.00 0.00 H ATOM 246 HG2 PRO A 51 -7.080 -14.341 -1.093 1.00 0.00 H ATOM 247 HB2 PRO A 51 -6.158 -15.898 0.353 1.00 0.00 H ATOM 248 HB3 PRO A 51 -7.325 -15.537 1.647 1.00 0.00 H ATOM 249 N THR A 52 -4.116 -13.973 -0.344 1.00 0.39 N ATOM 250 CA THR A 52 -2.852 -14.236 -1.016 1.00 0.41 C ATOM 251 C THR A 52 -1.740 -13.341 -0.464 1.00 0.35 C ATOM 252 O THR A 52 -0.630 -13.801 -0.168 1.00 0.38 O ATOM 253 CB THR A 52 -2.995 -14.016 -2.536 1.00 0.51 C ATOM 254 OG1 THR A 52 -4.108 -14.783 -3.026 1.00 0.67 O ATOM 255 CG2 THR A 52 -1.725 -14.431 -3.271 1.00 0.56 C ATOM 256 HA THR A 52 -2.583 -15.276 -0.829 1.00 0.00 H ATOM 257 HB THR A 52 -3.164 -12.955 -2.718 1.00 0.00 H ATOM 258 HG1 THR A 52 -4.200 -14.642 -4.002 1.00 0.00 H ATOM 259 HG23 THR A 52 -0.883 -13.848 -2.897 1.00 0.00 H ATOM 260 HG21 THR A 52 -1.538 -15.491 -3.101 1.00 0.00 H ATOM 261 HG22 THR A 52 -1.849 -14.250 -4.339 1.00 0.00 H ATOM 262 H THR A 52 -4.878 -13.496 -0.867 1.00 0.00 H ATOM 263 N TYR A 53 -2.055 -12.071 -0.278 1.00 0.33 N ATOM 264 CA TYR A 53 -1.081 -11.121 0.232 1.00 0.37 C ATOM 265 C TYR A 53 -0.903 -11.304 1.728 1.00 0.32 C ATOM 266 O TYR A 53 0.095 -10.882 2.296 1.00 0.35 O ATOM 267 CB TYR A 53 -1.515 -9.695 -0.075 1.00 0.48 C ATOM 268 CG TYR A 53 -1.822 -9.468 -1.536 1.00 0.57 C ATOM 269 CD1 TYR A 53 -1.002 -9.991 -2.524 1.00 0.67 C ATOM 270 CD2 TYR A 53 -2.934 -8.729 -1.928 1.00 0.65 C ATOM 271 CE1 TYR A 53 -1.284 -9.787 -3.860 1.00 0.76 C ATOM 272 CE2 TYR A 53 -3.219 -8.521 -3.264 1.00 0.76 C ATOM 273 CZ TYR A 53 -2.382 -9.045 -4.226 1.00 0.81 C ATOM 274 OH TYR A 53 -2.657 -8.844 -5.561 1.00 0.92 O ATOM 275 HA TYR A 53 -0.127 -11.306 -0.261 1.00 0.00 H ATOM 276 HB3 TYR A 53 -0.714 -9.018 0.220 1.00 0.00 H ATOM 277 HB2 TYR A 53 -2.410 -9.472 0.506 1.00 0.00 H ATOM 278 HD2 TYR A 53 -3.592 -8.307 -1.168 1.00 0.00 H ATOM 279 HE2 TYR A 53 -4.099 -7.947 -3.555 1.00 0.00 H ATOM 280 HE1 TYR A 53 -0.636 -10.214 -4.625 1.00 0.00 H ATOM 281 HD1 TYR A 53 -0.123 -10.571 -2.242 1.00 0.00 H ATOM 282 HH TYR A 53 -3.542 -9.231 -5.776 1.00 0.00 H ATOM 283 H TYR A 53 -3.017 -11.746 -0.501 1.00 0.00 H ATOM 284 N ASP A 54 -1.883 -11.938 2.351 1.00 0.32 N ATOM 285 CA ASP A 54 -1.803 -12.273 3.766 1.00 0.40 C ATOM 286 C ASP A 54 -0.711 -13.309 3.965 1.00 0.43 C ATOM 287 O ASP A 54 0.124 -13.190 4.862 1.00 0.49 O ATOM 288 CB ASP A 54 -3.146 -12.830 4.257 1.00 0.50 C ATOM 289 CG ASP A 54 -3.204 -12.995 5.764 1.00 1.22 C ATOM 290 OD1 ASP A 54 -2.797 -14.064 6.268 1.00 1.86 O ATOM 291 OD2 ASP A 54 -3.682 -12.063 6.451 1.00 1.46 O ATOM 292 HA ASP A 54 -1.571 -11.375 4.339 1.00 0.00 H ATOM 293 HB2 ASP A 54 -3.938 -12.147 3.951 1.00 0.00 H ATOM 294 HB3 ASP A 54 -3.309 -13.803 3.794 1.00 0.00 H ATOM 295 H ASP A 54 -2.734 -12.204 1.816 1.00 0.00 H ATOM 296 N GLU A 55 -0.705 -14.307 3.086 1.00 0.43 N ATOM 297 CA GLU A 55 0.319 -15.338 3.101 1.00 0.52 C ATOM 298 C GLU A 55 1.697 -14.728 2.854 1.00 0.52 C ATOM 299 O GLU A 55 2.661 -15.034 3.561 1.00 0.70 O ATOM 300 CB GLU A 55 -0.002 -16.378 2.034 1.00 0.57 C ATOM 301 CG GLU A 55 -1.306 -17.114 2.284 1.00 1.01 C ATOM 302 CD GLU A 55 -1.563 -18.204 1.267 1.00 1.39 C ATOM 303 OE1 GLU A 55 -1.627 -17.888 0.059 1.00 2.00 O ATOM 304 OE2 GLU A 55 -1.702 -19.380 1.664 1.00 1.90 O ATOM 305 HA GLU A 55 0.333 -15.817 4.080 1.00 0.00 H ATOM 306 HB2 GLU A 55 -0.068 -15.875 1.069 1.00 0.00 H ATOM 307 HB3 GLU A 55 0.807 -17.108 2.007 1.00 0.00 H ATOM 308 HG2 GLU A 55 -1.269 -17.564 3.276 1.00 0.00 H ATOM 309 HG3 GLU A 55 -2.126 -16.397 2.242 1.00 0.00 H ATOM 310 H GLU A 55 -1.455 -14.351 2.367 1.00 0.00 H ATOM 311 N ILE A 56 1.782 -13.845 1.860 1.00 0.40 N ATOM 312 CA ILE A 56 3.041 -13.164 1.548 1.00 0.42 C ATOM 313 C ILE A 56 3.488 -12.292 2.726 1.00 0.40 C ATOM 314 O ILE A 56 4.671 -12.240 3.068 1.00 0.52 O ATOM 315 CB ILE A 56 2.917 -12.293 0.280 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.427 -13.137 -0.899 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.253 -11.644 -0.052 1.00 0.53 C ATOM 318 CD1 ILE A 56 2.154 -12.331 -2.152 1.00 0.52 C ATOM 319 HA ILE A 56 3.789 -13.935 1.363 1.00 0.00 H ATOM 320 HB ILE A 56 2.188 -11.505 0.471 1.00 0.00 H ATOM 321 HG12 ILE A 56 3.188 -13.883 -1.128 1.00 0.00 H ATOM 322 HG13 ILE A 56 1.505 -13.638 -0.604 1.00 0.00 H ATOM 323 HD11 ILE A 56 1.386 -11.586 -1.943 1.00 0.00 H ATOM 324 HD12 ILE A 56 3.070 -11.831 -2.468 1.00 0.00 H ATOM 325 HD13 ILE A 56 1.811 -12.997 -2.943 1.00 0.00 H ATOM 326 HG21 ILE A 56 4.567 -11.016 0.781 1.00 0.00 H ATOM 327 HG22 ILE A 56 4.999 -12.419 -0.225 1.00 0.00 H ATOM 328 HG23 ILE A 56 4.146 -11.034 -0.949 1.00 0.00 H ATOM 329 H ILE A 56 0.936 -13.635 1.293 1.00 0.00 H ATOM 330 N PHE A 57 2.524 -11.642 3.354 1.00 0.31 N ATOM 331 CA PHE A 57 2.767 -10.797 4.520 1.00 0.31 C ATOM 332 C PHE A 57 3.413 -11.605 5.645 1.00 0.35 C ATOM 333 O PHE A 57 4.292 -11.114 6.354 1.00 0.40 O ATOM 334 CB PHE A 57 1.432 -10.197 4.976 1.00 0.29 C ATOM 335 CG PHE A 57 1.495 -9.353 6.216 1.00 0.31 C ATOM 336 CD1 PHE A 57 2.039 -8.079 6.178 1.00 0.32 C ATOM 337 CD2 PHE A 57 0.994 -9.829 7.416 1.00 0.40 C ATOM 338 CE1 PHE A 57 2.084 -7.301 7.316 1.00 0.36 C ATOM 339 CE2 PHE A 57 1.033 -9.055 8.556 1.00 0.43 C ATOM 340 CZ PHE A 57 1.581 -7.788 8.506 1.00 0.40 C ATOM 341 HA PHE A 57 3.456 -9.994 4.256 1.00 0.00 H ATOM 342 HB2 PHE A 57 1.048 -9.577 4.166 1.00 0.00 H ATOM 343 HB3 PHE A 57 0.740 -11.018 5.163 1.00 0.00 H ATOM 344 HD2 PHE A 57 0.563 -10.829 7.460 1.00 0.00 H ATOM 345 HE2 PHE A 57 0.633 -9.441 9.493 1.00 0.00 H ATOM 346 HZ PHE A 57 1.616 -7.173 9.405 1.00 0.00 H ATOM 347 HE1 PHE A 57 2.517 -6.301 7.276 1.00 0.00 H ATOM 348 HD1 PHE A 57 2.435 -7.688 5.241 1.00 0.00 H ATOM 349 H PHE A 57 1.550 -11.736 3.003 1.00 0.00 H ATOM 350 N TYR A 58 2.990 -12.857 5.787 1.00 0.35 N ATOM 351 CA TYR A 58 3.535 -13.736 6.814 1.00 0.41 C ATOM 352 C TYR A 58 4.926 -14.254 6.449 1.00 0.43 C ATOM 353 O TYR A 58 5.719 -14.580 7.333 1.00 0.46 O ATOM 354 CB TYR A 58 2.602 -14.925 7.045 1.00 0.50 C ATOM 355 CG TYR A 58 1.459 -14.656 7.997 1.00 0.91 C ATOM 356 CD1 TYR A 58 0.563 -13.627 7.747 1.00 1.23 C ATOM 357 CD2 TYR A 58 1.283 -15.411 9.149 1.00 1.50 C ATOM 358 CE1 TYR A 58 -0.476 -13.358 8.613 1.00 1.92 C ATOM 359 CE2 TYR A 58 0.248 -15.146 10.024 1.00 2.18 C ATOM 360 CZ TYR A 58 -0.654 -14.204 9.742 1.00 2.35 C ATOM 361 OH TYR A 58 -1.655 -13.845 10.624 1.00 3.08 O ATOM 362 HA TYR A 58 3.620 -13.145 7.726 1.00 0.00 H ATOM 363 HB3 TYR A 58 3.193 -15.747 7.448 1.00 0.00 H ATOM 364 HB2 TYR A 58 2.181 -15.218 6.083 1.00 0.00 H ATOM 365 HD2 TYR A 58 1.973 -16.226 9.366 1.00 0.00 H ATOM 366 HE2 TYR A 58 0.167 -15.711 10.953 1.00 0.00 H ATOM 367 HE1 TYR A 58 -1.145 -12.516 8.436 1.00 0.00 H ATOM 368 HD1 TYR A 58 0.682 -13.020 6.850 1.00 0.00 H ATOM 369 HH TYR A 58 -2.210 -13.132 10.219 1.00 0.00 H ATOM 370 H TYR A 58 2.252 -13.218 5.150 1.00 0.00 H ATOM 371 N THR A 59 5.246 -14.301 5.159 1.00 0.44 N ATOM 372 CA THR A 59 6.537 -14.828 4.734 1.00 0.48 C ATOM 373 C THR A 59 7.635 -13.778 4.860 1.00 0.42 C ATOM 374 O THR A 59 8.824 -14.103 4.834 1.00 0.45 O ATOM 375 CB THR A 59 6.506 -15.386 3.292 1.00 0.59 C ATOM 376 OG1 THR A 59 5.998 -14.410 2.373 1.00 0.63 O ATOM 377 CG2 THR A 59 5.653 -16.642 3.219 1.00 0.75 C ATOM 378 HA THR A 59 6.760 -15.657 5.405 1.00 0.00 H ATOM 379 HB THR A 59 7.531 -15.632 3.014 1.00 0.00 H ATOM 380 HG1 THR A 59 5.077 -14.158 2.636 1.00 0.00 H ATOM 381 HG23 THR A 59 6.040 -17.384 3.918 1.00 0.00 H ATOM 382 HG21 THR A 59 4.624 -16.396 3.481 1.00 0.00 H ATOM 383 HG22 THR A 59 5.686 -17.044 2.206 1.00 0.00 H ATOM 384 H THR A 59 4.569 -13.959 4.447 1.00 0.00 H ATOM 385 N LEU A 60 7.236 -12.521 5.019 1.00 0.37 N ATOM 386 CA LEU A 60 8.191 -11.436 5.203 1.00 0.38 C ATOM 387 C LEU A 60 8.478 -11.214 6.685 1.00 0.41 C ATOM 388 O LEU A 60 9.215 -10.299 7.048 1.00 0.56 O ATOM 389 CB LEU A 60 7.671 -10.142 4.575 1.00 0.40 C ATOM 390 CG LEU A 60 7.630 -10.137 3.046 1.00 0.52 C ATOM 391 CD1 LEU A 60 7.052 -8.830 2.533 1.00 1.26 C ATOM 392 CD2 LEU A 60 9.027 -10.353 2.477 1.00 1.25 C ATOM 393 HA LEU A 60 9.118 -11.719 4.704 1.00 0.00 H ATOM 394 HB2 LEU A 60 6.659 -9.971 4.941 1.00 0.00 H ATOM 395 HB3 LEU A 60 8.316 -9.325 4.899 1.00 0.00 H ATOM 396 HG LEU A 60 6.988 -10.954 2.717 1.00 0.00 H ATOM 397 HD21 LEU A 60 9.684 -9.553 2.818 1.00 0.00 H ATOM 398 HD22 LEU A 60 9.413 -11.313 2.819 1.00 0.00 H ATOM 399 HD23 LEU A 60 8.979 -10.347 1.388 1.00 0.00 H ATOM 400 HD11 LEU A 60 6.039 -8.708 2.915 1.00 0.00 H ATOM 401 HD12 LEU A 60 7.673 -8.001 2.874 1.00 0.00 H ATOM 402 HD13 LEU A 60 7.031 -8.846 1.443 1.00 0.00 H ATOM 403 H LEU A 60 6.218 -12.306 5.012 1.00 0.00 H ATOM 404 N SER A 61 7.891 -12.076 7.521 1.00 0.36 N ATOM 405 CA SER A 61 8.041 -12.003 8.972 1.00 0.41 C ATOM 406 C SER A 61 7.339 -10.770 9.540 1.00 0.40 C ATOM 407 O SER A 61 7.953 -9.720 9.735 1.00 0.50 O ATOM 408 CB SER A 61 9.524 -12.030 9.374 1.00 0.55 C ATOM 409 OG SER A 61 9.681 -11.906 10.777 1.00 1.11 O ATOM 410 HA SER A 61 7.561 -12.883 9.401 1.00 0.00 H ATOM 411 HB2 SER A 61 10.040 -11.204 8.885 1.00 0.00 H ATOM 412 HB3 SER A 61 9.963 -12.974 9.050 1.00 0.00 H ATOM 413 HG SER A 61 9.289 -11.048 11.077 1.00 0.00 H ATOM 414 H SER A 61 7.301 -12.833 7.120 1.00 0.00 H ATOM 415 N PRO A 62 6.027 -10.886 9.802 1.00 0.37 N ATOM 416 CA PRO A 62 5.242 -9.790 10.362 1.00 0.42 C ATOM 417 C PRO A 62 5.507 -9.591 11.851 1.00 0.47 C ATOM 418 O PRO A 62 5.131 -10.420 12.682 1.00 0.69 O ATOM 419 CB PRO A 62 3.798 -10.226 10.123 1.00 0.50 C ATOM 420 CG PRO A 62 3.840 -11.715 10.058 1.00 0.51 C ATOM 421 CD PRO A 62 5.215 -12.097 9.573 1.00 0.38 C ATOM 422 HA PRO A 62 5.489 -8.833 9.902 1.00 0.00 H ATOM 423 HD3 PRO A 62 5.607 -12.939 10.143 1.00 0.00 H ATOM 424 HD2 PRO A 62 5.194 -12.355 8.514 1.00 0.00 H ATOM 425 HG3 PRO A 62 3.083 -12.081 9.364 1.00 0.00 H ATOM 426 HG2 PRO A 62 3.660 -12.138 11.046 1.00 0.00 H ATOM 427 HB2 PRO A 62 3.159 -9.898 10.943 1.00 0.00 H ATOM 428 HB3 PRO A 62 3.425 -9.813 9.186 1.00 0.00 H ATOM 429 N VAL A 63 6.152 -8.486 12.192 1.00 0.39 N ATOM 430 CA VAL A 63 6.479 -8.206 13.573 1.00 0.48 C ATOM 431 C VAL A 63 5.333 -7.464 14.244 1.00 0.42 C ATOM 432 O VAL A 63 4.961 -6.364 13.839 1.00 0.41 O ATOM 433 CB VAL A 63 7.800 -7.412 13.713 1.00 0.60 C ATOM 434 CG1 VAL A 63 8.980 -8.296 13.343 1.00 1.43 C ATOM 435 CG2 VAL A 63 7.798 -6.152 12.855 1.00 1.14 C ATOM 436 HA VAL A 63 6.628 -9.162 14.074 1.00 0.00 H ATOM 437 HB VAL A 63 7.891 -7.101 14.754 1.00 0.00 H ATOM 438 HG11 VAL A 63 9.008 -9.160 14.008 1.00 0.00 H ATOM 439 HG12 VAL A 63 8.871 -8.633 12.312 1.00 0.00 H ATOM 440 HG13 VAL A 63 9.904 -7.727 13.445 1.00 0.00 H ATOM 441 HG21 VAL A 63 7.673 -6.427 11.808 1.00 0.00 H ATOM 442 HG22 VAL A 63 6.976 -5.506 13.163 1.00 0.00 H ATOM 443 HG23 VAL A 63 8.744 -5.625 12.983 1.00 0.00 H ATOM 444 H VAL A 63 6.428 -7.807 11.454 1.00 0.00 H ATOM 445 N ASN A 64 4.736 -8.110 15.243 1.00 0.47 N ATOM 446 CA ASN A 64 3.575 -7.564 15.952 1.00 0.50 C ATOM 447 C ASN A 64 2.400 -7.338 15.000 1.00 0.52 C ATOM 448 O ASN A 64 1.500 -6.547 15.280 1.00 0.68 O ATOM 449 CB ASN A 64 3.935 -6.258 16.675 1.00 0.57 C ATOM 450 CG ASN A 64 4.875 -6.483 17.844 1.00 1.25 C ATOM 451 OD1 ASN A 64 4.867 -7.547 18.464 1.00 2.15 O ATOM 452 ND2 ASN A 64 5.687 -5.491 18.158 1.00 1.72 N ATOM 453 HA ASN A 64 3.272 -8.299 16.698 1.00 0.00 H ATOM 454 HB2 ASN A 64 4.415 -5.585 15.964 1.00 0.00 H ATOM 455 HB3 ASN A 64 3.019 -5.799 17.046 1.00 0.00 H ATOM 456 HD22 ASN A 64 5.664 -4.607 17.610 1.00 0.00 H ATOM 457 HD21 ASN A 64 6.350 -5.593 18.953 1.00 0.00 H ATOM 458 H ASN A 64 5.107 -9.038 15.532 1.00 0.00 H ATOM 459 N GLY A 65 2.405 -8.063 13.889 1.00 0.46 N ATOM 460 CA GLY A 65 1.304 -7.997 12.945 1.00 0.55 C ATOM 461 C GLY A 65 1.426 -6.861 11.946 1.00 0.45 C ATOM 462 O GLY A 65 0.439 -6.475 11.320 1.00 0.62 O ATOM 463 HA3 GLY A 65 0.378 -7.866 13.504 1.00 0.00 H ATOM 464 HA2 GLY A 65 1.265 -8.937 12.395 1.00 0.00 H ATOM 465 H GLY A 65 3.211 -8.689 13.691 1.00 0.00 H ATOM 466 N LYS A 66 2.627 -6.320 11.783 1.00 0.32 N ATOM 467 CA LYS A 66 2.851 -5.263 10.805 1.00 0.35 C ATOM 468 C LYS A 66 4.307 -5.275 10.358 1.00 0.27 C ATOM 469 O LYS A 66 5.213 -5.214 11.185 1.00 0.42 O ATOM 470 CB LYS A 66 2.475 -3.904 11.417 1.00 0.58 C ATOM 471 CG LYS A 66 2.264 -2.796 10.399 1.00 0.74 C ATOM 472 CD LYS A 66 1.205 -1.804 10.870 1.00 0.90 C ATOM 473 CE LYS A 66 0.896 -0.774 9.800 1.00 1.52 C ATOM 474 NZ LYS A 66 -0.349 -0.008 10.089 1.00 2.24 N ATOM 475 HA LYS A 66 2.223 -5.433 9.931 1.00 0.00 H ATOM 476 HB2 LYS A 66 1.552 -4.028 11.983 1.00 0.00 H ATOM 477 HB3 LYS A 66 3.275 -3.600 12.092 1.00 0.00 H ATOM 478 HG2 LYS A 66 3.205 -2.267 10.250 1.00 0.00 H ATOM 479 HG3 LYS A 66 1.943 -3.237 9.455 1.00 0.00 H ATOM 480 HD2 LYS A 66 0.292 -2.348 11.113 1.00 0.00 H ATOM 481 HD3 LYS A 66 1.569 -1.292 11.761 1.00 0.00 H ATOM 482 HE2 LYS A 66 0.778 -1.286 8.845 1.00 0.00 H ATOM 483 HE3 LYS A 66 1.730 -0.075 9.736 1.00 0.00 H ATOM 484 HZ1 LYS A 66 -1.154 -0.665 10.144 1.00 0.00 H ATOM 485 HZ2 LYS A 66 -0.245 0.492 10.995 1.00 0.00 H ATOM 486 HZ3 LYS A 66 -0.515 0.682 9.328 1.00 0.00 H ATOM 487 H LYS A 66 3.422 -6.656 12.363 1.00 0.00 H ATOM 488 N ILE A 67 4.537 -5.365 9.054 1.00 0.24 N ATOM 489 CA ILE A 67 5.899 -5.432 8.544 1.00 0.24 C ATOM 490 C ILE A 67 6.483 -4.036 8.371 1.00 0.28 C ATOM 491 O ILE A 67 5.752 -3.053 8.203 1.00 0.31 O ATOM 492 CB ILE A 67 6.007 -6.207 7.207 1.00 0.24 C ATOM 493 CG1 ILE A 67 5.129 -5.561 6.133 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.637 -7.674 7.402 1.00 0.26 C ATOM 495 CD1 ILE A 67 5.272 -6.194 4.765 1.00 0.28 C ATOM 496 HA ILE A 67 6.473 -5.982 9.289 1.00 0.00 H ATOM 497 HB ILE A 67 7.042 -6.161 6.869 1.00 0.00 H ATOM 498 HG12 ILE A 67 4.088 -5.645 6.444 1.00 0.00 H ATOM 499 HG13 ILE A 67 5.400 -4.508 6.055 1.00 0.00 H ATOM 500 HD11 ILE A 67 6.307 -6.108 4.433 1.00 0.00 H ATOM 501 HD12 ILE A 67 4.993 -7.246 4.822 1.00 0.00 H ATOM 502 HD13 ILE A 67 4.619 -5.682 4.059 1.00 0.00 H ATOM 503 HG21 ILE A 67 6.315 -8.125 8.127 1.00 0.00 H ATOM 504 HG22 ILE A 67 4.613 -7.743 7.768 1.00 0.00 H ATOM 505 HG23 ILE A 67 5.720 -8.198 6.450 1.00 0.00 H ATOM 506 H ILE A 67 3.737 -5.388 8.390 1.00 0.00 H ATOM 507 N THR A 68 7.801 -3.965 8.411 1.00 0.33 N ATOM 508 CA THR A 68 8.503 -2.699 8.337 1.00 0.38 C ATOM 509 C THR A 68 8.759 -2.301 6.890 1.00 0.39 C ATOM 510 O THR A 68 8.464 -3.062 5.966 1.00 0.46 O ATOM 511 CB THR A 68 9.845 -2.766 9.087 1.00 0.44 C ATOM 512 OG1 THR A 68 10.669 -3.798 8.527 1.00 0.52 O ATOM 513 CG2 THR A 68 9.627 -3.035 10.568 1.00 0.42 C ATOM 514 HA THR A 68 7.867 -1.949 8.808 1.00 0.00 H ATOM 515 HB THR A 68 10.343 -1.803 8.979 1.00 0.00 H ATOM 516 HG1 THR A 68 10.206 -4.669 8.609 1.00 0.00 H ATOM 517 HG23 THR A 68 9.001 -2.249 10.990 1.00 0.00 H ATOM 518 HG21 THR A 68 9.135 -4.000 10.692 1.00 0.00 H ATOM 519 HG22 THR A 68 10.590 -3.048 11.079 1.00 0.00 H ATOM 520 H THR A 68 8.351 -4.843 8.498 1.00 0.00 H ATOM 521 N GLY A 69 9.329 -1.115 6.702 1.00 0.38 N ATOM 522 CA GLY A 69 9.637 -0.643 5.370 1.00 0.38 C ATOM 523 C GLY A 69 10.708 -1.475 4.694 1.00 0.36 C ATOM 524 O GLY A 69 10.738 -1.571 3.474 1.00 0.37 O ATOM 525 HA3 GLY A 69 9.984 0.388 5.436 1.00 0.00 H ATOM 526 HA2 GLY A 69 8.730 -0.682 4.766 1.00 0.00 H ATOM 527 H GLY A 69 9.556 -0.519 7.523 1.00 0.00 H ATOM 528 N ALA A 70 11.574 -2.094 5.486 1.00 0.36 N ATOM 529 CA ALA A 70 12.668 -2.897 4.950 1.00 0.37 C ATOM 530 C ALA A 70 12.146 -4.179 4.306 1.00 0.34 C ATOM 531 O ALA A 70 12.572 -4.558 3.208 1.00 0.33 O ATOM 532 CB ALA A 70 13.668 -3.219 6.049 1.00 0.40 C ATOM 533 HA ALA A 70 13.170 -2.317 4.176 1.00 0.00 H ATOM 534 HB1 ALA A 70 14.071 -2.291 6.455 1.00 0.00 H ATOM 535 HB2 ALA A 70 13.169 -3.777 6.841 1.00 0.00 H ATOM 536 HB3 ALA A 70 14.479 -3.818 5.636 1.00 0.00 H ATOM 537 H ALA A 70 11.470 -2.004 6.517 1.00 0.00 H ATOM 538 N ASN A 71 11.207 -4.821 4.988 1.00 0.40 N ATOM 539 CA ASN A 71 10.636 -6.088 4.536 1.00 0.47 C ATOM 540 C ASN A 71 9.961 -5.902 3.186 1.00 0.36 C ATOM 541 O ASN A 71 10.240 -6.616 2.216 1.00 0.33 O ATOM 542 CB ASN A 71 9.610 -6.590 5.563 1.00 0.64 C ATOM 543 CG ASN A 71 10.131 -6.546 6.992 1.00 0.80 C ATOM 544 OD1 ASN A 71 9.379 -6.278 7.931 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.418 -6.796 7.176 1.00 0.58 N ATOM 546 HA ASN A 71 11.435 -6.822 4.436 1.00 0.00 H ATOM 547 HB2 ASN A 71 8.719 -5.966 5.498 1.00 0.00 H ATOM 548 HB3 ASN A 71 9.349 -7.620 5.319 1.00 0.00 H ATOM 549 HD22 ASN A 71 12.026 -7.019 6.362 1.00 0.00 H ATOM 550 HD21 ASN A 71 11.821 -6.769 8.134 1.00 0.00 H ATOM 551 H ASN A 71 10.864 -4.407 5.878 1.00 0.00 H ATOM 552 N ALA A 72 9.090 -4.912 3.118 1.00 0.35 N ATOM 553 CA ALA A 72 8.356 -4.642 1.901 1.00 0.30 C ATOM 554 C ALA A 72 9.259 -4.003 0.848 1.00 0.29 C ATOM 555 O ALA A 72 8.998 -4.129 -0.339 1.00 0.30 O ATOM 556 CB ALA A 72 7.140 -3.774 2.191 1.00 0.36 C ATOM 557 HA ALA A 72 8.002 -5.590 1.496 1.00 0.00 H ATOM 558 HB1 ALA A 72 6.485 -4.291 2.892 1.00 0.00 H ATOM 559 HB2 ALA A 72 7.465 -2.829 2.625 1.00 0.00 H ATOM 560 HB3 ALA A 72 6.602 -3.583 1.263 1.00 0.00 H ATOM 561 H ALA A 72 8.929 -4.316 3.955 1.00 0.00 H ATOM 562 N LYS A 73 10.339 -3.345 1.274 1.00 0.28 N ATOM 563 CA LYS A 73 11.272 -2.754 0.321 1.00 0.31 C ATOM 564 C LYS A 73 11.932 -3.841 -0.514 1.00 0.31 C ATOM 565 O LYS A 73 11.987 -3.739 -1.740 1.00 0.34 O ATOM 566 CB LYS A 73 12.335 -1.890 1.017 1.00 0.35 C ATOM 567 CG LYS A 73 13.341 -1.281 0.049 1.00 0.39 C ATOM 568 CD LYS A 73 14.030 -0.040 0.613 1.00 0.53 C ATOM 569 CE LYS A 73 14.863 -0.333 1.855 1.00 0.61 C ATOM 570 NZ LYS A 73 15.658 0.856 2.283 1.00 0.54 N ATOM 571 HA LYS A 73 10.700 -2.098 -0.335 1.00 0.00 H ATOM 572 HB2 LYS A 73 11.832 -1.082 1.548 1.00 0.00 H ATOM 573 HB3 LYS A 73 12.874 -2.512 1.731 1.00 0.00 H ATOM 574 HG2 LYS A 73 14.101 -2.028 -0.179 1.00 0.00 H ATOM 575 HG3 LYS A 73 12.819 -1.004 -0.867 1.00 0.00 H ATOM 576 HD2 LYS A 73 14.684 0.373 -0.155 1.00 0.00 H ATOM 577 HD3 LYS A 73 13.267 0.694 0.872 1.00 0.00 H ATOM 578 HE2 LYS A 73 15.546 -1.154 1.637 1.00 0.00 H ATOM 579 HE3 LYS A 73 14.196 -0.623 2.667 1.00 0.00 H ATOM 580 HZ1 LYS A 73 16.302 1.135 1.516 1.00 0.00 H ATOM 581 HZ2 LYS A 73 15.013 1.643 2.500 1.00 0.00 H ATOM 582 HZ3 LYS A 73 16.210 0.615 3.131 1.00 0.00 H ATOM 583 H LYS A 73 10.517 -3.253 2.294 1.00 0.00 H ATOM 584 N LYS A 74 12.409 -4.903 0.132 1.00 0.32 N ATOM 585 CA LYS A 74 13.028 -5.986 -0.603 1.00 0.36 C ATOM 586 C LYS A 74 11.981 -6.774 -1.389 1.00 0.34 C ATOM 587 O LYS A 74 12.287 -7.363 -2.422 1.00 0.37 O ATOM 588 CB LYS A 74 13.813 -6.896 0.334 1.00 0.43 C ATOM 589 CG LYS A 74 13.080 -7.230 1.615 1.00 0.90 C ATOM 590 CD LYS A 74 13.816 -8.277 2.417 1.00 1.04 C ATOM 591 CE LYS A 74 15.207 -7.820 2.825 1.00 1.26 C ATOM 592 NZ LYS A 74 15.168 -6.630 3.715 1.00 2.24 N ATOM 593 HA LYS A 74 13.730 -5.557 -1.318 1.00 0.00 H ATOM 594 HB2 LYS A 74 14.030 -7.826 -0.191 1.00 0.00 H ATOM 595 HB3 LYS A 74 14.748 -6.400 0.592 1.00 0.00 H ATOM 596 HG2 LYS A 74 12.985 -6.325 2.215 1.00 0.00 H ATOM 597 HG3 LYS A 74 12.087 -7.606 1.368 1.00 0.00 H ATOM 598 HD2 LYS A 74 13.241 -8.498 3.317 1.00 0.00 H ATOM 599 HD3 LYS A 74 13.906 -9.181 1.814 1.00 0.00 H ATOM 600 HE2 LYS A 74 15.772 -7.569 1.927 1.00 0.00 H ATOM 601 HE3 LYS A 74 15.705 -8.635 3.350 1.00 0.00 H ATOM 602 HZ1 LYS A 74 14.701 -5.844 3.220 1.00 0.00 H ATOM 603 HZ2 LYS A 74 14.637 -6.862 4.579 1.00 0.00 H ATOM 604 HZ3 LYS A 74 16.139 -6.355 3.967 1.00 0.00 H ATOM 605 H LYS A 74 12.337 -4.955 1.168 1.00 0.00 H ATOM 606 N GLU A 75 10.742 -6.781 -0.910 1.00 0.32 N ATOM 607 CA GLU A 75 9.657 -7.414 -1.656 1.00 0.33 C ATOM 608 C GLU A 75 9.383 -6.629 -2.942 1.00 0.31 C ATOM 609 O GLU A 75 9.236 -7.204 -4.023 1.00 0.37 O ATOM 610 CB GLU A 75 8.389 -7.486 -0.800 1.00 0.36 C ATOM 611 CG GLU A 75 7.288 -8.341 -1.406 1.00 0.40 C ATOM 612 CD GLU A 75 7.748 -9.763 -1.663 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.192 -10.437 -0.712 1.00 0.76 O ATOM 614 OE2 GLU A 75 7.637 -10.226 -2.816 1.00 0.82 O ATOM 615 HA GLU A 75 9.955 -8.430 -1.916 1.00 0.00 H ATOM 616 HB2 GLU A 75 8.653 -7.903 0.172 1.00 0.00 H ATOM 617 HB3 GLU A 75 8.005 -6.474 -0.668 1.00 0.00 H ATOM 618 HG2 GLU A 75 6.442 -8.363 -0.720 1.00 0.00 H ATOM 619 HG3 GLU A 75 6.976 -7.896 -2.351 1.00 0.00 H ATOM 620 H GLU A 75 10.542 -6.331 0.006 1.00 0.00 H ATOM 621 N MET A 76 9.350 -5.311 -2.808 1.00 0.28 N ATOM 622 CA MET A 76 9.104 -4.418 -3.933 1.00 0.31 C ATOM 623 C MET A 76 10.181 -4.554 -5.007 1.00 0.33 C ATOM 624 O MET A 76 9.879 -4.525 -6.202 1.00 0.38 O ATOM 625 CB MET A 76 9.031 -2.969 -3.454 1.00 0.40 C ATOM 626 CG MET A 76 7.615 -2.420 -3.318 1.00 0.65 C ATOM 627 SD MET A 76 6.643 -3.264 -2.055 1.00 1.04 S ATOM 628 CE MET A 76 5.204 -2.202 -1.983 1.00 0.63 C ATOM 629 HA MET A 76 8.149 -4.703 -4.375 1.00 0.00 H ATOM 630 HB2 MET A 76 9.516 -2.907 -2.480 1.00 0.00 H ATOM 631 HB3 MET A 76 9.571 -2.346 -4.167 1.00 0.00 H ATOM 632 HG2 MET A 76 7.107 -2.529 -4.276 1.00 0.00 H ATOM 633 HG3 MET A 76 7.676 -1.363 -3.059 1.00 0.00 H ATOM 634 HE1 MET A 76 5.511 -1.195 -1.700 1.00 0.00 H ATOM 635 HE2 MET A 76 4.724 -2.176 -2.961 1.00 0.00 H ATOM 636 HE3 MET A 76 4.504 -2.591 -1.244 1.00 0.00 H ATOM 637 H MET A 76 9.505 -4.899 -1.866 1.00 0.00 H ATOM 638 N VAL A 77 11.436 -4.704 -4.594 1.00 0.35 N ATOM 639 CA VAL A 77 12.519 -4.861 -5.563 1.00 0.44 C ATOM 640 C VAL A 77 12.483 -6.253 -6.193 1.00 0.49 C ATOM 641 O VAL A 77 12.989 -6.452 -7.297 1.00 0.62 O ATOM 642 CB VAL A 77 13.917 -4.589 -4.958 1.00 0.52 C ATOM 643 CG1 VAL A 77 13.971 -3.204 -4.334 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.311 -5.653 -3.948 1.00 1.02 C ATOM 645 HA VAL A 77 12.352 -4.108 -6.333 1.00 0.00 H ATOM 646 HB VAL A 77 14.641 -4.631 -5.772 1.00 0.00 H ATOM 647 HG11 VAL A 77 13.765 -2.454 -5.098 1.00 0.00 H ATOM 648 HG12 VAL A 77 13.224 -3.134 -3.543 1.00 0.00 H ATOM 649 HG13 VAL A 77 14.963 -3.034 -3.915 1.00 0.00 H ATOM 650 HG21 VAL A 77 13.583 -5.669 -3.137 1.00 0.00 H ATOM 651 HG22 VAL A 77 14.333 -6.627 -4.438 1.00 0.00 H ATOM 652 HG23 VAL A 77 15.299 -5.424 -3.548 1.00 0.00 H ATOM 653 H VAL A 77 11.648 -4.710 -3.576 1.00 0.00 H ATOM 654 N LYS A 78 11.869 -7.213 -5.497 1.00 0.46 N ATOM 655 CA LYS A 78 11.670 -8.540 -6.067 1.00 0.58 C ATOM 656 C LYS A 78 10.584 -8.496 -7.129 1.00 0.53 C ATOM 657 O LYS A 78 10.540 -9.337 -8.024 1.00 0.62 O ATOM 658 CB LYS A 78 11.296 -9.582 -5.007 1.00 0.76 C ATOM 659 CG LYS A 78 12.378 -9.843 -3.975 1.00 0.97 C ATOM 660 CD LYS A 78 12.139 -11.154 -3.242 1.00 1.17 C ATOM 661 CE LYS A 78 10.805 -11.199 -2.517 1.00 2.01 C ATOM 662 NZ LYS A 78 10.818 -10.406 -1.265 1.00 3.04 N ATOM 663 HA LYS A 78 12.620 -8.840 -6.510 1.00 0.00 H ATOM 664 HB2 LYS A 78 10.404 -9.234 -4.486 1.00 0.00 H ATOM 665 HB3 LYS A 78 11.075 -10.521 -5.515 1.00 0.00 H ATOM 666 HG2 LYS A 78 13.344 -9.888 -4.477 1.00 0.00 H ATOM 667 HG3 LYS A 78 12.383 -9.028 -3.252 1.00 0.00 H ATOM 668 HD2 LYS A 78 12.167 -11.967 -3.967 1.00 0.00 H ATOM 669 HD3 LYS A 78 12.936 -11.293 -2.511 1.00 0.00 H ATOM 670 HE2 LYS A 78 10.573 -12.236 -2.273 1.00 0.00 H ATOM 671 HE3 LYS A 78 10.034 -10.801 -3.176 1.00 0.00 H ATOM 672 HZ1 LYS A 78 11.546 -10.783 -0.625 1.00 0.00 H ATOM 673 HZ2 LYS A 78 11.031 -9.413 -1.487 1.00 0.00 H ATOM 674 HZ3 LYS A 78 9.886 -10.468 -0.807 1.00 0.00 H ATOM 675 H LYS A 78 11.528 -7.011 -4.535 1.00 0.00 H ATOM 676 N SER A 79 9.708 -7.507 -7.017 1.00 0.47 N ATOM 677 CA SER A 79 8.641 -7.318 -7.991 1.00 0.49 C ATOM 678 C SER A 79 9.204 -6.868 -9.347 1.00 0.48 C ATOM 679 O SER A 79 8.513 -6.948 -10.367 1.00 0.57 O ATOM 680 CB SER A 79 7.625 -6.301 -7.470 1.00 0.48 C ATOM 681 OG SER A 79 7.124 -6.685 -6.199 1.00 0.86 O ATOM 682 HA SER A 79 8.139 -8.275 -8.137 1.00 0.00 H ATOM 683 HB2 SER A 79 6.796 -6.233 -8.174 1.00 0.00 H ATOM 684 HB3 SER A 79 8.108 -5.327 -7.384 1.00 0.00 H ATOM 685 HG SER A 79 7.873 -6.744 -5.554 1.00 0.00 H ATOM 686 H SER A 79 9.784 -6.850 -6.214 1.00 0.00 H ATOM 687 N LYS A 80 10.463 -6.406 -9.347 1.00 0.44 N ATOM 688 CA LYS A 80 11.160 -5.997 -10.573 1.00 0.47 C ATOM 689 C LYS A 80 10.553 -4.740 -11.198 1.00 0.46 C ATOM 690 O LYS A 80 10.610 -4.545 -12.412 1.00 0.58 O ATOM 691 CB LYS A 80 11.175 -7.154 -11.581 1.00 0.60 C ATOM 692 CG LYS A 80 12.447 -7.991 -11.533 1.00 0.64 C ATOM 693 CD LYS A 80 12.924 -8.247 -10.111 1.00 1.15 C ATOM 694 CE LYS A 80 14.184 -9.100 -10.091 1.00 1.42 C ATOM 695 NZ LYS A 80 15.254 -8.543 -10.965 1.00 2.05 N ATOM 696 HA LYS A 80 12.185 -5.747 -10.299 1.00 0.00 H ATOM 697 HB2 LYS A 80 10.326 -7.805 -11.371 1.00 0.00 H ATOM 698 HB3 LYS A 80 11.074 -6.739 -12.584 1.00 0.00 H ATOM 699 HG2 LYS A 80 12.253 -8.949 -12.015 1.00 0.00 H ATOM 700 HG3 LYS A 80 13.232 -7.465 -12.076 1.00 0.00 H ATOM 701 HD2 LYS A 80 13.135 -7.292 -9.630 1.00 0.00 H ATOM 702 HD3 LYS A 80 12.137 -8.763 -9.561 1.00 