Browse entries in the PDBbind-CN Database
HEADER 4J8T_COMPLEX COMPND 4J8T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 128 MET ASN ALA LYS GLU ILE VAL VAL HIS ALA LEU ARG LEU SEQRES 2 A 128 LEU GLU ASN GLY ASP ALA ARG GLY TRP CYS ASP LEU PHE SEQRES 3 A 128 HIS PRO GLU GLY VAL LEU GLU TYR PRO TYR PRO PRO PRO SEQRES 4 A 128 GLY TYR LYS THR ARG PHE GLU GLY ARG GLU THR ILE TRP SEQRES 5 A 128 ALA HIS MET ARG LEU PHE PRO GLU TYR MET THR ILE ARG SEQRES 6 A 128 PHE THR ASP VAL GLN PHE TYR GLU THR ALA ASP PRO ASP SEQRES 7 A 128 LEU ALA ILE GLY GLU PHE HIS GLY ASP GLY VAL HIS THR SEQRES 8 A 128 VAL SER GLY GLY LYS LEU ALA ALA ASP TYR ILE SER VAL SEQRES 9 A 128 LEU ARG THR ARG ASP GLY GLN ILE LEU LEU TYR ARG LEU SEQRES 10 A 128 PHE PHE ASN PRO LEU ARG VAL LEU GLU PRO LEU HET DOG A 151 62 ATOM 1 N MET A 1 -11.208 -15.663 -0.733 1.00 39.49 N ATOM 2 CA MET A 1 -11.886 -15.697 0.562 1.00 46.30 C ATOM 3 C MET A 1 -10.882 -15.489 1.706 1.00 38.47 C ATOM 4 O MET A 1 -9.697 -15.768 1.541 1.00 40.43 O ATOM 5 CB MET A 1 -12.586 -17.045 0.753 1.00 41.92 C ATOM 6 CG MET A 1 -13.463 -17.485 -0.412 1.00 38.73 C ATOM 7 SD MET A 1 -14.450 -18.921 0.040 1.00 57.81 S ATOM 8 CE MET A 1 -13.279 -20.257 -0.154 1.00 48.38 C ATOM 9 HA MET A 1 -12.621 -14.893 0.580 1.00 0.00 H ATOM 10 HB2 MET A 1 -11.820 -17.805 0.906 1.00 0.00 H ATOM 11 HB3 MET A 1 -13.213 -16.978 1.642 1.00 0.00 H ATOM 12 HG2 MET A 1 -12.829 -17.739 -1.261 1.00 0.00 H ATOM 13 HG3 MET A 1 -14.128 -16.667 -0.689 1.00 0.00 H ATOM 14 HE1 MET A 1 -12.931 -20.286 -1.187 1.00 0.00 H ATOM 15 HE2 MET A 1 -12.431 -20.095 0.512 1.00 0.00 H ATOM 16 HE3 MET A 1 -13.763 -21.202 0.095 1.00 0.00 H ATOM 17 HN3 MET A 1 -10.495 -16.419 -0.769 1.00 0.00 H ATOM 18 HN2 MET A 1 -10.744 -14.740 -0.856 1.00 0.00 H ATOM 19 HN1 MET A 1 -11.905 -15.806 -1.492 1.00 0.00 H ATOM 20 N ASN A 2 -11.349 -15.003 2.855 1.00 29.82 N ATOM 21 CA ASN A 2 -10.494 -14.957 4.038 1.00 33.70 C ATOM 22 C ASN A 2 -10.449 -16.320 4.745 1.00 29.77 C ATOM 23 O ASN A 2 -11.142 -17.257 4.337 1.00 28.71 O ATOM 24 CB ASN A 2 -10.899 -13.818 4.984 1.00 29.85 C ATOM 25 CG ASN A 2 -12.249 -14.047 5.655 1.00 36.11 C ATOM 26 OD1 ASN A 2 -12.646 -15.185 5.926 1.00 36.18 O ATOM 27 ND2 ASN A 2 -12.958 -12.957 5.941 1.00 36.65 N ATOM 28 HA ASN A 2 -9.478 -14.738 3.708 1.00 0.00 H ATOM 29 HB2 ASN A 2 -10.138 -13.723 5.759 1.00 0.00 H ATOM 30 HB3 ASN A 2 -10.949 -12.892 4.411 1.00 0.00 H ATOM 31 HD22 ASN A 2 -12.588 -12.017 5.696 1.00 0.00 H ATOM 32 HD21 ASN A 2 -13.882 -13.046 6.410 1.00 0.00 H ATOM 33 H ASN A 2 -12.327 -14.655 2.910 1.00 0.00 H ATOM 34 N ALA A 3 -9.637 -16.445 5.794 1.00 26.40 N ATOM 35 CA ALA A 3 -9.445 -17.751 6.428 1.00 24.87 C ATOM 36 C ALA A 3 -10.732 -18.317 7.020 1.00 25.24 C ATOM 37 O ALA A 3 -11.009 -19.504 6.876 1.00 25.13 O ATOM 38 CB ALA A 3 -8.343 -17.690 7.481 1.00 22.36 C ATOM 39 HA ALA A 3 -9.136 -18.437 5.639 1.00 0.00 H ATOM 40 HB1 ALA A 3 -7.408 -17.389 7.009 1.00 0.00 H ATOM 41 HB2 ALA A 3 -8.615 -16.965 8.248 1.00 0.00 H ATOM 42 HB3 ALA A 3 -8.222 -18.673 7.936 1.00 0.00 H ATOM 43 H ALA A 3 -9.137 -15.611 6.164 1.00 0.00 H ATOM 44 N LYS A 4 -11.519 -17.482 7.692 1.00 24.46 N ATOM 45 CA LYS A 4 -12.751 -17.969 8.309 1.00 24.67 C ATOM 46 C LYS A 4 -13.754 -18.475 7.262 1.00 26.74 C ATOM 47 O LYS A 4 -14.489 -19.434 7.509 1.00 21.62 O ATOM 48 CB LYS A 4 -13.389 -16.880 9.180 1.00 26.59 C ATOM 49 HA LYS A 4 -12.483 -18.814 8.943 1.00 0.00 H ATOM 50 HB2 LYS A 4 -12.692 -16.590 9.966 1.00 0.00 H ATOM 51 HB3 LYS A 4 -13.623 -16.013 8.562 1.00 0.00 H ATOM 52 H LYS A 4 -11.257 -16.479 7.779 1.00 0.00 H ATOM 53 N GLU A 5 -13.786 -17.830 6.099 1.00 22.78 N ATOM 54 CA GLU A 5 -14.681 -18.254 5.021 1.00 27.80 C ATOM 55 C GLU A 5 -14.236 -19.596 4.435 1.00 26.60 C ATOM 56 O GLU A 5 -15.060 -20.475 4.154 1.00 24.99 O ATOM 57 CB GLU A 5 -14.723 -17.188 3.917 1.00 31.37 C ATOM 58 HA GLU A 5 -15.680 -18.376 5.439 1.00 0.00 H ATOM 59 HB2 GLU A 5 -15.086 -16.249 4.334 1.00 0.00 H ATOM 60 HB3 GLU A 5 -13.721 -17.045 3.514 1.00 0.00 H ATOM 61 H GLU A 5 -13.164 -17.010 5.953 1.00 0.00 H ATOM 62 N ILE A 6 -12.928 -19.750 4.253 1.00 28.12 N ATOM 63 CA ILE A 6 -12.381 -21.013 3.770 1.00 25.85 C ATOM 64 C ILE A 6 -12.706 -22.163 4.729 1.00 22.69 C ATOM 65 O ILE A 6 -13.108 -23.238 4.276 1.00 24.24 O ATOM 66 CB ILE A 6 -10.846 -20.939 3.548 1.00 23.70 C ATOM 67 CG1 ILE A 6 -10.507 -19.920 2.449 1.00 36.16 C ATOM 68 CG2 ILE A 6 -10.297 -22.290 3.188 1.00 23.35 C ATOM 69 HA ILE A 6 -12.856 -21.206 2.808 1.00 0.00 H ATOM 70 HB ILE A 6 -10.384 -20.613 4.480 1.00 0.00 H ATOM 71 HG12 ILE A 6 -10.985 -20.220 1.517 1.00 0.00 H ATOM 72 HG13 ILE A 6 -10.870 -18.935 2.744 1.00 0.00 H ATOM 73 HG21 ILE A 6 -10.504 -22.992 3.996 1.00 0.00 H ATOM 74 HG22 ILE A 6 -10.770 -22.640 2.271 1.00 0.00 H ATOM 75 HG23 ILE A 6 -9.220 -22.215 3.037 1.00 0.00 H ATOM 76 H ILE A 6 -12.285 -18.958 4.458 1.00 0.00 H ATOM 77 N VAL A 7 -12.521 -21.953 6.036 1.00 22.54 N ATOM 78 CA VAL A 7 -12.835 -22.986 7.040 1.00 25.98 C ATOM 79 C VAL A 7 -14.273 -23.505 6.865 1.00 24.98 C ATOM 80 O VAL A 7 -14.515 -24.715 6.771 1.00 23.46 O ATOM 81 CB VAL A 7 -12.667 -22.471 8.510 1.00 28.92 C ATOM 82 CG1 VAL A 7 -13.203 -23.506 9.515 1.00 25.28 C ATOM 83 CG2 VAL A 7 -11.199 -22.143 8.838 1.00 25.78 C ATOM 84 HA VAL A 7 -12.120 -23.792 6.873 1.00 0.00 H ATOM 85 HB VAL A 7 -13.247 -21.552 8.594 1.00 0.00 H ATOM 86 HG11 VAL A 7 -14.261 -23.683 9.322 1.00 0.00 H ATOM 87 HG12 VAL A 7 -12.651 -24.439 9.403 1.00 0.00 H ATOM 88 HG13 VAL A 7 -13.076 -23.126 10.529 1.00 0.00 H ATOM 89 HG21 VAL A 7 -10.592 -23.040 8.718 1.00 0.00 H ATOM 90 HG22 VAL A 7 -10.841 -21.368 8.161 1.00 0.00 H ATOM 91 HG23 VAL A 7 -11.128 -21.790 9.867 1.00 0.00 H ATOM 92 H VAL A 7 -12.146 -21.036 6.353 1.00 0.00 H ATOM 93 N VAL A 8 -15.226 -22.582 6.809 1.00 26.35 N ATOM 94 CA VAL A 8 -16.634 -22.954 6.694 1.00 23.06 C ATOM 95 C VAL A 8 -16.943 -23.608 5.347 1.00 24.44 C ATOM 96 O VAL A 8 -17.724 -24.558 5.286 1.00 22.88 O ATOM 97 CB VAL A 8 -17.554 -21.743 6.949 1.00 23.64 C ATOM 98 CG1 VAL A 8 -19.002 -22.093 6.635 1.00 25.17 C ATOM 99 CG2 VAL A 8 -17.413 -21.283 8.399 1.00 25.28 C ATOM 100 HA VAL A 8 -16.834 -23.696 7.466 1.00 0.00 H ATOM 101 HB VAL A 8 -17.255 -20.928 6.290 1.00 0.00 H ATOM 102 HG11 VAL A 8 -19.085 -22.385 5.588 1.00 0.00 H ATOM 103 HG12 VAL A 8 -19.321 -22.919 7.271 1.00 0.00 H ATOM 104 HG13 VAL A 8 -19.633 -21.224 6.822 1.00 0.00 H ATOM 105 HG21 VAL A 8 -17.695 -22.098 9.066 1.00 0.00 H ATOM 106 HG22 VAL A 8 -16.378 -20.997 8.589 1.00 0.00 H ATOM 107 HG23 VAL A 8 -18.066 -20.427 8.572 1.00 0.00 H ATOM 108 H VAL A 8 -14.965 -21.576 6.848 1.00 0.00 H ATOM 109 N HIS A 9 -16.325 -23.117 4.274 1.00 21.49 N ATOM 110 CA HIS A 9 -16.454 -23.771 2.965 1.00 26.42 C ATOM 111 C HIS A 9 -15.850 -25.189 3.001 1.00 25.36 C ATOM 112 O HIS A 9 -16.404 -26.124 2.427 1.00 20.78 O ATOM 113 CB HIS A 9 -15.826 -22.900 1.858 1.00 25.53 C ATOM 114 CG HIS A 9 -15.897 -23.488 0.479 1.00 30.60 C ATOM 115 ND1 HIS A 9 -17.083 -23.653 -0.213 1.00 36.45 N ATOM 116 CD2 HIS A 9 -14.920 -23.919 -0.360 1.00 33.14 C ATOM 117 CE1 HIS A 9 -16.835 -24.172 -1.403 1.00 29.73 C ATOM 118 NE2 HIS A 9 -15.527 -24.346 -1.518 1.00 38.14 N ATOM 119 HA HIS A 9 -17.513 -23.879 2.730 1.00 0.00 H ATOM 120 HB2 HIS A 9 -16.344 -21.941 1.845 1.00 0.00 H ATOM 121 HB3 HIS A 9 -14.776 -22.741 2.106 1.00 0.00 H ATOM 122 HD2 HIS A 9 -13.850 -23.925 -0.153 1.00 0.00 H ATOM 123 HE1 HIS A 9 -17.580 -24.415 -2.161 1.00 0.00 H ATOM 124 H HIS A 9 -15.744 -22.259 4.364 1.00 0.00 H ATOM 125 N ALA A 10 -14.735 -25.355 3.705 1.00 20.94 N ATOM 126 CA ALA A 10 -14.102 -26.666 3.820 1.00 23.79 C ATOM 127 C ALA A 10 -14.972 -27.662 4.573 1.00 20.94 C ATOM 128 O ALA A 10 -15.083 -28.812 4.164 1.00 21.75 O ATOM 129 CB ALA A 10 -12.723 -26.556 4.495 1.00 18.92 C ATOM 130 HA ALA A 10 -13.972 -27.040 2.804 1.00 0.00 H ATOM 131 HB1 ALA A 10 -12.080 -25.908 3.900 1.00 0.00 H ATOM 132 HB2 ALA A 10 -12.841 -26.136 5.494 1.00 0.00 H ATOM 133 HB3 ALA A 10 -12.275 -27.547 4.567 1.00 0.00 H ATOM 134 H ALA A 10 -14.306 -24.537 4.182 1.00 0.00 H ATOM 135 N LEU A 11 -15.560 -27.232 5.686 1.00 21.16 N ATOM 136 CA LEU A 11 -16.429 -28.115 6.460 1.00 21.36 C ATOM 137 C LEU A 11 -17.621 -28.543 5.607 1.00 22.08 C ATOM 138 O LEU A 11 -18.025 -29.712 5.623 1.00 22.51 O ATOM 139 CB LEU A 11 -16.886 -27.441 7.760 1.00 22.66 C ATOM 140 CG LEU A 11 -15.745 -27.033 8.710 1.00 23.84 C ATOM 141 CD1 LEU A 11 -16.264 -26.524 10.063 1.00 24.94 C ATOM 142 CD2 LEU A 11 -14.767 -28.181 8.924 1.00 22.48 C ATOM 143 HA LEU A 11 -15.865 -29.005 6.741 1.00 0.00 H ATOM 144 HB2 LEU A 11 -17.447 -26.544 7.498 1.00 0.00 H ATOM 145 HB3 LEU A 11 -17.538 -28.134 8.291 1.00 0.00 H ATOM 146 HG LEU A 11 -15.221 -26.209 8.225 1.00 0.00 H ATOM 147 HD21 LEU A 11 -15.295 -29.030 9.359 1.00 0.00 H ATOM 148 HD22 LEU A 11 -14.335 -28.472 7.966 1.00 0.00 H ATOM 149 HD23 LEU A 11 -13.974 -27.860 9.599 1.00 0.00 H ATOM 150 HD11 LEU A 11 -16.898 -25.652 9.903 1.00 0.00 H ATOM 151 HD12 LEU A 11 -16.842 -27.311 10.548 1.00 0.00 H ATOM 152 HD13 LEU A 11 -15.419 -26.250 10.695 1.00 0.00 H ATOM 153 H LEU A 11 -15.399 -26.256 6.009 1.00 0.00 H ATOM 154 N ARG A 12 -18.162 -27.604 4.834 1.00 23.67 N ATOM 155 CA ARG A 12 -19.305 -27.904 3.963 1.00 25.28 C ATOM 156 C ARG A 12 -18.952 -28.978 2.929 1.00 24.30 C ATOM 157 O ARG A 12 -19.721 -29.914 2.696 1.00 22.49 O ATOM 158 CB ARG A 12 -19.792 -26.628 3.258 1.00 24.39 C ATOM 159 CG ARG A 12 -20.461 -25.601 4.192 1.00 30.46 C ATOM 160 CD ARG A 12 -21.333 -24.624 3.371 1.00 33.28 C ATOM 161 NE ARG A 12 -21.670 -23.415 4.115 1.00 36.02 N ATOM 162 HA ARG A 12 -20.108 -28.291 4.590 1.00 0.00 H ATOM 163 HB2 ARG A 12 -18.934 -26.151 2.785 1.00 0.00 H ATOM 164 HB3 ARG A 12 -20.514 -26.915 2.493 1.00 0.00 H ATOM 165 HG2 ARG A 12 -21.088 -26.125 4.914 1.00 0.00 H ATOM 166 HG3 ARG A 12 -19.691 -25.040 4.721 1.00 0.00 H ATOM 167 HD2 ARG A 12 -22.256 -25.131 3.090 1.00 0.00 H ATOM 168 HD3 ARG A 12 -20.788 -24.340 2.471 1.00 0.00 H ATOM 169 HE ARG A 12 -21.326 -23.291 5.089 1.00 0.00 H ATOM 170 H ARG A 12 -17.768 -26.642 4.847 1.00 0.00 H ATOM 171 N LEU A 13 -17.780 -28.846 2.317 1.00 20.73 N ATOM 172 CA LEU A 13 -17.320 -29.842 1.350 1.00 22.90 C ATOM 173 C LEU A 13 -17.242 -31.245 1.952 1.00 24.80 C ATOM 174 O LEU A 13 -17.681 -32.215 1.330 1.00 22.55 O ATOM 175 CB LEU A 13 -15.963 -29.438 0.771 1.00 24.36 C ATOM 176 CG LEU A 13 -15.987 -28.132 -0.032 1.00 25.75 C ATOM 177 CD1 LEU A 13 -14.594 -27.763 -0.512 1.00 27.22 C ATOM 178 CD2 LEU A 13 -16.948 -28.255 -1.207 1.00 25.44 C ATOM 179 HA LEU A 13 -18.058 -29.874 0.549 1.00 0.00 H ATOM 180 HB2 LEU A 13 -15.260 -29.320 1.596 1.00 0.00 H ATOM 181 HB3 LEU A 13 -15.619 -30.237 0.114 1.00 0.00 H ATOM 182 HG LEU A 13 -16.337 -27.333 0.622 1.00 0.00 H ATOM 183 HD21 LEU A 13 -16.624 -29.068 -1.856 1.00 0.00 H ATOM 184 HD22 LEU A 13 -17.951 -28.464 -0.834 1.00 0.00 H ATOM 185 HD23 LEU A 13 -16.955 -27.321 -1.768 1.00 0.00 H ATOM 186 HD11 LEU A 13 -13.937 -27.633 0.348 1.00 0.00 H ATOM 187 HD12 LEU A 13 -14.208 -28.559 -1.149 1.00 0.00 H ATOM 188 HD13 LEU A 13 -14.641 -26.833 -1.078 1.00 0.00 H ATOM 189 H LEU A 13 -17.181 -28.022 2.529 1.00 0.00 H ATOM 190 N LEU A 14 -16.677 -31.358 3.152 1.00 23.38 N ATOM 191 CA LEU A 14 -16.536 -32.667 3.798 1.00 25.35 C ATOM 192 C LEU A 14 -17.892 -33.268 4.166 1.00 24.32 C ATOM 193 O LEU A 14 -18.094 -34.474 4.034 1.00 27.82 O ATOM 194 CB LEU A 14 -15.661 -32.576 5.055 1.00 25.46 C ATOM 195 CG LEU A 14 -14.144 -32.409 4.955 1.00 25.38 C ATOM 196 CD1 LEU A 14 -13.537 -32.418 6.360 1.00 27.21 C ATOM 197 CD2 LEU A 14 -13.487 -33.491 4.088 1.00 26.70 C ATOM 198 HA LEU A 14 -16.052 -33.321 3.073 1.00 0.00 H ATOM 199 HB2 LEU A 14 -16.029 -31.724 5.626 1.00 0.00 H ATOM 200 HB3 LEU A 14 -15.834 -33.492 5.619 1.00 0.00 H ATOM 201 HG LEU A 14 -13.949 -31.454 4.468 1.00 0.00 H ATOM 202 HD21 LEU A 14 -13.689 -34.472 4.519 1.00 0.00 H ATOM 203 HD22 LEU A 14 -13.897 -33.445 3.079 1.00 0.00 H ATOM 204 HD23 LEU A 14 -12.411 -33.323 4.053 1.00 0.00 H ATOM 205 HD11 LEU A 14 -13.956 -31.597 6.941 1.00 0.00 H ATOM 206 HD12 LEU A 14 -13.768 -33.365 6.848 1.00 0.00 H ATOM 207 HD13 LEU A 14 -12.456 -32.299 6.288 1.00 0.00 H ATOM 208 H LEU A 14 -16.331 -30.506 3.638 1.00 0.00 H ATOM 209 N GLU A 15 -18.817 -32.433 4.640 1.00 24.27 N ATOM 210 CA GLU A 15 -20.161 -32.900 4.958 1.00 27.29 C ATOM 211 C GLU A 15 -20.845 -33.521 3.753 1.00 27.48 C ATOM 212 O GLU A 15 -21.755 -34.338 3.903 1.00 29.57 O ATOM 213 CB GLU A 15 -21.046 -31.749 5.449 1.00 27.63 C ATOM 214 CG GLU A 15 -20.648 -31.155 6.769 1.00 29.55 C ATOM 215 CD GLU A 15 -21.659 -30.115 7.240 1.00 35.76 C ATOM 216 OE1 GLU A 15 -22.495 -29.671 6.412 1.00 38.44 O ATOM 217 OE2 GLU A 15 -21.624 -29.745 8.432 1.00 39.66 O ATOM 218 HA GLU A 15 -20.041 -33.649 5.740 1.00 0.00 H ATOM 219 HB2 GLU A 15 -21.017 -30.958 4.700 1.00 0.00 H ATOM 220 HB3 GLU A 15 -22.066 -32.123 5.541 1.00 0.00 H ATOM 221 HG2 GLU A 15 -20.585 -31.951 7.512 1.00 0.00 H ATOM 222 HG3 GLU A 15 -19.673 -30.680 6.664 1.00 0.00 H ATOM 223 H GLU A 15 -18.576 -31.432 4.785 1.00 0.00 H ATOM 224 N ASN A 16 -20.442 -33.102 2.559 1.00 27.22 N ATOM 225 CA ASN A 16 -21.024 -33.647 1.333 1.00 30.10 C ATOM 226 C ASN A 16 -20.224 -34.795 0.746 1.00 32.21 C ATOM 227 O ASN A 16 -20.442 -35.180 -0.400 1.00 35.09 O ATOM 228 CB ASN A 16 -21.179 -32.547 0.281 1.00 34.97 C ATOM 229 CG ASN A 16 -22.510 -31.842 0.378 1.00 43.31 C ATOM 230 OD1 ASN A 16 -23.471 -32.210 -0.303 1.00 50.07 O ATOM 231 ND2 ASN A 16 -22.578 -30.820 1.223 1.00 43.95 N ATOM 232 HA ASN A 16 -22.000 -34.044 1.613 1.00 0.00 H ATOM 233 HB2 ASN A 16 -20.384 -31.815 0.420 1.00 0.00 H ATOM 234 HB3 ASN A 16 -21.091 -32.994 -0.709 1.00 0.00 H ATOM 235 HD22 ASN A 16 -21.741 -30.546 1.776 1.00 0.00 H ATOM 236 HD21 ASN A 16 -23.468 -30.293 1.332 1.00 0.00 H ATOM 237 H ASN A 16 -19.701 -32.375 2.495 1.00 0.00 H ATOM 238 N GLY A 17 -19.280 -35.329 1.520 1.00 31.03 N ATOM 239 CA GLY A 17 -18.454 -36.428 1.041 1.00 30.17 C ATOM 240 C GLY A 17 -17.472 -36.010 -0.044 