Browse entries in the PDBbind-CN Database
HEADER 5HZ8_COMPLEX COMPND 5HZ8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP LYS SEQRES 2 A 135 LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS GLU SEQRES 3 A 135 LEU GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY MET SEQRES 4 A 135 ALA LYS PRO ASN THR ILE ILE SER VAL ASN GLY ASP VAL SEQRES 5 A 135 ILE THR LEU LYS THR GLU SER THR PHE LYS ASN THR GLU SEQRES 6 A 135 ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL THR SEQRES 7 A 135 ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU ASP SEQRES 8 A 135 GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY LYS SEQRES 9 A 135 SER THR THR LEU LYS ARG LYS ARG GLU ASP ASP LYS LEU SEQRES 10 A 135 VAL LEU GLU LEU VAL MET LYS GLY VAL THR CYS THR ARG SEQRES 11 A 135 VAL TYR GLU ARG ALA HET UNN A 395 44 ATOM 1 N GLY A -2 5.914 -21.810 8.676 1.00 31.05 N ATOM 2 CA GLY A -2 7.337 -21.438 8.813 1.00 20.73 C ATOM 3 C GLY A -2 7.768 -20.460 7.747 1.00 21.29 C ATOM 4 O GLY A -2 7.138 -20.328 6.720 1.00 25.06 O ATOM 5 HN3 GLY A -2 5.760 -22.251 7.747 1.00 0.00 H ATOM 6 HN2 GLY A -2 5.325 -20.957 8.758 1.00 0.00 H ATOM 7 HN1 GLY A -2 5.659 -22.483 9.427 1.00 0.00 H ATOM 8 N SER A -1 8.871 -19.767 7.964 1.00 16.54 N ATOM 9 CA SER A -1 9.323 -18.715 7.038 1.00 15.63 C ATOM 10 C SER A -1 10.127 -19.339 5.913 1.00 14.33 C ATOM 11 O SER A -1 10.709 -20.411 6.077 1.00 15.99 O ATOM 12 CB SER A -1 10.201 -17.693 7.736 1.00 15.74 C ATOM 13 OG SER A -1 9.452 -16.959 8.688 1.00 16.54 O ATOM 14 HG SER A -1 10.041 -16.299 9.132 1.00 0.00 H ATOM 15 H SER A -1 9.436 -19.970 8.813 1.00 0.00 H ATOM 16 N HIS A 0 10.142 -18.633 4.745 1.00 14.70 N ATOM 17 CA HIS A 0 10.929 -19.042 3.576 1.00 15.25 C ATOM 18 C HIS A 0 11.572 -17.834 2.904 1.00 12.88 C ATOM 19 O HIS A 0 11.058 -16.690 3.043 1.00 15.44 O ATOM 20 CB HIS A 0 9.974 -19.715 2.556 1.00 14.92 C ATOM 21 CG HIS A 0 9.435 -21.030 3.015 1.00 16.31 C ATOM 22 ND1 HIS A 0 8.298 -21.122 3.789 1.00 18.55 N ATOM 23 CD2 HIS A 0 9.953 -22.281 2.937 1.00 20.21 C ATOM 24 CE1 HIS A 0 8.100 -22.389 4.096 1.00 17.33 C ATOM 25 NE2 HIS A 0 9.073 -23.107 3.584 1.00 21.57 N ATOM 26 H HIS A 0 9.570 -17.767 4.681 1.00 0.00 H ATOM 27 N MET A 1 12.598 -18.047 2.107 1.00 14.30 N ATOM 28 CA MET A 1 13.231 -17.008 1.359 1.00 14.22 C ATOM 29 C MET A 1 12.283 -16.177 0.500 1.00 14.15 C ATOM 30 O MET A 1 12.413 -14.930 0.412 1.00 16.21 O ATOM 31 CB MET A 1 14.311 -17.571 0.527 1.00 14.94 C ATOM 32 CG MET A 1 15.127 -16.522 -0.232 1.00 15.24 C ATOM 33 SD MET A 1 16.069 -15.353 0.757 1.00 16.46 S ATOM 34 CE MET A 1 17.387 -16.416 1.109 1.00 20.82 C ATOM 35 H MET A 1 12.964 -19.016 2.018 1.00 0.00 H ATOM 36 N CYS A 2 11.288 -16.829 -0.128 1.00 14.72 N ATOM 37 CA CYS A 2 10.349 -16.155 -1.010 1.00 14.14 C ATOM 38 C CYS A 2 9.424 -15.224 -0.279 1.00 12.68 C ATOM 39 O CYS A 2 8.731 -14.428 -0.932 1.00 13.42 O ATOM 40 CB CYS A 2 9.523 -17.152 -1.784 1.00 15.61 C ATOM 41 SG CYS A 2 10.400 -17.719 -3.129 1.00 22.05 S ATOM 42 H CYS A 2 11.187 -17.853 0.023 1.00 0.00 H ATOM 43 N ASP A 3 9.424 -15.240 1.052 1.00 13.36 N ATOM 44 CA ASP A 3 8.543 -14.426 1.807 1.00 12.98 C ATOM 45 C ASP A 3 8.636 -12.930 1.478 1.00 12.74 C ATOM 46 O ASP A 3 7.640 -12.241 1.488 1.00 13.98 O ATOM 47 CB ASP A 3 8.703 -14.596 3.334 1.00 13.32 C ATOM 48 CG ASP A 3 8.259 -15.960 3.849 1.00 15.53 C ATOM 49 OD1 ASP A 3 7.600 -16.724 3.094 1.00 18.05 O ATOM 50 OD2 ASP A 3 8.557 -16.215 5.048 1.00 16.96 O ATOM 51 H ASP A 3 10.088 -15.866 1.551 1.00 0.00 H ATOM 52 N ALA A 4 9.807 -12.416 1.196 1.00 14.75 N ATOM 53 CA ALA A 4 9.969 -10.987 0.936 1.00 15.78 C ATOM 54 C ALA A 4 9.305 -10.545 -0.350 1.00 14.05 C ATOM 55 O ALA A 4 9.091 -9.358 -0.520 1.00 15.25 O ATOM 56 CB ALA A 4 11.410 -10.562 0.929 1.00 19.50 C ATOM 57 H ALA A 4 10.640 -13.038 1.156 1.00 0.00 H ATOM 58 N PHE A 5 8.955 -11.486 -1.238 1.00 12.51 N ATOM 59 CA PHE A 5 8.230 -11.163 -2.454 1.00 11.54 C ATOM 60 C PHE A 5 6.747 -11.180 -2.324 1.00 10.97 C ATOM 61 O PHE A 5 6.058 -10.644 -3.168 1.00 11.09 O ATOM 62 CB PHE A 5 8.696 -12.124 -3.608 1.00 11.96 C ATOM 63 CG PHE A 5 10.164 -11.995 -3.969 1.00 11.79 C ATOM 64 CD1 PHE A 5 10.543 -10.970 -4.779 1.00 12.37 C ATOM 65 CD2 PHE A 5 11.095 -12.905 -3.528 1.00 13.87 C ATOM 66 CE1 PHE A 5 11.837 -10.813 -5.125 1.00 12.78 C ATOM 67 CE2 PHE A 5 12.389 -12.767 -3.908 1.00 15.95 C ATOM 68 CZ PHE A 5 12.794 -11.704 -4.675 1.00 13.43 C ATOM 69 H PHE A 5 9.210 -12.477 -1.051 1.00 0.00 H ATOM 70 N VAL A 6 6.234 -11.880 -1.323 1.00 10.64 N ATOM 71 CA VAL A 6 4.823 -12.054 -1.197 1.00 10.90 C ATOM 72 C VAL A 6 4.146 -10.743 -0.922 1.00 11.12 C ATOM 73 O VAL A 6 4.553 -9.987 -0.038 1.00 14.20 O ATOM 74 CB VAL A 6 4.511 -13.133 -0.116 1.00 11.55 C ATOM 75 CG1 VAL A 6 3.045 -13.218 0.227 1.00 13.10 C ATOM 76 CG2 VAL A 6 5.021 -14.507 -0.575 1.00 12.25 C ATOM 77 H VAL A 6 6.868 -12.309 -0.619 1.00 0.00 H ATOM 78 N GLY A 7 3.061 -10.489 -1.607 1.00 11.63 N ATOM 79 CA GLY A 7 2.342 -9.264 -1.422 1.00 13.23 C ATOM 80 C GLY A 7 1.709 -8.785 -2.700 1.00 11.68 C ATOM 81 O GLY A 7 1.701 -9.469 -3.723 1.00 12.11 O ATOM 82 H GLY A 7 2.715 -11.187 -2.296 1.00 0.00 H ATOM 83 N THR A 8 1.195 -7.577 -2.637 1.00 11.64 N ATOM 84 CA THR A 8 0.562 -6.930 -3.749 1.00 11.05 C ATOM 85 C THR A 8 1.437 -5.743 -4.174 1.00 10.87 C ATOM 86 O THR A 8 1.776 -4.925 -3.357 1.00 13.15 O ATOM 87 CB THR A 8 -0.796 -6.430 -3.354 1.00 12.52 C ATOM 88 OG1 THR A 8 -1.534 -7.535 -2.786 1.00 16.07 O ATOM 89 CG2 THR A 8 -1.470 -5.862 -4.486 1.00 14.72 C ATOM 90 HG1 THR A 8 -2.435 -7.225 -2.518 1.00 0.00 H ATOM 91 H THR A 8 1.250 -7.064 -1.734 1.00 0.00 H ATOM 92 N TRP A 9 1.773 -5.702 -5.464 1.00 10.22 N ATOM 93 CA TRP A 9 2.810 -4.820 -6.022 1.00 10.42 C ATOM 94 C TRP A 9 2.209 -4.080 -7.205 1.00 11.93 C ATOM 95 O TRP A 9 1.610 -4.676 -8.100 1.00 14.64 O ATOM 96 CB TRP A 9 4.008 -5.621 -6.483 1.00 11.33 C ATOM 97 CG TRP A 9 4.677 -6.334 -5.380 1.00 10.33 C ATOM 98 CD1 TRP A 9 4.539 -7.661 -5.064 1.00 11.61 C ATOM 99 CD2 TRP A 9 5.666 -5.807 -4.469 1.00 10.10 C ATOM 100 NE1 TRP A 9 5.295 -7.972 -3.994 1.00 12.45 N ATOM 101 CE2 TRP A 9 5.988 -6.865 -3.597 1.00 10.87 C ATOM 102 CE3 TRP A 9 6.176 -4.544 -4.242 1.00 10.31 C ATOM 103 CZ2 TRP A 9 6.905 -6.693 -2.589 1.00 11.86 C ATOM 104 CZ3 TRP A 9 7.091 -4.369 -3.236 1.00 10.45 C ATOM 105 CH2 TRP A 9 7.451 -5.433 -2.406 1.00 11.47 C ATOM 106 HE1 TRP A 9 5.343 -8.907 -3.542 1.00 0.00 H ATOM 107 H TRP A 9 1.269 -6.335 -6.118 1.00 0.00 H ATOM 108 N LYS A 10 2.391 -2.778 -7.229 1.00 10.25 N ATOM 109 CA LYS A 10 1.878 -1.919 -8.279 1.00 10.17 C ATOM 110 C LYS A 10 3.078 -1.306 -9.014 1.00 9.64 C ATOM 111 O LYS A 10 4.035 -0.787 -8.399 1.00 9.98 O ATOM 112 CB LYS A 10 1.062 -0.800 -7.661 1.00 12.80 C ATOM 113 CG LYS A 10 0.394 0.136 -8.634 1.00 17.17 C ATOM 114 CD LYS A 10 -0.729 -0.552 -9.363 1.00 20.24 C ATOM 115 CE LYS A 10 -1.497 0.413 -10.214 1.00 21.21 C ATOM 116 NZ LYS A 10 -2.692 -0.184 -10.829 1.00 23.84 N ATOM 117 HZ1 LYS A 10 -2.408 -0.981 -11.434 1.00 0.00 H ATOM 118 HZ2 LYS A 10 -3.331 -0.524 -10.083 1.00 0.00 H ATOM 119 HZ3 LYS A 10 -3.179 0.533 -11.404 1.00 0.00 H ATOM 120 H LYS A 10 2.931 -2.341 -6.455 1.00 0.00 H ATOM 121 N LEU A 11 3.023 -1.300 -10.358 1.00 9.86 N ATOM 122 CA LEU A 11 4.097 -0.676 -11.136 1.00 9.71 C ATOM 123 C LEU A 11 4.134 0.808 -10.884 1.00 9.92 C ATOM 124 O LEU A 11 3.093 1.463 -10.996 1.00 12.00 O ATOM 125 CB LEU A 11 3.849 -0.926 -12.636 1.00 10.59 C ATOM 126 CG LEU A 11 4.975 -0.435 -13.533 1.00 10.48 C ATOM 127 CD1 LEU A 11 6.270 -1.175 -13.396 1.00 11.87 C ATOM 128 CD2 LEU A 11 4.506 -0.484 -15.014 1.00 12.53 C ATOM 129 H LEU A 11 2.217 -1.739 -10.846 1.00 0.00 H ATOM 130 N VAL A 12 5.339 1.359 -10.608 1.00 10.43 N ATOM 131 CA VAL A 12 5.513 2.778 -10.462 1.00 12.53 C ATOM 132 C VAL A 12 6.334 3.373 -11.570 1.00 13.42 C ATOM 133 O VAL A 12 6.126 4.528 -11.863 1.00 19.07 O ATOM 134 CB VAL A 12 6.018 3.197 -9.065 1.00 14.58 C ATOM 135 CG1 VAL A 12 4.949 2.822 -8.018 1.00 17.11 C ATOM 136 CG2 VAL A 12 7.278 2.658 -8.624 1.00 16.49 C ATOM 137 H VAL A 12 6.165 0.736 -10.498 1.00 0.00 H ATOM 138 N SER A 13 7.305 2.680 -12.125 1.00 12.57 N ATOM 139 CA SER A 13 8.169 3.267 -13.151 1.00 13.27 C ATOM 140 C SER A 13 8.777 2.197 -13.995 1.00 11.41 C ATOM 141 O SER A 13 8.883 1.043 -13.580 1.00 10.45 O ATOM 142 CB SER A 13 9.280 4.103 -12.543 1.00 15.67 C ATOM 143 OG SER A 13 10.213 3.314 -11.858 1.00 17.51 O ATOM 144 HG SER A 13 10.919 3.895 -11.478 1.00 0.00 H ATOM 145 H SER A 13 7.462 1.695 -11.829 1.00 0.00 H ATOM 146 N SER A 14 9.171 2.592 -15.187 1.00 12.04 N ATOM 147 CA SER A 14 9.809 1.730 -16.169 1.00 11.65 C ATOM 148 C SER A 14 10.952 2.469 -16.860 1.00 10.69 C ATOM 149 O SER A 14 10.837 3.676 -17.080 1.00 13.45 O ATOM 150 CB SER A 14 8.803 1.269 -17.233 1.00 15.50 C ATOM 151 OG SER A 14 7.713 0.609 -16.748 1.00 17.30 O ATOM 152 HG SER A 14 7.219 1.202 -16.128 1.00 0.00 H ATOM 153 H SER A 14 9.016 3.588 -15.444 1.00 0.00 H ATOM 154 N GLU A 15 12.003 1.746 -17.213 1.00 10.20 N ATOM 155 CA GLU A 15 13.113 2.253 -17.970 1.00 10.19 C ATOM 156 C GLU A 15 13.392 1.264 -19.103 1.00 9.82 C ATOM 157 O GLU A 15 13.600 0.086 -18.845 1.00 10.79 O ATOM 158 CB GLU A 15 14.363 2.368 -17.048 1.00 11.84 C ATOM 159 CG GLU A 15 15.536 2.956 -17.605 1.00 13.67 C ATOM 160 CD GLU A 15 16.641 2.975 -16.550 1.00 14.72 C ATOM 161 OE1 GLU A 15 17.196 1.861 -16.326 1.00 18.72 O ATOM 162 OE2 GLU A 15 17.053 4.021 -16.075 1.00 16.10 O ATOM 163 H GLU A 15 12.026 0.747 -16.924 1.00 0.00 H ATOM 164 N ASN A 16 13.420 1.753 -20.334 1.00 10.60 N ATOM 165 CA ASN A 16 13.793 0.971 -21.535 1.00 10.64 C ATOM 166 C ASN A 16 12.724 -0.096 -21.884 1.00 9.91 C ATOM 167 O ASN A 16 13.067 -1.056 -22.580 1.00 10.79 O ATOM 168 CB ASN A 16 15.208 0.356 -21.472 1.00 11.53 C ATOM 169 CG ASN A 16 16.281 1.334 -21.108 1.00 12.87 C ATOM 170 OD1 ASN A 16 16.232 2.482 -21.572 1.00 14.05 O ATOM 171 ND2 ASN A 16 17.250 0.920 -20.300 1.00 15.38 N ATOM 172 HD22 ASN A 16 17.244 -0.055 -19.938 1.00 0.00 H ATOM 173 HD21 ASN A 16 18.015 1.571 -20.029 1.00 0.00 H ATOM 174 H ASN A 16 13.163 2.752 -20.466 1.00 0.00 H ATOM 175 N PHE A 17 11.496 0.028 -21.406 1.00 9.64 N ATOM 176 CA PHE A 17 10.486 -0.987 -21.698 1.00 9.25 C ATOM 177 C PHE A 17 10.139 -1.074 -23.174 1.00 9.75 C ATOM 178 O PHE A 17 9.945 -2.168 -23.699 1.00 9.34 O ATOM 179 CB PHE A 17 9.269 -0.806 -20.793 1.00 10.02 C ATOM 180 CG PHE A 17 8.208 -1.925 -20.858 1.00 9.69 C ATOM 181 CD1 PHE A 17 8.555 -3.225 -20.666 1.00 10.28 C ATOM 182 CD2 PHE A 17 6.904 -1.585 -21.054 1.00 10.39 C ATOM 183 CE1 PHE A 17 7.544 -4.209 -20.680 1.00 11.20 C ATOM 184 CE2 PHE A 17 5.923 -2.557 -21.080 1.00 11.38 C ATOM 185 CZ PHE A 17 6.237 -3.842 -20.895 1.00 11.59 C ATOM 186 H PHE A 17 11.249 0.851 -20.820 1.00 0.00 H ATOM 187 N ASP A 18 10.009 0.075 -23.835 1.00 10.23 N ATOM 188 CA ASP A 18 9.719 0.044 -25.272 1.00 9.77 C ATOM 189 C ASP A 18 10.864 -0.679 -26.027 1.00 10.14 C ATOM 190 O ASP A 18 10.550 -1.522 -26.876 1.00 11.23 O ATOM 191 CB ASP A 18 9.523 1.464 -25.789 1.00 11.06 C ATOM 192 CG ASP A 18 9.059 1.474 -27.216 1.00 12.90 C ATOM 193 OD1 ASP A 18 8.030 0.952 -27.522 1.00 13.29 O ATOM 194 OD2 ASP A 18 9.811 1.991 -28.059 1.00 18.76 O ATOM 195 H ASP A 18 10.112 0.983 -23.338 1.00 0.00 H ATOM 196 N ASP A 19 12.117 -0.374 -25.714 1.00 11.19 N ATOM 197 CA ASP A 19 13.228 -1.043 -26.350 1.00 11.28 C ATOM 198 C ASP A 19 13.167 -2.556 -26.121 1.00 10.67 C ATOM 199 O ASP A 19 13.436 -3.337 -27.039 1.00 11.18 O ATOM 200 CB ASP A 19 14.587 -0.568 -25.756 1.00 13.87 C ATOM 201 CG ASP