0.00 H ATOM 703 HE2 LYS A 80 13.935 -10.103 -10.437 1.00 0.00 H ATOM 704 HE3 LYS A 80 14.557 -9.152 -9.068 1.00 0.00 H ATOM 705 HZ1 LYS A 80 14.910 -8.497 -11.945 1.00 0.00 H ATOM 706 HZ2 LYS A 80 15.504 -7.588 -10.639 1.00 0.00 H ATOM 707 HZ3 LYS A 80 16.092 -9.157 -10.919 1.00 0.00 H ATOM 708 H LYS A 80 10.967 -6.334 -8.440 1.00 0.00 H ATOM 709 N LEU A 81 10.011 -3.870 -10.364 1.00 0.42 N ATOM 710 CA LEU A 81 9.475 -2.599 -10.844 1.00 0.43 C ATOM 711 C LEU A 81 10.503 -1.486 -10.647 1.00 0.43 C ATOM 712 O LEU A 81 11.361 -1.580 -9.766 1.00 0.44 O ATOM 713 CB LEU A 81 8.163 -2.232 -10.126 1.00 0.46 C ATOM 714 CG LEU A 81 6.876 -2.861 -10.681 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.765 -2.619 -12.177 1.00 1.34 C ATOM 716 CD2 LEU A 81 6.802 -4.344 -10.363 1.00 1.22 C ATOM 717 HA LEU A 81 9.259 -2.710 -11.907 1.00 0.00 H ATOM 718 HB2 LEU A 81 8.259 -2.539 -9.084 1.00 0.00 H ATOM 719 HB3 LEU A 81 8.050 -1.149 -10.176 1.00 0.00 H ATOM 720 HG LEU A 81 6.030 -2.379 -10.192 1.00 0.00 H ATOM 721 HD21 LEU A 81 7.657 -4.853 -10.809 1.00 0.00 H ATOM 722 HD22 LEU A 81 6.818 -4.484 -9.282 1.00 0.00 H ATOM 723 HD23 LEU A 81 5.879 -4.756 -10.771 1.00 0.00 H ATOM 724 HD11 LEU A 81 6.746 -1.546 -12.370 1.00 0.00 H ATOM 725 HD12 LEU A 81 7.623 -3.065 -12.681 1.00 0.00 H ATOM 726 HD13 LEU A 81 5.847 -3.073 -12.550 1.00 0.00 H ATOM 727 H LEU A 81 9.965 -4.094 -9.349 1.00 0.00 H ATOM 728 N PRO A 82 10.448 -0.431 -11.483 1.00 0.45 N ATOM 729 CA PRO A 82 11.307 0.748 -11.324 1.00 0.49 C ATOM 730 C PRO A 82 11.127 1.394 -9.953 1.00 0.44 C ATOM 731 O PRO A 82 10.010 1.462 -9.445 1.00 0.39 O ATOM 732 CB PRO A 82 10.824 1.702 -12.419 1.00 0.54 C ATOM 733 CG PRO A 82 10.145 0.835 -13.421 1.00 0.62 C ATOM 734 CD PRO A 82 9.567 -0.318 -12.657 1.00 0.48 C ATOM 735 HA PRO A 82 12.365 0.496 -11.401 1.00 0.00 H ATOM 736 HD3 PRO A 82 8.540 -0.110 -12.355 1.00 0.00 H ATOM 737 HD2 PRO A 82 9.592 -1.231 -13.252 1.00 0.00 H ATOM 738 HG3 PRO A 82 10.863 0.477 -14.159 1.00 0.00 H ATOM 739 HG2 PRO A 82 9.353 1.389 -13.925 1.00 0.00 H ATOM 740 HB2 PRO A 82 10.126 2.432 -12.010 1.00 0.00 H ATOM 741 HB3 PRO A 82 11.668 2.222 -12.873 1.00 0.00 H ATOM 742 N ASN A 83 12.219 1.895 -9.383 1.00 0.49 N ATOM 743 CA ASN A 83 12.219 2.421 -8.013 1.00 0.48 C ATOM 744 C ASN A 83 11.195 3.538 -7.845 1.00 0.41 C ATOM 745 O ASN A 83 10.574 3.672 -6.790 1.00 0.37 O ATOM 746 CB ASN A 83 13.613 2.937 -7.644 1.00 0.57 C ATOM 747 CG ASN A 83 14.652 1.832 -7.628 1.00 0.71 C ATOM 748 OD1 ASN A 83 15.241 1.500 -8.658 1.00 0.94 O ATOM 749 ND2 ASN A 83 14.896 1.270 -6.456 1.00 0.89 N ATOM 750 HA ASN A 83 11.945 1.605 -7.344 1.00 0.00 H ATOM 751 HB2 ASN A 83 13.913 3.689 -8.373 1.00 0.00 H ATOM 752 HB3 ASN A 83 13.568 3.390 -6.654 1.00 0.00 H ATOM 753 HD22 ASN A 83 14.375 1.581 -5.611 1.00 0.00 H ATOM 754 HD21 ASN A 83 15.609 0.517 -6.379 1.00 0.00 H ATOM 755 H ASN A 83 13.105 1.915 -9.928 1.00 0.00 H ATOM 756 N THR A 84 11.019 4.325 -8.898 1.00 0.44 N ATOM 757 CA THR A 84 10.039 5.403 -8.909 1.00 0.42 C ATOM 758 C THR A 84 8.627 4.863 -8.651 1.00 0.35 C ATOM 759 O THR A 84 7.836 5.463 -7.916 1.00 0.35 O ATOM 760 CB THR A 84 10.064 6.131 -10.268 1.00 0.48 C ATOM 761 OG1 THR A 84 11.421 6.389 -10.649 1.00 0.59 O ATOM 762 CG2 THR A 84 9.290 7.442 -10.208 1.00 0.46 C ATOM 763 HA THR A 84 10.300 6.101 -8.114 1.00 0.00 H ATOM 764 HB THR A 84 9.586 5.489 -11.008 1.00 0.00 H ATOM 765 HG1 THR A 84 11.434 6.856 -11.522 1.00 0.00 H ATOM 766 HG23 THR A 84 8.259 7.241 -9.918 1.00 0.00 H ATOM 767 HG21 THR A 84 9.753 8.102 -9.475 1.00 0.00 H ATOM 768 HG22 THR A 84 9.307 7.918 -11.189 1.00 0.00 H ATOM 769 H THR A 84 11.601 4.167 -9.745 1.00 0.00 H ATOM 770 N VAL A 85 8.339 3.699 -9.224 1.00 0.34 N ATOM 771 CA VAL A 85 7.022 3.105 -9.119 1.00 0.31 C ATOM 772 C VAL A 85 6.795 2.629 -7.696 1.00 0.27 C ATOM 773 O VAL A 85 5.715 2.793 -7.145 1.00 0.29 O ATOM 774 CB VAL A 85 6.854 1.922 -10.102 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.486 1.280 -9.964 1.00 0.36 C ATOM 776 CG2 VAL A 85 7.080 2.379 -11.536 1.00 0.40 C ATOM 777 HA VAL A 85 6.283 3.863 -9.380 1.00 0.00 H ATOM 778 HB VAL A 85 7.605 1.174 -9.850 1.00 0.00 H ATOM 779 HG11 VAL A 85 5.362 0.907 -8.947 1.00 0.00 H ATOM 780 HG12 VAL A 85 4.715 2.021 -10.177 1.00 0.00 H ATOM 781 HG13 VAL A 85 5.402 0.453 -10.669 1.00 0.00 H ATOM 782 HG21 VAL A 85 6.355 3.153 -11.788 1.00 0.00 H ATOM 783 HG22 VAL A 85 8.089 2.779 -11.634 1.00 0.00 H ATOM 784 HG23 VAL A 85 6.957 1.531 -12.210 1.00 0.00 H ATOM 785 H VAL A 85 9.078 3.202 -9.761 1.00 0.00 H ATOM 786 N LEU A 86 7.845 2.075 -7.106 1.00 0.25 N ATOM 787 CA LEU A 86 7.803 1.606 -5.727 1.00 0.24 C ATOM 788 C LEU A 86 7.419 2.742 -4.788 1.00 0.25 C ATOM 789 O LEU A 86 6.553 2.581 -3.926 1.00 0.27 O ATOM 790 CB LEU A 86 9.164 1.034 -5.311 1.00 0.26 C ATOM 791 CG LEU A 86 9.505 -0.377 -5.831 1.00 0.41 C ATOM 792 CD1 LEU A 86 9.293 -0.508 -7.325 1.00 1.25 C ATOM 793 CD2 LEU A 86 10.942 -0.734 -5.485 1.00 1.23 C ATOM 794 HA LEU A 86 7.051 0.819 -5.661 1.00 0.00 H ATOM 795 HB2 LEU A 86 9.934 1.715 -5.672 1.00 0.00 H ATOM 796 HB3 LEU A 86 9.191 1.001 -4.222 1.00 0.00 H ATOM 797 HG LEU A 86 8.823 -1.070 -5.339 1.00 0.00 H ATOM 798 HD21 LEU A 86 11.616 -0.012 -5.946 1.00 0.00 H ATOM 799 HD22 LEU A 86 11.070 -0.712 -4.403 1.00 0.00 H ATOM 800 HD23 LEU A 86 11.167 -1.733 -5.859 1.00 0.00 H ATOM 801 HD11 LEU A 86 8.249 -0.304 -7.562 1.00 0.00 H ATOM 802 HD12 LEU A 86 9.931 0.207 -7.845 1.00 0.00 H ATOM 803 HD13 LEU A 86 9.547 -1.520 -7.639 1.00 0.00 H ATOM 804 H LEU A 86 8.728 1.972 -7.645 1.00 0.00 H ATOM 805 N GLY A 87 8.065 3.892 -4.968 1.00 0.28 N ATOM 806 CA GLY A 87 7.767 5.052 -4.152 1.00 0.32 C ATOM 807 C GLY A 87 6.326 5.503 -4.293 1.00 0.31 C ATOM 808 O GLY A 87 5.685 5.864 -3.309 1.00 0.34 O ATOM 809 HA3 GLY A 87 8.421 5.870 -4.454 1.00 0.00 H ATOM 810 HA2 GLY A 87 7.956 4.804 -3.108 1.00 0.00 H ATOM 811 H GLY A 87 8.795 3.959 -5.706 1.00 0.00 H ATOM 812 N LYS A 88 5.807 5.460 -5.512 1.00 0.29 N ATOM 813 CA LYS A 88 4.432 5.879 -5.766 1.00 0.32 C ATOM 814 C LYS A 88 3.445 4.882 -5.159 1.00 0.31 C ATOM 815 O LYS A 88 2.483 5.274 -4.498 1.00 0.33 O ATOM 816 CB LYS A 88 4.194 6.031 -7.273 1.00 0.37 C ATOM 817 CG LYS A 88 5.096 7.075 -7.921 1.00 1.10 C ATOM 818 CD LYS A 88 5.007 7.037 -9.441 1.00 1.05 C ATOM 819 CE LYS A 88 3.697 7.618 -9.959 1.00 0.68 C ATOM 820 NZ LYS A 88 3.643 9.100 -9.823 1.00 1.16 N ATOM 821 HA LYS A 88 4.269 6.847 -5.292 1.00 0.00 H ATOM 822 HB2 LYS A 88 4.377 5.069 -7.752 1.00 0.00 H ATOM 823 HB3 LYS A 88 3.156 6.323 -7.432 1.00 0.00 H ATOM 824 HG2 LYS A 88 4.796 8.064 -7.575 1.00 0.00 H ATOM 825 HG3 LYS A 88 6.127 6.884 -7.623 1.00 0.00 H ATOM 826 HD2 LYS A 88 5.834 7.613 -9.855 1.00 0.00 H ATOM 827 HD3 LYS A 88 5.086 6.001 -9.771 1.00 0.00 H ATOM 828 HE2 LYS A 88 2.873 7.184 -9.394 1.00 0.00 H ATOM 829 HE3 LYS A 88 3.590 7.358 -11.012 1.00 0.00 H ATOM 830 HZ1 LYS A 88 3.736 9.358 -8.820 1.00 0.00 H ATOM 831 HZ2 LYS A 88 4.422 9.525 -10.366 1.00 0.00 H ATOM 832 HZ3 LYS A 88 2.734 9.448 -10.189 1.00 0.00 H ATOM 833 H LYS A 88 6.391 5.121 -6.303 1.00 0.00 H ATOM 834 N ILE A 89 3.706 3.596 -5.370 1.00 0.28 N ATOM 835 CA ILE A 89 2.872 2.536 -4.820 1.00 0.30 C ATOM 836 C ILE A 89 2.783 2.667 -3.307 1.00 0.28 C ATOM 837 O ILE A 89 1.701 2.616 -2.734 1.00 0.30 O ATOM 838 CB ILE A 89 3.432 1.134 -5.161 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.460 0.907 -6.674 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.618 0.048 -4.475 1.00 0.34 C ATOM 841 CD1 ILE A 89 2.108 1.024 -7.337 1.00 0.89 C ATOM 842 HA ILE A 89 1.884 2.640 -5.268 1.00 0.00 H ATOM 843 HB ILE A 89 4.456 1.083 -4.791 1.00 0.00 H ATOM 844 HG12 ILE A 89 4.126 1.646 -7.120 1.00 0.00 H ATOM 845 HG13 ILE A 89 3.850 -0.093 -6.864 1.00 0.00 H ATOM 846 HD11 ILE A 89 1.431 0.283 -6.912 1.00 0.00 H ATOM 847 HD12 ILE A 89 1.707 2.023 -7.168 1.00 0.00 H ATOM 848 HD13 ILE A 89 2.214 0.850 -8.408 1.00 0.00 H ATOM 849 HG21 ILE A 89 2.660 0.192 -3.395 1.00 0.00 H ATOM 850 HG22 ILE A 89 1.582 0.105 -4.810 1.00 0.00 H ATOM 851 HG23 ILE A 89 3.030 -0.929 -4.729 1.00 0.00 H ATOM 852 H ILE A 89 4.532 3.338 -5.946 1.00 0.00 H ATOM 853 N TRP A 90 3.932 2.863 -2.675 1.00 0.25 N ATOM 854 CA TRP A 90 3.999 2.955 -1.225 1.00 0.25 C ATOM 855 C TRP A 90 3.240 4.177 -0.722 1.00 0.28 C ATOM 856 O TRP A 90 2.444 4.086 0.210 1.00 0.33 O ATOM 857 CB TRP A 90 5.458 3.026 -0.766 1.00 0.22 C ATOM 858 CG TRP A 90 5.618 2.986 0.729 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.418 4.012 1.605 1.00 0.25 C ATOM 860 CD2 TRP A 90 6.030 1.862 1.513 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.668 3.590 2.887 1.00 0.27 N ATOM 862 CE2 TRP A 90 6.046 2.275 2.858 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.382 0.547 1.210 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.400 1.421 3.895 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.736 -0.300 2.240 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.742 0.139 3.570 1.00 0.35 C ATOM 867 HA TRP A 90 3.534 2.062 -0.807 1.00 0.00 H ATOM 868 HB2 TRP A 90 5.996 2.180 -1.194 1.00 0.00 H ATOM 869 HB3 TRP A 90 5.892 3.955 -1.135 1.00 0.00 H ATOM 870 HE1 TRP A 90 5.584 4.175 3.743 1.00 0.00 H ATOM 871 HD1 TRP A 90 5.106 5.019 1.328 1.00 0.00 H ATOM 872 HZ2 TRP A 90 6.405 1.762 4.930 1.00 0.00 H ATOM 873 HH2 TRP A 90 7.025 -0.556 4.361 1.00 0.00 H ATOM 874 HZ3 TRP A 90 7.016 -1.329 2.015 1.00 0.00 H ATOM 875 HE3 TRP A 90 6.378 0.195 0.178 1.00 0.00 H ATOM 876 H TRP A 90 4.807 2.953 -3.230 1.00 0.00 H ATOM 877 N LYS A 91 3.477 5.314 -1.365 1.00 0.30 N ATOM 878 CA LYS A 91 2.927 6.581 -0.909 1.00 0.37 C ATOM 879 C LYS A 91 1.399 6.604 -1.033 1.00 0.37 C ATOM 880 O LYS A 91 0.721 7.350 -0.326 1.00 0.43 O ATOM 881 CB LYS A 91 3.569 7.728 -1.693 1.00 0.45 C ATOM 882 CG LYS A 91 3.343 9.096 -1.072 1.00 0.62 C ATOM 883 CD LYS A 91 4.586 9.970 -1.166 1.00 1.19 C ATOM 884 CE LYS A 91 5.008 10.216 -2.606 1.00 1.38 C ATOM 885 NZ LYS A 91 6.240 11.050 -2.689 1.00 1.16 N ATOM 886 HA LYS A 91 3.159 6.705 0.149 1.00 0.00 H ATOM 887 HB2 LYS A 91 4.643 7.548 -1.748 1.00 0.00 H ATOM 888 HB3 LYS A 91 3.150 7.734 -2.699 1.00 0.00 H ATOM 889 HG2 LYS A 91 2.523 9.590 -1.594 1.00 0.00 H ATOM 890 HG3 LYS A 91 3.079 8.968 -0.022 1.00 0.00 H ATOM 891 HD2 LYS A 91 4.378 10.929 -0.692 1.00 0.00 H ATOM 892 HD3 LYS A 91 5.403 9.476 -0.640 1.00 0.00 H ATOM 893 HE2 LYS A 91 4.200 10.728 -3.128 1.00 0.00 H ATOM 894 HE3 LYS A 91 5.199 9.256 -3.087 1.00 0.00 H ATOM 895 HZ1 LYS A 91 6.065 11.971 -2.238 1.00 0.00 H ATOM 896 HZ2 LYS A 91 7.019 10.565 -2.199 1.00 0.00 H ATOM 897 HZ3 LYS A 91 6.493 11.194 -3.687 1.00 0.00 H ATOM 898 H LYS A 91 4.072 5.298 -2.218 1.00 0.00 H ATOM 899 N LEU A 92 0.868 5.782 -1.931 1.00 0.34 N ATOM 900 CA LEU A 92 -0.579 5.604 -2.058 1.00 0.37 C ATOM 901 C LEU A 92 -1.082 4.523 -1.095 1.00 0.35 C ATOM 902 O LEU A 92 -2.056 4.733 -0.375 1.00 0.37 O ATOM 903 CB LEU A 92 -0.957 5.240 -3.501 1.00 0.43 C ATOM 904 CG LEU A 92 -1.205 6.426 -4.449 1.00 0.59 C ATOM 905 CD1 LEU A 92 -2.337 7.306 -3.934 1.00 1.53 C ATOM 906 CD2 LEU A 92 0.060 7.249 -4.646 1.00 1.21 C ATOM 907 HA LEU A 92 -1.056 6.549 -1.799 1.00 0.00 H ATOM 908 HB2 LEU A 92 -0.147 4.642 -3.918 1.00 0.00 H ATOM 909 HB3 LEU A 92 -1.868 4.642 -3.468 1.00 0.00 H ATOM 910 HG LEU A 92 -1.498 6.018 -5.417 1.00 0.00 H ATOM 911 HD21 LEU A 92 0.393 7.637 -3.683 1.00 0.00 H ATOM 912 HD22 LEU A 92 0.839 6.618 -5.074 1.00 0.00 H ATOM 913 HD23 LEU A 92 -0.149 8.079 -5.321 1.00 0.00 H ATOM 914 HD11 LEU A 92 -3.251 6.716 -3.863 1.00 0.00 H ATOM 915 HD12 LEU A 92 -2.076 7.693 -2.949 1.00 0.00 H ATOM 916 HD13 LEU A 92 -2.492 8.137 -4.622 1.00 0.00 H ATOM 917 H LEU A 92 1.499 5.249 -2.563 1.00 0.00 H ATOM 918 N ALA A 93 -0.395 3.382 -1.072 1.00 0.35 N ATOM 919 CA ALA A 93 -0.835 2.219 -0.303 1.00 0.39 C ATOM 920 C ALA A 93 -0.774 2.445 1.205 1.00 0.35 C ATOM 921 O ALA A 93 -1.645 1.977 1.940 1.00 0.40 O ATOM 922 CB ALA A 93 -0.010 1.000 -0.677 1.00 0.43 C ATOM 923 HA ALA A 93 -1.881 2.052 -0.559 1.00 0.00 H ATOM 924 HB1 ALA A 93 -0.132 0.792 -1.740 1.00 0.00 H ATOM 925 HB2 ALA A 93 1.041 1.194 -0.462 1.00 0.00 H ATOM 926 HB3 ALA A 93 -0.349 0.142 -0.097 1.00 0.00 H ATOM 927 H ALA A 93 0.486 3.316 -1.621 1.00 0.00 H ATOM 928 N ASP A 94 0.251 3.141 1.673 1.00 0.30 N ATOM 929 CA ASP A 94 0.381 3.399 3.100 1.00 0.32 C ATOM 930 C ASP A 94 -0.586 4.498 3.513 1.00 0.35 C ATOM 931 