Browse entries in the PDBbind-CN Database
HEADER 1FKG_COMPLEX COMPND 1FKG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU HET SB A 3 68 ATOM 1 N GLY A 1 -15.900 15.577 9.649 1.00 6.24 N ATOM 2 CA GLY A 1 -15.595 15.783 8.240 1.00 5.48 C ATOM 3 C GLY A 1 -16.938 15.809 7.517 1.00 6.33 C ATOM 4 O GLY A 1 -17.954 16.035 8.175 1.00 5.75 O ATOM 5 HA3 GLY A 1 -14.978 14.968 7.863 1.00 0.00 H ATOM 6 HA2 GLY A 1 -15.071 16.729 8.100 1.00 0.00 H ATOM 7 HN3 GLY A 1 -16.407 14.676 9.765 1.00 0.00 H ATOM 8 HN2 GLY A 1 -16.496 16.358 9.991 1.00 0.00 H ATOM 9 HN1 GLY A 1 -15.015 15.551 10.194 1.00 0.00 H ATOM 10 N VAL A 2 -16.919 15.555 6.206 1.00 5.47 N ATOM 11 CA VAL A 2 -18.094 15.450 5.347 1.00 4.13 C ATOM 12 C VAL A 2 -17.868 14.097 4.677 1.00 4.43 C ATOM 13 O VAL A 2 -16.742 13.652 4.423 1.00 5.81 O ATOM 14 CB VAL A 2 -18.106 16.674 4.369 1.00 3.49 C ATOM 15 CG1 VAL A 2 -16.762 16.855 3.688 1.00 4.13 C ATOM 16 CG2 VAL A 2 -19.164 16.460 3.286 1.00 6.35 C ATOM 17 HA VAL A 2 -19.068 15.484 5.836 1.00 0.00 H ATOM 18 HB VAL A 2 -18.329 17.563 4.959 1.00 0.00 H ATOM 19 HG11 VAL A 2 -15.994 17.023 4.443 1.00 0.00 H ATOM 20 HG12 VAL A 2 -16.522 15.958 3.117 1.00 0.00 H ATOM 21 HG13 VAL A 2 -16.808 17.713 3.018 1.00 0.00 H ATOM 22 HG21 VAL A 2 -18.932 15.553 2.727 1.00 0.00 H ATOM 23 HG22 VAL A 2 -20.144 16.360 3.752 1.00 0.00 H ATOM 24 HG23 VAL A 2 -19.167 17.314 2.609 1.00 0.00 H ATOM 25 H VAL A 2 -15.989 15.421 5.760 1.00 0.00 H ATOM 26 N GLN A 3 -18.935 13.378 4.481 1.00 4.31 N ATOM 27 CA GLN A 3 -18.952 12.083 3.840 1.00 5.50 C ATOM 28 C GLN A 3 -19.810 12.333 2.592 1.00 5.28 C ATOM 29 O GLN A 3 -20.900 12.891 2.728 1.00 5.22 O ATOM 30 CB GLN A 3 -19.622 11.189 4.790 1.00 7.13 C ATOM 31 CG GLN A 3 -19.990 9.842 4.279 1.00 11.82 C ATOM 32 CD GLN A 3 -20.718 9.153 5.407 1.00 15.85 C ATOM 33 OE1 GLN A 3 -20.165 9.080 6.510 1.00 16.98 O ATOM 34 NE2 GLN A 3 -21.941 8.676 5.208 1.00 16.20 N ATOM 35 HA GLN A 3 -17.988 11.651 3.573 1.00 0.00 H ATOM 36 HB2 GLN A 3 -18.957 11.051 5.642 1.00 0.00 H ATOM 37 HB3 GLN A 3 -20.537 11.681 5.121 1.00 0.00 H ATOM 38 HG2 GLN A 3 -20.639 9.931 3.408 1.00 0.00 H ATOM 39 HG3 GLN A 3 -19.095 9.282 4.008 1.00 0.00 H ATOM 40 HE22 GLN A 3 -22.382 8.751 4.269 1.00 0.00 H ATOM 41 HE21 GLN A 3 -22.458 8.227 5.991 1.00 0.00 H ATOM 42 H GLN A 3 -19.843 13.764 4.810 1.00 0.00 H ATOM 43 N VAL A 4 -19.370 11.947 1.406 1.00 5.58 N ATOM 44 CA VAL A 4 -20.055 12.211 0.141 1.00 3.08 C ATOM 45 C VAL A 4 -20.572 10.824 -0.290 1.00 3.85 C ATOM 46 O VAL A 4 -19.788 9.865 -0.413 1.00 2.22 O ATOM 47 CB VAL A 4 -19.015 12.795 -0.914 1.00 2.68 C ATOM 48 CG1 VAL A 4 -19.733 12.939 -2.253 1.00 2.05 C ATOM 49 CG2 VAL A 4 -18.404 14.167 -0.492 1.00 2.28 C ATOM 50 HA VAL A 4 -20.860 12.942 0.220 1.00 0.00 H ATOM 51 HB VAL A 4 -18.177 12.100 -0.978 1.00 0.00 H ATOM 52 HG11 VAL A 4 -20.092 11.963 -2.578 1.00 0.00 H ATOM 53 HG12 VAL A 4 -20.577 13.619 -2.140 1.00 0.00 H ATOM 54 HG13 VAL A 4 -19.040 13.338 -2.994 1.00 0.00 H ATOM 55 HG21 VAL A 4 -19.203 14.900 -0.380 1.00 0.00 H ATOM 56 HG22 VAL A 4 -17.879 14.053 0.456 1.00 0.00 H ATOM 57 HG23 VAL A 4 -17.705 14.503 -1.258 1.00 0.00 H ATOM 58 H VAL A 4 -18.475 11.419 1.370 1.00 0.00 H ATOM 59 N GLU A 5 -21.873 10.605 -0.399 1.00 2.00 N ATOM 60 CA GLU A 5 -22.386 9.320 -0.855 1.00 3.34 C ATOM 61 C GLU A 5 -23.170 9.640 -2.112 1.00 2.00 C ATOM 62 O GLU A 5 -24.041 10.511 -2.092 1.00 2.94 O ATOM 63 CB GLU A 5 -23.318 8.685 0.183 1.00 5.96 C ATOM 64 CG GLU A 5 -22.759 8.825 1.638 1.00 12.28 C ATOM 65 CD GLU A 5 -23.748 9.475 2.629 1.00 12.80 C ATOM 66 OE1 GLU A 5 -24.632 8.719 3.042 1.00 11.78 O ATOM 67 OE2 GLU A 5 -23.631 10.679 2.980 1.00 10.77 O ATOM 68 HA GLU A 5 -21.577 8.609 -1.023 1.00 0.00 H ATOM 69 HB2 GLU A 5 -24.290 9.176 0.131 1.00 0.00 H ATOM 70 HB3 GLU A 5 -23.434 7.626 -0.049 1.00 0.00 H ATOM 71 HG2 GLU A 5 -22.508 7.830 2.006 1.00 0.00 H ATOM 72 HG3 GLU A 5 -21.857 9.436 1.602 1.00 0.00 H ATOM 73 H GLU A 5 -22.541 11.364 -0.155 1.00 0.00 H ATOM 74 N THR A 6 -22.894 9.030 -3.248 1.00 2.69 N ATOM 75 CA THR A 6 -23.589 9.335 -4.499 1.00 2.32 C ATOM 76 C THR A 6 -25.021 8.765 -4.625 1.00 2.06 C ATOM 77 O THR A 6 -25.317 7.640 -4.225 1.00 2.01 O ATOM 78 CB THR A 6 -22.659 8.822 -5.613 1.00 3.24 C ATOM 79 OG1 THR A 6 -21.380 9.450 -5.404 1.00 2.71 O ATOM 80 CG2 THR A 6 -23.245 9.036 -6.995 1.00 2.00 C ATOM 81 HA THR A 6 -23.770 10.408 -4.558 1.00 0.00 H ATOM 82 HB THR A 6 -22.537 7.740 -5.562 1.00 0.00 H ATOM 83 HG1 THR A 6 -21.484 10.433 -5.456 1.00 0.00 H ATOM 84 HG23 THR A 6 -24.207 8.529 -7.063 1.00 0.00 H ATOM 85 HG21 THR A 6 -23.383 10.103 -7.169 1.00 0.00 H ATOM 86 HG22 THR A 6 -22.565 8.629 -7.744 1.00 0.00 H ATOM 87 H THR A 6 -22.151 8.302 -3.255 1.00 0.00 H ATOM 88 N ILE A 7 -25.927 9.559 -5.190 1.00 2.06 N ATOM 89 CA ILE A 7 -27.296 9.176 -5.565 1.00 3.36 C ATOM 90 C ILE A 7 -27.266 8.944 -7.094 1.00 3.28 C ATOM 91 O ILE A 7 -27.661 7.877 -7.572 1.00 2.33 O ATOM 92 CB ILE A 7 -28.284 10.329 -5.174 1.00 2.81 C ATOM 93 CG1 ILE A 7 -28.207 10.470 -3.650 1.00 2.08 C ATOM 94 CG2 ILE A 7 -29.752 10.068 -5.610 1.00 2.00 C ATOM 95 CD1 ILE A 7 -29.002 11.644 -3.052 1.00 4.79 C ATOM 96 HA ILE A 7 -27.636 8.277 -5.051 1.00 0.00 H ATOM 97 HB ILE A 7 -27.987 11.239 -5.695 1.00 0.00 H ATOM 98 HG12 ILE A 7 -28.585 9.548 -3.208 1.00 0.00 H ATOM 99 HG13 ILE A 7 -27.160 10.600 -3.377 1.00 0.00 H ATOM 100 HD11 ILE A 7 -28.631 12.581 -3.467 1.00 0.00 H ATOM 101 HD12 ILE A 7 -30.058 11.529 -3.298 1.00 0.00 H ATOM 102 HD13 ILE A 7 -28.878 11.651 -1.969 1.00 0.00 H ATOM 103 HG21 ILE A 7 -29.794 9.958 -6.694 1.00 0.00 H ATOM 104 HG22 ILE A 7 -30.114 9.155 -5.136 1.00 0.00 H ATOM 105 HG23 ILE A 7 -30.375 10.909 -5.305 1.00 0.00 H ATOM 106 H ILE A 7 -25.641 10.540 -5.384 1.00 0.00 H ATOM 107 N SER A 8 -26.766 9.887 -7.904 1.00 2.13 N ATOM 108 CA SER A 8 -26.662 9.705 -9.346 1.00 5.82 C ATOM 109 C SER A 8 -25.310 10.289 -9.756 1.00 3.98 C ATOM 110 O SER A 8 -24.876 11.312 -9.200 1.00 2.39 O ATOM 111 CB SER A 8 -27.736 10.469 -10.115 1.00 4.18 C ATOM 112 OG SER A 8 -28.993 10.059 -9.581 1.00 11.59 O ATOM 113 HA SER A 8 -26.777 8.645 -9.575 1.00 0.00 H ATOM 114 HB2 SER A 8 -27.682 10.227 -11.177 1.00 0.00 H ATOM 115 HB3 SER A 8 -27.603 11.542 -9.981 1.00 0.00 H ATOM 116 HG SER A 8 -29.722 10.533 -10.054 1.00 0.00 H ATOM 117 H SER A 8 -26.440 10.783 -7.488 1.00 0.00 H ATOM 118 N PRO A 9 -24.602 9.617 -10.658 1.00 4.08 N ATOM 119 CA PRO A 9 -23.257 10.011 -11.091 1.00 2.14 C ATOM 120 C PRO A 9 -23.265 11.311 -11.878 1.00 2.33 C ATOM 121 O PRO A 9 -24.275 11.640 -12.504 1.00 2.00 O ATOM 122 CB PRO A 9 -22.777 8.853 -11.904 1.00 2.10 C ATOM 123 CG PRO A 9 -23.671 7.721 -11.495 1.00 4.55 C ATOM 124 CD PRO A 9 -25.019 8.359 -11.267 1.00 3.80 C ATOM 125 HA PRO A 9 -22.597 10.218 -10.249 1.00 0.00 H ATOM 126 HD3 PRO A 9 -25.555 8.520 -12.203 1.00 0.00 H ATOM 127 HD2 PRO A 9 -25.638 7.768 -10.592 1.00 0.00 H ATOM 128 HG3 PRO A 9 -23.307 7.255 -10.580 1.00 0.00 H ATOM 129 HG2 PRO A 9 -23.729 6.972 -12.285 1.00 0.00 H ATOM 130 HB2 PRO A 9 -22.878 9.060 -12.969 1.00 0.00 H ATOM 131 HB3 PRO A 9 -21.736 8.625 -11.676 1.00 0.00 H ATOM 132 N GLY A 10 -22.129 11.994 -11.853 1.00 2.00 N ATOM 133 CA GLY A 10 -21.888 13.213 -12.604 1.00 2.00 C ATOM 134 C GLY A 10 -21.090 12.874 -13.872 1.00 2.00 C ATOM 135 O GLY A 10 -21.027 11.708 -14.266 1.00 2.00 O ATOM 136 HA3 GLY A 10 -21.320 13.913 -11.991 1.00 0.00 H ATOM 137 HA2 GLY A 10 -22.840 13.665 -12.882 1.00 0.00 H ATOM 138 H GLY A 10 -21.359 11.632 -11.255 1.00 0.00 H ATOM 139 N ASP A 11 -20.416 13.793 -14.555 1.00 2.00 N ATOM 140 CA ASP A 11 -19.719 13.392 -15.787 1.00 2.83 C ATOM 141 C ASP A 11 -18.346 12.765 -15.526 1.00 2.73 C ATOM 142 O ASP A 11 -17.643 12.304 -16.437 1.00 2.14 O ATOM 143 CB ASP A 11 -19.554 14.601 -16.736 1.00 2.14 C ATOM 144 CG ASP A 11 -18.631 15.710 -16.255 1.00 2.06 C ATOM 145 OD1 ASP A 11 -18.172 15.702 -15.126 1.00 3.24 O ATOM 146 OD2 ASP A 11 -18.358 16.597 -17.038 1.00 2.43 O ATOM 147 HA ASP A 11 -20.344 12.630 -16.252 1.00 0.00 H ATOM 148 HB2 ASP A 11 -19.163 14.230 -17.683 1.00 0.00 H ATOM 149 HB3 ASP A 11 -20.541 15.035 -16.897 1.00 0.00 H ATOM 150 H ASP A 11 -20.382 14.778 -14.225 1.00 0.00 H ATOM 151 N GLY A 12 -17.899 12.845 -14.266 1.00 2.91 N ATOM 152 CA GLY A 12 -16.579 12.325 -13.899 1.00 3.38 C ATOM 153 C GLY A 12 -15.434 13.170 -14.390 1.00 2.10 C ATOM 154 O GLY A 12 -14.308 12.717 -14.277 1.00 2.19 O ATOM 155 HA3 GLY A 12 -16.474 11.325 -14.321 1.00 0.00 H ATOM 156 HA2 GLY A 12 -16.522 12.267 -12.812 1.00 0.00 H ATOM 157 H GLY A 12 -18.498 13.283 -13.537 1.00 0.00 H ATOM 158 N ARG A 13 -15.611 14.376 -14.926 1.00 3.67 N ATOM 159 CA ARG A 13 -14.478 15.153 -15.419 1.00 3.74 C ATOM 160 C ARG A 13 -14.531 16.645 -15.057 1.00 2.30 C ATOM 161 O ARG A 13 -13.492 17.323 -15.061 1.00 2.00 O ATOM 162 CB ARG A 13 -14.386 15.050 -16.969 1.00 8.46 C ATOM 163 CG ARG A 13 -14.779 13.722 -17.636 1.00 13.37 C ATOM 164 CD ARG A 13 -14.774 13.703 -19.169 1.00 17.99 C ATOM 165 NE ARG A 13 -13.415 13.410 -19.636 1.00 23.58 N ATOM 166 CZ ARG A 13 -13.082 12.197 -20.134 1.00 25.35 C ATOM 167 NH1 ARG A 13 -13.992 11.217 -20.274 1.00 26.59 N ATOM 168 NH2 ARG A 13 -11.823 11.979 -20.534 1.00 25.67 N ATOM 169 HA ARG A 13 -13.606 14.721 -14.929 1.00 0.00 H ATOM 170 HB2 ARG A 13 -15.033 15.823 -17.383 1.00 0.00 H ATOM 171 HB3 ARG A 13 -13.352 15.257 -17.246 1.00 0.00 H ATOM 172 HG2 ARG A 13 -14.081 12.958 -17.292 1.00 0.00 H ATOM 173 HG3 ARG A 13 -15.786 13.469 -17.304 1.00 0.00 H ATOM 174 HD2 ARG A 13 -15.090 14.675 -19.548 1.00 0.00 H ATOM 175 HD3 ARG A 13 -15.458 12.934 -19.528 1.00 0.00 H ATOM 176 HE ARG A 13 -12.689 14.153 -19.583 1.00 0.00 H ATOM 177 HH12 ARG A 13 -13.707 10.294 -20.660 1.00 0.00 H ATOM 178 HH11 ARG A 13 -14.981 11.382 -19.996 1.00 0.00 H ATOM 179 HH22 ARG A 13 -11.553 11.051 -20.919 1.00 0.00 H ATOM 180 HH21 ARG A 13 -11.115 12.737 -20.460 1.00 0.00 H ATOM 181 H ARG A 13 -16.571 14.770 -14.994 1.00 0.00 H ATOM 182 N THR A 14 -15.705 17.254 -14.843 1.00 2.21 N ATOM 183 CA THR A 14 -15.830 18.701 -14.578 1.00 2.87 C ATOM 184 C THR A 14 -16.130 18.924 -13.100 1.00 3.02 C ATOM 185 O THR A 14 -17.281 18.775 -12.663 1.00 2.00 O ATOM 186 CB THR A 14 -16.982 19.319 -15.440 1.00 2.06 C ATOM 187 OG1 THR A 14 -16.808 18.699 -16.697 1.00 2.22 O ATOM 188 CG2 THR A 14 -16.974 20.814 -15.679 1.00 2.06 C ATOM 189 HA THR A 14 -14.891 19.187 -14.843 1.00 0.00 H ATOM 190 HB THR A 14 -17.916 19.153 -14.903 1.00 0.00 H ATOM 191 HG1 THR A 14 -16.894 17.718 -16.595 1.00 0.00 H ATOM 192 HG23 THR A 14 -17.106 21.333 -14.730 1.00 0.00 H ATOM 193 HG21 THR A 14 -16.022 21.104 -16.124 1.00 0.00 H ATOM 194 HG22 THR A 14 -17.788 21.077 -16.355 1.00 0.00 H ATOM 195 H THR A 14 -16.571 16.679 -14.865 1.00 0.00 H ATOM 196 N PHE A 15 -15.042 19.150 -12.344 1.00 2.37 N ATOM 197 CA PHE A 15 -15.128 19.385 -10.896 1.00 3.88 C ATOM 198 C PHE A 15 -14.931 20.878 -10.599 1.00 2.49 C ATOM 199 O PHE A 15 -14.198 21.559 -11.350 1.00 3.42 O ATOM 200 CB PHE A 15 -14.078 18.563 -10.186 1.00 2.61 C ATOM 201 CG PHE A 15 -14.235 17.051 -10.372 1.00 4.70 C ATOM 202 CD1 PHE A 15 -15.033 16.334 -9.512 1.00 2.42 C ATOM 203 CD2 PHE A 15 -13.568 16.386 -11.406 1.00 3.62 C ATOM 204 CE1 PHE A 15 -15.171 14.973 -9.671 1.00 4.21 C ATOM 205 CE2 PHE A 15 -13.723 15.023 -11.535 1.00 2.04 C ATOM 206 CZ PHE A 15 -14.516 14.324 -10.674 1.00 3.90 C ATOM 207 HA PHE A 15 -16.112 19.085 -10.537 1.00 0.00 H ATOM 208 HB2 PHE A 15 -13.099 18.855 -10.567 1.00 0.00 H ATOM 209 HB3 PHE A 15 -14.133 18.784 -9.120 1.00 0.00 H ATOM 210 HD2 PHE A 15 -12.934 16.938 -12.100 1.00 0.00 H ATOM 211 HE2 PHE A 15 -13.205 14.496 -12.336 1.00 0.00 H ATOM 212 HZ PHE A 15 -14.626 13.246 -10.788 1.00 0.00 H ATOM 213 HE1 PHE A 15 -15.809 14.411 -8.989 1.00 0.00 H ATOM 214 HD1 PHE A 15 -15.557 16.843 -8.703 1.00 0.00 H ATOM 215 H PHE A 15 -14.107 19.159 -12.799 1.00 0.00 H ATOM 216 N PRO A 16 -15.642 21.462 -9.628 1.00 2.05 N ATOM 217 CA PRO A 16 -15.600 22.898 -9.374 1.00 2.01 C ATOM 218 C PRO A 16 -14.246 23.305 -8.829 1.00 2.69 C ATOM 219 O PRO A 16 -13.592 22.562 -8.092 1.00 2.00 O ATOM 220 CB PRO A 16 -16.758 23.143 -8.407 1.00 2.17 C ATOM 221 CG PRO A 16 -17.103 21.771 -7.812 1.00 2.94 C ATOM 222 CD PRO A 16 -16.776 20.833 -8.932 1.00 2.00 C ATOM 223 HA PRO A 16 -15.717 23.507 -10.271 1.00 0.00 H ATOM 224 HD3 PRO A 16 -16.494 19.854 -8.544 1.00 0.00 H ATOM 225 HD2 PRO A 16 -17.627 20.725 -9.604 1.00 0.00 H ATOM 226 HG3 PRO A 16 -18.158 21.712 -7.545 1.00 0.00 H ATOM 227 HG2 PRO A 16 -16.495 21.560 -6.932 1.00 0.00 H ATOM 228 HB2 PRO A 16 -16.456 23.833 -7.620 1.00 0.00 H ATOM 229 HB3 PRO A 16 -17.617 23.553 -8.939 1.00 0.00 H ATOM 230 N LYS A 17 -13.861 24.505 -9.201 1.00 2.05 N ATOM 231 CA LYS A 17 -12.584 25.071 -8.833 1.00 2.82 C ATOM 232 C LYS A 17 -12.867 26.351 -8.082 1.00 2.65 C ATOM 233 O LYS A 17 -13.933 26.952 -8.264 1.00 2.00 O ATOM 234 CB LYS A 17 -11.784 25.368 -10.122 1.00 6.99 C ATOM 235 CG LYS A 17 -11.564 24.101 -10.950 1.00 10.61 C ATOM 236 CD LYS A 17 -10.358 23.388 -10.351 1.00 14.13 C ATOM 237 CE LYS A 17 -10.456 21.861 -10.201 1.00 14.97 C ATOM 238 NZ LYS A 17 -10.932 21.494 -8.874 