A 19 14.975 0.848 -26.099 1.00 18.50 C ATOM 202 OD1 ASP A 19 14.412 1.330 -27.162 1.00 21.53 O ATOM 203 OD2 ASP A 19 15.864 1.391 -25.357 1.00 24.37 O ATOM 204 H ASP A 19 12.302 0.358 -24.999 1.00 0.00 H ATOM 205 N TYR A 20 12.908 -2.968 -24.886 1.00 9.30 N ATOM 206 CA TYR A 20 12.816 -4.348 -24.564 1.00 9.03 C ATOM 207 C TYR A 20 11.704 -5.058 -25.371 1.00 9.01 C ATOM 208 O TYR A 20 11.921 -6.108 -25.951 1.00 9.35 O ATOM 209 CB TYR A 20 12.620 -4.513 -23.044 1.00 9.35 C ATOM 210 CG TYR A 20 12.398 -5.929 -22.577 1.00 9.04 C ATOM 211 CD1 TYR A 20 13.479 -6.816 -22.451 1.00 8.91 C ATOM 212 CD2 TYR A 20 11.111 -6.391 -22.296 1.00 9.67 C ATOM 213 CE1 TYR A 20 13.280 -8.092 -22.112 1.00 9.32 C ATOM 214 CE2 TYR A 20 10.910 -7.716 -21.934 1.00 10.13 C ATOM 215 CZ TYR A 20 12.013 -8.569 -21.858 1.00 9.48 C ATOM 216 OH TYR A 20 11.742 -9.852 -21.493 1.00 10.58 O ATOM 217 HH TYR A 20 12.584 -10.372 -21.469 1.00 0.00 H ATOM 218 H TYR A 20 12.769 -2.262 -24.135 1.00 0.00 H ATOM 219 N MET A 21 10.524 -4.461 -25.396 1.00 9.29 N ATOM 220 CA MET A 21 9.425 -5.027 -26.187 1.00 9.16 C ATOM 221 C MET A 21 9.778 -5.103 -27.651 1.00 9.82 C ATOM 222 O MET A 21 9.435 -6.077 -28.315 1.00 9.87 O ATOM 223 CB MET A 21 8.130 -4.237 -25.975 1.00 9.28 C ATOM 224 CG MET A 21 7.493 -4.432 -24.647 1.00 9.55 C ATOM 225 SD MET A 21 5.834 -3.670 -24.556 1.00 10.69 S ATOM 226 CE MET A 21 6.249 -1.928 -24.540 1.00 10.72 C ATOM 227 H MET A 21 10.374 -3.587 -24.853 1.00 0.00 H ATOM 228 N LYS A 22 10.444 -4.081 -28.188 1.00 10.73 N ATOM 229 CA LYS A 22 10.827 -4.121 -29.572 1.00 12.05 C ATOM 230 C LYS A 22 11.753 -5.303 -29.836 1.00 11.49 C ATOM 231 O LYS A 22 11.637 -5.978 -30.859 1.00 13.30 O ATOM 232 CB LYS A 22 11.501 -2.803 -29.950 1.00 13.91 C ATOM 233 CG LYS A 22 11.249 -2.377 -31.318 1.00 14.88 C ATOM 234 CD LYS A 22 11.797 -0.920 -31.514 1.00 16.05 C ATOM 235 CE LYS A 22 11.106 0.403 -31.045 1.00 17.74 C ATOM 236 NZ LYS A 22 11.957 1.585 -31.573 1.00 19.84 N ATOM 237 HZ1 LYS A 22 12.919 1.519 -31.184 1.00 0.00 H ATOM 238 HZ2 LYS A 22 11.998 1.544 -32.611 1.00 0.00 H ATOM 239 HZ3 LYS A 22 11.523 2.483 -31.277 1.00 0.00 H ATOM 240 H LYS A 22 10.686 -3.255 -27.605 1.00 0.00 H ATOM 241 N GLU A 23 12.700 -5.544 -28.929 1.00 11.75 N ATOM 242 CA GLU A 23 13.638 -6.626 -29.052 1.00 12.63 C ATOM 243 C GLU A 23 12.918 -8.010 -29.091 1.00 12.03 C ATOM 244 O GLU A 23 13.393 -8.916 -29.704 1.00 13.94 O ATOM 245 CB GLU A 23 14.703 -6.489 -28.001 1.00 13.64 C ATOM 246 CG GLU A 23 16.015 -7.045 -28.358 1.00 16.27 C ATOM 247 CD GLU A 23 16.803 -6.309 -29.442 1.00 18.74 C ATOM 248 OE1 GLU A 23 16.428 -5.199 -29.841 1.00 22.30 O ATOM 249 OE2 GLU A 23 17.772 -6.864 -29.921 1.00 25.80 O ATOM 250 H GLU A 23 12.763 -4.923 -28.097 1.00 0.00 H ATOM 251 N LEU A 24 11.785 -8.103 -28.385 1.00 10.51 N ATOM 252 CA LEU A 24 10.944 -9.270 -28.389 1.00 11.05 C ATOM 253 C LEU A 24 10.076 -9.403 -29.590 1.00 11.31 C ATOM 254 O LEU A 24 9.338 -10.395 -29.703 1.00 13.29 O ATOM 255 CB LEU A 24 10.066 -9.307 -27.147 1.00 10.19 C ATOM 256 CG LEU A 24 10.753 -9.478 -25.816 1.00 11.08 C ATOM 257 CD1 LEU A 24 9.768 -9.249 -24.718 1.00 11.80 C ATOM 258 CD2 LEU A 24 11.401 -10.798 -25.679 1.00 12.77 C ATOM 259 H LEU A 24 11.498 -7.290 -27.804 1.00 0.00 H ATOM 260 N GLY A 25 10.036 -8.394 -30.463 1.00 11.09 N ATOM 261 CA GLY A 25 9.128 -8.432 -31.638 1.00 12.37 C ATOM 262 C GLY A 25 7.697 -7.965 -31.382 1.00 11.96 C ATOM 263 O GLY A 25 6.810 -8.253 -32.187 1.00 13.70 O ATOM 264 H GLY A 25 10.651 -7.568 -30.318 1.00 0.00 H ATOM 265 N VAL A 26 7.490 -7.167 -30.328 1.00 9.84 N ATOM 266 CA VAL A 26 6.160 -6.601 -30.069 1.00 9.62 C ATOM 267 C VAL A 26 5.870 -5.479 -31.047 1.00 9.72 C ATOM 268 O VAL A 26 6.692 -4.613 -31.248 1.00 10.06 O ATOM 269 CB VAL A 26 6.031 -6.153 -28.619 1.00 9.11 C ATOM 270 CG1 VAL A 26 4.635 -5.638 -28.315 1.00 10.07 C ATOM 271 CG2 VAL A 26 6.376 -7.260 -27.614 1.00 10.49 C ATOM 272 H VAL A 26 8.278 -6.946 -29.687 1.00 0.00 H ATOM 273 N GLY A 27 4.664 -5.508 -31.616 1.00 10.33 N ATOM 274 CA GLY A 27 4.252 -4.525 -32.614 1.00 10.85 C ATOM 275 C GLY A 27 3.945 -3.189 -32.021 1.00 10.37 C ATOM 276 O GLY A 27 3.692 -3.041 -30.830 1.00 10.47 O ATOM 277 H GLY A 27 3.995 -6.255 -31.340 1.00 0.00 H ATOM 278 N PHE A 28 3.946 -2.167 -32.887 1.00 10.61 N ATOM 279 CA PHE A 28 3.742 -0.778 -32.477 1.00 10.05 C ATOM 280 C PHE A 28 2.568 -0.574 -31.539 1.00 9.21 C ATOM 281 O PHE A 28 2.732 0.049 -30.480 1.00 10.09 O ATOM 282 CB PHE A 28 3.596 0.088 -33.741 1.00 11.48 C ATOM 283 CG PHE A 28 3.223 1.535 -33.425 1.00 12.31 C ATOM 284 CD1 PHE A 28 4.201 2.474 -33.190 1.00 14.49 C ATOM 285 CD2 PHE A 28 1.947 1.937 -33.353 1.00 14.72 C ATOM 286 CE1 PHE A 28 3.876 3.786 -32.893 1.00 15.27 C ATOM 287 CE2 PHE A 28 1.628 3.279 -33.061 1.00 14.90 C ATOM 288 CZ PHE A 28 2.568 4.140 -32.805 1.00 15.29 C ATOM 289 H PHE A 28 4.099 -2.370 -33.895 1.00 0.00 H ATOM 290 N ALA A 29 1.386 -0.981 -31.936 1.00 8.91 N ATOM 291 CA ALA A 29 0.179 -0.627 -31.163 1.00 8.86 C ATOM 292 C ALA A 29 0.230 -1.303 -29.805 1.00 8.98 C ATOM 293 O ALA A 29 -0.144 -0.706 -28.805 1.00 9.78 O ATOM 294 CB ALA A 29 -1.046 -0.959 -31.895 1.00 10.85 C ATOM 295 H ALA A 29 1.299 -1.555 -32.799 1.00 0.00 H ATOM 296 N THR A 30 0.641 -2.579 -29.756 1.00 9.43 N ATOM 297 CA THR A 30 0.736 -3.265 -28.502 1.00 9.30 C ATOM 298 C THR A 30 1.761 -2.580 -27.604 1.00 8.58 C ATOM 299 O THR A 30 1.553 -2.466 -26.388 1.00 8.99 O ATOM 300 CB THR A 30 1.035 -4.739 -28.701 1.00 9.63 C ATOM 301 OG1 THR A 30 -0.080 -5.315 -29.392 1.00 11.58 O ATOM 302 CG2 THR A 30 1.239 -5.495 -27.407 1.00 11.70 C ATOM 303 HG1 THR A 30 -0.194 -4.864 -30.266 1.00 0.00 H ATOM 304 H THR A 30 0.893 -3.074 -30.635 1.00 0.00 H ATOM 305 N ARG A 31 2.888 -2.159 -28.143 1.00 8.46 N ATOM 306 CA ARG A 31 3.892 -1.447 -27.328 1.00 8.59 C ATOM 307 C ARG A 31 3.284 -0.210 -26.718 1.00 8.67 C ATOM 308 O ARG A 31 3.526 0.105 -25.535 1.00 9.43 O ATOM 309 CB ARG A 31 5.146 -1.096 -28.067 1.00 8.66 C ATOM 310 CG ARG A 31 5.939 -2.324 -28.535 1.00 9.02 C ATOM 311 CD ARG A 31 7.381 -1.988 -28.884 1.00 9.10 C ATOM 312 NE ARG A 31 7.546 -0.783 -29.692 1.00 9.59 N ATOM 313 CZ ARG A 31 7.483 -0.731 -31.012 1.00 9.56 C ATOM 314 NH1 ARG A 31 7.200 -1.783 -31.731 1.00 9.73 N ATOM 315 NH2 ARG A 31 7.668 0.440 -31.614 1.00 12.04 N ATOM 316 HE ARG A 31 7.728 0.108 -29.188 1.00 0.00 H ATOM 317 HH12 ARG A 31 7.158 -1.709 -32.767 1.00 0.00 H ATOM 318 HH11 ARG A 31 7.016 -2.696 -31.267 1.00 0.00 H ATOM 319 HH22 ARG A 31 7.623 0.504 -32.651 1.00 0.00 H ATOM 320 HH21 ARG A 31 7.858 1.292 -31.048 1.00 0.00 H ATOM 321 H ARG A 31 3.072 -2.330 -29.152 1.00 0.00 H ATOM 322 N LYS A 32 2.501 0.543 -27.499 1.00 9.09 N ATOM 323 CA LYS A 32 1.969 1.795 -26.984 1.00 9.68 C ATOM 324 C LYS A 32 0.975 1.518 -25.855 1.00 8.99 C ATOM 325 O LYS A 32 0.984 2.149 -24.783 1.00 9.64 O ATOM 326 CB LYS A 32 1.189 2.578 -28.071 1.00 10.17 C ATOM 327 CG LYS A 32 2.149 3.256 -29.056 1.00 12.39 C ATOM 328 CD LYS A 32 2.986 4.384 -28.369 1.00 14.85 C ATOM 329 CE LYS A 32 3.605 5.331 -29.355 1.00 15.91 C ATOM 330 NZ LYS A 32 4.401 6.393 -28.670 1.00 22.71 N ATOM 331 HZ1 LYS A 32 3.780 6.936 -28.037 1.00 0.00 H ATOM 332 HZ2 LYS A 32 5.162 5.951 -28.116 1.00 0.00 H ATOM 333 HZ3 LYS A 32 4.814 7.029 -29.382 1.00 0.00 H ATOM 334 H LYS A 32 2.275 0.236 -28.466 1.00 0.00 H ATOM 335 N VAL A 33 0.062 0.582 -26.070 1.00 8.91 N ATOM 336 CA VAL A 33 -0.985 0.290 -25.083 1.00 9.36 C ATOM 337 C VAL A 33 -0.381 -0.358 -23.836 1.00 8.51 C ATOM 338 O VAL A 33 -0.706 0.001 -22.685 1.00 9.12 O ATOM 339 CB VAL A 33 -2.084 -0.605 -25.715 1.00 11.34 C ATOM 340 CG1 VAL A 33 -3.017 -1.283 -24.685 1.00 13.77 C ATOM 341 CG2 VAL A 33 -2.808 0.200 -26.787 1.00 14.47 C ATOM 342 H VAL A 33 0.088 0.042 -26.958 1.00 0.00 H ATOM 343 N ALA A 34 0.538 -1.319 -23.990 1.00 8.69 N ATOM 344 CA ALA A 34 1.150 -1.942 -22.858 1.00 9.26 C ATOM 345 C ALA A 34 1.979 -0.966 -22.087 1.00 8.56 C ATOM 346 O ALA A 34 2.052 -1.016 -20.851 1.00 9.31 O ATOM 347 CB ALA A 34 2.034 -3.151 -23.283 1.00 10.84 C ATOM 348 H ALA A 34 0.811 -1.617 -24.948 1.00 0.00 H ATOM 349 N GLY A 35 2.668 -0.054 -22.769 1.00 9.24 N ATOM 350 CA GLY A 35 3.525 0.893 -22.091 1.00 9.71 C ATOM 351 C GLY A 35 2.807 1.886 -21.247 1.00 9.37 C ATOM 352 O GLY A 35 3.369 2.417 -20.289 1.00 11.54 O ATOM 353 H GLY A 35 2.589 -0.022 -23.805 1.00 0.00 H ATOM 354 N MET A 36 1.536 2.187 -21.542 1.00 9.49 N ATOM 355 CA MET A 36 0.696 3.087 -20.730 1.00 9.99 C ATOM 356 C MET A 36 0.283 2.472 -19.391 1.00 9.97 C ATOM 357 O MET A 36 0.016 3.177 -18.448 1.00 11.57 O ATOM 358 CB MET A 36 -0.553 3.450 -21.503 1.00 10.24 C ATOM 359 CG MET A 36 -0.328 4.444 -22.663 1.00 10.48 C ATOM 360 SD MET A 36 -0.018 6.115 -22.144 1.00 10.34 S ATOM 361 CE MET A 36 -1.596 6.538 -21.401 1.00 15.20 C ATOM 362 H MET A 36 1.117 1.761 -22.393 1.00 0.00 H ATOM 363 N ALA A 37 0.167 1.154 -19.336 1.00 9.03 N ATOM 364 CA ALA A 37 -0.492 0.530 -18.199 1.00 9.79 C ATOM 365 C ALA A 37 0.375 0.533 -16.964 1.00 9.89 C ATOM 366 O ALA A 37 1.596 0.461 -17.022 1.00 10.33 O ATOM 367 CB ALA A 37 -0.900 -0.915 -18.563 1.00 10.02 C ATOM 368 H ALA A 37 0.547 0.566 -20.105 1.00 0.00 H ATOM 369 N LYS A 38 -0.293 0.487 -15.820 1.00 10.74 N ATOM 370 CA LYS A 38 0.299 0.361 -14.500 1.00 11.52 C ATOM 371 C LYS A 38 -0.239 -0.883 -13.855 1.00 10.23 C ATOM 372 O LYS A 38 -1.144 -0.808 -13.007 1.00 11.47 O ATOM 373 CB LYS A 38 0.090 1.590 -13.657 1.00 15.25 C ATOM 374 CG LYS A 38 0.765 2.829 -14.191 1.00 18.40 C ATOM 375 CD LYS A 38 2.154 2.678 -13.741 1.00 24.81 C ATOM 376 CE LYS A 38 3.134 2.929 -14.705 1.00 28.69 C ATOM 377 NZ LYS A 38 3.024 4.360 -15.038 1.00 35.72 N ATOM 378 HZ1 LYS A 38 2.073 4.556 -15.410 1.00 0.00 H ATOM 379 HZ2 LYS A 38 3.186 4.927 -14.182 1.00 0.00 H ATOM 380 HZ3 LYS A 38 3.736 4.603 -15.756 1.00 0.00 H ATOM 381 H LYS A 38 -1.330 0.546 -15.872 1.00 0.00 H ATOM 382 N PRO A 39 0.232 -2.094 -14.240 1.00 10.10 N ATOM 383 CA PRO A 39 -0.316 -3.294 -13.702 1.00 10.63 C ATOM 384 C PRO A 39 -0.075 -3.489 -12.201 1.00 10.23 C ATOM 385 O PRO A 39 0.853 -2.977 -11.622 1.00 11.37 O ATOM 386 CB PRO A 39 0.409 -4.404 -14.459 1.00 11.86 C ATOM 387 CG PRO A 39 1.646 -3.742 -15.072 1.00 14.44 C ATOM 388 CD PRO A 39 1.281 -2.369 -15.242 1.00 11.49 C ATOM 389 N ASN A 40 -0.996 -4.266 -11.624 1.00 10.31 N ATOM 390 CA ASN A 40 -0.935 -4.740 -10.221 1.00 11.72 C ATOM 391 C ASN A 40 -0.713 -6.243 -10.223 1.00 12.29 C ATOM 392 O ASN A 40 -1.428 -6.960 -10.921 1.00 14.71 O ATOM 393 CB ASN A 40 -2.312 -4.446 -9.580 1.00 13.99 C ATOM 394 CG ASN A 40 -2.366 -4.624 -8.087 1.00 18.27 C ATOM 395 OD1 ASN A 40 -3.235 -5.385 -7.585 1.00 21.29 O ATOM 396 ND2 ASN A 40 -1.462 -3.952 -7.369 1.00 20.17 N ATOM 397 HD22 ASN A 40 -0.770 -3.339 -7.846 1.00 0.00 H ATOM 398 HD21 ASN A 40 -1.450 -4.042 -6.333 1.00 0.00 H ATOM 399 H ASN A 40 -1.812 -4.558 -12.199 1.00 0.00 H ATOM 400 N THR A 41 0.199 -6.748 -9.391 1.00 11.99 N ATOM 401 CA THR A 41 0.477 -8.160 -9.322 1.00 12.16 C ATOM 402 C THR A 41 0.430 -8.613 -7.903 1.00 11.64 C ATOM 403 O THR A 41 1.124 -7.998 -7.047 1.00 14.73 O ATOM 404 CB THR A 41 1.859 -8.478 -9.888 1.00 14.14 C ATOM 405 OG1 THR A 41 1.915 -8.116 -11.269 1.00 15.71 O ATOM 406 CG2 THR A 41 2.175 -10.034 -9.831 1.00 16.15 C ATOM 407 HG1 THR A 41 1.231 -8.626 -11.771 1.00 0.00 H ATOM 408 H THR A 41 0.727 -6.101 -8.771 1.00 0.00 H ATOM 409 N ILE A 42 -0.243 -9.709 -7.636 1.00 11.29 N ATOM 410 CA ILE A 42 -0.354 -10.358 -6.332 1.00 11.06 C ATOM 411 C ILE A 42 0.597 -11.548 -6.475 1.00 9.58 C ATOM 412 O ILE A 42 0.403 -12.439 -7.342 