Browse entries in the PDBbind-CN Database
HEADER 3S0E_COMPLEX COMPND 3S0E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 MET THR ILE GLU GLU LEU LYS THR ARG LEU HIS THR GLU SEQRES 2 A 119 GLN SER VAL CYS LYS THR GLU THR GLY ILE ASP GLN GLN SEQRES 3 A 119 LYS ALA ASN ASP VAL ILE GLU GLY ASN ILE ASP VAL GLU SEQRES 4 A 119 ASP LYS LYS VAL GLN LEU TYR CYS GLU CYS ILE LEU LYS SEQRES 5 A 119 ASN PHE ASN ILE LEU ASP LYS ASN ASN VAL PHE LYS PRO SEQRES 6 A 119 GLN GLY ILE LYS ALA VAL MET GLU LEU LEU ILE ASP GLU SEQRES 7 A 119 ASN SER VAL LYS GLN LEU VAL SER ASP CYS SER THR ILE SEQRES 8 A 119 SER GLU GLU ASN PRO HIS LEU LYS ALA SER LYS LEU VAL SEQRES 9 A 119 GLN CYS VAL SER LYS TYR LYS THR MET LYS SER VAL ASP SEQRES 10 A 119 PHE LEU HET EOL A 259 24 SSBOND 1 CYS A 17 CYS A 49 SSBOND 2 CYS A 88 CYS A 106 ATOM 1 N MET A 1 3.756 3.534 -14.028 1.00 42.17 N ATOM 2 CA MET A 1 2.506 2.818 -13.794 1.00 41.29 C ATOM 3 C MET A 1 2.074 2.981 -12.341 1.00 44.04 C ATOM 4 O MET A 1 2.878 2.771 -11.435 1.00 44.16 O ATOM 5 CB MET A 1 2.662 1.328 -14.175 1.00 43.43 C ATOM 6 CG MET A 1 1.447 0.456 -13.842 1.00 46.57 C ATOM 7 SD MET A 1 1.394 -1.185 -14.614 1.00 50.27 S ATOM 8 CE MET A 1 3.042 -1.801 -14.257 1.00 47.08 C ATOM 9 HA MET A 1 1.726 3.242 -14.426 1.00 0.00 H ATOM 10 HB2 MET A 1 2.841 1.268 -15.249 1.00 0.00 H ATOM 11 HB3 MET A 1 3.525 0.928 -13.642 1.00 0.00 H ATOM 12 HG2 MET A 1 0.554 0.998 -14.154 1.00 0.00 H ATOM 13 HG3 MET A 1 1.426 0.315 -12.761 1.00 0.00 H ATOM 14 HE1 MET A 1 3.782 -1.137 -14.705 1.00 0.00 H ATOM 15 HE2 MET A 1 3.189 -1.836 -13.178 1.00 0.00 H ATOM 16 HE3 MET A 1 3.152 -2.802 -14.673 1.00 0.00 H ATOM 17 HN3 MET A 1 4.496 3.150 -13.406 1.00 0.00 H ATOM 18 HN2 MET A 1 3.619 4.544 -13.823 1.00 0.00 H ATOM 19 HN1 MET A 1 4.041 3.416 -15.021 1.00 0.00 H ATOM 20 N THR A 2 0.814 3.366 -12.117 1.00 39.85 N ATOM 21 CA THR A 2 0.301 3.506 -10.757 1.00 39.25 C ATOM 22 C THR A 2 -0.180 2.136 -10.282 1.00 41.14 C ATOM 23 O THR A 2 -0.237 1.190 -11.077 1.00 39.63 O ATOM 24 CB THR A 2 -0.816 4.563 -10.666 1.00 48.12 C ATOM 25 OG1 THR A 2 -1.968 4.114 -11.375 1.00 47.76 O ATOM 26 CG2 THR A 2 -0.379 5.946 -11.142 1.00 47.89 C ATOM 27 HA THR A 2 1.100 3.861 -10.106 1.00 0.00 H ATOM 28 HB THR A 2 -1.063 4.679 -9.611 1.00 0.00 H ATOM 29 HG1 THR A 2 -2.681 4.798 -11.312 1.00 0.00 H ATOM 30 HG23 THR A 2 0.502 6.260 -10.582 1.00 0.00 H ATOM 31 HG21 THR A 2 -0.140 5.904 -12.205 1.00 0.00 H ATOM 32 HG22 THR A 2 -1.188 6.658 -10.978 1.00 0.00 H ATOM 33 H THR A 2 0.189 3.569 -12.923 1.00 0.00 H ATOM 34 N ILE A 3 -0.533 2.036 -8.991 1.00 36.62 N ATOM 35 CA ILE A 3 -1.079 0.822 -8.386 1.00 35.33 C ATOM 36 C ILE A 3 -2.429 0.529 -9.018 1.00 36.97 C ATOM 37 O ILE A 3 -2.683 -0.609 -9.417 1.00 35.80 O ATOM 38 CB ILE A 3 -1.182 0.980 -6.839 1.00 38.37 C ATOM 39 CG1 ILE A 3 0.216 1.019 -6.180 1.00 38.72 C ATOM 40 CG2 ILE A 3 -2.094 -0.086 -6.197 1.00 38.55 C ATOM 41 CD1 ILE A 3 1.169 -0.136 -6.536 1.00 45.23 C ATOM 42 HA ILE A 3 -0.415 -0.022 -8.572 1.00 0.00 H ATOM 43 HB ILE A 3 -1.658 1.942 -6.650 1.00 0.00 H ATOM 44 HG12 ILE A 3 0.698 1.951 -6.476 1.00 0.00 H ATOM 45 HG13 ILE A 3 0.075 1.012 -5.099 1.00 0.00 H ATOM 46 HD11 ILE A 3 0.720 -1.082 -6.234 1.00 0.00 H ATOM 47 HD12 ILE A 3 1.344 -0.143 -7.612 1.00 0.00 H ATOM 48 HD13 ILE A 3 2.116 0.002 -6.014 1.00 0.00 H ATOM 49 HG21 ILE A 3 -3.098 -0.001 -6.612 1.00 0.00 H ATOM 50 HG22 ILE A 3 -1.695 -1.078 -6.408 1.00 0.00 H ATOM 51 HG23 ILE A 3 -2.130 0.070 -5.119 1.00 0.00 H ATOM 52 H ILE A 3 -0.411 2.872 -8.385 1.00 0.00 H ATOM 53 N GLU A 4 -3.278 1.577 -9.136 1.00 32.66 N ATOM 54 CA GLU A 4 -4.607 1.467 -9.727 1.00 31.76 C ATOM 55 C GLU A 4 -4.518 1.018 -11.186 1.00 31.94 C ATOM 56 O GLU A 4 -5.334 0.209 -11.620 1.00 31.80 O ATOM 57 CB GLU A 4 -5.389 2.781 -9.581 1.00 33.40 C ATOM 58 CG GLU A 4 -5.867 3.052 -8.157 1.00 44.56 C ATOM 59 CD GLU A 4 -6.822 2.049 -7.531 1.00 65.10 C ATOM 60 OE1 GLU A 4 -7.703 1.523 -8.250 1.00 54.43 O ATOM 61 OE2 GLU A 4 -6.706 1.812 -6.307 1.00 62.72 O ATOM 62 HA GLU A 4 -5.160 0.702 -9.182 1.00 0.00 H ATOM 63 HB2 GLU A 4 -4.743 3.603 -9.890 1.00 0.00 H ATOM 64 HB3 GLU A 4 -6.260 2.739 -10.235 1.00 0.00 H ATOM 65 HG2 GLU A 4 -4.984 3.102 -7.520 1.00 0.00 H ATOM 66 HG3 GLU A 4 -6.367 4.021 -8.160 1.00 0.00 H ATOM 67 H GLU A 4 -2.967 2.506 -8.788 1.00 0.00 H ATOM 68 N GLU A 5 -3.488 1.489 -11.915 1.00 26.86 N ATOM 69 CA GLU A 5 -3.244 1.103 -13.308 1.00 25.78 C ATOM 70 C GLU A 5 -2.764 -0.335 -13.379 1.00 26.54 C ATOM 71 O GLU A 5 -3.189 -1.065 -14.274 1.00 24.75 O ATOM 72 CB GLU A 5 -2.262 2.055 -13.988 1.00 27.64 C ATOM 73 CG GLU A 5 -2.972 3.296 -14.504 1.00 37.93 C ATOM 74 CD GLU A 5 -2.134 4.529 -14.770 1.00 57.32 C ATOM 75 OE1 GLU A 5 -0.886 4.420 -14.796 1.00 44.20 O ATOM 76 OE2 GLU A 5 -2.735 5.609 -14.970 1.00 52.79 O ATOM 77 HA GLU A 5 -4.186 1.175 -13.852 1.00 0.00 H ATOM 78 HB2 GLU A 5 -1.499 2.354 -13.269 1.00 0.00 H ATOM 79 HB3 GLU A 5 -1.789 1.541 -14.825 1.00 0.00 H ATOM 80 HG2 GLU A 5 -3.460 3.026 -15.440 1.00 0.00 H ATOM 81 HG3 GLU A 5 -3.728 3.569 -13.767 1.00 0.00 H ATOM 82 H GLU A 5 -2.833 2.161 -11.467 1.00 0.00 H ATOM 83 N LEU A 6 -1.918 -0.755 -12.419 1.00 21.73 N ATOM 84 CA LEU A 6 -1.437 -2.142 -12.362 1.00 20.21 C ATOM 85 C LEU A 6 -2.600 -3.089 -12.047 1.00 21.69 C ATOM 86 O LEU A 6 -2.688 -4.155 -12.662 1.00 18.98 O ATOM 87 CB LEU A 6 -0.290 -2.312 -11.346 1.00 20.00 C ATOM 88 CG LEU A 6 0.246 -3.750 -11.135 1.00 23.07 C ATOM 89 CD1 LEU A 6 0.780 -4.368 -12.428 1.00 22.49 C ATOM 90 CD2 LEU A 6 1.290 -3.790 -10.042 1.00 24.04 C ATOM 91 HA LEU A 6 -1.031 -2.398 -13.341 1.00 0.00 H ATOM 92 HB2 LEU A 6 0.543 -1.695 -11.682 1.00 0.00 H ATOM 93 HB3 LEU A 6 -0.645 -1.947 -10.382 1.00 0.00 H ATOM 94 HG LEU A 6 -0.602 -4.358 -10.819 1.00 0.00 H ATOM 95 HD21 LEU A 6 2.124 -3.144 -10.315 1.00 0.00 H ATOM 96 HD22 LEU A 6 0.850 -3.442 -9.108 1.00 0.00 H ATOM 97 HD23 LEU A 6 1.646 -4.813 -9.919 1.00 0.00 H ATOM 98 HD11 LEU A 6 -0.021 -4.411 -13.166 1.00 0.00 H ATOM 99 HD12 LEU A 6 1.597 -3.756 -12.811 1.00 0.00 H ATOM 100 HD13 LEU A 6 1.143 -5.375 -12.225 1.00 0.00 H ATOM 101 H LEU A 6 -1.596 -0.078 -11.698 1.00 0.00 H ATOM 102 N LYS A 7 -3.488 -2.696 -11.099 1.00 18.99 N ATOM 103 CA LYS A 7 -4.688 -3.460 -10.736 1.00 19.47 C ATOM 104 C LYS A 7 -5.519 -3.762 -11.993 1.00 22.18 C ATOM 105 O LYS A 7 -5.863 -4.918 -12.239 1.00 20.68 O ATOM 106 CB LYS A 7 -5.571 -2.678 -9.739 1.00 21.96 C ATOM 107 CG LYS A 7 -5.186 -2.808 -8.285 1.00 38.58 C ATOM 108 CD LYS A 7 -6.292 -2.260 -7.393 1.00 49.92 C ATOM 109 CE LYS A 7 -5.752 -1.494 -6.213 1.00 61.16 C ATOM 110 NZ LYS A 7 -6.808 -1.239 -5.198 1.00 70.78 N ATOM 111 HA LYS A 7 -4.358 -4.387 -10.267 1.00 0.00 H ATOM 112 HB2 LYS A 7 -5.524 -1.622 -10.006 1.00 0.00 H ATOM 113 HB3 LYS A 7 -6.596 -3.033 -9.848 1.00 0.00 H ATOM 114 HG2 LYS A 7 -5.021 -3.859 -8.049 1.00 0.00 H ATOM 115 HG3 LYS A 7 -4.268 -2.249 -8.105 1.00 0.00 H ATOM 116 HD2 LYS A 7 -6.922 -1.595 -7.984 1.00 0.00 H ATOM 117 HD3 LYS A 7 -6.891 -3.093 -7.025 1.00 0.00 H ATOM 118 HE2 LYS A 7 -5.357 -0.539 -6.561 1.00 0.00 H ATOM 119 HE3 LYS A 7 -4.950 -2.071 -5.753 1.00 0.00 H ATOM 120 HZ1 LYS A 7 -7.574 -0.683 -5.629 1.00 0.00 H ATOM 121 HZ2 LYS A 7 -7.186 -2.146 -4.857 1.00 0.00 H ATOM 122 HZ3 LYS A 7 -6.400 -0.710 -4.401 1.00 0.00 H ATOM 123 H LYS A 7 -3.308 -1.801 -10.600 1.00 0.00 H ATOM 124 N THR A 8 -5.822 -2.718 -12.788 1.00 19.29 N ATOM 125 CA THR A 8 -6.587 -2.815 -14.030 1.00 18.64 C ATOM 126 C THR A 8 -5.864 -3.699 -15.055 1.00 21.27 C ATOM 127 O THR A 8 -6.493 -4.548 -15.697 1.00 20.25 O ATOM 128 CB THR A 8 -6.844 -1.399 -14.579 1.00 26.32 C ATOM 129 OG1 THR A 8 -7.547 -0.647 -13.588 1.00 28.51 O ATOM 130 CG2 THR A 8 -7.624 -1.397 -15.898 1.00 25.20 C ATOM 131 HA THR A 8 -7.547 -3.290 -13.827 1.00 0.00 H ATOM 132 HB THR A 8 -5.878 -0.945 -14.798 1.00 0.00 H ATOM 133 HG1 THR A 8 -7.000 -0.596 -12.765 1.00 0.00 H ATOM 134 HG23 THR A 8 -7.076 -1.974 -16.643 1.00 0.00 H ATOM 135 HG21 THR A 8 -8.605 -1.845 -15.739 1.00 0.00 H ATOM 136 HG22 THR A 8 -7.744 -0.371 -16.246 1.00 0.00 H ATOM 137 H THR A 8 -5.488 -1.777 -12.498 1.00 0.00 H ATOM 138 N ARG A 9 -4.543 -3.486 -15.211 1.00 17.37 N ATOM 139 CA ARG A 9 -3.725 -4.238 -16.154 1.00 15.81 C ATOM 140 C ARG A 9 -3.722 -5.716 -15.786 1.00 18.13 C ATOM 141 O ARG A 9 -3.883 -6.558 -16.672 1.00 16.91 O ATOM 142 CB ARG A 9 -2.298 -3.662 -16.205 1.00 17.12 C ATOM 143 CG ARG A 9 -1.357 -4.410 -17.124 1.00 18.49 C ATOM 144 CD ARG A 9 -1.693 -4.296 -18.605 1.00 18.80 C ATOM 145 NE ARG A 9 -0.785 -5.146 -19.363 1.00 19.68 N ATOM 146 CZ ARG A 9 0.476 -4.833 -19.639 1.00 23.81 C ATOM 147 NH1 ARG A 9 0.956 -3.639 -19.305 1.00 19.55 N ATOM 148 NH2 ARG A 9 1.254 -5.688 -20.278 1.00 20.61 N ATOM 149 HA ARG A 9 -4.154 -4.144 -17.152 1.00 0.00 H ATOM 150 HB2 ARG A 9 -2.359 -2.628 -16.546 1.00 0.00 H ATOM 151 HB3 ARG A 9 -1.883 -3.687 -15.197 1.00 0.00 H ATOM 152 HG2 ARG A 9 -0.351 -4.019 -16.972 1.00 0.00 H ATOM 153 HG3 ARG A 9 -1.381 -5.465 -16.850 1.00 0.00 H ATOM 154 HD2 ARG A 9 -1.580 -3.261 -18.927 1.00 0.00 H ATOM 155 HD3 ARG A 9 -2.721 -4.617 -18.773 1.00 0.00 H ATOM 156 HE ARG A 9 -1.147 -6.057 -19.711 1.00 0.00 H ATOM 157 HH12 ARG A 9 1.944 -3.396 -19.522 1.00 0.00 H ATOM 158 HH11 ARG A 9 0.344 -2.948 -18.827 1.00 0.00 H ATOM 159 HH22 ARG A 9 2.240 -5.435 -20.490 1.00 0.00 H ATOM 160 HH21 ARG A 9 0.880 -6.614 -20.569 1.00 0.00 H ATOM 161 H ARG A 9 -4.086 -2.752 -14.633 1.00 0.00 H ATOM 162 N LEU A 10 -3.552 -6.034 -14.496 1.00 14.78 N ATOM 163 CA LEU A 10 -3.577 -7.439 -14.059 1.00 13.15 C ATOM 164 C LEU A 10 -4.934 -8.062 -14.354 1.00 17.19 C ATOM 165 O LEU A 10 -4.974 -9.161 -14.887 1.00 16.65 O ATOM 166 CB LEU A 10 -3.254 -7.564 -12.566 1.00 13.55 C ATOM 167 CG LEU A 10 -1.780 -7.438 -12.200 1.00 16.77 C ATOM 168 CD1 LEU A 10 -1.633 -7.129 -10.722 1.00 18.75 C ATOM 169 CD2 LEU A 10 -1.006 -8.715 -12.540 1.00 16.02 C ATOM 170 HA LEU A 10 -2.810 -7.975 -14.618 1.00 0.00 H ATOM 171 HB2 LEU A 10 -3.799 -6.782 -12.038 1.00 0.00 H ATOM 172 HB3 LEU A 10 -3.602 -8.540 -12.228 1.00 0.00 H ATOM 173 HG LEU A 10 -1.362 -6.621 -12.787 1.00 0.00 H ATOM 174 HD21 LEU A 10 -1.429 -9.553 -11.986 1.00 0.00 H ATOM 175 HD22 LEU A 10 -1.081 -8.910 -13.610 1.00 0.00 H ATOM 176 HD23 LEU A 10 0.041 -8.588 -12.265 1.00 0.00 H ATOM 177 HD11 LEU A 10 -2.139 -6.190 -10.496 1.00 0.00 H ATOM 178 HD12 LEU A 10 -2.079 -7.934 -10.138 1.00 0.00 H ATOM 179 HD13 LEU A 10 -0.575 -7.042 -10.474 1.00 0.00 H ATOM 180 H LEU A 10 -3.401 -5.280 -13.796 1.00 0.00 H ATOM 181 N HIS A 11 -6.046 -7.358 -14.059 1.00 15.01 N ATOM 182 CA HIS A 11 -7.370 -7.903 -14.373 1.00 15.51 C ATOM 183 C HIS A 11 -7.524 -8.169 -15.875 1.00 17.81 C ATOM 184 O HIS A 11 -8.053 -9.209 -16.254 1.00 18.67 O ATOM 185 CB HIS A 11 -8.497 -6.981 -13.874 1.00 17.70 C ATOM 186 CG HIS A 11 -8.577 -6.841 -12.384 1.00 22.74 C ATOM 187 ND1 HIS A 11 -8.224 -7.875 -11.534 1.00 25.43 N ATOM 188 CD2 HIS A 11 -9.003 -5.793 -11.641 1.00 25.63 C ATOM 189 CE1 HIS A 11 -8.437 -7.423 -10.308 1.00 25.52 C ATOM 190 NE2 HIS A 11 -8.895 -6.172 -10.323 1.00 26.07 N ATOM 191 HA HIS A 11 -7.454 -8.854 -13.847 1.00 0.00 H ATOM 192 HB2 HIS A 11 -8.340 -5.990 -14.301 1.00 0.00 H ATOM 193 HB3 HIS A 11 -9.446 -7.382 -14.229 1.00 0.00 H ATOM 194 HD2 HIS A 11 -9.362 -4.834 -12.015 1.00 0.00 H ATOM 195 HE1 HIS A 11 -8.260 -8.001 -9.401 1.00 0.00 H ATOM 196 H HIS A 11 -5.964 -6.425 -13.607 1.00 0.00 H ATOM 197 N THR A 12 -7.044 -7.234 -16.726 1.00 15.26 N ATOM 198 CA THR A 12 -7.131 -7.373 -18.182 1.00 14.70 C ATOM 199 C THR A 12 -6.357 -8.611 -18.629 1.00 16.05 C ATOM 200 O THR A 12 -6.924 -9.462 -19.329 1.00 15.14 O ATOM 201 CB THR A 12 -6.666 -6.084 -18.874 1.00 21.57 C ATOM 202 OG1 THR A 12 -7.532 -5.026 -18.486 1.00 19.83 O ATOM 203 CG2 THR A 12 -6.661 -6.201 -20.394 1.00 21.08 C ATOM 204 HA THR A 12 -8.169 -7.521 -18.481 1.00 0.00 H ATOM 205 HB THR A 12 -5.639 -5.890 -18.565 1.00 0.00 H ATOM 206 HG1 THR A 12 -7.495 -4.915 -17.503 1.00 0.00 H ATOM 207 HG23 THR A 12 -5.997 -7.012 -20.693 1.00 0.00 H ATOM 208 HG21 THR A 12 -7.672 -6.410 -20.744 1.00 0.00 H ATOM 209 HG22 THR A 12 -6.311 -5.265 -20.828 1.00 0.00 H ATOM 210 H THR A 12 -6.595 -6.383 -16.331 1.00 0.00 H ATOM 211 N GLU A 13 -5.087 -8.743 -18.192 1.00 13.55 N ATOM 212 CA GLU A 13 -4.281 -9.898 -18.601 1.00 11.56 C ATOM 213 C GLU A 13 -4.837 -11.199 -18.089 1.00 14.17 C ATOM 214 O GLU A 13 -4.787 -12.211 -18.794 1.00 15.10 O ATOM 215 CB GLU A 13 -2.794 -9.749 -18.231 1.00 12.99 C ATOM 216 CG GLU A 13 -2.132 -8.500 -18.801 1.00 17.26 C ATOM 217 CD GLU A 13 -2.008 -8.378 -20.314 1.00 28.04 C ATOM 218 OE1 GLU A 13 -2.367 -9.330 -21.044 1.00 19.65 O ATOM 219 OE2 GLU A 13 -1.510 -7.325 -20.769 1.00 20.97 O ATOM 220 HA GLU A 13 -4.340 -9.923 -19.689 1.00 0.00 H ATOM 221 HB2 GLU A 13 -2.713 -9.714 -17.145 1.00 0.00 H ATOM 222 HB3 GLU A 13 -2.259 -10.622 -18.606 1.00 0.00 H ATOM 223 HG2 GLU A 13 -2.707 -7.642 -18.453 1.00 0.00 H ATOM 224 HG3 GLU A 13 -1.124 -8.451 -18.389 1.00 0.00 H ATOM 225 H GLU A 13 -4.678 -8.023 -17.563 1.00 0.00 H ATOM 226 N GLN A 14 -5.357 -11.192 -16.864 1.00 11.87 N ATOM 227 CA GLN A 14 -5.943 -12.397 -16.279 1.00 11.25 C ATOM 228 C GLN A 14 -7.141 -12.855 -17.116 1.00 14.66 C ATOM 229 O GLN A 14 -7.282 -14.046 -17.380 1.00 14.70 O ATOM 230 CB GLN A 14 -6.364 -12.125 -14.837 1.00 12.53 C ATOM 231 CG GLN A 14 -5.174 -12.039 -13.900 1.00 12.84 C ATOM 232 CD GLN A 14 -5.501 -11.308 -12.621 1.00 16.18 C ATOM 233 OE1 GLN A 14 -6.642 -10.877 -12.386 1.00 16.27 O ATOM 234 NE2 GLN A 14 -4.496 -11.134 -11.776 1.00 15.49 N ATOM 235 HA GLN A 14 -5.199 -13.193 -16.277 1.00 0.00 H ATOM 236 HB2 GLN A 14 -6.908 -11.181 -14.802 1.00 0.00 H ATOM 237 HB3 GLN A 14 -7.017 -12.932 -14.503 1.00 0.00 H ATOM 238 HG2 GLN A 14 -4.849 -13.050 -13.653 1.00 0.00 H ATOM 239 HG3 GLN A 14 -4.366 -11.513 -14.408 1.00 0.00 H ATOM 240 HE22 GLN A 14 -3.553 -11.509 -12.005 1.00 0.00 H ATOM 241 HE21 GLN A 14 -4.650 -10.623 -10.883 1.00 0.00 H ATOM 242 H GLN A 14 -5.346 -10.311 -16.311 1.00 0.00 H ATOM 243 N SER A 15 -7.976 -11.911 -17.569 1.00 12.58 N ATOM 244 CA SER A 15 -9.131 -12.237 -18.397 1.00 12.09 C ATOM 245 C SER A 15 -8.716 -12.729 -19.796 1.00 16.78 C ATOM 246 O SER A 15 -9.189 -13.781 -20.229 1.00 16.96 O ATOM 247 CB SER A 15 -10.058 -11.030 -18.488 1.00 16.22 C ATOM 248 OG SER A 15 -11.197 -11.359 -19.263 1.00 23.07 O ATOM 249 HA SER A 15 -9.667 -13.060 -17.924 1.00 0.00 H ATOM 250 HB2 SER A 15 -9.528 -10.201 -18.956 1.00 0.00 H ATOM 251 HB3 SER A 15 -10.373 -10.739 -17.486 1.00 0.00 H ATOM 252 HG SER A 15 -11.679 -12.112 -18.837 1.00 0.00 H ATOM 253 H SER A 15 -7.795 -10.917 -17.323 1.00 0.00 H ATOM 254 N VAL A 16 -7.818 -11.988 -20.488 1.00 14.37 N ATOM 255 CA VAL A 16 -7.321 -12.354 -21.828 1.00 13.98 C ATOM 256 C VAL A 16 -6.657 -13.734 -21.772 1.00 15.80 C ATOM 257 O VAL A 16 -6.969 -14.598 -22.593 1.00 16.42 O ATOM 258 CB VAL A 16 -6.361 -11.270 -22.378 1.00 18.74 C ATOM 259 CG1 VAL A 16 -5.667 -11.730 -23.663 1.00 19.32 C ATOM 260 