O ASP A 94 -0.242 5.681 3.526 1.00 0.46 O ATOM 932 CB ASP A 94 1.817 3.779 3.483 1.00 0.35 C ATOM 933 CG ASP A 94 2.018 3.821 4.988 1.00 0.42 C ATOM 934 OD1 ASP A 94 1.734 2.805 5.657 1.00 0.59 O ATOM 935 OD2 ASP A 94 2.458 4.857 5.511 1.00 0.56 O ATOM 936 HA ASP A 94 0.136 2.480 3.632 1.00 0.00 H ATOM 937 HB2 ASP A 94 2.500 3.044 3.058 1.00 0.00 H ATOM 938 HB3 ASP A 94 2.042 4.763 3.071 1.00 0.00 H ATOM 939 H ASP A 94 0.969 3.506 1.016 1.00 0.00 H ATOM 940 N VAL A 95 -1.812 4.098 3.820 1.00 0.42 N ATOM 941 CA VAL A 95 -2.860 5.045 4.149 1.00 0.51 C ATOM 942 C VAL A 95 -2.682 5.578 5.565 1.00 0.59 C ATOM 943 O VAL A 95 -3.116 6.684 5.875 1.00 0.74 O ATOM 944 CB VAL A 95 -4.267 4.419 3.993 1.00 0.60 C ATOM 945 CG1 VAL A 95 -5.341 5.491 4.089 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.383 3.677 2.669 1.00 1.49 C ATOM 947 HA VAL A 95 -2.779 5.873 3.445 1.00 0.00 H ATOM 948 HB VAL A 95 -4.412 3.705 4.804 1.00 0.00 H ATOM 949 HG11 VAL A 95 -5.277 5.982 5.060 1.00 0.00 H ATOM 950 HG12 VAL A 95 -5.190 6.226 3.298 1.00 0.00 H ATOM 951 HG13 VAL A 95 -6.323 5.031 3.977 1.00 0.00 H ATOM 952 HG21 VAL A 95 -4.214 4.373 1.848 1.00 0.00 H ATOM 953 HG22 VAL A 95 -3.638 2.883 2.633 1.00 0.00 H ATOM 954 HG23 VAL A 95 -5.380 3.246 2.582 1.00 0.00 H ATOM 955 H VAL A 95 -2.028 3.081 3.825 1.00 0.00 H ATOM 956 N ASP A 96 -2.017 4.808 6.420 1.00 0.59 N ATOM 957 CA ASP A 96 -1.779 5.253 7.794 1.00 0.69 C ATOM 958 C ASP A 96 -0.771 6.390 7.828 1.00 0.53 C ATOM 959 O ASP A 96 -0.772 7.196 8.758 1.00 0.57 O ATOM 960 CB ASP A 96 -1.226 4.126 8.668 1.00 0.88 C ATOM 961 CG ASP A 96 -2.201 3.011 8.950 1.00 0.93 C ATOM 962 OD1 ASP A 96 -3.341 3.298 9.353 1.00 1.45 O ATOM 963 OD2 ASP A 96 -1.811 1.835 8.781 1.00 1.02 O ATOM 964 HA ASP A 96 -2.744 5.581 8.180 1.00 0.00 H ATOM 965 HB2 ASP A 96 -0.359 3.700 8.164 1.00 0.00 H ATOM 966 HB3 ASP A 96 -0.916 4.556 9.621 1.00 0.00 H ATOM 967 H ASP A 96 -1.662 3.881 6.110 1.00 0.00 H ATOM 968 N LYS A 97 0.082 6.453 6.797 1.00 0.43 N ATOM 969 CA LYS A 97 1.234 7.356 6.800 1.00 0.47 C ATOM 970 C LYS A 97 2.087 7.068 8.030 1.00 0.49 C ATOM 971 O LYS A 97 2.688 7.964 8.628 1.00 0.66 O ATOM 972 CB LYS A 97 0.785 8.823 6.759 1.00 0.63 C ATOM 973 CG LYS A 97 0.140 9.210 5.437 1.00 0.67 C ATOM 974 CD LYS A 97 1.086 8.962 4.270 1.00 1.18 C ATOM 975 CE LYS A 97 0.395 9.154 2.929 1.00 1.77 C ATOM 976 NZ LYS A 97 -0.769 8.245 2.768 1.00 2.67 N ATOM 977 HA LYS A 97 1.832 7.183 5.905 1.00 0.00 H ATOM 978 HB2 LYS A 97 0.064 8.988 7.559 1.00 0.00 H ATOM 979 HB3 LYS A 97 1.656 9.458 6.920 1.00 0.00 H ATOM 980 HG2 LYS A 97 -0.764 8.617 5.295 1.00 0.00 H ATOM 981 HG3 LYS A 97 -0.121 10.268 5.465 1.00 0.00 H ATOM 982 HD2 LYS A 97 1.922 9.659 4.339 1.00 0.00 H ATOM 983 HD3 LYS A 97 1.461 7.940 4.331 1.00 0.00 H ATOM 984 HE2 LYS A 97 1.111 8.954 2.132 1.00 0.00 H ATOM 985 HE3 LYS A 97 0.050 10.185 2.855 1.00 0.00 H ATOM 986 HZ1 LYS A 97 -0.448 7.258 2.830 1.00 0.00 H ATOM 987 HZ2 LYS A 97 -1.461 8.434 3.521 1.00 0.00 H ATOM 988 HZ3 LYS A 97 -1.210 8.409 1.841 1.00 0.00 H ATOM 989 H LYS A 97 -0.079 5.843 5.970 1.00 0.00 H ATOM 990 N ASP A 98 2.140 5.788 8.375 1.00 0.46 N ATOM 991 CA ASP A 98 2.787 5.336 9.593 1.00 0.51 C ATOM 992 C ASP A 98 4.183 4.807 9.296 1.00 0.43 C ATOM 993 O ASP A 98 5.018 4.702 10.192 1.00 0.49 O ATOM 994 CB ASP A 98 1.935 4.254 10.276 1.00 0.65 C ATOM 995 CG ASP A 98 1.905 2.930 9.520 1.00 0.56 C ATOM 996 OD1 ASP A 98 1.479 2.898 8.335 1.00 0.70 O ATOM 997 OD2 ASP A 98 2.282 1.905 10.106 1.00 1.13 O ATOM 998 HA ASP A 98 2.882 6.185 10.270 1.00 0.00 H ATOM 999 HB2 ASP A 98 2.341 4.073 11.271 1.00 0.00 H ATOM 1000 HB3 ASP A 98 0.913 4.624 10.363 1.00 0.00 H ATOM 1001 H ASP A 98 1.702 5.082 7.749 1.00 0.00 H ATOM 1002 N GLY A 99 4.435 4.479 8.034 1.00 0.40 N ATOM 1003 CA GLY A 99 5.746 3.985 7.645 1.00 0.43 C ATOM 1004 C GLY A 99 5.838 2.470 7.682 1.00 0.35 C ATOM 1005 O GLY A 99 6.846 1.891 7.275 1.00 0.40 O ATOM 1006 HA3 GLY A 99 6.490 4.396 8.327 1.00 0.00 H ATOM 1007 HA2 GLY A 99 5.959 4.323 6.631 1.00 0.00 H ATOM 1008 H GLY A 99 3.688 4.576 7.317 1.00 0.00 H ATOM 1009 N LEU A 100 4.789 1.834 8.187 1.00 0.33 N ATOM 1010 CA LEU A 100 4.711 0.382 8.228 1.00 0.30 C ATOM 1011 C LEU A 100 3.538 -0.085 7.387 1.00 0.31 C ATOM 1012 O LEU A 100 2.618 0.696 7.113 1.00 0.40 O ATOM 1013 CB LEU A 100 4.524 -0.122 9.659 1.00 0.30 C ATOM 1014 CG LEU A 100 5.561 0.344 10.678 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.187 -0.165 12.061 1.00 0.45 C ATOM 1016 CD2 LEU A 100 6.956 -0.132 10.291 1.00 0.39 C ATOM 1017 HA LEU A 100 5.646 -0.018 7.835 1.00 0.00 H ATOM 1018 HB2 LEU A 100 3.545 0.211 10.004 1.00 0.00 H ATOM 1019 HB3 LEU A 100 4.548 -1.211 9.634 1.00 0.00 H ATOM 1020 HG LEU A 100 5.572 1.434 10.691 1.00 0.00 H ATOM 1021 HD21 LEU A 100 6.969 -1.221 10.250 1.00 0.00 H ATOM 1022 HD22 LEU A 100 7.218 0.272 9.313 1.00 0.00 H ATOM 1023 HD23 LEU A 100 7.675 0.214 11.033 1.00 0.00 H ATOM 1024 HD11 LEU A 100 4.208 0.225 12.338 1.00 0.00 H ATOM 1025 HD12 LEU A 100 5.156 -1.254 12.050 1.00 0.00 H ATOM 1026 HD13 LEU A 100 5.931 0.171 12.784 1.00 0.00 H ATOM 1027 H LEU A 100 3.997 2.391 8.566 1.00 0.00 H ATOM 1028 N LEU A 101 3.559 -1.347 6.987 1.00 0.30 N ATOM 1029 CA LEU A 101 2.462 -1.921 6.224 1.00 0.33 C ATOM 1030 C LEU A 101 1.880 -3.119 6.956 1.00 0.29 C ATOM 1031 O LEU A 101 2.555 -4.127 7.157 1.00 0.27 O ATOM 1032 CB LEU A 101 2.916 -2.346 4.821 1.00 0.43 C ATOM 1033 CG LEU A 101 3.391 -1.218 3.896 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.705 -1.770 2.512 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.341 -0.121 3.804 1.00 0.43 C ATOM 1036 HA LEU A 101 1.697 -1.152 6.118 1.00 0.00 H ATOM 1037 HB2 LEU A 101 3.739 -3.052 4.936 1.00 0.00 H ATOM 1038 HB3 LEU A 101 2.077 -2.844 4.336 1.00 0.00 H ATOM 1039 HG LEU A 101 4.300 -0.787 4.316 1.00 0.00 H ATOM 1040 HD21 LEU A 101 1.416 -0.538 3.406 1.00 0.00 H ATOM 1041 HD22 LEU A 101 2.159 0.290 4.797 1.00 0.00 H ATOM 1042 HD23 LEU A 101 2.699 0.668 3.143 1.00 0.00 H ATOM 1043 HD11 LEU A 101 4.490 -2.522 2.592 1.00 0.00 H ATOM 1044 HD12 LEU A 101 2.808 -2.224 2.091 1.00 0.00 H ATOM 1045 HD13 LEU A 101 4.041 -0.959 1.866 1.00 0.00 H ATOM 1046 H LEU A 101 4.379 -1.941 7.224 1.00 0.00 H ATOM 1047 N ASP A 102 0.640 -2.989 7.394 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.084 -4.122 7.953 1.00 0.35 C ATOM 1049 C ASP A 102 -0.706 -4.910 6.811 1.00 0.31 C ATOM 1050 O ASP A 102 -0.492 -4.576 5.650 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.148 -3.679 8.963 1.00 0.49 C ATOM 1052 CG ASP A 102 -2.211 -2.804 8.350 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -3.120 -3.348 7.686 1.00 1.01 O ATOM 1054 OD2 ASP A 102 -2.142 -1.578 8.538 1.00 1.42 O ATOM 1055 HA ASP A 102 0.614 -4.754 8.501 1.00 0.00 H ATOM 1056 HB2 ASP A 102 -1.625 -4.567 9.378 1.00 0.00 H ATOM 1057 HB3 ASP A 102 -0.659 -3.123 9.763 1.00 0.00 H ATOM 1058 H ASP A 102 0.173 -2.061 7.338 1.00 0.00 H ATOM 1059 N ASP A 103 -1.472 -5.941 7.123 1.00 0.36 N ATOM 1060 CA ASP A 103 -1.932 -6.867 6.096 1.00 0.37 C ATOM 1061 C ASP A 103 -2.846 -6.197 5.065 1.00 0.34 C ATOM 1062 O ASP A 103 -2.872 -6.621 3.908 1.00 0.36 O ATOM 1063 CB ASP A 103 -2.618 -8.090 6.716 1.00 0.49 C ATOM 1064 CG ASP A 103 -3.854 -7.745 7.518 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -3.715 -7.141 8.601 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -4.966 -8.102 7.076 1.00 0.92 O ATOM 1067 HA ASP A 103 -1.042 -7.203 5.563 1.00 0.00 H ATOM 1068 HB2 ASP A 103 -2.905 -8.769 5.913 1.00 0.00 H ATOM 1069 HB3 ASP A 103 -1.907 -8.588 7.375 1.00 0.00 H ATOM 1070 H ASP A 103 -1.750 -6.093 8.114 1.00 0.00 H ATOM 1071 N GLU A 104 -3.571 -5.142 5.447 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.462 -4.485 4.489 1.00 0.37 C ATOM 1073 C GLU A 104 -3.699 -3.447 3.665 1.00 0.29 C ATOM 1074 O GLU A 104 -3.916 -3.332 2.458 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.703 -3.864 5.163 1.00 0.50 C ATOM 1076 CG GLU A 104 -5.419 -2.709 6.106 1.00 0.89 C ATOM 1077 CD GLU A 104 -6.670 -2.180 6.780 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -7.418 -2.992 7.366 1.00 1.53 O ATOM 1079 OE2 GLU A 104 -6.908 -0.956 6.733 1.00 1.50 O ATOM 1080 HA GLU A 104 -4.832 -5.257 3.815 1.00 0.00 H ATOM 1081 HB2 GLU A 104 -6.368 -3.503 4.378 1.00 0.00 H ATOM 1082 HB3 GLU A 104 -6.205 -4.647 5.731 1.00 0.00 H ATOM 1083 HG2 GLU A 104 -4.726 -3.049 6.875 1.00 0.00 H ATOM 1084 HG3 GLU A 104 -4.960 -1.900 5.538 1.00 0.00 H ATOM 1085 H GLU A 104 -3.503 -4.788 6.423 1.00 0.00 H ATOM 1086 N GLU A 105 -2.784 -2.718 4.309 1.00 0.27 N ATOM 1087 CA GLU A 105 -1.930 -1.770 3.597 1.00 0.26 C ATOM 1088 C GLU A 105 -1.037 -2.506 2.604 1.00 0.22 C ATOM 1089 O GLU A 105 -0.896 -2.104 1.449 1.00 0.22 O ATOM 1090 CB GLU A 105 -1.035 -0.989 4.559 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.758 -0.031 5.484 1.00 0.75 C ATOM 1092 CD GLU A 105 -0.780 0.875 6.206 1.00 0.69 C ATOM 1093 OE1 GLU A 105 0.033 0.395 7.010 1.00 0.76 O ATOM 1094 OE2 GLU A 105 -0.824 2.104 6.019 1.00 0.82 O ATOM 1095 HA GLU A 105 -2.588 -1.075 3.075 1.00 0.00 H ATOM 1096 HB2 GLU A 105 -0.494 -1.708 5.174 1.00 0.00 H ATOM 1097 HB3 GLU A 105 -0.325 -0.413 3.966 1.00 0.00 H ATOM 1098 HG2 GLU A 105 -2.444 0.581 4.898 1.00 0.00 H ATOM 1099 HG3 GLU A 105 -2.322 -0.604 6.220 1.00 0.00 H ATOM 1100 H GLU A 105 -2.677 -2.827 5.338 1.00 0.00 H ATOM 1101 N PHE A 106 -0.443 -3.593 3.077 1.00 0.24 N ATOM 1102 CA PHE A 106 0.466 -4.402 2.279 1.00 0.26 C ATOM 1103 C PHE A 106 -0.268 -5.036 1.107 1.00 0.29 C ATOM 1104 O PHE A 106 0.258 -5.102 -0.004 1.00 0.31 O ATOM 1105 CB PHE A 106 1.107 -5.474 3.164 1.00 0.28 C ATOM 1106 CG PHE A 106 1.984 -6.455 2.439 1.00 0.26 C ATOM 1107 CD1 PHE A 106 3.174 -6.053 1.846 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.624 -7.787 2.365 1.00 0.35 C ATOM 1109 CE1 PHE A 106 3.984 -6.970 1.198 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.425 -8.702 1.717 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.605 -8.296 1.132 1.00 0.28 C ATOM 1112 HA PHE A 106 1.250 -3.763 1.873 1.00 0.00 H ATOM 1113 HB2 PHE A 106 1.713 -4.972 3.919 1.00 0.00 H ATOM 1114 HB3 PHE A 106 0.308 -6.031 3.653 1.00 0.00 H ATOM 1115 HD2 PHE A 106 0.693 -8.119 2.826 1.00 0.00 H ATOM 1116 HE2 PHE A 106 2.125 -9.749 1.667 1.00 0.00 H ATOM 1117 HZ PHE A 106 4.238 -9.020 0.618 1.00 0.00 H ATOM 1118 HE1 PHE A 106 4.919 -6.646 0.741 1.00 0.00 H ATOM 1119 HD1 PHE A 106 3.473 -5.006 1.891 1.00 0.00 H ATOM 1120 H PHE A 106 -0.635 -3.879 4.058 1.00 0.00 H ATOM 1121 N ALA A 107 -1.492 -5.478 1.355 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.303 -6.064 0.301 1.00 0.41 C ATOM 1123 C ALA A 107 -2.637 -5.028 -0.760 1.00 0.38 C ATOM 1124 O ALA A 107 -2.714 -5.348 -1.944 1.00 0.40 O ATOM 1125 CB ALA A 107 -3.566 -6.676 0.873 1.00 0.50 C ATOM 1126 HA ALA A 107 -1.725 -6.859 -0.171 1.00 0.00 H ATOM 1127 HB1 ALA A 107 -3.299 -7.455 1.587 1.00 0.00 H ATOM 1128 HB2 ALA A 107 -4.147 -5.903 1.376 1.00 0.00 H ATOM 1129 HB3 ALA A 107 -4.157 -7.108 0.065 1.00 0.00 H ATOM 1130 H ALA A 107 -1.878 -5.405 2.318 1.00 0.00 H ATOM 1131 N LEU A 108 -2.829 -3.783 -0.337 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.053 -2.691 -1.273 1.00 0.34 C ATOM 1133 C LEU A 108 -1.785 -2.398 -2.062 1.00 0.27 C ATOM 1134 O LEU A 108 -1.842 -2.165 -3.269 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.537 -1.440 -0.540 1.00 0.40 C ATOM 1136 CG LEU A 108 -5.053 -1.273 -0.513 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.460 -0.271 0.544 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.556 -0.830 -1.880 1.00 1.32 C ATOM 1139 HA LEU A 108 -3.831 -2.994 -1.974 1.00 0.00 H ATOM 1140 HB2 LEU A 108 -3.181 -1.488 0.489 1.00 0.00 H ATOM 1141 HB3 LEU A 108 -3.106 -0.568 -1.032 1.00 0.00 H ATOM 1142 HG LEU A 108 -5.502 -2.235 -0.266 1.00 0.00 H ATOM 1143 HD21 LEU A 108 -5.096 0.122 -2.144 1.00 0.00 H ATOM 1144 HD22 LEU A 108 -5.292 -1.582 -2.624 1.00 0.00 H ATOM 1145 HD23 LEU A 108 -6.639 -0.714 -1.847 1.00 0.00 H ATOM 1146 HD11 LEU A 108 -5.125 -0.619 1.521 1.00 0.00 H ATOM 1147 HD12 LEU A 108 -5.002 0.693 0.324 1.00 0.00 H ATOM 1148 HD13 LEU A 108 -6.545 -0.167 0.546 1.00 0.00 H ATOM 1149 H LEU A 108 -2.819 -3.585 0.684 1.00 0.00 H ATOM 1150 N ALA A 109 -0.648 -2.419 -1.372 1.00 0.23 N ATOM 1151 CA ALA A 109 0.649 -2.279 -2.019 1.00 0.24 C ATOM 1152 C ALA A 109 0.804 -3.308 -3.133 1.00 0.26 C