1.00 10.70 O ATOM 413 CB ILE A 42 -1.814 -10.823 -5.905 1.00 11.85 C ATOM 414 CG1 ILE A 42 -2.736 -9.615 -5.922 1.00 13.75 C ATOM 415 CG2 ILE A 42 -1.779 -11.562 -4.580 1.00 13.97 C ATOM 416 CD1 ILE A 42 -4.136 -9.995 -5.996 1.00 16.67 C ATOM 417 H ILE A 42 -0.745 -10.158 -8.429 1.00 0.00 H ATOM 418 N ILE A 43 1.558 -11.602 -5.596 1.00 9.85 N ATOM 419 CA ILE A 43 2.445 -12.723 -5.457 1.00 9.40 C ATOM 420 C ILE A 43 2.132 -13.455 -4.186 1.00 9.27 C ATOM 421 O ILE A 43 2.146 -12.866 -3.098 1.00 10.09 O ATOM 422 CB ILE A 43 3.953 -12.244 -5.401 1.00 9.85 C ATOM 423 CG1 ILE A 43 4.293 -11.469 -6.642 1.00 10.08 C ATOM 424 CG2 ILE A 43 4.856 -13.437 -5.156 1.00 10.51 C ATOM 425 CD1 ILE A 43 5.721 -10.964 -6.715 1.00 11.83 C ATOM 426 H ILE A 43 1.690 -10.789 -4.961 1.00 0.00 H ATOM 427 N SER A 44 1.727 -14.732 -4.312 1.00 9.91 N ATOM 428 CA SER A 44 1.337 -15.521 -3.137 1.00 10.50 C ATOM 429 C SER A 44 1.969 -16.872 -3.216 1.00 9.49 C ATOM 430 O SER A 44 2.411 -17.315 -4.259 1.00 10.20 O ATOM 431 CB SER A 44 -0.175 -15.604 -3.030 1.00 13.17 C ATOM 432 OG SER A 44 -0.723 -16.234 -4.139 1.00 14.75 O ATOM 433 HG SER A 44 -0.491 -15.724 -4.955 1.00 0.00 H ATOM 434 H SER A 44 1.690 -15.167 -5.256 1.00 0.00 H ATOM 435 N VAL A 45 1.996 -17.549 -2.069 1.00 10.54 N ATOM 436 CA VAL A 45 2.613 -18.859 -1.944 1.00 10.59 C ATOM 437 C VAL A 45 1.632 -19.771 -1.215 1.00 10.20 C ATOM 438 O VAL A 45 1.048 -19.380 -0.186 1.00 12.70 O ATOM 439 CB VAL A 45 3.955 -18.793 -1.242 1.00 11.81 C ATOM 440 CG1 VAL A 45 4.533 -20.149 -1.000 1.00 16.76 C ATOM 441 CG2 VAL A 45 4.890 -17.899 -1.990 1.00 15.43 C ATOM 442 H VAL A 45 1.557 -17.122 -1.228 1.00 0.00 H ATOM 443 N ASN A 46 1.521 -21.005 -1.660 1.00 10.32 N ATOM 444 CA ASN A 46 0.790 -22.050 -0.998 1.00 10.36 C ATOM 445 C ASN A 46 1.635 -23.304 -1.070 1.00 10.35 C ATOM 446 O ASN A 46 1.799 -23.873 -2.144 1.00 10.08 O ATOM 447 CB ASN A 46 -0.578 -22.217 -1.649 1.00 10.46 C ATOM 448 CG ASN A 46 -1.389 -23.282 -1.000 1.00 10.50 C ATOM 449 OD1 ASN A 46 -0.835 -24.277 -0.531 1.00 11.33 O ATOM 450 ND2 ASN A 46 -2.706 -23.118 -0.989 1.00 10.86 N ATOM 451 HD22 ASN A 46 -3.127 -22.259 -1.398 1.00 0.00 H ATOM 452 HD21 ASN A 46 -3.317 -23.848 -0.571 1.00 0.00 H ATOM 453 H ASN A 46 1.996 -21.240 -2.555 1.00 0.00 H ATOM 454 N GLY A 47 2.190 -23.696 0.060 1.00 12.19 N ATOM 455 CA GLY A 47 3.143 -24.775 -0.001 1.00 12.03 C ATOM 456 C GLY A 47 4.336 -24.451 -0.890 1.00 11.53 C ATOM 457 O GLY A 47 4.955 -23.411 -0.770 1.00 13.89 O ATOM 458 H GLY A 47 1.948 -23.242 0.964 1.00 0.00 H ATOM 459 N ASP A 48 4.659 -25.347 -1.822 1.00 11.19 N ATOM 460 CA ASP A 48 5.692 -25.162 -2.822 1.00 12.34 C ATOM 461 C ASP A 48 5.203 -24.358 -4.031 1.00 11.05 C ATOM 462 O ASP A 48 6.091 -24.035 -4.871 1.00 12.07 O ATOM 463 CB ASP A 48 6.223 -26.521 -3.341 1.00 14.97 C ATOM 464 CG ASP A 48 7.014 -27.278 -2.316 1.00 20.20 C ATOM 465 OD1 ASP A 48 7.518 -26.703 -1.346 1.00 28.16 O ATOM 466 OD2 ASP A 48 7.122 -28.513 -2.524 1.00 36.74 O ATOM 467 H ASP A 48 4.132 -26.244 -1.833 1.00 0.00 H ATOM 468 N VAL A 49 3.923 -24.027 -4.147 1.00 9.87 N ATOM 469 CA VAL A 49 3.455 -23.371 -5.350 1.00 9.24 C ATOM 470 C VAL A 49 3.427 -21.858 -5.142 1.00 8.77 C ATOM 471 O VAL A 49 2.770 -21.334 -4.249 1.00 9.97 O ATOM 472 CB VAL A 49 2.048 -23.860 -5.718 1.00 9.69 C ATOM 473 CG1 VAL A 49 1.601 -23.184 -7.004 1.00 10.90 C ATOM 474 CG2 VAL A 49 2.028 -25.403 -5.831 1.00 13.08 C ATOM 475 H VAL A 49 3.258 -24.238 -3.376 1.00 0.00 H ATOM 476 N ILE A 50 4.108 -21.133 -6.034 1.00 8.52 N ATOM 477 CA ILE A 50 4.116 -19.686 -6.109 1.00 8.67 C ATOM 478 C ILE A 50 3.133 -19.287 -7.207 1.00 8.32 C ATOM 479 O ILE A 50 3.139 -19.859 -8.306 1.00 8.57 O ATOM 480 CB ILE A 50 5.488 -19.127 -6.368 1.00 9.61 C ATOM 481 CG1 ILE A 50 6.498 -19.647 -5.295 1.00 10.79 C ATOM 482 CG2 ILE A 50 5.428 -17.600 -6.439 1.00 10.81 C ATOM 483 CD1 ILE A 50 7.870 -19.381 -5.621 1.00 15.78 C ATOM 484 H ILE A 50 4.680 -21.650 -6.732 1.00 0.00 H ATOM 485 N THR A 51 2.278 -18.328 -6.940 1.00 9.11 N ATOM 486 CA THR A 51 1.390 -17.778 -7.937 1.00 9.65 C ATOM 487 C THR A 51 1.652 -16.267 -8.111 1.00 9.34 C ATOM 488 O THR A 51 1.807 -15.545 -7.154 1.00 10.02 O ATOM 489 CB THR A 51 -0.079 -18.015 -7.514 1.00 11.31 C ATOM 490 OG1 THR A 51 -0.350 -19.422 -7.382 1.00 11.96 O ATOM 491 CG2 THR A 51 -1.053 -17.469 -8.550 1.00 13.30 C ATOM 492 HG1 THR A 51 -0.190 -19.871 -8.250 1.00 0.00 H ATOM 493 H THR A 51 2.238 -17.949 -5.972 1.00 0.00 H ATOM 494 N LEU A 52 1.704 -15.869 -9.365 1.00 9.68 N ATOM 495 CA LEU A 52 1.844 -14.476 -9.747 1.00 10.52 C ATOM 496 C LEU A 52 0.621 -14.091 -10.580 1.00 10.88 C ATOM 497 O LEU A 52 0.510 -14.602 -11.714 1.00 12.33 O ATOM 498 CB LEU A 52 3.126 -14.266 -10.556 1.00 13.05 C ATOM 499 CG LEU A 52 4.483 -14.883 -10.143 1.00 16.06 C ATOM 500 CD1 LEU A 52 5.660 -14.630 -11.151 1.00 23.04 C ATOM 501 CD2 LEU A 52 4.819 -14.323 -8.820 1.00 18.83 C ATOM 502 H LEU A 52 1.642 -16.586 -10.116 1.00 0.00 H ATOM 503 N LYS A 53 -0.262 -13.249 -10.040 1.00 11.39 N ATOM 504 CA LYS A 53 -1.559 -12.883 -10.638 1.00 11.54 C ATOM 505 C LYS A 53 -1.522 -11.416 -10.966 1.00 11.31 C ATOM 506 O LYS A 53 -1.469 -10.616 -10.035 1.00 13.25 O ATOM 507 CB LYS A 53 -2.710 -13.235 -9.747 1.00 13.18 C ATOM 508 CG LYS A 53 -4.054 -12.904 -10.363 1.00 13.75 C ATOM 509 CD LYS A 53 -5.260 -13.348 -9.484 1.00 14.71 C ATOM 510 CE LYS A 53 -6.576 -13.196 -10.228 1.00 15.76 C ATOM 511 NZ LYS A 53 -7.813 -13.657 -9.480 1.00 16.90 N ATOM 512 HZ1 LYS A 53 -7.722 -14.668 -9.252 1.00 0.00 H ATOM 513 HZ2 LYS A 53 -7.910 -13.109 -8.601 1.00 0.00 H ATOM 514 HZ3 LYS A 53 -8.652 -13.509 -10.076 1.00 0.00 H ATOM 515 H LYS A 53 -0.016 -12.817 -9.126 1.00 0.00 H ATOM 516 N THR A 54 -1.560 -11.070 -12.269 1.00 11.37 N ATOM 517 CA THR A 54 -1.485 -9.696 -12.710 1.00 10.84 C ATOM 518 C THR A 54 -2.769 -9.247 -13.334 1.00 9.80 C ATOM 519 O THR A 54 -3.444 -9.971 -14.062 1.00 10.05 O ATOM 520 CB THR A 54 -0.381 -9.599 -13.708 1.00 12.29 C ATOM 521 OG1 THR A 54 0.854 -10.000 -13.090 1.00 14.17 O ATOM 522 CG2 THR A 54 -0.244 -8.207 -14.332 1.00 14.15 C ATOM 523 HG1 THR A 54 1.588 -9.936 -13.751 1.00 0.00 H ATOM 524 H THR A 54 -1.647 -11.821 -12.984 1.00 0.00 H ATOM 525 N GLU A 55 -3.165 -8.031 -12.933 1.00 9.63 N ATOM 526 CA GLU A 55 -4.375 -7.409 -13.442 1.00 9.99 C ATOM 527 C GLU A 55 -4.015 -5.994 -13.950 1.00 9.59 C ATOM 528 O GLU A 55 -3.220 -5.254 -13.326 1.00 9.99 O ATOM 529 CB GLU A 55 -5.540 -7.323 -12.454 1.00 12.13 C ATOM 530 CG GLU A 55 -6.072 -8.632 -12.155 1.00 12.69 C ATOM 531 CD GLU A 55 -7.223 -8.681 -11.142 1.00 15.89 C ATOM 532 OE1 GLU A 55 -7.349 -7.733 -10.348 1.00 18.97 O ATOM 533 OE2 GLU A 55 -7.943 -9.714 -11.096 1.00 18.48 O ATOM 534 H GLU A 55 -2.589 -7.517 -12.236 1.00 0.00 H ATOM 535 N SER A 56 -4.574 -5.668 -15.104 1.00 9.28 N ATOM 536 CA SER A 56 -4.305 -4.353 -15.661 1.00 8.66 C ATOM 537 C SER A 56 -5.397 -4.041 -16.659 1.00 8.99 C ATOM 538 O SER A 56 -6.203 -4.888 -17.048 1.00 10.47 O ATOM 539 CB SER A 56 -2.982 -4.333 -16.370 1.00 9.37 C ATOM 540 OG SER A 56 -2.995 -5.014 -17.608 1.00 11.35 O ATOM 541 HG SER A 56 -3.238 -5.962 -17.459 1.00 0.00 H ATOM 542 H SER A 56 -5.193 -6.339 -15.602 1.00 0.00 H ATOM 543 N THR A 57 -5.353 -2.804 -17.180 1.00 9.69 N ATOM 544 CA THR A 57 -6.251 -2.414 -18.270 1.00 10.29 C ATOM 545 C THR A 57 -5.979 -3.183 -19.574 1.00 10.87 C ATOM 546 O THR A 57 -6.901 -3.245 -20.437 1.00 14.39 O ATOM 547 CB THR A 57 -6.084 -0.902 -18.569 1.00 10.74 C ATOM 548 OG1 THR A 57 -4.783 -0.639 -18.980 1.00 12.29 O ATOM 549 CG2 THR A 57 -6.420 -0.072 -17.380 1.00 11.16 C ATOM 550 HG1 THR A 57 -4.687 0.328 -19.168 1.00 0.00 H ATOM 551 H THR A 57 -4.672 -2.113 -16.805 1.00 0.00 H ATOM 552 N PHE A 58 -4.764 -3.673 -19.750 1.00 11.47 N ATOM 553 CA PHE A 58 -4.329 -4.274 -21.003 1.00 13.00 C ATOM 554 C PHE A 58 -4.600 -5.761 -21.037 1.00 13.97 C ATOM 555 O PHE A 58 -5.366 -6.276 -21.859 1.00 17.38 O ATOM 556 CB PHE A 58 -2.845 -3.944 -21.256 1.00 14.30 C ATOM 557 CG PHE A 58 -2.188 -4.724 -22.404 1.00 14.47 C ATOM 558 CD1 PHE A 58 -2.707 -4.651 -23.671 1.00 17.42 C ATOM 559 CD2 PHE A 58 -1.076 -5.528 -22.175 1.00 14.98 C ATOM 560 CE1 PHE A 58 -2.104 -5.410 -24.715 1.00 17.66 C ATOM 561 CE2 PHE A 58 -0.548 -6.248 -23.202 1.00 16.66 C ATOM 562 CZ PHE A 58 -1.053 -6.213 -24.435 1.00 15.67 C ATOM 563 H PHE A 58 -4.090 -3.627 -18.960 1.00 0.00 H ATOM 564 N LYS A 59 -4.006 -6.456 -20.095 1.00 13.02 N ATOM 565 CA LYS A 59 -4.089 -7.898 -20.021 1.00 13.43 C ATOM 566 C LYS A 59 -4.021 -8.195 -18.467 1.00 11.91 C ATOM 567 O LYS A 59 -3.381 -7.646 -17.638 1.00 13.47 O ATOM 568 CB LYS A 59 -2.878 -8.571 -20.717 1.00 17.87 C ATOM 569 CG LYS A 59 -2.785 -8.502 -22.238 1.00 20.59 C ATOM 570 CD LYS A 59 -3.393 -9.717 -22.850 1.00 26.46 C ATOM 571 CE LYS A 59 -3.116 -9.829 -24.348 1.00 29.11 C ATOM 572 NZ LYS A 59 -3.731 -8.696 -25.102 1.00 37.18 N ATOM 573 HZ1 LYS A 59 -4.761 -8.702 -24.955 1.00 0.00 H ATOM 574 HZ2 LYS A 59 -3.335 -7.798 -24.759 1.00 0.00 H ATOM 575 HZ3 LYS A 59 -3.524 -8.803 -26.116 1.00 0.00 H ATOM 576 H LYS A 59 -3.454 -5.950 -19.373 1.00 0.00 H ATOM 577 N ASN A 60 -4.830 -9.361 -18.253 1.00 12.01 N ATOM 578 CA ASN A 60 -4.772 -10.047 -17.030 1.00 12.22 C ATOM 579 C ASN A 60 -4.024 -11.378 -17.280 1.00 14.03 C ATOM 580 O ASN A 60 -4.381 -12.075 -18.217 1.00 16.03 O ATOM 581 CB ASN A 60 -6.142 -10.263 -16.501 1.00 13.45 C ATOM 582 CG ASN A 60 -6.956 -9.006 -16.308 1.00 13.11 C ATOM 583 OD1 ASN A 60 -6.484 -8.015 -15.762 1.00 13.23 O ATOM 584 ND2 ASN A 60 -8.191 -8.995 -16.842 1.00 21.10 N ATOM 585 HD22 ASN A 60 -8.567 -9.850 -17.300 1.00 0.00 H ATOM 586 HD21 ASN A 60 -8.769 -8.132 -16.797 1.00 0.00 H ATOM 587 H ASN A 60 -5.462 -9.699 -19.007 1.00 0.00 H ATOM 588 N THR A 61 -3.103 -11.766 -16.414 1.00 13.72 N ATOM 589 CA THR A 61 -2.303 -12.991 -16.577 1.00 13.87 C ATOM 590 C THR A 61 -2.257 -13.646 -15.200 1.00 13.26 C ATOM 591 O THR A 61 -2.255 -12.958 -14.201 1.00 13.04 O ATOM 592 CB THR A 61 -0.866 -12.705 -17.140 1.00 15.66 C ATOM 593 OG1 THR A 61 -0.090 -11.827 -16.291 1.00 15.87 O ATOM 594 CG2 THR A 61 -0.948 -12.051 -18.546 1.00 20.65 C ATOM 595 HG1 THR A 61 0.013 -12.241 -15.397 1.00 0.00 H ATOM 596 H THR A 61 -2.935 -11.175 -15.575 1.00 0.00 H ATOM 597 N GLU A 62 -2.106 -14.968 -15.158 1.00 12.63 N ATOM 598 CA GLU A 62 -1.748 -15.639 -13.935 1.00 11.22 C ATOM 599 C GLU A 62 -0.900 -16.816 -14.239 1.00 9.99 C ATOM 600 O GLU A 62 -1.237 -17.617 -15.130 1.00 11.72 O ATOM 601 CB GLU A 62 -3.071 -16.073 -13.288 1.00 13.70 C ATOM 602 CG GLU A 62 -2.942 -16.797 -12.005 1.00 14.61 C ATOM 603 CD GLU A 62 -4.194 -16.999 -11.252 1.00 16.20 C ATOM 604 OE1 GLU A 62 -5.199 -16.262 -11.464 1.00 18.69 O ATOM 605 OE2 GLU A 62 -4.203 -17.881 -10.395 1.00 17.68 O ATOM 606 H GLU A 62 -2.249 -15.526 -16.024 1.00 0.00 H ATOM 607 N ILE A 63 0.173 -16.995 -13.490 1.00 10.11 N ATOM 608 CA ILE A 63 1.007 -18.169 -13.559 1.00 9.63 C ATOM 609 C ILE A 63 1.152 -18.766 -12.185 1.00 9.22 C ATOM 610 O ILE A 63 1.299 -18.046 -11.181 1.00 10.32 O ATOM 611 CB ILE A 63 2.384 -17.915 -14.236 1.00 11.44 C ATOM 612 CG1 ILE A 63 3.244 -16.897 -13.499 1.00 12.44 C ATOM 613 CG2 ILE A 63 2.208 -17.490 -15.693 1.00 13.89 C ATOM 614 CD1 ILE A 63 4.642 -16.772 -14.074 1.00 14.56 C ATOM 615 H ILE A 63 0.430 -16.248 -12.813 1.00 0.00 H ATOM 616 N SER A 64 1.206 -20.101 -12.114 1.00 8.53 N ATOM 617 CA SER A 64 1.562 -20.824 -10.887 1.00 8.66 C ATOM 618 C SER A 64 2.670 -21.801 -11.216 1.00 8.13 C ATOM 619 O SER A 64 2.665 -22.406 -12.302 1.00 8.78 O ATOM 620 CB SER A 64 0.401 -21.568 -10.303 1.00 9.15 C ATOM 621 OG SER A 64 -0.567 -20.723 -9.790 1.00 11.18 O ATOM 622 HG SER A 64 -0.171 -20.165 -9.074 1.00 0.00 H ATOM 623 H SER A 64 0.985 -20.652 -12.968 1.00 0.00 H ATOM 624 N PHE A 65 3.650 -21.934 -10.304 1.00 8.47 N ATOM 625 CA PHE A 65 4.844 -22.714 -10.578 1.00 8.47 C ATOM 626 C PHE A 65 5.465 -23.148 -9.292 1.00 8.29 C ATOM 627 O PHE A 65 5.219 -22.634 -8.222 1.00 8.49 O ATOM 628 CB PHE A 65 5.814 -21.914 -11.454 1.00 9.43 C ATOM 629 CG PHE A 65 6.262 -20.630 -10.842 1.00 9.89 C ATOM 630 CD1 PHE A 65 5.497 -19.475 -10.982 1.00 12.17 C ATOM 631 CD2 PHE A 65 7.393 -20.605 -10.030 1.00 10.75 C ATOM 632 CE1 PHE A 65 5.828 -18.328 -10.383 1.00 14.71 C ATOM 633 CE2 PHE A 65 7.782 -19.397 -9.414 1.00 13.09 C ATOM 634 CZ PHE A 65 6.941 -18.283 -9.592 1.00 14.44 C ATOM 635 H PHE A 65 3.550 -21.467 -9.380 1.00 0.00 H ATOM 636 N ILE A 66 6.384 -24.117 -9.443 1.00 8.75 N ATOM 637 CA ILE A 66 7.285 -24.595 -8.394 1.00 9.17 C ATOM 638 C ILE A 66 8.726 -24.233 -8.819 1.00 8.69 C ATOM 639 O ILE A 66 9.059 -24.363 -9.980 1.00 8.88 O ATOM 640 CB ILE A 66 7.080 -26.094 -8.184 1.00 9.67 C ATOM 641 CG1 ILE A 66 5.644 -26.381 -7.673 1.00 10.71 C ATOM 642 CG2 ILE A 66 8.135 -26.678 -7.259 1.00 10.60 C ATOM 643 CD1 ILE A 66 5.316 -27.848 -7.557 1.00 12.62 C ATOM 644 H ILE A 66 6.461 -24.562 -10.380 1.00 0.00 H ATOM 645 N LEU A 67 9.510 -23.771 -7.856 1.00 9.35 N ATOM 646 CA LEU A 67 10.878 -23.366 -8.172 1.00 9.97 C ATOM 647 C LEU A 67 11.640 -24.500 -8.822 1.00 10.19 C ATOM 648 O LEU A 67 11.610 -25.655 -8.388 1.00 10.87 O ATOM 649 CB LEU A 67 11.604 -22.876 -6.922 1.00 11.20 C ATOM 650 CG LEU A 67 11.088 -21.590 -6.302 1.00 11.73 C ATOM 651 CD1 LEU A 67 11.581 -21.372 -4.866 1.00 15.13 C ATOM 652 CD2 LEU A 67 11.341 -20.416 -7.186 1.00 13.72 C ATOM 653 H LEU A 67 9.154 -23.697 -6.882 1.00 0.00 H ATOM 654 N GLY A 68 12.299 -24.167 -9.915 1.00 10.82 N ATOM 655 CA GLY A 68 13.127 -25.066 -10.664 1.00 11.79 C ATOM 656 C GLY A 68 12.441 -25.977 -11.646 1.00 11.47 C ATOM 657 O GLY A 68 13.127 -26.692 -12.366 1.00 13.72 O ATOM 658 H GLY A 68 12.212 -23.188 -10.256 1.00 0.00 H ATOM 659 N GLN A 69 11.104 -25.945 -11.710 1.00 10.45 N ATOM 660 CA GLN A 69 10.312 -26.853 -12.557 1.00 10.63 C ATOM 661 C GLN A 69 9.781 -26.105 -13.742 1.00 8.75 C ATOM 662 O GLN A 69 8.979 -25.167 -13.619 1.00 9.87 O ATOM 663 CB GLN A 69 9.179 -27.512 -11.755 1.00 11.76 C ATOM 664 CG GLN A 69 9.767 -28.298 -10.568 1.00 14.92 C ATOM 665 CD GLN A 69 10.187 -29.701 -10.960 1.00 15.86 C ATOM 666 OE1 GLN A 69 9.550 -30.360 -11.762 1.00 21.83 O ATOM 667 NE2 GLN A 69 11.096 -30.151 -10.356 1.00 19.32 N ATOM 668 HE22 GLN A 69 11.616 -29.557 -9.679 1.00 0.00 H ATOM 669 HE21 GLN A 69 11.377 -31.142 -10.501 1.00 0.00 H ATOM 670 H GLN A 69 10.599 -25.243 -11.132 1.00 0.00 H ATOM 671 N GLU A 70 10.184 -26.519 -14.933 1.00 8.83 N ATOM 672 CA GLU A 70 9.802 -25.863 -16.143 1.00 9.30 C ATOM 673 C GLU A 70 8.301 -25.960 -16.385 1.00 8.59 C ATOM 674 O GLU A 70 7.706 -26.984 -16.100 1.00 9.75 O ATOM 675 CB GLU A 70 10.530 -26.439 -17.323 1.00 10.93 C ATOM 676 CG GLU A 70 10.354 -25.708 -18.656 1.00 11.28 C ATOM 677 CD GLU A 70 11.421 -26.071 -19.669 1.00 12.85 C ATOM 678 OE1 GLU A 70 11.324 -27.157 -20.179 1.00 17.76 O ATOM 679 OE2 GLU A 70 12.284 -25.262 -20.024 1.00 15.44 O ATOM 680 H GLU A 70 10.802 -27.353 -14.990 1.00 0.00 H ATOM 681 N PHE A 71 7.724 -24.893 -16.929 1.00 8.87 N ATOM 682 CA PHE A 71 6.306 -24.809 -17.202 1.00 8.78 C ATOM 683 C PHE A 71 6.005 -24.051 -18.471 1.00 8.22 C ATOM 684 O PHE A 71 6.840 -23.303 -18.957 1.00 9.39 O ATOM 685 CB PHE A 71 5.548 -24.198 -15.970 1.00 8.78 C ATOM 686 CG PHE A 71 5.920 -22.785 -15.644 1.00 8.40 C ATOM 687 CD1 PHE A 71 6.998 -22.532 -14.822 1.00 8.57 C ATOM 688 CD2 PHE A 71 5.168 -21.723 -16.089 1.00 9.51 C ATOM 689 CE1 PHE A 71 7.342 -21.212 -14.502 1.00 8.60 C ATOM 690 CE2 PHE A 71 5.472 -20.414 -15.743 1.00 9.65 C ATOM 691 CZ PHE A 71 6.559 -20.197 -14.958 1.00 9.00 C ATOM 692 H PHE A 71 8.322 -24.077 -17.171 1.00 0.00 H ATOM 693 N ASP A 72 4.799 -24.266 -18.998 1.00 8.28 N ATOM 694 CA ASP A 72 4.293 -23.522 -20.137 1.00 8.69 C ATOM 695 C ASP A 72 3.728 -22.185 -19.703 1.00 8.58 C ATOM 696 O ASP A 72 2.961 -22.127 -18.742 1.00 9.37 O ATOM 697 CB ASP A 72 3.212 -24.321 -20.832 1.00 8.29 C ATOM 698 CG ASP A 72 3.700 -25.583 -21.458 1.00 9.28 C ATOM 699 OD1 ASP A 72 4.734 -25.544 -22.153 1.00 10.93 O ATOM 700 OD2 ASP A 72 3.014 -26.633 -21.282 1.00 11.41 O ATOM 701 H ASP A 72 4.195 -24.999 -18.574 1.00 0.00 H ATOM 702 N GLU A 73 4.075 -21.117 -20.414 1.00 8.72 N ATOM 703 CA GLU A 73 3.550 -19.788 -20.160 1.00 9.11 C ATOM 704 C GLU A 73 3.163 -19.127 -21.455 1.00 9.01 C ATOM 705 O GLU A 73 3.897 -19.228 -22.433 1.00 10.01 O ATOM 706 CB GLU A 73 4.663 -18.978 -19.425 1.00 9.25 C ATOM 707 CG GLU A 73 4.251 -17.520 -19.129 1.00 9.49 C ATOM 708 CD GLU A 73 5.325 -16.692 -18.437 1.00 10.09 C ATOM 709 OE1 GLU A 73 6.476 -17.140 -18.285 1.00 10.20 O ATOM 710 OE2 GLU A 73 4.980 -15.552 -18.041 1.00 12.63 O ATOM 711 H GLU A 73 4.756 -21.240 -21.190 1.00 0.00 H ATOM 712 N VAL A 74 2.049 -18.403 -21.445 1.00 9.81 N ATOM 713 CA VAL A 74 1.710 -17.516 -22.549 1.00 10.36 C ATOM 714 C VAL A 74 1.861 -16.109 -22.036 1.00 10.26 C ATOM 715 O VAL A 74 1.207 -15.696 -21.065 1.00 12.30 O ATOM 716 CB VAL A 74 0.305 -17.738 -23.088 1.00 12.96 C ATOM 717 CG1 VAL A 74 -0.022 -16.754 -24.217 1.00 15.00 C ATOM 718 CG2 VAL A 74 0.169 -19.198 -23.585 1.00 18.24 C ATOM 719 H VAL A 74 1.405 -18.471 -20.631 1.00 0.00 H ATOM 720 N THR A 75 2.801 -15.377 -22.608 1.00 9.17 N ATOM 721 CA THR A 75 3.146 -14.022 -22.123 1.00 9.78 C ATOM 722 C THR A 75 2.096 -13.022 -22.562 1.00 10.42 C ATOM 723 O THR A 75 1.237 -13.300 -23.403 1.00 10.75 O ATOM 724 CB THR A 75 4.548 -13.645 -22.614 1.00 9.77 C ATOM 725 OG1 THR A 75 4.502 -13.486 -24.048 1.00 10.12 O ATOM 726 CG2 THR A 75 5.589 -14.698 -22.265 1.00 10.69 C ATOM 727 HG1 THR A 75 3.858 -12.770 -24.279 1.00 0.00 H ATOM 728 H THR A 75 3.314 -15.765 -23.425 1.00 0.00 H ATOM 729 N ALA A 76 2.194 -11.815 -21.996 1.00 11.48 N ATOM 730 CA ALA A 76 1.231 -10.756 -22.280 1.00 11.39 C ATOM 731 C ALA A 76 1.261 -10.359 -23.767 1.00 11.19 C ATOM 732 O ALA A 76 0.200 -9.942 -24.305 1.00 14.14 O ATOM 733 CB ALA A 76 1.458 -9.596 -21.406 1.00 12.72 C ATOM 734 H ALA A 76 2.976 -11.626 -21.337 1.00 0.00 H ATOM 735 N ASP A 77 2.425 -10.510 -24.426 1.00 10.66 N ATOM 736 CA ASP A 77 2.606 -10.300 -25.863 1.00 10.86 C ATOM 737 C ASP A 77 2.401 -11.543 -26.683 1.00 10.70 C ATOM 738 O ASP A 77 2.711 -11.563 -27.865 1.00 12.52 O ATOM 739 CB ASP A 77 3.945 -9.666 -26.206 1.00 10.59 C ATOM 740 CG ASP A 77 5.135 -10.468 -25.736 1.00 10.12 C ATOM 741 OD1 ASP A 77 5.124 -10.936 -24.568 1.00 10.83 O ATOM 742 OD2 ASP A 77 6.084 -10.587 -26.502 1.00 11.49 O ATOM 743 H ASP A 77 3.258 -10.797 -23.873 1.00 0.00 H ATOM 744 N ASP A 78 1.783 -12.585 -26.076 1.00 10.76 N ATOM 745 CA ASP A 78 1.325 -13.792 -26.757 1.00 10.89 C ATOM 746 C ASP A 78 2.424 -14.722 -27.244 1.00 11.61 C ATOM 747 O ASP A 78 2.157 -15.594 -28.061 1.00 15.52 O ATOM 748 CB ASP A 78 0.267 -13.483 -27.867 1.00 12.12 C ATOM 749 CG ASP A 78 -0.904 -12.819 -27.368 1.00 15.58 C ATOM 750 OD1 ASP A 78 -1.442 -13.277 -26.328 1.00 20.16 O ATOM 751 OD2 ASP A 78 -1.324 -11.757 -27.957 1.00 20.69 O ATOM 752 H ASP A 78 1.623 -12.520 -25.050 1.00 0.00 H ATOM 753 N ARG A 79 3.616 -14.637 -26.659 1.00 10.69 N ATOM 754 CA ARG A 79 4.604 -15.660 -26.902 1.00 10.20 C ATOM 755 C ARG A 79 4.255 -16.909 -26.100 1.00 9.89 C ATOM 756 O ARG A 79 3.879 -16.823 -24.948 1.00 10.79 O ATOM 757 CB ARG A 79 6.004 -15.186 -26.516 1.00 10.36 C ATOM 758 CG ARG A 79 6.597 -14.138 -27.436 1.00 10.96 C ATOM 759 CD ARG A 79 7.924 -13.587 -26.906 1.00 10.65 C ATOM 760 NE ARG A 79 7.729 -12.720 -25.767 1.00 9.89 N ATOM 761 CZ ARG A 79 8.159 -12.859 -24.529 1.00 9.96 C ATOM 762 NH1 ARG A 79 9.087 -13.761 -24.204 1.00 10.34 N ATOM 763 NH2 ARG A 79 7.677 -12.060 -23.601 1.00 10.06 N ATOM 764 HE ARG A 79 7.169 -11.863 -25.950 1.00 0.00 H ATOM 765 HH12 ARG A 79 9.406 -13.847 -23.218 1.00 0.00 H ATOM 766 HH11 ARG A 79 9.491 -14.378 -24.937 1.00 0.00 H ATOM 767 HH22 ARG A 79 8.001 -12.151 -22.617 1.00 0.00 H ATOM 768 HH21 ARG A 79 6.972 -11.338 -23.852 1.00 0.00 H ATOM 769 H ARG A 79 3.834 -13.838 -26.030 1.00 0.00 H ATOM 770 N LYS A 80 4.469 -18.062 -26.714 1.00 10.56 N ATOM 771 CA LYS A 80 4.282 -19.359 -26.077 1.00 10.71 C ATOM 772 C LYS A 80 5.635 -19.855 -25.674 1.00 9.90 C ATOM 773 O LYS A 80 6.418 -20.265 -26.553 1.00 11.97 O ATOM 774 CB LYS A 80 3.548 -20.346 -26.990 1.00 12.88 C ATOM 775 CG LYS A 80 2.130 -19.916 -27.348 1.00 16.74 C ATOM 776 CD LYS A 80 1.437 -20.897 -28.254 1.00 21.77 C ATOM 777 CE LYS A 80 0.031 -20.476 -28.582 1.00 27.02 C ATOM 778 NZ LYS A 80 -0.591 -21.120 -29.741 1.00 36.81 N ATOM 779 HZ1 LYS A 80 -0.028 -20.918 -30.592 1.00 0.00 H ATOM 780 HZ2 LYS A 80 -0.631 -22.148 -29.585 1.00 0.00 H ATOM 781 HZ3 LYS A 80 -1.555 -20.750 -29.866 1.00 0.00 H ATOM 782 H LYS A 80 4.788 -18.041 -27.704 1.00 0.00 H ATOM 783 N VAL A 81 5.971 -19.757 -24.398 1.00 9.00 N ATOM 784 CA VAL A 81 7.344 -19.970 -23.921 1.00 8.95 C ATOM 785 C VAL A 81 7.416 -21.125 -22.955 1.00 8.51 C ATOM 786 O VAL A 81 6.406 -21.509 -22.355 1.00 9.21 O ATOM 787 CB VAL A 81 7.927 -18.674 -23.314 1.00 9.03 C ATOM 788 CG1 VAL A 81 7.767 -17.495 -24.273 1.00 10.15 C ATOM 789 CG2 VAL A 81 7.280 -18.354 -21.997 1.00 9.80 C ATOM 790 H VAL A 81 5.233 -19.520 -23.705 1.00 0.00 H ATOM 791 N LYS A 82 8.628 -21.656 -22.772 1.00 8.49 N ATOM 792 CA LYS A 82 8.943 -22.586 -21.701 1.00 8.62 C ATOM 793 C LYS A 82 9.724 -21.807 -20.658 1.00 8.43 C ATOM 794 O LYS A 82 10.761 -21.236 -20.953 1.00 9.46 O ATOM 795 CB LYS A 82 9.873 -23.712 -22.277 1.00 9.54 C ATOM 796 CG LYS A 82 9.170 -24.595 -23.315 1.00 10.59 C ATOM 797 CD LYS A 82 8.121 -25.516 -22.765 1.00 11.48 C ATOM 798 CE LYS A 82 7.444 -26.315 -23.833 1.00 11.73 C ATOM 799 NZ LYS A 82 6.476 -27.327 -23.315 1.00 12.58 N ATOM 800 HZ1 LYS A 82 6.976 -27.999 -22.699 1.00 0.00 H ATOM 801 HZ2 LYS A 82 5.731 -26.846 -22.772 1.00 0.00 H ATOM 802 HZ3 LYS A 82 6.050 -27.838 -24.114 1.00 0.00 H ATOM 803 H LYS A 82 9.387 -21.389 -23.431 1.00 0.00 H ATOM 804 N SER A 83 9.154 -21.732 -19.465 1.00 8.37 N ATOM 805 CA SER A 83 9.650 -20.918 -18.387 1.00 8.21 C ATOM 806 C SER A 83 10.158 -21.734 -17.237 1.00 8.05 C ATOM 807 O SER A 83 9.590 -22.753 -16.894 1.00 8.98 O ATOM 808 CB SER A 83 8.542 -20.010 -17.861 1.00 9.07 C ATOM 809 OG SER A 83 8.283 -18.995 -18.818 1.00 10.23 O ATOM 810 HG SER A 83 7.565 -18.402 -18.482 1.00 0.00 H ATOM 811 H SER A 83 8.296 -22.295 -19.297 1.00 0.00 H ATOM 812 N THR A 84 11.211 -21.253 -16.589 1.00 8.63 N ATOM 813 CA THR A 84 11.665 -21.800 -15.334 1.00 9.06 C ATOM 814 C THR A 84 11.987 -20.641 -14.404 1.00 9.14 C ATOM 815 O THR A 84 12.716 -19.720 -14.838 1.00 9.96 O ATOM 816 CB THR A 84 12.938 -22.663 -15.508 1.00 10.90 C ATOM 817 OG1 THR A 84 12.682 -23.639 -16.510 1.00 12.09 O ATOM 818 CG2 THR A 84 13.284 -23.339 -14.230 1.00 14.45 C ATOM 819 HG1 THR A 84 13.487 -24.201 -16.635 1.00 0.00 H ATOM 820 H THR A 84 11.729 -20.451 -17.002 1.00 0.00 H ATOM 821 N ILE A 85 11.551 -20.728 -13.169 1.00 9.75 N ATOM 822 CA ILE A 85 11.802 -19.710 -12.166 1.00 10.05 C ATOM 823 C ILE A 85 12.578 -20.387 -11.009 1.00 10.50 C ATOM 824 O ILE A 85 12.113 -21.421 -10.504 1.00 11.02 O ATOM 825 CB ILE A 85 10.538 -19.004 -11.681 1.00 10.00 C ATOM 826 CG1 ILE A 85 9.855 -18.355 -12.882 1.00 10.04 C ATOM 827 CG2 ILE A 85 10.880 -18.005 -10.592 1.00 10.87 