CG2 VAL A 16 -7.110 -9.958 -22.607 1.00 18.66 C ATOM 261 HA VAL A 16 -8.161 -12.410 -22.520 1.00 0.00 H ATOM 262 HB VAL A 16 -5.586 -11.103 -21.630 1.00 0.00 H ATOM 263 HG11 VAL A 16 -5.088 -12.631 -23.459 1.00 0.00 H ATOM 264 HG12 VAL A 16 -6.418 -11.943 -24.424 1.00 0.00 H ATOM 265 HG13 VAL A 16 -5.002 -10.942 -24.017 1.00 0.00 H ATOM 266 HG21 VAL A 16 -7.912 -10.120 -23.327 1.00 0.00 H ATOM 267 HG22 VAL A 16 -7.532 -9.612 -21.663 1.00 0.00 H ATOM 268 HG23 VAL A 16 -6.419 -9.209 -22.993 1.00 0.00 H ATOM 269 H VAL A 16 -7.460 -11.115 -20.052 1.00 0.00 H ATOM 270 N CYS A 17 -5.780 -13.950 -20.777 1.00 12.75 N ATOM 271 CA CYS A 17 -5.067 -15.217 -20.655 1.00 13.28 C ATOM 272 C CYS A 17 -5.925 -16.394 -20.258 1.00 15.71 C ATOM 273 O CYS A 17 -5.620 -17.528 -20.649 1.00 15.09 O ATOM 274 CB CYS A 17 -3.836 -15.066 -19.774 1.00 14.70 C ATOM 275 SG CYS A 17 -2.561 -14.009 -20.512 1.00 18.98 S ATOM 276 HA CYS A 17 -4.737 -15.467 -21.663 1.00 0.00 H ATOM 277 HB2 CYS A 17 -3.410 -16.054 -19.600 1.00 0.00 H ATOM 278 HB3 CYS A 17 -4.141 -14.630 -18.823 1.00 0.00 H ATOM 279 H CYS A 17 -5.606 -13.198 -20.080 1.00 0.00 H ATOM 280 N LYS A 18 -7.015 -16.147 -19.513 1.00 13.97 N ATOM 281 CA LYS A 18 -7.945 -17.223 -19.159 1.00 13.86 C ATOM 282 C LYS A 18 -8.668 -17.674 -20.437 1.00 17.96 C ATOM 283 O LYS A 18 -8.760 -18.876 -20.698 1.00 17.98 O ATOM 284 CB LYS A 18 -8.960 -16.792 -18.084 1.00 15.56 C ATOM 285 CG LYS A 18 -9.868 -17.938 -17.661 1.00 22.03 C ATOM 286 CD LYS A 18 -11.186 -17.474 -17.113 1.00 31.85 C ATOM 287 CE LYS A 18 -12.167 -18.604 -16.862 1.00 32.79 C ATOM 288 NZ LYS A 18 -12.663 -19.224 -18.118 1.00 36.67 N ATOM 289 HA LYS A 18 -7.378 -18.048 -18.729 1.00 0.00 H ATOM 290 HB2 LYS A 18 -8.416 -16.433 -17.210 1.00 0.00 H ATOM 291 HB3 LYS A 18 -9.575 -15.986 -18.484 1.00 0.00 H ATOM 292 HG2 LYS A 18 -10.056 -18.570 -18.529 1.00 0.00 H ATOM 293 HG3 LYS A 18 -9.358 -18.520 -16.893 1.00 0.00 H ATOM 294 HD2 LYS A 18 -11.006 -16.957 -16.170 1.00 0.00 H ATOM 295 HD3 LYS A 18 -11.632 -16.781 -17.826 1.00 0.00 H ATOM 296 HE2 LYS A 18 -13.019 -18.210 -16.308 1.00 0.00 H ATOM 297 HE3 LYS A 18 -11.671 -19.371 -16.267 1.00 0.00 H ATOM 298 HZ1 LYS A 18 -13.147 -18.504 -18.691 1.00 0.00 H ATOM 299 HZ2 LYS A 18 -11.860 -19.612 -18.652 1.00 0.00 H ATOM 300 HZ3 LYS A 18 -13.329 -19.989 -17.886 1.00 0.00 H ATOM 301 H LYS A 18 -7.202 -15.179 -19.183 1.00 0.00 H ATOM 302 N THR A 19 -9.136 -16.718 -21.250 1.00 15.82 N ATOM 303 CA THR A 19 -9.815 -17.040 -22.511 1.00 16.53 C ATOM 304 C THR A 19 -8.891 -17.793 -23.492 1.00 21.18 C ATOM 305 O THR A 19 -9.319 -18.778 -24.110 1.00 21.64 O ATOM 306 CB THR A 19 -10.430 -15.771 -23.120 1.00 24.76 C ATOM 307 OG1 THR A 19 -11.270 -15.167 -22.143 1.00 24.01 O ATOM 308 CG2 THR A 19 -11.229 -16.052 -24.387 1.00 24.75 C ATOM 309 HA THR A 19 -10.632 -17.729 -22.297 1.00 0.00 H ATOM 310 HB THR A 19 -9.617 -15.104 -23.407 1.00 0.00 H ATOM 311 HG1 THR A 19 -11.675 -14.346 -22.520 1.00 0.00 H ATOM 312 HG23 THR A 19 -10.579 -16.514 -25.130 1.00 0.00 H ATOM 313 HG21 THR A 19 -12.053 -16.726 -24.153 1.00 0.00 H ATOM 314 HG22 THR A 19 -11.625 -15.116 -24.781 1.00 0.00 H ATOM 315 H THR A 19 -9.015 -15.721 -20.981 1.00 0.00 H ATOM 316 N GLU A 20 -7.632 -17.331 -23.620 1.00 17.45 N ATOM 317 CA GLU A 20 -6.629 -17.899 -24.528 1.00 16.99 C ATOM 318 C GLU A 20 -6.226 -19.336 -24.187 1.00 19.50 C ATOM 319 O GLU A 20 -5.951 -20.115 -25.096 1.00 19.55 O ATOM 320 CB GLU A 20 -5.388 -16.987 -24.580 1.00 18.66 C ATOM 321 CG GLU A 20 -4.342 -17.379 -25.617 1.00 26.20 C ATOM 322 CD GLU A 20 -3.001 -16.683 -25.479 1.00 45.95 C ATOM 323 OE1 GLU A 20 -2.985 -15.435 -25.381 1.00 44.00 O ATOM 324 OE2 GLU A 20 -1.962 -17.382 -25.493 1.00 32.69 O ATOM 325 HA GLU A 20 -7.098 -17.948 -25.511 1.00 0.00 H ATOM 326 HB2 GLU A 20 -5.722 -15.974 -24.803 1.00 0.00 H ATOM 327 HB3 GLU A 20 -4.914 -17.004 -23.599 1.00 0.00 H ATOM 328 HG2 GLU A 20 -4.174 -18.453 -25.537 1.00 0.00 H ATOM 329 HG3 GLU A 20 -4.742 -17.147 -26.604 1.00 0.00 H ATOM 330 H GLU A 20 -7.352 -16.517 -23.036 1.00 0.00 H ATOM 331 N THR A 21 -6.170 -19.680 -22.889 1.00 15.84 N ATOM 332 CA THR A 21 -5.700 -20.990 -22.421 1.00 15.06 C ATOM 333 C THR A 21 -6.763 -22.009 -22.089 1.00 18.84 C ATOM 334 O THR A 21 -6.445 -23.201 -21.983 1.00 19.43 O ATOM 335 CB THR A 21 -4.768 -20.787 -21.214 1.00 18.59 C ATOM 336 OG1 THR A 21 -5.544 -20.217 -20.157 1.00 16.92 O ATOM 337 CG2 THR A 21 -3.575 -19.889 -21.537 1.00 18.85 C ATOM 338 HA THR A 21 -5.179 -21.424 -23.274 1.00 0.00 H ATOM 339 HB THR A 21 -4.353 -21.752 -20.924 1.00 0.00 H ATOM 340 HG1 THR A 21 -5.917 -19.350 -20.454 1.00 0.00 H ATOM 341 HG23 THR A 21 -2.993 -20.336 -22.343 1.00 0.00 H ATOM 342 HG21 THR A 21 -3.934 -18.908 -21.847 1.00 0.00 H ATOM 343 HG22 THR A 21 -2.949 -19.785 -20.650 1.00 0.00 H ATOM 344 H THR A 21 -6.475 -18.983 -22.180 1.00 0.00 H ATOM 345 N GLY A 22 -7.981 -21.550 -21.833 1.00 16.25 N ATOM 346 CA GLY A 22 -9.078 -22.437 -21.461 1.00 16.42 C ATOM 347 C GLY A 22 -9.042 -22.887 -20.012 1.00 19.01 C ATOM 348 O GLY A 22 -9.804 -23.779 -19.621 1.00 20.02 O ATOM 349 HA3 GLY A 22 -9.035 -23.322 -22.096 1.00 0.00 H ATOM 350 HA2 GLY A 22 -10.018 -21.912 -21.634 1.00 0.00 H ATOM 351 H GLY A 22 -8.159 -20.528 -21.899 1.00 0.00 H ATOM 352 N ILE A 23 -8.169 -22.278 -19.196 1.00 14.76 N ATOM 353 CA ILE A 23 -8.060 -22.600 -17.771 1.00 13.12 C ATOM 354 C ILE A 23 -9.393 -22.320 -17.060 1.00 17.73 C ATOM 355 O ILE A 23 -10.067 -21.333 -17.356 1.00 17.03 O ATOM 356 CB ILE A 23 -6.863 -21.870 -17.087 1.00 15.00 C ATOM 357 CG1 ILE A 23 -6.580 -22.447 -15.672 1.00 14.97 C ATOM 358 CG2 ILE A 23 -7.059 -20.336 -17.057 1.00 15.29 C ATOM 359 CD1 ILE A 23 -5.246 -21.972 -15.039 1.00 16.33 C ATOM 360 HA ILE A 23 -7.846 -23.665 -17.683 1.00 0.00 H ATOM 361 HB ILE A 23 -5.980 -22.059 -17.697 1.00 0.00 H ATOM 362 HG12 ILE A 23 -7.395 -22.149 -15.013 1.00 0.00 H ATOM 363 HG13 ILE A 23 -6.554 -23.534 -15.746 1.00 0.00 H ATOM 364 HD11 ILE A 23 -4.415 -22.273 -15.677 1.00 0.00 H ATOM 365 HD12 ILE A 23 -5.257 -20.886 -14.943 1.00 0.00 H ATOM 366 HD13 ILE A 23 -5.132 -22.424 -14.054 1.00 0.00 H ATOM 367 HG21 ILE A 23 -7.148 -19.962 -18.077 1.00 0.00 H ATOM 368 HG22 ILE A 23 -7.966 -20.098 -16.501 1.00 0.00 H ATOM 369 HG23 ILE A 23 -6.201 -19.871 -16.572 1.00 0.00 H ATOM 370 H ILE A 23 -7.544 -21.547 -19.591 1.00 0.00 H ATOM 371 N ASP A 24 -9.766 -23.199 -16.142 1.00 15.66 N ATOM 372 CA ASP A 24 -10.962 -23.067 -15.315 1.00 16.15 C ATOM 373 C ASP A 24 -10.778 -21.837 -14.396 1.00 17.74 C ATOM 374 O ASP A 24 -9.659 -21.565 -13.932 1.00 16.13 O ATOM 375 CB ASP A 24 -11.122 -24.366 -14.501 1.00 19.07 C ATOM 376 CG ASP A 24 -12.181 -24.362 -13.431 1.00 38.51 C ATOM 377 OD1 ASP A 24 -13.378 -24.452 -13.780 1.00 41.39 O ATOM 378 OD2 ASP A 24 -11.815 -24.343 -12.241 1.00 45.86 O ATOM 379 HA ASP A 24 -11.861 -22.919 -15.914 1.00 0.00 H ATOM 380 HB2 ASP A 24 -11.360 -25.168 -15.200 1.00 0.00 H ATOM 381 HB3 ASP A 24 -10.166 -24.576 -14.021 1.00 0.00 H ATOM 382 H ASP A 24 -9.168 -24.038 -16.001 1.00 0.00 H ATOM 383 N GLN A 25 -11.845 -21.057 -14.190 1.00 14.87 N ATOM 384 CA GLN A 25 -11.742 -19.865 -13.341 1.00 14.05 C ATOM 385 C GLN A 25 -11.180 -20.168 -11.951 1.00 17.80 C ATOM 386 O GLN A 25 -10.392 -19.378 -11.444 1.00 17.49 O ATOM 387 CB GLN A 25 -13.092 -19.136 -13.220 1.00 14.83 C ATOM 388 CG GLN A 25 -13.016 -17.791 -12.468 1.00 20.27 C ATOM 389 CD GLN A 25 -12.171 -16.765 -13.183 1.00 30.28 C ATOM 390 OE1 GLN A 25 -11.073 -16.396 -12.739 1.00 23.06 O ATOM 391 NE2 GLN A 25 -12.640 -16.302 -14.324 1.00 23.78 N ATOM 392 HA GLN A 25 -11.031 -19.207 -13.842 1.00 0.00 H ATOM 393 HB2 GLN A 25 -13.470 -18.946 -14.225 1.00 0.00 H ATOM 394 HB3 GLN A 25 -13.786 -19.787 -12.689 1.00 0.00 H ATOM 395 HG2 GLN A 25 -14.026 -17.395 -12.359 1.00 0.00 H ATOM 396 HG3 GLN A 25 -12.588 -17.968 -11.481 1.00 0.00 H ATOM 397 HE22 GLN A 25 -13.563 -16.626 -14.676 1.00 0.00 H ATOM 398 HE21 GLN A 25 -12.087 -15.613 -14.872 1.00 0.00 H ATOM 399 H GLN A 25 -12.754 -21.297 -14.635 1.00 0.00 H ATOM 400 N GLN A 26 -11.586 -21.286 -11.325 1.00 16.92 N ATOM 401 CA GLN A 26 -11.091 -21.611 -9.985 1.00 17.51 C ATOM 402 C GLN A 26 -9.591 -21.875 -9.993 1.00 18.79 C ATOM 403 O GLN A 26 -8.898 -21.446 -9.068 1.00 17.45 O ATOM 404 CB GLN A 26 -11.849 -22.787 -9.373 1.00 19.57 C ATOM 405 CG GLN A 26 -13.297 -22.466 -9.047 1.00 42.82 C ATOM 406 CD GLN A 26 -14.057 -23.662 -8.526 1.00 73.17 C ATOM 407 OE1 GLN A 26 -13.738 -24.827 -8.803 1.00 71.21 O ATOM 408 NE2 GLN A 26 -15.109 -23.396 -7.773 1.00 68.91 N ATOM 409 HA GLN A 26 -11.273 -20.739 -9.357 1.00 0.00 H ATOM 410 HB2 GLN A 26 -11.829 -23.617 -10.080 1.00 0.00 H ATOM 411 HB3 GLN A 26 -11.345 -23.083 -8.453 1.00 0.00 H ATOM 412 HG2 GLN A 26 -13.319 -21.682 -8.290 1.00 0.00 H ATOM 413 HG3 GLN A 26 -13.787 -22.108 -9.952 1.00 0.00 H ATOM 414 HE22 GLN A 26 -15.356 -22.410 -7.555 1.00 0.00 H ATOM 415 HE21 GLN A 26 -15.690 -24.173 -7.398 1.00 0.00 H ATOM 416 H GLN A 26 -12.257 -21.926 -11.796 1.00 0.00 H ATOM 417 N LYS A 27 -9.095 -22.561 -11.041 1.00 14.61 N ATOM 418 CA LYS A 27 -7.665 -22.828 -11.197 1.00 14.38 C ATOM 419 C LYS A 27 -6.919 -21.518 -11.421 1.00 16.05 C ATOM 420 O LYS A 27 -5.848 -21.332 -10.844 1.00 15.70 O ATOM 421 CB LYS A 27 -7.405 -23.812 -12.345 1.00 16.43 C ATOM 422 CG LYS A 27 -7.215 -25.261 -11.911 1.00 35.14 C ATOM 423 CD LYS A 27 -5.852 -25.490 -11.268 1.00 40.36 C ATOM 424 CE LYS A 27 -5.326 -26.879 -11.499 1.00 44.32 C ATOM 425 NZ LYS A 27 -4.716 -27.430 -10.265 1.00 41.19 N ATOM 426 HA LYS A 27 -7.296 -23.293 -10.283 1.00 0.00 H ATOM 427 HB2 LYS A 27 -8.254 -23.770 -13.027 1.00 0.00 H ATOM 428 HB3 LYS A 27 -6.504 -23.493 -12.868 1.00 0.00 H ATOM 429 HG2 LYS A 27 -7.992 -25.518 -11.191 1.00 0.00 H ATOM 430 HG3 LYS A 27 -7.305 -25.905 -12.786 1.00 0.00 H ATOM 431 HD2 LYS A 27 -5.144 -24.775 -11.687 1.00 0.00 H ATOM 432 HD3 LYS A 27 -5.941 -25.325 -10.194 1.00 0.00 H ATOM 433 HE2 LYS A 27 -4.573 -26.849 -12.286 1.00 0.00 H ATOM 434 HE3 LYS A 27 -6.148 -27.524 -11.809 1.00 0.00 H ATOM 435 HZ1 LYS A 27 -3.928 -26.820 -9.967 1.00 0.00 H ATOM 436 HZ2 LYS A 27 -5.432 -27.466 -9.512 1.00 0.00 H ATOM 437 HZ3 LYS A 27 -4.361 -28.389 -10.454 1.00 0.00 H ATOM 438 H LYS A 27 -9.753 -22.914 -11.766 1.00 0.00 H ATOM 439 N ALA A 28 -7.489 -20.591 -12.227 1.00 13.14 N ATOM 440 CA ALA A 28 -6.881 -19.275 -12.445 1.00 12.51 C ATOM 441 C ALA A 28 -6.841 -18.513 -11.119 1.00 14.06 C ATOM 442 O ALA A 28 -5.825 -17.890 -10.802 1.00 13.82 O ATOM 443 CB ALA A 28 -7.676 -18.487 -13.477 1.00 13.15 C ATOM 444 HA ALA A 28 -5.866 -19.406 -12.821 1.00 0.00 H ATOM 445 HB1 ALA A 28 -7.687 -19.034 -14.420 1.00 0.00 H ATOM 446 HB2 ALA A 28 -8.697 -18.352 -13.121 1.00 0.00 H ATOM 447 HB3 ALA A 28 -7.210 -17.513 -13.626 1.00 0.00 H ATOM 448 H ALA A 28 -8.384 -20.819 -12.705 1.00 0.00 H ATOM 449 N ASN A 29 -7.935 -18.590 -10.326 1.00 11.57 N ATOM 450 CA ASN A 29 -7.994 -17.945 -9.011 1.00 11.05 C ATOM 451 C ASN A 29 -6.904 -18.480 -8.070 1.00 14.38 C ATOM 452 O ASN A 29 -6.320 -17.691 -7.336 1.00 14.33 O ATOM 453 CB ASN A 29 -9.388 -18.089 -8.378 1.00 14.05 C ATOM 454 CG ASN A 29 -10.497 -17.302 -9.050 1.00 23.60 C ATOM 455 OD1 ASN A 29 -11.690 -17.488 -8.740 1.00 23.88 O ATOM 456 ND2 ASN A 29 -10.156 -16.385 -9.945 1.00 13.67 N ATOM 457 HA ASN A 29 -7.805 -16.882 -9.164 1.00 0.00 H ATOM 458 HB2 ASN A 29 -9.661 -19.144 -8.404 1.00 0.00 H ATOM 459 HB3 ASN A 29 -9.322 -17.758 -7.342 1.00 0.00 H ATOM 460 HD22 ASN A 29 -9.155 -16.245 -10.190 1.00 0.00 H ATOM 461 HD21 ASN A 29 -10.889 -15.806 -10.402 1.00 0.00 H ATOM 462 H ASN A 29 -8.762 -19.125 -10.661 1.00 0.00 H ATOM 463 N ASP A 30 -6.610 -19.801 -8.118 1.00 13.25 N ATOM 464 CA ASP A 30 -5.527 -20.387 -7.328 1.00 13.82 C ATOM 465 C ASP A 30 -4.185 -19.723 -7.708 1.00 16.44 C ATOM 466 O ASP A 30 -3.438 -19.294 -6.821 1.00 16.26 O ATOM 467 CB ASP A 30 -5.436 -21.909 -7.558 1.00 15.60 C ATOM 468 CG ASP A 30 -6.601 -22.739 -7.052 1.00 24.96 C ATOM 469 OD1 ASP A 30 -7.369 -22.235 -6.193 1.00 25.91 O ATOM 470 OD2 ASP A 30 -6.701 -23.924 -7.453 1.00 29.64 O ATOM 471 HA ASP A 30 -5.738 -20.210 -6.273 1.00 0.00 H ATOM 472 HB2 ASP A 30 -5.350 -22.078 -8.631 1.00 0.00 H ATOM 473 HB3 ASP A 30 -4.534 -22.266 -7.062 1.00 0.00 H ATOM 474 H ASP A 30 -7.173 -20.419 -8.737 1.00 0.00 H ATOM 475 N VAL A 31 -3.913 -19.569 -9.024 1.00 12.36 N ATOM 476 CA VAL A 31 -2.685 -18.929 -9.508 1.00 11.97 C ATOM 477 C VAL A 31 -2.606 -17.481 -9.015 1.00 14.90 C ATOM 478 O VAL A 31 -1.572 -17.051 -8.504 1.00 14.03 O ATOM 479 CB VAL A 31 -2.602 -19.012 -11.056 1.00 14.66 C ATOM 480 CG1 VAL A 31 -1.465 -18.150 -11.612 1.00 14.30 C ATOM 481 CG2 VAL A 31 -2.462 -20.467 -11.519 1.00 14.60 C ATOM 482 HA VAL A 31 -1.826 -19.464 -9.103 1.00 0.00 H ATOM 483 HB VAL A 31 -3.536 -18.614 -11.453 1.00 0.00 H ATOM 484 HG11 VAL A 31 -1.630 -17.109 -11.333 1.00 0.00 H ATOM 485 HG12 VAL A 31 -0.516 -18.492 -11.199 1.00 0.00 H ATOM 486 HG13 VAL A 31 -1.443 -18.237 -12.698 1.00 0.00 H ATOM 487 HG21 VAL A 31 -1.554 -20.896 -11.095 1.00 0.00 H ATOM 488 HG22 VAL A 31 -3.327 -21.039 -11.183 1.00 0.00 H ATOM 489 HG23 VAL A 31 -2.406 -20.497 -12.607 1.00 0.00 H ATOM 490 H VAL A 31 -4.602 -19.918 -9.720 1.00 0.00 H ATOM 491 N ILE A 32 -3.715 -16.759 -9.110 1.00 11.47 N ATOM 492 CA ILE A 32 -3.773 -15.359 -8.701 1.00 11.05 C ATOM 493 C ILE A 32 -3.498 -15.236 -7.192 1.00 16.07 C ATOM 494 O ILE A 32 -2.888 -14.259 -6.770 1.00 15.09 O ATOM 495 CB ILE A 32 -5.133 -14.742 -9.134 1.00 13.72 C ATOM 496 CG1 ILE A 32 -5.243 -14.694 -10.666 1.00 14.10 C ATOM 497 CG2 ILE A 32 -5.368 -13.349 -8.511 1.00 15.03 C ATOM 498 CD1 ILE A 32 -6.688 -14.425 -11.205 1.00 14.32 C ATOM 499 HA ILE A 32 -2.993 -14.786 -9.202 1.00 0.00 H ATOM 500 HB ILE A 32 -5.921 -15.392 -8.753 1.00 0.00 H ATOM 501 HG12 ILE A 32 -4.590 -13.900 -11.030 1.00 0.00 H ATOM 502 HG13 ILE A 32 -4.904 -15.651 -11.062 1.00 0.00 H ATOM 503 HD11 ILE A 32 -7.355 -15.216 -10.863 1.00 0.00 H ATOM 504 HD12 ILE A 32 -7.041 -13.464 -10.831 1.00 0.00 H ATOM 505 HD13 ILE A 32 -6.671 -14.408 -12.295 1.00 0.00 H ATOM 506 HG21 ILE A 32 -5.365 -13.433 -7.424 1.00 0.00 H ATOM 507 HG22 ILE A 32 -4.574 -12.673 -8.826 1.00 0.00 H ATOM 508 HG23 ILE A 32 -6.331 -12.961 -8.844 1.00 0.00 H ATOM 509 H ILE A 32 -4.574 -17.207 -9.489 1.00 0.00 H ATOM 510 N GLU A 33 -3.889 -16.249 -6.405 1.00 14.89 N ATOM 511 CA GLU A 33 -3.701 -16.233 -4.946 1.00 15.32 C ATOM 512 C GLU A 33 -2.316 -16.772 -4.545 1.00 19.91 C ATOM 513 O GLU A 33 -1.983 -16.831 -3.361 1.00 19.65 O ATOM 514 CB GLU A 33 -4.828 -17.020 -4.244 1.00 17.03 C ATOM 515 CG GLU A 33 -6.157 -16.289 -4.242 1.00 28.20 C ATOM 516 CD GLU A 33 -7.422 -17.076 -3.953 1.00 51.28 C ATOM 517 OE1 GLU A 33 -7.319 -18.226 -3.471 1.00 35.27 O ATOM 518 OE2 GLU A 33 -8.525 -16.527 -4.190 1.00 42.92 O ATOM 519 HA GLU A 33 -3.751 -15.195 -4.617 1.00 0.00 H ATOM 520 HB2 GLU A 33 -4.957 -17.973 -4.758 1.00 0.00 H ATOM 521 HB3 GLU A 33 -4.532 -17.203 -3.211 1.00 0.00 H ATOM 522 HG2 GLU A 