1.00 15.96 N ATOM 239 HA LYS A 17 -12.002 24.391 -8.211 1.00 0.00 H ATOM 240 HB2 LYS A 17 -12.335 26.092 -10.722 1.00 0.00 H ATOM 241 HB3 LYS A 17 -10.815 25.786 -9.849 1.00 0.00 H ATOM 242 HG2 LYS A 17 -12.444 23.460 -10.897 1.00 0.00 H ATOM 243 HG3 LYS A 17 -11.368 24.361 -11.990 1.00 0.00 H ATOM 244 HD2 LYS A 17 -9.499 23.602 -10.987 1.00 0.00 H ATOM 245 HD3 LYS A 17 -10.187 23.806 -9.359 1.00 0.00 H ATOM 246 HE2 LYS A 17 -9.470 21.423 -10.360 1.00 0.00 H ATOM 247 HE3 LYS A 17 -11.149 21.473 -10.948 1.00 0.00 H ATOM 248 HZ1 LYS A 17 -10.272 21.858 -8.157 1.00 0.00 H ATOM 249 HZ2 LYS A 17 -11.875 21.905 -8.719 1.00 0.00 H ATOM 250 HZ3 LYS A 17 -10.988 20.458 -8.801 1.00 0.00 H ATOM 251 H LYS A 17 -14.505 25.073 -9.787 1.00 0.00 H ATOM 252 N ARG A 18 -11.921 26.780 -7.244 1.00 3.00 N ATOM 253 CA ARG A 18 -11.996 28.042 -6.541 1.00 3.17 C ATOM 254 C ARG A 18 -12.273 29.237 -7.483 1.00 4.58 C ATOM 255 O ARG A 18 -11.644 29.461 -8.530 1.00 4.56 O ATOM 256 CB ARG A 18 -10.700 28.317 -5.796 1.00 2.35 C ATOM 257 CG ARG A 18 -10.921 29.349 -4.689 1.00 4.98 C ATOM 258 CD ARG A 18 -9.659 29.984 -4.104 1.00 7.29 C ATOM 259 NE ARG A 18 -8.731 30.409 -5.145 1.00 11.65 N ATOM 260 CZ ARG A 18 -7.624 31.177 -4.981 1.00 11.69 C ATOM 261 NH1 ARG A 18 -7.237 31.702 -3.793 1.00 8.81 N ATOM 262 NH2 ARG A 18 -6.917 31.414 -6.094 1.00 11.68 N ATOM 263 HA ARG A 18 -12.830 27.949 -5.845 1.00 0.00 H ATOM 264 HB2 ARG A 18 -10.338 27.389 -5.353 1.00 0.00 H ATOM 265 HB3 ARG A 18 -9.958 28.698 -6.497 1.00 0.00 H ATOM 266 HG2 ARG A 18 -11.539 30.149 -5.097 1.00 0.00 H ATOM 267 HG3 ARG A 18 -11.455 28.857 -3.876 1.00 0.00 H ATOM 268 HD2 ARG A 18 -9.162 29.255 -3.464 1.00 0.00 H ATOM 269 HD3 ARG A 18 -9.944 30.852 -3.510 1.00 0.00 H ATOM 270 HE ARG A 18 -8.939 30.091 -6.113 1.00 0.00 H ATOM 271 HH12 ARG A 18 -6.376 32.283 -3.737 1.00 0.00 H ATOM 272 HH11 ARG A 18 -7.801 31.524 -2.937 1.00 0.00 H ATOM 273 HH22 ARG A 18 -6.055 31.995 -6.049 1.00 0.00 H ATOM 274 HH21 ARG A 18 -7.230 31.017 -7.003 1.00 0.00 H ATOM 275 H ARG A 18 -11.088 26.177 -7.089 1.00 0.00 H ATOM 276 N GLY A 19 -13.249 30.039 -7.119 1.00 3.63 N ATOM 277 CA GLY A 19 -13.615 31.148 -7.931 1.00 3.22 C ATOM 278 C GLY A 19 -14.768 30.837 -8.862 1.00 2.00 C ATOM 279 O GLY A 19 -15.357 31.781 -9.403 1.00 2.09 O ATOM 280 HA3 GLY A 19 -12.753 31.442 -8.530 1.00 0.00 H ATOM 281 HA2 GLY A 19 -13.904 31.975 -7.282 1.00 0.00 H ATOM 282 H GLY A 19 -13.758 29.861 -6.230 1.00 0.00 H ATOM 283 N GLN A 20 -15.134 29.596 -9.061 1.00 2.68 N ATOM 284 CA GLN A 20 -16.306 29.282 -9.862 1.00 2.00 C ATOM 285 C GLN A 20 -17.577 29.300 -9.050 1.00 2.70 C ATOM 286 O GLN A 20 -17.554 29.005 -7.836 1.00 2.45 O ATOM 287 CB GLN A 20 -16.202 27.902 -10.499 1.00 3.16 C ATOM 288 CG GLN A 20 -15.075 27.837 -11.576 1.00 2.12 C ATOM 289 CD GLN A 20 -15.056 26.505 -12.319 1.00 4.98 C ATOM 290 OE1 GLN A 20 -14.866 25.430 -11.755 1.00 5.90 O ATOM 291 NE2 GLN A 20 -15.326 26.494 -13.614 1.00 4.69 N ATOM 292 HA GLN A 20 -16.342 30.056 -10.628 1.00 0.00 H ATOM 293 HB2 GLN A 20 -15.987 27.170 -9.720 1.00 0.00 H ATOM 294 HB3 GLN A 20 -17.154 27.660 -10.971 1.00 0.00 H ATOM 295 HG2 GLN A 20 -15.234 28.638 -12.298 1.00 0.00 H ATOM 296 HG3 GLN A 20 -14.112 27.978 -11.084 1.00 0.00 H ATOM 297 HE22 GLN A 20 -15.491 27.388 -14.118 1.00 0.00 H ATOM 298 HE21 GLN A 20 -15.373 25.591 -14.128 1.00 0.00 H ATOM 299 H GLN A 20 -14.579 28.824 -8.640 1.00 0.00 H ATOM 300 N THR A 21 -18.661 29.657 -9.734 1.00 2.00 N ATOM 301 CA THR A 21 -19.991 29.613 -9.137 1.00 2.11 C ATOM 302 C THR A 21 -20.669 28.247 -9.354 1.00 3.07 C ATOM 303 O THR A 21 -20.838 27.773 -10.498 1.00 2.00 O ATOM 304 CB THR A 21 -20.862 30.729 -9.732 1.00 2.03 C ATOM 305 OG1 THR A 21 -20.211 31.957 -9.326 1.00 2.00 O ATOM 306 CG2 THR A 21 -22.338 30.693 -9.282 1.00 2.03 C ATOM 307 HA THR A 21 -19.882 29.762 -8.063 1.00 0.00 H ATOM 308 HB THR A 21 -20.930 30.618 -10.814 1.00 0.00 H ATOM 309 HG1 THR A 21 -19.290 31.976 -9.688 1.00 0.00 H ATOM 310 HG23 THR A 21 -22.792 29.756 -9.605 1.00 0.00 H ATOM 311 HG21 THR A 21 -22.387 30.766 -8.196 1.00 0.00 H ATOM 312 HG22 THR A 21 -22.873 31.531 -9.729 1.00 0.00 H ATOM 313 H THR A 21 -18.557 29.975 -10.719 1.00 0.00 H ATOM 314 N CYS A 22 -21.005 27.579 -8.244 1.00 2.00 N ATOM 315 CA CYS A 22 -21.720 26.313 -8.282 1.00 2.88 C ATOM 316 C CYS A 22 -23.219 26.561 -8.163 1.00 2.00 C ATOM 317 O CYS A 22 -23.703 27.289 -7.299 1.00 4.11 O ATOM 318 CB CYS A 22 -21.289 25.399 -7.145 1.00 2.17 C ATOM 319 SG CYS A 22 -19.513 25.114 -7.041 1.00 3.26 S ATOM 320 HA CYS A 22 -21.487 25.831 -9.232 1.00 0.00 H ATOM 321 HB2 CYS A 22 -21.781 24.435 -7.278 1.00 0.00 H ATOM 322 HB3 CYS A 22 -21.617 25.846 -6.207 1.00 0.00 H ATOM 323 HG CYS A 22 -19.245 24.275 -5.978 1.00 0.00 H ATOM 324 H CYS A 22 -20.745 27.980 -7.320 1.00 0.00 H ATOM 325 N VAL A 23 -23.974 25.951 -9.050 1.00 2.00 N ATOM 326 CA VAL A 23 -25.412 26.168 -9.165 1.00 2.00 C ATOM 327 C VAL A 23 -25.958 24.833 -8.716 1.00 2.00 C ATOM 328 O VAL A 23 -25.737 23.814 -9.400 1.00 2.00 O ATOM 329 CB VAL A 23 -25.783 26.492 -10.673 1.00 2.16 C ATOM 330 CG1 VAL A 23 -27.273 26.807 -10.815 1.00 2.10 C ATOM 331 CG2 VAL A 23 -24.947 27.669 -11.174 1.00 2.02 C ATOM 332 HA VAL A 23 -25.806 27.003 -8.586 1.00 0.00 H ATOM 333 HB VAL A 23 -25.563 25.612 -11.277 1.00 0.00 H ATOM 334 HG11 VAL A 23 -27.858 25.947 -10.487 1.00 0.00 H ATOM 335 HG12 VAL A 23 -27.520 27.672 -10.200 1.00 0.00 H ATOM 336 HG13 VAL A 23 -27.499 27.025 -11.859 1.00 0.00 H ATOM 337 HG21 VAL A 23 -25.149 28.545 -10.558 1.00 0.00 H ATOM 338 HG22 VAL A 23 -23.889 27.415 -11.110 1.00 0.00 H ATOM 339 HG23 VAL A 23 -25.209 27.884 -12.210 1.00 0.00 H ATOM 340 H VAL A 23 -23.523 25.279 -9.703 1.00 0.00 H ATOM 341 N VAL A 24 -26.617 24.769 -7.556 1.00 2.00 N ATOM 342 CA VAL A 24 -27.003 23.482 -7.015 1.00 2.26 C ATOM 343 C VAL A 24 -28.470 23.438 -6.628 1.00 2.04 C ATOM 344 O VAL A 24 -29.098 24.464 -6.330 1.00 2.00 O ATOM 345 CB VAL A 24 -26.176 23.080 -5.716 1.00 2.63 C ATOM 346 CG1 VAL A 24 -24.676 23.055 -5.994 1.00 3.59 C ATOM 347 CG2 VAL A 24 -26.454 24.087 -4.573 1.00 2.08 C ATOM 348 HA VAL A 24 -26.794 22.780 -7.822 1.00 0.00 H ATOM 349 HB VAL A 24 -26.496 22.080 -5.423 1.00 0.00 H ATOM 350 HG11 VAL A 24 -24.465 22.327 -6.777 1.00 0.00 H ATOM 351 HG12 VAL A 24 -24.351 24.044 -6.318 1.00 0.00 H ATOM 352 HG13 VAL A 24 -24.144 22.777 -5.084 1.00 0.00 H ATOM 353 HG21 VAL A 24 -26.157 25.086 -4.891 1.00 0.00 H ATOM 354 HG22 VAL A 24 -27.518 24.081 -4.336 1.00 0.00 H ATOM 355 HG23 VAL A 24 -25.882 23.800 -3.691 1.00 0.00 H ATOM 356 H VAL A 24 -26.853 25.642 -7.042 1.00 0.00 H ATOM 357 N HIS A 25 -29.055 22.243 -6.626 1.00 3.13 N ATOM 358 CA HIS A 25 -30.324 22.134 -5.949 1.00 2.12 C ATOM 359 C HIS A 25 -30.023 21.411 -4.655 1.00 2.04 C ATOM 360 O HIS A 25 -29.140 20.552 -4.667 1.00 2.00 O ATOM 361 CB HIS A 25 -31.373 21.357 -6.787 1.00 2.00 C ATOM 362 CG HIS A 25 -32.475 22.323 -7.244 1.00 2.20 C ATOM 363 ND1 HIS A 25 -32.954 23.398 -6.637 1.00 2.09 N ATOM 364 CD2 HIS A 25 -33.130 22.265 -8.445 1.00 2.98 C ATOM 365 CE1 HIS A 25 -33.841 23.988 -7.387 1.00 2.00 C ATOM 366 NE2 HIS A 25 -33.936 23.297 -8.478 1.00 2.07 N ATOM 367 HA HIS A 25 -30.762 23.118 -5.781 1.00 0.00 H ATOM 368 HB2 HIS A 25 -30.889 20.917 -7.659 1.00 0.00 H ATOM 369 HB3 HIS A 25 -31.811 20.566 -6.179 1.00 0.00 H ATOM 370 HD2 HIS A 25 -33.005 21.509 -9.221 1.00 0.00 H ATOM 371 HE1 HIS A 25 -34.398 24.892 -7.142 1.00 0.00 H ATOM 372 H HIS A 25 -28.616 21.423 -7.092 1.00 0.00 H ATOM 373 N TYR A 26 -30.707 21.717 -3.533 1.00 2.18 N ATOM 374 CA TYR A 26 -30.427 21.007 -2.300 1.00 2.00 C ATOM 375 C TYR A 26 -31.688 20.820 -1.447 1.00 2.55 C ATOM 376 O TYR A 26 -32.641 21.604 -1.601 1.00 2.00 O ATOM 377 CB TYR A 26 -29.330 21.772 -1.488 1.00 2.00 C ATOM 378 CG TYR A 26 -29.735 23.081 -0.828 1.00 2.00 C ATOM 379 CD1 TYR A 26 -30.315 23.045 0.444 1.00 2.38 C ATOM 380 CD2 TYR A 26 -29.593 24.298 -1.477 1.00 2.00 C ATOM 381 CE1 TYR A 26 -30.744 24.216 1.045 1.00 2.00 C ATOM 382 CE2 TYR A 26 -30.034 25.482 -0.877 1.00 2.00 C ATOM 383 CZ TYR A 26 -30.608 25.429 0.384 1.00 2.12 C ATOM 384 OH TYR A 26 -31.043 26.586 1.001 1.00 2.00 O ATOM 385 HA TYR A 26 -30.063 20.013 -2.561 1.00 0.00 H ATOM 386 HB3 TYR A 26 -28.509 21.990 -2.171 1.00 0.00 H ATOM 387 HB2 TYR A 26 -28.979 21.104 -0.702 1.00 0.00 H ATOM 388 HD2 TYR A 26 -29.133 24.332 -2.465 1.00 0.00 H ATOM 389 HE2 TYR A 26 -29.928 26.435 -1.395 1.00 0.00 H ATOM 390 HE1 TYR A 26 -31.190 24.185 2.039 1.00 0.00 H ATOM 391 HD1 TYR A 26 -30.429 22.093 0.963 1.00 0.00 H ATOM 392 HH TYR A 26 -31.422 26.363 1.888 1.00 0.00 H ATOM 393 H TYR A 26 -31.434 22.461 -3.552 1.00 0.00 H ATOM 394 N THR A 27 -31.671 19.802 -0.583 1.00 2.38 N ATOM 395 CA THR A 27 -32.650 19.622 0.488 1.00 2.63 C ATOM 396 C THR A 27 -31.781 19.292 1.692 1.00 2.34 C ATOM 397 O THR A 27 -30.934 18.400 1.625 1.00 2.79 O ATOM 398 CB THR A 27 -33.592 18.463 0.268 1.00 2.00 C ATOM 399 OG1 THR A 27 -34.315 18.730 -0.930 1.00 2.75 O ATOM 400 CG2 THR A 27 -34.539 18.306 1.439 1.00 4.47 C ATOM 401 HA THR A 27 -33.282 20.505 0.577 1.00 0.00 H ATOM 402 HB THR A 27 -33.034 17.530 0.182 1.00 0.00 H ATOM 403 HG1 THR A 27 -34.820 19.575 -0.828 1.00 0.00 H ATOM 404 HG23 THR A 27 -33.966 18.103 2.344 1.00 0.00 H ATOM 405 HG21 THR A 27 -35.110 19.225 1.568 1.00 0.00 H ATOM 406 HG22 THR A 27 -35.220 17.477 1.245 1.00 0.00 H ATOM 407 H THR A 27 -30.915 19.094 -0.678 1.00 0.00 H ATOM 408 N GLY A 28 -31.864 20.074 2.743 1.00 3.41 N ATOM 409 CA GLY A 28 -31.104 19.867 3.984 1.00 2.19 C ATOM 410 C GLY A 28 -32.007 19.231 5.023 1.00 2.29 C ATOM 411 O GLY A 28 -33.112 19.714 5.269 1.00 2.51 O ATOM 412 HA3 GLY A 28 -30.742 20.826 4.354 1.00 0.00 H ATOM 413 HA2 GLY A 28 -30.256 19.211 3.787 1.00 0.00 H ATOM 414 H GLY A 28 -32.507 20.890 2.695 1.00 0.00 H ATOM 415 N MET A 29 -31.497 18.182 5.651 1.00 2.00 N ATOM 416 CA MET A 29 -32.170 17.400 6.681 1.00 2.53 C ATOM 417 C MET A 29 -31.239 17.182 7.882 1.00 3.85 C ATOM 418 O MET A 29 -30.001 17.296 7.860 1.00 5.17 O ATOM 419 CB MET A 29 -32.587 16.025 6.154 1.00 2.36 C ATOM 420 CG MET A 29 -33.589 16.112 5.046 1.00 3.29 C ATOM 421 SD MET A 29 -33.573 14.615 4.036 1.00 18.22 S ATOM 422 CE MET A 29 -32.131 14.955 3.062 1.00 4.93 C ATOM 423 HA MET A 29 -33.055 17.961 6.980 1.00 0.00 H ATOM 424 HB2 MET A 29 -31.701 15.509 5.784 1.00 0.00 H ATOM 425 HB3 MET A 29 -33.022 15.454 6.974 1.00 0.00 H ATOM 426 HG2 MET A 29 -33.350 16.969 4.416 1.00 0.00 H ATOM 427 HG3 MET A 29 -34.583 16.243 5.474 1.00 0.00 H ATOM 428 HE1 MET A 29 -32.282 15.877 2.501 1.00 0.00 H ATOM 429 HE2 MET A 29 -31.268 15.066 3.719 1.00 0.00 H ATOM 430 HE3 MET A 29 -31.959 14.131 2.370 1.00 0.00 H ATOM 431 H MET A 29 -30.534 17.891 5.387 1.00 0.00 H ATOM 432 N LEU A 30 -31.917 17.032 9.004 1.00 5.61 N ATOM 433 CA LEU A 30 -31.350 16.660 10.276 1.00 2.23 C ATOM 434 C LEU A 30 -31.172 15.143 10.243 1.00 2.28 C ATOM 435 O LEU A 30 -31.819 14.465 9.437 1.00 2.13 O ATOM 436 CB LEU A 30 -32.356 17.119 11.317 1.00 3.44 C ATOM 437 CG LEU A 30 -32.153 18.329 12.239 1.00 5.20 C ATOM 438 CD1 LEU A 30 -31.076 19.273 11.739 1.00 5.93 C ATOM 439 CD2 LEU A 30 -33.486 18.980 12.407 1.00 5.88 C ATOM 440 HA LEU A 30 -30.381 17.106 10.501 1.00 0.00 H ATOM 441 HB2 LEU A 30 -33.277 17.317 10.769 1.00 0.00 H ATOM 442 HB3 LEU A 30 -32.505 16.266 11.979 1.00 0.00 H ATOM 443 HG LEU A 30 -31.778 18.008 13.211 1.00 0.00 H ATOM 444 HD21 LEU A 30 -33.860 19.296 11.433 1.00 0.00 H ATOM 445 HD22 LEU A 30 -34.183 18.269 12.852 1.00 0.00 H ATOM 446 HD23 LEU A 30 -33.385 19.848 13.058 1.00 0.00 H ATOM 447 HD11 LEU A 30 -30.128 18.739 11.675 1.00 0.00 H ATOM 448 HD12 LEU A 30 -31.352 19.647 10.753 1.00 0.00 H ATOM 449 HD13 LEU A 30 -30.977 20.109 12.431 1.00 0.00 H ATOM 450 H LEU A 30 -32.943 17.195 8.968 1.00 0.00 H ATOM 451 N GLU A 31 -30.404 14.484 11.121 1.00 2.00 N ATOM 452 CA GLU A 31 -30.248 13.033 11.076 1.00 3.38 C ATOM 453 C GLU A 31 -31.500 12.186 11.186 1.00 2.24 C ATOM 454 O GLU A 31 -31.551 11.030 10.796 1.00 2.51 O ATOM 455 CB GLU A 31 -29.326 12.598 12.174 1.00 6.39 C ATOM 456 CG GLU A 31 -27.892 12.774 11.775 1.00 8.67 C ATOM 457 CD GLU A 31 -27.008 12.069 12.798 1.00 12.33 C ATOM 458 OE1 GLU A 31 -27.031 12.487 13.976 1.00 11.11 O ATOM 459 OE2 GLU A 31 -26.322 11.114 12.393 1.00 11.97 O ATOM 460 HA GLU A 31 -29.866 12.859 10.070 1.00 0.00 H ATOM 461 HB2 GLU A 31 -29.524 13.196 13.064 1.00 0.00 H ATOM 462 HB3 GLU A 31 -29.508 11.546 12.396 1.00 0.00 H ATOM 463 HG2 GLU A 31 -27.730 12.339 10.789 1.00 0.00 H ATOM 464 HG3 GLU A 31 -27.646 13.836 11.748 1.00 0.00 H ATOM 465 H GLU A 31 -29.904 15.022 11.857 1.00 0.00 H ATOM 466 N ASP A 32 -32.575 12.744 11.721 1.00 2.28 N ATOM 467 CA ASP A 32 -33.818 12.002 11.813 1.00 2.22 C ATOM 468 C ASP A 32 -34.705 12.119 10.568 1.00 2.02 C ATOM 469 O ASP A 32 -35.859 11.673 10.656 1.00 3.63 O ATOM 470 CB ASP A 32 -34.590 12.496 13.050 1.00 2.07 C ATOM 471 CG ASP A 32 -35.051 13.942 13.036 1.00 4.69 C ATOM 472 OD1 ASP A 32 -34.720 14.677 12.114 1.00 3.24 O ATOM 473 OD2 ASP A 32 -35.769 14.335 13.959 1.00 7.19 O ATOM 474 HA ASP A 32 -33.559 10.947 11.897 1.00 0.00 H ATOM 475 HB2 ASP