Browse entries in the PDBbind-CN Database
HEADER 5Y0F_COMPLEX COMPND 5Y0F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ARG GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP SEQRES 2 A 136 LYS LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS SEQRES 3 A 136 GLU VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY SEQRES 4 A 136 MET ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP SEQRES 5 A 136 VAL ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR SEQRES 6 A 136 GLU ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL SEQRES 7 A 136 THR ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU SEQRES 8 A 136 ASP GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY SEQRES 9 A 136 LYS SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS SEQRES 10 A 136 LEU VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR SEQRES 11 A 136 ARG VAL TYR GLU ARG ALA HET UNN A 252 39 ATOM 1 N ARG A -4 4.404 -25.515 7.125 1.00 43.92 N ATOM 2 CA ARG A -4 5.535 -24.899 6.440 1.00 38.51 C ATOM 3 C ARG A -4 5.922 -23.575 7.091 1.00 36.99 C ATOM 4 O ARG A -4 5.060 -22.801 7.511 1.00 41.33 O ATOM 5 CB ARG A -4 5.209 -24.681 4.961 1.00 37.33 C ATOM 6 HN3 ARG A -4 3.586 -24.874 7.086 1.00 0.00 H ATOM 7 HN2 ARG A -4 4.658 -25.695 8.117 1.00 0.00 H ATOM 8 HN1 ARG A -4 4.165 -26.413 6.659 1.00 0.00 H ATOM 9 N GLY A -3 7.227 -23.316 7.169 1.00 37.73 N ATOM 10 CA GLY A -3 7.742 -22.106 7.767 1.00 32.12 C ATOM 11 C GLY A -3 7.988 -21.009 6.744 1.00 26.82 C ATOM 12 O GLY A -3 7.684 -21.138 5.557 1.00 34.92 O ATOM 13 H GLY A -3 7.899 -24.011 6.785 1.00 0.00 H ATOM 14 N SER A -2 8.553 -19.908 7.233 1.00 27.62 N ATOM 15 CA SER A -2 8.858 -18.772 6.374 1.00 25.23 C ATOM 16 C SER A -2 9.932 -19.138 5.358 1.00 25.65 C ATOM 17 O SER A -2 10.791 -19.993 5.597 1.00 28.71 O ATOM 18 CB SER A -2 9.322 -17.574 7.205 1.00 27.44 C ATOM 19 OG SER A -2 8.332 -17.180 8.140 1.00 31.52 O ATOM 20 HG SER A -2 8.661 -16.405 8.661 1.00 0.00 H ATOM 21 H SER A -2 8.781 -19.858 8.246 1.00 0.00 H ATOM 22 N HIS A -1 9.863 -18.486 4.203 1.00 23.06 N ATOM 23 CA HIS A -1 10.885 -18.589 3.178 1.00 23.47 C ATOM 24 C HIS A -1 11.399 -17.192 2.861 1.00 23.16 C ATOM 25 O HIS A -1 10.670 -16.207 2.996 1.00 22.76 O ATOM 26 CB HIS A -1 10.340 -19.247 1.905 1.00 25.32 C ATOM 27 CG HIS A -1 10.085 -20.715 2.048 1.00 33.70 C ATOM 28 ND1 HIS A -1 8.828 -21.267 1.932 1.00 43.13 N ATOM 29 CD2 HIS A -1 10.927 -21.745 2.302 1.00 39.12 C ATOM 30 CE1 HIS A -1 8.906 -22.575 2.106 1.00 38.82 C ATOM 31 NE2 HIS A -1 10.169 -22.890 2.333 1.00 40.81 N ATOM 32 H HIS A -1 9.040 -17.875 4.025 1.00 0.00 H ATOM 33 N MET A 0 12.666 -17.111 2.449 1.00 20.61 N ATOM 34 CA MET A 0 13.208 -15.823 2.027 1.00 20.09 C ATOM 35 C MET A 0 12.330 -15.185 0.956 1.00 20.70 C ATOM 36 O MET A 0 12.091 -13.972 0.983 1.00 18.22 O ATOM 37 CB MET A 0 14.650 -15.998 1.531 1.00 22.88 C ATOM 38 CG MET A 0 15.294 -14.722 1.018 1.00 20.40 C ATOM 39 SD MET A 0 14.935 -14.475 -0.744 1.00 25.83 S ATOM 40 CE MET A 0 14.792 -12.688 -0.847 1.00 25.88 C ATOM 41 H MET A 0 13.264 -17.961 2.429 1.00 0.00 H ATOM 42 N CYS A 1 11.805 -15.995 0.027 1.00 21.89 N ATOM 43 CA CYS A 1 11.034 -15.385 -1.052 1.00 21.31 C ATOM 44 C CYS A 1 9.693 -14.833 -0.585 1.00 21.64 C ATOM 45 O CYS A 1 9.019 -14.154 -1.373 1.00 19.15 O ATOM 46 CB CYS A 1 10.820 -16.378 -2.189 1.00 25.23 C ATOM 47 SG CYS A 1 10.123 -17.925 -1.661 1.00 25.18 S ATOM 48 H CYS A 1 11.942 -17.025 0.073 1.00 0.00 H ATOM 49 N ASP A 2 9.314 -15.042 0.679 1.00 17.33 N ATOM 50 CA ASP A 2 8.148 -14.354 1.211 1.00 19.92 C ATOM 51 C ASP A 2 8.310 -12.841 1.161 1.00 17.04 C ATOM 52 O ASP A 2 7.307 -12.129 1.265 1.00 17.35 O ATOM 53 CB ASP A 2 7.867 -14.809 2.658 1.00 17.81 C ATOM 54 CG ASP A 2 7.483 -16.275 2.748 1.00 24.65 C ATOM 55 OD1 ASP A 2 7.064 -16.852 1.726 1.00 25.91 O ATOM 56 OD2 ASP A 2 7.589 -16.850 3.850 1.00 26.68 O ATOM 57 H ASP A 2 9.852 -15.696 1.282 1.00 0.00 H ATOM 58 N ALA A 3 9.537 -12.335 0.976 1.00 16.87 N ATOM 59 CA ALA A 3 9.750 -10.900 0.826 1.00 18.08 C ATOM 60 C ALA A 3 9.038 -10.324 -0.393 1.00 16.20 C ATOM 61 O ALA A 3 8.773 -9.116 -0.425 1.00 16.70 O ATOM 62 CB ALA A 3 11.246 -10.589 0.720 1.00 20.62 C ATOM 63 H ALA A 3 10.353 -12.978 0.939 1.00 0.00 H ATOM 64 N PHE A 4 8.743 -11.148 -1.398 1.00 14.84 N ATOM 65 CA PHE A 4 8.034 -10.700 -2.586 1.00 14.57 C ATOM 66 C PHE A 4 6.523 -10.712 -2.419 1.00 15.14 C ATOM 67 O PHE A 4 5.821 -10.130 -3.253 1.00 13.58 O ATOM 68 CB PHE A 4 8.401 -11.587 -3.781 1.00 14.90 C ATOM 69 CG PHE A 4 9.819 -11.442 -4.231 1.00 14.06 C ATOM 70 CD1 PHE A 4 10.180 -10.436 -5.121 1.00 16.73 C ATOM 71 CD2 PHE A 4 10.796 -12.317 -3.778 1.00 17.01 C ATOM 72 CE1 PHE A 4 11.498 -10.299 -5.550 1.00 16.60 C ATOM 73 CE2 PHE A 4 12.115 -12.186 -4.198 1.00 17.66 C ATOM 74 CZ PHE A 4 12.462 -11.185 -5.092 1.00 16.45 C ATOM 75 H PHE A 4 9.030 -12.145 -1.330 1.00 0.00 H ATOM 76 N VAL A 5 6.009 -11.382 -1.388 1.00 15.44 N ATOM 77 CA VAL A 5 4.580 -11.640 -1.289 1.00 13.41 C ATOM 78 C VAL A 5 3.848 -10.347 -0.982 1.00 15.45 C ATOM 79 O VAL A 5 4.245 -9.592 -0.083 1.00 16.59 O ATOM 80 CB VAL A 5 4.304 -12.692 -0.205 1.00 14.76 C ATOM 81 CG1 VAL A 5 2.811 -12.770 0.112 1.00 17.52 C ATOM 82 CG2 VAL A 5 4.841 -14.035 -0.657 1.00 15.51 C ATOM 83 H VAL A 5 6.642 -11.728 -0.639 1.00 0.00 H ATOM 84 N GLY A 6 2.767 -10.100 -1.699 1.00 15.14 N ATOM 85 CA GLY A 6 1.923 -8.967 -1.393 1.00 13.96 C ATOM 86 C GLY A 6 1.274 -8.418 -2.643 1.00 13.46 C ATOM 87 O GLY A 6 1.251 -9.059 -3.691 1.00 15.01 O ATOM 88 H GLY A 6 2.520 -10.727 -2.492 1.00 0.00 H ATOM 89 N THR A 7 0.732 -7.212 -2.492 1.00 13.69 N ATOM 90 CA THR A 7 0.033 -6.496 -3.549 1.00 13.86 C ATOM 91 C THR A 7 0.846 -5.257 -3.893 1.00 14.66 C ATOM 92 O THR A 7 1.152 -4.449 -3.009 1.00 16.16 O ATOM 93 CB THR A 7 -1.378 -6.092 -3.111 1.00 19.05 C ATOM 94 OG1 THR A 7 -2.044 -7.223 -2.531 1.00 20.40 O ATOM 95 CG2 THR A 7 -2.181 -5.577 -4.291 1.00 20.94 C ATOM 96 HG1 THR A 7 -1.532 -7.538 -1.744 1.00 0.00 H ATOM 97 H THR A 7 0.813 -6.753 -1.562 1.00 0.00 H ATOM 98 N TRP A 8 1.199 -5.121 -5.168 1.00 13.49 N ATOM 99 CA TRP A 8 2.133 -4.106 -5.632 1.00 13.40 C ATOM 100 C TRP A 8 1.493 -3.294 -6.750 1.00 13.14 C ATOM 101 O TRP A 8 0.646 -3.802 -7.495 1.00 15.86 O ATOM 102 CB TRP A 8 3.438 -4.758 -6.139 1.00 14.21 C ATOM 103 CG TRP A 8 4.129 -5.647 -5.136 1.00 13.15 C ATOM 104 CD1 TRP A 8 3.940 -6.993 -4.952 1.00 12.95 C ATOM 105 CD2 TRP A 8 5.134 -5.251 -4.201 1.00 12.33 C ATOM 106 NE1 TRP A 8 4.763 -7.453 -3.941 1.00 13.42 N ATOM 107 CE2 TRP A 8 5.506 -6.402 -3.468 1.00 12.74 C ATOM 108 CE3 TRP A 8 5.750 -4.030 -3.904 1.00 13.43 C ATOM 109 CZ2 TRP A 8 6.473 -6.363 -2.458 1.00 13.80 C ATOM 110 CZ3 TRP A 8 6.709 -3.995 -2.906 1.00 15.12 C ATOM 111 CH2 TRP A 8 7.065 -5.156 -2.200 1.00 15.07 C ATOM 112 HE1 TRP A 8 4.811 -8.433 -3.596 1.00 0.00 H ATOM 113 H TRP A 8 0.788 -5.772 -5.867 1.00 0.00 H ATOM 114 N LYS A 9 1.905 -2.029 -6.873 1.00 13.17 N ATOM 115 CA LYS A 9 1.414 -1.168 -7.944 1.00 14.38 C ATOM 116 C LYS A 9 2.577 -0.474 -8.649 1.00 13.65 C ATOM 117 O LYS A 9 3.524 -0.014 -8.007 1.00 14.22 O ATOM 118 CB LYS A 9 0.425 -0.133 -7.401 1.00 17.80 C ATOM 119 CG LYS A 9 1.005 0.797 -6.371 1.00 20.75 C ATOM 120 CD LYS A 9 -0.039 1.789 -5.863 1.00 25.33 C ATOM 121 CE LYS A 9 0.424 2.453 -4.578 1.00 30.67 C ATOM 122 NZ LYS A 9 1.609 3.323 -4.820 1.00 37.22 N ATOM 123 HZ1 LYS A 9 2.389 2.747 -5.197 1.00 0.00 H ATOM 124 HZ2 LYS A 9 1.360 4.063 -5.506 1.00 0.00 H ATOM 125 HZ3 LYS A 9 1.903 3.763 -3.925 1.00 0.00 H ATOM 126 H LYS A 9 2.591 -1.649 -6.190 1.00 0.00 H ATOM 127 N LEU A 10 2.507 -0.413 -9.980 1.00 12.25 N ATOM 128 CA LEU A 10 3.565 0.219 -10.763 1.00 10.96 C ATOM 129 C LEU A 10 3.607 1.715 -10.475 1.00 15.05 C ATOM 130 O LEU A 10 2.585 2.400 -10.580 1.00 17.72 O ATOM 131 CB LEU A 10 3.332 0.000 -12.258 1.00 14.21 C ATOM 132 CG LEU A 10 4.432 0.576 -13.148 1.00 14.79 C ATOM 133 CD1 LEU A 10 5.658 -0.320 -13.061 1.00 14.06 C ATOM 134 CD2 LEU A 10 3.956 0.700 -14.602 1.00 19.68 C ATOM 135 H LEU A 10 1.685 -0.823 -10.468 1.00 0.00 H ATOM 136 N VAL A 11 4.786 2.228 -10.136 1.00 13.68 N ATOM 137 CA VAL A 11 4.940 3.658 -9.907 1.00 15.53 C ATOM 138 C VAL A 11 5.925 4.320 -10.862 1.00 21.05 C ATOM 139 O VAL A 11 5.903 5.558 -10.982 1.00 19.97 O ATOM 140 CB VAL A 11 5.333 3.954 -8.445 1.00 17.34 C ATOM 141 CG1 VAL A 11 4.240 3.478 -7.492 1.00 20.57 C ATOM 142 CG2 VAL A 11 6.682 3.326 -8.101 1.00 19.94 C ATOM 143 H VAL A 11 5.609 1.600 -10.033 1.00 0.00 H ATOM 144 N SER A 12 6.786 3.572 -11.554 1.00 15.06 N ATOM 145 CA SER A 12 7.662 4.194 -12.537 1.00 16.45 C ATOM 146 C SER A 12 8.062 3.173 -13.589 1.00 15.00 C ATOM 147 O SER A 12 8.114 1.968 -13.326 1.00 15.72 O ATOM 148 CB SER A 12 8.918 4.799 -11.902 1.00 20.28 C ATOM 149 OG SER A 12 9.722 3.808 -11.313 1.00 24.96 O ATOM 150 HG SER A 12 10.001 3.157 -12.005 1.00 0.00 H ATOM 151 H SER A 12 6.832 2.546 -11.392 1.00 0.00 H ATOM 152 N SER A 13 8.339 3.669 -14.790 1.00 14.94 N ATOM 153 CA SER A 13 8.739 2.802 -15.889 1.00 15.64 C ATOM 154 C SER A 13 9.716 3.576 -16.751 1.00 17.17 C ATOM 155 O SER A 13 9.412 4.698 -17.173 1.00 18.28 O ATOM 156 CB SER A 13 7.528 2.344 -16.717 1.00 16.96 C ATOM 157 OG SER A 13 7.896 1.501 -17.796 1.00 16.15 O ATOM 158 HG SER A 13 8.512 1.988 -18.399 1.00 0.00 H ATOM 159 H SER A 13 8.269 4.695 -14.948 1.00 0.00 H ATOM 160 N GLU A 14 10.880 2.988 -17.000 1.00 14.23 N ATOM 161 CA GLU A 14 11.933 3.636 -17.769 1.00 16.37 C ATOM 162 C GLU A 14 12.348 2.740 -18.924 1.00 14.29 C ATOM 163 O GLU A 14 12.682 1.564 -18.720 1.00 15.34 O ATOM 164 CB GLU A 14 13.147 3.945 -16.893 1.00 18.64 C ATOM 165 CG GLU A 14 12.904 5.035 -15.863 1.00 28.52 C ATOM 166 CD GLU A 14 12.702 6.401 -16.502 1.00 35.42 C ATOM 167 OE1 GLU A 14 13.394 6.709 -17.501 1.00 33.02 O ATOM 168 OE2 GLU A 14 11.847 7.169 -16.003 1.00 42.92 O ATOM 169 H GLU A 14 11.046 2.029 -16.632 1.00 0.00 H ATOM 170 N ASN A 15 12.310 3.294 -20.137 1.00 14.73 N ATOM 171 CA ASN A 15 12.815 2.659 -21.354 1.00 14.89 C ATOM 172 C ASN A 15 12.012 1.432 -21.777 1.00 13.15 C ATOM 173 O ASN A 15 12.487 0.638 -22.592 1.00 14.98 O ATOM 174 CB ASN A 15 14.300 2.288 -21.219 1.00 15.22 C ATOM 175 CG ASN A 15 15.052 2.393 -22.542 1.00 17.46 C ATOM 176 OD1 ASN A 15 14.794 3.290 -23.350 1.00 20.68 O ATOM 177 ND2 ASN A 15 15.974 1.469 -22.778 1.00 16.66 N ATOM 178 HD22 ASN A 15 16.162 0.729 -22.071 1.00 0.00 H ATOM 179 HD21 ASN A 15 16.509 1.484 -23.670 1.00 0.00 H ATOM 180 H ASN A 15 11.893 4.243 -20.223 1.00 0.00 H ATOM 181 N PHE A 16 10.782 1.283 -21.280 1.00 12.99 N ATOM 182 CA PHE A 16 10.013 0.089 -21.608 