Browse entries in the PDBbind-CN Database
HEADER 2WOR_COMPLEX COMPND 2WOR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 96 SER ASN THR GLN ALA GLU ARG SER ILE ILE GLY MET ILE SEQRES 2 A 96 ASP MET PHE HIS LYS TYR THR ARG ARG ASP ASP LYS ILE SEQRES 3 A 96 ASP LYS PRO SER LEU LEU THR MET MET LYS GLU ASN PHE SEQRES 4 A 96 PRO ASN PHE LEU SER ALA CYS ASP LYS LYS GLY THR ASN SEQRES 5 A 96 TYR LEU ALA ASP VAL PHE GLU LYS LYS ASP LYS ASN GLU SEQRES 6 A 96 ASP LYS LYS ILE ASP PHE SER GLU PHE LEU SER LEU LEU SEQRES 7 A 96 GLY ASP ILE ALA THR ASP TYR HIS LYS GLN SER HIS GLY SEQRES 8 A 96 ALA ALA PRO CYS SER SEQRES 1 B 96 SER ASN THR GLN ALA GLU ARG SER ILE ILE GLY MET ILE SEQRES 2 B 96 ASP MET PHE HIS LYS TYR THR ARG ARG ASP ASP LYS ILE SEQRES 3 B 96 ASP LYS PRO SER LEU LEU THR MET MET LYS GLU ASN PHE SEQRES 4 B 96 PRO ASN PHE LEU SER ALA CYS ASP LYS LYS GLY THR ASN SEQRES 5 B 96 TYR LEU ALA ASP VAL PHE GLU LYS LYS ASP LYS ASN GLU SEQRES 6 B 96 ASP LYS LYS ILE ASP PHE SER GLU PHE LEU SER LEU LEU SEQRES 7 B 96 GLY ASP ILE ALA THR ASP TYR HIS LYS GLN SER HIS GLY SEQRES 8 B 96 ALA ALA PRO CYS SER HET CA A 1 1 HET ZN A 2 1 HET CA A 3 1 HET ZN A 4 1 HET UNN A 388 33 SSBOND 1 CYS A 46 CYS A 95 SSBOND 2 CYS B 46 CYS B 95 ATOM 1 N SER A 1 -8.019 7.783 -4.559 1.00 31.51 N ATOM 2 CA SER A 1 -7.713 8.618 -5.759 1.00 26.96 C ATOM 3 C SER A 1 -6.194 9.027 -5.852 1.00 21.68 C ATOM 4 O SER A 1 -5.621 9.041 -6.949 1.00 20.50 O ATOM 5 CB SER A 1 -8.700 9.779 -5.895 1.00 32.21 C ATOM 6 OG SER A 1 -8.359 10.652 -6.981 1.00 36.58 O ATOM 7 HA SER A 1 -7.867 7.999 -6.643 1.00 0.00 H ATOM 8 HB2 SER A 1 -8.698 10.353 -4.968 1.00 0.00 H ATOM 9 HB3 SER A 1 -9.697 9.375 -6.068 1.00 0.00 H ATOM 10 HG SER A 1 -9.021 11.386 -7.033 1.00 0.00 H ATOM 11 HN3 SER A 1 -7.781 8.315 -3.698 1.00 0.00 H ATOM 12 HN2 SER A 1 -7.457 6.909 -4.594 1.00 0.00 H ATOM 13 HN1 SER A 1 -9.032 7.546 -4.552 1.00 0.00 H ATOM 14 N ASN A 2 -5.530 9.209 -4.723 1.00 18.68 N ATOM 15 CA ASN A 2 -4.058 9.434 -4.800 1.00 15.15 C ATOM 16 C ASN A 2 -3.315 8.256 -5.410 1.00 15.60 C ATOM 17 O ASN A 2 -3.641 7.034 -5.199 1.00 17.97 O ATOM 18 CB ASN A 2 -3.522 9.762 -3.426 1.00 13.50 C ATOM 19 CG ASN A 2 -3.891 11.151 -2.967 1.00 16.47 C ATOM 20 OD1 ASN A 2 -4.051 12.105 -3.762 1.00 21.33 O ATOM 21 ND2 ASN A 2 -3.967 11.302 -1.621 1.00 21.07 N ATOM 22 HA ASN A 2 -3.887 10.279 -5.467 1.00 0.00 H ATOM 23 HB2 ASN A 2 -3.925 9.042 -2.714 1.00 0.00 H ATOM 24 HB3 ASN A 2 -2.435 9.680 -3.448 1.00 0.00 H ATOM 25 HD22 ASN A 2 -3.827 10.482 -0.997 1.00 0.00 H ATOM 26 HD21 ASN A 2 -4.165 12.238 -1.213 1.00 0.00 H ATOM 27 H ASN A 2 -6.021 9.196 -3.806 1.00 0.00 H ATOM 28 N THR A 3 -2.248 8.572 -6.167 1.00 11.92 N ATOM 29 CA THR A 3 -1.404 7.514 -6.661 1.00 11.44 C ATOM 30 C THR A 3 -0.492 6.934 -5.576 1.00 11.60 C ATOM 31 O THR A 3 -0.437 7.501 -4.462 1.00 10.82 O ATOM 32 CB THR A 3 -0.399 8.080 -7.720 1.00 10.71 C ATOM 33 OG1 THR A 3 0.410 9.090 -7.098 1.00 10.42 O ATOM 34 CG2 THR A 3 -1.202 8.748 -8.881 1.00 13.52 C ATOM 35 HA THR A 3 -2.088 6.762 -7.054 1.00 0.00 H ATOM 36 HB THR A 3 0.223 7.272 -8.104 1.00 0.00 H ATOM 37 HG1 THR A 3 1.049 9.454 -7.761 1.00 0.00 H ATOM 38 HG23 THR A 3 -1.825 7.998 -9.369 1.00 0.00 H ATOM 39 HG21 THR A 3 -1.833 9.539 -8.476 1.00 0.00 H ATOM 40 HG22 THR A 3 -0.506 9.172 -9.605 1.00 0.00 H ATOM 41 H THR A 3 -2.036 9.565 -6.392 1.00 0.00 H ATOM 42 N GLN A 4 0.262 5.877 -5.910 1.00 10.10 N ATOM 43 CA GLN A 4 1.197 5.314 -4.889 1.00 11.52 C ATOM 44 C GLN A 4 2.224 6.369 -4.516 1.00 9.14 C ATOM 45 O GLN A 4 2.594 6.470 -3.353 1.00 9.03 O ATOM 46 CB GLN A 4 1.955 4.046 -5.297 1.00 12.96 C ATOM 47 CG GLN A 4 0.994 2.953 -5.532 1.00 14.80 C ATOM 48 CD GLN A 4 1.667 1.731 -6.109 1.00 20.92 C ATOM 49 OE1 GLN A 4 2.024 1.706 -7.346 1.00 20.66 O ATOM 50 NE2 GLN A 4 1.805 0.688 -5.247 1.00 21.11 N ATOM 51 HA GLN A 4 0.553 5.026 -4.058 1.00 0.00 H ATOM 52 HB2 GLN A 4 2.519 4.237 -6.210 1.00 0.00 H ATOM 53 HB3 GLN A 4 2.642 3.761 -4.500 1.00 0.00 H ATOM 54 HG2 GLN A 4 0.526 2.685 -4.585 1.00 0.00 H ATOM 55 HG3 GLN A 4 0.230 3.298 -6.229 1.00 0.00 H ATOM 56 HE22 GLN A 4 1.492 0.784 -4.260 1.00 0.00 H ATOM 57 HE21 GLN A 4 2.223 -0.206 -5.575 1.00 0.00 H ATOM 58 H GLN A 4 0.198 5.458 -6.860 1.00 0.00 H ATOM 59 N ALA A 5 2.683 7.142 -5.507 1.00 8.96 N ATOM 60 CA ALA A 5 3.702 8.191 -5.164 1.00 9.16 C ATOM 61 C ALA A 5 3.145 9.295 -4.298 1.00 8.38 C ATOM 62 O ALA A 5 3.773 9.653 -3.303 1.00 8.36 O ATOM 63 CB ALA A 5 4.282 8.799 -6.459 1.00 9.78 C ATOM 64 HA ALA A 5 4.484 7.694 -4.589 1.00 0.00 H ATOM 65 HB1 ALA A 5 4.756 8.013 -7.047 1.00 0.00 H ATOM 66 HB2 ALA A 5 3.478 9.253 -7.038 1.00 0.00 H ATOM 67 HB3 ALA A 5 5.020 9.559 -6.203 1.00 0.00 H ATOM 68 H ALA A 5 2.345 7.020 -6.483 1.00 0.00 H ATOM 69 N GLU A 6 1.906 9.736 -4.570 1.00 7.51 N ATOM 70 CA GLU A 6 1.331 10.809 -3.733 1.00 7.86 C ATOM 71 C GLU A 6 1.066 10.227 -2.330 1.00 8.39 C ATOM 72 O GLU A 6 1.355 10.914 -1.346 1.00 10.39 O ATOM 73 CB GLU A 6 -0.025 11.218 -4.343 1.00 8.22 C ATOM 74 CG GLU A 6 0.343 12.073 -5.635 1.00 9.09 C ATOM 75 CD GLU A 6 -0.961 12.240 -6.531 1.00 10.36 C ATOM 76 OE1 GLU A 6 -1.949 11.418 -6.442 1.00 14.17 O ATOM 77 OE2 GLU A 6 -0.949 13.255 -7.305 1.00 9.98 O ATOM 78 HA GLU A 6 2.006 11.664 -3.680 1.00 0.00 H ATOM 79 HB2 GLU A 6 -0.603 10.336 -4.619 1.00 0.00 H ATOM 80 HB3 GLU A 6 -0.597 11.819 -3.636 1.00 0.00 H ATOM 81 HG2 GLU A 6 0.708 13.055 -5.333 1.00 0.00 H ATOM 82 HG3 GLU A 6 1.116 11.559 -6.206 1.00 0.00 H ATOM 83 H GLU A 6 1.361 9.329 -5.356 1.00 0.00 H ATOM 84 N ARG A 7 0.540 8.972 -2.277 1.00 8.52 N ATOM 85 CA ARG A 7 0.289 8.347 -0.940 1.00 9.54 C ATOM 86 C ARG A 7 1.561 8.187 -0.139 1.00 11.40 C ATOM 87 O ARG A 7 1.541 8.385 1.103 1.00 12.88 O ATOM 88 CB ARG A 7 -0.388 6.980 -1.141 1.00 10.74 C ATOM 89 CG ARG A 7 -1.881 7.112 -1.559 1.00 15.74 C ATOM 90 CD ARG A 7 -2.389 5.623 -1.402 1.00 28.83 C ATOM 91 NE ARG A 7 -2.090 4.869 -2.606 1.00 40.51 N ATOM 92 CZ ARG A 7 -3.013 4.605 -3.523 1.00 46.96 C ATOM 93 NH1 ARG A 7 -4.275 5.005 -3.285 1.00 50.55 N ATOM 94 NH2 ARG A 7 -2.704 3.932 -4.636 1.00 47.81 N ATOM 95 HA ARG A 7 -0.365 9.010 -0.373 1.00 0.00 H ATOM 96 HB2 ARG A 7 0.147 6.436 -1.919 1.00 0.00 H ATOM 97 HB3 ARG A 7 -0.334 6.422 -0.206 1.00 0.00 H ATOM 98 HG2 ARG A 7 -2.421 7.789 -0.897 1.00 0.00 H ATOM 99 HG3 ARG A 7 -1.977 7.459 -2.588 1.00 0.00 H ATOM 100 HD2 ARG A 7 -3.466 5.624 -1.234 1.00 0.00 H ATOM 101 HD3 ARG A 7 -1.890 5.159 -0.551 1.00 0.00 H ATOM 102 HE ARG A 7 -1.120 4.524 -2.755 1.00 0.00 H ATOM 103 HH12 ARG A 7 -5.022 4.814 -3.983 1.00 0.00 H ATOM 104 HH11 ARG A 7 -4.504 5.506 -2.403 1.00 0.00 H ATOM 105 HH22 ARG A 7 -3.439 3.733 -5.345 1.00 0.00 H ATOM 106 HH21 ARG A 7 -1.729 3.607 -4.793 1.00 0.00 H ATOM 107 H ARG A 7 0.316 8.456 -3.152 1.00 0.00 H ATOM 108 N SER A 8 2.701 7.921 -0.809 1.00 9.63 N ATOM 109 CA SER A 8 3.983 7.776 -0.090 1.00 10.17 C ATOM 110 C SER A 8 4.405 9.081 0.492 1.00 10.51 C ATOM 111 O SER A 8 4.840 9.112 1.637 1.00 13.09 O ATOM 112 CB SER A 8 5.070 7.304 -1.081 1.00 11.99 C ATOM 113 OG SER A 8 4.767 5.988 -1.457 1.00 15.29 O ATOM 114 HA SER A 8 3.854 7.049 0.712 1.00 0.00 H ATOM 115 HB2 SER A 8 6.048 7.337 -0.602 1.00 0.00 H ATOM 116 HB3 SER A 8 5.076 7.949 -1.960 1.00 0.00 H ATOM 117 HG SER A 8 3.876 5.966 -1.888 1.00 0.00 H ATOM 118 H SER A 8 2.677 7.817 -1.843 1.00 0.00 H ATOM 119 N ILE A 9 4.292 10.167 -0.279 1.00 8.81 N ATOM 120 CA ILE A 9 4.679 11.498 0.295 1.00 10.39 C ATOM 121 C ILE A 9 3.788 11.899 1.453 1.00 9.19 C ATOM 122 O ILE A 9 4.301 12.324 2.543 1.00 9.98 O ATOM 123 CB ILE A 9 4.662 12.536 -0.826 1.00 12.35 C ATOM 124 CG1 ILE A 9 5.672 12.144 -1.889 1.00 14.98 C ATOM 125 CG2 ILE A 9 4.790 14.014 -0.210 1.00 14.89 C ATOM 126 CD1 ILE A 9 6.594 13.184 -2.495 1.00 23.97 C ATOM 127 HA ILE A 9 5.685 11.431 0.708 1.00 0.00 H ATOM 128 HB ILE A 9 3.708 12.558 -1.352 1.00 0.00 H ATOM 129 HG12 ILE A 9 6.311 11.380 -1.446 1.00 0.00 H ATOM 130 HG13 ILE A 9 5.106 11.710 -2.713 1.00 0.00 H ATOM 131 HD11 ILE A 9 5.998 13.959 -2.977 1.00 0.00 H ATOM 132 HD12 ILE A 9 7.204 13.629 -1.709 1.00 0.00 H ATOM 133 HD13 ILE A 9 7.240 12.709 -3.233 1.00 0.00 H ATOM 134 HG21 ILE A 9 3.953 14.199 0.463 1.00 0.00 H ATOM 135 HG22 ILE A 9 5.727 14.097 0.341 1.00 0.00 H ATOM 136 HG23 ILE A 9 4.777 14.745 -1.018 1.00 0.00 H ATOM 137 H ILE A 9 3.943 10.091 -1.256 1.00 0.00 H ATOM 138 N ILE A 10 2.457 11.757 1.255 1.00 7.77 N ATOM 139 CA ILE A 10 1.516 12.122 2.373 1.00 9.05 C ATOM 140 C ILE A 10 1.802 11.219 3.585 1.00 9.78 C ATOM 141 O ILE A 10 1.801 11.709 4.737 1.00 12.27 O ATOM 142 CB ILE A 10 0.112 11.938 1.903 1.00 10.48 C ATOM 143 CG1 ILE A 10 -0.171 13.046 0.885 1.00 12.45 C ATOM 144 CG2 ILE A 10 -0.873 12.077 3.080 1.00 12.30 C ATOM 145 CD1 ILE A 10 -1.441 12.849 0.019 1.00 14.64 C ATOM 146 HA ILE A 10 1.658 13.162 2.667 1.00 0.00 H ATOM 147 HB ILE A 10 -0.012 10.947 1.466 1.00 0.00 H ATOM 148 HG12 ILE A 10 -0.278 13.984 1.430 1.00 0.00 H ATOM 149 HG13 ILE A 10 0.686 13.113 0.214 1.00 0.00 H ATOM 150 HD11 ILE A 10 -1.351 11.924 -0.550 1.00 0.00 H ATOM 151 HD12 ILE A 10 -2.316 12.795 0.667 1.00 0.00 H ATOM 152 HD13 ILE A 10 -1.546 13.690 -0.666 1.00 0.00 H ATOM 153 HG21 ILE A 10 -0.648 11.320 3.832 1.00 0.00 H ATOM 154 HG22 ILE A 10 -0.773 13.069 3.520 1.00 0.00 H ATOM 155 HG23 ILE A 10 -1.892 11.940 2.718 1.00 0.00 H ATOM 156 H ILE A 10 2.091 11.403 0.348 1.00 0.00 H ATOM 157 N GLY A 11 2.086 9.923 3.336 1.00 10.50 N ATOM 158 CA GLY A 11 2.363 8.997 4.440 1.00 11.15 C ATOM 159 C GLY A 11 3.608 9.440 5.207 1.00 11.37 C ATOM 160 O GLY A 11 3.626 9.286 6.495 1.00 12.59 O ATOM 161 HA3 GLY A 11 2.525 7.997 4.038 1.00 0.00 H ATOM 162 HA2 GLY A 11 1.510 8.981 5.118 1.00 0.00 H ATOM 163 H GLY A 11 2.109 9.579 2.355 1.00 0.00 H ATOM 164 N MET A 12 4.661 9.865 4.522 1.00 12.60 N ATOM 165 CA MET A 12 5.935 10.258 5.198 1.00 13.80 C ATOM 166 C MET A 12 5.718 11.530 6.049 1.00 12.54 C ATOM 167 O MET A 12 6.289 11.632 7.146 1.00 12.07 O ATOM 168 CB MET A 12 7.087 10.476 4.169 1.00 15.54 C ATOM 169 CG MET A 12 7.609 9.177 3.661 1.00 19.20 C ATOM 170 SD MET A 12 8.153 7.865 4.814 1.00 24.82 S ATOM 171 CE MET A 12 9.637 7.346 3.911 1.00 21.75 C ATOM 172 HA MET A 12 6.232 9.440 5.854 1.00 0.00 H ATOM 173 HB2 MET A 12 6.709 11.060 3.330 1.00 0.00 H ATOM 174 HB3 MET A 12 7.898 11.021 4.653 1.00 0.00 H ATOM 175 HG2 MET A 12 8.467 9.412 3.032 1.00 0.00 H ATOM 176 HG3 MET A 12 6.819 8.743 3.048 1.00 0.00 H ATOM 177 HE1 MET A 12 9.353 6.998 2.918 1.00 0.00 H ATOM 178 HE2 MET A 12 10.319 8.191 3.820 1.00 0.00 H ATOM 179 HE3 MET A 12 10.127 6.538 4.454 1.00 0.00 H ATOM 180 H MET A 12 4.599 9.927 3.486 1.00 0.00 H ATOM 181 N ILE A 13 4.831 12.413 5.609 1.00 9.54 N ATOM 182 CA ILE A 13 4.505 13.652 6.385 1.00 9.81 C ATOM 183 C ILE A 13 3.726 13.172 7.646 1.00 9.22 C ATOM 184 O ILE A 13 3.946 13.658 8.784 1.00 9.84 O ATOM 185 CB ILE A 13 3.748 14.631 5.537 1.00 11.44 C ATOM 186 CG1 ILE A 13 4.779 15.262 4.503 1.00 14.92 C ATOM 187 CG2 ILE A 13 3.045 15.708 6.439 1.00 12.99 C ATOM 188 CD1 ILE A 13 4.003 15.706 3.283 1.00 19.56 C ATOM 189 HA ILE A 13 5.396 14.198 6.695 1.00 0.00 H ATOM 190 HB ILE A 13 2.947 14.143 4.981 1.00 0.00 H ATOM 191 HG12 ILE A 13 5.280 16.118 4.955 1.00 0.00 H ATOM 192 HG13 ILE A 13 5.522 14.516 4.219 1.00 0.00 H ATOM 193 HD11 ILE A 13 3.502 14.845 2.839 1.00 0.00 H ATOM 194 HD12 ILE A 13 3.261 16.448 3.576 1.00 0.00 H ATOM 195 HD13 ILE A 13 4.689 16.143 2.557 1.00 0.00 H ATOM 196 HG21 ILE A 13 2.350 15.214 7.118 1.00 0.00 H ATOM 197 HG22 ILE A 13 3.798 16.245 7.016 1.00 0.00 H ATOM 198 HG23 ILE A 13 2.501 16.410 5.807 1.00 0.00 H ATOM 199 H ILE A 13 4.350 12.241 4.703 1.00 0.00 H ATOM 200 N ASP A 14 2.763 12.311 7.414 1.00 8.53 N ATOM 201 CA ASP A 14 1.966 11.846 8.578 1.00 8.49 C ATOM 202 C ASP A 14 2.852 11.086 9.571 1.00 10.00 C ATOM 203 O ASP A 14 2.693 11.258 10.823 1.00 9.29 O ATOM 204 CB ASP A 14 0.784 10.929 8.074 1.00 7.22 C ATOM 205 CG ASP A 14 -0.267 11.733 7.298 1.00 8.14 C ATOM 206 OD1 ASP A 14 -0.248 12.996 7.369 1.00 12.12 O ATOM 207 OD2 ASP A 14 -1.074 11.072 6.565 1.00 11.91 O ATOM 208 HA ASP A 14 1.551 12.712 9.094 1.00 0.00 H ATOM 209 HB2 ASP A 14 1.190 10.156 7.422 1.00 0.00 H ATOM 210 HB3 ASP A 14 0.307 10.462 8.936 1.00 0.00 H ATOM 211 H ASP A 14 2.566 11.968 6.452 1.00 0.00 H ATOM 212 N MET A 15 3.785 10.257 9.057 1.00 8.68 N ATOM 213 CA MET A 15 4.782 9.617 9.973 1.00 9.26 C ATOM 214 C MET A 15 5.580 10.674 10.751 1.00 10.65 C ATOM 215 O MET A 15 5.746 10.500 11.994 1.00 10.20 O ATOM 216 CB MET A 15 5.739 8.712 9.134 1.00 9.00 C ATOM 217 CG MET A 15 6.729 7.892 10.071 1.00 11.14 C ATOM 218 SD MET A 15 7.999 7.057 9.031 1.00 13.60 S ATOM 219 CE MET A 15 8.988 8.391 8.469 1.00 11.46 C ATOM 220 HA MET A 15 4.251 9.007 10.704 1.00 0.00 H ATOM 221 HB2 MET A 15 5.143 8.012 8.548 1.00 0.00 H ATOM 222 HB3 MET A 15 6.324 9.340 8.462 1.00 0.00 H ATOM 223 HG2 MET A 15 6.166 7.144 10.630 1.00 0.00 H ATOM 224 HG3 MET A 15 7.218 8.572 10.768 1.00 0.00 H ATOM 225 HE1 MET A 15 8.370 9.085 7.900 1.00 0.00 H ATOM 226 HE2 MET A 15 9.421 8.907 9.326 1.00 0.00 H ATOM 227 HE3 MET A 15 9.786 8.007 7.833 1.00 0.00 H ATOM 228 H MET A 15 3.811 10.065 8.035 1.00 0.00 H ATOM 229 N PHE A 16 6.097 11.742 10.113 1.00 8.55 N ATOM 230 CA PHE A 16 6.804 12.785 10.822 1.00 8.60 C ATOM 231 C PHE A 16 5.951 13.343 11.965 1.00 10.15 C ATOM 232 O PHE A 16 6.466 13.507 13.084 1.00 9.68 O ATOM 233 CB PHE A 16 7.040 13.927 9.788 1.00 9.18 C ATOM 234 CG PHE A 16 7.735 15.161 10.329 1.00 7.64 C ATOM 235 CD1 PHE A 16 9.104 15.127 10.682 1.00 10.22 C ATOM 236 CD2 PHE A 16 7.015 16.347 10.507 1.00 10.28 C ATOM 237 CE1 PHE A 16 9.724 16.311 11.174 1.00 11.74 C ATOM 238 CE2 PHE A 16 7.577 17.497 10.967 1.00 10.32 C ATOM 239 CZ PHE A 16 8.961 17.490 11.293 1.00 12.26 C ATOM 240 HA PHE A 16 7.731 12.396 11.244 1.00 0.00 H ATOM 241 HB2 PHE A 16 7.648 13.526 8.977 1.00 0.00 H ATOM 242 HB3 PHE A 16 6.070 14.232 9.396 1.00 0.00 H ATOM 243 HD2 PHE A 16 5.952 16.350 10.265 1.00 0.00 H ATOM 244 HE2 PHE A 16 6.981 18.402 11.083 1.00 0.00 H ATOM 245 HZ PHE A 16 9.437 18.407 11.639 1.00 0.00 H ATOM 246 HE1 PHE A 16 10.777 16.305 11.455 1.00 0.00 H ATOM 247 HD1 PHE A 16 9.678 14.206 10.579 1.00 0.00 H ATOM 248 H PHE A 16 5.984 11.818 9.082 1.00 0.00 H ATOM 249 N HIS A 17 4.671 13.563 11.674 1.00 8.30 N ATOM 250 CA HIS A 17 3.774 14.131 12.717 1.00 6.34 C ATOM 251 C HIS A 17 3.422 13.120 13.819 1.00 9.63 C ATOM 252 O HIS A 17 2.792 13.583 14.781 1.00 10.06 O ATOM 253 CB HIS A 17 2.514 14.677 11.998 1.00 7.21 C ATOM 254 CG HIS A 17 2.764 15.980 11.346 1.00 6.30 C ATOM 255 ND1 HIS A 17 2.017 16.391 10.243 1.00 9.99 N ATOM 256 CD2 HIS A 17 3.637 16.978 11.651 1.00 7.82 C ATOM 257 CE1 HIS A 17 2.419 17.612 9.908 1.00 7.81 C ATOM 258 NE2 HIS A 17 3.410 18.004 10.725 1.00 11.04 N ATOM 259 HA HIS A 17 4.289 14.936 13.241 1.00 0.00 H ATOM 260 HB2 HIS A 17 2.203 13.958 11.240 1.00 0.00 H ATOM 261 HB3 HIS A 17 1.716 14.798 12.731 1.00 0.00 H ATOM 262 HD2 HIS A 17 4.370 16.979 12.458 1.00 