A 32 -35.475 11.869 13.159 1.00 0.00 H ATOM 476 HB3 ASP A 32 -33.943 12.364 13.917 1.00 0.00 H ATOM 477 H ASP A 32 -32.528 13.720 12.077 1.00 0.00 H ATOM 478 N GLY A 33 -34.234 12.780 9.483 1.00 2.80 N ATOM 479 CA GLY A 33 -34.991 12.931 8.248 1.00 3.15 C ATOM 480 C GLY A 33 -35.766 14.243 8.159 1.00 5.33 C ATOM 481 O GLY A 33 -36.322 14.644 7.140 1.00 6.47 O ATOM 482 HA3 GLY A 33 -35.700 12.107 8.176 1.00 0.00 H ATOM 483 HA2 GLY A 33 -34.296 12.884 7.410 1.00 0.00 H ATOM 484 H GLY A 33 -33.284 13.201 9.535 1.00 0.00 H ATOM 485 N LYS A 34 -35.866 15.004 9.223 1.00 6.33 N ATOM 486 CA LYS A 34 -36.601 16.241 9.197 1.00 8.80 C ATOM 487 C LYS A 34 -35.912 17.256 8.284 1.00 8.23 C ATOM 488 O LYS A 34 -34.758 17.615 8.491 1.00 5.74 O ATOM 489 CB LYS A 34 -36.689 16.754 10.629 1.00 10.07 C ATOM 490 CG LYS A 34 -37.903 17.603 10.799 1.00 12.70 C ATOM 491 CD LYS A 34 -37.644 19.089 10.645 1.00 16.34 C ATOM 492 CE LYS A 34 -36.932 19.593 11.893 1.00 21.18 C ATOM 493 NZ LYS A 34 -37.792 19.513 13.067 1.00 21.86 N ATOM 494 HA LYS A 34 -37.603 16.085 8.797 1.00 0.00 H ATOM 495 HB2 LYS A 34 -36.743 15.907 11.312 1.00 0.00 H ATOM 496 HB3 LYS A 34 -35.802 17.345 10.855 1.00 0.00 H ATOM 497 HG2 LYS A 34 -38.638 17.304 10.052 1.00 0.00 H ATOM 498 HG3 LYS A 34 -38.308 17.427 11.796 1.00 0.00 H ATOM 499 HD2 LYS A 34 -37.018 19.264 9.770 1.00 0.00 H ATOM 500 HD3 LYS A 34 -38.591 19.616 10.524 1.00 0.00 H ATOM 501 HE2 LYS A 34 -36.638 20.631 11.739 1.00 0.00 H ATOM 502 HE3 LYS A 34 -36.042 18.986 12.063 1.00 0.00 H ATOM 503 HZ1 LYS A 34 -38.641 20.094 12.914 1.00 0.00 H ATOM 504 HZ2 LYS A 34 -38.072 18.524 13.224 1.00 0.00 H ATOM 505 HZ3 LYS A 34 -37.275 19.864 13.898 1.00 0.00 H ATOM 506 H LYS A 34 -35.403 14.706 10.106 1.00 0.00 H ATOM 507 N LYS A 35 -36.665 17.752 7.317 1.00 7.56 N ATOM 508 CA LYS A 35 -36.212 18.731 6.360 1.00 8.04 C ATOM 509 C LYS A 35 -36.219 20.067 7.047 1.00 5.68 C ATOM 510 O LYS A 35 -37.225 20.450 7.663 1.00 6.91 O ATOM 511 CB LYS A 35 -37.176 18.757 5.174 1.00 8.72 C ATOM 512 CG LYS A 35 -36.817 19.573 3.927 1.00 12.44 C ATOM 513 CD LYS A 35 -37.930 19.543 2.863 1.00 14.32 C ATOM 514 CE LYS A 35 -39.229 20.247 3.330 1.00 15.27 C ATOM 515 NZ LYS A 35 -40.308 20.153 2.348 1.00 16.18 N ATOM 516 HA LYS A 35 -35.213 18.492 5.997 1.00 0.00 H ATOM 517 HB2 LYS A 35 -37.309 17.725 4.850 1.00 0.00 H ATOM 518 HB3 LYS A 35 -38.125 19.145 5.545 1.00 0.00 H ATOM 519 HG2 LYS A 35 -36.644 20.608 4.224 1.00 0.00 H ATOM 520 HG3 LYS A 35 -35.905 19.164 3.492 1.00 0.00 H ATOM 521 HD2 LYS A 35 -37.567 20.043 1.965 1.00 0.00 H ATOM 522 HD3 LYS A 35 -38.162 18.504 2.631 1.00 0.00 H ATOM 523 HE2 LYS A 35 -39.010 21.300 3.508 1.00 0.00 H ATOM 524 HE3 LYS A 35 -39.562 19.784 4.259 1.00 0.00 H ATOM 525 HZ1 LYS A 35 -40.006 20.600 1.459 1.00 0.00 H ATOM 526 HZ2 LYS A 35 -40.532 19.152 2.176 1.00 0.00 H ATOM 527 HZ3 LYS A 35 -41.151 20.641 2.713 1.00 0.00 H ATOM 528 H LYS A 35 -37.646 17.415 7.242 1.00 0.00 H ATOM 529 N PHE A 36 -35.137 20.812 6.949 1.00 3.94 N ATOM 530 CA PHE A 36 -35.159 22.165 7.485 1.00 2.69 C ATOM 531 C PHE A 36 -35.188 23.196 6.355 1.00 2.19 C ATOM 532 O PHE A 36 -35.493 24.370 6.593 1.00 2.00 O ATOM 533 CB PHE A 36 -33.949 22.395 8.411 1.00 2.10 C ATOM 534 CG PHE A 36 -32.549 22.070 7.907 1.00 4.03 C ATOM 535 CD1 PHE A 36 -31.845 23.002 7.141 1.00 2.64 C ATOM 536 CD2 PHE A 36 -31.960 20.863 8.283 1.00 5.73 C ATOM 537 CE1 PHE A 36 -30.545 22.719 6.764 1.00 2.73 C ATOM 538 CE2 PHE A 36 -30.654 20.605 7.894 1.00 4.29 C ATOM 539 CZ PHE A 36 -29.948 21.527 7.139 1.00 3.77 C ATOM 540 HA PHE A 36 -36.068 22.289 8.074 1.00 0.00 H ATOM 541 HB2 PHE A 36 -33.952 23.451 8.682 1.00 0.00 H ATOM 542 HB3 PHE A 36 -34.113 21.792 9.304 1.00 0.00 H ATOM 543 HD2 PHE A 36 -32.517 20.135 8.873 1.00 0.00 H ATOM 544 HE2 PHE A 36 -30.179 19.668 8.185 1.00 0.00 H ATOM 545 HZ PHE A 36 -28.922 21.314 6.840 1.00 0.00 H ATOM 546 HE1 PHE A 36 -29.986 23.440 6.167 1.00 0.00 H ATOM 547 HD1 PHE A 36 -32.314 23.940 6.844 1.00 0.00 H ATOM 548 H PHE A 36 -34.279 20.439 6.495 1.00 0.00 H ATOM 549 N ASP A 37 -34.830 22.806 5.131 1.00 3.41 N ATOM 550 CA ASP A 37 -34.897 23.727 3.981 1.00 2.12 C ATOM 551 C ASP A 37 -34.608 22.987 2.688 1.00 2.45 C ATOM 552 O ASP A 37 -33.964 21.950 2.749 1.00 2.93 O ATOM 553 CB ASP A 37 -33.876 24.882 4.050 1.00 2.05 C ATOM 554 CG ASP A 37 -34.235 25.986 3.042 1.00 2.59 C ATOM 555 OD1 ASP A 37 -35.378 26.430 3.026 1.00 6.13 O ATOM 556 OD2 ASP A 37 -33.419 26.383 2.232 1.00 2.00 O ATOM 557 HA ASP A 37 -35.907 24.136 4.012 1.00 0.00 H ATOM 558 HB2 ASP A 37 -33.877 25.301 5.056 1.00 0.00 H ATOM 559 HB3 ASP A 37 -32.883 24.496 3.820 1.00 0.00 H ATOM 560 H ASP A 37 -34.497 21.832 4.984 1.00 0.00 H ATOM 561 N SER A 38 -35.097 23.497 1.547 1.00 2.00 N ATOM 562 CA SER A 38 -34.900 22.903 0.219 1.00 2.93 C ATOM 563 C SER A 38 -35.109 23.948 -0.864 1.00 2.00 C ATOM 564 O SER A 38 -36.120 24.656 -0.846 1.00 2.00 O ATOM 565 CB SER A 38 -35.887 21.749 -0.042 1.00 2.08 C ATOM 566 OG SER A 38 -35.622 21.174 -1.313 1.00 2.00 O ATOM 567 HA SER A 38 -33.880 22.519 0.194 1.00 0.00 H ATOM 568 HB2 SER A 38 -36.907 22.132 -0.022 1.00 0.00 H ATOM 569 HB3 SER A 38 -35.771 20.990 0.731 1.00 0.00 H ATOM 570 HG SER A 38 -34.696 20.825 -1.330 1.00 0.00 H ATOM 571 H SER A 38 -35.654 24.373 1.608 1.00 0.00 H ATOM 572 N SER A 39 -34.148 24.094 -1.785 1.00 2.00 N ATOM 573 CA SER A 39 -34.348 25.012 -2.908 1.00 2.30 C ATOM 574 C SER A 39 -35.297 24.364 -3.919 1.00 2.10 C ATOM 575 O SER A 39 -35.886 25.045 -4.767 1.00 2.00 O ATOM 576 CB SER A 39 -33.029 25.341 -3.600 1.00 2.05 C ATOM 577 OG SER A 39 -32.329 24.166 -3.987 1.00 2.24 O ATOM 578 HA SER A 39 -34.772 25.939 -2.522 1.00 0.00 H ATOM 579 HB2 SER A 39 -32.404 25.915 -2.915 1.00 0.00 H ATOM 580 HB3 SER A 39 -33.235 25.938 -4.488 1.00 0.00 H ATOM 581 HG SER A 39 -32.888 23.642 -4.614 1.00 0.00 H ATOM 582 H SER A 39 -33.261 23.556 -1.703 1.00 0.00 H ATOM 583 N ARG A 40 -35.410 23.027 -3.853 1.00 2.24 N ATOM 584 CA ARG A 40 -36.282 22.291 -4.735 1.00 2.47 C ATOM 585 C ARG A 40 -37.722 22.751 -4.421 1.00 4.47 C ATOM 586 O ARG A 40 -38.483 22.992 -5.349 1.00 3.23 O ATOM 587 CB ARG A 40 -36.124 20.759 -4.536 1.00 2.21 C ATOM 588 CG ARG A 40 -34.744 20.212 -4.967 1.00 3.48 C ATOM 589 CD ARG A 40 -34.595 18.665 -5.012 1.00 6.38 C ATOM 590 NE ARG A 40 -33.227 18.206 -5.321 1.00 9.98 N ATOM 591 CZ ARG A 40 -32.308 17.927 -4.359 1.00 10.55 C ATOM 592 NH1 ARG A 40 -32.599 18.053 -3.058 1.00 10.41 N ATOM 593 NH2 ARG A 40 -31.051 17.522 -4.674 1.00 10.02 N ATOM 594 HA ARG A 40 -36.032 22.488 -5.777 1.00 0.00 H ATOM 595 HB2 ARG A 40 -36.269 20.533 -3.480 1.00 0.00 H ATOM 596 HB3 ARG A 40 -36.892 20.255 -5.123 1.00 0.00 H ATOM 597 HG2 ARG A 40 -34.533 20.595 -5.966 1.00 0.00 H ATOM 598 HG3 ARG A 40 -34.002 20.596 -4.267 1.00 0.00 H ATOM 599 HD2 ARG A 40 -35.269 18.277 -5.776 1.00 0.00 H ATOM 600 HD3 ARG A 40 -34.881 18.264 -4.040 1.00 0.00 H ATOM 601 HE ARG A 40 -32.954 18.091 -6.318 1.00 0.00 H ATOM 602 HH12 ARG A 40 -31.879 17.834 -2.340 1.00 0.00 H ATOM 603 HH11 ARG A 40 -33.545 18.370 -2.765 1.00 0.00 H ATOM 604 HH22 ARG A 40 -30.367 17.315 -3.919 1.00 0.00 H ATOM 605 HH21 ARG A 40 -30.772 17.419 -5.671 1.00 0.00 H ATOM 606 H ARG A 40 -34.852 22.508 -3.145 1.00 0.00 H ATOM 607 N ASP A 41 -38.082 23.029 -3.169 1.00 5.39 N ATOM 608 CA ASP A 41 -39.414 23.552 -2.854 1.00 4.46 C ATOM 609 C ASP A 41 -39.589 24.970 -3.411 1.00 4.66 C ATOM 610 O ASP A 41 -40.715 25.372 -3.708 1.00 5.88 O ATOM 611 CB ASP A 41 -39.643 23.571 -1.307 1.00 4.98 C ATOM 612 CG ASP A 41 -39.596 22.207 -0.631 1.00 5.60 C ATOM 613 OD1 ASP A 41 -39.961 21.183 -1.210 1.00 7.25 O ATOM 614 OD2 ASP A 41 -39.149 22.174 0.517 1.00 8.02 O ATOM 615 HA ASP A 41 -40.149 22.895 -3.320 1.00 0.00 H ATOM 616 HB2 ASP A 41 -38.872 24.197 -0.859 1.00 0.00 H ATOM 617 HB3 ASP A 41 -40.622 24.010 -1.116 1.00 0.00 H ATOM 618 H ASP A 41 -37.402 22.871 -2.398 1.00 0.00 H ATOM 619 N ARG A 42 -38.520 25.759 -3.552 1.00 6.18 N ATOM 620 CA ARG A 42 -38.647 27.075 -4.151 1.00 6.28 C ATOM 621 C ARG A 42 -38.488 27.041 -5.679 1.00 6.35 C ATOM 622 O ARG A 42 -38.783 28.016 -6.385 1.00 4.86 O ATOM 623 CB ARG A 42 -37.616 28.029 -3.611 1.00 6.80 C ATOM 624 CG ARG A 42 -37.566 28.017 -2.104 1.00 8.27 C ATOM 625 CD ARG A 42 -36.601 29.085 -1.606 1.00 6.41 C ATOM 626 NE ARG A 42 -35.172 28.897 -1.728 1.00 9.14 N ATOM 627 CZ ARG A 42 -34.461 28.229 -0.810 1.00 9.65 C ATOM 628 NH1 ARG A 42 -35.077 27.620 0.208 1.00 10.21 N ATOM 629 NH2 ARG A 42 -33.144 28.100 -0.952 1.00 8.82 N ATOM 630 HA ARG A 42 -39.651 27.413 -3.896 1.00 0.00 H ATOM 631 HB2 ARG A 42 -36.637 27.745 -3.998 1.00 0.00 H ATOM 632 HB3 ARG A 42 -37.859 29.037 -3.947 1.00 0.00 H ATOM 633 HG2 ARG A 42 -38.562 28.217 -1.708 1.00 0.00 H ATOM 634 HG3 ARG A 42 -37.230 27.038 -1.762 1.00 0.00 H ATOM 635 HD2 ARG A 42 -36.809 29.224 -0.545 1.00 0.00 H ATOM 636 HD3 ARG A 42 -36.843 30.001 -2.145 1.00 0.00 H ATOM 637 HE ARG A 42 -34.681 29.293 -2.555 1.00 0.00 H ATOM 638 HH12 ARG A 42 -34.520 27.103 0.918 1.00 0.00 H ATOM 639 HH11 ARG A 42 -36.113 27.663 0.290 1.00 0.00 H ATOM 640 HH22 ARG A 42 -32.592 27.581 -0.239 1.00 0.00 H ATOM 641 HH21 ARG A 42 -32.666 28.518 -1.776 1.00 0.00 H ATOM 642 H ARG A 42 -37.589 25.427 -3.230 1.00 0.00 H ATOM 643 N ASN A 43 -38.057 25.890 -6.213 1.00 9.32 N ATOM 644 CA ASN A 43 -37.848 25.680 -7.631 1.00 9.05 C ATOM 645 C ASN A 43 -36.867 26.715 -8.202 1.00 10.05 C ATOM 646 O ASN A 43 -36.957 27.172 -9.322 1.00 6.95 O ATOM 647 CB ASN A 43 -39.208 25.740 -8.286 1.00 11.21 C ATOM 648 CG ASN A 43 -39.145 25.316 -9.731 1.00 14.48 C ATOM 649 OD1 ASN A 43 -39.688 25.990 -10.592 1.00 16.38 O ATOM 650 ND2 ASN A 43 -38.579 24.187 -10.142 1.00 15.17 N ATOM 651 HA ASN A 43 -37.390 24.711 -7.827 1.00 0.00 H ATOM 652 HB2 ASN A 43 -39.888 25.077 -7.751 1.00 0.00 H ATOM 653 HB3 ASN A 43 -39.582 26.762 -8.233 1.00 0.00 H ATOM 654 HD22 ASN A 43 -38.100 23.567 -9.459 1.00 0.00 H ATOM 655 HD21 ASN A 43 -38.615 23.923 -11.147 1.00 0.00 H ATOM 656 H ASN A 43 -37.860 25.098 -5.569 1.00 0.00 H ATOM 657 N LYS A 44 -35.879 27.142 -7.446 1.00 10.76 N ATOM 658 CA LYS A 44 -34.889 28.086 -7.931 1.00 10.17 C ATOM 659 C LYS A 44 -33.568 27.566 -7.349 1.00 8.67 C ATOM 660 O LYS A 44 -33.513 27.296 -6.133 1.00 7.64 O ATOM 661 CB LYS A 44 -35.286 29.489 -7.422 1.00 13.81 C ATOM 662 CG LYS A 44 -34.422 30.646 -7.969 1.00 15.25 C ATOM 663 CD LYS A 44 -34.932 31.980 -7.424 1.00 17.60 C ATOM 664 CE LYS A 44 -33.920 33.129 -7.639 1.00 19.28 C ATOM 665 NZ LYS A 44 -32.742 32.988 -6.793 1.00 20.21 N ATOM 666 HA LYS A 44 -34.808 28.170 -9.015 1.00 0.00 H ATOM 667 HB2 LYS A 44 -36.321 29.674 -7.709 1.00 0.00 H ATOM 668 HB3 LYS A 44 -35.206 29.491 -6.335 1.00 0.00 H ATOM 669 HG2 LYS A 44 -33.387 30.501 -7.660 1.00 0.00 H ATOM 670 HG3 LYS A 44 -34.477 30.655 -9.058 1.00 0.00 H ATOM 671 HD2 LYS A 44 -35.863 32.233 -7.932 1.00 0.00 H ATOM 672 HD3 LYS A 44 -35.120 31.873 -6.356 1.00 0.00 H ATOM 673 HE2 LYS A 44 -34.408 34.076 -7.407 1.00 0.00 H ATOM 674 HE3 LYS A 44 -33.605 33.130 -8.683 1.00 0.00 H ATOM 675 HZ1 LYS A 44 -33.031 32.993 -5.794 1.00 0.00 H ATOM 676 HZ2 LYS A 44 -32.265 32.090 -7.012 1.00 0.00 H ATOM 677 HZ3 LYS A 44 -32.092 33.780 -6.971 1.00 0.00 H ATOM 678 H LYS A 44 -35.805 26.792 -6.469 1.00 0.00 H ATOM 679 N PRO A 45 -32.550 27.208 -8.178 1.00 8.75 N ATOM 680 CA PRO A 45 -31.261 26.688 -7.722 1.00 5.33 C ATOM 681 C PRO A 45 -30.575 27.696 -6.816 1.00 3.26 C ATOM 682 O PRO A 45 -30.779 28.907 -6.955 1.00 2.00 O ATOM 683 CB PRO A 45 -30.420 26.433 -8.950 1.00 4.54 C ATOM 684 CG PRO A 45 -31.441 26.386 -10.053 1.00 6.86 C ATOM 685 CD PRO A 45 -32.516 27.383 -9.635 1.00 6.96 C ATOM 686 HA PRO A 45 -31.399 25.770 -7.151 1.00 0.00 H ATOM 687 HD3 PRO A 45 -32.237 28.402 -9.905 1.00 0.00 H ATOM 688 HD2 PRO A 45 -33.478 27.139 -10.085 1.00 0.00 H ATOM 689 HG3 PRO A 45 -31.861 25.384 -10.145 1.00 0.00 H ATOM 690 HG2 PRO A 45 -30.994 26.679 -11.003 1.00 0.00 H ATOM 691 HB2 PRO A 45 -29.705 27.240 -9.111 1.00 0.00 H ATOM 692 HB3 PRO A 45 -29.885 25.487 -8.870 1.00 0.00 H ATOM 693 N PHE A 46 -29.740 27.189 -5.907 1.00 3.06 N ATOM 694 CA PHE A 46 -29.017 28.076 -5.029 1.00 2.08 C ATOM 695 C PHE A 46 -27.649 28.289 -5.660 1.00 2.00 C ATOM 696 O PHE A 46 -27.054 27.319 -6.120 1.00 2.00 O ATOM 697 CB PHE A 46 -28.908 27.404 -3.660 1.00 2.00 C ATOM 698 CG PHE A 46 -28.083 28.155 -2.651 1.00 2.33 C ATOM 699 CD1 PHE A 46 -28.585 29.288 -2.055 1.00 2.08 C ATOM 700 CD2 PHE A 46 -26.828 27.698 -2.333 1.00 2.08 C ATOM 701 CE1 PHE A 46 -27.817 29.962 -1.135 1.00 4.65 C ATOM 702 CE2 PHE A 46 -26.075 28.386 -1.414 1.00 3.26 C ATOM 703 CZ PHE A 46 -26.560 29.523 -0.806 1.00 3.32 C ATOM 704 HA PHE A 46 -29.511 29.038 -4.894 1.00 0.00 H ATOM 705 HB2 PHE A 46 -29.914 27.289 -3.257 1.00 0.00 H ATOM 706 HB3 PHE A 46 -28.460 26.420 -3.800 1.00 0.00 H ATOM 707 HD2 PHE A 46 -26.434 26.798 -2.805 1.00 0.00 H ATOM 708 HE2 PHE A 46 -25.077 28.027 -1.161 1.00 0.00 H ATOM 709 HZ PHE A 46 -25.956 30.064 -0.077 1.00 0.00 H ATOM 710 HE1 PHE A 46 -28.213 30.859 -0.660 1.00 0.00 H ATOM 711 HD1 PHE A 46 -29.582 29.648 -2.309 1.00 0.00 H ATOM 712 H PHE A 46 -29.611 