1.00 13.25 C ATOM 183 C PHE A 16 9.614 0.060 -23.077 1.00 14.36 C ATOM 184 O PHE A 16 9.512 -1.021 -23.665 1.00 14.36 O ATOM 185 CB PHE A 16 8.776 -0.015 -20.719 1.00 14.02 C ATOM 186 CG PHE A 16 8.165 -1.401 -20.665 1.00 15.33 C ATOM 187 CD1 PHE A 16 8.943 -2.517 -20.375 1.00 15.57 C ATOM 188 CD2 PHE A 16 6.803 -1.576 -20.886 1.00 16.97 C ATOM 189 CE1 PHE A 16 8.376 -3.791 -20.308 1.00 15.02 C ATOM 190 CE2 PHE A 16 6.227 -2.851 -20.827 1.00 16.55 C ATOM 191 CZ PHE A 16 7.016 -3.956 -20.533 1.00 15.28 C ATOM 192 H PHE A 16 10.375 2.014 -20.663 1.00 0.00 H ATOM 193 N ASP A 17 9.394 1.221 -23.696 1.00 15.22 N ATOM 194 CA ASP A 17 9.039 1.212 -25.111 1.00 15.31 C ATOM 195 C ASP A 17 10.165 0.631 -25.957 1.00 16.76 C ATOM 196 O ASP A 17 9.928 -0.218 -26.825 1.00 15.78 O ATOM 197 CB ASP A 17 8.685 2.620 -25.577 1.00 18.97 C ATOM 198 CG ASP A 17 8.155 2.632 -26.992 1.00 27.43 C ATOM 199 OD1 ASP A 17 7.157 1.923 -27.248 1.00 26.75 O ATOM 200 OD2 ASP A 17 8.733 3.344 -27.845 1.00 33.82 O ATOM 201 H ASP A 17 9.474 2.119 -23.178 1.00 0.00 H ATOM 202 N ASP A 18 11.403 1.066 -25.710 1.00 16.97 N ATOM 203 CA ASP A 18 12.537 0.535 -26.461 1.00 17.75 C ATOM 204 C ASP A 18 12.760 -0.945 -26.162 1.00 16.17 C ATOM 205 O ASP A 18 13.105 -1.720 -27.067 1.00 17.50 O ATOM 206 CB ASP A 18 13.802 1.339 -26.164 1.00 20.21 C ATOM 207 CG ASP A 18 14.007 2.496 -27.143 1.00 32.53 C ATOM 208 OD1 ASP A 18 13.016 3.152 -27.526 1.00 33.73 O ATOM 209 OD2 ASP A 18 15.167 2.736 -27.543 1.00 35.89 O ATOM 210 H ASP A 18 11.561 1.788 -24.978 1.00 0.00 H ATOM 211 N TYR A 19 12.570 -1.360 -24.904 1.00 14.45 N ATOM 212 CA TYR A 19 12.625 -2.787 -24.595 1.00 12.61 C ATOM 213 C TYR A 19 11.602 -3.558 -25.413 1.00 12.68 C ATOM 214 O TYR A 19 11.924 -4.588 -26.017 1.00 13.78 O ATOM 215 CB TYR A 19 12.388 -3.016 -23.101 1.00 11.95 C ATOM 216 CG TYR A 19 12.217 -4.472 -22.723 1.00 12.92 C ATOM 217 CD1 TYR A 19 13.317 -5.311 -22.584 1.00 13.39 C ATOM 218 CD2 TYR A 19 10.950 -5.011 -22.520 1.00 12.72 C ATOM 219 CE1 TYR A 19 13.158 -6.651 -22.234 1.00 13.51 C ATOM 220 CE2 TYR A 19 10.779 -6.339 -22.183 1.00 14.13 C ATOM 221 CZ TYR A 19 11.880 -7.158 -22.041 1.00 13.26 C ATOM 222 OH TYR A 19 11.697 -8.476 -21.684 1.00 13.56 O ATOM 223 HH TYR A 19 12.577 -8.926 -21.624 1.00 0.00 H ATOM 224 H TYR A 19 12.384 -0.669 -24.149 1.00 0.00 H ATOM 225 N MET A 20 10.353 -3.077 -25.433 1.00 13.15 N ATOM 226 CA MET A 20 9.304 -3.764 -26.184 1.00 14.61 C ATOM 227 C MET A 20 9.621 -3.824 -27.673 1.00 13.74 C ATOM 228 O MET A 20 9.334 -4.832 -28.334 1.00 14.20 O ATOM 229 CB MET A 20 7.961 -3.080 -25.952 1.00 12.40 C ATOM 230 CG MET A 20 7.381 -3.363 -24.559 1.00 14.88 C ATOM 231 SD MET A 20 5.674 -2.821 -24.444 1.00 14.67 S ATOM 232 CE MET A 20 5.857 -1.050 -24.463 1.00 16.07 C ATOM 233 H MET A 20 10.127 -2.207 -24.910 1.00 0.00 H ATOM 234 N LYS A 21 10.203 -2.755 -28.223 1.00 13.61 N ATOM 235 CA LYS A 21 10.612 -2.787 -29.624 1.00 16.38 C ATOM 236 C LYS A 21 11.596 -3.918 -29.866 1.00 17.12 C ATOM 237 O LYS A 21 11.469 -4.674 -30.839 1.00 19.56 O ATOM 238 CB LYS A 21 11.246 -1.460 -30.025 1.00 19.67 C ATOM 239 CG LYS A 21 10.277 -0.314 -30.125 1.00 20.42 C ATOM 240 CD LYS A 21 11.010 0.919 -30.606 1.00 22.01 C ATOM 241 CE LYS A 21 10.145 2.140 -30.450 1.00 28.78 C ATOM 242 NZ LYS A 21 10.919 3.374 -30.763 1.00 38.44 N ATOM 243 HZ1 LYS A 21 11.728 3.448 -30.114 1.00 0.00 H ATOM 244 HZ2 LYS A 21 11.263 3.327 -31.743 1.00 0.00 H ATOM 245 HZ3 LYS A 21 10.304 4.205 -30.649 1.00 0.00 H ATOM 246 H LYS A 21 10.365 -1.900 -27.653 1.00 0.00 H ATOM 247 N GLU A 22 12.580 -4.057 -28.974 1.00 17.31 N ATOM 248 CA GLU A 22 13.586 -5.098 -29.139 1.00 17.20 C ATOM 249 C GLU A 22 12.960 -6.480 -29.027 1.00 16.38 C ATOM 250 O GLU A 22 13.367 -7.415 -29.728 1.00 19.75 O ATOM 251 CB GLU A 22 14.691 -4.914 -28.097 1.00 21.82 C ATOM 252 CG GLU A 22 16.068 -5.384 -28.528 1.00 28.49 C ATOM 253 CD GLU A 22 16.573 -4.667 -29.768 1.00 31.08 C ATOM 254 OE1 GLU A 22 16.327 -3.450 -29.896 1.00 31.07 O ATOM 255 OE2 GLU A 22 17.215 -5.323 -30.611 1.00 37.38 O ATOM 256 H GLU A 22 12.629 -3.417 -28.155 1.00 0.00 H ATOM 257 N VAL A 23 11.968 -6.627 -28.143 1.00 15.97 N ATOM 258 CA VAL A 23 11.273 -7.900 -27.991 1.00 16.30 C ATOM 259 C VAL A 23 10.494 -8.246 -29.253 1.00 17.43 C ATOM 260 O VAL A 23 10.247 -9.427 -29.534 1.00 18.57 O ATOM 261 CB VAL A 23 10.362 -7.847 -26.746 1.00 15.44 C ATOM 262 CG1 VAL A 23 9.344 -8.978 -26.738 1.00 15.66 C ATOM 263 CG2 VAL A 23 11.200 -7.880 -25.480 1.00 15.89 C ATOM 264 H VAL A 23 11.687 -5.818 -27.553 1.00 0.00 H ATOM 265 N GLY A 24 10.113 -7.242 -30.034 1.00 15.46 N ATOM 266 CA GLY A 24 9.339 -7.444 -31.238 1.00 17.22 C ATOM 267 C GLY A 24 7.877 -7.090 -31.123 1.00 17.38 C ATOM 268 O GLY A 24 7.088 -7.518 -31.972 1.00 17.31 O ATOM 269 H GLY A 24 10.382 -6.273 -29.769 1.00 0.00 H ATOM 270 N VAL A 25 7.491 -6.334 -30.095 1.00 14.88 N ATOM 271 CA VAL A 25 6.090 -5.995 -29.875 1.00 14.02 C ATOM 272 C VAL A 25 5.644 -4.990 -30.926 1.00 14.76 C ATOM 273 O VAL A 25 6.336 -4.000 -31.184 1.00 16.87 O ATOM 274 CB VAL A 25 5.905 -5.433 -28.458 1.00 15.34 C ATOM 275 CG1 VAL A 25 4.436 -5.213 -28.167 1.00 16.33 C ATOM 276 CG2 VAL A 25 6.526 -6.385 -27.433 1.00 14.98 C ATOM 277 H VAL A 25 8.208 -5.976 -29.432 1.00 0.00 H ATOM 278 N GLY A 26 4.488 -5.247 -31.533 1.00 18.30 N ATOM 279 CA GLY A 26 3.972 -4.371 -32.568 1.00 20.55 C ATOM 280 C GLY A 26 3.531 -3.020 -32.030 1.00 18.80 C ATOM 281 O GLY A 26 3.365 -2.806 -30.831 1.00 17.69 O ATOM 282 H GLY A 26 3.945 -6.091 -31.261 1.00 0.00 H ATOM 283 N PHE A 27 3.310 -2.095 -32.964 1.00 17.95 N ATOM 284 CA PHE A 27 3.034 -0.705 -32.605 1.00 17.73 C ATOM 285 C PHE A 27 1.855 -0.585 -31.643 1.00 18.59 C ATOM 286 O PHE A 27 1.972 0.023 -30.567 1.00 16.77 O ATOM 287 CB PHE A 27 2.765 0.112 -33.869 1.00 18.81 C ATOM 288 CG PHE A 27 2.400 1.534 -33.588 1.00 17.00 C ATOM 289 CD1 PHE A 27 3.384 2.495 -33.457 1.00 18.36 C ATOM 290 CD2 PHE A 27 1.076 1.909 -33.427 1.00 20.88 C ATOM 291 CE1 PHE A 27 3.052 3.819 -33.166 1.00 21.04 C ATOM 292 CE2 PHE A 27 0.738 3.227 -33.140 1.00 20.50 C ATOM 293 CZ PHE A 27 1.727 4.179 -33.015 1.00 20.26 C ATOM 294 H PHE A 27 3.334 -2.367 -33.967 1.00 0.00 H ATOM 295 N ALA A 28 0.701 -1.141 -32.022 1.00 18.32 N ATOM 296 CA ALA A 28 -0.511 -0.901 -31.243 1.00 17.91 C ATOM 297 C ALA A 28 -0.398 -1.507 -29.849 1.00 18.64 C ATOM 298 O ALA A 28 -0.777 -0.874 -28.855 1.00 17.38 O ATOM 299 CB ALA A 28 -1.731 -1.455 -31.978 1.00 17.36 C ATOM 300 H ALA A 28 0.666 -1.743 -32.869 1.00 0.00 H ATOM 301 N THR A 29 0.130 -2.726 -29.756 1.00 17.23 N ATOM 302 CA THR A 29 0.331 -3.329 -28.443 1.00 15.92 C ATOM 303 C THR A 29 1.345 -2.546 -27.610 1.00 18.83 C ATOM 304 O THR A 29 1.164 -2.388 -26.394 1.00 16.19 O ATOM 305 CB THR A 29 0.762 -4.785 -28.612 1.00 16.52 C ATOM 306 OG1 THR A 29 -0.251 -5.489 -29.337 1.00 19.67 O ATOM 307 CG2 THR A 29 0.959 -5.444 -27.256 1.00 18.26 C ATOM 308 HG1 THR A 29 -0.370 -5.070 -30.226 1.00 0.00 H ATOM 309 H THR A 29 0.398 -3.246 -30.616 1.00 0.00 H ATOM 310 N ARG A 30 2.426 -2.053 -28.228 1.00 15.33 N ATOM 311 CA ARG A 30 3.377 -1.241 -27.473 1.00 14.35 C ATOM 312 C ARG A 30 2.697 -0.026 -26.871 1.00 15.98 C ATOM 313 O ARG A 30 2.923 0.308 -25.705 1.00 16.08 O ATOM 314 CB ARG A 30 4.538 -0.770 -28.351 1.00 17.45 C ATOM 315 CG ARG A 30 5.661 -1.772 -28.507 1.00 20.48 C ATOM 316 CD ARG A 30 6.986 -1.082 -28.833 1.00 17.02 C ATOM 317 NE ARG A 30 6.846 0.069 -29.731 1.00 18.14 N ATOM 318 CZ ARG A 30 6.697 -0.016 -31.052 1.00 19.41 C ATOM 319 NH1 ARG A 30 6.637 -1.200 -31.658 1.00 19.36 N ATOM 320 NH2 ARG A 30 6.590 1.098 -31.771 1.00 19.37 N ATOM 321 HE ARG A 30 6.864 1.018 -29.307 1.00 0.00 H ATOM 322 HH12 ARG A 30 6.520 -1.251 -32.690 1.00 0.00 H ATOM 323 HH11 ARG A 30 6.707 -2.074 -31.099 1.00 0.00 H ATOM 324 HH22 ARG A 30 6.473 1.042 -32.803 1.00 0.00 H ATOM 325 HH21 ARG A 30 6.623 2.025 -31.301 1.00 0.00 H ATOM 326 H ARG A 30 2.587 -2.247 -29.237 1.00 0.00 H ATOM 327 N LYS A 31 1.858 0.649 -27.656 1.00 16.13 N ATOM 328 CA LYS A 31 1.235 1.875 -27.170 1.00 17.65 C ATOM 329 C LYS A 31 0.279 1.581 -26.019 1.00 16.70 C ATOM 330 O LYS A 31 0.306 2.264 -24.988 1.00 16.67 O ATOM 331 CB LYS A 31 0.508 2.588 -28.316 1.00 17.46 C ATOM 332 CG LYS A 31 1.441 3.130 -29.401 1.00 20.51 C ATOM 333 CD LYS A 31 2.487 4.051 -28.799 1.00 24.97 C ATOM 334 CE LYS A 31 3.762 4.050 -29.624 1.00 29.00 C ATOM 335 NZ LYS A 31 4.852 4.814 -28.948 1.00 37.76 N ATOM 336 HZ1 LYS A 31 4.549 5.799 -28.810 1.00 0.00 H ATOM 337 HZ2 LYS A 31 5.056 4.381 -28.025 1.00 0.00 H ATOM 338 HZ3 LYS A 31 5.707 4.792 -29.539 1.00 0.00 H ATOM 339 H LYS A 31 1.648 0.302 -28.614 1.00 0.00 H ATOM 340 N VAL A 32 -0.564 0.561 -26.174 1.00 14.84 N ATOM 341 CA VAL A 32 -1.554 0.258 -25.148 1.00 16.04 C ATOM 342 C VAL A 32 -0.890 -0.374 -23.929 1.00 16.64 C ATOM 343 O VAL A 32 -1.223 -0.043 -22.784 1.00 17.70 O ATOM 344 CB VAL A 32 -2.667 -0.634 -25.736 1.00 17.43 C ATOM 345 CG1 VAL A 32 -3.590 -1.134 -24.636 1.00 23.45 C ATOM 346 CG2 VAL A 32 -3.461 0.151 -26.780 1.00 22.40 C ATOM 347 H VAL A 32 -0.515 -0.023 -27.033 1.00 0.00 H ATOM 348 N ALA A 33 0.080 -1.267 -24.145 1.00 15.86 N ATOM 349 CA ALA A 33 0.744 -1.897 -23.002 1.00 14.32 C ATOM 350 C ALA A 33 1.608 -0.899 -22.246 1.00 15.19 C ATOM 351 O ALA A 33 1.704 -0.960 -21.012 1.00 16.14 O ATOM 352 CB ALA A 33 1.584 -3.086 -23.469 1.00 16.53 C ATOM 353 H ALA A 33 0.361 -1.512 -25.116 1.00 0.00 H ATOM 354 N GLY A 34 2.248 0.028 -22.964 1.00 15.37 N ATOM 355 CA GLY A 34 3.052 1.038 -22.298 1.00 16.08 C ATOM 356 C GLY A 34 2.249 1.988 -21.429 1.00 15.61 C ATOM 357 O GLY A 34 2.786 2.552 -20.469 1.00 20.81 O ATOM 358 H GLY A 34 2.171 0.027 -24.001 1.00 0.00 H ATOM 359 N MET A 35 0.964 2.190 -21.748 1.00 14.50 N ATOM 360 CA MET A 35 0.105 3.036 -20.925 1.00 14.91 C ATOM 361 C MET A 35 -0.273 2.374 -19.605 1.00 15.88 C ATOM 362 O MET A 35 -0.585 3.074 -18.637 1.00 16.64 O ATOM 363 CB MET A 35 -1.184 3.383 -21.678 1.00 18.15 C ATOM 364 CG MET A 35 -1.000 4.333 -22.844 1.00 15.18 C ATOM 365 SD MET A 35 -0.559 5.988 -22.296 1.00 17.74 S ATOM 366 CE MET A 35 -1.986 6.440 -21.320 1.00 20.60 C ATOM 367 H MET A 35 0.571 1.736 -22.597 1.00 0.00 H ATOM 368 N ALA A 36 -0.238 1.048 -19.556 1.00 16.98 N ATOM 369 CA ALA A 36 -0.791 0.312 -18.429 1.00 15.34 C ATOM 370 C ALA A 36 0.003 0.561 -17.158 1.00 15.78 C ATOM 371 O ALA A 36 1.232 0.666 -17.176 1.00 16.63 O ATOM 372 CB ALA A 36 -0.818 -1.184 -18.744 1.00 15.69 C ATOM 373 H ALA A 36 0.195 0.522 -20.342 1.00 0.00 H ATOM 374 N LYS A 37 -0.711 0.633 -16.040 1.00 16.25 N ATOM 375 CA LYS A 37 -0.106 