Browse entries in the PDBbind-CN Database
HEADER 2PQL_COMPLEX COMPND 2PQL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 GLU THR VAL GLN ASP CYS GLU ASN LYS LEU PRO PRO SER SEQRES 2 A 144 LEU LYS SER ARG LEU CYS GLU ILE ARG ARG TYR GLU ILE SEQRES 3 A 144 ILE GLU GLY PRO GLU MET ASP LYS HIS ILE HIS CYS VAL SEQRES 4 A 144 MET ARG ALA LEU ASP PHE VAL TYR GLU ASP GLY ARG GLY SEQRES 5 A 144 ASP TYR HIS LYS LEU TYR ASP PRO LEU ASN ILE ILE GLU SEQRES 6 A 144 LEU ASP LYS ARG HIS ASP VAL ASN LEU GLU LYS CYS ILE SEQRES 7 A 144 GLY GLU CYS VAL GLN VAL PRO THR SER GLU ARG ALA HIS SEQRES 8 A 144 VAL PHE TYR LYS CYS LEU LEU LYS SER THR THR GLY ARG SEQRES 9 A 144 THR PHE LYS LYS VAL PHE ASP LEU MET GLU LEU LYS LYS SEQRES 10 A 144 ALA GLY LYS VAL PRO GLN HIS GLN ARG TYR THR ALA GLU SEQRES 11 A 144 PHE VAL GLN ILE MET LYS ASP TYR ASP LYS ALA LEU ASN SEQRES 12 A 144 CYS HET TSS A 266 25 SSBOND 1 CYS A 6 CYS A 38 SSBOND 2 CYS A 77 CYS A 96 SSBOND 3 CYS A 19 CYS A 144 ATOM 1 N GLU A 1 20.425 -16.267 -7.465 1.00 28.93 N ATOM 2 CA GLU A 1 19.964 -15.660 -6.180 1.00 28.74 C ATOM 3 C GLU A 1 19.332 -16.679 -5.227 1.00 30.98 C ATOM 4 O GLU A 1 18.419 -17.427 -5.607 1.00 28.82 O ATOM 5 CB GLU A 1 18.987 -14.517 -6.436 1.00 28.21 C ATOM 6 CG GLU A 1 18.622 -13.754 -5.168 1.00 30.95 C ATOM 7 CD GLU A 1 17.889 -12.454 -5.447 1.00 32.82 C ATOM 8 OE1 GLU A 1 16.917 -12.478 -6.235 1.00 30.01 O ATOM 9 OE2 GLU A 1 18.280 -11.412 -4.871 1.00 28.40 O ATOM 10 HA GLU A 1 20.859 -15.273 -5.692 1.00 0.00 H ATOM 11 HB2 GLU A 1 19.442 -13.822 -7.142 1.00 0.00 H ATOM 12 HB3 GLU A 1 18.075 -14.929 -6.869 1.00 0.00 H ATOM 13 HG2 GLU A 1 17.983 -14.388 -4.553 1.00 0.00 H ATOM 14 HG3 GLU A 1 19.538 -13.526 -4.624 1.00 0.00 H ATOM 15 HN3 GLU A 1 19.614 -16.697 -7.955 1.00 0.00 H ATOM 16 HN2 GLU A 1 21.138 -16.997 -7.266 1.00 0.00 H ATOM 17 HN1 GLU A 1 20.843 -15.528 -8.066 1.00 0.00 H ATOM 18 N THR A 2 19.823 -16.697 -3.986 1.00 28.80 N ATOM 19 CA THR A 2 19.432 -17.710 -3.009 1.00 24.86 C ATOM 20 C THR A 2 18.536 -17.104 -1.942 1.00 24.05 C ATOM 21 O THR A 2 18.414 -15.877 -1.849 1.00 24.63 O ATOM 22 CB THR A 2 20.659 -18.325 -2.315 1.00 24.57 C ATOM 23 OG1 THR A 2 21.403 -17.295 -1.656 1.00 26.80 O ATOM 24 CG2 THR A 2 21.552 -19.025 -3.322 1.00 27.03 C ATOM 25 HA THR A 2 18.897 -18.488 -3.554 1.00 0.00 H ATOM 26 HB THR A 2 20.313 -19.058 -1.586 1.00 0.00 H ATOM 27 HG1 THR A 2 21.701 -16.627 -2.323 1.00 0.00 H ATOM 28 HG23 THR A 2 20.986 -19.810 -3.824 1.00 0.00 H ATOM 29 HG21 THR A 2 21.904 -18.302 -4.058 1.00 0.00 H ATOM 30 HG22 THR A 2 22.405 -19.465 -2.805 1.00 0.00 H ATOM 31 H THR A 2 20.507 -15.965 -3.705 1.00 0.00 H ATOM 32 N VAL A 3 17.907 -17.972 -1.147 1.00 23.67 N ATOM 33 CA VAL A 3 17.163 -17.575 0.048 1.00 21.05 C ATOM 34 C VAL A 3 17.997 -16.717 1.000 1.00 24.49 C ATOM 35 O VAL A 3 17.505 -15.728 1.538 1.00 25.19 O ATOM 36 CB VAL A 3 16.635 -18.798 0.815 1.00 21.97 C ATOM 37 CG1 VAL A 3 15.987 -18.369 2.116 1.00 19.44 C ATOM 38 CG2 VAL A 3 15.663 -19.590 -0.050 1.00 19.30 C ATOM 39 HA VAL A 3 16.325 -16.978 -0.311 1.00 0.00 H ATOM 40 HB VAL A 3 17.475 -19.448 1.057 1.00 0.00 H ATOM 41 HG11 VAL A 3 16.722 -17.853 2.734 1.00 0.00 H ATOM 42 HG12 VAL A 3 15.155 -17.698 1.902 1.00 0.00 H ATOM 43 HG13 VAL A 3 15.619 -19.248 2.645 1.00 0.00 H ATOM 44 HG21 VAL A 3 14.822 -18.953 -0.326 1.00 0.00 H ATOM 45 HG22 VAL A 3 16.174 -19.929 -0.951 1.00 0.00 H ATOM 46 HG23 VAL A 3 15.300 -20.452 0.510 1.00 0.00 H ATOM 47 H VAL A 3 17.948 -18.982 -1.390 1.00 0.00 H ATOM 48 N GLN A 4 19.252 -17.109 1.212 1.00 25.75 N ATOM 49 CA GLN A 4 20.213 -16.292 1.957 1.00 26.72 C ATOM 50 C GLN A 4 20.356 -14.879 1.406 1.00 26.78 C ATOM 51 O GLN A 4 20.374 -13.912 2.165 1.00 26.97 O ATOM 52 CB GLN A 4 21.580 -16.954 1.966 1.00 27.69 C ATOM 53 CG GLN A 4 22.545 -16.377 3.002 1.00 34.27 C ATOM 54 CD GLN A 4 23.448 -17.446 3.588 1.00 52.99 C ATOM 55 OE1 GLN A 4 23.000 -18.560 3.897 1.00 58.05 O ATOM 56 NE2 GLN A 4 24.731 -17.123 3.731 1.00 59.11 N ATOM 57 HA GLN A 4 19.817 -16.215 2.970 1.00 0.00 H ATOM 58 HB2 GLN A 4 21.446 -18.015 2.176 1.00 0.00 H ATOM 59 HB3 GLN A 4 22.025 -16.834 0.978 1.00 0.00 H ATOM 60 HG2 GLN A 4 23.162 -15.616 2.524 1.00 0.00 H ATOM 61 HG3 GLN A 4 21.968 -15.922 3.807 1.00 0.00 H ATOM 62 HE22 GLN A 4 25.062 -16.176 3.458 1.00 0.00 H ATOM 63 HE21 GLN A 4 25.402 -17.818 4.116 1.00 0.00 H ATOM 64 H GLN A 4 19.561 -18.028 0.835 1.00 0.00 H ATOM 65 N ASP A 5 20.469 -14.764 0.087 1.00 26.67 N ATOM 66 CA ASP A 5 20.512 -13.452 -0.563 1.00 26.92 C ATOM 67 C ASP A 5 19.255 -12.642 -0.251 1.00 26.08 C ATOM 68 O ASP A 5 19.345 -11.469 0.086 1.00 26.20 O ATOM 69 CB ASP A 5 20.692 -13.594 -2.078 1.00 25.05 C ATOM 70 CG ASP A 5 22.069 -14.100 -2.458 1.00 27.79 C ATOM 71 OD1 ASP A 5 23.040 -13.853 -1.701 1.00 28.87 O ATOM 72 OD2 ASP A 5 22.185 -14.739 -3.524 1.00 21.12 O ATOM 73 HA ASP A 5 21.373 -12.915 -0.164 1.00 0.00 H ATOM 74 HB2 ASP A 5 19.947 -14.295 -2.454 1.00 0.00 H ATOM 75 HB3 ASP A 5 20.538 -12.619 -2.541 1.00 0.00 H ATOM 76 H ASP A 5 20.528 -15.623 -0.496 1.00 0.00 H ATOM 77 N CYS A 6 18.089 -13.282 -0.334 1.00 26.86 N ATOM 78 CA CYS A 6 16.827 -12.639 0.046 1.00 27.02 C ATOM 79 C CYS A 6 16.807 -12.183 1.503 1.00 26.66 C ATOM 80 O CYS A 6 16.361 -11.084 1.808 1.00 27.45 O ATOM 81 CB CYS A 6 15.624 -13.561 -0.214 1.00 26.01 C ATOM 82 SG CYS A 6 15.394 -14.104 -1.916 1.00 25.44 S ATOM 83 HA CYS A 6 16.749 -11.753 -0.584 1.00 0.00 H ATOM 84 HB2 CYS A 6 14.723 -13.027 0.090 1.00 0.00 H ATOM 85 HB3 CYS A 6 15.745 -14.449 0.406 1.00 0.00 H ATOM 86 H CYS A 6 18.074 -14.264 -0.677 1.00 0.00 H ATOM 87 N GLU A 7 17.275 -13.033 2.405 1.00 25.05 N ATOM 88 CA GLU A 7 17.407 -12.633 3.802 1.00 27.67 C ATOM 89 C GLU A 7 18.406 -11.484 4.037 1.00 28.00 C ATOM 90 O GLU A 7 18.139 -10.574 4.823 1.00 26.76 O ATOM 91 CB GLU A 7 17.710 -13.848 4.685 1.00 27.11 C ATOM 92 CG GLU A 7 16.678 -14.963 4.523 1.00 24.76 C ATOM 93 CD GLU A 7 16.880 -16.089 5.501 1.00 28.22 C ATOM 94 OE1 GLU A 7 18.048 -16.381 5.838 1.00 22.82 O ATOM 95 OE2 GLU A 7 15.871 -16.695 5.925 1.00 29.16 O ATOM 96 HA GLU A 7 16.441 -12.222 4.094 1.00 0.00 H ATOM 97 HB2 GLU A 7 18.692 -14.239 4.417 1.00 0.00 H ATOM 98 HB3 GLU A 7 17.719 -13.529 5.727 1.00 0.00 H ATOM 99 HG2 GLU A 7 15.684 -14.543 4.675 1.00 0.00 H ATOM 100 HG3 GLU A 7 16.752 -15.362 3.511 1.00 0.00 H ATOM 101 H GLU A 7 17.550 -13.993 2.115 1.00 0.00 H ATOM 102 N ASN A 8 19.547 -11.521 3.351 1.00 29.82 N ATOM 103 CA ASN A 8 20.558 -10.474 3.501 1.00 32.55 C ATOM 104 C ASN A 8 19.931 -9.116 3.173 1.00 32.37 C ATOM 105 O ASN A 8 20.382 -8.072 3.647 1.00 32.97 O ATOM 106 CB ASN A 8 21.764 -10.743 2.585 1.00 32.04 C ATOM 107 CG ASN A 8 22.683 -11.846 3.115 1.00 34.34 C ATOM 108 OD1 ASN A 8 22.744 -12.113 4.322 1.00 30.44 O ATOM 109 ND2 ASN A 8 23.420 -12.479 2.205 1.00 34.81 N ATOM 110 HA ASN A 8 20.915 -10.470 4.531 1.00 0.00 H ATOM 111 HB2 ASN A 8 21.395 -11.040 1.603 1.00 0.00 H ATOM 112 HB3 ASN A 8 22.342 -9.824 2.492 1.00 0.00 H ATOM 113 HD22 ASN A 8 23.338 -12.223 1.200 1.00 0.00 H ATOM 114 HD21 ASN A 8 24.078 -13.229 2.499 1.00 0.00 H ATOM 115 H ASN A 8 19.723 -12.309 2.696 1.00 0.00 H ATOM 116 N LYS A 9 18.864 -9.167 2.381 1.00 33.53 N ATOM 117 CA LYS A 9 18.299 -8.009 1.695 1.00 34.16 C ATOM 118 C LYS A 9 17.095 -7.453 2.457 1.00 32.45 C ATOM 119 O LYS A 9 16.523 -6.439 2.067 1.00 32.46 O ATOM 120 CB LYS A 9 17.859 -8.420 0.284 1.00 34.41 C ATOM 121 CG LYS A 9 17.648 -7.239 -0.679 1.00 39.24 C ATOM 122 CD LYS A 9 16.878 -7.890 -2.055 1.00 37.25 C ATOM 123 CE LYS A 9 16.685 -6.329 -2.865 1.00 42.73 C ATOM 124 NZ LYS A 9 16.397 -6.706 -4.358 1.00 35.66 N ATOM 125 HA LYS A 9 19.063 -7.233 1.641 1.00 0.00 H ATOM 126 HB2 LYS A 9 18.624 -9.072 -0.137 1.00 0.00 H ATOM 127 HB3 LYS A 9 16.920 -8.968 0.364 1.00 0.00 H ATOM 128 HG2 LYS A 9 17.019 -6.479 -0.216 1.00 0.00 H ATOM 129 HG3 LYS A 9 18.606 -6.797 -0.954 1.00 0.00 H ATOM 130 HD2 LYS A 9 17.510 -8.583 -2.610 1.00 0.00 H ATOM 131 HD3 LYS A 9 15.928 -8.372 -1.824 1.00 0.00 H ATOM 132 HE2 LYS A 9 17.596 -5.736 -2.784 1.00 0.00 H ATOM 133 HE3 LYS A 9 15.851 -5.772 -2.438 1.00 0.00 H ATOM 134 HZ1 LYS A 9 17.199 -7.248 -4.738 1.00 0.00 H ATOM 135 HZ2 LYS A 9 15.533 -7.282 -4.408 1.00 0.00 H ATOM 136 HZ3 LYS A 9 16.269 -5.837 -4.915 1.00 0.00 H ATOM 137 H LYS A 9 18.404 -10.089 2.242 1.00 0.00 H ATOM 138 N LEU A 10 16.712 -8.126 3.536 1.00 32.38 N ATOM 139 CA LEU A 10 15.545 -7.731 4.328 1.00 32.62 C ATOM 140 C LEU A 10 15.733 -6.367 4.988 1.00 34.14 C ATOM 141 O LEU A 10 16.798 -6.071 5.538 1.00 34.03 O ATOM 142 CB LEU A 10 15.239 -8.777 5.406 1.00 31.89 C ATOM 143 CG LEU A 10 14.478 -10.036 4.979 1.00 29.23 C ATOM 144 CD1 LEU A 10 14.380 -11.009 6.141 1.00 31.00 C ATOM 145 CD2 LEU A 10 13.092 -9.668 4.472 1.00 33.53 C ATOM 146 HA LEU A 10 14.706 -7.663 3.635 1.00 0.00 H ATOM 147 HB2 LEU A 10 16.191 -9.099 5.828 1.00 0.00 H ATOM 148 HB3 LEU A 10 14.648 -8.285 6.179 1.00 0.00 H ATOM 149 HG LEU A 10 15.024 -10.519 4.169 1.00 0.00 H ATOM 150 HD21 LEU A 10 12.537 -9.168 5.266 1.00 0.00 H ATOM 151 HD22 LEU A 10 13.185 -9.000 3.616 1.00 0.00 H ATOM 152 HD23 LEU A 10 12.564 -10.573 4.172 1.00 0.00 H ATOM 153 HD11 LEU A 10 15.383 -11.290 6.464 1.00 0.00 H ATOM 154 HD12 LEU A 10 13.851 -10.534 6.967 1.00 0.00 H ATOM 155 HD13 LEU A 10 13.837 -11.899 5.823 1.00 0.00 H ATOM 156 H LEU A 10 17.259 -8.961 3.828 1.00 0.00 H ATOM 157 N PRO A 11 14.687 -5.534 4.950 1.00 36.01 N ATOM 158 CA PRO A 11 14.741 -4.268 5.655 1.00 37.62 C ATOM 159 C PRO A 11 14.197 -4.398 7.075 1.00 38.94 C ATOM 160 O PRO A 11 13.423 -5.313 7.354 1.00 40.26 O ATOM 161 CB PRO A 11 13.825 -3.374 4.815 1.00 37.79 C ATOM 162 CG PRO A 11 12.838 -4.335 4.162 1.00 39.46 C ATOM 163 CD PRO A 11 13.405 -5.727 4.246 1.00 34.27 C ATOM 164 HA PRO A 11 15.756 -3.885 5.762 1.00 0.00 H ATOM 165 HD3 PRO A 11 12.744 -6.384 4.812 1.00 0.00 H ATOM 166 HD2 PRO A 11 13.565 -6.144 3.252 1.00 0.00 H ATOM 167 HG3 PRO A 11 12.691 -4.059 3.118 1.00 0.00 H ATOM 168 HG2 PRO A 11 11.883 -4.294 4.685 1.00 0.00 H ATOM 169 HB2 PRO A 11 13.302 -2.657 5.448 1.00 0.00 H ATOM 170 HB3 PRO A 11 14.399 -2.839 4.058 1.00 0.00 H ATOM 171 N PRO A 12 14.642 -3.517 7.988 1.00 38.65 N ATOM 172 CA PRO A 12 15.215 -3.973 9.246 1.00 36.74 C ATOM 173 C PRO A 12 14.086 -4.348 10.208 1.00 34.87 C ATOM 174 O PRO A 12 14.318 -5.044 11.199 1.00 34.41 O ATOM 175 CB PRO A 12 15.977 -2.738 9.764 1.00 37.20 C ATOM 176 CG PRO A 12 15.860 -1.683 8.680 1.00 36.86 C ATOM 177 CD PRO A 12 14.657 -2.051 7.879 1.00 39.13 C ATOM 178 HA PRO A 12 15.856 -4.849 9.145 1.00 0.00 H ATOM 179 HD3 PRO A 12 13.752 -1.614 8.302 1.00 0.00 H ATOM 180 HD2 PRO A 12 14.761 -1.733 6.842 1.00 0.00 H ATOM 181 HG3 PRO A 12 16.750 -1.685 8.051 1.00 0.00 H ATOM 182 HG2 PRO A 12 15.733 -0.696 9.124 1.00 0.00 H ATOM 183 HB2 PRO A 12 15.530 -2.379 10.691 1.00 0.00 H ATOM 184 HB3 PRO A 12 17.024 -2.986 9.939 1.00 0.00 H ATOM 185 N SER A 13 12.873 -3.894 9.899 1.00 33.50 N ATOM 186 CA SER A 13 11.677 -4.298 10.636 1.00 33.67 C ATOM 187 C SER A 13 11.342 -5.775 10.429 1.00 33.74 C ATOM 188 O SER A 13 10.603 -6.367 11.221 1.00 33.59 O ATOM 189 CB SER A 13 10.479 -3.428 10.244 1.00 34.41 C ATOM 190 OG SER A 13 9.999 -3.756 8.950 1.00 35.54 O ATOM 191 HA SER A 13 11.894 -4.154 11.695 1.00 0.00 H ATOM 192 HB2 SER A 13 10.783 -2.381 10.255 1.00 0.00 H ATOM 193 HB3 SER A 13 9.679 -3.580 10.968 1.00 0.00 H ATOM 194 HG SER A 13 9.227 -3.177 8.729 1.00 0.00 H ATOM 195 H SER A 13 12.773 -3.229 9.106 1.00 0.00 H ATOM 196 N LEU A 14 11.886 -6.361 9.367 1.00 32.06 N ATOM 197 CA LEU A 14 11.593 -7.747 9.023 1.00 32.18 C ATOM 198 C LEU A 14 12.699 -8.680 9.505 1.00 30.89 C ATOM 199 O LEU A 14 12.468 -9.868 9.729 1.00 30.72 O ATOM 200 CB LEU A 14 11.402 -7.895 7.512 1.00 30.51 C ATOM 201 CG LEU A 14 9.968 -7.765 6.995 1.00 34.43 C ATOM 202 CD1 LEU A 14 9.823 -8.435 5.638 1.00 35.50 C ATOM 203 CD2 LEU A 14 8.981 -8.349 7.994 1.00 34.59 C ATOM 204 HA LEU A 14 10.667 -8.027 9.526 1.00 0.00 H ATOM 205 HB2 LEU A 14 12.002 -7.127 7.024 1.00 0.00 H ATOM 206 HB3 LEU A 14 11.771 -8.880 7.225 1.00 0.00 H ATOM 207 HG LEU A 14 9.743 -6.705 6.876 1.00 0.00 H ATOM 208 HD21 LEU A 14 9.205 -9.404 8.150 1.00 0.00 H ATOM 209 HD22 LEU A 14 9.065 -7.815 8.940 1.00 0.00 H ATOM 210 HD23 LEU A 14 7.968 -8.245 7.605 1.00 0.00 H ATOM 211 HD11 LEU A 14 10.499 -7.961 4.926 1.00 0.00 H ATOM 212 HD12 LEU A 14 10.071 -9.493 5.728 1.00 0.00 H ATOM 213 HD13 LEU A 14 8.795 -8.330 5.290 1.00 0.00 H ATOM 214 H LEU A 14 12.537 -5.817 8.766 1.00 0.00 H ATOM 215 N LYS A 15 13.901 -8.134 9.661 1.00 30.69 N ATOM 216 CA LYS A 15 15.084 -8.947 9.914 1.00 31.90 C ATOM 217 C LYS A 15 15.229 -9.263 11.399 1.00 31.53 C ATOM 218 O LYS A 15 15.859 -10.252 11.774 1.00 28.56 O ATOM 219 CB LYS A 15 16.340 -8.238 9.403 1.00 31.71 C ATOM 220 CG LYS A 15 17.632 -8.992 9.674 1.00 34.03 C ATOM 221 CD LYS A 15 18.809 -8.345 8.962 1.00 36.37 C ATOM 222 CE LYS A 15 18.409 -7.831 7.588 1.00 44.52 C ATOM 223 NZ LYS A 15 19.523 -7.103 6.922 1.00 45.37 N ATOM 224 HA LYS A 15 14.964 -9.887 9.376 1.00 0.00 H ATOM 225 HB2 LYS A 15 16.242 -8.102 8.326 1.00 0.00 H ATOM 226 HB3 LYS A 15 16.404 -7.263 9.887 1.00 0.00 H ATOM 227 HG2 LYS A 15 17.824 -8.995 10.747 1.00 0.00 H ATOM 228 HG3 LYS A 15 17.525 -10.018 9.323 1.00 0.00 H ATOM 229 HD2 LYS A 15 19.172 -7.510 9.562 1.00 0.00 H ATOM 230 HD3 LYS A 15 19.604 -9.082 8.848 1.00 0.00 H ATOM 231 HE2 LYS A 15 17.561 -7.155 7.697 1.00 0.00 H ATOM 232 HE3 LYS A 15 18.119 -8.677 6.966 1.00 0.00 H ATOM 233 HZ1 LYS A 15 19.802 -6.289 7.506 1.00 0.00 H ATOM 234 HZ2 LYS A 15 20.334 -7.743 6.807 1.00 0.00 H ATOM 235 HZ3 LYS A 15 19.208 -6.769 5.989 1.00 0.00 H ATOM 236 H LYS A 15 14.000 -7.100 9.601 1.00 0.00 H ATOM 237 N SER A 16 14.641 -8.418 12.239 1.00 32.42 N ATOM 238 CA SER A 16 14.507 -8.718 13.658 1.00 33.96 C ATOM 239 C SER A 16 13.464 -9.799 13.911 1.00 33.25 C ATOM 240 O SER A 16 13.372 -10.328 15.018 1.00 33.55 O ATOM 241 CB SER A 16 14.172 -7.450 14.450 1.00 36.51 C ATOM 242 OG SER A 16 13.165 -6.695 13.800 1.00 38.97 O ATOM 243 HA SER A 16 15.467 -9.101 14.003 1.00 0.00 H ATOM 244 HB2 SER A 16 15.071 -6.840 14.543 1.00 0.00 H ATOM 245 HB3 SER A 16 13.821 -7.732 15.443 1.00 0.00 H ATOM 246 HG SER A 16 13.481 -6.433 12.899 1.00 0.00 H ATOM 247 H SER A 16 14.267 -7.519 11.874 1.00 0.00 H ATOM 248 N ARG A 17 12.696 -10.133 12.874 1.00 33.18 N ATOM 249 CA ARG A 17 11.700 -11.200 12.951 1.00 30.12 C ATOM 250 C ARG A 17 12.038 -12.424 12.097 1.00 29.71 C ATOM 251 O ARG A 17 11.162 -13.235 11.797 1.00 30.32 O ATOM 252 CB ARG A 17 10.325 -10.663 12.573 1.00 28.51 C ATOM 253 CG ARG A 17 9.895 -9.462 13.402 1.00 33.23 C ATOM 254 CD ARG A 17 8.663 -8.822 12.815 1.00 29.61 C ATOM 255 NE ARG A 17 7.450 -9.558 13.150 1.00 27.72 N ATOM 256 CZ ARG A 17 6.236 -9.197 12.749 1.00 30.75 C ATOM 257 NH1 ARG A 17 6.083 -8.112 11.999 1.00 23.07 N ATOM 258 NH2 ARG A 17 5.178 -9.917 13.098 1.00 26.70 N ATOM 259 HA ARG A 17 11.700 -11.541 13.986 1.00 0.00 H ATOM 260 HB2 ARG A 17 10.345 -10.369 11.524 1.00 0.00 H ATOM 261 HB3 ARG A 17 9.593 -11.459 12.712 1.00 0.00 H ATOM 262 HG2 ARG A 17 9.679 -9.788 14.419 1.00 0.00 H ATOM 263 HG3 ARG A 17 10.704 -8.732 13.420 1.00 0.00 H ATOM 264 HD2 ARG A 17 8.766 -8.789 11.730 1.00 0.00 H ATOM 265 HD3 ARG A 17 8.576 -7.806 13.201 1.00 0.00 H ATOM 266 HE ARG A 17 7.540 -10.413 13.735 1.00 0.00 H ATOM 267 HH12 ARG A 17 5.134 -7.827 11.684 1.00 0.00 H ATOM 268 HH11 ARG A 17 6.913 -7.547 11.727 1.00 0.00 H ATOM 269 HH22 ARG A 17 4.229 -9.633 12.783 1.00 0.00 H ATOM 270 HH21 ARG A 17 5.298 -10.766 13.687 1.00 0.00 H ATOM 271 H ARG A 17 12.809 -9.616 11.979 1.00 0.00 H ATOM 272 N LEU A 18 13.309 -12.556 11.720 1.00 29.25 N ATOM 273 CA LEU A 18 13.773 -13.655 10.879 1.00 25.08 C ATOM 274 C LEU A 18 13.248 -15.019 11.328 1.00 24.88 C ATOM 275 O LEU A 18 12.795 -15.815 10.511 1.00 23.99 O ATOM 276 CB LEU A 18 15.303 -13.678 10.830 1.00 28.05 C ATOM 277 CG LEU A 18 15.936 -14.648 9.824 1.00 27.52 C ATOM 278 CD1 LEU A 18 15.639 -14.217 8.392 1.00 27.67 C ATOM 279 CD2 LEU A 18 17.434 -14.774 10.036 1.00 25.10 C ATOM 280 HA LEU A 18 13.371 -13.472 9.883 1.00 0.00 H ATOM 281 HB2 LEU A 18 15.643 -12.673 10.581 1.00 0.00 H ATOM 282 HB3 LEU A 18 15.663 -13.947 11.823 1.00 0.00 H ATOM 283 HG LEU A 18 15.489 -15.628 9.993 1.00 0.00 H ATOM 284 HD21 LEU A 18 17.901 -13.797 9.913 1.00 0.00 H ATOM 285 HD22 LEU A 18 17.627 -15.146 11.042 1.00 0.00 H ATOM 286 HD23 LEU A 18 17.846 -15.469 9.305 1.00 0.00 H ATOM 287 HD11 LEU A 18 14.561 -14.202 8.235 1.00 0.00 H ATOM 288 HD12 LEU A 18 16.046 -13.220 8.222 1.00 0.00 H ATOM 289 HD13 LEU A 18 16.099 -14.921 7.699 1.00 0.00 H ATOM 290 H LEU A 18 13.999 -11.846 12.038 1.00 0.00 H ATOM 291 N CYS A 19 13.321 -15.298 12.626 1.00 24.69 N ATOM 292 CA CYS A 19 13.019 -16.634 13.122 1.00 25.30 C ATOM 293 C CYS A 19 11.535 -16.989 13.027 1.00 24.27 C ATOM 294 O CYS A 19 11.189 -18.128 12.705 1.00 23.43 O ATOM 295 CB CYS A 19 13.542 -16.828 14.545 1.00 24.94 C ATOM 296 SG CYS A 19 15.351 -16.689 14.728 1.00 32.85 S ATOM 297 HA CYS A 19 13.543 -17.328 12.465 1.00 0.00 H ATOM 298 HB2 CYS A 19 13.243 -17.820 14.883 1.00 0.00 H ATOM 299 HB3 CYS A 19 13.079 -16.074 15.181 1.00 0.00 H ATOM 300 H CYS A 19 13.597 -14.552 13.296 1.00 0.00 H ATOM 301 N GLU A 20 10.669 -16.013 13.309 1.00 25.26 N ATOM 302 CA GLU A 20 9.253 -16.074 12.953 1.00 24.02 C ATOM 303 C GLU A 20 9.027 -16.475 11.502 1.00 23.32 C ATOM 304 O GLU A 20 8.343 -17.470 11.209 1.00 25.25 O ATOM 305 CB GLU A 20 8.584 -14.711 13.181 1.00 25.34 C ATOM 306 CG GLU A 20 8.519 -14.252 14.618 1.00 29.21 C ATOM 307 CD GLU A 20 7.840 -12.892 14.759 1.00 28.90 C ATOM 308 OE1 GLU A 20 6.726 -12.710 14.210 1.00 34.66 O ATOM 309 OE2 GLU A 20 8.430 -12.008 15.414 1.00 36.95 O ATOM 310 HA GLU A 20 8.812 -16.837 13.595 1.00 0.00 H ATOM 311 HB2 GLU A 20 9.140 -13.964 12.614 1.00 0.00 H ATOM 312 HB3 GLU A 20 7.564 -14.769 12.800 1.00 0.00 H ATOM 313 HG2 GLU A 20 7.958 -14.986 15.196 1.00 