1.00 33.45 C ATOM 241 O GLY A 17 -16.862 -36.865 -0.679 1.00 32.27 O ATOM 242 HA3 GLY A 17 -19.107 -37.203 0.638 1.00 0.00 H ATOM 243 HA2 GLY A 17 -17.890 -36.831 1.883 1.00 0.00 H ATOM 244 H GLY A 17 -19.131 -34.956 2.479 1.00 0.00 H ATOM 245 N ASP A 18 -17.311 -34.702 -0.253 1.00 28.01 N ATOM 246 CA ASP A 18 -16.478 -34.188 -1.351 1.00 26.51 C ATOM 247 C ASP A 18 -15.023 -33.967 -0.905 1.00 29.20 C ATOM 248 O ASP A 18 -14.550 -32.831 -0.815 1.00 25.75 O ATOM 249 CB ASP A 18 -17.088 -32.886 -1.890 1.00 28.64 C ATOM 250 CG ASP A 18 -16.439 -32.410 -3.192 1.00 29.44 C ATOM 251 OD1 ASP A 18 -15.606 -33.151 -3.745 1.00 30.64 O ATOM 252 HA ASP A 18 -16.458 -34.933 -2.146 1.00 0.00 H ATOM 253 HB2 ASP A 18 -18.150 -33.050 -2.072 1.00 0.00 H ATOM 254 HB3 ASP A 18 -16.965 -32.108 -1.137 1.00 0.00 H ATOM 255 H ASP A 18 -17.788 -34.027 0.378 1.00 0.00 H ATOM 256 N ALA A 19 -14.310 -35.059 -0.635 1.00 29.86 N ATOM 257 CA ALA A 19 -12.921 -34.975 -0.184 1.00 30.32 C ATOM 258 C ALA A 19 -12.003 -34.405 -1.266 1.00 29.17 C ATOM 259 O ALA A 19 -10.974 -33.789 -0.963 1.00 29.97 O ATOM 260 CB ALA A 19 -12.435 -36.349 0.254 1.00 32.20 C ATOM 261 HA ALA A 19 -12.886 -34.291 0.664 1.00 0.00 H ATOM 262 HB1 ALA A 19 -13.058 -36.710 1.072 1.00 0.00 H ATOM 263 HB2 ALA A 19 -12.500 -37.041 -0.586 1.00 0.00 H ATOM 264 HB3 ALA A 19 -11.400 -36.277 0.588 1.00 0.00 H ATOM 265 H ALA A 19 -14.751 -35.994 -0.748 1.00 0.00 H ATOM 266 N ARG A 20 -12.360 -34.612 -2.532 1.00 27.44 N ATOM 267 CA ARG A 20 -11.543 -34.072 -3.628 1.00 28.84 C ATOM 268 C ARG A 20 -11.588 -32.546 -3.613 1.00 27.35 C ATOM 269 O ARG A 20 -10.552 -31.878 -3.751 1.00 27.52 O ATOM 270 CB ARG A 20 -12.001 -34.610 -4.986 1.00 31.20 C ATOM 271 HA ARG A 20 -10.514 -34.398 -3.475 1.00 0.00 H ATOM 272 HB2 ARG A 20 -11.914 -35.697 -4.993 1.00 0.00 H ATOM 273 HB3 ARG A 20 -13.039 -34.326 -5.156 1.00 0.00 H ATOM 274 H ARG A 20 -13.219 -35.157 -2.746 1.00 0.00 H ATOM 275 N GLY A 21 -12.787 -31.994 -3.441 1.00 29.66 N ATOM 276 CA GLY A 21 -12.941 -30.549 -3.351 1.00 26.96 C ATOM 277 C GLY A 21 -12.218 -29.961 -2.145 1.00 28.13 C ATOM 278 O GLY A 21 -11.627 -28.875 -2.220 1.00 23.27 O ATOM 279 HA3 GLY A 21 -14.002 -30.314 -3.272 1.00 0.00 H ATOM 280 HA2 GLY A 21 -12.537 -30.097 -4.257 1.00 0.00 H ATOM 281 H GLY A 21 -13.626 -32.604 -3.370 1.00 0.00 H ATOM 282 N TRP A 22 -12.272 -30.674 -1.024 1.00 26.51 N ATOM 283 CA TRP A 22 -11.596 -30.241 0.206 1.00 24.25 C ATOM 284 C TRP A 22 -10.085 -30.153 -0.019 1.00 25.06 C ATOM 285 O TRP A 22 -9.462 -29.147 0.325 1.00 22.92 O ATOM 286 CB TRP A 22 -11.927 -31.218 1.341 1.00 27.24 C ATOM 287 CG TRP A 22 -11.435 -30.845 2.710 1.00 23.03 C ATOM 288 CD1 TRP A 22 -12.053 -30.029 3.604 1.00 24.24 C ATOM 289 CD2 TRP A 22 -10.249 -31.327 3.357 1.00 23.22 C ATOM 290 NE1 TRP A 22 -11.320 -29.954 4.768 1.00 24.72 N ATOM 291 CE2 TRP A 22 -10.207 -30.742 4.639 1.00 25.98 C ATOM 292 CE3 TRP A 22 -9.216 -32.192 2.972 1.00 25.90 C ATOM 293 CZ2 TRP A 22 -9.168 -30.985 5.538 1.00 24.22 C ATOM 294 CZ3 TRP A 22 -8.176 -32.435 3.869 1.00 28.60 C ATOM 295 CH2 TRP A 22 -8.163 -31.832 5.138 1.00 25.98 C ATOM 296 HA TRP A 22 -11.950 -29.248 0.484 1.00 0.00 H ATOM 297 HB2 TRP A 22 -13.012 -31.311 1.392 1.00 0.00 H ATOM 298 HB3 TRP A 22 -11.492 -32.184 1.084 1.00 0.00 H ATOM 299 HE1 TRP A 22 -11.570 -29.392 5.606 1.00 0.00 H ATOM 300 HD1 TRP A 22 -12.994 -29.508 3.426 1.00 0.00 H ATOM 301 HZ2 TRP A 22 -9.154 -30.519 6.523 1.00 0.00 H ATOM 302 HH2 TRP A 22 -7.338 -32.041 5.819 1.00 0.00 H ATOM 303 HZ3 TRP A 22 -7.363 -33.101 3.582 1.00 0.00 H ATOM 304 HE3 TRP A 22 -9.225 -32.666 1.990 1.00 0.00 H ATOM 305 H TRP A 22 -12.809 -31.565 -1.018 1.00 0.00 H ATOM 306 N CYS A 23 -9.496 -31.201 -0.597 1.00 26.33 N ATOM 307 CA CYS A 23 -8.068 -31.194 -0.925 1.00 25.34 C ATOM 308 C CYS A 23 -7.701 -30.111 -1.941 1.00 27.59 C ATOM 309 O CYS A 23 -6.601 -29.550 -1.896 1.00 26.26 O ATOM 310 CB CYS A 23 -7.638 -32.556 -1.458 1.00 31.66 C ATOM 311 SG CYS A 23 -7.724 -33.842 -0.215 1.00 33.25 S ATOM 312 HA CYS A 23 -7.538 -30.971 0.001 1.00 0.00 H ATOM 313 HB2 CYS A 23 -6.610 -32.483 -1.814 1.00 0.00 H ATOM 314 HB3 CYS A 23 -8.290 -32.828 -2.288 1.00 0.00 H ATOM 315 HG CYS A 23 -9.022 -33.955 0.239 1.00 0.00 H ATOM 316 H CYS A 23 -10.064 -32.043 -0.820 1.00 0.00 H ATOM 317 N ASP A 24 -8.623 -29.834 -2.858 1.00 28.98 N ATOM 318 CA ASP A 24 -8.449 -28.774 -3.846 1.00 32.19 C ATOM 319 C ASP A 24 -8.223 -27.408 -3.190 1.00 30.85 C ATOM 320 O ASP A 24 -7.597 -26.525 -3.775 1.00 27.42 O ATOM 321 CB ASP A 24 -9.675 -28.704 -4.766 1.00 29.23 C ATOM 322 CG ASP A 24 -9.503 -29.513 -6.039 1.00 41.01 C ATOM 323 OD1 ASP A 24 -8.617 -30.399 -6.078 1.00 45.46 O ATOM 324 OD2 ASP A 24 -10.264 -29.265 -7.004 1.00 45.53 O ATOM 325 HA ASP A 24 -7.561 -29.017 -4.429 1.00 0.00 H ATOM 326 HB2 ASP A 24 -10.540 -29.087 -4.224 1.00 0.00 H ATOM 327 HB3 ASP A 24 -9.849 -27.662 -5.036 1.00 0.00 H ATOM 328 H ASP A 24 -9.500 -30.393 -2.872 1.00 0.00 H ATOM 329 N LEU A 25 -8.741 -27.226 -1.978 1.00 27.25 N ATOM 330 CA LEU A 25 -8.555 -25.964 -1.271 1.00 24.88 C ATOM 331 C LEU A 25 -7.108 -25.728 -0.840 1.00 26.43 C ATOM 332 O LEU A 25 -6.712 -24.590 -0.592 1.00 28.14 O ATOM 333 CB LEU A 25 -9.467 -25.898 -0.042 1.00 24.24 C ATOM 334 CG LEU A 25 -10.963 -25.830 -0.304 1.00 29.50 C ATOM 335 CD1 LEU A 25 -11.716 -25.707 1.019 1.00 25.08 C ATOM 336 CD2 LEU A 25 -11.306 -24.657 -1.235 1.00 31.82 C ATOM 337 HA LEU A 25 -8.819 -25.177 -1.978 1.00 0.00 H ATOM 338 HB2 LEU A 25 -9.277 -26.787 0.559 1.00 0.00 H ATOM 339 HB3 LEU A 25 -9.191 -25.011 0.527 1.00 0.00 H ATOM 340 HG LEU A 25 -11.271 -26.750 -0.802 1.00 0.00 H ATOM 341 HD21 LEU A 25 -10.989 -23.723 -0.772 1.00 0.00 H ATOM 342 HD22 LEU A 25 -10.789 -24.787 -2.186 1.00 0.00 H ATOM 343 HD23 LEU A 25 -12.382 -24.633 -1.405 1.00 0.00 H ATOM 344 HD11 LEU A 25 -11.498 -26.575 1.642 1.00 0.00 H ATOM 345 HD12 LEU A 25 -11.398 -24.800 1.533 1.00 0.00 H ATOM 346 HD13 LEU A 25 -12.787 -25.659 0.823 1.00 0.00 H ATOM 347 H LEU A 25 -9.284 -27.992 -1.530 1.00 0.00 H ATOM 348 N PHE A 26 -6.322 -26.792 -0.714 1.00 25.53 N ATOM 349 CA PHE A 26 -4.932 -26.628 -0.277 1.00 24.90 C ATOM 350 C PHE A 26 -4.041 -26.136 -1.394 1.00 28.41 C ATOM 351 O PHE A 26 -4.225 -26.506 -2.555 1.00 27.51 O ATOM 352 CB PHE A 26 -4.343 -27.944 0.246 1.00 23.00 C ATOM 353 CG PHE A 26 -4.842 -28.331 1.607 1.00 24.81 C ATOM 354 CD1 PHE A 26 -6.106 -28.880 1.762 1.00 22.66 C ATOM 355 CD2 PHE A 26 -4.050 -28.146 2.733 1.00 21.02 C ATOM 356 CE1 PHE A 26 -6.575 -29.252 3.024 1.00 23.98 C ATOM 357 CE2 PHE A 26 -4.513 -28.513 3.993 1.00 23.09 C ATOM 358 CZ PHE A 26 -5.777 -29.076 4.137 1.00 22.51 C ATOM 359 HA PHE A 26 -4.961 -25.888 0.523 1.00 0.00 H ATOM 360 HB2 PHE A 26 -4.601 -28.739 -0.454 1.00 0.00 H ATOM 361 HB3 PHE A 26 -3.259 -27.841 0.293 1.00 0.00 H ATOM 362 HD2 PHE A 26 -3.057 -27.709 2.629 1.00 0.00 H ATOM 363 HE2 PHE A 26 -3.884 -28.359 4.869 1.00 0.00 H ATOM 364 HZ PHE A 26 -6.135 -29.376 5.122 1.00 0.00 H ATOM 365 HE1 PHE A 26 -7.571 -29.681 3.130 1.00 0.00 H ATOM 366 HD1 PHE A 26 -6.741 -29.023 0.888 1.00 0.00 H ATOM 367 H PHE A 26 -6.693 -27.741 -0.925 1.00 0.00 H ATOM 368 N HIS A 27 -3.076 -25.301 -1.019 1.00 27.03 N ATOM 369 CA HIS A 27 -1.944 -24.950 -1.865 1.00 29.38 C ATOM 370 C HIS A 27 -1.177 -26.235 -2.203 1.00 32.62 C ATOM 371 O HIS A 27 -1.135 -27.174 -1.399 1.00 26.21 O ATOM 372 CB HIS A 27 -1.051 -23.980 -1.082 1.00 30.41 C ATOM 373 CG HIS A 27 0.065 -23.383 -1.879 1.00 38.01 C ATOM 374 ND1 HIS A 27 1.251 -24.049 -2.116 1.00 35.55 N ATOM 375 CD2 HIS A 27 0.191 -22.168 -2.464 1.00 39.72 C ATOM 376 CE1 HIS A 27 2.051 -23.279 -2.830 1.00 35.40 C ATOM 377 NE2 HIS A 27 1.432 -22.133 -3.057 1.00 42.60 N ATOM 378 HA HIS A 27 -2.268 -24.476 -2.791 1.00 0.00 H ATOM 379 HB2 HIS A 27 -1.675 -23.168 -0.709 1.00 0.00 H ATOM 380 HB3 HIS A 27 -0.618 -24.520 -0.240 1.00 0.00 H ATOM 381 HD2 HIS A 27 -0.550 -21.369 -2.465 1.00 0.00 H ATOM 382 HE1 HIS A 27 3.051 -23.543 -3.174 1.00 0.00 H ATOM 383 H HIS A 27 -3.133 -24.876 -0.071 1.00 0.00 H ATOM 384 N PRO A 28 -0.578 -26.302 -3.404 1.00 32.83 N ATOM 385 CA PRO A 28 0.178 -27.510 -3.755 1.00 30.49 C ATOM 386 C PRO A 28 1.179 -27.877 -2.675 1.00 27.11 C ATOM 387 O PRO A 28 1.449 -29.051 -2.474 1.00 29.68 O ATOM 388 CB PRO A 28 0.917 -27.099 -5.037 1.00 33.33 C ATOM 389 CG PRO A 28 0.021 -26.058 -5.653 1.00 38.46 C ATOM 390 CD PRO A 28 -0.591 -25.307 -4.494 1.00 37.72 C ATOM 391 HA PRO A 28 -0.465 -28.382 -3.874 1.00 0.00 H ATOM 392 HD3 PRO A 28 0.007 -24.434 -4.234 1.00 0.00 H ATOM 393 HD2 PRO A 28 -1.609 -24.993 -4.725 1.00 0.00 H ATOM 394 HG3 PRO A 28 -0.757 -26.532 -6.252 1.00 0.00 H ATOM 395 HG2 PRO A 28 0.600 -25.381 -6.281 1.00 0.00 H ATOM 396 HB2 PRO A 28 1.896 -26.680 -4.803 1.00 0.00 H ATOM 397 HB3 PRO A 28 1.038 -27.951 -5.705 1.00 0.00 H ATOM 398 N GLU A 29 1.723 -26.877 -1.991 1.00 30.90 N ATOM 399 CA GLU A 29 2.694 -27.122 -0.937 1.00 31.95 C ATOM 400 C GLU A 29 2.066 -26.956 0.452 1.00 32.21 C ATOM 401 O GLU A 29 2.769 -26.830 1.457 1.00 28.25 O ATOM 402 CB GLU A 29 3.906 -26.196 -1.097 1.00 36.22 C ATOM 403 HA GLU A 29 3.031 -28.155 -1.027 1.00 0.00 H ATOM 404 HB2 GLU A 29 4.377 -26.380 -2.063 1.00 0.00 H ATOM 405 HB3 GLU A 29 3.578 -25.158 -1.043 1.00 0.00 H ATOM 406 H GLU A 29 1.449 -25.899 -2.214 1.00 0.00 H ATOM 407 N GLY A 30 0.739 -26.974 0.498 1.00 30.34 N ATOM 408 CA GLY A 30 0.008 -26.857 1.749 1.00 26.43 C ATOM 409 C GLY A 30 0.189 -28.063 2.659 1.00 27.42 C ATOM 410 O GLY A 30 0.536 -29.151 2.214 1.00 27.55 O ATOM 411 HA3 GLY A 30 -1.053 -26.748 1.523 1.00 0.00 H ATOM 412 HA2 GLY A 30 0.359 -25.969 2.275 1.00 0.00 H ATOM 413 H GLY A 30 0.206 -27.075 -0.389 1.00 0.00 H ATOM 414 N VAL A 31 -0.081 -27.867 3.943 1.00 24.56 N ATOM 415 CA VAL A 31 0.230 -28.866 4.958 1.00 22.75 C ATOM 416 C VAL A 31 -0.998 -29.154 5.827 1.00 22.47 C ATOM 417 O VAL A 31 -1.661 -28.238 6.325 1.00 21.66 O ATOM 418 CB VAL A 31 1.366 -28.360 5.880 1.00 25.43 C ATOM 419 CG1 VAL A 31 1.627 -29.351 7.013 1.00 26.57 C ATOM 420 CG2 VAL A 31 2.638 -28.095 5.083 1.00 27.33 C ATOM 421 HA VAL A 31 0.540 -29.775 4.443 1.00 0.00 H ATOM 422 HB VAL A 31 1.047 -27.417 6.323 1.00 0.00 H ATOM 423 HG11 VAL A 31 0.720 -29.471 7.605 1.00 0.00 H ATOM 424 HG12 VAL A 31 1.918 -30.314 6.592 1.00 0.00 H ATOM 425 HG13 VAL A 31 2.429 -28.973 7.647 1.00 0.00 H ATOM 426 HG21 VAL A 31 2.962 -29.017 4.601 1.00 0.00 H ATOM 427 HG22 VAL A 31 2.439 -27.338 4.324 1.00 0.00 H ATOM 428 HG23 VAL A 31 3.419 -27.741 5.755 1.00 0.00 H ATOM 429 H VAL A 31 -0.528 -26.974 4.234 1.00 0.00 H ATOM 430 N LEU A 32 -1.305 -30.430 6.002 1.00 22.63 N ATOM 431 CA LEU A 32 -2.324 -30.824 6.959 1.00 20.18 C ATOM 432 C LEU A 32 -1.607 -31.389 8.179 1.00 23.62 C ATOM 433 O LEU A 32 -0.654 -32.169 8.048 1.00 20.48 O ATOM 434 CB LEU A 32 -3.261 -31.870 6.364 1.00 17.54 C ATOM 435 CG LEU A 32 -4.202 -32.599 7.340 1.00 24.15 C ATOM 436 CD1 LEU A 32 -5.271 -31.635 7.883 1.00 17.71 C ATOM 437 CD2 LEU A 32 -4.875 -33.808 6.671 1.00 20.99 C ATOM 438 HA LEU A 32 -2.935 -29.963 7.231 1.00 0.00 H ATOM 439 HB2 LEU A 32 -3.881 -31.371 5.619 1.00 0.00 H ATOM 440 HB3 LEU A 32 -2.645 -32.624 5.875 1.00 0.00 H ATOM 441 HG LEU A 32 -3.597 -32.963 8.171 1.00 0.00 H ATOM 442 HD21 LEU A 32 -5.458 -33.470 5.814 1.00 0.00 H ATOM 443 HD22 LEU A 32 -4.110 -34.509 6.337 1.00 0.00 H ATOM 444 HD23 LEU A 32 -5.532 -34.299 7.388 1.00 0.00 H ATOM 445 HD11 LEU A 32 -4.784 -30.813 8.408 1.00 0.00 H ATOM 446 HD12 LEU A 32 -5.858 -31.241 7.053 1.00 0.00 H ATOM 447 HD13 LEU A 32 -5.926 -32.170 8.571 1.00 0.00 H ATOM 448 H LEU A 32 -0.811 -31.158 5.448 1.00 0.00 H ATOM 449 N GLU A 33 -2.043 -30.990 9.367 1.00 18.13 N ATOM 450 CA GLU A 33 -1.458 -31.561 10.580 1.00 18.58 C ATOM 451 C GLU A 33 -2.503 -32.071 11.550 1.00 20.59 C ATOM 452 O GLU A 33 -3.518 -31.418 11.775 1.00 18.30 O ATOM 453 CB GLU A 33 -0.608 -30.512 11.305 1.00 19.17 C ATOM 454 CG GLU A 33 0.710 -30.219 10.630 1.00 23.42 C ATOM 455 CD GLU A 33 1.523 -29.197 11.423 1.00 35.28 C ATOM 456 OE1 GLU A 33 1.200 -28.997 12.618 1.00 34.44 O ATOM 457 OE2 GLU A 33 2.463 -28.590 10.859 1.00 36.93 O ATOM 458 HA GLU A 33 -0.847 -32.403 10.255 1.00 0.00 H ATOM 459 HB2 GLU A 33 -1.179 -29.585 11.360 1.00 0.00 H ATOM 460 HB3 GLU A 33 -0.405 -30.872 12.314 1.00 0.00 H ATOM 461 HG2 GLU A 33 1.282 -31.143 10.550 1.00 0.00 H ATOM 462 HG3 GLU A 33 0.519 -29.824 9.632 1.00 0.00 H ATOM 463 H GLU A 33 -2.796 -30.276 9.435 1.00 0.00 H ATOM 464 N TYR A 34 -2.225 -33.228 12.148 1.00 19.56 N ATOM 465 CA TYR A 34 -3.004 -33.717 13.264 1.00 19.95 C ATOM 466 C TYR A 34 -2.085 -33.737 14.472 1.00 20.35 C ATOM 467 O TYR A 34 -1.393 -34.730 14.681 1.00 21.05 O ATOM 468 CB TYR A 34 -3.453 -35.159 13.010 1.00 21.01 C ATOM 469 CG TYR A 34 -4.394 -35.376 11.840 1.00 22.47 C ATOM 470 CD1 TYR A 34 -5.280 -34.387 11.426 1.00 23.09 C ATOM 471 CD2 TYR A 34 -4.413 -36.596 11.169 1.00 24.27 C ATOM 472 CE1 TYR A 34 -6.152 -34.607 10.355 1.00 20.40 C ATOM 473 CE2 TYR A 34 -5.273 -36.823 10.116 1.00 21.76 C ATOM 474 CZ TYR A 34 -6.142 -35.825 9.718 1.00 22.56 C ATOM 475 OH TYR A 34 -6.999 -36.069 8.667 1.00 24.65 O ATOM 476 HA TYR A 34 -3.879 -33.083 13.410 1.00 0.00 H ATOM 477 HB3 TYR A 34 -3.955 -35.514 13.910 1.00 0.00 H ATOM 478 HB2 TYR A 34 -2.560 -35.759 12.833 1.00 0.00 H ATOM 479 HD2 TYR A 34 -3.733 -37.388 11.483 1.00 0.00 H ATOM 480 HE2 TYR A 34 -5.268 -37.783 9.601 1.00 0.00 H ATOM 481 HE1 TYR A 34 -6.833 -33.821 10.029 1.00 0.00 H ATOM 482 HD1 TYR A 34 -5.295 -33.428 11.943 1.00 0.00 H ATOM 483 HH TYR A 34 -6.473 -36.280 7.856 1.00 0.00 H ATOM 484 H TYR A 34 -1.425 -33.796 11.803 1.00 0.00 H ATOM 485 N PRO A 35 -2.054 -32.651 15.272 1.00 17.55 N ATOM 486 CA PRO A 35 -1.070 -32.654 16.365 1.00 17.88 C ATOM 487 C PRO A 35 -1.280 -33.813 17.349 1.00 19.02 C ATOM 488 O PRO A 35 -0.292 -34.269 17.948 1.00 20.50 O ATOM 489 CB PRO A 35 -1.292 -31.300 17.052 1.00 20.78 C ATOM 490 CG PRO A 35 -1.858 -30.423 15.947 1.00 20.46 C ATOM 491 CD PRO A 35 -2.776 -31.370 15.182 1.00 18.40 C ATOM 492 HA PRO A 35 -0.054 -32.792 15.996 