26.160 -5.832 1.00 0.00 H ATOM 713 N LYS A 47 -27.096 29.492 -5.678 1.00 2.00 N ATOM 714 CA LYS A 47 -25.762 29.689 -6.233 1.00 3.08 C ATOM 715 C LYS A 47 -24.749 30.053 -5.137 1.00 2.74 C ATOM 716 O LYS A 47 -25.097 30.865 -4.265 1.00 2.00 O ATOM 717 CB LYS A 47 -25.755 30.832 -7.237 1.00 2.52 C ATOM 718 CG LYS A 47 -26.559 30.487 -8.449 1.00 5.16 C ATOM 719 CD LYS A 47 -26.484 31.561 -9.515 1.00 8.34 C ATOM 720 CE LYS A 47 -27.208 30.936 -10.695 1.00 8.64 C ATOM 721 NZ LYS A 47 -27.374 31.883 -11.789 1.00 10.62 N ATOM 722 HA LYS A 47 -25.486 28.749 -6.711 1.00 0.00 H ATOM 723 HB2 LYS A 47 -26.179 31.720 -6.769 1.00 0.00 H ATOM 724 HB3 LYS A 47 -24.727 31.037 -7.537 1.00 0.00 H ATOM 725 HG2 LYS A 47 -26.182 29.553 -8.865 1.00 0.00 H ATOM 726 HG3 LYS A 47 -27.600 30.358 -8.154 1.00 0.00 H ATOM 727 HD2 LYS A 47 -26.985 32.472 -9.187 1.00 0.00 H ATOM 728 HD3 LYS A 47 -25.448 31.788 -9.768 1.00 0.00 H ATOM 729 HE2 LYS A 47 -28.191 30.598 -10.368 1.00 0.00 H ATOM 730 HE3 LYS A 47 -26.632 30.082 -11.051 1.00 0.00 H ATOM 731 HZ1 LYS A 47 -27.929 32.698 -11.459 1.00 0.00 H ATOM 732 HZ2 LYS A 47 -26.439 32.206 -12.111 1.00 0.00 H ATOM 733 HZ3 LYS A 47 -27.872 31.419 -12.575 1.00 0.00 H ATOM 734 H LYS A 47 -27.618 30.304 -5.292 1.00 0.00 H ATOM 735 N PHE A 48 -23.538 29.494 -5.123 1.00 2.00 N ATOM 736 CA PHE A 48 -22.501 30.003 -4.240 1.00 2.38 C ATOM 737 C PHE A 48 -21.185 29.920 -4.992 1.00 2.38 C ATOM 738 O PHE A 48 -21.053 29.028 -5.850 1.00 4.31 O ATOM 739 CB PHE A 48 -22.403 29.187 -2.939 1.00 2.00 C ATOM 740 CG PHE A 48 -21.790 27.791 -3.045 1.00 2.08 C ATOM 741 CD1 PHE A 48 -22.567 26.732 -3.454 1.00 2.00 C ATOM 742 CD2 PHE A 48 -20.459 27.585 -2.703 1.00 2.00 C ATOM 743 CE1 PHE A 48 -22.019 25.474 -3.516 1.00 2.00 C ATOM 744 CE2 PHE A 48 -19.911 26.306 -2.767 1.00 2.00 C ATOM 745 CZ PHE A 48 -20.699 25.251 -3.172 1.00 2.20 C ATOM 746 HA PHE A 48 -22.739 31.028 -3.958 1.00 0.00 H ATOM 747 HB2 PHE A 48 -21.799 29.760 -2.235 1.00 0.00 H ATOM 748 HB3 PHE A 48 -23.412 29.075 -2.543 1.00 0.00 H ATOM 749 HD2 PHE A 48 -19.843 28.426 -2.384 1.00 0.00 H ATOM 750 HE2 PHE A 48 -18.867 26.141 -2.499 1.00 0.00 H ATOM 751 HZ PHE A 48 -20.283 24.245 -3.221 1.00 0.00 H ATOM 752 HE1 PHE A 48 -22.636 24.637 -3.842 1.00 0.00 H ATOM 753 HD1 PHE A 48 -23.610 26.890 -3.727 1.00 0.00 H ATOM 754 H PHE A 48 -23.334 28.688 -5.748 1.00 0.00 H ATOM 755 N MET A 49 -20.200 30.794 -4.732 1.00 2.00 N ATOM 756 CA MET A 49 -18.851 30.683 -5.293 1.00 2.02 C ATOM 757 C MET A 49 -17.946 29.913 -4.354 1.00 2.13 C ATOM 758 O MET A 49 -17.832 30.250 -3.157 1.00 2.11 O ATOM 759 CB MET A 49 -18.237 32.080 -5.535 1.00 2.17 C ATOM 760 CG MET A 49 -16.709 32.179 -5.777 1.00 2.67 C ATOM 761 SD MET A 49 -16.105 33.796 -6.346 1.00 2.56 S ATOM 762 CE MET A 49 -17.319 34.206 -7.534 1.00 2.40 C ATOM 763 HA MET A 49 -18.934 30.154 -6.242 1.00 0.00 H ATOM 764 HB2 MET A 49 -18.731 32.503 -6.410 1.00 0.00 H ATOM 765 HB3 MET A 49 -18.466 32.689 -4.661 1.00 0.00 H ATOM 766 HG2 MET A 49 -16.440 31.437 -6.529 1.00 0.00 H ATOM 767 HG3 MET A 49 -16.205 31.944 -4.840 1.00 0.00 H ATOM 768 HE1 MET A 49 -17.332 33.446 -8.315 1.00 0.00 H ATOM 769 HE2 MET A 49 -18.296 34.251 -7.053 1.00 0.00 H ATOM 770 HE3 MET A 49 -17.084 35.176 -7.972 1.00 0.00 H ATOM 771 H MET A 49 -20.405 31.593 -4.098 1.00 0.00 H ATOM 772 N LEU A 50 -17.327 28.891 -4.922 1.00 2.73 N ATOM 773 CA LEU A 50 -16.376 28.071 -4.244 1.00 2.85 C ATOM 774 C LEU A 50 -15.167 28.886 -3.827 1.00 3.08 C ATOM 775 O LEU A 50 -14.554 29.561 -4.654 1.00 2.26 O ATOM 776 CB LEU A 50 -15.797 26.957 -5.123 1.00 2.20 C ATOM 777 CG LEU A 50 -16.002 25.492 -4.920 1.00 2.52 C ATOM 778 CD1 LEU A 50 -14.734 24.858 -5.498 1.00 2.96 C ATOM 779 CD2 LEU A 50 -16.145 25.077 -3.493 1.00 2.66 C ATOM 780 HA LEU A 50 -16.929 27.652 -3.403 1.00 0.00 H ATOM 781 HB2 LEU A 50 -16.166 27.162 -6.128 1.00 0.00 H ATOM 782 HB3 LEU A 50 -14.717 27.102 -5.097 1.00 0.00 H ATOM 783 HG LEU A 50 -16.934 25.182 -5.394 1.00 0.00 H ATOM 784 HD21 LEU A 50 -15.243 25.350 -2.944 1.00 0.00 H ATOM 785 HD22 LEU A 50 -17.006 25.581 -3.054 1.00 0.00 H ATOM 786 HD23 LEU A 50 -16.290 23.998 -3.443 1.00 0.00 H ATOM 787 HD11 LEU A 50 -14.647 25.119 -6.553 1.00 0.00 H ATOM 788 HD12 LEU A 50 -13.864 25.231 -4.957 1.00 0.00 H ATOM 789 HD13 LEU A 50 -14.791 23.774 -5.394 1.00 0.00 H ATOM 790 H LEU A 50 -17.545 28.674 -5.915 1.00 0.00 H ATOM 791 N GLY A 51 -14.796 28.760 -2.544 1.00 2.96 N ATOM 792 CA GLY A 51 -13.622 29.392 -1.978 1.00 2.36 C ATOM 793 C GLY A 51 -13.872 30.776 -1.434 1.00 4.78 C ATOM 794 O GLY A 51 -13.007 31.345 -0.770 1.00 4.95 O ATOM 795 HA3 GLY A 51 -12.861 29.461 -2.756 1.00 0.00 H ATOM 796 HA2 GLY A 51 -13.253 28.766 -1.166 1.00 0.00 H ATOM 797 H GLY A 51 -15.386 28.174 -1.919 1.00 0.00 H ATOM 798 N LYS A 52 -15.070 31.315 -1.587 1.00 3.99 N ATOM 799 CA LYS A 52 -15.345 32.636 -1.096 1.00 4.41 C ATOM 800 C LYS A 52 -15.728 32.700 0.389 1.00 6.54 C ATOM 801 O LYS A 52 -15.940 33.772 0.937 1.00 6.39 O ATOM 802 CB LYS A 52 -16.428 33.155 -1.913 1.00 5.08 C ATOM 803 CG LYS A 52 -16.502 34.664 -2.036 1.00 4.53 C ATOM 804 CD LYS A 52 -17.880 34.708 -2.635 1.00 6.87 C ATOM 805 CE LYS A 52 -18.215 36.032 -3.122 1.00 7.65 C ATOM 806 NZ LYS A 52 -19.644 36.078 -3.358 1.00 10.26 N ATOM 807 HA LYS A 52 -14.432 33.228 -1.168 1.00 0.00 H ATOM 808 HB2 LYS A 52 -16.317 32.743 -2.916 1.00 0.00 H ATOM 809 HB3 LYS A 52 -17.367 32.809 -1.482 1.00 0.00 H ATOM 810 HG2 LYS A 52 -16.446 35.168 -1.071 1.00 0.00 H ATOM 811 HG3 LYS A 52 -15.740 35.070 -2.702 1.00 0.00 H ATOM 812 HD2 LYS A 52 -17.926 34.004 -3.466 1.00 0.00 H ATOM 813 HD3 LYS A 52 -18.605 34.418 -1.874 1.00 0.00 H ATOM 814 HE2 LYS A 52 -17.680 36.230 -4.051 1.00 0.00 H ATOM 815 HE3 LYS A 52 -17.939 36.780 -2.379 1.00 0.00 H ATOM 816 HZ1 LYS A 52 -19.901 35.360 -4.066 1.00 0.00 H ATOM 817 HZ2 LYS A 52 -20.147 35.885 -2.469 1.00 0.00 H ATOM 818 HZ3 LYS A 52 -19.906 37.021 -3.709 1.00 0.00 H ATOM 819 H LYS A 52 -15.820 30.777 -2.067 1.00 0.00 H ATOM 820 N GLN A 53 -15.837 31.568 1.075 1.00 5.52 N ATOM 821 CA GLN A 53 -16.176 31.499 2.493 1.00 7.26 C ATOM 822 C GLN A 53 -17.576 32.007 2.816 1.00 6.71 C ATOM 823 O GLN A 53 -17.799 32.694 3.817 1.00 7.22 O ATOM 824 CB GLN A 53 -15.187 32.299 3.326 1.00 6.90 C ATOM 825 CG GLN A 53 -13.779 31.776 3.383 1.00 8.41 C ATOM 826 CD GLN A 53 -12.830 32.888 3.804 1.00 8.08 C ATOM 827 OE1 GLN A 53 -13.079 33.689 4.708 1.00 7.07 O ATOM 828 NE2 GLN A 53 -11.692 32.944 3.122 1.00 10.24 N ATOM 829 HA GLN A 53 -16.134 30.438 2.741 1.00 0.00 H ATOM 830 HB2 GLN A 53 -15.149 33.308 2.916 1.00 0.00 H ATOM 831 HB3 GLN A 53 -15.568 32.337 4.347 1.00 0.00 H ATOM 832 HG2 GLN A 53 -13.725 30.961 4.105 1.00 0.00 H ATOM 833 HG3 GLN A 53 -13.490 31.407 2.399 1.00 0.00 H ATOM 834 HE22 GLN A 53 -11.506 32.257 2.364 1.00 0.00 H ATOM 835 HE21 GLN A 53 -10.987 33.675 3.346 1.00 0.00 H ATOM 836 H GLN A 53 -15.670 30.674 0.570 1.00 0.00 H ATOM 837 N GLU A 54 -18.543 31.690 1.952 1.00 3.31 N ATOM 838 CA GLU A 54 -19.894 32.111 2.225 1.00 4.11 C ATOM 839 C GLU A 54 -20.875 30.974 2.490 1.00 2.44 C ATOM 840 O GLU A 54 -22.046 31.239 2.692 1.00 2.19 O ATOM 841 CB GLU A 54 -20.399 32.938 1.093 1.00 6.18 C ATOM 842 CG GLU A 54 -20.432 32.234 -0.262 1.00 7.49 C ATOM 843 CD GLU A 54 -20.954 33.131 -1.372 1.00 8.80 C ATOM 844 OE1 GLU A 54 -21.246 34.302 -1.109 1.00 10.56 O ATOM 845 OE2 GLU A 54 -21.048 32.680 -2.509 1.00 3.57 O ATOM 846 HA GLU A 54 -19.841 32.686 3.149 1.00 0.00 H ATOM 847 HB2 GLU A 54 -21.414 33.256 1.333 1.00 0.00 H ATOM 848 HB3 GLU A 54 -19.757 33.814 1.003 1.00 0.00 H ATOM 849 HG2 GLU A 54 -19.421 31.916 -0.516 1.00 0.00 H ATOM 850 HG3 GLU A 54 -21.078 31.359 -0.186 1.00 0.00 H ATOM 851 H GLU A 54 -18.324 31.146 1.093 1.00 0.00 H ATOM 852 N VAL A 55 -20.426 29.731 2.434 1.00 2.00 N ATOM 853 CA VAL A 55 -21.207 28.576 2.828 1.00 2.05 C ATOM 854 C VAL A 55 -20.435 27.832 3.927 1.00 2.45 C ATOM 855 O VAL A 55 -19.276 28.181 4.247 1.00 2.43 O ATOM 856 CB VAL A 55 -21.462 27.621 1.630 1.00 2.04 C ATOM 857 CG1 VAL A 55 -22.515 28.301 0.781 1.00 2.03 C ATOM 858 CG2 VAL A 55 -20.176 27.274 0.863 1.00 2.00 C ATOM 859 HA VAL A 55 -22.179 28.911 3.191 1.00 0.00 H ATOM 860 HB VAL A 55 -21.817 26.646 1.965 1.00 0.00 H ATOM 861 HG11 VAL A 55 -23.419 28.446 1.373 1.00 0.00 H ATOM 862 HG12 VAL A 55 -22.140 29.268 0.445 1.00 0.00 H ATOM 863 HG13 VAL A 55 -22.741 27.677 -0.084 1.00 0.00 H ATOM 864 HG21 VAL A 55 -19.730 28.188 0.472 1.00 0.00 H ATOM 865 HG22 VAL A 55 -19.473 26.784 1.537 1.00 0.00 H ATOM 866 HG23 VAL A 55 -20.416 26.604 0.037 1.00 0.00 H ATOM 867 H VAL A 55 -19.458 29.574 2.088 1.00 0.00 H ATOM 868 N ILE A 56 -21.045 26.818 4.539 1.00 2.91 N ATOM 869 CA ILE A 56 -20.397 26.096 5.610 1.00 2.47 C ATOM 870 C ILE A 56 -19.265 25.228 5.041 1.00 2.36 C ATOM 871 O ILE A 56 -19.276 24.771 3.869 1.00 2.00 O ATOM 872 CB ILE A 56 -21.445 25.203 6.440 1.00 4.27 C ATOM 873 CG1 ILE A 56 -22.362 24.361 5.545 1.00 5.57 C ATOM 874 CG2 ILE A 56 -22.292 26.149 7.300 1.00 3.68 C ATOM 875 CD1 ILE A 56 -23.172 23.244 6.258 1.00 5.31 C ATOM 876 HA ILE A 56 -19.973 26.821 6.305 1.00 0.00 H ATOM 877 HB ILE A 56 -20.881 24.498 7.050 1.00 0.00 H ATOM 878 HG12 ILE A 56 -23.073 25.035 5.067 1.00 0.00 H ATOM 879 HG13 ILE A 56 -21.742 23.889 4.783 1.00 0.00 H ATOM 880 HD11 ILE A 56 -22.484 22.543 6.731 1.00 0.00 H ATOM 881 HD12 ILE A 56 -23.815 23.691 7.016 1.00 0.00 H ATOM 882 HD13 ILE A 56 -23.783 22.716 5.526 1.00 0.00 H ATOM 883 HG21 ILE A 56 -21.642 26.699 7.980 1.00 0.00 H ATOM 884 HG22 ILE A 56 -22.821 26.850 6.654 1.00 0.00 H ATOM 885 HG23 ILE A 56 -23.013 25.568 7.875 1.00 0.00 H ATOM 886 H ILE A 56 -22.002 26.542 4.241 1.00 0.00 H ATOM 887 N ARG A 57 -18.255 24.993 5.906 1.00 3.25 N ATOM 888 CA ARG A 57 -17.056 24.249 5.494 1.00 4.24 C ATOM 889 C ARG A 57 -17.338 22.860 4.927 1.00 2.00 C ATOM 890 O ARG A 57 -16.651 22.461 4.007 1.00 2.00 O ATOM 891 CB ARG A 57 -16.085 24.138 6.711 1.00 6.66 C ATOM 892 CG ARG A 57 -14.783 23.429 6.372 1.00 10.53 C ATOM 893 CD ARG A 57 -13.769 23.332 7.514 1.00 14.34 C ATOM 894 NE ARG A 57 -12.635 22.601 6.936 1.00 15.24 N ATOM 895 CZ ARG A 57 -11.559 22.154 7.607 1.00 17.74 C ATOM 896 NH1 ARG A 57 -11.372 22.335 8.925 1.00 18.93 N ATOM 897 NH2 ARG A 57 -10.634 21.491 6.894 1.00 19.11 N ATOM 898 HA ARG A 57 -16.607 24.813 4.676 1.00 0.00 H ATOM 899 HB2 ARG A 57 -15.852 25.143 7.062 1.00 0.00 H ATOM 900 HB3 ARG A 57 -16.585 23.584 7.505 1.00 0.00 H ATOM 901 HG2 ARG A 57 -15.026 22.416 6.051 1.00 0.00 H ATOM 902 HG3 ARG A 57 -14.312 23.967 5.549 1.00 0.00 H ATOM 903 HD2 ARG A 57 -14.190 22.786 8.358 1.00 0.00 H ATOM 904 HD3 ARG A 57 -13.461 24.325 7.842 1.00 0.00 H ATOM 905 HE ARG A 57 -12.667 22.411 5.914 1.00 0.00 H ATOM 906 HH12 ARG A 57 -10.516 21.964 9.385 1.00 0.00 H ATOM 907 HH11 ARG A 57 -12.083 22.847 9.486 1.00 0.00 H ATOM 908 HH22 ARG A 57 -9.781 21.123 7.363 1.00 0.00 H ATOM 909 HH21 ARG A 57 -10.770 21.345 5.873 1.00 0.00 H ATOM 910 H ARG A 57 -18.327 25.345 6.882 1.00 0.00 H ATOM 911 N GLY A 58 -18.300 22.077 5.373 1.00 2.00 N ATOM 912 CA GLY A 58 -18.575 20.785 4.781 1.00 2.00 C ATOM 913 C GLY A 58 -19.109 20.901 3.343 1.00 2.93 C ATOM 914 O GLY A 58 -18.984 19.929 2.577 1.00 2.06 O ATOM 915 HA3 GLY A 58 -19.318 20.271 5.391 1.00 0.00 H ATOM 916 HA2 GLY A 58 -17.654 20.203 4.767 1.00 0.00 H ATOM 917 H GLY A 58 -18.879 22.397 6.175 1.00 0.00 H ATOM 918 N TRP A 59 -19.706 22.055 2.966 1.00 2.66 N ATOM 919 CA TRP A 59 -20.123 22.326 1.575 1.00 2.01 C ATOM 920 C TRP A 59 -18.916 22.642 0.672 1.00 4.56 C ATOM 921 O TRP A 59 -18.701 21.945 -0.342 1.00 3.85 O ATOM 922 CB TRP A 59 -21.122 23.503 1.533 1.00 2.42 C ATOM 923 CG TRP A 59 -22.563 23.014 1.513 1.00 3.74 C ATOM 924 CD1 TRP A 59 -23.083 22.196 2.501 1.00 2.71 C ATOM 925 CD2 TRP A 59 -23.489 23.284 0.519 1.00 5.38 C ATOM 926 NE1 TRP A 59 -24.324 21.952 2.126 1.00 4.59 N ATOM 927 CE2 TRP A 59 -24.601 22.575 0.958 1.00 4.49 C ATOM 928 CE3 TRP A 59 -23.511 24.020 -0.664 1.00 4.69 C ATOM 929 CZ2 TRP A 59 -25.761 22.590 0.219 1.00 6.46 C ATOM 930 CZ3 TRP A 59 -24.666 24.028 -1.396 1.00 6.70 C ATOM 931 CH2 TRP A 59 -25.774 23.323 -0.959 1.00 7.96 C ATOM 932 HA TRP A 59 -20.605 21.424 1.198 1.00 0.00 H ATOM 933 HB2 TRP A 59 -20.972 24.126 2.414 1.00 0.00 H ATOM 934 HB3 TRP A 59 -20.936 24.093 0.636 1.00 0.00 H ATOM 935 HE1 TRP A 59 -24.997 21.362 2.656 1.00 0.00 H ATOM 936 HD1 TRP A 59 -22.577 21.832 3.395 1.00 0.00 H ATOM 937 HZ2 TRP A 59 -26.644 22.042 0.549 1.00 0.00 H ATOM 938 HH2 TRP A 59 -26.684 23.344 -1.558 1.00 0.00 H ATOM 939 HZ3 TRP A 59 -24.714 24.592 -2.328 1.00 0.00 H ATOM 940 HE3 TRP A 59 -22.633 24.573 -0.996 1.00 0.00 H ATOM 941 H TRP A 59 -19.879 22.784 3.688 1.00 0.00 H ATOM 942 N GLU A 60 -18.065 23.628 1.017 1.00 5.21 N ATOM 943 CA GLU A 60 -16.814 23.918 0.287 1.00 6.47 C ATOM 944 C GLU A 60 -16.026 22.635 -0.010 1.00 6.41 C ATOM 945 O GLU A 60 -15.460 22.399 -1.097 1.00 4.95 O ATOM 946 CB GLU A 60 -15.837 24.805 1.101 1.00 8.59 C ATOM 947 CG GLU A 60 -16.318 26.162 1.623 1.00 12.19 C ATOM 948 CD GLU A 60 -16.262 27.342 0.645 1.00 14.08 C ATOM 949 OE1 GLU A 60 -16.710 27.198 -0.488 1.00 15.05 O ATOM 950 OE2 