0.776 -14.720 1.00 15.06 C ATOM 376 C LYS A 37 -0.603 -0.422 -13.923 1.00 15.93 C ATOM 377 O LYS A 37 -1.585 -0.324 -13.180 1.00 16.38 O ATOM 378 CB LYS A 37 -0.455 2.113 -14.062 1.00 18.94 C ATOM 379 CG LYS A 37 -0.030 3.305 -14.906 1.00 25.55 C ATOM 380 CD LYS A 37 1.446 3.649 -14.686 1.00 31.83 C ATOM 381 CE LYS A 37 1.886 4.853 -15.539 1.00 31.79 C ATOM 382 NZ LYS A 37 3.210 4.637 -16.227 1.00 38.39 N ATOM 383 HZ1 LYS A 37 3.947 4.470 -15.513 1.00 0.00 H ATOM 384 HZ2 LYS A 37 3.142 3.812 -16.856 1.00 0.00 H ATOM 385 HZ3 LYS A 37 3.451 5.481 -16.785 1.00 0.00 H ATOM 386 H LYS A 37 -1.748 0.585 -16.109 1.00 0.00 H ATOM 387 N PRO A 38 0.024 -1.580 -14.097 1.00 14.57 N ATOM 388 CA PRO A 38 -0.523 -2.801 -13.511 1.00 14.68 C ATOM 389 C PRO A 38 -0.333 -2.856 -12.007 1.00 14.71 C ATOM 390 O PRO A 38 0.545 -2.213 -11.425 1.00 15.01 O ATOM 391 CB PRO A 38 0.273 -3.919 -14.192 1.00 14.23 C ATOM 392 CG PRO A 38 0.963 -3.290 -15.351 1.00 15.32 C ATOM 393 CD PRO A 38 1.181 -1.859 -14.961 1.00 14.48 C ATOM 394 N ASN A 39 -1.197 -3.649 -11.387 1.00 13.84 N ATOM 395 CA ASN A 39 -0.966 -4.175 -10.055 1.00 14.95 C ATOM 396 C ASN A 39 -0.385 -5.573 -10.192 1.00 15.31 C ATOM 397 O ASN A 39 -0.771 -6.334 -11.085 1.00 17.30 O ATOM 398 CB ASN A 39 -2.256 -4.226 -9.246 1.00 16.94 C ATOM 399 CG ASN A 39 -2.662 -2.868 -8.713 1.00 22.82 C ATOM 400 OD1 ASN A 39 -1.935 -1.882 -8.861 1.00 21.04 O ATOM 401 ND2 ASN A 39 -3.826 -2.812 -8.076 1.00 38.63 N ATOM 402 HD22 ASN A 39 -4.406 -3.670 -7.976 1.00 0.00 H ATOM 403 HD21 ASN A 39 -4.158 -1.910 -7.678 1.00 0.00 H ATOM 404 H ASN A 39 -2.078 -3.905 -11.877 1.00 0.00 H ATOM 405 N MET A 40 0.561 -5.895 -9.329 1.00 13.06 N ATOM 406 CA MET A 40 1.161 -7.218 -9.303 1.00 14.43 C ATOM 407 C MET A 40 0.845 -7.841 -7.957 1.00 13.00 C ATOM 408 O MET A 40 1.028 -7.202 -6.922 1.00 16.06 O ATOM 409 CB MET A 40 2.670 -7.144 -9.523 1.00 16.99 C ATOM 410 CG MET A 40 3.274 -8.436 -10.001 1.00 19.83 C ATOM 411 SD MET A 40 5.068 -8.391 -10.042 1.00 19.21 S ATOM 412 CE MET A 40 5.405 -6.946 -11.037 1.00 25.07 C ATOM 413 H MET A 40 0.886 -5.180 -8.647 1.00 0.00 H ATOM 414 N ILE A 41 0.340 -9.070 -7.976 1.00 14.28 N ATOM 415 CA ILE A 41 -0.028 -9.782 -6.760 1.00 15.74 C ATOM 416 C ILE A 41 0.799 -11.056 -6.720 1.00 14.24 C ATOM 417 O ILE A 41 0.685 -11.903 -7.616 1.00 15.36 O ATOM 418 CB ILE A 41 -1.534 -10.083 -6.703 1.00 16.75 C ATOM 419 CG1 ILE A 41 -2.350 -8.787 -6.820 1.00 21.64 C ATOM 420 CG2 ILE A 41 -1.883 -10.793 -5.405 1.00 21.20 C ATOM 421 CD1 ILE A 41 -2.893 -8.509 -8.219 1.00 27.37 C ATOM 422 H ILE A 41 0.202 -9.541 -8.893 1.00 0.00 H ATOM 423 N ILE A 42 1.636 -11.185 -5.693 1.00 14.16 N ATOM 424 CA ILE A 42 2.562 -12.303 -5.562 1.00 12.84 C ATOM 425 C ILE A 42 2.192 -13.092 -4.317 1.00 13.96 C ATOM 426 O ILE A 42 1.988 -12.516 -3.240 1.00 14.12 O ATOM 427 CB ILE A 42 4.021 -11.821 -5.497 1.00 12.28 C ATOM 428 CG1 ILE A 42 4.357 -11.017 -6.757 1.00 14.62 C ATOM 429 CG2 ILE A 42 4.977 -12.989 -5.304 1.00 13.68 C ATOM 430 CD1 ILE A 42 5.776 -10.472 -6.791 1.00 16.37 C ATOM 431 H ILE A 42 1.629 -10.456 -4.951 1.00 0.00 H ATOM 432 N SER A 43 2.101 -14.405 -4.467 1.00 12.26 N ATOM 433 CA SER A 43 1.807 -15.269 -3.339 1.00 13.07 C ATOM 434 C SER A 43 2.679 -16.511 -3.426 1.00 13.54 C ATOM 435 O SER A 43 3.120 -16.912 -4.512 1.00 14.07 O ATOM 436 CB SER A 43 0.323 -15.641 -3.290 1.00 17.81 C ATOM 437 OG SER A 43 -0.094 -16.241 -4.495 1.00 19.93 O ATOM 438 HG SER A 43 0.048 -15.609 -5.244 1.00 0.00 H ATOM 439 H SER A 43 2.243 -14.823 -5.409 1.00 0.00 H ATOM 440 N VAL A 44 2.939 -17.105 -2.267 1.00 13.10 N ATOM 441 CA VAL A 44 3.727 -18.325 -2.164 1.00 13.79 C ATOM 442 C VAL A 44 2.912 -19.339 -1.380 1.00 17.66 C ATOM 443 O VAL A 44 2.383 -19.024 -0.307 1.00 19.18 O ATOM 444 CB VAL A 44 5.087 -18.084 -1.480 1.00 17.21 C ATOM 445 CG1 VAL A 44 5.883 -19.384 -1.434 1.00 20.39 C ATOM 446 CG2 VAL A 44 5.860 -17.011 -2.224 1.00 18.35 C ATOM 447 H VAL A 44 2.563 -16.680 -1.395 1.00 0.00 H ATOM 448 N ASN A 45 2.796 -20.545 -1.921 1.00 15.84 N ATOM 449 CA ASN A 45 2.045 -21.616 -1.275 1.00 17.01 C ATOM 450 C ASN A 45 2.892 -22.871 -1.452 1.00 17.89 C ATOM 451 O ASN A 45 2.946 -23.442 -2.543 1.00 17.83 O ATOM 452 CB ASN A 45 0.658 -21.757 -1.891 1.00 17.59 C ATOM 453 CG ASN A 45 -0.223 -22.749 -1.150 1.00 22.70 C ATOM 454 OD1 ASN A 45 0.254 -23.753 -0.627 1.00 21.50 O ATOM 455 ND2 ASN A 45 -1.525 -22.480 -1.132 1.00 18.11 N ATOM 456 HD22 ASN A 45 -1.884 -21.617 -1.588 1.00 0.00 H ATOM 457 HD21 ASN A 45 -2.184 -23.132 -0.662 1.00 0.00 H ATOM 458 H ASN A 45 3.255 -20.733 -2.835 1.00 0.00 H ATOM 459 N GLY A 46 3.564 -23.288 -0.382 1.00 20.02 N ATOM 460 CA GLY A 46 4.489 -24.401 -0.515 1.00 20.55 C ATOM 461 C GLY A 46 5.609 -24.034 -1.471 1.00 21.65 C ATOM 462 O GLY A 46 6.256 -22.988 -1.339 1.00 24.81 O ATOM 463 H GLY A 46 3.429 -22.823 0.538 1.00 0.00 H ATOM 464 N ASP A 47 5.835 -24.896 -2.459 1.00 17.69 N ATOM 465 CA ASP A 47 6.866 -24.684 -3.460 1.00 20.70 C ATOM 466 C ASP A 47 6.380 -23.844 -4.629 1.00 17.54 C ATOM 467 O ASP A 47 7.179 -23.537 -5.516 1.00 17.28 O ATOM 468 CB ASP A 47 7.367 -26.029 -3.998 1.00 22.32 C ATOM 469 CG ASP A 47 8.148 -26.821 -2.967 1.00 31.09 C ATOM 470 OD1 ASP A 47 8.861 -26.199 -2.154 1.00 33.30 O ATOM 471 OD2 ASP A 47 8.053 -28.066 -2.987 1.00 38.49 O ATOM 472 H ASP A 47 5.251 -25.755 -2.517 1.00 0.00 H ATOM 473 N VAL A 48 5.098 -23.488 -4.668 1.00 15.87 N ATOM 474 CA VAL A 48 4.506 -22.840 -5.835 1.00 13.37 C ATOM 475 C VAL A 48 4.439 -21.343 -5.594 1.00 12.50 C ATOM 476 O VAL A 48 3.836 -20.881 -4.617 1.00 13.72 O ATOM 477 CB VAL A 48 3.108 -23.395 -6.148 1.00 15.47 C ATOM 478 CG1 VAL A 48 2.544 -22.742 -7.409 1.00 16.01 C ATOM 479 CG2 VAL A 48 3.168 -24.902 -6.313 1.00 17.84 C ATOM 480 H VAL A 48 4.498 -23.678 -3.840 1.00 0.00 H ATOM 481 N ILE A 49 5.046 -20.588 -6.494 1.00 11.90 N ATOM 482 CA ILE A 49 4.970 -19.134 -6.490 1.00 10.76 C ATOM 483 C ILE A 49 3.965 -18.724 -7.556 1.00 12.76 C ATOM 484 O ILE A 49 3.995 -19.241 -8.678 1.00 13.78 O ATOM 485 CB ILE A 49 6.348 -18.512 -6.760 1.00 12.04 C ATOM 486 CG1 ILE A 49 7.361 -18.994 -5.716 1.00 15.58 C ATOM 487 CG2 ILE A 49 6.240 -16.999 -6.792 1.00 12.73 C ATOM 488 CD1 ILE A 49 8.795 -18.567 -5.991 1.00 21.27 C ATOM 489 H ILE A 49 5.603 -21.054 -7.239 1.00 0.00 H ATOM 490 N THR A 50 3.067 -17.811 -7.210 1.00 12.17 N ATOM 491 CA THR A 50 2.095 -17.294 -8.162 1.00 13.07 C ATOM 492 C THR A 50 2.315 -15.797 -8.310 1.00 11.50 C ATOM 493 O THR A 50 2.399 -15.077 -7.303 1.00 13.27 O ATOM 494 CB THR A 50 0.660 -17.586 -7.705 1.00 13.75 C ATOM 495 OG1 THR A 50 0.443 -19.009 -7.684 1.00 16.42 O ATOM 496 CG2 THR A 50 -0.343 -16.953 -8.660 1.00 17.04 C ATOM 497 HG1 THR A 50 0.582 -19.376 -8.593 1.00 0.00 H ATOM 498 H THR A 50 3.057 -17.455 -6.233 1.00 0.00 H ATOM 499 N ILE A 51 2.458 -15.340 -9.555 1.00 12.16 N ATOM 500 CA ILE A 51 2.537 -13.915 -9.860 1.00 11.67 C ATOM 501 C ILE A 51 1.363 -13.571 -10.766 1.00 13.29 C ATOM 502 O ILE A 51 1.267 -14.084 -11.886 1.00 14.41 O ATOM 503 CB ILE A 51 3.868 -13.518 -10.518 1.00 11.97 C ATOM 504 CG1 ILE A 51 5.049 -13.917 -9.635 1.00 13.32 C ATOM 505 CG2 ILE A 51 3.889 -11.998 -10.777 1.00 14.35 C ATOM 506 CD1 ILE A 51 6.410 -13.667 -10.268 1.00 15.69 C ATOM 507 H ILE A 51 2.515 -16.024 -10.336 1.00 0.00 H ATOM 508 N LYS A 52 0.465 -12.727 -10.270 1.00 12.20 N ATOM 509 CA LYS A 52 -0.653 -12.222 -11.049 1.00 13.94 C ATOM 510 C LYS A 52 -0.402 -10.762 -11.383 1.00 14.65 C ATOM 511 O LYS A 52 0.161 -10.012 -10.577 1.00 15.17 O ATOM 512 CB LYS A 52 -1.973 -12.342 -10.286 1.00 16.44 C ATOM 513 CG LYS A 52 -2.329 -13.739 -9.812 1.00 23.49 C ATOM 514 CD LYS A 52 -3.692 -13.730 -9.123 1.00 29.11 C ATOM 515 CE LYS A 52 -4.055 -15.118 -8.596 1.00 31.57 C ATOM 516 NZ LYS A 52 -5.435 -15.162 -8.020 1.00 35.75 N ATOM 517 HZ1 LYS A 52 -5.501 -14.489 -7.230 1.00 0.00 H ATOM 518 HZ2 LYS A 52 -6.124 -14.905 -8.755 1.00 0.00 H ATOM 519 HZ3 LYS A 52 -5.635 -16.123 -7.676 1.00 0.00 H ATOM 520 H LYS A 52 0.566 -12.415 -9.283 1.00 0.00 H ATOM 521 N SER A 53 -0.811 -10.356 -12.572 1.00 13.81 N ATOM 522 CA SER A 53 -0.786 -8.954 -12.936 1.00 13.77 C ATOM 523 C SER A 53 -2.179 -8.556 -13.392 1.00 16.11 C ATOM 524 O SER A 53 -2.838 -9.300 -14.122 1.00 17.84 O ATOM 525 CB SER A 53 0.245 -8.690 -14.024 1.00 17.13 C ATOM 526 OG SER A 53 0.304 -7.307 -14.354 1.00 21.88 O ATOM 527 HG SER A 53 0.981 -7.167 -15.062 1.00 0.00 H ATOM 528 H SER A 53 -1.157 -11.056 -13.259 1.00 0.00 H ATOM 529 N GLU A 54 -2.636 -7.397 -12.940 1.00 14.83 N ATOM 530 CA GLU A 54 -3.941 -6.892 -13.336 1.00 15.55 C ATOM 531 C GLU A 54 -3.767 -5.480 -13.850 1.00 15.88 C ATOM 532 O GLU A 54 -3.133 -4.656 -13.188 1.00 16.19 O ATOM 533 CB GLU A 54 -4.922 -6.911 -12.167 1.00 20.28 C ATOM 534 CG GLU A 54 -5.307 -8.299 -11.709 1.00 23.69 C ATOM 535 CD GLU A 54 -6.319 -8.243 -10.593 1.00 28.51 C ATOM 536 OE1 GLU A 54 -6.362 -7.200 -9.903 1.00 31.74 O ATOM 537 OE2 GLU A 54 -7.066 -9.233 -10.414 1.00 36.41 O ATOM 538 H GLU A 54 -2.049 -6.837 -12.289 1.00 0.00 H ATOM 539 N SER A 55 -4.317 -5.202 -15.023 1.00 15.10 N ATOM 540 CA SER A 55 -4.264 -3.838 -15.531 1.00 16.79 C ATOM 541 C SER A 55 -5.395 -3.652 -16.521 1.00 17.33 C ATOM 542 O SER A 55 -6.122 -4.593 -16.851 1.00 18.75 O ATOM 543 CB SER A 55 -2.907 -3.528 -16.167 1.00 19.59 C ATOM 544 OG SER A 55 -2.839 -4.015 -17.492 1.00 17.51 O ATOM 545 HG SER A 55 -2.970 -4.996 -17.489 1.00 0.00 H ATOM 546 H SER A 55 -4.782 -5.950 -15.576 1.00 0.00 H ATOM 547 N THR A 56 -5.536 -2.416 -17.000 1.00 18.76 N ATOM 548 CA THR A 56 -6.505 -2.154 -18.049 1.00 20.22 C ATOM 549 C THR A 56 -6.125 -2.825 -19.356 1.00 21.07 C ATOM 550 O THR A 56 -6.983 -2.968 -20.232 1.00 24.12 O ATOM 551 CB THR A 56 -6.644 -0.650 -18.281 1.00 20.23 C ATOM 552 OG1 THR A 56 -5.355 -0.100 -18.572 1.00 23.17 O ATOM 553 CG2 THR A 56 -7.211 0.025 -17.049 1.00 18.30 C ATOM 554 HG1 THR A 56 -5.440 0.875 -18.723 1.00 0.00 H ATOM 555 H THR A 56 -4.953 -1.641 -16.623 1.00 0.00 H ATOM 556 N PHE A 57 -4.862 -3.229 -19.507 1.00 17.22 N ATOM 557 CA PHE A 57 -4.404 -3.844 -20.748 1.00 19.02 C ATOM 558 C PHE A 57 -4.714 -5.335 -20.754 1.00 22.29 C ATOM 559 O PHE A 57 -5.413 -5.834 -21.642 1.00 24.85 O ATOM 560 CB PHE A 57 -2.901 -3.599 -20.929 1.00 17.53 C ATOM 561 CG PHE A 57 -2.286 -4.383 -22.054 1.00 19.18 C ATOM 562 CD1 PHE A 57 -2.839 -4.349 -23.326 1.00 21.18 C ATOM 563 CD2 PHE A 57 -1.151 -5.149 -21.840 1.00 20.52 C ATOM 564 CE1 PHE A 57 -2.269 -5.078 -24.373 1.00 24.21 C ATOM 565 CE2 PHE A 57 -0.578 -5.881 -22.877 1.00 23.09 C ATOM 566 CZ PHE A 57 -1.138 -5.844 -24.144 1.00 20.88 C ATOM 567 