0.00 H ATOM 263 HE1 HIS A 17 2.007 18.206 9.093 1.00 0.00 H ATOM 264 H HIS A 17 4.301 13.340 10.728 1.00 0.00 H ATOM 265 N LYS A 18 3.703 11.815 13.741 1.00 8.03 N ATOM 266 CA LYS A 18 3.508 10.970 14.936 1.00 9.32 C ATOM 267 C LYS A 18 4.551 11.376 15.998 1.00 9.52 C ATOM 268 O LYS A 18 4.321 11.037 17.196 1.00 11.16 O ATOM 269 CB LYS A 18 3.757 9.518 14.479 1.00 10.84 C ATOM 270 CG LYS A 18 3.747 8.394 15.355 1.00 22.36 C ATOM 271 CD LYS A 18 2.849 7.343 14.461 1.00 25.12 C ATOM 272 CE LYS A 18 3.618 6.480 13.636 1.00 22.65 C ATOM 273 NZ LYS A 18 3.772 4.991 14.290 1.00 18.84 N ATOM 274 HA LYS A 18 2.512 11.079 15.365 1.00 0.00 H ATOM 275 HB2 LYS A 18 2.998 9.311 13.724 1.00 0.00 H ATOM 276 HB3 LYS A 18 4.742 9.520 14.012 1.00 0.00 H ATOM 277 HG2 LYS A 18 4.752 8.014 15.538 1.00 0.00 H ATOM 278 HG3 LYS A 18 3.269 8.627 16.307 1.00 0.00 H ATOM 279 HD2 LYS A 18 2.260 6.730 15.143 1.00 0.00 H ATOM 280 HD3 LYS A 18 2.180 7.921 13.823 1.00 0.00 H ATOM 281 HE2 LYS A 18 4.610 6.911 13.503 1.00 0.00 H ATOM 282 HE3 LYS A 18 3.129 6.391 12.666 1.00 0.00 H ATOM 283 HZ1 LYS A 18 4.244 5.066 15.213 1.00 0.00 H ATOM 284 HZ2 LYS A 18 2.830 4.569 14.415 1.00 0.00 H ATOM 285 HZ3 LYS A 18 4.340 4.393 13.657 1.00 0.00 H ATOM 286 H LYS A 18 4.053 11.402 12.853 1.00 0.00 H ATOM 287 N TYR A 19 5.684 11.965 15.574 1.00 10.11 N ATOM 288 CA TYR A 19 6.835 12.032 16.494 1.00 8.88 C ATOM 289 C TYR A 19 7.217 13.446 16.893 1.00 10.31 C ATOM 290 O TYR A 19 8.139 13.608 17.741 1.00 12.08 O ATOM 291 CB TYR A 19 8.079 11.336 15.852 1.00 11.61 C ATOM 292 CG TYR A 19 7.816 9.908 15.582 1.00 8.85 C ATOM 293 CD1 TYR A 19 7.916 8.899 16.565 1.00 9.90 C ATOM 294 CD2 TYR A 19 7.499 9.452 14.261 1.00 10.12 C ATOM 295 CE1 TYR A 19 7.656 7.510 16.274 1.00 11.40 C ATOM 296 CE2 TYR A 19 7.178 8.135 13.997 1.00 10.52 C ATOM 297 CZ TYR A 19 7.242 7.165 14.935 1.00 10.43 C ATOM 298 OH TYR A 19 7.056 5.836 14.724 1.00 12.26 O ATOM 299 HA TYR A 19 6.521 11.514 17.400 1.00 0.00 H ATOM 300 HB3 TYR A 19 8.924 11.419 16.535 1.00 0.00 H ATOM 301 HB2 TYR A 19 8.321 11.836 14.914 1.00 0.00 H ATOM 302 HD2 TYR A 19 7.512 10.167 13.439 1.00 0.00 H ATOM 303 HE2 TYR A 19 6.860 7.867 12.990 1.00 0.00 H ATOM 304 HE1 TYR A 19 7.769 6.745 17.042 1.00 0.00 H ATOM 305 HD1 TYR A 19 8.200 9.179 17.579 1.00 0.00 H ATOM 306 HH TYR A 19 7.159 5.350 15.580 1.00 0.00 H ATOM 307 H TYR A 19 5.747 12.365 14.616 1.00 0.00 H ATOM 308 N THR A 20 6.580 14.466 16.313 1.00 8.76 N ATOM 309 CA THR A 20 6.919 15.879 16.612 1.00 9.22 C ATOM 310 C THR A 20 6.412 16.252 18.019 1.00 11.14 C ATOM 311 O THR A 20 5.428 15.640 18.534 1.00 12.44 O ATOM 312 CB THR A 20 6.230 16.861 15.645 1.00 10.55 C ATOM 313 OG1 THR A 20 4.860 16.394 15.468 1.00 9.59 O ATOM 314 CG2 THR A 20 6.922 16.773 14.280 1.00 10.66 C ATOM 315 HA THR A 20 8.002 15.958 16.522 1.00 0.00 H ATOM 316 HB THR A 20 6.271 17.880 16.031 1.00 0.00 H ATOM 317 HG1 THR A 20 4.382 17.002 14.850 1.00 0.00 H ATOM 318 HG23 THR A 20 7.953 17.116 14.374 1.00 0.00 H ATOM 319 HG21 THR A 20 6.911 15.739 13.935 1.00 0.00 H ATOM 320 HG22 THR A 20 6.392 17.402 13.564 1.00 0.00 H ATOM 321 H THR A 20 5.822 14.264 15.630 1.00 0.00 H ATOM 322 N ARG A 21 7.090 17.215 18.616 1.00 13.03 N ATOM 323 CA ARG A 21 6.525 17.992 19.747 1.00 14.90 C ATOM 324 C ARG A 21 5.705 19.153 19.250 1.00 14.06 C ATOM 325 O ARG A 21 5.447 19.363 18.033 1.00 12.39 O ATOM 326 CB ARG A 21 7.726 18.545 20.590 1.00 16.51 C ATOM 327 CG ARG A 21 8.656 17.445 21.085 1.00 23.11 C ATOM 328 CD ARG A 21 8.028 16.579 22.148 1.00 36.17 C ATOM 329 NE ARG A 21 8.928 15.494 22.589 1.00 46.50 N ATOM 330 CZ ARG A 21 8.601 14.503 23.448 1.00 52.13 C ATOM 331 NH1 ARG A 21 7.385 14.450 24.016 1.00 52.51 N ATOM 332 NH2 ARG A 21 9.515 13.567 23.771 1.00 51.97 N ATOM 333 HA ARG A 21 5.878 17.348 20.343 1.00 0.00 H ATOM 334 HB2 ARG A 21 8.300 19.233 19.969 1.00 0.00 H ATOM 335 HB3 ARG A 21 7.329 19.080 21.453 1.00 0.00 H ATOM 336 HG2 ARG A 21 8.930 16.814 20.239 1.00 0.00 H ATOM 337 HG3 ARG A 21 9.553 17.907 21.498 1.00 0.00 H ATOM 338 HD2 ARG A 21 7.116 16.137 21.747 1.00 0.00 H ATOM 339 HD3 ARG A 21 7.781 17.202 23.008 1.00 0.00 H ATOM 340 HE ARG A 21 9.895 15.492 22.206 1.00 0.00 H ATOM 341 HH12 ARG A 21 7.152 13.680 24.675 1.00 0.00 H ATOM 342 HH11 ARG A 21 6.677 15.179 23.797 1.00 0.00 H ATOM 343 HH22 ARG A 21 9.266 12.803 24.432 1.00 0.00 H ATOM 344 HH21 ARG A 21 10.469 13.608 23.360 1.00 0.00 H ATOM 345 H ARG A 21 8.050 17.436 18.283 1.00 0.00 H ATOM 346 N ARG A 22 5.279 20.041 20.199 1.00 14.05 N ATOM 347 CA ARG A 22 4.420 21.110 19.829 1.00 16.31 C ATOM 348 C ARG A 22 5.063 22.158 18.941 1.00 16.19 C ATOM 349 O ARG A 22 4.356 22.941 18.327 1.00 19.26 O ATOM 350 CB ARG A 22 3.952 21.822 21.145 1.00 18.19 C ATOM 351 CG ARG A 22 2.864 21.055 21.851 1.00 26.28 C ATOM 352 CD ARG A 22 2.545 21.647 23.265 1.00 32.83 C ATOM 353 NE ARG A 22 2.230 20.625 24.275 1.00 44.71 N ATOM 354 CZ ARG A 22 1.024 20.359 24.800 1.00 50.56 C ATOM 355 NH1 ARG A 22 -0.107 21.005 24.418 1.00 52.00 N ATOM 356 NH2 ARG A 22 0.955 19.401 25.728 1.00 51.54 N ATOM 357 HA ARG A 22 3.604 20.671 19.254 1.00 0.00 H ATOM 358 HB2 ARG A 22 4.806 21.918 21.815 1.00 0.00 H ATOM 359 HB3 ARG A 22 3.576 22.814 20.893 1.00 0.00 H ATOM 360 HG2 ARG A 22 1.959 21.089 21.244 1.00 0.00 H ATOM 361 HG3 ARG A 22 3.183 20.019 21.968 1.00 0.00 H ATOM 362 HD2 ARG A 22 1.690 22.316 23.173 1.00 0.00 H ATOM 363 HD3 ARG A 22 3.412 22.212 23.606 1.00 0.00 H ATOM 364 HE ARG A 22 3.025 20.049 24.618 1.00 0.00 H ATOM 365 HH12 ARG A 22 -1.018 20.761 24.856 1.00 0.00 H ATOM 366 HH11 ARG A 22 -0.062 21.744 23.687 1.00 0.00 H ATOM 367 HH22 ARG A 22 0.040 19.162 26.162 1.00 0.00 H ATOM 368 HH21 ARG A 22 1.816 18.894 26.017 1.00 0.00 H ATOM 369 H ARG A 22 5.583 19.934 21.188 1.00 0.00 H ATOM 370 N ASP A 23 6.408 22.145 18.793 1.00 14.09 N ATOM 371 CA ASP A 23 7.028 23.088 17.900 1.00 13.46 C ATOM 372 C ASP A 23 7.235 22.468 16.475 1.00 12.46 C ATOM 373 O ASP A 23 7.958 23.081 15.684 1.00 11.99 O ATOM 374 CB ASP A 23 8.416 23.433 18.488 1.00 14.90 C ATOM 375 CG ASP A 23 9.342 22.214 18.593 1.00 17.09 C ATOM 376 OD1 ASP A 23 8.951 21.033 18.384 1.00 14.23 O ATOM 377 OD2 ASP A 23 10.576 22.397 18.995 1.00 22.85 O ATOM 378 HA ASP A 23 6.392 23.968 17.802 1.00 0.00 H ATOM 379 HB2 ASP A 23 8.890 24.176 17.847 1.00 0.00 H ATOM 380 HB3 ASP A 23 8.277 23.851 19.485 1.00 0.00 H ATOM 381 H ASP A 23 6.988 21.461 19.319 1.00 0.00 H ATOM 382 N ASP A 24 6.550 21.359 16.193 1.00 13.99 N ATOM 383 CA ASP A 24 6.578 20.713 14.856 1.00 10.92 C ATOM 384 C ASP A 24 8.016 20.223 14.546 1.00 11.29 C ATOM 385 O ASP A 24 8.399 20.085 13.347 1.00 10.53 O ATOM 386 CB ASP A 24 6.150 21.704 13.764 1.00 10.81 C ATOM 387 CG ASP A 24 5.809 20.995 12.444 1.00 11.34 C ATOM 388 OD1 ASP A 24 5.166 19.914 12.452 1.00 10.66 O ATOM 389 OD2 ASP A 24 6.196 21.575 11.395 1.00 12.31 O ATOM 390 HA ASP A 24 5.885 19.872 14.868 1.00 0.00 H ATOM 391 HB2 ASP A 24 5.271 22.249 14.108 1.00 0.00 H ATOM 392 HB3 ASP A 24 6.965 22.406 13.586 1.00 0.00 H ATOM 393 H ASP A 24 5.971 20.928 16.942 1.00 0.00 H ATOM 394 N LYS A 25 8.796 19.904 15.588 1.00 9.87 N ATOM 395 CA LYS A 25 10.144 19.304 15.401 1.00 9.85 C ATOM 396 C LYS A 25 10.299 18.055 16.249 1.00 9.74 C ATOM 397 O LYS A 25 9.543 17.837 17.241 1.00 11.50 O ATOM 398 CB LYS A 25 11.199 20.342 15.696 1.00 9.51 C ATOM 399 CG LYS A 25 10.989 21.651 15.056 1.00 11.73 C ATOM 400 CD LYS A 25 12.176 22.617 15.430 1.00 15.55 C ATOM 401 CE LYS A 25 11.902 23.928 14.775 1.00 21.58 C ATOM 402 NZ LYS A 25 12.777 25.036 15.333 1.00 29.28 N ATOM 403 HA LYS A 25 10.268 18.988 14.365 1.00 0.00 H ATOM 404 HB2 LYS A 25 11.229 20.495 16.775 1.00 0.00 H ATOM 405 HB3 LYS A 25 12.159 19.952 15.359 1.00 0.00 H ATOM 406 HG2 LYS A 25 10.951 21.524 13.974 1.00 0.00 H ATOM 407 HG3 LYS A 25 10.049 22.079 15.404 1.00 0.00 H ATOM 408 HD2 LYS A 25 12.228 22.743 16.511 1.00 0.00 H ATOM 409 HD3 LYS A 25 13.119 22.208 15.067 1.00 0.00 H ATOM 410 HE2 LYS A 25 10.856 24.190 14.936 1.00 0.00 H ATOM 411 HE3 LYS A 25 12.092 23.834 13.706 1.00 0.00 H ATOM 412 HZ1 LYS A 25 12.598 25.138 16.352 1.00 0.00 H ATOM 413 HZ2 LYS A 25 13.777 24.797 15.178 1.00 0.00 H ATOM 414 HZ3 LYS A 25 12.553 25.929 14.850 1.00 0.00 H ATOM 415 H LYS A 25 8.450 20.081 16.553 1.00 0.00 H ATOM 416 N ILE A 26 11.238 17.170 15.885 1.00 8.99 N ATOM 417 CA ILE A 26 11.360 15.880 16.575 1.00 9.29 C ATOM 418 C ILE A 26 12.615 15.978 17.477 1.00 9.69 C ATOM 419 O ILE A 26 13.757 16.357 17.047 1.00 10.65 O ATOM 420 CB ILE A 26 11.580 14.782 15.523 1.00 7.17 C ATOM 421 CG1 ILE A 26 10.309 14.682 14.634 1.00 10.84 C ATOM 422 CG2 ILE A 26 11.824 13.504 16.228 1.00 9.00 C ATOM 423 CD1 ILE A 26 10.467 13.578 13.500 1.00 9.28 C ATOM 424 HA ILE A 26 10.470 15.648 17.160 1.00 0.00 H ATOM 425 HB ILE A 26 12.437 15.012 14.889 1.00 0.00 H ATOM 426 HG12 ILE A 26 9.457 14.423 15.263 1.00 0.00 H ATOM 427 HG13 ILE A 26 10.130 15.649 14.163 1.00 0.00 H ATOM 428 HD11 ILE A 26 11.313 13.833 12.862 1.00 0.00 H ATOM 429 HD12 ILE A 26 10.639 12.606 13.962 1.00 0.00 H ATOM 430 HD13 ILE A 26 9.557 13.541 12.902 1.00 0.00 H ATOM 431 HG21 ILE A 26 12.708 13.601 16.858 1.00 0.00 H ATOM 432 HG22 ILE A 26 10.960 13.261 16.847 1.00 0.00 H ATOM 433 HG23 ILE A 26 11.983 12.712 15.497 1.00 0.00 H ATOM 434 H ILE A 26 11.887 17.400 15.105 1.00 0.00 H ATOM 435 N ASP A 27 12.433 15.592 18.738 1.00 9.70 N ATOM 436 CA ASP A 27 13.632 15.566 19.637 1.00 11.10 C ATOM 437 C ASP A 27 14.433 14.266 19.489 1.00 11.26 C ATOM 438 O ASP A 27 14.064 13.324 18.757 1.00 11.49 O ATOM 439 CB ASP A 27 13.194 15.810 21.117 1.00 11.91 C ATOM 440 CG ASP A 27 12.386 14.703 21.675 1.00 12.77 C ATOM 441 OD1 ASP A 27 12.379 13.559 21.244 1.00 13.25 O ATOM 442 OD2 ASP A 27 11.773 14.917 22.778 1.00 18.82 O ATOM 443 HA ASP A 27 14.300 16.373 19.337 1.00 0.00 H ATOM 444 HB2 ASP A 27 14.089 15.929 21.728 1.00 0.00 H ATOM 445 HB3 ASP A 27 12.603 16.725 21.158 1.00 0.00 H ATOM 446 H ASP A 27 11.492 15.318 19.087 1.00 0.00 H ATOM 447 N LYS A 28 15.603 14.183 20.158 1.00 11.57 N ATOM 448 CA LYS A 28 16.448 13.001 19.886 1.00 10.74 C ATOM 449 C LYS A 28 15.869 11.653 20.236 1.00 9.83 C ATOM 450 O LYS A 28 15.899 10.718 19.412 1.00 10.64 O ATOM 451 CB LYS A 28 17.893 13.240 20.528 1.00 10.19 C ATOM 452 CG LYS A 28 18.777 12.044 20.282 1.00 10.48 C ATOM 453 CD LYS A 28 20.241 12.419 20.669 1.00 9.44 C ATOM 454 CE LYS A 28 21.072 11.270 20.479 1.00 11.67 C ATOM 455 NZ LYS A 28 22.501 11.679 20.903 1.00 12.71 N ATOM 456 HA LYS A 28 16.517 12.928 18.801 1.00 0.00 H ATOM 457 HB2 LYS A 28 18.347 14.122 20.076 1.00 0.00 H ATOM 458 HB3 LYS A 28 17.789 13.396 21.602 1.00 0.00 H ATOM 459 HG2 LYS A 28 18.439 11.206 20.891 1.00 0.00 H ATOM 460 HG3 LYS A 28 18.735 11.766 19.229 1.00 0.00 H ATOM 461 HD2 LYS A 28 20.591 13.234 20.036 1.00 0.00 H ATOM 462 HD3 LYS A 28 20.277 12.730 21.713 1.00 0.00 H ATOM 463 HE2 LYS A 28 21.063 10.968 19.432 1.00 0.00 H ATOM 464 HE3 LYS A 28 20.719 10.444 21.097 1.00 0.00 H ATOM 465 HZ1 LYS A 28 22.824 12.471 20.311 1.00 0.00 H ATOM 466 HZ2 LYS A 28 22.495 11.971 21.901 1.00 0.00 H ATOM 467 HZ3 LYS A 28 23.143 10.870 20.781 1.00 0.00 H ATOM 468 H LYS A 28 15.896 14.917 20.834 1.00 0.00 H ATOM 469 N PRO A 29 15.269 11.467 21.445 1.00 10.59 N ATOM 470 CA PRO A 29 14.729 10.109 21.713 1.00 12.06 C ATOM 471 C PRO A 29 13.572 9.742 20.758 1.00 10.02 C ATOM 472 O PRO A 29 13.506 8.580 20.385 1.00 10.29 O ATOM 473 CB PRO A 29 14.251 10.182 23.211 1.00 14.78 C ATOM 474 CG PRO A 29 14.906 11.445 23.722 1.00 14.80 C ATOM 475 CD PRO A 29 15.172 12.401 22.600 1.00 12.15 C ATOM 476 HA PRO A 29 15.473 9.329 21.548 1.00 0.00 H ATOM 477 HD3 PRO A 29 14.353 13.109 22.475 1.00 0.00 H ATOM 478 HD2 PRO A 29 16.103 12.948 22.752 1.00 0.00 H ATOM 479 HG3 PRO A 29 15.849 11.188 24.204 1.00 0.00 H ATOM 480 HG2 PRO A 29 14.247 11.921 24.448 1.00 0.00 H ATOM 481 HB2 PRO A 29 13.165 10.252 23.272 1.00 0.00 H ATOM 482 HB3 PRO A 29 14.589 9.311 23.772 1.00 0.00 H ATOM 483 N SER A 30 12.851 10.761 20.305 1.00 10.64 N ATOM 484 CA SER A 30 11.681 10.508 19.405 1.00 10.38 C ATOM 485 C SER A 30 12.249 10.151 18.020 1.00 9.64 C ATOM 486 O SER A 30 11.670 9.277 17.326 1.00 9.29 O ATOM 487 CB SER A 30 10.794 11.721 19.297 1.00 12.02 C ATOM 488 OG SER A 30 10.173 11.935 20.647 1.00 17.36 O ATOM 489 HA SER A 30 11.070 9.701 19.808 1.00 0.00 H ATOM 490 HB2 SER A 30 10.018 11.552 18.551 1.00 0.00 H ATOM 491 HB3 SER A 30 11.384 12.592 19.014 1.00 0.00 H ATOM 492 HG SER A 30 10.886 12.082 21.318 1.00 0.00 H ATOM 493 H SER A 30 13.099 11.734 20.575 1.00 0.00 H ATOM 494 N LEU A 31 13.346 10.787 17.644 1.00 8.94 N ATOM 495 CA LEU A 31 13.971 10.413 16.303 1.00 10.34 C ATOM 496 C LEU A 31 14.428 8.986 16.326 1.00 11.07 C ATOM 497 O LEU A 31 14.228 8.242 15.321 1.00 9.44 O ATOM 498 CB LEU A 31 15.055 11.421 15.846 1.00 8.63 C ATOM 499 CG LEU A 31 15.628 11.120 14.436 1.00 7.66 C ATOM 500 CD1 LEU A 31 14.709 11.868 13.538 1.00 11.61 C ATOM 501 CD2 LEU A 31 17.105 11.643 14.295 1.00 8.23 C ATOM 502 HA LEU A 31 13.205 10.486 15.531 1.00 0.00 H ATOM 503 HB2 LEU A 31 14.615 12.418 15.834 1.00 0.00 H ATOM 504 HB3 LEU A 31 15.875 11.395 16.564 1.00 0.00 H ATOM 505 HG LEU A 31 15.678 10.054 14.213 1.00 0.00 H ATOM 506 HD21 LEU A 31 17.124 12.721 14.455 1.00 0.00 H ATOM 507 HD22 LEU A 31 17.735 11.153 15.038 1.00 0.00 H ATOM 508 HD23 LEU A 31 17.476 11.416 13.295 1.00 0.00 H ATOM 509 HD11 LEU A 31 13.693 11.495 13.667 1.00 0.00 H ATOM 510 HD12 LEU A 31 14.742 12.928 13.788 1.00 0.00 H ATOM 511 HD13 LEU A 31 15.020 11.727 12.503 1.00 0.00 H ATOM 512 H LEU A 31 13.771 11.521 18.245 1.00 0.00 H ATOM 513 N LEU A 32 15.111 8.600 17.411 1.00 10.43 N ATOM 514 CA LEU A 32 15.563 7.259 17.473 1.00 10.72 C ATOM 515 C LEU A 32 14.418 6.210 17.496 1.00 8.79 C ATOM 516 O LEU A 32 14.523 5.182 16.781 1.00 11.32 O ATOM 517 CB LEU A 32 16.508 7.085 18.716 1.00 11.06 C ATOM 518 CG LEU A 32 17.664 8.087 18.711 1.00 16.19 C ATOM 519 CD1 LEU A 32 18.519 7.686 20.005 1.00 15.64 C ATOM 520 CD2 LEU A 32 18.481 8.222 17.420 1.00 17.42 C ATOM 521 HA LEU A 32 16.113 7.065 16.552 1.00 0.00 H ATOM 522 HB2 LEU A 32 15.923 7.229 19.624 1.00 0.00 H ATOM 523 HB3 LEU A 32 16.919 6.075 18.706 1.00 0.00 H ATOM 524 HG LEU A 32 17.277 9.105 18.749 1.00 0.00 H ATOM 525 HD21 LEU A 32 18.932 7.261 17.175 1.00 0.00 H ATOM 526 HD22 LEU A 32 17.825 8.535 16.608 1.00 0.00 H ATOM 527 HD23 LEU A 32 19.264 8.966 17.563 1.00 0.00 H ATOM 528 HD11 LEU A 32 17.895 7.778 20.894 1.00 0.00 H ATOM 529 HD12 LEU A 32 18.863 6.657 19.907 1.00 0.00 H ATOM 530 HD13 LEU A 32 19.378 8.351 20.092 1.00 0.00 H ATOM 531 H LEU A 32 15.304 9.266 18.186 1.00 0.00 H ATOM 532 N THR A 33 13.349 6.507 18.208 1.00 11.29 N ATOM 533 CA THR A 33 12.148 5.706 18.186 1.00 12.28 C ATOM 534 C THR A 33 11.572 5.600 16.736 1.00 11.62 C ATOM 535 O THR A 33 11.225 4.495 16.295 1.00 11.18 O ATOM 536 CB THR A 33 11.132 6.195 19.179 1.00 14.79 C ATOM 537 OG1 THR A 33 11.734 6.033 20.520 1.00 15.20 O ATOM 538 CG2 THR A 33 9.914 5.311 