ATOM 1153 O ALA A 109 1.101 -2.961 -4.276 1.00 0.26 O ATOM 1154 CB ALA A 109 1.769 -2.429 -0.997 1.00 0.26 C ATOM 1155 HA ALA A 109 0.711 -1.284 -2.459 1.00 0.00 H ATOM 1156 HB1 ALA A 109 1.667 -1.659 -0.233 1.00 0.00 H ATOM 1157 HB2 ALA A 109 1.707 -3.413 -0.533 1.00 0.00 H ATOM 1158 HB3 ALA A 109 2.732 -2.322 -1.497 1.00 0.00 H ATOM 1159 H ALA A 109 -0.686 -2.539 -0.340 1.00 0.00 H ATOM 1160 N ASN A 110 0.567 -4.571 -2.803 1.00 0.31 N ATOM 1161 CA ASN A 110 0.685 -5.647 -3.780 1.00 0.37 C ATOM 1162 C ASN A 110 -0.367 -5.507 -4.875 1.00 0.35 C ATOM 1163 O ASN A 110 -0.079 -5.735 -6.049 1.00 0.38 O ATOM 1164 CB ASN A 110 0.549 -7.014 -3.113 1.00 0.45 C ATOM 1165 CG ASN A 110 1.679 -7.338 -2.152 1.00 0.52 C ATOM 1166 OD1 ASN A 110 1.481 -8.049 -1.172 1.00 1.36 O ATOM 1167 ND2 ASN A 110 2.875 -6.839 -2.432 1.00 0.83 N ATOM 1168 HA ASN A 110 1.676 -5.572 -4.228 1.00 0.00 H ATOM 1169 HB2 ASN A 110 -0.390 -7.036 -2.560 1.00 0.00 H ATOM 1170 HB3 ASN A 110 0.529 -7.777 -3.891 1.00 0.00 H ATOM 1171 HD22 ASN A 110 3.005 -6.240 -3.272 1.00 0.00 H ATOM 1172 HD21 ASN A 110 3.683 -7.047 -1.812 1.00 0.00 H ATOM 1173 H ASN A 110 0.291 -4.799 -1.826 1.00 0.00 H ATOM 1174 N HIS A 111 -1.583 -5.121 -4.487 1.00 0.35 N ATOM 1175 CA HIS A 111 -2.666 -4.920 -5.451 1.00 0.37 C ATOM 1176 C HIS A 111 -2.264 -3.882 -6.495 1.00 0.31 C ATOM 1177 O HIS A 111 -2.428 -4.107 -7.689 1.00 0.36 O ATOM 1178 CB HIS A 111 -3.958 -4.487 -4.747 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.132 -4.362 -5.673 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -5.851 -5.440 -6.154 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -5.693 -3.264 -6.225 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -6.800 -5.005 -6.965 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -6.721 -3.688 -7.024 1.00 0.66 N ATOM 1184 HA HIS A 111 -2.851 -5.871 -5.951 1.00 0.00 H ATOM 1185 HB2 HIS A 111 -4.199 -5.226 -3.982 1.00 0.00 H ATOM 1186 HB3 HIS A 111 -3.786 -3.520 -4.275 1.00 0.00 H ATOM 1187 HD2 HIS A 111 -5.384 -2.231 -6.064 1.00 0.00 H ATOM 1188 HE1 HIS A 111 -7.523 -5.626 -7.494 1.00 0.00 H ATOM 1189 H HIS A 111 -1.766 -4.959 -3.476 1.00 0.00 H ATOM 1190 N LEU A 112 -1.722 -2.759 -6.037 1.00 0.25 N ATOM 1191 CA LEU A 112 -1.311 -1.681 -6.934 1.00 0.24 C ATOM 1192 C LEU A 112 -0.164 -2.127 -7.836 1.00 0.25 C ATOM 1193 O LEU A 112 -0.165 -1.849 -9.038 1.00 0.29 O ATOM 1194 CB LEU A 112 -0.906 -0.446 -6.128 1.00 0.25 C ATOM 1195 CG LEU A 112 -2.046 0.230 -5.356 1.00 0.33 C ATOM 1196 CD1 LEU A 112 -1.520 1.405 -4.543 1.00 0.89 C ATOM 1197 CD2 LEU A 112 -3.147 0.680 -6.307 1.00 0.57 C ATOM 1198 HA LEU A 112 -2.159 -1.424 -7.568 1.00 0.00 H ATOM 1199 HB2 LEU A 112 -0.143 -0.746 -5.410 1.00 0.00 H ATOM 1200 HB3 LEU A 112 -0.485 0.285 -6.818 1.00 0.00 H ATOM 1201 HG LEU A 112 -2.471 -0.498 -4.666 1.00 0.00 H ATOM 1202 HD21 LEU A 112 -2.737 1.390 -7.025 1.00 0.00 H ATOM 1203 HD22 LEU A 112 -3.544 -0.186 -6.837 1.00 0.00 H ATOM 1204 HD23 LEU A 112 -3.945 1.157 -5.738 1.00 0.00 H ATOM 1205 HD11 LEU A 112 -0.774 1.049 -3.832 1.00 0.00 H ATOM 1206 HD12 LEU A 112 -1.066 2.135 -5.213 1.00 0.00 H ATOM 1207 HD13 LEU A 112 -2.345 1.870 -4.003 1.00 0.00 H ATOM 1208 H LEU A 112 -1.586 -2.644 -5.012 1.00 0.00 H ATOM 1209 N ILE A 113 0.809 -2.825 -7.252 1.00 0.27 N ATOM 1210 CA ILE A 113 1.922 -3.383 -8.019 1.00 0.34 C ATOM 1211 C ILE A 113 1.400 -4.290 -9.123 1.00 0.37 C ATOM 1212 O ILE A 113 1.858 -4.227 -10.266 1.00 0.43 O ATOM 1213 CB ILE A 113 2.890 -4.183 -7.120 1.00 0.38 C ATOM 1214 CG1 ILE A 113 3.573 -3.253 -6.115 1.00 0.35 C ATOM 1215 CG2 ILE A 113 3.933 -4.909 -7.965 1.00 0.46 C ATOM 1216 CD1 ILE A 113 4.498 -3.973 -5.156 1.00 0.38 C ATOM 1217 HA ILE A 113 2.468 -2.546 -8.454 1.00 0.00 H ATOM 1218 HB ILE A 113 2.314 -4.928 -6.571 1.00 0.00 H ATOM 1219 HG12 ILE A 113 4.155 -2.515 -6.668 1.00 0.00 H ATOM 1220 HG13 ILE A 113 2.802 -2.745 -5.535 1.00 0.00 H ATOM 1221 HD11 ILE A 113 3.929 -4.708 -4.587 1.00 0.00 H ATOM 1222 HD12 ILE A 113 5.283 -4.477 -5.720 1.00 0.00 H ATOM 1223 HD13 ILE A 113 4.946 -3.250 -4.474 1.00 0.00 H ATOM 1224 HG21 ILE A 113 3.432 -5.598 -8.646 1.00 0.00 H ATOM 1225 HG22 ILE A 113 4.505 -4.180 -8.539 1.00 0.00 H ATOM 1226 HG23 ILE A 113 4.604 -5.466 -7.312 1.00 0.00 H ATOM 1227 H ILE A 113 0.776 -2.977 -6.224 1.00 0.00 H ATOM 1228 N LYS A 114 0.431 -5.126 -8.776 1.00 0.36 N ATOM 1229 CA LYS A 114 -0.180 -6.027 -9.740 1.00 0.42 C ATOM 1230 C LYS A 114 -0.850 -5.245 -10.864 1.00 0.36 C ATOM 1231 O LYS A 114 -0.708 -5.607 -12.025 1.00 0.39 O ATOM 1232 CB LYS A 114 -1.190 -6.957 -9.063 1.00 0.52 C ATOM 1233 CG LYS A 114 -1.922 -7.863 -10.042 1.00 0.64 C ATOM 1234 CD LYS A 114 -2.738 -8.929 -9.330 1.00 0.93 C ATOM 1235 CE LYS A 114 -3.576 -9.738 -10.310 1.00 1.55 C ATOM 1236 NZ LYS A 114 -2.747 -10.349 -11.384 1.00 2.07 N ATOM 1237 HA LYS A 114 0.613 -6.640 -10.169 1.00 0.00 H ATOM 1238 HB2 LYS A 114 -0.659 -7.581 -8.344 1.00 0.00 H ATOM 1239 HB3 LYS A 114 -1.926 -6.347 -8.539 1.00 0.00 H ATOM 1240 HG2 LYS A 114 -2.591 -7.256 -10.651 1.00 0.00 H ATOM 1241 HG3 LYS A 114 -1.190 -8.351 -10.685 1.00 0.00 H ATOM 1242 HD2 LYS A 114 -2.060 -9.601 -8.804 1.00 0.00 H ATOM 1243 HD3 LYS A 114 -3.400 -8.447 -8.611 1.00 0.00 H ATOM 1244 HE2 LYS A 114 -4.315 -9.080 -10.767 1.00 0.00 H ATOM 1245 HE3 LYS A 114 -4.086 -10.532 -9.765 1.00 0.00 H ATOM 1246 HZ1 LYS A 114 -2.261 -9.598 -11.915 1.00 0.00 H ATOM 1247 HZ2 LYS A 114 -2.043 -10.984 -10.958 1.00 0.00 H ATOM 1248 HZ3 LYS A 114 -3.359 -10.890 -12.027 1.00 0.00 H ATOM 1249 H LYS A 114 0.100 -5.138 -7.790 1.00 0.00 H ATOM 1250 N VAL A 115 -1.561 -4.170 -10.522 1.00 0.33 N ATOM 1251 CA VAL A 115 -2.205 -3.334 -11.538 1.00 0.37 C ATOM 1252 C VAL A 115 -1.168 -2.845 -12.549 1.00 0.40 C ATOM 1253 O VAL A 115 -1.415 -2.841 -13.759 1.00 0.43 O ATOM 1254 CB VAL A 115 -2.925 -2.109 -10.926 1.00 0.41 C ATOM 1255 CG1 VAL A 115 -3.703 -1.358 -11.991 1.00 0.50 C ATOM 1256 CG2 VAL A 115 -3.854 -2.525 -9.797 1.00 0.46 C ATOM 1257 HA VAL A 115 -2.954 -3.955 -12.029 1.00 0.00 H ATOM 1258 HB VAL A 115 -2.162 -1.448 -10.515 1.00 0.00 H ATOM 1259 HG11 VAL A 115 -3.017 -1.014 -12.765 1.00 0.00 H ATOM 1260 HG12 VAL A 115 -4.447 -2.022 -12.431 1.00 0.00 H ATOM 1261 HG13 VAL A 115 -4.201 -0.501 -11.538 1.00 0.00 H ATOM 1262 HG21 VAL A 115 -4.605 -3.214 -10.182 1.00 0.00 H ATOM 1263 HG22 VAL A 115 -3.276 -3.016 -9.014 1.00 0.00 H ATOM 1264 HG23 VAL A 115 -4.345 -1.642 -9.388 1.00 0.00 H ATOM 1265 H VAL A 115 -1.660 -3.921 -9.517 1.00 0.00 H ATOM 1266 N LYS A 116 -0.003 -2.446 -12.037 1.00 0.44 N ATOM 1267 CA LYS A 116 1.113 -2.038 -12.886 1.00 0.54 C ATOM 1268 C LYS A 116 1.585 -3.203 -13.761 1.00 0.59 C ATOM 1269 O LYS A 116 1.823 -3.033 -14.958 1.00 0.72 O ATOM 1270 CB LYS A 116 2.269 -1.515 -12.022 1.00 0.60 C ATOM 1271 CG LYS A 116 1.992 -0.161 -11.375 1.00 0.93 C ATOM 1272 CD LYS A 116 1.924 0.951 -12.410 1.00 1.13 C ATOM 1273 CE LYS A 116 3.248 1.111 -13.137 1.00 0.85 C ATOM 1274 NZ LYS A 116 3.159 2.076 -14.264 1.00 1.25 N ATOM 1275 HA LYS A 116 0.773 -1.237 -13.542 1.00 0.00 H ATOM 1276 HB2 LYS A 116 2.463 -2.240 -11.232 1.00 0.00 H ATOM 1277 HB3 LYS A 116 3.154 -1.420 -12.652 1.00 0.00 H ATOM 1278 HG2 LYS A 116 1.041 -0.210 -10.845 1.00 0.00 H ATOM 1279 HG3 LYS A 116 2.790 0.063 -10.667 1.00 0.00 H ATOM 1280 HD2 LYS A 116 1.146 0.713 -13.136 1.00 0.00 H ATOM 1281 HD3 LYS A 116 1.678 1.888 -11.910 1.00 0.00 H ATOM 1282 HE2 LYS A 116 3.553 0.141 -13.529 1.00 0.00 H ATOM 1283 HE3 LYS A 116 3.996 1.467 -12.429 1.00 0.00 H ATOM 1284 HZ1 LYS A 116 2.452 1.742 -14.950 1.00 0.00 H ATOM 1285 HZ2 LYS A 116 2.876 3.008 -13.899 1.00 0.00 H ATOM 1286 HZ3 LYS A 116 4.086 2.151 -14.729 1.00 0.00 H ATOM 1287 H LYS A 116 0.114 -2.425 -11.004 1.00 0.00 H ATOM 1288 N LEU A 117 1.695 -4.386 -13.161 1.00 0.52 N ATOM 1289 CA LEU A 117 2.123 -5.588 -13.876 1.00 0.60 C ATOM 1290 C LEU A 117 1.114 -5.990 -14.948 1.00 0.54 C ATOM 1291 O LEU A 117 1.477 -6.575 -15.969 1.00 0.63 O ATOM 1292 CB LEU A 117 2.326 -6.749 -12.901 1.00 0.66 C ATOM 1293 CG LEU A 117 3.467 -6.568 -11.899 1.00 0.79 C ATOM 1294 CD1 LEU A 117 3.498 -7.724 -10.912 1.00 0.91 C ATOM 1295 CD2 LEU A 117 4.797 -6.450 -12.631 1.00 0.94 C ATOM 1296 HA LEU A 117 3.070 -5.357 -14.365 1.00 0.00 H ATOM 1297 HB2 LEU A 117 1.402 -6.883 -12.339 1.00 0.00 H ATOM 1298 HB3 LEU A 117 2.529 -7.647 -13.484 1.00 0.00 H ATOM 1299 HG LEU A 117 3.297 -5.648 -11.340 1.00 0.00 H ATOM 1300 HD21 LEU A 117 4.972 -7.356 -13.212 1.00 0.00 H ATOM 1301 HD22 LEU A 117 4.768 -5.589 -13.298 1.00 0.00 H ATOM 1302 HD23 LEU A 117 5.600 -6.322 -11.905 1.00 0.00 H ATOM 1303 HD11 LEU A 117 2.553 -7.763 -10.370 1.00 0.00 H ATOM 1304 HD12 LEU A 117 3.646 -8.658 -11.453 1.00 0.00 H ATOM 1305 HD13 LEU A 117 4.317 -7.577 -10.208 1.00 0.00 H ATOM 1306 H LEU A 117 1.469 -4.458 -12.148 1.00 0.00 H ATOM 1307 N GLU A 118 -0.151 -5.672 -14.711 1.00 0.44 N ATOM 1308 CA GLU A 118 -1.216 -5.970 -15.663 1.00 0.46 C ATOM 1309 C GLU A 118 -1.126 -5.050 -16.883 1.00 0.49 C ATOM 1310 O GLU A 118 -1.893 -5.191 -17.835 1.00 0.54 O ATOM 1311 CB GLU A 118 -2.593 -5.813 -15.006 1.00 0.51 C ATOM 1312 CG GLU A 118 -2.816 -6.690 -13.782 1.00 0.63 C ATOM 1313 CD GLU A 118 -2.791 -8.172 -14.086 1.00 0.90 C ATOM 1314 OE1 GLU A 118 -3.660 -8.645 -14.848 1.00 1.17 O ATOM 1315 OE2 GLU A 118 -1.887 -8.871 -13.584 1.00 1.65 O ATOM 1316 HA GLU A 118 -1.092 -7.004 -15.986 1.00 0.00 H ATOM 1317 HB2 GLU A 118 -2.709 -4.772 -14.704 1.00 0.00 H ATOM 1318 HB3 GLU A 118 -3.353 -6.062 -15.746 1.00 0.00 H ATOM 1319 HG2 GLU A 118 -2.033 -6.474 -13.055 1.00 0.00 H ATOM 1320 HG3 GLU A 118 -3.787 -6.442 -13.353 1.00 0.00 H ATOM 1321 H GLU A 118 -0.392 -5.195 -13.819 1.00 0.00 H ATOM 1322 N GLY A 119 -0.198 -4.100 -16.840 1.00 0.55 N ATOM 1323 CA GLY A 119 -0.013 -3.188 -17.956 1.00 0.66 C ATOM 1324 C GLY A 119 -0.689 -1.853 -17.725 1.00 0.63 C ATOM 1325 O GLY A 119 -0.656 -0.969 -18.583 1.00 0.80 O ATOM 1326 HA3 GLY A 119 -0.432 -3.643 -18.854 1.00 0.00 H ATOM 1327 HA2 GLY A 119 1.055 -3.021 -18.099 1.00 0.00 H ATOM 1328 H GLY A 119 0.404 -4.008 -15.997 1.00 0.00 H ATOM 1329 N HIS A 120 -1.290 -1.700 -16.558 1.00 0.58 N ATOM 1330 CA HIS A 120 -2.058 -0.504 -16.252 1.00 0.62 C ATOM 1331 C HIS A 120 -1.363 0.302 -15.166 1.00 0.57 C ATOM 1332 O HIS A 120 -0.277 -0.057 -14.714 1.00 0.57 O ATOM 1333 CB HIS A 120 -3.477 -0.880 -15.808 1.00 0.66 C ATOM 1334 CG HIS A 120 -4.162 -1.850 -16.729 1.00 0.71 C ATOM 1335 ND1 HIS A 120 -4.691 -1.494 -17.951 1.00 0.94 N ATOM 1336 CD2 HIS A 120 -4.386 -3.180 -16.601 1.00 0.78 C ATOM 1337 CE1 HIS A 120 -5.207 -2.558 -18.535 1.00 1.06 C ATOM 1338 NE2 HIS A 120 -5.034 -3.594 -17.739 1.00 0.95 N ATOM 1339 HA HIS A 120 -2.126 0.106 -17.152 1.00 0.00 H ATOM 1340 HB2 HIS A 120 -3.420 -1.329 -14.816 1.00 0.00 H ATOM 1341 HB3 HIS A 120 -4.075 0.030 -15.760 1.00 0.00 H ATOM 1342 HD2 HIS A 120 -4.105 -3.805 -15.753 1.00 0.00 H ATOM 1343 HE1 HIS A 120 -5.694 -2.577 -19.510 1.00 0.00 H ATOM 1344 H HIS A 120 -1.212 -2.451 -15.843 1.00 0.00 H ATOM 1345 N GLU A 121 -1.973 1.401 -14.767 1.00 0.64 N ATOM 1346 CA GLU A 121 -1.430 2.225 -13.712 1.00 0.69 C ATOM 1347 C GLU A 121 -2.536 2.719 -12.795 1.00 0.65 C ATOM 1348 O GLU A 121 -3.701 2.789 -13.188 1.00 0.72 O ATOM 1349 CB GLU A 121 -0.646 3.417 -14.282 1.00 0.89 C ATOM 1350 CG GLU A 121 -1.429 4.300 -15.249 1.00 1.75 C ATOM 1351 CD GLU A 121 -1.599 3.674 -16.621 1.00 2.84 C ATOM 1352 OE1 GLU A 121 -0.650 3.745 -17.432 1.00 3.29 O ATOM 1353 OE2 GLU A 121 -2.678 3.113 -16.895 1.00 3.60 O ATOM 1354 HA GLU A 121 -0.741 1.609 -13.134 1.00 0.00 H ATOM 1355 HB2 GLU A 121 -0.318 4.037 -13.447 1.00 0.00 H ATOM 1356 HB3 GLU A 121 0.226 3.028 -14.809 1.00 0.00 H ATOM 1357 HG2 GLU A 121 -2.417 4.486 -14.827 1.00 0.00 H ATOM 1358 HG3 GLU A 121 -0.899 5.246 -15.362 1.00 0.00 H ATOM 1359 H GLU A 121 -2.865 1.681 -15.222 1.00 0.00 H ATOM 1360 N LEU A 122 -2.161 3.051 -11.573 1.00 0.71 N ATOM 1361 CA LEU A 122 -3.100 3.588 -10.604 1.00 0.72 C ATOM 1362 C LEU A 122 -3.303 5.078 -10.871 1.00 0.76 C ATOM 1363 O LEU A 122 -2.353 5.787 -11.196 1.00 0.88 O ATOM 1364 CB LEU A 122 -2.603 3.342 -9.165 1.00 0.80 C ATOM 1365 CG LEU A 122 -1.083 3.233 -8.986 1.00 0.79 C ATOM 1366 CD1 LEU A 122 -0.685 3.666 -7.582 1.00 1.51 C ATOM 1367 CD2 LEU A 122 -0.620 1.800 -9.232 1.00 0.97 C ATOM 1368 HA LEU A 122 -4.057 3.077 -10.708 1.00 0.00 H ATOM 1369 HB2 LEU A 122 -2.953 4.168 -8.545 1.00 0.00 H ATOM 1370 HB3 LEU A 122 -3.048 2.411 -8.813 1.00 0.00 H ATOM 1371 HG LEU A 122 -0.604 3.890 -9.712 1.00 0.00 H ATOM 1372 HD21 LEU A 122 -1.110 1.134 -8.522 1.00 0.00 H ATOM 1373 HD22 LEU A 122 -0.880 1.505 -10.248 1.00 0.00 H ATOM 1374 HD23 LEU A 122 0.460 1.741 -9.101 1.00 0.00 H ATOM 1375 HD11 LEU A 122 -0.990 4.700 -7.422 1.00 0.00 H ATOM 1376 HD12 LEU A 122 -1.177 3.024 -6.852 1.00 0.00 H ATOM 1377 HD13 LEU A 122 0.396 3.583 -7.470 1.00 0.00 H ATOM 1378 H LEU A 122 -1.166 2.924 -11.297 1.00 0.00 H ATOM 1379 N PRO A 123 -4.545 5.572 -10.747 1.00 0.79 N ATOM 1380 CA PRO A 123 -4.894 6.965 -11.089 1.00 0.89 C ATOM 1381 C PRO A 123 -4.385 7.993 -10.074 1.00 0.80 C ATOM 1382 O PRO A 123 -4.731 9.173 -10.153 1.00 0.89 O ATOM 1383 CB PRO A 123 -6.419 6.948 -11.091 1.00 1.01 C ATOM 1384 CG PRO A 123 -6.788 5.859 -10.145 1.00 0.93 C ATOM 1385 CD PRO A 123 -5.719 4.809 -10.280 1.00 0.83 C ATOM 1386 HA PRO A 123 -4.438 7.265 -12.033 1.00 0.00 H ATOM 1387 HD3 PRO A 123 -5.518 4.332 -9.321 1.00 0.00 H ATOM 1388 HD2 PRO A 123 -6.007 4.051 -11.009 1.00 0.00 H ATOM 1389 HG3 PRO A 123 -7.761 5.444 -10.406 1.00 0.00 H ATOM 1390 HG2 PRO A 123 -6.819 6.239 -9.124 1.00 0.00 H ATOM 1391 HB2 PRO A 123 -6.815 7.904 -10.749 1.00 0.00 H ATOM 1392 HB3 PRO A 123 -6.800 6.735 -12.090 1.00 0.00 H ATOM 1393 N ALA A 124 -3.568 7.530 -9.128 1.00 0.67 N ATOM 1394 CA ALA A 124 -3.048 8.365 -8.043 1.00 0.67 C ATOM 1395 C ALA A 124 -4.178 8.865 -7.147 1.00 0.62 C ATOM 1396 O ALA A 124 -4.015 9.819 -6.386 1.00 0.71 O ATOM 1397 CB ALA A 124 -2.237 9.535 -8.592 1.00 0.87 C ATOM 1398 HA ALA A 124 -2.384 7.748 -7.438 1.00 0.00 H ATOM 1399 HB1 ALA A 124 -1.397 9.153 -9.172 1.00 0.00 H ATOM 1400 HB2 ALA A 124 -2.873 10.148 -9.231 1.00 0.00 H ATOM 1401 HB3 ALA A 124 -1.864 10.137 -7.764 1.00 0.00 H ATOM 1402 H ALA A 124 -3.287 6.529 -9.162 1.00 0.00 H ATOM 1403 N ASP A 125 -5.318 8.190 -7.222 1.00 0.57 N ATOM 1404 CA ASP A 125 -6.462 8.523 -6.389 1.00 0.57 C ATOM 1405 C ASP A 125 -6.845 7.339 -5.538 1.00 0.50 C ATOM 1406 O ASP A 125 -6.994 6.230 -6.048 1.00 0.56 O ATOM 1407 CB ASP A 125 -7.682 8.933 -7.224 1.00 0.68 C ATOM 1408 CG ASP A 125 -7.482 10.225 -7.985 1.00 1.13 C ATOM 1409 OD1 ASP A 125 -7.402 11.292 -7.343 1.00 1.35 O ATOM 1410 OD2 ASP A 125 -7.387 10.177 -9.231 1.00 1.94 O ATOM 1411 HA ASP A 125 -6.166 9.366 -5.765 1.00 0.00 H ATOM 1412 HB2 ASP A 125 -7.894 8.139 -7.940 1.00 0.00 H ATOM 1413 HB3 ASP A 125 -8.534 9.054 -6.555 1.00 0.00 H ATOM 1414 H ASP A 125 -5.395 7.401 -7.895 1.00 0.00 H ATOM 1415 N LEU A 126 -6.949 7.560 -4.240 1.00 0.45 N ATOM 1416 CA LEU A 126 -7.567 6.589 -3.355 1.00 0.48 C ATOM 1417 C LEU A 126 -9.047 6.918 -3.158 1.00 0.51 C ATOM 1418 O LEU A 126 -9.394 7.783 -2.351 1.00 0.56 O ATOM 1419 CB LEU A 126 -6.865 6.565 -2.001 1.00 0.54 C ATOM 1420 CG LEU A 126 -5.383 6.181 -2.032 1.00 0.54 C ATOM 1421 CD1 LEU A 126 -4.809 6.186 -0.625 1.00 0.67 C ATOM 1422 CD2 LEU A 126 -5.181 4.822 -2.697 1.00 0.56 C ATOM 1423 HA LEU A 126 -7.474 5.606 -3.816 1.00 0.00 H ATOM 1424 HB2 LEU A 126 -6.945 7.560 -1.564 1.00 0.00 H ATOM 1425 HB3 LEU A 126 -7.385 5.847 -1.366 1.00 0.00 H ATOM 1426 HG LEU A 126 -4.850 6.922 -2.627 1.00 0.00 H ATOM 1427 HD21 LEU A 126 -5.727 4.061 -2.139 1.00 0.00 H ATOM 1428 HD22 LEU A 126 -5.553 4.861 -3.721 1.00 0.00 H ATOM 1429 HD23 LEU A 126 -4.119 4.577 -2.704 1.00 0.00 H ATOM 1430 HD11 LEU A 126 -4.911 7.183 -0.196 1.00 0.00 H ATOM 1431 HD12 LEU A 126 -5.351 5.468 -0.010 1.00 0.00 H ATOM 1432 HD13 LEU A 126 -3.755 5.911 -0.663 1.00 0.00 H ATOM 1433 H LEU A 126 -6.581 8.448 -3.844 1.00 0.00 H ATOM 1434 N PRO A 127 -9.936 6.260 -3.914 1.00 0.55 N ATOM 1435 CA PRO A 127 -11.379 6.416 -3.750 1.00 0.61 C ATOM 1436 C PRO A 127 -11.916 5.528 -2.625 1.00 0.50 C ATOM 1437 O PRO A 127 -11.181 4.698 -2.089 1.00 0.46 O ATOM 1438 CB PRO A 127 -11.918 5.957 -5.103 1.00 0.75 C ATOM 1439 CG PRO A 127 -10.956 4.923 -5.555 1.00 0.72 C ATOM 1440 CD PRO A 127 -9.611 5.322 -5.007 1.00 0.63 C ATOM 1441 HA PRO A 127 -11.671 7.431 -3.479 1.00 0.00 H ATOM 1442 HD3 PRO A 127 -9.074 4.453 -4.626 1.00 0.00 H ATOM 1443 HD2 PRO A 127 -9.010 5.812 -5.773 1.00 0.00 H ATOM 1444 HG3 PRO A 127 -10.924 4.888 -6.644 1.00 0.00 H ATOM 1445 HG2 PRO A 127 -11.245 3.945 -5.170 1.00 0.00 H ATOM 1446 HB2 PRO A 127 -12.917 5.534 -4.997 1.00 0.00 H ATOM 1447 HB3 PRO A 127 -11.950 6.788 -5.807 1.00 0.00 H ATOM 1448 N PRO A 128 -13.206 5.674 -2.266 1.00 0.52 N ATOM 1449 CA PRO A 128 -13.835 4.867 -1.213 1.00 0.52 C ATOM 1450 C PRO A 128 -13.662 3.363 -1.422 1.00 0.50 C ATOM 1451 O PRO A 128 -13.566 2.609 -0.461 1.00 0.58 O ATOM 1452 CB PRO A 128 -15.310 5.242 -1.303 1.00 0.66 C ATOM 1453 CG PRO A 128 -15.327 6.599 -1.910 1.00 0.71 C ATOM 1454 CD PRO A 128 -14.146 6.657 -2.837 1.00 0.63 C ATOM 1455 HA PRO A 128 -13.382 5.067 -0.242 1.00 0.00 H ATOM 1456 HD3 PRO A 128 -14.433 6.378 -3.851 1.00 0.00 H ATOM 1457 HD2 PRO A 128 -13.707 7.655 -2.847 1.00 0.00 H ATOM 1458 HG3 PRO A 128 -15.238 7.361 -1.136 1.00 0.00 H ATOM 1459 HG2 PRO A 128 -16.252 6.753 -2.465 1.00 0.00 H ATOM 1460 HB2 PRO A 128 -15.848 4.534 -1.933 1.00 0.00 H ATOM 1461 HB3 PRO A 128 -15.762 5.260 -0.311 1.00 0.00 H ATOM 1462 N HIS A 129 -13.596 2.932 -2.680 1.00 0.50 N ATOM 1463 CA HIS A 129 -13.506 1.503 -2.983 1.00 0.59 C ATOM 1464 C HIS A 129 -12.052 1.036 -3.072 1.00 0.60 C ATOM 1465 O HIS A 129 -11.770 -0.054 -3.571 1.00 0.74 O ATOM 1466 CB HIS A 129 -14.280 1.158 -4.269 1.00 0.71 C ATOM 1467 CG HIS A 129 -13.725 1.741 -5.535 1.00 0.74 C ATOM 1468 ND1 HIS A 129 -14.183 2.910 -6.101 1.00 0.79 N ATOM 1469 CD2 HIS A 129 -12.777 1.268 -6.378 1.00 0.86 C ATOM 1470 CE1 HIS A 129 -13.540 3.127 -7.235 1.00 0.91 C ATOM 1471 NE2 HIS A 129 -12.679 2.147 -7.424 1.00 0.94 N ATOM 1472 HA HIS A 129 -13.971 0.965 -2.157 1.00 0.00 H ATOM 1473 HB2 HIS A 129 -14.289 0.073 -4.375 1.00 0.00 H ATOM 1474 HB3 HIS A 129 -15.302 1.519 -4.153 1.00 0.00 H ATOM 1475 HD2 HIS A 129 -12.197 0.354 -6.248 1.00 0.00 H ATOM 1476 HE1 HIS A 129 -13.696 3.975 -7.902 1.00 0.00 H ATOM 1477 H HIS A 129 -13.609 3.621 -3.459 1.00 0.00 H ATOM 1478 N LEU A 130 -11.133 1.868 -2.591 1.00 0.50 N ATOM 1479 CA LEU A 130 -9.727 1.487 -2.482 1.00 0.56 C ATOM 1480 C LEU A 130 -9.190 1.816 -1.091 1.00 0.56 C ATOM 1481 O LEU A 130 -8.275 1.157 -0.602 1.00 0.64 O ATOM 1482 CB LEU A 130 -8.874 2.173 -3.553 1.00 0.60 C ATOM 1483 CG LEU A 130 -9.021 1.603 -4.970 1.00 0.71 C ATOM 1484 CD1 LEU A 130 -8.077 2.310 -5.928 1.00 0.79 C ATOM 1485 CD2 LEU A 130 -8.754 0.105 -4.976 1.00 0.83 C ATOM 1486 HA LEU A 130 -9.664 0.411 -2.642 1.00 0.00 H ATOM 1487 HB2 LEU A 130 -9.152 3.226 -3.582 1.00 0.00 H ATOM 1488 HB3 LEU A 130 -7.828 2.083 -3.260 1.00 0.00 H ATOM 1489 HG LEU A 130 -10.045 1.773 -5.302 1.00 0.00 H ATOM 1490 HD21 LEU A 130 -7.740 -0.083 -4.623 1.00 0.00 H ATOM 1491 HD22 LEU A 130 -9.467 -0.393 -4.319 1.00 0.00 H ATOM 1492 HD23 LEU A 130 -8.864 -0.278 -5.990 1.00 0.00 H ATOM 1493 HD11 LEU A 130 -8.311 3.374 -5.948 1.00 0.00 H ATOM 1494 HD12 LEU A 130 -7.049 2.169 -5.594 1.00 0.00 H ATOM 1495 HD13 LEU A 130 -8.196 1.892 -6.928 1.00 0.00 H ATOM 1496 H LEU A 130 -11.424 2.818 -2.283 1.00 0.00 H ATOM 1497 N VAL A 131 -9.758 2.840 -0.461 1.00 0.58 N ATOM 1498 CA VAL A 131 -9.417 3.174 0.917 1.00 0.65 C ATOM 1499 C VAL A 131 -10.053 2.170 1.871 1.00 0.79 C ATOM 1500 O VAL A 131 -11.274 2.014 1.900 1.00 0.92 O ATOM 1501 CB VAL A 131 -9.885 4.594 1.300 1.00 0.68 C ATOM 1502 CG1 VAL A 131 -9.574 4.891 2.760 1.00 1.44 C ATOM 1503 CG2 VAL A 131 -9.243 5.635 0.399 1.00 1.40 C ATOM 1504 HA VAL A 131 -8.331 3.137 0.998 1.00 0.00 H ATOM 1505 HB VAL A 131 -10.965 4.640 1.163 1.00 0.00 H ATOM 1506 HG11 VAL A 131 -10.088 4.168 3.394 1.00 0.00 H ATOM 1507 HG12 VAL A 131 -8.499 4.819 2.923 1.00 0.00 H ATOM 1508 HG13 VAL A 131 -9.914 5.897 3.005 1.00 0.00 H ATOM 1509 HG21 VAL A 131 -8.159 5.582 0.500 1.00 0.00 H ATOM 1510 HG22 VAL A 131 -9.522 5.440 -0.636 1.00 0.00 H ATOM 1511 HG23 VAL A 131 -9.589 6.627 0.689 1.00 0.00 H ATOM 1512 H VAL A 131 -10.463 3.417 -0.963 1.00 0.00 H ATOM 1513 N PRO A 132 -9.229 1.471 2.658 1.00 0.88 N ATOM 1514 CA PRO A 132 -9.713 0.479 3.609 1.00 1.09 C ATOM 1515 C PRO A 132 -10.617 1.104 4.664 1.00 1.10 C ATOM 1516 O PRO A 132 -10.404 2.247 5.070 1.00 0.97 O ATOM 1517 CB PRO A 132 -8.442 -0.068 4.261 1.00 1.22 C ATOM 1518 CG PRO A 132 -7.325 0.337 3.362 1.00 1.22 C ATOM 1519 CD PRO A 132 -7.766 1.599 2.684 1.00 0.93 C ATOM 1520 HA PRO A 132 -10.311 -0.290 3.120 1.00 0.00 H ATOM 1521 HD3 PRO A 132 -7.460 2.477 3.253 1.00 0.00 H ATOM 1522 HD2 PRO A 132 -7.361 1.663 1.674 1.00 0.00 H ATOM 1523 HG3 PRO A 132 -7.134 -0.441 2.623 1.00 0.00 H ATOM 1524 HG2 PRO A 132 -6.420 0.516 3.942 1.00 0.00 H ATOM 1525 HB2 PRO A 132 -8.307 0.362 5.253 1.00 0.00 H ATOM 1526 HB3 PRO A 132 -8.492 -1.154 4.341 1.00 0.00 H ATOM 1527 N PRO A 133 -11.622 0.350 5.142 1.00 1.36 N ATOM 1528 CA PRO A 133 -12.592 0.841 6.129 1.00 1.54 C ATOM 1529 C PRO A 133 -11.924 1.319 7.412 1.00 1.51 C ATOM 1530 O PRO A 133 -12.465 2.160 8.128 1.00 1.67 O ATOM 1531 CB PRO A 133 -13.472 -0.378 6.414 1.00 1.84 C ATOM 1532 CG PRO A 133 -13.305 -1.248 5.220 1.00 1.86 C ATOM 1533 CD PRO A 133 -11.891 -1.046 4.763 1.00 1.58 C ATOM 1534 HA PRO A 133 -13.144 1.702 5.753 1.00 0.00 H ATOM 1535 HD3 PRO A 133 -11.212 -1.729 5.273 1.00 0.00 H ATOM 1536 HD2 PRO A 133 -11.803 -1.185 3.685 1.00 0.00 H ATOM 1537 HG3 PRO A 133 -14.003 -0.955 4.436 1.00 0.00 H ATOM 1538 HG2 PRO A 133 -13.474 -2.292 5.484 1.00 0.00 H ATOM 1539 HB2 PRO A 133 -13.138 -0.892 7.315 1.00 0.00 H ATOM 1540 HB3 PRO A 133 -14.514 -0.082 6.532 1.00 0.00 H ATOM 1541 N SER A 134 -10.735 0.794 7.687 1.00 1.40 N ATOM 1542 CA SER A 134 -9.995 1.172 8.876 1.00 1.43 C ATOM 1543 C SER A 134 -9.548 2.628 8.799 1.00 1.30 C ATOM 1544 O SER A 134 -9.238 3.238 9.817 1.00 1.46 O ATOM 1545 CB SER A 134 -8.782 0.257 9.060 1.00 1.43 C ATOM 1546 OG SER A 134 -8.068 0.567 10.252 1.00 2.07 O ATOM 1547 HA SER A 134 -10.655 1.062 9.736 1.00 0.00 H ATOM 1548 HB2 SER A 134 -8.115 0.377 8.206 1.00 0.00 H ATOM 1549 HB3 SER A 134 -9.123 -0.777 9.110 1.00 0.00 H ATOM 1550 HG SER A 134 -7.750 1.504 10.211 1.00 0.00 H ATOM 1551 H SER A 134 -10.325 0.096 7.034 1.00 0.00 H ATOM 1552 N LYS A 135 -9.503 3.171 7.585 1.00 1.09 N ATOM 1553 CA LYS A 135 -9.066 4.544 7.383 1.00 1.04 C ATOM 1554 C LYS A 135 -10.160 5.392 6.728 1.00 1.20 C ATOM 1555 O LYS A 135 -9.869 6.387 6.062 1.00 1.27 O ATOM 1556 CB LYS A 135 -7.784 4.586 6.540 1.00 0.89 C ATOM 1557 CG LYS A 135 -6.568 4.016 7.259 1.00 0.87 C ATOM 1558 CD LYS A 135 -6.392 2.524 7.006 1.00 0.93 C ATOM 1559 CE LYS A 135 -5.531 1.884 8.087 1.00 1.23 C ATOM 1560 NZ LYS A 135 -5.023 0.543 7.697 1.00 1.27 N ATOM 1561 HA LYS A 135 -8.856 4.969 8.365 1.00 0.00 H ATOM 1562 HB2 LYS A 135 -7.949 4.009 5.630 1.00 0.00 H ATOM 1563 HB3 LYS A 135 -7.576 5.623 6.278 1.00 0.00 H ATOM 1564 HG2 LYS A 135 -5.677 4.538 6.910 1.00 0.00 H ATOM 1565 HG3 LYS A 135 -6.686 4.178 8.330 1.00 0.00 H ATOM 1566 HD2 LYS A 135 -7.371 2.045 7.000 1.00 0.00 H ATOM 1567 HD3 LYS A 135 -5.913 2.381 6.037 1.00 0.00 H ATOM 1568 HE2 LYS A 135 -6.128 1.781 8.993 1.00 0.00 H ATOM 1569 HE3 LYS A 135 -4.680 2.535 8.286 1.00 0.00 H ATOM 1570 HZ1 LYS A 135 -5.827 -0.091 7.513 1.00 0.00 H ATOM 1571 HZ2 LYS A 135 -4.444 0.630 6.838 1.00 0.00 H ATOM 1572 HZ3 LYS A 135 -4.444 0.155 8.469 1.00 0.00 H ATOM 1573 H LYS A 135 -9.786 2.601 6.762 1.00 0.00 H ATOM 1574 N ARG A 136 -11.417 5.003 6.926 1.00 1.35 N ATOM 1575 CA ARG A 136 -12.545 5.765 6.390 1.00 1.57 C ATOM 1576 C ARG A 136 -13.041 6.782 7.412 1.00 1.86 C ATOM 1577 O ARG A 136 -13.612 6.419 8.444 1.00 1.91 O ATOM 1578 CB ARG A 136 -13.690 4.836 5.968 1.00 1.66 C ATOM 1579 CG ARG A 136 -13.352 3.961 4.773 1.00 1.55 C ATOM 1580 CD ARG A 136 -13.054 4.794 3.536 1.00 1.64 C ATOM 1581 NE ARG A 136 -14.229 5.538 3.080 1.00 2.03 N ATOM 1582 CZ ARG A 136 -14.178 6.600 2.280 1.00 2.56 C ATOM 1583 NH1 ARG A 136 -13.012 7.077 1.861 1.00 3.07 N ATOM 1584 NH2 ARG A 136 -15.300 7.197 1.909 1.00 3.04 N ATOM 1585 HA ARG A 136 -12.196 6.299 5.506 1.00 0.00 H ATOM 1586 HB2 ARG A 136 -13.938 4.190 6.810 1.00 0.00 H ATOM 1587 HB3 ARG A 136 -14.555 5.448 5.714 1.00 0.00 H ATOM 1588 HG2 ARG A 136 -12.477 3.357 5.013 1.00 0.00 H ATOM 1589 HG3 ARG A 136 -14.198 3.306 4.563 1.00 0.00 H ATOM 1590 HD2 ARG A 136 -12.725 4.131 2.736 1.00 0.00 H ATOM 1591 