H PHE A 57 -4.190 -3.103 -18.723 1.00 0.00 H ATOM 568 N LYS A 58 -4.218 -6.056 -19.752 1.00 21.47 N ATOM 569 CA LYS A 58 -4.393 -7.499 -19.682 1.00 21.03 C ATOM 570 C LYS A 58 -4.347 -7.927 -18.226 1.00 21.32 C ATOM 571 O LYS A 58 -3.722 -7.268 -17.384 1.00 21.16 O ATOM 572 CB LYS A 58 -3.302 -8.257 -20.457 1.00 23.23 C ATOM 573 CG LYS A 58 -3.362 -8.149 -21.961 1.00 28.73 C ATOM 574 CD LYS A 58 -4.412 -9.075 -22.553 1.00 32.73 C ATOM 575 CE LYS A 58 -4.570 -8.809 -24.046 1.00 35.54 C ATOM 576 NZ LYS A 58 -5.735 -9.532 -24.635 1.00 43.78 N ATOM 577 HZ1 LYS A 58 -5.609 -10.556 -24.503 1.00 0.00 H ATOM 578 HZ2 LYS A 58 -6.608 -9.225 -24.160 1.00 0.00 H ATOM 579 HZ3 LYS A 58 -5.797 -9.317 -25.651 1.00 0.00 H ATOM 580 H LYS A 58 -3.690 -5.574 -18.997 1.00 0.00 H ATOM 581 N ASN A 59 -5.019 -9.030 -17.933 1.00 17.38 N ATOM 582 CA ASN A 59 -4.836 -9.736 -16.674 1.00 18.07 C ATOM 583 C ASN A 59 -4.088 -11.026 -16.976 1.00 21.63 C ATOM 584 O ASN A 59 -4.401 -11.718 -17.952 1.00 24.09 O ATOM 585 CB ASN A 59 -6.174 -10.027 -15.989 1.00 20.49 C ATOM 586 CG ASN A 59 -6.942 -8.762 -15.636 1.00 23.95 C ATOM 587 OD1 ASN A 59 -6.358 -7.713 -15.371 1.00 20.45 O ATOM 588 ND2 ASN A 59 -8.265 -8.859 -15.645 1.00 30.90 N ATOM 589 HD22 ASN A 59 -8.718 -9.766 -15.875 1.00 0.00 H ATOM 590 HD21 ASN A 59 -8.849 -8.028 -15.422 1.00 0.00 H ATOM 591 H ASN A 59 -5.699 -9.404 -18.625 1.00 0.00 H ATOM 592 N THR A 60 -3.065 -11.314 -16.183 1.00 15.38 N ATOM 593 CA THR A 60 -2.234 -12.488 -16.407 1.00 15.07 C ATOM 594 C THR A 60 -1.976 -13.165 -15.072 1.00 14.17 C ATOM 595 O THR A 60 -2.060 -12.550 -14.008 1.00 15.20 O ATOM 596 CB THR A 60 -0.882 -12.145 -17.059 1.00 15.10 C ATOM 597 OG1 THR A 60 -0.097 -11.365 -16.145 1.00 16.74 O ATOM 598 CG2 THR A 60 -1.060 -11.369 -18.367 1.00 19.26 C ATOM 599 HG1 THR A 60 0.772 -11.144 -16.564 1.00 0.00 H ATOM 600 H THR A 60 -2.851 -10.686 -15.382 1.00 0.00 H ATOM 601 N GLU A 61 -1.654 -14.452 -15.142 1.00 15.31 N ATOM 602 CA GLU A 61 -1.275 -15.201 -13.954 1.00 16.33 C ATOM 603 C GLU A 61 -0.307 -16.291 -14.371 1.00 16.65 C ATOM 604 O GLU A 61 -0.565 -17.004 -15.347 1.00 17.74 O ATOM 605 CB GLU A 61 -2.501 -15.810 -13.269 1.00 20.68 C ATOM 606 CG GLU A 61 -2.174 -16.819 -12.195 1.00 24.63 C ATOM 607 CD GLU A 61 -3.423 -17.428 -11.578 1.00 32.96 C ATOM 608 OE1 GLU A 61 -3.316 -18.505 -10.947 1.00 37.81 O ATOM 609 OE2 GLU A 61 -4.511 -16.828 -11.731 1.00 34.58 O ATOM 610 H GLU A 61 -1.673 -14.933 -16.064 1.00 0.00 H ATOM 611 N ILE A 62 0.812 -16.400 -13.659 1.00 13.70 N ATOM 612 CA ILE A 62 1.712 -17.540 -13.806 1.00 13.25 C ATOM 613 C ILE A 62 1.909 -18.166 -12.433 1.00 12.23 C ATOM 614 O ILE A 62 2.033 -17.456 -11.429 1.00 14.13 O ATOM 615 CB ILE A 62 3.073 -17.160 -14.433 1.00 13.25 C ATOM 616 CG1 ILE A 62 3.797 -16.091 -13.615 1.00 15.02 C ATOM 617 CG2 ILE A 62 2.900 -16.702 -15.885 1.00 17.13 C ATOM 618 CD1 ILE A 62 5.208 -15.816 -14.101 1.00 17.16 C ATOM 619 H ILE A 62 1.052 -15.651 -12.978 1.00 0.00 H ATOM 620 N SER A 63 1.933 -19.495 -12.392 1.00 12.09 N ATOM 621 CA SER A 63 2.330 -20.229 -11.203 1.00 13.38 C ATOM 622 C SER A 63 3.476 -21.151 -11.589 1.00 13.51 C ATOM 623 O SER A 63 3.488 -21.706 -12.691 1.00 14.23 O ATOM 624 CB SER A 63 1.168 -21.040 -10.624 1.00 15.59 C ATOM 625 OG SER A 63 0.154 -20.171 -10.160 1.00 16.49 O ATOM 626 HG SER A 63 0.523 -19.582 -9.455 1.00 0.00 H ATOM 627 H SER A 63 1.658 -20.028 -13.242 1.00 0.00 H ATOM 628 N PHE A 64 4.459 -21.279 -10.704 1.00 11.43 N ATOM 629 CA PHE A 64 5.663 -21.998 -11.090 1.00 11.05 C ATOM 630 C PHE A 64 6.397 -22.470 -9.848 1.00 11.00 C ATOM 631 O PHE A 64 6.162 -21.988 -8.734 1.00 12.10 O ATOM 632 CB PHE A 64 6.583 -21.118 -11.946 1.00 12.81 C ATOM 633 CG PHE A 64 6.971 -19.820 -11.277 1.00 12.58 C ATOM 634 CD1 PHE A 64 6.169 -18.684 -11.398 1.00 12.77 C ATOM 635 CD2 PHE A 64 8.132 -19.737 -10.519 1.00 14.06 C ATOM 636 CE1 PHE A 64 6.523 -17.493 -10.774 1.00 12.24 C ATOM 637 CE2 PHE A 64 8.496 -18.544 -9.892 1.00 12.81 C ATOM 638 CZ PHE A 64 7.696 -17.423 -10.017 1.00 12.61 C ATOM 639 H PHE A 64 4.369 -20.872 -9.751 1.00 0.00 H ATOM 640 N ILE A 65 7.291 -23.427 -10.075 1.00 12.74 N ATOM 641 CA ILE A 65 8.233 -23.923 -9.083 1.00 12.54 C ATOM 642 C ILE A 65 9.617 -23.497 -9.552 1.00 11.27 C ATOM 643 O ILE A 65 9.919 -23.568 -10.750 1.00 13.16 O ATOM 644 CB ILE A 65 8.112 -25.453 -8.934 1.00 14.32 C ATOM 645 CG1 ILE A 65 6.697 -25.807 -8.444 1.00 15.84 C ATOM 646 CG2 ILE A 65 9.191 -25.993 -8.004 1.00 15.25 C ATOM 647 CD1 ILE A 65 6.398 -27.293 -8.400 1.00 16.69 C ATOM 648 H ILE A 65 7.319 -23.849 -11.025 1.00 0.00 H ATOM 649 N LEU A 66 10.438 -23.000 -8.630 1.00 12.97 N ATOM 650 CA LEU A 66 11.760 -22.525 -9.023 1.00 13.45 C ATOM 651 C LEU A 66 12.543 -23.628 -9.726 1.00 13.77 C ATOM 652 O LEU A 66 12.528 -24.793 -9.310 1.00 15.53 O ATOM 653 CB LEU A 66 12.533 -22.011 -7.805 1.00 14.42 C ATOM 654 CG LEU A 66 11.915 -20.792 -7.109 1.00 16.67 C ATOM 655 CD1 LEU A 66 12.590 -20.530 -5.771 1.00 16.50 C ATOM 656 CD2 LEU A 66 11.980 -19.556 -8.008 1.00 15.53 C ATOM 657 H LEU A 66 10.139 -22.951 -7.635 1.00 0.00 H ATOM 658 N GLY A 67 13.186 -23.262 -10.834 1.00 13.07 N ATOM 659 CA GLY A 67 14.028 -24.165 -11.584 1.00 12.35 C ATOM 660 C GLY A 67 13.300 -25.081 -12.542 1.00 14.19 C ATOM 661 O GLY A 67 13.959 -25.869 -13.237 1.00 15.47 O ATOM 662 H GLY A 67 13.077 -22.285 -11.173 1.00 0.00 H ATOM 663 N GLN A 68 11.972 -24.988 -12.630 1.00 12.99 N ATOM 664 CA GLN A 68 11.163 -25.910 -13.420 1.00 13.17 C ATOM 665 C GLN A 68 10.476 -25.147 -14.545 1.00 14.15 C ATOM 666 O GLN A 68 9.606 -24.306 -14.290 1.00 13.57 O ATOM 667 CB GLN A 68 10.140 -26.623 -12.535 1.00 13.62 C ATOM 668 CG GLN A 68 10.821 -27.322 -11.366 1.00 13.91 C ATOM 669 CD GLN A 68 9.963 -28.383 -10.716 1.00 17.95 C ATOM 670 OE1 GLN A 68 8.812 -28.587 -11.086 1.00 20.81 O ATOM 671 NE2 GLN A 68 10.541 -29.086 -9.758 1.00 21.52 N ATOM 672 HE22 GLN A 68 11.520 -28.876 -9.478 1.00 0.00 H ATOM 673 HE21 GLN A 68 10.017 -29.849 -9.284 1.00 0.00 H ATOM 674 H GLN A 68 11.492 -24.224 -12.112 1.00 0.00 H ATOM 675 N GLU A 69 10.847 -25.476 -15.781 1.00 14.31 N ATOM 676 CA GLU A 69 10.341 -24.772 -16.956 1.00 12.61 C ATOM 677 C GLU A 69 8.823 -24.903 -17.081 1.00 12.60 C ATOM 678 O GLU A 69 8.240 -25.954 -16.779 1.00 15.04 O ATOM 679 CB GLU A 69 11.030 -25.322 -18.214 1.00 15.46 C ATOM 680 CG GLU A 69 10.634 -24.609 -19.513 1.00 16.19 C ATOM 681 CD GLU A 69 11.436 -25.075 -20.721 1.00 24.23 C ATOM 682 OE1 GLU A 69 12.174 -24.245 -21.304 1.00 24.82 O ATOM 683 OE2 GLU A 69 11.326 -26.264 -21.084 1.00 26.80 O ATOM 684 H GLU A 69 11.518 -26.259 -15.914 1.00 0.00 H ATOM 685 N PHE A 70 8.184 -23.833 -17.569 1.00 11.97 N ATOM 686 CA PHE A 70 6.746 -23.833 -17.790 1.00 12.90 C ATOM 687 C PHE A 70 6.411 -23.053 -19.056 1.00 14.38 C ATOM 688 O PHE A 70 7.233 -22.314 -19.597 1.00 14.65 O ATOM 689 CB PHE A 70 5.970 -23.261 -16.589 1.00 13.43 C ATOM 690 CG PHE A 70 6.354 -21.846 -16.205 1.00 13.65 C ATOM 691 CD1 PHE A 70 7.475 -21.605 -15.429 1.00 14.53 C ATOM 692 CD2 PHE A 70 5.576 -20.765 -16.602 1.00 16.57 C ATOM 693 CE1 PHE A 70 7.835 -20.314 -15.066 1.00 14.49 C ATOM 694 CE2 PHE A 70 5.921 -19.462 -16.221 1.00 14.37 C ATOM 695 CZ PHE A 70 7.060 -19.242 -15.447 1.00 14.17 C ATOM 696 H PHE A 70 8.731 -22.978 -17.797 1.00 0.00 H ATOM 697 N ASP A 71 5.184 -23.258 -19.536 1.00 14.85 N ATOM 698 CA ASP A 71 4.644 -22.524 -20.672 1.00 16.53 C ATOM 699 C ASP A 71 4.003 -21.238 -20.181 1.00 15.69 C ATOM 700 O ASP A 71 3.220 -21.255 -19.226 1.00 19.28 O ATOM 701 CB ASP A 71 3.590 -23.354 -21.404 1.00 19.09 C ATOM 702 CG ASP A 71 4.143 -24.627 -21.957 1.00 26.59 C ATOM 703 OD1 ASP A 71 5.089 -24.538 -22.767 1.00 25.67 O ATOM 704 OD2 ASP A 71 3.627 -25.712 -21.581 1.00 24.52 O ATOM 705 H ASP A 71 4.585 -23.975 -19.078 1.00 0.00 H ATOM 706 N GLU A 72 4.322 -20.126 -20.837 1.00 13.95 N ATOM 707 CA GLU A 72 3.759 -18.839 -20.458 1.00 16.36 C ATOM 708 C GLU A 72 3.221 -18.163 -21.707 1.00 13.80 C ATOM 709 O GLU A 72 3.898 -18.138 -22.735 1.00 16.80 O ATOM 710 CB GLU A 72 4.809 -17.935 -19.777 1.00 14.44 C ATOM 711 CG GLU A 72 4.294 -16.545 -19.362 1.00 15.89 C ATOM 712 CD GLU A 72 5.370 -15.648 -18.751 1.00 15.97 C ATOM 713 OE1 GLU A 72 6.572 -15.998 -18.816 1.00 16.86 O ATOM 714 OE2 GLU A 72 4.999 -14.577 -18.213 1.00 17.49 O ATOM 715 H GLU A 72 4.986 -20.177 -21.636 1.00 0.00 H ATOM 716 N VAL A 73 2.007 -17.632 -21.621 1.00 16.56 N ATOM 717 CA VAL A 73 1.501 -16.719 -22.642 1.00 16.59 C ATOM 718 C VAL A 73 1.591 -15.325 -22.040 1.00 16.05 C ATOM 719 O VAL A 73 0.901 -15.007 -21.067 1.00 18.06 O ATOM 720 CB VAL A 73 0.072 -17.058 -23.084 1.00 20.42 C ATOM 721 CG1 VAL A 73 -0.384 -16.074 -24.167 1.00 23.00 C ATOM 722 CG2 VAL A 73 -0.002 -18.485 -23.599 1.00 23.89 C ATOM 723 H VAL A 73 1.403 -17.872 -20.809 1.00 0.00 H ATOM 724 N THR A 74 2.477 -14.504 -22.593 1.00 14.52 N ATOM 725 CA THR A 74 2.763 -13.203 -22.007 1.00 15.28 C ATOM 726 C THR A 74 1.628 -12.219 -22.293 1.00 15.83 C ATOM 727 O THR A 74 0.742 -12.469 -23.116 1.00 16.40 O ATOM 728 CB THR A 74 4.085 -12.663 -22.545 1.00 14.64 C ATOM 729 OG1 THR A 74 3.960 -12.432 -23.953 1.00 14.50 O ATOM 730 CG2 THR A 74 5.211 -13.655 -22.295 1.00 13.96 C ATOM 731 HG1 THR A 74 3.240 -11.772 -24.115 1.00 0.00 H ATOM 732 H THR A 74 2.974 -14.796 -23.459 1.00 0.00 H ATOM 733 N ALA A 75 1.668 -11.076 -21.598 1.00 16.75 N ATOM 734 CA ALA A 75 0.635 -10.055 -21.774 1.00 17.26 C ATOM 735 C ALA A 75 0.567 -9.558 -23.211 1.00 20.13 C ATOM 736 O ALA A 75 -0.519 -9.218 -23.698 1.00 19.76 O ATOM 737 CB ALA A 75 0.882 -8.880 -20.832 1.00 18.18 C ATOM 738 H ALA A 75 2.443 -10.911 -20.924 1.00 0.00 H ATOM 739 N ASP A 76 1.703 -9.511 -23.902 1.00 17.54 N ATOM 740 CA ASP A 76 1.745 -9.112 -25.304 1.00 15.39 C ATOM 741 C ASP A 76 1.533 -10.281 -26.268 1.00 20.23 C ATOM 742 O ASP A 76 1.800 -10.132 -27.466 1.00 22.08 O ATOM 743 CB ASP A 76 3.070 -8.408 -25.610 1.00 18.36 C ATOM 744 CG ASP A 76 4.271 -9.284 -25.346 1.00 16.91 C ATOM 745 OD1 ASP A 76 4.390 -9.815 -24.211 1.00 15.21 O ATOM 746 OD2 ASP A 76 5.089 -9.442 -26.280 1.00 17.73 O ATOM 747 H ASP A 76 2.591 -9.768 -23.426 1.00 0.00 H ATOM 748 N ASP A 77 1.083 -11.435 -25.761 1.00 18.81 N ATOM 749 CA ASP A 77 0.642 -12.586 -26.555 1.00 22.17 C ATOM 750 C ASP A 77 1.795 -13.326 -27.225 1.00 21.24 C ATOM 751 O ASP A 77 1.630 -13.890 -28.310 1.00 24.28 O ATOM 752 CB ASP A 77 -0.407 -12.192 -27.604 1.00 23.96 C ATOM 753 CG ASP A 77 -1.422 -13.298 -27.851 1.00 37.44 C ATOM 754 OD1 ASP A 77 -1.849 -13.944 -26.870 1.00 43.70 O ATOM 755 OD2 ASP A 77 -1.794 -13.525 -29.024 1.00 