19.080 1.00 14.59 C ATOM 539 HA THR A 33 12.412 4.696 18.498 1.00 0.00 H ATOM 540 HB THR A 33 10.852 7.232 18.996 1.00 0.00 H ATOM 541 HG1 THR A 33 11.944 5.078 20.673 1.00 0.00 H ATOM 542 HG23 THR A 33 9.464 5.424 18.094 1.00 0.00 H ATOM 543 HG21 THR A 33 10.208 4.272 19.230 1.00 0.00 H ATOM 544 HG22 THR A 33 9.194 5.600 19.845 1.00 0.00 H ATOM 545 H THR A 33 13.372 7.354 18.811 1.00 0.00 H ATOM 546 N MET A 34 11.458 6.723 16.100 1.00 10.90 N ATOM 547 CA MET A 34 10.968 6.775 14.686 1.00 7.57 C ATOM 548 C MET A 34 11.773 5.833 13.796 1.00 9.34 C ATOM 549 O MET A 34 11.187 5.034 13.015 1.00 9.25 O ATOM 550 CB MET A 34 10.982 8.254 14.142 1.00 8.86 C ATOM 551 CG MET A 34 10.427 8.331 12.746 1.00 10.65 C ATOM 552 SD MET A 34 11.655 7.952 11.405 1.00 16.17 S ATOM 553 CE MET A 34 12.876 9.325 11.630 1.00 13.63 C ATOM 554 HA MET A 34 9.934 6.432 14.667 1.00 0.00 H ATOM 555 HB2 MET A 34 10.378 8.880 14.799 1.00 0.00 H ATOM 556 HB3 MET A 34 12.009 8.620 14.136 1.00 0.00 H ATOM 557 HG2 MET A 34 10.048 9.340 12.585 1.00 0.00 H ATOM 558 HG3 MET A 34 9.605 7.619 12.666 1.00 0.00 H ATOM 559 HE1 MET A 34 12.372 10.283 11.498 1.00 0.00 H ATOM 560 HE2 MET A 34 13.300 9.272 12.633 1.00 0.00 H ATOM 561 HE3 MET A 34 13.672 9.226 10.892 1.00 0.00 H ATOM 562 H MET A 34 11.713 7.608 16.583 1.00 0.00 H ATOM 563 N MET A 35 13.110 5.861 13.943 1.00 9.61 N ATOM 564 CA MET A 35 13.958 4.988 13.122 1.00 11.18 C ATOM 565 C MET A 35 13.717 3.517 13.422 1.00 9.89 C ATOM 566 O MET A 35 13.622 2.716 12.529 1.00 9.75 O ATOM 567 CB MET A 35 15.451 5.394 13.292 1.00 11.80 C ATOM 568 CG MET A 35 15.760 6.756 12.689 1.00 10.51 C ATOM 569 SD MET A 35 15.640 6.770 10.872 1.00 13.95 S ATOM 570 CE MET A 35 16.852 5.546 10.391 1.00 14.90 C ATOM 571 HA MET A 35 13.688 5.123 12.075 1.00 0.00 H ATOM 572 HB2 MET A 35 15.686 5.422 14.356 1.00 0.00 H ATOM 573 HB3 MET A 35 16.074 4.646 12.802 1.00 0.00 H ATOM 574 HG2 MET A 35 16.773 7.041 12.973 1.00 0.00 H ATOM 575 HG3 MET A 35 15.054 7.483 13.090 1.00 0.00 H ATOM 576 HE1 MET A 35 17.835 5.849 10.752 1.00 0.00 H ATOM 577 HE2 MET A 35 16.585 4.582 10.825 1.00 0.00 H ATOM 578 HE3 MET A 35 16.872 5.464 9.304 1.00 0.00 H ATOM 579 H MET A 35 13.543 6.501 14.639 1.00 0.00 H ATOM 580 N LYS A 36 13.672 3.173 14.724 1.00 10.61 N ATOM 581 CA LYS A 36 13.507 1.790 15.087 1.00 10.53 C ATOM 582 C LYS A 36 12.136 1.242 14.584 1.00 11.47 C ATOM 583 O LYS A 36 12.063 0.030 14.230 1.00 13.63 O ATOM 584 CB LYS A 36 13.503 1.729 16.622 1.00 11.43 C ATOM 585 CG LYS A 36 14.924 1.715 17.150 1.00 16.68 C ATOM 586 CD LYS A 36 14.881 1.828 18.710 1.00 18.99 C ATOM 587 CE LYS A 36 16.286 2.197 19.345 1.00 29.79 C ATOM 588 NZ LYS A 36 16.212 2.076 20.915 1.00 29.39 N ATOM 589 HA LYS A 36 14.307 1.196 14.644 1.00 0.00 H ATOM 590 HB2 LYS A 36 12.981 2.601 17.016 1.00 0.00 H ATOM 591 HB3 LYS A 36 12.990 0.823 16.945 1.00 0.00 H ATOM 592 HG2 LYS A 36 15.413 0.784 16.863 1.00 0.00 H ATOM 593 HG3 LYS A 36 15.478 2.558 16.736 1.00 0.00 H ATOM 594 HD2 LYS A 36 14.163 2.601 18.983 1.00 0.00 H ATOM 595 HD3 LYS A 36 14.556 0.871 19.119 1.00 0.00 H ATOM 596 HE2 LYS A 36 16.549 3.219 19.073 1.00 0.00 H ATOM 597 HE3 LYS A 36 17.046 1.514 18.965 1.00 0.00 H ATOM 598 HZ1 LYS A 36 15.488 2.729 21.278 1.00 0.00 H ATOM 599 HZ2 LYS A 36 15.962 1.100 21.175 1.00 0.00 H ATOM 600 HZ3 LYS A 36 17.137 2.319 21.324 1.00 0.00 H ATOM 601 H LYS A 36 13.756 3.902 15.461 1.00 0.00 H ATOM 602 N GLU A 37 11.104 2.083 14.616 1.00 10.81 N ATOM 603 CA GLU A 37 9.723 1.654 14.287 1.00 11.54 C ATOM 604 C GLU A 37 9.524 1.639 12.796 1.00 12.62 C ATOM 605 O GLU A 37 8.723 0.832 12.296 1.00 14.89 O ATOM 606 CB GLU A 37 8.743 2.621 14.893 1.00 11.69 C ATOM 607 CG GLU A 37 8.646 2.380 16.427 1.00 13.55 C ATOM 608 CD GLU A 37 7.596 3.264 17.149 1.00 15.95 C ATOM 609 OE1 GLU A 37 7.008 4.257 16.677 1.00 17.06 O ATOM 610 OE2 GLU A 37 7.321 2.842 18.344 1.00 23.38 O ATOM 611 HA GLU A 37 9.563 0.652 14.685 1.00 0.00 H ATOM 612 HB2 GLU A 37 9.079 3.641 14.707 1.00 0.00 H ATOM 613 HB3 GLU A 37 7.762 2.474 14.440 1.00 0.00 H ATOM 614 HG2 GLU A 37 8.384 1.335 16.592 1.00 0.00 H ATOM 615 HG3 GLU A 37 9.623 2.582 16.867 1.00 0.00 H ATOM 616 H GLU A 37 11.272 3.075 14.881 1.00 0.00 H ATOM 617 N ASN A 38 10.223 2.546 12.101 1.00 8.59 N ATOM 618 CA ASN A 38 9.903 2.691 10.671 1.00 8.46 C ATOM 619 C ASN A 38 10.992 2.243 9.707 1.00 7.28 C ATOM 620 O ASN A 38 10.693 1.963 8.513 1.00 9.08 O ATOM 621 CB ASN A 38 9.531 4.141 10.330 1.00 9.13 C ATOM 622 CG ASN A 38 8.242 4.545 11.063 1.00 10.51 C ATOM 623 OD1 ASN A 38 7.131 4.276 10.597 1.00 11.70 O ATOM 624 ND2 ASN A 38 8.408 5.150 12.240 1.00 9.62 N ATOM 625 HA ASN A 38 9.058 2.017 10.530 1.00 0.00 H ATOM 626 HB2 ASN A 38 10.342 4.802 10.636 1.00 0.00 H ATOM 627 HB3 ASN A 38 9.377 4.230 9.255 1.00 0.00 H ATOM 628 HD22 ASN A 38 9.366 5.355 12.589 1.00 0.00 H ATOM 629 HD21 ASN A 38 7.579 5.417 12.809 1.00 0.00 H ATOM 630 H ASN A 38 10.961 3.124 12.552 1.00 0.00 H ATOM 631 N PHE A 39 12.219 2.067 10.223 1.00 9.46 N ATOM 632 CA PHE A 39 13.289 1.583 9.361 1.00 8.49 C ATOM 633 C PHE A 39 14.061 0.393 9.982 1.00 9.88 C ATOM 634 O PHE A 39 15.321 0.336 9.880 1.00 11.09 O ATOM 635 CB PHE A 39 14.275 2.724 9.009 1.00 10.84 C ATOM 636 CG PHE A 39 13.612 3.804 8.182 1.00 9.15 C ATOM 637 CD1 PHE A 39 13.407 3.607 6.794 1.00 11.02 C ATOM 638 CD2 PHE A 39 13.146 4.969 8.801 1.00 10.47 C ATOM 639 CE1 PHE A 39 12.685 4.655 6.039 1.00 10.95 C ATOM 640 CE2 PHE A 39 12.482 5.965 8.015 1.00 10.49 C ATOM 641 CZ PHE A 39 12.255 5.744 6.660 1.00 10.99 C ATOM 642 HA PHE A 39 12.811 1.225 8.449 1.00 0.00 H ATOM 643 HB2 PHE A 39 14.648 3.166 9.933 1.00 0.00 H ATOM 644 HB3 PHE A 39 15.109 2.308 8.444 1.00 0.00 H ATOM 645 HD2 PHE A 39 13.287 5.117 9.872 1.00 0.00 H ATOM 646 HE2 PHE A 39 12.155 6.896 8.478 1.00 0.00 H ATOM 647 HZ PHE A 39 11.705 6.492 6.090 1.00 0.00 H ATOM 648 HE1 PHE A 39 12.507 4.531 4.971 1.00 0.00 H ATOM 649 HD1 PHE A 39 13.771 2.708 6.296 1.00 0.00 H ATOM 650 H PHE A 39 12.403 2.274 11.225 1.00 0.00 H ATOM 651 N PRO A 40 13.287 -0.562 10.560 1.00 11.06 N ATOM 652 CA PRO A 40 14.009 -1.643 11.233 1.00 12.34 C ATOM 653 C PRO A 40 14.882 -2.538 10.296 1.00 13.69 C ATOM 654 O PRO A 40 15.936 -3.077 10.735 1.00 14.98 O ATOM 655 CB PRO A 40 12.883 -2.396 11.911 1.00 12.63 C ATOM 656 CG PRO A 40 11.690 -2.315 10.910 1.00 11.41 C ATOM 657 CD PRO A 40 11.839 -0.786 10.546 1.00 10.27 C ATOM 658 HA PRO A 40 14.770 -1.271 11.920 1.00 0.00 H ATOM 659 HD3 PRO A 40 11.423 -0.579 9.560 1.00 0.00 H ATOM 660 HD2 PRO A 40 11.342 -0.160 11.287 1.00 0.00 H ATOM 661 HG3 PRO A 40 10.734 -2.539 11.383 1.00 0.00 H ATOM 662 HG2 PRO A 40 11.827 -2.964 10.045 1.00 0.00 H ATOM 663 HB2 PRO A 40 13.166 -3.434 12.088 1.00 0.00 H ATOM 664 HB3 PRO A 40 12.622 -1.925 12.859 1.00 0.00 H ATOM 665 N ASN A 41 14.398 -2.796 9.075 1.00 11.27 N ATOM 666 CA ASN A 41 15.157 -3.592 8.154 1.00 13.13 C ATOM 667 C ASN A 41 16.400 -2.867 7.638 1.00 14.21 C ATOM 668 O ASN A 41 17.481 -3.468 7.501 1.00 13.24 O ATOM 669 CB ASN A 41 14.220 -4.101 7.014 1.00 13.03 C ATOM 670 CG ASN A 41 13.101 -4.935 7.575 1.00 16.53 C ATOM 671 OD1 ASN A 41 13.353 -6.057 8.160 1.00 18.66 O ATOM 672 ND2 ASN A 41 11.913 -4.441 7.534 1.00 13.84 N ATOM 673 HA ASN A 41 15.548 -4.462 8.681 1.00 0.00 H ATOM 674 HB2 ASN A 41 13.799 -3.244 6.488 1.00 0.00 H ATOM 675 HB3 ASN A 41 14.801 -4.704 6.316 1.00 0.00 H ATOM 676 HD22 ASN A 41 11.743 -3.534 7.054 1.00 0.00 H ATOM 677 HD21 ASN A 41 11.123 -4.949 7.981 1.00 0.00 H ATOM 678 H ASN A 41 13.471 -2.419 8.794 1.00 0.00 H ATOM 679 N PHE A 42 16.268 -1.537 7.380 1.00 11.08 N ATOM 680 CA PHE A 42 17.390 -0.756 7.014 1.00 11.47 C ATOM 681 C PHE A 42 18.435 -0.786 8.189 1.00 11.48 C ATOM 682 O PHE A 42 19.632 -0.936 7.978 1.00 12.90 O ATOM 683 CB PHE A 42 16.873 0.711 6.852 1.00 11.56 C ATOM 684 CG PHE A 42 17.994 1.705 6.673 1.00 13.83 C ATOM 685 CD1 PHE A 42 18.628 1.874 5.433 1.00 16.66 C ATOM 686 CD2 PHE A 42 18.365 2.512 7.753 1.00 14.26 C ATOM 687 CE1 PHE A 42 19.709 2.782 5.282 1.00 20.34 C ATOM 688 CE2 PHE A 42 19.456 3.506 7.573 1.00 13.04 C ATOM 689 CZ PHE A 42 20.073 3.610 6.334 1.00 14.05 C ATOM 690 HA PHE A 42 17.855 -1.128 6.101 1.00 0.00 H ATOM 691 HB2 PHE A 42 16.222 0.758 5.979 1.00 0.00 H ATOM 692 HB3 PHE A 42 16.305 0.982 7.742 1.00 0.00 H ATOM 693 HD2 PHE A 42 17.861 2.414 8.714 1.00 0.00 H ATOM 694 HE2 PHE A 42 19.766 4.143 8.401 1.00 0.00 H ATOM 695 HZ PHE A 42 20.856 4.354 6.185 1.00 0.00 H ATOM 696 HE1 PHE A 42 20.253 2.829 4.339 1.00 0.00 H ATOM 697 HD1 PHE A 42 18.285 1.299 4.572 1.00 0.00 H ATOM 698 H PHE A 42 15.332 -1.090 7.453 1.00 0.00 H ATOM 699 N LEU A 43 17.960 -0.654 9.423 1.00 11.19 N ATOM 700 CA LEU A 43 18.841 -0.590 10.625 1.00 13.05 C ATOM 701 C LEU A 43 19.509 -1.977 10.819 1.00 14.54 C ATOM 702 O LEU A 43 20.726 -2.041 11.093 1.00 15.47 O ATOM 703 CB LEU A 43 18.068 -0.241 11.920 1.00 15.17 C ATOM 704 CG LEU A 43 17.658 1.245 12.048 1.00 12.99 C ATOM 705 CD1 LEU A 43 16.928 1.462 13.395 1.00 14.03 C ATOM 706 CD2 LEU A 43 18.991 2.180 11.874 1.00 13.74 C ATOM 707 HA LEU A 43 19.573 0.199 10.452 1.00 0.00 H ATOM 708 HB2 LEU A 43 17.162 -0.847 11.949 1.00 0.00 H ATOM 709 HB3 LEU A 43 18.700 -0.494 12.771 1.00 0.00 H ATOM 710 HG LEU A 43 16.958 1.532 11.263 1.00 0.00 H ATOM 711 HD21 LEU A 43 19.714 1.928 12.650 1.00 0.00 H ATOM 712 HD22 LEU A 43 19.433 2.002 10.893 1.00 0.00 H ATOM 713 HD23 LEU A 43 18.711 3.230 11.963 1.00 0.00 H ATOM 714 HD11 LEU A 43 16.038 0.834 13.430 1.00 0.00 H ATOM 715 HD12 LEU A 43 17.595 1.196 14.215 1.00 0.00 H ATOM 716 HD13 LEU A 43 16.639 2.509 13.486 1.00 0.00 H ATOM 717 H LEU A 43 16.930 -0.593 9.556 1.00 0.00 H ATOM 718 N SER A 44 18.779 -3.026 10.536 1.00 15.83 N ATOM 719 CA SER A 44 19.375 -4.415 10.636 1.00 17.05 C ATOM 720 C SER A 44 20.468 -4.605 9.621 1.00 18.60 C ATOM 721 O SER A 44 21.545 -5.241 9.951 1.00 20.49 O ATOM 722 CB SER A 44 18.264 -5.452 10.432 1.00 18.56 C ATOM 723 OG SER A 44 18.805 -6.764 10.483 1.00 29.81 O ATOM 724 HA SER A 44 19.817 -4.544 11.624 1.00 0.00 H ATOM 725 HB2 SER A 44 17.796 -5.292 9.461 1.00 0.00 H ATOM 726 HB3 SER A 44 17.517 -5.339 11.217 1.00 0.00 H ATOM 727 HG SER A 44 18.079 -7.424 10.350 1.00 0.00 H ATOM 728 H SER A 44 17.789 -2.906 10.242 1.00 0.00 H ATOM 729 N ALA A 45 20.291 -4.065 8.392 1.00 14.59 N ATOM 730 CA ALA A 45 21.305 -4.268 7.361 1.00 15.48 C ATOM 731 C ALA A 45 22.569 -3.482 7.785 1.00 16.91 C ATOM 732 O ALA A 45 23.711 -3.998 7.603 1.00 19.29 O ATOM 733 CB ALA A 45 20.786 -3.807 6.055 1.00 14.26 C ATOM 734 HA ALA A 45 21.557 -5.323 7.254 1.00 0.00 H ATOM 735 HB1 ALA A 45 19.891 -4.375 5.800 1.00 0.00 H ATOM 736 HB2 ALA A 45 20.540 -2.747 6.117 1.00 0.00 H ATOM 737 HB3 ALA A 45 21.546 -3.960 5.289 1.00 0.00 H ATOM 738 H ALA A 45 19.437 -3.509 8.183 1.00 0.00 H ATOM 739 N CYS A 46 22.375 -2.282 8.409 1.00 17.06 N ATOM 740 CA CYS A 46 23.493 -1.511 8.907 1.00 16.13 C ATOM 741 C CYS A 46 24.250 -2.286 9.992 1.00 18.33 C ATOM 742 O CYS A 46 25.494 -2.380 9.942 1.00 19.79 O ATOM 743 CB CYS A 46 23.023 -0.176 9.498 1.00 17.12 C ATOM 744 SG CYS A 46 22.631 1.022 8.179 1.00 20.66 S ATOM 745 HA CYS A 46 24.154 -1.321 8.062 1.00 0.00 H ATOM 746 HB2 CYS A 46 23.813 0.233 10.128 1.00 0.00 H ATOM 747 HB3 CYS A 46 22.131 -0.347 10.101 1.00 0.00 H ATOM 748 H CYS A 46 21.408 -1.917 8.528 1.00 0.00 H ATOM 749 N ASP A 47 23.523 -2.802 10.977 1.00 19.50 N ATOM 750 CA ASP A 47 24.128 -3.565 12.113 1.00 23.05 C ATOM 751 C ASP A 47 24.956 -4.704 11.569 1.00 24.99 C ATOM 752 O ASP A 47 26.039 -4.973 12.122 1.00 25.73 O ATOM 753 CB ASP A 47 23.045 -4.214 12.994 1.00 23.13 C ATOM 754 CG ASP A 47 22.297 -3.227 13.821 1.00 31.54 C ATOM 755 OD1 ASP A 47 22.807 -2.087 14.039 1.00 32.65 O ATOM 756 OD2 ASP A 47 21.223 -3.640 14.318 1.00 35.30 O ATOM 757 HA ASP A 47 24.721 -2.858 12.694 1.00 0.00 H ATOM 758 HB2 ASP A 47 22.337 -4.733 12.348 1.00 0.00 H ATOM 759 HB3 ASP A 47 23.523 -4.933 13.659 1.00 0.00 H ATOM 760 H ASP A 47 22.492 -2.670 10.958 1.00 0.00 H ATOM 761 N LYS A 48 24.450 -5.391 10.531 1.00 24.95 N ATOM 762 CA LYS A 48 25.122 -6.591 10.026 1.00 27.79 C ATOM 763 C LYS A 48 26.492 -6.251 9.494 1.00 28.03 C ATOM 764 O LYS A 48 27.371 -7.153 9.498 1.00 29.37 O ATOM 765 CB LYS A 48 24.349 -7.273 8.919 1.00 27.84 C ATOM 766 CG LYS A 48 23.313 -8.297 9.402 1.00 36.42 C ATOM 767 CD LYS A 48 22.861 -9.121 8.181 1.00 43.53 C ATOM 768 CE LYS A 48 21.299 -9.191 8.039 1.00 47.53 C ATOM 769 NZ LYS A 48 20.524 -9.015 9.307 1.00 50.44 N ATOM 770 HA LYS A 48 25.193 -7.272 10.874 1.00 0.00 H ATOM 771 HB2 LYS A 48 23.828 -6.506 8.345 1.00 0.00 H ATOM 772 HB3 LYS A 48 25.061 -7.787 8.274 1.00 0.00 H ATOM 773 HG2 LYS A 48 23.760 -8.954 10.148 1.00 0.00 H ATOM 774 HG3 LYS A 48 22.458 -7.782 9.839 1.00 0.00 H ATOM 775 HD2 LYS A 48 23.273 -8.665 7.281 1.00 0.00 H ATOM 776 HD3 LYS A 48 23.248 -10.135 8.282 1.00 0.00 H ATOM 777 HE2 LYS A 48 21.044 -10.165 7.622 1.00 0.00 H ATOM 778 HE3 LYS A 48 20.990 -8.409 7.346 1.00 0.00 H ATOM 779 HZ1 LYS A 48 20.790 -9.761 9.981 1.00 0.00 H ATOM 780 HZ2 LYS A 48 20.739 -8.084 9.717 1.00 0.00 H ATOM 781 HZ3 LYS A 48 19.506 -9.078 9.102 1.00 0.00 H ATOM 782 H LYS A 48 23.570 -5.067 10.080 1.00 0.00 H ATOM 783 N LYS A 49 26.674 -4.989 9.029 1.00 27.29 N ATOM 784 CA LYS A 49 27.914 -4.457 8.467 1.00 27.60 C ATOM 785 C LYS A 49 28.788 -3.729 9.507 1.00 27.19 C ATOM 786 O LYS A 49 29.807 -3.112 9.103 1.00 29.39 O ATOM 787 CB LYS A 49 27.600 -3.455 7.339 1.00 28.59 C ATOM 788 CG LYS A 49 27.169 -4.072 6.037 1.00 33.67 C ATOM 789 CD LYS A 49 28.406 -4.732 5.283 1.00 43.03 C ATOM 790 CE LYS A 49 27.970 -5.435 4.016 1.00 44.56 C ATOM 791 NZ LYS A 49 26.836 -4.572 3.536 1.00 47.21 N ATOM 792 HA LYS A 49 28.466 -5.320 8.095 1.00 0.00 H ATOM 793 HB2 LYS A 49 26.800 -2.799 7.683 1.00 0.00 H ATOM 794 HB3 LYS A 49 28.497 -2.865 7.152 1.00 0.00 H ATOM 795 HG2 LYS A 49 26.421 -4.840 6.236 1.00 0.00 H ATOM 796 HG3 LYS A 49 26.735 -3.300 5.402 1.00 0.00 H ATOM 797 HD2 LYS A 49 29.123 -3.952 5.027 1.00 0.00 H ATOM 798 HD3 LYS A 49 28.880 -5.456 5.945 1.00 0.00 H ATOM 799 HE2 LYS A 49 27.631 -6.450 4.225 1.00 0.00 H ATOM 800 HE3 LYS A 49 28.778 -5.466 3.285 1.00 0.00 H ATOM 801 HZ1 LYS A 49 26.090 -4.547 4.260 1.00 0.00 H ATOM 802 HZ2 LYS A 49 27.185 -3.608 3.363 1.00 0.00 H ATOM 803 HZ3 LYS A 49 26.451 -4.966 2.654 1.00 0.00 H ATOM 804 H LYS A 49 25.860 -4.344 9.077 1.00 0.00 H ATOM 805 N GLY A 50 28.376 -3.770 10.789 1.00 25.11 N ATOM 806 CA GLY A 50 29.131 -3.197 11.899 1.00 24.25 C ATOM 807 C GLY A 50 28.915 -1.702 12.071 1.00 24.23 C ATOM 808 O GLY A 50 29.772 -1.028 12.649 1.00 25.56 O ATOM 809 HA3 GLY A 50 30.192 -3.375 11.723 1.00 0.00 H ATOM 810 HA2 GLY A 50 28.827 -3.698 12.818 1.00 0.00 H ATOM 811 H GLY A 50 27.470 -4.236 10.999 1.00 0.00 H ATOM 812 N THR A 51 27.759 -1.193 11.621 1.00 20.83 N ATOM 813 CA THR A 51 27.415 0.250 11.738 1.00 18.50 C ATOM 814 C THR A 51 26.182 0.390 12.581 1.00 18.05 C ATOM 815 O THR A 51 25.133 -0.214 12.281 1.00 18.46 O ATOM 816 CB THR A 