0.00 H ATOM 314 HG3 GLU A 20 9.533 -14.180 15.010 1.00 0.00 H ATOM 315 H GLU A 20 11.019 -15.169 13.806 1.00 0.00 H ATOM 316 N ILE A 21 9.568 -15.678 10.584 1.00 23.00 N ATOM 317 CA ILE A 21 9.515 -16.014 9.156 1.00 21.90 C ATOM 318 C ILE A 21 9.935 -17.470 8.878 1.00 22.64 C ATOM 319 O ILE A 21 9.247 -18.216 8.169 1.00 21.15 O ATOM 320 CB ILE A 21 10.390 -15.052 8.336 1.00 22.52 C ATOM 321 CG1 ILE A 21 9.977 -13.599 8.609 1.00 21.75 C ATOM 322 CG2 ILE A 21 10.272 -15.362 6.853 1.00 20.60 C ATOM 323 CD1 ILE A 21 10.863 -12.562 7.910 1.00 21.94 C ATOM 324 HA ILE A 21 8.475 -15.907 8.849 1.00 0.00 H ATOM 325 HB ILE A 21 11.429 -15.185 8.636 1.00 0.00 H ATOM 326 HG12 ILE A 21 8.952 -13.463 8.266 1.00 0.00 H ATOM 327 HG13 ILE A 21 10.025 -13.424 9.684 1.00 0.00 H ATOM 328 HD11 ILE A 21 11.892 -12.676 8.251 1.00 0.00 H ATOM 329 HD12 ILE A 21 10.817 -12.715 6.832 1.00 0.00 H ATOM 330 HD13 ILE A 21 10.508 -11.560 8.152 1.00 0.00 H ATOM 331 HG21 ILE A 21 10.600 -16.385 6.670 1.00 0.00 H ATOM 332 HG22 ILE A 21 9.233 -15.251 6.541 1.00 0.00 H ATOM 333 HG23 ILE A 21 10.898 -14.671 6.288 1.00 0.00 H ATOM 334 H ILE A 21 10.038 -14.800 10.884 1.00 0.00 H ATOM 335 N ARG A 22 11.065 -17.878 9.450 1.00 20.08 N ATOM 336 CA ARG A 22 11.667 -19.160 9.107 1.00 19.94 C ATOM 337 C ARG A 22 10.960 -20.331 9.811 1.00 22.55 C ATOM 338 O ARG A 22 11.277 -21.497 9.567 1.00 23.71 O ATOM 339 CB ARG A 22 13.175 -19.142 9.418 1.00 19.31 C ATOM 340 CG ARG A 22 14.024 -18.269 8.457 1.00 24.18 C ATOM 341 CD ARG A 22 15.556 -18.463 8.673 1.00 19.48 C ATOM 342 NE ARG A 22 15.941 -19.845 8.391 1.00 22.02 N ATOM 343 CZ ARG A 22 16.216 -20.318 7.175 1.00 18.91 C ATOM 344 NH1 ARG A 22 16.197 -19.520 6.121 1.00 19.62 N ATOM 345 NH2 ARG A 22 16.530 -21.592 7.014 1.00 19.46 N ATOM 346 HA ARG A 22 11.539 -19.316 8.036 1.00 0.00 H ATOM 347 HB2 ARG A 22 13.309 -18.761 10.431 1.00 0.00 H ATOM 348 HB3 ARG A 22 13.545 -20.166 9.364 1.00 0.00 H ATOM 349 HG2 ARG A 22 13.778 -18.539 7.430 1.00 0.00 H ATOM 350 HG3 ARG A 22 13.777 -17.221 8.625 1.00 0.00 H ATOM 351 HD2 ARG A 22 15.806 -18.224 9.707 1.00 0.00 H ATOM 352 HD3 ARG A 22 16.100 -17.795 8.005 1.00 0.00 H ATOM 353 HE ARG A 22 16.005 -20.504 9.193 1.00 0.00 H ATOM 354 HH12 ARG A 22 16.413 -19.900 5.177 1.00 0.00 H ATOM 355 HH11 ARG A 22 15.966 -18.513 6.236 1.00 0.00 H ATOM 356 HH22 ARG A 22 16.744 -21.959 6.065 1.00 0.00 H ATOM 357 HH21 ARG A 22 16.563 -22.227 7.837 1.00 0.00 H ATOM 358 H ARG A 22 11.528 -17.270 10.156 1.00 0.00 H ATOM 359 N ARG A 23 10.007 -20.004 10.684 1.00 25.18 N ATOM 360 CA ARG A 23 9.127 -20.988 11.321 1.00 25.54 C ATOM 361 C ARG A 23 7.863 -21.175 10.489 1.00 23.79 C ATOM 362 O ARG A 23 6.968 -21.905 10.899 1.00 23.92 O ATOM 363 CB ARG A 23 8.691 -20.498 12.718 1.00 24.11 C ATOM 364 CG ARG A 23 9.763 -20.581 13.782 1.00 28.88 C ATOM 365 CD ARG A 23 9.182 -20.601 15.201 1.00 31.10 C ATOM 366 NE ARG A 23 8.393 -19.417 15.549 1.00 35.88 N ATOM 367 CZ ARG A 23 8.891 -18.311 16.106 1.00 37.34 C ATOM 368 NH1 ARG A 23 10.187 -18.216 16.351 1.00 39.53 N ATOM 369 NH2 ARG A 23 8.093 -17.292 16.405 1.00 36.20 N ATOM 370 HA ARG A 23 9.679 -21.924 11.402 1.00 0.00 H ATOM 371 HB2 ARG A 23 8.379 -19.457 12.631 1.00 0.00 H ATOM 372 HB3 ARG A 23 7.844 -21.104 13.041 1.00 0.00 H ATOM 373 HG2 ARG A 23 10.340 -21.493 13.627 1.00 0.00 H ATOM 374 HG3 ARG A 23 10.420 -19.716 13.685 1.00 0.00 H ATOM 375 HD2 ARG A 23 10.009 -20.680 15.907 1.00 0.00 H ATOM 376 HD3 ARG A 23 8.541 -21.478 15.295 1.00 0.00 H ATOM 377 HE ARG A 23 7.373 -19.440 15.348 1.00 0.00 H ATOM 378 HH12 ARG A 23 10.572 -17.353 16.785 1.00 0.00 H ATOM 379 HH11 ARG A 23 10.821 -19.004 16.110 1.00 0.00 H ATOM 380 HH22 ARG A 23 8.487 -16.433 16.839 1.00 0.00 H ATOM 381 HH21 ARG A 23 7.074 -17.353 16.205 1.00 0.00 H ATOM 382 H ARG A 23 9.882 -19.000 10.925 1.00 0.00 H ATOM 383 N TYR A 24 7.795 -20.491 9.344 1.00 23.90 N ATOM 384 CA TYR A 24 6.610 -20.465 8.481 1.00 22.68 C ATOM 385 C TYR A 24 5.437 -19.698 9.084 1.00 27.90 C ATOM 386 O TYR A 24 4.272 -19.862 8.675 1.00 29.97 O ATOM 387 CB TYR A 24 6.175 -21.881 8.087 1.00 22.55 C ATOM 388 CG TYR A 24 7.189 -22.630 7.242 1.00 22.72 C ATOM 389 CD1 TYR A 24 7.210 -22.487 5.858 1.00 19.82 C ATOM 390 CD2 TYR A 24 8.119 -23.485 7.831 1.00 17.58 C ATOM 391 CE1 TYR A 24 8.146 -23.170 5.070 1.00 21.43 C ATOM 392 CE2 TYR A 24 9.049 -24.198 7.045 1.00 17.20 C ATOM 393 CZ TYR A 24 9.058 -24.020 5.675 1.00 20.36 C ATOM 394 OH TYR A 24 9.972 -24.703 4.903 1.00 20.45 O ATOM 395 HA TYR A 24 6.912 -19.924 7.584 1.00 0.00 H ATOM 396 HB3 TYR A 24 5.245 -21.809 7.522 1.00 0.00 H ATOM 397 HB2 TYR A 24 6.001 -22.452 8.999 1.00 0.00 H ATOM 398 HD2 TYR A 24 8.128 -23.605 8.914 1.00 0.00 H ATOM 399 HE2 TYR A 24 9.754 -24.883 7.515 1.00 0.00 H ATOM 400 HE1 TYR A 24 8.157 -23.034 3.989 1.00 0.00 H ATOM 401 HD1 TYR A 24 6.484 -21.831 5.377 1.00 0.00 H ATOM 402 HH TYR A 24 9.839 -25.677 5.020 1.00 0.00 H ATOM 403 H TYR A 24 8.630 -19.946 9.048 1.00 0.00 H ATOM 404 N GLU A 25 5.729 -18.843 10.053 1.00 28.33 N ATOM 405 CA GLU A 25 4.682 -18.019 10.610 1.00 27.08 C ATOM 406 C GLU A 25 4.270 -16.929 9.626 1.00 26.73 C ATOM 407 O GLU A 25 5.100 -16.425 8.873 1.00 26.05 O ATOM 408 CB GLU A 25 5.100 -17.487 11.982 1.00 29.70 C ATOM 409 CG GLU A 25 5.043 -18.587 13.036 1.00 32.50 C ATOM 410 CD GLU A 25 5.766 -18.236 14.318 1.00 39.95 C ATOM 411 OE1 GLU A 25 5.995 -17.038 14.570 1.00 41.89 O ATOM 412 OE2 GLU A 25 6.109 -19.169 15.075 1.00 41.38 O ATOM 413 HA GLU A 25 3.789 -18.622 10.774 1.00 0.00 H ATOM 414 HB2 GLU A 25 6.119 -17.104 11.921 1.00 0.00 H ATOM 415 HB3 GLU A 25 4.427 -16.680 12.272 1.00 0.00 H ATOM 416 HG2 GLU A 25 3.997 -18.784 13.273 1.00 0.00 H ATOM 417 HG3 GLU A 25 5.496 -19.487 12.620 1.00 0.00 H ATOM 418 H GLU A 25 6.703 -18.766 10.409 1.00 0.00 H ATOM 419 N ILE A 26 2.978 -16.610 9.583 1.00 27.46 N ATOM 420 CA ILE A 26 2.477 -15.703 8.556 1.00 28.43 C ATOM 421 C ILE A 26 2.629 -14.249 9.006 1.00 28.94 C ATOM 422 O ILE A 26 2.131 -13.846 10.067 1.00 27.96 O ATOM 423 CB ILE A 26 1.003 -15.984 8.164 1.00 28.52 C ATOM 424 CG1 ILE A 26 0.805 -17.430 7.683 1.00 26.76 C ATOM 425 CG2 ILE A 26 0.538 -15.003 7.097 1.00 28.71 C ATOM 426 CD1 ILE A 26 1.844 -17.929 6.667 1.00 25.44 C ATOM 427 HA ILE A 26 3.082 -15.879 7.667 1.00 0.00 H ATOM 428 HB ILE A 26 0.396 -15.848 9.059 1.00 0.00 H ATOM 429 HG12 ILE A 26 0.844 -18.084 8.554 1.00 0.00 H ATOM 430 HG13 ILE A 26 -0.180 -17.500 7.221 1.00 0.00 H ATOM 431 HD11 ILE A 26 1.813 -17.299 5.778 1.00 0.00 H ATOM 432 HD12 ILE A 26 2.838 -17.883 7.113 1.00 0.00 H ATOM 433 HD13 ILE A 26 1.616 -18.959 6.392 1.00 0.00 H ATOM 434 HG21 ILE A 26 0.615 -13.986 7.482 1.00 0.00 H ATOM 435 HG22 ILE A 26 1.166 -15.106 6.212 1.00 0.00 H ATOM 436 HG23 ILE A 26 -0.498 -15.217 6.836 1.00 0.00 H ATOM 437 H ILE A 26 2.323 -17.009 10.285 1.00 0.00 H ATOM 438 N ILE A 27 3.332 -13.466 8.198 1.00 28.10 N ATOM 439 CA ILE A 27 3.456 -12.034 8.445 1.00 30.01 C ATOM 440 C ILE A 27 2.953 -11.272 7.217 1.00 29.66 C ATOM 441 O ILE A 27 3.354 -11.568 6.089 1.00 29.03 O ATOM 442 CB ILE A 27 4.921 -11.646 8.761 1.00 29.14 C ATOM 443 CG1 ILE A 27 5.420 -12.393 10.006 1.00 30.25 C ATOM 444 CG2 ILE A 27 5.049 -10.153 8.928 1.00 31.27 C ATOM 445 CD1 ILE A 27 6.838 -12.041 10.433 1.00 28.73 C ATOM 446 HA ILE A 27 2.853 -11.770 9.314 1.00 0.00 H ATOM 447 HB ILE A 27 5.549 -11.942 7.921 1.00 0.00 H ATOM 448 HG12 ILE A 27 4.749 -12.162 10.833 1.00 0.00 H ATOM 449 HG13 ILE A 27 5.383 -13.462 9.798 1.00 0.00 H ATOM 450 HD11 ILE A 27 7.529 -12.278 9.624 1.00 0.00 H ATOM 451 HD12 ILE A 27 6.894 -10.976 10.660 1.00 0.00 H ATOM 452 HD13 ILE A 27 7.103 -12.617 11.320 1.00 0.00 H ATOM 453 HG21 ILE A 27 4.742 -9.658 8.007 1.00 0.00 H ATOM 454 HG22 ILE A 27 4.411 -9.824 9.748 1.00 0.00 H ATOM 455 HG23 ILE A 27 6.086 -9.901 9.150 1.00 0.00 H ATOM 456 H ILE A 27 3.805 -13.882 7.371 1.00 0.00 H ATOM 457 N GLU A 28 2.055 -10.314 7.437 1.00 28.83 N ATOM 458 CA GLU A 28 1.436 -9.580 6.335 1.00 30.64 C ATOM 459 C GLU A 28 2.197 -8.314 5.932 1.00 30.76 C ATOM 460 O GLU A 28 3.156 -7.898 6.589 1.00 29.50 O ATOM 461 CB GLU A 28 -0.019 -9.216 6.659 1.00 31.53 C ATOM 462 CG GLU A 28 -0.900 -10.394 7.030 1.00 35.66 C ATOM 463 CD GLU A 28 -1.226 -11.294 5.849 1.00 40.73 C ATOM 464 OE1 GLU A 28 -0.842 -10.965 4.702 1.00 40.73 O ATOM 465 OE2 GLU A 28 -1.873 -12.336 6.080 1.00 38.54 O ATOM 466 HA GLU A 28 1.470 -10.261 5.484 1.00 0.00 H ATOM 467 HB2 GLU A 28 -0.016 -8.517 7.495 1.00 0.00 H ATOM 468 HB3 GLU A 28 -0.451 -8.731 5.784 1.00 0.00 H ATOM 469 HG2 GLU A 28 -0.386 -10.987 7.786 1.00 0.00 H ATOM 470 HG3 GLU A 28 -1.834 -10.012 7.443 1.00 0.00 H ATOM 471 H GLU A 28 1.788 -10.083 8.415 1.00 0.00 H ATOM 472 N GLY A 29 1.741 -7.705 4.842 1.00 31.54 N ATOM 473 CA GLY A 29 2.265 -6.429 4.389 1.00 31.69 C ATOM 474 C GLY A 29 3.267 -6.628 3.275 1.00 32.76 C ATOM 475 O GLY A 29 3.627 -7.765 2.949 1.00 32.95 O ATOM 476 HA3 GLY A 29 2.753 -5.926 5.224 1.00 0.00 H ATOM 477 HA2 GLY A 29 1.443 -5.813 4.025 1.00 0.00 H ATOM 478 H GLY A 29 0.982 -8.159 4.294 1.00 0.00 H ATOM 479 N PRO A 30 3.675 -5.525 2.634 1.00 33.47 N ATOM 480 CA PRO A 30 4.119 -5.571 1.249 1.00 32.94 C ATOM 481 C PRO A 30 5.630 -5.760 1.239 1.00 32.02 C ATOM 482 O PRO A 30 6.219 -6.089 0.205 1.00 31.10 O ATOM 483 CB PRO A 30 3.748 -4.185 0.720 1.00 33.24 C ATOM 484 CG PRO A 30 3.698 -3.287 1.943 1.00 33.77 C ATOM 485 CD PRO A 30 3.692 -4.156 3.180 1.00 35.22 C ATOM 486 HA PRO A 30 3.680 -6.374 0.657 1.00 0.00 H ATOM 487 HD3 PRO A 30 4.585 -3.986 3.781 1.00 0.00 H ATOM 488 HD2 PRO A 30 2.806 -3.966 3.786 1.00 0.00 H ATOM 489 HG3 PRO A 30 2.793 -2.680 1.916 1.00 0.00 H ATOM 490 HG2 PRO A 30 4.571 -2.635 1.956 1.00 0.00 H ATOM 491 HB2 PRO A 30 4.502 -3.831 0.017 1.00 0.00 H ATOM 492 HB3 PRO A 30 2.777 -4.212 0.226 1.00 0.00 H ATOM 493 N GLU A 31 6.237 -5.551 2.405 1.00 31.35 N ATOM 494 CA GLU A 31 7.606 -5.970 2.674 1.00 31.32 C ATOM 495 C GLU A 31 7.738 -7.480 2.678 1.00 30.68 C ATOM 496 O GLU A 31 8.665 -8.031 2.085 1.00 30.38 O ATOM 497 CB GLU A 31 8.070 -5.409 4.017 1.00 32.84 C ATOM 498 CG GLU A 31 8.217 -3.905 4.001 1.00 38.43 C ATOM 499 CD GLU A 31 9.242 -3.467 2.979 1.00 45.92 C ATOM 500 OE1 GLU A 31 10.380 -3.991 3.012 1.00 48.35 O ATOM 501 OE2 GLU A 31 8.902 -2.619 2.126 1.00 50.00 O ATOM 502 HA GLU A 31 8.235 -5.579 1.875 1.00 0.00 H ATOM 503 HB2 GLU A 31 7.340 -5.680 4.780 1.00 0.00 H ATOM 504 HB3 GLU A 31 9.035 -5.851 4.266 1.00 0.00 H ATOM 505 HG2 GLU A 31 7.255 -3.456 3.755 1.00 0.00 H ATOM 506 HG3 GLU A 31 8.532 -3.568 4.988 1.00 0.00 H ATOM 507 H GLU A 31 5.710 -5.066 3.159 1.00 0.00 H ATOM 508 N MET A 32 6.808 -8.142 3.358 1.00 29.26 N ATOM 509 CA MET A 32 6.751 -9.596 3.364 1.00 28.18 C ATOM 510 C MET A 32 6.368 -10.145 1.988 1.00 27.57 C ATOM 511 O MET A 32 6.849 -11.208 1.582 1.00 27.46 O ATOM 512 CB MET A 32 5.768 -10.085 4.432 1.00 29.38 C ATOM 513 CG MET A 32 6.389 -10.331 5.801 1.00 28.24 C ATOM 514 SD MET A 32 7.738 -11.549 5.788 1.00 31.65 S ATOM 515 CE MET A 32 6.848 -13.097 5.619 1.00 24.02 C ATOM 516 HA MET A 32 7.746 -9.971 3.604 1.00 0.00 H ATOM 517 HB2 MET A 32 4.985 -9.334 4.543 1.00 0.00 H ATOM 518 HB3 MET A 32 5.327 -11.020 4.086 1.00 0.00 H ATOM 519 HG2 MET A 32 5.609 -10.689 6.473 1.00 0.00 H ATOM 520 HG3 MET A 32 6.783 -9.386 6.175 1.00 0.00 H ATOM 521 HE1 MET A 32 6.171 -13.220 6.465 1.00 0.00 H ATOM 522 HE2 MET A 32 6.275 -13.086 4.692 1.00 0.00 H ATOM 523 HE3 MET A 32 7.559 -13.923 5.598 1.00 0.00 H ATOM 524 H MET A 32 6.101 -7.606 3.901 1.00 0.00 H ATOM 525 N ASP A 33 5.507 -9.420 1.281 1.00 26.81 N ATOM 526 CA ASP A 33 5.055 -9.840 -0.040 1.00 25.41 C ATOM 527 C ASP A 33 6.228 -9.975 -1.006 1.00 25.50 C ATOM 528 O ASP A 33 6.164 -10.736 -1.971 1.00 25.36 O ATOM 529 CB ASP A 33 4.029 -8.850 -0.595 1.00 28.48 C ATOM 530 CG ASP A 33 2.646 -9.054 -0.006 1.00 26.82 C ATOM 531 OD1 ASP A 33 2.376 -10.158 0.511 1.00 31.70 O ATOM 532 OD2 ASP A 33 1.830 -8.110 -0.062 1.00 32.91 O ATOM 533 HA ASP A 33 4.584 -10.817 0.064 1.00 0.00 H ATOM 534 HB2 ASP A 33 4.361 -7.837 -0.366 1.00 0.00 H ATOM 535 HB3 ASP A 33 3.971 -8.976 -1.676 1.00 0.00 H ATOM 536 H ASP A 33 5.146 -8.530 1.680 1.00 0.00 H ATOM 537 N LYS A 34 7.296 -9.232 -0.739 1.00 25.32 N ATOM 538 CA LYS A 34 8.399 -9.108 -1.685 1.00 26.52 C ATOM 539 C LYS A 34 9.608 -9.921 -1.232 1.00 25.42 C ATOM 540 O LYS A 34 10.461 -10.284 -2.041 1.00 27.96 O ATOM 541 CB LYS A 34 8.790 -7.640 -1.864 1.00 28.28 C ATOM 542 CG LYS A 34 9.923 -7.415 -2.852 1.00 35.95 C ATOM 543 CD LYS A 34 9.506 -7.788 -4.265 1.00 44.13 C ATOM 544 CE LYS A 34 10.623 -7.520 -5.259 1.00 45.39 C ATOM 545 NZ LYS A 34 10.228 -7.877 -6.649 1.00 42.15 N ATOM 546 HA LYS A 34 8.062 -9.503 -2.643 1.00 0.00 H ATOM 547 HB2 LYS A 34 7.915 -7.093 -2.216 1.00 0.00 H ATOM 548 HB3 LYS A 34 9.097 -7.247 -0.895 1.00 0.00 H ATOM 549 HG2 LYS A 34 10.209 -6.363 -2.832 1.00 0.00 H ATOM 550 HG3 LYS A 34 10.776 -8.027 -2.560 1.00 0.00 H ATOM 551 HD2 LYS A 34 9.252 -8.848 -4.293 1.00 0.00 H ATOM 552 HD3 LYS A 34 8.632 -7.199 -4.545 1.00 0.00 H ATOM 553 HE2 LYS A 34 11.495 -8.111 -4.977 1.00 0.00 H ATOM 554 HE3 LYS A 34 10.878 -6.461 -5.226 1.00 0.00 H ATOM 555 HZ1 LYS A 34 9.990 -8.888 -6.691 1.00 0.00 H ATOM 556 HZ2 LYS A 34 9.400 -7.313 -6.929 1.00 0.00 H ATOM 557 HZ3 LYS A 34 11.019 -7.679 -7.295 1.00 0.00 H ATOM 558 H LYS A 34 7.347 -8.726 0.168 1.00 0.00 H ATOM 559 N HIS A 35 9.673 -10.202 0.065 1.00 24.52 N ATOM 560 CA HIS A 35 10.545 -11.265 0.581 1.00 24.57 C ATOM 561 C HIS A 35 10.122 -12.645 0.049 1.00 22.34 C ATOM 562 O HIS A 35 10.919 -13.368 -0.547 1.00 22.29 O ATOM 563 CB HIS A 35 10.561 -11.257 2.117 1.00 24.69 C ATOM 564 CG HIS A 35 11.533 -12.225 2.724 1.00 23.01 C ATOM 565 ND1 HIS A 35 12.873 -12.242 2.399 1.00 19.19 N ATOM 566 CD2 HIS A 35 11.361 -13.201 3.649 1.00 21.34 C ATOM 567 CE1 HIS A 35 13.484 -13.180 3.097 1.00 14.58 C ATOM 568 NE2 HIS A 35 12.587 -13.785 3.855 1.00 20.61 N ATOM 569 HA HIS A 35 11.556 -11.067 0.224 1.00 0.00 H ATOM 570 HB2 HIS A 35 10.823 -10.253 2.452 1.00 0.00 H ATOM 571 HB3 HIS A 35 9.561 -11.508 2.471 1.00 0.00 H ATOM 572 HD2 HIS A 35 10.425 -13.472 4.138 1.00 0.00 H ATOM 573 HE1 HIS A 35 14.547 -13.416 3.055 1.00 0.00 H ATOM 574 H HIS A 35 9.092 -9.655 0.732 1.00 0.00 H ATOM 575 N ILE A 36 8.858 -12.990 0.251 1.00 23.22 N ATOM 576 CA ILE A 36 8.341 -14.295 -0.142 1.00 24.37 C ATOM 577 C ILE A 36 8.346 -14.518 -1.651 1.00 25.23 C ATOM 578 O ILE A 36 8.453 -15.662 -2.115 1.00 24.26 O ATOM 579 CB ILE A 36 6.926 -14.537 0.416 1.00 23.80 C ATOM 580 CG1 ILE A 36 6.953 -14.462 1.940 1.00 24.18 C ATOM 581 CG2 ILE A 36 6.385 -15.882 -0.057 1.00 21.16 C ATOM 582 CD1 ILE A 36 8.098 -15.240 2.564 1.00 17.74 C ATOM 583 HA ILE A 36 9.028 -15.020 0.296 1.00 0.00 H ATOM 584 HB ILE A 36 6.258 -13.761 0.042 1.00 0.00 H ATOM 585 HG12 ILE A 36 7.046 -13.416 2.233 1.00 0.00 H ATOM 586 HG13 ILE A 36 6.014 -14.863 2.322 1.00 0.00 H ATOM 587 HD11 ILE A 36 8.013 -16.291 2.290 1.00 0.00 H ATOM 588 HD12 ILE A 36 9.046 -14.844 2.200 1.00 0.00 H ATOM 589 HD13 ILE A 36 8.054 -15.142 3.649 1.00 0.00 H ATOM 590 HG21 ILE A 36 6.342 -15.892 -1.146 1.00 0.00 H ATOM 591 HG22 ILE A 36 7.043 -16.679 0.290 1.00 0.00 H ATOM 592 HG23 ILE A 36 5.385 -16.033 0.349 1.00 0.00 H ATOM 593 H ILE A 36 8.216 -12.309 0.704 1.00 0.00 H ATOM 594 N HIS A 37 8.236 -13.436 -2.420 1.00 24.92 N ATOM 595 CA HIS A 37 8.424 -13.552 -3.864 1.00 26.37 C ATOM 596 C HIS A 37 9.877 -13.857 -4.200 1.00 27.50 C ATOM 597 O HIS A 37 10.163 -14.766 -4.987 1.00 28.38 O ATOM 598 CB HIS A 37 7.962 -12.299 -4.623 1.00 25.59 C ATOM 599 CG HIS A 37 8.185 -12.391 -6.102 1.00 22.74 C ATOM 600 ND1 HIS A 37 7.212 -12.825 -6.977 1.00 19.00 N ATOM 601 CD2 HIS A 37 9.285 -12.148 -6.854 1.00 24.27 C ATOM 602 CE1 HIS A 37 7.696 -12.825 -8.207 1.00 23.46 C ATOM 603 NE2 HIS A 37 8.954 -12.423 -8.159 1.00 24.98 N ATOM 604 HA HIS A 37 7.797 -14.382 -4.191 1.00 0.00 H ATOM 605 HB2 HIS A 37 6.897 -12.156 -4.441 1.00 0.00 H ATOM 606 HB3 HIS A 37 8.513 -11.439 -4.242 1.00 0.00 H ATOM 607 HD2 HIS A 37 10.252 -11.799 -6.492 1.00 0.00 H ATOM 608 HE1 HIS A 37 7.151 -13.108 -9.107 1.00 0.00 H ATOM 609 H HIS A 37 8.017 -12.513 -1.994 1.00 0.00 H ATOM 610 N CYS A 38 10.787 -13.093 -3.597 1.00 25.94 N ATOM 611 CA CYS A 38 12.218 -13.371 -3.685 1.00 26.27 C ATOM 612 C CYS A 38 12.561 -14.830 -3.364 1.00 25.93 C ATOM 613 O CYS A 38 13.277 -15.485 -4.127 1.00 26.16 O ATOM 614 CB CYS A 38 13.007 -12.408 -2.786 1.00 28.39 C ATOM 615 SG CYS A 38 14.824 -12.441 -2.949 1.00 27.68 S ATOM 616 HA CYS A 38 12.512 -13.208 -4.722 1.00 0.00 H ATOM 617 HB2 CYS A 38 12.763 -12.647 -1.751 1.00 0.00 H ATOM 618 HB3 CYS A 38 12.673 -11.395 -3.012 1.00 0.00 H ATOM 619 H CYS A 38 10.468 -12.271 -3.045 1.00 0.00 H ATOM 620 N VAL A 39 12.057 -15.347 -2.244 1.00 26.94 N ATOM 621 CA VAL A 39 12.410 -16.710 -1.839 1.00 23.77 C ATOM 622 C VAL A 39 11.736 -17.813 -2.648 1.00 22.21 C ATOM 623 O VAL A 39 12.376 -18.787 -3.013 1.00 21.00 O ATOM 624 CB VAL A 39 12.321 -16.979 -0.306 1.00 28.01 C ATOM 625 CG1 VAL A 39 12.673 -15.755 0.504 1.00 20.30 C ATOM 626 CG2 VAL A 39 10.993 -17.597 0.097 1.00 26.79 C ATOM 627 HA VAL A 39 13.469 -16.759 -2.091 1.00 0.00 H ATOM 628 HB VAL A 39 13.078 -17.727 -0.071 1.00 0.00 H ATOM 629 HG11 VAL A 39 13.692 -15.447 0.270 1.00 0.00 H ATOM 630 HG12 VAL A 39 11.983 -14.948 0.259 1.00 0.00 H ATOM 631 HG13 VAL A 39 12.597 -15.989 1.566 1.00 0.00 H ATOM 632 HG21 VAL A 39 10.182 -16.921 -0.175 1.00 0.00 H ATOM 633 HG22 VAL A 39 10.864 -18.548 -0.420 1.00 0.00 H ATOM 634 HG23 VAL A 39 10.983 -17.764 1.174 1.00 0.00 H ATOM 635 H VAL A 39 11.412 -14.782 -1.656 1.00 0.00 H ATOM 636 N MET A 40 10.452 -17.652 -2.947 1.00 22.42 N ATOM 637 CA MET A 40 9.772 -18.583 -3.840 1.00 22.74 C ATOM 638 C MET A 40 10.390 -18.685 -5.238 1.00 22.33 C ATOM 639 O MET A 40 10.364 -19.759 -5.843 1.00 21.87 O ATOM 640 CB MET A 40 8.268 -18.285 -3.917 1.00 24.43 C ATOM 641 CG MET A 40 7.513 -18.481 -2.603 1.00 17.57 C ATOM 642 SD MET