33 -6.090 -15.502 -3.490 1.00 0.00 H ATOM 523 HG3 GLU A 33 -6.277 -15.839 -5.227 1.00 0.00 H ATOM 524 H GLU A 33 -4.342 -17.077 -6.842 1.00 0.00 H ATOM 525 N GLY A 34 -1.521 -17.164 -5.532 1.00 16.84 N ATOM 526 CA GLY A 34 -0.177 -17.655 -5.269 1.00 17.58 C ATOM 527 C GLY A 34 -0.084 -19.128 -4.948 1.00 21.80 C ATOM 528 O GLY A 34 0.963 -19.567 -4.461 1.00 23.47 O ATOM 529 HA3 GLY A 34 0.226 -17.099 -4.423 1.00 0.00 H ATOM 530 HA2 GLY A 34 0.432 -17.463 -6.152 1.00 0.00 H ATOM 531 H GLY A 34 -1.865 -17.119 -6.512 1.00 0.00 H ATOM 532 N ASN A 35 -1.148 -19.911 -5.244 1.00 17.36 N ATOM 533 CA ASN A 35 -1.125 -21.362 -5.063 1.00 17.67 C ATOM 534 C ASN A 35 -0.978 -21.945 -6.464 1.00 21.29 C ATOM 535 O ASN A 35 -1.964 -22.073 -7.192 1.00 20.70 O ATOM 536 CB ASN A 35 -2.383 -21.878 -4.356 1.00 19.52 C ATOM 537 CG ASN A 35 -2.338 -23.375 -4.091 1.00 49.44 C ATOM 538 OD1 ASN A 35 -1.276 -23.973 -3.861 1.00 47.86 O ATOM 539 ND2 ASN A 35 -3.494 -24.012 -4.101 1.00 41.91 N ATOM 540 HA ASN A 35 -0.302 -21.666 -4.416 1.00 0.00 H ATOM 541 HB2 ASN A 35 -2.485 -21.358 -3.403 1.00 0.00 H ATOM 542 HB3 ASN A 35 -3.249 -21.661 -4.982 1.00 0.00 H ATOM 543 HD22 ASN A 35 -4.373 -23.491 -4.296 1.00 0.00 H ATOM 544 HD21 ASN A 35 -3.526 -25.035 -3.914 1.00 0.00 H ATOM 545 H ASN A 35 -2.012 -19.465 -5.613 1.00 0.00 H ATOM 546 N ILE A 36 0.273 -22.218 -6.860 1.00 18.74 N ATOM 547 CA ILE A 36 0.572 -22.657 -8.213 1.00 18.63 C ATOM 548 C ILE A 36 0.826 -24.147 -8.337 1.00 21.96 C ATOM 549 O ILE A 36 1.796 -24.669 -7.779 1.00 22.31 O ATOM 550 CB ILE A 36 1.651 -21.743 -8.872 1.00 22.26 C ATOM 551 CG1 ILE A 36 1.117 -20.278 -8.980 1.00 24.18 C ATOM 552 CG2 ILE A 36 2.051 -22.231 -10.276 1.00 20.92 C ATOM 553 CD1 ILE A 36 1.700 -19.368 -8.065 1.00 36.70 C ATOM 554 HA ILE A 36 -0.334 -22.526 -8.805 1.00 0.00 H ATOM 555 HB ILE A 36 2.534 -21.782 -8.234 1.00 0.00 H ATOM 556 HG12 ILE A 36 1.314 -19.918 -9.990 1.00 0.00 H ATOM 557 HG13 ILE A 36 0.041 -20.294 -8.805 1.00 0.00 H ATOM 558 HD11 ILE A 36 1.503 -19.702 -7.046 1.00 0.00 H ATOM 559 HD12 ILE A 36 2.776 -19.325 -8.233 1.00 0.00 H ATOM 560 HD13 ILE A 36 1.268 -18.378 -8.214 1.00 0.00 H ATOM 561 HG21 ILE A 36 2.459 -23.239 -10.206 1.00 0.00 H ATOM 562 HG22 ILE A 36 1.173 -22.237 -10.921 1.00 0.00 H ATOM 563 HG23 ILE A 36 2.804 -21.561 -10.691 1.00 0.00 H ATOM 564 H ILE A 36 1.052 -22.113 -6.179 1.00 0.00 H ATOM 565 N ASP A 37 -0.053 -24.820 -9.095 1.00 18.57 N ATOM 566 CA ASP A 37 0.056 -26.243 -9.407 1.00 18.06 C ATOM 567 C ASP A 37 0.971 -26.277 -10.640 1.00 19.96 C ATOM 568 O ASP A 37 0.503 -26.274 -11.782 1.00 19.52 O ATOM 569 CB ASP A 37 -1.336 -26.823 -9.705 1.00 19.66 C ATOM 570 CG ASP A 37 -1.407 -28.328 -9.890 1.00 28.00 C ATOM 571 OD1 ASP A 37 -2.523 -28.843 -10.098 1.00 28.66 O ATOM 572 OD2 ASP A 37 -0.343 -28.988 -9.850 1.00 31.41 O ATOM 573 HA ASP A 37 0.457 -26.843 -8.590 1.00 0.00 H ATOM 574 HB2 ASP A 37 -1.992 -26.558 -8.876 1.00 0.00 H ATOM 575 HB3 ASP A 37 -1.702 -26.357 -10.620 1.00 0.00 H ATOM 576 H ASP A 37 -0.862 -24.296 -9.485 1.00 0.00 H ATOM 577 N VAL A 38 2.295 -26.225 -10.389 1.00 16.30 N ATOM 578 CA VAL A 38 3.338 -26.117 -11.416 1.00 15.94 C ATOM 579 C VAL A 38 3.280 -27.133 -12.552 1.00 19.02 C ATOM 580 O VAL A 38 3.635 -26.801 -13.681 1.00 17.60 O ATOM 581 CB VAL A 38 4.764 -25.969 -10.835 1.00 19.80 C ATOM 582 CG1 VAL A 38 4.888 -24.713 -9.974 1.00 19.06 C ATOM 583 CG2 VAL A 38 5.169 -27.209 -10.048 1.00 20.02 C ATOM 584 HA VAL A 38 3.084 -25.174 -11.900 1.00 0.00 H ATOM 585 HB VAL A 38 5.450 -25.865 -11.676 1.00 0.00 H ATOM 586 HG11 VAL A 38 4.668 -23.835 -10.581 1.00 0.00 H ATOM 587 HG12 VAL A 38 4.181 -24.770 -9.146 1.00 0.00 H ATOM 588 HG13 VAL A 38 5.903 -24.641 -9.582 1.00 0.00 H ATOM 589 HG21 VAL A 38 4.471 -27.359 -9.224 1.00 0.00 H ATOM 590 HG22 VAL A 38 5.149 -28.078 -10.706 1.00 0.00 H ATOM 591 HG23 VAL A 38 6.176 -27.074 -9.653 1.00 0.00 H ATOM 592 H VAL A 38 2.599 -26.264 -9.395 1.00 0.00 H ATOM 593 N GLU A 39 2.860 -28.369 -12.247 1.00 17.42 N ATOM 594 CA GLU A 39 2.799 -29.459 -13.214 1.00 17.08 C ATOM 595 C GLU A 39 1.543 -29.460 -14.096 1.00 20.36 C ATOM 596 O GLU A 39 1.529 -30.153 -15.118 1.00 20.49 O ATOM 597 CB GLU A 39 2.953 -30.817 -12.502 1.00 18.60 C ATOM 598 CG GLU A 39 4.279 -31.002 -11.769 1.00 30.63 C ATOM 599 CD GLU A 39 5.547 -30.989 -12.605 1.00 56.49 C ATOM 600 OE1 GLU A 39 5.556 -31.602 -13.697 1.00 52.02 O ATOM 601 OE2 GLU A 39 6.547 -30.388 -12.148 1.00 53.46 O ATOM 602 HA GLU A 39 3.635 -29.293 -13.894 1.00 0.00 H ATOM 603 HB2 GLU A 39 2.146 -30.914 -11.776 1.00 0.00 H ATOM 604 HB3 GLU A 39 2.864 -31.605 -13.249 1.00 0.00 H ATOM 605 HG2 GLU A 39 4.362 -30.200 -11.036 1.00 0.00 H ATOM 606 HG3 GLU A 39 4.237 -31.961 -11.253 1.00 0.00 H ATOM 607 H GLU A 39 2.562 -28.561 -11.269 1.00 0.00 H ATOM 608 N ASP A 40 0.505 -28.679 -13.730 1.00 16.19 N ATOM 609 CA ASP A 40 -0.726 -28.608 -14.502 1.00 15.35 C ATOM 610 C ASP A 40 -0.528 -27.831 -15.803 1.00 17.69 C ATOM 611 O ASP A 40 -0.066 -26.686 -15.775 1.00 15.87 O ATOM 612 CB ASP A 40 -1.847 -27.992 -13.663 1.00 16.71 C ATOM 613 CG ASP A 40 -3.182 -28.019 -14.371 1.00 25.77 C ATOM 614 OD1 ASP A 40 -3.825 -29.093 -14.384 1.00 28.47 O ATOM 615 OD2 ASP A 40 -3.546 -26.999 -14.980 1.00 24.91 O ATOM 616 HA ASP A 40 -1.012 -29.625 -14.771 1.00 0.00 H ATOM 617 HB2 ASP A 40 -1.934 -28.551 -12.731 1.00 0.00 H ATOM 618 HB3 ASP A 40 -1.589 -26.956 -13.441 1.00 0.00 H ATOM 619 H ASP A 40 0.588 -28.107 -12.865 1.00 0.00 H ATOM 620 N LYS A 41 -0.895 -28.455 -16.943 1.00 15.68 N ATOM 621 CA LYS A 41 -0.745 -27.856 -18.272 1.00 13.98 C ATOM 622 C LYS A 41 -1.424 -26.514 -18.411 1.00 15.44 C ATOM 623 O LYS A 41 -0.800 -25.574 -18.900 1.00 14.67 O ATOM 624 CB LYS A 41 -1.247 -28.797 -19.366 1.00 17.27 C ATOM 625 CG LYS A 41 -0.791 -28.376 -20.755 1.00 21.05 C ATOM 626 CD LYS A 41 0.691 -28.642 -20.909 1.00 22.02 C ATOM 627 CE LYS A 41 1.293 -27.821 -21.991 1.00 24.71 C ATOM 628 NZ LYS A 41 2.653 -28.340 -22.291 1.00 23.11 N ATOM 629 HA LYS A 41 0.326 -27.690 -18.392 1.00 0.00 H ATOM 630 HB2 LYS A 41 -0.871 -29.800 -19.164 1.00 0.00 H ATOM 631 HB3 LYS A 41 -2.337 -28.808 -19.344 1.00 0.00 H ATOM 632 HG2 LYS A 41 -1.341 -28.944 -21.505 1.00 0.00 H ATOM 633 HG3 LYS A 41 -0.985 -27.312 -20.893 1.00 0.00 H ATOM 634 HD2 LYS A 41 1.191 -28.408 -19.969 1.00 0.00 H ATOM 635 HD3 LYS A 41 0.837 -29.696 -21.144 1.00 0.00 H ATOM 636 HE2 LYS A 41 1.361 -26.782 -21.668 1.00 0.00 H ATOM 637 HE3 LYS A 41 0.673 -27.882 -22.885 1.00 0.00 H ATOM 638 HZ1 LYS A 41 3.242 -28.281 -21.436 1.00 0.00 H ATOM 639 HZ2 LYS A 41 2.584 -29.331 -22.598 1.00 0.00 H ATOM 640 HZ3 LYS A 41 3.081 -27.770 -23.048 1.00 0.00 H ATOM 641 H LYS A 41 -1.305 -29.408 -16.874 1.00 0.00 H ATOM 642 N LYS A 42 -2.703 -26.413 -17.998 1.00 12.84 N ATOM 643 CA LYS A 42 -3.378 -25.126 -18.138 1.00 12.65 C ATOM 644 C LYS A 42 -2.800 -24.049 -17.272 1.00 14.62 C ATOM 645 O LYS A 42 -2.735 -22.893 -17.699 1.00 14.43 O ATOM 646 CB LYS A 42 -4.892 -25.248 -18.034 1.00 15.42 C ATOM 647 CG LYS A 42 -5.442 -25.896 -19.303 1.00 22.06 C ATOM 648 CD LYS A 42 -6.936 -25.976 -19.303 1.00 28.30 C ATOM 649 CE LYS A 42 -7.408 -26.682 -20.541 1.00 25.31 C ATOM 650 NZ LYS A 42 -7.160 -28.160 -20.480 1.00 33.96 N ATOM 651 HA LYS A 42 -3.177 -24.793 -19.156 1.00 0.00 H ATOM 652 HB2 LYS A 42 -5.148 -25.863 -17.172 1.00 0.00 H ATOM 653 HB3 LYS A 42 -5.329 -24.257 -17.914 1.00 0.00 H ATOM 654 HG2 LYS A 42 -5.123 -25.307 -20.163 1.00 0.00 H ATOM 655 HG3 LYS A 42 -5.037 -26.905 -19.385 1.00 0.00 H ATOM 656 HD2 LYS A 42 -7.269 -26.526 -18.423 1.00 0.00 H ATOM 657 HD3 LYS A 42 -7.353 -24.969 -19.279 1.00 0.00 H ATOM 658 HE2 LYS A 42 -6.880 -26.272 -21.402 1.00 0.00 H ATOM 659 HE3 LYS A 42 -8.478 -26.510 -20.657 1.00 0.00 H ATOM 660 HZ1 LYS A 42 -6.140 -28.335 -20.377 1.00 0.00 H ATOM 661 HZ2 LYS A 42 -7.666 -28.562 -19.665 1.00 0.00 H ATOM 662 HZ3 LYS A 42 -7.502 -28.604 -21.356 1.00 0.00 H ATOM 663 H LYS A 42 -3.197 -27.232 -17.590 1.00 0.00 H ATOM 664 N VAL A 43 -2.332 -24.417 -16.066 1.00 12.65 N ATOM 665 CA VAL A 43 -1.656 -23.474 -15.183 1.00 11.99 C ATOM 666 C VAL A 43 -0.355 -23.005 -15.889 1.00 13.93 C ATOM 667 O VAL A 43 -0.055 -21.808 -15.911 1.00 12.45 O ATOM 668 CB VAL A 43 -1.368 -24.118 -13.801 1.00 14.96 C ATOM 669 CG1 VAL A 43 -0.375 -23.279 -12.991 1.00 14.91 C ATOM 670 CG2 VAL A 43 -2.659 -24.313 -13.014 1.00 14.75 C ATOM 671 HA VAL A 43 -2.292 -22.610 -14.990 1.00 0.00 H ATOM 672 HB VAL A 43 -0.919 -25.095 -13.982 1.00 0.00 H ATOM 673 HG11 VAL A 43 0.564 -23.200 -13.539 1.00 0.00 H ATOM 674 HG12 VAL A 43 -0.789 -22.283 -12.830 1.00 0.00 H ATOM 675 HG13 VAL A 43 -0.196 -23.759 -12.029 1.00 0.00 H ATOM 676 HG21 VAL A 43 -3.138 -23.346 -12.859 1.00 0.00 H ATOM 677 HG22 VAL A 43 -3.329 -24.966 -13.573 1.00 0.00 H ATOM 678 HG23 VAL A 43 -2.430 -24.766 -12.049 1.00 0.00 H ATOM 679 H VAL A 43 -2.456 -25.402 -15.755 1.00 0.00 H ATOM 680 N GLN A 44 0.387 -23.940 -16.498 1.00 11.78 N ATOM 681 CA GLN A 44 1.615 -23.583 -17.228 1.00 11.06 C ATOM 682 C GLN A 44 1.332 -22.593 -18.361 1.00 15.07 C ATOM 683 O GLN A 44 1.996 -21.543 -18.444 1.00 14.22 O ATOM 684 CB GLN A 44 2.277 -24.838 -17.789 1.00 11.83 C ATOM 685 CG GLN A 44 2.939 -25.674 -16.701 1.00 16.13 C ATOM 686 CD GLN A 44 3.355 -27.018 -17.233 1.00 21.28 C ATOM 687 OE1 GLN A 44 3.190 -27.326 -18.420 1.00 18.65 O ATOM 688 NE2 GLN A 44 3.935 -27.837 -16.365 1.00 19.39 N ATOM 689 HA GLN A 44 2.290 -23.100 -16.522 1.00 0.00 H ATOM 690 HB2 GLN A 44 1.519 -25.444 -18.285 1.00 0.00 H ATOM 691 HB3 GLN A 44 3.035 -24.541 -18.514 1.00 0.00 H ATOM 692 HG2 GLN A 44 3.820 -25.148 -16.333 1.00 0.00 H ATOM 693 HG3 GLN A 44 2.234 -25.817 -15.882 1.00 0.00 H ATOM 694 HE22 GLN A 44 4.057 -27.544 -15.375 1.00 0.00 H ATOM 695 HE21 GLN A 44 4.268 -28.772 -16.675 1.00 0.00 H ATOM 696 H GLN A 44 0.090 -24.936 -16.454 1.00 0.00 H ATOM 697 N LEU A 45 0.300 -22.895 -19.194 1.00 11.97 N ATOM 698 CA LEU A 45 -0.080 -22.016 -20.306 1.00 11.29 C ATOM 699 C LEU A 45 -0.542 -20.659 -19.807 1.00 13.82 C ATOM 700 O LEU A 45 -0.177 -19.651 -20.393 1.00 13.95 O ATOM 701 CB LEU A 45 -1.160 -22.667 -21.169 1.00 11.91 C ATOM 702 CG LEU A 45 -0.745 -23.935 -21.897 1.00 16.81 C ATOM 703 CD1 LEU A 45 -1.957 -24.581 -22.529 1.00 16.76 C ATOM 704 CD2 LEU A 45 0.340 -23.653 -22.936 1.00 18.95 C ATOM 705 HA LEU A 45 0.807 -21.862 -20.921 1.00 0.00 H ATOM 706 HB2 LEU A 45 -2.003 -22.912 -20.523 1.00 0.00 H ATOM 707 HB3 LEU A 45 -1.476 -21.939 -21.916 1.00 0.00 H ATOM 708 HG LEU A 45 -0.318 -24.628 -21.172 1.00 0.00 H ATOM 709 HD21 LEU A 45 -0.037 -22.941 -23.669 1.00 0.00 H ATOM 710 HD22 LEU A 45 1.216 -23.236 -22.440 1.00 0.00 H ATOM 711 HD23 LEU A 45 0.612 -24.582 -23.437 1.00 0.00 H ATOM 712 HD11 LEU A 45 -2.681 -24.830 -21.753 1.00 0.00 H ATOM 713 HD12 LEU A 45 -2.408 -23.888 -23.239 1.00 0.00 H ATOM 714 HD13 LEU A 45 -1.653 -25.489 -23.049 1.00 0.00 H ATOM 715 H LEU A 45 -0.235 -23.773 -19.039 1.00 0.00 H ATOM 716 N TYR A 46 -1.349 -20.618 -18.731 1.00 11.00 N ATOM 717 CA TYR A 46 -1.837 -19.353 -18.167 1.00 10.76 C ATOM 718 C TYR A 46 -0.659 -18.506 -17.643 1.00 13.94 C ATOM 719 O TYR A 46 -0.572 -17.302 -17.935 1.00 13.47 O ATOM 720 CB TYR A 46 -2.816 -19.691 -17.029 1.00 12.26 C ATOM 721 CG TYR A 46 -3.473 -18.504 -16.362 1.00 12.98 C ATOM 722 CD1 TYR A 46 -4.439 -17.751 -17.024 1.00 13.60 C ATOM 723 CD2 TYR A 46 -3.245 -18.235 -15.015 1.00 15.10 C ATOM 724 CE1 TYR A 46 -5.096 -16.694 -16.389 1.00 12.59 C ATOM 725 CE2 TYR A 46 -3.911 -17.198 -14.364 1.00 16.11 C ATOM 726 CZ TYR A 46 -4.840 -16.437 -15.050 1.00 20.12 C ATOM 727 OH TYR A 46 -5.464 -15.410 -14.384 1.00 22.30 O ATOM 728 HA TYR A 46 -2.344 -18.767 -18.933 1.00 0.00 H ATOM 729 HB3 TYR A 46 -2.267 -20.244 -16.267 1.00 0.00 H ATOM 730 HB2 TYR A 46 -3.603 -20.324 -17.439 1.00 0.00 H ATOM 731 HD2 TYR A 46 -2.533 -18.846 -14.460 1.00 0.00 H ATOM 732 HE2 TYR A 46 -3.700 -16.987 -13.316 1.00 0.00 H ATOM 733 HE1 TYR A 46 -5.804 -16.076 -16.941 1.00 0.00 H ATOM 734 HD1 TYR A 46 -4.688 -17.991 -18.058 1.00 0.00 H ATOM 735 HH TYR A 46 -6.097 -14.958 -14.996 1.00 0.00 H ATOM 736 H TYR A 46 -1.637 -21.512 -18.284 1.00 0.00 H ATOM 737 N CYS A 47 0.264 -19.138 -16.884 1.00 11.93 N ATOM 738 CA CYS A 47 1.453 -18.466 -16.354 1.00 11.51 C ATOM 739 C CYS A 47 2.321 -17.905 -17.492 1.00 13.71 C ATOM 740 O CYS A 47 2.792 -16.763 -17.405 1.00 14.32 O ATOM 741 CB CYS A 47 2.252 -19.431 -15.490 1.00 11.39 C ATOM 742 SG CYS A 47 1.484 -19.777 -13.889 1.00 14.92 S ATOM 743 HA CYS A 47 1.132 -17.626 -15.738 1.00 0.00 H ATOM 744 HB2 CYS A 47 3.238 -19.001 -15.314 1.00 0.00 H ATOM 745 HB3 CYS A 47 2.359 -20.371 -16.031 1.00 0.00 H ATOM 746 HG CYS A 47 0.239 -20.337 -14.089 1.00 0.00 H ATOM 747 H CYS A 47 0.124 -20.145 -16.667 1.00 0.00 H ATOM 748 N GLU A 48 2.529 -18.703 -18.546 1.00 12.25 N ATOM 749 CA GLU A 48 3.311 -18.256 -19.700 1.00 12.15 C ATOM 750 C GLU A 48 2.683 -17.040 -20.348 1.00 15.46 C ATOM 751 O GLU A 48 3.383 -16.067 -20.641 1.00 15.70 O ATOM 752 CB GLU A 48 3.424 -19.366 -20.725 1.00 13.63 C ATOM 753 CG GLU A 48 4.346 -18.964 -21.858 1.00 19.26 C ATOM 754 CD GLU A 48 4.321 -19.946 -22.996 1.00 32.06 C ATOM 755 OE1 GLU A 48 3.228 -20.186 -23.558 1.00 29.88 O ATOM 756 OE2 GLU A 48 5.395 -20.511 -23.292 1.00 30.68 O ATOM 757 HA GLU A 48 4.305 -17.989 -19.341 1.00 0.00 H ATOM 758 HB2 GLU A 48 3.820 -20.259 -20.242 1.00 0.00 H ATOM 759 HB3 GLU A 48 2.435 -19.581 -21.129 1.00 0.00 H ATOM 760 HG2 GLU A 48 4.037 -17.988 -22.231 1.00 0.00 H ATOM 761 HG3 GLU A 48 5.364 -18.899 -21.474 1.00 0.00 H ATOM 762 H GLU A 48 2.126 -19.662 -18.545 1.00 0.00 H ATOM 763 N CYS A 49 1.361 -17.098 -20.562 1.00 12.55 N ATOM 764 CA CYS A 49 0.616 -16.015 -21.187 1.00 13.70 C ATOM 765 C CYS A 49 0.762 -14.732 -20.373 1.00 15.19 C ATOM 766 O CYS A 49 1.031 -13.661 -20.931 1.00 14.98 O ATOM 767 CB CYS A 49 -0.846 -16.433 -21.351 1.00 15.45 C ATOM 768 SG CYS A 49 -1.923 -15.172 -22.080 1.00 21.27 S ATOM 769 HA CYS A 49 1.020 -15.810 -22.178 1.00 0.00 H ATOM 770 HB2 CYS A 49 -1.239 -16.686 -20.366 1.00 0.00 H ATOM 771 HB3 CYS A 49 -0.876 -17.315 -21.990 1.00 0.00 H ATOM 772 H CYS A 49 0.846 -17.953 -20.269 1.00 0.00 H ATOM 773 N ILE A 50 0.576 -14.810 -19.046 1.00 11.54 N ATOM 774 CA ILE A 50 0.675 -13.615 -18.199 1.00 11.79 C ATOM 775 C ILE A 50 2.105 -13.064 -18.231 1.00 14.02 C ATOM 776 O ILE A 50 2.295 -11.854 -18.410 1.00 14.50 O ATOM 777 CB ILE A 50 0.207 -13.932 -16.757 1.00 15.31 C ATOM 778 CG1 ILE A 50 -1.332 -14.162 -16.749 1.00 16.58 C ATOM 779 CG2 ILE A 50 0.605 -12.799 -15.775 1.00 17.23 C ATOM 780 CD1 ILE A 50 -1.873 -14.639 -15.467 1.00 23.90 C ATOM 781 HA ILE A 50 0.014 -12.841 -18.590 1.00 0.00 H ATOM 782 HB ILE A 50 0.704 -14.841 -16.419 1.00 0.00 H ATOM 783 HG12 ILE A 50 -1.818 -13.218 -16.993 1.00 0.00 H ATOM 784 HG13 ILE A 50 -1.570 -14.901 -17.515 1.00 0.00 H ATOM 785 HD11 ILE A 50 -1.409 -15.591 -15.210 1.00 0.00 H ATOM 786 HD12 ILE A 50 -1.658 -13.907 -14.689 1.00 0.00 H ATOM 787 HD13 ILE A 50 -2.951 -14.771 -15.556 1.00 0.00 H ATOM 788 HG21 ILE A 50 1.689 -12.687 -15.772 1.00 0.00 H ATOM 789 HG22 ILE A 50 0.142 -11.865 -16.093 1.00 0.00 H ATOM 790 HG23 ILE A 50 0.262 -13.052 -14.772 1.00 0.00 H ATOM 791 H ILE A 50 0.359 -15.730 -18.612 1.00 0.00 H ATOM 792 N LEU A 51 3.107 -13.931 -18.053 1.00 11.68 N ATOM 793 CA LEU A 51 4.490 -13.430 -18.056 1.00 11.55 C ATOM 794 C LEU A 51 4.918 -12.823 -19.381 1.00 15.34 C ATOM 795 O LEU A 51 5.576 -11.780 -19.392 1.00 15.69 O ATOM 796 CB LEU A 51 5.499 -14.486 -17.599 1.00 11.00 C ATOM 797 CG LEU A 51 5.323 -15.036 -16.184 1.00 14.79 C ATOM 798 CD1 LEU A 51 6.317 -16.167 -15.940 1.00 15.36 C ATOM 799 CD2 LEU A 51 5.504 -13.943 -15.125 1.00 19.27 C ATOM 800 HA LEU A 51 4.489 -12.622 -17.324 1.00 0.00 H ATOM 801 HB2 LEU A 51 5.435 -15.326 -18.291 1.00 0.00 H ATOM 802 HB3 LEU A 51 6.493 -14.042 -17.660 1.00 0.00 H ATOM 803 HG LEU A 51 4.305 -15.417 -16.098 1.00 0.00 H ATOM 804 HD21 LEU A 51 6.506 -13.521 -15.208 1.00 0.00 H ATOM 805 HD22 LEU A 51 4.764 -13.159 -15.284 1.00 0.00 H ATOM 806 HD23 LEU A 51 5.371 -14.375 -14.133 1.00 0.00 H ATOM 807 HD11 LEU A 51 6.142 -16.965 -16.661 1.00 0.00 H ATOM 808 HD12 LEU A 51 7.332 -15.788 -16.056 1.00 0.00 H ATOM 809 HD13 LEU A 51 6.185 -16.553 -14.929 1.00 0.00 H ATOM 810 H LEU A 51 2.912 -14.943 -17.915 1.00 0.00 H ATOM 811 N LYS A 52 4.518 -13.442 -20.501 1.00 12.92 N ATOM 812 CA LYS A 52 4.849 -12.888 -21.814 1.00 12.67 C ATOM 813 C LYS A 52 4.184 -11.552 -22.042 1.00 17.54 C ATOM 814 O LYS A 52 4.832 -10.620 -22.534 1.00 16.99 O ATOM 815 CB LYS A 52 4.519 -13.878 -22.924 1.00 14.93 C ATOM 816 CG LYS A 52 5.515 -15.031 -22.976 1.00 22.62 C ATOM 817 CD LYS A 52 5.280 -15.958 -24.148 1.00 28.06 C ATOM 818 CE LYS A 52 6.459 -16.886 -24.315 1.00 38.75 C ATOM 819 NZ LYS A 52 6.249 -17.855 -25.419 1.00 51.63 N ATOM 820 HA LYS A 52 5.925 -12.713 -21.836 1.00 0.00 H ATOM 821 HB2 LYS A 52 3.522 -14.282 -22.751 1.00 0.00 H ATOM 822 HB3 LYS A 52 4.536 -13.354 -23.880 1.00 0.00 H ATOM 823 HG2 LYS A 52 6.521 -14.619 -23.054 1.00 0.00 H ATOM 824 HG3 LYS A 52 5.430 -15.607 -22.054 1.00 0.00 H ATOM 825 HD2 LYS A 52 4.380 -16.546 -23.969 1.00 0.00 H ATOM 826 HD3 LYS A 52 5.153 -15.368 -25.056 1.00 0.00 H ATOM 827 HE2 LYS A 52 6.609 -17.437 -23.386 1.00 0.00 H ATOM 828 HE3 LYS A 52 7.347 -16.292 -24.531 1.00 0.00 H ATOM 829 HZ1 LYS A 52 5.407 -18.431 -25.218 1.00 0.00 H ATOM 830 HZ2 LYS A 52 6.112 -17.338 -26.311 1.00 0.00 H ATOM 831 HZ3 LYS A 52 7.082 -18.473 -25.499 1.00 0.00 H ATOM 832 H LYS A 52 3.968 -14.322 -20.436 1.00 0.00 H ATOM 833 N ASN A 53 2.909 -11.430 -21.639 1.00 14.77 N ATOM 834 CA ASN A 53 2.172 -10.183 -21.820 1.00 14.35 C ATOM 835 C ASN A 53 2.722 -9.025 -21.014 1.00 17.08 C ATOM 836 O ASN A 53 2.575 -7.875 -21.435 1.00 16.56 O ATOM 837 CB ASN A 53 0.687 -10.406 -21.587 1.00 16.84 C ATOM 838 CG ASN A 53 0.016 -11.215 -22.680 1.00 22.46 C ATOM 839 OD1 ASN A 53 0.637 -11.633 -23.672 1.00 19.92 O ATOM 840 ND2 ASN A 53 -1.270 -11.457 -22.520 1.00 19.81 N ATOM 841 HA ASN A 53 2.312 -9.880 -22.858 1.00 0.00 H ATOM 842 HB2 ASN A 53 0.562 -10.933 -20.641 1.00 0.00 H ATOM 843 HB3 ASN A 53 0.197 -9.434 -21.527 1.00 0.00 H ATOM 844 HD22 ASN A 53 -1.767 -11.096 -21.681 1.00 0.00 H ATOM 845 HD21 ASN A 53 -1.788 -12.009 -23.233 1.00 0.00 H ATOM 846 H ASN A 53 2.437 -12.240 -21.189 1.00 0.00 H ATOM 847 N PHE A 54 3.430 -9.331 -19.903 1.00 14.23 N ATOM 848 CA PHE A 54 4.081 -8.325 -19.062 1.00 13.83 C ATOM 849 C PHE A 54 5.554 -8.141 -19.429 1.00 17.72 C ATOM 850 O PHE A 54 6.267 -7.415 -18.736 1.00 18.89 O ATOM 851 CB PHE A 54 3.935 -8.682 -17.582 1.00 15.24 C ATOM 852 CG PHE A 54 2.659 -8.186 -16.959 1.00 15.97 C ATOM 853 CD1 PHE A 54 2.548 -6.875 -16.513 1.00 18.10 C ATOM 854 CD2 PHE A 54 1.574 -9.040 -16.787 1.00 17.88 C ATOM 855 CE1 PHE A 54 1.375 -6.425 -15.904 1.00 19.63 C ATOM 856 CE2 PHE A 54 0.407 -8.593 -16.166 1.00 21.11 C ATOM 857 CZ PHE A 54 0.318 -7.287 -15.731 1.00 19.50 C ATOM 858 HA PHE A 54 3.579 -7.375 -19.244 1.00 0.00 H ATOM 859 HB2 PHE A 54 3.965 -9.767 -17.486 1.00 0.00 H ATOM 860 HB3 PHE A 54 4.774 -8.247 -17.039 1.00 0.00 H ATOM 861 HD2 PHE A 54 1.636 -10.069 -17.141 1.00 0.00 H ATOM 862 HE2 PHE A 54 -0.432 -9.274 -16.025 1.00 0.00 H ATOM 863 HZ PHE A 54 -0.594 -6.937 -15.248 1.00 0.00 H ATOM 864 HE1 PHE A 54 1.297 -5.392 -15.566 1.00 0.00 H ATOM 865 HD1 PHE A 54 3.386 -6.190 -16.640 1.00 0.00 H ATOM 866 H PHE A 54 3.516 -10.331 -19.632 1.00 0.00 H ATOM 867 N ASN A 55 6.008 -8.781 -20.527 1.00 13.96 N ATOM 868 CA ASN A 55 7.396 -8.681 -20.998 1.00 14.13 C ATOM 869 C ASN A 55 8.397 -9.227 -19.967 1.00 18.68 C ATOM 870 O ASN A 55 9.521 -8.723 -19.852 1.00 19.06 O ATOM 871 CB ASN A 55 7.724 -7.227 -21.400 1.00 15.60 C ATOM 872 CG ASN A 55 8.841 -7.116 -22.398 1.00 26.63 C ATOM 873 OD1 ASN A 55 9.079 -8.026 -23.194 1.00 18.91 O ATOM 874 ND2 ASN A 55 9.508 -5.971 -22.420 1.00 21.80 N ATOM 875 HA ASN A 55 7.494 -9.309 -21.883 1.00 0.00 H ATOM 876 HB2 ASN A 55 6.829 -6.779 -21.832 1.00 0.00 H ATOM 877 HB3 ASN A 55 8.007 -6.677 -20.503 1.00 0.00 H ATOM 878 HD22 ASN A 55 9.281 -5.224 -21.733 1.00 0.00 H ATOM 879 HD21 ASN A 55 10.258 -5.820 -23.124 1.00 0.00 H ATOM 880 H ASN A 55 5.344 -9.373 -21.065 1.00 0.00 H ATOM 881 N ILE A 56 7.993 -10.284 -19.235 1.00 14.63 N ATOM 882 CA ILE A 56 8.832 -10.936 -18.222 1.00 14.57 C ATOM 883 C ILE A 56 9.519 -12.153 -18.819 1.00 19.09 C ATOM 884 O ILE A 56 10.571 -12.578 -18.333 1.00 18.78 O ATOM 885 CB ILE A 56 8.027 -11.212 -16.931 1.00 17.44 C ATOM 886 CG1 ILE A 56 7.614 -9.865 -16.306 1.00 18.50 C ATOM 887 CG2 ILE A 56 8.819 -12.070 -15.911 1.00 17.85 C ATOM 888 CD1 ILE A 56 6.517 -9.942 -15.443 1.00 27.38 C ATOM 889 HA ILE A 56 9.634 -10.266 -17.911 1.00 0.00 H ATOM 890 HB ILE A 56 7.142 -11.790 -17.196 1.00 0.00 H ATOM 891 HG12 ILE A 56 8.463 -9.474 -15.745 1.00 0.00 H ATOM 892 HG13 ILE A 56 7.366 -9.176 -17.113 1.00 0.00 H ATOM 893 HD11 ILE A 56 5.652 -10.319 -15.989 1.00 0.00 H ATOM 894 HD12 ILE A 56 6.751 -10.617 -14.620 1.00 0.00 H ATOM 895 HD13 ILE A 56 6.296 -8.950 -15.049 1.00 0.00 H ATOM 896 HG21 ILE A 56 9.070 -13.030 -16.363 1.00 0.00 H ATOM 897 HG22 ILE A 56 9.734 -11.548 -15.632 1.00 0.00 H ATOM 898 HG23 ILE A 56 8.208 -12.234 -15.024 1.00 0.00 H ATOM 899 H ILE A 56 7.036 -10.658 -19.396 1.00 0.00 H ATOM 900 N LEU A 57 8.944 -12.688 -19.900 1.00 18.23 N ATOM 901 CA LEU A 57 9.532 -13.790 -20.648 1.00 18.45 C ATOM 902 C LEU A 57 9.628 -13.331 -22.070 1.00 25.38 C ATOM 903 O LEU A 57 8.657 -12.790 -22.611 1.00 24.65 O ATOM 904 CB LEU A 57 8.690 -15.074 -20.597 1.00 18.43 C ATOM 905 CG LEU A 57 8.724 -15.899 -19.330 1.00 22.90 C ATOM 906 CD1 LEU A 57 7.825 -17.122 -19.468 1.00 23.66 C ATOM 907 CD2 LEU A 57 10.137 -16.365 -19.013 1.00 24.67 C ATOM 908 HA LEU A 57 10.499 -14.038 -20.210 1.00 0.00 H ATOM 909 HB2 LEU A 57 7.652 -14.788 -20.769 1.00 0.00 H ATOM 910 HB3 LEU A 57 9.029 -15.716 -21.410 1.00 0.00 H ATOM 911 HG LEU A 57 8.367 -15.264 -18.519 1.00 0.00 H ATOM 912 HD21 LEU A 57 10.510 -16.975 -19.836 1.00 0.00 H ATOM 913 HD22 LEU A 57 10.783 -15.497 -18.880 1.00 0.00 H ATOM 914 HD23 LEU A 57 10.127 -16.955 -18.097 1.00 0.00 H ATOM 915 HD11 LEU A 57 6.801 -16.799 -19.655 1.00 0.00 H ATOM 916 HD12 LEU A 57 8.172 -17.734 -20.300 1.00 0.00 H ATOM 917 HD13 LEU A 57 7.862 -17.704 -18.547 1.00 0.00 H ATOM 918 H LEU A 57 8.035 -12.299 -20.222 1.00 0.00 H ATOM 919 N ASP A 58 10.790 -13.542 -22.687 1.00 25.01 N ATOM 920 CA ASP A 58 10.919 -13.162 -24.079 1.00 26.84 C ATOM 921 C ASP A 58 10.440 -14.311 -24.961 1.00 33.85 C ATOM 922 O ASP A 58 10.083 -15.376 -24.445 1.00 32.35 O ATOM 923 CB ASP A 58 12.349 -12.685 -24.412 1.00 29.20 C ATOM 924 CG ASP A 58 13.466 -13.713 -24.410 1.00 38.74 C ATOM 925 OD1 ASP A 58 13.170 -14.924 -24.285 1.00 37.78 O ATOM 926 OD2 ASP A 58 14.641 -13.309 -24.554 1.00 46.54 O ATOM 927 HA ASP A 58 10.282 -12.302 -24.282 1.00 0.00 H ATOM 928 HB2 ASP A 58 12.319 -12.242 -25.407 1.00 0.00 H ATOM 929 HB3 ASP A 58 12.613 -11.919 -23.683 1.00 0.00 H ATOM 930 H ASP A 58 11.589 -13.971 -22.179 1.00 0.00 H ATOM 931 N LYS A 59 10.457 -14.102 -26.289 1.00 33.49 N ATOM 932 CA LYS A 59 10.033 -15.077 -27.302 1.00 34.66 C ATOM 933 C LYS A 59 10.753 -16.419 -27.131 1.00 39.86 C ATOM 934 O LYS A 59 10.214 -17.467 -27.496 1.00 40.04 O ATOM 935 CB LYS A 59 10.254 -14.501 -28.718 1.00 38.04 C ATOM 936 CG LYS A 59 9.974 -13.002 -28.780 1.00 56.57 C ATOM 937 CD LYS A 59 9.454 -12.492 -30.098 1.00 68.70 C ATOM 938 CE LYS A 59 8.703 -11.201 -29.876 1.00 81.67 C ATOM 939 NZ LYS A 59 7.367 -11.223 -30.527 1.00 91.12 N ATOM 940 HA LYS A 59 8.968 -15.267 -27.166 1.00 0.00 H ATOM 941 HB2 LYS A 59 11.289 -14.678 -29.012 1.00 0.00 H ATOM 942 HB3 LYS A 59 9.588 -15.012 -29.413 1.00 0.00 H ATOM 943 HG2 LYS A 59 9.235 -12.766 -28.014 1.00 0.00 H ATOM 944 HG3 LYS A 59 10.904 -12.477 -28.560 1.00 0.00 H ATOM 945 HD2 LYS A 59 10.290 -12.315 -30.775 1.00 0.00 H ATOM 946 HD3 LYS A 59 8.784 -13.232 -30.536 1.00 0.00 H ATOM 947 HE2 LYS A 59 9.285 -10.378 -30.291 1.00 0.00 H ATOM 948 HE3 LYS A 59 8.572 -11.048 -28.805 1.00 0.00 H ATOM 949 HZ1 LYS A 59 7.484 -11.362 -31.551 1.00 0.00 H ATOM 950 HZ2 LYS A 59 6.803 -12.002 -30.132 1.00 0.00 H ATOM 951 HZ3 LYS A 59 6.882 -10.320 -30.352 1.00 0.00 H ATOM 952 H LYS A 59 10.797 -13.178 -26.625 1.00 0.00 H ATOM 953 N ASN A 60 11.945 -16.383 -26.509 1.00 37.08 N ATOM 954 CA ASN A 60 12.764 -17.556 -26.235 1.00 37.27 C ATOM 955 C ASN A 60 12.688 -18.060 -24.798 1.00 40.64 C ATOM 956 O ASN A 60 13.531 -18.861 -24.377 1.00 41.13 O ATOM 957 CB ASN A 60 14.194 -17.302 -26.667 1.00 40.81 C ATOM 958 CG ASN A 60 14.397 -17.747 -28.084 1.00 68.68 C ATOM 959 OD1 ASN A 60 14.129 -18.904 -28.442 1.00 65.12 O ATOM 960 ND2 ASN A 60 14.799 -16.823 -28.936 1.00 61.84 N ATOM 961 HA ASN A 60 12.345 -18.368 -26.828 1.00 0.00 H ATOM 962 HB2 ASN A 60 14.409 -16.236 -26.590 1.00 0.00 H ATOM 963 HB3 ASN A 60 14.870 -17.856 -26.016 1.00 0.00 H ATOM 964 HD22 ASN A 60 15.015 -15.863 -28.599 1.00 0.00 H ATOM 965 HD21 ASN A 60 14.900 -17.055 -29.945 1.00 0.00 H ATOM 966 H ASN A 60 12.306 -15.457 -26.204 1.00 0.00 H ATOM 967 N ASN A 61 11.653 -17.609 -24.057 1.00 35.15 N ATOM 968 CA ASN A 61 11.380 -17.974 -22.666 1.00 34.14 C ATOM 969 C ASN A 61 12.502 -17.716 -21.678 1.00 34.77 C ATOM 970 O ASN A 61 12.642 -18.428 -20.684 1.00 34.46 O ATOM 971 CB ASN A 61 10.766 -19.365 -22.542 1.00 38.36 C ATOM 972 CG ASN A 61 9.324 -19.361 -22.959 1.00 66.61 C ATOM 973 OD1 ASN A 61 8.990 -19.136 -24.129 1.00 62.20 O ATOM 974 ND2 ASN A 61 8.434 -19.545 -21.998 1.00 58.91 N ATOM 975 HA ASN A 61 10.620 -17.259 -22.350 1.00 0.00 H ATOM 976 HB2 ASN A 61 11.319 -20.056 -23.179 1.00 0.00 H ATOM 977 HB3 ASN A 61 10.836 -19.694 -21.505 1.00 0.00 H ATOM 978 HD22 ASN A 61 8.750 -19.732 -21.025 1.00 0.00 H ATOM 979 HD21 ASN A 61 7.418 -19.503 -22.215 1.00 0.00 H ATOM 980 H ASN A 61 10.994 -16.946 -24.513 1.00 0.00 H ATOM 981 N VAL A 62 13.272 -16.662 -21.944 1.00 28.80 N ATOM 982 CA VAL A 62 14.328 -16.222 -21.056 1.00 27.58 C ATOM 983 C VAL A 62 13.670 -15.209 -20.143 1.00 26.68 C ATOM 984 O VAL A 62 12.939 -14.334 -20.613 1.00 25.01 O ATOM 985 CB VAL A 62 15.546 -15.623 -21.809 1.00 32.33 C ATOM 986 CG1 VAL A 62 16.619 -15.130 -20.833 1.00 31.93 C ATOM 987 CG2 VAL A 62 16.134 -16.636 -22.790 1.00 32.31 C ATOM 988 HA VAL A 62 14.751 -17.061 -20.503 1.00 0.00 H ATOM 989 HB VAL A 62 15.191 -14.763 -22.377 1.00 0.00 H ATOM 990 HG11 VAL A 62 16.196 -14.359 -20.189 1.00 0.00 H ATOM 991 HG12 VAL A 62 16.965 -15.965 -20.223 1.00 0.00 H ATOM 992 HG13 VAL A 62 17.457 -14.717 -21.395 1.00 0.00 H ATOM 993 HG21 VAL A 62 16.460 -17.521 -22.244 1.00 0.00 H ATOM 994 HG22 VAL A 62 15.374 -16.917 -23.519 1.00 0.00 H ATOM 995 HG23 VAL A 62 16.986 -16.190 -23.304 1.00 0.00 H ATOM 996 H VAL A 62 13.108 -16.134 -22.825 1.00 0.00 H ATOM 997 N PHE A 63 13.938 -15.329 -18.844 1.00 21.84 N ATOM 998 CA PHE A 63 13.444 -14.420 -17.829 1.00 21.14 C ATOM 999 C PHE A 63 14.082 -13.044 -18.041 1.00 25.42 C ATOM 1000 O PHE A 63 15.303 -12.946 -18.204 1.00 26.11 O ATOM 1001 CB PHE A 63 13.786 -14.995 -16.449 1.00 22.67 C ATOM 1002 CG PHE A 63 13.498 -14.111 -15.269 1.00 24.82 C ATOM 1003 CD1 PHE A 63 12.194 -13.743 -14.957 1.00 28.18 C ATOM 1004 CD2 PHE A 63 14.524 -13.690 -14.433 1.00 27.30 C ATOM 1005 CE1 PHE A 63 11.926 -12.941 -13.846 1.00 29.58 C ATOM 1006 CE2 PHE A 63 14.258 -12.875 -13.334 1.00 30.69 C ATOM 1007 CZ PHE A 63 12.961 -12.520 -13.036 1.00 29.00 C ATOM 1008 HA PHE A 63 12.362 -14.306 -17.896 1.00 0.00 H ATOM 1009 HB2 PHE A 63 13.216 -15.915 -16.322 1.00 0.00 H ATOM 1010 HB3 PHE A 63 14.851 -15.225 -16.440 1.00 0.00 H ATOM 1011 HD2 PHE A 63 15.548 -14.000 -14.639 1.00 0.00 H ATOM 1012 HE2 PHE A 63 15.077 -12.518 -12.710 1.00 0.00 H ATOM 1013 HZ PHE A 63 12.752 -11.906 -12.160 1.00 0.00 H ATOM 1014 HE1 PHE A 63 10.901 -12.648 -13.619 1.00 0.00 H ATOM 1015 HD1 PHE A 63 11.372 -14.084 -15.586 1.00 0.00 H ATOM 1016 H PHE A 63 14.538 -16.122 -18.540 1.00 0.00 H ATOM 1017 N LYS A 64 13.245 -11.998 -18.092 1.00 21.30 N ATOM 1018 CA LYS A 64 13.664 -10.614 -18.300 1.00 21.09 C ATOM 1019 C LYS A 64 13.600 -9.851 -16.977 1.00 24.96 C ATOM 1020 O LYS A 64 12.509 -9.451 -16.543 1.00 23.69 O ATOM 1021 CB LYS A 64 12.828 -9.920 -19.397 1.00 23.75 C ATOM 1022 CG LYS A 64 12.738 -10.707 -20.701 1.00 36.41 C ATOM 1023 CD LYS A 64 13.472 -10.016 -21.838 1.00 53.22 C ATOM 1024 CE LYS A 64 12.524 -9.365 -22.820 1.00 68.94 C ATOM 1025 NZ LYS A 64 13.148 -9.217 -24.162 1.00 80.16 N ATOM 1026 HA LYS A 64 14.695 -10.616 -18.653 1.00 0.00 H ATOM 1027 HB2 LYS A 64 11.818 -9.771 -19.016 1.00 0.00 H ATOM 1028 HB3 LYS A 64 13.280 -8.952 -19.611 1.00 0.00 H ATOM 1029 HG2 LYS A 64 13.176 -11.693 -20.548 1.00 0.00 H ATOM 1030 HG3 LYS A 64 11.688 -10.816 -20.975 1.00 0.00 H ATOM 1031 HD2 LYS A 64 14.125 -9.250 -21.420 1.00 0.00 H ATOM 1032 HD3 LYS A 64 14.073 -10.755 -22.368 1.00 0.00 H ATOM 1033 HE2 LYS A 64 12.248 -8.379 -22.446 1.00 0.00 H ATOM 1034 HE3 LYS A 64 11.629 -9.981 -22.911 1.00 0.00 H ATOM 1035 HZ1 LYS A 64 14.000 -8.625 -24.084 1.00 0.00 H ATOM 1036 HZ2 LYS A 64 13.409 -10.155 -24.527 1.00 0.00 H ATOM 1037 HZ3 LYS A 64 12.470 -8.767 -24.810 1.00 0.00 H ATOM 1038 H LYS A 64 12.228 -12.184 -17.976 1.00 0.00 H ATOM 1039 N PRO A 65 14.762 -9.658 -16.308 1.00 23.30 N ATOM 1040 CA PRO A 65 14.770 -8.940 -15.022 1.00 24.13 C ATOM 1041 C PRO A 65 14.147 -7.550 -15.086 1.00 28.77 C ATOM 1042 O PRO A 65 13.568 -7.116 -14.099 1.00 29.34 O ATOM 1043 CB PRO A 65 16.264 -8.836 -14.691 1.00 25.99 C ATOM 1044 CG PRO A 65 16.881 -9.980 -15.389 1.00 29.97 C ATOM 1045 CD PRO A 65 16.125 -10.097 -16.677 1.00 25.00 C ATOM 1046 HA PRO A 65 14.173 -9.465 -14.276 1.00 0.00 H ATOM 1047 HD3 PRO A 65 16.552 -9.448 -17.442 1.00 0.00 H ATOM 1048 HD2 PRO A 65 16.121 -11.126 -17.036 1.00 0.00 H ATOM 1049 HG3 PRO A 65 16.778 -10.891 -14.799 1.00 0.00 H ATOM 1050 HG2 PRO A 65 17.937 -9.789 -15.580 1.00 0.00 H ATOM 1051 HB2 PRO A 65 16.675 -7.895 -15.057 1.00 0.00 H ATOM 1052 