51 27.175 0.880 10.335 1.00 20.42 C ATOM 817 OG1 THR A 51 28.411 0.893 9.575 1.00 21.98 O ATOM 818 CG2 THR A 51 26.540 2.342 10.402 1.00 19.43 C ATOM 819 HA THR A 51 28.247 0.777 12.205 1.00 0.00 H ATOM 820 HB THR A 51 26.442 0.252 9.829 1.00 0.00 H ATOM 821 HG1 THR A 51 28.246 1.295 8.686 1.00 0.00 H ATOM 822 HG23 THR A 51 25.614 2.309 10.976 1.00 0.00 H ATOM 823 HG21 THR A 51 27.244 3.021 10.884 1.00 0.00 H ATOM 824 HG22 THR A 51 26.330 2.692 9.391 1.00 0.00 H ATOM 825 H THR A 51 27.074 -1.834 11.171 1.00 0.00 H ATOM 826 N ASN A 52 26.264 1.153 13.655 1.00 16.28 N ATOM 827 CA ASN A 52 25.115 1.416 14.503 1.00 15.98 C ATOM 828 C ASN A 52 24.636 2.770 14.057 1.00 16.18 C ATOM 829 O ASN A 52 25.131 3.806 14.494 1.00 15.69 O ATOM 830 CB ASN A 52 25.431 1.478 15.977 1.00 20.58 C ATOM 831 CG ASN A 52 24.202 1.648 16.832 1.00 23.38 C ATOM 832 OD1 ASN A 52 24.205 1.100 17.985 1.00 33.53 O ATOM 833 ND2 ASN A 52 23.078 2.354 16.336 1.00 24.04 N ATOM 834 HA ASN A 52 24.390 0.608 14.401 1.00 0.00 H ATOM 835 HB2 ASN A 52 25.931 0.553 16.265 1.00 0.00 H ATOM 836 HB3 ASN A 52 26.099 2.321 16.155 1.00 0.00 H ATOM 837 HD22 ASN A 52 23.112 2.788 15.391 1.00 0.00 H ATOM 838 HD21 ASN A 52 22.219 2.438 16.917 1.00 0.00 H ATOM 839 H ASN A 52 27.180 1.579 13.902 1.00 0.00 H ATOM 840 N TYR A 53 23.676 2.764 13.115 1.00 13.16 N ATOM 841 CA TYR A 53 23.277 4.062 12.569 1.00 12.23 C ATOM 842 C TYR A 53 22.674 5.055 13.562 1.00 11.16 C ATOM 843 O TYR A 53 22.712 6.281 13.261 1.00 13.17 O ATOM 844 CB TYR A 53 22.163 3.711 11.481 1.00 12.76 C ATOM 845 CG TYR A 53 21.926 4.720 10.403 1.00 13.27 C ATOM 846 CD1 TYR A 53 22.681 4.660 9.227 1.00 12.38 C ATOM 847 CD2 TYR A 53 20.842 5.680 10.519 1.00 15.00 C ATOM 848 CE1 TYR A 53 22.433 5.573 8.182 1.00 14.77 C ATOM 849 CE2 TYR A 53 20.599 6.594 9.468 1.00 12.23 C ATOM 850 CZ TYR A 53 21.382 6.538 8.320 1.00 14.30 C ATOM 851 OH TYR A 53 21.213 7.437 7.241 1.00 18.46 O ATOM 852 HA TYR A 53 24.172 4.561 12.197 1.00 0.00 H ATOM 853 HB3 TYR A 53 21.221 3.566 12.009 1.00 0.00 H ATOM 854 HB2 TYR A 53 22.455 2.778 11.000 1.00 0.00 H ATOM 855 HD2 TYR A 53 20.218 5.696 11.413 1.00 0.00 H ATOM 856 HE2 TYR A 53 19.805 7.336 9.557 1.00 0.00 H ATOM 857 HE1 TYR A 53 23.037 5.545 7.275 1.00 0.00 H ATOM 858 HD1 TYR A 53 23.461 3.907 9.119 1.00 0.00 H ATOM 859 HH TYR A 53 21.868 7.224 6.530 1.00 0.00 H ATOM 860 H TYR A 53 23.238 1.879 12.790 1.00 0.00 H ATOM 861 N LEU A 54 22.075 4.585 14.690 1.00 9.81 N ATOM 862 CA LEU A 54 21.417 5.478 15.624 1.00 10.22 C ATOM 863 C LEU A 54 22.477 6.173 16.515 1.00 9.74 C ATOM 864 O LEU A 54 22.134 7.069 17.231 1.00 13.51 O ATOM 865 CB LEU A 54 20.427 4.712 16.455 1.00 12.13 C ATOM 866 CG LEU A 54 19.346 3.987 15.642 1.00 16.22 C ATOM 867 CD1 LEU A 54 18.239 3.467 16.586 1.00 18.43 C ATOM 868 CD2 LEU A 54 18.708 4.902 14.601 1.00 18.91 C ATOM 869 HA LEU A 54 20.873 6.247 15.075 1.00 0.00 H ATOM 870 HB2 LEU A 54 20.972 3.969 17.037 1.00 0.00 H ATOM 871 HB3 LEU A 54 19.935 5.411 17.131 1.00 0.00 H ATOM 872 HG LEU A 54 19.831 3.158 15.126 1.00 0.00 H ATOM 873 HD21 LEU A 54 18.246 5.753 15.101 1.00 0.00 H ATOM 874 HD22 LEU A 54 19.475 5.256 13.912 1.00 0.00 H ATOM 875 HD23 LEU A 54 17.949 4.348 14.049 1.00 0.00 H ATOM 876 HD11 LEU A 54 18.674 2.774 17.306 1.00 0.00 H ATOM 877 HD12 LEU A 54 17.789 4.308 17.114 1.00 0.00 H ATOM 878 HD13 LEU A 54 17.476 2.954 16.001 1.00 0.00 H ATOM 879 H LEU A 54 22.089 3.564 14.886 1.00 0.00 H ATOM 880 N ALA A 55 23.699 5.669 16.510 1.00 10.86 N ATOM 881 CA ALA A 55 24.687 6.332 17.437 1.00 10.47 C ATOM 882 C ALA A 55 24.860 7.808 17.048 1.00 10.09 C ATOM 883 O ALA A 55 25.015 8.698 17.953 1.00 12.46 O ATOM 884 CB ALA A 55 26.030 5.575 17.375 1.00 9.01 C ATOM 885 HA ALA A 55 24.317 6.297 18.462 1.00 0.00 H ATOM 886 HB1 ALA A 55 25.877 4.541 17.683 1.00 0.00 H ATOM 887 HB2 ALA A 55 26.413 5.599 16.355 1.00 0.00 H ATOM 888 HB3 ALA A 55 26.746 6.052 18.044 1.00 0.00 H ATOM 889 H ALA A 55 23.963 4.865 15.905 1.00 0.00 H ATOM 890 N ASP A 56 24.966 8.074 15.725 1.00 9.84 N ATOM 891 CA ASP A 56 25.258 9.434 15.260 1.00 8.63 C ATOM 892 C ASP A 56 24.235 10.155 14.409 1.00 8.31 C ATOM 893 O ASP A 56 24.470 11.338 14.075 1.00 9.37 O ATOM 894 CB ASP A 56 26.591 9.452 14.474 1.00 9.16 C ATOM 895 CG ASP A 56 26.515 8.655 13.163 1.00 14.07 C ATOM 896 OD1 ASP A 56 25.642 7.738 13.082 1.00 12.38 O ATOM 897 OD2 ASP A 56 27.368 8.901 12.277 1.00 13.28 O ATOM 898 HA ASP A 56 25.275 9.983 16.201 1.00 0.00 H ATOM 899 HB2 ASP A 56 26.845 10.486 14.240 1.00 0.00 H ATOM 900 HB3 ASP A 56 27.372 9.020 15.100 1.00 0.00 H ATOM 901 H ASP A 56 24.839 7.308 15.033 1.00 0.00 H ATOM 902 N VAL A 57 23.111 9.452 14.158 1.00 8.37 N ATOM 903 CA VAL A 57 22.181 10.103 13.175 1.00 8.00 C ATOM 904 C VAL A 57 21.701 11.444 13.619 1.00 7.30 C ATOM 905 O VAL A 57 21.607 12.432 12.790 1.00 8.03 O ATOM 906 CB VAL A 57 21.047 9.089 12.808 1.00 7.64 C ATOM 907 CG1 VAL A 57 20.195 8.797 14.020 1.00 9.18 C ATOM 908 CG2 VAL A 57 20.125 9.708 11.682 1.00 9.69 C ATOM 909 HA VAL A 57 22.726 10.336 12.260 1.00 0.00 H ATOM 910 HB VAL A 57 21.508 8.167 12.454 1.00 0.00 H ATOM 911 HG11 VAL A 57 20.817 8.368 14.805 1.00 0.00 H ATOM 912 HG12 VAL A 57 19.744 9.723 14.377 1.00 0.00 H ATOM 913 HG13 VAL A 57 19.411 8.090 13.749 1.00 0.00 H ATOM 914 HG21 VAL A 57 19.680 10.634 12.047 1.00 0.00 H ATOM 915 HG22 VAL A 57 20.725 9.917 10.797 1.00 0.00 H ATOM 916 HG23 VAL A 57 19.337 8.999 11.429 1.00 0.00 H ATOM 917 H VAL A 57 22.906 8.537 14.607 1.00 0.00 H ATOM 918 N PHE A 58 21.373 11.603 14.925 1.00 8.18 N ATOM 919 CA PHE A 58 20.855 12.890 15.345 1.00 8.85 C ATOM 920 C PHE A 58 21.901 14.031 15.193 1.00 7.86 C ATOM 921 O PHE A 58 21.588 15.129 14.690 1.00 9.69 O ATOM 922 CB PHE A 58 20.392 12.768 16.821 1.00 7.94 C ATOM 923 CG PHE A 58 19.663 13.997 17.285 1.00 10.13 C ATOM 924 CD1 PHE A 58 18.304 14.117 17.090 1.00 10.14 C ATOM 925 CD2 PHE A 58 20.370 15.068 17.872 1.00 10.02 C ATOM 926 CE1 PHE A 58 17.571 15.240 17.478 1.00 10.79 C ATOM 927 CE2 PHE A 58 19.677 16.313 18.241 1.00 13.07 C ATOM 928 CZ PHE A 58 18.220 16.387 18.042 1.00 13.56 C ATOM 929 HA PHE A 58 20.018 13.157 14.700 1.00 0.00 H ATOM 930 HB2 PHE A 58 19.727 11.909 16.912 1.00 0.00 H ATOM 931 HB3 PHE A 58 21.267 12.618 17.453 1.00 0.00 H ATOM 932 HD2 PHE A 58 21.440 14.972 18.054 1.00 0.00 H ATOM 933 HE2 PHE A 58 20.229 17.159 18.651 1.00 0.00 H ATOM 934 HZ PHE A 58 17.656 17.280 18.313 1.00 0.00 H ATOM 935 HE1 PHE A 58 16.489 15.245 17.350 1.00 0.00 H ATOM 936 HD1 PHE A 58 17.775 13.294 16.609 1.00 0.00 H ATOM 937 H PHE A 58 21.490 10.825 15.605 1.00 0.00 H ATOM 938 N GLU A 59 23.159 13.727 15.557 1.00 10.09 N ATOM 939 CA GLU A 59 24.166 14.742 15.437 1.00 8.32 C ATOM 940 C GLU A 59 24.589 15.085 13.993 1.00 8.82 C ATOM 941 O GLU A 59 24.864 16.247 13.670 1.00 9.67 O ATOM 942 CB GLU A 59 25.406 14.278 16.201 1.00 9.47 C ATOM 943 CG GLU A 59 25.124 14.306 17.761 1.00 10.81 C ATOM 944 CD GLU A 59 24.189 13.251 18.263 1.00 9.08 C ATOM 945 OE1 GLU A 59 24.269 12.049 17.736 1.00 10.33 O ATOM 946 OE2 GLU A 59 23.393 13.592 19.231 1.00 12.58 O ATOM 947 HA GLU A 59 23.724 15.652 15.843 1.00 0.00 H ATOM 948 HB2 GLU A 59 25.658 13.262 15.898 1.00 0.00 H ATOM 949 HB3 GLU A 59 26.240 14.941 15.973 1.00 0.00 H ATOM 950 HG2 GLU A 59 26.076 14.185 18.277 1.00 0.00 H ATOM 951 HG3 GLU A 59 24.699 15.278 18.009 1.00 0.00 H ATOM 952 H GLU A 59 23.396 12.780 15.916 1.00 0.00 H ATOM 953 N LYS A 60 24.508 14.069 13.152 1.00 8.44 N ATOM 954 CA LYS A 60 24.701 14.317 11.769 1.00 8.69 C ATOM 955 C LYS A 60 23.614 15.177 11.089 1.00 8.09 C ATOM 956 O LYS A 60 23.939 15.935 10.112 1.00 10.26 O ATOM 957 CB LYS A 60 24.864 13.002 11.011 1.00 9.81 C ATOM 958 CG LYS A 60 26.156 12.158 11.406 1.00 9.40 C ATOM 959 CD LYS A 60 27.440 12.951 11.014 1.00 11.26 C ATOM 960 CE LYS A 60 28.633 11.970 10.839 1.00 10.91 C ATOM 961 NZ LYS A 60 28.859 11.075 11.975 1.00 11.00 N ATOM 962 HA LYS A 60 25.613 14.913 11.722 1.00 0.00 H ATOM 963 HB2 LYS A 60 23.985 12.387 11.205 1.00 0.00 H ATOM 964 HB3 LYS A 60 24.919 13.229 9.946 1.00 0.00 H ATOM 965 HG2 LYS A 60 26.156 11.976 12.481 1.00 0.00 H ATOM 966 HG3 LYS A 60 26.143 11.205 10.877 1.00 0.00 H ATOM 967 HD2 LYS A 60 27.266 13.481 10.077 1.00 0.00 H ATOM 968 HD3 LYS A 60 27.675 13.670 11.799 1.00 0.00 H ATOM 969 HE2 LYS A 60 29.537 12.559 10.685 1.00 0.00 H ATOM 970 HE3 LYS A 60 28.444 11.359 9.957 1.00 0.00 H ATOM 971 HZ1 LYS A 60 29.055 11.640 12.826 1.00 0.00 H ATOM 972 HZ2 LYS A 60 28.011 10.494 12.131 1.00 0.00 H ATOM 973 HZ3 LYS A 60 29.671 10.458 11.772 1.00 0.00 H ATOM 974 H LYS A 60 24.307 13.109 13.497 1.00 0.00 H ATOM 975 N LYS A 61 22.356 14.942 11.519 1.00 8.22 N ATOM 976 CA LYS A 61 21.268 15.544 10.739 1.00 9.04 C ATOM 977 C LYS A 61 20.740 16.835 11.359 1.00 7.82 C ATOM 978 O LYS A 61 19.979 17.568 10.714 1.00 9.82 O ATOM 979 CB LYS A 61 20.116 14.591 10.598 1.00 8.63 C ATOM 980 CG LYS A 61 20.615 13.344 9.763 1.00 10.59 C ATOM 981 CD LYS A 61 21.482 13.642 8.468 1.00 13.52 C ATOM 982 CE LYS A 61 20.611 14.384 7.494 1.00 13.02 C ATOM 983 NZ LYS A 61 21.695 14.409 6.296 1.00 14.35 N ATOM 984 HA LYS A 61 21.698 15.774 9.764 1.00 0.00 H ATOM 985 HB2 LYS A 61 19.780 14.267 11.583 1.00 0.00 H ATOM 986 HB3 LYS A 61 19.292 15.080 10.078 1.00 0.00 H ATOM 987 HG2 LYS A 61 21.218 12.724 10.427 1.00 0.00 H ATOM 988 HG3 LYS A 61 19.734 12.786 9.447 1.00 0.00 H ATOM 989 HD2 LYS A 61 22.346 14.251 8.732 1.00 0.00 H ATOM 990 HD3 LYS A 61 21.821 12.706 8.025 1.00 0.00 H ATOM 991 HE2 LYS A 61 20.342 15.381 7.842 1.00 0.00 H ATOM 992 HE3 LYS A 61 19.706 13.835 7.234 1.00 0.00 H ATOM 993 HZ1 LYS A 61 22.549 14.910 6.614 1.00 0.00 H ATOM 994 HZ2 LYS A 61 21.941 13.434 6.033 1.00 0.00 H ATOM 995 HZ3 LYS A 61 21.290 14.900 5.473 1.00 0.00 H ATOM 996 H LYS A 61 22.167 14.363 12.362 1.00 0.00 H ATOM 997 N ASP A 62 21.089 17.064 12.646 1.00 9.22 N ATOM 998 CA ASP A 62 20.733 18.335 13.285 1.00 9.96 C ATOM 999 C ASP A 62 21.645 19.463 12.830 1.00 11.09 C ATOM 1000 O ASP A 62 22.591 19.866 13.528 1.00 9.69 O ATOM 1001 CB ASP A 62 20.666 18.200 14.825 1.00 9.61 C ATOM 1002 CG ASP A 62 20.306 19.535 15.510 1.00 11.34 C ATOM 1003 OD1 ASP A 62 19.711 20.470 14.877 1.00 9.16 O ATOM 1004 OD2 ASP A 62 20.792 19.584 16.685 1.00 10.25 O ATOM 1005 HA ASP A 62 19.728 18.602 12.958 1.00 0.00 H ATOM 1006 HB2 ASP A 62 19.909 17.458 15.080 1.00 0.00 H ATOM 1007 HB3 ASP A 62 21.637 17.867 15.191 1.00 0.00 H ATOM 1008 H ASP A 62 21.609 16.340 13.181 1.00 0.00 H ATOM 1009 N LYS A 63 21.425 19.948 11.619 1.00 8.47 N ATOM 1010 CA LYS A 63 22.415 20.786 10.883 1.00 12.35 C ATOM 1011 C LYS A 63 22.604 22.108 11.628 1.00 11.92 C ATOM 1012 O LYS A 63 23.745 22.592 11.748 1.00 14.07 O ATOM 1013 CB LYS A 63 21.897 20.985 9.470 1.00 13.37 C ATOM 1014 CG LYS A 63 22.815 21.823 8.600 1.00 18.74 C ATOM 1015 CD LYS A 63 22.175 21.838 7.201 1.00 22.33 C ATOM 1016 CE LYS A 63 22.709 22.966 6.287 1.00 29.88 C ATOM 1017 NZ LYS A 63 24.035 22.502 5.838 1.00 39.03 N ATOM 1018 HA LYS A 63 23.392 20.305 10.828 1.00 0.00 H ATOM 1019 HB2 LYS A 63 21.779 20.006 9.005 1.00 0.00 H ATOM 1020 HB3 LYS A 63 20.927 21.479 9.524 1.00 0.00 H ATOM 1021 HG2 LYS A 63 22.890 22.837 8.994 1.00 0.00 H ATOM 1022 HG3 LYS A 63 23.809 21.377 8.558 1.00 0.00 H ATOM 1023 HD2 LYS A 63 22.375 20.881 6.720 1.00 0.00 H ATOM 1024 HD3 LYS A 63 21.099 21.968 7.316 1.00 0.00 H ATOM 1025 HE2 LYS A 63 22.798 23.899 6.843 1.00 0.00 H ATOM 1026 HE3 LYS A 63 22.046 23.114 5.434 1.00 0.00 H ATOM 1027 HZ1 LYS A 63 24.648 22.356 6.665 1.00 0.00 H ATOM 1028 HZ2 LYS A 63 23.930 21.606 5.320 1.00 0.00 H ATOM 1029 HZ3 LYS A 63 24.458 23.218 5.213 1.00 0.00 H ATOM 1030 H LYS A 63 20.518 19.735 11.158 1.00 0.00 H ATOM 1031 N ASN A 64 21.490 22.678 12.163 1.00 10.78 N ATOM 1032 CA ASN A 64 21.588 24.016 12.763 1.00 10.56 C ATOM 1033 C ASN A 64 21.864 23.909 14.294 1.00 10.70 C ATOM 1034 O ASN A 64 21.931 24.983 15.030 1.00 13.35 O ATOM 1035 CB ASN A 64 20.336 24.896 12.479 1.00 11.41 C ATOM 1036 CG ASN A 64 19.095 24.370 13.156 1.00 12.28 C ATOM 1037 OD1 ASN A 64 19.057 23.255 13.676 1.00 10.16 O ATOM 1038 ND2 ASN A 64 18.015 25.215 13.170 1.00 19.50 N ATOM 1039 HA ASN A 64 22.431 24.518 12.288 1.00 0.00 H ATOM 1040 HB2 ASN A 64 20.530 25.906 12.839 1.00 0.00 H ATOM 1041 HB3 ASN A 64 20.163 24.922 11.403 1.00 0.00 H ATOM 1042 HD22 ASN A 64 18.081 26.151 12.721 1.00 0.00 H ATOM 1043 HD21 ASN A 64 17.130 24.920 13.630 1.00 0.00 H ATOM 1044 H ASN A 64 20.581 22.173 12.147 1.00 0.00 H ATOM 1045 N GLU A 65 22.055 22.698 14.795 1.00 9.77 N ATOM 1046 CA GLU A 65 22.449 22.432 16.229 1.00 10.85 C ATOM 1047 C GLU A 65 21.511 23.057 17.253 1.00 12.65 C ATOM 1048 O GLU A 65 21.957 23.544 18.334 1.00 14.17 O ATOM 1049 CB GLU A 65 23.903 22.884 16.440 1.00 11.57 C ATOM 1050 CG GLU A 65 24.838 22.162 15.438 1.00 10.43 C ATOM 1051 CD GLU A 65 26.350 22.359 15.575 1.00 12.82 C ATOM 1052 OE1 GLU A 65 26.715 23.207 16.477 1.00 13.93 O ATOM 1053 OE2 GLU A 65 27.139 21.763 14.774 1.00 14.37 O ATOM 1054 HA GLU A 65 22.365 21.359 16.399 1.00 0.00 H ATOM 1055 HB2 GLU A 65 23.972 23.961 16.285 1.00 0.00 H ATOM 1056 HB3 GLU A 65 24.211 22.644 17.458 1.00 0.00 H ATOM 1057 HG2 GLU A 65 24.643 21.093 15.529 1.00 0.00 H ATOM 1058 HG3 GLU A 65 24.559 22.497 14.439 1.00 0.00 H ATOM 1059 H GLU A 65 21.926 21.882 14.164 1.00 0.00 H ATOM 1060 N ASP A 66 20.222 23.085 16.946 1.00 10.12 N ATOM 1061 CA ASP A 66 19.240 23.520 17.923 1.00 13.77 C ATOM 1062 C ASP A 66 18.681 22.366 18.739 1.00 11.63 C ATOM 1063 O ASP A 66 17.721 22.527 19.512 1.00 13.42 O ATOM 1064 CB ASP A 66 18.129 24.355 17.223 1.00 12.92 C ATOM 1065 CG ASP A 66 17.241 23.561 16.243 1.00 12.17 C ATOM 1066 OD1 ASP A 66 17.475 22.337 16.092 1.00 10.58 O ATOM 1067 OD2 ASP A 66 16.262 24.217 15.682 1.00 14.89 O ATOM 1068 HA ASP A 66 19.740 24.164 18.646 1.00 0.00 H ATOM 1069 HB2 ASP A 66 17.487 24.779 17.995 1.00 0.00 H ATOM 1070 HB3 ASP A 66 18.609 25.161 16.668 1.00 0.00 H ATOM 1071 H ASP A 66 19.911 22.793 15.997 1.00 0.00 H ATOM 1072 N LYS A 67 19.242 21.144 18.536 1.00 12.64 N ATOM 1073 CA LYS A 67 18.850 19.916 19.283 1.00 12.98 C ATOM 1074 C LYS A 67 17.395 19.455 18.994 1.00 12.25 C ATOM 1075 O LYS A 67 16.688 18.822 19.860 1.00 13.89 O ATOM 1076 CB LYS A 67 19.082 20.147 20.837 1.00 12.82 C ATOM 1077 CG LYS A 67 20.568 20.457 21.076 1.00 15.56 C ATOM 1078 CD LYS A 67 21.448 19.270 20.666 1.00 22.40 C ATOM 1079 CE LYS A 67 22.876 19.573 20.911 1.00 22.91 C ATOM 1080 NZ LYS A 67 23.668 18.526 20.201 1.00 16.53 N ATOM 1081 HA LYS A 67 19.487 19.104 18.932 1.00 0.00 H ATOM 1082 HB2 LYS A 67 18.473 20.985 21.178 1.00 0.00 H ATOM 1083 HB3 LYS A 67 18.802 19.249 21.387 1.00 0.00 H ATOM 1084 HG2 LYS A 67 20.850 21.330 20.488 1.00 0.00 H ATOM 1085 HG3 LYS A 67 20.723 20.668 22.134 1.00 0.00 H ATOM 1086 HD2 LYS A 67 21.162 18.394 21.248 1.00 0.00 H ATOM 1087 HD3 LYS A 67 21.302 19.064 19.606 1.00 0.00 H ATOM 1088 HE2 LYS A 67 23.088 19.544 21.980 1.00 0.00 H ATOM 1089 HE3 LYS A 67 23.123 20.560 20.520 