1.00 0.00 H ATOM 493 HD3 PRO A 35 -3.757 -31.436 15.653 1.00 0.00 H ATOM 494 HD2 PRO A 35 -2.893 -31.055 14.145 1.00 0.00 H ATOM 495 HG3 PRO A 35 -1.064 -30.044 15.304 1.00 0.00 H ATOM 496 HG2 PRO A 35 -2.419 -29.585 16.362 1.00 0.00 H ATOM 497 HB2 PRO A 35 -2.000 -31.393 17.876 1.00 0.00 H ATOM 498 HB3 PRO A 35 -0.352 -30.895 17.427 1.00 0.00 H ATOM 499 N TYR A 36 -2.524 -34.274 17.507 1.00 18.08 N ATOM 500 CA TYR A 36 -2.838 -35.391 18.406 1.00 17.24 C ATOM 501 C TYR A 36 -3.416 -36.522 17.570 1.00 22.11 C ATOM 502 O TYR A 36 -4.635 -36.732 17.539 1.00 22.17 O ATOM 503 CB TYR A 36 -3.850 -34.991 19.501 1.00 20.81 C ATOM 504 CG TYR A 36 -3.528 -33.722 20.270 1.00 20.03 C ATOM 505 CD1 TYR A 36 -2.226 -33.252 20.370 1.00 20.10 C ATOM 506 CD2 TYR A 36 -4.541 -32.995 20.904 1.00 19.84 C ATOM 507 CE1 TYR A 36 -1.937 -32.079 21.081 1.00 20.80 C ATOM 508 CE2 TYR A 36 -4.263 -31.836 21.612 1.00 19.48 C ATOM 509 CZ TYR A 36 -2.961 -31.386 21.701 1.00 20.57 C ATOM 510 OH TYR A 36 -2.681 -30.228 22.393 1.00 18.82 O ATOM 511 HA TYR A 36 -1.922 -35.699 18.911 1.00 0.00 H ATOM 512 HB3 TYR A 36 -3.908 -35.810 20.218 1.00 0.00 H ATOM 513 HB2 TYR A 36 -4.821 -34.856 19.025 1.00 0.00 H ATOM 514 HD2 TYR A 36 -5.571 -33.347 20.840 1.00 0.00 H ATOM 515 HE2 TYR A 36 -5.068 -31.283 22.096 1.00 0.00 H ATOM 516 HE1 TYR A 36 -0.911 -31.715 21.145 1.00 0.00 H ATOM 517 HD1 TYR A 36 -1.417 -33.802 19.889 1.00 0.00 H ATOM 518 HH TYR A 36 -1.708 -30.051 22.358 1.00 0.00 H ATOM 519 H TYR A 36 -3.297 -33.826 16.974 1.00 0.00 H ATOM 520 N PRO A 37 -2.548 -37.262 16.870 1.00 25.47 N ATOM 521 CA PRO A 37 -3.086 -38.241 15.918 1.00 21.98 C ATOM 522 C PRO A 37 -3.437 -39.562 16.606 1.00 26.20 C ATOM 523 O PRO A 37 -2.874 -39.876 17.665 1.00 24.04 O ATOM 524 CB PRO A 37 -1.909 -38.453 14.959 1.00 25.06 C ATOM 525 CG PRO A 37 -0.687 -38.310 15.850 1.00 24.36 C ATOM 526 CD PRO A 37 -1.076 -37.314 16.957 1.00 24.02 C ATOM 527 HA PRO A 37 -4.004 -37.902 15.438 1.00 0.00 H ATOM 528 HD3 PRO A 37 -0.755 -37.673 17.935 1.00 0.00 H ATOM 529 HD2 PRO A 37 -0.639 -36.333 16.770 1.00 0.00 H ATOM 530 HG3 PRO A 37 0.157 -37.927 15.276 1.00 0.00 H ATOM 531 HG2 PRO A 37 -0.421 -39.274 16.285 1.00 0.00 H ATOM 532 HB2 PRO A 37 -1.948 -39.445 14.509 1.00 0.00 H ATOM 533 HB3 PRO A 37 -1.907 -37.698 14.173 1.00 0.00 H ATOM 534 N PRO A 38 -4.366 -40.330 16.016 1.00 25.26 N ATOM 535 CA PRO A 38 -4.605 -41.688 16.505 1.00 29.10 C ATOM 536 C PRO A 38 -3.315 -42.502 16.383 1.00 27.54 C ATOM 537 O PRO A 38 -2.520 -42.261 15.467 1.00 24.78 O ATOM 538 CB PRO A 38 -5.682 -42.225 15.559 1.00 26.93 C ATOM 539 CG PRO A 38 -5.654 -41.358 14.378 1.00 30.62 C ATOM 540 CD PRO A 38 -5.187 -40.008 14.838 1.00 25.92 C ATOM 541 HA PRO A 38 -4.912 -41.734 17.550 1.00 0.00 H ATOM 542 HD3 PRO A 38 -4.593 -39.514 14.068 1.00 0.00 H ATOM 543 HD2 PRO A 38 -6.030 -39.372 15.109 1.00 0.00 H ATOM 544 HG3 PRO A 38 -6.651 -41.282 13.945 1.00 0.00 H ATOM 545 HG2 PRO A 38 -4.966 -41.760 13.634 1.00 0.00 H ATOM 546 HB2 PRO A 38 -5.460 -43.255 15.278 1.00 0.00 H ATOM 547 HB3 PRO A 38 -6.661 -42.183 16.037 1.00 0.00 H ATOM 548 N PRO A 39 -3.082 -43.427 17.325 1.00 28.33 N ATOM 549 CA PRO A 39 -1.872 -44.256 17.272 1.00 32.63 C ATOM 550 C PRO A 39 -1.653 -44.809 15.869 1.00 29.08 C ATOM 551 O PRO A 39 -2.596 -45.288 15.250 1.00 27.69 O ATOM 552 CB PRO A 39 -2.197 -45.390 18.241 1.00 30.18 C ATOM 553 CG PRO A 39 -3.059 -44.730 19.265 1.00 35.20 C ATOM 554 CD PRO A 39 -3.900 -43.723 18.515 1.00 33.77 C ATOM 555 HA PRO A 39 -0.965 -43.707 17.526 1.00 0.00 H ATOM 556 HD3 PRO A 39 -4.863 -44.149 18.233 1.00 0.00 H ATOM 557 HD2 PRO A 39 -4.062 -42.826 19.112 1.00 0.00 H ATOM 558 HG3 PRO A 39 -2.444 -44.229 20.012 1.00 0.00 H ATOM 559 HG2 PRO A 39 -3.696 -45.466 19.755 1.00 0.00 H ATOM 560 HB2 PRO A 39 -2.734 -46.193 17.737 1.00 0.00 H ATOM 561 HB3 PRO A 39 -1.289 -45.790 18.693 1.00 0.00 H ATOM 562 N GLY A 40 -0.426 -44.738 15.369 1.00 28.67 N ATOM 563 CA GLY A 40 -0.147 -45.249 14.043 1.00 29.35 C ATOM 564 C GLY A 40 -0.136 -44.196 12.953 1.00 31.50 C ATOM 565 O GLY A 40 0.597 -44.341 11.970 1.00 29.53 O ATOM 566 HA3 GLY A 40 -0.909 -45.988 13.795 1.00 0.00 H ATOM 567 HA2 GLY A 40 0.831 -45.730 14.062 1.00 0.00 H ATOM 568 H GLY A 40 0.339 -44.314 15.932 1.00 0.00 H ATOM 569 N TYR A 41 -0.937 -43.141 13.115 1.00 23.41 N ATOM 570 CA TYR A 41 -1.072 -42.119 12.071 1.00 28.21 C ATOM 571 C TYR A 41 0.034 -41.083 12.109 1.00 25.59 C ATOM 572 O TYR A 41 0.603 -40.813 13.161 1.00 21.54 O ATOM 573 CB TYR A 41 -2.413 -41.397 12.187 1.00 25.65 C ATOM 574 CG TYR A 41 -3.526 -42.050 11.413 1.00 31.48 C ATOM 575 CD1 TYR A 41 -4.132 -43.206 11.880 1.00 33.37 C ATOM 576 CD2 TYR A 41 -3.974 -41.513 10.210 1.00 31.50 C ATOM 577 CE1 TYR A 41 -5.156 -43.813 11.171 1.00 37.61 C ATOM 578 CE2 TYR A 41 -4.989 -42.119 9.495 1.00 32.12 C ATOM 579 CZ TYR A 41 -5.576 -43.266 9.984 1.00 35.96 C ATOM 580 OH TYR A 41 -6.594 -43.880 9.286 1.00 45.18 O ATOM 581 HA TYR A 41 -1.006 -42.655 11.124 1.00 0.00 H ATOM 582 HB3 TYR A 41 -2.288 -40.379 11.817 1.00 0.00 H ATOM 583 HB2 TYR A 41 -2.697 -41.368 13.239 1.00 0.00 H ATOM 584 HD2 TYR A 41 -3.517 -40.601 9.826 1.00 0.00 H ATOM 585 HE2 TYR A 41 -5.324 -41.692 8.549 1.00 0.00 H ATOM 586 HE1 TYR A 41 -5.625 -44.719 11.553 1.00 0.00 H ATOM 587 HD1 TYR A 41 -3.798 -43.645 12.820 1.00 0.00 H ATOM 588 HH TYR A 41 -6.894 -44.684 9.781 1.00 0.00 H ATOM 589 H TYR A 41 -1.476 -43.041 13.999 1.00 0.00 H ATOM 590 N LYS A 42 0.331 -40.493 10.956 1.00 23.65 N ATOM 591 CA LYS A 42 1.288 -39.395 10.901 1.00 21.08 C ATOM 592 C LYS A 42 0.672 -38.165 11.548 1.00 27.66 C ATOM 593 O LYS A 42 -0.553 -38.064 11.671 1.00 21.84 O ATOM 594 CB LYS A 42 1.629 -39.054 9.447 1.00 23.91 C ATOM 595 CG LYS A 42 2.521 -40.066 8.751 1.00 25.13 C ATOM 596 CD LYS A 42 2.614 -39.743 7.254 1.00 32.91 C ATOM 597 HA LYS A 42 2.195 -39.696 11.426 1.00 0.00 H ATOM 598 HB2 LYS A 42 0.697 -38.981 8.887 1.00 0.00 H ATOM 599 HB3 LYS A 42 2.135 -38.089 9.434 1.00 0.00 H ATOM 600 HG2 LYS A 42 3.518 -40.031 9.191 1.00 0.00 H ATOM 601 HG3 LYS A 42 2.103 -41.064 8.880 1.00 0.00 H ATOM 602 HD2 LYS A 42 1.618 -39.780 6.813 1.00 0.00 H ATOM 603 HD3 LYS A 42 3.034 -38.745 7.124 1.00 0.00 H ATOM 604 H LYS A 42 -0.126 -40.819 10.081 1.00 0.00 H ATOM 605 N THR A 43 1.524 -37.223 11.937 1.00 22.37 N ATOM 606 CA THR A 43 1.065 -35.976 12.524 1.00 24.70 C ATOM 607 C THR A 43 1.100 -34.864 11.490 1.00 23.64 C ATOM 608 O THR A 43 0.494 -33.808 11.672 1.00 24.03 O ATOM 609 CB THR A 43 1.952 -35.581 13.732 1.00 30.28 C ATOM 610 OG1 THR A 43 1.412 -34.413 14.356 1.00 35.51 O ATOM 611 CG2 THR A 43 3.376 -35.286 13.274 1.00 28.84 C ATOM 612 HA THR A 43 0.041 -36.121 12.867 1.00 0.00 H ATOM 613 HB THR A 43 1.969 -36.411 14.439 1.00 0.00 H ATOM 614 HG1 THR A 43 0.492 -34.603 14.669 1.00 0.00 H ATOM 615 HG23 THR A 43 3.794 -36.173 12.797 1.00 0.00 H ATOM 616 HG21 THR A 43 3.364 -34.461 12.562 1.00 0.00 H ATOM 617 HG22 THR A 43 3.985 -35.015 14.136 1.00 0.00 H ATOM 618 H THR A 43 2.545 -37.382 11.818 1.00 0.00 H ATOM 619 N ARG A 44 1.803 -35.104 10.388 1.00 22.26 N ATOM 620 CA ARG A 44 1.987 -34.063 9.383 1.00 22.66 C ATOM 621 C ARG A 44 1.900 -34.620 7.960 1.00 25.55 C ATOM 622 O ARG A 44 2.555 -35.612 7.643 1.00 23.75 O ATOM 623 CB ARG A 44 3.350 -33.397 9.602 1.00 27.37 C ATOM 624 CG ARG A 44 3.625 -32.213 8.679 1.00 31.67 C ATOM 625 CD ARG A 44 4.866 -31.460 9.123 1.00 33.47 C ATOM 626 NE ARG A 44 5.344 -30.571 8.067 1.00 35.10 N ATOM 627 CZ ARG A 44 5.234 -29.248 8.096 1.00 39.35 C ATOM 628 NH1 ARG A 44 4.681 -28.652 9.143 1.00 40.13 N ATOM 629 NH2 ARG A 44 5.691 -28.518 7.086 1.00 40.26 N ATOM 630 HA ARG A 44 1.185 -33.333 9.494 1.00 0.00 H ATOM 631 HB2 ARG A 44 3.397 -33.045 10.633 1.00 0.00 H ATOM 632 HB3 ARG A 44 4.126 -34.145 9.439 1.00 0.00 H ATOM 633 HG2 ARG A 44 3.773 -32.579 7.663 1.00 0.00 H ATOM 634 HG3 ARG A 44 2.770 -31.537 8.700 1.00 0.00 H ATOM 635 HD2 ARG A 44 5.650 -32.177 9.368 1.00 0.00 H ATOM 636 HD3 ARG A 44 4.627 -30.868 10.007 1.00 0.00 H ATOM 637 HE ARG A 44 5.800 -31.003 7.238 1.00 0.00 H ATOM 638 HH12 ARG A 44 4.595 -27.616 9.166 1.00 0.00 H ATOM 639 HH11 ARG A 44 4.333 -29.221 9.941 1.00 0.00 H ATOM 640 HH22 ARG A 44 5.603 -27.482 7.112 1.00 0.00 H ATOM 641 HH21 ARG A 44 6.137 -28.982 6.269 1.00 0.00 H ATOM 642 H ARG A 44 2.226 -36.043 10.241 1.00 0.00 H ATOM 643 N PHE A 45 1.089 -33.982 7.116 1.00 21.85 N ATOM 644 CA PHE A 45 0.928 -34.384 5.723 1.00 25.54 C ATOM 645 C PHE A 45 1.341 -33.216 4.852 1.00 28.01 C ATOM 646 O PHE A 45 0.657 -32.198 4.821 1.00 25.96 O ATOM 647 CB PHE A 45 -0.525 -34.777 5.428 1.00 21.28 C ATOM 648 CG PHE A 45 -1.021 -35.895 6.291 1.00 24.50 C ATOM 649 CD1 PHE A 45 -1.498 -35.643 7.575 1.00 22.20 C ATOM 650 CD2 PHE A 45 -0.973 -37.202 5.845 1.00 27.12 C ATOM 651 CE1 PHE A 45 -1.937 -36.685 8.391 1.00 24.84 C ATOM 652 CE2 PHE A 45 -1.418 -38.244 6.651 1.00 27.98 C ATOM 653 CZ PHE A 45 -1.894 -37.988 7.924 1.00 25.94 C ATOM 654 HA PHE A 45 1.550 -35.255 5.516 1.00 0.00 H ATOM 655 HB2 PHE A 45 -1.160 -33.906 5.591 1.00 0.00 H ATOM 656 HB3 PHE A 45 -0.595 -35.087 4.385 1.00 0.00 H ATOM 657 HD2 PHE A 45 -0.582 -37.418 4.851 1.00 0.00 H ATOM 658 HE2 PHE A 45 -1.392 -39.268 6.278 1.00 0.00 H ATOM 659 HZ PHE A 45 -2.234 -38.808 8.557 1.00 0.00 H ATOM 660 HE1 PHE A 45 -2.313 -36.475 9.392 1.00 0.00 H ATOM 661 HD1 PHE A 45 -1.529 -34.619 7.947 1.00 0.00 H ATOM 662 H PHE A 45 0.549 -33.164 7.465 1.00 0.00 H ATOM 663 N GLU A 46 2.461 -33.354 4.146 1.00 26.68 N ATOM 664 CA GLU A 46 3.000 -32.225 3.395 1.00 29.14 C ATOM 665 C GLU A 46 2.704 -32.334 1.905 1.00 30.10 C ATOM 666 O GLU A 46 3.013 -33.348 1.263 1.00 29.92 O ATOM 667 CB GLU A 46 4.508 -32.075 3.664 1.00 30.75 C ATOM 668 HA GLU A 46 2.498 -31.323 3.744 1.00 0.00 H ATOM 669 HB2 GLU A 46 4.671 -31.905 4.728 1.00 0.00 H ATOM 670 HB3 GLU A 46 5.023 -32.985 3.357 1.00 0.00 H ATOM 671 H GLU A 46 2.954 -34.270 4.130 1.00 0.00 H ATOM 672 N GLY A 47 2.083 -31.287 1.363 1.00 29.07 N ATOM 673 CA GLY A 47 1.758 -31.226 -0.056 1.00 31.41 C ATOM 674 C GLY A 47 0.380 -31.777 -0.379 1.00 29.69 C ATOM 675 O GLY A 47 -0.050 -32.766 0.217 1.00 27.29 O ATOM 676 HA3 GLY A 47 2.500 -31.804 -0.607 1.00 0.00 H ATOM 677 HA2 GLY A 47 1.799 -30.185 -0.377 1.00 0.00 H ATOM 678 H GLY A 47 1.822 -30.487 1.973 1.00 0.00 H ATOM 679 N ARG A 48 -0.308 -31.134 -1.322 1.00 29.94 N ATOM 680 CA ARG A 48 -1.699 -31.474 -1.640 1.00 33.53 C ATOM 681 C ARG A 48 -1.904 -32.934 -2.024 1.00 29.00 C ATOM 682 O ARG A 48 -2.891 -33.549 -1.622 1.00 27.64 O ATOM 683 CB ARG A 48 -2.256 -30.566 -2.744 1.00 30.37 C ATOM 684 CG ARG A 48 -3.716 -30.850 -3.073 1.00 32.05 C ATOM 685 CD ARG A 48 -4.327 -29.682 -3.840 1.00 37.79 C ATOM 686 NE ARG A 48 -3.765 -29.575 -5.179 1.00 42.87 N ATOM 687 CZ ARG A 48 -3.591 -28.433 -5.841 1.00 41.22 C ATOM 688 NH1 ARG A 48 -3.922 -27.267 -5.293 1.00 37.46 N ATOM 689 NH2 ARG A 48 -3.075 -28.461 -7.057 1.00 37.41 N ATOM 690 HA ARG A 48 -2.251 -31.309 -0.715 1.00 0.00 H ATOM 691 HB2 ARG A 48 -2.169 -29.530 -2.418 1.00 0.00 H ATOM 692 HB3 ARG A 48 -1.662 -30.712 -3.646 1.00 0.00 H ATOM 693 HG2 ARG A 48 -3.778 -31.752 -3.682 1.00 0.00 H ATOM 694 HG3 ARG A 48 -4.270 -31.000 -2.147 1.00 0.00 H ATOM 695 HD2 ARG A 48 -4.129 -28.758 -3.297 1.00 0.00 H ATOM 696 HD3 ARG A 48 -5.404 -29.833 -3.918 1.00 0.00 H ATOM 697 HE ARG A 48 -3.478 -30.455 -5.653 1.00 0.00 H ATOM 698 HH12 ARG A 48 -3.780 -26.384 -5.824 1.00 0.00 H ATOM 699 HH11 ARG A 48 -4.323 -27.238 -4.334 1.00 0.00 H ATOM 700 HH22 ARG A 48 -2.935 -27.575 -7.583 1.00 0.00 H ATOM 701 HH21 ARG A 48 -2.809 -29.369 -7.488 1.00 0.00 H ATOM 702 H ARG A 48 0.156 -30.367 -1.849 1.00 0.00 H ATOM 703 N GLU A 49 -0.975 -33.495 -2.797 1.00 28.43 N ATOM 704 CA GLU A 49 -1.106 -34.879 -3.254 1.00 27.65 C ATOM 705 C GLU A 49 -0.993 -35.881 -2.105 1.00 30.16 C ATOM 706 O GLU A 49 -1.704 -36.893 -2.066 1.00 24.78 O ATOM 707 CB GLU A 49 -0.055 -35.188 -4.322 1.00 35.41 C ATOM 708 HA GLU A 49 -2.103 -34.983 -3.683 1.00 0.00 H ATOM 709 HB2 GLU A 49 -0.193 -34.518 -5.171 1.00 0.00 H ATOM 710 HB3 GLU A 49 0.941 -35.044 -3.902 1.00 0.00 H ATOM 711 H GLU A 49 -0.143 -32.940 -3.080 1.00 0.00 H ATOM 712 N THR A 50 -0.096 -35.605 -1.166 1.00 25.85 N ATOM 713 CA THR A 50 0.068 -36.492 -0.017 1.00 28.01 C ATOM 714 C THR A 50 -1.189 -36.475 0.852 1.00 23.56 C ATOM 715 O THR A 50 -1.606 -37.494 1.392 1.00 22.27 O ATOM 716 CB THR A 50 1.285 -36.078 0.825 1.00 31.01 C ATOM 717 OG1 THR A 50 2.471 -36.158 0.018 1.00 36.21 O ATOM 718 CG2 THR A 50 1.425 -36.980 2.045 1.00 29.43 C ATOM 719 HA THR A 50 0.231 -37.502 -0.393 1.00 0.00 H ATOM 720 HB THR A 50 1.145 -35.054 1.170 1.00 0.00 H ATOM 721 HG1 THR A 50 3.256 -35.891 0.559 1.00 0.00 H ATOM 722 HG23 THR A 50 0.521 -36.913 2.651 1.00 0.00 H ATOM 723 HG21 THR A 50 1.570 -38.010 1.719 1.00 0.00 H ATOM 724 HG22 THR A 50 2.284 -36.660 2.635 1.00 0.00 H ATOM 725 H THR A 50 0.493 -34.752 -1.249 1.00 0.00 H ATOM 726 N ILE A 51 -1.777 -35.293 0.983 1.00 24.88 N ATOM 727 CA ILE A 51 -3.010 -35.105 1.727 1.00 24.46 C ATOM 728 C ILE A 51 -4.177 -35.837 1.065 1.00 23.74 C ATOM 729 O ILE A 51 -4.978 -36.494 1.724 1.00 24.51 O ATOM 730 CB ILE A 51 -3.330 -33.603 1.815 1.00 26.78 C ATOM 731 CG1 ILE A 51 -2.316 -32.921 2.747 1.00 23.36 C ATOM 732 CG2 ILE A 51 -4.758 -33.380 2.282 1.00 22.17 C ATOM 733 CD1 ILE A 51 -2.338 -31.397 2.650 1.00 22.95 C ATOM 734 HA ILE A 51 -2.872 -35.519 2.726 1.00 0.00 H ATOM 735 HB ILE A 51 -3.246 -33.157 0.824 1.00 0.00 H ATOM 736 HG12 ILE A 51 -2.543 -33.206 3.774 1.00 0.00 H ATOM 737 HG13 ILE A 51 -1.317 -33.270 2.487 1.00 0.00 H ATOM 738 HD11 ILE A 51 -2.102 -31.096 1.629 1.00 0.00 H ATOM 739 HD12 ILE A 51 -3.329 -31.031 2.918 1.00 0.00 H ATOM 740 HD13 ILE A 51 -1.599 -30.980 3.334 1.00 0.00 H ATOM 741 HG21 ILE A 51 -5.446 -33.845 1.576 1.00 0.00 H ATOM 742 HG22 ILE A 51 -4.890 -33.826 3.268 1.00 0.00 H ATOM 743 HG23 ILE A 51 -4.958 -32.310 2.336 1.00 0.00 H ATOM 744 H ILE A 51 -1.336 -34.465 0.534 1.00 0.00 H ATOM 745 N TRP A 52 -4.261 -35.716 -0.250 1.00 23.76 N ATOM 746 CA TRP A 52 -5.285 -36.404 -1.028 1.00 27.79 C ATOM 747 C TRP A 52 -5.160 -37.930 -0.908 1.00 27.56 C ATOM 748 O TRP A 52 -6.166 -38.633 -0.846 1.00 25.81 O ATOM 749 CB TRP A 52 -5.227 -35.937 -2.495 1.00 26.67 C ATOM 750 CG TRP A 52 -6.015 -36.791 -3.480 1.00 33.61 C ATOM 751 CD1 TRP A 52 -5.506 -37.544 -4.499 1.00 36.07 C ATOM 752 CD2 TRP A 52 -7.437 -36.968 -3.527 1.00 32.20 C ATOM 753 NE1 TRP A 52 -6.520 -38.177 -5.176 1.00 34.70 N ATOM 754 CE2 TRP A 52 -7.716 -37.842 -4.601 1.00 33.62 C ATOM 755 CE3 TRP A 52 -8.504 -36.473 -2.767 1.00 31.01 C ATOM 756 CZ2 TRP A 52 -9.014 -38.230 -4.936 1.00 34.43 C ATOM 757 CZ3 TRP A 52 -9.801 -36.868 -3.099 1.00 31.47 C ATOM 758 CH2 TRP A 52 -10.042 -37.737 -4.170 1.00 34.70 C ATOM 759 HA TRP A 52 -6.263 -36.144 -0.622 1.00 0.00 H ATOM 760 HB2 TRP A 52 -5.618 -34.921 -2.541 1.00 0.00 H ATOM 761 HB3 TRP A 52 -4.183 -35.937 -2.808 1.00 0.00 H ATOM 762 HE1 TRP A 52 -6.399 -38.809 -5.993 1.00 0.00 H ATOM 763 HD1 TRP A 52 -4.447 -37.630 -4.741 1.00 0.00 H ATOM 764 HZ2 TRP A 52 -9.205 -38.900 -5.775 1.00 0.00 H ATOM 765 HH2 TRP A 52 -11.067 -38.028 -4.401 1.00 0.00 H ATOM 766 HZ3 TRP A 52 -10.641 -36.493 -2.514 1.00 0.00 H ATOM 767 HE3 TRP A 52 -8.325 -35.793 -1.934 1.00 0.00 H ATOM 768 H TRP A 52 -3.575 -35.111 -0.745 1.00 0.00 H ATOM 769 N ALA A 53 -3.933 -38.444 -0.866 1.00 26.62 N ATOM 770 CA ALA A 53 -3.736 -39.894 -0.771 1.00 28.29 C ATOM 771 C ALA A 53 -4.403 -40.422 0.502 1.00 30.12 C ATOM 772 O ALA A 53 -4.961 -41.525 0.547 1.00 29.82 O ATOM 773 CB ALA A 53 -2.248 -40.225 -0.761 1.00 29.34 C ATOM 774 HA ALA A 53 -4.191 -40.373 -1.638 1.00 0.00 H ATOM 775 HB1 ALA A 53 -1.790 -39.862 -1.681 1.00 0.00 H ATOM 776 HB2 ALA A 53 -1.776 -39.744 0.095 1.00 0.00 H ATOM 777 HB3 ALA A 53 -2.118 -41.305 -0.690 1.00 0.00 H ATOM 778 H ALA A 53 -3.108 -37.812 -0.901 1.00 0.00 H ATOM 779 N HIS A 54 -4.334 -39.599 1.535 1.00 29.52 N ATOM 780 CA HIS A 54 -4.943 -39.863 2.821 1.00 29.78 C ATOM 781 C HIS A 54 -6.472 -39.646 2.795 1.00 28.71 C ATOM 782 O HIS A 54 -7.250 -40.526 3.179 1.00 28.91 O ATOM 783 CB HIS A 54 -4.261 -38.914 3.827 1.00 30.43 C ATOM 784 CG HIS A 54 -4.948 -38.809 5.145 1.00 26.87 C ATOM 785 ND1 HIS A 54 -5.370 -39.912 5.857 1.00 33.79 N ATOM 786 CD2 HIS A 54 -5.287 -37.728 5.884 1.00 28.06 C ATOM 787 CE1 HIS A 54 -5.942 -39.512 6.979 1.00 31.23 C ATOM 788 NE2 HIS A 54 -5.902 -38.191 7.022 1.00 27.46 N ATOM 789 HA HIS A 54 -4.802 -40.907 3.102 1.00 0.00 H ATOM 790 HB2 HIS A 54 -3.247 -39.273 4.000 1.00 0.00 H ATOM 791 HB3 HIS A 54 -4.222 -37.919 3.383 1.00 0.00 H ATOM 792 HD2 HIS A 54 -5.106 -36.685 5.625 1.00 0.00 H ATOM 793 HE1 HIS A 54 -6.374 -40.161 7.741 1.00 0.00 H ATOM 794 H HIS A 54 -3.810 -38.708 1.416 1.00 0.00 H ATOM 795 N MET A 55 -6.908 -38.480 2.330 1.00 28.58 N ATOM 796 CA MET A 55 -8.325 -38.093 2.466 1.00 28.01 C ATOM 797 C MET A 55 -9.282 -38.730 1.459 1.00 29.12 C ATOM 798 O MET A 55 -10.471 -38.849 1.730 1.00 29.16 O ATOM 799 CB MET A 55 -8.472 -36.569 2.427 1.00 26.86 C ATOM 800 CG MET A 55 -7.871 -35.862 3.630 1.00 30.79 C ATOM 801 SD MET A 55 -8.689 -36.296 5.184 1.00 32.22 S ATOM 802 CE MET A 55 -10.396 -35.961 4.761 1.00 29.95 C ATOM 803 HA MET A 55 -8.623 -38.488 3.437 1.00 0.00 H ATOM 804 HB2 MET A 55 -7.978 -36.199 1.529 1.00 0.00 H ATOM 805 HB3 MET A 55 -9.534 -36.327 2.382 1.00 0.00 H ATOM 806 HG2 MET A 55 -7.957 -34.786 3.480 1.00 0.00 H ATOM 807 HG3 MET A 55 -6.818 -36.134 3.703 1.00 0.00 H ATOM 808 HE1 MET A 55 -10.502 -34.911 4.487 1.00 0.00 H ATOM 809 HE2 MET A 55 -10.690 -36.588 3.920 1.00 0.00 H ATOM 810 HE3 MET A 55 -11.031 -36.180 5.619 1.00 0.00 H ATOM 811 H MET A 55 -6.241 -37.832 1.864 1.00 0.00 H ATOM 812 N ARG A 56 -8.770 -39.151 0.308 1.00 26.47 N ATOM 813 CA ARG A 56 -9.635 -39.747 -0.707 1.00 31.30 C ATOM 814 C ARG A 56 -10.402 -40.954 -0.154 1.00 34.38 C ATOM 815 O ARG A 56 -11.471 -41.300 -0.655 1.00 31.03 O ATOM 816 CB ARG A 56 -8.832 -40.148 -1.951 1.00 26.55 C ATOM 817 CG ARG A 56 -8.057 -41.445 -1.800 1.00 31.70 C ATOM 818 CD ARG A 56 -7.029 -41.595 -2.924 1.00 31.90 C ATOM 819 NE ARG A 56 -7.646 -41.650 -4.252 1.00 33.46 N ATOM 820 HA ARG A 56 -10.363 -38.989 -0.996 1.00 0.00 H ATOM 821 HB2 ARG A 56 -9.525 -40.259 -2.785 1.00 0.00 H ATOM 822 HB3 ARG A 56 -8.124 -39.350 -2.173 1.00 0.00 H ATOM 823 HG2 ARG A 56 -7.541 -41.444 -0.840 1.00 0.00 H ATOM 824 HG3 ARG A 56 -8.752 -42.284 -1.836 1.00 0.00 H ATOM 825 HD2 ARG A 56 -6.467 -42.515 -2.762 1.00 0.00 H ATOM 826 HD3 ARG A 56 -6.349 -40.744 -2.890 1.00 0.00 H ATOM 827 HE ARG A 56 -8.680 -41.588 -4.348 1.00 0.00 H ATOM 828 H ARG A 56 -7.750 -39.056 0.129 1.00 0.00 H ATOM 829 N LEU A 57 -9.865 -41.579 0.890 1.00 34.27 N ATOM 830 CA LEU A 57 -10.476 -42.793 1.437 1.00 35.33 C ATOM 831 C LEU A 57 -11.640 -42.505 2.393 1.00 38.25 C ATOM 832 O LEU A 57 -12.476 -43.377 2.654 1.00 40.09 O ATOM 833 CB LEU A 57 -9.414 -43.646 2.145 1.00 38.88 C ATOM 834 HA LEU A 57 -10.892 -43.341 0.591 1.00 0.00 H ATOM 835 HB2 LEU A 57 -8.639 -43.926 1.431 1.00 0.00 H ATOM 836 HB3 LEU A 57 -8.971 -43.071 2.958 1.00 0.00 H ATOM 837 H LEU A 57 -8.999 -41.201 1.324 1.00 0.00 H ATOM 838 N PHE A 58 -11.696 -41.276 2.898 1.00 33.51 N ATOM 839 CA PHE A 58 -12.637 -40.905 3.955 1.00 34.87 C ATOM 840 C PHE A 58 -14.134 -41.108 3.629 1.00 37.50 C ATOM 841 O PHE A 58 -14.854 -41.733 4.407 1.00 35.99 O ATOM 842 CB PHE A 58 -12.372 -39.462 4.402 1.00 36.62 C ATOM 843 CG PHE A 58 -13.515 -38.838 5.143 1.00 36.66 C ATOM 844 CD1 PHE A 58 -13.699 -39.086 6.486 1.00 35.71 C ATOM 845 CD2 PHE A 58 -14.411 -38.010 4.488 1.00 39.52 C ATOM 846 CE1 PHE A 58 -14.752 -38.511 7.171 1.00 35.87 C ATOM 847 CE2 PHE A 58 -15.466 -37.437 5.167 1.00 35.02 C ATOM 848 CZ PHE A 58 -15.631 -37.689 6.512 1.00 35.12 C ATOM 849 HA PHE A 58 -12.444 -41.607 4.766 1.00 0.00 H ATOM 850 HB2 PHE A 58 -11.498 -39.459 5.053 1.00 0.00 H ATOM 851 HB3 PHE A 58 -12.167 -38.860 3.517 1.00 0.00 H ATOM 852 HD2 PHE A 58 -14.281 -37.809 3.425 1.00 0.00 H ATOM 853 HE2 PHE A 58 -16.166 -36.787 4.642 1.00 0.00 H ATOM 854 HZ PHE A 58 -16.461 -37.235 7.053 1.00 0.00 H ATOM 855 HE1 PHE A 58 -14.884 -38.710 8.234 1.00 0.00 H ATOM 856 HD1 PHE A 58 -13.007 -39.742 7.013 1.00 0.00 H ATOM 857 H PHE A 58 -11.047 -40.552 2.528 1.00 0.00 H ATOM 858 N PRO A 59 -14.607 -40.563 2.492 1.00 36.40 N ATOM 859 CA PRO A 59 -16.032 -40.618 2.122 1.00 34.90 C ATOM 860 C PRO A 59 -16.615 -42.034 2.104 1.00 40.04 C ATOM 861 O PRO A 59 -17.803 -42.207 2.373 1.00 44.00 O ATOM 862 CB PRO A 59 -16.048 -40.039 0.706 1.00 37.13 C ATOM 863 CG PRO A 59 -14.853 -39.156 0.653 1.00 36.41 C ATOM 864 CD PRO A 59 -13.808 -39.829 1.496 1.00 37.21 C ATOM 865 HA PRO A 59 -16.641 -40.080 2.848 1.00 0.00 H ATOM 866 HD3 PRO A 59 -13.203 -40.511 0.899 1.00 0.00 H ATOM 867 HD2 PRO A 59 -13.160 -39.096 1.976 1.00 0.00 H ATOM 868 HG3 PRO A 59 -15.090 -38.172 1.056 1.00 0.00 H ATOM 869 HG2 PRO A 59 -14.503 -39.052 -0.374 1.00 0.00 H ATOM 870 HB2 PRO A 59 -15.974 -40.833 -0.037 1.00 0.00 H ATOM 871 HB3 PRO A 59 -16.959 -39.466 0.534 1.00 0.00 H ATOM 872 N GLU A 60 -15.807 -43.039 1.787 1.00 39.60 N ATOM 873 CA GLU A 60 -16.327 -44.403 1.772 1.00 45.78 C ATOM 874 C GLU A 60 -16.386 -44.999 3.179 1.00 42.91 C ATOM 875 O GLU A 60 -17.263 -45.810 3.477 1.00 47.91 O ATOM 876 CB GLU A 60 -15.518 -45.299 0.827 1.00 38.90 C ATOM 877 HA GLU A 60 -17.348 -44.355 1.393 1.00 0.00 H ATOM 878 HB2 GLU A 60 -15.569 -44.897 -0.185 1.00 0.00 H ATOM 879 HB3 GLU A 60 -14.479 -45.328 1.156 1.00 0.00 H ATOM 880 H GLU A 60 -14.811 -42.856 1.551 1.00 0.00 H ATOM 881 N TYR A 61 -15.470 -44.584 4.050 1.00 39.97 N ATOM 882 CA TYR A 61 -15.423 -45.123 5.413 1.00 39.62 C ATOM 883 C TYR A 61 -16.309 -44.383 6.415 1.00 39.81 C ATOM 884 O TYR A 61 -16.620 -44.918 7.478 1.00 44.16 O ATOM 885 CB TYR A 61 -13.981 -45.154 5.941 1.00 39.37 C ATOM 886 HA TYR A 61 -15.821 -46.134 5.328 1.00 0.00 H ATOM 887 HB3 TYR A 61 -13.577 -44.142 5.950 1.00 0.00 H ATOM 888 HB2 TYR A 61 -13.372 -45.784 5.293 1.00 0.00 H ATOM 889 H TYR A 61 -14.776 -43.866 3.760 1.00 0.00 H ATOM 890 N MET A 62 -16.720 -43.162 6.086 1.00 35.92 N ATOM 891 CA MET A 62 -17.393 -42.329 7.077 1.00 36.07 C ATOM 892 C MET A 62 -18.176 -41.175 6.486 1.00 34.04 C ATOM 893 O MET A 62 -17.773 -40.571 5.491 1.00 33.93 O ATOM 894 CB MET A 62 -16.354 -41.776 8.065 1.00 35.10 C ATOM 895 CG MET A 62 -16.874 -40.694 9.005 1.00 35.76 C ATOM 896 SD MET A 62 -15.653 -40.267 10.283 1.00 49.82 S ATOM 897 CE MET A 62 -15.844 -41.692 11.355 1.00 36.79 C ATOM 898 HA MET A 62 -18.118 -42.973 7.575 1.00 0.00 H ATOM 899 HB2 MET A 62 -15.988 -42.605 8.671 1.00 0.00 H ATOM 900 HB3 MET A 62 -15.529 -41.357 7.489 1.00 0.00 H ATOM 901 HG2 MET A 62 -17.782 -41.054 9.490 1.00 0.00 H ATOM 902 HG3 MET A 62 -17.103 -39.801 8.423 1.00 0.00 H ATOM 903 HE1 MET A 62 -16.872 -41.739 11.715 1.00 0.00 H ATOM 904 HE2 MET A 62 -15.611 -42.599 10.797 1.00 0.00 H ATOM 905 HE3 MET A 62 -15.165 -41.601 12.203 1.00 0.00 H ATOM 906 H MET A 62 -16.562 -42.801 5.123 1.00 0.00 H ATOM 907 N THR A 63 -19.290 -40.866 7.136 1.00 30.26 N ATOM 908 CA THR A 63 -20.091 -39.687 6.831 1.00 29.95 C ATOM 909 C THR A 63 -19.987 -38.751 8.026 1.00 29.06 C ATOM 910 O THR A 63 -19.904 -39.215 9.164 1.00 30.11 O ATOM 911 CB THR A 63 -21.549 -40.084 6.629 1.00 33.03 C ATOM 912 OG1 THR A 63 -21.634 -40.916 5.464 1.00 39.77 O ATOM 913 CG2 THR A 63 -22.430 -38.850 6.447 1.00 34.80 C ATOM 914 HA THR A 63 -19.733 -39.207 5.920 1.00 0.00 H ATOM 915 HB THR A 63 -21.902 -40.622 7.509 1.00 0.00 H ATOM 916 HG1 THR A 63 -22.576 -41.183 5.319 1.00 0.00 H ATOM 917 HG23 THR A 63 -22.361 -38.222 7.335 1.00 0.00 H ATOM 918 HG21 THR A 63 -22.091 -38.289 5.576 1.00 0.00 H ATOM 919 HG22 THR A 63 -23.464 -39.162 6.300 1.00 0.00 H ATOM 920 H THR A 63 -19.607 -41.496 7.901 1.00 0.00 H ATOM 921 N ILE A 64 -19.983 -37.445 7.784 1.00 23.86 N ATOM 922 CA ILE A 64 -19.790 -36.503 8.879 1.00 24.93 C ATOM 923 C ILE A 64 -20.648 -35.230 8.742 1.00 26.43 C ATOM 924 O ILE A 64 -21.000 -34.804 7.627 1.00 25.35 O ATOM 925 CB ILE A 64 -18.267 -36.187 9.059 1.00 25.87 C ATOM 926 CG1 ILE A 64 -17.988 -35.509 10.403 1.00 21.57 C ATOM 927 CG2 ILE A 64 -17.725 -35.378 7.877 1.00 23.21 C ATOM 928 CD1 ILE A 64 -16.520 -35.605 10.822 1.00 25.26 C ATOM 929 HA ILE A 64 -20.146 -36.982 9.791 1.00 0.00 H ATOM 930 HB ILE A 64 -17.729 -37.135 9.070 1.00 0.00 H ATOM 931 HG12 ILE A 64 -18.260 -34.456 10.326 1.00 0.00 H ATOM 932 HG13 ILE A 64 -18.601 -35.986 11.168 1.00 0.00 H ATOM 933 HD11 ILE A 64 -16.237 -36.654 10.912 1.00 0.00 H ATOM 934 HD12 ILE A 64 -15.896 -35.123 10.069 1.00 0.00 H ATOM 935 HD13 ILE A 64 -16.384 -35.107 11.782 1.00 0.00 H ATOM 936 HG21 ILE A 64 -17.856 -35.948 6.957 1.00 0.00 H ATOM 937 HG22 ILE A 64 -18.269 -34.437 7.803 1.00 0.00 H ATOM 938 HG23 ILE A 64 -16.665 -35.175 8.033 1.00 0.00 H ATOM 939 H ILE A 64 -20.117 -37.095 6.814 1.00 0.00 H ATOM 940 N ARG A 65 -21.028 -34.656 9.879 1.00 22.26 N ATOM 941 CA ARG A 65 -21.648 -33.333 9.877 1.00 24.80 C ATOM 942 C ARG A 65 -20.987 -32.515 10.970 1.00 23.41 C ATOM 943 O ARG A 65 -20.474 -33.073 11.947 1.00 22.69 O ATOM 944 CB ARG A 65 -23.183 -33.405 10.059 1.00 23.37 C ATOM 945 CG ARG A 65 -23.659 -33.884 11.449 1.00 22.85 C ATOM 946 CD ARG A 65 -23.895 -32.704 12.378 1.00 24.05 C ATOM 947 NE ARG A 65 -24.296 -33.092 13.734 1.00 19.48 N ATOM 948 CZ ARG A 65 -25.556 -33.271 14.127 1.00 26.56 C ATOM 949 NH1 ARG A 65 -25.812 -33.606 15.387 1.00 23.84 N ATOM 950 NH2 ARG A 65 -26.557 -33.126 13.263 1.00 22.91 N ATOM 951 HA ARG A 65 -21.496 -32.857 8.908 1.00 0.00 H ATOM 952 HB2 ARG A 65 -23.590 -32.409 9.888 1.00 0.00 H ATOM 953 HB3 ARG A 65 -23.580 -34.092 9.311 1.00 0.00 H ATOM 954 HG2 ARG A 65 -24.589 -34.441 11.336 1.00 0.00 H ATOM 955 HG3 ARG A 65 -22.899 -34.533 11.883 1.00 0.00 H ATOM 956 HD2 ARG A 65 -24.681 -32.082 11.951 1.00 0.00 H ATOM 957 HD3 ARG A 65 -22.972 -32.127 12.443 1.00 0.00 H ATOM 958 HE ARG A 65 -23.544 -33.238 14.438 1.00 0.00 H ATOM 959 HH12 ARG A 65 -26.794 -33.747 15.698 1.00 0.00 H ATOM 960 HH11 ARG A 65 -25.030 -33.727 16.062 1.00 0.00 H ATOM 961 HH22 ARG A 65 -27.539 -33.267 13.576 1.00 0.00 H ATOM 962 HH21 ARG A 65 -26.358 -32.872 12.274 1.00 0.00 H ATOM 963 H ARG A 65 -20.882 -35.154 10.780 1.00 0.00 H ATOM 964 N PHE A 66 -20.964 -31.199 10.793 1.00 23.90 N ATOM 965 CA PHE A 66 -20.312 -30.326 11.765 1.00 24.55 C ATOM 966 C PHE A 66 -21.337 -29.382 12.349 1.00 25.25 C ATOM 967 O PHE A 66 -22.394 -29.159 11.749 1.00 26.84 O ATOM 968 CB PHE A 66 -19.167 -29.543 11.104 1.00 19.88 C ATOM 969 CG PHE A 66 -18.101 -30.425 10.517 1.00 21.51 C ATOM 970 CD1 PHE A 66 -17.156 -31.042 11.337 1.00 21.35 C ATOM 971 CD2 PHE A 66 -18.053 -30.667 9.154 1.00 23.86 C ATOM 972 CE1 PHE A 66 -16.165 -31.871 10.797 1.00 22.04 C ATOM 973 CE2 PHE A 66 -17.067 -31.501 8.612 1.00 23.80 C ATOM 974 CZ PHE A 66 -16.125 -32.096 9.434 1.00 20.38 C ATOM 975 HA PHE A 66 -19.884 -30.931 12.565 1.00 0.00 H ATOM 976 HB2 PHE A 66 -19.584 -28.928 10.307 1.00 0.00 H ATOM 977 HB3 PHE A 66 -18.709 -28.900 11.856 1.00 0.00 H ATOM 978 HD2 PHE A 66 -18.789 -30.204 8.497 1.00 0.00 H ATOM 979 HE2 PHE A 66 -17.041 -31.683 7.538 1.00 0.00 H ATOM 980 HZ PHE A 66 -15.355 -32.739 9.008 1.00 0.00 H ATOM 981 HE1 PHE A 66 -15.427 -32.338 11.450 1.00 0.00 H ATOM 982 HD1 PHE A 66 -17.190 -30.876 12.414 1.00 0.00 H ATOM 983 H PHE A 66 -21.416 -30.785 9.952 1.00 0.00 H ATOM 984 N THR A 67 -21.034 -28.835 13.523 1.00 23.94 N ATOM 985 CA THR A 67 -21.923 -27.880 14.176 1.00 27.54 C ATOM 986 C THR A 67 -21.130 -26.971 15.118 1.00 29.82 C ATOM 987 O THR A 67 -19.947 -27.210 15.359 1.00 24.46 O ATOM 988 CB THR A 67 -23.065 -28.598 14.956 1.00 33.31 C ATOM 989 OG1 THR A 67 -22.530 -29.286 16.103 1.00 32.31 O ATOM 990 HA THR A 67 -22.383 -27.272 13.397 1.00 0.00 H ATOM 991 HB THR A 67 -23.552 -29.318 14.299 1.00 0.00 H ATOM 992 HG1 THR A 67 -23.265 -29.737 16.589 1.00 0.00 H ATOM 993 H THR A 67 -20.140 -29.095 13.987 1.00 0.00 H ATOM 994 N ASP A 68 -21.773 -25.918 15.619 1.00 26.61 N ATOM 995 CA ASP A 68 -21.176 -25.073 16.666 1.00 30.42 C ATOM 996 C ASP A 68 -19.874 -24.359 