A 40 7.419 -20.198 -2.038 1.00 23.03 S ATOM 643 CE MET A 40 5.975 -20.745 -3.009 1.00 18.10 C ATOM 644 HA MET A 40 9.913 -19.566 -3.390 1.00 0.00 H ATOM 645 HB2 MET A 40 8.142 -17.249 -4.231 1.00 0.00 H ATOM 646 HB3 MET A 40 7.828 -18.945 -4.664 1.00 0.00 H ATOM 647 HG2 MET A 40 6.497 -18.110 -2.736 1.00 0.00 H ATOM 648 HG3 MET A 40 8.014 -17.896 -1.832 1.00 0.00 H ATOM 649 HE1 MET A 40 5.110 -20.137 -2.745 1.00 0.00 H ATOM 650 HE2 MET A 40 6.190 -20.632 -4.072 1.00 0.00 H ATOM 651 HE3 MET A 40 5.766 -21.792 -2.788 1.00 0.00 H ATOM 652 H MET A 40 9.926 -16.853 -2.540 1.00 0.00 H ATOM 653 N ARG A 41 10.954 -17.585 -5.745 1.00 23.98 N ATOM 654 CA ARG A 41 11.725 -17.626 -6.993 1.00 24.39 C ATOM 655 C ARG A 41 13.078 -18.293 -6.804 1.00 25.20 C ATOM 656 O ARG A 41 13.498 -19.088 -7.637 1.00 26.90 O ATOM 657 CB ARG A 41 11.932 -16.221 -7.583 1.00 28.90 C ATOM 658 CG ARG A 41 10.689 -15.573 -8.177 1.00 25.31 C ATOM 659 CD ARG A 41 10.281 -16.227 -9.475 1.00 27.17 C ATOM 660 NE ARG A 41 11.176 -15.888 -10.576 1.00 31.55 N ATOM 661 CZ ARG A 41 11.313 -16.623 -11.675 1.00 33.08 C ATOM 662 NH1 ARG A 41 10.612 -17.739 -11.813 1.00 36.43 N ATOM 663 NH2 ARG A 41 12.145 -16.246 -12.637 1.00 27.78 N ATOM 664 HA ARG A 41 11.135 -18.220 -7.691 1.00 0.00 H ATOM 665 HB2 ARG A 41 12.302 -15.573 -6.788 1.00 0.00 H ATOM 666 HB3 ARG A 41 12.683 -16.294 -8.370 1.00 0.00 H ATOM 667 HG2 ARG A 41 9.869 -15.662 -7.464 1.00 0.00 H ATOM 668 HG3 ARG A 41 10.895 -14.519 -8.362 1.00 0.00 H ATOM 669 HD2 ARG A 41 9.273 -15.900 -9.730 1.00 0.00 H ATOM 670 HD3 ARG A 41 10.287 -17.308 -9.339 1.00 0.00 H ATOM 671 HE ARG A 41 11.741 -15.019 -10.496 1.00 0.00 H ATOM 672 HH12 ARG A 41 10.717 -18.316 -12.672 1.00 0.00 H ATOM 673 HH11 ARG A 41 9.957 -18.038 -11.063 1.00 0.00 H ATOM 674 HH22 ARG A 41 12.247 -16.827 -13.494 1.00 0.00 H ATOM 675 HH21 ARG A 41 12.696 -15.370 -12.534 1.00 0.00 H ATOM 676 H ARG A 41 10.844 -16.680 -5.244 1.00 0.00 H ATOM 677 N ALA A 42 13.762 -17.959 -5.708 1.00 24.85 N ATOM 678 CA ALA A 42 15.021 -18.611 -5.346 1.00 22.86 C ATOM 679 C ALA A 42 14.895 -20.141 -5.270 1.00 26.20 C ATOM 680 O ALA A 42 15.818 -20.867 -5.655 1.00 24.09 O ATOM 681 CB ALA A 42 15.539 -18.062 -4.020 1.00 23.52 C ATOM 682 HA ALA A 42 15.734 -18.386 -6.139 1.00 0.00 H ATOM 683 HB1 ALA A 42 15.707 -16.989 -4.113 1.00 0.00 H ATOM 684 HB2 ALA A 42 14.803 -18.249 -3.238 1.00 0.00 H ATOM 685 HB3 ALA A 42 16.476 -18.557 -3.765 1.00 0.00 H ATOM 686 H ALA A 42 13.388 -17.210 -5.091 1.00 0.00 H ATOM 687 N LEU A 43 13.759 -20.622 -4.762 1.00 23.96 N ATOM 688 CA LEU A 43 13.514 -22.060 -4.635 1.00 24.61 C ATOM 689 C LEU A 43 12.826 -22.640 -5.865 1.00 25.09 C ATOM 690 O LEU A 43 12.599 -23.845 -5.951 1.00 25.28 O ATOM 691 CB LEU A 43 12.690 -22.362 -3.383 1.00 21.74 C ATOM 692 CG LEU A 43 13.386 -21.951 -2.087 1.00 23.48 C ATOM 693 CD1 LEU A 43 12.463 -22.018 -0.880 1.00 24.29 C ATOM 694 CD2 LEU A 43 14.670 -22.775 -1.882 1.00 20.36 C ATOM 695 HA LEU A 43 14.489 -22.539 -4.546 1.00 0.00 H ATOM 696 HB2 LEU A 43 11.744 -21.825 -3.453 1.00 0.00 H ATOM 697 HB3 LEU A 43 12.496 -23.434 -3.347 1.00 0.00 H ATOM 698 HG LEU A 43 13.668 -20.903 -2.184 1.00 0.00 H ATOM 699 HD21 LEU A 43 14.416 -23.834 -1.829 1.00 0.00 H ATOM 700 HD22 LEU A 43 15.347 -22.604 -2.719 1.00 0.00 H ATOM 701 HD23 LEU A 43 15.153 -22.469 -0.954 1.00 0.00 H ATOM 702 HD11 LEU A 43 11.617 -21.348 -1.033 1.00 0.00 H ATOM 703 HD12 LEU A 43 12.101 -23.039 -0.757 1.00 0.00 H ATOM 704 HD13 LEU A 43 13.011 -21.715 0.012 1.00 0.00 H ATOM 705 H LEU A 43 13.025 -19.956 -4.447 1.00 0.00 H ATOM 706 N ASP A 44 12.493 -21.775 -6.815 1.00 27.56 N ATOM 707 CA ASP A 44 11.948 -22.219 -8.088 1.00 27.24 C ATOM 708 C ASP A 44 10.562 -22.846 -7.927 1.00 27.16 C ATOM 709 O ASP A 44 10.250 -23.841 -8.581 1.00 25.83 O ATOM 710 CB ASP A 44 12.903 -23.226 -8.733 1.00 29.86 C ATOM 711 CG ASP A 44 12.795 -23.246 -10.239 1.00 34.99 C ATOM 712 OD1 ASP A 44 12.356 -22.227 -10.817 1.00 41.72 O ATOM 713 OD2 ASP A 44 13.152 -24.278 -10.845 1.00 42.22 O ATOM 714 HA ASP A 44 11.842 -21.344 -8.729 1.00 0.00 H ATOM 715 HB2 ASP A 44 13.925 -22.963 -8.459 1.00 0.00 H ATOM 716 HB3 ASP A 44 12.671 -24.221 -8.353 1.00 0.00 H ATOM 717 H ASP A 44 12.625 -20.757 -6.645 1.00 0.00 H ATOM 718 N PHE A 45 9.737 -22.257 -7.061 1.00 24.59 N ATOM 719 CA PHE A 45 8.379 -22.734 -6.838 1.00 23.82 C ATOM 720 C PHE A 45 7.317 -21.910 -7.602 1.00 24.61 C ATOM 721 O PHE A 45 6.206 -22.384 -7.838 1.00 21.58 O ATOM 722 CB PHE A 45 8.054 -22.754 -5.333 1.00 22.47 C ATOM 723 CG PHE A 45 8.801 -23.817 -4.544 1.00 20.45 C ATOM 724 CD1 PHE A 45 9.168 -25.020 -5.129 1.00 18.86 C ATOM 725 CD2 PHE A 45 9.131 -23.599 -3.211 1.00 21.07 C ATOM 726 CE1 PHE A 45 9.870 -25.987 -4.406 1.00 17.30 C ATOM 727 CE2 PHE A 45 9.808 -24.571 -2.465 1.00 16.26 C ATOM 728 CZ PHE A 45 10.178 -25.763 -3.061 1.00 19.95 C ATOM 729 HA PHE A 45 8.338 -23.749 -7.233 1.00 0.00 H ATOM 730 HB2 PHE A 45 8.307 -21.779 -4.916 1.00 0.00 H ATOM 731 HB3 PHE A 45 6.985 -22.931 -5.217 1.00 0.00 H ATOM 732 HD2 PHE A 45 8.858 -22.655 -2.739 1.00 0.00 H ATOM 733 HE2 PHE A 45 10.043 -24.389 -1.416 1.00 0.00 H ATOM 734 HZ PHE A 45 10.706 -26.523 -2.486 1.00 0.00 H ATOM 735 HE1 PHE A 45 10.177 -26.914 -4.889 1.00 0.00 H ATOM 736 HD1 PHE A 45 8.905 -25.214 -6.169 1.00 0.00 H ATOM 737 H PHE A 45 10.074 -21.430 -6.528 1.00 0.00 H ATOM 738 N VAL A 46 7.654 -20.677 -7.975 1.00 24.52 N ATOM 739 CA VAL A 46 6.715 -19.814 -8.697 1.00 23.10 C ATOM 740 C VAL A 46 7.289 -19.298 -10.017 1.00 27.35 C ATOM 741 O VAL A 46 8.511 -19.226 -10.180 1.00 27.69 O ATOM 742 CB VAL A 46 6.253 -18.605 -7.844 1.00 23.13 C ATOM 743 CG1 VAL A 46 5.560 -19.081 -6.554 1.00 17.14 C ATOM 744 CG2 VAL A 46 7.435 -17.682 -7.524 1.00 18.65 C ATOM 745 HA VAL A 46 5.854 -20.447 -8.912 1.00 0.00 H ATOM 746 HB VAL A 46 5.528 -18.035 -8.425 1.00 0.00 H ATOM 747 HG11 VAL A 46 4.689 -19.684 -6.812 1.00 0.00 H ATOM 748 HG12 VAL A 46 6.257 -19.680 -5.968 1.00 0.00 H ATOM 749 HG13 VAL A 46 5.245 -18.215 -5.972 1.00 0.00 H ATOM 750 HG21 VAL A 46 8.189 -18.239 -6.967 1.00 0.00 H ATOM 751 HG22 VAL A 46 7.868 -17.312 -8.454 1.00 0.00 H ATOM 752 HG23 VAL A 46 7.086 -16.841 -6.925 1.00 0.00 H ATOM 753 H VAL A 46 8.604 -20.319 -7.749 1.00 0.00 H ATOM 754 N TYR A 47 6.397 -18.941 -10.949 1.00 28.44 N ATOM 755 CA TYR A 47 6.769 -18.223 -12.167 1.00 28.77 C ATOM 756 C TYR A 47 7.203 -16.797 -11.852 1.00 30.50 C ATOM 757 O TYR A 47 7.150 -16.359 -10.694 1.00 28.79 O ATOM 758 CB TYR A 47 5.597 -18.183 -13.150 1.00 30.50 C ATOM 759 CG TYR A 47 5.303 -19.499 -13.833 1.00 29.15 C ATOM 760 CD1 TYR A 47 5.961 -19.860 -15.001 1.00 34.97 C ATOM 761 CD2 TYR A 47 4.354 -20.369 -13.321 1.00 28.16 C ATOM 762 CE1 TYR A 47 5.691 -21.063 -15.635 1.00 34.32 C ATOM 763 CE2 TYR A 47 4.074 -21.572 -13.945 1.00 31.98 C ATOM 764 CZ TYR A 47 4.749 -21.914 -15.105 1.00 35.79 C ATOM 765 OH TYR A 47 4.475 -23.115 -15.734 1.00 39.97 O ATOM 766 HA TYR A 47 7.604 -18.758 -12.618 1.00 0.00 H ATOM 767 HB3 TYR A 47 5.823 -17.444 -13.919 1.00 0.00 H ATOM 768 HB2 TYR A 47 4.705 -17.877 -12.604 1.00 0.00 H ATOM 769 HD2 TYR A 47 3.818 -20.101 -12.410 1.00 0.00 H ATOM 770 HE2 TYR A 47 3.327 -22.246 -13.526 1.00 0.00 H ATOM 771 HE1 TYR A 47 6.222 -21.333 -16.548 1.00 0.00 H ATOM 772 HD1 TYR A 47 6.703 -19.185 -15.427 1.00 0.00 H ATOM 773 HH TYR A 47 5.041 -23.200 -16.542 1.00 0.00 H ATOM 774 H TYR A 47 5.397 -19.185 -10.800 1.00 0.00 H ATOM 775 N GLU A 48 7.620 -16.074 -12.889 1.00 29.66 N ATOM 776 CA GLU A 48 8.184 -14.739 -12.718 1.00 32.64 C ATOM 777 C GLU A 48 7.178 -13.756 -12.137 1.00 31.33 C ATOM 778 O GLU A 48 7.517 -12.952 -11.273 1.00 31.81 O ATOM 779 CB GLU A 48 8.742 -14.209 -14.040 1.00 33.75 C ATOM 780 CG GLU A 48 10.253 -14.290 -14.126 1.00 39.19 C ATOM 781 CD GLU A 48 10.798 -13.738 -15.427 1.00 46.56 C ATOM 782 OE1 GLU A 48 10.643 -14.413 -16.469 1.00 50.35 O ATOM 783 OE2 GLU A 48 11.385 -12.632 -15.403 1.00 46.98 O ATOM 784 HA GLU A 48 9.000 -14.832 -12.001 1.00 0.00 H ATOM 785 HB2 GLU A 48 8.317 -14.794 -14.855 1.00 0.00 H ATOM 786 HB3 GLU A 48 8.444 -13.166 -14.149 1.00 0.00 H ATOM 787 HG2 GLU A 48 10.680 -13.721 -13.300 1.00 0.00 H ATOM 788 HG3 GLU A 48 10.551 -15.335 -14.039 1.00 0.00 H ATOM 789 H GLU A 48 7.542 -16.471 -13.847 1.00 0.00 H ATOM 790 N ASP A 49 5.941 -13.826 -12.617 1.00 31.53 N ATOM 791 CA ASP A 49 4.865 -12.998 -12.086 1.00 31.29 C ATOM 792 C ASP A 49 4.421 -13.485 -10.711 1.00 30.27 C ATOM 793 O ASP A 49 3.609 -12.841 -10.046 1.00 30.18 O ATOM 794 CB ASP A 49 3.675 -12.984 -13.048 1.00 31.42 C ATOM 795 CG ASP A 49 2.946 -14.313 -13.092 1.00 32.95 C ATOM 796 OD1 ASP A 49 3.580 -15.350 -12.805 1.00 33.76 O ATOM 797 OD2 ASP A 49 1.740 -14.320 -13.415 1.00 42.02 O ATOM 798 HA ASP A 49 5.247 -11.983 -11.981 1.00 0.00 H ATOM 799 HB2 ASP A 49 2.975 -12.212 -12.727 1.00 0.00 H ATOM 800 HB3 ASP A 49 4.038 -12.751 -14.049 1.00 0.00 H ATOM 801 H ASP A 49 5.735 -14.489 -13.392 1.00 0.00 H ATOM 802 N GLY A 50 4.960 -14.624 -10.290 1.00 30.21 N ATOM 803 CA GLY A 50 4.879 -15.039 -8.901 1.00 28.65 C ATOM 804 C GLY A 50 3.795 -16.073 -8.667 1.00 28.09 C ATOM 805 O GLY A 50 3.373 -16.297 -7.533 1.00 30.63 O ATOM 806 HA3 GLY A 50 4.667 -14.164 -8.286 1.00 0.00 H ATOM 807 HA2 GLY A 50 5.838 -15.465 -8.606 1.00 0.00 H ATOM 808 H GLY A 50 5.453 -15.234 -10.973 1.00 0.00 H ATOM 809 N ARG A 51 3.344 -16.705 -9.746 1.00 27.55 N ATOM 810 CA ARG A 51 2.252 -17.667 -9.669 1.00 25.71 C ATOM 811 C ARG A 51 2.848 -19.038 -9.368 1.00 27.11 C ATOM 812 O ARG A 51 3.875 -19.416 -9.931 1.00 25.04 O ATOM 813 CB ARG A 51 1.401 -17.615 -10.939 1.00 27.27 C ATOM 814 CG ARG A 51 0.220 -18.572 -10.935 1.00 30.87 C ATOM 815 CD ARG A 51 -0.500 -18.566 -12.274 1.00 37.66 C ATOM 816 NE ARG A 51 0.428 -18.695 -13.394 1.00 48.25 N ATOM 817 CZ ARG A 51 0.766 -19.852 -13.955 1.00 53.85 C ATOM 818 NH1 ARG A 51 0.252 -20.987 -13.500 1.00 55.64 N ATOM 819 NH2 ARG A 51 1.618 -19.875 -14.971 1.00 48.71 N ATOM 820 HA ARG A 51 1.563 -17.425 -8.860 1.00 0.00 H ATOM 821 HB2 ARG A 51 1.019 -16.601 -11.054 1.00 0.00 H ATOM 822 HB3 ARG A 51 2.038 -17.861 -11.789 1.00 0.00 H ATOM 823 HG2 ARG A 51 0.580 -19.580 -10.730 1.00 0.00 H ATOM 824 HG3 ARG A 51 -0.479 -18.271 -10.154 1.00 0.00 H ATOM 825 HD2 ARG A 51 -1.047 -17.629 -12.376 1.00 0.00 H ATOM 826 HD3 ARG A 51 -1.202 -19.399 -12.300 1.00 0.00 H ATOM 827 HE ARG A 51 0.852 -17.826 -13.777 1.00 0.00 H ATOM 828 HH12 ARG A 51 0.517 -21.891 -13.940 1.00 0.00 H ATOM 829 HH11 ARG A 51 -0.416 -20.973 -12.703 1.00 0.00 H ATOM 830 HH22 ARG A 51 1.881 -20.781 -15.409 1.00 0.00 H ATOM 831 HH21 ARG A 51 2.023 -18.987 -15.330 1.00 0.00 H ATOM 832 H ARG A 51 3.782 -16.508 -10.669 1.00 0.00 H ATOM 833 N GLY A 52 2.196 -19.779 -8.477 1.00 24.50 N ATOM 834 CA GLY A 52 2.599 -21.138 -8.169 1.00 22.97 C ATOM 835 C GLY A 52 2.779 -21.986 -9.412 1.00 24.40 C ATOM 836 O GLY A 52 1.958 -21.945 -10.328 1.00 24.39 O ATOM 837 HA3 GLY A 52 1.835 -21.596 -7.541 1.00 0.00 H ATOM 838 HA2 GLY A 52 3.544 -21.108 -7.626 1.00 0.00 H ATOM 839 H GLY A 52 1.374 -19.373 -7.987 1.00 0.00 H ATOM 840 N ASP A 53 3.860 -22.759 -9.444 1.00 23.20 N ATOM 841 CA ASP A 53 4.068 -23.739 -10.498 1.00 23.39 C ATOM 842 C ASP A 53 3.663 -25.133 -10.019 1.00 24.23 C ATOM 843 O ASP A 53 4.392 -25.780 -9.267 1.00 21.49 O ATOM 844 CB ASP A 53 5.522 -23.736 -10.946 1.00 26.47 C ATOM 845 CG ASP A 53 5.736 -24.489 -12.245 1.00 31.38 C ATOM 846 OD1 ASP A 53 4.923 -25.379 -12.573 1.00 30.72 O ATOM 847 OD2 ASP A 53 6.726 -24.186 -12.937 1.00 33.14 O ATOM 848 HA ASP A 53 3.442 -23.469 -11.348 1.00 0.00 H ATOM 849 HB2 ASP A 53 5.842 -22.703 -11.084 1.00 0.00 H ATOM 850 HB3 ASP A 53 6.128 -24.202 -10.169 1.00 0.00 H ATOM 851 H ASP A 53 4.576 -22.660 -8.696 1.00 0.00 H ATOM 852 N TYR A 54 2.487 -25.572 -10.459 1.00 20.11 N ATOM 853 CA TYR A 54 1.961 -26.887 -10.149 1.00 19.38 C ATOM 854 C TYR A 54 3.036 -27.955 -10.269 1.00 21.20 C ATOM 855 O TYR A 54 3.185 -28.818 -9.404 1.00 23.09 O ATOM 856 CB TYR A 54 0.837 -27.201 -11.133 1.00 18.02 C ATOM 857 CG TYR A 54 0.081 -28.470 -10.844 1.00 15.98 C ATOM 858 CD1 TYR A 54 -1.127 -28.433 -10.153 1.00 19.55 C ATOM 859 CD2 TYR A 54 0.560 -29.707 -11.273 1.00 18.61 C ATOM 860 CE1 TYR A 54 -1.840 -29.580 -9.896 1.00 16.49 C ATOM 861 CE2 TYR A 54 -0.150 -30.867 -11.020 1.00 21.78 C ATOM 862 CZ TYR A 54 -1.351 -30.794 -10.325 1.00 21.70 C ATOM 863 OH TYR A 54 -2.074 -31.937 -10.059 1.00 23.17 O ATOM 864 HA TYR A 54 1.595 -26.886 -9.122 1.00 0.00 H ATOM 865 HB3 TYR A 54 1.271 -27.284 -12.129 1.00 0.00 H ATOM 866 HB2 TYR A 54 0.129 -26.373 -11.115 1.00 0.00 H ATOM 867 HD2 TYR A 54 1.505 -29.761 -11.814 1.00 0.00 H ATOM 868 HE2 TYR A 54 0.229 -31.830 -11.363 1.00 0.00 H ATOM 869 HE1 TYR A 54 -2.786 -29.529 -9.356 1.00 0.00 H ATOM 870 HD1 TYR A 54 -1.516 -27.475 -9.809 1.00 0.00 H ATOM 871 HH TYR A 54 -2.895 -31.698 -9.560 1.00 0.00 H ATOM 872 H TYR A 54 1.916 -24.940 -11.056 1.00 0.00 H ATOM 873 N HIS A 55 3.776 -27.903 -11.368 1.00 22.81 N ATOM 874 CA HIS A 55 4.670 -28.985 -11.724 1.00 24.43 C ATOM 875 C HIS A 55 5.989 -28.973 -10.950 1.00 24.57 C ATOM 876 O HIS A 55 6.698 -29.971 -10.915 1.00 28.30 O ATOM 877 CB HIS A 55 4.887 -29.002 -13.227 1.00 23.61 C ATOM 878 CG HIS A 55 3.615 -29.139 -14.002 1.00 28.78 C ATOM 879 ND1 HIS A 55 2.916 -30.325 -14.075 1.00 19.06 N ATOM 880 CD2 HIS A 55 2.899 -28.233 -14.712 1.00 29.94 C ATOM 881 CE1 HIS A 55 1.832 -30.148 -14.808 1.00 24.74 C ATOM 882 NE2 HIS A 55 1.797 -28.887 -15.206 1.00 26.02 N ATOM 883 HA HIS A 55 4.185 -29.915 -11.427 1.00 0.00 H ATOM 884 HB2 HIS A 55 5.372 -28.071 -13.518 1.00 0.00 H ATOM 885 HB3 HIS A 55 5.537 -29.842 -13.475 1.00 0.00 H ATOM 886 HD2 HIS A 55 3.151 -27.183 -14.862 1.00 0.00 H ATOM 887 HE1 HIS A 55 1.091 -30.912 -15.045 1.00 0.00 H ATOM 888 H HIS A 55 3.713 -27.069 -11.986 1.00 0.00 H ATOM 889 N LYS A 56 6.300 -27.864 -10.289 1.00 22.95 N ATOM 890 CA LYS A 56 7.437 -27.858 -9.368 1.00 22.53 C ATOM 891 C LYS A 56 7.115 -28.475 -8.005 1.00 23.47 C ATOM 892 O LYS A 56 8.027 -28.828 -7.248 1.00 26.62 O ATOM 893 CB LYS A 56 8.011 -26.445 -9.212 1.00 21.52 C ATOM 894 CG LYS A 56 8.435 -25.828 -10.525 1.00 24.67 C ATOM 895 CD LYS A 56 9.792 -26.369 -10.971 1.00 26.24 C ATOM 896 CE LYS A 56 10.481 -25.387 -11.907 1.00 28.40 C ATOM 897 NZ LYS A 56 11.569 -26.053 -12.659 1.00 42.81 N ATOM 898 HA LYS A 56 8.197 -28.496 -9.818 1.00 0.00 H ATOM 899 HB2 LYS A 56 7.250 -25.809 -8.760 1.00 0.00 H ATOM 900 HB3 LYS A 56 8.879 -26.494 -8.555 1.00 0.00 H ATOM 901 HG2 LYS A 56 7.690 -26.061 -11.286 1.00 0.00 H ATOM 902 HG3 LYS A 56 8.504 -24.747 -10.405 1.00 0.00 H ATOM 903 HD2 LYS A 56 10.420 -26.529 -10.094 1.00 0.00 H ATOM 904 HD3 LYS A 56 9.647 -27.317 -11.490 1.00 0.00 H ATOM 905 HE2 LYS A 56 10.900 -24.568 -11.322 1.00 0.00 H ATOM 906 HE3 LYS A 56 9.750 -24.991 -12.611 1.00 0.00 H ATOM 907 HZ1 LYS A 56 12.271 -26.429 -11.990 1.00 0.00 H ATOM 908 HZ2 LYS A 56 11.173 -26.832 -13.222 1.00 0.00 H ATOM 909 HZ3 LYS A 56 12.024 -25.364 -13.291 1.00 0.00 H ATOM 910 H LYS A 56 5.736 -27.001 -10.426 1.00 0.00 H ATOM 911 N LEU A 57 5.827 -28.622 -7.699 1.00 21.21 N ATOM 912 CA LEU A 57 5.408 -29.103 -6.376 1.00 20.78 C ATOM 913 C LEU A 57 4.714 -30.460 -6.347 1.00 19.30 C ATOM 914 O LEU A 57 4.819 -31.197 -5.376 1.00 20.14 O ATOM 915 CB LEU A 57 4.556 -28.042 -5.677 1.00 21.40 C ATOM 916 CG LEU A 57 5.389 -26.879 -5.097 1.00 23.20 C ATOM 917 CD1 LEU A 57 4.465 -25.753 -4.655 1.00 24.31 C ATOM 918 CD2 LEU A 57 6.310 -27.335 -3.931 1.00 16.79 C ATOM 919 HA LEU A 57 6.338 -29.270 -5.833 1.00 0.00 H ATOM 920 HB2 LEU A 57 3.848 -27.635 -6.399 1.00 0.00 H ATOM 921 HB3 LEU A 57 4.010 -28.517 -4.862 1.00 0.00 H ATOM 922 HG LEU A 57 6.047 -26.515 -5.886 1.00 0.00 H ATOM 923 HD21 LEU A 57 5.700 -27.747 -3.127 1.00 0.00 H ATOM 924 HD22 LEU A 57 7.000 -28.098 -4.292 1.00 0.00 H ATOM 925 HD23 LEU A 57 6.874 -26.479 -3.559 1.00 0.00 H ATOM 926 HD11 LEU A 57 3.894 -25.396 -5.512 1.00 0.00 H ATOM 927 HD12 LEU A 57 3.782 -26.124 -3.891 1.00 0.00 H ATOM 928 HD13 LEU A 57 5.060 -24.936 -4.247 1.00 0.00 H ATOM 929 H LEU A 57 5.104 -28.392 -8.410 1.00 0.00 H ATOM 930 N TYR A 58 3.988 -30.800 -7.407 1.00 20.66 N ATOM 931 CA TYR A 58 3.178 -32.008 -7.401 1.00 19.73 C ATOM 932 C TYR A 58 3.952 -33.307 -7.118 1.00 21.34 C ATOM 933 O TYR A 58 3.596 -34.086 -6.225 1.00 22.40 O ATOM 934 CB TYR A 58 2.394 -32.123 -8.708 1.00 20.57 C ATOM 935 CG TYR A 58 1.542 -33.353 -8.797 1.00 17.39 C ATOM 936 CD1 TYR A 58 2.026 -34.513 -9.391 1.00 21.70 C ATOM 937 CD2 TYR A 58 0.246 -33.363 -8.287 1.00 24.79 C ATOM 938 CE1 TYR A 58 1.234 -35.661 -9.490 1.00 24.82 C ATOM 939 CE2 TYR A 58 -0.546 -34.503 -8.365 1.00 24.20 C ATOM 940 CZ TYR A 58 -0.044 -35.649 -8.970 1.00 24.08 C ATOM 941 OH TYR A 58 -0.830 -36.778 -9.065 1.00 24.67 O ATOM 942 HA TYR A 58 2.495 -31.897 -6.558 1.00 0.00 H ATOM 943 HB3 TYR A 58 3.104 -32.136 -9.535 1.00 0.00 H ATOM 944 HB2 TYR A 58 1.748 -31.250 -8.799 1.00 0.00 H ATOM 945 HD2 TYR A 58 -0.154 -32.463 -7.819 1.00 0.00 H ATOM 946 HE2 TYR A 58 -1.555 -34.498 -7.954 1.00 0.00 H ATOM 947 HE1 TYR A 58 1.623 -36.557 -9.974 1.00 0.00 H ATOM 948 HD1 TYR A 58 3.041 -34.528 -9.787 1.00 0.00 H ATOM 949 HH TYR A 58 -1.086 -37.078 -8.157 1.00 0.00 H ATOM 950 H TYR A 58 3.999 -30.194 -8.252 1.00 0.00 H ATOM 951 N ASP A 59 4.994 -33.563 -7.894 1.00 22.26 N ATOM 952 CA ASP A 59 5.770 -34.798 -7.712 1.00 21.95 C ATOM 953 C ASP A 59 6.528 -34.806 -6.384 1.00 18.79 C ATOM 954 O ASP A 59 6.420 -35.754 -5.614 1.00 22.54 O ATOM 955 CB ASP A 59 6.732 -35.022 -8.889 1.00 21.92 C ATOM 956 CG ASP A 59 6.036 -35.635 -10.093 1.00 28.24 C ATOM 957 OD1 ASP A 59 4.973 -36.259 -9.905 1.00 26.62 O ATOM 958 OD2 ASP A 59 6.550 -35.503 -11.224 1.00 36.83 O ATOM 959 HA ASP A 59 5.059 -35.624 -7.686 1.00 0.00 H ATOM 960 HB2 ASP A 59 7.159 -34.062 -9.181 1.00 0.00 H ATOM 961 HB3 ASP A 59 7.531 -35.690 -8.567 1.00 0.00 H ATOM 962 H ASP A 59 5.265 -32.887 -8.636 1.00 0.00 H ATOM 963 N PRO A 60 7.290 -33.746 -6.102 1.00 19.53 N ATOM 964 CA PRO A 60 7.961 -33.605 -4.793 1.00 20.59 C ATOM 965 C PRO A 60 7.065 -33.793 -3.567 1.00 22.71 C ATOM 966 O PRO A 60 7.472 -34.452 -2.606 1.00 23.32 O ATOM 967 CB PRO A 60 8.540 -32.186 -4.849 1.00 19.05 C ATOM 968 CG PRO A 60 8.848 -32.005 -6.327 1.00 20.18 C ATOM 969 CD PRO A 60 7.614 -32.624 -7.001 1.00 20.59 C ATOM 970 HA PRO A 60 8.700 -34.394 -4.658 1.00 0.00 H ATOM 971 HD3 PRO A 60 6.792 -31.910 -7.052 1.00 0.00 H ATOM 972 HD2 PRO A 60 7.849 -32.978 -8.005 1.00 0.00 H ATOM 973 HG3 PRO A 60 9.758 -32.535 -6.608 1.00 0.00 H ATOM 974 HG2 PRO A 60 8.949 -30.950 -6.582 1.00 0.00 H ATOM 975 HB2 PRO A 60 7.812 -31.451 -4.507 1.00 0.00 H ATOM 976 HB3 PRO A 60 9.445 -32.107 -4.247 1.00 0.00 H ATOM 977 N LEU A 61 5.858 -33.228 -3.594 1.00 20.48 N ATOM 978 CA LEU A 61 4.911 -33.418 -2.504 1.00 17.18 C ATOM 979 C LEU A 61 4.500 -34.874 -2.394 1.00 16.80 C ATOM 980 O LEU A 61 4.472 -35.446 -1.312 1.00 19.25 O ATOM 981 CB LEU A 61 3.670 -32.532 -2.706 1.00 17.76 C ATOM 982 CG LEU A 61 3.860 -31.024 -2.591 1.00 15.98 C ATOM 983 CD1 LEU A 61 2.564 -30.327 -3.009 1.00 15.09 C ATOM 984 CD2 LEU A 61 4.280 -30.605 -1.142 1.00 20.22 C ATOM 985 HA LEU A 61 5.403 -33.127 -1.576 1.00 0.00 H ATOM 986 HB2 LEU A 61 3.279 -32.738 -3.703 1.00 0.00 H ATOM 987 HB3 LEU A 61 2.932 -32.827 -1.960 1.00 0.00 H ATOM 988 HG LEU A 61 4.669 -30.718 -3.254 1.00 0.00 H ATOM 989 HD21 LEU A 61 3.505 -30.910 -0.438 1.00 0.00 H ATOM 990 HD22 LEU A 61 5.220 -31.092 -0.883 1.00 0.00 H ATOM 991 HD23 LEU A 61 4.406 -29.523 -1.100 1.00 0.00 H ATOM 992 HD11 LEU A 61 2.327 -30.591 -4.040 1.00 0.00 H ATOM 993 HD12 LEU A 61 1.753 -30.647 -2.355 1.00 0.00 H ATOM 994 HD13 LEU A 61 2.692 -29.247 -2.930 1.00 0.00 H ATOM 995 H LEU A 61 5.588 -32.641 -4.409 1.00 0.00 H ATOM 996 N ASN A 62 4.180 -35.477 -3.528 1.00 19.92 N ATOM 997 CA ASN A 62 3.648 -36.828 -3.543 1.00 18.75 C ATOM 998 C ASN A 62 4.680 -37.922 -3.250 1.00 21.36 C ATOM 999 O ASN A 62 4.341 -38.982 -2.710 1.00 20.27 O ATOM 1000 CB ASN A 62 2.925 -37.100 -4.864 1.00 19.53 C ATOM 1001 CG ASN A 62 1.476 -36.649 -4.825 1.00 21.28 C ATOM 1002 OD1 ASN A 62 0.670 -37.206 -4.087 1.00 23.32 O ATOM 1003 ND2 ASN A 62 1.152 -35.614 -5.590 1.00 22.45 N ATOM 1004 HA ASN A 62 2.939 -36.876 -2.716 1.00 0.00 H ATOM 1005 HB2 ASN A 62 3.439 -36.565 -5.663 1.00 0.00 H ATOM 1006 HB3 ASN A 62 2.955 -38.170 -5.068 1.00 0.00 H ATOM 1007 HD22 ASN A 62 1.870 -35.174 -6.200 1.00 0.00 H ATOM 1008 HD21 ASN A 62 0.180 -35.243 -5.579 1.00 0.00 H ATOM 1009 H ASN A 62 4.312 -34.972 -4.428 1.00 0.00 H ATOM 1010 N ILE A 63 5.937 -37.662 -3.586 1.00 19.74 N ATOM 1011 CA ILE A 63 7.017 -38.540 -3.147 1.00 23.75 C ATOM 1012 C ILE A 63 7.131 -38.648 -1.613 1.00 24.85 C ATOM 1013 O ILE A 63 7.316 -39.732 -1.055 1.00 24.67 O ATOM 1014 CB ILE A 63 8.340 -38.151 -3.812 1.00 23.14 C ATOM 1015 CG1 ILE A 63 8.246 -38.465 -5.311 1.00 26.57 C ATOM 1016 CG2 ILE A 63 9.513 -38.899 -3.171 1.00 25.26 C ATOM 1017 CD1 ILE A 63 9.191 -37.655 -6.187 1.00 32.50 C ATOM 1018 HA ILE A 63 6.763 -39.547 -3.480 1.00 0.00 H ATOM 1019 HB ILE A 63 8.520 -37.085 -3.672 1.00 0.00 H ATOM 1020 HG12 ILE A 63 8.472 -39.522 -5.452 1.00 0.00 H ATOM 1021 HG13 ILE A 63 7.225 -38.267 -5.637 1.00 0.00 H ATOM 1022 HD11 ILE A 63 8.972 -36.594 -6.071 1.00 0.00 H ATOM 1023 HD12 ILE A 63 10.220 -37.850 -5.886 1.00 0.00 H ATOM 1024 HD13 ILE A 63 9.055 -37.943 -7.229 1.00 0.00 H ATOM 1025 HG21 ILE A 63 9.566 -38.650 -2.111 1.00 0.00 H ATOM 1026 HG22 ILE A 63 9.364 -39.973 -3.286 1.00 0.00 H ATOM 1027 HG23 ILE A 63 10.441 -38.605 -3.661 1.00 0.00 H ATOM 1028 H ILE A 63 6.154 -36.827 -4.166 1.00 0.00 H ATOM 1029 N ILE A 64 7.004 -37.517 -0.936 1.00 27.31 N ATOM 1030 CA ILE A 64 7.128 -37.474 0.514 1.00 27.23 C ATOM 1031 C ILE A 64 5.857 -37.983 1.194 1.00 29.01 C ATOM 1032 O ILE A 64 5.920 -38.816 2.095 1.00 32.98 O ATOM 1033 CB ILE A 64 7.475 -36.044 0.958 1.00 28.77 C ATOM 1034 CG1 ILE A 64 8.841 -35.657 0.378 1.00 26.33 C ATOM 1035 CG2 ILE A 64 7.398 -35.894 2.481 1.00 28.57 C ATOM 1036 CD1 ILE A 64 9.351 -34.317 0.835 1.00 31.37 C ATOM 1037 HA ILE A 64 7.936 -38.138 0.821 1.00 0.00 H ATOM 1038 HB ILE A 64 6.736 -35.346 0.565 1.00 0.00 H ATOM 1039 HG12 ILE A 64 9.565 -36.417 0.673 1.00 0.00 H ATOM 1040 HG13 ILE A 64 8.758 -35.638 -0.709 1.00 0.00 H ATOM 1041 HD11 ILE A 64 8.646 -33.541 0.537 1.00 0.00 H ATOM 1042 HD12 ILE A 64 9.454 -34.320 1.920 1.00 0.00 H ATOM 1043 HD13 ILE A 64 10.321 -34.124 0.377 1.00 0.00 H ATOM 1044 HG21 ILE A 64 6.387 -36.124 2.817 1.00 0.00 H ATOM 1045 HG22 ILE A 64 8.103 -36.581 2.949 1.00 0.00 H ATOM 1046 HG23 ILE A 64 7.650 -34.870 2.757 1.00 0.00 H ATOM 1047 H ILE A 64 6.811 -36.636 -1.454 1.00 0.00 H ATOM 1048 N GLU A 65 4.701 -37.510 0.734 1.00 28.33 N ATOM 1049 CA GLU A 65 3.420 -37.924 1.290 1.00 28.64 C ATOM 1050 C GLU A 65 2.434 -38.129 0.147 1.00 25.40 C ATOM 1051 O GLU A 65 1.834 -37.167 -0.325 1.00 23.70 O ATOM 1052 CB GLU A 65 2.886 -36.857 2.273 1.00 24.37 C ATOM 1053 CG GLU A 65 1.512 -37.198 2.883 1.00 35.62 C ATOM 1054 CD GLU A 65 0.766 -35.983 3.477 1.00 36.87 C ATOM 1055 OE1 GLU A 65 0.804 -34.886 2.882 1.00 46.40 O ATOM 1056 OE2 GLU A 65 0.129 -36.129 4.542 1.00 48.04 O ATOM 1057 HA GLU A 65 3.546 -38.856 1.841 1.00 0.00 H ATOM 1058 HB2 GLU A 65 3.605 -36.749 3.085 1.00 0.00 H ATOM 1059 HB3 GLU A 65 2.799 -35.911 1.738 1.00 0.00 H ATOM 1060 HG2 GLU A 65 0.889 -37.634 2.102 1.00 0.00 H ATOM 1061 HG3 GLU A 65 1.662 -37.930 3.677 1.00 0.00 H ATOM 1062 H GLU A 65 4.713 -36.823 -0.047 1.00 0.00 H ATOM 1063 N LEU A 66 2.274 -39.375 -0.303 1.00 24.84 N ATOM 1064 CA LEU A 66 1.349 -39.683 -1.402 1.00 25.29 C ATOM 1065 C LEU A 66 -0.118 -39.492 -1.023 1.00 24.48 C ATOM 1066 O LEU A 66 -0.638 -40.205 -0.176 1.00 27.64 O ATOM 1067 CB LEU A 66 1.548 -41.118 -1.913 1.00 22.08 C ATOM 1068 CG LEU A 66 0.636 -41.511 -3.079 1.00 22.22 C ATOM 1069 CD1 LEU A 66 1.143 -40.948 -4.401 1.00 22.53 C ATOM 1070 CD2 LEU A 66 0.458 -43.030 -3.173 1.00 22.25 C ATOM 1071 HA LEU A 66 1.589 -38.970 -2.191 1.00 0.00 H ATOM 1072 HB2 LEU A 66 2.583 -41.223 -2.240 1.00 0.00 H ATOM 1073 HB3 LEU A 66 1.358 -41.803 -1.087 1.00 0.00 H ATOM 1074 HG LEU A 66 -0.341 -41.072 -2.877 1.00 0.00 H ATOM 1075 HD21 LEU A 66 1.430 -43.500 -3.324 1.00 0.00 H ATOM 1076 HD22 LEU A 66 0.013 -43.400 -2.249 1.00 0.00 H ATOM 1077 HD23 LEU A 66 -0.195 -43.267 -4.013 1.00 0.00 H ATOM 1078 HD11 LEU A 66 1.178 -39.860 -4.342 1.00 0.00 H ATOM 1079 HD12 LEU A 66 2.143 -41.334 -4.599 1.00 0.00 H ATOM 1080 HD13 LEU A 66 0.470 -41.248 -5.204 1.00 0.00 H ATOM 1081 H LEU A 66 2.817 -40.146 0.135 1.00 0.00 H ATOM 1082 N ASP A 67 -0.793 -38.556 -1.687 1.00 25.30 N ATOM 1083 CA ASP A 67 -2.055 -37.999 -1.182 1.00 23.37 C ATOM 1084 C ASP A 67 -2.706 -37.203 -2.314 1.00 21.35 C ATOM 1085 O ASP A 67 -2.123 -36.258 -2.839 1.00 20.08 O ATOM 1086 CB ASP A 67 -1.750 -37.079 0.013 1.00 24.89 C ATOM 1087 CG ASP A 67 -2.994 -36.611 0.755 1.00 28.43 C ATOM 1088 OD1 ASP A 67 -4.136 -36.842 0.286 1.00 27.22 O ATOM 1089 OD2 ASP A 67 -2.813 -35.993 1.832 1.00 43.81 O ATOM 1090 HA ASP A 67 -2.730 -38.789 -0.854 1.00 0.00 H ATOM 1091 HB2 ASP A 67 -1.115 -37.622 0.713 1.00 0.00 H ATOM 1092 HB3 ASP A 67 -1.217 -36.202 -0.354 1.00 0.00 H ATOM 1093 H ASP A 67 -0.415 -38.208 -2.591 1.00 0.00 H ATOM 1094 N LYS A 68 -3.935 -37.433 -2.719 1.00 19.32 N ATOM 1095 CA LYS A 68 -4.699 -36.803 -3.786 1.00 21.55 C ATOM 1096 C LYS A 68 -4.945 -35.323 -3.508 1.00 21.59 C ATOM 1097 O LYS A 68 -5.278 -34.567 -4.418 1.00 22.33 O ATOM 1098 CB LYS A 68 -6.049 -37.510 -3.940 1.00 23.16 C ATOM 1099 CG LYS A 68 -6.964 -37.331 -2.714 1.00 25.60 C ATOM 1100 CD LYS A 68 -8.301 -38.060 -2.889 1.00 28.62 C ATOM 1101 CE LYS A 68 -9.190 -37.856 -1.668 1.00 38.79 C ATOM 1102 NZ LYS A 68 -10.506 -38.552 -1.805 1.00 43.52 N ATOM 1103 HA LYS A 68 -4.116 -36.888 -4.703 1.00 0.00 H ATOM 1104 HB2 LYS A 68 -6.556 -37.104 -4.815 1.00 0.00 H ATOM 1105 HB3 LYS A 68 -5.869 -38.575 -4.087 1.00 0.00 H ATOM 1106 HG2 LYS A 68 -6.458 -37.729 -1.835 1.00 0.00 H ATOM 1107 HG3 LYS A 68 -7.158 -36.268 -2.570 1.00 0.00 H ATOM 1108 HD2 LYS A 68 -8.809 -37.670 -3.771 1.00 0.00 H ATOM 1109 HD3 LYS A 68 -8.113 -39.126 -3.021 1.00 0.00 H ATOM 1110 HE2 LYS A 68 -9.369 -36.789 -1.538 1.00 0.00 H ATOM 1111 HE3 LYS A 68 -8.676 -38.246 -0.790 1.00 0.00 H ATOM 1112 HZ1 LYS A 68 -11.008 -38.181 -2.637 1.00 0.00 H ATOM 1113 HZ2 LYS A 68 -10.346 -39.573 -1.922 1.00 0.00 H ATOM 1114 HZ3 LYS A 68 -11.076 -38.385 -0.951 1.00 0.00 H ATOM 1115 H LYS A 68 -4.438 -38.179 -2.198 1.00 0.00 H ATOM 1116 N ARG A 69 -4.748 -35.091 -2.214 1.00 19.73 N ATOM 1117 CA ARG A 69 -5.081 -33.744 -1.796 1.00 21.21 C ATOM 1118 C ARG A 69 -4.064 -32.717 -2.243 1.00 18.94 C ATOM 1119 O ARG A 69 -4.360 -31.521 -2.245 1.00 20.22 O ATOM 1120 CB ARG A 69 -5.246 -33.681 -0.276 1.00 21.06 C ATOM 1121 CG ARG A 69 -6.542 -34.342 0.204 1.00 33.21 C ATOM 1122 CD ARG A 69 -6.667 -34.218 1.713 1.00 42.49 C ATOM 1123 NE ARG A 69 -5.609 -34.968 2.391 1.00 42.73 N ATOM 1124 CZ ARG A 69 -5.660 -35.347 3.662 1.00 36.82 C ATOM 1125 NH1 ARG A 69 -6.712 -35.039 4.411 1.00 30.45 N ATOM 1126 NH2 ARG A 69 -4.664 -36.042 4.174 1.00 36.16 N ATOM 1127 HA ARG A 69 -6.024 -33.495 -2.282 1.00 0.00 H ATOM 1128 HB2 ARG A 69 -4.401 -34.190 0.188 1.00 0.00 H ATOM 1129 HB3 ARG A 69 -5.252 -32.635 0.032 1.00 0.00 H ATOM 1130 HG2 ARG A 69 -7.393 -33.852 -0.269 1.00 0.00 H ATOM 1131 HG3 ARG A 69 -6.532 -35.397 -0.071 1.00 0.00 H ATOM 1132 HD2 ARG A 69 -7.636 -34.608 2.024 1.00 0.00 H ATOM 1133 HD3 ARG A 69 -6.594 -33.167 1.992 1.00 0.00 H ATOM 1134 HE ARG A 69 -4.763 -35.220 1.842 1.00 0.00 H ATOM 1135 HH12 ARG A 69 -6.747 -35.338 5.406 1.00 0.00 H ATOM 1136 HH11 ARG A 69 -7.501 -34.498 4.002 1.00 0.00 H ATOM 1137 HH22 ARG A 69 -4.697 -36.342 5.169 1.00 0.00 H ATOM 1138 HH21 ARG A 69 -3.845 -36.290 3.583 1.00 0.00 H ATOM 1139 H ARG A 69 -4.386 -35.813 -1.559 1.00 0.00 H ATOM 1140 N HIS A 70 -2.860 -33.158 -2.597 1.00 18.61 N ATOM 1141 CA HIS A 70 -1.845 -32.213 -3.098 1.00 21.21 C ATOM 1142 C HIS A 70 -2.312 -31.564 -4.402 1.00 20.46 C ATOM 1143 O HIS A 70 -2.199 -30.353 -4.560 1.00 21.84 O ATOM 1144 CB HIS A 70 -0.472 -32.882 -3.296 1.00 19.25 C ATOM 1145 CG HIS A 70 0.110 -33.449 -2.037 1.00 21.61 C ATOM 1146 ND1 HIS A 70 0.123 -32.755 -0.845 1.00 19.73 N ATOM 1147 CD2 HIS A 70 0.696 -34.646 -1.784 1.00 17.35 C ATOM 1148 CE1 HIS A 70 0.694 -33.500 0.088 1.00 19.92 C ATOM 1149 NE2 HIS A 70 1.037 -34.657 -0.454 1.00 22.73 N ATOM 1150 HA HIS A 70 -1.724 -31.441 -2.338 1.00 0.00 H ATOM 1151 HB2 HIS A 70 -0.584 -33.691 -4.018 1.00 0.00 H ATOM 1152 HB3 HIS A 70 0.220 -32.138 -3.690 1.00 0.00 H ATOM 1153 HD2 HIS A 70 0.865 -35.449 -2.502 1.00 0.00 H ATOM 1154 HE1 HIS A 70 0.854 -33.210 1.126 1.00 0.00 H ATOM 1155 H HIS A 70 -2.634 -34.170 -2.520 1.00 0.00 H ATOM 1156 N ASP A 71 -2.842 -32.375 -5.320 1.00 20.85 N ATOM 1157 CA ASP A 71 -3.506 -31.868 -6.540 1.00 20.46 C ATOM 1158 C ASP A 71 -4.596 -30.845 -6.220 1.00 21.08 C ATOM 1159 O ASP A 71 -4.620 -29.752 -6.780 1.00 21.81 O ATOM 1160 CB ASP A 71 -4.070 -33.032 -7.364 1.00 21.27 C ATOM 1161 CG ASP A 71 -5.053 -32.583 -8.453 1.00 24.56 C ATOM 1162 OD1 ASP A 71 -4.636 -31.897 -9.408 1.00 26.50 O ATOM 1163 OD2 ASP A 71 -6.246 -32.938 -8.363 1.00 26.24 O ATOM 1164 HA ASP A 71 -2.752 -31.351 -7.134 1.00 0.00 H ATOM 1165 HB2 ASP A 71 -3.240 -33.554 -7.840 1.00 0.00 H ATOM 1166 HB3 ASP A 71 -4.588 -33.715 -6.690 1.00 0.00 H ATOM 1167 H ASP A 71 -2.786 -33.403 -5.172 1.00 0.00 H ATOM 1168 N VAL A 72 -5.492 -31.197 -5.304 1.00 23.36 N ATOM 1169 CA VAL A 72 -6.609 -30.331 -4.963 1.00 21.27 C ATOM 1170 C VAL A 72 -6.099 -29.012 -4.380 1.00 21.60 C ATOM 1171 O VAL A 72 -6.594 -27.940 -4.719 1.00 22.54 O ATOM 1172 CB VAL A 72 -7.545 -31.001 -3.927 1.00 24.05 C ATOM 1173 CG1 VAL A 72 -8.602 -30.009 -3.434 1.00 22.56 C ATOM 1174 CG2 VAL A 72 -8.199 -32.259 -4.510 1.00 21.08 C ATOM 1175 HA VAL A 72 -7.168 -30.144 -5.880 1.00 0.00 H ATOM 1176 HB VAL A 72 -6.942 -31.307 -3.072 1.00 0.00 H ATOM 1177 HG11 VAL A 72 -8.109 -29.157 -2.966 1.00 0.00 H ATOM 1178 HG12 VAL A 72 -9.198 -29.666 -4.279 1.00 0.00 H ATOM 1179 HG13 VAL A 72 -9.249 -30.500 -2.707 1.00 0.00 H ATOM 1180 HG21 VAL A 72 -8.785 -31.988 -5.388 1.00 0.00 H ATOM 1181 HG22 VAL A 72 -7.424 -32.971 -4.794 1.00 0.00 H ATOM 1182 HG23 VAL A 72 -8.851 -32.709 -3.761 1.00 0.00 H ATOM 1183 H VAL A 72 -5.392 -32.112 -4.820 1.00 0.00 H ATOM 1184 N ASN A 73 -5.126 -29.098 -3.478 1.00 21.98 N ATOM 1185 CA ASN A 73 -4.627 -27.921 -2.779 1.00 22.40 C ATOM 1186 C ASN A 73 -3.823 -27.016 -3.707 1.00 21.40 C ATOM 1187 O ASN A 73 -3.922 -25.791 -3.638 1.00 22.52 O ATOM 1188 CB ASN A 73 -3.783 -28.332 -1.571 1.00 21.51 C ATOM 1189 CG ASN A 73 -4.614 -28.956 -0.480 1.00 24.89 C ATOM 1190 OD1 ASN A 73 -5.805 -28.662 -0.350 1.00 26.95 O ATOM 1191 ND2 ASN A 73 -4.006 -29.838 0.299 1.00 17.02 N ATOM 1192 HA ASN A 73 -5.490 -27.355 -2.429 1.00 0.00 H ATOM 1193 HB2 ASN A 73 -3.032 -29.052 -1.896 1.00 0.00 H ATOM 1194 HB3 ASN A 73 -3.287 -27.447 -1.172 1.00 0.00 H ATOM 1195 HD22 ASN A 73 -2.999 -30.055 0.152 1.00 0.00 H ATOM 1196 HD21 ASN A 73 -4.535 -30.314 1.057 1.00 0.00 H ATOM 1197 H ASN A 73 -4.711 -30.028 -3.266 1.00 0.00 H ATOM 1198 N LEU A 74 -3.029 -27.631 -4.572 1.00 19.58 N ATOM 1199 CA LEU A 74 -2.314 -26.906 -5.622 1.00 20.31 C ATOM 1200 C LEU A 74 -3.262 -26.146 -6.538 1.00 20.25 C ATOM 1201 O LEU A 74 -3.052 -24.972 -6.782 1.00 21.76 O ATOM 1202 CB LEU A 74 -1.411 -27.846 -6.431 1.00 19.46 C ATOM 1203 CG LEU A 74 -0.100 -28.275 -5.747 1.00 18.06 C ATOM 1204 CD1 LEU A 74 0.547 -29.424 -6.504 1.00 14.76 C ATOM 1205 CD2 LEU A 74 0.872 -27.072 -5.654 1.00 16.27 C ATOM 1206 HA LEU A 74 -1.682 -26.170 -5.125 1.00 0.00 H ATOM 1207 HB2 LEU A 74 -1.982 -28.747 -6.654 1.00 0.00 H ATOM 1208 HB3 LEU A 74 -1.152 -27.341 -7.362 1.00 0.00 H ATOM 1209 HG LEU A 74 -0.330 -28.617 -4.738 1.00 0.00 H ATOM 1210 HD21 LEU A 74 1.094 -26.708 -6.657 1.00 0.00 H ATOM 1211 HD22 LEU A 74 0.408 -26.276 -5.071 1.00 0.00 H ATOM 1212 HD23 LEU A 74 1.795 -27.389 -5.168 1.00 0.00 H ATOM 1213 HD11 LEU A 74 -0.136 -30.274 -6.525 1.00 0.00 H ATOM 1214 HD12 LEU A 74 0.767 -29.108 -7.524 1.00 0.00 H ATOM 1215 HD13 LEU A 74 1.472 -29.712 -6.004 1.00 0.00 H ATOM 1216 H LEU A 74 -2.911 -28.662 -4.502 1.00 0.00 H ATOM 1217 N GLU A 75 -4.309 -26.802 -7.034 1.00 18.99 N ATOM 1218 CA GLU A 75 -5.255 -26.118 -7.920 1.00 20.41 C ATOM 1219 C GLU A 75 -5.972 -24.968 -7.209 1.00 21.32 C ATOM 1220 O GLU A 75 -6.158 -23.899 -7.787 1.00 20.59 O ATOM 1221 CB GLU A 75 -6.293 -27.084 -8.508 1.00 18.41 C ATOM 1222 CG GLU A 75 -5.735 -28.204 -9.358 1.00 18.29 C ATOM 1223 CD GLU A 75 -5.380 -27.782 -10.776 1.00 25.08 C ATOM 1224 OE1 GLU A 75 -5.249 -26.564 -11.023 1.00 22.75 O ATOM 1225 OE2 GLU A 75 -5.211 -28.681 -11.642 1.00 18.44 O ATOM 1226 HA GLU A 75 -4.661 -25.708 -8.737 1.00 0.00 H ATOM 1227 HB2 GLU A 75 -6.841 -27.532 -7.680 1.00 0.00 H ATOM 1228 HB3 GLU A 75 -6.979 -26.504 -9.125 1.00 0.00 H ATOM 1229 HG2 GLU A 75 -4.834 -28.584 -8.877 1.00 0.00 H ATOM 1230 HG3 GLU A 75 -6.480 -28.998 -9.412 1.00 0.00 H ATOM 1231 H GLU A 75 -4.456 -27.803 -6.792 1.00 0.00 H ATOM 1232 N LYS A 76 -6.397 -25.201 -5.968 1.00 19.99 N ATOM 1233 CA LYS A 76 -7.041 -24.156 -5.165 1.00 20.59 C ATOM 1234 C LYS A 76 -6.126 -22.955 -4.969 1.00 20.01 C ATOM 1235 O LYS A 76 -6.510 -21.812 -5.222 1.00 20.17 O ATOM 1236 CB LYS A 76 -7.432 -24.711 -3.795 1.00 23.10 C ATOM 1237 CG LYS A 76 -8.278 -23.762 -2.961 1.00 31.62 C ATOM 1238 CD LYS A 76 -8.581 -24.365 -1.594 1.00 46.37 C ATOM 1239 CE LYS A 76 -9.205 -23.346 -0.655 1.00 49.09 C ATOM 1240 NZ LYS A 76 -8.191 -22.373 -0.178 1.00 52.30 N ATOM 1241 HA LYS A 76 -7.930 -23.831 -5.706 1.00 0.00 H ATOM 1242 HB2 LYS A 76 -7.997 -25.631 -3.946 1.00 0.00 H ATOM 1243 HB3 LYS A 76 -6.519 -24.933 -3.242 1.00 0.00 H ATOM 1244 HG2 LYS A 76 -7.737 -22.825 -2.827 1.00 0.00 H ATOM 1245 HG3 LYS A 76 -9.216 -23.567 -3.482 1.00 0.00 H ATOM 1246 HD2 LYS A 76 -9.272 -25.198 -1.721 1.00 0.00 H ATOM 1247 HD3 LYS A 76 -7.652 -24.728 -1.154 1.00 0.00 H ATOM 1248 HE2 LYS A 76 -9.632 -23.866 0.203 1.00 0.00 H ATOM 1249 HE3 LYS A 76 -9.993 -22.810 -1.183 1.00 0.00 H ATOM 1250 HZ1 LYS A 76 -7.438 -22.880 0.331 1.00 0.00 H ATOM 1251 HZ2 LYS A 76 -7.783 -21.871 -0.993 1.00 0.00 H ATOM 1252 HZ3 LYS A 76 -8.643 -21.688 0.461 1.00 0.00 H ATOM 1253 H LYS A 76 -6.269 -26.148 -5.558 1.00 0.00 H ATOM 1254 N CYS A 77 -4.910 -23.217 -4.507 1.00 21.31 N ATOM 1255 CA CYS A 77 -3.975 -22.141 -4.162 1.00 23.54 C ATOM 1256 C CYS A 77 -3.439 -21.347 -5.352 1.00 21.49 C ATOM 1257 O CYS A 77 -3.223 -20.139 -5.243 1.00 20.02 O ATOM 1258 CB CYS A 77 -2.834 -22.662 -3.277 1.00 24.06 C ATOM 1259 SG CYS A 77 -3.472 -23.248 -1.692 1.00 25.24 S ATOM 1260 HA CYS A 77 -4.567 -21.423 -3.594 1.00 0.00 H ATOM 1261 HB2 CYS A 77 -2.121 -21.856 -3.100 1.00 0.00 H ATOM 1262 HB3 CYS A 77 -2.332 -23.484 -3.787 1.00 0.00 H ATOM 1263 H CYS A 77 -4.614 -24.207 -4.387 1.00 0.00 H ATOM 1264 N ILE A 78 -3.228 -22.018 -6.482 1.00 22.00 N ATOM 1265 CA ILE A 78 -2.921 -21.310 -7.722 1.00 22.61 C ATOM 1266 C ILE A 78 -4.088 -20.440 -8.165 1.00 23.18 C ATOM 1267 O ILE A 78 -3.889 -19.300 -8.592 1.00 24.52 O ATOM 1268 CB ILE A 78 -2.545 -22.264 -8.852 1.00 24.43 C ATOM 1269 CG1 ILE A 78 -1.255 -23.023 -8.501 1.00 27.25 C ATOM 1270 CG2 ILE A 78 -2.409 -21.497 -10.172 1.00 19.73 C ATOM 1271 CD1 ILE A 78 -1.058 -24.303 -9.303 1.00 18.62 C ATOM 1272 HA ILE A 78 -2.061 -20.676 -7.507 1.00 0.00 H ATOM 1273 HB ILE A 78 -3.339 -23.000 -8.977 1.00 0.00 H ATOM 1274 HG12 ILE A 78 -0.407 -22.365 -8.689 1.00 0.00 H ATOM 1275 HG13 ILE A 78 -1.285 -23.281 -7.442 1.00 0.00 H ATOM 1276 HD11 ILE A 78 -1.893 -24.979 -9.117 1.00 0.00 H ATOM 1277 HD12 ILE A 78 -1.014 -24.062 -10.365 1.00 0.00 H ATOM 1278 HD13 ILE A 78 -0.127 -24.781 -8.999 1.00 0.00 H ATOM 1279 HG21 ILE A 78 -3.358 -21.017 -10.411 1.00 0.00 H ATOM 1280 HG22 ILE A 78 -1.632 -20.739 -10.072 1.00 0.00 H ATOM 1281 HG23 ILE A 78 -2.141 -22.191 -10.968 1.00 0.00 H ATOM 1282 H ILE A 78 -3.282 -23.057 -6.482 1.00 0.00 H ATOM 1283 N GLY A 79 -5.301 -20.986 -8.065 1.00 24.89 N ATOM 1284 CA GLY A 79 -6.527 -20.254 -8.369 1.00 22.35 C ATOM 1285 C GLY A 79 -6.619 -18.964 -7.579 1.00 25.28 C ATOM 1286 O GLY A 79 -6.906 -17.909 -8.132 1.00 25.15 O ATOM 1287 HA3 GLY A 79 -7.384 -20.881 -8.123 1.00 0.00 H ATOM 1288 HA2 GLY A 79 -6.544 -20.019 -9.433 1.00 0.00 H ATOM 1289 H GLY A 79 -5.377 -21.976 -7.757 1.00 0.00 H ATOM 1290 N GLU A 80 -6.353 -19.041 -6.280 1.00 26.12 N ATOM 1291 CA GLU A 80 -6.334 -17.856 -5.440 1.00 28.21 C ATOM 1292 C GLU A 80 -5.288 -16.851 -5.890 1.00 28.95 C ATOM 1293 O GLU A 80 -5.591 -15.677 -6.081 1.00 31.44 O ATOM 1294 CB GLU A 80 -6.073 -18.237 -3.990 1.00 30.72 C ATOM 1295 CG GLU A 80 -7.288 -18.727 -3.262 1.00 34.66 C ATOM 1296 CD GLU A 80 -7.024 -18.935 -1.791 1.00 43.89 C ATOM 1297 OE1 GLU A 80 -6.178 -18.203 -1.219 1.00 44.21 O ATOM 1298 OE2 GLU A 80 -7.671 -19.831 -1.212 1.00 47.99 O ATOM 1299 HA GLU A 80 -7.314 -17.388 -5.531 1.00 0.00 H ATOM 1300 HB2 GLU A 80 -5.321 -19.026 -3.972 1.00 0.00 H ATOM 1301 HB3 GLU A 80 -5.690 -17.360 -3.468 1.00 0.00 H ATOM 1302 HG2 GLU A 80 -8.086 -17.993 -3.376 1.00 0.00 H ATOM 1303 HG3 GLU A 80 -7.602 -19.674 -3.700 1.00 0.00 H ATOM 1304 H GLU A 80 -6.154 -19.969 -5.855 1.00 0.00 H ATOM 1305 N CYS A 81 -4.049 -17.304 -6.043 1.00 29.79 N ATOM 1306 CA CYS A 81 -2.941 -16.377 -6.247 1.00 29.87 C ATOM 1307 C CYS A 81 -3.069 -15.636 -7.576 1.00 29.50 C ATOM 1308 O CYS A 81 -2.629 -14.497 -7.708 1.00 32.35 O ATOM 1309 CB CYS A 81 -1.593 -17.098 -6.142 1.00 28.07 C ATOM 1310 SG CYS A 81 -1.067 -17.957 -7.625 1.00 25.49 S ATOM 1311 HA CYS A 81 -2.985 -15.632 -5.452 1.00 0.00 H ATOM 1312 HB2 CYS A 81 -1.663 -17.829 -5.336 1.00 0.00 H ATOM 1313 HB3 CYS A 81 -0.833 -16.357 -5.894 1.00 0.00 H ATOM 1314 HG CYS A 81 -2.002 -18.917 -7.954 1.00 0.00 H ATOM 1315 H CYS A 81 -3.867 -18.328 -6.017 1.00 0.00 H ATOM 1316 N VAL A 82 -3.682 -16.286 -8.554 1.00 30.16 N ATOM 1317 CA VAL A 82 -3.879 -15.686 -9.865 1.00 31.91 C ATOM 1318 C VAL A 82 -4.801 -14.469 -9.802 1.00 32.28 C ATOM 1319 O VAL A 82 -4.710 -13.569 -10.638 1.00 34.77 O ATOM 1320 CB VAL A 82 -4.441 -16.705 -10.862 1.00 29.88 C ATOM 1321 CG1 VAL A 82 -4.996 -15.996 -12.079 1.00 35.58 C ATOM 1322 CG2 VAL A 82 -3.367 -17.687 -11.266 1.00 29.57 C ATOM 1323 HA VAL A 82 -2.898 -15.356 -10.208 1.00 0.00 H ATOM 1324 HB VAL A 82 -5.251 -17.255 -10.383 1.00 0.00 H ATOM 1325 HG11 VAL A 82 -5.794 -15.320 -11.772 1.00 0.00 H ATOM 1326 HG12 VAL A 82 -4.201 -15.427 -12.560 1.00 0.00 H ATOM 1327 HG13 VAL A 82 -5.392 -16.733 -12.778 1.00 0.00 H ATOM 1328 HG21 VAL A 82 -2.541 -17.149 -11.732 1.00 0.00 H ATOM 1329 HG22 VAL A 82 -3.007 -18.213 -10.382 1.00 0.00 H ATOM 1330 HG23 VAL A 82 -3.781 -18.405 -11.974 1.00 0.00 H ATOM 1331 H VAL A 82 -4.031 -17.250 -8.380 1.00 0.00 H ATOM 1332 N GLN A 83 -5.675 -14.443 -8.800 1.00 32.91 N ATOM 1333 CA GLN A 83 -6.721 -13.429 -8.707 1.00 34.30 C ATOM 1334 C GLN A 83 -6.282 -12.190 -7.929 1.00 33.47 C ATOM 1335 O GLN A 83 -6.948 -11.155 -7.983 1.00 35.34 O ATOM 1336 CB GLN A 83 -7.981 -14.023 -8.078 1.00 33.45 C ATOM 1337 CG GLN A 83 -8.815 -14.839 -9.045 1.00 41.19 C ATOM 1338 CD GLN A 83 -10.092 -15.357 -8.412 1.00 51.61 C ATOM 1339 OE1 GLN A 83 -10.206 -16.545 -8.104 1.00 51.63 O ATOM 1340 NE2 GLN A 83 -11.063 -14.465 -8.212 1.00 50.55 N ATOM 1341 HA GLN A 83 -6.934 -13.106 -9.726 1.00 0.00 H ATOM 1342 HB2 GLN A 83 -7.683 -14.667 -7.251 1.00 0.00 H ATOM 1343 HB3 GLN A 83 -8.594 -13.206 -7.698 1.00 0.00 H ATOM 1344 HG2 GLN A 83 -9.076 -14.212 -9.898 1.00 0.00 H ATOM 1345 HG3 GLN A 83 -8.224 -15.688 -9.387 1.00 0.00 H ATOM 1346 HE22 GLN A 83 -10.922 -13.472 -8.488 1.00 0.00 H ATOM 1347 HE21 GLN A 83 -11.961 -14.762 -7.780 1.00 0.00 H ATOM 1348 H GLN A 83 -5.611 -15.169 -8.058 1.00 0.00 H ATOM 1349 N VAL A 84 -5.173 -12.306 -7.201 1.00 32.73 N ATOM 1350 CA VAL A 84 -4.537 -11.160 -6.550 1.00 30.73 C ATOM 1351 C VAL A 84 -3.505 -10.533 -7.486 1.00 31.23 C ATOM 1352 O VAL A 84 -3.124 -11.143 -8.486 1.00 29.20 O ATOM 1353 CB VAL A 84 -3.849 -11.550 -5.203 1.00 30.98 C ATOM 1354 CG1 VAL A 84 -4.853 -12.152 -4.229 1.00 29.43 C ATOM 1355 CG2 VAL A 84 -2.675 -12.493 -5.434 1.00 25.56 C ATOM 1356 HA VAL A 84 -5.324 -10.441 -6.325 1.00 0.00 H ATOM 1357 HB VAL A 84 -3.456 -10.637 -4.756 1.00 0.00 H ATOM 1358 HG11 VAL A 84 -5.638 -11.425 -4.023 1.00 0.00 H ATOM 1359 HG12 VAL A 84 -5.292 -13.047 -4.669 1.00 0.00 H ATOM 1360 HG13 VAL A 84 -4.345 -12.413 -3.301 1.00 0.00 H ATOM 1361 HG21 VAL A 84 -3.031 -13.402 -5.918 1.00 0.00 H ATOM 1362 HG22 VAL A 84 -1.938 -12.005 -6.072 1.00 0.00 H ATOM 1363 HG23 VAL A 84 -2.219 -12.745 -4.477 1.00 0.00 H ATOM 1364 H VAL A 84 -4.743 -13.246 -7.091 1.00 0.00 H ATOM 1365 N PRO A 85 -3.061 -9.305 -7.171 1.00 32.37 N ATOM 1366 CA PRO A 85 -2.053 -8.618 -7.973 1.00 32.87 C ATOM 1367 C PRO A 85 -0.667 -9.248 -7.852 1.00 33.61 C ATOM 1368 O PRO A 85 -0.374 -9.928 -6.865 1.00 32.92 O ATOM 1369 CB PRO A 85 -2.038 -7.197 -7.386 1.00 33.61 C ATOM 1370 CG PRO A 85 -3.280 -7.095 -6.540 1.00 33.74 C ATOM 1371 CD PRO A 85 -3.507 -8.479 -6.037 1.00 33.32 C ATOM 1372 HA PRO A 85 -2.292 -8.661 -9.036 1.00 0.00 H ATOM 1373 HD3 PRO A 85 -2.912 -8.678 -5.146 1.00 0.00 H ATOM 1374 HD2 PRO A 85 -4.560 -8.650 -5.814 1.00 0.00 H ATOM 1375 HG3 PRO A 85 -4.127 -6.759 -7.138 1.00 0.00 H ATOM 1376 HG2 PRO A 85 -3.126 -6.404 -5.711 1.00 0.00 H ATOM 1377 HB2 PRO A 85 -1.148 -7.047 -6.775 1.00 0.00 H ATOM 1378 HB3 PRO A 85 -2.059 -6.455 -8.184 1.00 0.00 H ATOM 1379 N THR A 86 0.176 -8.992 -8.848 1.00 33.75 N ATOM 1380 CA THR A 86 1.468 -9.652 -8.984 1.00 33.92 C ATOM 1381 C THR A 86 2.441 -9.386 -7.829 1.00 34.40 C ATOM 1382 O THR A 86 3.330 -10.204 -7.560 1.00 33.96 O ATOM 1383 CB THR A 86 2.147 -9.296 -10.325 1.00 33.90 C ATOM 1384 OG1 THR A 86 3.281 -10.147 -10.526 1.00 34.92 O ATOM 1385 CG2 THR A 86 2.607 -7.839 -10.329 1.00 34.99 C ATOM 1386 HA THR A 86 1.235 -10.716 -8.957 1.00 0.00 H ATOM 1387 HB THR A 86 1.424 -9.439 -11.128 1.00 0.00 H ATOM 1388 HG1 THR A 86 2.984 -11.091 -10.546 1.00 0.00 H ATOM 1389 HG23 THR A 86 1.747 -7.187 -10.176 1.00 0.00 H ATOM 1390 HG21 THR A 86 3.328 -7.685 -9.526 1.00 0.00 H ATOM 1391 HG22 THR A 86 3.073 -7.609 -11.287 1.00 0.00 H ATOM 1392 H THR A 86 -0.099 -8.288 -9.563 1.00 0.00 H ATOM 1393 N SER A 87 2.283 -8.249 -7.152 1.00 33.58 N ATOM 1394 CA SER A 87 3.161 -7.905 -6.028 1.00 33.58 C ATOM 1395 C SER A 87 2.961 -8.897 -4.883 1.00 31.99 C ATOM 1396 O SER A 87 3.796 -9.022 -3.985 1.00 32.03 O ATOM 1397 CB SER A 87 2.870 -6.486 -5.537 1.00 33.59 C ATOM 1398 OG SER A 87 1.573 -6.408 -4.967 1.00 34.32 O ATOM 1399 HA SER A 87 4.195 -7.955 -6.370 1.00 0.00 H ATOM 1400 HB2 SER A 87 2.933 -5.796 -6.378 1.00 0.00 H ATOM 1401 HB3 SER A 87 3.609 -6.209 -4.785 1.00 0.00 H ATOM 1402 HG SER A 87 1.405 -5.483 -4.656 1.00 0.00 H ATOM 1403 H SER A 87 1.523 -7.593 -7.425 1.00 0.00 H ATOM 1404 N GLU A 88 1.840 -9.606 -4.942 1.00 32.33 N ATOM 1405 CA GLU A 88 1.229 -10.224 -3.777 1.00 29.48 C ATOM 1406 C GLU A 88 1.089 -11.727 -4.034 1.00 27.42 C ATOM 1407 O GLU A 88 0.740 -12.507 -3.140 1.00 27.63 O ATOM 1408 CB GLU A 88 -0.153 -9.604 -3.548 1.00 29.72 C ATOM 1409 CG GLU A 88 -0.752 -9.964 -2.211 1.00 35.11 C ATOM 1410 CD GLU A 88 -2.075 -9.291 -1.950 1.00 41.66 C ATOM 1411 OE1 GLU A 88 -2.483 -8.404 -2.743 1.00 38.24 O ATOM 1412 OE2 GLU A 88 -2.707 -9.661 -0.937 1.00 43.00 O ATOM 1413 HA GLU A 88 1.846 -10.061 -2.894 1.00 0.00 H ATOM 1414 HB2 GLU A 88 -0.060 -8.519 -3.606 1.00 0.00 H ATOM 1415 HB3 GLU A 88 -0.824 -9.952 -4.333 1.00 0.00 H ATOM 1416 HG2 GLU A 88 -0.900 -11.043 -2.177 1.00 0.00 H ATOM 1417 HG3 GLU A 88 -0.053 -9.670 -1.428 1.00 0.00 H ATOM 1418 H GLU A 88 1.377 -9.725 -5.866 1.00 0.00 H ATOM 1419 N ARG A 89 1.376 -12.122 -5.268 1.00 25.49 N ATOM 1420 CA ARG A 89 0.905 -13.392 -5.808 1.00 25.26 C ATOM 1421 C ARG A 89 1.619 -14.586 -5.174 1.00 23.84 C ATOM 1422 O ARG A 89 0.988 -15.574 -4.788 1.00 23.28 O ATOM 1423 CB ARG A 89 1.104 -13.405 -7.320 1.00 24.81 C ATOM 1424 CG ARG A 89 0.537 -14.624 -8.019 1.00 27.14 C ATOM 1425 CD ARG A 89 0.329 -14.336 -9.490 1.00 27.10 C ATOM 1426 NE ARG A 89 -0.779 -13.413 -9.698 1.00 29.24 N ATOM 1427 CZ ARG A 89 -0.772 -12.415 -10.578 1.00 32.91 C ATOM 1428 NH1 ARG A 89 0.292 -12.195 -11.338 1.00 30.88 N ATOM 1429 NH2 ARG A 89 -1.835 -11.635 -10.698 1.00 29.76 N ATOM 1430 HA ARG A 89 -0.155 -13.486 -5.570 1.00 0.00 H ATOM 1431 HB2 ARG A 89 0.622 -12.520 -7.735 1.00 0.00 H ATOM 1432 HB3 ARG A 89 2.174 -13.363 -7.523 1.00 0.00 H ATOM 1433 HG2 ARG A 89 1.231 -15.457 -7.910 1.00 0.00 H ATOM 1434 HG3 ARG A 89 -0.418 -14.887 -7.565 1.00 0.00 H ATOM 1435 HD2 ARG A 89 0.115 -15.271 -10.008 1.00 0.00 H ATOM 1436 HD3 ARG A 89 1.239 -13.896 -9.898 1.00 0.00 H ATOM 1437 HE ARG A 89 -1.633 -13.543 -9.119 1.00 0.00 H ATOM 1438 HH12 ARG A 89 0.289 -11.413 -12.023 1.00 0.00 H ATOM 1439 HH11 ARG A 89 1.130 -12.805 -11.249 1.00 0.00 H ATOM 1440 HH22 ARG A 89 -1.832 -10.854 -11.385 1.00 0.00 H ATOM 1441 HH21 ARG A 89 -2.673 -11.803 -10.105 1.00 0.00 H ATOM 1442 H ARG A 89 1.957 -11.505 -5.871 1.00 0.00 H ATOM 1443 N ALA A 90 2.941 -14.486 -5.074 1.00 24.20 N ATOM 1444 CA ALA A 90 3.765 -15.577 -4.583 1.00 23.16 C ATOM 1445 C ALA A 90 3.514 -15.778 -3.090 1.00 23.96 C ATOM 1446 O ALA A 90 3.442 -16.904 -2.597 1.00 26.88 O ATOM 1447 CB ALA A 90 5.244 -15.280 -4.852 1.00 21.38 C ATOM 1448 HA ALA A 90 3.501 -16.496 -5.107 1.00 0.00 H ATOM 1449 HB1 ALA A 90 5.401 -15.166 -5.925 1.00 0.00 H ATOM 1450 HB2 ALA A 90 5.527 -14.359 -4.342 1.00 0.00 H ATOM 1451 HB3 ALA A 90 5.852 -16.104 -4.480 1.00 0.00 H ATOM 1452 H ALA A 90 3.401 -13.597 -5.357 1.00 0.00 H ATOM 1453 N HIS A 91 3.367 -14.672 -2.377 1.00 25.34 N ATOM 1454 CA HIS A 91 3.043 -14.707 -0.960 1.00 22.91 C ATOM 1455 C HIS A 91 1.671 -15.347 -0.740 1.00 23.98 C ATOM 1456 O HIS A 91 1.512 -16.190 0.135 1.00 23.65 O ATOM 1457 CB HIS A 91 3.086 -13.291 -0.389 1.00 23.45 C ATOM 1458 CG HIS A 91 3.154 -13.241 1.106 1.00 24.71 C ATOM 1459 ND1 HIS A 91 2.859 -12.105 1.825 1.00 24.45 N ATOM 1460 CD2 HIS A 91 3.472 -14.190 2.018 1.00 17.67 C ATOM 1461 CE1 HIS A 91 3.003 -12.352 3.115 1.00 24.72 C ATOM 1462 NE2 HIS A 91 3.367 -13.612 3.259 1.00 22.11 N ATOM 1463 HA HIS A 91 3.781 -15.316 -0.438 1.00 0.00 H ATOM 1464 HB2 HIS A 91 3.965 -12.786 -0.790 1.00 0.00 H ATOM 1465 HB3 HIS A 91 2.187 -12.764 -0.710 1.00 0.00 H ATOM 1466 HD2 HIS A 91 3.758 -15.220 1.806 1.00 0.00 H ATOM 1467 HE1 HIS A 91 2.848 -11.637 3.923 1.00 0.00 H ATOM 1468 H HIS A 91 3.487 -13.751 -2.844 1.00 0.00 H ATOM 1469 N VAL A 92 0.683 -14.963 -1.550 1.00 24.76 N ATOM 1470 CA VAL A 92 -0.639 -15.589 -1.486 1.00 23.98 C ATOM 1471 C VAL A 92 -0.638 -17.106 -1.784 1.00 24.83 C ATOM 1472 O VAL A 92 -1.289 -17.884 -1.078 1.00 25.90 O ATOM 1473 CB VAL A 92 -1.676 -14.849 -2.367 1.00 25.45 C ATOM 1474 CG1 VAL A 92 -2.894 -15.733 -2.605 1.00 22.40 C ATOM 1475 CG2 VAL A 92 -2.084 -13.529 -1.710 1.00 22.03 C ATOM 1476 HA VAL A 92 -0.942 -15.491 -0.444 1.00 0.00 H ATOM 1477 HB VAL A 92 -1.221 -14.625 -3.332 1.00 0.00 H ATOM 1478 HG11 VAL A 92 -2.584 -16.648 -3.111 1.00 0.00 H ATOM 1479 HG12 VAL A 92 -3.353 -15.983 -1.648 1.00 0.00 H ATOM 1480 HG13 VAL A 92 -3.613 -15.199 -3.226 1.00 0.00 H ATOM 1481 HG21 VAL A 92 -2.525 -13.731 -0.734 1.00 0.00 H ATOM 1482 HG22 VAL A 92 -1.204 -12.898 -1.589 1.00 0.00 H ATOM 1483 HG23 VAL A 92 -2.813 -13.021 -2.341 1.00 0.00 H ATOM 1484 H VAL A 92 0.855 -14.204 -2.240 1.00 0.00 H ATOM 1485 N PHE A 93 0.083 -17.524 -2.819 1.00 23.74 N ATOM 1486 CA PHE A 93 0.327 -18.950 -3.048 1.00 23.48 C ATOM 1487 C PHE A 93 0.884 -19.641 -1.783 1.00 24.02 C ATOM 1488 O PHE A 93 0.354 -20.654 -1.318 1.00 21.13 O ATOM 1489 CB PHE A 93 1.245 -19.139 -4.259 1.00 22.25 C ATOM 1490 CG PHE A 93 1.429 -20.580 -4.675 1.00 26.95 C ATOM 1491 CD1 PHE A 93 0.355 -21.332 -5.109 1.00 22.62 C ATOM 1492 CD2 PHE A 93 2.686 -21.179 -4.625 1.00 25.18 C ATOM 1493 CE1 PHE A 93 0.522 -22.653 -5.486 1.00 22.64 C ATOM 1494 CE2 PHE A 93 2.864 -22.494 -5.006 1.00 29.76 C ATOM 1495 CZ PHE A 93 1.783 -23.234 -5.439 1.00 28.32 C ATOM 1496 HA PHE A 93 -0.625 -19.433 -3.269 1.00 0.00 H ATOM 1497 HB2 PHE A 93 0.820 -18.591 -5.100 1.00 0.00 H ATOM 1498 HB3 PHE A 93 2.223 -18.725 -4.015 1.00 0.00 H ATOM 1499 HD2 PHE A 93 3.543 -20.600 -4.280 1.00 0.00 H ATOM 1500 HE2 PHE A 93 3.855 -22.946 -4.965 1.00 0.00 H ATOM 1501 HZ PHE A 93 1.918 -24.272 -5.743 1.00 0.00 H ATOM 1502 HE1 PHE A 93 -0.335 -23.237 -5.820 1.00 0.00 H ATOM 1503 HD1 PHE A 93 -0.636 -20.880 -5.155 1.00 0.00 H ATOM 1504 H PHE A 93 0.481 -16.826 -3.479 1.00 0.00 H ATOM 1505 N TYR A 94 1.928 -19.051 -1.219 1.00 23.75 N ATOM 1506 CA TYR A 94 2.680 -19.608 -0.094 1.00 23.47 C ATOM 1507 C TYR A 94 1.747 -19.734 1.110 1.00 25.22 C ATOM 1508 O TYR A 94 1.653 -20.797 1.736 1.00 22.77 O ATOM 1509 CB TYR A 94 3.843 -18.642 0.199 1.00 21.69 C ATOM 1510 CG TYR A 94 4.606 -18.774 1.507 1.00 20.10 C ATOM 1511 CD1 TYR A 94 5.704 -19.630 1.620 1.00 21.55 C ATOM 1512 CD2 TYR A 94 4.276 -17.984 2.603 1.00 19.51 C ATOM 1513 CE1 TYR A 94 6.434 -19.709 2.809 1.00 19.57 C ATOM 1514 CE2 TYR A 94 4.986 -18.050 3.781 1.00 18.93 C ATOM 1515 CZ TYR A 94 6.057 -18.918 3.882 1.00 17.97 C ATOM 1516 OH TYR A 94 6.747 -18.975 5.059 1.00 21.25 O ATOM 1517 HA TYR A 94 3.075 -20.599 -0.318 1.00 0.00 H ATOM 1518 HB3 TYR A 94 3.434 -17.632 0.170 1.00 0.00 H ATOM 1519 HB2 TYR A 94 4.568 -18.762 -0.606 1.00 0.00 H ATOM 1520 HD2 TYR A 94 3.434 -17.295 2.528 1.00 0.00 H ATOM 1521 HE2 TYR A 94 4.706 -17.423 4.627 1.00 0.00 H ATOM 1522 HE1 TYR A 94 7.287 -20.383 2.891 1.00 0.00 H ATOM 1523 HD1 TYR A 94 5.996 -20.245 0.769 1.00 0.00 H ATOM 1524 HH TYR A 94 7.126 -18.083 5.261 1.00 0.00 H ATOM 1525 H TYR A 94 2.233 -18.133 -1.601 1.00 0.00 H ATOM 1526 N LYS A 95 1.049 -18.640 1.411 1.00 23.66 N ATOM 1527 CA LYS A 95 0.108 -18.579 2.526 1.00 23.21 C ATOM 1528 C LYS A 95 -1.027 -19.598 2.373 1.00 22.23 C ATOM 1529 O LYS A 95 -1.372 -20.303 3.323 1.00 24.49 O ATOM 1530 CB LYS A 95 -0.469 -17.161 2.654 1.00 21.82 C ATOM 1531 CG LYS A 95 0.463 -16.158 3.316 1.00 24.98 C ATOM 1532 CD LYS A 95 -0.241 -14.813 3.523 1.00 22.09 C ATOM 1533 CE LYS A 95 -0.332 -14.027 2.233 1.00 19.91 C ATOM 1534 NZ LYS A 95 -0.936 -12.669 2.425 1.00 28.86 N ATOM 1535 HA LYS A 95 0.657 -18.831 3.434 1.00 0.00 H ATOM 1536 HB2 LYS A 95 -0.705 -16.798 1.654 1.00 0.00 H ATOM 1537 HB3 LYS A 95 -1.384 -17.217 3.244 1.00 0.00 H ATOM 1538 HG2 LYS A 95 0.779 -16.548 4.283 1.00 0.00 H ATOM 1539 HG3 LYS A 95 1.337 -16.010 2.682 1.00 0.00 H ATOM 1540 HD2 LYS A 95 -1.248 -14.995 3.899 1.00 0.00 H ATOM 1541 HD3 LYS A 95 0.318 -14.230 4.254 1.00 0.00 H ATOM 1542 HE2 LYS A 95 -0.946 -14.585 1.527 1.00 0.00 H ATOM 1543 HE3 LYS A 95 0.672 -13.908 1.825 1.00 0.00 H ATOM 1544 HZ1 LYS A 95 -1.898 -12.770 2.806 1.00 0.00 H ATOM 1545 HZ2 LYS A 95 -0.353 -12.123 3.091 1.00 0.00 H ATOM 1546 HZ3 LYS A 95 -0.974 -12.175 1.510 1.00 0.00 H ATOM 1547 H LYS A 95 1.180 -17.791 0.825 1.00 0.00 H ATOM 1548 N CYS A 96 -1.604 -19.678 1.181 1.00 19.74 N ATOM 1549 CA CYS A 96 -2.665 -20.650 0.914 1.00 21.11 C ATOM 1550 C CYS A 96 -2.200 -22.101 1.121 1.00 21.51 C ATOM 1551 O CYS A 96 -2.903 -22.908 1.734 1.00 21.76 O ATOM 1552 CB CYS A 96 -3.254 -20.441 -0.495 1.00 21.60 C ATOM 1553 SG CYS A 96 -4.546 -21.638 -1.019 1.00 25.11 S ATOM 1554 HA CYS A 96 -3.455 -20.474 1.645 1.00 0.00 H ATOM 1555 HB2 CYS A 96 -2.434 -20.501 -1.211 1.00 0.00 H ATOM 1556 HB3 CYS A 96 -3.691 -19.443 -0.528 1.00 0.00 H ATOM 1557 H CYS A 96 -1.296 -19.038 0.422 1.00 0.00 H ATOM 1558 N LEU A 97 -1.012 -22.426 0.621 1.00 23.04 N ATOM 1559 CA LEU A 97 -0.496 -23.796 0.685 1.00 22.78 C ATOM 1560 C LEU A 97 -0.277 -24.205 2.138 1.00 21.69 C ATOM 1561 O LEU A 97 -0.612 -25.317 2.544 1.00 21.57 O ATOM 1562 CB LEU A 97 0.828 -23.902 -0.079 1.00 24.23 C ATOM 1563 CG LEU A 97 0.812 -24.243 -1.576 1.00 27.85 C ATOM 1564 CD1 LEU A 97 2.231 -24.528 -2.049 1.00 28.69 C ATOM 1565 CD2 LEU A 97 -0.133 -25.408 -1.951 1.00 22.41 C ATOM 1566 HA LEU A 97 -1.227 -24.462 0.227 1.00 0.00 H ATOM 1567 HB2 LEU A 97 1.330 -22.940 0.022 1.00 0.00 H ATOM 1568 HB3 LEU A 97 1.419 -24.673 0.416 1.00 0.00 H ATOM 1569 HG LEU A 97 0.409 -23.369 -2.089 1.00 0.00 H ATOM 1570 HD21 LEU A 97 0.175 -26.309 -1.420 1.00 0.00 H ATOM 1571 HD22 LEU A 97 -1.154 -25.151 -1.670 1.00 0.00 H ATOM 1572 HD23 LEU A 97 -0.083 -25.583 -3.026 1.00 0.00 H ATOM 1573 HD11 LEU A 97 2.852 -23.647 -1.884 1.00 0.00 H ATOM 1574 HD12 LEU A 97 2.637 -25.370 -1.489 1.00 0.00 H ATOM 1575 HD13 LEU A 97 2.217 -24.770 -3.112 1.00 0.00 H ATOM 1576 H LEU A 97 -0.433 -21.688 0.172 1.00 0.00 H ATOM 1577 N LEU A 98 0.279 -23.285 2.916 1.00 19.32 N ATOM 1578 CA LEU A 98 0.593 -23.537 4.317 1.00 23.08 C ATOM 1579 C LEU A 98 -0.658 -23.792 5.144 1.00 23.85 C ATOM 1580 O LEU A 98 -0.624 -24.553 6.109 1.00 21.16 O ATOM 1581 CB LEU A 98 1.423 -22.387 4.917 1.00 21.24 C ATOM 1582 CG LEU A 98 2.907 -22.381 4.520 1.00 21.79 C ATOM 1583 CD1 LEU A 98 3.600 -21.100 4.953 1.00 17.36 C ATOM 1584 CD2 LEU A 98 3.616 -23.597 5.118 1.00 19.25 C ATOM 1585 HA LEU A 98 1.195 -24.445 4.351 1.00 0.00 H ATOM 1586 HB2 LEU A 98 0.982 -21.445 4.591 1.00 0.00 H ATOM 1587 HB3 LEU A 98 1.364 -22.458 6.003 1.00 0.00 H ATOM 1588 HG LEU A 98 2.961 -22.432 3.433 1.00 0.00 H ATOM 1589 HD21 LEU A 98 3.536 -23.565 6.205 1.00 0.00 H ATOM 1590 HD22 LEU A 98 3.149 -24.508 4.745 1.00 0.00 H ATOM 1591 HD23 LEU A 98 4.667 -23.581 4.830 1.00 0.00 H ATOM 1592 HD11 LEU A 98 3.114 -20.247 4.479 1.00 0.00 H ATOM 1593 HD12 LEU A 98 3.534 -21.001 6.036 1.00 0.00 H ATOM 1594 HD13 LEU A 98 4.647 -21.136 4.653 1.00 0.00 H ATOM 1595 H LEU A 98 0.498 -22.352 2.512 1.00 0.00 H ATOM 1596 N LYS A 99 -1.757 -23.156 4.752 1.00 25.95 N ATOM 1597 CA LYS A 99 -3.033 -23.293 5.448 1.00 29.80 C ATOM 1598 C LYS A 99 -3.751 -24.589 5.068 1.00 29.60 C