1.00 0.00 H ATOM 1090 HZ1 LYS A 67 23.419 17.589 20.578 1.00 0.00 H ATOM 1091 HZ2 LYS A 67 23.452 18.560 19.184 1.00 0.00 H ATOM 1092 HZ3 LYS A 67 24.683 18.702 20.347 1.00 0.00 H ATOM 1093 H LYS A 67 19.989 21.062 17.817 1.00 0.00 H ATOM 1094 N LYS A 68 16.929 19.769 17.776 1.00 11.77 N ATOM 1095 CA LYS A 68 15.623 19.269 17.303 1.00 12.10 C ATOM 1096 C LYS A 68 15.827 18.966 15.809 1.00 10.79 C ATOM 1097 O LYS A 68 16.737 19.496 15.204 1.00 13.05 O ATOM 1098 CB LYS A 68 14.530 20.361 17.386 1.00 15.01 C ATOM 1099 CG LYS A 68 14.323 20.920 18.816 1.00 18.21 C ATOM 1100 CD LYS A 68 13.747 19.825 19.663 1.00 27.77 C ATOM 1101 CE LYS A 68 12.901 20.512 20.804 1.00 34.94 C ATOM 1102 NZ LYS A 68 12.546 19.492 21.777 1.00 30.51 N ATOM 1103 HA LYS A 68 15.310 18.416 17.905 1.00 0.00 H ATOM 1104 HB2 LYS A 68 14.814 21.185 16.731 1.00 0.00 H ATOM 1105 HB3 LYS A 68 13.588 19.934 17.042 1.00 0.00 H ATOM 1106 HG2 LYS A 68 15.278 21.244 19.229 1.00 0.00 H ATOM 1107 HG3 LYS A 68 13.636 21.766 18.787 1.00 0.00 H ATOM 1108 HD2 LYS A 68 13.107 19.183 19.058 1.00 0.00 H ATOM 1109 HD3 LYS A 68 14.549 19.229 20.100 1.00 0.00 H ATOM 1110 HE2 LYS A 68 11.997 20.951 20.381 1.00 0.00 H ATOM 1111 HE3 LYS A 68 13.492 21.292 21.284 1.00 0.00 H ATOM 1112 HZ1 LYS A 68 11.986 18.750 21.311 1.00 0.00 H ATOM 1113 HZ2 LYS A 68 13.413 19.076 22.173 1.00 0.00 H ATOM 1114 HZ3 LYS A 68 11.986 19.923 22.541 1.00 0.00 H ATOM 1115 H LYS A 68 17.499 20.376 17.153 1.00 0.00 H ATOM 1116 N ILE A 69 15.055 18.001 15.292 1.00 10.17 N ATOM 1117 CA ILE A 69 15.086 17.763 13.825 1.00 9.81 C ATOM 1118 C ILE A 69 13.794 18.400 13.246 1.00 8.92 C ATOM 1119 O ILE A 69 12.651 17.963 13.549 1.00 10.68 O ATOM 1120 CB ILE A 69 15.097 16.253 13.618 1.00 7.79 C ATOM 1121 CG1 ILE A 69 16.430 15.622 14.119 1.00 13.09 C ATOM 1122 CG2 ILE A 69 14.917 15.899 12.075 1.00 10.26 C ATOM 1123 CD1 ILE A 69 17.728 16.183 13.454 1.00 13.02 C ATOM 1124 HA ILE A 69 15.957 18.196 13.333 1.00 0.00 H ATOM 1125 HB ILE A 69 14.267 15.843 14.194 1.00 0.00 H ATOM 1126 HG12 ILE A 69 16.501 15.793 15.193 1.00 0.00 H ATOM 1127 HG13 ILE A 69 16.389 14.550 13.925 1.00 0.00 H ATOM 1128 HD11 ILE A 69 17.688 16.009 12.379 1.00 0.00 H ATOM 1129 HD12 ILE A 69 17.800 17.253 13.648 1.00 0.00 H ATOM 1130 HD13 ILE A 69 18.598 15.677 13.873 1.00 0.00 H ATOM 1131 HG21 ILE A 69 13.967 16.298 11.720 1.00 0.00 H ATOM 1132 HG22 ILE A 69 15.734 16.341 11.504 1.00 0.00 H ATOM 1133 HG23 ILE A 69 14.928 14.816 11.948 1.00 0.00 H ATOM 1134 H ILE A 69 14.444 17.427 15.907 1.00 0.00 H ATOM 1135 N ASP A 70 13.932 19.427 12.400 1.00 8.41 N ATOM 1136 CA ASP A 70 12.773 20.046 11.783 1.00 8.64 C ATOM 1137 C ASP A 70 12.542 19.337 10.445 1.00 9.90 C ATOM 1138 O ASP A 70 13.232 18.338 10.095 1.00 9.40 O ATOM 1139 CB ASP A 70 12.982 21.569 11.618 1.00 8.82 C ATOM 1140 CG ASP A 70 14.220 21.923 10.735 1.00 14.50 C ATOM 1141 OD1 ASP A 70 14.501 21.217 9.757 1.00 11.29 O ATOM 1142 OD2 ASP A 70 14.857 22.985 10.986 1.00 16.04 O ATOM 1143 HA ASP A 70 11.888 19.938 12.410 1.00 0.00 H ATOM 1144 HB2 ASP A 70 12.092 21.994 11.155 1.00 0.00 H ATOM 1145 HB3 ASP A 70 13.122 22.010 12.605 1.00 0.00 H ATOM 1146 H ASP A 70 14.883 19.787 12.181 1.00 0.00 H ATOM 1147 N PHE A 71 11.450 19.766 9.801 1.00 10.14 N ATOM 1148 CA PHE A 71 11.035 19.014 8.592 1.00 8.97 C ATOM 1149 C PHE A 71 12.125 18.966 7.518 1.00 8.23 C ATOM 1150 O PHE A 71 12.294 17.901 6.904 1.00 7.92 O ATOM 1151 CB PHE A 71 9.736 19.659 8.039 1.00 9.40 C ATOM 1152 CG PHE A 71 9.088 18.815 6.999 1.00 7.69 C ATOM 1153 CD1 PHE A 71 8.501 17.616 7.299 1.00 8.81 C ATOM 1154 CD2 PHE A 71 9.181 19.205 5.656 1.00 10.35 C ATOM 1155 CE1 PHE A 71 7.899 16.733 6.315 1.00 10.13 C ATOM 1156 CE2 PHE A 71 8.598 18.356 4.641 1.00 9.25 C ATOM 1157 CZ PHE A 71 7.971 17.125 4.969 1.00 10.10 C ATOM 1158 HA PHE A 71 10.855 17.977 8.874 1.00 0.00 H ATOM 1159 HB2 PHE A 71 9.036 19.801 8.862 1.00 0.00 H ATOM 1160 HB3 PHE A 71 9.983 20.627 7.603 1.00 0.00 H ATOM 1161 HD2 PHE A 71 9.684 20.132 5.381 1.00 0.00 H ATOM 1162 HE2 PHE A 71 8.641 18.669 3.598 1.00 0.00 H ATOM 1163 HZ PHE A 71 7.551 16.493 4.186 1.00 0.00 H ATOM 1164 HE1 PHE A 71 7.411 15.804 6.610 1.00 0.00 H ATOM 1165 HD1 PHE A 71 8.484 17.303 8.343 1.00 0.00 H ATOM 1166 H PHE A 71 10.914 20.593 10.135 1.00 0.00 H ATOM 1167 N SER A 72 12.795 20.074 7.352 1.00 9.17 N ATOM 1168 CA SER A 72 13.883 20.100 6.350 1.00 8.01 C ATOM 1169 C SER A 72 14.992 19.072 6.640 1.00 9.29 C ATOM 1170 O SER A 72 15.481 18.398 5.719 1.00 8.18 O ATOM 1171 CB SER A 72 14.395 21.504 6.152 1.00 8.77 C ATOM 1172 OG SER A 72 15.244 22.006 7.183 1.00 11.72 O ATOM 1173 HA SER A 72 13.462 19.781 5.397 1.00 0.00 H ATOM 1174 HB2 SER A 72 13.533 22.167 6.076 1.00 0.00 H ATOM 1175 HB3 SER A 72 14.954 21.528 5.217 1.00 0.00 H ATOM 1176 HG SER A 72 14.752 22.009 8.042 1.00 0.00 H ATOM 1177 H SER A 72 12.569 20.920 7.912 1.00 0.00 H ATOM 1178 N GLU A 73 15.338 18.975 7.917 1.00 8.11 N ATOM 1179 CA GLU A 73 16.379 18.017 8.384 1.00 7.64 C ATOM 1180 C GLU A 73 15.884 16.597 8.265 1.00 7.57 C ATOM 1181 O GLU A 73 16.623 15.690 7.869 1.00 8.72 O ATOM 1182 CB GLU A 73 16.758 18.399 9.824 1.00 7.76 C ATOM 1183 CG GLU A 73 17.517 19.717 9.884 1.00 9.08 C ATOM 1184 CD GLU A 73 17.709 20.239 11.302 1.00 8.97 C ATOM 1185 OE1 GLU A 73 16.918 19.816 12.199 1.00 10.17 O ATOM 1186 OE2 GLU A 73 18.607 21.088 11.554 1.00 10.78 O ATOM 1187 HA GLU A 73 17.272 18.074 7.761 1.00 0.00 H ATOM 1188 HB2 GLU A 73 15.847 18.490 10.415 1.00 0.00 H ATOM 1189 HB3 GLU A 73 17.385 17.612 10.244 1.00 0.00 H ATOM 1190 HG2 GLU A 73 18.499 19.572 9.433 1.00 0.00 H ATOM 1191 HG3 GLU A 73 16.963 20.462 9.313 1.00 0.00 H ATOM 1192 H GLU A 73 14.868 19.587 8.614 1.00 0.00 H ATOM 1193 N PHE A 74 14.607 16.380 8.575 1.00 6.99 N ATOM 1194 CA PHE A 74 13.984 15.048 8.377 1.00 7.16 C ATOM 1195 C PHE A 74 14.029 14.675 6.849 1.00 7.25 C ATOM 1196 O PHE A 74 14.323 13.532 6.541 1.00 7.34 O ATOM 1197 CB PHE A 74 12.537 15.206 8.888 1.00 8.79 C ATOM 1198 CG PHE A 74 11.629 14.016 8.518 1.00 7.34 C ATOM 1199 CD1 PHE A 74 11.741 12.779 9.181 1.00 11.81 C ATOM 1200 CD2 PHE A 74 10.668 14.153 7.527 1.00 9.69 C ATOM 1201 CE1 PHE A 74 10.851 11.653 8.864 1.00 11.50 C ATOM 1202 CE2 PHE A 74 9.759 13.106 7.226 1.00 10.23 C ATOM 1203 CZ PHE A 74 9.844 11.842 7.843 1.00 9.64 C ATOM 1204 HA PHE A 74 14.498 14.247 8.909 1.00 0.00 H ATOM 1205 HB2 PHE A 74 12.561 15.299 9.974 1.00 0.00 H ATOM 1206 HB3 PHE A 74 12.114 16.113 8.456 1.00 0.00 H ATOM 1207 HD2 PHE A 74 10.610 15.086 6.967 1.00 0.00 H ATOM 1208 HE2 PHE A 74 8.971 13.285 6.495 1.00 0.00 H ATOM 1209 HZ PHE A 74 9.172 11.032 7.560 1.00 0.00 H ATOM 1210 HE1 PHE A 74 10.947 10.700 9.385 1.00 0.00 H ATOM 1211 HD1 PHE A 74 12.506 12.653 9.947 1.00 0.00 H ATOM 1212 H PHE A 74 14.036 17.158 8.963 1.00 0.00 H ATOM 1213 N LEU A 75 13.729 15.640 5.969 1.00 8.45 N ATOM 1214 CA LEU A 75 13.794 15.320 4.534 1.00 7.70 C ATOM 1215 C LEU A 75 15.247 14.990 4.161 1.00 7.56 C ATOM 1216 O LEU A 75 15.439 13.982 3.395 1.00 8.93 O ATOM 1217 CB LEU A 75 13.299 16.463 3.676 1.00 7.52 C ATOM 1218 CG LEU A 75 11.832 16.788 3.687 1.00 8.93 C ATOM 1219 CD1 LEU A 75 11.560 17.986 2.668 1.00 10.52 C ATOM 1220 CD2 LEU A 75 11.019 15.584 3.239 1.00 13.31 C ATOM 1221 HA LEU A 75 13.145 14.464 4.348 1.00 0.00 H ATOM 1222 HB2 LEU A 75 13.829 17.359 3.997 1.00 0.00 H ATOM 1223 HB3 LEU A 75 13.569 16.232 2.646 1.00 0.00 H ATOM 1224 HG LEU A 75 11.540 17.066 4.700 1.00 0.00 H ATOM 1225 HD21 LEU A 75 11.314 15.304 2.228 1.00 0.00 H ATOM 1226 HD22 LEU A 75 11.204 14.750 3.916 1.00 0.00 H ATOM 1227 HD23 LEU A 75 9.959 15.837 3.253 1.00 0.00 H ATOM 1228 HD11 LEU A 75 12.134 18.860 2.975 1.00 0.00 H ATOM 1229 HD12 LEU A 75 11.864 17.685 1.665 1.00 0.00 H ATOM 1230 HD13 LEU A 75 10.497 18.228 2.670 1.00 0.00 H ATOM 1231 H LEU A 75 13.457 16.591 6.292 1.00 0.00 H ATOM 1232 N SER A 76 16.244 15.658 4.780 1.00 8.12 N ATOM 1233 CA SER A 76 17.614 15.270 4.456 1.00 7.84 C ATOM 1234 C SER A 76 17.968 13.845 4.927 1.00 7.57 C ATOM 1235 O SER A 76 18.666 13.068 4.219 1.00 8.80 O ATOM 1236 CB SER A 76 18.531 16.311 5.131 1.00 9.37 C ATOM 1237 OG SER A 76 19.896 16.061 4.683 1.00 12.26 O ATOM 1238 HA SER A 76 17.742 15.252 3.374 1.00 0.00 H ATOM 1239 HB2 SER A 76 18.472 16.210 6.215 1.00 0.00 H ATOM 1240 HB3 SER A 76 18.225 17.317 4.844 1.00 0.00 H ATOM 1241 HG SER A 76 19.941 16.151 3.698 1.00 0.00 H ATOM 1242 H SER A 76 16.044 16.419 5.460 1.00 0.00 H ATOM 1243 N LEU A 77 17.395 13.439 6.058 1.00 7.15 N ATOM 1244 CA LEU A 77 17.581 12.071 6.559 1.00 6.62 C ATOM 1245 C LEU A 77 16.913 11.086 5.567 1.00 7.31 C ATOM 1246 O LEU A 77 17.549 10.078 5.230 1.00 7.84 O ATOM 1247 CB LEU A 77 16.952 12.006 7.995 1.00 6.01 C ATOM 1248 CG LEU A 77 16.815 10.557 8.536 1.00 9.98 C ATOM 1249 CD1 LEU A 77 18.085 9.761 8.628 1.00 16.60 C ATOM 1250 CD2 LEU A 77 16.202 10.712 9.952 1.00 12.98 C ATOM 1251 HA LEU A 77 18.632 11.792 6.632 1.00 0.00 H ATOM 1252 HB2 LEU A 77 17.586 12.573 8.677 1.00 0.00 H ATOM 1253 HB3 LEU A 77 15.961 12.459 7.961 1.00 0.00 H ATOM 1254 HG LEU A 77 16.208 9.990 7.830 1.00 0.00 H ATOM 1255 HD21 LEU A 77 16.869 11.311 10.572 1.00 0.00 H ATOM 1256 HD22 LEU A 77 15.233 11.206 9.875 1.00 0.00 H ATOM 1257 HD23 LEU A 77 16.074 9.727 10.401 1.00 0.00 H ATOM 1258 HD11 LEU A 77 18.529 9.672 7.637 1.00 0.00 H ATOM 1259 HD12 LEU A 77 18.782 10.267 9.296 1.00 0.00 H ATOM 1260 HD13 LEU A 77 17.862 8.768 9.018 1.00 0.00 H ATOM 1261 H LEU A 77 16.804 14.104 6.597 1.00 0.00 H ATOM 1262 N LEU A 78 15.674 11.385 5.127 1.00 6.68 N ATOM 1263 CA LEU A 78 15.021 10.445 4.171 1.00 7.01 C ATOM 1264 C LEU A 78 15.874 10.395 2.872 1.00 7.47 C ATOM 1265 O LEU A 78 15.988 9.308 2.289 1.00 8.10 O ATOM 1266 CB LEU A 78 13.609 10.917 3.816 1.00 8.59 C ATOM 1267 CG LEU A 78 12.661 10.925 5.046 1.00 7.65 C ATOM 1268 CD1 LEU A 78 11.343 11.339 4.436 1.00 8.05 C ATOM 1269 CD2 LEU A 78 12.569 9.491 5.642 1.00 10.29 C ATOM 1270 HA LEU A 78 14.952 9.461 4.634 1.00 0.00 H ATOM 1271 HB2 LEU A 78 13.668 11.928 3.413 1.00 0.00 H ATOM 1272 HB3 LEU A 78 13.196 10.249 3.060 1.00 0.00 H ATOM 1273 HG LEU A 78 12.982 11.577 5.858 1.00 0.00 H ATOM 1274 HD21 LEU A 78 12.178 8.809 4.887 1.00 0.00 H ATOM 1275 HD22 LEU A 78 13.562 9.163 5.951 1.00 0.00 H ATOM 1276 HD23 LEU A 78 11.903 9.500 6.505 1.00 0.00 H ATOM 1277 HD11 LEU A 78 11.450 12.321 3.976 1.00 0.00 H ATOM 1278 HD12 LEU A 78 11.050 10.612 3.679 1.00 0.00 H ATOM 1279 HD13 LEU A 78 10.581 11.382 5.215 1.00 0.00 H ATOM 1280 H LEU A 78 15.187 12.247 5.445 1.00 0.00 H ATOM 1281 N GLY A 79 16.437 11.528 2.496 1.00 7.89 N ATOM 1282 CA GLY A 79 17.340 11.494 1.277 1.00 8.31 C ATOM 1283 C GLY A 79 18.557 10.611 1.453 1.00 9.39 C ATOM 1284 O GLY A 79 18.948 9.890 0.540 1.00 9.47 O ATOM 1285 HA3 GLY A 79 17.677 12.509 1.068 1.00 0.00 H ATOM 1286 HA2 GLY A 79 16.763 11.123 0.430 1.00 0.00 H ATOM 1287 H GLY A 79 16.268 12.412 3.017 1.00 0.00 H ATOM 1288 N ASP A 80 19.125 10.625 2.663 1.00 7.99 N ATOM 1289 CA ASP A 80 20.248 9.713 2.921 1.00 7.71 C ATOM 1290 C ASP A 80 19.850 8.226 2.816 1.00 7.65 C ATOM 1291 O ASP A 80 20.593 7.428 2.245 1.00 9.37 O ATOM 1292 CB ASP A 80 20.869 9.969 4.308 1.00 9.29 C ATOM 1293 CG ASP A 80 21.538 11.317 4.421 1.00 14.02 C ATOM 1294 OD1 ASP A 80 21.940 11.929 3.421 1.00 12.53 O ATOM 1295 OD2 ASP A 80 21.795 11.718 5.622 1.00 13.45 O ATOM 1296 HA ASP A 80 20.982 9.923 2.143 1.00 0.00 H ATOM 1297 HB2 ASP A 80 20.080 9.910 5.057 1.00 0.00 H ATOM 1298 HB3 ASP A 80 21.612 9.196 4.503 1.00 0.00 H ATOM 1299 H ASP A 80 18.780 11.267 3.405 1.00 0.00 H ATOM 1300 N ILE A 81 18.694 7.890 3.403 1.00 8.47 N ATOM 1301 CA ILE A 81 18.236 6.492 3.402 1.00 7.25 C ATOM 1302 C ILE A 81 17.923 6.160 1.945 1.00 8.15 C ATOM 1303 O ILE A 81 18.291 5.042 1.484 1.00 9.09 O ATOM 1304 CB ILE A 81 16.983 6.384 4.258 1.00 9.00 C ATOM 1305 CG1 ILE A 81 17.368 6.595 5.736 1.00 8.98 C ATOM 1306 CG2 ILE A 81 16.357 4.956 4.148 1.00 10.65 C ATOM 1307 CD1 ILE A 81 16.095 6.842 6.689 1.00 11.96 C ATOM 1308 HA ILE A 81 18.980 5.806 3.807 1.00 0.00 H ATOM 1309 HB ILE A 81 16.270 7.132 3.913 1.00 0.00 H ATOM 1310 HG12 ILE A 81 17.898 5.710 6.087 1.00 0.00 H ATOM 1311 HG13 ILE A 81 18.026 7.461 5.803 1.00 0.00 H ATOM 1312 HD11 ILE A 81 15.560 7.731 6.356 1.00 0.00 H ATOM 1313 HD12 ILE A 81 15.432 5.978 6.639 1.00 0.00 H ATOM 1314 HD13 ILE A 81 16.433 6.983 7.716 1.00 0.00 H ATOM 1315 HG21 ILE A 81 16.092 4.756 3.110 1.00 0.00 H ATOM 1316 HG22 ILE A 81 17.081 4.216 4.489 1.00 0.00 H ATOM 1317 HG23 ILE A 81 15.463 4.904 4.769 1.00 0.00 H ATOM 1318 H ILE A 81 18.116 8.622 3.863 1.00 0.00 H ATOM 1319 N ALA A 82 17.259 7.058 1.214 1.00 8.70 N ATOM 1320 CA ALA A 82 16.959 6.747 -0.200 1.00 8.60 C ATOM 1321 C ALA A 82 18.215 6.578 -0.998 1.00 8.33 C ATOM 1322 O ALA A 82 18.311 5.750 -1.904 1.00 9.09 O ATOM 1323 CB ALA A 82 16.160 7.952 -0.815 1.00 8.52 C ATOM 1324 HA ALA A 82 16.387 5.820 -0.234 1.00 0.00 H ATOM 1325 HB1 ALA A 82 15.233 8.093 -0.259 1.00 0.00 H ATOM 1326 HB2 ALA A 82 16.764 8.857 -0.752 1.00 0.00 H ATOM 1327 HB3 ALA A 82 15.930 7.739 -1.859 1.00 0.00 H ATOM 1328 H ALA A 82 16.958 7.961 1.632 1.00 0.00 H ATOM 1329 N THR A 83 19.234 7.412 -0.728 1.00 8.17 N ATOM 1330 CA THR A 83 20.505 7.325 -1.472 1.00 9.30 C ATOM 1331 C THR A 83 21.149 5.940 -1.232 1.00 8.72 C ATOM 1332 O THR A 83 21.641 5.319 -2.160 1.00 10.93 O ATOM 1333 CB THR A 83 21.396 8.502 -1.099 1.00 9.03 C ATOM 1334 OG1 THR A 83 20.786 9.697 -1.614 1.00 9.82 O ATOM 1335 CG2 THR A 83 22.768 8.400 -1.891 1.00 10.73 C ATOM 1336 HA THR A 83 20.338 7.401 -2.547 1.00 0.00 H ATOM 1337 HB THR A 83 21.539 8.508 -0.018 1.00 0.00 H ATOM 1338 HG1 THR A 83 19.887 9.806 -1.214 1.00 0.00 H ATOM 1339 HG23 THR A 83 23.309 7.512 -1.564 1.00 0.00 H ATOM 1340 HG21 THR A 83 22.565 8.331 -2.960 1.00 0.00 H ATOM 1341 HG22 THR A 83 23.368 9.287 -1.691 1.00 0.00 H ATOM 1342 H THR A 83 19.125 8.130 0.017 1.00 0.00 H ATOM 1343 N ASP A 84 21.104 5.434 0.000 1.00 9.84 N ATOM 1344 CA ASP A 84 21.611 4.110 0.296 1.00 12.43 C ATOM 1345 C ASP A 84 20.848 2.991 -0.528 1.00 10.36 C ATOM 1346 O ASP A 84 21.504 2.115 -1.144 1.00 12.68 O ATOM 1347 CB ASP A 84 21.535 3.721 1.752 1.00 12.63 C ATOM 1348 CG ASP A 84 22.431 2.508 1.962 1.00 22.92 C ATOM 1349 OD1 ASP A 84 23.674 2.791 1.893 1.00 28.43 O ATOM 1350 OD2 ASP A 84 21.946 1.365 2.019 1.00 21.76 O ATOM 1351 HA ASP A 84 22.661 4.169 0.009 1.00 0.00 H ATOM 1352 HB2 ASP A 84 21.878 4.547 2.374 1.00 0.00 H ATOM 1353 HB3 ASP A 84 20.507 3.472 2.016 1.00 0.00 H ATOM 1354 H ASP A 84 20.695 6.004 0.768 1.00 0.00 H ATOM 1355 N TYR A 85 19.549 3.091 -0.539 1.00 9.83 N ATOM 1356 CA TYR A 85 18.787 2.082 -1.320 1.00 10.14 C ATOM 1357 C TYR A 85 19.066 2.255 -2.791 1.00 11.05 C ATOM 1358 O TYR A 85 19.118 1.220 -3.506 1.00 11.29 O ATOM 1359 CB TYR A 85 17.295 2.245 -1.056 1.00 10.20 C ATOM 1360 CG TYR A 85 16.790 1.587 0.282 1.00 13.36 C ATOM 1361 CD1 TYR A 85 16.393 2.377 1.381 1.00 15.32 C ATOM 1362 CD2 TYR A 85 16.682 0.154 0.398 1.00 16.34 C ATOM 1363 