C ATOM 828 CD1 ILE A 85 8.506 -17.751 -12.643 1.00 11.75 C ATOM 829 H ILE A 85 10.999 -21.566 -12.896 1.00 0.00 H ATOM 830 N THR A 86 13.706 -19.821 -10.639 1.00 10.52 N ATOM 831 CA THR A 86 14.595 -20.351 -9.624 1.00 11.38 C ATOM 832 C THR A 86 15.015 -19.252 -8.684 1.00 11.10 C ATOM 833 O THR A 86 14.968 -18.089 -9.036 1.00 13.74 O ATOM 834 CB THR A 86 15.824 -20.976 -10.260 1.00 12.88 C ATOM 835 OG1 THR A 86 16.489 -20.051 -11.031 1.00 15.59 O ATOM 836 CG2 THR A 86 15.572 -22.160 -11.088 1.00 15.88 C ATOM 837 HG1 THR A 86 15.887 -19.725 -11.746 1.00 0.00 H ATOM 838 H THR A 86 13.979 -18.933 -11.106 1.00 0.00 H ATOM 839 N LEU A 87 15.420 -19.580 -7.465 1.00 11.64 N ATOM 840 CA LEU A 87 16.065 -18.626 -6.584 1.00 13.23 C ATOM 841 C LEU A 87 17.569 -18.678 -6.801 1.00 14.45 C ATOM 842 O LEU A 87 18.182 -19.760 -6.775 1.00 20.27 O ATOM 843 CB LEU A 87 15.869 -18.890 -5.129 1.00 15.20 C ATOM 844 CG LEU A 87 14.561 -18.414 -4.541 1.00 16.49 C ATOM 845 CD1 LEU A 87 14.300 -19.140 -3.167 1.00 18.38 C ATOM 846 CD2 LEU A 87 14.544 -16.930 -4.396 1.00 15.61 C ATOM 847 H LEU A 87 15.270 -20.553 -7.130 1.00 0.00 H ATOM 848 N ASP A 88 18.171 -17.513 -6.936 1.00 13.90 N ATOM 849 CA ASP A 88 19.611 -17.336 -6.924 1.00 15.08 C ATOM 850 C ASP A 88 19.880 -16.409 -5.726 1.00 14.36 C ATOM 851 O ASP A 88 19.705 -15.206 -5.816 1.00 15.75 O ATOM 852 CB ASP A 88 20.080 -16.679 -8.233 1.00 18.54 C ATOM 853 CG ASP A 88 21.584 -16.421 -8.277 1.00 24.33 C ATOM 854 OD1 ASP A 88 22.294 -16.878 -7.314 1.00 26.69 O ATOM 855 OD2 ASP A 88 22.099 -15.784 -9.271 1.00 29.02 O ATOM 856 H ASP A 88 17.577 -16.668 -7.059 1.00 0.00 H ATOM 857 N GLY A 89 20.210 -16.994 -4.595 1.00 15.78 N ATOM 858 CA GLY A 89 20.225 -16.321 -3.308 1.00 14.89 C ATOM 859 C GLY A 89 18.814 -15.885 -2.987 1.00 12.52 C ATOM 860 O GLY A 89 17.899 -16.722 -2.779 1.00 14.75 O ATOM 861 H GLY A 89 20.476 -17.999 -4.624 1.00 0.00 H ATOM 862 N GLY A 90 18.589 -14.558 -2.941 1.00 12.06 N ATOM 863 CA GLY A 90 17.292 -14.054 -2.676 1.00 12.83 C ATOM 864 C GLY A 90 16.682 -13.408 -3.899 1.00 12.08 C ATOM 865 O GLY A 90 15.778 -12.630 -3.729 1.00 15.10 O ATOM 866 H GLY A 90 19.375 -13.897 -3.102 1.00 0.00 H ATOM 867 N VAL A 91 17.247 -13.686 -5.086 1.00 12.64 N ATOM 868 CA VAL A 91 16.690 -13.138 -6.347 1.00 11.85 C ATOM 869 C VAL A 91 15.918 -14.245 -7.047 1.00 10.60 C ATOM 870 O VAL A 91 16.428 -15.340 -7.215 1.00 11.82 O ATOM 871 CB VAL A 91 17.837 -12.613 -7.214 1.00 13.04 C ATOM 872 CG1 VAL A 91 17.382 -12.161 -8.646 1.00 13.96 C ATOM 873 CG2 VAL A 91 18.547 -11.475 -6.565 1.00 16.29 C ATOM 874 H VAL A 91 18.089 -14.296 -5.121 1.00 0.00 H ATOM 875 N LEU A 92 14.720 -13.921 -7.511 1.00 10.41 N ATOM 876 CA LEU A 92 13.991 -14.849 -8.354 1.00 10.25 C ATOM 877 C LEU A 92 14.410 -14.631 -9.791 1.00 10.52 C ATOM 878 O LEU A 92 14.331 -13.513 -10.305 1.00 10.78 O ATOM 879 CB LEU A 92 12.503 -14.672 -8.223 1.00 11.23 C ATOM 880 CG LEU A 92 11.815 -15.127 -6.952 1.00 12.09 C ATOM 881 CD1 LEU A 92 10.384 -14.530 -6.839 1.00 14.29 C ATOM 882 CD2 LEU A 92 11.755 -16.675 -6.902 1.00 12.74 C ATOM 883 H LEU A 92 14.302 -13.000 -7.270 1.00 0.00 H ATOM 884 N VAL A 93 14.891 -15.682 -10.441 1.00 9.95 N ATOM 885 CA VAL A 93 15.382 -15.645 -11.824 1.00 9.46 C ATOM 886 C VAL A 93 14.407 -16.437 -12.695 1.00 9.14 C ATOM 887 O VAL A 93 14.189 -17.623 -12.473 1.00 10.43 O ATOM 888 CB VAL A 93 16.784 -16.247 -11.896 1.00 10.36 C ATOM 889 CG1 VAL A 93 17.290 -16.145 -13.346 1.00 13.20 C ATOM 890 CG2 VAL A 93 17.746 -15.544 -10.962 1.00 12.38 C ATOM 891 H VAL A 93 14.922 -16.592 -9.938 1.00 0.00 H ATOM 892 N HIS A 94 13.828 -15.763 -13.682 1.00 9.22 N ATOM 893 CA HIS A 94 12.796 -16.314 -14.560 1.00 8.70 C ATOM 894 C HIS A 94 13.343 -16.318 -15.999 1.00 9.41 C ATOM 895 O HIS A 94 13.631 -15.260 -16.551 1.00 10.04 O ATOM 896 CB HIS A 94 11.574 -15.444 -14.423 1.00 9.13 C ATOM 897 CG HIS A 94 10.367 -15.843 -15.240 1.00 9.75 C ATOM 898 ND1 HIS A 94 9.174 -15.191 -15.054 1.00 12.23 N ATOM 899 CD2 HIS A 94 10.164 -16.788 -16.192 1.00 11.73 C ATOM 900 CE1 HIS A 94 8.304 -15.711 -15.908 1.00 14.28 C ATOM 901 NE2 HIS A 94 8.865 -16.686 -16.579 1.00 13.94 N ATOM 902 H HIS A 94 14.128 -14.780 -13.841 1.00 0.00 H ATOM 903 N VAL A 95 13.578 -17.499 -16.557 1.00 9.23 N ATOM 904 CA VAL A 95 14.073 -17.639 -17.909 1.00 9.17 C ATOM 905 C VAL A 95 12.924 -18.133 -18.768 1.00 8.60 C ATOM 906 O VAL A 95 12.276 -19.111 -18.439 1.00 9.70 O ATOM 907 CB VAL A 95 15.253 -18.583 -17.969 1.00 10.20 C ATOM 908 CG1 VAL A 95 15.768 -18.768 -19.409 1.00 11.81 C ATOM 909 CG2 VAL A 95 16.379 -18.115 -17.046 1.00 12.46 C ATOM 910 H VAL A 95 13.399 -18.359 -16.000 1.00 0.00 H ATOM 911 N GLN A 96 12.693 -17.458 -19.905 1.00 8.40 N ATOM 912 CA GLN A 96 11.682 -17.826 -20.907 1.00 8.40 C ATOM 913 C GLN A 96 12.438 -18.212 -22.197 1.00 8.60 C ATOM 914 O GLN A 96 13.228 -17.415 -22.689 1.00 9.55 O ATOM 915 CB GLN A 96 10.770 -16.682 -21.204 1.00 8.18 C ATOM 916 CG GLN A 96 9.964 -16.185 -20.044 1.00 9.05 C ATOM 917 CD GLN A 96 9.106 -14.997 -20.353 1.00 8.74 C ATOM 918 OE1 GLN A 96 9.437 -14.195 -21.207 1.00 9.84 O ATOM 919 NE2 GLN A 96 7.973 -14.859 -19.648 1.00 10.43 N ATOM 920 HE22 GLN A 96 7.721 -15.563 -18.926 1.00 0.00 H ATOM 921 HE21 GLN A 96 7.347 -14.048 -19.824 1.00 0.00 H ATOM 922 H GLN A 96 13.271 -16.614 -20.091 1.00 0.00 H ATOM 923 N LYS A 97 12.092 -19.369 -22.736 1.00 8.97 N ATOM 924 CA LYS A 97 12.666 -19.850 -23.960 1.00 10.01 C ATOM 925 C LYS A 97 11.603 -20.126 -24.995 1.00 9.38 C ATOM 926 O LYS A 97 10.573 -20.754 -24.714 1.00 9.74 O ATOM 927 CB LYS A 97 13.424 -21.133 -23.723 1.00 10.80 C ATOM 928 CG LYS A 97 14.670 -20.935 -22.798 1.00 12.23 C ATOM 929 CD LYS A 97 15.633 -22.104 -22.731 1.00 14.76 C ATOM 930 CE LYS A 97 15.012 -23.255 -22.155 1.00 14.84 C ATOM 931 NZ LYS A 97 15.893 -24.509 -22.372 1.00 17.49 N ATOM 932 HZ1 LYS A 97 16.023 -24.668 -23.392 1.00 0.00 H ATOM 933 HZ2 LYS A 97 16.819 -24.362 -21.922 1.00 0.00 H ATOM 934 HZ3 LYS A 97 15.427 -25.336 -21.947 1.00 0.00 H ATOM 935 H LYS A 97 11.377 -19.952 -22.255 1.00 0.00 H ATOM 936 N TRP A 98 11.838 -19.692 -26.242 1.00 9.93 N ATOM 937 CA TRP A 98 10.871 -19.889 -27.332 1.00 10.55 C ATOM 938 C TRP A 98 11.632 -19.679 -28.634 1.00 11.17 C ATOM 939 O TRP A 98 12.429 -18.754 -28.741 1.00 11.46 O ATOM 940 CB TRP A 98 9.644 -18.971 -27.251 1.00 10.70 C ATOM 941 CG TRP A 98 9.875 -17.547 -27.583 1.00 10.80 C ATOM 942 CD1 TRP A 98 9.447 -16.930 -28.738 1.00 12.34 C ATOM 943 CD2 TRP A 98 10.689 -16.581 -26.917 1.00 10.74 C ATOM 944 NE1 TRP A 98 9.947 -15.652 -28.838 1.00 11.28 N ATOM 945 CE2 TRP A 98 10.712 -15.419 -27.715 1.00 11.43 C ATOM 946 CE3 TRP A 98 11.394 -16.572 -25.694 1.00 10.23 C ATOM 947 CZ2 TRP A 98 11.418 -14.317 -27.355 1.00 11.34 C ATOM 948 CZ3 TRP A 98 12.111 -15.461 -25.375 1.00 10.86 C ATOM 949 CH2 TRP A 98 12.111 -14.338 -26.168 1.00 11.38 C ATOM 950 HE1 TRP A 98 9.779 -14.984 -29.618 1.00 0.00 H ATOM 951 H TRP A 98 12.732 -19.201 -26.444 1.00 0.00 H ATOM 952 N ASP A 99 11.348 -20.504 -29.654 1.00 12.80 N ATOM 953 CA ASP A 99 11.899 -20.311 -31.008 1.00 14.55 C ATOM 954 C ASP A 99 13.378 -20.097 -30.997 1.00 13.82 C ATOM 955 O ASP A 99 13.905 -19.286 -31.799 1.00 16.09 O ATOM 956 CB ASP A 99 11.187 -19.168 -31.666 1.00 16.45 C ATOM 957 CG ASP A 99 9.734 -19.526 -31.952 1.00 20.10 C ATOM 958 OD1 ASP A 99 9.408 -20.753 -32.084 1.00 27.68 O ATOM 959 OD2 ASP A 99 8.859 -18.617 -32.070 1.00 27.24 O ATOM 960 H ASP A 99 10.715 -21.311 -29.483 1.00 0.00 H ATOM 961 N GLY A 100 14.107 -20.790 -30.127 1.00 14.80 N ATOM 962 CA GLY A 100 15.538 -20.657 -30.015 1.00 15.19 C ATOM 963 C GLY A 100 16.091 -19.392 -29.358 1.00 14.44 C ATOM 964 O GLY A 100 17.298 -19.137 -29.357 1.00 17.72 O ATOM 965 H GLY A 100 13.621 -21.460 -29.497 1.00 0.00 H ATOM 966 N LYS A 101 15.191 -18.568 -28.830 1.00 12.02 N ATOM 967 CA LYS A 101 15.483 -17.294 -28.182 1.00 12.56 C ATOM 968 C LYS A 101 15.293 -17.490 -26.661 1.00 10.95 C ATOM 969 O LYS A 101 14.688 -18.454 -26.199 1.00 11.24 O ATOM 970 CB LYS A 101 14.492 -16.241 -28.682 1.00 12.69 C ATOM 971 CG LYS A 101 14.632 -15.979 -30.163 1.00 15.09 C ATOM 972 CD LYS A 101 13.616 -15.040 -30.668 1.00 18.55 C ATOM 973 CE LYS A 101 13.349 -14.990 -32.148 1.00 22.28 C ATOM 974 NZ LYS A 101 11.942 -14.529 -32.260 1.00 31.08 N ATOM 975 HZ1 LYS A 101 11.317 -15.205 -31.776 1.00 0.00 H ATOM 976 HZ2 LYS A 101 11.849 -13.592 -31.818 1.00 0.00 H ATOM 977 HZ3 LYS A 101 11.677 -14.468 -33.264 1.00 0.00 H ATOM 978 H LYS A 101 14.193 -18.856 -28.884 1.00 0.00 H ATOM 979 N SER A 102 15.850 -16.555 -25.908 1.00 10.48 N ATOM 980 CA SER A 102 15.743 -16.561 -24.467 1.00 10.43 C ATOM 981 C SER A 102 15.733 -15.178 -23.917 1.00 9.68 C ATOM 982 O SER A 102 16.439 -14.303 -24.391 1.00 11.42 O ATOM 983 CB SER A 102 16.969 -17.292 -23.886 1.00 12.04 C ATOM 984 OG SER A 102 16.886 -17.489 -22.481 1.00 13.68 O ATOM 985 HG SER A 102 17.698 -17.961 -22.167 1.00 0.00 H ATOM 986 H SER A 102 16.383 -15.790 -26.369 1.00 0.00 H ATOM 987 N THR A 103 14.890 -14.935 -22.892 1.00 9.74 N ATOM 988 CA THR A 103 14.941 -13.702 -22.140 1.00 8.89 C ATOM 989 C THR A 103 14.975 -14.068 -20.652 1.00 9.08 C ATOM 990 O THR A 103 14.361 -15.060 -20.245 1.00 9.83 O ATOM 991 CB THR A 103 13.777 -12.768 -22.531 1.00 9.25 C ATOM 992 OG1 THR A 103 13.887 -11.517 -21.841 1.00 10.31 O ATOM 993 CG2 THR A 103 12.429 -13.329 -22.216 1.00 9.67 C ATOM 994 HG1 THR A 103 14.744 -11.083 -22.081 1.00 0.00 H ATOM 995 H THR A 103 14.184 -15.655 -22.636 1.00 0.00 H ATOM 996 N THR A 104 15.644 -13.266 -19.858 1.00 9.33 N ATOM 997 CA THR A 104 15.804 -13.474 -18.417 1.00 9.99 C ATOM 998 C THR A 104 15.271 -12.288 -17.664 1.00 9.68 C ATOM 999 O THR A 104 15.630 -11.146 -17.949 1.00 11.25 O ATOM 1000 CB THR A 104 17.279 -13.783 -18.050 1.00 12.01 C ATOM 1001 OG1 THR A 104 17.663 -14.987 -18.711 1.00 12.61 O ATOM 1002 CG2 THR A 104 17.458 -13.982 -16.549 1.00 13.37 C ATOM 1003 HG1 THR A 104 18.604 -15.199 -18.487 1.00 0.00 H ATOM 1004 H THR A 104 16.090 -12.427 -20.280 1.00 0.00 H ATOM 1005 N LEU A 105 14.406 -12.581 -16.691 1.00 9.31 N ATOM 1006 CA LEU A 105 13.676 -11.604 -15.891 1.00 9.74 C ATOM 1007 C LEU A 105 14.061 -11.840 -14.430 1.00 9.47 C ATOM 1008 O LEU A 105 13.807 -12.936 -13.914 1.00 11.87 O ATOM 1009 CB LEU A 105 12.169 -11.806 -16.074 1.00 10.34 C ATOM 1010 CG LEU A 105 11.722 -12.158 -17.518 1.00 11.23 C ATOM 1011 CD1 LEU A 105 10.246 -12.570 -17.499 1.00 13.87 C ATOM 1012 CD2 LEU A 105 12.113 -11.172 -18.533 1.00 12.79 C ATOM 1013 H LEU A 105 14.239 -13.587 -16.487 1.00 0.00 H ATOM 1014 N LYS A 106 14.681 -10.879 -13.776 1.00 9.30 N ATOM 1015 CA LYS A 106 15.111 -11.052 -12.396 1.00 9.95 C ATOM 1016 C LYS A 106 14.288 -10.155 -11.498 1.00 10.52 C ATOM 1017 O LYS A 106 14.103 -8.963 -11.794 1.00 12.47 O ATOM 1018 CB LYS A 106 16.588 -10.720 -12.248 1.00 11.30 C ATOM 1019 CG LYS A 106 17.487 -11.801 -12.943 1.00 12.45 C ATOM 1020 CD LYS A 106 18.952 -11.578 -12.728 1.00 14.43 C ATOM 1021 CE LYS A 106 19.780 -12.606 -13.432 1.00 16.63 C ATOM 1022 NZ LYS A 106 21.158 -12.411 -13.077 1.00 22.70 N ATOM 1023 HZ1 LYS A 106 21.458 -11.458 -13.366 1.00 0.00 H ATOM 1024 HZ2 LYS A 106 21.267 -12.513 -12.048 1.00 0.00 H ATOM 1025 HZ3 LYS A 106 21.743 -13.121 -13.561 1.00 0.00 H ATOM 1026 H LYS A 106 14.868 -9.976 -14.257 1.00 0.00 H ATOM 1027 N ARG A 107 13.813 -10.689 -10.383 1.00 10.50 N ATOM 1028 CA ARG A 107 13.056 -9.937 -9.367 1.00 10.40 C ATOM 1029 C ARG A 107 13.883 -9.893 -8.091 1.00 10.91 C ATOM 1030 O ARG A 107 14.292 -10.911 -7.579 1.00 12.41 O ATOM 