16.256 1.00 31.02 C ATOM 997 O ASP A 68 -18.965 -24.165 17.077 1.00 25.40 O ATOM 998 CB ASP A 68 -20.936 -25.915 17.933 1.00 26.97 C ATOM 999 HA ASP A 68 -21.897 -24.277 16.853 1.00 0.00 H ATOM 1000 HB2 ASP A 68 -21.886 -26.315 18.287 1.00 0.00 H ATOM 1001 HB3 ASP A 68 -20.259 -26.736 17.699 1.00 0.00 H ATOM 1002 H ASP A 68 -22.722 -25.687 15.261 1.00 0.00 H ATOM 1003 N VAL A 69 -19.781 -23.950 14.995 1.00 28.36 N ATOM 1004 CA VAL A 69 -18.562 -23.294 14.515 1.00 30.61 C ATOM 1005 C VAL A 69 -18.399 -21.901 15.130 1.00 30.28 C ATOM 1006 O VAL A 69 -19.228 -21.029 14.907 1.00 36.06 O ATOM 1007 CB VAL A 69 -18.549 -23.185 12.979 1.00 31.34 C ATOM 1008 CG1 VAL A 69 -17.256 -22.521 12.505 1.00 29.01 C ATOM 1009 CG2 VAL A 69 -18.689 -24.561 12.360 1.00 30.16 C ATOM 1010 HA VAL A 69 -17.724 -23.916 14.828 1.00 0.00 H ATOM 1011 HB VAL A 69 -19.391 -22.569 12.664 1.00 0.00 H ATOM 1012 HG11 VAL A 69 -17.184 -21.522 12.934 1.00 0.00 H ATOM 1013 HG12 VAL A 69 -16.403 -23.118 12.827 1.00 0.00 H ATOM 1014 HG13 VAL A 69 -17.262 -22.451 11.417 1.00 0.00 H ATOM 1015 HG21 VAL A 69 -17.859 -25.189 12.682 1.00 0.00 H ATOM 1016 HG22 VAL A 69 -19.630 -25.008 12.680 1.00 0.00 H ATOM 1017 HG23 VAL A 69 -18.679 -24.472 11.274 1.00 0.00 H ATOM 1018 H VAL A 69 -20.579 -24.097 14.344 1.00 0.00 H ATOM 1019 N GLN A 70 -17.324 -21.697 15.887 1.00 29.49 N ATOM 1020 CA GLN A 70 -17.074 -20.431 16.568 1.00 23.86 C ATOM 1021 C GLN A 70 -15.624 -19.985 16.358 1.00 28.75 C ATOM 1022 O GLN A 70 -14.694 -20.768 16.548 1.00 27.35 O ATOM 1023 CB GLN A 70 -17.352 -20.587 18.075 1.00 23.93 C ATOM 1024 HA GLN A 70 -17.738 -19.675 16.150 1.00 0.00 H ATOM 1025 HB2 GLN A 70 -18.392 -20.878 18.223 1.00 0.00 H ATOM 1026 HB3 GLN A 70 -16.696 -21.354 18.487 1.00 0.00 H ATOM 1027 H GLN A 70 -16.636 -22.469 15.997 1.00 0.00 H ATOM 1028 N PHE A 71 -15.421 -18.732 15.979 1.00 21.88 N ATOM 1029 CA PHE A 71 -14.061 -18.252 15.722 1.00 25.46 C ATOM 1030 C PHE A 71 -13.586 -17.275 16.797 1.00 29.54 C ATOM 1031 O PHE A 71 -14.383 -16.501 17.332 1.00 25.22 O ATOM 1032 CB PHE A 71 -13.966 -17.606 14.341 1.00 19.91 C ATOM 1033 CG PHE A 71 -14.130 -18.579 13.217 1.00 25.63 C ATOM 1034 CD1 PHE A 71 -13.073 -19.399 12.841 1.00 23.61 C ATOM 1035 CD2 PHE A 71 -15.344 -18.693 12.545 1.00 26.64 C ATOM 1036 CE1 PHE A 71 -13.221 -20.311 11.802 1.00 28.97 C ATOM 1037 CE2 PHE A 71 -15.500 -19.602 11.503 1.00 26.98 C ATOM 1038 CZ PHE A 71 -14.442 -20.408 11.131 1.00 30.95 C ATOM 1039 HA PHE A 71 -13.404 -19.121 15.752 1.00 0.00 H ATOM 1040 HB2 PHE A 71 -14.746 -16.849 14.259 1.00 0.00 H ATOM 1041 HB3 PHE A 71 -12.989 -17.132 14.248 1.00 0.00 H ATOM 1042 HD2 PHE A 71 -16.183 -18.062 12.839 1.00 0.00 H ATOM 1043 HE2 PHE A 71 -16.454 -19.678 10.982 1.00 0.00 H ATOM 1044 HZ PHE A 71 -14.560 -21.120 10.314 1.00 0.00 H ATOM 1045 HE1 PHE A 71 -12.386 -20.949 11.512 1.00 0.00 H ATOM 1046 HD1 PHE A 71 -12.120 -19.327 13.365 1.00 0.00 H ATOM 1047 H PHE A 71 -16.229 -18.088 15.864 1.00 0.00 H ATOM 1048 N TYR A 72 -12.296 -17.320 17.122 1.00 25.36 N ATOM 1049 CA TYR A 72 -11.713 -16.279 17.958 1.00 27.66 C ATOM 1050 C TYR A 72 -11.276 -15.149 17.027 1.00 29.80 C ATOM 1051 O TYR A 72 -10.908 -15.405 15.887 1.00 31.94 O ATOM 1052 CB TYR A 72 -10.535 -16.827 18.765 1.00 24.51 C ATOM 1053 CG TYR A 72 -10.927 -17.930 19.729 1.00 25.48 C ATOM 1054 CD1 TYR A 72 -11.562 -17.633 20.924 1.00 25.89 C ATOM 1055 CD2 TYR A 72 -10.657 -19.264 19.441 1.00 23.58 C ATOM 1056 CE1 TYR A 72 -11.918 -18.636 21.816 1.00 31.20 C ATOM 1057 CE2 TYR A 72 -11.002 -20.271 20.325 1.00 24.97 C ATOM 1058 CZ TYR A 72 -11.634 -19.951 21.508 1.00 28.80 C ATOM 1059 OH TYR A 72 -11.988 -20.944 22.389 1.00 28.81 O ATOM 1060 HA TYR A 72 -12.439 -15.910 18.683 1.00 0.00 H ATOM 1061 HB3 TYR A 72 -10.096 -16.009 19.336 1.00 0.00 H ATOM 1062 HB2 TYR A 72 -9.794 -17.222 18.070 1.00 0.00 H ATOM 1063 HD2 TYR A 72 -10.165 -19.520 18.503 1.00 0.00 H ATOM 1064 HE2 TYR A 72 -10.776 -21.311 20.088 1.00 0.00 H ATOM 1065 HE1 TYR A 72 -12.418 -18.387 22.752 1.00 0.00 H ATOM 1066 HD1 TYR A 72 -11.786 -16.595 21.168 1.00 0.00 H ATOM 1067 HH TYR A 72 -12.613 -21.570 21.945 1.00 0.00 H ATOM 1068 H TYR A 72 -11.702 -18.101 16.778 1.00 0.00 H ATOM 1069 N GLU A 73 -11.321 -13.902 17.488 1.00 28.82 N ATOM 1070 CA GLU A 73 -11.018 -12.788 16.591 1.00 29.44 C ATOM 1071 C GLU A 73 -9.509 -12.563 16.445 1.00 32.33 C ATOM 1072 O GLU A 73 -8.829 -12.205 17.405 1.00 36.48 O ATOM 1073 CB GLU A 73 -11.717 -11.506 17.065 1.00 34.77 C ATOM 1074 HA GLU A 73 -11.402 -13.050 15.605 1.00 0.00 H ATOM 1075 HB2 GLU A 73 -12.795 -11.665 17.079 1.00 0.00 H ATOM 1076 HB3 GLU A 73 -11.373 -11.256 18.068 1.00 0.00 H ATOM 1077 H GLU A 73 -11.570 -13.721 18.481 1.00 0.00 H ATOM 1078 N THR A 74 -8.996 -12.773 15.236 1.00 30.78 N ATOM 1079 CA THR A 74 -7.582 -12.552 14.938 1.00 33.50 C ATOM 1080 C THR A 74 -7.329 -11.178 14.337 1.00 33.46 C ATOM 1081 O THR A 74 -8.255 -10.481 13.939 1.00 37.25 O ATOM 1082 CB THR A 74 -7.069 -13.571 13.919 1.00 35.31 C ATOM 1083 OG1 THR A 74 -7.869 -13.488 12.727 1.00 35.59 O ATOM 1084 CG2 THR A 74 -7.135 -14.979 14.490 1.00 31.33 C ATOM 1085 HA THR A 74 -7.064 -12.648 15.892 1.00 0.00 H ATOM 1086 HB THR A 74 -6.029 -13.346 13.682 1.00 0.00 H ATOM 1087 HG1 THR A 74 -7.541 -14.146 12.064 1.00 0.00 H ATOM 1088 HG23 THR A 74 -6.526 -15.033 15.393 1.00 0.00 H ATOM 1089 HG21 THR A 74 -8.169 -15.223 14.733 1.00 0.00 H ATOM 1090 HG22 THR A 74 -6.757 -15.687 13.752 1.00 0.00 H ATOM 1091 H THR A 74 -9.623 -13.106 14.476 1.00 0.00 H ATOM 1092 N ALA A 75 -6.058 -10.806 14.257 1.00 34.33 N ATOM 1093 CA ALA A 75 -5.660 -9.549 13.643 1.00 35.18 C ATOM 1094 C ALA A 75 -5.665 -9.641 12.115 1.00 41.64 C ATOM 1095 O ALA A 75 -6.156 -8.737 11.430 1.00 40.83 O ATOM 1096 CB ALA A 75 -4.282 -9.139 14.138 1.00 33.71 C ATOM 1097 HA ALA A 75 -6.388 -8.791 13.933 1.00 0.00 H ATOM 1098 HB1 ALA A 75 -4.308 -9.017 15.221 1.00 0.00 H ATOM 1099 HB2 ALA A 75 -3.559 -9.911 13.876 1.00 0.00 H ATOM 1100 HB3 ALA A 75 -3.995 -8.197 13.671 1.00 0.00 H ATOM 1101 H ALA A 75 -5.324 -11.432 14.645 1.00 0.00 H ATOM 1102 N ASP A 76 -5.107 -10.728 11.589 1.00 33.85 N ATOM 1103 CA ASP A 76 -4.986 -10.913 10.150 1.00 34.13 C ATOM 1104 C ASP A 76 -6.072 -11.840 9.616 1.00 30.41 C ATOM 1105 O ASP A 76 -6.272 -12.948 10.131 1.00 29.82 O ATOM 1106 CB ASP A 76 -3.597 -11.464 9.790 1.00 35.12 C ATOM 1107 HA ASP A 76 -5.112 -9.937 9.681 1.00 0.00 H ATOM 1108 HB2 ASP A 76 -2.832 -10.762 10.122 1.00 0.00 H ATOM 1109 HB3 ASP A 76 -3.449 -12.425 10.284 1.00 0.00 H ATOM 1110 H ASP A 76 -4.746 -11.468 12.225 1.00 0.00 H ATOM 1111 N PRO A 77 -6.781 -11.387 8.575 1.00 33.13 N ATOM 1112 CA PRO A 77 -7.840 -12.166 7.920 1.00 31.72 C ATOM 1113 C PRO A 77 -7.375 -13.510 7.317 1.00 28.90 C ATOM 1114 O PRO A 77 -8.228 -14.361 7.064 1.00 27.12 O ATOM 1115 CB PRO A 77 -8.325 -11.228 6.798 1.00 35.83 C ATOM 1116 CG PRO A 77 -7.210 -10.234 6.607 1.00 38.42 C ATOM 1117 CD PRO A 77 -6.623 -10.048 7.974 1.00 32.75 C ATOM 1118 HA PRO A 77 -8.601 -12.456 8.644 1.00 0.00 H ATOM 1119 HD3 PRO A 77 -5.572 -9.763 7.916 1.00 0.00 H ATOM 1120 HD2 PRO A 77 -7.172 -9.295 8.539 1.00 0.00 H ATOM 1121 HG3 PRO A 77 -7.598 -9.290 6.224 1.00 0.00 H ATOM 1122 HG2 PRO A 77 -6.461 -10.624 5.917 1.00 0.00 H ATOM 1123 HB2 PRO A 77 -8.500 -11.788 5.880 1.00 0.00 H ATOM 1124 HB3 PRO A 77 -9.244 -10.721 7.093 1.00 0.00 H ATOM 1125 N ASP A 78 -6.073 -13.687 7.100 1.00 25.73 N ATOM 1126 CA ASP A 78 -5.526 -14.909 6.485 1.00 24.90 C ATOM 1127 C ASP A 78 -5.188 -15.968 7.543 1.00 23.41 C ATOM 1128 O ASP A 78 -4.602 -17.013 7.251 1.00 23.03 O ATOM 1129 CB ASP A 78 -4.273 -14.585 5.682 1.00 27.48 C ATOM 1130 HA ASP A 78 -6.293 -15.311 5.823 1.00 0.00 H ATOM 1131 HB2 ASP A 78 -4.521 -13.872 4.896 1.00 0.00 H ATOM 1132 HB3 ASP A 78 -3.521 -14.153 6.342 1.00 0.00 H ATOM 1133 H ASP A 78 -5.415 -12.931 7.376 1.00 0.00 H ATOM 1134 N LEU A 79 -5.541 -15.666 8.780 1.00 21.19 N ATOM 1135 CA LEU A 79 -5.444 -16.630 9.863 1.00 24.83 C ATOM 1136 C LEU A 79 -6.828 -16.763 10.466 1.00 22.01 C ATOM 1137 O LEU A 79 -7.484 -15.756 10.740 1.00 22.36 O ATOM 1138 CB LEU A 79 -4.466 -16.137 10.934 1.00 21.72 C ATOM 1139 CG LEU A 79 -4.462 -16.902 12.263 1.00 28.22 C ATOM 1140 CD1 LEU A 79 -3.813 -18.268 12.078 1.00 22.06 C ATOM 1141 CD2 LEU A 79 -3.729 -16.103 13.351 1.00 24.54 C ATOM 1142 HA LEU A 79 -5.080 -17.587 9.488 1.00 0.00 H ATOM 1143 HB2 LEU A 79 -3.461 -16.194 10.516 1.00 0.00 H ATOM 1144 HB3 LEU A 79 -4.709 -15.097 11.151 1.00 0.00 H ATOM 1145 HG LEU A 79 -5.494 -17.042 12.584 1.00 0.00 H ATOM 1146 HD21 LEU A 79 -2.698 -15.931 13.041 1.00 0.00 H ATOM 1147 HD22 LEU A 79 -4.230 -15.146 13.497 1.00 0.00 H ATOM 1148 HD23 LEU A 79 -3.740 -16.667 14.284 1.00 0.00 H ATOM 1149 HD11 LEU A 79 -4.374 -18.838 11.338 1.00 0.00 H ATOM 1150 HD12 LEU A 79 -2.786 -18.138 11.736 1.00 0.00 H ATOM 1151 HD13 LEU A 79 -3.816 -18.802 13.028 1.00 0.00 H ATOM 1152 H LEU A 79 -5.899 -14.711 8.984 1.00 0.00 H ATOM 1153 N ALA A 80 -7.276 -18.000 10.661 1.00 20.94 N ATOM 1154 CA ALA A 80 -8.503 -18.248 11.417 1.00 21.25 C ATOM 1155 C ALA A 80 -8.239 -19.295 12.489 1.00 23.31 C ATOM 1156 O ALA A 80 -7.530 -20.287 12.255 1.00 19.42 O ATOM 1157 CB ALA A 80 -9.617 -18.710 10.512 1.00 18.93 C ATOM 1158 HA ALA A 80 -8.813 -17.313 11.884 1.00 0.00 H ATOM 1159 HB1 ALA A 80 -9.818 -17.943 9.764 1.00 0.00 H ATOM 1160 HB2 ALA A 80 -9.321 -19.634 10.016 1.00 0.00 H ATOM 1161 HB3 ALA A 80 -10.515 -18.886 11.104 1.00 0.00 H ATOM 1162 H ALA A 80 -6.745 -18.804 10.269 1.00 0.00 H ATOM 1163 N ILE A 81 -8.802 -19.057 13.670 1.00 19.23 N ATOM 1164 CA ILE A 81 -8.708 -19.995 14.765 1.00 20.57 C ATOM 1165 C ILE A 81 -10.137 -20.181 15.255 1.00 22.25 C ATOM 1166 O ILE A 81 -10.788 -19.222 15.663 1.00 23.32 O ATOM 1167 CB ILE A 81 -7.815 -19.448 15.886 1.00 19.93 C ATOM 1168 CG1 ILE A 81 -6.406 -19.175 15.361 1.00 22.27 C ATOM 1169 CG2 ILE A 81 -7.764 -20.425 17.067 1.00 22.65 C ATOM 1170 CD1 ILE A 81 -5.439 -18.782 16.451 1.00 24.80 C ATOM 1171 HA ILE A 81 -8.258 -20.937 14.451 1.00 0.00 H ATOM 1172 HB ILE A 81 -8.245 -18.510 16.236 1.00 0.00 H ATOM 1173 HG12 ILE A 81 -6.035 -20.077 14.875 1.00 0.00 H ATOM 1174 HG13 ILE A 81 -6.457 -18.366 14.632 1.00 0.00 H ATOM 1175 HD11 ILE A 81 -5.794 -17.874 16.940 1.00 0.00 H ATOM 1176 HD12 ILE A 81 -5.371 -19.587 17.182 1.00 0.00 H ATOM 1177 HD13 ILE A 81 -4.456 -18.601 16.015 1.00 0.00 H ATOM 1178 HG21 ILE A 81 -8.770 -20.572 17.459 1.00 0.00 H ATOM 1179 HG22 ILE A 81 -7.361 -21.380 16.730 1.00 0.00 H ATOM 1180 HG23 ILE A 81 -7.125 -20.015 17.849 1.00 0.00 H ATOM 1181 H ILE A 81 -9.326 -18.169 13.810 1.00 0.00 H ATOM 1182 N GLY A 82 -10.642 -21.403 15.168 1.00 24.86 N ATOM 1183 CA GLY A 82 -12.027 -21.647 15.516 1.00 25.96 C ATOM 1184 C GLY A 82 -12.215 -22.998 16.150 1.00 20.61 C ATOM 1185 O GLY A 82 -11.435 -23.916 15.926 1.00 25.23 O ATOM 1186 HA3 GLY A 82 -12.633 -21.594 14.611 1.00 0.00 H ATOM 1187 HA2 GLY A 82 -12.355 -20.879 16.217 1.00 0.00 H ATOM 1188 H GLY A 82 -10.042 -22.190 14.849 1.00 0.00 H ATOM 1189 N GLU A 83 -13.249 -23.125 16.963 1.00 21.16 N ATOM 1190 CA GLU A 83 -13.608 -24.424 17.484 1.00 22.57 C ATOM 1191 C GLU A 83 -14.892 -24.847 16.797 1.00 22.45 C ATOM 1192 O GLU A 83 -15.663 -23.995 16.354 1.00 23.76 O ATOM 1193 CB GLU A 83 -13.786 -24.366 19.007 1.00 22.88 C ATOM 1194 CG GLU A 83 -12.507 -24.003 19.755 1.00 22.42 C ATOM 1195 CD GLU A 83 -12.629 -24.218 21.259 1.00 27.25 C ATOM 1196 OE1 GLU A 83 -13.289 -25.205 21.691 1.00 24.35 O ATOM 1197 OE2 GLU A 83 -12.057 -23.404 22.017 1.00 23.47 O ATOM 1198 HA GLU A 83 -12.820 -25.150 17.286 1.00 0.00 H ATOM 1199 HB2 GLU A 83 -14.545 -23.619 19.238 1.00 0.00 H ATOM 1200 HB3 GLU A 83 -14.123 -25.343 19.353 1.00 0.00 H ATOM 1201 HG2 GLU A 83 -11.693 -24.623 19.378 1.00 0.00 H ATOM 1202 HG3 GLU A 83 -12.279 -22.953 19.569 1.00 0.00 H ATOM 1203 H GLU A 83 -13.806 -22.288 17.229 1.00 0.00 H ATOM 1204 N PHE A 84 -15.102 -26.156 16.685 1.00 21.37 N ATOM 1205 CA PHE A 84 -16.353 -26.697 16.169 1.00 25.03 C ATOM 1206 C PHE A 84 -16.480 -28.159 16.561 1.00 21.81 C ATOM 1207 O PHE A 84 -15.560 -28.738 17.135 1.00 20.07 O ATOM 1208 CB PHE A 84 -16.440 -26.534 14.650 1.00 21.15 C ATOM 1209 CG PHE A 84 -15.231 -27.076 13.901 1.00 22.57 C ATOM 1210 CD1 PHE A 84 -14.082 -26.296 13.732 1.00 20.37 C ATOM 1211 CD2 PHE A 84 -15.258 -28.349 13.348 1.00 18.47 C ATOM 1212 CE1 PHE A 84 -12.981 -26.787 13.035 1.00 20.91 C ATOM 1213 CE2 PHE A 84 -14.161 -28.849 12.649 1.00 22.22 C ATOM 1214 CZ PHE A 84 -13.017 -28.074 12.499 1.00 19.31 C ATOM 1215 HA PHE A 84 -17.180 -26.139 16.607 1.00 0.00 H ATOM 1216 HB2 PHE A 84 -17.327 -27.061 14.298 1.00 0.00 H ATOM 1217 HB3 PHE A 84 -16.537 -25.472 14.424 1.00 0.00 H ATOM 1218 HD2 PHE A 84 -16.149 -28.966 13.462 1.00 0.00 H ATOM 1219 HE2 PHE A 84 -14.200 -29.850 12.219 1.00 0.00 H ATOM 1220 HZ PHE A 84 -12.153 -28.470 11.965 1.00 0.00 H ATOM 1221 HE1 PHE A 84 -12.093 -26.167 12.909 1.00 0.00 H ATOM 1222 HD1 PHE A 84 -14.048 -25.291 14.152 1.00 0.00 H ATOM 1223 H PHE A 84 -14.350 -26.814 16.975 1.00 0.00 H ATOM 1224 N HIS A 85 -17.621 -28.752 16.244 1.00 22.20 N ATOM 1225 CA HIS A 85 -17.906 -30.118 16.640 1.00 23.87 C ATOM 1226 C HIS A 85 -18.217 -30.943 15.411 1.00 21.01 C ATOM 1227 O HIS A 85 -18.895 -30.470 14.507 1.00 23.00 O ATOM 1228 CB HIS A 85 -19.104 -30.129 17.597 1.00 20.85 C ATOM 1229 CG HIS A 85 -19.524 -31.499 18.029 1.00 22.84 C ATOM 1230 ND1 HIS A 85 -19.003 -32.120 19.143 1.00 26.49 N ATOM 1231 CD2 HIS A 85 -20.421 -32.364 17.497 1.00 26.22 C ATOM 1232 CE1 HIS A 85 -19.559 -33.313 19.279 1.00 31.28 C ATOM 1233 NE2 HIS A 85 -20.423 -33.484 18.295 1.00 30.79 N ATOM 1234 HA HIS A 85 -17.040 -30.544 17.146 1.00 0.00 H ATOM 1235 HB2 HIS A 85 -18.839 -29.555 18.485 1.00 0.00 H ATOM 1236 HB3 HIS A 85 -19.947 -29.653 17.097 1.00 0.00 H ATOM 1237 HD2 HIS A 85 -21.027 -32.203 16.605 1.00 0.00 H ATOM 1238 HE1 HIS A 85 -19.341 -34.032 20.069 1.00 0.00 H ATOM 1239 H HIS A 85 -18.331 -28.225 15.697 1.00 0.00 H ATOM 1240 N GLY A 86 -17.720 -32.174 15.377 1.00 20.87 N ATOM 1241 