GLU A 60 -15.786 28.414 1.018 1.00 12.54 O ATOM 951 HA GLU A 60 -17.140 24.424 -0.621 1.00 0.00 H ATOM 952 HB2 GLU A 60 -15.525 24.223 1.968 1.00 0.00 H ATOM 953 HB3 GLU A 60 -14.974 24.997 0.463 1.00 0.00 H ATOM 954 HG2 GLU A 60 -17.355 26.045 1.939 1.00 0.00 H ATOM 955 HG3 GLU A 60 -15.704 26.420 2.486 1.00 0.00 H ATOM 956 H GLU A 60 -18.302 24.216 1.841 1.00 0.00 H ATOM 957 N GLU A 61 -15.943 21.785 1.016 1.00 5.65 N ATOM 958 CA GLU A 61 -15.231 20.520 0.898 1.00 6.52 C ATOM 959 C GLU A 61 -16.004 19.445 0.178 1.00 5.27 C ATOM 960 O GLU A 61 -15.414 18.659 -0.573 1.00 3.77 O ATOM 961 CB GLU A 61 -14.871 20.003 2.284 1.00 9.22 C ATOM 962 CG GLU A 61 -14.042 21.022 3.084 1.00 14.36 C ATOM 963 CD GLU A 61 -12.589 20.618 3.304 1.00 19.08 C ATOM 964 OE1 GLU A 61 -11.806 20.751 2.364 1.00 20.27 O ATOM 965 OE2 GLU A 61 -12.266 20.142 4.397 1.00 17.50 O ATOM 966 HA GLU A 61 -14.344 20.734 0.302 1.00 0.00 H ATOM 967 HB2 GLU A 61 -15.790 19.791 2.830 1.00 0.00 H ATOM 968 HB3 GLU A 61 -14.293 19.085 2.178 1.00 0.00 H ATOM 969 HG2 GLU A 61 -14.055 21.970 2.546 1.00 0.00 H ATOM 970 HG3 GLU A 61 -14.511 21.153 4.059 1.00 0.00 H ATOM 971 H GLU A 61 -16.396 22.031 1.919 1.00 0.00 H ATOM 972 N GLY A 62 -17.323 19.384 0.338 1.00 2.00 N ATOM 973 CA GLY A 62 -18.057 18.306 -0.255 1.00 2.02 C ATOM 974 C GLY A 62 -18.429 18.519 -1.700 1.00 2.26 C ATOM 975 O GLY A 62 -18.282 17.631 -2.563 1.00 4.04 O ATOM 976 HA3 GLY A 62 -18.975 18.165 0.315 1.00 0.00 H ATOM 977 HA2 GLY A 62 -17.449 17.404 -0.190 1.00 0.00 H ATOM 978 H GLY A 62 -17.818 20.114 0.890 1.00 0.00 H ATOM 979 N VAL A 63 -18.927 19.699 -2.008 1.00 2.35 N ATOM 980 CA VAL A 63 -19.311 19.963 -3.362 1.00 3.82 C ATOM 981 C VAL A 63 -18.048 19.998 -4.259 1.00 3.38 C ATOM 982 O VAL A 63 -18.108 19.608 -5.431 1.00 2.43 O ATOM 983 CB VAL A 63 -20.150 21.283 -3.366 1.00 3.21 C ATOM 984 CG1 VAL A 63 -20.502 21.608 -4.815 1.00 2.73 C ATOM 985 CG2 VAL A 63 -21.526 21.106 -2.656 1.00 5.35 C ATOM 986 HA VAL A 63 -19.940 19.178 -3.781 1.00 0.00 H ATOM 987 HB VAL A 63 -19.558 22.047 -2.862 1.00 0.00 H ATOM 988 HG11 VAL A 63 -19.585 21.740 -5.389 1.00 0.00 H ATOM 989 HG12 VAL A 63 -21.083 20.789 -5.239 1.00 0.00 H ATOM 990 HG13 VAL A 63 -21.089 22.526 -4.848 1.00 0.00 H ATOM 991 HG21 VAL A 63 -22.102 20.336 -3.169 1.00 0.00 H ATOM 992 HG22 VAL A 63 -21.363 20.810 -1.620 1.00 0.00 H ATOM 993 HG23 VAL A 63 -22.072 22.049 -2.684 1.00 0.00 H ATOM 994 H VAL A 63 -19.040 20.430 -1.277 1.00 0.00 H ATOM 995 N ALA A 64 -16.853 20.337 -3.758 1.00 2.32 N ATOM 996 CA ALA A 64 -15.651 20.298 -4.572 1.00 2.00 C ATOM 997 C ALA A 64 -15.308 18.884 -5.034 1.00 2.06 C ATOM 998 O ALA A 64 -14.616 18.690 -6.031 1.00 3.03 O ATOM 999 CB ALA A 64 -14.459 20.816 -3.816 1.00 2.22 C ATOM 1000 HA ALA A 64 -15.866 20.928 -5.435 1.00 0.00 H ATOM 1001 HB1 ALA A 64 -14.641 21.848 -3.516 1.00 0.00 H ATOM 1002 HB2 ALA A 64 -14.297 20.202 -2.930 1.00 0.00 H ATOM 1003 HB3 ALA A 64 -13.578 20.772 -4.456 1.00 0.00 H ATOM 1004 H ALA A 64 -16.784 20.635 -2.764 1.00 0.00 H ATOM 1005 N GLN A 65 -15.868 17.874 -4.353 1.00 2.11 N ATOM 1006 CA GLN A 65 -15.704 16.494 -4.741 1.00 2.06 C ATOM 1007 C GLN A 65 -16.684 16.058 -5.792 1.00 2.00 C ATOM 1008 O GLN A 65 -16.638 14.907 -6.188 1.00 2.00 O ATOM 1009 CB GLN A 65 -15.861 15.590 -3.532 1.00 2.23 C ATOM 1010 CG GLN A 65 -14.587 15.705 -2.662 1.00 2.09 C ATOM 1011 CD GLN A 65 -14.754 14.926 -1.358 1.00 3.49 C ATOM 1012 OE1 GLN A 65 -14.737 13.705 -1.340 1.00 3.09 O ATOM 1013 NE2 GLN A 65 -14.990 15.574 -0.238 1.00 2.33 N ATOM 1014 HA GLN A 65 -14.702 16.413 -5.162 1.00 0.00 H ATOM 1015 HB2 GLN A 65 -16.731 15.899 -2.953 1.00 0.00 H ATOM 1016 HB3 GLN A 65 -15.991 14.558 -3.859 1.00 0.00 H ATOM 1017 HG2 GLN A 65 -13.738 15.302 -3.214 1.00 0.00 H ATOM 1018 HG3 GLN A 65 -14.404 16.754 -2.432 1.00 0.00 H ATOM 1019 HE22 GLN A 65 -15.009 16.614 -0.233 1.00 0.00 H ATOM 1020 HE21 GLN A 65 -15.158 15.047 0.642 1.00 0.00 H ATOM 1021 H GLN A 65 -16.442 18.093 -3.514 1.00 0.00 H ATOM 1022 N MET A 66 -17.578 16.904 -6.277 1.00 2.34 N ATOM 1023 CA MET A 66 -18.643 16.469 -7.157 1.00 2.31 C ATOM 1024 C MET A 66 -18.366 16.952 -8.562 1.00 2.15 C ATOM 1025 O MET A 66 -17.823 18.032 -8.742 1.00 2.00 O ATOM 1026 CB MET A 66 -19.971 17.031 -6.723 1.00 2.00 C ATOM 1027 CG MET A 66 -20.342 16.565 -5.314 1.00 2.45 C ATOM 1028 SD MET A 66 -21.871 17.299 -4.667 1.00 3.75 S ATOM 1029 CE MET A 66 -23.025 16.643 -5.882 1.00 2.08 C ATOM 1030 HA MET A 66 -18.683 15.380 -7.120 1.00 0.00 H ATOM 1031 HB2 MET A 66 -19.916 18.120 -6.734 1.00 0.00 H ATOM 1032 HB3 MET A 66 -20.741 16.701 -7.420 1.00 0.00 H ATOM 1033 HG2 MET A 66 -19.525 16.826 -4.641 1.00 0.00 H ATOM 1034 HG3 MET A 66 -20.463 15.482 -5.333 1.00 0.00 H ATOM 1035 HE1 MET A 66 -22.741 16.990 -6.875 1.00 0.00 H ATOM 1036 HE2 MET A 66 -22.999 15.554 -5.855 1.00 0.00 H ATOM 1037 HE3 MET A 66 -24.032 16.989 -5.649 1.00 0.00 H ATOM 1038 H MET A 66 -17.514 17.910 -6.019 1.00 0.00 H ATOM 1039 N SER A 67 -18.700 16.130 -9.560 1.00 2.30 N ATOM 1040 CA SER A 67 -18.613 16.491 -10.963 1.00 2.08 C ATOM 1041 C SER A 67 -19.965 17.004 -11.450 1.00 2.00 C ATOM 1042 O SER A 67 -20.990 16.608 -10.887 1.00 2.00 O ATOM 1043 CB SER A 67 -18.197 15.275 -11.750 1.00 2.00 C ATOM 1044 OG SER A 67 -18.881 14.064 -11.459 1.00 2.05 O ATOM 1045 HA SER A 67 -17.876 17.282 -11.101 1.00 0.00 H ATOM 1046 HB2 SER A 67 -17.136 15.108 -11.565 1.00 0.00 H ATOM 1047 HB3 SER A 67 -18.350 15.496 -12.806 1.00 0.00 H ATOM 1048 HG SER A 67 -18.526 13.340 -12.033 1.00 0.00 H ATOM 1049 H SER A 67 -19.042 15.178 -9.318 1.00 0.00 H ATOM 1050 N VAL A 68 -20.025 17.825 -12.485 1.00 2.00 N ATOM 1051 CA VAL A 68 -21.284 18.342 -12.986 1.00 2.47 C ATOM 1052 C VAL A 68 -22.196 17.190 -13.368 1.00 2.15 C ATOM 1053 O VAL A 68 -21.786 16.219 -14.020 1.00 2.01 O ATOM 1054 CB VAL A 68 -21.022 19.270 -14.204 1.00 2.10 C ATOM 1055 CG1 VAL A 68 -22.333 19.753 -14.844 1.00 2.14 C ATOM 1056 CG2 VAL A 68 -20.161 20.394 -13.719 1.00 2.00 C ATOM 1057 HA VAL A 68 -21.776 18.926 -12.208 1.00 0.00 H ATOM 1058 HB VAL A 68 -20.508 18.731 -15.000 1.00 0.00 H ATOM 1059 HG11 VAL A 68 -22.908 18.892 -15.186 1.00 0.00 H ATOM 1060 HG12 VAL A 68 -22.912 20.309 -14.107 1.00 0.00 H ATOM 1061 HG13 VAL A 68 -22.105 20.399 -15.692 1.00 0.00 H ATOM 1062 HG21 VAL A 68 -20.681 20.933 -12.928 1.00 0.00 H ATOM 1063 HG22 VAL A 68 -19.225 19.992 -13.332 1.00 0.00 H ATOM 1064 HG23 VAL A 68 -19.952 21.073 -14.546 1.00 0.00 H ATOM 1065 H VAL A 68 -19.141 18.109 -12.954 1.00 0.00 H ATOM 1066 N GLY A 69 -23.418 17.293 -12.854 1.00 2.40 N ATOM 1067 CA GLY A 69 -24.474 16.335 -13.075 1.00 2.09 C ATOM 1068 C GLY A 69 -24.719 15.430 -11.875 1.00 2.24 C ATOM 1069 O GLY A 69 -25.742 14.729 -11.832 1.00 2.61 O ATOM 1070 HA3 GLY A 69 -24.206 15.714 -13.930 1.00 0.00 H ATOM 1071 HA2 GLY A 69 -25.394 16.877 -13.295 1.00 0.00 H ATOM 1072 H GLY A 69 -23.626 18.117 -12.254 1.00 0.00 H ATOM 1073 N GLN A 70 -23.802 15.435 -10.894 1.00 2.82 N ATOM 1074 CA GLN A 70 -23.880 14.480 -9.837 1.00 2.29 C ATOM 1075 C GLN A 70 -24.805 14.911 -8.738 1.00 2.00 C ATOM 1076 O GLN A 70 -25.002 16.091 -8.485 1.00 2.00 O ATOM 1077 CB GLN A 70 -22.496 14.255 -9.336 1.00 4.50 C ATOM 1078 CG GLN A 70 -22.352 13.028 -8.462 1.00 5.27 C ATOM 1079 CD GLN A 70 -20.964 12.900 -7.817 1.00 4.45 C ATOM 1080 OE1 GLN A 70 -20.742 12.127 -6.879 1.00 6.53 O ATOM 1081 NE2 GLN A 70 -19.955 13.596 -8.308 1.00 2.24 N ATOM 1082 HA GLN A 70 -24.304 13.550 -10.216 1.00 0.00 H ATOM 1083 HB2 GLN A 70 -21.834 14.145 -10.195 1.00 0.00 H ATOM 1084 HB3 GLN A 70 -22.195 15.127 -8.756 1.00 0.00 H ATOM 1085 HG2 GLN A 70 -23.099 13.078 -7.669 1.00 0.00 H ATOM 1086 HG3 GLN A 70 -22.532 12.144 -9.074 1.00 0.00 H ATOM 1087 HE22 GLN A 70 -20.113 14.254 -9.098 1.00 0.00 H ATOM 1088 HE21 GLN A 70 -19.003 13.486 -7.905 1.00 0.00 H ATOM 1089 H GLN A 70 -23.034 16.136 -10.905 1.00 0.00 H ATOM 1090 N ARG A 71 -25.470 13.907 -8.182 1.00 4.23 N ATOM 1091 CA ARG A 71 -26.413 14.086 -7.077 1.00 3.45 C ATOM 1092 C ARG A 71 -25.861 13.155 -6.017 1.00 2.00 C ATOM 1093 O ARG A 71 -25.535 11.998 -6.319 1.00 2.00 O ATOM 1094 CB ARG A 71 -27.827 13.679 -7.478 1.00 2.11 C ATOM 1095 CG ARG A 71 -28.791 13.875 -6.279 1.00 5.11 C ATOM 1096 CD ARG A 71 -30.199 14.071 -6.814 1.00 8.54 C ATOM 1097 NE ARG A 71 -31.149 14.053 -5.711 1.00 9.92 N ATOM 1098 CZ ARG A 71 -32.455 14.183 -5.908 1.00 11.22 C ATOM 1099 NH1 ARG A 71 -32.987 14.338 -7.148 1.00 12.09 N ATOM 1100 NH2 ARG A 71 -33.240 14.173 -4.833 1.00 12.36 N ATOM 1101 HA ARG A 71 -26.497 15.122 -6.749 1.00 0.00 H ATOM 1102 HB2 ARG A 71 -28.158 14.296 -8.313 1.00 0.00 H ATOM 1103 HB3 ARG A 71 -27.831 12.631 -7.778 1.00 0.00 H ATOM 1104 HG2 ARG A 71 -28.762 12.995 -5.636 1.00 0.00 H ATOM 1105 HG3 ARG A 71 -28.491 14.752 -5.706 1.00 0.00 H ATOM 1106 HD2 ARG A 71 -30.437 13.268 -7.511 1.00 0.00 H ATOM 1107 HD3 ARG A 71 -30.261 15.029 -7.330 1.00 0.00 H ATOM 1108 HE ARG A 71 -30.794 13.935 -4.741 1.00 0.00 H ATOM 1109 HH12 ARG A 71 -34.016 14.437 -7.264 1.00 0.00 H ATOM 1110 HH11 ARG A 71 -32.366 14.358 -7.982 1.00 0.00 H ATOM 1111 HH22 ARG A 71 -34.270 14.272 -4.940 1.00 0.00 H ATOM 1112 HH21 ARG A 71 -32.824 14.066 -3.886 1.00 0.00 H ATOM 1113 H ARG A 71 -25.314 12.946 -8.549 1.00 0.00 H ATOM 1114 N ALA A 72 -25.607 13.775 -4.862 1.00 2.87 N ATOM 1115 CA ALA A 72 -25.012 13.106 -3.719 1.00 2.85 C ATOM 1116 C ALA A 72 -25.565 13.559 -2.368 1.00 3.85 C ATOM 1117 O ALA A 72 -26.168 14.637 -2.222 1.00 5.84 O ATOM 1118 CB ALA A 72 -23.509 13.329 -3.701 1.00 2.19 C ATOM 1119 HA ALA A 72 -25.265 12.053 -3.845 1.00 0.00 H ATOM 1120 HB1 ALA A 72 -23.072 12.928 -4.616 1.00 0.00 H ATOM 1121 HB2 ALA A 72 -23.302 14.397 -3.636 1.00 0.00 H ATOM 1122 HB3 ALA A 72 -23.078 12.821 -2.838 1.00 0.00 H ATOM 1123 H ALA A 72 -25.846 14.784 -4.777 1.00 0.00 H ATOM 1124 N LYS A 73 -25.433 12.696 -1.373 1.00 5.73 N ATOM 1125 CA LYS A 73 -25.796 12.988 0.001 1.00 4.79 C ATOM 1126 C LYS A 73 -24.527 13.309 0.783 1.00 5.06 C ATOM 1127 O LYS A 73 -23.570 12.538 0.872 1.00 4.43 O ATOM 1128 CB LYS A 73 -26.496 11.769 0.526 1.00 7.22 C ATOM 1129 CG LYS A 73 -27.043 11.850 1.941 1.00 9.20 C ATOM 1130 CD LYS A 73 -27.302 10.394 2.219 1.00 11.07 C ATOM 1131 CE LYS A 73 -27.859 10.126 3.590 1.00 14.75 C ATOM 1132 NZ LYS A 73 -27.764 8.687 3.896 1.00 16.57 N ATOM 1133 HA LYS A 73 -26.457 13.850 0.091 1.00 0.00 H ATOM 1134 HB2 LYS A 73 -27.333 11.556 -0.140 1.00 0.00 H ATOM 1135 HB3 LYS A 73 -25.787 10.941 0.493 1.00 0.00 H ATOM 1136 HG2 LYS A 73 -26.311 12.268 2.632 1.00 0.00 H ATOM 1137 HG3 LYS A 73 -27.960 12.438 1.985 1.00 0.00 H ATOM 1138 HD2 LYS A 73 -28.014 10.024 1.481 1.00 0.00 H ATOM 1139 HD3 LYS A 73 -26.362 9.852 2.118 1.00 0.00 H ATOM 1140 HE2 LYS A 73 -28.904 10.435 3.623 1.00 0.00 H ATOM 1141 HE3 LYS A 73 -27.291 10.691 4.329 1.00 0.00 H ATOM 1142 HZ1 LYS A 73 -28.307 8.148 3.192 1.00 0.00 H ATOM 1143 HZ2 LYS A 73 -26.767 8.393 3.866 1.00 0.00 H ATOM 1144 HZ3 LYS A 73 -28.151 8.509 4.845 1.00 0.00 H ATOM 1145 H LYS A 73 -25.047 11.755 -1.589 1.00 0.00 H ATOM 1146 N LEU A 74 -24.458 14.481 1.387 1.00 5.22 N ATOM 1147 CA LEU A 74 -23.294 14.940 2.101 1.00 4.39 C ATOM 1148 C LEU A 74 -23.622 14.847 3.579 1.00 3.32 C ATOM 1149 O LEU A 74 -24.575 15.517 4.000 1.00 4.92 O ATOM 1150 CB LEU A 74 -23.050 16.376 1.604 1.00 5.27 C ATOM 1151 CG LEU A 74 -21.988 16.705 0.504 1.00 5.86 C ATOM 1152 CD1 LEU A 74 -21.920 15.623 -0.574 1.00 2.84 C ATOM 1153 CD2 LEU A 74 -22.311 18.107 0.005 1.00 5.61 C ATOM 1154 HA LEU A 74 -22.386 14.360 1.937 1.00 0.00 H ATOM 1155 HB2 LEU A 74 -24.006 16.733 1.221 1.00 0.00 H ATOM 1156 HB3 LEU A 74 -22.771 16.959 2.482 1.00 0.00 H ATOM 1157 HG LEU A 74 -20.972 16.702 0.899 1.00 0.00 H ATOM 1158 HD21 LEU A 74 -23.320 18.121 -0.407 1.00 0.00 H ATOM 1159 HD22 LEU A 74 -22.247 18.811 0.835 1.00 0.00 H ATOM 1160 HD23 LEU A 74 -21.597 18.389 -0.769 1.00 0.00 H ATOM 1161 HD11 LEU A 74 -21.650 14.672 -0.116 1.00 0.00 H ATOM 1162 HD12 LEU A 74 -22.893 15.532 -1.058 1.00 0.00 H ATOM 1163 HD13 LEU A 74 -21.169 15.897 -1.315 1.00 0.00 H ATOM 1164 H LEU A 74 -25.288 15.106 1.345 1.00 0.00 H ATOM 1165 N THR A 75 -22.973 14.001 4.381 1.00 2.21 N ATOM 1166 CA THR A 75 -23.231 13.967 5.835 1.00 3.18 C ATOM 1167 C THR A 75 -22.102 14.797 6.482 1.00 5.53 C ATOM 1168 O THR A 75 -20.917 14.461 6.291 1.00 2.15 O ATOM 1169 CB THR A 75 -23.212 12.494 6.291 1.00 4.54 C ATOM 1170 OG1 THR A 75 -24.217 11.857 5.521 1.00 5.76 O ATOM 1171 CG2 THR A 75 -23.453 12.305 7.772 1.00 3.49 C ATOM 1172 HA THR A 75 -24.198 14.382 6.119 1.00 0.00 H ATOM 1173 HB THR A 75 -22.222 12.066 6.133 1.00 0.00 H ATOM 1174 HG1 THR A 75 -23.999 11.945 4.559 1.00 0.00 H ATOM 1175 HG23 THR A 75 -22.665 12.806 8.334 1.00 0.00 H ATOM 1176 HG21 THR A 75 -24.419 12.733 8.039 1.00 0.00 H ATOM 1177 HG22 THR A 75 -23.448 11.241 8.007 1.00 0.00 H ATOM 1178 H THR A 75 -22.270 13.351 3.974 1.00 0.00 H ATOM 1179 N ILE A 76 -22.454 15.866 7.202 1.00 2.00 N ATOM 1180 CA ILE A 76 -21.514 16.870 7.647 1.00 2.17 C ATOM 1181 C ILE A 76 -21.535 16.918 9.180 1.00 2.90 C ATOM 1182 O ILE A 76 -22.609 17.109 9.784 1.00 3.36 O ATOM 1183 CB ILE A 76 -21.939 18.250 7.075 1.00 