CE1 TYR A 85 15.901 1.739 2.596 1.00 19.70 C ATOM 1364 CE2 TYR A 85 16.176 -0.432 1.557 1.00 19.09 C ATOM 1365 CZ TYR A 85 15.789 0.342 2.648 1.00 19.19 C ATOM 1366 OH TYR A 85 15.259 -0.283 3.766 1.00 20.55 O ATOM 1367 HA TYR A 85 19.099 1.084 -1.013 1.00 0.00 H ATOM 1368 HB3 TYR A 85 16.751 1.791 -1.885 1.00 0.00 H ATOM 1369 HB2 TYR A 85 17.071 3.311 -1.017 1.00 0.00 H ATOM 1370 HD2 TYR A 85 17.000 -0.479 -0.431 1.00 0.00 H ATOM 1371 HE2 TYR A 85 16.081 -1.517 1.610 1.00 0.00 H ATOM 1372 HE1 TYR A 85 15.622 2.344 3.459 1.00 0.00 H ATOM 1373 HD1 TYR A 85 16.454 3.464 1.322 1.00 0.00 H ATOM 1374 HH TYR A 85 14.440 -0.776 3.510 1.00 0.00 H ATOM 1375 H TYR A 85 19.063 3.850 -0.020 1.00 0.00 H ATOM 1376 N HIS A 86 19.259 3.484 -3.274 1.00 8.52 N ATOM 1377 CA HIS A 86 19.579 3.683 -4.689 1.00 10.30 C ATOM 1378 C HIS A 86 20.957 3.058 -4.989 1.00 11.31 C ATOM 1379 O HIS A 86 21.139 2.361 -6.009 1.00 11.97 O ATOM 1380 CB HIS A 86 19.567 5.193 -5.090 1.00 9.34 C ATOM 1381 CG HIS A 86 19.825 5.390 -6.579 1.00 9.62 C ATOM 1382 ND1 HIS A 86 20.780 6.259 -7.038 1.00 10.92 N ATOM 1383 CD2 HIS A 86 19.244 4.842 -7.685 1.00 12.79 C ATOM 1384 CE1 HIS A 86 20.822 6.226 -8.368 1.00 12.69 C ATOM 1385 NE2 HIS A 86 19.887 5.415 -8.780 1.00 7.57 N ATOM 1386 HA HIS A 86 18.809 3.192 -5.284 1.00 0.00 H ATOM 1387 HB2 HIS A 86 18.593 5.616 -4.842 1.00 0.00 H ATOM 1388 HB3 HIS A 86 20.341 5.713 -4.526 1.00 0.00 H ATOM 1389 HD2 HIS A 86 18.440 4.106 -7.707 1.00 0.00 H ATOM 1390 HE1 HIS A 86 21.516 6.779 -9.001 1.00 0.00 H ATOM 1391 H HIS A 86 19.182 4.306 -2.641 1.00 0.00 H ATOM 1392 N LYS A 87 21.920 3.267 -4.098 1.00 10.87 N ATOM 1393 CA LYS A 87 23.272 2.677 -4.410 1.00 12.36 C ATOM 1394 C LYS A 87 23.172 1.125 -4.389 1.00 13.55 C ATOM 1395 O LYS A 87 23.791 0.427 -5.218 1.00 16.32 O ATOM 1396 CB LYS A 87 24.272 3.190 -3.354 1.00 11.79 C ATOM 1397 CG LYS A 87 24.652 4.580 -3.558 1.00 16.41 C ATOM 1398 CD LYS A 87 25.653 4.935 -2.421 1.00 25.76 C ATOM 1399 CE LYS A 87 25.802 6.404 -2.272 1.00 35.07 C ATOM 1400 NZ LYS A 87 26.815 6.717 -1.167 1.00 41.93 N ATOM 1401 HA LYS A 87 23.614 2.977 -5.401 1.00 0.00 H ATOM 1402 HB2 LYS A 87 23.816 3.095 -2.369 1.00 0.00 H ATOM 1403 HB3 LYS A 87 25.170 2.574 -3.398 1.00 0.00 H ATOM 1404 HG2 LYS A 87 25.128 4.702 -4.531 1.00 0.00 H ATOM 1405 HG3 LYS A 87 23.774 5.223 -3.502 1.00 0.00 H ATOM 1406 HD2 LYS A 87 25.287 4.518 -1.483 1.00 0.00 H ATOM 1407 HD3 LYS A 87 26.625 4.501 -2.655 1.00 0.00 H ATOM 1408 HE2 LYS A 87 24.838 6.841 -2.013 1.00 0.00 H ATOM 1409 HE3 LYS A 87 26.151 6.829 -3.213 1.00 0.00 H ATOM 1410 HZ1 LYS A 87 26.482 6.313 -0.268 1.00 0.00 H ATOM 1411 HZ2 LYS A 87 27.736 6.302 -1.415 1.00 0.00 H ATOM 1412 HZ3 LYS A 87 26.913 7.748 -1.070 1.00 0.00 H ATOM 1413 H LYS A 87 21.750 3.811 -3.228 1.00 0.00 H ATOM 1414 N GLN A 88 22.383 0.557 -3.500 1.00 13.19 N ATOM 1415 CA GLN A 88 22.142 -0.925 -3.442 1.00 14.44 C ATOM 1416 C GLN A 88 21.506 -1.426 -4.711 1.00 16.01 C ATOM 1417 O GLN A 88 21.923 -2.478 -5.252 1.00 18.61 O ATOM 1418 CB GLN A 88 21.150 -1.273 -2.387 1.00 15.51 C ATOM 1419 CG GLN A 88 21.743 -1.163 -0.975 1.00 16.49 C ATOM 1420 CD GLN A 88 20.737 -1.583 0.094 1.00 19.25 C ATOM 1421 OE1 GLN A 88 20.221 -2.710 0.010 1.00 22.74 O ATOM 1422 NE2 GLN A 88 20.397 -0.691 1.081 1.00 20.65 N ATOM 1423 HA GLN A 88 23.121 -1.368 -3.259 1.00 0.00 H ATOM 1424 HB2 GLN A 88 20.301 -0.594 -2.465 1.00 0.00 H ATOM 1425 HB3 GLN A 88 20.811 -2.297 -2.547 1.00 0.00 H ATOM 1426 HG2 GLN A 88 22.620 -1.808 -0.908 1.00 0.00 H ATOM 1427 HG3 GLN A 88 22.039 -0.129 -0.795 1.00 0.00 H ATOM 1428 HE22 GLN A 88 20.852 0.243 1.117 1.00 0.00 H ATOM 1429 HE21 GLN A 88 19.684 -0.950 1.793 1.00 0.00 H ATOM 1430 H GLN A 88 21.904 1.164 -2.805 1.00 0.00 H ATOM 1431 N SER A 89 20.636 -0.579 -5.271 1.00 13.83 N ATOM 1432 CA SER A 89 20.049 -0.991 -6.601 1.00 13.01 C ATOM 1433 C SER A 89 21.073 -1.071 -7.732 1.00 15.00 C ATOM 1434 O SER A 89 20.803 -1.772 -8.775 1.00 16.54 O ATOM 1435 CB SER A 89 18.830 -0.087 -6.928 1.00 15.28 C ATOM 1436 OG SER A 89 19.275 1.149 -7.432 1.00 13.94 O ATOM 1437 HA SER A 89 19.699 -2.019 -6.510 1.00 0.00 H ATOM 1438 HB2 SER A 89 18.249 0.080 -6.021 1.00 0.00 H ATOM 1439 HB3 SER A 89 18.205 -0.578 -7.673 1.00 0.00 H ATOM 1440 HG SER A 89 19.842 1.596 -6.754 1.00 0.00 H ATOM 1441 H SER A 89 20.376 0.318 -4.814 1.00 0.00 H ATOM 1442 N HIS A 90 22.226 -0.406 -7.574 1.00 14.56 N ATOM 1443 CA HIS A 90 23.317 -0.379 -8.547 1.00 14.59 C ATOM 1444 C HIS A 90 24.435 -1.372 -8.214 1.00 18.89 C ATOM 1445 O HIS A 90 25.525 -1.251 -8.785 1.00 19.66 O ATOM 1446 CB HIS A 90 23.852 0.987 -8.720 1.00 15.48 C ATOM 1447 CG HIS A 90 22.966 1.855 -9.547 1.00 15.97 C ATOM 1448 ND1 HIS A 90 23.274 2.175 -10.840 1.00 15.07 N ATOM 1449 CD2 HIS A 90 21.774 2.461 -9.276 1.00 12.64 C ATOM 1450 CE1 HIS A 90 22.314 2.910 -11.376 1.00 13.63 C ATOM 1451 NE2 HIS A 90 21.389 3.129 -10.434 1.00 12.60 N ATOM 1452 HA HIS A 90 22.888 -0.699 -9.497 1.00 0.00 H ATOM 1453 HB2 HIS A 90 23.967 1.443 -7.737 1.00 0.00 H ATOM 1454 HB3 HIS A 90 24.826 0.921 -9.205 1.00 0.00 H ATOM 1455 HD2 HIS A 90 21.228 2.428 -8.333 1.00 0.00 H ATOM 1456 HE1 HIS A 90 22.282 3.273 -12.403 1.00 0.00 H ATOM 1457 H HIS A 90 22.354 0.131 -6.693 1.00 0.00 H ATOM 1458 N GLY A 91 24.166 -2.184 -7.212 1.00 20.42 N ATOM 1459 CA GLY A 91 25.072 -3.279 -6.812 1.00 23.30 C ATOM 1460 C GLY A 91 25.907 -2.947 -5.588 1.00 24.55 C ATOM 1461 O GLY A 91 26.792 -3.746 -5.194 1.00 26.19 O ATOM 1462 HA3 GLY A 91 25.744 -3.494 -7.643 1.00 0.00 H ATOM 1463 HA2 GLY A 91 24.473 -4.163 -6.594 1.00 0.00 H ATOM 1464 H GLY A 91 23.281 -2.048 -6.682 1.00 0.00 H ATOM 1465 N ALA A 92 25.634 -1.852 -4.878 1.00 22.65 N ATOM 1466 CA ALA A 92 26.423 -1.593 -3.626 1.00 21.79 C ATOM 1467 C ALA A 92 25.904 -2.458 -2.454 1.00 20.61 C ATOM 1468 O ALA A 92 24.734 -2.907 -2.324 1.00 19.79 O ATOM 1469 CB ALA A 92 26.409 -0.106 -3.242 1.00 19.94 C ATOM 1470 HA ALA A 92 27.456 -1.874 -3.833 1.00 0.00 H ATOM 1471 HB1 ALA A 92 26.845 0.481 -4.050 1.00 0.00 H ATOM 1472 HB2 ALA A 92 25.381 0.215 -3.073 1.00 0.00 H ATOM 1473 HB3 ALA A 92 26.991 0.038 -2.332 1.00 0.00 H ATOM 1474 H ALA A 92 24.891 -1.192 -5.184 1.00 0.00 H ATOM 1475 N ALA A 93 26.827 -2.729 -1.502 1.00 21.20 N ATOM 1476 CA ALA A 93 26.418 -3.380 -0.302 1.00 21.69 C ATOM 1477 C ALA A 93 25.482 -2.406 0.516 1.00 19.32 C ATOM 1478 O ALA A 93 25.620 -1.228 0.338 1.00 21.99 O ATOM 1479 CB ALA A 93 27.704 -3.692 0.552 1.00 22.51 C ATOM 1480 HA ALA A 93 25.881 -4.300 -0.531 1.00 0.00 H ATOM 1481 HB1 ALA A 93 28.369 -4.340 -0.019 1.00 0.00 H ATOM 1482 HB2 ALA A 93 28.217 -2.760 0.787 1.00 0.00 H ATOM 1483 HB3 ALA A 93 27.413 -4.191 1.476 1.00 0.00 H ATOM 1484 H ALA A 93 27.823 -2.465 -1.644 1.00 0.00 H ATOM 1485 N PRO A 94 24.531 -2.936 1.304 1.00 21.11 N ATOM 1486 CA PRO A 94 23.710 -2.031 2.182 1.00 20.61 C ATOM 1487 C PRO A 94 24.559 -1.203 3.113 1.00 22.35 C ATOM 1488 O PRO A 94 25.723 -1.611 3.523 1.00 22.80 O ATOM 1489 CB PRO A 94 22.895 -3.000 3.040 1.00 19.65 C ATOM 1490 CG PRO A 94 22.854 -4.299 2.253 1.00 23.89 C ATOM 1491 CD PRO A 94 24.185 -4.343 1.551 1.00 19.87 C ATOM 1492 HA PRO A 94 23.126 -1.336 1.579 1.00 0.00 H ATOM 1493 HD3 PRO A 94 24.936 -4.818 2.182 1.00 0.00 H ATOM 1494 HD2 PRO A 94 24.105 -4.889 0.611 1.00 0.00 H ATOM 1495 HG3 PRO A 94 22.036 -4.290 1.533 1.00 0.00 H ATOM 1496 HG2 PRO A 94 22.739 -5.153 2.920 1.00 0.00 H ATOM 1497 HB2 PRO A 94 23.377 -3.154 4.005 1.00 0.00 H ATOM 1498 HB3 PRO A 94 21.887 -2.616 3.196 1.00 0.00 H ATOM 1499 N CYS A 95 24.063 0.011 3.358 1.00 22.89 N ATOM 1500 CA CYS A 95 24.666 0.816 4.422 1.00 24.63 C ATOM 1501 C CYS A 95 26.159 1.155 4.122 1.00 27.37 C ATOM 1502 O CYS A 95 27.048 1.064 4.997 1.00 28.52 O ATOM 1503 CB CYS A 95 24.438 0.050 5.749 1.00 20.33 C ATOM 1504 SG CYS A 95 24.519 1.267 7.190 1.00 26.13 S ATOM 1505 HA CYS A 95 24.194 1.796 4.496 1.00 0.00 H ATOM 1506 HB2 CYS A 95 25.210 -0.710 5.869 1.00 0.00 H ATOM 1507 HB3 CYS A 95 23.459 -0.429 5.730 1.00 0.00 H ATOM 1508 H CYS A 95 23.263 0.379 2.804 1.00 0.00 H ATOM 1509 N SER A 96 26.450 1.595 2.889 1.00 29.11 N ATOM 1510 CA SER A 96 27.835 1.653 2.413 1.00 32.19 C ATOM 1511 C SER A 96 28.453 3.011 2.630 1.00 34.19 C ATOM 1512 O SER A 96 28.327 3.896 1.813 1.00 36.69 O ATOM 1513 CB SER A 96 27.929 1.258 0.918 1.00 32.41 C ATOM 1514 OG SER A 96 27.108 2.136 0.120 1.00 34.25 O ATOM 1515 HA SER A 96 28.400 0.932 3.004 1.00 0.00 H ATOM 1516 HB2 SER A 96 27.585 0.231 0.794 1.00 0.00 H ATOM 1517 HB3 SER A 96 28.965 1.335 0.589 1.00 0.00 H ATOM 1518 HG SER A 96 26.166 2.065 0.417 1.00 0.00 H ATOM 1519 H SER A 96 25.680 1.900 2.260 1.00 0.00 H TER 1520 SER A 96 ATOM 1521 N SER B 1 7.783 -8.019 4.559 1.00 31.51 N ATOM 1522 CA SER B 1 8.618 -7.713 5.759 1.00 26.96 C ATOM 1523 C SER B 1 9.027 -6.194 5.852 1.00 21.68 C ATOM 1524 O SER B 1 9.041 -5.621 6.949 1.00 20.50 O ATOM 1525 CB SER B 1 9.779 -8.700 5.895 1.00 32.21 C ATOM 1526 OG SER B 1 10.652 -8.359 6.981 1.00 36.58 O ATOM 1527 HA SER B 1 7.999 -7.867 6.643 1.00 0.00 H ATOM 1528 HB2 SER B 1 10.353 -8.698 4.968 1.00 0.00 H ATOM 1529 HB3 SER B 1 9.375 -9.697 6.068 1.00 0.00 H ATOM 1530 HG SER B 1 11.386 -9.021 7.033 1.00 0.00 H ATOM 1531 HN3 SER B 1 8.315 -7.781 3.698 1.00 0.00 H ATOM 1532 HN2 SER B 1 6.909 -7.457 4.594 1.00 0.00 H ATOM 1533 HN1 SER B 1 7.546 -9.032 4.552 1.00 0.00 H ATOM 1534 N ASN B 2 9.209 -5.530 4.723 1.00 18.68 N ATOM 1535 CA ASN B 2 9.434 -4.058 4.800 1.00 15.15 C ATOM 1536 C ASN B 2 8.256 -3.315 5.410 1.00 15.60 C ATOM 1537 O ASN B 2 7.034 -3.641 5.199 1.00 17.97 O ATOM 1538 CB ASN B 2 9.762 -3.522 3.426 1.00 13.50 C ATOM 1539 CG ASN B 2 11.151 -3.891 2.967 1.00 16.47 C ATOM 1540 OD1 ASN B 2 12.105 -4.051 3.762 1.00 21.33 O ATOM 1541 ND2 ASN B 2 11.302 -3.967 1.621 1.00 21.07 N ATOM 1542 HA ASN B 2 10.279 -3.887 5.467 1.00 0.00 H ATOM 1543 HB2 ASN B 2 9.042 -3.925 2.714 1.00 0.00 H ATOM 1544 HB3 ASN B 2 9.680 -2.435 3.448 1.00 0.00 H ATOM 1545 HD22 ASN B 2 10.482 -3.827 0.997 1.00 0.00 H ATOM 1546 HD21 ASN B 2 12.238 -4.165 1.213 1.00 0.00 H ATOM 1547 H ASN B 2 9.196 -6.021 3.806 1.00 0.00 H ATOM 1548 N THR B 3 8.572 -2.248 6.167 1.00 11.92 N ATOM 1549 CA THR B 3 7.514 -1.404 6.661 1.00 11.44 C ATOM 1550 C THR B 3 6.934 -0.492 5.576 1.00 11.60 C ATOM 1551 O THR B 3 7.501 -0.437 4.462 1.00 10.82 O ATOM 1552 CB THR B 3 8.080 -0.399 7.720 1.00 10.71 C ATOM 1553 OG1 THR B 3 9.090 0.410 7.098 1.00 10.42 O ATOM 1554 CG2 THR B 3 8.748 -1.202 8.881 1.00 13.52 C ATOM 1555 HA THR B 3 6.762 -2.088 7.054 1.00 0.00 H ATOM 1556 HB THR B 3 7.272 0.223 8.104 1.00 0.00 H ATOM 1557 HG1 THR B 3 9.454 1.049 7.761 1.00 0.00 H ATOM 1558 HG23 THR B 3 7.998 -1.825 9.369 1.00 0.00 H ATOM 1559 HG21 THR B 3 9.539 -1.833 8.476 1.00 0.00 H ATOM 1560 HG22 THR B 3 9.172 -0.506 9.605 1.00 0.00 H ATOM 1561 H THR B 3 9.565 -2.036 6.392 1.00 0.00 H ATOM 1562 N GLN B 4 5.877 0.262 5.910 1.00 10.10 N ATOM 1563 CA GLN B 4 5.314 1.197 4.889 1.00 11.52 C ATOM 1564 C GLN B 4 6.369 2.224 4.516 1.00 9.14 C ATOM 1565 O GLN B 4 6.470 2.594 3.353 1.00 9.03 O ATOM 1566 CB GLN B 4 4.046 1.955 5.297 1.00 12.96 C ATOM 1567 CG GLN B 4 2.953 0.994 5.532 1.00 14.80 C ATOM 1568 CD GLN B 4 1.731 1.667 6.109 1.00 20.92 C ATOM 1569 OE1 GLN B 4 1.706 2.024 7.346 1.00 20.66 O ATOM 1570 NE2 GLN B 4 0.688 1.805 5.247 1.00 21.11 N ATOM 1571 HA GLN B 4 5.026 0.553 4.058 1.00 0.00 H ATOM 1572 HB2 GLN B 4 4.237 2.519 6.210 1.00 0.00 H ATOM 1573 HB3 GLN B 4 3.761 2.642 4.500 1.00 0.00 H ATOM 1574 HG2 GLN B 4 2.685 0.526 4.585 1.00 0.00 H ATOM 1575 HG3 GLN B 4 3.298 0.230 6.229 1.00 0.00 H ATOM 1576 HE22 GLN B 4 0.784 1.492 4.260 1.00 0.00 H ATOM 1577 HE21 GLN B 4 -0.206 2.223 5.575 1.00 0.00 H ATOM 1578 H GLN B 4 5.458 0.198 6.860 1.00 0.00 H ATOM 1579 N ALA B 5 7.142 2.683 5.507 1.00 8.96 N ATOM 1580 CA ALA B 5 8.191 3.702 5.164 1.00 9.16 C ATOM 1581 C ALA B 5 9.295 3.145 4.298 1.00 8.38 C ATOM 1582 O ALA B 5 9.653 3.773 3.303 1.00 8.36 O ATOM 1583 CB ALA B 5 8.799 4.282 6.459 1.00 9.78 C ATOM 1584 HA ALA B 5 7.694 4.484 4.589 1.00 0.00 H ATOM 1585 HB1 ALA B 5 8.013 4.756 7.047 1.00 0.00 H ATOM 1586 HB2 ALA B 5 9.253 3.478 7.038 1.00 0.00 H ATOM 1587 HB3 ALA B 5 9.559 5.020 6.203 1.00 0.00 H ATOM 1588 H ALA B 5 7.020 2.345 6.483 1.00 0.00 H ATOM 1589 N GLU B 6 9.736 1.906 4.570 1.00 7.51 N ATOM 1590 CA GLU B 6 10.809 1.331 3.733 1.00 7.86 C ATOM 1591 C GLU B 6 10.227 1.066 2.330 1.00 8.39 C ATOM 1592 O GLU B 6 10.914 1.355 1.346 1.00 10.39 O ATOM 1593 CB GLU B 6 11.218 -0.025 4.343 1.00 8.22 C ATOM 1594 CG GLU B 6 12.073 0.343 5.635 1.00 9.09 C ATOM 1595 CD GLU B 6 12.240 -0.961 6.531 1.00 10.36 C ATOM 1596 OE1 GLU B 6 11.418 -1.949 6.442 1.00 14.17 O ATOM 1597 OE2 GLU B 6 13.255 -0.949 7.305 1.00 9.98 O ATOM 1598 HA GLU B 6 11.664 2.006 3.680 1.00 0.00 H ATOM 1599 HB2 GLU B 6 10.336 -0.603 4.619 1.00 0.00 H ATOM 1600 HB3 GLU B 6 11.819 -0.597 3.636 1.00 0.00 H ATOM 1601 HG2 GLU B 6 13.055 0.708 5.333 1.00 0.00 H ATOM 1602 HG3 GLU B 6 11.559 1.116 6.206 1.00 0.00 H ATOM 1603 H GLU B 6 9.329 1.361 5.356 1.00 0.00 H ATOM 1604 N ARG B 7 8.972 0.540 2.277 1.00 8.52 N ATOM 1605 CA ARG B 7 8.347 0.289 0.940 1.00 9.54 C ATOM 1606 C ARG B 7 8.187 1.561 0.139 1.00 11.40 C ATOM 1607 O ARG B 7 8.385 1.541 -1.103 1.00 12.88 O ATOM 1608 CB ARG B 7 6.980 -0.388 1.141 1.00 10.74 C ATOM 1609 CG ARG B 7 7.112 -1.881 1.559 1.00 15.74 C ATOM 1610 CD ARG B 7 5.623 -2.389 1.402 1.00 28.83 C ATOM 1611 NE ARG B 7 4.869 -2.090 2.606 1.00 40.51 N ATOM 1612 CZ ARG B 7 4.605 -3.013 3.523 1.00 46.96 C ATOM 1613 NH1 ARG B 7 5.005 -4.275 3.285 1.00 50.55 N ATOM 1614 NH2 ARG B 7 3.932 -2.704 4.636 1.00 47.81 N ATOM 1615 HA ARG B 7 9.010 -0.365 0.373 1.00 0.00 H ATOM 1616 HB2 ARG B 7 6.436 0.147 1.919 1.00 0.00 H ATOM 1617 HB3 ARG B 7 6.422 -0.334 0.206 1.00 0.00 H ATOM 1618 HG2 ARG B 7 7.789 -2.421 0.897 1.00 0.00 H ATOM 1619 HG3 ARG B 7 7.459 -1.977 2.588 1.00 0.00 H ATOM 1620 HD2 ARG B 7 5.624 -3.466 1.234 1.00 0.00 H ATOM 1621 HD3 ARG B 7 5.159 -1.890 0.551 1.00 0.00 H ATOM 1622 HE ARG B 7 4.524 -1.120 2.755 1.00 0.00 H ATOM 1623 HH12 ARG B 7 4.814 -5.022 3.983 1.00 0.00 H ATOM 1624 HH11 ARG B 7 5.506 -4.504 2.403 1.00 0.00 H ATOM 1625 HH22 ARG B 7 3.733 -3.439 5.345 1.00 0.00 H ATOM 1626 HH21 ARG B 7 3.607 -1.729 4.793 1.00 0.00 H ATOM 1627 H ARG B 7 8.456 0.316 3.152 1.00 0.00 H ATOM 1628 N SER B 8 7.921 2.701 0.809 1.00 9.63 N ATOM 1629 CA SER B 8 7.776 3.983 0.090 1.00 10.17 C ATOM 1630 C SER B 8 9.081 4.405 -0.492 1.00 10.51 C ATOM 1631 O SER B 8 9.112 4.840 -1.637 1.00 13.09 O ATOM 1632 CB SER B 8 7.304 5.070 1.081 1.00 11.99 C ATOM 1633 OG SER B 8 5.988 4.767 1.457 1.00 15.29 O ATOM 1634 HA SER B 8 7.049 3.854 -0.712 1.00 0.00 H ATOM 1635 HB2 SER B 8 7.337 6.048 0.602 1.00 0.00 H ATOM 1636 HB3 SER B 8 7.949 5.076 1.960 1.00 0.00 H ATOM 1637 HG SER B 8 5.966 3.876 1.888 1.00 0.00 H ATOM 1638 H SER B 8 7.817 2.677 1.843 1.00 0.00 H ATOM 1639 N ILE B 9 10.167 4.292 0.279 1.00 8.81 N ATOM 1640 CA ILE B 9 11.498 4.679 -0.295 1.00 10.39 C ATOM 