CA GLY A 86 -17.985 -33.067 14.269 1.00 20.62 C ATOM 1242 C GLY A 86 -18.636 -34.344 14.763 1.00 24.40 C ATOM 1243 O GLY A 86 -18.293 -34.853 15.834 1.00 24.30 O ATOM 1244 HA3 GLY A 86 -17.046 -33.311 13.772 1.00 0.00 H ATOM 1245 HA2 GLY A 86 -18.652 -32.574 13.562 1.00 0.00 H ATOM 1246 H GLY A 86 -17.127 -32.504 16.165 1.00 0.00 H ATOM 1247 N ASP A 87 -19.596 -34.852 13.994 1.00 23.16 N ATOM 1248 CA ASP A 87 -20.265 -36.112 14.309 1.00 24.66 C ATOM 1249 C ASP A 87 -20.157 -37.043 13.115 1.00 25.98 C ATOM 1250 O ASP A 87 -20.828 -36.850 12.102 1.00 22.13 O ATOM 1251 CB ASP A 87 -21.737 -35.878 14.651 1.00 21.93 C ATOM 1252 CG ASP A 87 -21.913 -35.034 15.887 1.00 28.44 C ATOM 1253 OD1 ASP A 87 -21.604 -35.541 16.992 1.00 30.64 O ATOM 1254 OD2 ASP A 87 -22.364 -33.865 15.758 1.00 28.74 O ATOM 1255 HA ASP A 87 -19.782 -36.560 15.177 1.00 0.00 H ATOM 1256 HB2 ASP A 87 -22.216 -35.374 13.812 1.00 0.00 H ATOM 1257 HB3 ASP A 87 -22.216 -36.843 14.815 1.00 0.00 H ATOM 1258 H ASP A 87 -19.880 -34.334 13.138 1.00 0.00 H ATOM 1259 N GLY A 88 -19.303 -38.050 13.232 1.00 24.02 N ATOM 1260 CA GLY A 88 -19.058 -38.944 12.118 1.00 26.85 C ATOM 1261 C GLY A 88 -19.710 -40.292 12.344 1.00 28.91 C ATOM 1262 O GLY A 88 -19.885 -40.720 13.479 1.00 29.20 O ATOM 1263 HA3 GLY A 88 -17.983 -39.083 12.003 1.00 0.00 H ATOM 1264 HA2 GLY A 88 -19.464 -38.500 11.209 1.00 0.00 H ATOM 1265 H GLY A 88 -18.804 -38.200 14.132 1.00 0.00 H ATOM 1266 N VAL A 89 -20.071 -40.959 11.257 1.00 30.83 N ATOM 1267 CA VAL A 89 -20.616 -42.301 11.340 1.00 33.81 C ATOM 1268 C VAL A 89 -19.785 -43.214 10.461 1.00 35.86 C ATOM 1269 O VAL A 89 -19.623 -42.952 9.260 1.00 35.31 O ATOM 1270 CB VAL A 89 -22.072 -42.337 10.858 1.00 33.40 C ATOM 1271 CG1 VAL A 89 -22.669 -43.732 11.054 1.00 36.66 C ATOM 1272 CG2 VAL A 89 -22.887 -41.292 11.594 1.00 32.59 C ATOM 1273 HA VAL A 89 -20.589 -42.628 12.380 1.00 0.00 H ATOM 1274 HB VAL A 89 -22.096 -42.109 9.792 1.00 0.00 H ATOM 1275 HG11 VAL A 89 -22.089 -44.457 10.483 1.00 0.00 H ATOM 1276 HG12 VAL A 89 -22.640 -43.993 12.112 1.00 0.00 H ATOM 1277 HG13 VAL A 89 -23.702 -43.736 10.706 1.00 0.00 H ATOM 1278 HG21 VAL A 89 -22.857 -41.497 12.664 1.00 0.00 H ATOM 1279 HG22 VAL A 89 -22.469 -40.304 11.401 1.00 0.00 H ATOM 1280 HG23 VAL A 89 -23.919 -41.326 11.245 1.00 0.00 H ATOM 1281 H VAL A 89 -19.961 -40.511 10.325 1.00 0.00 H ATOM 1282 N HIS A 90 -19.237 -44.270 11.061 1.00 38.38 N ATOM 1283 CA HIS A 90 -18.523 -45.290 10.300 1.00 37.12 C ATOM 1284 C HIS A 90 -19.531 -46.031 9.437 1.00 43.81 C ATOM 1285 O HIS A 90 -20.516 -46.568 9.947 1.00 43.28 O ATOM 1286 CB HIS A 90 -17.816 -46.265 11.236 1.00 41.21 C ATOM 1287 HA HIS A 90 -17.764 -44.819 9.675 1.00 0.00 H ATOM 1288 HB2 HIS A 90 -17.101 -45.721 11.853 1.00 0.00 H ATOM 1289 HB3 HIS A 90 -18.553 -46.752 11.875 1.00 0.00 H ATOM 1290 H HIS A 90 -19.320 -44.369 12.093 1.00 0.00 H ATOM 1291 N THR A 91 -19.297 -46.053 8.129 1.00 43.24 N ATOM 1292 CA THR A 91 -20.237 -46.695 7.213 1.00 50.39 C ATOM 1293 C THR A 91 -20.487 -48.169 7.572 1.00 51.12 C ATOM 1294 O THR A 91 -21.632 -48.572 7.780 1.00 51.43 O ATOM 1295 CB THR A 91 -19.792 -46.557 5.737 1.00 47.48 C ATOM 1296 HA THR A 91 -21.183 -46.165 7.328 1.00 0.00 H ATOM 1297 HB THR A 91 -19.728 -45.501 5.475 1.00 0.00 H ATOM 1298 H THR A 91 -18.435 -45.608 7.753 1.00 0.00 H ATOM 1299 N VAL A 92 -19.423 -48.965 7.660 1.00 50.63 N ATOM 1300 CA VAL A 92 -19.568 -50.397 7.953 1.00 54.61 C ATOM 1301 C VAL A 92 -20.020 -50.660 9.389 1.00 51.65 C ATOM 1302 O VAL A 92 -21.079 -51.246 9.624 1.00 52.12 O ATOM 1303 CB VAL A 92 -18.255 -51.167 7.703 1.00 57.71 C ATOM 1304 HA VAL A 92 -20.339 -50.755 7.271 1.00 0.00 H ATOM 1305 HB VAL A 92 -17.965 -51.058 6.658 1.00 0.00 H ATOM 1306 H VAL A 92 -18.473 -48.566 7.519 1.00 0.00 H ATOM 1307 N SER A 93 -19.203 -50.222 10.341 1.00 48.50 N ATOM 1308 CA SER A 93 -19.472 -50.415 11.761 1.00 51.98 C ATOM 1309 C SER A 93 -20.851 -49.916 12.200 1.00 48.84 C ATOM 1310 O SER A 93 -21.568 -50.608 12.920 1.00 50.83 O ATOM 1311 CB SER A 93 -18.388 -49.709 12.597 1.00 45.58 C ATOM 1312 HA SER A 93 -19.457 -51.492 11.931 1.00 0.00 H ATOM 1313 HB2 SER A 93 -17.412 -50.129 12.354 1.00 0.00 H ATOM 1314 HB3 SER A 93 -18.393 -48.643 12.370 1.00 0.00 H ATOM 1315 H SER A 93 -18.336 -49.721 10.062 1.00 0.00 H ATOM 1316 N GLY A 94 -21.220 -48.720 11.750 1.00 47.49 N ATOM 1317 CA GLY A 94 -22.333 -47.994 12.334 1.00 43.67 C ATOM 1318 C GLY A 94 -21.818 -47.207 13.533 1.00 45.43 C ATOM 1319 O GLY A 94 -22.543 -46.409 14.137 1.00 43.59 O ATOM 1320 HA3 GLY A 94 -23.102 -48.696 12.657 1.00 0.00 H ATOM 1321 HA2 GLY A 94 -22.754 -47.310 11.597 1.00 0.00 H ATOM 1322 H GLY A 94 -20.697 -48.294 10.959 1.00 0.00 H ATOM 1323 N GLY A 95 -20.551 -47.441 13.872 1.00 43.72 N ATOM 1324 CA GLY A 95 -19.899 -46.749 14.971 1.00 42.44 C ATOM 1325 C GLY A 95 -19.862 -45.242 14.775 1.00 39.60 C ATOM 1326 O GLY A 95 -19.823 -44.748 13.644 1.00 38.27 O ATOM 1327 HA3 GLY A 95 -18.876 -47.115 15.056 1.00 0.00 H ATOM 1328 HA2 GLY A 95 -20.440 -46.968 15.892 1.00 0.00 H ATOM 1329 H GLY A 95 -20.009 -48.144 13.331 1.00 0.00 H ATOM 1330 N LYS A 96 -19.867 -44.504 15.880 1.00 35.00 N ATOM 1331 CA LYS A 96 -19.943 -43.057 15.801 1.00 32.57 C ATOM 1332 C LYS A 96 -18.721 -42.365 16.408 1.00 31.61 C ATOM 1333 O LYS A 96 -18.145 -42.829 17.398 1.00 33.85 O ATOM 1334 CB LYS A 96 -21.237 -42.556 16.457 1.00 34.40 C ATOM 1335 HA LYS A 96 -19.953 -42.794 14.743 1.00 0.00 H ATOM 1336 HB2 LYS A 96 -22.095 -42.987 15.941 1.00 0.00 H ATOM 1337 HB3 LYS A 96 -21.252 -42.857 17.504 1.00 0.00 H ATOM 1338 H LYS A 96 -19.816 -44.967 16.810 1.00 0.00 H ATOM 1339 N LEU A 97 -18.322 -41.261 15.788 1.00 29.54 N ATOM 1340 CA LEU A 97 -17.254 -40.410 16.299 1.00 26.85 C ATOM 1341 C LEU A 97 -17.854 -39.071 16.684 1.00 29.89 C ATOM 1342 O LEU A 97 -18.520 -38.425 15.881 1.00 28.60 O ATOM 1343 CB LEU A 97 -16.190 -40.201 15.223 1.00 29.27 C ATOM 1344 CG LEU A 97 -15.185 -39.058 15.435 1.00 34.29 C ATOM 1345 CD1 LEU A 97 -14.205 -39.385 16.563 1.00 33.97 C ATOM 1346 CD2 LEU A 97 -14.431 -38.751 14.142 1.00 35.60 C ATOM 1347 HA LEU A 97 -16.788 -40.881 17.164 1.00 0.00 H ATOM 1348 HB2 LEU A 97 -15.620 -41.127 15.142 1.00 0.00 H ATOM 1349 HB3 LEU A 97 -16.708 -40.011 14.283 1.00 0.00 H ATOM 1350 HG LEU A 97 -15.748 -38.171 15.724 1.00 0.00 H ATOM 1351 HD21 LEU A 97 -13.890 -39.640 13.819 1.00 0.00 H ATOM 1352 HD22 LEU A 97 -15.142 -38.456 13.370 1.00 0.00 H ATOM 1353 HD23 LEU A 97 -13.726 -37.939 14.318 1.00 0.00 H ATOM 1354 HD11 LEU A 97 -14.758 -39.539 17.490 1.00 0.00 H ATOM 1355 HD12 LEU A 97 -13.654 -40.291 16.312 1.00 0.00 H ATOM 1356 HD13 LEU A 97 -13.507 -38.557 16.688 1.00 0.00 H ATOM 1357 H LEU A 97 -18.791 -40.992 14.900 1.00 0.00 H ATOM 1358 N ALA A 98 -17.628 -38.649 17.917 1.00 26.36 N ATOM 1359 CA ALA A 98 -18.125 -37.353 18.363 1.00 29.14 C ATOM 1360 C ALA A 98 -16.925 -36.547 18.816 1.00 31.16 C ATOM 1361 O ALA A 98 -16.306 -36.864 19.828 1.00 33.53 O ATOM 1362 CB ALA A 98 -19.126 -37.528 19.502 1.00 33.98 C ATOM 1363 HA ALA A 98 -18.646 -36.838 17.556 1.00 0.00 H ATOM 1364 HB1 ALA A 98 -19.966 -38.130 19.156 1.00 0.00 H ATOM 1365 HB2 ALA A 98 -18.639 -38.028 20.339 1.00 0.00 H ATOM 1366 HB3 ALA A 98 -19.486 -36.550 19.821 1.00 0.00 H ATOM 1367 H ALA A 98 -17.090 -39.248 18.575 1.00 0.00 H ATOM 1368 N ALA A 99 -16.577 -35.517 18.057 1.00 28.46 N ATOM 1369 CA ALA A 99 -15.310 -34.839 18.290 1.00 27.81 C ATOM 1370 C ALA A 99 -15.448 -33.325 18.420 1.00 27.35 C ATOM 1371 O ALA A 99 -16.170 -32.686 17.641 1.00 24.56 O ATOM 1372 CB ALA A 99 -14.327 -35.197 17.188 1.00 25.63 C ATOM 1373 HA ALA A 99 -14.933 -35.188 19.251 1.00 0.00 H ATOM 1374 HB1 ALA A 99 -14.165 -36.275 17.183 1.00 0.00 H ATOM 1375 HB2 ALA A 99 -14.733 -34.885 16.226 1.00 0.00 H ATOM 1376 HB3 ALA A 99 -13.381 -34.687 17.367 1.00 0.00 H ATOM 1377 H ALA A 99 -17.208 -35.194 17.296 1.00 0.00 H ATOM 1378 N ASP A 100 -14.781 -32.767 19.430 1.00 23.16 N ATOM 1379 CA ASP A 100 -14.634 -31.323 19.542 1.00 23.39 C ATOM 1380 C ASP A 100 -13.267 -30.946 18.985 1.00 25.41 C ATOM 1381 O ASP A 100 -12.235 -31.422 19.473 1.00 23.44 O ATOM 1382 CB ASP A 100 -14.699 -30.868 20.996 1.00 24.45 C ATOM 1383 CG ASP A 100 -16.091 -30.968 21.589 1.00 32.53 C ATOM 1384 OD1 ASP A 100 -17.087 -30.969 20.830 1.00 31.39 O ATOM 1385 OD2 ASP A 100 -16.188 -31.029 22.836 1.00 45.50 O ATOM 1386 HA ASP A 100 -15.444 -30.843 18.993 1.00 0.00 H ATOM 1387 HB2 ASP A 100 -14.025 -31.490 21.585 1.00 0.00 H ATOM 1388 HB3 ASP A 100 -14.373 -29.829 21.050 1.00 0.00 H ATOM 1389 H ASP A 100 -14.355 -33.378 20.156 1.00 0.00 H ATOM 1390 N TYR A 101 -13.264 -30.083 17.978 1.00 20.11 N ATOM 1391 CA TYR A 101 -12.040 -29.663 17.328 1.00 19.11 C ATOM 1392 C TYR A 101 -11.624 -28.265 17.730 1.00 19.55 C ATOM 1393 O TYR A 101 -12.469 -27.425 18.044 1.00 19.42 O ATOM 1394 CB TYR A 101 -12.242 -29.637 15.806 1.00 20.04 C ATOM 1395 CG TYR A 101 -12.623 -30.954 15.211 1.00 19.81 C ATOM 1396 CD1 TYR A 101 -11.654 -31.896 14.879 1.00 20.80 C ATOM 1397 CD2 TYR A 101 -13.949 -31.254 14.954 1.00 22.40 C ATOM 1398 CE1 TYR A 101 -12.006 -33.102 14.323 1.00 22.37 C ATOM 1399 CE2 TYR A 101 -14.306 -32.444 14.398 1.00 24.55 C ATOM 1400 CZ TYR A 101 -13.341 -33.366 14.082 1.00 21.96 C ATOM 1401 OH TYR A 101 -13.726 -34.555 13.515 1.00 22.68 O ATOM 1402 HA TYR A 101 -11.272 -30.375 17.631 1.00 0.00 H ATOM 1403 HB3 TYR A 101 -11.310 -29.310 15.344 1.00 0.00 H ATOM 1404 HB2 TYR A 101 -13.030 -28.919 15.579 1.00 0.00 H ATOM 1405 HD2 TYR A 101 -14.721 -30.525 15.201 1.00 0.00 H ATOM 1406 HE2 TYR A 101 -15.356 -32.664 14.204 1.00 0.00 H ATOM 1407 HE1 TYR A 101 -11.243 -33.840 14.075 1.00 0.00 H ATOM 1408 HD1 TYR A 101 -10.603 -31.674 15.062 1.00 0.00 H ATOM 1409 HH TYR A 101 -12.926 -35.113 13.345 1.00 0.00 H ATOM 1410 H TYR A 101 -14.170 -29.695 17.644 1.00 0.00 H ATOM 1411 N ILE A 102 -10.318 -28.007 17.706 1.00 18.06 N ATOM 1412 CA ILE A 102 -9.855 -26.637 17.560 1.00 16.99 C ATOM 1413 C ILE A 102 -8.870 -26.614 16.399 1.00 21.66 C ATOM 1414 O ILE A 102 -8.011 -27.505 16.254 1.00 19.35 O ATOM 1415 CB ILE A 102 -9.287 -25.995 18.863 1.00 18.61 C ATOM 1416 CG1 ILE A 102 -8.859 -24.539 18.612 1.00 21.75 C ATOM 1417 CG2 ILE A 102 -8.102 -26.799 19.425 1.00 18.51 C ATOM 1418 CD1 ILE A 102 -8.633 -23.726 19.907 1.00 22.34 C ATOM 1419 HA ILE A 102 -10.712 -25.999 17.345 1.00 0.00 H ATOM 1420 HB ILE A 102 -10.087 -26.009 19.603 1.00 0.00 H ATOM 1421 HG12 ILE A 102 -7.929 -24.546 18.043 1.00 0.00 H ATOM 1422 HG13 ILE A 102 -9.637 -24.047 18.028 1.00 0.00 H ATOM 1423 HD11 ILE A 102 -9.558 -23.698 20.483 1.00 0.00 H ATOM 1424 HD12 ILE A 102 -7.849 -24.198 20.499 1.00 0.00 H ATOM 1425 HD13 ILE A 102 -8.334 -22.710 19.649 1.00 0.00 H ATOM 1426 HG21 ILE A 102 -8.429 -27.813 19.656 1.00 0.00 H ATOM 1427 HG22 ILE A 102 -7.304 -26.834 18.683 1.00 0.00 H ATOM 1428 HG23 ILE A 102 -7.736 -26.318 20.332 1.00 0.00 H ATOM 1429 H ILE A 102 -9.631 -28.783 17.791 1.00 0.00 H ATOM 1430 N SER A 103 -9.024 -25.614 15.541 1.00 20.21 N ATOM 1431 CA SER A 103 -8.269 -25.587 14.297 1.00 22.96 C ATOM 1432 C SER A 103 -7.578 -24.256 14.125 1.00 22.62 C ATOM 1433 O SER A 103 -8.097 -23.206 14.530 1.00 22.57 O ATOM 1434 CB SER A 103 -9.205 -25.801 13.108 1.00 23.61 C ATOM 1435 OG SER A 103 -10.179 -24.769 13.054 1.00 23.14 O ATOM 1436 HA SER A 103 -7.527 -26.384 14.338 1.00 0.00 H ATOM 1437 HB2 SER A 103 -9.706 -26.763 13.213 1.00 0.00 H ATOM 1438 HB3 SER A 103 -8.623 -25.795 12.186 1.00 0.00 H ATOM 1439 HG SER A 103 -10.711 -24.775 13.889 1.00 0.00 H ATOM 1440 H SER A 103 -9.689 -24.844 15.759 1.00 0.00 H ATOM 1441 N VAL A 104 -6.401 -24.320 13.517 1.00 21.72 N ATOM 1442 CA VAL A 104 -5.651 -23.145 13.147 1.00 19.87 C ATOM 1443 C VAL A 104 -5.451 -23.264 11.647 1.00 21.16 C ATOM 1444 O VAL A 104 -4.930 -24.271 11.163 1.00 23.66 O ATOM 1445 CB VAL A 104 -4.296 -23.124 13.837 1.00 21.57 C ATOM 1446 CG1 VAL A 104 -3.461 -21.936 13.351 1.00 20.82 C ATOM 1447 CG2 VAL A 104 -4.483 -23.085 15.348 1.00 21.49 C ATOM 1448 HA VAL A 104 -6.173 -22.232 13.435 1.00 0.00 H ATOM 1449 HB VAL A 104 -3.754 -24.035 13.581 1.00 0.00 H ATOM 1450 HG11 VAL A 104 -3.308 -22.017 12.275 1.00 0.00 H ATOM 1451 HG12 VAL A 104 -3.987 -21.008 13.576 1.00 0.00 H ATOM 1452 HG13 VAL A 104 -2.496 -21.940 13.858 1.00 0.00 H ATOM 1453 HG21 VAL A 104 -5.040 -22.188 15.621 1.00 0.00 H ATOM 1454 HG22 VAL A 104 -5.036 -23.969 15.667 1.00 0.00 H ATOM 1455 HG23 VAL A 104 -3.507 -23.070 15.833 1.00 0.00 H ATOM 1456 H VAL A 104 -6.003 -25.255 13.298 1.00 0.00 H ATOM 1457 N LEU A 105 -5.888 -22.251 10.912 1.00 22.20 N ATOM 1458 CA LEU A 105 -5.757 -22.268 9.472 1.00 21.97 C ATOM 1459 C LEU A 105 -5.010 -21.028 9.015 1.00 24.69 C ATOM 1460 O LEU A 105 -5.380 -19.901 9.376 1.00 26.42 O ATOM 1461 CB LEU A 105 -7.141 -22.335 8.812 1.00 22.93 C ATOM 1462 CG LEU A 105 -7.186 -22.766 7.342 1.00 30.24 C ATOM 1463 CD1 LEU A 105 -8.063 -23.991 7.145 1.00 28.52 C ATOM 1464 CD2 LEU A 105 -7.695 -21.615 6.482 1.00 28.16 C ATOM 1465 HA LEU A 105 -5.194 -23.152 9.174 1.00 0.00 H ATOM 1466 HB2 LEU A 105 -7.744 -23.042 9.382 1.00 0.00 H ATOM 1467 HB3 LEU A 105 -7.587 -21.343 8.879 1.00 0.00 H ATOM 1468 HG LEU A 105 -6.173 -23.030 7.037 1.00 0.00 H ATOM 1469 HD21 LEU A 105 -8.697 -21.336 6.807 1.00 0.00 H ATOM 1470 HD22 LEU A 105 -7.026 -20.761 6.588 1.00 0.00 H ATOM 1471 HD23 LEU A 105 -7.724 -21.928 5.438 1.00 0.00 H ATOM 1472 HD11 LEU A 105 -7.668 -24.818 7.735 1.00 0.00 H ATOM 1473 HD12 LEU A 105 -9.079 -23.765 7.469 1.00 0.00 H ATOM 1474 HD13 LEU A 105 -8.070 -24.266 6.090 1.00 0.00 H ATOM 1475 H LEU A 105 -6.331 -21.433 11.377 1.00 0.00 H ATOM 1476 N ARG A 106 -3.951 -21.241 8.238 1.00 22.37 N ATOM 1477 CA ARG A 106 -3.249 -20.148 7.576 1.00 26.53 C ATOM 1478 C ARG A 106 -3.585 -20.215 6.092 1.00 28.87 C ATOM 1479 O ARG A 106 -3.388 -21.261 5.452 1.00 23.35 O ATOM 1480 CB ARG A 106 -1.725 -20.255 7.758 1.00 27.82 C ATOM 1481 CG ARG A 106 -1.201 -20.077 9.199 1.00 31.08 C ATOM 1482 CD ARG A 106 0.350 -20.047 9.225 1.00 29.25 C ATOM 1483 NE ARG A 106 0.898 -20.276 10.566 1.00 41.44 N ATOM 1484 HA ARG A 106 -3.565 -19.202 8.016 1.00 0.00 H ATOM 1485 HB2 ARG A 106 -1.416 -21.241 7.410 1.00 0.00 H ATOM 1486 HB3 ARG A 106 -1.260 -19.489 7.137 1.00 0.00 H ATOM 1487 HG2 ARG A 106 -1.583 -19.140 9.605 1.00 0.00 H ATOM 1488 HG3 ARG A 106 -1.552 -20.907 9.812 1.00 0.00 H ATOM 1489 HD2 ARG A 106 0.686 -19.072 8.872 1.00 0.00 H ATOM 1490 HD3 ARG A 106 0.725 -20.823 8.557 1.00 0.00 H ATOM 1491 HE ARG A 106 0.257 -20.435 11.369 1.00 0.00 H ATOM 1492 H ARG A 106 -3.614 -22.215 8.099 1.00 0.00 H ATOM 1493 N THR A 107 -4.095 -19.116 5.535 1.00 25.54 N ATOM 1494 CA THR A 107 -4.377 -19.098 4.105 1.00 27.33 C ATOM 1495 C THR A 107 -3.493 -18.107 3.380 1.00 29.62 C ATOM 1496 O THR A 107 -2.917 -17.205 3.987 1.00 25.78 O ATOM 1497 CB THR A 107 -5.848 -18.748 3.772 1.00 25.25 C ATOM 1498 OG1 THR A 107 -6.228 -17.554 4.463 1.00 29.27 O ATOM 1499 CG2 THR A 107 -6.773 -19.886 4.174 1.00 30.14 C ATOM 1500 HA THR A 107 -4.175 -20.115 3.769 1.00 0.00 H ATOM 1501 HB THR A 107 -5.933 -18.592 2.697 1.00 0.00 H ATOM 1502 HG1 THR A 107 -6.136 -17.695 5.439 1.00 0.00 H ATOM 1503 HG23 THR A 107 -6.481 -20.794 3.646 1.00 0.00 H ATOM 1504 HG21 THR A 107 -6.699 -20.050 5.249 1.00 0.00 H ATOM 1505 HG22 THR A 107 -7.799 -19.627 3.914 1.00 0.00 H ATOM 1506 H THR A 107 -4.290 -18.277 6.117 1.00 0.00 H ATOM 1507 N ARG A 108 -3.399 -18.293 2.070 1.00 31.71 N ATOM 1508 CA ARG A 108 -2.753 -17.337 1.188 1.00 34.00 C ATOM 1509 C ARG A 108 -3.528 -17.276 -0.120 1.00 40.26 C ATOM 1510 O ARG A 108 -3.510 -18.241 -0.892 1.00 33.06 O ATOM 1511 CB ARG A 108 -1.317 -17.745 0.888 1.00 36.34 C ATOM 1512 CG ARG A 108 -0.772 -17.038 -0.343 1.00 43.61 C ATOM 1513 CD ARG A 108 0.728 -16.892 -0.313 1.00 42.61 C ATOM 1514 NE ARG A 108 1.418 -18.119 -0.689 1.00 43.40 N ATOM 1515 CZ ARG A 108 2.239 -18.781 0.119 1.00 45.25 C ATOM 1516 NH1 ARG A 108 2.462 -18.329 1.346 1.00 47.68 N ATOM 1517 NH2 ARG A 108 2.842 -19.887 -0.297 1.00 48.80 N ATOM 1518 HA ARG A 108 -2.741 -16.365 1.681 1.00 0.00 H ATOM 1519 HB2 ARG A 108 -0.692 -17.493 1.745 1.00 0.00 H ATOM 1520 HB3 ARG A 108 -1.284 -18.821 0.720 1.00 0.00 H ATOM 1521 HG2 ARG A 108 -1.049 -17.612 -1.227 1.00 0.00 H ATOM 1522 HG3 ARG A 108 -1.218 -16.045 -0.402 1.00 0.00 H ATOM 1523 HD2 ARG A 108 1.032 -16.615 0.697 1.00 0.00 H ATOM 1524 HD3 ARG A 108 1.016 -16.102 -1.007 1.00 0.00 H ATOM 1525 HE ARG A 108 1.259 -18.498 -1.644 1.00 0.00 H ATOM 1526 HH12 ARG A 108 3.104 -18.844 1.981 1.00 0.00 H ATOM 1527 HH11 ARG A 108 1.995 -17.459 1.673 1.00 0.00 H ATOM 1528 HH22 ARG A 108 3.484 -20.401 0.340 1.00 0.00 H ATOM 1529 HH21 ARG A 108 2.673 -20.240 -1.260 1.00 0.00 H ATOM 1530 H ARG A 108 -3.804 -19.158 1.658 1.00 0.00 H ATOM 1531 N ASP A 109 -4.212 -16.159 -0.361 1.00 38.44 N ATOM 1532 CA ASP A 109 -4.904 -15.951 -1.628 1.00 38.95 C ATOM 1533 C ASP A 109 -5.895 -17.068 -1.925 1.00 38.19 C ATOM 1534 O ASP A 109 -5.833 -17.697 -2.977 1.00 42.29 O ATOM 1535 CB ASP A 109 -3.889 -15.850 -2.769 1.00 46.98 C ATOM 1536 HA ASP A 109 -5.464 -15.019 -1.545 1.00 0.00 H ATOM 1537 HB2 ASP A 109 -3.219 -15.011 -2.584 1.00 0.00 H ATOM 1538 HB3 ASP A 109 -3.311 -16.773 -2.823 1.00 0.00 H ATOM 1539 H ASP A 109 -4.254 -15.420 0.369 1.00 0.00 H ATOM 1540 N GLY A 110 -6.803 -17.314 -0.992 1.00 37.64 N ATOM 1541 CA GLY A 110 -7.846 -18.304 -1.181 1.00 36.85 C ATOM 1542 C GLY A 110 -7.417 -19.766 -1.139 1.00 34.02 C ATOM 1543 O GLY A 110 -8.245 -20.643 -1.381 1.00 38.73 O ATOM 1544 HA3 GLY A 110 -8.303 -18.121 -2.154 1.00 0.00 H ATOM 1545 HA2 GLY A 110 -8.589 -18.155 -0.398 1.00 0.00 H ATOM 1546 H GLY A 110 -6.767 -16.782 -0.099 1.00 0.00 H ATOM 1547 N GLN A 111 -6.146 -20.050 -0.849 1.00 28.66 N ATOM 1548 CA GLN A 111 -5.718 -21.449 -0.692 1.00 30.27 C ATOM 1549 C GLN A 111 -5.099 -21.717 0.683 1.00 26.45 C ATOM 1550 O GLN A 111 -4.535 -20.816 1.302 1.00 23.84 O ATOM 1551 CB GLN A 111 -4.752 -21.868 -1.797 1.00 29.08 C ATOM 1552 HA GLN A 111 -6.620 -22.055 -0.773 1.00 0.00 H ATOM 1553 HB2 GLN A 111 -5.242 -21.764 -2.765 1.00 0.00 H ATOM 1554 HB3 GLN A 111 -3.868 -21.231 -1.766 1.00 0.00 H ATOM 1555 H GLN A 111 -5.456 -19.280 -0.734 1.00 0.00 H ATOM 1556 N ILE A 112 -5.189 -22.966 1.139 1.00 23.76 N ATOM 1557 CA ILE A 112 -4.757 -23.329 2.486 1.00 21.14 C ATOM 1558 C ILE A 112 -3.272 -23.700 2.521 1.00 24.00 C ATOM 1559 O ILE A 112 -2.840 -24.620 1.829 1.00 23.78 O ATOM 1560 CB ILE A 112 -5.587 -24.523 3.030 1.00 23.48 C ATOM 1561 CG1 ILE A 112 -7.087 -24.187 3.030 1.00 25.24 C ATOM 1562 CG2 ILE A 112 -5.082 -24.919 4.425 1.00 21.88 C ATOM 1563 CD1 ILE A 112 -8.002 -25.348 3.416 1.00 22.82 C ATOM 1564 HA ILE A 112 -4.917 -22.454 3.116 1.00 0.00 H ATOM 1565 HB ILE A 112 -5.455 -25.382 2.373 1.00 0.00 H ATOM 1566 HG12 ILE A 112 -7.253 -23.374 3.737 1.00 0.00 H ATOM 1567 HG13 ILE A 112 -7.361 -23.857 2.028 1.00 0.00 H ATOM 1568 HD11 ILE A 112 -7.862 -26.168 2.712 1.00 0.00 H ATOM 1569 HD12 ILE A 112 -7.754 -25.685 4.423 1.00 0.00 H ATOM 1570 HD13 ILE A 112 -9.040 -25.016 3.388 1.00 0.00 H ATOM 1571 HG21 ILE A 112 -4.033 -25.209 4.362 1.00 0.00 H ATOM 1572 HG22 ILE A 112 -5.185 -24.071 5.102 1.00 0.00 H ATOM 1573 HG23 ILE A 112 -5.670 -25.757 4.798 1.00 0.00 H ATOM 1574 H ILE A 112 -5.578 -23.704 0.518 1.00 0.00 H ATOM 1575 N LEU A 113 -2.496 -22.983 3.322 1.00 22.32 N ATOM 1576 CA LEU A 113 -1.077 -23.298 3.523 1.00 22.30 C ATOM 1577 C LEU A 113 -0.887 -24.202 4.733 1.00 24.11 C ATOM 1578 O LEU A 113 -0.015 -25.061 4.747 1.00 26.07 O ATOM 1579 CB LEU A 113 -0.283 -22.016 3.752 1.00 26.69 C ATOM 1580 CG LEU A 113 0.110 -21.284 2.476 1.00 35.70 C ATOM 1581 CD1 LEU A 113 0.681 -19.921 2.827 1.00 40.41 C ATOM 1582 CD2 LEU A 113 1.114 -22.118 1.691 1.00 34.22 C ATOM 1583 HA LEU A 113 -0.721 -23.809 2.628 1.00 0.00 H ATOM 1584 HB2 LEU A 113 -0.889 -21.343 4.359 1.00 0.00 H ATOM 1585 HB3 LEU A 113 0.628 -22.271 4.294 1.00 0.00 H ATOM 1586 HG LEU A 113 -0.769 -21.136 1.849 1.00 0.00 H ATOM 1587 HD21 LEU A 113 2.002 -22.283 2.300 1.00 0.00 H ATOM 1588 HD22 LEU A 113 0.665 -23.077 1.433 1.00 0.00 H ATOM 1589 HD23 LEU A 113 1.391 -21.588 0.779 1.00 0.00 H ATOM 1590 HD11 LEU A 113 -0.071 -19.340 3.362 1.00 0.00 H ATOM 1591 HD12 LEU A 113 1.561 -20.049 3.458 1.00 0.00 H ATOM 1592 HD13 LEU A 113 0.961 -19.399 1.912 1.00 0.00 H ATOM 1593 H LEU A 113 -2.907 -22.170 3.825 1.00 0.00 H ATOM 1594 N LEU A 114 -1.695 -23.980 5.766 1.00 20.70 N ATOM 1595 CA LEU A 114 -1.638 -24.820 6.958 1.00 22.36 C ATOM 1596 C LEU A 114 -3.036 -25.031 7.510 1.00 22.16 C ATOM 1597 O LEU A 114 -3.810 -24.083 7.657 1.00 23.10 O ATOM 1598 CB LEU A 114 -0.745 -24.204 8.036 1.00 24.08 C ATOM 1599 CG LEU A 114 -0.727 -24.946 9.379 1.00 24.77 C ATOM 1600 CD1 LEU A 114 -0.006 -26.287 9.253 1.00 22.12 C ATOM 1601 CD2 LEU A 114 -0.066 -24.086 10.437 1.00 26.55 C ATOM 1602 HA LEU A 114 -1.208 -25.779 6.670 1.00 0.00 H ATOM 1603 HB2 LEU A 114 0.275 -24.177 7.653 1.00 0.00 H ATOM 1604 HB3 LEU A 114 -1.091 -23.186 8.218 1.00 0.00 H ATOM 1605 HG LEU A 114 -1.756 -25.145 9.677 1.00 0.00 H ATOM 1606 HD21 LEU A 114 0.958 -23.864 10.135 1.00 0.00 H ATOM 1607 HD22 LEU A 114 -0.623 -23.156 10.548 1.00 0.00 H ATOM 1608 HD23 LEU A 114 -0.058 -24.622 11.386 1.00 0.00 H ATOM 1609 HD11 LEU A 114 -0.519 -26.906 8.517 1.00 0.00 H ATOM 1610 HD12 LEU A 114 1.022 -26.117 8.933 1.00 0.00 H ATOM 1611 HD13 LEU A 114 -0.008 -26.791 10.219 1.00 0.00 H ATOM 1612 H LEU A 114 -2.377 -23.196 5.724 1.00 0.00 H ATOM 1613 N TYR A 115 -3.343 -26.286 7.806 1.00 19.72 N ATOM 1614 CA TYR A 115 -4.616 -26.680 8.386 1.00 21.00 C ATOM 1615 C TYR A 115 -4.249 -27.550 9.577 1.00 20.70 C ATOM 1616 O TYR A 115 -4.053 -28.759 9.426 1.00 19.98 O ATOM 1617 CB TYR A 115 -5.351 -27.513 7.364 1.00 20.79 C ATOM 1618 CG TYR A 115 -6.835 -27.753 7.570 1.00 27.77 C ATOM 1619 CD1 TYR A 115 -7.755 -27.288 6.635 1.00 28.16 C ATOM 1620 CD2 TYR A 115 -7.311 -28.519 8.628 1.00 27.96 C ATOM 1621 CE1 TYR A 115 -9.111 -27.531 6.767 1.00 25.30 C ATOM 1622 CE2 TYR A 115 -8.684 -28.771 8.775 1.00 26.35 C ATOM 1623 CZ TYR A 115 -9.574 -28.267 7.836 1.00 30.09 C ATOM 1624 OH TYR A 115 -10.937 -28.501 7.938 1.00 33.59 O ATOM 1625 HA TYR A 115 -5.241 -25.835 8.676 1.00 0.00 H ATOM 1626 HB3 TYR A 115 -4.866 -28.489 7.333 1.00 0.00 H ATOM 1627 HB2 TYR A 115 -5.234 -27.019 6.399 1.00 0.00 H ATOM 1628 HD2 TYR A 115 -6.608 -28.929 9.353 1.00 0.00 H ATOM 1629 HE2 TYR A 115 -9.048 -29.357 9.619 1.00 0.00 H ATOM 1630 HE1 TYR A 115 -9.811 -27.141 6.028 1.00 0.00 H ATOM 1631 HD1 TYR A 115 -7.399 -26.718 5.777 1.00 0.00 H ATOM 1632 HH TYR A 115 -11.106 -29.476 7.913 1.00 0.00 H ATOM 1633 H TYR A 115 -2.638 -27.026 7.614 1.00 0.00 H ATOM 1634 N ARG A 116 -4.130 -26.932 10.752 1.00 20.85 N ATOM 1635 CA ARG A 116 -3.671 -27.638 11.945 1.00 18.60 C ATOM 1636 C ARG A 116 -4.883 -28.009 12.781 1.00 20.57 C ATOM 1637 O ARG A 116 -5.539 -27.134 13.347 1.00 21.25 O ATOM 1638 CB ARG A 116 -2.691 -26.769 12.742 1.00 16.54 C ATOM 1639 CG ARG A 116 -2.163 -27.424 14.003 1.00 19.87 C ATOM 1640 CD ARG A 116 -1.052 -26.608 14.653 1.00 20.93 C ATOM 1641 NE ARG A 116 0.170 -26.640 13.850 1.00 28.35 N ATOM 1642 CZ ARG A 116 1.095 -25.687 13.858 1.00 27.22 C ATOM 1643 NH1 ARG A 116 0.942 -24.612 14.629 1.00 26.50 N ATOM 1644 NH2 ARG A 116 2.168 -25.806 13.094 1.00 31.08 N ATOM 1645 HA ARG A 116 -3.138 -28.545 11.660 1.00 0.00 H ATOM 1646 HB2 ARG A 116 -1.843 -26.532 12.099 1.00 0.00 H ATOM 1647 HB3 ARG A 116 -3.201 -25.848 13.023 1.00 0.00 H ATOM 1648 HG2 ARG A 116 -2.983 -27.530 14.714 1.00 0.00 H ATOM 1649 HG3 ARG A 116 -1.773 -28.410 13.750 1.00 0.00 H ATOM 1650 HD2 ARG A 116 -0.840 -27.019 15.640 1.00 0.00 H ATOM 1651 HD3 ARG A 116 -1.383 -25.575 14.755 1.00 0.00 H ATOM 1652 HE ARG A 116 0.325 -27.462 13.233 1.00 0.00 H ATOM 1653 HH12 ARG A 116 1.668 -23.867 14.633 1.00 0.00 H ATOM 1654 HH11 ARG A 116 0.096 -24.517 15.227 1.00 0.00 H ATOM 1655 HH22 ARG A 116 2.894 -25.062 13.098 1.00 0.00 H ATOM 1656 HH21 ARG A 116 2.286 -26.644 12.489 1.00 0.00 H ATOM 1657 H ARG A 116 -4.370 -25.922 10.821 1.00 0.00 H ATOM 1658 N LEU A 117 -5.178 -29.305 12.854 1.00 18.96 N ATOM 1659 CA LEU A 117 -6.447 -29.745 13.403 1.00 20.17 C ATOM 1660 C LEU A 117 -6.273 -30.626 14.641 1.00 17.80 C ATOM 1661 O LEU A 117 -5.919 -31.816 14.535 1.00 16.89 O ATOM 1662 CB LEU A 117 -7.247 -30.475 12.328 1.00 19.11 C ATOM 1663 CG LEU A 117 -8.656 -30.928 12.705 1.00 23.43 C ATOM 1664 CD1 LEU A 117 -9.565 -29.723 12.965 1.00 23.66 C ATOM 1665 CD2 LEU A 117 -9.223 -31.802 11.580 1.00 25.24 C ATOM 1666 HA LEU A 117 -6.994 -28.859 13.725 1.00 0.00 H ATOM 1667 HB2 LEU A 117 -7.334 -29.807 11.471 1.00 0.00 H ATOM 1668 HB3 LEU A 117 -6.681 -31.361 12.041 1.00 0.00 H ATOM 1669 HG LEU A 117 -8.610 -31.511 13.625 1.00 0.00 H ATOM 1670 HD21 LEU A 117 -9.259 -31.225 10.656 1.00 0.00 H ATOM 1671 HD22 LEU A 117 -8.583 -32.673 11.441 1.00 0.00 H ATOM 1672 HD23 LEU A 117 -10.229 -32.127 11.846 1.00 0.00 H ATOM 1673 HD11 LEU A 117 -9.156 -29.131 13.783 1.00 0.00 H ATOM 1674 HD12 LEU A 117 -9.622 -29.111 12.065 1.00 0.00 H ATOM 1675 HD13 LEU A 117 -10.562 -30.073 13.232 1.00 0.00 H ATOM 1676 H LEU A 117 -4.492 -30.009 12.514 1.00 0.00 H ATOM 1677 N PHE A 118 -6.505 -30.014 15.804 1.00 14.49 N ATOM 1678 CA PHE A 118 -6.454 -30.687 17.101 1.00 18.02 C ATOM 1679 C PHE A 118 -7.781 -31.400 17.347 1.00 21.90 C ATOM 1680 O PHE A 118 -8.850 -30.841 17.075 1.00 18.88 O ATOM 1681 CB PHE A 118 -6.279 -29.654 18.231 1.00 18.84 C ATOM 1682 CG PHE A 118 -4.972 -28.877 18.172 1.00 17.80 C ATOM 1683 CD1 PHE A 118 -4.864 -27.727 17.412 1.00 17.38 C ATOM 1684 CD2 PHE A 118 -3.872 -29.287 18.911 1.00 15.31 C ATOM 1685 CE1 PHE A 118 -3.679 -27.000 17.365 1.00 17.09 C ATOM 1686 CE2 PHE A 118 -2.669 -28.574 18.867 1.00 17.12 C ATOM 1687 CZ PHE A 118 -2.571 -27.429 18.089 1.00 18.08 C ATOM 1688 HA PHE A 118 -5.619 -31.388 17.093 1.00 0.00 H ATOM 1689 HB2 PHE A 118 -7.103 -28.942 18.174 1.00 0.00 H ATOM 1690 HB3 PHE A 118 -6.321 -30.180 19.185 1.00 0.00 H ATOM 1691 HD2 PHE A 118 -3.946 -30.178 19.535 1.00 0.00 H ATOM 1692 HE2 PHE A 118 -1.810 -28.917 19.443 1.00 0.00 H ATOM 1693 HZ PHE A 118 -1.635 -26.871 18.046 1.00 0.00 H ATOM 1694 HE1 PHE A 118 -3.618 -26.095 16.761 1.00 0.00 H ATOM 1695 HD1 PHE A 118 -5.725 -27.383 16.838 1.00 0.00 H ATOM 1696 H PHE A 118 -6.735 -29.000 15.787 1.00 0.00 H ATOM 1697 N PHE A 119 -7.702 -32.621 17.869 1.00 18.05 N ATOM 1698 CA PHE A 119 -8.863 -33.345 18.359 1.00 18.56 C ATOM 1699 C PHE A 119 -8.365 -34.380 19.372 1.00 19.24 C ATOM 1700 O PHE A 119 -7.158 -34.587 19.529 1.00 20.52 O ATOM 1701 CB PHE A 119 -9.624 -34.018 17.203 1.00 18.96 C ATOM 1702 CG PHE A 119 -8.751 -34.851 16.307 1.00 17.40 C ATOM 1703 CD1 PHE A 119 -8.341 -36.129 16.702 1.00 19.79 C ATOM 1704 CD2 PHE A 119 -8.332 -34.364 15.074 1.00 21.75 C ATOM 1705 CE1 PHE A 119 -7.542 -36.892 15.893 1.00 21.98 C ATOM 1706 CE2 PHE A 119 -7.495 -35.139 14.241 1.00 21.79 C ATOM 1707 CZ PHE A 119 -7.104 -36.396 14.651 1.00 17.96 C ATOM 1708 HA PHE A 119 -9.565 -32.660 18.835 1.00 0.00 H ATOM 1709 HB2 PHE A 119 -10.395 -34.661 17.627 1.00 0.00 H ATOM 1710 HB3 PHE A 119 -10.093 -33.240 16.600 1.00 0.00 H ATOM 1711 HD2 PHE A 119 -8.652 -33.375 14.747 1.00 0.00 H ATOM 1712 HE2 PHE A 119 -7.161 -34.746 13.281 1.00 0.00 H ATOM 1713 HZ PHE A 119 -6.459 -37.003 14.016 1.00 0.00 H ATOM 1714 HE1 PHE A 119 -7.243 -37.890 16.213 1.00 0.00 H ATOM 1715 HD1 PHE A 119 -8.662 -36.523 17.667 1.00 0.00 H ATOM 1716 H PHE A 119 -6.769 -33.077 17.929 1.00 0.00 H ATOM 1717 N ASN A 120 -9.294 -35.005 20.077 1.00 18.63 N ATOM 1718 CA ASN A 120 -8.965 -36.003 21.089 1.00 20.34 C ATOM 1719 C ASN A 120 -8.958 -37.385 20.451 1.00 20.89 C ATOM 1720 O ASN A 120 -10.018 -37.909 20.095 1.00 21.15 O ATOM 1721 CB ASN A 120 -9.997 -35.939 22.219 1.00 19.50 C ATOM 1722 CG ASN A 120 -9.681 -36.872 23.364 1.00 24.69 C ATOM 1723 OD1 ASN A 120 -8.762 -37.705 23.289 1.00 23.11 O ATOM 1724 ND2 ASN A 120 -10.447 -36.741 24.446 1.00 19.90 N ATOM 1725 HA ASN A 120 -7.977 -35.802 21.503 1.00 0.00 H ATOM 1726 HB2 ASN A 120 -10.030 -34.919 22.601 1.00 0.00 H ATOM 1727 HB3 