1031 CB ARG A 107 11.753 -10.671 -9.083 1.00 11.59 C ATOM 1032 CG ARG A 107 10.748 -10.714 -10.216 1.00 12.45 C ATOM 1033 CD ARG A 107 9.647 -11.690 -9.956 1.00 14.80 C ATOM 1034 NE ARG A 107 8.533 -11.549 -10.873 1.00 16.50 N ATOM 1035 CZ ARG A 107 8.437 -12.209 -12.015 1.00 14.49 C ATOM 1036 NH1 ARG A 107 9.273 -13.139 -12.460 1.00 14.74 N ATOM 1037 NH2 ARG A 107 7.312 -12.030 -12.752 1.00 17.24 N ATOM 1038 HE ARG A 107 7.767 -10.893 -10.619 1.00 0.00 H ATOM 1039 HH12 ARG A 107 9.101 -13.597 -13.378 1.00 0.00 H ATOM 1040 HH11 ARG A 107 10.100 -13.410 -11.891 1.00 0.00 H ATOM 1041 HH22 ARG A 107 7.198 -12.531 -13.656 1.00 0.00 H ATOM 1042 HH21 ARG A 107 6.564 -11.392 -12.413 1.00 0.00 H ATOM 1043 H ARG A 107 13.985 -11.701 -10.214 1.00 0.00 H ATOM 1044 N LYS A 108 14.105 -8.648 -7.597 1.00 11.26 N ATOM 1045 CA LYS A 108 14.885 -8.463 -6.375 1.00 12.88 C ATOM 1046 C LYS A 108 14.165 -7.476 -5.498 1.00 11.88 C ATOM 1047 O LYS A 108 13.472 -6.572 -5.931 1.00 14.16 O ATOM 1048 CB LYS A 108 16.298 -8.078 -6.651 1.00 17.08 C ATOM 1049 CG LYS A 108 16.478 -6.739 -6.983 1.00 18.29 C ATOM 1050 CD LYS A 108 17.998 -6.297 -7.005 1.00 20.82 C ATOM 1051 CE LYS A 108 18.182 -4.880 -7.411 1.00 23.74 C ATOM 1052 NZ LYS A 108 19.697 -4.655 -7.652 1.00 28.26 N ATOM 1053 HZ1 LYS A 108 20.219 -4.852 -6.775 1.00 0.00 H ATOM 1054 HZ2 LYS A 108 20.026 -5.294 -8.404 1.00 0.00 H ATOM 1055 HZ3 LYS A 108 19.858 -3.668 -7.939 1.00 0.00 H ATOM 1056 H LYS A 108 13.717 -7.820 -8.092 1.00 0.00 H ATOM 1057 N ARG A 109 14.340 -7.615 -4.199 1.00 10.57 N ATOM 1058 CA ARG A 109 13.913 -6.609 -3.220 1.00 11.16 C ATOM 1059 C ARG A 109 15.001 -5.610 -2.978 1.00 11.45 C ATOM 1060 O ARG A 109 16.129 -6.000 -2.736 1.00 14.29 O ATOM 1061 CB ARG A 109 13.545 -7.255 -1.889 1.00 12.09 C ATOM 1062 CG ARG A 109 12.270 -8.011 -1.971 1.00 12.90 C ATOM 1063 CD ARG A 109 11.031 -7.134 -2.265 1.00 12.18 C ATOM 1064 NE ARG A 109 11.071 -5.921 -1.426 1.00 11.37 N ATOM 1065 CZ ARG A 109 10.762 -5.869 -0.118 1.00 11.26 C ATOM 1066 NH1 ARG A 109 10.198 -6.918 0.493 1.00 12.42 N ATOM 1067 NH2 ARG A 109 10.967 -4.732 0.582 1.00 13.74 N ATOM 1068 HE ARG A 109 11.362 -5.033 -1.883 1.00 0.00 H ATOM 1069 HH12 ARG A 109 9.964 -6.866 1.505 1.00 0.00 H ATOM 1070 HH11 ARG A 109 9.994 -7.785 -0.044 1.00 0.00 H ATOM 1071 HH22 ARG A 109 10.727 -4.694 1.593 1.00 0.00 H ATOM 1072 HH21 ARG A 109 11.364 -3.895 0.110 1.00 0.00 H ATOM 1073 H ARG A 109 14.803 -8.479 -3.851 1.00 0.00 H ATOM 1074 N GLU A 110 14.650 -4.349 -3.081 1.00 10.70 N ATOM 1075 CA GLU A 110 15.569 -3.244 -2.872 1.00 11.51 C ATOM 1076 C GLU A 110 14.842 -2.157 -2.122 1.00 10.33 C ATOM 1077 O GLU A 110 13.858 -1.600 -2.643 1.00 10.79 O ATOM 1078 CB GLU A 110 16.062 -2.693 -4.191 1.00 13.90 C ATOM 1079 CG GLU A 110 17.187 -1.708 -4.044 1.00 19.07 C ATOM 1080 CD GLU A 110 17.569 -1.155 -5.418 1.00 25.39 C ATOM 1081 OE1 GLU A 110 17.807 -1.970 -6.312 1.00 34.11 O ATOM 1082 OE2 GLU A 110 17.576 0.082 -5.663 1.00 36.48 O ATOM 1083 H GLU A 110 13.663 -4.130 -3.325 1.00 0.00 H ATOM 1084 N ASP A 111 15.271 -1.863 -0.905 1.00 9.89 N ATOM 1085 CA ASP A 111 14.542 -0.971 -0.026 1.00 10.41 C ATOM 1086 C ASP A 111 13.129 -1.494 0.073 1.00 9.20 C ATOM 1087 O ASP A 111 12.948 -2.703 0.260 1.00 10.07 O ATOM 1088 CB ASP A 111 14.684 0.486 -0.485 1.00 11.47 C ATOM 1089 CG ASP A 111 16.109 0.952 -0.469 1.00 14.53 C ATOM 1090 OD1 ASP A 111 16.831 0.585 0.470 1.00 17.31 O ATOM 1091 OD2 ASP A 111 16.450 1.836 -1.333 1.00 19.41 O ATOM 1092 H ASP A 111 16.160 -2.286 -0.569 1.00 0.00 H ATOM 1093 N ASP A 112 12.101 -0.651 -0.063 1.00 10.12 N ATOM 1094 CA ASP A 112 10.726 -1.049 0.000 1.00 10.54 C ATOM 1095 C ASP A 112 10.123 -1.470 -1.362 1.00 10.57 C ATOM 1096 O ASP A 112 8.898 -1.662 -1.479 1.00 14.44 O ATOM 1097 CB ASP A 112 9.875 0.033 0.665 1.00 10.55 C ATOM 1098 CG ASP A 112 10.192 0.218 2.131 1.00 10.61 C ATOM 1099 OD1 ASP A 112 10.509 -0.784 2.799 1.00 13.53 O ATOM 1100 OD2 ASP A 112 10.177 1.380 2.602 1.00 12.02 O ATOM 1101 H ASP A 112 12.312 0.355 -0.224 1.00 0.00 H ATOM 1102 N LYS A 113 10.977 -1.554 -2.359 1.00 9.84 N ATOM 1103 CA LYS A 113 10.555 -1.825 -3.728 1.00 10.47 C ATOM 1104 C LYS A 113 10.793 -3.273 -4.116 1.00 9.64 C ATOM 1105 O LYS A 113 11.651 -3.986 -3.554 1.00 10.05 O ATOM 1106 CB LYS A 113 11.401 -0.934 -4.685 1.00 12.37 C ATOM 1107 CG LYS A 113 11.275 0.549 -4.443 1.00 15.26 C ATOM 1108 CD LYS A 113 12.272 1.359 -5.249 1.00 21.24 C ATOM 1109 CE LYS A 113 13.619 1.516 -4.642 1.00 26.32 C ATOM 1110 NZ LYS A 113 14.535 0.452 -4.830 1.00 29.59 N ATOM 1111 HZ1 LYS A 113 14.142 -0.419 -4.420 1.00 0.00 H ATOM 1112 HZ2 LYS A 113 14.700 0.314 -5.848 1.00 0.00 H ATOM 1113 HZ3 LYS A 113 15.434 0.683 -4.360 1.00 0.00 H ATOM 1114 H LYS A 113 11.990 -1.422 -2.164 1.00 0.00 H ATOM 1115 N LEU A 114 10.122 -3.659 -5.184 1.00 9.70 N ATOM 1116 CA LEU A 114 10.414 -4.879 -5.929 1.00 9.91 C ATOM 1117 C LEU A 114 10.886 -4.401 -7.301 1.00 9.74 C ATOM 1118 O LEU A 114 10.145 -3.694 -7.974 1.00 10.54 O ATOM 1119 CB LEU A 114 9.189 -5.788 -6.008 1.00 11.47 C ATOM 1120 CG LEU A 114 9.397 -7.184 -6.685 1.00 14.20 C ATOM 1121 CD1 LEU A 114 8.207 -8.098 -6.300 1.00 16.05 C ATOM 1122 CD2 LEU A 114 9.603 -7.188 -8.095 1.00 19.08 C ATOM 1123 H LEU A 114 9.339 -3.059 -5.514 1.00 0.00 H ATOM 1124 N VAL A 115 12.115 -4.737 -7.643 1.00 9.88 N ATOM 1125 CA VAL A 115 12.727 -4.245 -8.851 1.00 10.31 C ATOM 1126 C VAL A 115 12.925 -5.432 -9.797 1.00 10.43 C ATOM 1127 O VAL A 115 13.531 -6.445 -9.450 1.00 11.47 O ATOM 1128 CB VAL A 115 14.118 -3.574 -8.532 1.00 11.77 C ATOM 1129 CG1 VAL A 115 14.755 -3.077 -9.803 1.00 14.39 C ATOM 1130 CG2 VAL A 115 13.865 -2.459 -7.494 1.00 13.99 C ATOM 1131 H VAL A 115 12.656 -5.374 -7.024 1.00 0.00 H ATOM 1132 N LEU A 116 12.437 -5.234 -11.035 1.00 10.23 N ATOM 1133 CA LEU A 116 12.576 -6.260 -12.077 1.00 10.42 C ATOM 1134 C LEU A 116 13.586 -5.792 -13.135 1.00 9.86 C ATOM 1135 O LEU A 116 13.499 -4.649 -13.607 1.00 11.94 O ATOM 1136 CB LEU A 116 11.247 -6.511 -12.770 1.00 10.68 C ATOM 1137 CG LEU A 116 10.378 -7.595 -12.213 1.00 12.02 C ATOM 1138 CD1 LEU A 116 9.879 -7.158 -10.785 1.00 12.65 C ATOM 1139 CD2 LEU A 116 9.233 -7.943 -13.084 1.00 16.64 C ATOM 1140 H LEU A 116 11.954 -4.340 -11.258 1.00 0.00 H ATOM 1141 N GLU A 117 14.519 -6.666 -13.470 1.00 10.38 N ATOM 1142 CA GLU A 117 15.486 -6.452 -14.523 1.00 11.15 C ATOM 1143 C GLU A 117 15.131 -7.433 -15.638 1.00 10.59 C ATOM 1144 O GLU A 117 15.123 -8.635 -15.416 1.00 11.84 O ATOM 1145 CB GLU A 117 16.899 -6.740 -14.025 1.00 12.85 C ATOM 1146 CG GLU A 117 18.000 -6.575 -15.096 1.00 15.31 C ATOM 1147 CD GLU A 117 19.316 -7.325 -14.861 1.00 20.84 C ATOM 1148 OE1 GLU A 117 19.371 -8.559 -14.769 1.00 26.49 O ATOM 1149 OE2 GLU A 117 20.325 -6.637 -14.837 1.00 27.04 O ATOM 1150 H GLU A 117 14.560 -7.562 -12.944 1.00 0.00 H ATOM 1151 N LEU A 118 14.872 -6.924 -16.837 1.00 10.17 N ATOM 1152 CA LEU A 118 14.460 -7.741 -17.993 1.00 10.37 C ATOM 1153 C LEU A 118 15.505 -7.615 -19.051 1.00 10.31 C ATOM 1154 O LEU A 118 15.839 -6.475 -19.458 1.00 11.86 O ATOM 1155 CB LEU A 118 13.141 -7.282 -18.580 1.00 10.58 C ATOM 1156 CG LEU A 118 12.047 -6.936 -17.573 1.00 11.74 C ATOM 1157 CD1 LEU A 118 10.712 -6.650 -18.272 1.00 14.23 C ATOM 1158 CD2 LEU A 118 11.925 -8.001 -16.501 1.00 13.37 C ATOM 1159 H LEU A 118 14.965 -5.896 -16.967 1.00 0.00 H ATOM 1160 N VAL A 119 16.041 -8.726 -19.510 1.00 10.03 N ATOM 1161 CA VAL A 119 17.133 -8.678 -20.475 1.00 10.57 C ATOM 1162 C VAL A 119 16.786 -9.514 -21.677 1.00 9.61 C ATOM 1163 O VAL A 119 16.434 -10.707 -21.550 1.00 10.06 O ATOM 1164 CB VAL A 119 18.470 -9.215 -19.855 1.00 11.63 C ATOM 1165 CG1 VAL A 119 19.599 -9.216 -20.949 1.00 14.97 C ATOM 1166 CG2 VAL A 119 18.839 -8.350 -18.677 1.00 13.10 C ATOM 1167 H VAL A 119 15.683 -9.646 -19.182 1.00 0.00 H ATOM 1168 N MET A 120 16.890 -8.942 -22.850 1.00 10.69 N ATOM 1169 CA MET A 120 16.747 -9.641 -24.116 1.00 10.72 C ATOM 1170 C MET A 120 17.869 -9.146 -25.015 1.00 11.20 C ATOM 1171 O MET A 120 17.924 -7.962 -25.312 1.00 12.53 O ATOM 1172 CB MET A 120 15.372 -9.321 -24.787 1.00 11.44 C ATOM 1173 CG MET A 120 15.189 -9.924 -26.171 1.00 12.17 C ATOM 1174 SD MET A 120 15.237 -11.694 -26.115 1.00 12.54 S ATOM 1175 CE MET A 120 14.925 -12.086 -27.827 1.00 13.52 C ATOM 1176 H MET A 120 17.088 -7.921 -22.878 1.00 0.00 H ATOM 1177 N LYS A 121 18.731 -10.068 -25.416 1.00 13.55 N ATOM 1178 CA LYS A 121 19.912 -9.753 -26.227 1.00 14.71 C ATOM 1179 C LYS A 121 20.665 -8.598 -25.520 1.00 15.18 C ATOM 1180 O LYS A 121 21.002 -8.711 -24.358 1.00 16.42 O ATOM 1181 CB LYS A 121 19.482 -9.522 -27.669 1.00 16.53 C ATOM 1182 CG LYS A 121 18.911 -10.777 -28.296 1.00 20.42 C ATOM 1183 CD LYS A 121 18.728 -10.711 -29.791 1.00 24.89 C ATOM 1184 CE LYS A 121 17.583 -9.869 -30.208 1.00 29.10 C ATOM 1185 NZ LYS A 121 17.818 -9.246 -31.593 1.00 36.80 N ATOM 1186 HZ1 LYS A 121 18.671 -8.652 -31.564 1.00 0.00 H ATOM 1187 HZ2 LYS A 121 17.944 -10.003 -32.295 1.00 0.00 H ATOM 1188 HZ3 LYS A 121 16.997 -8.663 -31.853 1.00 0.00 H ATOM 1189 H LYS A 121 18.563 -11.058 -25.144 1.00 0.00 H ATOM 1190 N GLY A 122 20.952 -7.523 -26.246 1.00 15.60 N ATOM 1191 CA GLY A 122 21.664 -6.385 -25.590 1.00 16.52 C ATOM 1192 C GLY A 122 20.836 -5.424 -24.784 1.00 15.10 C ATOM 1193 O GLY A 122 21.370 -4.405 -24.406 1.00 18.46 O ATOM 1194 H GLY A 122 20.686 -7.475 -27.250 1.00 0.00 H ATOM 1195 N VAL A 123 19.525 -5.656 -24.643 1.00 12.35 N ATOM 1196 CA VAL A 123 18.671 -4.638 -24.063 1.00 12.42 C ATOM 1197 C VAL A 123 18.291 -5.040 -22.646 1.00 12.56 C ATOM 1198 O VAL A 123 17.797 -6.154 -22.429 1.00 12.90 O ATOM 1199 CB VAL A 123 17.419 -4.476 -24.917 1.00 14.75 C ATOM 1200 CG1 VAL A 123 16.442 -3.534 -24.203 1.00 15.99 C ATOM 1201 CG2 VAL A 123 17.754 -4.034 -26.317 1.00 17.30 C ATOM 1202 H VAL A 123 19.120 -6.564 -24.949 1.00 0.00 H ATOM 1203 N THR A 124 18.484 -4.119 -21.718 1.00 12.68 N ATOM 1204 CA THR A 124 18.035 -4.254 -20.354 1.00 13.76 C ATOM 1205 C THR A 124 16.992 -3.210 -20.020 1.00 12.94 C ATOM 1206 O THR A 124 17.223 -2.032 -20.226 1.00 15.12 O ATOM 1207 CB THR A 124 19.183 -4.093 -19.347 1.00 15.95 C ATOM 1208 OG1 THR A 124 20.194 -5.070 -19.615 1.00 17.19 O ATOM 1209 CG2 THR A 124 18.739 -4.193 -17.930 1.00 16.28 C ATOM 1210 HG1 THR A 124 20.540 -4.942 -20.534 1.00 0.00 H ATOM 1211 H THR A 124 18.987 -3.249 -21.986 1.00 0.00 H ATOM 1212 N CYS A 125 15.885 -3.651 -19.470 1.00 11.27 N ATOM 1213 CA CYS A 125 14.785 -2.846 -18.965 1.00 10.34 C ATOM 1214 C CYS A 125 14.648 -3.044 -17.448 1.00 10.04 C ATOM 1215 O CYS A 125 14.845 -4.139 -16.960 1.00 10.92 O ATOM 1216 CB CYS A 125 13.482 -3.225 -19.720 1.00 11.26 C ATOM 1217 SG CYS A 125 11.934 -2.831 -18.916 1.00 11.15 S ATOM 1218 H CYS A 125 15.784 -4.683 -19.387 1.00 0.00 H ATOM 1219 N THR A 126 14.280 -1.960 -16.763 1.00 9.92 N ATOM 1220 CA THR A 126 13.985 -2.013 -15.340 1.00 9.38 C ATOM 1221 C THR A 126 12.590 -1.590 -15.090 1.00 9.39 C ATOM 1222 O THR A 126 12.192 -0.549 -15.578 1.00 13.10 O ATOM 1223 CB THR A 126 15.006 -1.149 -14.538 1.00 11.09 C ATOM 1224 OG1 THR A 126 16.335 -1.555 -14.860 1.00 12.82 O ATOM 1225 CG2 THR A 126 14.833 -1.319 -13.052 1.00 13.03 C ATOM 1226 HG1 THR A 126 16.454 -2.509 -14.624 1.00 0.00 H ATOM 1227 H THR A 126 14.202 -1.050 -17.261 1.00 0.00 H ATOM 1228 N ARG A 127 11.843 -2.365 -14.303 1.00 8.98 N ATOM 1229 CA ARG A 127 10.465 -2.071 -13.912 1.00 9.43 C ATOM 1230 C ARG A 127 10.462 -2.071 -12.384 1.00 8.84 C ATOM 1231 O ARG A 127 10.890 -3.046 -11.785 1.00 10.93 O ATOM 1232 CB ARG A 127 9.512 -3.136 -14.493 1.00 11.03 C ATOM 1233 CG ARG A 127 9.643 -3.434 -15.946 1.00 13.94 C ATOM 1234 CD ARG A 127 8.604 -2.796 -16.763 1.00 14.49 C ATOM 1235 NE ARG A 127 7.244 -3.372 -16.668 1.00 11.92 N ATOM 1236 CZ ARG A 127 6.167 -2.789 -17.216 1.00 11.20 C ATOM 1237 NH1 ARG A 127 6.306 -1.618 -17.749 1.00 11.42 N ATOM 1238 NH2 ARG A 127 4.991 -3.426 -17.218 1.00 12.08 N ATOM 1239 HE ARG A 127 7.118 -4.267 -16.154 1.00 0.00 H ATOM 1240 HH12 ARG A 127 5.488 -1.143 -18.181 1.00 0.00 H ATOM 1241 HH11 ARG A 127 7.236 -1.152 -17.745 1.00 0.00 H ATOM 1242 HH22 ARG A 127 4.156 -2.975 -17.643 1.00 0.00 H ATOM 1243 HH21 ARG A 127 4.912 -4.373 -16.795 1.00 0.00 H ATOM 1244 H ARG A 127 12.271 -3.241 -13.941 1.00 0.00 H ATOM 1245 N VAL A 128 9.934 -1.005 -11.801 1.00 9.27 N ATOM 1246 CA VAL A 128 9.943 -0.828 -10.348 1.00 9.51 C ATOM 1247 C VAL A 128 8.536 -0.849 -9.820 1.00 9.71 C ATOM 1248 O VAL A 128 7.675 -0.135 -10.364 1.00 10.03 O ATOM 1249 CB VAL A 128 10.662 0.505 -9.985 1.00 11.61 C ATOM 1250 CG1 VAL A 128 10.667 0.694 -8.459 1.00 14.36 C ATOM 1251 CG2 VAL A 128 12.100 0.549 -10.537 1.00 13.57 C ATOM 1252 H VAL A 128 9.499 -0.270 -12.395 1.00 0.00 H ATOM 1253 N TYR A 129 8.364 -1.597 -8.750 1.00 9.42 N ATOM 1254 CA TYR A 129 7.053 -1.762 -8.102 1.00 9.11 C ATOM 1255 C TYR A 129 7.098 -1.364 -6.639 1.00 9.85 C ATOM 1256 O TYR A 129 8.163 -1.563 -5.989 1.00 10.43 O ATOM 1257 CB TYR A 129 6.645 -3.238 -8.162 1.00 9.60 C ATOM 1258 CG TYR A 129 6.411 -3.746 -9.562 1.00 10.22 C ATOM 1259 CD1 TYR A 129 7.470 -4.128 -10.384 1.00 10.99 C ATOM 1260 CD2 TYR A 129 5.145 -3.938 -10.040 1.00 10.91 C ATOM 1261 CE1 TYR A 129 7.211 -4.557 -11.710 1.00 11.84 C ATOM 1262 CE2 TYR A 129 4.898 -4.380 -11.325 1.00 12.52 C ATOM 1263 CZ TYR A 129 5.943 -4.684 -12.143 1.00 12.53 C ATOM 1264 OH TYR A 129 5.728 -5.113 -13.441 1.00 17.28 O ATOM 1265 HH TYR A 129 6.599 -5.285 -13.879 1.00 0.00 H ATOM 1266 H TYR A 129 9.186 -2.090 -8.347 1.00 0.00 H ATOM 1267 N GLU A 130 5.988 -0.859 -6.138 1.00 9.95 N ATOM 1268 CA GLU A 130 5.831 -0.559 -4.724 1.00 10.41 C ATOM 1269 C GLU A 130 4.640 -1.316 -4.202 1.00 10.36 C ATOM 1270 O GLU A 130 3.778 -1.775 -4.944 1.00 10.83 O ATOM 1271 CB GLU A 130 5.690 0.945 -4.498 1.00 14.26 C ATOM 1272 CG GLU A 130 7.097 1.634 -4.676 1.00 18.17 C ATOM 1273 CD GLU A 130 7.124 3.128 -4.581 1.00 21.70 C ATOM 1274 OE1 GLU A 130 6.042 3.738 -4.454 1.00 30.63 O ATOM 1275 OE2 GLU A 130 8.240 3.703 -4.695 1.00 36.08 O ATOM 1276 H GLU A 130 5.193 -0.667 -6.780 1.00 0.00 H ATOM 1277 N ARG A 131 4.590 -1.459 -2.871 1.00 11.18 N ATOM 1278 CA ARG A 131 3.479 -2.164 -2.293 1.00 11.68 C ATOM 1279 C ARG A 131 2.164 -1.434 -2.560 1.00 12.59 C ATOM 1280 O ARG A 131 2.093 -0.194 -2.467 1.00 14.63 O ATOM 1281 CB ARG A 131 3.676 -2.367 -0.793 1.00 14.06 C ATOM 1282 CG ARG A 131 4.783 -3.365 -0.481 1.00 17.40 C ATOM 1283 CD ARG A 131 4.644 -4.033 0.859 1.00 18.59 C ATOM 1284 NE ARG A 131 5.728 -4.986 1.020 1.00 20.21 N ATOM 1285 CZ ARG A 131 5.710 -6.305 0.791 1.00 16.34 C ATOM 1286 NH1 ARG A 131 4.636 -6.974 0.344 1.00 17.61 N ATOM 1287 NH2 ARG A 131 6.766 -6.988 1.093 1.00 18.63 N ATOM 1288 HE ARG A 131 6.631 -4.595 1.355 1.00 0.00 H ATOM 1289 HH12 ARG A 131 4.691 -8.001 0.187 1.00 0.00 H ATOM 1290 HH11 ARG A 131 3.749 -6.466 0.154 1.00 0.00 H ATOM 1291 HH22 ARG A 131 6.786 -8.015 0.928 1.00 0.00 H ATOM 1292 HH21 ARG A 131 7.595 -6.511 1.501 1.00 0.00 H ATOM 1293 H ARG A 131 5.341 -1.067 -2.267 1.00 0.00 H ATOM 1294 N ALA A 132 1.086 -2.205 -2.735 1.00 17.12 N ATOM 1295 CA ALA A 132 -0.282 -1.679 -2.947 1.00 24.34 C ATOM 1296 C ALA A 132 -1.234 -2.275 -1.898 1.00 31.53 C ATOM 1297 O ALA A 132 -1.032 -3.401 -1.368 1.00 30.45 O ATOM 1298 CB ALA A 132 -0.753 -2.033 -4.310 1.00 25.29 C ATOM 1299 H ALA A 132 1.216 -3.237 -2.721 1.00 0.00 H TER 1300 ALA A 132 HETATM 1301 O HOH 1 11.171 2.842 -32.150 1.00 17.33 O HETATM 1302 O HOH 2 19.974 -12.008 -2.778 1.00 19.48 O HETATM 1303 O HOH 3 1.068 1.497 -4.667 1.00 31.28 O HETATM 1304 O HOH 4 11.562 -19.728 -0.628 1.00 20.65 O HETATM 1305 O HOH 5 16.828 3.658 -25.388 1.00 30.30 O HETATM 1306 O HOH 6 6.181 -17.424 1.199 1.00 34.34 O HETATM 1307 O HOH 7 1.467 -6.910 -33.234 1.00 31.17 O HETATM 1308 O HOH 8 3.070 -9.743 -14.293 1.00 26.37 O HETATM 1309 O HOH 9 12.344 -13.347 2.391 1.00 25.91 O HETATM 1310 O HOH 10 0.568 -3.990 0.517 1.00 29.96 O HETATM 1311 O HOH 11 24.017 -16.452 -5.489 1.00 31.81 O HETATM 1312 O HOH 12 6.188 -9.704 1.916 1.00 22.94 O HETATM 1313 O HOH 13 -1.064 -19.580 1.279 1.00 33.94 O HETATM 1314 O HOH 14 -4.096 -7.190 -2.541 1.00 18.50 O HETATM 1315 O HOH 15 2.685 -14.347 -18.215 1.00 22.33 O HETATM 1316 O HOH 16 5.894 2.433 -27.526 1.00 20.38 O HETATM 1317 O HOH 17 0.201 -17.108 -28.887 1.00 34.85 O HETATM 1318 O HOH 18 8.931 2.784 -30.390 1.00 18.35 O HETATM 1319 O HOH 19 6.604 -19.530 -31.094 1.00 31.30 O HETATM 1320 O HOH 20 7.803 -3.395 0.762 1.00 32.36 O HETATM 1321 O HOH 21 9.540 -16.094 -32.368 1.00 35.02 O HETATM 1322 O HOH 22 10.101 3.824 1.632 1.00 37.81 O HETATM 1323 O HOH 23 6.637 -0.337 -1.211 1.00 15.25 O HETATM 1324 O HOH 24 -2.954 -20.183 -10.783 1.00 19.53 O HETATM 1325 O HOH 25 -2.813 -19.711 -15.486 1.00 23.33 O HETATM 1326 O HOH 26 17.506 6.289 -17.372 1.00 18.76 O HETATM 1327 O HOH 27 21.863 -4.626 -21.633 1.00 18.58 O HETATM 1328 O HOH 28 -3.824 -11.011 -27.452 1.00 33.85 O HETATM 1329 O HOH 29 9.909 -14.492 6.553 1.00 20.54 O HETATM 1330 O HOH 30 3.692 -29.146 -21.822 1.00 15.17 O HETATM 1331 O HOH 31 -6.731 -15.915 -13.617 1.00 25.14 O HETATM 1332 O HOH 32 -7.903 -11.460 -13.113 1.00 21.15 O HETATM 1333 O HOH 33 12.641 -28.110 -8.686 1.00 29.18 O HETATM 1334 O HOH 34 6.671 -18.918 4.320 1.00 21.81 O HETATM 1335 O HOH 35 -0.228 5.813 -18.029 1.00 14.49 O HETATM 1336 O HOH 36 9.695 -29.245 -19.759 1.00 19.88 O HETATM 1337 O HOH 37 5.781 -12.951 3.294 1.00 22.87 O HETATM 1338 O HOH 38 8.757 -23.752 -5.064 1.00 12.93 O HETATM 1339 O HOH 39 17.253 -0.627 -17.350 1.00 17.48 O HETATM 1340 O HOH 40 0.640 -15.766 -18.435 1.00 19.89 O HETATM 1341 O HOH 41 10.965 4.416 -9.516 1.00 32.77 O HETATM 1342 O HOH 42 -1.144 -14.684 -6.306 1.00 14.94 O HETATM 1343 O HOH 43 5.914 2.575 -16.316 1.00 20.78 O HETATM 1344 O HOH 44 1.548 3.517 -10.169 1.00 25.86 O HETATM 1345 O HOH 45 14.889 -26.068 -20.409 1.00 16.58 O HETATM 1346 O HOH 46 17.609 -3.564 -13.581 1.00 32.52 O HETATM 1347 O HOH 47 0.102 -20.593 -4.988 1.00 14.19 O HETATM 1348 O HOH 48 6.116 -13.301 -17.066 1.00 21.35 O HETATM 1349 O HOH 49 17.789 -10.362 -16.017 1.00 18.78 O HETATM 1350 O HOH 50 5.448 -22.439 1.706 1.00 26.77 O HETATM 1351 O HOH 51 -1.195 -18.816 -3.482 1.00 22.18 O HETATM 1352 O HOH 52 18.365 -19.647 -21.783 1.00 21.06 O HETATM 1353 O HOH 53 4.895 6.390 -10.327 1.00 33.96 O HETATM 1354 O HOH 54 17.903 0.082 -24.139 1.00 10.97 O HETATM 1355 O HOH 55 20.214 -6.394 -28.837 1.00 22.87 O HETATM 1356 O HOH 56 13.584 -29.288 -13.011 1.00 18.90 O HETATM 1357 O HOH 57 18.210 3.846 -22.844 1.00 22.19 O HETATM 1358 O HOH 58 12.343 2.973 -27.928 1.00 27.79 O HETATM 1359 O HOH 59 18.261 -1.207 1.933 1.00 19.95 O HETATM 1360 O HOH 60 18.592 -12.955 -25.366 1.00 16.90 O HETATM 1361 O HOH 61 4.816 -23.480 -23.924 1.00 16.09 O HETATM 1362 O HOH 62 -2.919 -1.884 -6.366 1.00 31.89 O HETATM 1363 O HOH 63 19.703 -16.590 -17.878 1.00 22.05 O HETATM 1364 O HOH 64 3.409 2.460 -17.561 1.00 17.11 O HETATM 1365 O HOH 65 -3.101 1.183 -22.122 1.00 9.17 O HETATM 1366 O HOH 66 10.988 -5.703 -33.498 1.00 36.80 O HETATM 1367 O HOH 67 7.159 -5.993 -15.595 1.00 13.94 O HETATM 1368 O HOH 68 5.899 -13.265 -14.737 1.00 21.20 O HETATM 1369 O HOH 69 -1.202 -11.889 -30.690 1.00 31.23 O HETATM 1370 O HOH 70 19.127 -21.045 -30.077 1.00 32.71 O HETATM 1371 O HOH 71 6.364 -25.326 -12.188 1.00 9.76 O HETATM 1372 O HOH 72 3.387 1.827 -1.133 1.00 28.78 O HETATM 1373 O HOH 73 10.198 -3.517 2.921 1.00 18.16 O HETATM 1374 O HOH 74 5.749 1.679 -25.183 1.00 28.60 O HETATM 1375 O HOH 75 5.692 -28.548 -25.647 1.00 31.61 O HETATM 1376 O HOH 76 9.259 -11.452 -21.194 1.00 12.07 O HETATM 1377 O HOH 77 16.898 2.274 2.639 1.00 16.81 O HETATM 1378 O HOH 78 21.605 -6.185 -17.534 1.00 33.25 O HETATM 1379 O HOH 79 -1.074 -7.800 -0.084 1.00 21.38 O HETATM 1380 O HOH 80 -4.349 -7.438 -27.473 1.00 35.09 O HETATM 1381 O HOH 81 15.101 4.972 -14.377 1.00 32.39 O HETATM 1382 O HOH 82 6.517 -10.658 -29.224 1.00 14.43 O HETATM 1383 O HOH 83 -0.643 -9.295 -26.917 1.00 19.59 O HETATM 1384 O HOH 84 21.782 -11.125 -23.275 1.00 24.14 O HETATM 1385 O HOH 85 -6.321 -19.636 -10.170 1.00 27.21 O HETATM 1386 O HOH 86 14.359 -25.829 -16.298 1.00 18.24 O HETATM 1387 O HOH 87 12.027 -13.329 -11.832 1.00 11.93 O HETATM 1388 O HOH 88 0.470 -4.625 -32.017 1.00 17.88 O HETATM 1389 O HOH 89 15.497 -26.023 -13.633 1.00 19.25 O HETATM 1390 O HOH 90 6.866 -21.173 -29.136 1.00 21.27 O HETATM 1391 O HOH 91 18.816 -5.327 -2.569 1.00 16.42 O HETATM 1392 O HOH 92 -3.233 1.625 -19.418 1.00 10.04 O HETATM 1393 O HOH 93 -7.273 -16.382 -9.564 1.00 26.14 O HETATM 1394 O HOH 94 18.404 -19.296 -1.859 1.00 19.86 O HETATM 1395 O HOH 95 15.390 -21.103 -26.691 1.00 19.11 O HETATM 1396 O HOH 96 15.785 -24.981 -25.115 1.00 33.02 O HETATM 1397 O HOH 97 3.411 -1.182 -18.425 1.00 11.18 O HETATM 1398 O HOH 98 16.082 -9.850 -3.502 1.00 15.37 O HETATM 1399 O HOH 99 20.166 -3.927 -14.203 1.00 29.24 O HETATM 1400 O HOH 100 15.155 -2.769 -29.162 1.00 18.32 O HETATM 1401 O HOH 101 12.824 -22.656 -19.186 1.00 14.36 O HETATM 1402 O HOH 102 -1.759 -7.278 -28.331 1.00 20.81 O HETATM 1403 O HOH 103 12.829 -11.440 -30.760 1.00 25.75 O HETATM 1404 O HOH 104 18.236 0.482 -14.125 1.00 24.86 O HETATM 1405 O HOH 105 5.642 1.323 -19.068 1.00 25.87 O HETATM 1406 O HOH 106 2.033 -10.220 -17.580 1.00 19.02 O HETATM 1407 O HOH 107 12.828 -21.912 5.007 1.00 21.05 O HETATM 1408 O HOH 108 6.500 -10.860 -33.185 1.00 29.66 O HETATM 1409 O HOH 109 9.736 -22.775 -12.354 1.00 9.99 O HETATM 1410 O HOH 110 4.641 -11.153 -12.821 1.00 31.86 O HETATM 1411 O HOH 111 12.210 -27.043 -22.854 1.00 22.01 O HETATM 1412 O HOH 112 -8.266 -6.041 -14.821 1.00 19.91 O HETATM 1413 O HOH 113 1.138 -12.987 -14.030 1.00 20.25 O HETATM 1414 O HOH 114 15.491 -19.987 -13.676 1.00 13.47 O HETATM 1415 O HOH 115 6.506 6.550 -13.807 1.00 31.89 O HETATM 1416 O HOH 116 -2.370 -15.899 -26.869 1.00 33.42 O HETATM 1417 O HOH 117 -9.923 -13.269 -11.332 1.00 33.97 O HETATM 1418 O HOH 118 3.120 -6.206 -13.672 1.00 21.84 O HETATM 1419 O HOH 119 3.761 -24.890 -13.141 1.00 9.92 O HETATM 1420 O HOH 120 12.870 4.524 -20.657 1.00 22.13 O HETATM 1421 O HOH 121 8.951 -5.143 -32.893 1.00 23.22 O HETATM 1422 O HOH 122 11.502 -29.041 -14.967 1.00 20.41 O HETATM 1423 O HOH 123 -5.996 -5.364 -9.531 1.00 30.13 O HETATM 1424 O HOH 124 3.146 3.898 -24.153 1.00 15.23 O HETATM 1425 O HOH 125 0.662 -18.606 -18.955 1.00 17.92 O HETATM 1426 O HOH 126 -4.698 -17.083 -7.692 1.00 25.29 O HETATM 1427 O HOH 127 8.321 -29.302 -22.359 1.00 17.22 O HETATM 1428 O HOH 128 6.142 -30.091 -13.540 1.00 30.07 O HETATM 1429 O HOH 129 3.245 8.261 -30.518 1.00 32.66 O HETATM 1430 O HOH 130 2.965 -27.635 -2.262 1.00 16.03 O HETATM 1431 O HOH 131 9.255 -22.438 -29.228 1.00 17.86 O HETATM 1432 O HOH 132 9.848 -22.865 7.319 1.00 32.52 O HETATM 1433 O HOH 133 11.487 -26.643 -5.681 1.00 23.57 O HETATM 1434 O HOH 134 13.924 0.879 -34.317 1.00 29.72 O HETATM 1435 O HOH 135 4.568 -2.995 -35.583 1.00 22.03 O HETATM 1436 O HOH 136 14.171 3.412 -2.157 1.00 22.43 O HETATM 1437 O HOH 137 3.359 -13.306 -30.081 1.00 22.25 O HETATM 1438 O HOH 138 -5.252 -0.525 -21.835 1.00 19.24 O HETATM 1439 O HOH 139 -3.952 -20.612 -1.751 1.00 23.56 O HETATM 1440 O HOH 140 1.831 -6.196 -0.166 1.00 22.47 O HETATM 1441 O HOH 141 3.554 -11.795 -19.427 1.00 18.66 O HETATM 1442 O HOH 142 9.278 -7.571 3.174 1.00 32.02 O HETATM 1443 O HOH 143 9.685 -13.256 -30.469 1.00 23.30 O HETATM 1444 O HOH 144 0.974 -16.060 0.215 1.00 14.90 O HETATM 1445 O HOH 145 -6.574 -10.386 -20.349 1.00 20.17 O HETATM 1446 O HOH 146 2.985 -21.663 -23.747 1.00 20.13 O HETATM 1447 O HOH 147 4.991 -15.437 2.915 1.00 25.73 O HETATM 1448 O HOH 148 12.659 2.169 -24.395 1.00 15.89 O HETATM 1449 O HOH 149 19.540 -1.543 -22.589 1.00 15.76 O HETATM 1450 O HOH 150 6.912 -23.060 -25.867 1.00 19.40 O HETATM 1451 O HOH 151 10.005 2.798 -22.774 1.00 23.18 O HETATM 1452 O HOH 152 15.279 -22.420 -6.788 1.00 21.26 O HETATM 1453 O HOH 153 16.264 -18.032 -33.008 1.00 35.37 O HETATM 1454 O HOH 154 11.289 -23.320 -25.943 1.00 17.77 O HETATM 1455 O HOH 155 -1.669 -12.889 -23.380 1.00 33.88 O HETATM 1456 O HOH 156 -1.382 -14.356 -21.407 1.00 32.19 O HETATM 1457 O HOH 157 -3.449 -16.526 -3.087 1.00 28.52 O HETATM 1458 O HOH 158 6.708 4.987 -27.507 1.00 24.19 O HETATM 1459 O HOH 159 4.995 -7.511 -34.385 1.00 34.73 O HETATM 1460 O HOH 160 5.157 -17.825 -29.569 1.00 20.50 O HETATM 1461 O HOH 161 -3.779 -2.215 -12.668 1.00 24.71 O HETATM 1462 O HOH 162 11.968 2.148 -1.013 1.00 14.75 O HETATM 1463 O HOH 163 12.181 2.066 -13.682 1.00 19.60 O HETATM 1464 O HOH 164 20.971 -13.172 -10.216 1.00 33.35 O HETATM 1465 O HOH 165 -5.336 -12.212 -13.606 1.00 19.02 O HETATM 1466 O HOH 166 8.348 5.399 -15.731 1.00 30.44 O HETATM 1467 O HOH 167 22.608 -7.332 -22.262 1.00 25.67 O HETATM 1468 O HOH 168 17.573 -14.691 -27.488 1.00 17.78 O HETATM 1469 O HOH 169 -1.878 -15.953 -17.977 1.00 31.89 O HETATM 1470 O HOH 170 2.419 -20.188 2.362 1.00 25.93 O HETATM 1471 O HOH 171 19.379 -19.281 -11.319 1.00 38.63 O HETATM 1472 O HOH 172 13.306 -22.556 -27.828 1.00 16.85 O HETATM 1473 O HOH 173 12.124 -14.636 4.994 1.00 26.29 O HETATM 1474 O HOH 174 16.387 -6.781 -10.400 1.00 21.44 O HETATM 1475 O HOH 175 21.924 -13.276 -6.542 1.00 33.37 O HETATM 1476 O HOH 176 15.268 -1.455 -31.543 1.00 38.17 O HETATM 1477 O HOH 177 6.520 -12.184 -19.656 1.00 19.37 O HETATM 1478 O HOH 178 10.231 2.476 -20.107 1.00 16.30 O HETATM 1479 O HOH 179 19.218 2.880 -19.041 1.00 15.75 O HETATM 1480 O HOH 180 5.118 1.930 -30.071 1.00 18.01 O HETATM 1481 O HOH 181 5.858 -26.839 1.232 1.00 33.11 O HETATM 1482 O HOH 182 14.145 -29.631 -10.310 1.00 25.60 O HETATM 1483 O HOH 183 -3.946 -8.863 -9.392 1.00 32.09 O HETATM 1484 O HOH 184 -4.141 -16.329 -17.079 1.00 26.37 O HETATM 1485 O HOH 185 7.578 -3.067 2.660 1.00 29.78 O HETATM 1486 O HOH 186 18.217 -16.867 -31.317 1.00 34.14 O HETATM 1487 O HOH 187 20.036 -3.825 -4.643 1.00 31.68 O HETATM 1488 O HOH 188 22.582 -14.421 -15.040 1.00 32.71 O HETATM 1489 O HOH 189 -8.568 -11.445 -18.797 1.00 37.66 O HETATM 1490 O HOH 190 4.363 -21.560 5.834 1.00 39.37 O HETATM 1491 O HOH 191 15.827 -11.733 -0.657 1.00 30.22 O HETATM 1492 O HOH 192 0.241 5.884 -15.406 1.00 29.99 O HETATM 1493 O HOH 193 6.504 6.506 -31.092 1.00 30.79 O HETATM 1494 O HOH 194 14.952 1.003 -8.081 1.00 33.65 O HETATM 1495 O HOH 195 1.241 -23.871 -30.195 1.00 35.65 O HETATM 1496 O HOH 196 12.339 5.519 -14.731 1.00 38.14 O HETATM 1497 O HOH 197 -9.327 -6.054 -17.987 1.00 35.93 O HETATM 1498 O HOH 198 12.527 -7.886 -33.472 1.00 39.83 O HETATM 1499 O HOH 199 5.484 -16.219 6.396 1.00 26.65 O HETATM 1500 O HOH 200 -1.730 3.550 -11.247 1.00 38.05 O HETATM 1501 O HOH 201 9.680 3.348 -1.636 1.00 31.46 O HETATM 1502 O HOH 202 -7.072 -3.645 -13.931 1.00 19.90 O HETATM 1503 O HOH 203 -11.354 -9.135 -15.457 1.00 34.65 O HETATM 1504 O HOH 204 -5.546 -14.186 -15.689 1.00 25.80 O HETATM 1505 O HOH 205 15.129 -24.627 -7.860 1.00 31.36 O HETATM 1506 O HOH 206 6.737 3.844 -31.396 1.00 23.19 O HETATM 1507 O HOH 207 19.410 -17.330 -27.104 1.00 39.15 O HETATM 1508 O HOH 208 -9.859 -11.602 -15.024 1.00 31.50 O HETATM 1509 O HOH 209 4.000 -29.714 -3.912 1.00 24.96 O HETATM 1510 O HOH 210 7.020 2.351 -1.234 1.00 31.83 O HETATM 1511 O HOH 211 20.094 -11.379 -16.967 1.00 29.53 O HETATM 1512 O HOH 212 18.791 2.401 -27.317 1.00 32.90 O HETATM 1513 O HOH 213 10.087 -25.755 -3.812 1.00 28.44 O HETATM 1514 O HOH 214 15.564 -22.282 -18.402 1.00 14.55 O HETATM 1515 O HOH 215 18.768 -0.389 -26.836 1.00 26.85 O HETATM 1516 O HOH 216 3.460 -12.527 -15.393 1.00 23.06 O HETATM 1517 O HOH 217 7.076 2.201 -22.871 1.00 31.27 O HETATM 1518 O HOH 218 22.738 -2.367 -20.184 1.00 24.71 O HETATM 1519 O HOH 219 12.761 -24.840 -24.419 1.00 24.97 O HETATM 1520 O HOH 220 8.837 -12.567 -33.111 1.00 35.72 O HETATM 1521 O HOH 221 -2.573 -18.590 -1.099 1.00 30.17 O HETATM 1522 O HOH 222 -4.712 -3.193 -4.816 1.00 32.53 O HETATM 1523 O HOH 223 11.342 -10.833 -33.193 1.00 36.51 O HETATM 1524 O HOH 224 20.634 -12.434 -18.834 1.00 29.00 O HETATM 1525 O HOH 225 19.871 -0.757 -17.506 1.00 21.17 O HETATM 1526 O HOH 226 11.350 0.695 -35.358 1.00 28.31 O HETATM 1527 O HOH 227 20.915 -0.521 -20.338 1.00 21.07 O HETATM 1528 O HOH 228 14.694 -28.202 -23.217 1.00 27.15 O HETATM 1529 O HOH 229 17.173 -0.986 -28.851 1.00 26.69 O HETATM 1530 O HOH 230 17.772 -4.502 -11.141 1.00 25.90 O HETATM 1531 O HOH 231 5.348 -24.521 3.193 1.00 36.59 O HETATM 1532 O HOH 232 14.294 -31.782 -8.570 1.00 30.04 O HETATM 1533 O HOH 233 2.026 -4.580 -35.577 1.00 25.40 O HETATM 1534 O HOH 234 6.078 -12.678 -30.819 1.00 25.08 O HETATM 1535 O HOH 235 -8.045 -13.570 -16.999 1.00 32.88 O HETATM 1536 O HOH 236 18.392 -8.331 -10.733 1.00 32.99 O HETATM 1537 O HOH 237 10.350 -28.635 -24.148 1.00 24.65 O HETATM 1538 O HOH 238 16.326 -21.669 -15.694 1.00 15.39 O HETATM 1539 O HOH 239 18.063 -1.618 -10.508 1.00 31.59 O HETATM 1540 O HOH 240 -3.781 -14.630 -6.578 1.00 24.69 O HETATM 1541 O HOH 241 14.254 -30.065 -21.232 1.00 32.66 O HETATM 1542 O HOH 242 21.219 -13.485 -24.797 1.00 28.94 O HETATM 1543 O HOH 243 3.124 -18.985 6.040 1.00 29.96 O HETATM 1544 O HOH 244 7.646 2.397 -20.706 1.00 34.99 O HETATM 1545 O HOH 245 18.871 -20.837 -24.354 1.00 29.14 O HETATM 1546 O HOH 246 1.335 -18.322 3.993 1.00 22.31 O HETATM 1547 O HOH 247 20.409 -18.437 -19.949 1.00 29.94 O HETATM 1548 O HOH 248 1.281 -12.867 -31.764 1.00 31.21 O HETATM 1549 O HOH 249 6.008 -15.440 -30.840 1.00 38.46 O HETATM 1550 O HOH 250 2.834 -18.637 8.844 1.00 32.87 O HETATM 1551 O HOH 251 14.588 2.778 -12.577 1.00 25.18 O HETATM 1552 O HOH 252 9.104 -24.234 -27.081 1.00 22.80 O HETATM 1553 O HOH 253 15.758 6.857 -19.287 1.00 33.24 O HETATM 1554 O HOH 254 -1.684 -3.722 -34.133 1.00 33.77 O HETATM 1555 O HOH 255 3.289 6.597 -23.937 1.00 23.10 O HETATM 1556 O HOH 256 8.627 -26.822 -27.699 1.00 35.37 O HETATM 1557 O HOH 257 19.814 -18.087 -15.552 1.00 30.51 O HETATM 1558 O HOH 258 22.602 -11.506 -20.608 1.00 29.24 O HETATM 1559 O HOH 259 17.605 -14.078 -30.161 1.00 28.10 O HETATM 1560 N1 UNN A 260 6.298 -8.576 -17.505 1.00 -0.29 N HETATM 1561 C2 UNN A 260 7.678 -8.984 -17.866 1.00 0.03 C HETATM 1562 C3 UNN A 260 8.490 -9.171 -16.612 1.00 -0.03 C HETATM 1563 C4 UNN A 260 7.870 -10.036 -15.611 1.00 -0.05 C HETATM 1564 C5 UNN A 260 6.425 -9.781 -15.428 1.00 -0.03 C HETATM 1565 C6 UNN A 260 5.702 -9.645 -16.704 1.00 0.03 C HETATM 1566 H9 UNN A 260 5.761 -10.593 -17.259 1.00 0.05 H HETATM 1567 H10 UNN A 260 4.648 -9.404 -16.502 1.00 0.05 H HETATM 1568 H7 UNN A 260 6.303 -8.851 -14.854 1.00 0.03 H HETATM 1569 H8 UNN A 260 5.989 -10.619 -14.865 1.00 0.03 H HETATM 1570 H5 UNN A 260 8.377 -9.874 -14.648 1.00 0.03 H HETATM 1571 H6 UNN A 260 8.002 -11.082 -15.924 1.00 0.03 H HETATM 1572 H3 UNN A 260 8.653 -8.182 -16.158 1.00 0.03 H HETATM 1573 H4 UNN A 260 9.459 -9.610 -16.892 1.00 0.03 H HETATM 1574 H1 UNN A 260 8.140 -8.204 -18.489 1.00 0.05 H HETATM 1575 H2 UNN A 260 7.646 -9.930 -18.427 1.00 0.05 H HETATM 1576 C14 UNN A 260 5.547 -8.066 -18.587 1.00 0.12 C HETATM 1577 N13 UNN A 260 6.008 -8.215 -19.811 1.00 -0.29 N HETATM 1578 C12 UNN A 260 5.316 -7.699 -20.860 1.00 0.04 C HETATM 1579 C9 UNN A 260 5.828 -7.909 -22.147 1.00 0.06 C HETATM 1580 C8 UNN A 260 5.178 -7.453 -23.264 1.00 -0.03 C HETATM 1581 C7 UNN A 260 3.921 -6.812 -23.113 1.00 0.04 C HETATM 1582 C10 UNN A 260 3.375 -6.608 -21.884 1.00 -0.04 C HETATM 1583 C11 UNN A 260 4.054 -7.050 -20.721 1.00 0.01 C HETATM 1584 C16 UNN A 260 3.571 -6.886 -19.410 1.00 0.02 C HETATM 1585 C15 UNN A 260 4.274 -7.407 -18.334 1.00 0.07 C HETATM 1586 C19 UNN A 260 3.885 -7.112 -16.957 1.00 0.07 C HETATM 1587 O20 UNN A 260 2.985 -7.878 -16.360 1.00 -0.56 O HETATM 1588 O21 UNN A 260 4.271 -6.101 -16.418 1.00 -0.56 O HETATM 1589 C22 UNN A 260 2.331 -6.125 -19.179 1.00 -0.01 C HETATM 1590 C23 UNN A 260 2.329 -4.735 -19.436 1.00 -0.05 C HETATM 1591 C26 UNN A 260 1.184 -3.981 -19.226 1.00 -0.06 C HETATM 1592 C24 UNN A 260 0.025 -4.570 -18.699 1.00 -0.06 C HETATM 1593 C25 UNN A 260 -0.004 -5.951 -18.449 1.00 -0.06 C HETATM 1594 C27 UNN A 260 1.173 -6.714 -18.650 1.00 -0.05 C HETATM 1595 H17 UNN A 260 1.179 -7.767 -18.392 1.00 0.07 H HETATM 1596 H15 UNN A 260 -0.915 -6.428 -18.107 1.00 0.06 H HETATM 1597 H14 UNN A 260 -0.846 -3.961 -18.485 1.00 0.06 H HETATM 1598 H16 UNN A 260 1.185 -2.925 -19.472 1.00 0.06 H HETATM 1599 H13 UNN A 260 3.230 -4.254 -19.800 1.00 0.07 H HETATM 1600 H12 UNN A 260 2.418 -6.106 -21.794 1.00 0.07 H HETATM 1601 CL2 UNN A 260 3.080 -6.325 -24.532 1.00 -0.07 CL HETATM 1602 H11 UNN A 260 5.617 -7.580 -24.247 1.00 0.07 H HETATM 1603 CL1 UNN A 260 7.312 -8.750 -22.347 1.00 -0.07 CL CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1560 1561 1565 1576 CONECT 1561 1560 1562 1574 1575 CONECT 1562 1561 1563 1572 1573 CONECT 1563 1562 1564 1570 1571 CONECT 1564 1563 1565 1568 1569 CONECT 1565 1560 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1564 CONECT 1569 1564 CONECT 1570 1563 CONECT 1571 1563 CONECT 1572 1562 CONECT 1573 1562 CONECT 1574 1561 CONECT 1575 1561 CONECT 1576 1560 1577 1585 CONECT 1577 1576 1578 CONECT 1578 1577 1579 1583 CONECT 1579 1578 1580 1603 CONECT 1580 1579 1581 1602 CONECT 1581 1580 1582 1601 CONECT 1582 1581 1583 1600 CONECT 1583 1578 1582 1584 CONECT 1584 1583 1585 1589 CONECT 1585 1576 1584 1586 CONECT 1586 1585 1587 1588 CONECT 1587 1586 CONECT 1588 1586 CONECT 1589 1584 1590 1594 CONECT 1590 1589 1591 1599 CONECT 1591 1590 1592 1598 CONECT 1592 1591 1593 1597 CONECT 1593 1592 1594 1596 CONECT 1594 1589 1593 1595 CONECT 1595 1594 CONECT 1596 1593 CONECT 1597 1592 CONECT 1598 1591 CONECT 1599 1590 CONECT 1600 1582 CONECT 1601 1581 CONECT 1602 1580 CONECT 1603 1579 MASTER 0 0 0 0 0 0 0 0 1602 1 48 11 END
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Related entries of code: 5hz8
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Protein Sequence Similarity
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5y0g
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5hz8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human fatty acid binding proteins 3 (FABP3)
Ligand Name
65Z
EC.Number
E.C.-.-.-.-
Resolution
1.12(Å)
Affinity (Kd/Ki/IC50)
Ki=0.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Bioorg. Med. Chem. Lett. Vol. 26: pp. 5092-5097
Ligand Properties
Formula
C
2
1
H
1
8
Cl
2
N
2
O
2
Molecular Weight
401.286
Exact Mass
400.075
No. of atoms
45
No. of bonds
48
Polar Surface Area
53.43
LOGP Value
6.98 (
Computed with XLOGP3
)
5.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
Clc1cc(Cl)c2c(c1)c(c1ccccc1)c(c(n2)N1CCCCC1)C(=O)O
InChI String
InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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