2.04 C ATOM 1184 CG1 ILE A 76 -22.094 18.150 5.561 1.00 2.00 C ATOM 1185 CG2 ILE A 76 -20.972 19.326 7.532 1.00 2.00 C ATOM 1186 CD1 ILE A 76 -22.566 19.427 4.874 1.00 2.00 C ATOM 1187 HA ILE A 76 -20.509 16.629 7.301 1.00 0.00 H ATOM 1188 HB ILE A 76 -22.914 18.545 7.464 1.00 0.00 H ATOM 1189 HG12 ILE A 76 -21.127 17.877 5.139 1.00 0.00 H ATOM 1190 HG13 ILE A 76 -22.817 17.363 5.346 1.00 0.00 H ATOM 1191 HD11 ILE A 76 -23.541 19.712 5.270 1.00 0.00 H ATOM 1192 HD12 ILE A 76 -21.849 20.226 5.062 1.00 0.00 H ATOM 1193 HD13 ILE A 76 -22.645 19.253 3.801 1.00 0.00 H ATOM 1194 HG21 ILE A 76 -20.973 19.375 8.621 1.00 0.00 H ATOM 1195 HG22 ILE A 76 -19.969 19.086 7.178 1.00 0.00 H ATOM 1196 HG23 ILE A 76 -21.282 20.288 7.124 1.00 0.00 H ATOM 1197 H ILE A 76 -23.456 15.982 7.455 1.00 0.00 H ATOM 1198 N SER A 77 -20.367 16.706 9.799 1.00 2.00 N ATOM 1199 CA SER A 77 -20.239 16.779 11.245 1.00 2.58 C ATOM 1200 C SER A 77 -20.470 18.204 11.736 1.00 3.63 C ATOM 1201 O SER A 77 -20.096 19.138 11.005 1.00 2.11 O ATOM 1202 CB SER A 77 -18.833 16.339 11.684 1.00 2.42 C ATOM 1203 OG SER A 77 -17.740 17.146 11.204 1.00 4.94 O ATOM 1204 HA SER A 77 -20.989 16.115 11.675 1.00 0.00 H ATOM 1205 HB2 SER A 77 -18.676 15.320 11.330 1.00 0.00 H ATOM 1206 HB3 SER A 77 -18.804 16.352 12.774 1.00 0.00 H ATOM 1207 HG SER A 77 -17.851 18.075 11.526 1.00 0.00 H ATOM 1208 H SER A 77 -19.527 16.483 9.229 1.00 0.00 H ATOM 1209 N PRO A 78 -20.911 18.463 12.979 1.00 2.00 N ATOM 1210 CA PRO A 78 -21.179 19.798 13.465 1.00 2.12 C ATOM 1211 C PRO A 78 -20.022 20.757 13.348 1.00 2.38 C ATOM 1212 O PRO A 78 -20.249 21.926 13.025 1.00 6.21 O ATOM 1213 CB PRO A 78 -21.666 19.633 14.923 1.00 2.04 C ATOM 1214 CG PRO A 78 -21.451 18.165 15.256 1.00 2.00 C ATOM 1215 CD PRO A 78 -21.401 17.453 13.917 1.00 2.04 C ATOM 1216 HA PRO A 78 -21.937 20.266 12.836 1.00 0.00 H ATOM 1217 HD3 PRO A 78 -20.720 16.603 13.958 1.00 0.00 H ATOM 1218 HD2 PRO A 78 -22.393 17.108 13.627 1.00 0.00 H ATOM 1219 HG3 PRO A 78 -22.275 17.786 15.860 1.00 0.00 H ATOM 1220 HG2 PRO A 78 -20.514 18.029 15.796 1.00 0.00 H ATOM 1221 HB2 PRO A 78 -21.085 20.266 15.594 1.00 0.00 H ATOM 1222 HB3 PRO A 78 -22.722 19.892 15.005 1.00 0.00 H ATOM 1223 N ASP A 79 -18.789 20.282 13.525 1.00 4.75 N ATOM 1224 CA ASP A 79 -17.645 21.165 13.442 1.00 5.91 C ATOM 1225 C ASP A 79 -17.356 21.667 12.034 1.00 6.52 C ATOM 1226 O ASP A 79 -16.547 22.578 11.862 1.00 5.97 O ATOM 1227 CB ASP A 79 -16.389 20.448 14.026 1.00 8.82 C ATOM 1228 CG ASP A 79 -15.860 19.212 13.324 1.00 12.39 C ATOM 1229 OD1 ASP A 79 -16.506 18.168 13.376 1.00 14.22 O ATOM 1230 OD2 ASP A 79 -14.778 19.280 12.728 1.00 15.85 O ATOM 1231 HA ASP A 79 -17.890 22.049 14.031 1.00 0.00 H ATOM 1232 HB2 ASP A 79 -15.581 21.179 14.041 1.00 0.00 H ATOM 1233 HB3 ASP A 79 -16.632 20.157 15.048 1.00 0.00 H ATOM 1234 H ASP A 79 -18.648 19.271 13.724 1.00 0.00 H ATOM 1235 N TYR A 80 -17.991 21.016 11.040 1.00 5.54 N ATOM 1236 CA TYR A 80 -17.948 21.360 9.629 1.00 5.25 C ATOM 1237 C TYR A 80 -19.219 22.046 9.181 1.00 3.95 C ATOM 1238 O TYR A 80 -19.490 22.227 7.992 1.00 2.27 O ATOM 1239 CB TYR A 80 -17.794 20.125 8.829 1.00 5.38 C ATOM 1240 CG TYR A 80 -16.352 19.800 8.658 1.00 9.01 C ATOM 1241 CD1 TYR A 80 -15.584 19.451 9.742 1.00 9.02 C ATOM 1242 CD2 TYR A 80 -15.838 19.851 7.386 1.00 9.72 C ATOM 1243 CE1 TYR A 80 -14.266 19.133 9.557 1.00 11.03 C ATOM 1244 CE2 TYR A 80 -14.515 19.540 7.186 1.00 10.74 C ATOM 1245 CZ TYR A 80 -13.738 19.177 8.276 1.00 11.52 C ATOM 1246 OH TYR A 80 -12.429 18.791 8.050 1.00 10.51 O ATOM 1247 HA TYR A 80 -17.107 22.038 9.482 1.00 0.00 H ATOM 1248 HB3 TYR A 80 -18.249 20.271 7.849 1.00 0.00 H ATOM 1249 HB2 TYR A 80 -18.291 19.300 9.340 1.00 0.00 H ATOM 1250 HD2 TYR A 80 -16.472 20.135 6.546 1.00 0.00 H ATOM 1251 HE2 TYR A 80 -14.083 19.578 6.186 1.00 0.00 H ATOM 1252 HE1 TYR A 80 -13.641 18.849 10.404 1.00 0.00 H ATOM 1253 HD1 TYR A 80 -16.020 19.428 10.741 1.00 0.00 H ATOM 1254 HH TYR A 80 -12.000 18.562 8.912 1.00 0.00 H ATOM 1255 H TYR A 80 -18.565 20.191 11.307 1.00 0.00 H ATOM 1256 N ALA A 81 -20.044 22.426 10.129 1.00 3.70 N ATOM 1257 CA ALA A 81 -21.329 23.038 9.845 1.00 2.09 C ATOM 1258 C ALA A 81 -21.470 24.182 10.838 1.00 2.54 C ATOM 1259 O ALA A 81 -20.610 25.062 10.798 1.00 2.00 O ATOM 1260 CB ALA A 81 -22.403 21.955 10.004 1.00 2.00 C ATOM 1261 HA ALA A 81 -21.427 23.437 8.835 1.00 0.00 H ATOM 1262 HB1 ALA A 81 -22.205 21.143 9.304 1.00 0.00 H ATOM 1263 HB2 ALA A 81 -22.381 21.571 11.024 1.00 0.00 H ATOM 1264 HB3 ALA A 81 -23.383 22.384 9.797 1.00 0.00 H ATOM 1265 H ALA A 81 -19.766 22.283 11.121 1.00 0.00 H ATOM 1266 N TYR A 82 -22.445 24.202 11.776 1.00 3.23 N ATOM 1267 CA TYR A 82 -22.726 25.326 12.678 1.00 2.24 C ATOM 1268 C TYR A 82 -22.211 25.160 14.132 1.00 3.91 C ATOM 1269 O TYR A 82 -22.443 26.005 15.022 1.00 3.42 O ATOM 1270 CB TYR A 82 -24.246 25.535 12.636 1.00 3.55 C ATOM 1271 CG TYR A 82 -24.732 25.969 11.270 1.00 2.13 C ATOM 1272 CD1 TYR A 82 -24.434 27.248 10.780 1.00 3.05 C ATOM 1273 CD2 TYR A 82 -25.434 25.065 10.484 1.00 3.38 C ATOM 1274 CE1 TYR A 82 -24.824 27.623 9.504 1.00 3.83 C ATOM 1275 CE2 TYR A 82 -25.821 25.435 9.213 1.00 3.32 C ATOM 1276 CZ TYR A 82 -25.517 26.698 8.736 1.00 2.65 C ATOM 1277 OH TYR A 82 -25.913 27.020 7.454 1.00 6.84 O ATOM 1278 HA TYR A 82 -22.173 26.198 12.328 1.00 0.00 H ATOM 1279 HB3 TYR A 82 -24.514 26.302 13.363 1.00 0.00 H ATOM 1280 HB2 TYR A 82 -24.736 24.598 12.901 1.00 0.00 H ATOM 1281 HD2 TYR A 82 -25.677 24.074 10.867 1.00 0.00 H ATOM 1282 HE2 TYR A 82 -26.367 24.732 8.584 1.00 0.00 H ATOM 1283 HE1 TYR A 82 -24.593 28.615 9.115 1.00 0.00 H ATOM 1284 HD1 TYR A 82 -23.891 27.954 11.408 1.00 0.00 H ATOM 1285 HH TYR A 82 -26.898 26.950 7.387 1.00 0.00 H ATOM 1286 H TYR A 82 -23.042 23.355 11.865 1.00 0.00 H ATOM 1287 N GLY A 83 -21.489 24.043 14.384 1.00 2.04 N ATOM 1288 CA GLY A 83 -20.795 23.804 15.621 1.00 3.96 C ATOM 1289 C GLY A 83 -21.748 23.831 16.793 1.00 5.99 C ATOM 1290 O GLY A 83 -22.835 23.251 16.804 1.00 2.62 O ATOM 1291 HA3 GLY A 83 -20.038 24.576 15.760 1.00 0.00 H ATOM 1292 HA2 GLY A 83 -20.313 22.827 15.576 1.00 0.00 H ATOM 1293 H GLY A 83 -21.433 23.317 13.642 1.00 0.00 H ATOM 1294 N ALA A 84 -21.242 24.495 17.819 1.00 7.64 N ATOM 1295 CA ALA A 84 -21.987 24.613 19.059 1.00 8.23 C ATOM 1296 C ALA A 84 -23.005 25.737 18.977 1.00 9.75 C ATOM 1297 O ALA A 84 -23.932 25.708 19.776 1.00 10.11 O ATOM 1298 CB ALA A 84 -21.028 24.877 20.192 1.00 9.35 C ATOM 1299 HA ALA A 84 -22.523 23.680 19.234 1.00 0.00 H ATOM 1300 HB1 ALA A 84 -20.321 24.051 20.267 1.00 0.00 H ATOM 1301 HB2 ALA A 84 -20.487 25.804 20.000 1.00 0.00 H ATOM 1302 HB3 ALA A 84 -21.585 24.966 21.125 1.00 0.00 H ATOM 1303 H ALA A 84 -20.304 24.936 17.737 1.00 0.00 H ATOM 1304 N THR A 85 -22.899 26.701 18.050 1.00 10.35 N ATOM 1305 CA THR A 85 -23.947 27.704 17.945 1.00 11.80 C ATOM 1306 C THR A 85 -25.231 27.146 17.345 1.00 11.44 C ATOM 1307 O THR A 85 -26.357 27.433 17.791 1.00 13.50 O ATOM 1308 CB THR A 85 -23.444 28.855 17.070 1.00 12.18 C ATOM 1309 OG1 THR A 85 -22.123 29.138 17.458 1.00 13.76 O ATOM 1310 CG2 THR A 85 -24.242 30.115 17.260 1.00 12.85 C ATOM 1311 HA THR A 85 -24.180 28.047 18.953 1.00 0.00 H ATOM 1312 HB THR A 85 -23.530 28.547 16.028 1.00 0.00 H ATOM 1313 HG1 THR A 85 -21.770 29.881 16.907 1.00 0.00 H ATOM 1314 HG23 THR A 85 -25.277 29.936 16.969 1.00 0.00 H ATOM 1315 HG21 THR A 85 -24.205 30.413 18.308 1.00 0.00 H ATOM 1316 HG22 THR A 85 -23.821 30.907 16.641 1.00 0.00 H ATOM 1317 H THR A 85 -22.077 26.731 17.414 1.00 0.00 H ATOM 1318 N GLY A 86 -25.095 26.355 16.278 1.00 9.98 N ATOM 1319 CA GLY A 86 -26.292 25.965 15.538 1.00 8.62 C ATOM 1320 C GLY A 86 -26.770 27.187 14.751 1.00 5.63 C ATOM 1321 O GLY A 86 -26.056 28.181 14.598 1.00 6.65 O ATOM 1322 HA3 GLY A 86 -27.069 25.642 16.231 1.00 0.00 H ATOM 1323 HA2 GLY A 86 -26.057 25.150 14.853 1.00 0.00 H ATOM 1324 H GLY A 86 -24.155 26.023 15.980 1.00 0.00 H ATOM 1325 N HIS A 87 -27.953 27.176 14.162 1.00 6.67 N ATOM 1326 CA HIS A 87 -28.406 28.351 13.431 1.00 8.71 C ATOM 1327 C HIS A 87 -29.658 28.758 14.171 1.00 5.88 C ATOM 1328 O HIS A 87 -30.613 27.959 14.117 1.00 6.76 O ATOM 1329 CB HIS A 87 -28.757 28.012 11.992 1.00 10.42 C ATOM 1330 CG HIS A 87 -29.061 29.246 11.143 1.00 14.33 C ATOM 1331 ND1 HIS A 87 -30.198 29.958 11.044 1.00 15.88 N ATOM 1332 CD2 HIS A 87 -28.133 29.849 10.319 1.00 14.59 C ATOM 1333 CE1 HIS A 87 -29.992 30.952 10.211 1.00 15.05 C ATOM 1334 NE2 HIS A 87 -28.745 30.874 9.784 1.00 15.30 N ATOM 1335 HA HIS A 87 -27.642 29.127 13.385 1.00 0.00 H ATOM 1336 HB2 HIS A 87 -27.916 27.482 11.545 1.00 0.00 H ATOM 1337 HB3 HIS A 87 -29.634 27.365 11.992 1.00 0.00 H ATOM 1338 HD2 HIS A 87 -27.103 29.536 10.149 1.00 0.00 H ATOM 1339 HE1 HIS A 87 -30.722 31.708 9.923 1.00 0.00 H ATOM 1340 H HIS A 87 -28.558 26.332 14.220 1.00 0.00 H ATOM 1341 N PRO A 88 -29.735 29.938 14.846 1.00 7.70 N ATOM 1342 CA PRO A 88 -30.795 30.285 15.808 1.00 10.44 C ATOM 1343 C PRO A 88 -32.179 29.978 15.231 1.00 9.91 C ATOM 1344 O PRO A 88 -32.446 30.273 14.054 1.00 11.41 O ATOM 1345 CB PRO A 88 -30.548 31.771 16.115 1.00 10.62 C ATOM 1346 CG PRO A 88 -29.804 32.281 14.910 1.00 10.41 C ATOM 1347 CD PRO A 88 -28.887 31.100 14.578 1.00 9.40 C ATOM 1348 HA PRO A 88 -30.769 29.698 16.726 1.00 0.00 H ATOM 1349 HD3 PRO A 88 -28.577 31.126 13.533 1.00 0.00 H ATOM 1350 HD2 PRO A 88 -28.005 31.097 15.218 1.00 0.00 H ATOM 1351 HG3 PRO A 88 -29.228 33.175 15.149 1.00 0.00 H ATOM 1352 HG2 PRO A 88 -30.485 32.498 14.087 1.00 0.00 H ATOM 1353 HB2 PRO A 88 -31.492 32.302 16.240 1.00 0.00 H ATOM 1354 HB3 PRO A 88 -29.947 31.885 17.017 1.00 0.00 H ATOM 1355 N GLY A 89 -32.867 29.127 16.007 1.00 10.00 N ATOM 1356 CA GLY A 89 -34.187 28.635 15.654 1.00 10.18 C ATOM 1357 C GLY A 89 -34.264 27.458 14.655 1.00 12.92 C ATOM 1358 O GLY A 89 -35.213 26.667 14.737 1.00 14.20 O ATOM 1359 HA3 GLY A 89 -34.742 29.468 15.222 1.00 0.00 H ATOM 1360 HA2 GLY A 89 -34.674 28.315 16.575 1.00 0.00 H ATOM 1361 H GLY A 89 -32.437 28.806 16.898 1.00 0.00 H ATOM 1362 N ILE A 90 -33.291 27.254 13.744 1.00 11.06 N ATOM 1363 CA ILE A 90 -33.394 26.204 12.734 1.00 8.16 C ATOM 1364 C ILE A 90 -32.569 24.971 13.011 1.00 6.45 C ATOM 1365 O ILE A 90 -33.055 23.845 12.904 1.00 7.46 O ATOM 1366 CB ILE A 90 -33.021 26.833 11.349 1.00 7.49 C ATOM 1367 CG1 ILE A 90 -34.008 27.928 11.053 1.00 6.98 C ATOM 1368 CG2 ILE A 90 -33.156 25.847 10.187 1.00 7.67 C ATOM 1369 CD1 ILE A 90 -33.526 28.924 10.006 1.00 8.17 C ATOM 1370 HA ILE A 90 -34.421 25.839 12.745 1.00 0.00 H ATOM 1371 HB ILE A 90 -31.986 27.168 11.425 1.00 0.00 H ATOM 1372 HG12 ILE A 90 -34.931 27.472 10.694 1.00 0.00 H ATOM 1373 HG13 ILE A 90 -34.208 28.470 11.977 1.00 0.00 H ATOM 1374 HD11 ILE A 90 -32.609 29.400 10.354 1.00 0.00 H ATOM 1375 HD12 ILE A 90 -33.333 28.400 9.070 1.00 0.00 H ATOM 1376 HD13 ILE A 90 -34.293 29.682 9.848 1.00 0.00 H ATOM 1377 HG21 ILE A 90 -32.494 24.998 10.354 1.00 0.00 H ATOM 1378 HG22 ILE A 90 -34.187 25.499 10.126 1.00 0.00 H ATOM 1379 HG23 ILE A 90 -32.883 26.345 9.256 1.00 0.00 H ATOM 1380 H ILE A 90 -32.446 27.860 13.761 1.00 0.00 H ATOM 1381 N ILE A 91 -31.284 25.137 13.318 1.00 4.73 N ATOM 1382 CA ILE A 91 -30.397 23.987 13.511 1.00 6.29 C ATOM 1383 C ILE A 91 -30.064 24.051 14.989 1.00 3.79 C ATOM 1384 O ILE A 91 -29.709 25.148 15.413 1.00 4.88 O ATOM 1385 CB ILE A 91 -29.079 24.118 12.682 1.00 6.01 C ATOM 1386 CG1 ILE A 91 -29.364 24.359 11.205 1.00 6.44 C ATOM 1387 CG2 ILE A 91 -28.254 22.864 12.848 1.00 4.02 C ATOM 1388 CD1 ILE A 91 -30.147 23.235 10.516 1.00 8.01 C ATOM 1389 HA ILE A 91 -30.865 23.056 13.192 1.00 0.00 H ATOM 1390 HB ILE A 91 -28.527 24.980 13.057 1.00 0.00 H ATOM 1391 HG12 ILE A 91 -29.940 25.280 11.115 1.00 0.00 H ATOM 1392 HG13 ILE A 91 -28.411 24.476 10.689 1.00 0.00 H ATOM 1393 HD11 ILE A 91 -29.581 22.306 10.582 1.00 0.00 H ATOM 1394 HD12 ILE A 91 -31.111 23.110 11.009 1.00 0.00 H ATOM 1395 HD13 ILE A 91 -30.304 23.492 9.468 1.00 0.00 H ATOM 1396 HG21 ILE A 91 -28.010 22.728 13.902 1.00 0.00 H ATOM 1397 HG22 ILE A 91 -28.824 22.006 12.492 1.00 0.00 H ATOM 1398 HG23 ILE A 91 -27.335 22.956 12.269 1.00 0.00 H ATOM 1399 H ILE A 91 -30.904 26.099 13.423 1.00 0.00 H ATOM 1400 N PRO A 92 -30.143 22.973 15.790 1.00 4.17 N ATOM 1401 CA PRO A 92 -29.676 22.915 17.186 1.00 5.55 C ATOM 1402 C PRO A 92 -28.164 23.026 17.309 1.00 4.42 C ATOM 1403 O PRO A 92 -27.449 22.741 16.337 1.00 5.15 O ATOM 1404 CB PRO A 92 -30.177 21.593 17.695 1.00 6.08 C ATOM 1405 CG PRO A 92 -31.170 21.125 16.660 1.00 6.52 C ATOM 1406 CD PRO A 92 -30.595 21.653 15.379 1.00 3.94 C ATOM 1407 HA PRO A 92 -30.053 23.758 17.766 1.00 0.00 H ATOM 1408 HD3 PRO A 92 -29.765 21.038 15.030 1.00 0.00 H ATOM 1409 HD2 PRO A 92 -31.352 21.716 14.598 1.00 0.00 H ATOM 1410 HG3 PRO A 92 -32.159 21.543 16.848 1.00 0.00 H ATOM 1411 HG2 PRO A 92 -31.234 20.037 16.642 1.00 0.00 H ATOM 1412 HB2 PRO A 92 -29.356 20.882 17.787 1.00 0.00 H ATOM 1413 HB3 PRO A 92 -30.662 21.714 18.664 1.00 0.00 H ATOM 1414 N PRO A 93 -27.603 23.330 18.491 1.00 4.82 N ATOM 1415 CA PRO A 93 -26.187 23.096 18.772 1.00 2.73 C ATOM 1416 C PRO