ATOM 1599 O LYS A 99 -4.540 -25.113 5.842 1.00 33.60 O ATOM 1600 CB LYS A 99 -3.939 -22.106 5.119 1.00 32.71 C ATOM 1601 CG LYS A 99 -4.997 -21.830 6.160 1.00 41.47 C ATOM 1602 CD LYS A 99 -4.388 -21.087 7.365 1.00 52.26 C ATOM 1603 CE LYS A 99 -5.557 -20.543 8.284 1.00 50.16 C ATOM 1604 NZ LYS A 99 -4.936 -20.346 9.683 1.00 51.83 N ATOM 1605 HA LYS A 99 -2.819 -23.319 6.517 1.00 0.00 H ATOM 1606 HB2 LYS A 99 -3.316 -21.217 5.020 1.00 0.00 H ATOM 1607 HB3 LYS A 99 -4.436 -22.307 4.170 1.00 0.00 H ATOM 1608 HG2 LYS A 99 -5.783 -21.216 5.719 1.00 0.00 H ATOM 1609 HG3 LYS A 99 -5.423 -22.775 6.498 1.00 0.00 H ATOM 1610 HD2 LYS A 99 -3.762 -21.771 7.937 1.00 0.00 H ATOM 1611 HD3 LYS A 99 -3.783 -20.252 7.011 1.00 0.00 H ATOM 1612 HE2 LYS A 99 -6.372 -21.265 8.329 1.00 0.00 H ATOM 1613 HE3 LYS A 99 -5.933 -19.595 7.899 1.00 0.00 H ATOM 1614 HZ1 LYS A 99 -4.574 -21.257 10.032 1.00 0.00 H ATOM 1615 HZ2 LYS A 99 -4.155 -19.662 9.621 1.00 0.00 H ATOM 1616 HZ3 LYS A 99 -5.662 -19.987 10.336 1.00 0.00 H ATOM 1617 H LYS A 99 -1.706 -22.537 3.918 1.00 0.00 H ATOM 1618 N SER A 100 -3.473 -25.099 3.874 1.00 25.76 N ATOM 1619 CA SER A 100 -4.095 -26.320 3.407 1.00 22.71 C ATOM 1620 C SER A 100 -3.470 -27.532 4.088 1.00 23.67 C ATOM 1621 O SER A 100 -2.430 -27.426 4.747 1.00 24.73 O ATOM 1622 CB SER A 100 -3.944 -26.438 1.893 1.00 20.88 C ATOM 1623 OG SER A 100 -2.601 -26.765 1.530 1.00 20.96 O ATOM 1624 HA SER A 100 -5.155 -26.287 3.659 1.00 0.00 H ATOM 1625 HB2 SER A 100 -4.215 -25.488 1.433 1.00 0.00 H ATOM 1626 HB3 SER A 100 -4.611 -27.219 1.529 1.00 0.00 H ATOM 1627 HG SER A 100 -1.991 -26.056 1.854 1.00 0.00 H ATOM 1628 H SER A 100 -2.792 -24.609 3.259 1.00 0.00 H ATOM 1629 N THR A 101 -4.098 -28.688 3.909 1.00 23.42 N ATOM 1630 CA THR A 101 -3.565 -29.953 4.425 1.00 23.30 C ATOM 1631 C THR A 101 -2.215 -30.326 3.767 1.00 21.66 C ATOM 1632 O THR A 101 -1.486 -31.205 4.241 1.00 23.96 O ATOM 1633 CB THR A 101 -4.589 -31.099 4.235 1.00 21.13 C ATOM 1634 OG1 THR A 101 -4.942 -31.202 2.846 1.00 23.60 O ATOM 1635 CG2 THR A 101 -5.856 -30.841 5.069 1.00 15.21 C ATOM 1636 HA THR A 101 -3.385 -29.813 5.491 1.00 0.00 H ATOM 1637 HB THR A 101 -4.134 -32.031 4.572 1.00 0.00 H ATOM 1638 HG1 THR A 101 -5.342 -30.348 2.544 1.00 0.00 H ATOM 1639 HG23 THR A 101 -5.587 -30.763 6.122 1.00 0.00 H ATOM 1640 HG21 THR A 101 -6.322 -29.911 4.742 1.00 0.00 H ATOM 1641 HG22 THR A 101 -6.554 -31.667 4.931 1.00 0.00 H ATOM 1642 H THR A 101 -4.997 -28.697 3.386 1.00 0.00 H ATOM 1643 N THR A 102 -1.879 -29.645 2.681 1.00 20.48 N ATOM 1644 CA THR A 102 -0.573 -29.818 2.033 1.00 19.04 C ATOM 1645 C THR A 102 0.571 -29.049 2.728 1.00 21.66 C ATOM 1646 O THR A 102 1.755 -29.315 2.482 1.00 23.21 O ATOM 1647 CB THR A 102 -0.673 -29.396 0.545 1.00 21.67 C ATOM 1648 OG1 THR A 102 -1.370 -30.411 -0.185 1.00 23.21 O ATOM 1649 CG2 THR A 102 0.709 -29.147 -0.071 1.00 20.03 C ATOM 1650 HA THR A 102 -0.320 -30.875 2.114 1.00 0.00 H ATOM 1651 HB THR A 102 -1.222 -28.456 0.490 1.00 0.00 H ATOM 1652 HG1 THR A 102 -0.876 -31.266 -0.114 1.00 0.00 H ATOM 1653 HG23 THR A 102 1.224 -28.372 0.497 1.00 0.00 H ATOM 1654 HG21 THR A 102 1.290 -30.069 -0.041 1.00 0.00 H ATOM 1655 HG22 THR A 102 0.591 -28.824 -1.105 1.00 0.00 H ATOM 1656 H THR A 102 -2.559 -28.970 2.277 1.00 0.00 H ATOM 1657 N GLY A 103 0.219 -28.098 3.591 1.00 21.06 N ATOM 1658 CA GLY A 103 1.200 -27.388 4.423 1.00 21.68 C ATOM 1659 C GLY A 103 2.275 -28.233 5.093 1.00 22.30 C ATOM 1660 O GLY A 103 3.462 -27.943 4.973 1.00 23.65 O ATOM 1661 HA3 GLY A 103 0.651 -26.869 5.209 1.00 0.00 H ATOM 1662 HA2 GLY A 103 1.703 -26.657 3.789 1.00 0.00 H ATOM 1663 H GLY A 103 -0.787 -27.849 3.679 1.00 0.00 H ATOM 1664 N ARG A 104 1.859 -29.268 5.812 1.00 20.10 N ATOM 1665 CA ARG A 104 2.777 -30.250 6.390 1.00 23.25 C ATOM 1666 C ARG A 104 3.895 -30.687 5.437 1.00 23.66 C ATOM 1667 O ARG A 104 5.075 -30.632 5.778 1.00 20.06 O ATOM 1668 CB ARG A 104 2.007 -31.471 6.876 1.00 21.88 C ATOM 1669 CG ARG A 104 2.872 -32.557 7.523 1.00 22.54 C ATOM 1670 CD ARG A 104 2.168 -33.911 7.399 1.00 22.63 C ATOM 1671 NE ARG A 104 2.848 -34.978 8.127 1.00 21.10 N ATOM 1672 CZ ARG A 104 2.534 -36.263 8.017 1.00 22.61 C ATOM 1673 NH1 ARG A 104 1.547 -36.629 7.205 1.00 21.51 N ATOM 1674 NH2 ARG A 104 3.199 -37.182 8.719 1.00 20.93 N ATOM 1675 HA ARG A 104 3.262 -29.750 7.229 1.00 0.00 H ATOM 1676 HB2 ARG A 104 1.272 -31.140 7.610 1.00 0.00 H ATOM 1677 HB3 ARG A 104 1.492 -31.911 6.022 1.00 0.00 H ATOM 1678 HG2 ARG A 104 3.837 -32.601 7.019 1.00 0.00 H ATOM 1679 HG3 ARG A 104 3.024 -32.321 8.576 1.00 0.00 H ATOM 1680 HD2 ARG A 104 2.123 -34.184 6.345 1.00 0.00 H ATOM 1681 HD3 ARG A 104 1.156 -33.813 7.791 1.00 0.00 H ATOM 1682 HE ARG A 104 3.623 -34.716 8.769 1.00 0.00 H ATOM 1683 HH12 ARG A 104 1.295 -37.634 7.113 1.00 0.00 H ATOM 1684 HH11 ARG A 104 1.027 -35.911 6.662 1.00 0.00 H ATOM 1685 HH22 ARG A 104 2.948 -38.187 8.629 1.00 0.00 H ATOM 1686 HH21 ARG A 104 3.968 -36.893 9.357 1.00 0.00 H ATOM 1687 H ARG A 104 0.838 -29.386 5.971 1.00 0.00 H ATOM 1688 N THR A 105 3.510 -31.134 4.250 1.00 21.24 N ATOM 1689 CA THR A 105 4.466 -31.681 3.304 1.00 20.73 C ATOM 1690 C THR A 105 5.192 -30.575 2.526 1.00 19.63 C ATOM 1691 O THR A 105 6.369 -30.699 2.220 1.00 20.73 O ATOM 1692 CB THR A 105 3.801 -32.747 2.403 1.00 19.43 C ATOM 1693 OG1 THR A 105 3.275 -33.786 3.243 1.00 23.22 O ATOM 1694 CG2 THR A 105 4.794 -33.368 1.431 1.00 19.39 C ATOM 1695 HA THR A 105 5.247 -32.199 3.860 1.00 0.00 H ATOM 1696 HB THR A 105 3.016 -32.262 1.823 1.00 0.00 H ATOM 1697 HG1 THR A 105 4.012 -34.193 3.763 1.00 0.00 H ATOM 1698 HG23 THR A 105 5.203 -32.591 0.785 1.00 0.00 H ATOM 1699 HG21 THR A 105 5.602 -33.839 1.991 1.00 0.00 H ATOM 1700 HG22 THR A 105 4.286 -34.117 0.823 1.00 0.00 H ATOM 1701 H THR A 105 2.504 -31.092 3.991 1.00 0.00 H ATOM 1702 N PHE A 106 4.499 -29.473 2.261 1.00 20.50 N ATOM 1703 CA PHE A 106 5.128 -28.304 1.658 1.00 21.17 C ATOM 1704 C PHE A 106 6.345 -27.812 2.438 1.00 21.82 C ATOM 1705 O PHE A 106 7.357 -27.491 1.844 1.00 19.56 O ATOM 1706 CB PHE A 106 4.107 -27.176 1.468 1.00 20.53 C ATOM 1707 CG PHE A 106 4.698 -25.907 0.919 1.00 25.12 C ATOM 1708 CD1 PHE A 106 5.484 -25.926 -0.230 1.00 21.97 C ATOM 1709 CD2 PHE A 106 4.471 -24.698 1.548 1.00 24.56 C ATOM 1710 CE1 PHE A 106 6.035 -24.757 -0.745 1.00 16.45 C ATOM 1711 CE2 PHE A 106 5.011 -23.513 1.039 1.00 26.33 C ATOM 1712 CZ PHE A 106 5.794 -23.543 -0.107 1.00 23.08 C ATOM 1713 HA PHE A 106 5.495 -28.617 0.680 1.00 0.00 H ATOM 1714 HB2 PHE A 106 3.336 -27.522 0.779 1.00 0.00 H ATOM 1715 HB3 PHE A 106 3.655 -26.955 2.435 1.00 0.00 H ATOM 1716 HD2 PHE A 106 3.863 -24.668 2.452 1.00 0.00 H ATOM 1717 HE2 PHE A 106 4.817 -22.566 1.542 1.00 0.00 H ATOM 1718 HZ PHE A 106 6.218 -22.621 -0.505 1.00 0.00 H ATOM 1719 HE1 PHE A 106 6.652 -24.791 -1.643 1.00 0.00 H ATOM 1720 HD1 PHE A 106 5.671 -26.874 -0.735 1.00 0.00 H ATOM 1721 H PHE A 106 3.485 -29.443 2.489 1.00 0.00 H ATOM 1722 N LYS A 107 6.248 -27.752 3.767 1.00 20.58 N ATOM 1723 CA LYS A 107 7.380 -27.307 4.599 1.00 21.20 C ATOM 1724 C LYS A 107 8.605 -28.222 4.473 1.00 19.88 C ATOM 1725 O LYS A 107 9.737 -27.759 4.498 1.00 23.24 O ATOM 1726 CB LYS A 107 6.962 -27.204 6.059 1.00 14.96 C ATOM 1727 CG LYS A 107 6.048 -26.025 6.366 1.00 23.31 C ATOM 1728 CD LYS A 107 5.675 -25.964 7.878 1.00 23.72 C ATOM 1729 CE LYS A 107 4.533 -26.952 8.194 1.00 28.29 C ATOM 1730 NZ LYS A 107 4.035 -26.931 9.618 1.00 34.72 N ATOM 1731 HA LYS A 107 7.669 -26.323 4.229 1.00 0.00 H ATOM 1732 HB2 LYS A 107 6.440 -28.121 6.331 1.00 0.00 H ATOM 1733 HB3 LYS A 107 7.862 -27.106 6.666 1.00 0.00 H ATOM 1734 HG2 LYS A 107 6.557 -25.102 6.090 1.00 0.00 H ATOM 1735 HG3 LYS A 107 5.134 -26.124 5.780 1.00 0.00 H ATOM 1736 HD2 LYS A 107 6.550 -26.224 8.474 1.00 0.00 H ATOM 1737 HD3 LYS A 107 5.354 -24.953 8.128 1.00 0.00 H ATOM 1738 HE2 LYS A 107 4.889 -27.959 7.977 1.00 0.00 H ATOM 1739 HE3 LYS A 107 3.693 -26.716 7.540 1.00 0.00 H ATOM 1740 HZ1 LYS A 107 4.817 -27.169 10.261 1.00 0.00 H ATOM 1741 HZ2 LYS A 107 3.675 -25.982 9.844 1.00 0.00 H ATOM 1742 HZ3 LYS A 107 3.271 -27.628 9.727 1.00 0.00 H ATOM 1743 H LYS A 107 5.355 -28.025 4.225 1.00 0.00 H ATOM 1744 N LYS A 108 8.367 -29.515 4.312 1.00 21.07 N ATOM 1745 CA LYS A 108 9.436 -30.473 4.093 1.00 20.95 C ATOM 1746 C LYS A 108 10.099 -30.300 2.730 1.00 21.15 C ATOM 1747 O LYS A 108 11.326 -30.300 2.633 1.00 20.51 O ATOM 1748 CB LYS A 108 8.892 -31.896 4.250 1.00 19.87 C ATOM 1749 CG LYS A 108 8.217 -32.129 5.597 1.00 21.82 C ATOM 1750 CD LYS A 108 7.569 -33.521 5.645 1.00 24.66 C ATOM 1751 CE LYS A 108 7.178 -33.899 7.074 1.00 20.90 C ATOM 1752 NZ LYS A 108 6.362 -35.136 7.054 1.00 18.78 N ATOM 1753 HA LYS A 108 10.206 -30.290 4.843 1.00 0.00 H ATOM 1754 HB2 LYS A 108 8.164 -32.079 3.460 1.00 0.00 H ATOM 1755 HB3 LYS A 108 9.720 -32.598 4.150 1.00 0.00 H ATOM 1756 HG2 LYS A 108 8.962 -32.053 6.389 1.00 0.00 H ATOM 1757 HG3 LYS A 108 7.449 -31.371 5.749 1.00 0.00 H ATOM 1758 HD2 LYS A 108 6.676 -33.520 5.020 1.00 0.00 H ATOM 1759 HD3 LYS A 108 8.277 -34.257 5.263 1.00 0.00 H ATOM 1760 HE2 LYS A 108 6.599 -33.089 7.519 1.00 0.00 H ATOM 1761 HE3 LYS A 108 8.079 -34.067 7.665 1.00 0.00 H ATOM 1762 HZ1 LYS A 108 5.503 -34.974 6.491 1.00 0.00 H ATOM 1763 HZ2 LYS A 108 6.915 -35.908 6.630 1.00 0.00 H ATOM 1764 HZ3 LYS A 108 6.097 -35.391 8.027 1.00 0.00 H ATOM 1765 H LYS A 108 7.384 -29.854 4.343 1.00 0.00 H ATOM 1766 N VAL A 109 9.288 -30.151 1.679 1.00 22.24 N ATOM 1767 CA VAL A 109 9.806 -29.923 0.329 1.00 23.33 C ATOM 1768 C VAL A 109 10.561 -28.590 0.275 1.00 23.42 C ATOM 1769 O VAL A 109 11.602 -28.469 -0.366 1.00 19.97 O ATOM 1770 CB VAL A 109 8.648 -29.918 -0.722 1.00 24.29 C ATOM 1771 CG1 VAL A 109 9.142 -29.380 -2.066 1.00 27.33 C ATOM 1772 CG2 VAL A 109 8.081 -31.332 -0.898 1.00 22.18 C ATOM 1773 HA VAL A 109 10.489 -30.737 0.085 1.00 0.00 H ATOM 1774 HB VAL A 109 7.857 -29.264 -0.356 1.00 0.00 H ATOM 1775 HG11 VAL A 109 9.506 -28.361 -1.936 1.00 0.00 H ATOM 1776 HG12 VAL A 109 9.950 -30.012 -2.434 1.00 0.00 H ATOM 1777 HG13 VAL A 109 8.320 -29.385 -2.782 1.00 0.00 H ATOM 1778 HG21 VAL A 109 8.871 -31.999 -1.242 1.00 0.00 H ATOM 1779 HG22 VAL A 109 7.694 -31.688 0.057 1.00 0.00 H ATOM 1780 HG23 VAL A 109 7.276 -31.310 -1.633 1.00 0.00 H ATOM 1781 H VAL A 109 8.259 -30.198 1.824 1.00 0.00 H ATOM 1782 N PHE A 110 10.010 -27.591 0.954 1.00 23.18 N ATOM 1783 CA PHE A 110 10.627 -26.267 1.072 1.00 21.39 C ATOM 1784 C PHE A 110 11.988 -26.321 1.803 1.00 20.41 C ATOM 1785 O PHE A 110 12.981 -25.800 1.303 1.00 19.70 O ATOM 1786 CB PHE A 110 9.639 -25.333 1.782 1.00 20.53 C ATOM 1787 CG PHE A 110 10.047 -23.877 1.800 1.00 21.25 C ATOM 1788 CD1 PHE A 110 11.173 -23.460 2.501 1.00 24.38 C ATOM 1789 CD2 PHE A 110 9.265 -22.920 1.162 1.00 23.84 C ATOM 1790 CE1 PHE A 110 11.529 -22.114 2.540 1.00 24.82 C ATOM 1791 CE2 PHE A 110 9.613 -21.574 1.195 1.00 16.76 C ATOM 1792 CZ PHE A 110 10.740 -21.172 1.892 1.00 20.19 C ATOM 1793 HA PHE A 110 10.842 -25.883 0.075 1.00 0.00 H ATOM 1794 HB2 PHE A 110 8.676 -25.410 1.277 1.00 0.00 H ATOM 1795 HB3 PHE A 110 9.535 -25.669 2.814 1.00 0.00 H ATOM 1796 HD2 PHE A 110 8.366 -23.229 0.628 1.00 0.00 H ATOM 1797 HE2 PHE A 110 9.001 -20.838 0.674 1.00 0.00 H ATOM 1798 HZ PHE A 110 11.008 -20.116 1.932 1.00 0.00 H ATOM 1799 HE1 PHE A 110 12.424 -21.801 3.077 1.00 0.00 H ATOM 1800 HD1 PHE A 110 11.784 -24.195 3.026 1.00 0.00 H ATOM 1801 H PHE A 110 9.097 -27.756 1.424 1.00 0.00 H ATOM 1802 N ASP A 111 12.032 -26.960 2.972 1.00 19.69 N ATOM 1803 CA ASP A 111 13.295 -27.174 3.690 1.00 19.96 C ATOM 1804 C ASP A 111 14.349 -27.876 2.819 1.00 21.60 C ATOM 1805 O ASP A 111 15.503 -27.446 2.759 1.00 21.08 O ATOM 1806 CB ASP A 111 13.074 -28.025 4.951 1.00 21.16 C ATOM 1807 CG ASP A 111 12.410 -27.251 6.079 1.00 24.87 C ATOM 1808 OD1 ASP A 111 12.104 -26.051 5.892 1.00 19.16 O ATOM 1809 OD2 ASP A 111 12.205 -27.850 7.152 1.00 24.34 O ATOM 1810 HA ASP A 111 13.660 -26.183 3.960 1.00 0.00 H ATOM 1811 HB2 ASP A 111 12.441 -28.874 4.692 1.00 0.00 H ATOM 1812 HB3 ASP A 111 14.041 -28.388 5.300 1.00 0.00 H ATOM 1813 H ASP A 111 11.148 -27.317 3.387 1.00 0.00 H ATOM 1814 N LEU A 112 13.947 -28.979 2.183 1.00 19.62 N ATOM 1815 CA LEU A 112 14.840 -29.796 1.370 1.00 17.50 C ATOM 1816 C LEU A 112 15.414 -28.961 0.225 1.00 19.35 C ATOM 1817 O LEU A 112 16.632 -28.937 0.002 1.00 25.42 O ATOM 1818 CB LEU A 112 14.099 -31.050 0.843 1.00 14.80 C ATOM 1819 CG LEU A 112 13.950 -32.218 1.834 1.00 17.35 C ATOM 1820 CD1 LEU A 112 13.027 -33.333 1.317 1.00 17.44 C ATOM 1821 CD2 LEU A 112 15.312 -32.810 2.176 1.00 15.00 C ATOM 1822 HA LEU A 112 15.670 -30.140 1.987 1.00 0.00 H ATOM 1823 HB2 LEU A 112 13.099 -30.742 0.539 1.00 0.00 H ATOM 1824 HB3 LEU A 112 14.644 -31.418 -0.026 1.00 0.00 H ATOM 1825 HG LEU A 112 13.489 -31.798 2.728 1.00 0.00 H ATOM 1826 HD21 LEU A 112 15.786 -33.177 1.266 1.00 0.00 H ATOM 1827 HD22 LEU A 112 15.938 -32.041 2.628 1.00 0.00 H ATOM 1828 HD23 LEU A 112 15.183 -33.634 2.878 1.00 0.00 H ATOM 1829 HD11 LEU A 112 12.033 -32.925 1.135 1.00 0.00 H ATOM 1830 HD12 LEU A 112 13.431 -33.736 0.389 1.00 0.00 H ATOM 1831 HD13 LEU A 112 12.965 -34.126 2.062 1.00 0.00 H ATOM 1832 H LEU A 112 12.952 -29.268 2.271 1.00 0.00 H ATOM 1833 N MET A 113 14.548 -28.248 -0.484 1.00 21.16 N ATOM 1834 CA MET A 113 14.995 -27.405 -1.582 1.00 22.35 C ATOM 1835 C MET A 113 15.934 -26.298 -1.105 1.00 23.70 C ATOM 1836 O MET A 113 16.908 -25.967 -1.778 1.00 23.62 O ATOM 1837 CB MET A 113 13.806 -26.788 -2.324 1.00 22.03 C ATOM 1838 CG MET A 113 14.210 -26.069 -3.612 1.00 26.66 C ATOM 1839 SD MET A 113 15.054 -27.152 -4.805 1.00 34.21 S ATOM 1840 CE MET A 113 13.722 -28.307 -5.153 1.00 29.09 C ATOM 1841 HA MET A 113 15.547 -28.049 -2.267 1.00 0.00 H ATOM 1842 HB2 MET A 113 13.104 -27.583 -2.576 1.00 0.00 H ATOM 1843 HB3 MET A 113 13.319 -26.070 -1.664 1.00 0.00 H ATOM 1844 HG2 MET A 113 14.880 -25.248 -3.355 1.00 0.00 H ATOM 1845 HG3 MET A 113 13.311 -25.670 -4.082 1.00 0.00 H ATOM 1846 HE1 MET A 113 13.424 -28.805 -4.230 1.00 0.00 H ATOM 1847 HE2 MET A 113 12.871 -27.765 -5.566 1.00 0.00 H ATOM 1848 HE3 MET A 113 14.065 -29.049 -5.873 1.00 0.00 H ATOM 1849 H MET A 113 13.535 -28.293 -0.251 1.00 0.00 H ATOM 1850 N GLU A 114 15.641 -25.719 0.053 1.00 20.11 N ATOM 1851 CA GLU A 114 16.466 -24.631 0.534 1.00 21.30 C ATOM 1852 C GLU A 114 17.887 -25.128 0.698 1.00 20.93 C ATOM 1853 O GLU A 114 18.838 -24.504 0.212 1.00 22.65 O ATOM 1854 CB GLU A 114 15.943 -24.077 1.859 1.00 20.00 C ATOM 1855 CG GLU A 114 16.597 -22.760 2.262 1.00 23.33 C ATOM 1856 CD GLU A 114 16.388 -22.409 3.729 1.00 25.69 C ATOM 1857 OE1 GLU A 114 15.627 -23.117 4.426 1.00 26.69 O ATOM 1858 OE2 GLU A 114 16.991 -21.416 4.190 1.00 23.56 O ATOM 1859 HA GLU A 114 16.436 -23.820 -0.193 1.00 0.00 H ATOM 1860 HB2 GLU A 114 14.869 -23.916 1.767 1.00 0.00 H ATOM 1861 HB3 GLU A 114 16.134 -24.812 2.641 1.00 0.00 H ATOM 1862 HG2 GLU A 114 17.668 -22.833 2.072 1.00 0.00 H ATOM 1863 HG3 GLU A 114 16.174 -21.962 1.651 1.00 0.00 H ATOM 1864 H GLU A 114 14.825 -26.044 0.610 1.00 0.00 H ATOM 1865 N LEU A 115 18.022 -26.256 1.387 1.00 20.92 N ATOM 1866 CA LEU A 115 19.335 -26.786 1.716 1.00 22.79 C ATOM 1867 C LEU A 115 20.011 -27.451 0.532 1.00 21.76 C ATOM 1868 O LEU A 115 21.240 -27.469 0.462 1.00 24.17 O ATOM 1869 CB LEU A 115 19.283 -27.725 2.936 1.00 23.38 C ATOM 1870 CG LEU A 115 18.861 -27.018 4.231 1.00 28.41 C ATOM 1871 CD1 LEU A 115 19.171 -27.885 5.449 1.00 24.23 C ATOM 1872 CD2 LEU A 115 19.537 -25.641 4.351 1.00 25.42 C ATOM 1873 HA LEU A 115 19.952 -25.929 1.986 1.00 0.00 H ATOM 1874 HB2 LEU A 115 18.569 -28.522 2.729 1.00 0.00 H ATOM 1875 HB3 LEU A 115 20.274 -28.155 3.084 1.00 0.00 H ATOM 1876 HG LEU A 115 17.783 -26.861 4.194 1.00 0.00 H ATOM 1877 HD21 LEU A 115 20.620 -25.768 4.358 1.00 0.00 H ATOM 1878 HD22 LEU A 115 19.248 -25.021 3.503 1.00 0.00 H ATOM 1879 HD23 LEU A 115 19.221 -25.162 5.277 1.00 0.00 H ATOM 1880 HD11 LEU A 115 18.629 -28.827 5.370 1.00 0.00 H ATOM 1881 HD12 LEU A 115 20.242 -28.083 5.489 1.00 0.00 H ATOM 1882 HD13 LEU A 115 18.863 -27.362 6.354 1.00 0.00 H ATOM 1883 H LEU A 115 17.172 -26.769 1.697 1.00 0.00 H ATOM 1884 N LYS A 116 19.234 -27.980 -0.410 1.00 18.92 N ATOM 1885 CA LYS A 116 19.839 -28.478 -1.655 1.00 21.45 C ATOM 1886 C LYS A 116 20.478 -27.357 -2.468 1.00 23.06 C ATOM 1887 O LYS A 116 21.609 -27.482 -2.939 1.00 25.40 O ATOM 1888 CB LYS A 116 18.823 -29.224 -2.524 1.00 18.11 C ATOM 1889 CG LYS A 116 18.566 -30.646 -2.032 1.00 20.32 C ATOM 1890 CD LYS A 116 17.342 -31.263 -2.672 1.00 23.36 C ATOM 1891 CE LYS A 116 16.811 -32.377 -1.766 1.00 21.63 C ATOM 1892 NZ LYS A 116 15.955 -33.344 -2.519 1.00 27.53 N ATOM 1893 HA LYS A 116 20.620 -29.176 -1.352 1.00 0.00 H ATOM 1894 HB2 LYS A 116 17.882 -28.674 -2.512 1.00 0.00 H ATOM 1895 HB3 LYS A 116 19.203 -29.270 -3.545 1.00 0.00 H ATOM 1896 HG2 LYS A 116 19.434 -31.261 -2.269 1.00 0.00 H ATOM 1897 HG3 LYS A 116 18.423 -30.623 -0.952 1.00 0.00 H ATOM 1898 HD2 LYS A 116 16.574 -30.500 -2.802 1.00 0.00 H ATOM 1899 HD3 LYS A 116 17.608 -31.678 -3.644 1.00 0.00 H ATOM 1900 HE2 LYS A 116 16.220 -31.930 -0.966 1.00 0.00 H ATOM 1901 HE3 LYS A 116 17.656 -32.914 -1.335 1.00 0.00 H ATOM 1902 HZ1 LYS A 116 15.143 -32.840 -2.928 1.00 0.00 H ATOM 1903 HZ2 LYS A 116 16.514 -33.780 -3.280 1.00 0.00 H ATOM 1904 HZ3 LYS A 116 15.615 -34.083 -1.870 1.00 0.00 H ATOM 1905 H LYS A 116 18.206 -28.041 -0.267 1.00 0.00 H ATOM 1906 N LYS A 117 19.737 -26.270 -2.637 1.00 24.03 N ATOM 1907 CA LYS A 117 20.234 -25.104 -3.356 1.00 25.92 C ATOM 1908 C LYS A 117 21.398 -24.429 -2.631 1.00 23.72 C ATOM 1909 O LYS A 117 22.236 -23.795 -3.262 1.00 24.75 O ATOM 1910 CB LYS A 117 19.095 -24.114 -3.605 1.00 25.22 C ATOM 1911 CG LYS A 117 17.992 -24.700 -4.455 1.00 31.30 C ATOM 1912 CD LYS A 117 17.403 -23.668 -5.415 1.00 38.08 C ATOM 1913 CE LYS A 117 16.454 -24.317 -6.429 1.00 38.47 C ATOM 1914 NZ LYS A 117 17.127 -24.422 -7.757 1.00 36.08 N ATOM 1915 HA LYS A 117 20.620 -25.448 -4.315 1.00 0.00 H ATOM 1916 HB2 LYS A 117 18.675 -23.816 -2.644 1.00 0.00 H ATOM 1917 HB3 LYS A 117 19.498 -23.237 -4.112 1.00 0.00 H ATOM 1918 HG2 LYS A 117 18.396 -25.530 -5.034 1.00 0.00 H ATOM 1919 HG3 LYS A 117 17.200 -25.066 -3.802 1.00 0.00 H ATOM 1920 HD2 LYS A 117 16.852 -22.924 -4.840 1.00 0.00 H ATOM 1921 HD3 LYS A 117 18.216 -23.180 -5.953 1.00 0.00 H ATOM 1922 HE2 LYS A 117 15.556 -23.707 -6.526 1.00 0.00 H ATOM 1923 HE3 LYS A 117 16.180 -25.313 -6.082 1.00 0.00 H ATOM 1924 HZ1 LYS A 117 17.387 -23.471 -8.089 1.00 0.00 H ATOM 1925 HZ2 LYS A 117 17.983 -25.005 -7.665 1.00 0.00 H ATOM 1926 HZ3 LYS A 117 16.478 -24.863 -8.439 1.00 0.00 H ATOM 1927 H LYS A 117 18.774 -26.249 -2.245 1.00 0.00 H ATOM 1928 N ALA A 118 21.449 -24.580 -1.307 1.00 23.34 N ATOM 1929 CA ALA A 118 22.551 -24.039 -0.501 1.00 21.87 C ATOM 1930 C ALA A 118 23.760 -24.973 -0.517 1.00 22.93 C ATOM 1931 O ALA A 118 24.811 -24.645 0.026 1.00 25.11 O ATOM 1932 CB ALA A 118 22.093 -23.797 0.950 1.00 18.27 C ATOM 1933 HA ALA A 118 22.847 -23.088 -0.943 1.00 0.00 H ATOM 1934 HB1 ALA A 118 21.268 -23.085 0.955 1.00 0.00 H ATOM 1935 HB2 ALA A 118 21.764 -24.739 1.388 1.00 0.00 H ATOM 1936 HB3 ALA A 118 22.924 -23.396 1.530 1.00 0.00 H ATOM 1937 H ALA A 118 20.684 -25.098 -0.830 1.00 0.00 H ATOM 1938 N GLY A 119 23.606 -26.142 -1.134 1.00 23.99 N ATOM 1939 CA GLY A 119 24.740 -27.056 -1.331 1.00 22.34 C ATOM 1940 C GLY A 119 25.056 -27.824 -0.064 1.00 21.12 C ATOM 1941 O GLY A 119 26.156 -28.349 0.088 1.00 21.10 O ATOM 1942 HA3 GLY A 119 25.616 -26.477 -1.623 1.00 0.00 H ATOM 1943 HA2 GLY A 119 24.493 -27.763 -2.123 1.00 0.00 H ATOM 1944 H GLY A 119 22.665 -26.414 -1.484 1.00 0.00 H ATOM 1945 N LYS A 120 24.080 -27.891 0.840 1.00 19.24 N ATOM 1946 CA LYS A 120 24.279 -28.375 2.214 1.00 21.65 C ATOM 1947 C LYS A 120 23.936 -29.856 2.345 1.00 24.67 C ATOM 1948 O LYS A 120 24.419 -30.525 3.262 1.00 25.69 O ATOM 1949 CB LYS A 120 23.371 -27.602 3.190 1.00 20.09 C ATOM 1950 CG LYS A 120 23.720 -26.133 3.363 1.00 28.96 C ATOM 1951 CD LYS A 120 25.189 -25.939 3.750 1.00 31.69 C ATOM 1952 CE LYS A 120 25.621 -24.488 3.581 1.00 33.77 C ATOM 1953 NZ LYS A 120 26.987 -24.231 4.151 1.00 42.20 N ATOM 1954 HA LYS A 120 25.331 -28.220 2.453 1.00 0.00 H ATOM 1955 HB2 LYS A 120 22.347 -27.666 2.822 1.00 0.00 H ATOM 1956 HB3 LYS A 120 23.436 -28.083 4.166 1.00 0.00 H ATOM 1957 HG2 LYS A 120 23.530 -25.612 2.424 1.00 0.00 H ATOM 1958 HG3 LYS A 120 23.090 -25.710 4.145 1.00 0.00 H ATOM 1959 HD2 LYS A 120 25.323 -26.230 4.792 1.00 0.00 H ATOM 1960 HD3 LYS A 120 25.810 -26.571 3.115 1.00 0.00 H ATOM 1961 HE2 LYS A 120 24.902 -23.846 4.090 1.00 0.00 H ATOM 1962 HE3 LYS A 120 25.633 -24.247 2.518 1.00 0.00 H ATOM 1963 HZ1 LYS A 120 26.984 -24.451 5.167 1.00 0.00 H ATOM 1964 HZ2 LYS A 120 27.682 -24.834 3.667 1.00 0.00 H ATOM 1965 HZ3 LYS A 120 27.237 -23.231 4.012 1.00 0.00 H ATOM 1966 H LYS A 120 23.127 -27.585 0.559 1.00 0.00 H ATOM 1967 N VAL A 121 23.055 -30.338 1.460 1.00 21.87 N ATOM 1968 CA VAL A 121 22.665 -31.745 1.392 1.00 23.59 C ATOM 1969 C VAL A 121 22.665 -32.162 -0.090 1.00 26.93 C ATOM 1970 O VAL A 121 22.550 -31.311 -0.969 1.00 27.71 O ATOM 1971 CB VAL A 121 21.246 -31.985 2.015 1.00 22.68 C ATOM 1972 CG1 VAL A 121 21.198 -31.508 3.459 1.00 18.82 C ATOM 1973 CG2 VAL A 121 20.175 -31.278 1.209 1.00 19.63 C ATOM 1974 HA VAL A 121 23.372 -32.342 1.967 1.00 0.00 H ATOM 1975 HB VAL A 121 21.054 -33.058 1.992 1.00 0.00 H ATOM 1976 HG11 VAL A 121 21.936 -32.055 4.046 1.00 0.00 H ATOM 1977 HG12 VAL A 121 21.421 -30.442 3.496 1.00 0.00 H ATOM 1978 HG13 VAL A 121 20.203 -31.686 3.866 1.00 0.00 H ATOM 1979 HG21 VAL A 121 20.377 -30.207 1.199 1.00 0.00 H ATOM 1980 HG22 VAL A 121 20.179 -31.660 0.188 1.00 0.00 H ATOM 1981 HG23 VAL A 121 19.201 -31.461 1.662 1.00 0.00 H ATOM 1982 H VAL A 121 22.625 -29.675 0.784 1.00 0.00 H ATOM 1983 N PRO A 122 22.837 -33.467 -0.377 1.00 26.76 N ATOM 1984 CA PRO A 122 22.800 -33.897 -1.781 1.00 25.57 C ATOM 1985 C PRO A 122 21.439 -33.740 -2.443 1.00 23.56 C ATOM 1986 O PRO A 122 20.411 -33.633 -1.764 1.00 21.33 O ATOM 1987 CB PRO A 122 23.209 -35.381 -1.722 1.00 28.72 C ATOM 1988 CG PRO A 122 23.039 -35.791 -0.301 1.00 24.39 C ATOM 1989 CD PRO A 122 23.111 -34.573 0.557 1.00 25.82 C ATOM 1990 HA PRO A 122 23.458 -33.278 -2.391 1.00 0.00 H ATOM 1991 HD3 PRO A 122 22.361 -34.609 1.347 1.00 0.00 H ATOM 1992 HD2 PRO A 122 24.101 -34.469 1.002 1.00 0.00 H ATOM 1993 HG3 PRO A 122 23.832 -36.485 -0.021 1.00 0.00 H ATOM 1994 HG2 PRO A 122 22.071 -36.275 -0.171 1.00 0.00 H ATOM 1995 HB2 PRO A 122 22.567 -35.978 -2.369 1.00 0.00 H ATOM 1996 HB3 PRO A 122 24.247 -35.502 -2.031 1.00 0.00 H ATOM 1997 N GLN A 123 21.432 -33.727 -3.769 1.00 21.88 N ATOM 1998 CA GLN A 123 20.210 -33.476 -4.533 1.00 22.05 C ATOM 1999 C GLN A 123 19.126 -34.527 -4.327 1.00 21.14 C ATOM 2000 O GLN A 123 17.938 -34.246 -4.508 1.00 21.58 O ATOM 2001 CB GLN A 123 20.538 -33.364 -6.037 1.00 26.57 C ATOM 2002 CG GLN A 123 21.454 -32.191 -6.377 1.00 33.28 C ATOM 2003 CD GLN A 123 20.933 -30.845 -5.863 1.00 39.61 C ATOM 2004 OE1 GLN A 123 21.638 -30.128 -5.146 1.00 47.68 O ATOM 2005 NE2 GLN A 123 19.702 -30.494 -6.242 1.00 36.91 N ATOM 2006 HA GLN A 123 19.809 -32.536 -4.155 1.00 0.00 H ATOM 2007 HB2 GLN A 123 21.026 -34.286 -6.353 1.00 0.00 H ATOM 2008 HB3 GLN A 123 19.604 -33.243 -6.586 1.00 0.00 H ATOM 2009 HG2 GLN A 123 22.432 -32.376 -5.933 1.00 0.00 H ATOM 2010 HG3 GLN A 123 21.554 -32.132 -7.461 1.00 0.00 H ATOM 2011 HE22 GLN A 123 19.143 -31.129 -6.847 1.00 0.00 H ATOM 2012 HE21 GLN A 123 19.302 -29.585 -5.932 1.00 0.00 H ATOM 2013 H GLN A 123 22.321 -33.900 -4.280 1.00 0.00 H ATOM 2014 N HIS A 124 19.520 -35.749 -3.973 1.00 19.98 N ATOM 2015 CA HIS A 124 18.526 -36.811 -3.726 1.00 18.93 C ATOM 2016 C HIS A 124 18.161 -36.946 -2.247 1.00 19.47 C ATOM 2017 O HIS A 124 17.444 -37.868 -1.867 1.00 19.44 O ATOM 2018 CB HIS A 124 19.051 -38.155 -4.250 1.00 18.53 C ATOM 2019 CG HIS A 124 20.222 -38.678 -3.479 1.00 14.71 C ATOM 2020 ND1 HIS A 124 21.404 -37.982 -3.358 1.00 21.72 N ATOM 2021 CD2 HIS A 124 20.385 -39.819 -2.766 1.00 17.89 C ATOM 2022 CE1 HIS A 124 22.250 -38.675 -2.618 1.00 13.08 C ATOM 2023 NE2 HIS A 124 21.655 -39.793 -2.241 1.00 17.53 N ATOM 2024 HA HIS A 124 17.620 -36.526 -4.261 1.00 0.00 H ATOM 2025 HB2 HIS A 124 18.245 -38.887 -4.193 1.00 0.00 H ATOM 2026 HB3 HIS A 124 19.351 -38.027 -5.290 1.00 0.00 H ATOM 2027 HD2 HIS A 124 19.647 -40.610 -2.634 1.00 0.00 H ATOM 2028 HE1 HIS A 124 23.266 -38.376 -2.362 1.00 0.00 H ATOM 2029 H HIS A 124 20.534 -35.956 -3.870 1.00 0.00 H ATOM 2030 N GLN A 125 18.653 -36.030 -1.413 1.00 18.15 N ATOM 2031 CA GLN A 125 18.304 -36.031 0.005 1.00 20.80 C ATOM 2032 C GLN A 125 16.799 -36.194 0.275 1.00 23.25 C ATOM 2033 O GLN A 125 15.970 -35.473 -0.287 1.00 23.41 O ATOM 2034 CB GLN A 125 18.846 -34.779 0.714 1.00 19.33 C ATOM 2035 CG GLN A 125 18.550 -34.739 2.214 1.00 19.92 C ATOM 2036 CD GLN A 125 19.413 -35.698 3.015 1.00 16.18 C ATOM 2037 OE1 GLN A 125 20.628 -35.768 2.823 1.00 15.76 O ATOM 2038 NE2 GLN A 125 18.786 -36.440 3.937 1.00 18.34 N ATOM 2039 HA GLN A 125 18.787 -36.915 0.422 1.00 0.00 H ATOM 2040 HB2 GLN A 125 19.927 -34.747 0.576 1.00 0.00 H ATOM 2041 HB3 GLN A 125 18.396 -33.901 0.252 1.00 0.00 H ATOM 2042 HG2 GLN A 125 18.727 -33.726 2.576 1.00 0.00 H ATOM 2043 HG3 GLN A 125 17.503 -35.001 2.369 1.00 0.00 H ATOM 2044 HE22 GLN A 125 17.758 -36.349 4.066 1.00 0.00 H ATOM 2045 HE21 GLN A 125 19.327 -37.107 4.524 1.00 0.00 H ATOM 2046 H GLN A 125 19.298 -35.301 -1.779 1.00 0.00 H ATOM 2047 N ARG A 126 16.467 -37.132 1.163 1.00 21.39 N ATOM 2048 CA ARG A 126 15.094 -37.351 1.615 1.00 23.49 C ATOM 2049 C ARG A 126 14.871 -36.719 2.983 1.00 21.30 C ATOM 2050 O ARG A 126 15.818 -36.275 3.637 1.00 21.05 O ATOM 2051 CB ARG A 126 14.788 -38.862 1.703 1.00 22.23 C ATOM 2052 CG ARG A 126 14.806 -39.584 0.352 1.00 30.08 C ATOM 2053 CD ARG A 126 14.212 -40.989 0.460 1.00 32.80 C ATOM 2054 NE ARG A 126 12.885 -40.954 1.074 1.00 54.26 N ATOM 2055 CZ ARG A 126 11.824 -40.349 0.536 1.00 67.20 C ATOM 2056 NH1 ARG A 126 11.927 -39.728 -0.637 1.00 67.36 N ATOM 2057 NH2 ARG A 126 10.655 -40.364 1.172 1.00 68.53 N ATOM 2058 HA ARG A 126 14.426 -36.886 0.890 1.00 0.00 H ATOM 2059 HB2 ARG A 126 15.534 -39.325 2.349 1.00 0.00 H ATOM 2060 HB3 ARG A 126 13.799 -38.986 2.145 1.00 0.00 H ATOM 2061 HG2 ARG A 126 14.223 -39.007 -0.366 1.00 0.00 H ATOM 2062 HG3 ARG A 126 15.836 -39.660 0.004 1.00 0.00 H ATOM 2063 HD2 ARG A 126 14.870 -41.608 1.069 1.00 0.00 H ATOM 2064 HD3 ARG A 126 14.131 -41.419 -0.538 1.00 0.00 H ATOM 2065 HE ARG A 126 12.760 -41.432 1.989 1.00 0.00 H ATOM 2066 HH12 ARG A 126 11.097 -39.258 -1.051 1.00 0.00 H ATOM 2067 HH11 ARG A 126 12.838 -39.713 -1.139 1.00 0.00 H ATOM 2068 HH22 ARG A 126 9.829 -39.892 0.752 1.00 0.00 H ATOM 2069 HH21 ARG A 126 10.568 -40.847 2.089 1.00 0.00 H ATOM 2070 H ARG A 126 17.219 -37.735 1.552 1.00 0.00 H ATOM 2071 N TYR A 127 13.616 -36.685 3.416 1.00 20.92 N ATOM 2072 CA TYR A 127 13.274 -36.019 4.665 1.00 21.89 C ATOM 2073 C TYR A 127 13.477 -36.948 5.857 1.00 22.50 C ATOM 2074 O TYR A 127 12.533 -37.561 6.337 1.00 24.61 O ATOM 2075 CB TYR A 127 11.842 -35.491 4.640 1.00 23.13 C ATOM 2076 CG TYR A 127 11.583 -34.496 5.752 1.00 23.15 C ATOM 2077 CD1 TYR A 127 11.962 -33.173 5.615 1.00 22.13 C ATOM 2078 CD2 TYR A 127 10.999 -34.893 6.953 1.00 16.39 C ATOM 2079 CE1 TYR A 127 11.748 -32.257 6.629 1.00 17.05 C ATOM 2080 CE2 TYR A 127 10.780 -33.981 7.981 1.00 20.24 C ATOM 2081 CZ TYR A 127 11.157 -32.660 7.806 1.00 26.01 C ATOM 2082 OH TYR A 127 10.958 -31.722 8.809 1.00 30.63 O ATOM 2083 HA TYR A 127 13.947 -35.168 4.774 1.00 0.00 H ATOM 2084 HB3 TYR A 127 11.155 -36.330 4.752 1.00 0.00 H ATOM 2085 HB2 TYR A 127 11.664 -35.002 3.682 1.00 0.00 H ATOM 2086 HD2 TYR A 127 10.709 -35.935 7.090 1.00 0.00 H ATOM 2087 HE2 TYR A 127 10.317 -34.303 8.914 1.00 0.00 H ATOM 2088 HE1 TYR A 127 12.047 -31.217 6.497 1.00 0.00 H ATOM 2089 HD1 TYR A 127 12.438 -32.846 4.691 1.00 0.00 H ATOM 2090 HH TYR A 127 11.288 -30.840 8.504 1.00 0.00 H ATOM 2091 H TYR A 127 12.867 -37.140 2.856 1.00 0.00 H ATOM 2092 N THR A 128 14.717 -37.058 6.324 1.00 19.11 N ATOM 2093 CA THR A 128 15.082 -38.096 7.296 1.00 17.65 C ATOM 2094 C THR A 128 15.257 -37.440 8.669 1.00 19.70 C ATOM 2095 O THR A 128 15.190 -36.210 8.782 1.00 19.41 O ATOM 2096 CB THR A 128 16.418 -38.739 6.907 1.00 15.09 C ATOM 2097 OG1 THR A 128 17.410 -37.710 6.836 1.00 16.94 O ATOM 2098 CG2 THR A 128 16.321 -39.402 5.537 1.00 13.62 C ATOM 2099 HA THR A 128 14.300 -38.855 7.317 1.00 0.00 H ATOM 2100 HB THR A 128 16.677 -39.493 7.650 1.00 0.00 H ATOM 2101 HG1 THR A 128 18.281 -38.109 6.585 1.00 0.00 H ATOM 2102 HG23 THR A 128 15.569 -40.191 5.569 1.00 0.00 H ATOM 2103 HG21 THR A 128 16.037 -38.657 4.794 1.00 0.00 H ATOM 2104 HG22 THR A 128 17.288 -39.830 5.273 1.00 0.00 H ATOM 2105 H THR A 128 15.445 -36.393 5.993 1.00 0.00 H ATOM 2106 N ALA A 129 15.481 -38.255 9.698 1.00 16.55 N ATOM 2107 CA ALA A 129 15.800 -37.747 11.024 1.00 20.20 C ATOM 2108 C ALA A 129 17.093 -36.936 10.988 1.00 22.86 C ATOM 2109 O ALA A 129 17.191 -35.873 11.611 1.00 22.29 O ATOM 2110 CB ALA A 129 15.931 -38.910 12.025 1.00 18.63 C ATOM 2111 HA ALA A 129 14.989 -37.095 11.348 1.00 0.00 H ATOM 2112 HB1 ALA A 129 14.989 -39.457 12.070 1.00 0.00 H ATOM 2113 HB2 ALA A 129 16.727 -39.580 11.699 1.00 0.00 H ATOM 2114 HB3 ALA A 129 16.170 -38.513 13.012 1.00 0.00 H ATOM 2115 H ALA A 129 15.426 -39.283 9.550 1.00 0.00 H ATOM 2116 N GLU A 130 18.093 -37.457 10.279 1.00 23.25 N ATOM 2117 CA GLU A 130 19.323 -36.711 10.046 1.00 23.19 C ATOM 2118 C GLU A 130 19.029 -35.352 9.443 1.00 19.85 C ATOM 2119 O GLU A 130 19.516 -34.336 9.928 1.00 24.19 O ATOM 2120 CB GLU A 130 20.284 -37.486 9.128 1.00 25.65 C ATOM 2121 CG GLU A 130 21.687 -36.885 9.101 1.00 28.96 C ATOM 2122 CD GLU A 130 22.492 -37.210 7.836 1.00 30.71 C ATOM 2123 OE1 GLU A 130 21.904 -37.585 6.794 1.00 24.84 O ATOM 2124 OE2 GLU A 130 23.731 -37.073 7.893 1.00 28.64 O ATOM 2125 HA GLU A 130 19.803 -36.573 11.015 1.00 0.00 H ATOM 2126 HB2 GLU A 130 20.352 -38.515 9.483 1.00 0.00 H ATOM 2127 HB3 GLU A 130 19.881 -37.478 8.115 1.00 0.00 H ATOM 2128 HG2 GLU A 130 21.596 -35.802 9.178 1.00 0.00 H ATOM 2129 HG3 GLU A 130 22.237 -37.264 9.962 1.00 0.00 H ATOM 2130 H GLU A 130 17.994 -38.414 9.884 1.00 0.00 H ATOM 2131 N PHE A 131 18.247 -35.326 8.369 1.00 19.31 N ATOM 2132 CA PHE A 131 17.914 -34.062 7.732 1.00 18.19 C ATOM 2133 C PHE A 131 17.259 -33.041 8.660 1.00 21.64 C ATOM 2134 O PHE A 131 17.593 -31.853 8.613 1.00 18.33 O ATOM 2135 CB PHE A 131 17.061 -34.220 6.477 1.00 18.70 C ATOM 2136 CG PHE A 131 16.730 -32.900 5.833 1.00 19.98 C ATOM 2137 CD1 PHE A 131 17.670 -32.256 5.033 1.00 21.94 C ATOM 2138 CD2 PHE A 131 15.511 -32.273 6.082 1.00 17.63 C ATOM 2139 CE1 PHE A 131 17.392 -31.016 4.459 1.00 19.85 C ATOM 2140 CE2 PHE A 131 15.224 -31.039 5.523 1.00 18.44 C ATOM 2141 CZ PHE A 131 16.166 -30.408 4.708 1.00 19.73 C ATOM 2142 HA PHE A 131 18.890 -33.671 7.445 1.00 0.00 H ATOM 2143 HB2 PHE A 131 17.606 -34.832 5.759 1.00 0.00 H ATOM 2144 HB3 PHE A 131 16.131 -34.720 6.747 1.00 0.00 H ATOM 2145 HD2 PHE A 131 14.776 -32.759 6.723 1.00 0.00 H ATOM 2146 HE2 PHE A 131 14.264 -30.561 5.719 1.00 0.00 H ATOM 2147 HZ PHE A 131 15.940 -29.437 4.266 1.00 0.00 H ATOM 2148 HE1 PHE A 131 18.129 -30.528 3.821 1.00 0.00 H ATOM 2149 HD1 PHE A 131 18.636 -32.727 4.853 1.00 0.00 H ATOM 2150 H PHE A 131 17.871 -36.215 7.982 1.00 0.00 H ATOM 2151 N VAL A 132 16.316 -33.497 9.479 1.00 21.14 N ATOM 2152 CA VAL A 132 15.717 -32.638 10.506 1.00 25.13 C ATOM 2153 C VAL A 132 16.750 -31.939 11.420 1.00 24.09 C ATOM 2154 O VAL A 132 16.654 -30.739 11.660 1.00 24.43 O ATOM 2155 CB VAL A 132 14.647 -33.406 11.325 1.00 25.77 C ATOM 2156 CG1 VAL A 132 14.155 -32.572 12.517 1.00 27.33 C ATOM 2157 CG2 VAL A 132 13.463 -33.773 10.424 1.00 28.28 C ATOM 2158 HA VAL A 132 15.221 -31.830 9.968 1.00 0.00 H ATOM 2159 HB VAL A 132 15.106 -34.316 11.712 1.00 0.00 H ATOM 2160 HG11 VAL A 132 14.997 -32.344 13.171 1.00 0.00 H ATOM 2161 HG12 VAL A 132 13.714 -31.644 12.152 1.00 0.00 H ATOM 2162 HG13 VAL A 132 13.406 -33.138 13.071 1.00 0.00 H ATOM 2163 HG21 VAL A 132 13.021 -32.863 10.019 1.00 0.00 H ATOM 2164 HG22 VAL A 132 13.812 -34.404 9.607 1.00 0.00 H ATOM 2165 HG23 VAL A 132 12.717 -34.312 11.008 1.00 0.00 H ATOM 2166 H VAL A 132 15.997 -34.483 9.390 1.00 0.00 H ATOM 2167 N GLN A 133 17.738 -32.692 11.904 1.00 24.49 N ATOM 2168 CA GLN A 133 18.858 -32.135 12.670 1.00 24.28 C ATOM 2169 C GLN A 133 19.726 -31.158 11.873 1.00 25.28 C ATOM 2170 O GLN A 133 20.181 -30.145 12.417 1.00 27.81 O ATOM 2171 CB GLN A 133 19.751 -33.259 13.210 1.00 21.21 C ATOM 2172 CG GLN A 133 20.744 -32.789 14.252 1.00 26.88 C ATOM 2173 CD GLN A 133 20.061 -32.100 15.438 1.00 37.04 C ATOM 2174 OE1 GLN A 133 19.155 -32.655 16.054 1.00 31.70 O ATOM 2175 NE2 GLN A 133 20.507 -30.891 15.760 1.00 36.09 N ATOM 2176 HA GLN A 133 18.402 -31.575 13.486 1.00 0.00 H ATOM 2177 HB2 GLN A 133 19.114 -34.022 13.658 1.00 0.00 H ATOM 2178 HB3 GLN A 133 20.303 -33.693 12.376 1.00 0.00 H ATOM 2179 HG2 GLN A 133 21.300 -33.651 14.620 1.00 0.00 H ATOM 2180 HG3 GLN A 133 21.434 -32.085 13.787 1.00 0.00 H ATOM 2181 HE22 GLN A 133 21.277 -30.458 15.211 1.00 0.00 H ATOM 2182 HE21 GLN A 133 20.086 -30.378 16.561 1.00 0.00 H ATOM 2183 H GLN A 133 17.714 -33.717 11.731 1.00 0.00 H ATOM 2184 N ILE A 134 19.985 -31.487 10.604 1.00 22.50 N ATOM 2185 CA ILE A 134 20.764 -30.623 9.711 1.00 21.93 C ATOM 2186 C ILE A 134 20.028 -29.290 9.556 1.00 22.20 C ATOM 2187 O ILE A 134 20.632 -28.224 9.626 1.00 25.92 O ATOM 2188 CB ILE A 134 21.015 -31.303 8.304 1.00 19.12 C ATOM 2189 CG1 ILE A 134 22.051 -32.427 8.428 1.00 21.82 C ATOM 2190 CG2 ILE A 134 21.495 -30.279 7.262 1.00 20.16 C ATOM 2191 CD1 ILE A 134 22.135 -33.327 7.186 1.00 20.46 C ATOM 2192 HA ILE A 134 21.747 -30.453 10.150 1.00 0.00 H ATOM 2193 HB ILE A 134 20.065 -31.719 7.969 1.00 0.00 H ATOM 2194 HG12 ILE A 134 23.030 -31.977 8.594 1.00 0.00 H ATOM 2195 HG13 ILE A 134 21.787 -33.046 9.285 1.00 0.00 H ATOM 2196 HD11 ILE A 134 21.166 -33.795 7.012 1.00 0.00 H ATOM 2197 HD12 ILE A 134 22.410 -32.725 6.320 1.00 0.00 H ATOM 2198 HD13 ILE A 134 22.888 -34.098 7.348 1.00 0.00 H ATOM 2199 HG21 ILE A 134 20.739 -29.503 7.141 1.00 0.00 H ATOM 2200 HG22 ILE A 134 22.428 -29.829 7.600 1.00 0.00 H ATOM 2201 HG23 ILE A 134 21.657 -30.782 6.308 1.00 0.00 H ATOM 2202 H ILE A 134 19.621 -32.389 10.236 1.00 0.00 H ATOM 2203 N MET A 135 18.711 -29.351 9.387 1.00 23.22 N ATOM 2204 CA MET A 135 17.911 -28.140 9.326 1.00 24.71 C ATOM 2205 C MET A 135 17.960 -27.326 10.638 1.00 23.20 C ATOM 2206 O MET A 135 18.121 -26.102 10.606 1.00 23.33 O ATOM 2207 CB MET A 135 16.477 -28.456 8.878 1.00 24.76 C ATOM 2208 CG MET A 135 15.585 -27.228 8.620 1.00 28.25 C ATOM 2209 SD MET A 135 15.877 -26.350 7.050 1.00 31.43 S ATOM 2210 CE MET A 135 16.896 -25.026 7.687 1.00 18.39 C ATOM 2211 HA MET A 135 18.355 -27.493 8.569 1.00 0.00 H ATOM 2212 HB2 MET A 135 16.531 -29.034 7.955 1.00 0.00 H ATOM 2213 HB3 MET A 135 16.006 -29.058 9.655 1.00 0.00 H ATOM 2214 HG2 MET A 135 15.746 -26.521 9.434 1.00 0.00 H ATOM 2215 HG3 MET A 135 14.547 -27.561 8.629 1.00 0.00 H ATOM 2216 HE1 MET A 135 16.333 -24.461 8.430 1.00 0.00 H ATOM 2217 HE2 MET A 135 17.789 -25.447 8.149 1.00 0.00 H ATOM 2218 HE3 MET A 135 17.185 -24.366 6.869 1.00 0.00 H ATOM 2219 H MET A 135 18.247 -30.278 9.297 1.00 0.00 H ATOM 2220 N LYS A 136 17.840 -28.002 11.780 1.00 23.31 N ATOM 2221 CA LYS A 136 17.895 -27.333 13.093 1.00 22.61 C ATOM 2222 C LYS A 136 19.232 -26.631 13.326 1.00 21.37 C ATOM 2223 O LYS A 136 19.274 -25.541 13.865 1.00 23.13 O ATOM 2224 CB LYS A 136 17.672 -28.337 14.236 1.00 25.85 C ATOM 2225 CG LYS A 136 16.226 -28.736 14.469 1.00 28.89 C ATOM 2226 CD