42.97 O ATOM 756 H ASP A 77 1.043 -11.522 -24.725 1.00 0.00 H ATOM 757 N ARG A 78 2.968 -13.347 -26.603 1.00 16.73 N ATOM 758 CA ARG A 78 3.984 -14.321 -26.979 1.00 16.13 C ATOM 759 C ARG A 78 3.728 -15.630 -26.241 1.00 15.95 C ATOM 760 O ARG A 78 3.327 -15.628 -25.076 1.00 18.22 O ATOM 761 CB ARG A 78 5.388 -13.814 -26.642 1.00 16.21 C ATOM 762 CG ARG A 78 5.923 -12.712 -27.560 1.00 15.22 C ATOM 763 CD ARG A 78 7.237 -12.124 -27.010 1.00 15.35 C ATOM 764 NE ARG A 78 6.971 -11.394 -25.776 1.00 14.73 N ATOM 765 CZ ARG A 78 7.635 -11.532 -24.624 1.00 14.78 C ATOM 766 NH1 ARG A 78 8.688 -12.349 -24.509 1.00 13.73 N ATOM 767 NH2 ARG A 78 7.240 -10.821 -23.577 1.00 15.99 N ATOM 768 HE ARG A 78 6.194 -10.703 -25.794 1.00 0.00 H ATOM 769 HH12 ARG A 78 9.183 -12.434 -23.598 1.00 0.00 H ATOM 770 HH11 ARG A 78 9.011 -12.899 -25.330 1.00 0.00 H ATOM 771 HH22 ARG A 78 7.740 -10.910 -22.669 1.00 0.00 H ATOM 772 HH21 ARG A 78 6.430 -10.174 -23.663 1.00 0.00 H ATOM 773 H ARG A 78 3.163 -12.664 -25.843 1.00 0.00 H ATOM 774 N LYS A 79 3.942 -16.749 -26.929 1.00 15.86 N ATOM 775 CA LYS A 79 3.923 -18.063 -26.292 1.00 16.46 C ATOM 776 C LYS A 79 5.377 -18.429 -26.034 1.00 15.73 C ATOM 777 O LYS A 79 6.142 -18.654 -26.975 1.00 17.07 O ATOM 778 CB LYS A 79 3.220 -19.098 -27.168 1.00 18.11 C ATOM 779 CG LYS A 79 1.695 -19.049 -27.082 1.00 26.77 C ATOM 780 CD LYS A 79 1.110 -17.936 -27.949 1.00 35.03 C ATOM 781 CE LYS A 79 -0.415 -17.995 -27.981 1.00 39.08 C ATOM 782 NZ LYS A 79 -1.024 -16.646 -28.162 1.00 42.89 N ATOM 783 HZ1 LYS A 79 -0.739 -16.030 -27.374 1.00 0.00 H ATOM 784 HZ2 LYS A 79 -0.696 -16.236 -29.060 1.00 0.00 H ATOM 785 HZ3 LYS A 79 -2.060 -16.734 -28.178 1.00 0.00 H ATOM 786 H LYS A 79 4.128 -16.686 -27.950 1.00 0.00 H ATOM 787 N VAL A 80 5.776 -18.436 -24.762 1.00 14.92 N ATOM 788 CA VAL A 80 7.185 -18.566 -24.424 1.00 14.27 C ATOM 789 C VAL A 80 7.384 -19.756 -23.497 1.00 13.97 C ATOM 790 O VAL A 80 6.460 -20.229 -22.830 1.00 14.80 O ATOM 791 CB VAL A 80 7.753 -17.289 -23.769 1.00 12.85 C ATOM 792 CG1 VAL A 80 7.398 -16.042 -24.593 1.00 15.00 C ATOM 793 CG2 VAL A 80 7.227 -17.142 -22.355 1.00 12.04 C ATOM 794 H VAL A 80 5.071 -18.347 -24.002 1.00 0.00 H ATOM 795 N LYS A 81 8.617 -20.240 -23.468 1.00 13.64 N ATOM 796 CA LYS A 81 9.066 -21.169 -22.445 1.00 14.76 C ATOM 797 C LYS A 81 9.805 -20.373 -21.383 1.00 13.62 C ATOM 798 O LYS A 81 10.747 -19.642 -21.701 1.00 14.73 O ATOM 799 CB LYS A 81 9.980 -22.240 -23.030 1.00 15.63 C ATOM 800 CG LYS A 81 9.311 -23.067 -24.116 1.00 20.21 C ATOM 801 CD LYS A 81 8.359 -24.083 -23.528 1.00 20.23 C ATOM 802 CE LYS A 81 8.029 -25.172 -24.556 1.00 23.77 C ATOM 803 NZ LYS A 81 6.832 -25.945 -24.123 1.00 32.13 N ATOM 804 HZ1 LYS A 81 7.023 -26.392 -23.204 1.00 0.00 H ATOM 805 HZ2 LYS A 81 6.019 -25.302 -24.035 1.00 0.00 H ATOM 806 HZ3 LYS A 81 6.621 -26.679 -24.829 1.00 0.00 H ATOM 807 H LYS A 81 9.288 -19.944 -24.205 1.00 0.00 H ATOM 808 N SER A 82 9.376 -20.512 -20.132 1.00 12.53 N ATOM 809 CA SER A 82 9.895 -19.701 -19.041 1.00 11.39 C ATOM 810 C SER A 82 10.513 -20.573 -17.963 1.00 11.22 C ATOM 811 O SER A 82 9.982 -21.631 -17.630 1.00 12.87 O ATOM 812 CB SER A 82 8.795 -18.862 -18.416 1.00 13.54 C ATOM 813 OG SER A 82 8.452 -17.795 -19.283 1.00 13.95 O ATOM 814 HG SER A 82 7.735 -17.253 -18.869 1.00 0.00 H ATOM 815 H SER A 82 8.646 -21.224 -19.927 1.00 0.00 H ATOM 816 N THR A 83 11.629 -20.116 -17.405 1.00 11.27 N ATOM 817 CA THR A 83 12.220 -20.739 -16.231 1.00 11.26 C ATOM 818 C THR A 83 12.592 -19.637 -15.262 1.00 12.22 C ATOM 819 O THR A 83 13.210 -18.643 -15.661 1.00 12.27 O ATOM 820 CB THR A 83 13.458 -21.569 -16.572 1.00 13.84 C ATOM 821 OG1 THR A 83 13.118 -22.532 -17.581 1.00 15.10 O ATOM 822 CG2 THR A 83 13.988 -22.295 -15.325 1.00 15.80 C ATOM 823 HG1 THR A 83 13.918 -23.071 -17.804 1.00 0.00 H ATOM 824 H THR A 83 12.095 -19.285 -17.822 1.00 0.00 H ATOM 825 N ILE A 84 12.211 -19.800 -14.000 1.00 11.42 N ATOM 826 CA ILE A 84 12.466 -18.786 -12.985 1.00 11.68 C ATOM 827 C ILE A 84 13.262 -19.436 -11.867 1.00 11.78 C ATOM 828 O ILE A 84 12.885 -20.505 -11.372 1.00 12.65 O ATOM 829 CB ILE A 84 11.167 -18.164 -12.443 1.00 10.43 C ATOM 830 CG1 ILE A 84 10.375 -17.522 -13.583 1.00 12.16 C ATOM 831 CG2 ILE A 84 11.483 -17.139 -11.335 1.00 12.70 C ATOM 832 CD1 ILE A 84 9.073 -16.880 -13.158 1.00 13.29 C ATOM 833 H ILE A 84 11.718 -20.675 -13.729 1.00 0.00 H ATOM 834 N THR A 85 14.366 -18.801 -11.484 1.00 12.06 N ATOM 835 CA THR A 85 15.211 -19.284 -10.407 1.00 13.41 C ATOM 836 C THR A 85 15.426 -18.159 -9.406 1.00 14.35 C ATOM 837 O THR A 85 15.117 -16.997 -9.669 1.00 13.96 O ATOM 838 CB THR A 85 16.555 -19.797 -10.944 1.00 15.79 C ATOM 839 OG1 THR A 85 17.178 -18.775 -11.727 1.00 19.39 O ATOM 840 CG2 THR A 85 16.343 -21.038 -11.826 1.00 17.09 C ATOM 841 HG1 THR A 85 16.588 -18.537 -12.486 1.00 0.00 H ATOM 842 H THR A 85 14.634 -17.924 -11.975 1.00 0.00 H ATOM 843 N LEU A 86 15.949 -18.512 -8.238 1.00 15.65 N ATOM 844 CA LEU A 86 16.321 -17.551 -7.212 1.00 16.44 C ATOM 845 C LEU A 86 17.838 -17.508 -7.153 1.00 21.19 C ATOM 846 O LEU A 86 18.478 -18.533 -6.891 1.00 24.70 O ATOM 847 CB LEU A 86 15.747 -17.946 -5.851 1.00 20.24 C ATOM 848 CG LEU A 86 14.573 -17.180 -5.252 1.00 26.31 C ATOM 849 CD1 LEU A 86 14.315 -17.702 -3.846 1.00 22.99 C ATOM 850 CD2 LEU A 86 14.806 -15.674 -5.240 1.00 20.65 C ATOM 851 H LEU A 86 16.100 -19.523 -8.048 1.00 0.00 H ATOM 852 N ASP A 87 18.407 -16.332 -7.390 1.00 17.28 N ATOM 853 CA ASP A 87 19.852 -16.119 -7.343 1.00 21.57 C ATOM 854 C ASP A 87 20.125 -15.009 -6.335 1.00 18.87 C ATOM 855 O ASP A 87 19.904 -13.829 -6.623 1.00 18.26 O ATOM 856 CB ASP A 87 20.406 -15.765 -8.718 1.00 24.47 C ATOM 857 CG ASP A 87 21.851 -15.286 -8.663 1.00 32.79 C ATOM 858 OD1 ASP A 87 22.621 -15.786 -7.807 1.00 31.55 O ATOM 859 OD2 ASP A 87 22.213 -14.403 -9.474 1.00 36.05 O ATOM 860 H ASP A 87 17.795 -15.523 -7.620 1.00 0.00 H ATOM 861 N GLY A 88 20.614 -15.388 -5.157 1.00 18.26 N ATOM 862 CA GLY A 88 20.946 -14.412 -4.133 1.00 21.56 C ATOM 863 C GLY A 88 19.845 -13.407 -3.866 1.00 21.79 C ATOM 864 O GLY A 88 20.086 -12.195 -3.871 1.00 23.01 O ATOM 865 H GLY A 88 20.761 -16.400 -4.966 1.00 0.00 H ATOM 866 N GLY A 89 18.628 -13.898 -3.647 1.00 21.33 N ATOM 867 CA GLY A 89 17.507 -13.039 -3.335 1.00 17.76 C ATOM 868 C GLY A 89 16.772 -12.475 -4.534 1.00 17.91 C ATOM 869 O GLY A 89 15.727 -11.831 -4.357 1.00 18.38 O ATOM 870 H GLY A 89 18.479 -14.926 -3.702 1.00 0.00 H ATOM 871 N VAL A 90 17.271 -12.697 -5.746 1.00 13.97 N ATOM 872 CA VAL A 90 16.709 -12.102 -6.951 1.00 14.39 C ATOM 873 C VAL A 90 16.001 -13.191 -7.740 1.00 13.63 C ATOM 874 O VAL A 90 16.586 -14.247 -8.007 1.00 14.42 O ATOM 875 CB VAL A 90 17.801 -11.442 -7.805 1.00 13.19 C ATOM 876 CG1 VAL A 90 17.202 -10.892 -9.105 1.00 15.46 C ATOM 877 CG2 VAL A 90 18.510 -10.359 -7.005 1.00 18.60 C ATOM 878 H VAL A 90 18.097 -13.322 -5.838 1.00 0.00 H ATOM 879 N LEU A 91 14.741 -12.950 -8.099 1.00 12.50 N ATOM 880 CA LEU A 91 14.039 -13.857 -8.997 1.00 12.14 C ATOM 881 C LEU A 91 14.517 -13.574 -10.410 1.00 12.07 C ATOM 882 O LEU A 91 14.415 -12.438 -10.890 1.00 12.17 O ATOM 883 CB LEU A 91 12.526 -13.680 -8.899 1.00 14.68 C ATOM 884 CG LEU A 91 11.844 -14.243 -7.653 1.00 14.04 C ATOM 885 CD1 LEU A 91 10.403 -13.744 -7.604 1.00 16.59 C ATOM 886 CD2 LEU A 91 11.880 -15.763 -7.638 1.00 15.51 C ATOM 887 H LEU A 91 14.254 -12.106 -7.735 1.00 0.00 H ATOM 888 N VAL A 92 15.077 -14.586 -11.059 1.00 12.80 N ATOM 889 CA VAL A 92 15.626 -14.454 -12.402 1.00 11.98 C ATOM 890 C VAL A 92 14.746 -15.271 -13.333 1.00 11.80 C ATOM 891 O VAL A 92 14.650 -16.497 -13.192 1.00 13.16 O ATOM 892 CB VAL A 92 17.092 -14.914 -12.466 1.00 11.59 C ATOM 893 CG1 VAL A 92 17.624 -14.803 -13.875 1.00 13.48 C ATOM 894 CG2 VAL A 92 17.940 -14.090 -11.482 1.00 15.00 C ATOM 895 H VAL A 92 15.126 -15.513 -10.590 1.00 0.00 H ATOM 896 N HIS A 93 14.123 -14.596 -14.294 1.00 11.78 N ATOM 897 CA HIS A 93 13.088 -15.166 -15.153 1.00 11.62 C ATOM 898 C HIS A 93 13.562 -15.062 -16.596 1.00 13.72 C ATOM 899 O HIS A 93 13.763 -13.959 -17.108 1.00 12.97 O ATOM 900 CB HIS A 93 11.778 -14.403 -14.927 1.00 12.95 C ATOM 901 CG HIS A 93 10.630 -14.827 -15.792 1.00 13.39 C ATOM 902 ND1 HIS A 93 9.382 -14.257 -15.664 1.00 13.52 N ATOM 903 CD2 HIS A 93 10.524 -15.755 -16.775 1.00 14.96 C ATOM 904 CE1 HIS A 93 8.553 -14.818 -16.529 1.00 14.03 C ATOM 905 NE2 HIS A 93 9.223 -15.721 -17.225 1.00 14.01 N ATOM 906 H HIS A 93 14.389 -13.602 -14.443 1.00 0.00 H ATOM 907 N VAL A 94 13.782 -16.200 -17.244 1.00 12.47 N ATOM 908 CA VAL A 94 14.190 -16.220 -18.641 1.00 11.27 C ATOM 909 C VAL A 94 13.000 -16.674 -19.473 1.00 13.98 C ATOM 910 O VAL A 94 12.392 -17.706 -19.169 1.00 12.85 O ATOM 911 CB VAL A 94 15.406 -17.136 -18.864 1.00 14.32 C ATOM 912 CG1 VAL A 94 15.847 -17.091 -20.328 1.00 19.26 C ATOM 913 CG2 VAL A 94 16.549 -16.733 -17.933 1.00 19.45 C ATOM 914 H VAL A 94 13.659 -17.101 -16.740 1.00 0.00 H ATOM 915 N GLN A 95 12.658 -15.899 -20.504 1.00 12.11 N ATOM 916 CA GLN A 95 11.638 -16.270 -21.480 1.00 11.20 C ATOM 917 C GLN A 95 12.314 -16.579 -22.808 1.00 13.69 C ATOM 918 O GLN A 95 13.153 -15.798 -23.271 1.00 14.89 O ATOM 919 CB GLN A 95 10.617 -15.152 -21.688 1.00 13.67 C ATOM 920 CG GLN A 95 9.778 -14.801 -20.465 1.00 12.89 C ATOM 921 CD GLN A 95 8.935 -13.567 -20.716 1.00 12.38 C ATOM 922 OE1 GLN A 95 9.269 -12.743 -21.566 1.00 13.41 O ATOM 923 NE2 GLN A 95 7.835 -13.438 -19.993 1.00 13.89 N ATOM 924 HE22 GLN A 95 7.591 -14.159 -19.285 1.00 0.00 H ATOM 925 HE21 GLN A 95 7.214 -12.615 -20.133 1.00 0.00 H ATOM 926 H GLN A 95 13.142 -14.986 -20.618 1.00 0.00 H ATOM 927 N LYS A 96 11.928 -17.695 -23.430 1.00 13.93 N ATOM 928 CA LYS A 96 12.502 -18.123 -24.698 1.00 15.36 C ATOM 929 C LYS A 96 11.390 -18.377 -25.702 1.00 15.70 C ATOM 930 O LYS A 96 10.405 -19.048 -25.379 1.00 16.24 O ATOM 931 CB LYS A 96 13.337 -19.389 -24.520 1.00 19.41 C ATOM 932 CG LYS A 96 14.575 -19.141 -23.681 1.00 26.91 C ATOM 933 CD LYS A 96 15.571 -20.268 -23.800 1.00 34.09 C ATOM 934 CE LYS A 96 16.855 -19.900 -23.078 1.00 35.26 C ATOM 935 NZ LYS A 96 17.657 -18.889 -23.827 1.00 38.30 N ATOM 936 HZ1 LYS A 96 17.910 -19.272 -24.760 1.00 0.00 H ATOM 937 HZ2 LYS A 96 17.095 -18.022 -23.947 1.00 0.00 H ATOM 938 HZ3 LYS A 96 18.523 -18.671 -23.294 1.00 0.00 H ATOM 939 H LYS A 96 11.189 -18.281 -22.992 1.00 0.00 H ATOM 940 N TRP A 97 11.543 -17.835 -26.909 1.00 15.61 N ATOM 941 CA TRP A 97 10.557 -18.045 -27.960 1.00 16.94 C ATOM 942 C TRP A 97 11.187 -17.681 -29.296 1.00 21.50 C ATOM 943 O TRP A 97 11.999 -16.757 -29.365 