A 93 -25.831 21.625 18.522 1.00 4.00 C ATOM 1417 O PRO A 93 -26.633 20.705 18.703 1.00 2.50 O ATOM 1418 CB PRO A 93 -25.973 23.474 20.231 1.00 4.57 C ATOM 1419 CG PRO A 93 -27.227 24.197 20.671 1.00 2.86 C ATOM 1420 CD PRO A 93 -28.324 23.776 19.698 1.00 3.66 C ATOM 1421 HA PRO A 93 -25.545 23.690 18.121 1.00 0.00 H ATOM 1422 HD3 PRO A 93 -28.916 22.962 20.115 1.00 0.00 H ATOM 1423 HD2 PRO A 93 -28.977 24.618 19.467 1.00 0.00 H ATOM 1424 HG3 PRO A 93 -27.077 25.276 20.628 1.00 0.00 H ATOM 1425 HG2 PRO A 93 -27.493 23.909 21.688 1.00 0.00 H ATOM 1426 HB2 PRO A 93 -25.821 22.579 20.835 1.00 0.00 H ATOM 1427 HB3 PRO A 93 -25.106 24.128 20.329 1.00 0.00 H ATOM 1428 N HIS A 94 -24.603 21.465 18.024 1.00 2.02 N ATOM 1429 CA HIS A 94 -23.940 20.179 17.840 1.00 2.29 C ATOM 1430 C HIS A 94 -24.655 19.260 16.866 1.00 3.54 C ATOM 1431 O HIS A 94 -24.505 18.060 17.009 1.00 5.36 O ATOM 1432 CB HIS A 94 -23.776 19.481 19.243 1.00 2.13 C ATOM 1433 CG HIS A 94 -22.948 20.357 20.169 1.00 3.62 C ATOM 1434 ND1 HIS A 94 -21.659 20.635 20.060 1.00 5.90 N ATOM 1435 CD2 HIS A 94 -23.436 21.055 21.254 1.00 6.00 C ATOM 1436 CE1 HIS A 94 -21.361 21.473 21.029 1.00 7.29 C ATOM 1437 NE2 HIS A 94 -22.426 21.724 21.749 1.00 7.42 N ATOM 1438 HA HIS A 94 -22.965 20.377 17.395 1.00 0.00 H ATOM 1439 HB2 HIS A 94 -24.760 19.320 19.683 1.00 0.00 H ATOM 1440 HB3 HIS A 94 -23.276 18.521 19.112 1.00 0.00 H ATOM 1441 HD2 HIS A 94 -24.461 21.050 21.626 1.00 0.00 H ATOM 1442 HE1 HIS A 94 -20.373 21.897 21.207 1.00 0.00 H ATOM 1443 H HIS A 94 -24.080 22.320 17.747 1.00 0.00 H ATOM 1444 N ALA A 95 -25.410 19.774 15.888 1.00 2.02 N ATOM 1445 CA ALA A 95 -26.146 18.942 14.942 1.00 2.07 C ATOM 1446 C ALA A 95 -25.363 18.371 13.738 1.00 2.04 C ATOM 1447 O ALA A 95 -24.641 19.131 13.095 1.00 2.22 O ATOM 1448 CB ALA A 95 -27.290 19.765 14.407 1.00 2.15 C ATOM 1449 HA ALA A 95 -26.443 18.063 15.514 1.00 0.00 H ATOM 1450 HB1 ALA A 95 -27.936 20.067 15.232 1.00 0.00 H ATOM 1451 HB2 ALA A 95 -26.897 20.651 13.909 1.00 0.00 H ATOM 1452 HB3 ALA A 95 -27.862 19.170 13.695 1.00 0.00 H ATOM 1453 H ALA A 95 -25.475 20.808 15.799 1.00 0.00 H ATOM 1454 N THR A 96 -25.450 17.075 13.388 1.00 2.15 N ATOM 1455 CA THR A 96 -24.927 16.543 12.135 1.00 2.05 C ATOM 1456 C THR A 96 -25.977 16.869 11.054 1.00 2.64 C ATOM 1457 O THR A 96 -27.169 16.612 11.223 1.00 2.00 O ATOM 1458 CB THR A 96 -24.741 14.995 12.219 1.00 3.72 C ATOM 1459 OG1 THR A 96 -23.652 14.731 13.119 1.00 4.61 O ATOM 1460 CG2 THR A 96 -24.504 14.374 10.862 1.00 2.33 C ATOM 1461 HA THR A 96 -23.955 16.982 11.911 1.00 0.00 H ATOM 1462 HB THR A 96 -25.657 14.538 12.594 1.00 0.00 H ATOM 1463 HG1 THR A 96 -23.866 15.101 14.012 1.00 0.00 H ATOM 1464 HG23 THR A 96 -25.349 14.596 10.210 1.00 0.00 H ATOM 1465 HG21 THR A 96 -23.592 14.786 10.430 1.00 0.00 H ATOM 1466 HG22 THR A 96 -24.401 13.294 10.971 1.00 0.00 H ATOM 1467 H THR A 96 -25.915 16.417 14.046 1.00 0.00 H ATOM 1468 N LEU A 97 -25.559 17.407 9.910 1.00 2.19 N ATOM 1469 CA LEU A 97 -26.486 17.800 8.870 1.00 2.07 C ATOM 1470 C LEU A 97 -26.378 16.846 7.674 1.00 2.05 C ATOM 1471 O LEU A 97 -25.318 16.283 7.397 1.00 5.34 O ATOM 1472 CB LEU A 97 -26.155 19.249 8.488 1.00 2.00 C ATOM 1473 CG LEU A 97 -26.269 20.287 9.592 1.00 2.82 C ATOM 1474 CD1 LEU A 97 -25.974 21.636 9.000 1.00 2.15 C ATOM 1475 CD2 LEU A 97 -27.670 20.250 10.235 1.00 2.08 C ATOM 1476 HA LEU A 97 -27.518 17.744 9.216 1.00 0.00 H ATOM 1477 HB2 LEU A 97 -25.129 19.268 8.120 1.00 0.00 H ATOM 1478 HB3 LEU A 97 -26.832 19.543 7.686 1.00 0.00 H ATOM 1479 HG LEU A 97 -25.552 20.072 10.384 1.00 0.00 H ATOM 1480 HD21 LEU A 97 -28.423 20.460 9.475 1.00 0.00 H ATOM 1481 HD22 LEU A 97 -27.847 19.262 10.661 1.00 0.00 H ATOM 1482 HD23 LEU A 97 -27.727 21.002 11.022 1.00 0.00 H ATOM 1483 HD11 LEU A 97 -24.965 21.637 8.586 1.00 0.00 H ATOM 1484 HD12 LEU A 97 -26.693 21.849 8.209 1.00 0.00 H ATOM 1485 HD13 LEU A 97 -26.050 22.397 9.777 1.00 0.00 H ATOM 1486 H LEU A 97 -24.540 17.549 9.760 1.00 0.00 H ATOM 1487 N VAL A 98 -27.480 16.603 6.993 1.00 2.00 N ATOM 1488 CA VAL A 98 -27.480 15.701 5.891 1.00 3.65 C ATOM 1489 C VAL A 98 -28.000 16.536 4.744 1.00 2.12 C ATOM 1490 O VAL A 98 -29.080 17.101 4.849 1.00 3.97 O ATOM 1491 CB VAL A 98 -28.400 14.494 6.186 1.00 3.31 C ATOM 1492 CG1 VAL A 98 -28.433 13.643 4.936 1.00 2.09 C ATOM 1493 CG2 VAL A 98 -27.879 13.627 7.350 1.00 2.11 C ATOM 1494 HA VAL A 98 -26.499 15.278 5.676 1.00 0.00 H ATOM 1495 HB VAL A 98 -29.385 14.866 6.470 1.00 0.00 H ATOM 1496 HG11 VAL A 98 -28.825 14.232 4.107 1.00 0.00 H ATOM 1497 HG12 VAL A 98 -27.423 13.308 4.699 1.00 0.00 H ATOM 1498 HG13 VAL A 98 -29.074 12.778 5.104 1.00 0.00 H ATOM 1499 HG21 VAL A 98 -26.890 13.243 7.101 1.00 0.00 H ATOM 1500 HG22 VAL A 98 -27.818 14.233 8.254 1.00 0.00 H ATOM 1501 HG23 VAL A 98 -28.562 12.794 7.515 1.00 0.00 H ATOM 1502 H VAL A 98 -28.364 17.078 7.265 1.00 0.00 H ATOM 1503 N PHE A 99 -27.240 16.718 3.668 1.00 4.42 N ATOM 1504 CA PHE A 99 -27.730 17.488 2.536 1.00 2.41 C ATOM 1505 C PHE A 99 -27.823 16.583 1.301 1.00 2.00 C ATOM 1506 O PHE A 99 -26.935 15.773 1.047 1.00 2.00 O ATOM 1507 CB PHE A 99 -26.788 18.630 2.219 1.00 2.00 C ATOM 1508 CG PHE A 99 -26.904 19.834 3.099 1.00 2.40 C ATOM 1509 CD1 PHE A 99 -26.145 19.919 4.271 1.00 2.00 C ATOM 1510 CD2 PHE A 99 -27.766 20.852 2.738 1.00 2.08 C ATOM 1511 CE1 PHE A 99 -26.272 21.035 5.059 1.00 2.02 C ATOM 1512 CE2 PHE A 99 -27.879 21.965 3.543 1.00 2.30 C ATOM 1513 CZ PHE A 99 -27.135 22.055 4.700 1.00 2.48 C ATOM 1514 HA PHE A 99 -28.711 17.887 2.794 1.00 0.00 H ATOM 1515 HB2 PHE A 99 -25.768 18.254 2.299 1.00 0.00 H ATOM 1516 HB3 PHE A 99 -26.978 18.946 1.193 1.00 0.00 H ATOM 1517 HD2 PHE A 99 -28.353 20.775 1.823 1.00 0.00 H ATOM 1518 HE2 PHE A 99 -28.556 22.773 3.265 1.00 0.00 H ATOM 1519 HZ PHE A 99 -27.227 22.935 5.336 1.00 0.00 H ATOM 1520 HE1 PHE A 99 -25.688 21.119 5.976 1.00 0.00 H ATOM 1521 HD1 PHE A 99 -25.466 19.114 4.553 1.00 0.00 H ATOM 1522 H PHE A 99 -26.286 16.306 3.636 1.00 0.00 H ATOM 1523 N ASP A 100 -28.896 16.699 0.551 1.00 2.07 N ATOM 1524 CA ASP A 100 -29.096 16.013 -0.722 1.00 2.05 C ATOM 1525 C ASP A 100 -28.838 17.181 -1.661 1.00 2.00 C ATOM 1526 O ASP A 100 -29.583 18.151 -1.691 1.00 2.00 O ATOM 1527 CB ASP A 100 -30.523 15.520 -0.857 1.00 2.00 C ATOM 1528 CG ASP A 100 -30.880 14.906 -2.202 1.00 2.09 C ATOM 1529 OD1 ASP A 100 -30.149 15.072 -3.177 1.00 2.00 O ATOM 1530 OD2 ASP A 100 -31.902 14.240 -2.256 1.00 2.00 O ATOM 1531 HA ASP A 100 -28.480 15.128 -0.882 1.00 0.00 H ATOM 1532 HB2 ASP A 100 -30.692 14.766 -0.088 1.00 0.00 H ATOM 1533 HB3 ASP A 100 -31.188 16.366 -0.687 1.00 0.00 H ATOM 1534 H ASP A 100 -29.656 17.324 0.888 1.00 0.00 H ATOM 1535 N VAL A 101 -27.742 17.057 -2.390 1.00 2.00 N ATOM 1536 CA VAL A 101 -27.205 18.120 -3.234 1.00 3.03 C ATOM 1537 C VAL A 101 -26.988 17.618 -4.676 1.00 2.94 C ATOM 1538 O VAL A 101 -26.435 16.532 -4.904 1.00 2.23 O ATOM 1539 CB VAL A 101 -25.867 18.633 -2.587 1.00 2.13 C ATOM 1540 CG1 VAL A 101 -25.214 19.700 -3.450 1.00 2.10 C ATOM 1541 CG2 VAL A 101 -26.156 19.403 -1.336 1.00 3.53 C ATOM 1542 HA VAL A 101 -27.913 18.946 -3.296 1.00 0.00 H ATOM 1543 HB VAL A 101 -25.253 17.744 -2.443 1.00 0.00 H ATOM 1544 HG11 VAL A 101 -24.989 19.284 -4.432 1.00 0.00 H ATOM 1545 HG12 VAL A 101 -25.895 20.544 -3.559 1.00 0.00 H ATOM 1546 HG13 VAL A 101 -24.291 20.034 -2.976 1.00 0.00 H ATOM 1547 HG21 VAL A 101 -26.787 20.259 -1.575 1.00 0.00 H ATOM 1548 HG22 VAL A 101 -26.671 18.758 -0.625 1.00 0.00 H ATOM 1549 HG23 VAL A 101 -25.219 19.751 -0.901 1.00 0.00 H ATOM 1550 H VAL A 101 -27.233 16.150 -2.360 1.00 0.00 H ATOM 1551 N GLU A 102 -27.445 18.386 -5.653 1.00 2.47 N ATOM 1552 CA GLU A 102 -27.274 18.032 -7.034 1.00 3.37 C ATOM 1553 C GLU A 102 -26.493 19.160 -7.644 1.00 2.00 C ATOM 1554 O GLU A 102 -26.943 20.305 -7.541 1.00 2.00 O ATOM 1555 CB GLU A 102 -28.626 17.889 -7.680 1.00 5.33 C ATOM 1556 CG GLU A 102 -28.491 17.719 -9.207 1.00 8.11 C ATOM 1557 CD GLU A 102 -29.687 17.109 -9.939 1.00 12.60 C ATOM 1558 OE1 GLU A 102 -30.832 17.282 -9.533 1.00 8.00 O ATOM 1559 OE2 GLU A 102 -29.437 16.393 -10.909 1.00 14.21 O ATOM 1560 HA GLU A 102 -26.752 17.084 -7.167 1.00 0.00 H ATOM 1561 HB2 GLU A 102 -29.129 17.015 -7.266 1.00 0.00 H ATOM 1562 HB3 GLU A 102 -29.218 18.780 -7.471 1.00 0.00 H ATOM 1563 HG2 GLU A 102 -28.310 18.705 -9.635 1.00 0.00 H ATOM 1564 HG3 GLU A 102 -27.628 17.079 -9.393 1.00 0.00 H ATOM 1565 H GLU A 102 -27.941 19.268 -5.414 1.00 0.00 H ATOM 1566 N LEU A 103 -25.331 18.879 -8.222 1.00 2.00 N ATOM 1567 CA LEU A 103 -24.541 19.937 -8.839 1.00 2.00 C ATOM 1568 C LEU A 103 -24.997 20.061 -10.305 1.00 2.00 C ATOM 1569 O LEU A 103 -24.758 19.212 -11.169 1.00 2.08 O ATOM 1570 CB LEU A 103 -23.042 19.593 -8.726 1.00 2.00 C ATOM 1571 CG LEU A 103 -22.084 20.500 -9.526 1.00 2.00 C ATOM 1572 CD1 LEU A 103 -22.285 21.982 -9.146 1.00 2.42 C ATOM 1573 CD2 LEU A 103 -20.642 20.069 -9.259 1.00 2.00 C ATOM 1574 HA LEU A 103 -24.689 20.894 -8.338 1.00 0.00 H ATOM 1575 HB2 LEU A 103 -22.762 19.655 -7.674 1.00 0.00 H ATOM 1576 HB3 LEU A 103 -22.906 18.570 -9.077 1.00 0.00 H ATOM 1577 HG LEU A 103 -22.302 20.398 -10.589 1.00 0.00 H ATOM 1578 HD21 LEU A 103 -20.428 20.160 -8.194 1.00 0.00 H ATOM 1579 HD22 LEU A 103 -20.510 19.033 -9.570 1.00 0.00 H ATOM 1580 HD23 LEU A 103 -19.963 20.708 -9.823 1.00 0.00 H ATOM 1581 HD11 LEU A 103 -23.312 22.276 -9.365 1.00 0.00 H ATOM 1582 HD12 LEU A 103 -22.087 22.113 -8.082 1.00 0.00 H ATOM 1583 HD13 LEU A 103 -21.598 22.600 -9.724 1.00 0.00 H ATOM 1584 H LEU A 103 -24.983 17.899 -8.234 1.00 0.00 H ATOM 1585 N LEU A 104 -25.678 21.154 -10.567 1.00 2.09 N ATOM 1586 CA LEU A 104 -26.348 21.375 -11.854 1.00 2.00 C ATOM 1587 C LEU A 104 -25.467 21.970 -12.953 1.00 2.09 C ATOM 1588 O LEU A 104 -25.493 21.569 -14.141 1.00 2.00 O ATOM 1589 CB LEU A 104 -27.588 22.313 -11.668 1.00 2.00 C ATOM 1590 CG LEU A 104 -28.715 21.911 -10.685 1.00 2.23 C ATOM 1591 CD1 LEU A 104 -29.800 22.986 -10.546 1.00 2.62 C ATOM 1592 CD2 LEU A 104 -29.343 20.646 -11.217 1.00 2.00 C ATOM 1593 HA LEU A 104 -26.635 20.377 -12.184 1.00 0.00 H ATOM 1594 HB2 LEU A 104 -27.207 23.278 -11.334 1.00 0.00 H ATOM 1595 HB3 LEU A 104 -28.049 22.425 -12.649 1.00 0.00 H ATOM 1596 HG LEU A 104 -28.278 21.776 -9.696 1.00 0.00 H ATOM 1597 HD21 LEU A 104 -29.750 20.834 -12.211 1.00 0.00 H ATOM 1598 HD22 LEU A 104 -28.587 19.863 -11.275 1.00 0.00 H ATOM 1599 HD23 LEU A 104 -30.144 20.331 -10.549 1.00 0.00 H ATOM 1600 HD11 LEU A 104 -29.351 23.908 -10.177 1.00 0.00 H ATOM 1601 HD12 LEU A 104 -30.257 23.167 -11.519 1.00 0.00 H ATOM 1602 HD13 LEU A 104 -30.560 22.644 -9.844 1.00 0.00 H ATOM 1603 H LEU A 104 -25.745 21.890 -9.835 1.00 0.00 H ATOM 1604 N LYS A 105 -24.687 22.963 -12.530 1.00 2.35 N ATOM 1605 CA LYS A 105 -24.006 23.807 -13.498 1.00 3.56 C ATOM 1606 C LYS A 105 -22.862 24.540 -12.806 1.00 4.04 C ATOM 1607 O LYS A 105 -22.989 24.760 -11.592 1.00 2.11 O ATOM 1608 CB LYS A 105 -25.022 24.781 -13.983 1.00 4.70 C ATOM 1609 CG LYS A 105 -24.636 25.550 -15.184 1.00 8.71 C ATOM 1610 CD LYS A 105 -25.849 26.349 -15.561 1.00 8.68 C ATOM 1611 CE LYS A 105 -25.350 27.316 -16.606 1.00 10.78 C ATOM 1612 NZ LYS A 105 -26.400 28.289 -16.837 1.00 11.71 N ATOM 1613 HA LYS A 105 -23.589 23.230 -14.324 1.00 0.00 H ATOM 1614 HB2 LYS A 105 -25.934 24.230 -14.214 1.00 0.00 H ATOM 1615 HB3 LYS A 105 -25.221 25.489 -13.179 1.00 0.00 H ATOM 1616 HG2 LYS A 105 -23.799 26.212 -14.960 1.00 0.00 H ATOM 1617 HG3 LYS A 105 -24.357 24.876 -15.994 1.00 0.00 H ATOM 1618 HD2 LYS A 105 -26.625 25.703 -15.972 1.00 0.00 H ATOM 1619 HD3 LYS A 105 -26.243 26.884 -14.697 1.00 0.00 H ATOM 1620 HE2 LYS A 105 -25.126 26.783 -17.530 1.00 0.00 H ATOM 1621 HE3 LYS A 105 -24.450 27.817 -16.250 1.00 0.00 H ATOM 1622 HZ1 LYS A 105 -27.255 27.801 -17.172 1.00 0.00 H ATOM 1623 HZ2 LYS A 105 -26.609 28.789 -15.949 1.00 0.00 H ATOM 1624 HZ3 LYS A 105 -26.086 28.972 -17.555 1.00 0.00 H ATOM 1625 H LYS A 105 -24.566 23.134 -11.511 1.00 0.00 H ATOM 1626 N LEU A 106 -21.808 24.924 -13.555 1.00 2.84 N ATOM 1627 CA LEU A 106 -20.759 25.798 -13.043 1.00 2.86 C ATOM 1628 C LEU A 106 -20.780 27.006 -13.939 1.00 3.93 C ATOM 1629 O LEU A 106 -20.894 26.912 -15.179 1.00 4.70 O ATOM 1630 CB LEU A 106 -19.342 25.182 -13.102 1.00 2.24 C ATOM 1631 CG LEU A 106 -19.105 23.920 -12.241 1.00 2.13 C ATOM 1632 CD1 LEU A 106 -17.704 23.443 -12.474 1.00 2.04 C ATOM 1633 CD2 LEU A 106 -19.278 24.208 -10.753 1.00 4.67 C ATOM 1634 HA LEU A 106 -20.955 26.006 -11.991 1.00 0.00 H ATOM 1635 HB2 LEU A 106 -19.137 24.919 -14.140 1.00 0.00 H ATOM 1636 HB3 LEU A 106 -18.635 25.944 -12.775 1.00 0.00 H ATOM 1637 HG LEU A 106 -19.838 23.167 -12.529 1.00 0.00 H ATOM 1638 HD21 LEU A 106 -18.563 24.971 -10.446 1.00 0.00 H ATOM 1639 HD22 LEU A 106 -20.292 24.563 -10.568 1.00 0.00 H ATOM 1640 HD23 LEU A 106 -19.103 23.295 -10.185 1.00 0.00 H ATOM 1641 HD11 LEU A 106 -17.574 23.204 -13.530 1.00 0.00 H ATOM 1642 HD12 LEU A 106 -17.002 24.227 -12.188 1.00 0.00 H ATOM 1643 HD13 LEU A 106 -17.520 22.552 -11.873 1.00 0.00 H ATOM 1644 H LEU A 106 -21.741 24.584 -14.535 1.00 0.00 H ATOM 1645 N GLU A 107 -20.751 