HB3 PRO A 65 16.426 -8.908 -13.616 1.00 0.00 H ATOM 1053 N GLN A 66 14.254 -6.850 -16.231 1.00 25.97 N ATOM 1054 CA GLN A 66 13.686 -5.506 -16.322 1.00 26.50 C ATOM 1055 C GLN A 66 12.155 -5.490 -16.316 1.00 29.23 C ATOM 1056 O GLN A 66 11.564 -4.567 -15.750 1.00 28.96 O ATOM 1057 CB GLN A 66 14.298 -4.694 -17.475 1.00 28.52 C ATOM 1058 CG GLN A 66 15.805 -4.408 -17.294 1.00 47.83 C ATOM 1059 CD GLN A 66 16.147 -3.663 -16.017 1.00 74.29 C ATOM 1060 OE1 GLN A 66 15.467 -2.711 -15.611 1.00 72.45 O ATOM 1061 NE2 GLN A 66 17.223 -4.074 -15.363 1.00 67.00 N ATOM 1062 HA GLN A 66 13.973 -4.994 -15.403 1.00 0.00 H ATOM 1063 HB2 GLN A 66 14.161 -5.252 -18.401 1.00 0.00 H ATOM 1064 HB3 GLN A 66 13.772 -3.742 -17.545 1.00 0.00 H ATOM 1065 HG2 GLN A 66 16.336 -5.360 -17.287 1.00 0.00 H ATOM 1066 HG3 GLN A 66 16.144 -3.810 -18.140 1.00 0.00 H ATOM 1067 HE22 GLN A 66 17.777 -4.876 -15.725 1.00 0.00 H ATOM 1068 HE21 GLN A 66 17.514 -3.595 -14.487 1.00 0.00 H ATOM 1069 H GLN A 66 14.741 -7.265 -17.051 1.00 0.00 H ATOM 1070 N GLY A 67 11.539 -6.522 -16.893 1.00 24.55 N ATOM 1071 CA GLY A 67 10.092 -6.683 -16.927 1.00 24.03 C ATOM 1072 C GLY A 67 9.524 -6.891 -15.539 1.00 26.36 C ATOM 1073 O GLY A 67 8.523 -6.264 -15.183 1.00 26.86 O ATOM 1074 HA3 GLY A 67 9.846 -7.547 -17.544 1.00 0.00 H ATOM 1075 HA2 GLY A 67 9.646 -5.789 -17.362 1.00 0.00 H ATOM 1076 H GLY A 67 12.125 -7.253 -17.344 1.00 0.00 H ATOM 1077 N ILE A 68 10.161 -7.778 -14.738 1.00 21.93 N ATOM 1078 CA ILE A 68 9.715 -8.060 -13.369 1.00 21.33 C ATOM 1079 C ILE A 68 9.970 -6.865 -12.437 1.00 24.75 C ATOM 1080 O ILE A 68 9.151 -6.595 -11.566 1.00 23.90 O ATOM 1081 CB ILE A 68 10.250 -9.416 -12.815 1.00 24.27 C ATOM 1082 CG1 ILE A 68 9.452 -9.902 -11.588 1.00 24.40 C ATOM 1083 CG2 ILE A 68 11.753 -9.360 -12.504 1.00 26.33 C ATOM 1084 CD1 ILE A 68 8.026 -10.292 -11.816 1.00 29.20 C ATOM 1085 HA ILE A 68 8.634 -8.193 -13.407 1.00 0.00 H ATOM 1086 HB ILE A 68 10.104 -10.147 -13.610 1.00 0.00 H ATOM 1087 HG12 ILE A 68 9.970 -10.771 -11.182 1.00 0.00 H ATOM 1088 HG13 ILE A 68 9.460 -9.099 -10.851 1.00 0.00 H ATOM 1089 HD11 ILE A 68 7.474 -9.436 -12.205 1.00 0.00 H ATOM 1090 HD12 ILE A 68 7.985 -11.110 -12.536 1.00 0.00 H ATOM 1091 HD13 ILE A 68 7.583 -10.613 -10.873 1.00 0.00 H ATOM 1092 HG21 ILE A 68 12.303 -9.124 -13.415 1.00 0.00 H ATOM 1093 HG22 ILE A 68 11.939 -8.590 -11.756 1.00 0.00 H ATOM 1094 HG23 ILE A 68 12.080 -10.327 -12.121 1.00 0.00 H ATOM 1095 H ILE A 68 10.996 -8.277 -15.106 1.00 0.00 H ATOM 1096 N LYS A 69 11.092 -6.148 -12.637 1.00 21.92 N ATOM 1097 CA LYS A 69 11.433 -4.953 -11.862 1.00 22.46 C ATOM 1098 C LYS A 69 10.345 -3.894 -12.057 1.00 26.50 C ATOM 1099 O LYS A 69 9.849 -3.364 -11.064 1.00 26.46 O ATOM 1100 CB LYS A 69 12.818 -4.413 -12.271 1.00 25.40 C ATOM 1101 CG LYS A 69 13.265 -3.183 -11.488 1.00 45.37 C ATOM 1102 CD LYS A 69 14.650 -2.728 -11.905 1.00 57.73 C ATOM 1103 CE LYS A 69 15.069 -1.489 -11.157 1.00 72.54 C ATOM 1104 NZ LYS A 69 16.425 -1.040 -11.562 1.00 83.31 N ATOM 1105 HA LYS A 69 11.485 -5.212 -10.805 1.00 0.00 H ATOM 1106 HB2 LYS A 69 13.553 -5.203 -12.116 1.00 0.00 H ATOM 1107 HB3 LYS A 69 12.785 -4.152 -13.329 1.00 0.00 H ATOM 1108 HG2 LYS A 69 12.558 -2.373 -11.667 1.00 0.00 H ATOM 1109 HG3 LYS A 69 13.277 -3.425 -10.425 1.00 0.00 H ATOM 1110 HD2 LYS A 69 15.363 -3.526 -11.698 1.00 0.00 H ATOM 1111 HD3 LYS A 69 14.647 -2.514 -12.974 1.00 0.00 H ATOM 1112 HE2 LYS A 69 15.071 -1.704 -10.088 1.00 0.00 H ATOM 1113 HE3 LYS A 69 14.355 -0.692 -11.364 1.00 0.00 H ATOM 1114 HZ1 LYS A 69 17.113 -1.794 -11.362 1.00 0.00 H ATOM 1115 HZ2 LYS A 69 16.429 -0.827 -12.580 1.00 0.00 H ATOM 1116 HZ3 LYS A 69 16.680 -0.185 -11.027 1.00 0.00 H ATOM 1117 H LYS A 69 11.750 -6.459 -13.380 1.00 0.00 H ATOM 1118 N ALA A 70 9.927 -3.640 -13.319 1.00 22.83 N ATOM 1119 CA ALA A 70 8.888 -2.658 -13.656 1.00 22.78 C ATOM 1120 C ALA A 70 7.571 -2.882 -12.900 1.00 26.19 C ATOM 1121 O ALA A 70 6.936 -1.915 -12.488 1.00 26.57 O ATOM 1122 CB ALA A 70 8.646 -2.634 -15.156 1.00 23.17 C ATOM 1123 HA ALA A 70 9.265 -1.687 -13.334 1.00 0.00 H ATOM 1124 HB1 ALA A 70 9.570 -2.363 -15.667 1.00 0.00 H ATOM 1125 HB2 ALA A 70 8.322 -3.621 -15.486 1.00 0.00 H ATOM 1126 HB3 ALA A 70 7.873 -1.901 -15.386 1.00 0.00 H ATOM 1127 H ALA A 70 10.368 -4.172 -14.096 1.00 0.00 H ATOM 1128 N VAL A 71 7.192 -4.155 -12.675 1.00 22.10 N ATOM 1129 CA VAL A 71 5.991 -4.515 -11.931 1.00 21.79 C ATOM 1130 C VAL A 71 6.256 -4.495 -10.416 1.00 24.54 C ATOM 1131 O VAL A 71 5.539 -3.816 -9.680 1.00 23.14 O ATOM 1132 CB VAL A 71 5.423 -5.891 -12.394 1.00 26.17 C ATOM 1133 CG1 VAL A 71 4.267 -6.353 -11.508 1.00 26.07 C ATOM 1134 CG2 VAL A 71 4.989 -5.845 -13.857 1.00 26.25 C ATOM 1135 HA VAL A 71 5.230 -3.765 -12.145 1.00 0.00 H ATOM 1136 HB VAL A 71 6.229 -6.618 -12.297 1.00 0.00 H ATOM 1137 HG11 VAL A 71 4.616 -6.454 -10.480 1.00 0.00 H ATOM 1138 HG12 VAL A 71 3.463 -5.618 -11.549 1.00 0.00 H ATOM 1139 HG13 VAL A 71 3.900 -7.315 -11.864 1.00 0.00 H ATOM 1140 HG21 VAL A 71 4.214 -5.089 -13.981 1.00 0.00 H ATOM 1141 HG22 VAL A 71 5.847 -5.594 -14.481 1.00 0.00 H ATOM 1142 HG23 VAL A 71 4.598 -6.819 -14.149 1.00 0.00 H ATOM 1143 H VAL A 71 7.787 -4.921 -13.051 1.00 0.00 H ATOM 1144 N MET A 72 7.266 -5.258 -9.957 1.00 20.51 N ATOM 1145 CA MET A 72 7.545 -5.432 -8.532 1.00 19.29 C ATOM 1146 C MET A 72 7.995 -4.211 -7.762 1.00 23.59 C ATOM 1147 O MET A 72 7.715 -4.132 -6.564 1.00 23.25 O ATOM 1148 CB MET A 72 8.422 -6.656 -8.249 1.00 20.72 C ATOM 1149 CG MET A 72 7.877 -7.950 -8.828 1.00 23.64 C ATOM 1150 SD MET A 72 6.197 -8.410 -8.316 1.00 27.45 S ATOM 1151 CE MET A 72 6.493 -8.889 -6.667 1.00 23.99 C ATOM 1152 HA MET A 72 6.552 -5.618 -8.122 1.00 0.00 H ATOM 1153 HB2 MET A 72 9.409 -6.478 -8.676 1.00 0.00 H ATOM 1154 HB3 MET A 72 8.510 -6.773 -7.169 1.00 0.00 H ATOM 1155 HG2 MET A 72 8.548 -8.756 -8.532 1.00 0.00 H ATOM 1156 HG3 MET A 72 7.881 -7.857 -9.914 1.00 0.00 H ATOM 1157 HE1 MET A 72 7.201 -9.718 -6.652 1.00 0.00 H ATOM 1158 HE2 MET A 72 6.907 -8.046 -6.114 1.00 0.00 H ATOM 1159 HE3 MET A 72 5.556 -9.202 -6.207 1.00 0.00 H ATOM 1160 H MET A 72 7.874 -5.745 -10.646 1.00 0.00 H ATOM 1161 N GLU A 73 8.631 -3.236 -8.437 1.00 22.69 N ATOM 1162 CA GLU A 73 9.078 -2.011 -7.761 1.00 23.95 C ATOM 1163 C GLU A 73 7.926 -1.132 -7.267 1.00 29.12 C ATOM 1164 O GLU A 73 8.141 -0.227 -6.463 1.00 28.71 O ATOM 1165 CB GLU A 73 10.115 -1.232 -8.581 1.00 25.61 C ATOM 1166 CG GLU A 73 9.592 -0.434 -9.766 1.00 37.00 C ATOM 1167 CD GLU A 73 10.689 0.136 -10.649 1.00 63.80 C ATOM 1168 OE1 GLU A 73 11.881 -0.165 -10.402 1.00 59.68 O ATOM 1169 OE2 GLU A 73 10.354 0.878 -11.599 1.00 61.37 O ATOM 1170 HA GLU A 73 9.590 -2.344 -6.858 1.00 0.00 H ATOM 1171 HB2 GLU A 73 10.613 -0.535 -7.907 1.00 0.00 H ATOM 1172 HB3 GLU A 73 10.842 -1.950 -8.961 1.00 0.00 H ATOM 1173 HG2 GLU A 73 8.966 -1.088 -10.373 1.00 0.00 H ATOM 1174 HG3 GLU A 73 8.991 0.392 -9.387 1.00 0.00 H ATOM 1175 H GLU A 73 8.809 -3.352 -9.455 1.00 0.00 H ATOM 1176 N LEU A 74 6.709 -1.411 -7.739 1.00 26.69 N ATOM 1177 CA LEU A 74 5.513 -0.687 -7.320 1.00 26.41 C ATOM 1178 C LEU A 74 4.925 -1.320 -6.056 1.00 28.28 C ATOM 1179 O LEU A 74 4.167 -0.668 -5.337 1.00 27.90 O ATOM 1180 CB LEU A 74 4.461 -0.726 -8.448 1.00 26.81 C ATOM 1181 CG LEU A 74 4.872 -0.178 -9.821 1.00 32.07 C ATOM 1182 CD1 LEU A 74 3.787 -0.432 -10.844 1.00 32.30 C ATOM 1183 CD2 LEU A 74 5.199 1.321 -9.752 1.00 35.80 C ATOM 1184 HA LEU A 74 5.785 0.347 -7.107 1.00 0.00 H ATOM 1185 HB2 LEU A 74 4.169 -1.767 -8.586 1.00 0.00 H ATOM 1186 HB3 LEU A 74 3.599 -0.150 -8.111 1.00 0.00 H ATOM 1187 HG LEU A 74 5.775 -0.705 -10.129 1.00 0.00 H ATOM 1188 HD21 LEU A 74 4.320 1.868 -9.410 1.00 0.00 H ATOM 1189 HD22 LEU A 74 6.022 1.480 -9.055 1.00 0.00 H ATOM 1190 HD23 LEU A 74 5.486 1.675 -10.742 1.00 0.00 H ATOM 1191 HD11 LEU A 74 3.614 -1.505 -10.929 1.00 0.00 H ATOM 1192 HD12 LEU A 74 2.868 0.062 -10.527 1.00 0.00 H ATOM 1193 HD13 LEU A 74 4.100 -0.035 -11.810 1.00 0.00 H ATOM 1194 H LEU A 74 6.609 -2.177 -8.435 1.00 0.00 H ATOM 1195 N LEU A 75 5.309 -2.581 -5.774 1.00 22.43 N ATOM 1196 CA LEU A 75 4.745 -3.417 -4.717 1.00 21.12 C ATOM 1197 C LEU A 75 5.621 -3.746 -3.521 1.00 24.11 C ATOM 1198 O LEU A 75 5.075 -3.975 -2.440 1.00 24.32 O ATOM 1199 CB LEU A 75 4.260 -4.736 -5.343 1.00 20.57 C ATOM 1200 CG LEU A 75 3.397 -4.633 -6.598 1.00 24.28 C ATOM 1201 CD1 LEU A 75 3.123 -5.999 -7.160 1.00 23.40 C ATOM 1202 CD2 LEU A 75 2.091 -3.896 -6.316 1.00 26.51 C ATOM 1203 HA LEU A 75 3.950 -2.801 -4.296 1.00 0.00 H ATOM 1204 HB2 LEU A 75 5.142 -5.323 -5.598 1.00 0.00 H ATOM 1205 HB3 LEU A 75 3.679 -5.265 -4.587 1.00 0.00 H ATOM 1206 HG LEU A 75 3.950 -4.055 -7.338 1.00 0.00 H ATOM 1207 HD21 LEU A 75 1.529 -4.434 -5.552 1.00 0.00 H ATOM 1208 HD22 LEU A 75 2.313 -2.889 -5.964 1.00 0.00 H ATOM 1209 HD23 LEU A 75 1.501 -3.841 -7.231 1.00 0.00 H ATOM 1210 HD11 LEU A 75 4.066 -6.481 -7.416 1.00 0.00 H ATOM 1211 HD12 LEU A 75 2.598 -6.598 -6.416 1.00 0.00 H ATOM 1212 HD13 LEU A 75 2.507 -5.906 -8.054 1.00 0.00 H ATOM 1213 H LEU A 75 6.067 -2.992 -6.355 1.00 0.00 H ATOM 1214 N ILE A 76 6.944 -3.881 -3.723 1.00 21.51 N ATOM 1215 CA ILE A 76 7.880 -4.265 -2.665 1.00 22.26 C ATOM 1216 C ILE A 76 9.099 -3.382 -2.686 1.00 25.67 C ATOM 1217 O ILE A 76 9.421 -2.796 -3.724 1.00 24.48 O ATOM 1218 CB ILE A 76 8.292 -5.770 -2.722 1.00 26.30 C ATOM 1219 CG1 ILE A 76 8.916 -6.157 -4.084 1.00 26.71 C ATOM 1220 CG2 ILE A 76 7.149 -6.688 -2.319 1.00 29.76 C ATOM 1221 CD1 ILE A 76 9.615 -7.532 -4.178 1.00 37.86 C ATOM 1222 HA ILE A 76 7.351 -4.125 -1.723 1.00 0.00 H ATOM 1223 HB ILE A 76 9.078 -5.911 -1.980 1.00 0.00 H ATOM 1224 HG12 ILE A 76 8.118 -6.144 -4.826 1.00 0.00 H ATOM 1225 HG13 ILE A 76 9.655 -5.396 -4.334 1.00 0.00 H ATOM 1226 HD11 ILE A 76 10.435 -7.571 -3.461 1.00 0.00 H ATOM 1227 HD12 ILE A 76 8.896 -8.320 -3.953 1.00 0.00 H ATOM 1228 HD13 ILE A 76 10.005 -7.672 -5.186 1.00 0.00 H ATOM 1229 HG21 ILE A 76 6.841 -6.457 -1.299 1.00 0.00 H ATOM 1230 HG22 ILE A 76 6.308 -6.538 -2.996 1.00 0.00 H ATOM 1231 HG23 ILE A 76 7.481 -7.725 -2.373 1.00 0.00 H ATOM 1232 H ILE A 76 7.320 -3.704 -4.676 1.00 0.00 H ATOM 1233 N ASP A 77 9.807 -3.342 -1.541 1.00 23.22 N ATOM 1234 CA ASP A 77 11.035 -2.571 -1.376 1.00 23.07 C ATOM 1235 C ASP A 77 12.114 -2.996 -2.368 1.00 28.04 C ATOM 1236 O ASP A 77 12.118 -4.144 -2.840 1.00 27.07 O ATOM 1237 CB ASP A 77 11.565 -2.680 0.060 1.00 24.25 C ATOM 1238 CG ASP A 77 12.050 -4.066 0.406 1.00 30.93 C ATOM 1239 OD1 ASP A 77 11.206 -4.917 0.738 1.00 30.42 O ATOM 1240 OD2 ASP A 77 13.271 -4.310 0.307 1.00 36.23 O ATOM 1241 HA ASP A 77 10.785 -1.530 -1.581 1.00 0.00 H ATOM 1242 HB2 ASP A 77 12.394 -1.982 0.179 1.00 0.00 H ATOM 1243 HB3 ASP A 77 10.763 -2.410 0.748 1.00 0.00 H ATOM 1244 H ASP A 77 9.459 -3.891 -0.729 1.00 0.00 H ATOM 1245 N GLU A 78 13.029 -2.075 -2.646 1.00 26.94 N ATOM 1246 CA GLU A 78 14.125 -2.247 -3.586 1.00 27.26 C ATOM 1247 C GLU A 78 15.002 -3.471 -3.314 1.00 28.19 C ATOM 1248 O GLU A 78 15.382 -4.159 -4.278 1.00 27.62 O ATOM 1249 CB GLU A 78 14.963 -0.980 -3.585 1.00 29.28 C ATOM 1250 CG GLU A 78 16.046 -0.978 -4.637 1.00 45.57 C ATOM 1251 CD GLU A 78 16.821 0.316 -4.758 1.00 75.99 C ATOM 1252 OE1 GLU A 78 16.535 1.277 -4.005 1.00 75.34 O ATOM 1253 OE2 GLU A 78 17.717 0.368 -5.630 1.00 74.49 O ATOM 1254 HA GLU A 78 13.684 -2.428 -4.566 1.00 0.00 H ATOM 1255 HB2 GLU A 78 14.305 -0.130 -3.764 1.00 0.00 H ATOM 1256 HB3 GLU A 78 15.431 -0.876 -2.606 1.00 0.00 H ATOM 1257 HG2 GLU A 78 16.752 -1.773 -4.397 1.00 0.00 H ATOM 1258 HG3 GLU A 78 15.581 -1.185 -5.601 1.00 0.00 H ATOM 1259 H GLU A 78 12.956 -1.161 -2.154 1.00 0.00 H ATOM 1260 N ASN A 79 15.343 -3.732 -2.037 1.00 23.64 N ATOM 1261 CA ASN A 79 16.201 -4.871 -1.733 1.00 22.48 C ATOM 1262 C ASN A 79 15.475 -6.205 -1.947 1.00 23.67 C ATOM 1263 O ASN A 79 16.091 -7.164 -2.411 1.00 22.94 O ATOM 1264 CB ASN A 79 16.882 -4.700 -0.387 1.00 25.40 C ATOM 1265 CG ASN A 79 17.829 -3.515 -0.413 1.00 52.31 C ATOM 1266 OD1 ASN A 79 18.644 -3.347 -1.333 1.00 48.16 O ATOM 1267 ND2 ASN A 79 17.677 -2.617 0.545 1.00 47.43 N ATOM 1268 HA ASN A 79 17.020 -4.903 -2.452 1.00 0.00 H ATOM 1269 HB2 ASN A 79 16.125 -4.537 0.380 1.00 0.00 H ATOM 1270 HB3 ASN A 79 17.445 -5.604 -0.153 1.00 0.00 H ATOM 1271 HD22 ASN A 79 16.987 -2.780 1.306 1.00 0.00 H ATOM 1272 HD21 ASN A 79 18.247 -1.747 0.538 1.00 0.00 H ATOM 1273 H ASN A 79 14.995 -3.122 -1.270 1.00 0.00 H ATOM 1274 N SER A 80 14.145 -6.227 -1.752 1.00 18.35 N ATOM 1275 CA SER A 80 13.337 -7.425 -2.017 1.00 17.49 C ATOM 1276 C SER A 80 13.234 -7.701 -3.519 1.00 18.73 C ATOM 1277 O SER A 80 13.223 -8.869 -3.910 1.00 17.25 O ATOM 1278 CB SER A 80 11.947 -7.289 -1.407 1.00 20.20 C ATOM 1279 OG SER A 80 12.021 -7.295 0.009 1.00 24.52 O ATOM 1280 HA SER A 80 13.839 -8.272 -1.549 1.00 0.00 H ATOM 1281 HB2 SER A 80 11.327 -8.123 -1.737 1.00 0.00 H ATOM 1282 HB3 SER A 80 11.500 -6.352 -1.739 1.00 0.00 H ATOM 1283 HG SER A 80 12.581 -6.537 0.312 1.00 0.00 H ATOM 1284 H SER A 80 13.673 -5.369 -1.402 1.00 0.00 H ATOM 1285 N VAL A 81 13.168 -6.641 -4.356 1.00 17.19 N ATOM 1286 CA VAL A 81 13.134 -6.773 -5.826 1.00 17.40 C ATOM 1287 C VAL A 81 14.439 -7.447 -6.300 1.00 21.10 C ATOM 1288 O VAL A 81 14.392 -8.399 -7.084 1.00 20.13 O ATOM 1289 CB VAL A 81 12.899 -5.415 -6.556 1.00 22.44 C ATOM 1290 CG1 VAL A 81 12.952 -5.581 -8.079 1.00 22.84 C ATOM 1291 CG2 VAL A 81 11.570 -4.789 -6.145 1.00 22.40 C ATOM 1292 HA VAL A 81 12.279 -7.396 -6.089 1.00 0.00 H ATOM 1293 HB VAL A 81 13.706 -4.746 -6.255 1.00 0.00 H ATOM 1294 HG11 VAL A 81 13.931 -5.964 -8.368 1.00 0.00 H ATOM 1295 HG12 VAL A 81 12.179 -6.282 -8.394 1.00 0.00 H ATOM 1296 HG13 VAL A 81 12.784 -4.615 -8.555 1.00 0.00 H ATOM 1297 HG21 VAL A 81 10.756 -5.467 -6.401 1.00 0.00 H ATOM 1298 HG22 VAL A 81 11.571 -4.610 -5.070 1.00 0.00 H ATOM 1299 HG23 VAL A 81 11.437 -3.844 -6.672 1.00 0.00 H ATOM 1300 H VAL A 81 13.140 -5.686 -3.944 1.00 0.00 H ATOM 1301 N LYS A 82 15.597 -6.982 -5.788 1.00 19.52 N ATOM 1302 CA LYS A 82 16.904 -7.547 -6.144 1.00 19.03 C ATOM 1303 C LYS A 82 16.975 -9.014 -5.728 1.00 21.30 C ATOM 1304 O LYS A 82 17.483 -9.840 -6.486 1.00 20.64 O ATOM 1305 CB LYS A 82 18.045 -6.734 -5.508 1.00 22.28 C ATOM 1306 CG LYS A 82 18.265 -5.371 -6.169 1.00 39.10 C ATOM 1307 CD LYS A 82 19.414 -4.603 -5.522 1.00 52.76 C ATOM 1308 CE LYS A 82 19.491 -3.172 -6.000 1.00 67.78 C ATOM 1309 NZ LYS A 82 20.524 -2.399 -5.258 1.00 78.31 N ATOM 1310 HA LYS A 82 17.023 -7.491 -7.226 1.00 0.00 H ATOM 1311 HB2 LYS A 82 17.810 -6.574 -4.456 1.00 0.00 H ATOM 1312 HB3 LYS A 82 18.967 -7.310 -5.589 1.00 0.00 H ATOM 1313 HG2 LYS A 82 18.493 -5.523 -7.224 1.00 0.00 H ATOM 1314 HG3 LYS A 82 17.352 -4.783 -6.077 1.00 0.00 H ATOM 1315 HD2 LYS A 82 19.272 -4.604 -4.441 1.00 0.00 H ATOM 1316 HD3 LYS A 82 20.351 -5.104 -5.764 1.00 0.00 H ATOM 1317 HE2 LYS A 82 18.521 -2.697 -5.853 1.00 0.00 H ATOM 1318 HE3 LYS A 82 19.740 -3.167 -7.061 1.00 0.00 H ATOM 1319 HZ1 LYS A 82 20.290 -2.394 -4.245 1.00 0.00 H ATOM 1320 HZ2 LYS A 82 21.454 -2.842 -5.398 1.00 0.00 H ATOM 1321 HZ3 LYS A 82 20.547 -1.422 -5.614 1.00 0.00 H ATOM 1322 H LYS A 82 15.562 -6.191 -5.114 1.00 0.00 H ATOM 1323 N GLN A 83 16.411 -9.348 -4.546 1.00 17.06 N ATOM 1324 CA GLN A 83 16.393 -10.726 -4.053 1.00 16.15 C ATOM 1325 C GLN A 83 15.554 -11.614 -4.973 1.00 18.95 C ATOM 1326 O GLN A 83 15.973 -12.725 -5.303 1.00 17.65 O ATOM 1327 CB GLN A 83 15.851 -10.773 -2.624 1.00 16.93 C ATOM 1328 CG GLN A 83 15.877 -12.171 -2.001 1.00 19.20 C ATOM 1329 CD GLN A 83 15.254 -12.186 -0.626 1.00 24.73 C ATOM 1330 OE1 GLN A 83 14.776 -11.166 -0.118 1.00 23.16 O ATOM 1331 NE2 GLN A 83 15.227 -13.349 -0.002 1.00 20.97 N ATOM 1332 HA GLN A 83 17.415 -11.105 -4.049 1.00 0.00 H ATOM 1333 HB2 GLN A 83 16.454 -10.109 -2.005 1.00 0.00 H ATOM 1334 HB3 GLN A 83 14.820 -10.420 -2.635 1.00 0.00 H ATOM 1335 HG2 GLN A 83 15.325 -12.855 -2.646 1.00 0.00 H ATOM 1336 HG3 GLN A 83 16.912 -12.503 -1.923 1.00 0.00 H ATOM 1337 HE22 GLN A 83 15.637 -14.191 -0.454 1.00 0.00 H ATOM 1338 HE21 GLN A 83 14.796 -13.423 0.941 1.00 0.00 H ATOM 1339 H GLN A 83 15.975 -8.601 -3.968 1.00 0.00 H ATOM 1340 N LEU A 84 14.359 -11.125 -5.366 1.00 16.55 N ATOM 1341 CA LEU A 84 13.439 -11.828 -6.259 1.00 16.27 C ATOM 1342 C LEU A 84 14.132 -12.091 -7.597 1.00 18.86 C ATOM 1343 O LEU A 84 14.099 -13.218 -8.085 1.00 17.79 O ATOM 1344 CB LEU A 84 12.170 -10.960 -6.440 1.00 16.50 C ATOM 1345 CG LEU A 84 11.043 -11.464 -7.357 1.00 21.35 C ATOM 1346 CD1 LEU A 84 9.755 -10.737 -7.049 1.00 21.15 C ATOM 1347 CD2 LEU A 84 11.370 -11.238 -8.827 1.00 24.85 C ATOM 1348 HA LEU A 84 13.148 -12.790 -5.837 1.00 0.00 H ATOM 1349 HB2 LEU A 84 11.737 -10.818 -5.450 1.00 0.00 H ATOM 1350 HB3 LEU A 84 12.495 -9.997 -6.834 1.00 0.00 H ATOM 1351 HG LEU A 84 10.937 -12.533 -7.173 1.00 0.00 H ATOM 1352 HD21 LEU A 84 11.509 -10.172 -9.007 1.00 0.00 H ATOM 1353 HD22 LEU A 84 12.285 -11.773 -9.081 1.00 0.00 H ATOM 1354 HD23 LEU A 84 10.549 -11.608 -9.441 1.00 0.00 H ATOM 1355 HD11 LEU A 84 9.478 -10.916 -6.010 1.00 0.00 H ATOM 1356 HD12 LEU A 84 9.895 -9.668 -7.210 1.00 0.00 H ATOM 1357 HD13 LEU A 84 8.966 -11.104 -7.706 1.00 0.00 H ATOM 1358 H LEU A 84 14.075 -10.190 -5.011 1.00 0.00 H ATOM 1359 N VAL A 85 14.748 -11.052 -8.187 1.00 16.81 N ATOM 1360 CA VAL A 85 15.447 -11.176 -9.480 1.00 16.89 C ATOM 1361 C VAL A 85 16.516 -12.281 -9.424 1.00 19.26 C ATOM 1362 O VAL A 85 16.545 -13.134 -10.310 1.00 19.16 O ATOM 1363 CB VAL A 85 16.021 -9.817 -9.963 1.00 21.00 C ATOM 1364 CG1 VAL A 85 16.980 -10.000 -11.142 1.00 21.37 C ATOM 1365 CG2 VAL A 85 14.900 -8.851 -10.337 1.00 20.99 C ATOM 1366 HA VAL A 85 14.713 -11.476 -10.228 1.00 0.00 H ATOM 1367 HB VAL A 85 16.584 -9.390 -9.133 1.00 0.00 H ATOM 1368 HG11 VAL A 85 17.810 -10.637 -10.838 1.00 0.00 H ATOM 1369 HG12 VAL A 85 16.449 -10.465 -11.972 1.00 0.00 H ATOM 1370 HG13 VAL A 85 17.362 -9.027 -11.453 1.00 0.00 H ATOM 1371 HG21 VAL A 85 14.302 -9.283 -11.139 1.00 0.00 H ATOM 1372 HG22 VAL A 85 14.269 -8.675 -9.466 1.00 0.00 H ATOM 1373 HG23 VAL A 85 15.332 -7.908 -10.672 1.00 0.00 H ATOM 1374 H VAL A 85 14.731 -10.126 -7.714 1.00 0.00 H ATOM 1375 N SER A 86 17.367 -12.279 -8.376 1.00 17.33 N ATOM 1376 CA SER A 86 18.420 -13.288 -8.226 1.00 17.40 C ATOM 1377 C SER A 86 17.862 -14.679 -8.001 1.00 22.18 C ATOM 1378 O SER A 86 18.385 -15.650 -8.550 1.00 23.26 O ATOM 1379 CB SER A 86 19.371 -12.912 -7.092 1.00 22.70 C ATOM 1380 OG SER A 86 19.993 -11.668 -7.370 1.00 35.15 O ATOM 1381 HA SER A 86 18.972 -13.308 -9.166 1.00 0.00 H ATOM 1382 HB2 SER A 86 20.135 -13.683 -6.991 1.00 0.00 H ATOM 1383 HB3 SER A 86 18.810 -12.835 -6.161 1.00 0.00 H ATOM 1384 HG SER A 86 19.300 -10.967 -7.460 1.00 0.00 H ATOM 1385 H SER A 86 17.273 -11.538 -7.652 1.00 0.00 H ATOM 1386 N ASP A 87 16.782 -14.775 -7.219 1.00 18.81 N ATOM 1387 CA ASP A 87 16.147 -16.041 -6.892 1.00 18.27 C ATOM 1388 C ASP A 87 15.497 -16.638 -8.131 1.00 22.09 C ATOM 1389 O ASP A 87 15.763 -17.785 -8.491 1.00 22.55 O ATOM 1390 CB ASP A 87 15.105 -15.783 -5.785 1.00 19.98 C ATOM 1391 CG ASP A 87 14.330 -16.960 -5.237 1.00 23.57 C ATOM 1392 OD1 ASP A 87 14.648 -18.120 -5.606 1.00 23.70 O ATOM 1393 OD2 ASP A 87 13.420 -16.727 -4.426 1.00 23.14 O ATOM 1394 HA ASP A 87 16.886 -16.758 -6.535 1.00 0.00 H ATOM 1395 HB2 ASP A 87 15.631 -15.325 -4.947 1.00 0.00 H ATOM 1396 HB3 ASP A 87 14.378 -15.076 -6.185 1.00 0.00 H ATOM 1397 H ASP A 87 16.377 -13.902 -6.826 1.00 0.00 H ATOM 1398 N CYS A 88 14.664 -15.856 -8.805 1.00 18.12 N ATOM 1399 CA CYS A 88 13.973 -16.399 -9.947 1.00 18.21 C ATOM 1400 C CYS A 88 14.853 -16.574 -11.222 1.00 20.32 C ATOM 1401 O CYS A 88 14.553 -17.428 -12.054 1.00 20.25 O ATOM 1402 CB CYS A 88 12.636 -15.695 -10.159 1.00 19.40 C ATOM 1403 SG CYS A 88 11.684 -15.446 -8.610 1.00 22.64 S ATOM 1404 HA CYS A 88 13.733 -17.436 -9.712 1.00 0.00 H ATOM 1405 HB2 CYS A 88 12.034 -16.296 -10.841 1.00 0.00 H ATOM 1406 HB3 CYS A 88 12.827 -14.720 -10.607 1.00 0.00 H ATOM 1407 H CYS A 88 14.512 -14.869 -8.514 1.00 0.00 H ATOM 1408 N SER A 89 16.065 -15.955 -11.236 1.00 16.56 N ATOM 1409 CA SER A 89 17.040 -16.183 -12.316 1.00 16.39 C ATOM 1410 C SER A 89 17.673 -17.593 -12.223 1.00 20.15 C ATOM 1411 O SER A 89 18.284 -18.039 -13.192 1.00 19.87 O ATOM 1412 CB SER A 89 18.138 -15.129 -12.288 1.00 18.79 C ATOM 1413 OG SER A 89 17.635 -13.863 -12.674 1.00 25.07 O ATOM 1414 HA SER A 89 16.497 -16.109 -13.258 1.00 0.00 H ATOM 1415 HB2 SER A 89 18.932 -15.422 -12.975 1.00 0.00 H ATOM 1416 HB3 SER A 89 18.541 -15.060 -11.278 1.00 0.00 H ATOM 1417 HG SER A 89 16.916 -13.591 -12.050 1.00 0.00 H ATOM 1418 H SER A 89 16.309 -15.303 -10.463 1.00 0.00 H ATOM 1419 N THR A 90 17.533 -18.289 -11.067 1.00 18.64 N ATOM 1420 CA THR A 90 18.100 -19.636 -10.880 1.00 18.25 C ATOM 1421 C THR A 90 17.245 -20.745 -11.472 1.00 23.76 C ATOM 1422 O THR A 90 17.727 -21.878 -11.605 1.00 24.27 O ATOM 1423 CB THR A 90 18.432 -19.922 -9.405 1.00 24.10 C ATOM 1424 OG1 THR A 90 17.226 -20.001 -8.648 1.00 24.22 O ATOM 1425 CG2 THR A 90 19.402 -18.917 -8.805 1.00 25.08 C ATOM 1426 HA THR A 90 19.033 -19.635 -11.444 1.00 0.00 H ATOM 1427 HB THR A 90 18.946 -20.883 -9.365 1.00 0.00 H ATOM 1428 HG1 THR A 90 16.739 -19.142 -8.715 1.00 0.00 H ATOM 1429 HG23 THR A 90 20.309 -18.884 -9.409 1.00 0.00 H ATOM 1430 HG21 THR A 90 18.938 -17.931 -8.790 1.00 0.00 H ATOM 1431 HG22 THR A 90 19.652 -19.218 -7.788 1.00 0.00 H ATOM 1432 H THR A 90 17.005 -17.855 -10.283 1.00 0.00 H ATOM 1433 N ILE A 91 15.966 -20.439 -11.797 1.00 20.30 N ATOM 1434 CA ILE A 91 15.042 -21.411 -12.383 1.00 20.19 C ATOM 1435 C ILE A 91 15.526 -21.744 -13.783 1.00 23.82 C ATOM 1436 O ILE A 91 15.658 -20.860 -14.624 1.00 22.31 O ATOM 1437 CB ILE A 91 13.570 -20.918 -12.344 1.00 22.97 C ATOM 1438 CG1 ILE A 91 13.078 -20.796 -10.878 1.00 23.32 C ATOM 1439 CG2 ILE A 91 12.647 -21.845 -13.172 1.00 23.20 C ATOM 1440 CD1 ILE A 91 11.871 -19.943 -10.711 1.00 27.57 C ATOM 1441 HA ILE A 91 15.039 -22.324 -11.788 1.00 0.00 H ATOM 1442 HB ILE A 91 13.529 -19.928 -12.799 1.00 0.00 H ATOM 1443 HG12 ILE A 91 12.845 -21.795 -10.511 1.00 0.00 H ATOM 1444 HG13 ILE A 91 13.884 -20.370 -10.281 1.00 0.00 H ATOM 1445 HD11 ILE A 91 12.089 -18.934 -11.062 1.00 0.00 H ATOM 1446 HD12 ILE A 91 11.049 -20.361 -11.292 1.00 0.00 H ATOM 1447 HD13 ILE A 91 11.593 -19.911 -9.657 1.00 0.00 H ATOM 1448 HG21 ILE A 91 12.983 -21.858 -14.209 1.00 0.00 H ATOM 1449 HG22 ILE A 91 12.687 -22.855 -12.763 1.00 0.00 H ATOM 1450 HG23 ILE A 91 11.624 -21.473 -13.125 1.00 0.00 H ATOM 1451 H ILE A 91 15.626 -19.472 -11.623 1.00 0.00 H ATOM 1452 N SER A 92 15.854 -23.013 -13.990 1.00 23.10 N ATOM 1453 CA SER A 92 16.356 -23.536 -15.247 1.00 23.97 C ATOM 1454 C SER A 92 15.491 -24.729 -15.567 1.00 27.33 C ATOM 1455 O SER A 92 15.405 -25.674 -14.782 1.00 26.77 O ATOM 1456 CB SER A 92 17.825 -23.932 -15.114 1.00 29.12 C ATOM 1457 OG SER A 92 18.319 -24.490 -16.320 1.00 37.63 O ATOM 1458 HA SER A 92 16.311 -22.794 -16.044 1.00 0.00 H ATOM 1459 HB2 SER A 92 17.924 -24.667 -14.315 1.00 0.00 H ATOM 1460 HB3 SER A 92 18.411 -23.047 -14.866 1.00 0.00 H ATOM 1461 HG SER A 92 19.271 -24.736 -16.203 1.00 0.00 H ATOM 1462 H SER A 92 15.744 -23.678 -13.198 1.00 0.00 H ATOM 1463 N GLU A 93 14.775 -24.636 -16.675 1.00 24.92 N ATOM 1464 CA GLU A 93 13.827 -25.658 -17.080 1.00 25.22 C ATOM 1465 C GLU A 93 13.856 -25.773 -18.584 1.00 28.92 C ATOM 1466 O GLU A 93 13.676 -24.763 -19.268 1.00 28.92 O ATOM 1467 CB GLU A 93 12.431 -25.224 -16.596 1.00 27.05 C ATOM 1468 CG GLU A 93 11.569 -26.301 -15.980 1.00 37.77 C ATOM 1469 CD GLU A 93 12.230 -27.187 -14.945 1.00 52.20 C ATOM 1470 OE1 GLU A 93 12.578 -26.688 -13.852 1.00 43.46 O ATOM 1471 OE2 GLU A 93 12.395 -28.391 -15.234 1.00 40.81 O ATOM 1472 HA GLU A 93 14.077 -26.628 -16.650 1.00 0.00 H ATOM 1473 HB2 GLU A 93 12.567 -24.441 -15.850 1.00 0.00 H ATOM 1474 HB3 GLU A 93 11.894 -24.819 -17.453 1.00 0.00 H ATOM 1475 HG2 GLU A 93 10.719 -25.813 -15.504 1.00 0.00 H ATOM 1476 HG3 GLU A 93 11.213 -26.942 -16.786 1.00 0.00 H ATOM 1477 H GLU A 93 14.896 -23.798 -17.279 1.00 0.00 H ATOM 1478 N GLU A 94 14.102 -26.993 -19.104 1.00 25.40 N ATOM 1479 CA GLU A 94 14.136 -27.236 -20.550 1.00 25.97 C ATOM 1480 C GLU A 94 12.717 -27.107 -21.112 1.00 26.83 C ATOM 1481 O GLU A 94 12.550 -26.657 -22.244 1.00 26.88 O ATOM 1482 CB GLU A 94 14.738 -28.615 -20.879 1.00 27.99 C ATOM 1483 CG GLU A 94 15.142 -28.793 -22.338 1.00 43.85 C ATOM 1484 CD GLU A 94 16.440 -28.159 -22.811 1.00 73.40 C ATOM 1485 OE1 GLU A 94 17.356 -27.953 -21.981 1.00 74.13 O ATOM 1486 OE2 GLU A 94 16.561 -27.925 -24.035 1.00 69.59 O ATOM 1487 HA GLU A 94 14.780 -26.492 -21.018 1.00 0.00 H ATOM 1488 HB2 GLU A 94 15.624 -28.757 -20.260 1.00 0.00 H ATOM 1489 HB3 GLU A 94 13.999 -29.377 -20.634 1.00 0.00 H ATOM 1490 HG2 GLU A 94 15.220 -29.864 -22.523 1.00 0.00 H ATOM 1491 HG3 GLU A 94 14.339 -28.378 -22.948 1.00 0.00 H ATOM 1492 H GLU A 94 14.274 -27.789 -18.457 1.00 0.00 H ATOM 1493 N ASN A 95 11.698 -27.471 -20.311 1.00 20.46 N ATOM 1494 CA ASN A 95 10.299 -27.337 -20.718 1.00 18.14 C ATOM 1495 C ASN A 95 9.896 -25.865 -20.463 1.00 19.08 C ATOM 1496 O ASN A 95 9.827 -25.462 -19.300 1.00 17.50 O ATOM 1497 CB ASN A 95 9.422 -28.308 -19.944 1.00 16.57 C ATOM 1498 CG ASN A 95 7.942 -28.199 -20.269 1.00 22.21 C ATOM 1499 OD1 ASN A 95 7.454 -27.212 -20.841 1.00 21.25 O ATOM 1500 ND2 ASN A 95 7.196 -29.204 -19.892 1.00 19.76 N ATOM 1501 HA ASN A 95 10.167 -27.582 -21.772 1.00 0.00 H ATOM 1502 HB2 ASN A 95 9.749 -29.322 -20.172 1.00 0.00 H ATOM 1503 HB3 ASN A 95 9.554 -28.116 -18.879 1.00 0.00 H ATOM 1504 HD22 ASN A 95 7.627 -30.021 -19.414 1.00 0.00 H ATOM 1505 HD21 ASN A 95 6.171 -29.187 -20.070 1.00 0.00 H ATOM 1506 H ASN A 95 11.913 -27.861 -19.371 1.00 0.00 H ATOM 1507 N PRO A 96 9.646 -25.046 -21.513 1.00 16.83 N ATOM 1508 CA PRO A 96 9.337 -23.622 -21.277 1.00 17.06 C ATOM 1509 C PRO A 96 8.016 -23.365 -20.553 1.00 19.45 C ATOM 1510 O PRO A 96 7.865 -22.330 -19.906 1.00 18.65 O ATOM 1511 CB PRO A 96 9.362 -23.017 -22.684 1.00 19.25 C ATOM 1512 CG PRO A 96 9.012 -24.149 -23.580 1.00 23.61 C ATOM 1513 CD PRO A 96 9.658 -25.355 -22.960 1.00 18.77 C ATOM 1514 HA PRO A 96 10.057 -23.169 -20.595 1.00 0.00 H ATOM 1515 HD3 PRO A 96 9.084 -26.257 -23.171 1.00 0.00 H ATOM 1516 HD2 PRO A 96 10.678 -25.482 -23.323 1.00 0.00 H ATOM 1517 HG3 PRO A 96 9.403 -23.978 -24.583 1.00 0.00 H ATOM 1518 HG2 PRO A 96 7.931 -24.277 -23.630 1.00 0.00 H ATOM 1519 HB2 PRO A 96 8.630 -22.214 -22.772 1.00 0.00 H ATOM 1520 HB3 PRO A 96 10.353 -22.630 -22.920 1.00 0.00 H ATOM 1521 N HIS A 97 7.064 -24.309 -20.658 1.00 16.25 N ATOM 1522 CA HIS A 97 5.768 -24.197 -20.000 1.00 14.82 C ATOM 1523 C HIS A 97 5.957 -24.419 -18.500 1.00 16.38 C ATOM 1524 O HIS A 97 5.417 -23.664 -17.690 1.00 14.68 O ATOM 1525 CB HIS A 97 4.770 -25.205 -20.585 1.00 15.80 C ATOM 1526 CG HIS A 97 4.388 -24.942 -22.010 1.00 19.25 C ATOM 1527 ND1 HIS A 97 4.370 -23.661 -22.537 1.00 21.67 N ATOM 1528 CD2 HIS A 97 3.941 -25.802 -22.949 1.00 20.77 C ATOM 1529 CE1 HIS A 97 3.950 -23.796 -23.785 1.00 20.46 C ATOM 1530 NE2 HIS A 97 3.671 -25.061 -24.072 1.00 20.91 N ATOM 1531 HA HIS A 97 5.358 -23.201 -20.169 1.00 0.00 H ATOM 1532 HB2 HIS A 97 5.216 -26.198 -20.529 1.00 0.00 H ATOM 1533 HB3 HIS A 97 3.864 -25.180 -19.979 1.00 0.00 H ATOM 1534 HD2 HIS A 97 3.818 -26.879 -22.837 1.00 0.00 H ATOM 1535 HE1 HIS A 97 3.846 -22.971 -24.489 1.00 0.00 H ATOM 1536 H HIS A 97 7.260 -25.154 -21.232 1.00 0.00 H ATOM 1537 N LEU A 98 6.794 -25.414 -18.126 1.00 15.42 N ATOM 1538 CA LEU A 98 7.086 -25.653 -16.713 1.00 15.34 C ATOM 1539 C LEU A 98 7.917 -24.505 -16.152 1.00 17.39 C ATOM 1540 O LEU A 98 7.755 -24.134 -14.987 1.00 16.97 O ATOM 1541 CB LEU A 98 7.790 -27.005 -16.518 1.00 15.81 C ATOM 1542 CG LEU A 98 8.159 -27.404 -15.082 1.00 20.34 C ATOM 1543 CD1 LEU A 98 6.943 -27.461 -14.181 1.00 20.03 C ATOM 1544 CD2 LEU A 98 8.884 -28.747 -15.074 1.00 22.14 C ATOM 1545 HA LEU A 98 6.146 -25.696 -16.162 1.00 0.00 H ATOM 1546 HB2 LEU A 98 7.132 -27.778 -16.914 1.00 0.00 H ATOM 1547 HB3 LEU A 98 8.712 -26.982 -17.099 1.00 0.00 H ATOM 1548 HG LEU A 98 8.824 -26.634 -14.690 1.00 0.00 H ATOM 1549 HD21 LEU A 98 8.235 -29.512 -15.500 1.00 0.00 H ATOM 1550 HD22 LEU A 98 9.795 -28.670 -15.667 1.00 0.00 H ATOM 1551 HD23 LEU A 98 9.138 -29.015 -14.049 1.00 0.00 H ATOM 1552 HD11 LEU A 98 6.468 -26.481 -14.152 1.00 0.00 H ATOM 1553 HD12 LEU A 98 6.239 -28.196 -14.570 1.00 0.00 H ATOM 1554 HD13 LEU A 98 7.251 -27.747 -13.175 1.00 0.00 H ATOM 1555 H LEU A 98 7.235 -26.015 -18.851 1.00 0.00 H ATOM 1556 N LYS A 99 8.799 -23.925 -16.983 1.00 15.43 N ATOM 1557 CA LYS A 99 9.597 -22.777 -16.577 1.00 14.40 C ATOM 1558 C LYS A 99 8.671 -21.624 -16.186 1.00 16.31 C ATOM 1559 O LYS A 99 8.893 -20.993 -15.154 1.00 14.79 O ATOM 1560 CB LYS A 99 10.529 -22.323 -17.703 1.00 17.02 C ATOM 1561 CG LYS A 99 11.689 -21.501 -17.171 1.00 28.08 C ATOM 1562 CD LYS A 99 12.179 -20.514 -18.186 1.00 35.16 C ATOM 1563 CE LYS A 99 13.457 -19.850 -17.740 1.00 34.99 C ATOM 1564 NZ LYS A 99 14.601 -20.307 -18.566 1.00 44.43 N ATOM 1565 HA LYS A 99 10.209 -23.071 -15.724 1.00 0.00 H ATOM 1566 HB2 LYS A 99 10.923 -23.202 -18.213 1.00 0.00 H ATOM 1567 HB3 LYS A 99 9.961 -21.718 -18.410 1.00 0.00 H ATOM 1568 HG2 LYS A 99 11.362 -20.961 -16.282 1.00 0.00 H ATOM 1569 HG3 LYS A 99 12.506 -22.172 -16.907 1.00 0.00 H ATOM 1570 HD2 LYS A 99 12.359 -21.033 -19.127 1.00 0.00 H ATOM 1571 HD3 LYS A 99 11.416 -19.750 -18.335 1.00 0.00 H ATOM 1572 HE2 LYS A 99 13.646 -20.101 -16.696 1.00 0.00 H ATOM 1573 HE3 LYS A 99 13.353 -18.770 -17.839 1.00 0.00 H ATOM 1574 HZ1 LYS A 99 14.706 -21.337 -18.471 1.00 0.00 H ATOM 1575 HZ2 LYS A 99 14.426 -20.066 -19.562 1.00 0.00 H ATOM 1576 HZ3 LYS A 99 15.471 -19.837 -18.242 1.00 0.00 H ATOM 1577 H LYS A 99 8.915 -24.307 -17.943 1.00 0.00 H ATOM 1578 N ALA A 100 7.610 -21.387 -16.978 1.00 12.90 N ATOM 1579 CA ALA A 100 6.667 -20.310 -16.701 1.00 12.60 C ATOM 1580 