LYS A 136 16.153 -30.017 15.269 1.00 25.88 C ATOM 2227 CE LYS A 136 14.716 -30.344 15.696 1.00 31.15 C ATOM 2228 NZ LYS A 136 14.684 -31.594 16.536 1.00 35.19 N ATOM 2229 HA LYS A 136 17.099 -26.589 13.087 1.00 0.00 H ATOM 2230 HB2 LYS A 136 18.239 -29.240 14.009 1.00 0.00 H ATOM 2231 HB3 LYS A 136 18.052 -27.892 15.156 1.00 0.00 H ATOM 2232 HG2 LYS A 136 15.718 -27.942 15.016 1.00 0.00 H ATOM 2233 HG3 LYS A 136 15.735 -28.885 13.507 1.00 0.00 H ATOM 2234 HD2 LYS A 136 16.535 -30.836 14.659 1.00 0.00 H ATOM 2235 HD3 LYS A 136 16.771 -29.911 16.161 1.00 0.00 H ATOM 2236 HE2 LYS A 136 14.103 -30.494 14.807 1.00 0.00 H ATOM 2237 HE3 LYS A 136 14.316 -29.512 16.276 1.00 0.00 H ATOM 2238 HZ1 LYS A 136 15.062 -32.391 15.984 1.00 0.00 H ATOM 2239 HZ2 LYS A 136 15.265 -31.453 17.387 1.00 0.00 H ATOM 2240 HZ3 LYS A 136 13.703 -31.798 16.815 1.00 0.00 H ATOM 2241 H LYS A 136 17.703 -29.032 11.744 1.00 0.00 H ATOM 2242 N ASP A 137 20.324 -27.271 12.931 1.00 21.50 N ATOM 2243 CA ASP A 137 21.649 -26.702 13.134 1.00 22.77 C ATOM 2244 C ASP A 137 21.888 -25.539 12.181 1.00 22.57 C ATOM 2245 O ASP A 137 22.518 -24.557 12.544 1.00 24.34 O ATOM 2246 CB ASP A 137 22.723 -27.758 12.889 1.00 22.83 C ATOM 2247 CG ASP A 137 22.702 -28.860 13.921 1.00 27.42 C ATOM 2248 OD1 ASP A 137 21.933 -28.744 14.894 1.00 25.66 O ATOM 2249 OD2 ASP A 137 23.462 -29.844 13.763 1.00 31.80 O ATOM 2250 HA ASP A 137 21.704 -26.348 14.163 1.00 0.00 H ATOM 2251 HB2 ASP A 137 22.562 -28.198 11.905 1.00 0.00 H ATOM 2252 HB3 ASP A 137 23.700 -27.275 12.914 1.00 0.00 H ATOM 2253 H ASP A 137 20.232 -28.197 12.467 1.00 0.00 H ATOM 2254 N TYR A 138 21.420 -25.692 10.946 1.00 21.68 N ATOM 2255 CA TYR A 138 21.407 -24.623 9.963 1.00 21.78 C ATOM 2256 C TYR A 138 20.684 -23.371 10.473 1.00 20.95 C ATOM 2257 O TYR A 138 21.211 -22.267 10.382 1.00 20.67 O ATOM 2258 CB TYR A 138 20.757 -25.119 8.669 1.00 23.37 C ATOM 2259 CG TYR A 138 20.883 -24.158 7.518 1.00 25.17 C ATOM 2260 CD1 TYR A 138 19.895 -23.204 7.272 1.00 23.44 C ATOM 2261 CD2 TYR A 138 21.991 -24.189 6.683 1.00 23.56 C ATOM 2262 CE1 TYR A 138 20.012 -22.309 6.227 1.00 16.59 C ATOM 2263 CE2 TYR A 138 22.118 -23.287 5.631 1.00 20.72 C ATOM 2264 CZ TYR A 138 21.125 -22.361 5.411 1.00 18.96 C ATOM 2265 OH TYR A 138 21.239 -21.490 4.356 1.00 24.52 O ATOM 2266 HA TYR A 138 22.442 -24.339 9.772 1.00 0.00 H ATOM 2267 HB3 TYR A 138 19.698 -25.290 8.860 1.00 0.00 H ATOM 2268 HB2 TYR A 138 21.230 -26.059 8.385 1.00 0.00 H ATOM 2269 HD2 TYR A 138 22.772 -24.930 6.853 1.00 0.00 H ATOM 2270 HE2 TYR A 138 22.997 -23.314 4.987 1.00 0.00 H ATOM 2271 HE1 TYR A 138 19.233 -21.568 6.048 1.00 0.00 H ATOM 2272 HD1 TYR A 138 19.016 -23.165 7.915 1.00 0.00 H ATOM 2273 HH TYR A 138 20.449 -20.893 4.335 1.00 0.00 H ATOM 2274 H TYR A 138 21.045 -26.622 10.671 1.00 0.00 H ATOM 2275 N ASP A 139 19.490 -23.554 11.018 1.00 19.52 N ATOM 2276 CA ASP A 139 18.737 -22.455 11.641 1.00 21.62 C ATOM 2277 C ASP A 139 19.459 -21.872 12.845 1.00 19.90 C ATOM 2278 O ASP A 139 19.452 -20.655 13.052 1.00 19.95 O ATOM 2279 CB ASP A 139 17.330 -22.915 12.060 1.00 21.72 C ATOM 2280 CG ASP A 139 16.344 -22.959 10.890 1.00 25.46 C ATOM 2281 OD1 ASP A 139 16.626 -22.387 9.818 1.00 29.86 O ATOM 2282 OD2 ASP A 139 15.272 -23.580 11.051 1.00 33.12 O ATOM 2283 HA ASP A 139 18.652 -21.674 10.886 1.00 0.00 H ATOM 2284 HB2 ASP A 139 17.404 -23.914 12.490 1.00 0.00 H ATOM 2285 HB3 ASP A 139 16.948 -22.224 12.812 1.00 0.00 H ATOM 2286 H ASP A 139 19.072 -24.506 11.005 1.00 0.00 H ATOM 2287 N LYS A 140 20.086 -22.732 13.643 1.00 21.07 N ATOM 2288 CA LYS A 140 20.763 -22.270 14.856 1.00 21.95 C ATOM 2289 C LYS A 140 21.933 -21.334 14.529 1.00 22.43 C ATOM 2290 O LYS A 140 22.191 -20.349 15.247 1.00 21.35 O ATOM 2291 CB LYS A 140 21.237 -23.460 15.681 1.00 22.56 C ATOM 2292 CG LYS A 140 21.715 -23.108 17.073 1.00 29.45 C ATOM 2293 CD LYS A 140 22.457 -24.272 17.716 1.00 37.54 C ATOM 2294 CE LYS A 140 23.564 -24.792 16.795 1.00 45.48 C ATOM 2295 NZ LYS A 140 24.501 -25.738 17.471 1.00 44.71 N ATOM 2296 HA LYS A 140 20.045 -21.699 15.444 1.00 0.00 H ATOM 2297 HB2 LYS A 140 20.409 -24.163 15.773 1.00 0.00 H ATOM 2298 HB3 LYS A 140 22.060 -23.938 15.149 1.00 0.00 H ATOM 2299 HG2 LYS A 140 22.385 -22.250 17.012 1.00 0.00 H ATOM 2300 HG3 LYS A 140 20.854 -22.852 17.690 1.00 0.00 H ATOM 2301 HD2 LYS A 140 22.901 -23.938 18.654 1.00 0.00 H ATOM 2302 HD3 LYS A 140 21.751 -25.078 17.916 1.00 0.00 H ATOM 2303 HE2 LYS A 140 24.137 -23.941 16.428 1.00 0.00 H ATOM 2304 HE3 LYS A 140 23.101 -25.306 15.953 1.00 0.00 H ATOM 2305 HZ1 LYS A 140 24.959 -25.257 18.271 1.00 0.00 H ATOM 2306 HZ2 LYS A 140 23.969 -26.562 17.818 1.00 0.00 H ATOM 2307 HZ3 LYS A 140 25.224 -26.051 16.793 1.00 0.00 H ATOM 2308 H LYS A 140 20.095 -23.744 13.403 1.00 0.00 H ATOM 2309 N ALA A 141 22.649 -21.640 13.446 1.00 19.92 N ATOM 2310 CA ALA A 141 23.705 -20.744 12.968 1.00 20.58 C ATOM 2311 C ALA A 141 23.160 -19.350 12.603 1.00 21.48 C ATOM 2312 O ALA A 141 23.908 -18.368 12.588 1.00 21.84 O ATOM 2313 CB ALA A 141 24.459 -21.373 11.800 1.00 17.97 C ATOM 2314 HA ALA A 141 24.409 -20.600 13.788 1.00 0.00 H ATOM 2315 HB1 ALA A 141 24.911 -22.310 12.124 1.00 0.00 H ATOM 2316 HB2 ALA A 141 23.764 -21.567 10.983 1.00 0.00 H ATOM 2317 HB3 ALA A 141 25.238 -20.690 11.462 1.00 0.00 H ATOM 2318 H ALA A 141 22.455 -22.525 12.935 1.00 0.00 H ATOM 2319 N LEU A 142 21.851 -19.268 12.343 1.00 23.59 N ATOM 2320 CA LEU A 142 21.188 -18.005 11.985 1.00 23.79 C ATOM 2321 C LEU A 142 20.508 -17.334 13.167 1.00 24.42 C ATOM 2322 O LEU A 142 19.814 -16.338 13.000 1.00 24.87 O ATOM 2323 CB LEU A 142 20.130 -18.233 10.911 1.00 24.07 C ATOM 2324 CG LEU A 142 20.583 -18.644 9.519 1.00 29.11 C ATOM 2325 CD1 LEU A 142 19.349 -18.970 8.675 1.00 24.51 C ATOM 2326 CD2 LEU A 142 21.402 -17.524 8.894 1.00 24.84 C ATOM 2327 HA LEU A 142 21.982 -17.353 11.621 1.00 0.00 H ATOM 2328 HB2 LEU A 142 19.464 -19.015 11.276 1.00 0.00 H ATOM 2329 HB3 LEU A 142 19.572 -17.302 10.806 1.00 0.00 H ATOM 2330 HG LEU A 142 21.216 -19.530 9.571 1.00 0.00 H ATOM 2331 HD21 LEU A 142 20.791 -16.624 8.825 1.00 0.00 H ATOM 2332 HD22 LEU A 142 22.276 -17.325 9.515 1.00 0.00 H ATOM 2333 HD23 LEU A 142 21.724 -17.824 7.897 1.00 0.00 H ATOM 2334 HD11 LEU A 142 18.797 -19.787 9.141 1.00 0.00 H ATOM 2335 HD12 LEU A 142 18.711 -18.089 8.611 1.00 0.00 H ATOM 2336 HD13 LEU A 142 19.663 -19.266 7.674 1.00 0.00 H ATOM 2337 H LEU A 142 21.277 -20.134 12.396 1.00 0.00 H ATOM 2338 N ASN A 143 20.694 -17.893 14.354 1.00 27.25 N ATOM 2339 CA ASN A 143 20.076 -17.371 15.565 1.00 30.76 C ATOM 2340 C ASN A 143 18.633 -17.823 15.758 1.00 31.24 C ATOM 2341 O ASN A 143 17.850 -17.147 16.421 1.00 31.54 O ATOM 2342 CB ASN A 143 20.161 -15.845 15.633 1.00 28.63 C ATOM 2343 CG ASN A 143 20.345 -15.344 17.051 1.00 31.89 C ATOM 2344 OD1 ASN A 143 20.874 -16.059 17.903 1.00 23.12 O ATOM 2345 ND2 ASN A 143 19.896 -14.118 17.317 1.00 29.86 N ATOM 2346 HA ASN A 143 20.655 -17.796 16.385 1.00 0.00 H ATOM 2347 HB2 ASN A 143 21.007 -15.513 15.031 1.00 0.00 H ATOM 2348 HB3 ASN A 143 19.241 -15.424 15.228 1.00 0.00 H ATOM 2349 HD22 ASN A 143 19.456 -13.551 16.565 1.00 0.00 H ATOM 2350 HD21 ASN A 143 19.986 -13.728 18.277 1.00 0.00 H ATOM 2351 H ASN A 143 21.302 -18.734 14.423 1.00 0.00 H ATOM 2352 N CYS A 144 18.297 -18.975 15.191 1.00 31.99 N ATOM 2353 CA CYS A 144 16.931 -19.480 15.237 1.00 31.49 C ATOM 2354 C CYS A 144 16.901 -20.906 15.770 1.00 33.90 C ATOM 2355 O CYS A 144 15.908 -21.620 15.622 1.00 36.51 O ATOM 2356 CB CYS A 144 16.309 -19.423 13.839 1.00 29.93 C ATOM 2357 SG CYS A 144 16.148 -17.752 13.179 1.00 28.73 S ATOM 2358 HA CYS A 144 16.350 -18.852 15.912 1.00 0.00 H ATOM 2359 OXT CYS A 144 17.869 -21.386 16.357 1.00 34.67 O ATOM 2360 HB2 CYS A 144 15.316 -19.871 13.886 1.00 0.00 H ATOM 2361 HB3 CYS A 144 16.936 -20.002 13.160 1.00 0.00 H ATOM 2362 H CYS A 144 19.027 -19.531 14.702 1.00 0.00 H TER 2363 CYS A 144 HETATM 2364 O HOH 1 4.233 -38.455 -7.868 1.00 38.35 O HETATM 2365 O HOH 2 6.993 -9.328 -8.978 1.00 42.26 O HETATM 2366 O HOH 3 13.854 -10.336 0.213 1.00 58.65 O HETATM 2367 O HOH 4 14.970 -40.987 9.364 1.00 27.49 O HETATM 2368 O HOH 5 8.082 -37.455 6.894 1.00 32.17 O HETATM 2369 O HOH 6 19.272 -20.282 3.348 1.00 17.06 O HETATM 2370 O HOH 7 19.501 -40.651 12.153 1.00 54.90 O HETATM 2371 O HOH 8 5.988 -30.249 8.266 1.00 17.54 O HETATM 2372 O HOH 9 -8.882 -31.278 -8.009 1.00 38.67 O HETATM 2373 O HOH 10 8.968 -32.672 10.637 1.00 27.00 O HETATM 2374 O HOH 11 5.585 -32.134 -10.539 1.00 21.13 O HETATM 2375 O HOH 12 16.700 -33.281 15.358 1.00 27.27 O HETATM 2376 O HOH 13 -6.510 -35.214 -6.458 1.00 29.01 O HETATM 2377 O HOH 14 -6.366 -38.275 0.841 1.00 40.93 O HETATM 2378 O HOH 15 19.807 -38.487 5.804 1.00 15.81 O HETATM 2379 O HOH 16 -1.915 -35.191 -5.272 1.00 20.56 O HETATM 2380 O HOH 17 13.051 -20.087 13.332 1.00 31.02 O HETATM 2381 O HOH 18 18.955 -21.971 -0.607 1.00 17.62 O HETATM 2382 O HOH 19 11.844 -26.120 -7.376 1.00 20.34 O HETATM 2383 O HOH 20 -9.377 -21.364 -5.465 1.00 38.64 O HETATM 2384 O HOH 21 -1.469 -38.465 -5.492 1.00 22.06 O HETATM 2385 O HOH 22 25.371 -30.116 5.507 1.00 30.10 O HETATM 2386 O HOH 23 5.638 -0.921 2.109 1.00 49.94 O HETATM 2387 O HOH 24 4.400 -35.360 5.172 1.00 17.60 O HETATM 2388 O HOH 25 22.777 -36.696 4.199 1.00 29.65 O HETATM 2389 O HOH 26 15.175 -14.582 -5.989 1.00 35.04 O HETATM 2390 O HOH 27 -10.444 -20.592 2.015 1.00 49.49 O HETATM 2391 O HOH 28 -2.759 -33.513 1.673 1.00 40.08 O HETATM 2392 O HOH 29 22.881 -29.870 -3.239 1.00 34.82 O HETATM 2393 O HOH 30 3.958 -41.798 0.797 1.00 31.83 O HETATM 2394 O HOH 31 18.693 -20.254 -5.267 1.00 43.94 O HETATM 2395 O HOH 32 16.292 -35.528 14.077 1.00 17.86 O HETATM 2396 O HOH 33 -9.201 -11.125 -10.154 1.00 44.62 O HETATM 2397 O HOH 34 -2.694 -36.914 -7.321 1.00 22.52 O HETATM 2398 O HOH 35 13.677 -23.377 8.982 1.00 23.34 O HETATM 2399 O HOH 36 17.497 -24.492 15.473 1.00 26.19 O HETATM 2400 O HOH 37 0.837 -9.936 10.103 1.00 35.86 O HETATM 2401 O HOH 38 12.401 -13.746 15.319 1.00 29.56 O HETATM 2402 O HOH 39 13.490 -36.286 14.088 1.00 26.41 O HETATM 2403 O HOH 40 17.870 -11.611 14.087 1.00 43.02 O HETATM 2404 O HOH 41 0.581 -9.153 2.670 1.00 41.47 O HETATM 2405 O HOH 42 19.108 -20.352 18.920 1.00 38.95 O HETATM 2406 O HOH 43 15.537 -28.089 19.109 1.00 52.25 O HETATM 2407 O HOH 44 24.712 -24.993 14.118 1.00 28.94 O HETATM 2408 O HOH 45 24.268 -33.689 -4.989 1.00 37.32 O HETATM 2409 O HOH 46 1.356 -24.266 -13.074 1.00 35.95 O HETATM 2410 O HOH 47 -3.693 -25.905 9.128 1.00 58.68 O HETATM 2411 O HOH 48 -6.769 -28.234 2.639 1.00 26.18 O HETATM 2412 O HOH 49 -2.987 -40.776 -5.057 1.00 36.79 O HETATM 2413 O HOH 50 19.429 -18.147 5.024 1.00 26.39 O HETATM 2414 O HOH 51 12.890 -29.685 8.899 1.00 19.35 O HETATM 2415 O HOH 52 -1.368 -19.577 5.785 1.00 42.29 O HETATM 2416 O HOH 53 10.681 -28.547 -7.044 1.00 29.31 O HETATM 2417 O HOH 54 1.336 -17.704 11.619 1.00 27.95 O HETATM 2418 O HOH 55 12.640 -40.638 4.536 1.00 34.39 O HETATM 2419 O HOH 56 -5.482 -22.657 2.088 1.00 28.87 O HETATM 2420 O HOH 57 13.276 -39.452 -2.763 1.00 43.37 O HETATM 2421 O HOH 58 14.162 -29.332 11.024 1.00 25.90 O HETATM 2422 O HOH 59 17.560 -37.301 15.362 1.00 31.41 O HETATM 2423 O HOH 60 18.395 -32.606 18.604 1.00 56.58 O HETATM 2424 O HOH 61 9.058 -29.083 8.450 1.00 37.61 O HETATM 2425 O HOH 62 4.236 -14.835 14.140 1.00 44.74 O HETATM 2426 O HOH 63 24.725 -34.411 4.095 1.00 33.13 O HETATM 2427 O HOH 64 19.128 -29.902 18.502 1.00 31.12 O HETATM 2428 O HOH 65 13.886 -35.205 -1.855 1.00 31.49 O HETATM 2429 O HOH 66 -1.179 -12.707 11.284 1.00 49.91 O HETATM 2430 O HOH 67 18.698 -17.718 20.008 1.00 41.45 O HETATM 2431 O HOH 68 11.675 -30.504 -4.720 1.00 30.75 O HETATM 2432 O HOH 69 24.967 -25.483 9.565 1.00 54.94 O HETATM 2433 O HOH 70 1.968 -39.917 7.609 1.00 21.35 O HETATM 2434 O HOH 71 -8.965 -27.375 -5.972 1.00 26.61 O HETATM 2435 O HOH 72 20.224 -20.090 0.890 1.00 23.82 O HETATM 2436 O HOH 73 -5.491 -10.194 -11.074 1.00 47.66 O HETATM 2437 O HOH 74 -2.082 -8.025 4.004 1.00 52.49 O HETATM 2438 O HOH 75 -8.872 -33.320 4.241 1.00 38.52 O HETATM 2439 O HOH 76 17.851 -20.562 -2.532 1.00 27.82 O HETATM 2440 O HOH 77 18.372 -40.302 9.432 1.00 20.98 O HETATM 2441 O HOH 78 8.450 -22.259 -12.769 1.00 39.75 O HETATM 2442 O HOH 79 19.067 -27.549 -6.341 1.00 32.29 O HETATM 2443 O HOH 80 14.222 -27.111 -9.161 1.00 41.22 O HETATM 2444 O HOH 81 -3.192 -9.206 -12.644 1.00 50.05 O HETATM 2445 O HOH 82 -8.255 -24.704 4.613 1.00 47.23 O HETATM 2446 O HOH 83 23.089 -20.113 0.838 1.00 20.02 O HETATM 2447 O HOH 84 9.798 -22.170 -15.048 1.00 56.28 O HETATM 2448 O HOH 85 17.271 -20.426 -8.637 1.00 44.98 O HETATM 2449 O HOH 86 2.855 -13.873 12.577 1.00 40.60 O HETATM 2450 O HOH 87 16.961 -33.110 -8.601 1.00 53.50 O HETATM 2451 O HOH 88 26.727 -18.151 3.010 1.00 44.90 O HETATM 2452 O HOH 89 12.192 -25.742 9.326 1.00 28.80 O HETATM 2453 O HOH 90 14.056 -26.502 11.695 1.00 44.27 O HETATM 2454 O HOH 91 -3.498 -16.979 1.037 1.00 62.15 O HETATM 2455 O HOH 92 10.055 -36.904 -10.139 1.00 32.53 O HETATM 2456 O HOH 93 9.938 -24.889 10.594 1.00 48.30 O HETATM 2457 O HOH 94 6.928 -17.192 6.832 1.00 20.76 O HETATM 2458 O HOH 95 -0.927 -29.338 7.105 1.00 25.28 O HETATM 2459 O HOH 96 -5.956 -30.922 -11.302 1.00 14.46 O HETATM 2460 O HOH 97 23.290 -27.898 9.248 1.00 20.53 O HETATM 2461 O HOH 98 0.600 -32.558 3.727 1.00 18.09 O HETATM 2462 O HOH 99 15.232 -13.217 14.762 1.00 40.41 O HETATM 2463 O HOH 100 24.919 -29.866 10.408 1.00 30.35 O HETATM 2464 O HOH 101 26.172 -14.446 2.113 1.00 37.14 O HETATM 2465 O HOH 102 11.810 -37.375 1.632 1.00 29.86 O HETATM 2466 O HOH 103 7.951 -4.072 6.837 1.00 54.16 O HETATM 2467 O HOH 104 2.394 -29.074 9.679 1.00 30.94 O HETATM 2468 O HOH 105 -8.362 -18.135 -10.473 1.00 39.32 O HETATM 2469 O HOH 106 12.582 -30.344 -2.257 1.00 18.94 O HETATM 2470 O HOH 107 8.403 -14.395 18.412 1.00 44.77 O HETATM 2471 O HOH 108 -6.621 -19.887 1.534 1.00 48.08 O HETATM 2472 O HOH 109 20.676 -21.772 -6.359 1.00 50.16 O HETATM 2473 O HOH 110 23.673 -31.724 12.122 1.00 35.31 O HETATM 2474 O HOH 111 3.039 -32.610 -12.825 1.00 35.81 O HETATM 2475 O HOH 112 0.452 -41.373 2.078 1.00 34.71 O HETATM 2476 O HOH 113 -0.207 -4.220 -5.302 1.00 56.78 O HETATM 2477 O HOH 114 4.808 -12.248 -6.173 1.00 33.04 O HETATM 2478 O HOH 115 11.099 -12.594 -11.133 1.00 41.13 O HETATM 2479 O HOH 116 5.190 -21.919 15.239 1.00 28.49 O HETATM 2480 O HOH 117 4.977 -5.652 -2.304 1.00 52.16 O HETATM 2481 O HOH 118 -0.761 -7.285 1.333 1.00 44.32 O HETATM 2482 O HOH 119 -5.181 -39.979 -1.545 1.00 25.71 O HETATM 2483 O HOH 120 14.853 -25.256 13.336 1.00 41.21 O HETATM 2484 O HOH 121 6.705 -5.516 9.639 1.00 59.40 O HETATM 2485 N1 TSS A 122 13.661 -23.705 6.355 1.00 0.22 N HETATM 2486 CA TSS A 122 12.492 -22.857 6.196 1.00 -0.03 C HETATM 2487 CB TSS A 122 12.921 -21.388 6.127 1.00 0.00 C HETATM 2488 CG TSS A 122 11.717 -20.553 5.727 1.00 -0.04 C HETATM 2489 CD1 TSS A 122 10.355 -20.811 5.971 1.00 0.02 C HETATM 2490 NE1 TSS A 122 9.563 -19.831 5.433 1.00 -0.29 N HETATM 2491 CE2 TSS A 122 10.405 -18.953 4.857 1.00 0.06 C HETATM 2492 CD2 TSS A 122 11.680 -19.370 5.025 1.00 -0.02 C HETATM 2493 CE3 TSS A 122 12.726 -18.617 4.525 1.00 -0.07 C HETATM 2494 CZ3 TSS A 122 12.380 -17.476 3.813 1.00 -0.08 C HETATM 2495 CH2 TSS A 122 11.059 -17.013 3.766 1.00 -0.08 C HETATM 2496 CZ2 TSS A 122 10.008 -17.803 4.213 1.00 -0.04 C HETATM 2497 H10 TSS A 122 8.967 -17.538 4.068 1.00 0.05 H HETATM 2498 H11 TSS A 122 10.854 -16.023 3.375 1.00 0.05 H HETATM 2499 H12 TSS A 122 13.151 -16.931 3.281 1.00 0.05 H HETATM 2500 H13 TSS A 122 13.760 -18.902 4.680 1.00 0.05 H HETATM 2501 H9 TSS A 122 8.535 -19.777 5.463 1.00 0.22 H HETATM 2502 H8 TSS A 122 9.980 -21.676 6.516 1.00 0.08 H HETATM 2503 H6 TSS A 122 13.720 -21.269 5.380 1.00 0.04 H HETATM 2504 H7 TSS A 122 13.288 -21.062 7.111 1.00 0.04 H HETATM 2505 H4 TSS A 122 11.818 -23.000 7.053 1.00 0.08 H HETATM 2506 H5 TSS A 122 11.968 -23.128 5.268 1.00 0.08 H HETATM 2507 H1 TSS A 122 13.373 -24.670 6.400 1.00 0.20 H HETATM 2508 H2 TSS A 122 14.142 -23.458 7.206 1.00 0.20 H HETATM 2509 H3 TSS A 122 14.280 -23.575 5.570 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 82 81 615 CONECT 296 295 2357 CONECT 615 82 614 CONECT 1259 1258 1553 CONECT 1553 1259 1552 CONECT 2357 296 2356 CONECT 2485 2486 2507 2508 2509 CONECT 2486 2485 2487 2505 2506 CONECT 2487 2486 2488 2503 2504 CONECT 2488 2487 2489 2492 CONECT 2489 2488 2490 2502 CONECT 2490 2489 2491 2501 CONECT 2491 2490 2492 2496 CONECT 2492 2488 2491 2493 CONECT 2493 2492 2494 2500 CONECT 2494 2493 2495 2499 CONECT 2495 2494 2496 2498 CONECT 2496 2491 2495 2497 CONECT 2497 2496 CONECT 2498 2495 CONECT 2499 2494 CONECT 2500 2493 CONECT 2501 2490 CONECT 2502 2489 CONECT 2503 2487 CONECT 2504 2487 CONECT 2505 2486 CONECT 2506 2486 CONECT 2507 2485 CONECT 2508 2485 CONECT 2509 2485 MASTER 0 0 0 0 0 0 0 0 2508 1 35 12 END
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Structure:
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Related entries of code: 2pql
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3atm
RCSB PDB
PDBbind
TSS
3rxi
RCSB PDB
PDBbind
TSS
4ge1
RCSB PDB
PDBbind
TSS
Entry Information
PDB ID
2pql
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
D7r4 protein
Ligand Name
TSS
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=53nM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. 282: 36626-36633
Ligand Properties
Formula
C
1
0
H
1
3
N
2
Molecular Weight
161.224
Exact Mass
161.108
No. of atoms
25
No. of bonds
26
Polar Surface Area
43.43
LOGP Value
1.37 (
Computed with XLOGP3
)
0.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
[NH3+]CCc1c[nH]c2c1cccc2
InChI String
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
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):
Q9BIH3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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