HD3 ARG A 136 -12.259 5.501 3.771 1.00 0.00 H ATOM 1592 HE ARG A 136 -15.164 5.216 3.402 1.00 0.00 H ATOM 1593 HH12 ARG A 136 -12.984 7.908 1.236 1.00 0.00 H ATOM 1594 HH11 ARG A 136 -12.126 6.620 2.158 1.00 0.00 H ATOM 1595 HH22 ARG A 136 -15.265 8.027 1.284 1.00 0.00 H ATOM 1596 HH21 ARG A 136 -16.216 6.836 2.243 1.00 0.00 H ATOM 1597 H ARG A 136 -11.602 4.138 7.474 1.00 0.00 H ATOM 1598 N ARG A 137 -12.806 8.054 7.119 1.00 2.15 N ATOM 1599 CA ARG A 137 -13.156 9.134 8.031 1.00 2.50 C ATOM 1600 C ARG A 137 -14.655 9.401 8.035 1.00 2.95 C ATOM 1601 O ARG A 137 -15.242 9.728 7.003 1.00 3.20 O ATOM 1602 CB ARG A 137 -12.421 10.421 7.649 1.00 2.86 C ATOM 1603 CG ARG A 137 -10.913 10.347 7.809 1.00 3.19 C ATOM 1604 CD ARG A 137 -10.247 11.643 7.369 1.00 3.72 C ATOM 1605 NE ARG A 137 -10.747 12.805 8.108 1.00 4.09 N ATOM 1606 CZ ARG A 137 -10.258 14.040 7.986 1.00 4.82 C ATOM 1607 NH1 ARG A 137 -9.279 14.298 7.123 1.00 5.22 N ATOM 1608 NH2 ARG A 137 -10.770 15.023 8.712 1.00 5.46 N ATOM 1609 HA ARG A 137 -12.854 8.820 9.030 1.00 0.00 H ATOM 1610 HB2 ARG A 137 -12.644 10.646 6.606 1.00 0.00 H ATOM 1611 HB3 ARG A 137 -12.793 11.228 8.281 1.00 0.00 H ATOM 1612 HG2 ARG A 137 -10.675 10.163 8.857 1.00 0.00 H ATOM 1613 HG3 ARG A 137 -10.531 9.527 7.201 1.00 0.00 H ATOM 1614 HD2 ARG A 137 -10.440 11.793 6.307 1.00 0.00 H ATOM 1615 HD3 ARG A 137 -9.173 11.559 7.533 1.00 0.00 H ATOM 1616 HE ARG A 137 -11.535 12.657 8.771 1.00 0.00 H ATOM 1617 HH12 ARG A 137 -8.904 15.264 7.035 1.00 0.00 H ATOM 1618 HH11 ARG A 137 -8.888 13.533 6.536 1.00 0.00 H ATOM 1619 HH22 ARG A 137 -10.393 15.988 8.621 1.00 0.00 H ATOM 1620 HH21 ARG A 137 -11.549 14.830 9.373 1.00 0.00 H ATOM 1621 H ARG A 137 -12.358 8.287 6.210 1.00 0.00 H ATOM 1622 N HIS A 138 -15.268 9.250 9.195 1.00 3.24 N ATOM 1623 CA HIS A 138 -16.653 9.647 9.374 1.00 3.79 C ATOM 1624 C HIS A 138 -16.707 10.967 10.127 1.00 4.40 C ATOM 1625 O HIS A 138 -16.093 11.102 11.186 1.00 4.46 O ATOM 1626 CB HIS A 138 -17.469 8.557 10.099 1.00 3.91 C ATOM 1627 CG HIS A 138 -16.913 8.116 11.429 1.00 4.55 C ATOM 1628 ND1 HIS A 138 -16.191 6.952 11.588 1.00 4.96 N ATOM 1629 CD2 HIS A 138 -16.986 8.677 12.663 1.00 5.14 C ATOM 1630 CE1 HIS A 138 -15.844 6.816 12.855 1.00 5.75 C ATOM 1631 NE2 HIS A 138 -16.315 7.847 13.527 1.00 5.80 N ATOM 1632 HA HIS A 138 -17.107 9.778 8.392 1.00 0.00 H ATOM 1633 HB2 HIS A 138 -18.475 8.943 10.265 1.00 0.00 H ATOM 1634 HB3 HIS A 138 -17.519 7.684 9.448 1.00 0.00 H ATOM 1635 HD2 HIS A 138 -17.484 9.612 12.920 1.00 0.00 H ATOM 1636 HE1 HIS A 138 -15.267 5.992 13.273 1.00 0.00 H ATOM 1637 H HIS A 138 -14.748 8.838 9.996 1.00 0.00 H ATOM 1638 N GLU A 139 -17.414 11.935 9.554 1.00 4.94 N ATOM 1639 CA GLU A 139 -17.554 13.267 10.141 1.00 5.66 C ATOM 1640 C GLU A 139 -16.188 13.944 10.278 1.00 6.33 C ATOM 1641 O GLU A 139 -15.738 14.177 11.422 1.00 6.61 O ATOM 1642 CB GLU A 139 -18.258 13.191 11.504 1.00 5.83 C ATOM 1643 CG GLU A 139 -19.635 12.543 11.450 1.00 6.14 C ATOM 1644 CD GLU A 139 -20.627 13.330 10.618 1.00 6.54 C ATOM 1645 OE1 GLU A 139 -21.134 14.360 11.106 1.00 6.74 O ATOM 1646 OE2 GLU A 139 -20.925 12.907 9.477 1.00 6.93 O ATOM 1647 HA GLU A 139 -18.169 13.869 9.472 1.00 0.00 H ATOM 1648 OXT GLU A 139 -15.554 14.212 9.235 1.00 6.88 O ATOM 1649 HB2 GLU A 139 -17.632 12.612 12.183 1.00 0.00 H ATOM 1650 HB3 GLU A 139 -18.370 14.204 11.890 1.00 0.00 H ATOM 1651 HG2 GLU A 139 -19.534 11.547 11.020 1.00 0.00 H ATOM 1652 HG3 GLU A 139 -20.021 12.461 12.466 1.00 0.00 H ATOM 1653 H GLU A 139 -17.888 11.737 8.650 1.00 0.00 H TER 1654 GLU A 139 HETATM 1655 CA CA A 1 1.016 1.920 6.960 1.00 0.67 CA HETATM 1656 N LEU A 2 8.679 19.483 4.935 1.00 0.24 N HETATM 1657 CA LEU A 2 7.539 18.560 5.133 1.00 0.07 C HETATM 1658 C LEU A 2 7.143 17.879 3.824 1.00 0.23 C HETATM 1659 O LEU A 2 6.318 16.962 3.819 1.00 -0.39 O HETATM 1660 N LEU A 2 7.718 18.317 2.709 1.00 -0.26 N HETATM 1661 CA LEU A 2 7.348 17.761 1.416 1.00 0.13 C HETATM 1662 C LEU A 2 8.130 16.495 1.112 1.00 0.20 C HETATM 1663 O LEU A 2 7.619 15.591 0.454 1.00 -0.39 O HETATM 1664 N LEU A 2 9.356 16.426 1.599 1.00 -0.26 N HETATM 1665 CA LEU A 2 10.121 15.198 1.512 1.00 0.15 C HETATM 1666 C LEU A 2 9.534 14.198 2.503 1.00 0.21 C HETATM 1667 O LEU A 2 9.705 14.347 3.714 1.00 -0.39 O HETATM 1668 N LEU A 2 8.809 13.208 1.995 1.00 -0.26 N HETATM 1669 CA LEU A 2 8.086 12.286 2.855 1.00 0.13 C HETATM 1670 C LEU A 2 8.984 11.129 3.298 1.00 0.21 C HETATM 1671 O LEU A 2 9.293 10.227 2.518 1.00 -0.39 O HETATM 1672 N LEU A 2 9.395 11.131 4.576 1.00 -0.25 N HETATM 1673 CA LEU A 2 10.366 10.180 5.109 1.00 0.13 C HETATM 1674 C LEU A 2 9.730 8.869 5.560 1.00 0.20 C HETATM 1675 O LEU A 2 10.349 8.076 6.271 1.00 -0.39 O HETATM 1676 N LEU A 2 8.501 8.639 5.128 1.00 -0.26 N HETATM 1677 CA LEU A 2 7.765 7.445 5.514 1.00 0.14 C HETATM 1678 C LEU A 2 7.853 6.407 4.410 1.00 0.21 C HETATM 1679 O LEU A 2 7.268 5.328 4.500 1.00 -0.39 O HETATM 1680 N LEU A 2 8.593 6.752 3.371 1.00 -0.26 N HETATM 1681 CA LEU A 2 8.712 5.909 2.199 1.00 0.15 C HETATM 1682 C LEU A 2 10.152 5.419 2.059 1.00 0.21 C HETATM 1683 O LEU A 2 11.073 6.220 1.900 1.00 -0.39 O HETATM 1684 N LEU A 2 10.363 4.092 2.129 1.00 -0.25 N HETATM 1685 CA LEU A 2 11.696 3.487 2.004 1.00 0.13 C HETATM 1686 C LEU A 2 12.234 3.542 0.575 1.00 0.20 C HETATM 1687 O LEU A 2 13.338 3.086 0.297 1.00 -0.39 O HETATM 1688 N LEU A 2 11.429 4.057 -0.335 1.00 -0.26 N HETATM 1689 CA LEU A 2 11.859 4.257 -1.705 1.00 0.14 C HETATM 1690 C LEU A 2 12.051 5.743 -1.959 1.00 0.21 C HETATM 1691 O LEU A 2 12.315 6.173 -3.081 1.00 -0.39 O HETATM 1692 N LEU A 2 11.918 6.511 -0.891 1.00 -0.26 N HETATM 1693 CA LEU A 2 12.012 7.957 -0.954 1.00 0.13 C HETATM 1694 C LEU A 2 12.996 8.426 0.116 1.00 0.20 C HETATM 1695 O LEU A 2 13.035 9.598 0.491 1.00 -0.39 O HETATM 1696 N LEU A 2 13.799 7.482 0.596 1.00 -0.26 N HETATM 1697 CA LEU A 2 14.767 7.754 1.648 1.00 0.13 C HETATM 1698 C LEU A 2 16.004 8.474 1.098 1.00 0.20 C HETATM 1699 O LEU A 2 16.993 7.846 0.724 1.00 -0.39 O HETATM 1700 N LEU A 2 15.901 9.811 1.046 1.00 -0.26 N HETATM 1701 CA LEU A 2 16.973 10.704 0.589 1.00 0.13 C HETATM 1702 C LEU A 2 17.173 10.619 -0.928 1.00 0.20 C HETATM 1703 O LEU A 2 16.937 9.584 -1.546 1.00 -0.39 O HETATM 1704 N LEU A 2 17.589 11.729 -1.529 1.00 -0.26 N HETATM 1705 CA LEU A 2 17.670 11.810 -2.981 1.00 0.13 C HETATM 1706 C LEU A 2 19.120 11.739 -3.463 1.00 0.20 C HETATM 1707 O LEU A 2 19.552 10.727 -4.015 1.00 -0.39 O HETATM 1708 N LEU A 2 19.867 12.815 -3.255 1.00 -0.26 N HETATM 1709 CA LEU A 2 21.251 12.882 -3.723 1.00 0.13 C HETATM 1710 C LEU A 2 22.200 13.034 -2.544 1.00 0.20 C HETATM 1711 O LEU A 2 23.373 12.660 -2.615 1.00 -0.39 O HETATM 1712 N LEU A 2 21.669 13.595 -1.474 1.00 -0.27 N HETATM 1713 CA LEU A 2 22.407 13.822 -0.244 1.00 0.11 C HETATM 1714 C LEU A 2 21.470 13.631 0.927 1.00 0.06 C HETATM 1715 O LEU A 2 21.749 12.768 1.781 1.00 -0.57 O HETATM 1716 OXT LEU A 2 20.428 14.323 0.957 1.00 -0.57 O HETATM 1717 CB LEU A 2 22.998 15.237 -0.201 1.00 0.04 C HETATM 1718 CG LEU A 2 24.382 15.325 -0.810 1.00 0.04 C HETATM 1719 OD1 LEU A 2 24.489 15.583 -2.028 1.00 -0.57 O HETATM 1720 OD2 LEU A 2 25.374 15.170 -0.064 1.00 -0.57 O HETATM 1721 H108 LEU A 2 23.057 15.559 0.849 1.00 0.05 H HETATM 1722 H109 LEU A 2 22.329 15.912 -0.755 1.00 0.05 H HETATM 1723 H107 LEU A 2 23.227 13.092 -0.178 1.00 0.07 H HETATM 1724 H106 LEU A 2 20.711 13.878 -1.512 1.00 0.19 H HETATM 1725 CB LEU A 2 21.428 14.060 -4.677 1.00 -0.00 C HETATM 1726 CG LEU A 2 20.424 14.086 -5.817 1.00 0.00 C HETATM 1727 CD LEU A 2 20.745 15.152 -6.839 1.00 0.04 C HETATM 1728 OE1 LEU A 2 20.510 16.346 -6.556 1.00 -0.57 O HETATM 1729 OE2 LEU A 2 21.256 14.799 -7.922 1.00 -0.57 O HETATM 1730 H104 LEU A 2 19.424 14.282 -5.403 1.00 0.04 H HETATM 1731 H105 LEU A 2 20.429 13.105 -6.315 1.00 0.04 H HETATM 1732 H102 LEU A 2 22.439 14.008 -5.107 1.00 0.03 H HETATM 1733 H103 LEU A 2 21.322 14.991 -4.101 1.00 0.03 H HETATM 1734 H101 LEU A 2 21.491 11.950 -4.257 1.00 0.08 H HETATM 1735 H100 LEU A 2 19.476 13.596 -2.768 1.00 0.19 H HETATM 1736 CB LEU A 2 17.009 13.101 -3.478 1.00 -0.00 C HETATM 1737 CG LEU A 2 16.761 13.118 -4.978 1.00 0.00 C HETATM 1738 CD LEU A 2 16.232 14.447 -5.475 1.00 0.04 C HETATM 1739 OE1 LEU A 2 15.100 14.816 -5.095 1.00 -0.57 O HETATM 1740 OE2 LEU A 2 16.943 15.132 -6.239 1.00 -0.57 O HETATM 1741 H98 LEU A 2 16.027 12.336 -5.221 1.00 0.04 H HETATM 1742 H99 LEU A 2 17.709 12.904 -5.493 1.00 0.04 H HETATM 1743 H96 LEU A 2 17.664 13.947 -3.224 1.00 0.03 H HETATM 1744 H97 LEU A 2 16.043 13.218 -2.964 1.00 0.03 H HETATM 1745 H95 LEU A 2 17.124 10.954 -3.404 1.00 0.08 H HETATM 1746 H94 LEU A 2 17.850 12.520 -0.976 1.00 0.19 H HETATM 1747 CB LEU A 2 18.282 10.437 1.343 1.00 -0.00 C HETATM 1748 CG LEU A 2 18.124 10.546 2.851 1.00 0.00 C HETATM 1749 CD LEU A 2 19.444 10.508 3.590 1.00 0.04 C HETATM 1750 OE1 LEU A 2 20.118 9.459 3.573 1.00 -0.57 O HETATM 1751 OE2 LEU A 2 19.803 11.524 4.218 1.00 -0.57 O HETATM 1752 H92 LEU A 2 17.503 9.707 3.200 1.00 0.04 H HETATM 1753 H93 LEU A 2 17.620 11.496 3.083 1.00 0.04 H HETATM 1754 H90 LEU A 2 19.033 11.170 1.014 1.00 0.03 H HETATM 1755 H91 LEU A 2 18.628 9.422 1.098 1.00 0.03 H HETATM 1756 H89 LEU A 2 16.664 11.734 0.822 1.00 0.08 H HETATM 1757 H88 LEU A 2 15.039 10.226 1.337 1.00 0.19 H HETATM 1758 CB LEU A 2 15.145 6.456 2.390 1.00 -0.00 C HETATM 1759 CG LEU A 2 15.371 5.255 1.479 1.00 0.00 C HETATM 1760 CD LEU A 2 15.646 3.960 2.237 1.00 0.04 C HETATM 1761 OE1 LEU A 2 14.707 3.390 2.845 1.00 -0.57 O HETATM 1762 OE2 LEU A 2 16.796 3.479 2.197 1.00 -0.57 O HETATM 1763 H86 LEU A 2 16.233 5.468 0.829 1.00 0.04 H HETATM 1764 H87 LEU A 2 14.472 5.113 0.861 1.00 0.04 H HETATM 1765 H84 LEU A 2 14.332 6.210 3.089 1.00 0.03 H HETATM 1766 H85 LEU A 2 16.071 6.639 2.954 1.00 0.03 H HETATM 1767 H83 LEU A 2 14.290 8.427 2.376 1.00 0.08 H HETATM 1768 H82 LEU A 2 13.736 6.556 0.223 1.00 0.19 H HETATM 1769 CB LEU A 2 10.612 8.542 -0.728 1.00 -0.00 C HETATM 1770 CG LEU A 2 10.415 9.974 -1.202 1.00 0.00 C HETATM 1771 CD LEU A 2 8.955 10.393 -1.147 1.00 0.04 C HETATM 1772 OE1 LEU A 2 8.078 9.599 -1.545 1.00 -0.57 O HETATM 1773 OE2 LEU A 2 8.672 11.532 -0.697 1.00 -0.57 O HETATM 1774 H80 LEU A 2 10.770 10.057 -2.240 1.00 0.04 H HETATM 1775 H81 LEU A 2 11.002 10.646 -0.559 1.00 0.04 H HETATM 1776 H78 LEU A 2 10.402 8.511 0.351 1.00 0.03 H HETATM 1777 H79 LEU A 2 9.889 7.907 -1.261 1.00 0.03 H HETATM 1778 H77 LEU A 2 12.379 8.265 -1.944 1.00 0.08 H HETATM 1779 H76 LEU A 2 11.746 6.078 -0.006 1.00 0.19 H HETATM 1780 CB LEU A 2 10.827 3.674 -2.667 1.00 0.02 C HETATM 1781 CG LEU A 2 10.394 2.295 -2.277 1.00 -0.04 C HETATM 1782 CD1 LEU A 2 11.252 1.223 -2.422 1.00 -0.06 C HETATM 1783 CE1 LEU A 2 10.862 -0.048 -2.055 1.00 -0.07 C HETATM 1784 CZ LEU A 2 9.601 -0.257 -1.536 1.00 -0.07 C HETATM 1785 CE2 LEU A 2 8.733 0.804 -1.386 1.00 -0.07 C HETATM 1786 CD2 LEU A 2 9.130 2.072 -1.755 1.00 -0.06 C HETATM 1787 H72 LEU A 2 8.445 2.904 -1.635 1.00 0.06 H HETATM 1788 H74 LEU A 2 7.741 0.642 -0.979 1.00 0.06 H HETATM 1789 H75 LEU A 2 9.293 -1.255 -1.246 1.00 0.06 H HETATM 1790 H73 LEU A 2 11.545 -0.881 -2.174 1.00 0.06 H HETATM 1791 H71 LEU A 2 12.244 1.382 -2.829 1.00 0.06 H HETATM 1792 H69 LEU A 2 11.267 3.634 -3.674 1.00 0.05 H HETATM 1793 H70 LEU A 2 9.945 4.331 -2.678 1.00 0.05 H HETATM 1794 H68 LEU A 2 12.818 3.741 -1.860 1.00 0.08 H HETATM 1795 H67 LEU A 2 10.499 4.316 -0.073 1.00 0.19 H HETATM 1796 CB LEU A 2 11.469 2.037 2.432 1.00 -0.01 C HETATM 1797 CG LEU A 2 10.039 1.772 2.121 1.00 -0.03 C HETATM 1798 CD LEU A 2 9.321 3.074 2.354 1.00 0.04 C HETATM 1799 H65 LEU A 2 8.492 3.197 1.642 1.00 0.05 H HETATM 1800 H66 LEU A 2 8.933 3.130 3.382 1.00 0.05 H HETATM 1801 H63 LEU A 2 9.641 0.991 2.785 1.00 0.03 H HETATM 1802 H64 LEU A 2 9.927 1.455 1.074 1.00 0.03 H HETATM 1803 H61 LEU A 2 11.661 1.915 3.508 1.00 0.03 H HETATM 1804 H62 LEU A 2 12.122 1.358 1.864 1.00 0.03 H HETATM 1805 H60 LEU A 2 12.409 3.987 2.676 1.00 0.08 H HETATM 1806 CB LEU A 2 8.283 6.700 0.959 1.00 0.08 C HETATM 1807 CG LEU A 2 8.128 5.844 -0.287 1.00 0.18 C HETATM 1808 OD1 LEU A 2 8.713 4.773 -0.406 1.00 -0.40 O HETATM 1809 ND2 LEU A 2 7.357 6.333 -1.244 1.00 -0.30 N HETATM 1810 H58 LEU A 2 7.217 5.814 -2.088 1.00 0.18 H HETATM 1811 H59 LEU A 2 6.914 7.221 -1.124 1.00 0.18 H HETATM 1812 H56 LEU A 2 9.042 7.471 0.759 1.00 0.06 H HETATM 