ASN A 120 -10.973 -36.205 21.813 1.00 0.00 H ATOM 1728 HD22 ASN A 120 -11.205 -36.029 24.463 1.00 0.00 H ATOM 1729 HD21 ASN A 120 -10.287 -37.350 25.273 1.00 0.00 H ATOM 1730 H ASN A 120 -10.294 -34.777 19.904 1.00 0.00 H ATOM 1731 N PRO A 121 -7.762 -37.970 20.278 1.00 20.95 N ATOM 1732 CA PRO A 121 -7.663 -39.264 19.590 1.00 23.93 C ATOM 1733 C PRO A 121 -8.405 -40.382 20.331 1.00 24.25 C ATOM 1734 O PRO A 121 -8.735 -41.407 19.722 1.00 26.93 O ATOM 1735 CB PRO A 121 -6.144 -39.542 19.532 1.00 25.14 C ATOM 1736 CG PRO A 121 -5.515 -38.609 20.497 1.00 22.38 C ATOM 1737 CD PRO A 121 -6.450 -37.441 20.696 1.00 20.21 C ATOM 1738 HA PRO A 121 -8.128 -39.233 18.605 1.00 0.00 H ATOM 1739 HD3 PRO A 121 -6.470 -37.132 21.741 1.00 0.00 H ATOM 1740 HD2 PRO A 121 -6.155 -36.596 20.074 1.00 0.00 H ATOM 1741 HG3 PRO A 121 -4.562 -38.257 20.103 1.00 0.00 H ATOM 1742 HG2 PRO A 121 -5.349 -39.116 21.447 1.00 0.00 H ATOM 1743 HB2 PRO A 121 -5.938 -40.574 19.815 1.00 0.00 H ATOM 1744 HB3 PRO A 121 -5.764 -39.359 18.527 1.00 0.00 H ATOM 1745 N LEU A 122 -8.684 -40.180 21.617 1.00 25.32 N ATOM 1746 CA LEU A 122 -9.461 -41.158 22.386 1.00 27.03 C ATOM 1747 C LEU A 122 -10.889 -41.310 21.858 1.00 30.76 C ATOM 1748 O LEU A 122 -11.463 -42.401 21.929 1.00 30.86 O ATOM 1749 CB LEU A 122 -9.471 -40.814 23.879 1.00 25.71 C ATOM 1750 HA LEU A 122 -8.963 -42.119 22.258 1.00 0.00 H ATOM 1751 HB2 LEU A 122 -8.448 -40.810 24.256 1.00 0.00 H ATOM 1752 HB3 LEU A 122 -9.916 -39.829 24.021 1.00 0.00 H ATOM 1753 H LEU A 122 -8.345 -39.315 22.084 1.00 0.00 H ATOM 1754 N ARG A 123 -11.463 -40.234 21.319 1.00 23.11 N ATOM 1755 CA ARG A 123 -12.787 -40.331 20.693 1.00 28.43 C ATOM 1756 C ARG A 123 -12.757 -41.211 19.434 1.00 31.27 C ATOM 1757 O ARG A 123 -13.775 -41.775 19.029 1.00 31.35 O ATOM 1758 CB ARG A 123 -13.334 -38.946 20.343 1.00 28.03 C ATOM 1759 CG ARG A 123 -13.404 -37.982 21.525 1.00 30.81 C ATOM 1760 CD ARG A 123 -14.403 -38.433 22.565 1.00 34.59 C ATOM 1761 NE ARG A 123 -14.956 -37.288 23.293 1.00 39.47 N ATOM 1762 HA ARG A 123 -13.449 -40.799 21.422 1.00 0.00 H ATOM 1763 HB2 ARG A 123 -12.690 -38.507 19.581 1.00 0.00 H ATOM 1764 HB3 ARG A 123 -14.340 -39.067 19.941 1.00 0.00 H ATOM 1765 HG2 ARG A 123 -12.419 -37.919 21.987 1.00 0.00 H ATOM 1766 HG3 ARG A 123 -13.696 -36.997 21.160 1.00 0.00 H ATOM 1767 HD2 ARG A 123 -13.907 -39.099 23.271 1.00 0.00 H ATOM 1768 HD3 ARG A 123 -15.215 -38.968 22.072 1.00 0.00 H ATOM 1769 HE ARG A 123 -14.645 -36.324 23.059 1.00 0.00 H ATOM 1770 H ARG A 123 -10.969 -39.319 21.342 1.00 0.00 H ATOM 1771 N VAL A 124 -11.591 -41.332 18.815 1.00 27.68 N ATOM 1772 CA VAL A 124 -11.474 -42.169 17.626 1.00 33.26 C ATOM 1773 C VAL A 124 -11.415 -43.644 18.010 1.00 32.55 C ATOM 1774 O VAL A 124 -12.006 -44.500 17.346 1.00 36.74 O ATOM 1775 CB VAL A 124 -10.227 -41.797 16.800 1.00 29.95 C ATOM 1776 CG1 VAL A 124 -9.944 -42.855 15.757 1.00 31.22 C ATOM 1777 CG2 VAL A 124 -10.409 -40.410 16.161 1.00 30.44 C ATOM 1778 HA VAL A 124 -12.359 -41.994 17.014 1.00 0.00 H ATOM 1779 HB VAL A 124 -9.364 -41.751 17.464 1.00 0.00 H ATOM 1780 HG11 VAL A 124 -9.769 -43.812 16.250 1.00 0.00 H ATOM 1781 HG12 VAL A 124 -10.799 -42.941 15.087 1.00 0.00 H ATOM 1782 HG13 VAL A 124 -9.060 -42.573 15.185 1.00 0.00 H ATOM 1783 HG21 VAL A 124 -11.281 -40.424 15.506 1.00 0.00 H ATOM 1784 HG22 VAL A 124 -10.554 -39.666 16.945 1.00 0.00 H ATOM 1785 HG23 VAL A 124 -9.521 -40.160 15.580 1.00 0.00 H ATOM 1786 H VAL A 124 -10.757 -40.828 19.178 1.00 0.00 H ATOM 1787 N LEU A 125 -10.704 -43.933 19.093 1.00 30.68 N ATOM 1788 CA LEU A 125 -10.519 -45.306 19.546 1.00 34.99 C ATOM 1789 C LEU A 125 -11.743 -45.832 20.305 1.00 37.07 C ATOM 1790 O LEU A 125 -11.883 -47.034 20.515 1.00 40.79 O ATOM 1791 CB LEU A 125 -9.284 -45.391 20.435 1.00 31.62 C ATOM 1792 CG LEU A 125 -8.012 -44.839 19.800 1.00 37.59 C ATOM 1793 CD1 LEU A 125 -6.829 -44.917 20.777 1.00 32.06 C ATOM 1794 CD2 LEU A 125 -7.717 -45.604 18.519 1.00 34.52 C ATOM 1795 HA LEU A 125 -10.387 -45.931 18.663 1.00 0.00 H ATOM 1796 HB2 LEU A 125 -9.481 -44.829 21.348 1.00 0.00 H ATOM 1797 HB3 LEU A 125 -9.114 -46.438 20.684 1.00 0.00 H ATOM 1798 HG LEU A 125 -8.161 -43.787 19.559 1.00 0.00 H ATOM 1799 HD21 LEU A 125 -7.581 -46.660 18.751 1.00 0.00 H ATOM 1800 HD22 LEU A 125 -8.551 -45.487 17.827 1.00 0.00 H ATOM 1801 HD23 LEU A 125 -6.808 -45.211 18.064 1.00 0.00 H ATOM 1802 HD11 LEU A 125 -7.057 -44.333 21.669 1.00 0.00 H ATOM 1803 HD12 LEU A 125 -6.658 -45.957 21.056 1.00 0.00 H ATOM 1804 HD13 LEU A 125 -5.936 -44.517 20.297 1.00 0.00 H ATOM 1805 H LEU A 125 -10.267 -43.159 19.633 1.00 0.00 H ATOM 1806 N GLU A 126 -12.630 -44.931 20.710 1.00 35.62 N ATOM 1807 CA GLU A 126 -13.819 -45.325 21.458 1.00 39.07 C ATOM 1808 C GLU A 126 -15.088 -44.942 20.705 1.00 34.97 C ATOM 1809 O GLU A 126 -15.756 -43.965 21.060 1.00 37.07 O ATOM 1810 CB GLU A 126 -13.818 -44.689 22.857 1.00 31.60 C ATOM 1811 CG GLU A 126 -12.525 -44.920 23.643 1.00 36.46 C ATOM 1812 CD GLU A 126 -12.632 -44.465 25.090 1.00 37.94 C ATOM 1813 HA GLU A 126 -13.800 -46.409 21.570 1.00 0.00 H ATOM 1814 HB2 GLU A 126 -13.965 -43.615 22.746 1.00 0.00 H ATOM 1815 HB3 GLU A 126 -14.646 -45.111 23.427 1.00 0.00 H ATOM 1816 HG2 GLU A 126 -12.292 -45.985 23.628 1.00 0.00 H ATOM 1817 HG3 GLU A 126 -11.719 -44.366 23.161 1.00 0.00 H ATOM 1818 H GLU A 126 -12.474 -43.926 20.490 1.00 0.00 H ATOM 1819 N PRO A 127 -15.425 -45.705 19.652 1.00 38.27 N ATOM 1820 CA PRO A 127 -16.670 -45.327 18.967 1.00 34.74 C ATOM 1821 C PRO A 127 -17.895 -45.514 19.875 1.00 40.89 C ATOM 1822 O PRO A 127 -17.845 -46.301 20.836 1.00 38.23 O ATOM 1823 CB PRO A 127 -16.731 -46.302 17.793 1.00 40.10 C ATOM 1824 HA PRO A 127 -16.680 -44.278 18.670 1.00 0.00 H ATOM 1825 HN2 PRO A 127 -14.651 -45.656 18.960 1.00 0.00 H ATOM 1826 HN1 PRO A 127 -15.528 -46.685 19.986 1.00 0.00 H ATOM 1827 HB2 PRO A 127 -15.851 -46.168 17.165 1.00 0.00 H ATOM 1828 HB3 PRO A 127 -16.756 -47.324 18.172 1.00 0.00 H ATOM 1829 N LEU A 128 -18.972 -44.788 19.580 1.00 38.70 N ATOM 1830 CA LEU A 128 -20.182 -44.843 20.392 1.00 43.76 C ATOM 1831 C LEU A 128 -21.370 -45.349 19.574 1.00 40.69 C ATOM 1832 O LEU A 128 -21.188 -45.918 18.494 1.00 37.84 O ATOM 1833 CB LEU A 128 -20.489 -43.468 20.994 1.00 40.59 C ATOM 1834 HA LEU A 128 -20.010 -45.547 21.206 1.00 0.00 H ATOM 1835 HB2 LEU A 128 -19.655 -43.153 21.622 1.00 0.00 H ATOM 1836 HB3 LEU A 128 -20.634 -42.745 20.191 1.00 0.00 H ATOM 1837 H LEU A 128 -18.949 -44.165 18.748 1.00 0.00 H TER 1838 LEU A 128 HETATM 1839 O HOH 1 -12.151 -34.486 19.938 1.00 17.75 O HETATM 1840 O HOH 2 -5.088 -33.864 16.347 1.00 19.70 O HETATM 1841 O HOH 3 -17.759 -17.147 15.122 1.00 31.13 O HETATM 1842 O HOH 4 4.291 -37.374 10.624 1.00 24.11 O HETATM 1843 O HOH 5 -12.839 -13.703 20.264 1.00 25.83 O HETATM 1844 O HOH 6 -21.432 -38.387 17.028 1.00 26.67 O HETATM 1845 O HOH 7 -10.143 -16.689 13.879 1.00 28.41 O HETATM 1846 O HOH 8 -12.832 -34.853 24.760 1.00 29.87 O HETATM 1847 O HOH 9 -13.791 -34.416 22.307 1.00 17.88 O HETATM 1848 O HOH 10 -14.013 -37.468 -3.080 1.00 21.31 O HETATM 1849 O HOH 11 2.386 -24.669 6.026 1.00 31.44 O HETATM 1850 O HOH 12 3.739 -25.623 8.077 1.00 37.33 O HETATM 1851 O HOH 13 -1.675 -39.679 19.858 1.00 26.26 O HETATM 1852 O HOH 14 4.360 -36.048 4.616 1.00 21.95 O HETATM 1853 O HOH 15 -19.884 -36.782 4.915 1.00 29.94 O HETATM 1854 O HOH 16 -24.486 -25.644 13.906 1.00 33.08 O HETATM 1855 O HOH 17 -11.493 -36.872 18.126 1.00 24.84 O HETATM 1856 O HOH 18 -10.310 -14.737 8.571 1.00 29.23 O HETATM 1857 O HOH 19 -22.102 -24.280 12.204 1.00 33.51 O HETATM 1858 O HOH 20 1.971 -32.523 18.549 1.00 28.43 O HETATM 1859 O HOH 21 0.422 -35.922 20.266 1.00 26.71 O HETATM 1860 O HOH 22 -8.863 -15.118 -2.982 1.00 39.89 O HETATM 1861 O23 DOG A 23 -12.024 -30.551 9.619 1.00 -0.39 O HETATM 1862 C23 DOG A 23 -11.726 -31.709 9.527 1.00 0.22 C HETATM 1863 C22 DOG A 23 -12.298 -32.833 10.197 1.00 0.00 C HETATM 1864 C20 DOG A 23 -11.717 -33.853 9.714 1.00 -0.01 C HETATM 1865 C21 DOG A 23 -10.814 -33.365 8.667 1.00 0.12 C HETATM 1866 O21 DOG A 23 -11.027 -32.086 8.549 1.00 -0.27 O HETATM 1867 H2 DOG A 23 -9.768 -33.549 8.954 1.00 0.09 H HETATM 1868 H3 DOG A 23 -11.028 -33.873 7.715 1.00 0.09 H HETATM 1869 C17 DOG A 23 -12.132 -35.214 10.006 1.00 0.02 C HETATM 1870 C16 DOG A 23 -12.558 -35.895 8.784 1.00 -0.03 C HETATM 1871 C15 DOG A 23 -11.893 -37.228 8.807 1.00 -0.02 C HETATM 1872 C14 DOG A 23 -10.589 -36.924 9.415 1.00 0.08 C HETATM 1873 C13 DOG A 23 -10.982 -36.077 10.605 1.00 0.04 C HETATM 1874 C18 DOG A 23 -9.822 -35.287 11.196 1.00 -0.05 C HETATM 1875 H7 DOG A 23 -10.179 -34.697 12.053 1.00 0.02 H HETATM 1876 H8 DOG A 23 -9.411 -34.611 10.431 1.00 0.02 H HETATM 1877 H9 DOG A 23 -9.038 -35.982 11.530 1.00 0.02 H HETATM 1878 C12 DOG A 23 -11.585 -37.011 11.705 1.00 0.07 C HETATM 1879 O12 DOG A 23 -11.898 -36.256 12.756 1.00 -0.39 O HETATM 1880 H11 DOG A 23 -12.534 -35.600 12.495 1.00 0.21 H HETATM 1881 C11 DOG A 23 -10.602 -38.050 12.128 1.00 -0.02 C HETATM 1882 C9 DOG A 23 -10.271 -38.942 10.973 1.00 -0.03 C HETATM 1883 C8 DOG A 23 -9.696 -38.145 9.823 1.00 -0.01 C HETATM 1884 C7 DOG A 23 -9.428 -39.014 8.631 1.00 -0.05 C HETATM 1885 C6 DOG A 23 -8.506 -40.095 8.964 1.00 -0.05 C HETATM 1886 C5 DOG A 23 -8.994 -40.949 10.144 1.00 -0.03 C HETATM 1887 C10 DOG A 23 -9.333 -40.101 11.367 1.00 -0.03 C HETATM 1888 C19 DOG A 23 -8.101 -39.598 11.909 1.00 -0.06 C HETATM 1889 H21 DOG A 23 -7.449 -40.441 12.182 1.00 0.02 H HETATM 1890 H22 DOG A 23 -8.313 -38.994 12.803 1.00 0.02 H HETATM 1891 H23 DOG A 23 -7.597 -38.974 11.156 1.00 0.02 H HETATM 1892 C1 DOG A 23 -9.993 -40.976 12.406 1.00 -0.04 C HETATM 1893 C2 DOG A 23 -11.191 -41.609 11.893 1.00 -0.03 C HETATM 1894 C3 DOG A 23 -10.825 -42.560 10.819 1.00 0.06 C HETATM 1895 C4 DOG A 23 -10.161 -41.780 9.696 1.00 -0.02 C HETATM 1896 H27 DOG A 23 -9.807 -42.495 8.939 1.00 0.03 H HETATM 1897 H28 DOG A 23 -10.911 -41.112 9.247 1.00 0.03 H HETATM 1898 O32 DOG A 23 -9.982 -43.584 11.270 1.00 -0.39 O HETATM 1899 H30 DOG A 23 -10.412 -44.061 11.970 1.00 0.21 H HETATM 1900 H29 DOG A 23 -11.746 -43.022 10.435 1.00 0.06 H HETATM 1901 H31 DOG A 23 -11.696 -42.151 12.706 1.00 0.03 H HETATM 1902 H32 DOG A 23 -11.867 -40.841 11.488 1.00 0.03 H HETATM 1903 H33 DOG A 23 -10.261 -40.357 13.275 1.00 0.03 H HETATM 1904 H34 DOG A 23 -9.283 -41.757 12.717 1.00 0.03 H HETATM 1905 H24 DOG A 23 -8.180 -41.631 10.431 1.00 0.03 H HETATM 1906 H25 DOG A 23 -7.531 -39.658 9.226 1.00 0.03 H HETATM 1907 H26 DOG A 23 -8.392 -40.744 8.083 1.00 0.03 H HETATM 1908 H16 DOG A 23 -8.988 -38.401 7.831 1.00 0.03 H HETATM 1909 H17 DOG A 23 -10.377 -39.447 8.281 1.00 0.03 H HETATM 1910 H15 DOG A 23 -8.730 -37.743 10.163 1.00 0.03 H HETATM 1911 H18 DOG A 23 -11.214 -39.390 10.627 1.00 0.03 H HETATM 1912 H19 DOG A 23 -11.035 -38.652 12.941 1.00 0.03 H HETATM 1913 H20 DOG A 23 -9.684 -37.559 12.484 1.00 0.03 H HETATM 1914 H10 DOG A 23 -12.488 -37.503 11.314 1.00 0.06 H HETATM 1915 O14 DOG A 23 -9.929 -36.199 8.566 1.00 -0.39 O HETATM 1916 H14 DOG A 23 -9.078 -35.984 8.929 1.00 0.21 H HETATM 1917 H12 DOG A 23 -11.773 -37.630 7.790 1.00 0.03 H HETATM 1918 H13 DOG A 23 -12.460 -37.944 9.420 1.00 0.03 H HETATM 1919 H5 DOG A 23 -12.242 -35.325 7.898 1.00 0.03 H HETATM 1920 H6 DOG A 23 -13.652 -36.013 8.773 1.00 0.03 H HETATM 1921 H4 DOG A 23 -12.968 -35.177 10.720 1.00 0.06 H HETATM 1922 H1 DOG A 23 -13.072 -32.818 10.963 1.00 0.03 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1819 1808 1820 1825 1826 CONECT 1825 1819 CONECT 1826 1819 CONECT 1861 1862 CONECT 1862 1861 1863 1866 CONECT 1863 1862 1864 1922 CONECT 1864 1863 1865 1869 CONECT 1865 1864 1866 1867 1868 CONECT 1866 1862 1865 CONECT 1867 1865 CONECT 1868 1865 CONECT 1869 1864 1870 1873 1921 CONECT 1870 1869 1871 1919 1920 CONECT 1871 1870 1872 1917 1918 CONECT 1872 1871 1873 1883 1915 CONECT 1873 1869 1872 1874 1878 CONECT 1874 1873 1875 1876 1877 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1874 CONECT 1878 1873 1879 1881 1914 CONECT 1879 1878 1880 CONECT 1880 1879 CONECT 1881 1878 1882 1912 1913 CONECT 1882 1881 1883 1887 1911 CONECT 1883 1872 1882 1884 1910 CONECT 1884 1883 1885 1908 1909 CONECT 1885 1884 1886 1906 1907 CONECT 1886 1885 1887 1895 1905 CONECT 1887 1882 1886 1888 1892 CONECT 1888 1887 1889 1890 1891 CONECT 1889 1888 CONECT 1890 1888 CONECT 1891 1888 CONECT 1892 1887 1893 1903 1904 CONECT 1893 1892 1894 1901 1902 CONECT 1894 1893 1895 1898 1900 CONECT 1895 1886 1894 1896 1897 CONECT 1896 1895 CONECT 1897 1895 CONECT 1898 1894 1899 CONECT 1899 1898 CONECT 1900 1894 CONECT 1901 1893 CONECT 1902 1893 CONECT 1903 1892 CONECT 1904 1892 CONECT 1905 1886 CONECT 1906 1885 CONECT 1907 1885 CONECT 1908 1884 CONECT 1909 1884 CONECT 1910 1883 CONECT 1911 1882 CONECT 1912 1881 CONECT 1913 1881 CONECT 1914 1878 CONECT 1915 1872 1916 CONECT 1916 1915 CONECT 1917 1871 CONECT 1918 1871 CONECT 1919 1870 CONECT 1920 1870 CONECT 1921 1869 CONECT 1922 1863 MASTER 0 0 0 0 0 0 0 0 1921 1 69 10 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4j8t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j9a
RCSB PDB
PDBbind
137aa, >4J9A_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1lke
RCSB PDB
PDBbind
DOG
4j9a
RCSB PDB
PDBbind
DOG
Entry Information
PDB ID
4j8t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Engineered Digoxigenin binder protein DIG10.2 (mutation)
Ligand Name
DOG
EC.Number
E.C.-.-.-.-
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
Kd=168nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Nature Vol. 501: pp. 212-216
Ligand Properties
Formula
C
2
3
H
3
4
O
5
Molecular Weight
390.513
Exact Mass
390.241
No. of atoms
62
No. of bonds
66
Polar Surface Area
86.99
LOGP Value
2.00 (
Computed with XLOGP3
)
2.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
InChI String
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9HYR3
Entrez Gene ID
NCBI Entrez Gene ID:
882497
ASD
Information of known allosteric effects of PDB entries
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