1641 C ILE B 9 11.899 3.788 -1.453 1.00 9.19 C ATOM 1642 O ILE B 9 12.324 4.301 -2.543 1.00 9.98 O ATOM 1643 CB ILE B 9 12.536 4.662 0.826 1.00 12.35 C ATOM 1644 CG1 ILE B 9 12.144 5.672 1.889 1.00 14.98 C ATOM 1645 CG2 ILE B 9 14.014 4.790 0.210 1.00 14.89 C ATOM 1646 CD1 ILE B 9 13.184 6.594 2.495 1.00 23.97 C ATOM 1647 HA ILE B 9 11.431 5.685 -0.708 1.00 0.00 H ATOM 1648 HB ILE B 9 12.558 3.708 1.352 1.00 0.00 H ATOM 1649 HG12 ILE B 9 11.380 6.311 1.446 1.00 0.00 H ATOM 1650 HG13 ILE B 9 11.710 5.106 2.713 1.00 0.00 H ATOM 1651 HD11 ILE B 9 13.959 5.998 2.977 1.00 0.00 H ATOM 1652 HD12 ILE B 9 13.629 7.204 1.709 1.00 0.00 H ATOM 1653 HD13 ILE B 9 12.709 7.240 3.233 1.00 0.00 H ATOM 1654 HG21 ILE B 9 14.199 3.953 -0.463 1.00 0.00 H ATOM 1655 HG22 ILE B 9 14.097 5.727 -0.341 1.00 0.00 H ATOM 1656 HG23 ILE B 9 14.745 4.777 1.018 1.00 0.00 H ATOM 1657 H ILE B 9 10.091 3.943 1.256 1.00 0.00 H ATOM 1658 N ILE B 10 11.757 2.457 -1.255 1.00 7.77 N ATOM 1659 CA ILE B 10 12.122 1.516 -2.373 1.00 9.05 C ATOM 1660 C ILE B 10 11.219 1.802 -3.585 1.00 9.78 C ATOM 1661 O ILE B 10 11.709 1.801 -4.737 1.00 12.27 O ATOM 1662 CB ILE B 10 11.938 0.112 -1.903 1.00 10.48 C ATOM 1663 CG1 ILE B 10 13.046 -0.171 -0.885 1.00 12.45 C ATOM 1664 CG2 ILE B 10 12.077 -0.873 -3.080 1.00 12.30 C ATOM 1665 CD1 ILE B 10 12.849 -1.441 -0.019 1.00 14.64 C ATOM 1666 HA ILE B 10 13.162 1.658 -2.667 1.00 0.00 H ATOM 1667 HB ILE B 10 10.947 -0.012 -1.466 1.00 0.00 H ATOM 1668 HG12 ILE B 10 13.984 -0.278 -1.430 1.00 0.00 H ATOM 1669 HG13 ILE B 10 13.113 0.686 -0.214 1.00 0.00 H ATOM 1670 HD11 ILE B 10 11.924 -1.351 0.550 1.00 0.00 H ATOM 1671 HD12 ILE B 10 12.795 -2.316 -0.667 1.00 0.00 H ATOM 1672 HD13 ILE B 10 13.690 -1.546 0.666 1.00 0.00 H ATOM 1673 HG21 ILE B 10 11.320 -0.648 -3.832 1.00 0.00 H ATOM 1674 HG22 ILE B 10 13.069 -0.773 -3.520 1.00 0.00 H ATOM 1675 HG23 ILE B 10 11.940 -1.892 -2.718 1.00 0.00 H ATOM 1676 H ILE B 10 11.403 2.091 -0.348 1.00 0.00 H ATOM 1677 N GLY B 11 9.923 2.086 -3.336 1.00 10.50 N ATOM 1678 CA GLY B 11 8.997 2.363 -4.440 1.00 11.15 C ATOM 1679 C GLY B 11 9.440 3.608 -5.207 1.00 11.37 C ATOM 1680 O GLY B 11 9.286 3.626 -6.495 1.00 12.59 O ATOM 1681 HA3 GLY B 11 7.997 2.525 -4.038 1.00 0.00 H ATOM 1682 HA2 GLY B 11 8.981 1.510 -5.118 1.00 0.00 H ATOM 1683 H GLY B 11 9.579 2.109 -2.355 1.00 0.00 H ATOM 1684 N MET B 12 9.865 4.661 -4.522 1.00 12.60 N ATOM 1685 CA MET B 12 10.258 5.935 -5.198 1.00 13.80 C ATOM 1686 C MET B 12 11.530 5.718 -6.049 1.00 12.54 C ATOM 1687 O MET B 12 11.632 6.289 -7.146 1.00 12.07 O ATOM 1688 CB MET B 12 10.476 7.087 -4.169 1.00 15.54 C ATOM 1689 CG MET B 12 9.177 7.609 -3.661 1.00 19.20 C ATOM 1690 SD MET B 12 7.865 8.153 -4.814 1.00 24.82 S ATOM 1691 CE MET B 12 7.346 9.637 -3.911 1.00 21.75 C ATOM 1692 HA MET B 12 9.440 6.232 -5.854 1.00 0.00 H ATOM 1693 HB2 MET B 12 11.060 6.709 -3.330 1.00 0.00 H ATOM 1694 HB3 MET B 12 11.021 7.898 -4.653 1.00 0.00 H ATOM 1695 HG2 MET B 12 9.412 8.467 -3.032 1.00 0.00 H ATOM 1696 HG3 MET B 12 8.743 6.819 -3.048 1.00 0.00 H ATOM 1697 HE1 MET B 12 6.998 9.353 -2.918 1.00 0.00 H ATOM 1698 HE2 MET B 12 8.191 10.319 -3.820 1.00 0.00 H ATOM 1699 HE3 MET B 12 6.538 10.127 -4.454 1.00 0.00 H ATOM 1700 H MET B 12 9.927 4.599 -3.486 1.00 0.00 H ATOM 1701 N ILE B 13 12.413 4.831 -5.609 1.00 9.54 N ATOM 1702 CA ILE B 13 13.652 4.505 -6.385 1.00 9.81 C ATOM 1703 C ILE B 13 13.172 3.726 -7.646 1.00 9.22 C ATOM 1704 O ILE B 13 13.658 3.946 -8.784 1.00 9.84 O ATOM 1705 CB ILE B 13 14.631 3.748 -5.537 1.00 11.44 C ATOM 1706 CG1 ILE B 13 15.262 4.779 -4.503 1.00 14.92 C ATOM 1707 CG2 ILE B 13 15.708 3.045 -6.439 1.00 12.99 C ATOM 1708 CD1 ILE B 13 15.706 4.003 -3.283 1.00 19.56 C ATOM 1709 HA ILE B 13 14.198 5.396 -6.695 1.00 0.00 H ATOM 1710 HB ILE B 13 14.143 2.947 -4.981 1.00 0.00 H ATOM 1711 HG12 ILE B 13 16.118 5.280 -4.955 1.00 0.00 H ATOM 1712 HG13 ILE B 13 14.516 5.522 -4.219 1.00 0.00 H ATOM 1713 HD11 ILE B 13 14.845 3.502 -2.839 1.00 0.00 H ATOM 1714 HD12 ILE B 13 16.448 3.261 -3.576 1.00 0.00 H ATOM 1715 HD13 ILE B 13 16.143 4.689 -2.557 1.00 0.00 H ATOM 1716 HG21 ILE B 13 15.214 2.350 -7.118 1.00 0.00 H ATOM 1717 HG22 ILE B 13 16.245 3.798 -7.016 1.00 0.00 H ATOM 1718 HG23 ILE B 13 16.410 2.501 -5.807 1.00 0.00 H ATOM 1719 H ILE B 13 12.241 4.350 -4.703 1.00 0.00 H ATOM 1720 N ASP B 14 12.311 2.763 -7.414 1.00 8.53 N ATOM 1721 CA ASP B 14 11.846 1.966 -8.578 1.00 8.49 C ATOM 1722 C ASP B 14 11.086 2.852 -9.571 1.00 10.00 C ATOM 1723 O ASP B 14 11.258 2.693 -10.823 1.00 9.29 O ATOM 1724 CB ASP B 14 10.929 0.784 -8.074 1.00 7.22 C ATOM 1725 CG ASP B 14 11.733 -0.267 -7.298 1.00 8.14 C ATOM 1726 OD1 ASP B 14 12.996 -0.248 -7.369 1.00 12.12 O ATOM 1727 OD2 ASP B 14 11.072 -1.074 -6.565 1.00 11.91 O ATOM 1728 HA ASP B 14 12.712 1.551 -9.094 1.00 0.00 H ATOM 1729 HB2 ASP B 14 10.156 1.190 -7.422 1.00 0.00 H ATOM 1730 HB3 ASP B 14 10.462 0.307 -8.936 1.00 0.00 H ATOM 1731 H ASP B 14 11.968 2.566 -6.452 1.00 0.00 H ATOM 1732 N MET B 15 10.257 3.785 -9.057 1.00 8.68 N ATOM 1733 CA MET B 15 9.617 4.782 -9.973 1.00 9.26 C ATOM 1734 C MET B 15 10.674 5.580 -10.751 1.00 10.65 C ATOM 1735 O MET B 15 10.500 5.746 -11.994 1.00 10.20 O ATOM 1736 CB MET B 15 8.712 5.739 -9.134 1.00 9.00 C ATOM 1737 CG MET B 15 7.892 6.729 -10.071 1.00 11.14 C ATOM 1738 SD MET B 15 7.057 7.999 -9.031 1.00 13.60 S ATOM 1739 CE MET B 15 8.391 8.988 -8.469 1.00 11.46 C ATOM 1740 HA MET B 15 9.007 4.251 -10.704 1.00 0.00 H ATOM 1741 HB2 MET B 15 8.012 5.143 -8.548 1.00 0.00 H ATOM 1742 HB3 MET B 15 9.340 6.324 -8.462 1.00 0.00 H ATOM 1743 HG2 MET B 15 7.144 6.166 -10.630 1.00 0.00 H ATOM 1744 HG3 MET B 15 8.572 7.218 -10.768 1.00 0.00 H ATOM 1745 HE1 MET B 15 9.085 8.370 -7.900 1.00 0.00 H ATOM 1746 HE2 MET B 15 8.907 9.421 -9.326 1.00 0.00 H ATOM 1747 HE3 MET B 15 8.007 9.786 -7.833 1.00 0.00 H ATOM 1748 H MET B 15 10.065 3.811 -8.035 1.00 0.00 H ATOM 1749 N PHE B 16 11.742 6.097 -10.113 1.00 8.55 N ATOM 1750 CA PHE B 16 12.785 6.804 -10.822 1.00 8.60 C ATOM 1751 C PHE B 16 13.343 5.951 -11.965 1.00 10.15 C ATOM 1752 O PHE B 16 13.507 6.466 -13.084 1.00 9.68 O ATOM 1753 CB PHE B 16 13.927 7.040 -9.788 1.00 9.18 C ATOM 1754 CG PHE B 16 15.161 7.735 -10.329 1.00 7.64 C ATOM 1755 CD1 PHE B 16 15.127 9.104 -10.682 1.00 10.22 C ATOM 1756 CD2 PHE B 16 16.347 7.015 -10.507 1.00 10.28 C ATOM 1757 CE1 PHE B 16 16.311 9.724 -11.174 1.00 11.74 C ATOM 1758 CE2 PHE B 16 17.497 7.577 -10.967 1.00 10.32 C ATOM 1759 CZ PHE B 16 17.490 8.961 -11.293 1.00 12.26 C ATOM 1760 HA PHE B 16 12.396 7.731 -11.244 1.00 0.00 H ATOM 1761 HB2 PHE B 16 13.526 7.648 -8.977 1.00 0.00 H ATOM 1762 HB3 PHE B 16 14.232 6.070 -9.396 1.00 0.00 H ATOM 1763 HD2 PHE B 16 16.350 5.952 -10.265 1.00 0.00 H ATOM 1764 HE2 PHE B 16 18.402 6.981 -11.083 1.00 0.00 H ATOM 1765 HZ PHE B 16 18.407 9.437 -11.639 1.00 0.00 H ATOM 1766 HE1 PHE B 16 16.305 10.777 -11.455 1.00 0.00 H ATOM 1767 HD1 PHE B 16 14.206 9.678 -10.579 1.00 0.00 H ATOM 1768 H PHE B 16 11.818 5.984 -9.082 1.00 0.00 H ATOM 1769 N HIS B 17 13.563 4.671 -11.674 1.00 8.30 N ATOM 1770 CA HIS B 17 14.131 3.774 -12.717 1.00 6.34 C ATOM 1771 C HIS B 17 13.120 3.422 -13.819 1.00 9.63 C ATOM 1772 O HIS B 17 13.583 2.792 -14.781 1.00 10.06 O ATOM 1773 CB HIS B 17 14.677 2.514 -11.998 1.00 7.21 C ATOM 1774 CG HIS B 17 15.980 2.764 -11.346 1.00 6.30 C ATOM 1775 ND1 HIS B 17 16.391 2.017 -10.243 1.00 9.99 N ATOM 1776 CD2 HIS B 17 16.978 3.637 -11.651 1.00 7.82 C ATOM 1777 CE1 HIS B 17 17.612 2.419 -9.908 1.00 7.81 C ATOM 1778 NE2 HIS B 17 18.004 3.410 -10.725 1.00 11.04 N ATOM 1779 HA HIS B 17 14.936 4.289 -13.241 1.00 0.00 H ATOM 1780 HB2 HIS B 17 13.958 2.203 -11.240 1.00 0.00 H ATOM 1781 HB3 HIS B 17 14.798 1.716 -12.731 1.00 0.00 H ATOM 1782 HD2 HIS B 17 16.979 4.370 -12.458 1.00 0.00 H ATOM 1783 HE1 HIS B 17 18.206 2.007 -9.093 1.00 0.00 H ATOM 1784 H HIS B 17 13.340 4.301 -10.728 1.00 0.00 H ATOM 1785 N LYS B 18 11.815 3.703 -13.741 1.00 8.03 N ATOM 1786 CA LYS B 18 10.970 3.508 -14.936 1.00 9.32 C ATOM 1787 C LYS B 18 11.376 4.551 -15.998 1.00 9.52 C ATOM 1788 O LYS B 18 11.037 4.321 -17.196 1.00 11.16 O ATOM 1789 CB LYS B 18 9.518 3.757 -14.479 1.00 10.84 C ATOM 1790 CG LYS B 18 8.394 3.747 -15.355 1.00 22.36 C ATOM 1791 CD LYS B 18 7.343 2.849 -14.461 1.00 25.12 C ATOM 1792 CE LYS B 18 6.480 3.618 -13.636 1.00 22.65 C ATOM 1793 NZ LYS B 18 4.991 3.772 -14.290 1.00 18.84 N ATOM 1794 HA LYS B 18 11.079 2.512 -15.365 1.00 0.00 H ATOM 1795 HB2 LYS B 18 9.311 2.998 -13.724 1.00 0.00 H ATOM 1796 HB3 LYS B 18 9.520 4.742 -14.012 1.00 0.00 H ATOM 1797 HG2 LYS B 18 8.014 4.752 -15.538 1.00 0.00 H ATOM 1798 HG3 LYS B 18 8.627 3.269 -16.307 1.00 0.00 H ATOM 1799 HD2 LYS B 18 6.730 2.260 -15.143 1.00 0.00 H ATOM 1800 HD3 LYS B 18 7.921 2.180 -13.823 1.00 0.00 H ATOM 1801 HE2 LYS B 18 6.911 4.610 -13.503 1.00 0.00 H ATOM 1802 HE3 LYS B 18 6.391 3.129 -12.666 1.00 0.00 H ATOM 1803 HZ1 LYS B 18 5.066 4.244 -15.213 1.00 0.00 H ATOM 1804 HZ2 LYS B 18 4.569 2.830 -14.415 1.00 0.00 H ATOM 1805 HZ3 LYS B 18 4.393 4.340 -13.657 1.00 0.00 H ATOM 1806 H LYS B 18 11.402 4.053 -12.853 1.00 0.00 H ATOM 1807 N TYR B 19 11.965 5.684 -15.574 1.00 10.11 N ATOM 1808 CA TYR B 19 12.032 6.835 -16.494 1.00 8.88 C ATOM 1809 C TYR B 19 13.446 7.217 -16.893 1.00 10.31 C ATOM 1810 O TYR B 19 13.608 8.139 -17.741 1.00 12.08 O ATOM 1811 CB TYR B 19 11.336 8.079 -15.852 1.00 11.61 C ATOM 1812 CG TYR B 19 9.908 7.816 -15.582 1.00 8.85 C ATOM 1813 CD1 TYR B 19 8.899 7.916 -16.565 1.00 9.90 C ATOM 1814 CD2 TYR B 19 9.452 7.499 -14.261 1.00 10.12 C ATOM 1815 CE1 TYR B 19 7.510 7.656 -16.274 1.00 11.40 C ATOM 1816 CE2 TYR B 19 8.135 7.178 -13.997 1.00 10.52 C ATOM 1817 CZ TYR B 19 7.165 7.242 -14.935 1.00 10.43 C ATOM 1818 OH TYR B 19 5.836 7.056 -14.724 1.00 12.26 O ATOM 1819 HA TYR B 19 11.514 6.521 -17.400 1.00 0.00 H ATOM 1820 HB3 TYR B 19 11.419 8.924 -16.535 1.00 0.00 H ATOM 1821 HB2 TYR B 19 11.836 8.321 -14.914 1.00 0.00 H ATOM 1822 HD2 TYR B 19 10.167 7.512 -13.439 1.00 0.00 H ATOM 1823 HE2 TYR B 19 7.867 6.860 -12.990 1.00 0.00 H ATOM 1824 HE1 TYR B 19 6.745 7.769 -17.042 1.00 0.00 H ATOM 1825 HD1 TYR B 19 9.179 8.200 -17.579 1.00 0.00 H ATOM 1826 HH TYR B 19 5.350 7.159 -15.580 1.00 0.00 H ATOM 1827 H TYR B 19 12.365 5.747 -14.616 1.00 0.00 H ATOM 1828 N THR B 20 14.466 6.580 -16.313 1.00 8.76 N ATOM 1829 CA THR B 20 15.879 6.919 -16.612 1.00 9.22 C ATOM 1830 C THR B 20 16.252 6.412 -18.019 1.00 11.14 C ATOM 1831 O THR B 20 15.640 5.428 -18.534 1.00 12.44 O ATOM 1832 CB THR B 20 16.861 6.230 -15.645 1.00 10.55 C ATOM 1833 OG1 THR B 20 16.394 4.860 -15.468 1.00 9.59 O ATOM 1834 CG2 THR B 20 16.773 6.922 -14.280 1.00 10.66 C ATOM 1835 HA THR B 20 15.958 8.002 -16.522 1.00 0.00 H ATOM 1836 HB THR B 20 17.880 6.271 -16.031 1.00 0.00 H ATOM 1837 HG1 THR B 20 17.002 4.382 -14.850 1.00 0.00 H ATOM 1838 HG23 THR B 20 17.116 7.953 -14.374 1.00 0.00 H ATOM 1839 HG21 THR B 20 15.739 6.911 -13.935 1.00 0.00 H ATOM 1840 HG22 THR B 20 17.402 6.392 -13.564 1.00 0.00 H ATOM 1841 H THR B 20 14.264 5.822 -15.630 1.00 0.00 H ATOM 1842 N ARG B 21 17.215 7.090 -18.616 1.00 13.03 N ATOM 1843 CA ARG B 21 17.992 6.525 -19.747 1.00 14.90 C ATOM 1844 C ARG B 21 19.153 5.705 -19.250 1.00 14.06 C ATOM 1845 O ARG B 21 19.363 5.447 -18.033 1.00 12.39 O ATOM 1846 CB ARG B 21 18.545 7.726 -20.590 1.00 16.51 C ATOM 1847 CG ARG B 21 17.445 8.656 -21.085 1.00 23.11 C ATOM 1848 CD ARG B 21 16.579 8.028 -22.148 1.00 36.17 C ATOM 1849 NE ARG B 21 15.494 8.928 -22.589 1.00 46.50 N ATOM 1850 CZ ARG B 21 14.503 8.601 -23.448 1.00 52.13 C ATOM 1851 NH1 ARG B 21 14.450 7.385 -24.016 1.00 52.51 N ATOM 1852 NH2 ARG B 21 13.567 9.515 -23.771 1.00 51.97 N ATOM 1853 HA ARG B 21 17.348 5.878 -20.343 1.00 0.00 H ATOM 1854 HB2 ARG B 21 19.233 8.300 -19.969 1.00 0.00 H ATOM 1855 HB3 ARG B 21 19.080 7.329 -21.453 1.00 0.00 H ATOM 1856 HG2 ARG B 21 16.814 8.930 -20.239 1.00 0.00 H ATOM 1857 HG3 ARG B 21 17.907 9.553 -21.498 1.00 0.00 H ATOM 1858 HD2 ARG B 21 16.137 7.116 -21.747 1.00 0.00 H ATOM 1859 HD3 ARG B 21 17.202 7.781 -23.008 1.00 0.00 H ATOM 1860 HE ARG B 21 15.492 9.895 -22.206 1.00 0.00 H ATOM 1861 HH12 ARG B 21 13.680 7.152 -24.675 1.00 0.00 H ATOM 1862 HH11 ARG B 21 15.179 6.677 -23.797 1.00 0.00 H ATOM 1863 HH22 ARG B 21 12.803 9.266 -24.432 1.00 0.00 H ATOM 1864 HH21 ARG B 21 13.608 10.469 -23.360 1.00 0.00 H ATOM 1865 H ARG B 21 17.436 8.050 -18.283 1.00 0.00 H ATOM 1866 N ARG B 22 20.041 5.279 -20.199 1.00 14.05 N ATOM 1867 CA ARG B 22 21.110 4.420 -19.829 1.00 16.31 C ATOM 1868 C ARG B 22 22.158 5.063 -18.941 1.00 16.19 C ATOM 1869 O ARG B 22 22.941 4.356 -18.327 1.00 19.26 O ATOM 1870 CB ARG B 22 21.822 3.952 -21.145 1.00 18.19 C ATOM 1871 CG ARG B 22 21.055 2.864 -21.851 1.00 26.28 C ATOM 1872 CD ARG B 22 21.647 2.545 -23.265 1.00 32.83 C ATOM 1873 NE ARG B 22 20.625 2.230 -24.275 1.00 44.71 N ATOM 1874 CZ ARG B 22 20.359 1.024 -24.800 1.00 50.56 C ATOM 1875 NH1 ARG B 22 21.005 -0.107 -24.418 1.00 52.00 N ATOM 1876 NH2 ARG B 22 19.401 0.955 -25.728 1.00 51.54 N ATOM 1877 HA ARG B 22 20.671 3.604 -19.254 1.00 0.00 H ATOM 1878 HB2 ARG B 22 21.918 4.806 -21.815 1.00 0.00 H ATOM 1879 HB3 ARG B 22 22.814 3.576 -20.893 1.00 0.00 H ATOM 1880 HG2 ARG B 22 21.089 1.959 -21.244 1.00 0.00 H ATOM 1881 HG3 ARG B 22 20.019 3.183 -21.968 1.00 0.00 H ATOM 1882 HD2 ARG B 22 22.316 1.690 -23.173 1.00 0.00 H ATOM 1883 HD3 ARG B 22 22.212 3.412 -23.606 1.00 0.00 H ATOM 1884 HE ARG B 22 20.049 3.025 -24.618 1.00 0.00 H ATOM 1885 HH12 ARG B 22 20.761 -1.018 -24.856 1.00 0.00 H ATOM 1886 HH11 ARG B 22 21.744 -0.062 -23.687 1.00 0.00 H ATOM 1887 HH22 ARG B 22 19.162 0.040 -26.162 1.00 0.00 H ATOM 1888 HH21 ARG B 22 18.894 1.816 -26.017 1.00 0.00 H ATOM 1889 H ARG B 22 19.934 5.583 -21.188 1.00 0.00 H ATOM 1890 N ASP B 23 22.145 6.408 -18.793 1.00 14.09 N ATOM 1891 CA ASP B 23 23.088 7.028 -17.900 1.00 13.46 C ATOM 1892 C ASP B 23 22.468 7.235 -16.475 1.00 12.46 C ATOM 1893 O ASP B 23 23.081 7.958 -15.684 1.00 11.99 O ATOM 1894 CB ASP B 23 23.433 8.416 -18.488 1.00 14.90 C ATOM 1895 CG ASP B 23 22.214 9.342 -18.593 1.00 17.09 C ATOM 1896 OD1 ASP B 23 21.033 8.951 -18.384 1.00 14.23 O ATOM 1897 OD2 ASP B 23 22.397 10.576 -18.995 1.00 22.85 O ATOM 1898 HA ASP B 23 23.968 6.392 -17.802 1.00 0.00 H ATOM 1899 HB2 ASP B 23 24.176 8.890 -17.847 1.00 0.00 H ATOM 1900 HB3 ASP B 23 23.851 8.277 -19.485 1.00 0.00 H ATOM 1901 H ASP B 23 21.461 6.988 -19.319 1.00 0.00 H ATOM 1902 N ASP B 24 21.359 6.550 -16.193 1.00 13.99 N ATOM 1903 CA ASP B 24 20.713 6.578 -14.856 1.00 10.92 C ATOM 1904 C ASP B 24 20.223 8.016 -14.546 1.00 11.29 C ATOM 1905 O ASP B 24 20.085 8.399 -13.347 1.00 10.53 O ATOM 1906 CB ASP B 24 21.704 6.150 -13.764 1.00 10.81 C ATOM 1907 CG ASP B 24 20.995 5.809 -12.444 1.00 11.34 C ATOM 1908 OD1 ASP B 24 19.914 5.166 -12.452 1.00 10.66 O ATOM 1909 OD2 ASP B 24 21.575 6.196 -11.395 1.00 12.31 O ATOM 1910 HA ASP B 24 19.872 5.885 -14.868 1.00 0.00 H ATOM 1911 HB2 ASP B 24 