1.00 21.51 O ATOM 944 CB TRP A 97 9.297 -17.200 -27.719 1.00 18.00 C ATOM 945 CG TRP A 97 9.493 -15.756 -28.072 1.00 17.27 C ATOM 946 CD1 TRP A 97 8.997 -15.112 -29.170 1.00 18.96 C ATOM 947 CD2 TRP A 97 10.270 -14.782 -27.354 1.00 16.28 C ATOM 948 NE1 TRP A 97 9.397 -13.799 -29.172 1.00 19.03 N ATOM 949 CE2 TRP A 97 10.180 -13.568 -28.072 1.00 17.03 C ATOM 950 CE3 TRP A 97 11.017 -14.812 -26.170 1.00 15.54 C ATOM 951 CZ2 TRP A 97 10.815 -12.399 -27.655 1.00 17.62 C ATOM 952 CZ3 TRP A 97 11.648 -13.645 -25.752 1.00 15.25 C ATOM 953 CH2 TRP A 97 11.536 -12.451 -26.491 1.00 14.21 C ATOM 954 HE1 TRP A 97 9.146 -13.093 -29.893 1.00 0.00 H ATOM 955 H TRP A 97 12.381 -17.251 -27.104 1.00 0.00 H ATOM 956 N ASP A 98 10.825 -18.422 -30.348 1.00 24.85 N ATOM 957 CA ASP A 98 11.205 -18.062 -31.722 1.00 24.71 C ATOM 958 C ASP A 98 12.705 -17.798 -31.850 1.00 24.42 C ATOM 959 O ASP A 98 13.138 -16.890 -32.563 1.00 30.60 O ATOM 960 CB ASP A 98 10.406 -16.845 -32.201 1.00 29.29 C ATOM 961 CG ASP A 98 10.354 -16.732 -33.718 1.00 40.63 C ATOM 962 OD1 ASP A 98 10.248 -15.591 -34.225 1.00 45.78 O ATOM 963 OD2 ASP A 98 10.421 -17.777 -34.402 1.00 42.09 O ATOM 964 H ASP A 98 10.257 -19.279 -30.190 1.00 0.00 H ATOM 965 N GLY A 99 13.508 -18.583 -31.138 1.00 24.00 N ATOM 966 CA GLY A 99 14.948 -18.384 -31.148 1.00 23.81 C ATOM 967 C GLY A 99 15.449 -17.150 -30.427 1.00 27.89 C ATOM 968 O GLY A 99 16.631 -16.811 -30.554 1.00 29.41 O ATOM 969 H GLY A 99 13.100 -19.350 -30.566 1.00 0.00 H ATOM 970 N LYS A 100 14.593 -16.461 -29.683 1.00 22.19 N ATOM 971 CA LYS A 100 14.969 -15.281 -28.922 1.00 18.78 C ATOM 972 C LYS A 100 14.901 -15.584 -27.433 1.00 16.97 C ATOM 973 O LYS A 100 14.312 -16.579 -27.002 1.00 16.09 O ATOM 974 CB LYS A 100 14.046 -14.107 -29.243 1.00 18.29 C ATOM 975 CG LYS A 100 14.140 -13.603 -30.669 1.00 23.63 C ATOM 976 CD LYS A 100 13.230 -12.412 -30.847 1.00 27.84 C ATOM 977 CE LYS A 100 11.940 -12.814 -31.512 1.00 33.58 C ATOM 978 NZ LYS A 100 12.163 -13.027 -32.969 1.00 37.99 N ATOM 979 HZ1 LYS A 100 12.510 -12.145 -33.398 1.00 0.00 H ATOM 980 HZ2 LYS A 100 12.868 -13.780 -33.104 1.00 0.00 H ATOM 981 HZ3 LYS A 100 11.267 -13.304 -33.419 1.00 0.00 H ATOM 982 H LYS A 100 13.604 -16.781 -29.642 1.00 0.00 H ATOM 983 N SER A 101 15.493 -14.695 -26.640 1.00 16.03 N ATOM 984 CA SER A 101 15.366 -14.847 -25.200 1.00 14.47 C ATOM 985 C SER A 101 15.475 -13.480 -24.540 1.00 16.26 C ATOM 986 O SER A 101 16.166 -12.585 -25.033 1.00 17.14 O ATOM 987 CB SER A 101 16.412 -15.820 -24.639 1.00 21.57 C ATOM 988 OG SER A 101 17.600 -15.162 -24.242 1.00 33.21 O ATOM 989 HG SER A 101 17.389 -14.499 -23.538 1.00 0.00 H ATOM 990 H SER A 101 16.037 -13.905 -27.043 1.00 0.00 H ATOM 991 N THR A 102 14.754 -13.320 -23.432 1.00 13.22 N ATOM 992 CA THR A 102 14.837 -12.107 -22.634 1.00 13.17 C ATOM 993 C THR A 102 14.883 -12.519 -21.172 1.00 13.25 C ATOM 994 O THR A 102 14.413 -13.599 -20.808 1.00 12.64 O ATOM 995 CB THR A 102 13.657 -11.147 -22.931 1.00 13.90 C ATOM 996 OG1 THR A 102 13.849 -9.903 -22.236 1.00 15.71 O ATOM 997 CG2 THR A 102 12.321 -11.740 -22.514 1.00 13.42 C ATOM 998 HG1 THR A 102 13.091 -9.297 -22.431 1.00 0.00 H ATOM 999 H THR A 102 14.115 -14.082 -23.129 1.00 0.00 H ATOM 1000 N THR A 103 15.512 -11.686 -20.348 1.00 13.30 N ATOM 1001 CA THR A 103 15.667 -11.962 -18.928 1.00 13.52 C ATOM 1002 C THR A 103 14.989 -10.858 -18.135 1.00 14.50 C ATOM 1003 O THR A 103 15.192 -9.671 -18.412 1.00 14.70 O ATOM 1004 CB THR A 103 17.142 -12.079 -18.539 1.00 15.54 C ATOM 1005 OG1 THR A 103 17.732 -13.146 -19.288 1.00 19.02 O ATOM 1006 CG2 THR A 103 17.285 -12.374 -17.050 1.00 19.04 C ATOM 1007 HG1 THR A 103 17.654 -12.951 -20.255 1.00 0.00 H ATOM 1008 H THR A 103 15.908 -10.805 -20.733 1.00 0.00 H ATOM 1009 N ILE A 104 14.170 -11.258 -17.170 1.00 13.08 N ATOM 1010 CA ILE A 104 13.449 -10.359 -16.282 1.00 11.33 C ATOM 1011 C ILE A 104 13.924 -10.664 -14.870 1.00 11.42 C ATOM 1012 O ILE A 104 13.822 -11.810 -14.416 1.00 12.48 O ATOM 1013 CB ILE A 104 11.927 -10.554 -16.384 1.00 11.95 C ATOM 1014 CG1 ILE A 104 11.439 -10.366 -17.817 1.00 14.38 C ATOM 1015 CG2 ILE A 104 11.197 -9.591 -15.470 1.00 13.63 C ATOM 1016 CD1 ILE A 104 10.166 -11.132 -18.079 1.00 19.94 C ATOM 1017 H ILE A 104 14.035 -12.281 -17.040 1.00 0.00 H ATOM 1018 N LYS A 105 14.458 -9.662 -14.184 1.00 10.74 N ATOM 1019 CA LYS A 105 14.871 -9.824 -12.799 1.00 11.50 C ATOM 1020 C LYS A 105 13.930 -9.035 -11.904 1.00 12.59 C ATOM 1021 O LYS A 105 13.560 -7.905 -12.224 1.00 13.36 O ATOM 1022 CB LYS A 105 16.315 -9.358 -12.598 1.00 13.27 C ATOM 1023 CG LYS A 105 17.323 -10.256 -13.309 1.00 16.77 C ATOM 1024 CD LYS A 105 18.756 -9.846 -12.993 1.00 23.85 C ATOM 1025 CE LYS A 105 19.760 -10.790 -13.659 1.00 31.60 C ATOM 1026 NZ LYS A 105 21.164 -10.281 -13.575 1.00 37.41 N ATOM 1027 HZ1 LYS A 105 21.226 -9.358 -14.051 1.00 0.00 H ATOM 1028 HZ2 LYS A 105 21.434 -10.177 -12.576 1.00 0.00 H ATOM 1029 HZ3 LYS A 105 21.804 -10.956 -14.040 1.00 0.00 H ATOM 1030 H LYS A 105 14.584 -8.739 -14.647 1.00 0.00 H ATOM 1031 N ARG A 106 13.522 -9.646 -10.803 1.00 13.75 N ATOM 1032 CA ARG A 106 12.613 -9.041 -9.846 1.00 12.17 C ATOM 1033 C ARG A 106 13.310 -9.082 -8.498 1.00 13.36 C ATOM 1034 O ARG A 106 13.762 -10.150 -8.071 1.00 14.05 O ATOM 1035 CB ARG A 106 11.279 -9.801 -9.802 1.00 12.22 C ATOM 1036 CG ARG A 106 10.449 -9.712 -11.089 1.00 15.20 C ATOM 1037 CD ARG A 106 9.275 -10.679 -11.055 1.00 17.29 C ATOM 1038 NE ARG A 106 8.398 -10.599 -12.228 1.00 16.94 N ATOM 1039 CZ ARG A 106 8.442 -11.436 -13.261 1.00 17.89 C ATOM 1040 NH1 ARG A 106 9.343 -12.409 -13.307 1.00 16.01 N ATOM 1041 NH2 ARG A 106 7.578 -11.299 -14.262 1.00 18.00 N ATOM 1042 HE ARG A 106 7.693 -9.835 -12.254 1.00 0.00 H ATOM 1043 HH12 ARG A 106 9.367 -13.057 -14.120 1.00 0.00 H ATOM 1044 HH11 ARG A 106 10.025 -12.524 -12.530 1.00 0.00 H ATOM 1045 HH22 ARG A 106 7.611 -11.952 -15.070 1.00 0.00 H ATOM 1046 HH21 ARG A 106 6.869 -10.538 -14.237 1.00 0.00 H ATOM 1047 H ARG A 106 13.870 -10.608 -10.614 1.00 0.00 H ATOM 1048 N LYS A 107 13.445 -7.929 -7.852 1.00 15.63 N ATOM 1049 CA LYS A 107 14.170 -7.916 -6.592 1.00 15.18 C ATOM 1050 C LYS A 107 13.575 -6.887 -5.648 1.00 16.43 C ATOM 1051 O LYS A 107 12.960 -5.904 -6.065 1.00 16.44 O ATOM 1052 CB LYS A 107 15.660 -7.644 -6.800 1.00 22.26 C ATOM 1053 CG LYS A 107 15.966 -6.352 -7.493 1.00 26.87 C ATOM 1054 CD LYS A 107 17.442 -6.307 -7.887 1.00 35.33 C ATOM 1055 CE LYS A 107 17.639 -6.594 -9.369 1.00 38.00 C ATOM 1056 NZ LYS A 107 19.058 -6.375 -9.789 1.00 38.44 N ATOM 1057 HZ1 LYS A 107 19.323 -5.386 -9.608 1.00 0.00 H ATOM 1058 HZ2 LYS A 107 19.680 -7.007 -9.246 1.00 0.00 H ATOM 1059 HZ3 LYS A 107 19.153 -6.580 -10.804 1.00 0.00 H ATOM 1060 H LYS A 107 13.040 -7.053 -8.240 1.00 0.00 H ATOM 1061 N ARG A 108 13.764 -7.127 -4.364 1.00 15.33 N ATOM 1062 CA ARG A 108 13.320 -6.183 -3.355 1.00 16.56 C ATOM 1063 C ARG A 108 14.424 -5.173 -3.082 1.00 20.34 C ATOM 1064 O ARG A 108 15.581 -5.546 -2.852 1.00 22.75 O ATOM 1065 CB ARG A 108 12.925 -6.921 -2.080 1.00 20.03 C ATOM 1066 CG ARG A 108 11.584 -7.618 -2.177 1.00 19.75 C ATOM 1067 CD ARG A 108 10.417 -6.637 -1.997 1.00 21.14 C ATOM 1068 NE ARG A 108 10.688 -5.604 -0.986 1.00 24.67 N ATOM 1069 CZ ARG A 108 10.411 -5.726 0.311 1.00 27.77 C ATOM 1070 NH1 ARG A 108 9.857 -6.835 0.781 1.00 27.27 N ATOM 1071 NH2 ARG A 108 10.699 -4.740 1.145 1.00 28.08 N ATOM 1072 HE ARG A 108 11.126 -4.717 -1.306 1.00 0.00 H ATOM 1073 HH12 ARG A 108 9.645 -6.921 1.795 1.00 0.00 H ATOM 1074 HH11 ARG A 108 9.635 -7.619 0.135 1.00 0.00 H ATOM 1075 HH22 ARG A 108 10.483 -4.836 2.158 1.00 0.00 H ATOM 1076 HH21 ARG A 108 11.142 -3.869 0.788 1.00 0.00 H ATOM 1077 H ARG A 108 14.238 -8.005 -4.071 1.00 0.00 H ATOM 1078 N GLU A 109 14.067 -3.894 -3.121 1.00 16.45 N ATOM 1079 CA GLU A 109 14.991 -2.808 -2.821 1.00 20.22 C ATOM 1080 C GLU A 109 14.241 -1.806 -1.965 1.00 16.66 C ATOM 1081 O GLU A 109 13.240 -1.248 -2.415 1.00 16.94 O ATOM 1082 CB GLU A 109 15.508 -2.133 -4.096 1.00 22.99 C ATOM 1083 CG GLU A 109 16.016 -3.097 -5.170 1.00 30.82 C ATOM 1084 CD GLU A 109 17.502 -2.936 -5.439 1.00 42.00 C ATOM 1085 OE1 GLU A 109 18.113 -3.870 -6.006 1.00 47.45 O ATOM 1086 OE2 GLU A 109 18.059 -1.875 -5.078 1.00 45.29 O ATOM 1087 H GLU A 109 13.087 -3.658 -3.376 1.00 0.00 H ATOM 1088 N ASP A 110 14.728 -1.565 -0.748 1.00 18.55 N ATOM 1089 CA ASP A 110 13.999 -0.760 0.239 1.00 15.90 C ATOM 1090 C ASP A 110 12.582 -1.333 0.328 1.00 14.12 C ATOM 1091 O ASP A 110 12.426 -2.555 0.435 1.00 16.95 O ATOM 1092 CB ASP A 110 14.094 0.719 -0.120 1.00 20.41 C ATOM 1093 CG ASP A 110 15.515 1.232 -0.086 1.00 28.81 C ATOM 1094 OD1 ASP A 110 16.333 0.648 0.658 1.00 27.15 O ATOM 1095 OD2 ASP A 110 15.817 2.205 -0.816 1.00 32.84 O ATOM 1096 H ASP A 110 15.655 -1.960 -0.489 1.00 0.00 H ATOM 1097 N ASP A 111 11.541 -0.512 0.273 1.00 16.77 N ATOM 1098 CA ASP A 111 10.170 -0.999 0.307 1.00 18.54 C ATOM 1099 C ASP A 111 9.607 -1.249 -1.083 1.00 17.55 C ATOM 1100 O ASP A 111 8.396 -1.448 -1.226 1.00 20.45 O ATOM 1101 CB ASP A 111 9.274 -0.004 1.046 1.00 19.89 C ATOM 1102 CG ASP A 111 9.583 0.066 2.526 1.00 18.81 C ATOM 1103 OD1 ASP A 111 9.779 -0.993 3.156 1.00 19.35 O ATOM 1104 OD2 ASP A 111 9.625 1.196 3.056 1.00 20.86 O ATOM 1105 H ASP A 111 11.710 0.512 0.203 1.00 0.00 H ATOM 1106 N LYS A 112 10.451 -1.247 -2.101 1.00 14.99 N ATOM 1107 CA LYS A 112 10.000 -1.372 -3.478 1.00 13.03 C ATOM 1108 C LYS A 112 10.252 -2.776 -4.016 1.00 15.09 C ATOM 1109 O LYS A 112 11.053 -3.549 -3.486 1.00 13.53 O ATOM 1110 CB LYS A 112 10.708 -0.348 -4.370 1.00 14.55 C ATOM 1111 CG LYS A 112 10.537 1.099 -3.893 1.00 23.70 C ATOM 1112 CD LYS A 112 11.444 2.064 -4.643 1.00 30.75 C ATOM 1113 CE LYS A 112 11.298 3.472 -4.088 1.00 36.97 C ATOM 1114 NZ LYS A 112 9.866 3.775 -3.778 1.00 38.72 N ATOM 1115 HZ1 LYS A 112 9.300 3.696 -4.647 1.00 0.00 H ATOM 1116 HZ2 LYS A 112 9.515 3.097 -3.072 1.00 0.00 H ATOM 1117 HZ3 LYS A 112 9.791 4.741 -3.401 1.00 0.00 H ATOM 1118 H LYS A 112 11.469 -1.153 -1.911 1.00 0.00 H ATOM 1119 N LEU A 113 9.536 -3.099 -5.083 1.00 13.77 N ATOM 1120 CA LEU A 113 9.836 -4.256 -5.912 1.00 13.82 C ATOM 1121 C LEU A 113 10.309 -3.720 -7.256 1.00 13.92 C ATOM 1122 O LEU A 113 9.563 -3.012 -7.945 1.00 15.03 O ATOM 1123 CB LEU A 113 8.613 -5.164 -6.059 1.00 14.96 C ATOM 1124 CG LEU A 113 8.828 -6.549 -6.697 1.00 15.80 C ATOM 1125 CD1 LEU A 113 7.693 -7.476 -6.312 1.00 21.75 C ATOM 1126 CD2 LEU A 113 8.924 -6.440 -8.200 1.00 24.47 C ATOM 1127 H LEU A 113 8.725 -2.500 -5.339 1.00 0.00 H ATOM 1128 N VAL A 114 11.556 -4.017 -7.601 