C ALA A 100 5.927 -20.490 -15.380 1.00 14.02 C ATOM 1581 O ALA A 100 5.815 -19.527 -14.629 1.00 13.23 O ATOM 1582 CB ALA A 100 5.681 -20.161 -17.845 1.00 13.65 C ATOM 1583 HA ALA A 100 7.255 -19.397 -16.608 1.00 0.00 H ATOM 1584 HB1 ALA A 100 6.223 -19.931 -18.762 1.00 0.00 H ATOM 1585 HB2 ALA A 100 5.129 -21.093 -17.971 1.00 0.00 H ATOM 1586 HB3 ALA A 100 4.985 -19.353 -17.620 1.00 0.00 H ATOM 1587 H ALA A 100 7.458 -21.989 -17.812 1.00 0.00 H ATOM 1588 N SER A 101 5.430 -21.713 -15.085 1.00 11.73 N ATOM 1589 CA SER A 101 4.714 -21.906 -13.823 1.00 12.45 C ATOM 1590 C SER A 101 5.682 -21.832 -12.645 1.00 14.73 C ATOM 1591 O SER A 101 5.334 -21.251 -11.620 1.00 13.23 O ATOM 1592 CB SER A 101 3.949 -23.223 -13.822 1.00 14.31 C ATOM 1593 OG SER A 101 4.843 -24.298 -14.053 1.00 15.69 O ATOM 1594 HA SER A 101 3.985 -21.103 -13.718 1.00 0.00 H ATOM 1595 HB2 SER A 101 3.195 -23.204 -14.608 1.00 0.00 H ATOM 1596 HB3 SER A 101 3.462 -23.358 -12.856 1.00 0.00 H ATOM 1597 HG SER A 101 4.340 -25.150 -14.051 1.00 0.00 H ATOM 1598 H SER A 101 5.555 -22.506 -15.746 1.00 0.00 H ATOM 1599 N LYS A 102 6.930 -22.337 -12.805 1.00 12.08 N ATOM 1600 CA LYS A 102 7.919 -22.239 -11.735 1.00 11.88 C ATOM 1601 C LYS A 102 8.269 -20.779 -11.465 1.00 15.77 C ATOM 1602 O LYS A 102 8.440 -20.400 -10.311 1.00 17.33 O ATOM 1603 CB LYS A 102 9.160 -23.065 -12.059 1.00 14.27 C ATOM 1604 CG LYS A 102 8.876 -24.546 -11.909 1.00 20.43 C ATOM 1605 CD LYS A 102 10.095 -25.382 -12.088 1.00 26.87 C ATOM 1606 CE LYS A 102 9.814 -26.797 -11.644 1.00 33.97 C ATOM 1607 NZ LYS A 102 11.055 -27.603 -11.624 1.00 44.98 N ATOM 1608 HA LYS A 102 7.485 -22.652 -10.824 1.00 0.00 H ATOM 1609 HB2 LYS A 102 9.467 -22.862 -13.085 1.00 0.00 H ATOM 1610 HB3 LYS A 102 9.964 -22.784 -11.378 1.00 0.00 H ATOM 1611 HG2 LYS A 102 8.472 -24.725 -10.913 1.00 0.00 H ATOM 1612 HG3 LYS A 102 8.139 -24.838 -12.657 1.00 0.00 H ATOM 1613 HD2 LYS A 102 10.383 -25.383 -13.139 1.00 0.00 H ATOM 1614 HD3 LYS A 102 10.908 -24.970 -11.490 1.00 0.00 H ATOM 1615 HE2 LYS A 102 9.104 -27.253 -12.334 1.00 0.00 H ATOM 1616 HE3 LYS A 102 9.385 -26.778 -10.642 1.00 0.00 H ATOM 1617 HZ1 LYS A 102 11.466 -27.628 -12.579 1.00 0.00 H ATOM 1618 HZ2 LYS A 102 11.735 -27.174 -10.964 1.00 0.00 H ATOM 1619 HZ3 LYS A 102 10.833 -28.571 -11.315 1.00 0.00 H ATOM 1620 H LYS A 102 7.186 -22.800 -13.700 1.00 0.00 H ATOM 1621 N LEU A 103 8.316 -19.953 -12.522 1.00 13.13 N ATOM 1622 CA LEU A 103 8.597 -18.522 -12.368 1.00 12.08 C ATOM 1623 C LEU A 103 7.478 -17.786 -11.636 1.00 15.03 C ATOM 1624 O LEU A 103 7.762 -16.985 -10.742 1.00 14.23 O ATOM 1625 CB LEU A 103 8.899 -17.860 -13.713 1.00 12.49 C ATOM 1626 CG LEU A 103 10.323 -18.086 -14.227 1.00 15.77 C ATOM 1627 CD1 LEU A 103 10.401 -17.815 -15.698 1.00 17.02 C ATOM 1628 CD2 LEU A 103 11.340 -17.238 -13.464 1.00 16.40 C ATOM 1629 HA LEU A 103 9.490 -18.447 -11.748 1.00 0.00 H ATOM 1630 HB2 LEU A 103 8.203 -18.257 -14.452 1.00 0.00 H ATOM 1631 HB3 LEU A 103 8.741 -16.787 -13.607 1.00 0.00 H ATOM 1632 HG LEU A 103 10.575 -19.132 -14.053 1.00 0.00 H ATOM 1633 HD21 LEU A 103 11.094 -16.183 -13.584 1.00 0.00 H ATOM 1634 HD22 LEU A 103 11.310 -17.501 -12.407 1.00 0.00 H ATOM 1635 HD23 LEU A 103 12.338 -17.427 -13.859 1.00 0.00 H ATOM 1636 HD11 LEU A 103 9.723 -18.486 -16.226 1.00 0.00 H ATOM 1637 HD12 LEU A 103 10.115 -16.781 -15.891 1.00 0.00 H ATOM 1638 HD13 LEU A 103 11.421 -17.981 -16.043 1.00 0.00 H ATOM 1639 H LEU A 103 8.149 -20.337 -13.474 1.00 0.00 H ATOM 1640 N VAL A 104 6.212 -18.052 -11.994 1.00 12.00 N ATOM 1641 CA VAL A 104 5.081 -17.428 -11.304 1.00 11.87 C ATOM 1642 C VAL A 104 5.082 -17.875 -9.838 1.00 14.73 C ATOM 1643 O VAL A 104 4.854 -17.055 -8.958 1.00 13.85 O ATOM 1644 CB VAL A 104 3.745 -17.711 -12.027 1.00 14.70 C ATOM 1645 CG1 VAL A 104 2.539 -17.311 -11.172 1.00 14.77 C ATOM 1646 CG2 VAL A 104 3.700 -16.984 -13.372 1.00 14.49 C ATOM 1647 HA VAL A 104 5.191 -16.344 -11.325 1.00 0.00 H ATOM 1648 HB VAL A 104 3.689 -18.786 -12.199 1.00 0.00 H ATOM 1649 HG11 VAL A 104 2.551 -17.878 -10.241 1.00 0.00 H ATOM 1650 HG12 VAL A 104 2.590 -16.245 -10.951 1.00 0.00 H ATOM 1651 HG13 VAL A 104 1.621 -17.527 -11.718 1.00 0.00 H ATOM 1652 HG21 VAL A 104 3.794 -15.911 -13.207 1.00 0.00 H ATOM 1653 HG22 VAL A 104 4.523 -17.330 -13.998 1.00 0.00 H ATOM 1654 HG23 VAL A 104 2.752 -17.195 -13.866 1.00 0.00 H ATOM 1655 H VAL A 104 6.031 -18.713 -12.776 1.00 0.00 H ATOM 1656 N GLN A 105 5.368 -19.163 -9.575 1.00 12.62 N ATOM 1657 CA GLN A 105 5.450 -19.668 -8.210 1.00 12.80 C ATOM 1658 C GLN A 105 6.550 -18.916 -7.428 1.00 16.15 C ATOM 1659 O GLN A 105 6.333 -18.537 -6.273 1.00 15.89 O ATOM 1660 CB GLN A 105 5.709 -21.180 -8.236 1.00 13.27 C ATOM 1661 CG GLN A 105 5.819 -21.806 -6.844 1.00 17.52 C ATOM 1662 CD GLN A 105 6.133 -23.275 -6.926 1.00 29.65 C ATOM 1663 OE1 GLN A 105 7.161 -23.688 -7.473 1.00 24.12 O ATOM 1664 NE2 GLN A 105 5.234 -24.098 -6.414 1.00 24.11 N ATOM 1665 HA GLN A 105 4.504 -19.493 -7.697 1.00 0.00 H ATOM 1666 HB2 GLN A 105 4.888 -21.662 -8.767 1.00 0.00 H ATOM 1667 HB3 GLN A 105 6.642 -21.361 -8.770 1.00 0.00 H ATOM 1668 HG2 GLN A 105 6.613 -21.304 -6.291 1.00 0.00 H ATOM 1669 HG3 GLN A 105 4.873 -21.674 -6.320 1.00 0.00 H ATOM 1670 HE22 GLN A 105 4.379 -23.717 -5.960 1.00 0.00 H ATOM 1671 HE21 GLN A 105 5.382 -25.126 -6.465 1.00 0.00 H ATOM 1672 H GLN A 105 5.535 -19.816 -10.367 1.00 0.00 H ATOM 1673 N CYS A 106 7.707 -18.655 -8.071 1.00 13.25 N ATOM 1674 CA CYS A 106 8.815 -17.930 -7.456 1.00 15.01 C ATOM 1675 C CYS A 106 8.425 -16.492 -7.118 1.00 17.04 C ATOM 1676 O CYS A 106 8.628 -16.050 -5.984 1.00 16.53 O ATOM 1677 CB CYS A 106 10.033 -17.971 -8.367 1.00 16.80 C ATOM 1678 SG CYS A 106 11.526 -17.241 -7.640 1.00 21.80 S ATOM 1679 HA CYS A 106 9.066 -18.421 -6.516 1.00 0.00 H ATOM 1680 HB2 CYS A 106 9.796 -17.427 -9.281 1.00 0.00 H ATOM 1681 HB3 CYS A 106 10.244 -19.012 -8.610 1.00 0.00 H ATOM 1682 H CYS A 106 7.815 -18.986 -9.051 1.00 0.00 H ATOM 1683 N VAL A 107 7.836 -15.771 -8.087 1.00 13.53 N ATOM 1684 CA VAL A 107 7.413 -14.379 -7.867 1.00 13.31 C ATOM 1685 C VAL A 107 6.359 -14.328 -6.730 1.00 15.84 C ATOM 1686 O VAL A 107 6.393 -13.409 -5.912 1.00 14.42 O ATOM 1687 CB VAL A 107 6.859 -13.719 -9.164 1.00 16.31 C ATOM 1688 CG1 VAL A 107 6.371 -12.292 -8.894 1.00 15.49 C ATOM 1689 CG2 VAL A 107 7.901 -13.720 -10.288 1.00 15.95 C ATOM 1690 HA VAL A 107 8.291 -13.804 -7.574 1.00 0.00 H ATOM 1691 HB VAL A 107 6.010 -14.319 -9.491 1.00 0.00 H ATOM 1692 HG11 VAL A 107 5.576 -12.316 -8.148 1.00 0.00 H ATOM 1693 HG12 VAL A 107 7.200 -11.690 -8.523 1.00 0.00 H ATOM 1694 HG13 VAL A 107 5.990 -11.858 -9.819 1.00 0.00 H ATOM 1695 HG21 VAL A 107 8.781 -13.162 -9.967 1.00 0.00 H ATOM 1696 HG22 VAL A 107 8.184 -14.747 -10.518 1.00 0.00 H ATOM 1697 HG23 VAL A 107 7.476 -13.251 -11.176 1.00 0.00 H ATOM 1698 H VAL A 107 7.675 -16.208 -9.017 1.00 0.00 H ATOM 1699 N SER A 108 5.436 -15.310 -6.698 1.00 14.99 N ATOM 1700 CA SER A 108 4.330 -15.405 -5.738 1.00 14.37 C ATOM 1701 C SER A 108 4.754 -15.479 -4.283 1.00 19.12 C ATOM 1702 O SER A 108 3.969 -15.096 -3.410 1.00 20.74 O ATOM 1703 CB SER A 108 3.385 -16.549 -6.086 1.00 16.21 C ATOM 1704 OG SER A 108 2.739 -16.286 -7.323 1.00 17.50 O ATOM 1705 HA SER A 108 3.798 -14.459 -5.836 1.00 0.00 H ATOM 1706 HB2 SER A 108 2.635 -16.650 -5.301 1.00 0.00 H ATOM 1707 HB3 SER A 108 3.953 -17.476 -6.165 1.00 0.00 H ATOM 1708 HG SER A 108 3.419 -16.196 -8.037 1.00 0.00 H ATOM 1709 H SER A 108 5.514 -16.062 -7.412 1.00 0.00 H ATOM 1710 N LYS A 109 5.991 -15.934 -4.019 1.00 15.38 N ATOM 1711 CA LYS A 109 6.549 -15.969 -2.658 1.00 15.66 C ATOM 1712 C LYS A 109 6.719 -14.538 -2.110 1.00 20.14 C ATOM 1713 O LYS A 109 6.684 -14.341 -0.890 1.00 21.19 O ATOM 1714 CB LYS A 109 7.945 -16.612 -2.647 1.00 17.66 C ATOM 1715 CG LYS A 109 7.996 -18.100 -2.961 1.00 30.48 C ATOM 1716 CD LYS A 109 9.391 -18.668 -2.642 1.00 38.53 C ATOM 1717 CE LYS A 109 10.499 -18.083 -3.493 1.00 45.00 C ATOM 1718 NZ LYS A 109 11.838 -18.531 -3.037 1.00 52.98 N ATOM 1719 HA LYS A 109 5.856 -16.548 -2.048 1.00 0.00 H ATOM 1720 HB2 LYS A 109 8.557 -16.094 -3.385 1.00 0.00 H ATOM 1721 HB3 LYS A 109 8.372 -16.465 -1.655 1.00 0.00 H ATOM 1722 HG2 LYS A 109 7.250 -18.620 -2.360 1.00 0.00 H ATOM 1723 HG3 LYS A 109 7.779 -18.252 -4.018 1.00 0.00 H ATOM 1724 HD2 LYS A 109 9.615 -18.461 -1.596 1.00 0.00 H ATOM 1725 HD3 LYS A 109 9.368 -19.746 -2.801 1.00 0.00 H ATOM 1726 HE2 LYS A 109 10.452 -16.996 -3.436 1.00 0.00 H ATOM 1727 HE3 LYS A 109 10.354 -18.398 -4.527 1.00 0.00 H ATOM 1728 HZ1 LYS A 109 11.987 -18.229 -2.053 1.00 0.00 H ATOM 1729 HZ2 LYS A 109 11.894 -19.568 -3.095 1.00 0.00 H ATOM 1730 HZ3 LYS A 109 12.569 -18.109 -3.645 1.00 0.00 H ATOM 1731 H LYS A 109 6.577 -16.275 -4.808 1.00 0.00 H ATOM 1732 N TYR A 110 6.961 -13.559 -3.000 1.00 15.93 N ATOM 1733 CA TYR A 110 7.211 -12.153 -2.646 1.00 15.73 C ATOM 1734 C TYR A 110 5.915 -11.355 -2.585 1.00 20.19 C ATOM 1735 O TYR A 110 5.654 -10.685 -1.587 1.00 20.94 O ATOM 1736 CB TYR A 110 8.241 -11.531 -3.613 1.00 16.69 C ATOM 1737 CG TYR A 110 9.579 -12.240 -3.578 1.00 16.99 C ATOM 1738 CD1 TYR A 110 10.617 -11.769 -2.779 1.00 18.80 C ATOM 1739 CD2 TYR A 110 9.797 -13.404 -4.313 1.00 16.50 C ATOM 1740 CE1 TYR A 110 11.849 -12.418 -2.741 1.00 19.63 C ATOM 1741 CE2 TYR A 110 11.022 -14.068 -4.273 1.00 17.20 C ATOM 1742 CZ TYR A 110 12.031 -13.593 -3.450 1.00 22.69 C ATOM 1743 OH TYR A 110 13.244 -14.236 -3.400 1.00 23.04 O ATOM 1744 HA TYR A 110 7.639 -12.118 -1.644 1.00 0.00 H ATOM 1745 HB3 TYR A 110 8.392 -10.487 -3.338 1.00 0.00 H ATOM 1746 HB2 TYR A 110 7.844 -11.584 -4.627 1.00 0.00 H ATOM 1747 HD2 TYR A 110 8.993 -13.803 -4.932 1.00 0.00 H ATOM 1748 HE2 TYR A 110 11.185 -14.955 -4.885 1.00 0.00 H ATOM 1749 HE1 TYR A 110 12.668 -12.002 -2.154 1.00 0.00 H ATOM 1750 HD1 TYR A 110 10.463 -10.877 -2.172 1.00 0.00 H ATOM 1751 HH TYR A 110 13.109 -15.169 -3.097 1.00 0.00 H ATOM 1752 H TYR A 110 6.972 -13.814 -4.008 1.00 0.00 H ATOM 1753 N LYS A 111 5.095 -11.439 -3.643 1.00 15.87 N ATOM 1754 CA LYS A 111 3.770 -10.812 -3.724 1.00 15.51 C ATOM 1755 C LYS A 111 2.950 -11.621 -4.699 1.00 17.15 C ATOM 1756 O LYS A 111 3.453 -11.982 -5.765 1.00 17.36 O ATOM 1757 CB LYS A 111 3.807 -9.359 -4.249 1.00 18.43 C ATOM 1758 CG LYS A 111 4.210 -8.276 -3.261 1.00 34.89 C ATOM 1759 CD LYS A 111 3.409 -8.285 -1.961 1.00 46.85 C ATOM 1760 CE LYS A 111 2.432 -7.157 -1.887 1.00 59.72 C ATOM 1761 NZ LYS A 111 2.768 -6.193 -0.813 1.00 68.27 N ATOM 1762 HA LYS A 111 3.355 -10.787 -2.716 1.00 0.00 H ATOM 1763 HB2 LYS A 111 4.514 -9.327 -5.078 1.00 0.00 H ATOM 1764 HB3 LYS A 111 2.809 -9.116 -4.614 1.00 0.00 H ATOM 1765 HG2 LYS A 111 5.263 -8.412 -3.015 1.00 0.00 H ATOM 1766 HG3 LYS A 111 4.073 -7.307 -3.741 1.00 0.00 H ATOM 1767 HD2 LYS A 111 2.864 -9.226 -1.892 1.00 0.00 H ATOM 1768 HD3 LYS A 111 4.101 -8.205 -1.122 1.00 0.00 H ATOM 1769 HE2 LYS A 111 1.439 -7.564 -1.695 1.00 0.00 H ATOM 1770 HE3 LYS A 111 2.429 -6.632 -2.842 1.00 0.00 H ATOM 1771 HZ1 LYS A 111 2.766 -6.683 0.104 1.00 0.00 H ATOM 1772 HZ2 LYS A 111 3.711 -5.792 -0.991 1.00 0.00 H ATOM 1773 HZ3 LYS A 111 2.062 -5.429 -0.801 1.00 0.00 H ATOM 1774 H LYS A 111 5.421 -11.987 -4.464 1.00 0.00 H ATOM 1775 N THR A 112 1.672 -11.829 -4.374 1.00 14.69 N ATOM 1776 CA THR A 112 0.764 -12.538 -5.266 1.00 14.64 C ATOM 1777 C THR A 112 0.053 -11.522 -6.141 1.00 16.72 C ATOM 1778 O THR A 112 0.007 -10.337 -5.798 1.00 16.88 O ATOM 1779 CB THR A 112 -0.251 -13.360 -4.461 1.00 16.07 C ATOM 1780 OG1 THR A 112 -1.106 -12.467 -3.747 1.00 16.20 O ATOM 1781 CG2 THR A 112 0.412 -14.360 -3.500 1.00 16.52 C ATOM 1782 HA THR A 112 1.329 -13.230 -5.891 1.00 0.00 H ATOM 1783 HB THR A 112 -0.830 -13.958 -5.165 1.00 0.00 H ATOM 1784 HG1 THR A 112 -1.765 -12.990 -3.224 1.00 0.00 H ATOM 1785 HG23 THR A 112 1.059 -15.031 -4.065 1.00 0.00 H ATOM 1786 HG21 THR A 112 1.004 -13.816 -2.764 1.00 0.00 H ATOM 1787 HG22 THR A 112 -0.359 -14.939 -2.992 1.00 0.00 H ATOM 1788 H THR A 112 1.316 -11.477 -3.463 1.00 0.00 H ATOM 1789 N MET A 113 -0.543 -11.978 -7.256 1.00 14.17 N ATOM 1790 CA MET A 113 -1.335 -11.070 -8.096 1.00 12.62 C ATOM 1791 C MET A 113 -2.551 -10.583 -7.314 1.00 17.00 C ATOM 1792 O MET A 113 -2.902 -9.409 -7.411 1.00 17.15 O ATOM 1793 CB MET A 113 -1.777 -11.770 -9.372 1.00 13.99 C ATOM 1794 CG MET A 113 -0.637 -11.983 -10.312 1.00 15.89 C ATOM 1795 SD MET A 113 -1.186 -12.528 -11.942 1.00 18.12 S ATOM 1796 CE MET A 113 -1.195 -14.290 -11.703 1.00 15.28 C ATOM 1797 HA MET A 113 -0.718 -10.215 -8.372 1.00 0.00 H ATOM 1798 HB2 MET A 113 -2.206 -12.738 -9.113 1.00 0.00 H ATOM 1799 HB3 MET A 113 -2.533 -11.159 -9.866 1.00 0.00 H ATOM 1800 HG2 MET A 113 0.026 -12.740 -9.894 1.00 0.00 H ATOM 1801 HG3 MET A 113 -0.092 -11.045 -10.421 1.00 0.00 H ATOM 1802 HE1 MET A 113 -0.191 -14.625 -11.441 1.00 0.00 H ATOM 1803 HE2 MET A 113 -1.885 -14.543 -10.898 1.00 0.00 H ATOM 1804 HE3 MET A 113 -1.514 -14.779 -12.624 1.00 0.00 H ATOM 1805 H MET A 113 -0.443 -12.978 -7.525 1.00 0.00 H ATOM 1806 N LYS A 114 -3.141 -11.459 -6.476 1.00 14.72 N ATOM 1807 CA LYS A 114 -4.307 -11.090 -5.662 1.00 14.48 C ATOM 1808 C LYS A 114 -3.988 -9.937 -4.706 1.00 17.72 C ATOM 1809 O LYS A 114 -4.841 -9.061 -4.500 1.00 18.59 O ATOM 1810 CB LYS A 114 -4.792 -12.291 -4.846 1.00 16.49 C ATOM 1811 CG LYS A 114 -6.111 -12.002 -4.116 1.00 25.91 C ATOM 1812 CD LYS A 114 -6.490 -13.111 -3.189 1.00 36.50 C ATOM 1813 CE LYS A 114 -7.953 -13.068 -2.824 1.00 45.74 C ATOM 1814 NZ LYS A 114 -8.359 -14.258 -2.029 1.00 51.75 N ATOM 1815 HA LYS A 114 -5.088 -10.767 -6.350 1.00 0.00 H ATOM 1816 HB2 LYS A 114 -4.941 -13.136 -5.519 1.00 0.00 H ATOM 1817 HB3 LYS A 114 -4.031 -12.545 -4.108 1.00 0.00 H ATOM 1818 HG2 LYS A 114 -6.001 -11.083 -3.540 1.00 0.00 H ATOM 1819 HG3 LYS A 114 -6.902 -11.874 -4.855 1.00 0.00 H ATOM 1820 HD2 LYS A 114 -6.276 -14.064 -3.673 1.00 0.00 H ATOM 1821 HD3 LYS A 114 -5.897 -13.027 -2.278 1.00 0.00 H ATOM 1822 HE2 LYS A 114 -8.544 -13.036 -3.739 1.00 0.00 H ATOM 1823 HE3 LYS A 114 -8.144 -12.169 -2.238 1.00 0.00 H ATOM 1824 HZ1 LYS A 114 -8.186 -15.120 -2.584 1.00 0.00 H ATOM 1825 HZ2 LYS A 114 -7.803 -14.292 -1.150 1.00 0.00 H ATOM 1826 HZ3 LYS A 114 -9.371 -14.191 -1.798 1.00 0.00 H ATOM 1827 H LYS A 114 -2.760 -12.424 -6.404 1.00 0.00 H ATOM 1828 N SER A 115 -2.756 -9.927 -4.148 1.00 14.95 N ATOM 1829 CA SER A 115 -2.346 -8.921 -3.166 1.00 14.86 C ATOM 1830 C SER A 115 -2.523 -7.484 -3.655 1.00 18.17 C ATOM 1831 O SER A 115 -2.804 -6.591 -2.851 1.00 17.74 O ATOM 1832 CB SER A 115 -0.906 -9.165 -2.725 1.00 18.33 C ATOM 1833 OG SER A 115 0.016 -8.719 -3.703 1.00 21.48 O ATOM 1834 HA SER A 115 -3.013 -9.035 -2.312 1.00 0.00 H ATOM 1835 HB2 SER A 115 -0.761 -10.233 -2.561 1.00 0.00 H ATOM 1836 HB3 SER A 115 -0.724 -8.628 -1.794 1.00 0.00 H ATOM 1837 HG SER A 115 0.939 -8.891 -3.388 1.00 0.00 H ATOM 1838 H SER A 115 -2.074 -10.661 -4.427 1.00 0.00 H ATOM 1839 N VAL A 116 -2.399 -7.266 -4.981 1.00 15.84 N ATOM 1840 