28.143 -13.287 1.00 6.38 N ATOM 1646 CA GLU A 107 -20.769 29.428 -13.969 1.00 9.00 C ATOM 1647 C GLU A 107 -19.565 30.266 -13.531 1.00 10.52 C ATOM 1648 O GLU A 107 -18.783 29.796 -12.685 1.00 10.53 O ATOM 1649 CB GLU A 107 -22.037 30.180 -13.619 1.00 7.90 C ATOM 1650 CG GLU A 107 -23.301 29.483 -14.035 1.00 9.88 C ATOM 1651 CD GLU A 107 -24.548 30.301 -13.751 1.00 12.12 C ATOM 1652 OE1 GLU A 107 -24.590 31.067 -12.776 1.00 13.02 O ATOM 1653 OE2 GLU A 107 -25.506 30.152 -14.508 1.00 12.10 O ATOM 1654 HA GLU A 107 -20.728 29.253 -15.044 1.00 0.00 H ATOM 1655 OXT GLU A 107 -19.461 31.405 -13.993 1.00 11.27 O ATOM 1656 HB2 GLU A 107 -22.064 30.321 -12.539 1.00 0.00 H ATOM 1657 HB3 GLU A 107 -22.005 31.152 -14.111 1.00 0.00 H ATOM 1658 HG2 GLU A 107 -23.252 29.283 -15.105 1.00 0.00 H ATOM 1659 HG3 GLU A 107 -23.373 28.540 -13.493 1.00 0.00 H ATOM 1660 H GLU A 107 -20.714 28.126 -12.248 1.00 0.00 H TER 1661 GLU A 107 HETATM 1662 O HOH 1 -28.978 13.681 -10.915 1.00 46.81 O HETATM 1663 O HOH 2 -19.903 25.991 26.282 1.00 50.13 O HETATM 1664 O HOH 3 -16.834 10.566 1.360 1.00 33.32 O HETATM 1665 O HOH 4 -20.117 5.452 1.227 1.00 46.62 O HETATM 1666 O HOH 5 -18.367 7.211 0.520 1.00 30.60 O HETATM 1667 O HOH 6 -26.917 12.095 -12.707 1.00 50.89 O HETATM 1668 O HOH 7 -24.177 5.218 -3.723 1.00 45.56 O HETATM 1669 O HOH 8 -12.227 15.967 -19.001 1.00 43.12 O HETATM 1670 O HOH 9 -23.729 4.985 -7.406 1.00 24.53 O HETATM 1671 O HOH 10 -13.431 9.511 -15.812 1.00 40.11 O HETATM 1672 O HOH 11 -21.947 9.270 -16.182 1.00 46.60 O HETATM 1673 O HOH 12 -17.279 12.356 -19.163 1.00 57.20 O HETATM 1674 O HOH 13 -33.688 9.894 6.206 1.00 37.70 O HETATM 1675 O HOH 14 -20.731 13.059 -19.592 1.00 41.14 O HETATM 1676 O HOH 15 -10.478 14.771 -20.623 1.00 53.66 O HETATM 1677 O HOH 16 -11.561 24.699 -14.167 1.00 50.28 O HETATM 1678 O HOH 17 -10.849 16.821 -14.534 1.00 42.60 O HETATM 1679 O HOH 18 -12.414 19.543 -13.971 1.00 41.71 O HETATM 1680 O HOH 19 -18.745 26.568 -16.996 1.00 41.56 O HETATM 1681 O HOH 20 -12.198 28.512 -13.177 1.00 52.77 O HETATM 1682 O HOH 21 -11.108 12.960 -13.547 1.00 42.86 O HETATM 1683 O HOH 22 -16.772 32.794 -13.013 1.00 40.85 O HETATM 1684 O HOH 23 -18.948 9.529 -16.102 1.00 47.92 O HETATM 1685 O HOH 24 -13.880 23.415 -13.581 1.00 38.72 O HETATM 1686 O HOH 25 -12.454 20.248 -7.272 1.00 37.03 O HETATM 1687 O HOH 26 -15.293 24.425 -15.688 1.00 39.64 O HETATM 1688 O HOH 27 -23.274 33.289 -11.557 1.00 34.66 O HETATM 1689 O HOH 28 -14.265 31.598 -12.558 1.00 32.85 O HETATM 1690 O HOH 29 -17.847 29.936 -0.303 1.00 18.95 O HETATM 1691 O HOH 30 -17.971 32.952 -10.556 1.00 38.38 O HETATM 1692 O HOH 31 -29.696 6.431 -5.917 1.00 34.05 O HETATM 1693 O HOH 32 -32.102 14.420 -10.055 1.00 32.64 O HETATM 1694 O HOH 33 -24.234 1.926 -7.874 1.00 36.65 O HETATM 1695 O HOH 34 -36.952 15.100 2.711 1.00 46.60 O HETATM 1696 O HOH 35 -39.821 29.652 -8.250 1.00 51.76 O HETATM 1697 O HOH 36 -11.439 9.551 -21.923 1.00 40.76 O HETATM 1698 O HOH 37 -31.171 26.874 17.179 1.00 26.41 O HETATM 1699 O HOH 38 -25.010 22.994 15.092 1.00 12.29 O HETATM 1700 O HOH 39 -29.104 28.186 18.650 1.00 30.23 O HETATM 1701 O HOH 40 -13.985 14.768 2.347 1.00 33.96 O HETATM 1702 O HOH 41 -25.654 20.024 22.567 1.00 25.21 O HETATM 1703 O HOH 42 -24.161 27.939 22.242 1.00 35.49 O HETATM 1704 O HOH 43 -20.119 24.641 23.824 1.00 29.43 O HETATM 1705 O HOH 44 -35.235 23.641 -11.108 1.00 37.83 O HETATM 1706 O HOH 45 -24.435 22.090 12.526 1.00 11.84 O HETATM 1707 O HOH 46 -30.334 17.628 15.522 1.00 33.23 O HETATM 1708 O HOH 47 -31.575 11.482 4.792 1.00 38.37 O HETATM 1709 O HOH 48 -33.554 9.120 9.546 1.00 13.32 O HETATM 1710 O HOH 49 -27.250 9.592 9.037 1.00 37.76 O HETATM 1711 O HOH 50 -31.037 12.077 7.450 1.00 38.90 O HETATM 1712 O HOH 51 -26.614 7.523 -0.427 1.00 45.34 O HETATM 1713 O HOH 52 -26.011 9.558 6.615 1.00 31.44 O HETATM 1714 O HOH 53 -23.874 6.191 2.649 1.00 43.01 O HETATM 1715 O HOH 54 -26.933 6.270 3.604 1.00 52.24 O HETATM 1716 O HOH 55 -39.714 18.402 -0.851 1.00 54.16 O HETATM 1717 O HOH 56 -21.598 34.221 -7.426 1.00 38.60 O HETATM 1718 O HOH 57 -31.019 30.311 -9.761 1.00 35.35 O HETATM 1719 O HOH 58 -35.607 15.771 -7.228 1.00 53.74 O HETATM 1720 O HOH 59 -41.423 24.651 -6.645 1.00 30.03 O HETATM 1721 O HOH 60 -32.158 18.189 -7.757 1.00 39.52 O HETATM 1722 O HOH 61 -14.811 22.103 -18.217 1.00 41.54 O HETATM 1723 O HOH 62 -22.017 26.144 -17.720 1.00 46.76 O HETATM 1724 O HOH 63 -25.845 27.220 -20.152 1.00 37.94 O HETATM 1725 O HOH 64 -19.028 23.282 -17.575 1.00 31.82 O HETATM 1726 O HOH 65 -6.561 24.435 1.758 1.00 36.57 O HETATM 1727 O HOH 66 -12.712 18.368 -1.082 1.00 34.38 O HETATM 1728 O HOH 67 -13.420 22.003 10.441 1.00 42.64 O HETATM 1729 O HOH 68 -6.218 26.351 4.458 1.00 39.62 O HETATM 1730 O HOH 69 -7.715 23.830 4.559 1.00 47.15 O HETATM 1731 O HOH 70 -18.931 21.734 17.492 1.00 42.29 O HETATM 1732 O HOH 71 -26.255 34.049 -0.573 1.00 52.40 O HETATM 1733 O HOH 72 -22.223 33.940 -4.818 1.00 30.28 O HETATM 1734 O HOH 73 -24.158 32.501 0.781 1.00 40.27 O HETATM 1735 O HOH 74 -23.362 35.727 -1.782 1.00 32.68 O HETATM 1736 O HOH 75 -24.492 32.277 -1.897 1.00 31.69 O HETATM 1737 O HOH 76 -23.477 15.348 15.785 1.00 38.27 O HETATM 1738 O HOH 77 -30.613 18.795 19.759 1.00 48.52 O HETATM 1739 O HOH 78 -29.140 16.371 13.057 1.00 28.05 O HETATM 1740 O HOH 79 -36.982 23.203 10.870 1.00 52.46 O HETATM 1741 O HOH 80 -37.053 25.474 8.619 1.00 45.06 O HETATM 1742 O HOH 81 -11.492 23.330 3.198 1.00 54.49 O HETATM 1743 O HOH 82 -16.663 28.374 5.487 1.00 44.61 O HETATM 1744 O HOH 83 -18.410 25.719 8.963 1.00 32.70 O HETATM 1745 O HOH 84 -19.315 18.285 18.401 1.00 46.16 O HETATM 1746 O HOH 85 -34.985 26.903 6.945 1.00 39.88 O HETATM 1747 O HOH 86 -36.551 30.126 13.731 1.00 51.15 O HETATM 1748 O HOH 87 -33.604 24.274 17.235 1.00 46.95 O HETATM 1749 C1 SB A 3 -24.969 27.348 4.271 1.00 0.26 C HETATM 1750 C2 SB A 3 -25.748 26.054 3.961 1.00 0.15 C HETATM 1751 N7 SB A 3 -27.202 26.128 3.884 1.00 -0.24 N HETATM 1752 C6 SB A 3 -27.657 26.983 2.743 1.00 0.04 C HETATM 1753 C5 SB A 3 -27.297 26.370 1.388 1.00 -0.03 C HETATM 1754 C4 SB A 3 -25.789 26.216 1.383 1.00 -0.05 C HETATM 1755 C3 SB A 3 -25.387 25.423 2.620 1.00 -0.01 C HETATM 1756 H2 SB A 3 -25.880 24.441 2.566 1.00 0.03 H HETATM 1757 H3 SB A 3 -24.296 25.288 2.594 1.00 0.03 H HETATM 1758 H4 SB A 3 -25.473 25.678 0.477 1.00 0.03 H HETATM 1759 H5 SB A 3 -25.314 27.208 1.406 1.00 0.03 H HETATM 1760 H6 SB A 3 -27.781 25.389 1.272 1.00 0.03 H HETATM 1761 H7 SB A 3 -27.616 27.035 0.572 1.00 0.03 H HETATM 1762 H8 SB A 3 -28.749 27.100 2.801 1.00 0.05 H HETATM 1763 H9 SB A 3 -27.177 27.970 2.825 1.00 0.05 H HETATM 1764 C8 SB A 3 -27.948 25.896 4.987 1.00 0.27 C HETATM 1765 C9 SB A 3 -29.478 26.097 5.056 1.00 0.24 C HETATM 1766 C10 SB A 3 -30.113 27.193 5.925 1.00 0.04 C HETATM 1767 C14 SB A 3 -31.654 27.208 5.816 1.00 -0.05 C HETATM 1768 H18 SB A 3 -32.052 26.228 6.116 1.00 0.02 H HETATM 1769 H19 SB A 3 -31.946 27.420 4.777 1.00 0.02 H HETATM 1770 H20 SB A 3 -32.061 27.987 6.477 1.00 0.02 H HETATM 1771 C13 SB A 3 -29.751 27.054 7.448 1.00 -0.05 C HETATM 1772 H15 SB A 3 -30.087 26.073 7.817 1.00 0.02 H HETATM 1773 H16 SB A 3 -30.251 27.851 8.018 1.00 0.02 H HETATM 1774 H17 SB A 3 -28.662 27.140 7.575 1.00 0.02 H HETATM 1775 C11 SB A 3 -29.618 28.564 5.501 1.00 -0.05 C HETATM 1776 C12 SB A 3 -30.112 29.007 4.107 1.00 -0.07 C HETATM 1777 H12 SB A 3 -29.711 30.005 3.876 1.00 0.02 H HETATM 1778 H13 SB A 3 -31.211 29.043 4.102 1.00 0.02 H HETATM 1779 H14 SB A 3 -29.765 28.288 3.350 1.00 0.02 H HETATM 1780 H10 SB A 3 -28.518 28.546 5.489 1.00 0.03 H HETATM 1781 H11 SB A 3 -29.964 29.301 6.241 1.00 0.03 H HETATM 1782 O4 SB A 3 -30.203 25.286 4.468 1.00 -0.29 O HETATM 1783 O3 SB A 3 -27.389 25.426 5.980 1.00 -0.36 O HETATM 1784 H1 SB A 3 -25.488 25.350 4.765 1.00 0.08 H HETATM 1785 O2 SB A 3 -23.806 27.477 3.993 1.00 -0.37 O HETATM 1786 O1 SB A 3 -25.677 28.336 4.779 1.00 -0.26 O HETATM 1787 C15 SB A 3 -25.134 29.656 4.960 1.00 0.12 C HETATM 1788 C24 SB A 3 -26.281 30.654 4.678 1.00 -0.01 C HETATM 1789 C29 SB A 3 -27.075 31.138 5.643 1.00 -0.06 C HETATM 1790 C28 SB A 3 -28.005 32.038 5.348 1.00 -0.07 C HETATM 1791 C27 SB A 3 -28.156 32.459 4.098 1.00 -0.07 C HETATM 1792 C26 SB A 3 -27.379 31.984 3.136 1.00 -0.07 C HETATM 1793 C25 SB A 3 -26.453 31.088 3.427 1.00 -0.06 C HETATM 1794 H31 SB A 3 -25.822 30.698 2.636 1.00 0.06 H HETATM 1795 H32 SB A 3 -27.502 32.329 2.116 1.00 0.06 H HETATM 1796 H33 SB A 3 -28.918 33.194 3.864 1.00 0.06 H HETATM 1797 H34 SB A 3 -28.644 32.431 6.131 1.00 0.06 H HETATM 1798 H35 SB A 3 -26.958 30.794 6.664 1.00 0.06 H HETATM 1799 C16 SB A 3 -24.594 29.724 6.392 1.00 -0.00 C HETATM 1800 C17 SB A 3 -23.713 30.914 6.767 1.00 -0.01 C HETATM 1801 C18 SB A 3 -22.524 30.557 7.639 1.00 -0.04 C HETATM 1802 C23 SB A 3 -21.466 29.972 7.102 1.00 -0.06 C HETATM 1803 C22 SB A 3 -20.531 29.419 7.866 1.00 -0.07 C HETATM 1804 C21 SB A 3 -20.652 29.465 9.179 1.00 -0.07 C HETATM 1805 C20 SB A 3 -21.702 30.069 9.721 1.00 -0.07 C HETATM 1806 C19 SB A 3 -22.626 30.613 8.956 1.00 -0.06 C HETATM 1807 H26 SB A 3 -23.476 31.110 9.409 1.00 0.06 H HETATM 1808 H27 SB A 3 -21.800 30.115 10.800 1.00 0.06 H HETATM 1809 H28 SB A 3 -19.898 29.012 9.812 1.00 0.06 H HETATM 1810 H29 SB A 3 -19.674 28.933 7.414 1.00 0.06 H HETATM 1811 H30 SB A 3 -21.361 29.944 6.024 1.00 0.06 H HETATM 1812 H24 SB A 3 -24.332 31.644 7.309 1.00 0.04 H HETATM 1813 H25 SB A 3 -23.336 31.370 5.840 1.00 0.04 H HETATM 1814 H22 SB A 3 -24.003 28.812 6.563 1.00 0.03 H HETATM 1815 H23 SB A 3 -25.461 29.732 7.069 1.00 0.03 H HETATM 1816 H21 SB A 3 -24.311 29.838 4.253 1.00 0.08 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1749 1750 1785 1786 CONECT 1750 1749 1751 1755 1784 CONECT 1751 1750 1752 1764 CONECT 1752 1751 1753 1762 1763 CONECT 1753 1752 1754 1760 1761 CONECT 1754 1753 1755 1758 1759 CONECT 1755 1750 1754 1756 1757 CONECT 1756 1755 CONECT 1757 1755 CONECT 1758 1754 CONECT 1759 1754 CONECT 1760 1753 CONECT 1761 1753 CONECT 1762 1752 CONECT 1763 1752 CONECT 1764 1751 1765 1783 CONECT 1765 1764 1766 1782 CONECT 1766 1765 1767 1771 1775 CONECT 1767 1766 1768 1769 1770 CONECT 1768 1767 CONECT 1769 1767 CONECT 1770 1767 CONECT 1771 1766 1772 1773 1774 CONECT 1772 1771 CONECT 1773 1771 CONECT 1774 1771 CONECT 1775 1766 1776 1780 1781 CONECT 1776 1775 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1775 CONECT 1781 1775 CONECT 1782 1765 CONECT 1783 1764 CONECT 1784 1750 CONECT 1785 1749 CONECT 1786 1749 1787 CONECT 1787 1786 1788 1799 1816 CONECT 1788 1787 1789 1793 CONECT 1789 1788 1790 1798 CONECT 1790 1789 1791 1797 CONECT 1791 1790 1792 1796 CONECT 1792 1791 1793 1795 CONECT 1793 1788 1792 1794 CONECT 1794 1793 CONECT 1795 1792 CONECT 1796 1791 CONECT 1797 1790 CONECT 1798 1789 CONECT 1799 1787 1800 1814 1815 CONECT 1800 1799 1801 1812 1813 CONECT 1801 1800 1802 1806 CONECT 1802 1801 1803 1811 CONECT 1803 1802 1804 1810 CONECT 1804 1803 1805 1809 CONECT 1805 1804 1806 1808 CONECT 1806 1801 1805 1807 CONECT 1807 1806 CONECT 1808 1805 CONECT 1809 1804 CONECT 1810 1803 CONECT 1811 1802 CONECT 1812 1800 CONECT 1813 1800 CONECT 1814 1799 CONECT 1815 1799 CONECT 1816 1787 MASTER 0 0 0 0 0 0 0 0 1815 1 72 9 END
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Structure:
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Related entries of code: 1fkg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
107aa, >1A7X_1|Chains... *
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PDBbind
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PDBbind
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1d7i
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PDBbind
107aa, >1D7I_1|Chains... at 100%
1d7j
RCSB PDB
PDBbind
107aa, >1D7J_1|Chains... at 100%
1f40
RCSB PDB
PDBbind
107aa, >1F40_1|Chain... at 100%
1fkb
RCSB PDB
PDBbind
107aa, >1FKB_1|Chain... at 100%
1fkf
RCSB PDB
PDBbind
107aa, >1FKF_1|Chain... at 100%
1fkh
RCSB PDB
PDBbind
107aa, >1FKH_1|Chain... at 100%
1fki
RCSB PDB
PDBbind
107aa, >1FKI_1|Chains... at 100%
1j4r
RCSB PDB
PDBbind
107aa, >1J4R_1|Chains... at 100%
1qpf
RCSB PDB
PDBbind
107aa, >1QPF_1|Chains... at 100%
1qpl
RCSB PDB
PDBbind
107aa, >1QPL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1fkg
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
FK506 binding protein
Ligand Name
SB3
EC.Number
E.C.5.2.1.8
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=10nM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc.v115;pp.9925-9938
Ligand Properties
Formula
C
2
8
H
3
5
NO
4
Molecular Weight
449.582
Exact Mass
449.257
No. of atoms
68
No. of bonds
70
Polar Surface Area
63.68
LOGP Value
6.01 (
Computed with XLOGP3
)
5.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CCC(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1ccccc1)CCc1ccccc1)(C)C
InChI String
InChI=1S/C28H35NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3/t23-,24+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P62942
Entrez Gene ID
NCBI Entrez Gene ID:
2280
ASD
Information of known allosteric effects of PDB entries
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