1.00 12.09 N ATOM 1129 CA VAL A 114 12.188 -3.484 -8.801 1.00 12.15 C ATOM 1130 C VAL A 114 12.230 -4.589 -9.846 1.00 13.86 C ATOM 1131 O VAL A 114 12.660 -5.712 -9.556 1.00 14.62 O ATOM 1132 CB VAL A 114 13.597 -2.948 -8.491 1.00 17.22 C ATOM 1133 CG1 VAL A 114 14.278 -2.421 -9.757 1.00 17.79 C ATOM 1134 CG2 VAL A 114 13.510 -1.850 -7.431 1.00 17.77 C ATOM 1135 H VAL A 114 12.104 -4.656 -6.990 1.00 0.00 H ATOM 1136 N VAL A 115 11.763 -4.285 -11.050 1.00 13.54 N ATOM 1137 CA VAL A 115 11.795 -5.228 -12.164 1.00 12.25 C ATOM 1138 C VAL A 115 12.744 -4.658 -13.211 1.00 14.80 C ATOM 1139 O VAL A 115 12.555 -3.531 -13.682 1.00 16.24 O ATOM 1140 CB VAL A 115 10.398 -5.473 -12.759 1.00 12.34 C ATOM 1141 CG1 VAL A 115 10.482 -6.548 -13.824 1.00 14.50 C ATOM 1142 CG2 VAL A 115 9.389 -5.850 -11.684 1.00 15.89 C ATOM 1143 H VAL A 115 11.359 -3.339 -11.206 1.00 0.00 H ATOM 1144 N GLU A 116 13.775 -5.418 -13.558 1.00 12.57 N ATOM 1145 CA GLU A 116 14.752 -5.023 -14.560 1.00 14.52 C ATOM 1146 C GLU A 116 14.729 -6.073 -15.654 1.00 15.39 C ATOM 1147 O GLU A 116 14.914 -7.259 -15.375 1.00 16.54 O ATOM 1148 CB GLU A 116 16.158 -4.918 -13.968 1.00 17.83 C ATOM 1149 CG GLU A 116 16.380 -3.776 -13.012 1.00 24.44 C ATOM 1150 CD GLU A 116 17.762 -3.827 -12.388 1.00 34.96 C ATOM 1151 OE1 GLU A 116 18.282 -2.757 -12.001 1.00 43.17 O ATOM 1152 OE2 GLU A 116 18.326 -4.941 -12.285 1.00 42.63 O ATOM 1153 H GLU A 116 13.890 -6.340 -13.091 1.00 0.00 H ATOM 1154 N CYS A 117 14.512 -5.657 -16.888 1.00 12.50 N ATOM 1155 CA CYS A 117 14.491 -6.630 -17.968 1.00 13.95 C ATOM 1156 C CYS A 117 15.469 -6.206 -19.046 1.00 15.65 C ATOM 1157 O CYS A 117 15.766 -5.018 -19.205 1.00 16.96 O ATOM 1158 CB CYS A 117 13.088 -6.800 -18.547 1.00 15.06 C ATOM 1159 SG CYS A 117 12.369 -5.248 -19.081 1.00 17.12 S ATOM 1160 H CYS A 117 14.358 -4.647 -17.085 1.00 0.00 H ATOM 1161 N VAL A 118 15.985 -7.187 -19.776 1.00 15.33 N ATOM 1162 CA VAL A 118 16.982 -6.912 -20.797 1.00 16.40 C ATOM 1163 C VAL A 118 16.679 -7.760 -22.021 1.00 14.86 C ATOM 1164 O VAL A 118 16.324 -8.941 -21.912 1.00 15.03 O ATOM 1165 CB VAL A 118 18.418 -7.150 -20.279 1.00 22.67 C ATOM 1166 CG1 VAL A 118 18.603 -8.579 -19.798 1.00 25.89 C ATOM 1167 CG2 VAL A 118 19.452 -6.765 -21.358 1.00 24.49 C ATOM 1168 H VAL A 118 15.672 -8.166 -19.615 1.00 0.00 H ATOM 1169 N MET A 119 16.793 -7.138 -23.186 1.00 18.19 N ATOM 1170 CA MET A 119 16.649 -7.816 -24.470 1.00 19.34 C ATOM 1171 C MET A 119 17.724 -7.246 -25.382 1.00 23.91 C ATOM 1172 O MET A 119 17.693 -6.051 -25.692 1.00 22.79 O ATOM 1173 CB MET A 119 15.254 -7.592 -25.054 1.00 20.48 C ATOM 1174 CG MET A 119 15.084 -8.109 -26.465 1.00 25.06 C ATOM 1175 SD MET A 119 14.851 -9.884 -26.393 1.00 21.45 S ATOM 1176 CE MET A 119 14.748 -10.320 -28.133 1.00 23.67 C ATOM 1177 H MET A 119 16.995 -6.118 -23.185 1.00 0.00 H ATOM 1178 N LYS A 120 18.688 -8.085 -25.775 1.00 24.62 N ATOM 1179 CA LYS A 120 19.714 -7.724 -26.763 1.00 27.28 C ATOM 1180 C LYS A 120 20.328 -6.349 -26.482 1.00 27.40 C ATOM 1181 O LYS A 120 20.443 -5.492 -27.364 1.00 28.21 O ATOM 1182 CB LYS A 120 19.138 -7.798 -28.177 1.00 31.06 C ATOM 1183 CG LYS A 120 18.574 -9.183 -28.505 1.00 31.84 C ATOM 1184 CD LYS A 120 18.473 -9.416 -29.996 1.00 40.64 C ATOM 1185 CE LYS A 120 17.414 -8.530 -30.615 1.00 39.38 C ATOM 1186 NZ LYS A 120 17.640 -8.378 -32.076 1.00 43.90 N ATOM 1187 HZ1 LYS A 120 18.573 -7.949 -32.238 1.00 0.00 H ATOM 1188 HZ2 LYS A 120 17.603 -9.313 -32.530 1.00 0.00 H ATOM 1189 HZ3 LYS A 120 16.901 -7.766 -32.478 1.00 0.00 H ATOM 1190 H LYS A 120 18.713 -9.039 -25.362 1.00 0.00 H ATOM 1191 N GLY A 121 20.731 -6.144 -25.230 1.00 26.13 N ATOM 1192 CA GLY A 121 21.416 -4.934 -24.832 1.00 22.78 C ATOM 1193 C GLY A 121 20.522 -3.790 -24.402 1.00 21.06 C ATOM 1194 O GLY A 121 21.033 -2.788 -23.886 1.00 19.72 O ATOM 1195 H GLY A 121 20.547 -6.877 -24.515 1.00 0.00 H ATOM 1196 N VAL A 122 19.213 -3.902 -24.594 1.00 19.83 N ATOM 1197 CA VAL A 122 18.267 -2.856 -24.217 1.00 19.50 C ATOM 1198 C VAL A 122 17.637 -3.245 -22.886 1.00 20.96 C ATOM 1199 O VAL A 122 17.021 -4.311 -22.779 1.00 17.53 O ATOM 1200 CB VAL A 122 17.192 -2.664 -25.296 1.00 20.45 C ATOM 1201 CG1 VAL A 122 16.127 -1.692 -24.811 1.00 19.44 C ATOM 1202 CG2 VAL A 122 17.827 -2.194 -26.609 1.00 22.93 C ATOM 1203 H VAL A 122 18.846 -4.771 -25.031 1.00 0.00 H ATOM 1204 N THR A 123 17.771 -2.382 -21.880 1.00 17.65 N ATOM 1205 CA THR A 123 17.254 -2.629 -20.542 1.00 20.20 C ATOM 1206 C THR A 123 16.089 -1.691 -20.254 1.00 18.43 C ATOM 1207 O THR A 123 16.035 -0.566 -20.759 1.00 20.50 O ATOM 1208 CB THR A 123 18.359 -2.442 -19.479 1.00 22.44 C ATOM 1209 OG1 THR A 123 19.426 -3.367 -19.733 1.00 26.52 O ATOM 1210 CG2 THR A 123 17.842 -2.673 -18.054 1.00 26.39 C ATOM 1211 HG1 THR A 123 19.801 -3.198 -20.634 1.00 0.00 H ATOM 1212 H THR A 123 18.270 -1.487 -22.060 1.00 0.00 H ATOM 1213 N SER A 124 15.149 -2.172 -19.448 1.00 15.49 N ATOM 1214 CA SER A 124 14.084 -1.349 -18.900 1.00 14.76 C ATOM 1215 C SER A 124 14.000 -1.607 -17.405 1.00 15.46 C ATOM 1216 O SER A 124 14.248 -2.725 -16.942 1.00 14.23 O ATOM 1217 CB SER A 124 12.745 -1.652 -19.584 1.00 14.71 C ATOM 1218 OG SER A 124 11.679 -0.968 -18.955 1.00 15.30 O ATOM 1219 HG SER A 124 11.842 0.007 -19.000 1.00 0.00 H ATOM 1220 H SER A 124 15.176 -3.181 -19.198 1.00 0.00 H ATOM 1221 N THR A 125 13.691 -0.562 -16.645 1.00 13.44 N ATOM 1222 CA THR A 125 13.506 -0.667 -15.202 1.00 13.65 C ATOM 1223 C THR A 125 12.103 -0.201 -14.848 1.00 14.51 C ATOM 1224 O THR A 125 11.704 0.912 -15.206 1.00 14.90 O ATOM 1225 CB THR A 125 14.544 0.160 -14.435 1.00 16.56 C ATOM 1226 OG1 THR A 125 15.855 -0.261 -14.821 1.00 19.39 O ATOM 1227 CG2 THR A 125 14.391 -0.048 -12.927 1.00 18.35 C ATOM 1228 HG1 THR A 125 15.971 -0.123 -15.794 1.00 0.00 H ATOM 1229 H THR A 125 13.576 0.368 -17.097 1.00 0.00 H ATOM 1230 N ARG A 126 11.364 -1.048 -14.139 1.00 13.07 N ATOM 1231 CA ARG A 126 10.015 -0.727 -13.704 1.00 11.92 C ATOM 1232 C ARG A 126 9.939 -0.934 -12.200 1.00 12.81 C ATOM 1233 O ARG A 126 10.368 -1.974 -11.691 1.00 15.39 O ATOM 1234 CB ARG A 126 8.987 -1.577 -14.452 1.00 12.94 C ATOM 1235 CG ARG A 126 8.723 -1.007 -15.855 1.00 12.83 C ATOM 1236 CD ARG A 126 8.288 -2.042 -16.864 1.00 14.64 C ATOM 1237 NE ARG A 126 6.938 -2.565 -16.645 1.00 15.87 N ATOM 1238 CZ ARG A 126 5.818 -1.960 -17.043 1.00 17.36 C ATOM 1239 NH1 ARG A 126 5.867 -0.772 -17.629 1.00 15.14 N ATOM 1240 NH2 ARG A 126 4.640 -2.544 -16.842 1.00 17.56 N ATOM 1241 HE ARG A 126 6.846 -3.472 -16.144 1.00 0.00 H ATOM 1242 HH12 ARG A 126 4.989 -0.307 -17.936 1.00 0.00 H ATOM 1243 HH11 ARG A 126 6.784 -0.305 -17.781 1.00 0.00 H ATOM 1244 HH22 ARG A 126 3.766 -2.073 -17.152 1.00 0.00 H ATOM 1245 HH21 ARG A 126 4.593 -3.472 -16.375 1.00 0.00 H ATOM 1246 H ARG A 126 11.765 -1.974 -13.886 1.00 0.00 H ATOM 1247 N VAL A 127 9.422 0.060 -11.487 1.00 11.03 N ATOM 1248 CA VAL A 127 9.422 0.042 -10.028 1.00 12.51 C ATOM 1249 C VAL A 127 7.993 -0.065 -9.529 1.00 12.95 C ATOM 1250 O VAL A 127 7.107 0.668 -9.994 1.00 12.55 O ATOM 1251 CB VAL A 127 10.113 1.288 -9.453 1.00 12.90 C ATOM 1252 CG1 VAL A 127 10.069 1.257 -7.918 1.00 15.87 C ATOM 1253 CG2 VAL A 127 11.547 1.360 -9.959 1.00 15.39 C ATOM 1254 H VAL A 127 9.005 0.874 -11.982 1.00 0.00 H ATOM 1255 N TYR A 128 7.775 -0.976 -8.580 1.00 12.16 N ATOM 1256 CA TYR A 128 6.482 -1.191 -7.953 1.00 11.63 C ATOM 1257 C TYR A 128 6.579 -0.853 -6.475 1.00 13.48 C ATOM 1258 O TYR A 128 7.612 -1.081 -5.839 1.00 13.86 O ATOM 1259 CB TYR A 128 6.015 -2.642 -8.099 1.00 12.34 C ATOM 1260 CG TYR A 128 5.582 -3.020 -9.489 1.00 11.15 C ATOM 1261 CD1 TYR A 128 6.518 -3.272 -10.486 1.00 13.00 C ATOM 1262 CD2 TYR A 128 4.230 -3.166 -9.798 1.00 13.08 C ATOM 1263 CE1 TYR A 128 6.116 -3.631 -11.778 1.00 13.06 C ATOM 1264 CE2 TYR A 128 3.815 -3.549 -11.070 1.00 12.56 C ATOM 1265 CZ TYR A 128 4.757 -3.764 -12.056 1.00 14.48 C ATOM 1266 OH TYR A 128 4.336 -4.133 -13.312 1.00 16.31 O ATOM 1267 HH TYR A 128 5.123 -4.249 -13.902 1.00 0.00 H ATOM 1268 H TYR A 128 8.575 -1.565 -8.272 1.00 0.00 H ATOM 1269 N GLU A 129 5.495 -0.309 -5.933 1.00 15.19 N ATOM 1270 CA GLU A 129 5.388 -0.039 -4.507 1.00 14.26 C ATOM 1271 C GLU A 129 4.208 -0.804 -3.923 1.00 16.18 C ATOM 1272 O GLU A 129 3.310 -1.235 -4.643 1.00 15.60 O ATOM 1273 CB GLU A 129 5.228 1.468 -4.247 1.00 18.26 C ATOM 1274 CG GLU A 129 6.530 2.213 -4.425 1.00 26.14 C ATOM 1275 CD GLU A 129 6.381 3.718 -4.294 1.00 34.53 C ATOM 1276 OE1 GLU A 129 7.419 4.409 -4.350 1.00 36.29 O ATOM 1277 OE2 GLU A 129 5.238 4.207 -4.132 1.00 37.92 O ATOM 1278 H GLU A 129 4.694 -0.067 -6.550 1.00 0.00 H ATOM 1279 N ARG A 130 4.205 -0.963 -2.597 1.00 15.24 N ATOM 1280 CA ARG A 130 3.093 -1.649 -1.952 1.00 16.39 C ATOM 1281 C ARG A 130 1.792 -0.918 -2.246 1.00 19.25 C ATOM 1282 O ARG A 130 1.731 0.316 -2.205 1.00 21.82 O ATOM 1283 CB ARG A 130 3.314 -1.721 -0.444 1.00 18.25 C ATOM 1284 CG ARG A 130 4.541 -2.502 -0.048 1.00 21.57 C ATOM 1285 CD ARG A 130 4.180 -3.917 0.297 1.00 25.93 C ATOM 1286 NE ARG A 130 5.350 -4.685 0.718 1.00 23.26 N ATOM 1287 CZ ARG A 130 5.388 -6.010 0.748 1.00 18.89 C ATOM 1288 NH1 ARG A 130 4.318 -6.708 0.393 1.00 20.29 N ATOM 1289 NH2 ARG A 130 6.497 -6.638 1.123 1.00 20.97 N ATOM 1290 HE ARG A 130 6.201 -4.163 1.010 1.00 0.00 H ATOM 1291 HH12 ARG A 130 4.344 -7.747 0.415 1.00 0.00 H ATOM 1292 HH11 ARG A 130 3.452 -6.216 0.092 1.00 0.00 H ATOM 1293 HH22 ARG A 130 6.524 -7.677 1.146 1.00 0.00 H ATOM 1294 HH21 ARG A 130 7.338 -6.090 1.394 1.00 0.00 H ATOM 1295 H ARG A 130 4.994 -0.598 -2.026 1.00 0.00 H ATOM 1296 N ALA A 131 0.747 -1.679 -2.547 1.00 18.89 N ATOM 1297 CA ALA A 131 -0.519 -1.076 -2.947 1.00 26.47 C ATOM 1298 C ALA A 131 -1.333 -0.688 -1.722 1.00 29.45 C ATOM 1299 O ALA A 131 -1.074 -1.184 -0.623 1.00 36.77 O ATOM 1300 CB ALA A 131 -1.308 -2.026 -3.835 1.00 22.76 C ATOM 1301 H ALA A 131 0.832 -2.714 -2.497 1.00 0.00 H TER 1302 ALA A 131 HETATM 1303 O HOH 1 9.425 -3.493 2.797 1.00 30.24 O HETATM 1304 O HOH 2 1.015 -19.823 1.595 1.00 32.38 O HETATM 1305 O HOH 3 -1.807 -20.294 -11.779 1.00 29.22 O HETATM 1306 O HOH 4 4.241 -27.687 -22.985 1.00 27.54 O HETATM 1307 O HOH 5 21.209 -12.364 -10.525 1.00 40.22 O HETATM 1308 O HOH 6 10.197 -7.399 3.258 1.00 36.84 O HETATM 1309 O HOH 7 -9.135 -1.576 -20.333 1.00 21.39 O HETATM 1310 O HOH 8 -1.255 -6.016 -17.813 1.00 24.14 O HETATM 1311 O HOH 9 1.115 -6.677 -16.732 1.00 23.49 O HETATM 1312 O HOH 10 6.345 0.161 -1.182 1.00 23.82 O HETATM 1313 O HOH 11 2.532 -13.775 -17.912 1.00 23.71 O HETATM 1314 O HOH 12 9.760 -23.234 -5.776 1.00 18.61 O HETATM 1315 O HOH 