CA VAL A 116 -2.518 -5.938 -5.590 1.00 16.83 C ATOM 1841 C VAL A 116 -3.934 -5.336 -5.408 1.00 22.45 C ATOM 1842 O VAL A 116 -4.071 -4.116 -5.295 1.00 23.67 O ATOM 1843 CB VAL A 116 -2.035 -5.964 -7.068 1.00 19.75 C ATOM 1844 CG1 VAL A 116 -2.011 -4.565 -7.677 1.00 20.22 C ATOM 1845 CG2 VAL A 116 -0.649 -6.603 -7.171 1.00 18.97 C ATOM 1846 HA VAL A 116 -1.853 -5.258 -5.058 1.00 0.00 H ATOM 1847 HB VAL A 116 -2.748 -6.565 -7.632 1.00 0.00 H ATOM 1848 HG11 VAL A 116 -3.015 -4.141 -7.650 1.00 0.00 H ATOM 1849 HG12 VAL A 116 -1.333 -3.932 -7.104 1.00 0.00 H ATOM 1850 HG13 VAL A 116 -1.668 -4.626 -8.710 1.00 0.00 H ATOM 1851 HG21 VAL A 116 0.060 -6.027 -6.577 1.00 0.00 H ATOM 1852 HG22 VAL A 116 -0.693 -7.625 -6.795 1.00 0.00 H ATOM 1853 HG23 VAL A 116 -0.331 -6.611 -8.213 1.00 0.00 H ATOM 1854 H VAL A 116 -2.210 -8.079 -5.601 1.00 0.00 H ATOM 1855 N ASP A 117 -4.963 -6.190 -5.311 1.00 19.92 N ATOM 1856 CA ASP A 117 -6.347 -5.724 -5.143 1.00 21.11 C ATOM 1857 C ASP A 117 -6.628 -5.074 -3.792 1.00 28.24 C ATOM 1858 O ASP A 117 -7.586 -4.306 -3.683 1.00 29.64 O ATOM 1859 CB ASP A 117 -7.337 -6.854 -5.421 1.00 22.98 C ATOM 1860 CG ASP A 117 -7.484 -7.168 -6.897 1.00 37.12 C ATOM 1861 OD1 ASP A 117 -7.039 -6.339 -7.733 1.00 37.22 O ATOM 1862 OD2 ASP A 117 -8.077 -8.219 -7.221 1.00 45.36 O ATOM 1863 HA ASP A 117 -6.484 -4.934 -5.882 1.00 0.00 H ATOM 1864 HB2 ASP A 117 -6.992 -7.752 -4.908 1.00 0.00 H ATOM 1865 HB3 ASP A 117 -8.312 -6.565 -5.029 1.00 0.00 H ATOM 1866 H ASP A 117 -4.777 -7.212 -5.356 1.00 0.00 H ATOM 1867 N PHE A 118 -5.802 -5.376 -2.774 1.00 24.27 N ATOM 1868 CA PHE A 118 -5.960 -4.825 -1.417 1.00 23.80 C ATOM 1869 C PHE A 118 -5.131 -3.578 -1.168 1.00 31.07 C ATOM 1870 O PHE A 118 -5.115 -3.072 -0.042 1.00 31.77 O ATOM 1871 CB PHE A 118 -5.636 -5.907 -0.379 1.00 24.38 C ATOM 1872 CG PHE A 118 -6.447 -7.168 -0.562 1.00 24.34 C ATOM 1873 CD1 PHE A 118 -7.838 -7.125 -0.595 1.00 25.64 C ATOM 1874 CD2 PHE A 118 -5.825 -8.402 -0.689 1.00 25.53 C ATOM 1875 CE1 PHE A 118 -8.589 -8.292 -0.774 1.00 25.75 C ATOM 1876 CE2 PHE A 118 -6.580 -9.570 -0.856 1.00 27.27 C ATOM 1877 CZ PHE A 118 -7.958 -9.508 -0.890 1.00 25.14 C ATOM 1878 HA PHE A 118 -7.000 -4.515 -1.320 1.00 0.00 H ATOM 1879 HB2 PHE A 118 -4.579 -6.160 -0.460 1.00 0.00 H ATOM 1880 HB3 PHE A 118 -5.837 -5.506 0.614 1.00 0.00 H ATOM 1881 HD2 PHE A 118 -4.737 -8.463 -0.658 1.00 0.00 H ATOM 1882 HE2 PHE A 118 -6.077 -10.531 -0.959 1.00 0.00 H ATOM 1883 HZ PHE A 118 -8.544 -10.419 -1.008 1.00 0.00 H ATOM 1884 HE1 PHE A 118 -9.677 -8.237 -0.822 1.00 0.00 H ATOM 1885 HD1 PHE A 118 -8.349 -6.169 -0.480 1.00 0.00 H ATOM 1886 H PHE A 118 -5.014 -6.030 -2.954 1.00 0.00 H ATOM 1887 N LEU A 119 -4.468 -3.069 -2.220 1.00 28.97 N ATOM 1888 CA LEU A 119 -3.599 -1.893 -2.186 1.00 32.47 C ATOM 1889 C LEU A 119 -4.297 -0.620 -2.673 1.00 47.29 C ATOM 1890 O LEU A 119 -5.534 -0.553 -2.685 1.00 49.93 O ATOM 1891 CB LEU A 119 -2.382 -2.132 -3.074 1.00 32.65 C ATOM 1892 CG LEU A 119 -1.358 -3.181 -2.695 1.00 37.28 C ATOM 1893 CD1 LEU A 119 -0.204 -3.097 -3.656 1.00 37.29 C ATOM 1894 CD2 LEU A 119 -0.829 -2.981 -1.279 1.00 39.60 C ATOM 1895 HA LEU A 119 -3.315 -1.747 -1.144 1.00 0.00 H ATOM 1896 OXT LEU A 119 -3.586 0.323 -3.099 1.00 71.61 O ATOM 1897 HB2 LEU A 119 -2.761 -2.404 -4.059 1.00 0.00 H ATOM 1898 HB3 LEU A 119 -1.850 -1.183 -3.140 1.00 0.00 H ATOM 1899 HG LEU A 119 -1.843 -4.156 -2.739 1.00 0.00 H ATOM 1900 HD21 LEU A 119 -0.356 -2.002 -1.204 1.00 0.00 H ATOM 1901 HD22 LEU A 119 -1.656 -3.042 -0.572 1.00 0.00 H ATOM 1902 HD23 LEU A 119 -0.098 -3.757 -1.053 1.00 0.00 H ATOM 1903 HD11 LEU A 119 -0.563 -3.278 -4.669 1.00 0.00 H ATOM 1904 HD12 LEU A 119 0.243 -2.105 -3.599 1.00 0.00 H ATOM 1905 HD13 LEU A 119 0.541 -3.848 -3.394 1.00 0.00 H ATOM 1906 H LEU A 119 -4.582 -3.551 -3.134 1.00 0.00 H TER 1907 LEU A 119 HETATM 1908 O HOH 1 -12.949 -13.058 -10.494 1.00 43.68 O HETATM 1909 O HOH 2 2.775 -22.031 -5.090 1.00 35.38 O HETATM 1910 O HOH 3 -8.050 -13.740 -25.446 1.00 45.51 O HETATM 1911 O HOH 4 19.237 -16.168 -5.193 1.00 49.49 O HETATM 1912 O HOH 5 -1.403 -26.732 -6.072 1.00 51.25 O HETATM 1913 O HOH 6 7.687 0.582 -12.827 1.00 38.12 O HETATM 1914 O HOH 7 7.447 -22.724 -26.939 1.00 39.35 O HETATM 1915 O HOH 8 -5.770 -19.876 -2.850 1.00 32.59 O HETATM 1916 O HOH 9 15.751 -17.420 -17.748 1.00 32.58 O HETATM 1917 O HOH 10 14.258 -6.454 2.127 1.00 34.13 O HETATM 1918 O HOH 11 11.955 -28.821 -17.832 1.00 33.80 O HETATM 1919 O HOH 12 12.174 -30.771 -14.424 1.00 48.79 O HETATM 1920 O HOH 13 16.447 -27.928 -14.129 1.00 52.36 O HETATM 1921 O HOH 14 0.218 -6.083 -3.260 1.00 35.00 O HETATM 1922 O HOH 15 8.295 -24.330 -4.549 1.00 58.23 O HETATM 1923 O HOH 16 -7.877 -22.565 -25.436 1.00 48.70 O HETATM 1924 O HOH 17 20.046 -9.661 -2.484 1.00 51.02 O HETATM 1925 O HOH 18 2.873 -8.006 3.519 1.00 43.64 O HETATM 1926 O HOH 19 -9.760 -14.102 -13.789 1.00 28.38 O HETATM 1927 O HOH 20 -2.158 -12.993 -24.962 1.00 29.38 O HETATM 1928 O HOH 21 9.399 -3.970 -19.775 1.00 33.72 O HETATM 1929 O HOH 22 0.175 -14.721 -7.978 1.00 15.80 O HETATM 1930 O HOH 23 3.263 -13.447 -0.962 1.00 34.79 O HETATM 1931 O HOH 24 6.715 -0.353 -2.313 1.00 51.54 O HETATM 1932 O HOH 25 6.874 -16.353 0.878 1.00 43.48 O HETATM 1933 O HOH 26 -0.546 -1.053 -19.222 1.00 24.98 O HETATM 1934 O HOH 27 -11.495 -20.230 -23.571 1.00 28.60 O HETATM 1935 O HOH 28 11.627 -30.196 -11.905 1.00 58.80 O HETATM 1936 O HOH 29 3.029 -21.708 -25.703 1.00 25.27 O HETATM 1937 O HOH 30 -5.311 -25.163 -23.432 1.00 19.87 O HETATM 1938 O HOH 31 2.395 -29.408 -9.383 1.00 26.59 O HETATM 1939 O HOH 32 -2.623 -23.576 -9.567 1.00 20.36 O HETATM 1940 O HOH 33 -0.037 -4.815 1.573 1.00 32.81 O HETATM 1941 O HOH 34 15.653 -7.515 -18.680 1.00 35.17 O HETATM 1942 O HOH 35 -7.215 -10.324 -8.449 1.00 30.24 O HETATM 1943 O HOH 36 19.405 -9.097 -8.424 1.00 36.67 O HETATM 1944 O HOH 37 17.503 -14.049 -17.050 1.00 34.31 O HETATM 1945 O HOH 38 -9.161 -11.861 -12.621 1.00 25.96 O HETATM 1946 O HOH 39 -4.794 -9.330 -9.437 1.00 20.59 O HETATM 1947 O HOH 40 14.169 -8.738 0.944 1.00 42.55 O HETATM 1948 O HOH 41 14.547 -5.980 -20.715 1.00 50.31 O HETATM 1949 O HOH 42 4.188 -29.185 -20.123 1.00 19.22 O HETATM 1950 O HOH 43 -8.034 -15.327 -14.956 1.00 23.77 O HETATM 1951 O HOH 44 -8.425 -25.787 -15.824 1.00 24.69 O HETATM 1952 O HOH 45 0.583 -19.591 -23.071 1.00 22.66 O HETATM 1953 O HOH 46 20.851 -15.747 -9.738 1.00 22.44 O HETATM 1954 O HOH 47 12.529 -1.785 -15.289 1.00 43.58 O HETATM 1955 O HOH 48 14.860 -29.205 -15.956 1.00 42.41 O HETATM 1956 O HOH 49 5.205 -4.770 -18.027 1.00 40.96 O HETATM 1957 O HOH 50 -14.318 -22.447 -12.260 1.00 27.43 O HETATM 1958 O HOH 51 10.458 -20.784 -6.146 1.00 44.70 O HETATM 1959 O HOH 52 9.348 -22.001 -8.296 1.00 22.80 O HETATM 1960 O HOH 53 3.785 -31.656 -19.188 1.00 28.04 O HETATM 1961 O HOH 54 5.680 -27.458 -3.447 1.00 55.92 O HETATM 1962 O HOH 55 -11.353 -25.281 -21.429 1.00 33.93 O HETATM 1963 O HOH 56 -14.087 -21.315 -15.954 1.00 24.13 O HETATM 1964 O HOH 57 -9.157 -19.916 -5.220 1.00 47.44 O HETATM 1965 O HOH 58 10.350 -0.475 -4.755 1.00 39.38 O HETATM 1966 O HOH 59 -2.207 -0.619 1.528 1.00 38.68 O HETATM 1967 O HOH 60 17.615 -18.980 -4.794 1.00 54.33 O HETATM 1968 O HOH 61 -16.274 -19.730 -15.646 1.00 31.09 O HETATM 1969 O HOH 62 6.794 -21.115 -25.176 1.00 38.61 O HETATM 1970 O HOH 63 1.277 -11.357 -1.327 1.00 27.83 O HETATM 1971 O HOH 64 -6.228 -27.328 -15.202 1.00 28.29 O HETATM 1972 O HOH 65 -1.064 -12.433 -27.882 1.00 62.97 O HETATM 1973 O HOH 66 6.527 -14.173 3.793 1.00 56.71 O HETATM 1974 O HOH 67 -14.979 -17.090 -15.562 1.00 30.98 O HETATM 1975 O HOH 68 -11.628 -22.859 -23.977 1.00 37.08 O HETATM 1976 O HOH 69 15.918 -22.823 -18.826 1.00 48.23 O HETATM 1977 O HOH 70 -10.821 -28.891 -20.088 1.00 49.56 O HETATM 1978 O HOH 71 4.927 -30.610 -16.421 1.00 34.25 O HETATM 1979 O HOH 72 7.382 -30.369 -9.511 1.00 60.77 O HETATM 1980 O HOH 73 3.820 -4.117 -20.316 1.00 19.71 O HETATM 1981 O HOH 74 12.907 -23.095 -21.321 1.00 31.12 O HETATM 1982 O HOH 75 -9.564 -16.679 -1.167 1.00 44.26 O HETATM 1983 O HOH 76 -1.830 -31.105 -16.942 1.00 31.59 O HETATM 1984 O HOH 77 2.976 -18.150 -2.828 1.00 53.39 O HETATM 1985 O HOH 78 15.023 -18.213 -14.760 1.00 18.72 O HETATM 1986 O HOH 79 10.594 -25.038 -5.001 1.00 60.41 O HETATM 1987 O HOH 80 17.811 -14.217 -3.940 1.00 32.63 O HETATM 1988 O HOH 81 5.182 -2.495 -16.746 1.00 56.96 O HETATM 1989 O HOH 82 -10.523 -19.636 -27.623 1.00 55.29 O HETATM 1990 O HOH 83 -6.531 -30.470 -5.113 1.00 57.40 O HETATM 1991 O HOH 84 18.730 -7.794 -2.211 1.00 43.34 O HETATM 1992 O HOH 85 -5.320 -6.683 -9.836 1.00 25.83 O HETATM 1993 O HOH 86 -1.302 -20.003 -25.058 1.00 24.80 O HETATM 1994 O HOH 87 4.069 -7.201 -23.758 1.00 23.81 O HETATM 1995 O HOH 88 -7.143 -29.099 -13.339 1.00 52.66 O HETATM 1996 O HOH 89 0.948 -16.833 -24.617 1.00 50.68 O HETATM 1997 O HOH 90 -8.847 -25.471 -8.302 1.00 41.14 O HETATM 1998 O HOH 91 -1.435 4.514 -7.248 1.00 60.93 O HETATM 1999 O HOH 92 -10.198 -10.185 -14.814 1.00 26.83 O HETATM 2000 O HOH 93 8.359 -26.104 -8.078 1.00 43.54 O HETATM 2001 O HOH 94 1.434 -9.261 0.566 1.00 41.78 O HETATM 2002 O HOH 95 -3.478 -21.649 -25.258 1.00 24.94 O HETATM 2003 O HOH 96 5.566 -26.972 -6.365 1.00 28.95 O HETATM 2004 O HOH 97 4.898 -19.677 -4.265 1.00 29.41 O HETATM 2005 O HOH 98 4.800 -22.061 -27.648 1.00 31.76 O HETATM 2006 O HOH 99 -10.230 -13.719 -10.432 1.00 29.73 O HETATM 2007 O HOH 100 -11.926 -14.461 -19.044 1.00 33.60 O HETATM 2008 O HOH 101 3.035 -27.372 -7.361 1.00 36.63 O HETATM 2009 O HOH 102 5.461 -9.700 0.858 1.00 35.25 O HETATM 2010 O HOH 103 9.026 -21.814 -4.109 1.00 53.79 O HETATM 2011 O HOH 104 14.490 -20.766 -21.402 1.00 47.66 O HETATM 2012 O HOH 105 6.174 -21.717 -2.867 1.00 43.03 O HETATM 2013 O HOH 106 17.071 -16.451 -15.907 1.00 42.73 O HETATM 2014 O HOH 107 11.351 -6.784 -19.883 1.00 31.97 O HETATM 2015 O HOH 108 -11.012 -12.431 -22.575 1.00 45.50 O HETATM 2016 O HOH 109 -12.065 -19.444 -6.503 1.00 37.62 O HETATM 2017 O HOH 110 -1.899 8.264 -13.274 1.00 59.05 O HETATM 2018 O HOH 111 20.570 -10.039 -4.890 1.00 54.87 O HETATM 2019 O HOH 112 -7.856 -15.308 -6.726 1.00 33.03 O HETATM 2020 O HOH 113 4.088 1.992 -5.328 1.00 44.69 O HETATM 2021 O HOH 114 -11.323 -14.546 -16.198 1.00 33.38 O HETATM 2022 O HOH 115 15.549 -3.150 -7.246 1.00 44.56 O HETATM 2023 O HOH 116 10.536 -11.080 -26.671 1.00 44.32 O HETATM 2024 O HOH 117 -10.894 -12.403 -15.428 1.00 44.22 O HETATM 2025 O HOH 118 4.711 -9.295 -25.272 1.00 31.46 O HETATM 2026 O HOH 119 -10.855 -13.236 -1.354 1.00 35.02 O HETATM 2027 O HOH 120 7.172 -10.831 -24.146 1.00 37.04 O HETATM 2028 O HOH 121 12.741 0.438 -1.409 1.00 37.29 O HETATM 2029 O HOH 122 -6.057 -22.186 -3.729 1.00 35.11 O HETATM 2030 O HOH 123 13.423 -20.709 -5.595 1.00 58.09 O HETATM 2031 O HOH 124 -4.052 0.010 -16.586 1.00 31.78 O HETATM 2032 O HOH 125 -1.782 0.978 -17.864 1.00 37.42 O HETATM 2033 O HOH 126 -10.113 -26.455 -17.880 1.00 48.08 O HETATM 2034 O HOH 127 13.539 -24.002 -23.794 1.00 53.23 O HETATM 2035 O HOH 128 23.023 -14.916 -5.559 1.00 56.03 O HETATM 2036 O HOH 129 18.786 0.004 1.572 1.00 52.37 O HETATM 2037 O HOH 130 -9.168 -11.444 -9.776 1.00 48.72 O HETATM 2038 O HOH 131 -4.348 -29.032 -17.585 1.00 28.66 O HETATM 2039 O HOH 132 1.813 -30.194 -17.807 1.00 36.13 O HETATM 2040 O HOH 133 14.506 -24.828 -12.235 1.00 46.00 O HETATM 2041 O HOH 134 0.912 -14.185 -24.304 1.00 40.78 O HETATM 2042 O HOH 135 18.676 -12.933 -14.943 1.00 40.11 O HETATM 2043 O HOH 136 0.838 -28.811 -5.883 1.00 52.62 O HETATM 2044 O HOH 137 -4.484 -25.372 -8.202 1.00 34.07 O HETATM 2045 O HOH 138 10.766 -27.759 -25.409 1.00 52.51 O HETATM 2046 O HOH 139 10.745 -31.122 -17.345 1.00 39.91 O HETATM 2047 C1 EOL A 140 2.647 -10.674 -10.663 1.00 -0.04 C HETATM 2048 C2 EOL A 140 2.807 -11.494 -11.785 1.00 -0.05 C HETATM 2049 C4 EOL A 140 3.033 -12.859 -11.630 1.00 -0.08 C HETATM 2050 C6 EOL A 140 3.059 -13.427 -10.361 1.00 -0.05 C HETATM 2051 C5 EOL A 140 2.868 -12.610 -9.251 1.00 0.11 C HETATM 2052 O1 EOL A 140 2.898 -13.159 -8.006 1.00 -0.34 O HETATM 2053 H2 EOL A 140 3.614 -12.778 -7.510 1.00 0.24 H HETATM 2054 C3 EOL A 140 2.691 -11.242 -9.392 1.00 0.11 C HETATM 2055 O2 EOL A 140 2.513 -10.499 -8.241 1.00 -0.33 O HETATM 2056 C10 EOL A 140 2.360 -9.130 -8.313 1.00 0.06 C HETATM 2057 H10 EOL A 140 2.232 -8.722 -7.300 1.00 0.06 H HETATM 2058 H11 EOL A 140 1.474 -8.892 -8.919 1.00 0.06 H HETATM 2059 H12 EOL A 140 3.252 -8.685 -8.777 1.00 0.06 H HETATM 2060 H4 EOL A 140 3.226 -14.491 -10.238 1.00 0.05 H HETATM 2061 H3 EOL A 140 3.189 -13.482 -12.503 1.00 0.04 H HETATM 2062 C7 EOL A 140 2.742 -10.915 -13.163 1.00 0.00 C HETATM 2063 C8 EOL A 140 3.628 -9.766 -13.473 1.00 -0.08 C HETATM 2064 C9 EOL A 140 4.805 -9.630 -12.803 1.00 -0.12 C HETATM 2065 H8 EOL A 140 5.463 -8.790 -13.023 1.00 0.03 H HETATM 2066 H9 EOL A 140 5.089 -10.361 -12.047 1.00 0.03 H HETATM 2067 H7 EOL A 140 3.339 -9.038 -14.230 1.00 0.07 H HETATM 2068 H5 EOL A 140 1.706 -10.585 -13.332 1.00 0.06 H HETATM 2069 H6 EOL A 140 2.990 -11.721 -13.870 1.00 0.06 H HETATM 2070 H1 EOL A 140 2.490 -9.608 -10.781 1.00 0.05 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 275 274 768 CONECT 768 275 767 CONECT 1403 1402 1678 CONECT 1678 1403 1677 CONECT 2047 2048 2054 2070 CONECT 2048 2047 2049 2062 CONECT 2049 2048 2050 2061 CONECT 2050 2049 2051 2060 CONECT 2051 2050 2052 2054 CONECT 2052 2051 2053 CONECT 2053 2052 CONECT 2054 2047 2051 2055 CONECT 2055 2054 2056 CONECT 2056 2055 2057 2058 2059 CONECT 2057 2056 CONECT 2058 2056 CONECT 2059 2056 CONECT 2060 2050 CONECT 2061 2049 CONECT 2062 2048 2063 2068 2069 CONECT 2063 2062 2064 2067 CONECT 2064 2063 2065 2066 CONECT 2065 2064 CONECT 2066 2064 CONECT 2067 2063 CONECT 2068 2062 CONECT 2069 2062 CONECT 2070 2047 MASTER 0 0 0 0 0 0 0 0 2069 1 32 10 END
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Structure:
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Related entries of code: 3s0e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3s0b
RCSB PDB
PDBbind
119aa, >3S0B_1|Chain... *
3s0d
RCSB PDB
PDBbind
119aa, >3S0D_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3s0e
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Apis mellifera Odorant-Binding Proteins (OBP14)
Ligand Name
EOL
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.28uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Insect Biochem.Mol.Biol. Vol. 42: pp. 41-50
Ligand Properties
Formula
C
1
0
H
1
2
O
2
Molecular Weight
164.201
Exact Mass
164.084
No. of atoms
24
No. of bonds
24
Polar Surface Area
29.46
LOGP Value
2.61 (
Computed with XLOGP3
)
2.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
C=CCc1ccc(c(c1)OC)O
InChI String
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
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):
Q1W640
Entrez Gene ID
NCBI Entrez Gene ID:
677673
ASD
Information of known allosteric effects of PDB entries
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