1813 H57 LEU A 2 7.317 7.182 1.171 1.00 0.06 H HETATM 1814 H55 LEU A 2 8.050 5.038 2.313 1.00 0.08 H HETATM 1815 H54 LEU A 2 9.086 7.622 3.394 1.00 0.19 H HETATM 1816 CB LEU A 2 6.300 7.784 5.792 1.00 0.02 C HETATM 1817 CG LEU A 2 6.118 8.867 6.826 1.00 -0.05 C HETATM 1818 CD1 LEU A 2 6.040 8.560 8.177 1.00 -0.07 C HETATM 1819 CE1 LEU A 2 5.872 9.550 9.123 1.00 -0.04 C HETATM 1820 CZ LEU A 2 5.785 10.865 8.725 1.00 0.08 C HETATM 1821 CE2 LEU A 2 5.862 11.195 7.389 1.00 -0.04 C HETATM 1822 CD2 LEU A 2 6.027 10.198 6.448 1.00 -0.07 C HETATM 1823 H50 LEU A 2 6.086 10.460 5.398 1.00 0.05 H HETATM 1824 H52 LEU A 2 5.793 12.231 7.079 1.00 0.05 H HETATM 1825 OH LEU A 2 5.616 11.850 9.668 1.00 -0.34 O HETATM 1826 H53 LEU A 2 5.583 11.457 10.532 1.00 0.25 H HETATM 1827 H51 LEU A 2 5.809 9.294 10.174 1.00 0.05 H HETATM 1828 H49 LEU A 2 6.112 7.526 8.494 1.00 0.05 H HETATM 1829 H47 LEU A 2 5.794 6.875 6.148 1.00 0.05 H HETATM 1830 H48 LEU A 2 5.836 8.118 4.853 1.00 0.05 H HETATM 1831 H46 LEU A 2 8.213 7.032 6.430 1.00 0.08 H HETATM 1832 H45 LEU A 2 8.066 9.303 4.520 1.00 0.19 H HETATM 1833 CB LEU A 2 10.967 10.921 6.313 1.00 -0.01 C HETATM 1834 CG LEU A 2 10.143 12.162 6.512 1.00 -0.03 C HETATM 1835 CD LEU A 2 8.946 12.056 5.613 1.00 0.04 C HETATM 1836 H43 LEU A 2 8.079 11.651 6.155 1.00 0.05 H HETATM 1837 H44 LEU A 2 8.686 13.035 5.184 1.00 0.05 H HETATM 1838 H41 LEU A 2 10.734 13.052 6.248 1.00 0.03 H HETATM 1839 H42 LEU A 2 9.820 12.234 7.561 1.00 0.03 H HETATM 1840 H39 LEU A 2 12.014 11.190 6.109 1.00 0.03 H HETATM 1841 H40 LEU A 2 10.920 10.287 7.210 1.00 0.03 H HETATM 1842 H38 LEU A 2 11.139 9.962 4.357 1.00 0.08 H HETATM 1843 CB LEU A 2 6.835 11.763 2.138 1.00 -0.01 C HETATM 1844 CG LEU A 2 5.828 12.854 1.769 1.00 -0.04 C HETATM 1845 CD LEU A 2 5.282 13.564 3.004 1.00 -0.01 C HETATM 1846 CE LEU A 2 4.159 14.542 2.661 1.00 -0.04 C HETATM 1847 NZ LEU A 2 4.639 15.702 1.862 1.00 0.22 N HETATM 1848 H35 LEU A 2 3.865 16.316 1.662 1.00 0.20 H HETATM 1849 H36 LEU A 2 5.038 15.372 0.997 1.00 0.20 H HETATM 1850 H37 LEU A 2 5.339 16.204 2.385 1.00 0.20 H HETATM 1851 H33 LEU A 2 3.719 14.916 3.597 1.00 0.08 H HETATM 1852 H34 LEU A 2 3.391 14.008 2.082 1.00 0.08 H HETATM 1853 H31 LEU A 2 6.101 14.120 3.484 1.00 0.03 H HETATM 1854 H32 LEU A 2 4.893 12.809 3.703 1.00 0.03 H HETATM 1855 H29 LEU A 2 4.990 12.395 1.223 1.00 0.03 H HETATM 1856 H30 LEU A 2 6.325 13.594 1.124 1.00 0.03 H HETATM 1857 H27 LEU A 2 6.335 11.040 2.799 1.00 0.03 H HETATM 1858 H28 LEU A 2 7.152 11.258 1.214 1.00 0.03 H HETATM 1859 H26 LEU A 2 7.765 12.833 3.754 1.00 0.08 H HETATM 1860 H25 LEU A 2 8.760 13.095 1.003 1.00 0.19 H HETATM 1861 CB LEU A 2 11.594 15.468 1.825 1.00 0.08 C HETATM 1862 OG LEU A 2 12.089 16.550 1.049 1.00 -0.39 O HETATM 1863 H24 LEU A 2 13.003 16.698 1.261 1.00 0.21 H HETATM 1864 H22 LEU A 2 12.181 14.566 1.600 1.00 0.06 H HETATM 1865 H23 LEU A 2 11.696 15.714 2.892 1.00 0.06 H HETATM 1866 H21 LEU A 2 10.042 14.790 0.494 1.00 0.08 H HETATM 1867 H20 LEU A 2 9.761 17.231 2.033 1.00 0.19 H HETATM 1868 CB LEU A 2 7.517 18.795 0.308 1.00 -0.00 C HETATM 1869 CG LEU A 2 6.453 19.874 0.367 1.00 0.00 C HETATM 1870 CD LEU A 2 5.064 19.282 0.487 1.00 0.04 C HETATM 1871 OE1 LEU A 2 4.569 18.708 -0.501 1.00 -0.57 O HETATM 1872 OE2 LEU A 2 4.445 19.423 1.561 1.00 -0.57 O HETATM 1873 H18 LEU A 2 6.505 20.478 -0.551 1.00 0.04 H HETATM 1874 H19 LEU A 2 6.644 20.516 1.240 1.00 0.04 H HETATM 1875 H16 LEU A 2 7.452 18.286 -0.665 1.00 0.03 H HETATM 1876 H17 LEU A 2 8.506 19.266 0.410 1.00 0.03 H HETATM 1877 H15 LEU A 2 6.283 17.491 1.461 1.00 0.08 H HETATM 1878 H14 LEU A 2 8.412 19.036 2.759 1.00 0.19 H HETATM 1879 CB LEU A 2 6.324 19.301 5.716 1.00 0.01 C HETATM 1880 CG LEU A 2 5.613 20.288 4.778 1.00 -0.04 C HETATM 1881 CD1 LEU A 2 4.267 20.670 5.364 1.00 -0.06 C HETATM 1882 H8 LEU A 2 3.761 21.377 4.690 1.00 0.02 H HETATM 1883 H9 LEU A 2 4.415 21.143 6.346 1.00 0.02 H HETATM 1884 H10 LEU A 2 3.649 19.768 5.481 1.00 0.02 H HETATM 1885 CD2 LEU A 2 6.450 21.541 4.547 1.00 -0.06 C HETATM 1886 H11 LEU A 2 7.424 21.258 4.122 1.00 0.02 H HETATM 1887 H12 LEU A 2 6.604 22.061 5.504 1.00 0.02 H HETATM 1888 H13 LEU A 2 5.925 22.209 3.848 1.00 0.02 H HETATM 1889 H7 LEU A 2 5.451 19.794 3.809 1.00 0.03 H HETATM 1890 H5 LEU A 2 6.666 19.864 6.597 1.00 0.03 H HETATM 1891 H6 LEU A 2 5.588 18.545 6.027 1.00 0.03 H HETATM 1892 H4 LEU A 2 7.848 17.784 5.848 1.00 0.11 H HETATM 1893 H1 LEU A 2 8.917 19.916 5.814 1.00 0.20 H HETATM 1894 H2 LEU A 2 8.424 20.194 4.268 1.00 0.20 H HETATM 1895 H3 LEU A 2 9.473 18.967 4.589 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 934 933 1655 CONECT 996 995 1655 CONECT 1012 1011 1655 CONECT 1093 1092 1655 CONECT 1655 934 996 1012 1093 CONECT 1656 1657 1893 1894 1895 CONECT 1657 1656 1658 1879 1892 CONECT 1658 1657 1659 1660 CONECT 1659 1658 CONECT 1660 1658 1661 1878 CONECT 1661 1660 1662 1868 1877 CONECT 1662 1661 1663 1664 CONECT 1663 1662 CONECT 1664 1662 1665 1867 CONECT 1665 1664 1666 1861 1866 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1860 CONECT 1669 1668 1670 1843 1859 CONECT 1670 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 1673 1835 CONECT 1673 1672 1674 1833 1842 CONECT 1674 1673 1675 1676 CONECT 1675 1674 CONECT 1676 1674 1677 1832 CONECT 1677 1676 1678 1816 1831 CONECT 1678 1677 1679 1680 CONECT 1679 1678 CONECT 1680 1678 1681 1815 CONECT 1681 1680 1682 1806 1814 CONECT 1682 1681 1683 1684 CONECT 1683 1682 CONECT 1684 1682 1685 1798 CONECT 1685 1684 1686 1796 1805 CONECT 1686 1685 1687 1688 CONECT 1687 1686 CONECT 1688 1686 1689 1795 CONECT 1689 1688 1690 1780 1794 CONECT 1690 1689 1691 1692 CONECT 1691 1690 CONECT 1692 1690 1693 1779 CONECT 1693 1692 1694 1769 1778 CONECT 1694 1693 1695 1696 CONECT 1695 1694 CONECT 1696 1694 1697 1768 CONECT 1697 1696 1698 1758 1767 CONECT 1698 1697 1699 1700 CONECT 1699 1698 CONECT 1700 1698 1701 1757 CONECT 1701 1700 1702 1747 1756 CONECT 1702 1701 1703 1704 CONECT 1703 1702 CONECT 1704 1702 1705 1746 CONECT 1705 1704 1706 1736 1745 CONECT 1706 1705 1707 1708 CONECT 1707 1706 CONECT 1708 1706 1709 1735 CONECT 1709 1708 1710 1725 1734 CONECT 1710 1709 1711 1712 CONECT 1711 1710 CONECT 1712 1710 1713 1724 CONECT 1713 1712 1714 1717 1723 CONECT 1714 1713 1715 1716 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1713 1718 1721 1722 CONECT 1718 1717 1719 1720 CONECT 1719 1718 CONECT 1720 1718 CONECT 1721 1717 CONECT 1722 1717 CONECT 1723 1713 CONECT 1724 1712 CONECT 1725 1709 1726 1732 1733 CONECT 1726 1725 1727 1730 1731 CONECT 1727 1726 1728 1729 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1726 CONECT 1731 1726 CONECT 1732 1725 CONECT 1733 1725 CONECT 1734 1709 CONECT 1735 1708 CONECT 1736 1705 1737 1743 1744 CONECT 1737 1736 1738 1741 1742 CONECT 1738 1737 1739 1740 CONECT 1739 1738 CONECT 1740 1738 CONECT 1741 1737 CONECT 1742 1737 CONECT 1743 1736 CONECT 1744 1736 CONECT 1745 1705 CONECT 1746 1704 CONECT 1747 1701 1748 1754 1755 CONECT 1748 1747 1749 1752 1753 CONECT 1749 1748 1750 1751 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1748 CONECT 1753 1748 CONECT 1754 1747 CONECT 1755 1747 CONECT 1756 1701 CONECT 1757 1700 CONECT 1758 1697 1759 1765 1766 CONECT 1759 1758 1760 1763 1764 CONECT 1760 1759 1761 1762 CONECT 1761 1760 CONECT 1762 1760 CONECT 1763 1759 CONECT 1764 1759 CONECT 1765 1758 CONECT 1766 1758 CONECT 1767 1697 CONECT 1768 1696 CONECT 1769 1693 1770 1776 1777 CONECT 1770 1769 1771 1774 1775 CONECT 1771 1770 1772 1773 CONECT 1772 1771 CONECT 1773 1771 CONECT 1774 1770 CONECT 1775 1770 CONECT 1776 1769 CONECT 1777 1769 CONECT 1778 1693 CONECT 1779 1692 CONECT 1780 1689 1781 1792 1793 CONECT 1781 1780 1782 1786 CONECT 1782 1781 1783 1791 CONECT 1783 1782 1784 1790 CONECT 1784 1783 1785 1789 CONECT 1785 1784 1786 1788 CONECT 1786 1781 1785 1787 CONECT 1787 1786 CONECT 1788 1785 CONECT 1789 1784 CONECT 1790 1783 CONECT 1791 1782 CONECT 1792 1780 CONECT 1793 1780 CONECT 1794 1689 CONECT 1795 1688 CONECT 1796 1685 1797 1803 1804 CONECT 1797 1796 1798 1801 1802 CONECT 1798 1684 1797 1799 1800 CONECT 1799 1798 CONECT 1800 1798 CONECT 1801 1797 CONECT 1802 1797 CONECT 1803 1796 CONECT 1804 1796 CONECT 1805 1685 CONECT 1806 1681 1807 1812 1813 CONECT 1807 1806 1808 1809 CONECT 1808 1807 CONECT 1809 1807 1810 1811 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1806 CONECT 1813 1806 CONECT 1814 1681 CONECT 1815 1680 CONECT 1816 1677 1817 1829 1830 CONECT 1817 1816 1818 1822 CONECT 1818 1817 1819 1828 CONECT 1819 1818 1820 1827 CONECT 1820 1819 1821 1825 CONECT 1821 1820 1822 1824 CONECT 1822 1817 1821 1823 CONECT 1823 1822 CONECT 1824 1821 CONECT 1825 1820 1826 CONECT 1826 1825 CONECT 1827 1819 CONECT 1828 1818 CONECT 1829 1816 CONECT 1830 1816 CONECT 1831 1677 CONECT 1832 1676 CONECT 1833 1673 1834 1840 1841 CONECT 1834 1833 1835 1838 1839 CONECT 1835 1672 1834 1836 1837 CONECT 1836 1835 CONECT 1837 1835 CONECT 1838 1834 CONECT 1839 1834 CONECT 1840 1833 CONECT 1841 1833 CONECT 1842 1673 CONECT 1843 1669 1844 1857 1858 CONECT 1844 1843 1845 1855 1856 CONECT 1845 1844 1846 1853 1854 CONECT 1846 1845 1847 1851 1852 CONECT 1847 1846 1848 1849 1850 CONECT 1848 1847 CONECT 1849 1847 CONECT 1850 1847 CONECT 1851 1846 CONECT 1852 1846 CONECT 1853 1845 CONECT 1854 1845 CONECT 1855 1844 CONECT 1856 1844 CONECT 1857 1843 CONECT 1858 1843 CONECT 1859 1669 CONECT 1860 1668 CONECT 1861 1665 1862 1864 1865 CONECT 1862 1861 1863 CONECT 1863 1862 CONECT 1864 1861 CONECT 1865 1861 CONECT 1866 1665 CONECT 1867 1664 CONECT 1868 1661 1869 1875 1876 CONECT 1869 1868 1870 1873 1874 CONECT 1870 1869 1871 1872 CONECT 1871 1870 CONECT 1872 1870 CONECT 1873 1869 CONECT 1874 1869 CONECT 1875 1868 CONECT 1876 1868 CONECT 1877 1661 CONECT 1878 1660 CONECT 1879 1657 1880 1890 1891 CONECT 1880 1879 1881 1885 1889 CONECT 1881 1880 1882 1883 1884 CONECT 1882 1881 CONECT 1883 1881 CONECT 1884 1881 CONECT 1885 1880 1886 1887 1888 CONECT 1886 1885 CONECT 1887 1885 CONECT 1888 1885 CONECT 1889 1880 CONECT 1890 1879 CONECT 1891 1879 CONECT 1892 1657 CONECT 1893 1656 CONECT 1894 1656 CONECT 1895 1656 MASTER 0 0 0 0 0 0 0 0 1894 1 249 9 END
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6f0y
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6q9t
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6e5x
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6bnt
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PDBbind
15-mer
5zk9
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15-mer
5zjz
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5vtb
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6a5e
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Entry Information
PDB ID
2ksp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
C-terminal domain of EH domain-containing protein 1
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=57uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Biol.Chem. Vol. 285: pp. 8687-8694
Ligand Properties
Formula
C
8
1
H
1
1
7
N
1
7
O
3
3
Molecular Weight
1856.890
Exact Mass
1855.800
No. of atoms
248
No. of bonds
251
Polar Surface Area
827.05
LOGP Value
0.17 (
Computed with XLOGP3
)
-3.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 33
No. of Rotatable Bonds: 68
No. of Nitrogen and Oxygen Atoms: 50
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)CC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])CCC(=O)O)CO
InChI String
InChI=1S/C81H115N17O33/c1-40(2)34-44(83)67(116)85-45(19-25-60(102)103)73(122)96-56(39-99)76(125)91-51(12-6-7-31-82)79(128)97-32-8-13-57(97)77(126)93-53(36-42-15-17-43(100)18-16-42)75(124)94-54(37-59(84)101)80(129)98-33-9-14-58(98)78(127)92-52(35-41-10-4-3-5-11-41)74(123)90-49(23-29-64(110)111)71(120)88-47(21-27-62(106)107)69(118)86-46(20-26-61(104)105)68(117)87-48(22-28-63(108)109)70(119)89-50(24-30-65(112)113)72(121)95-55(81(130)131)38-66(114)115/h3-5,10-11,15-18,40,44-58,99-100H,6-9,12-14,19-39,82-83H2,1-2H3,(H2,84,101)(H,85,116)(H,86,118)(H,87,117)(H,88,120)(H,89,119)(H,90,123)(H,91,125)(H,92,127)(H,93,126)(H,94,124)(H,95,121)(H,96,122)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,130,131)/p+2/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8N3F8
Q9H4M9
Entrez Gene ID
NCBI Entrez Gene ID:
85377
10938
ASD
Information of known allosteric effects of PDB entries
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