13 6.010 -12.676 -16.712 1.00 20.19 O HETATM 1316 O HOH 14 -3.590 1.744 -19.348 1.00 18.35 O HETATM 1317 O HOH 15 15.457 -9.338 -3.439 1.00 25.49 O HETATM 1318 O HOH 16 -0.053 2.491 -10.150 1.00 30.90 O HETATM 1319 O HOH 17 6.851 -27.376 -12.451 1.00 23.39 O HETATM 1320 O HOH 18 -1.516 0.193 -10.504 1.00 26.76 O HETATM 1321 O HOH 19 5.913 -9.153 -13.390 1.00 27.58 O HETATM 1322 O HOH 20 3.016 -0.813 -18.540 1.00 19.65 O HETATM 1323 O HOH 21 23.508 -2.876 -22.823 1.00 30.61 O HETATM 1324 O HOH 22 -0.902 -18.785 -4.060 1.00 28.42 O HETATM 1325 O HOH 23 -3.598 1.012 -22.001 1.00 16.25 O HETATM 1326 O HOH 24 1.628 -9.538 -17.211 1.00 22.70 O HETATM 1327 O HOH 25 13.829 3.843 -1.743 1.00 40.16 O HETATM 1328 O HOH 26 19.763 -10.076 -2.163 1.00 28.52 O HETATM 1329 O HOH 27 15.332 5.776 -19.215 1.00 31.82 O HETATM 1330 O HOH 28 17.884 -13.556 -22.026 1.00 25.50 O HETATM 1331 O HOH 29 2.810 -6.494 -13.543 1.00 27.42 O HETATM 1332 O HOH 30 1.163 -20.081 -5.245 1.00 19.03 O HETATM 1333 O HOH 31 9.304 3.742 2.034 1.00 38.32 O HETATM 1334 O HOH 32 10.392 -21.913 -13.151 1.00 12.76 O HETATM 1335 O HOH 33 6.974 3.537 -30.176 1.00 33.13 O HETATM 1336 O HOH 34 13.488 -26.608 -15.862 1.00 19.46 O HETATM 1337 O HOH 35 12.662 -28.395 -8.113 1.00 36.84 O HETATM 1338 O HOH 36 21.089 -1.760 -21.306 1.00 32.39 O HETATM 1339 O HOH 37 4.581 -9.353 -29.010 1.00 25.64 O HETATM 1340 O HOH 38 10.240 -28.612 -20.069 1.00 32.18 O HETATM 1341 O HOH 39 14.590 -24.874 -17.872 1.00 24.81 O HETATM 1342 O HOH 40 18.397 -11.020 -25.614 1.00 29.05 O HETATM 1343 O HOH 41 5.972 -27.263 -15.826 1.00 25.46 O HETATM 1344 O HOH 42 4.573 -24.082 -13.663 1.00 16.29 O HETATM 1345 O HOH 43 19.691 -4.150 -29.695 1.00 35.39 O HETATM 1346 O HOH 44 6.368 -18.887 -29.751 1.00 31.90 O HETATM 1347 O HOH 45 6.270 -9.361 1.836 1.00 21.64 O HETATM 1348 O HOH 46 11.950 -12.391 -12.280 1.00 14.96 O HETATM 1349 O HOH 47 1.734 -12.692 -14.478 1.00 21.19 O HETATM 1350 O HOH 48 11.752 2.983 -13.306 1.00 20.62 O HETATM 1351 O HOH 49 2.334 4.163 -24.548 1.00 28.50 O HETATM 1352 O HOH 50 -0.781 -14.319 -6.451 1.00 20.12 O HETATM 1353 O HOH 51 12.255 3.674 -24.557 1.00 22.51 O HETATM 1354 O HOH 52 5.136 -22.278 -24.489 1.00 25.75 O HETATM 1355 O HOH 53 17.883 -0.828 2.533 1.00 23.24 O HETATM 1356 O HOH 54 8.520 -11.414 -30.636 1.00 28.23 O HETATM 1357 O HOH 55 -2.339 -15.475 -17.718 1.00 27.41 O HETATM 1358 O HOH 56 9.227 -9.867 -21.335 1.00 14.78 O HETATM 1359 O HOH 57 3.963 -3.108 -35.556 1.00 28.26 O HETATM 1360 O HOH 58 16.153 -18.707 -14.395 1.00 22.10 O HETATM 1361 O HOH 59 8.929 3.182 -19.865 1.00 19.36 O HETATM 1362 O HOH 60 0.241 -2.485 -34.506 1.00 24.41 O HETATM 1363 O HOH 61 0.124 -3.649 0.217 1.00 30.72 O HETATM 1364 O HOH 62 21.269 -18.025 -4.233 1.00 29.09 O HETATM 1365 O HOH 63 4.075 -27.136 -2.838 1.00 26.92 O HETATM 1366 O HOH 64 14.808 -1.015 -29.279 1.00 27.10 O HETATM 1367 O HOH 65 2.948 -11.240 -19.020 1.00 17.92 O HETATM 1368 O HOH 66 -8.049 -5.498 -14.622 1.00 30.88 O HETATM 1369 O HOH 67 1.511 -5.856 -0.053 1.00 21.58 O HETATM 1370 O HOH 68 4.864 2.437 -25.394 1.00 30.04 O HETATM 1371 O HOH 69 1.607 -16.040 0.085 1.00 19.11 O HETATM 1372 O HOH 70 7.121 -24.562 -12.793 1.00 14.30 O HETATM 1373 O HOH 71 8.814 -20.512 -30.048 1.00 30.47 O HETATM 1374 O HOH 72 12.817 -9.385 -31.810 1.00 35.73 O HETATM 1375 O HOH 73 11.198 5.955 -20.659 1.00 26.68 O HETATM 1376 O HOH 74 0.704 -18.189 -19.031 1.00 25.00 O HETATM 1377 O HOH 75 7.841 6.573 -15.048 1.00 30.71 O HETATM 1378 O HOH 76 11.347 2.346 -0.484 1.00 25.00 O HETATM 1379 O HOH 77 14.958 5.970 -22.094 1.00 24.20 O HETATM 1380 O HOH 78 16.305 -21.388 -7.614 1.00 26.18 O HETATM 1381 O HOH 79 0.550 -4.643 -32.067 1.00 26.75 O HETATM 1382 O HOH 80 9.088 -30.386 -7.508 1.00 36.83 O HETATM 1383 O HOH 81 -1.710 -8.756 -26.389 1.00 30.12 O HETATM 1384 O HOH 82 5.591 1.944 -19.632 1.00 33.10 O HETATM 1385 O HOH 83 -7.042 -10.088 -19.853 1.00 33.06 O HETATM 1386 O HOH 84 4.572 -16.275 -29.808 1.00 26.27 O HETATM 1387 O HOH 85 9.675 4.032 -22.723 1.00 30.32 O HETATM 1388 O HOH 86 0.345 -15.642 -18.183 1.00 28.05 O HETATM 1389 O HOH 87 -8.304 -6.116 -18.279 1.00 35.11 O HETATM 1390 O HOH 88 23.544 -12.031 -14.213 1.00 36.69 O HETATM 1391 O HOH 89 8.050 -21.004 -27.237 1.00 32.61 O HETATM 1392 O HOH 90 6.363 7.800 -13.008 1.00 38.52 O HETATM 1393 O HOH 91 -2.687 -7.970 0.388 1.00 18.17 O HETATM 1394 O HOH 92 2.586 -22.110 2.298 1.00 31.51 O HETATM 1395 O HOH 93 18.736 -16.915 -2.925 1.00 28.62 O HETATM 1396 O HOH 94 -2.293 -19.339 -16.576 1.00 36.24 O HETATM 1397 O HOH 95 17.548 -12.778 -28.097 1.00 28.33 O HETATM 1398 O HOH 96 -6.783 -2.366 -23.403 1.00 30.90 O HETATM 1399 O HOH 97 -2.457 -19.452 -1.886 1.00 24.34 O HETATM 1400 O HOH 98 21.076 -10.110 -10.296 1.00 40.56 O HETATM 1401 O HOH 99 10.612 5.263 -8.472 1.00 42.86 O HETATM 1402 O HOH 100 17.783 -8.601 -16.363 1.00 32.61 O HETATM 1403 O HOH 101 4.829 -28.189 -25.557 1.00 35.86 O HETATM 1404 O HOH 102 9.145 -21.238 -1.478 1.00 39.04 O HETATM 1405 O HOH 103 -0.733 -17.794 0.180 1.00 32.67 O HETATM 1406 O HOH 104 16.602 1.522 -17.669 1.00 33.96 O HETATM 1407 O HOH 105 5.143 -28.983 -4.614 1.00 35.98 O HETATM 1408 O HOH 106 16.697 5.531 -17.400 1.00 31.95 O HETATM 1409 O HOH 107 7.865 2.914 -1.006 1.00 36.47 O HETATM 1410 O HOH 108 4.103 -11.758 -14.829 1.00 31.59 O HETATM 1411 O HOH 109 18.977 -11.287 -22.593 1.00 37.61 O HETATM 1412 O HOH 110 16.340 3.669 -15.089 1.00 32.79 O HETATM 1413 O HOH 111 11.534 -25.271 -5.032 1.00 32.65 O HETATM 1414 O HOH 112 17.901 -23.031 -24.619 1.00 32.08 O HETATM 1415 O HOH 113 10.310 -21.779 -3.276 1.00 36.17 O HETATM 1416 O HOH 114 5.483 -14.089 -30.959 1.00 37.10 O HETATM 1417 O HOH 115 24.275 -13.950 -13.569 1.00 41.95 O HETATM 1418 C4 UNN A 116 3.442 -6.117 -20.410 1.00 0.10 C HETATM 1419 C5 UNN A 116 4.412 -6.480 -21.393 1.00 0.02 C HETATM 1420 C6 UNN A 116 5.258 -7.597 -21.133 1.00 0.00 C HETATM 1421 C10 UNN A 116 6.223 -7.969 -22.104 1.00 -0.06 C HETATM 1422 C9 UNN A 116 6.341 -7.267 -23.267 1.00 -0.06 C HETATM 1423 C8 UNN A 116 5.501 -6.170 -23.522 1.00 -0.06 C HETATM 1424 C7 UNN A 116 4.558 -5.777 -22.613 1.00 -0.05 C HETATM 1425 H4 UNN A 116 3.921 -4.926 -22.827 1.00 0.06 H HETATM 1426 H5 UNN A 116 5.602 -5.626 -24.454 1.00 0.06 H HETATM 1427 H6 UNN A 116 7.087 -7.557 -23.998 1.00 0.06 H HETATM 1428 H7 UNN A 116 6.872 -8.818 -21.920 1.00 0.06 H HETATM 1429 C1 UNN A 116 5.090 -8.301 -19.898 1.00 0.11 C HETATM 1430 C2 UNN A 116 4.160 -7.907 -18.972 1.00 -0.05 C HETATM 1431 C3 UNN A 116 3.333 -6.807 -19.231 1.00 -0.03 C HETATM 1432 H10 UNN A 116 2.601 -6.499 -18.493 1.00 0.05 H HETATM 1433 H13 UNN A 116 4.064 -8.448 -18.037 1.00 0.06 H HETATM 1434 S1 UNN A 116 6.103 -9.682 -19.441 1.00 0.08 S HETATM 1435 N1 UNN A 116 7.582 -9.073 -19.118 1.00 -0.19 N HETATM 1436 C12 UNN A 116 7.853 -8.002 -18.220 1.00 0.06 C HETATM 1437 C13 UNN A 116 6.907 -7.612 -17.268 1.00 -0.03 C HETATM 1438 C14 UNN A 116 7.167 -6.537 -16.419 1.00 0.03 C HETATM 1439 C15 UNN A 116 8.383 -5.896 -16.550 1.00 0.13 C HETATM 1440 C16 UNN A 116 9.327 -6.257 -17.483 1.00 -0.04 C HETATM 1441 C17 UNN A 116 9.051 -7.318 -18.331 1.00 -0.04 C HETATM 1442 H12 UNN A 116 9.775 -7.613 -19.082 1.00 0.05 H HETATM 1443 H11 UNN A 116 10.268 -5.723 -17.554 1.00 0.06 H HETATM 1444 F1 UNN A 116 8.676 -4.856 -15.733 1.00 -0.19 F HETATM 1445 C18 UNN A 116 6.138 -6.104 -15.401 1.00 0.06 C HETATM 1446 O4 UNN A 116 6.054 -4.886 -15.142 1.00 -0.56 O HETATM 1447 O5 UNN A 116 5.416 -6.975 -14.883 1.00 -0.56 O HETATM 1448 H8 UNN A 116 5.968 -8.147 -17.189 1.00 0.05 H HETATM 1449 H9 UNN A 116 8.361 -9.486 -19.589 1.00 0.21 H HETATM 1450 O2 UNN A 116 6.255 -10.576 -20.551 1.00 -0.15 O HETATM 1451 O3 UNN A 116 5.587 -10.226 -18.222 1.00 -0.15 O HETATM 1452 O1 UNN A 116 2.683 -5.024 -20.724 1.00 -0.32 O HETATM 1453 C11 UNN A 116 1.880 -4.469 -19.680 1.00 0.06 C HETATM 1454 H1 UNN A 116 1.325 -3.601 -20.066 1.00 0.06 H HETATM 1455 H2 UNN A 116 2.527 -4.150 -18.850 1.00 0.06 H HETATM 1456 H3 UNN A 116 1.170 -5.228 -19.321 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1418 1419 1431 1452 CONECT 1419 1418 1420 1424 CONECT 1420 1419 1421 1429 CONECT 1421 1420 1422 1428 CONECT 1422 1421 1423 1427 CONECT 1423 1422 1424 1426 CONECT 1424 1419 1423 1425 CONECT 1425 1424 CONECT 1426 1423 CONECT 1427 1422 CONECT 1428 1421 CONECT 1429 1420 1430 1434 CONECT 1430 1429 1431 1433 CONECT 1431 1418 1430 1432 CONECT 1432 1431 CONECT 1433 1430 CONECT 1434 1429 1435 1450 1451 CONECT 1435 1434 1436 1449 CONECT 1436 1435 1437 1441 CONECT 1437 1436 1438 1448 CONECT 1438 1437 1439 1445 CONECT 1439 1438 1440 1444 CONECT 1440 1439 1441 1443 CONECT 1441 1436 1440 1442 CONECT 1442 1441 CONECT 1443 1440 CONECT 1444 1439 CONECT 1445 1438 1446 1447 CONECT 1446 1445 CONECT 1447 1445 CONECT 1448 1437 CONECT 1449 1435 CONECT 1450 1434 CONECT 1451 1434 CONECT 1452 1418 1453 CONECT 1453 1452 1454 1455 1456 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1453 MASTER 0 0 0 0 0 0 0 0 1455 1 43 11 END
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Structure:
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Related entries of code: 5y0f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
136aa, >2HNX_1|Chain... at 100%
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PDBbind
152aa, >5D45_1|Chain... *
5d47
RCSB PDB
PDBbind
152aa, >5D47_1|Chain... at 100%
5d48
RCSB PDB
PDBbind
152aa, >5D48_1|Chain... at 100%
5d4a
RCSB PDB
PDBbind
152aa, >5D4A_1|Chain... at 100%
5hz8
RCSB PDB
PDBbind
135aa, >5HZ8_1|Chain... at 94%
5y0g
RCSB PDB
PDBbind
152aa, >5Y0G_1|Chain... at 100%
5y0x
RCSB PDB
PDBbind
152aa, >5Y0X_1|Chain... at 100%
5y12
RCSB PDB
PDBbind
152aa, >5Y12_1|Chain... at 100%
5y13
RCSB PDB
PDBbind
152aa, >5Y13_1|Chain... at 100%
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
5y0f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid binding protein 4
Ligand Name
8JO
EC.Number
E.C.-.-.-.-
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
Ki=0.21uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 154: pp. 44-59
Ligand Properties
Formula
C
1
8
H
1
4
FNO
5
S
Molecular Weight
375.371
Exact Mass
375.058
No. of atoms
40
No. of bonds
42
Polar Surface Area
101.08
LOGP Value
4.38 (
Computed with XLOGP3
)
4.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1ccc(c2c1cccc2)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)F
InChI String
InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)18(21)22/h2-10,20H,1H3,(H,21,22)
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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