22.249 5.271 -14.108 1.00 0.00 H ATOM 1912 HB3 ASP B 24 22.406 6.965 -13.586 1.00 0.00 H ATOM 1913 H ASP B 24 20.928 5.971 -16.942 1.00 0.00 H ATOM 1914 N LYS B 25 19.904 8.796 -15.588 1.00 9.87 N ATOM 1915 CA LYS B 25 19.304 10.144 -15.401 1.00 9.85 C ATOM 1916 C LYS B 25 18.055 10.299 -16.249 1.00 9.74 C ATOM 1917 O LYS B 25 17.837 9.543 -17.241 1.00 11.50 O ATOM 1918 CB LYS B 25 20.342 11.199 -15.696 1.00 9.51 C ATOM 1919 CG LYS B 25 21.651 10.989 -15.056 1.00 11.73 C ATOM 1920 CD LYS B 25 22.617 12.176 -15.430 1.00 15.55 C ATOM 1921 CE LYS B 25 23.928 11.902 -14.775 1.00 21.58 C ATOM 1922 NZ LYS B 25 25.036 12.777 -15.333 1.00 29.28 N ATOM 1923 HA LYS B 25 18.988 10.268 -14.365 1.00 0.00 H ATOM 1924 HB2 LYS B 25 20.495 11.229 -16.775 1.00 0.00 H ATOM 1925 HB3 LYS B 25 19.952 12.159 -15.359 1.00 0.00 H ATOM 1926 HG2 LYS B 25 21.524 10.951 -13.974 1.00 0.00 H ATOM 1927 HG3 LYS B 25 22.079 10.049 -15.404 1.00 0.00 H ATOM 1928 HD2 LYS B 25 22.743 12.228 -16.511 1.00 0.00 H ATOM 1929 HD3 LYS B 25 22.208 13.119 -15.067 1.00 0.00 H ATOM 1930 HE2 LYS B 25 24.190 10.856 -14.936 1.00 0.00 H ATOM 1931 HE3 LYS B 25 23.834 12.092 -13.706 1.00 0.00 H ATOM 1932 HZ1 LYS B 25 25.138 12.598 -16.352 1.00 0.00 H ATOM 1933 HZ2 LYS B 25 24.797 13.777 -15.178 1.00 0.00 H ATOM 1934 HZ3 LYS B 25 25.929 12.553 -14.850 1.00 0.00 H ATOM 1935 H LYS B 25 20.081 8.450 -16.553 1.00 0.00 H ATOM 1936 N ILE B 26 17.170 11.238 -15.885 1.00 8.99 N ATOM 1937 CA ILE B 26 15.880 11.360 -16.575 1.00 9.29 C ATOM 1938 C ILE B 26 15.978 12.615 -17.477 1.00 9.69 C ATOM 1939 O ILE B 26 16.357 13.757 -17.047 1.00 10.65 O ATOM 1940 CB ILE B 26 14.782 11.580 -15.523 1.00 7.17 C ATOM 1941 CG1 ILE B 26 14.682 10.309 -14.634 1.00 10.84 C ATOM 1942 CG2 ILE B 26 13.504 11.824 -16.228 1.00 9.00 C ATOM 1943 CD1 ILE B 26 13.578 10.467 -13.500 1.00 9.28 C ATOM 1944 HA ILE B 26 15.648 10.470 -17.160 1.00 0.00 H ATOM 1945 HB ILE B 26 15.012 12.437 -14.889 1.00 0.00 H ATOM 1946 HG12 ILE B 26 14.423 9.457 -15.263 1.00 0.00 H ATOM 1947 HG13 ILE B 26 15.649 10.130 -14.163 1.00 0.00 H ATOM 1948 HD11 ILE B 26 13.833 11.313 -12.862 1.00 0.00 H ATOM 1949 HD12 ILE B 26 12.606 10.639 -13.962 1.00 0.00 H ATOM 1950 HD13 ILE B 26 13.541 9.557 -12.902 1.00 0.00 H ATOM 1951 HG21 ILE B 26 13.601 12.708 -16.858 1.00 0.00 H ATOM 1952 HG22 ILE B 26 13.261 10.960 -16.847 1.00 0.00 H ATOM 1953 HG23 ILE B 26 12.712 11.983 -15.497 1.00 0.00 H ATOM 1954 H ILE B 26 17.400 11.887 -15.105 1.00 0.00 H ATOM 1955 N ASP B 27 15.592 12.433 -18.738 1.00 9.70 N ATOM 1956 CA ASP B 27 15.566 13.632 -19.637 1.00 11.10 C ATOM 1957 C ASP B 27 14.266 14.433 -19.489 1.00 11.26 C ATOM 1958 O ASP B 27 13.324 14.064 -18.757 1.00 11.49 O ATOM 1959 CB ASP B 27 15.810 13.194 -21.117 1.00 11.91 C ATOM 1960 CG ASP B 27 14.703 12.386 -21.675 1.00 12.77 C ATOM 1961 OD1 ASP B 27 13.559 12.379 -21.244 1.00 13.25 O ATOM 1962 OD2 ASP B 27 14.917 11.773 -22.778 1.00 18.82 O ATOM 1963 HA ASP B 27 16.373 14.300 -19.337 1.00 0.00 H ATOM 1964 HB2 ASP B 27 15.929 14.089 -21.728 1.00 0.00 H ATOM 1965 HB3 ASP B 27 16.725 12.603 -21.158 1.00 0.00 H ATOM 1966 H ASP B 27 15.318 11.492 -19.087 1.00 0.00 H ATOM 1967 N LYS B 28 14.183 15.603 -20.158 1.00 11.57 N ATOM 1968 CA LYS B 28 13.001 16.448 -19.886 1.00 10.74 C ATOM 1969 C LYS B 28 11.653 15.869 -20.236 1.00 9.83 C ATOM 1970 O LYS B 28 10.718 15.899 -19.412 1.00 10.64 O ATOM 1971 CB LYS B 28 13.240 17.893 -20.528 1.00 10.19 C ATOM 1972 CG LYS B 28 12.044 18.777 -20.282 1.00 10.48 C ATOM 1973 CD LYS B 28 12.419 20.241 -20.669 1.00 9.44 C ATOM 1974 CE LYS B 28 11.270 21.072 -20.479 1.00 11.67 C ATOM 1975 NZ LYS B 28 11.679 22.501 -20.903 1.00 12.71 N ATOM 1976 HA LYS B 28 12.928 16.517 -18.801 1.00 0.00 H ATOM 1977 HB2 LYS B 28 14.122 18.347 -20.076 1.00 0.00 H ATOM 1978 HB3 LYS B 28 13.396 17.789 -21.602 1.00 0.00 H ATOM 1979 HG2 LYS B 28 11.206 18.439 -20.891 1.00 0.00 H ATOM 1980 HG3 LYS B 28 11.766 18.735 -19.229 1.00 0.00 H ATOM 1981 HD2 LYS B 28 13.234 20.591 -20.036 1.00 0.00 H ATOM 1982 HD3 LYS B 28 12.730 20.277 -21.713 1.00 0.00 H ATOM 1983 HE2 LYS B 28 10.968 21.063 -19.432 1.00 0.00 H ATOM 1984 HE3 LYS B 28 10.444 20.719 -21.097 1.00 0.00 H ATOM 1985 HZ1 LYS B 28 12.471 22.824 -20.311 1.00 0.00 H ATOM 1986 HZ2 LYS B 28 11.971 22.495 -21.901 1.00 0.00 H ATOM 1987 HZ3 LYS B 28 10.870 23.143 -20.781 1.00 0.00 H ATOM 1988 H LYS B 28 14.917 15.896 -20.834 1.00 0.00 H ATOM 1989 N PRO B 29 11.467 15.269 -21.445 1.00 10.59 N ATOM 1990 CA PRO B 29 10.109 14.729 -21.713 1.00 12.06 C ATOM 1991 C PRO B 29 9.742 13.572 -20.758 1.00 10.02 C ATOM 1992 O PRO B 29 8.580 13.506 -20.385 1.00 10.29 O ATOM 1993 CB PRO B 29 10.182 14.251 -23.211 1.00 14.78 C ATOM 1994 CG PRO B 29 11.445 14.906 -23.722 1.00 14.80 C ATOM 1995 CD PRO B 29 12.401 15.172 -22.600 1.00 12.15 C ATOM 1996 HA PRO B 29 9.329 15.473 -21.548 1.00 0.00 H ATOM 1997 HD3 PRO B 29 13.109 14.353 -22.475 1.00 0.00 H ATOM 1998 HD2 PRO B 29 12.948 16.103 -22.752 1.00 0.00 H ATOM 1999 HG3 PRO B 29 11.188 15.849 -24.204 1.00 0.00 H ATOM 2000 HG2 PRO B 29 11.921 14.247 -24.448 1.00 0.00 H ATOM 2001 HB2 PRO B 29 10.252 13.165 -23.272 1.00 0.00 H ATOM 2002 HB3 PRO B 29 9.311 14.589 -23.772 1.00 0.00 H ATOM 2003 N SER B 30 10.761 12.851 -20.305 1.00 10.64 N ATOM 2004 CA SER B 30 10.508 11.681 -19.405 1.00 10.38 C ATOM 2005 C SER B 30 10.151 12.249 -18.020 1.00 9.64 C ATOM 2006 O SER B 30 9.277 11.670 -17.326 1.00 9.29 O ATOM 2007 CB SER B 30 11.721 10.794 -19.297 1.00 12.02 C ATOM 2008 OG SER B 30 11.935 10.173 -20.647 1.00 17.36 O ATOM 2009 HA SER B 30 9.701 11.070 -19.808 1.00 0.00 H ATOM 2010 HB2 SER B 30 11.552 10.018 -18.551 1.00 0.00 H ATOM 2011 HB3 SER B 30 12.592 11.384 -19.014 1.00 0.00 H ATOM 2012 HG SER B 30 12.082 10.886 -21.318 1.00 0.00 H ATOM 2013 H SER B 30 11.734 13.099 -20.575 1.00 0.00 H ATOM 2014 N LEU B 31 10.787 13.346 -17.644 1.00 8.94 N ATOM 2015 CA LEU B 31 10.413 13.971 -16.303 1.00 10.34 C ATOM 2016 C LEU B 31 8.986 14.428 -16.326 1.00 11.07 C ATOM 2017 O LEU B 31 8.242 14.228 -15.321 1.00 9.44 O ATOM 2018 CB LEU B 31 11.421 15.055 -15.846 1.00 8.63 C ATOM 2019 CG LEU B 31 11.120 15.628 -14.436 1.00 7.66 C ATOM 2020 CD1 LEU B 31 11.868 14.709 -13.538 1.00 11.61 C ATOM 2021 CD2 LEU B 31 11.643 17.105 -14.295 1.00 8.23 C ATOM 2022 HA LEU B 31 10.486 13.205 -15.531 1.00 0.00 H ATOM 2023 HB2 LEU B 31 12.418 14.615 -15.834 1.00 0.00 H ATOM 2024 HB3 LEU B 31 11.395 15.875 -16.564 1.00 0.00 H ATOM 2025 HG LEU B 31 10.054 15.678 -14.213 1.00 0.00 H ATOM 2026 HD21 LEU B 31 12.721 17.124 -14.455 1.00 0.00 H ATOM 2027 HD22 LEU B 31 11.153 17.735 -15.038 1.00 0.00 H ATOM 2028 HD23 LEU B 31 11.416 17.476 -13.295 1.00 0.00 H ATOM 2029 HD11 LEU B 31 11.495 13.693 -13.667 1.00 0.00 H ATOM 2030 HD12 LEU B 31 12.928 14.742 -13.788 1.00 0.00 H ATOM 2031 HD13 LEU B 31 11.727 15.020 -12.503 1.00 0.00 H ATOM 2032 H LEU B 31 11.521 13.771 -18.245 1.00 0.00 H ATOM 2033 N LEU B 32 8.600 15.111 -17.411 1.00 10.43 N ATOM 2034 CA LEU B 32 7.259 15.563 -17.473 1.00 10.72 C ATOM 2035 C LEU B 32 6.210 14.418 -17.496 1.00 8.79 C ATOM 2036 O LEU B 32 5.182 14.523 -16.781 1.00 11.32 O ATOM 2037 CB LEU B 32 7.085 16.508 -18.716 1.00 11.06 C ATOM 2038 CG LEU B 32 8.087 17.664 -18.711 1.00 16.19 C ATOM 2039 CD1 LEU B 32 7.686 18.519 -20.005 1.00 15.64 C ATOM 2040 CD2 LEU B 32 8.222 18.481 -17.420 1.00 17.42 C ATOM 2041 HA LEU B 32 7.065 16.113 -16.552 1.00 0.00 H ATOM 2042 HB2 LEU B 32 7.229 15.923 -19.624 1.00 0.00 H ATOM 2043 HB3 LEU B 32 6.075 16.919 -18.706 1.00 0.00 H ATOM 2044 HG LEU B 32 9.105 17.277 -18.749 1.00 0.00 H ATOM 2045 HD21 LEU B 32 7.261 18.932 -17.175 1.00 0.00 H ATOM 2046 HD22 LEU B 32 8.535 17.825 -16.608 1.00 0.00 H ATOM 2047 HD23 LEU B 32 8.966 19.264 -17.563 1.00 0.00 H ATOM 2048 HD11 LEU B 32 7.778 17.895 -20.894 1.00 0.00 H ATOM 2049 HD12 LEU B 32 6.657 18.863 -19.907 1.00 0.00 H ATOM 2050 HD13 LEU B 32 8.351 19.378 -20.092 1.00 0.00 H ATOM 2051 H LEU B 32 9.266 15.304 -18.186 1.00 0.00 H ATOM 2052 N THR B 33 6.507 13.349 -18.208 1.00 11.29 N ATOM 2053 CA THR B 33 5.706 12.148 -18.186 1.00 12.28 C ATOM 2054 C THR B 33 5.600 11.572 -16.736 1.00 11.62 C ATOM 2055 O THR B 33 4.495 11.225 -16.295 1.00 11.18 O ATOM 2056 CB THR B 33 6.195 11.132 -19.179 1.00 14.79 C ATOM 2057 OG1 THR B 33 6.033 11.734 -20.520 1.00 15.20 O ATOM 2058 CG2 THR B 33 5.311 9.914 -19.080 1.00 14.59 C ATOM 2059 HA THR B 33 4.696 12.412 -18.498 1.00 0.00 H ATOM 2060 HB THR B 33 7.232 10.852 -18.996 1.00 0.00 H ATOM 2061 HG1 THR B 33 5.078 11.944 -20.673 1.00 0.00 H ATOM 2062 HG23 THR B 33 5.424 9.464 -18.094 1.00 0.00 H ATOM 2063 HG21 THR B 33 4.272 10.208 -19.230 1.00 0.00 H ATOM 2064 HG22 THR B 33 5.600 9.194 -19.845 1.00 0.00 H ATOM 2065 H THR B 33 7.354 13.372 -18.811 1.00 0.00 H ATOM 2066 N MET B 34 6.723 11.458 -16.100 1.00 10.90 N ATOM 2067 CA MET B 34 6.775 10.968 -14.686 1.00 7.57 C ATOM 2068 C MET B 34 5.833 11.773 -13.796 1.00 9.34 C ATOM 2069 O MET B 34 5.034 11.187 -13.015 1.00 9.25 O ATOM 2070 CB MET B 34 8.254 10.982 -14.142 1.00 8.86 C ATOM 2071 CG MET B 34 8.331 10.427 -12.746 1.00 10.65 C ATOM 2072 SD MET B 34 7.952 11.655 -11.405 1.00 16.17 S ATOM 2073 CE MET B 34 9.325 12.876 -11.630 1.00 13.63 C ATOM 2074 HA MET B 34 6.432 9.934 -14.667 1.00 0.00 H ATOM 2075 HB2 MET B 34 8.880 10.378 -14.799 1.00 0.00 H ATOM 2076 HB3 MET B 34 8.620 12.009 -14.136 1.00 0.00 H ATOM 2077 HG2 MET B 34 9.340 10.048 -12.585 1.00 0.00 H ATOM 2078 HG3 MET B 34 7.619 9.605 -12.666 1.00 0.00 H ATOM 2079 HE1 MET B 34 10.283 12.372 -11.498 1.00 0.00 H ATOM 2080 HE2 MET B 34 9.272 13.300 -12.633 1.00 0.00 H ATOM 2081 HE3 MET B 34 9.226 13.672 -10.892 1.00 0.00 H ATOM 2082 H MET B 34 7.608 11.713 -16.583 1.00 0.00 H ATOM 2083 N MET B 35 5.861 13.110 -13.943 1.00 9.61 N ATOM 2084 CA MET B 35 4.988 13.958 -13.122 1.00 11.18 C ATOM 2085 C MET B 35 3.517 13.717 -13.422 1.00 9.89 C ATOM 2086 O MET B 35 2.716 13.622 -12.529 1.00 9.75 O ATOM 2087 CB MET B 35 5.394 15.451 -13.292 1.00 11.80 C ATOM 2088 CG MET B 35 6.756 15.760 -12.689 1.00 10.51 C ATOM 2089 SD MET B 35 6.770 15.640 -10.872 1.00 13.95 S ATOM 2090 CE MET B 35 5.546 16.852 -10.391 1.00 14.90 C ATOM 2091 HA MET B 35 5.123 13.688 -12.075 1.00 0.00 H ATOM 2092 HB2 MET B 35 5.422 15.686 -14.356 1.00 0.00 H ATOM 2093 HB3 MET B 35 4.646 16.074 -12.802 1.00 0.00 H ATOM 2094 HG2 MET B 35 7.041 16.773 -12.973 1.00 0.00 H ATOM 2095 HG3 MET B 35 7.483 15.054 -13.090 1.00 0.00 H ATOM 2096 HE1 MET B 35 5.849 17.835 -10.752 1.00 0.00 H ATOM 2097 HE2 MET B 35 4.582 16.585 -10.825 1.00 0.00 H ATOM 2098 HE3 MET B 35 5.464 16.872 -9.304 1.00 0.00 H ATOM 2099 H MET B 35 6.501 13.543 -14.639 1.00 0.00 H ATOM 2100 N LYS B 36 3.173 13.672 -14.724 1.00 10.61 N ATOM 2101 CA LYS B 36 1.790 13.507 -15.087 1.00 10.53 C ATOM 2102 C LYS B 36 1.242 12.136 -14.584 1.00 11.47 C ATOM 2103 O LYS B 36 0.030 12.063 -14.230 1.00 13.63 O ATOM 2104 CB LYS B 36 1.729 13.503 -16.622 1.00 11.43 C ATOM 2105 CG LYS B 36 1.715 14.924 -17.150 1.00 16.68 C ATOM 2106 CD LYS B 36 1.828 14.881 -18.710 1.00 18.99 C ATOM 2107 CE LYS B 36 2.197 16.286 -19.345 1.00 29.79 C ATOM 2108 NZ LYS B 36 2.076 16.212 -20.915 1.00 29.39 N ATOM 2109 HA LYS B 36 1.196 14.307 -14.644 1.00 0.00 H ATOM 2110 HB2 LYS B 36 2.601 12.981 -17.016 1.00 0.00 H ATOM 2111 HB3 LYS B 36 0.823 12.990 -16.945 1.00 0.00 H ATOM 2112 HG2 LYS B 36 0.784 15.413 -16.863 1.00 0.00 H ATOM 2113 HG3 LYS B 36 2.558 15.478 -16.736 1.00 0.00 H ATOM 2114 HD2 LYS B 36 2.601 14.163 -18.983 1.00 0.00 H ATOM 2115 HD3 LYS B 36 0.871 14.556 -19.119 1.00 0.00 H ATOM 2116 HE2 LYS B 36 3.219 16.549 -19.073 1.00 0.00 H ATOM 2117 HE3 LYS B 36 1.514 17.046 -18.965 1.00 0.00 H ATOM 2118 HZ1 LYS B 36 2.729 15.488 -21.278 1.00 0.00 H ATOM 2119 HZ2 LYS B 36 1.100 15.962 -21.175 1.00 0.00 H ATOM 2120 HZ3 LYS B 36 2.319 17.137 -21.324 1.00 0.00 H ATOM 2121 H LYS B 36 3.902 13.756 -15.461 1.00 0.00 H ATOM 2122 N GLU B 37 2.083 11.104 -14.616 1.00 10.81 N ATOM 2123 CA GLU B 37 1.654 9.723 -14.287 1.00 11.54 C ATOM 2124 C GLU B 37 1.639 9.524 -12.796 1.00 12.62 C ATOM 2125 O GLU B 37 0.832 8.723 -12.296 1.00 14.89 O ATOM 2126 CB GLU B 37 2.621 8.743 -14.893 1.00 11.69 C ATOM 2127 CG GLU B 37 2.380 8.646 -16.427 1.00 13.55 C ATOM 2128 CD GLU B 37 3.264 7.596 -17.149 1.00 15.95 C ATOM 2129 OE1 GLU B 37 4.257 7.008 -16.677 1.00 17.06 O ATOM 2130 OE2 GLU B 37 2.842 7.321 -18.344 1.00 23.38 O ATOM 2131 HA GLU B 37 0.652 9.563 -14.685 1.00 0.00 H ATOM 2132 HB2 GLU B 37 3.641 9.079 -14.707 1.00 0.00 H ATOM 2133 HB3 GLU B 37 2.474 7.762 -14.440 1.00 0.00 H ATOM 2134 HG2 GLU B 37 1.335 8.384 -16.592 1.00 0.00 H ATOM 2135 HG3 GLU B 37 2.582 9.623 -16.867 1.00 0.00 H ATOM 2136 H GLU B 37 3.075 11.272 -14.881 1.00 0.00 H ATOM 2137 N ASN B 38 2.546 10.223 -12.101 1.00 8.59 N ATOM 2138 CA ASN B 38 2.691 9.903 -10.671 1.00 8.46 C ATOM 2139 C ASN B 38 2.243 10.992 -9.707 1.00 7.28 C ATOM 2140 O ASN B 38 1.963 10.693 -8.513 1.00 9.08 O ATOM 2141 CB ASN B 38 4.141 9.531 -10.330 1.00 9.13 C ATOM 2142 CG ASN B 38 4.545 8.242 -11.063 1.00 10.51 C ATOM 2143 OD1 ASN B 38 4.276 7.131 -10.597 1.00 11.70 O ATOM 2144 ND2 ASN B 38 5.150 8.408 -12.240 1.00 9.62 N ATOM 2145 HA ASN B 38 2.017 9.058 -10.530 1.00 0.00 H ATOM 2146 HB2 ASN B 38 4.802 10.342 -10.636 1.00 0.00 H ATOM 2147 HB3 ASN B 38 4.230 9.377 -9.255 1.00 0.00 H ATOM 2148 HD22 ASN B 38 5.355 9.366 -12.589 1.00 0.00 H ATOM 2149 HD21 ASN B 38 5.417 7.579 -12.809 1.00 0.00 H ATOM 2150 H ASN B 38 3.124 10.961 -12.552 1.00 0.00 H ATOM 2151 N PHE B 39 2.067 12.219 -10.223 1.00 9.46 N ATOM 2152 CA PHE B 39 1.583 13.289 -9.361 1.00 8.49 C ATOM 2153 C PHE B 39 0.393 14.061 -9.982 1.00 9.88 C ATOM 2154 O PHE B 39 0.336 15.321 -9.880 1.00 11.09 O ATOM 2155 CB PHE B 39 2.724 14.275 -9.009 1.00 10.84 C ATOM 2156 CG PHE B 39 3.804 13.612 -8.182 1.00 9.15 C ATOM 2157 CD1 PHE B 39 3.607 13.407 -6.794 1.00 11.02 C ATOM 2158 CD2 PHE B 39 4.969 13.146 -8.801 1.00 10.47 C ATOM 2159 CE1 PHE B 39 4.655 12.685 -6.039 1.00 10.95 C ATOM 2160 CE2 PHE B 39 5.965 12.482 -8.015 1.00 10.49 C ATOM 2161 CZ PHE B 39 5.744 12.255 -6.660 1.00 10.99 C ATOM 2162 HA PHE B 39 1.225 12.811 -8.449 1.00 0.00 H ATOM 2163 HB2 PHE B 39 3.166 14.648 -9.933 1.00 0.00 H ATOM 2164 HB3 PHE B 39 2.308 15.109 -8.444 1.00 0.00 H ATOM 2165 HD2 PHE B 39 5.117 13.287 -9.872 1.00 0.00 H ATOM 2166 HE2 PHE B 39 6.896 12.155 -8.478 1.00 0.00 H ATOM 2167 HZ PHE B 39 6.492 11.705 -6.090 1.00 0.00 H ATOM 2168 HE1 PHE B 39 4.531 12.507 -4.971 1.00 0.00 H ATOM 2169 HD1 PHE B 39 2.708 13.771 -6.296 1.00 0.00 H ATOM 2170 H PHE B 39 2.274 12.403 -11.225 1.00 0.00 H ATOM 2171 N PRO B 40 -0.562 13.287 -10.560 1.00 11.06 N ATOM 2172 CA PRO B 40 -1.643 14.009 -11.233 1.00 12.34 C ATOM 2173 C PRO B 40 -2.538 14.882 -10.296 1.00 13.69 C ATOM 2174 O PRO B 40 -3.077 15.936 -10.735 1.00 14.98 O ATOM 2175 CB PRO B 40 -2.396 12.883 -11.911 1.00 12.63 C ATOM 2176 CG PRO B 40 -2.315 11.690 -10.910 1.00 11.41 C ATOM 2177 CD PRO B 40 -0.786 11.839 -10.546 1.00 10.27 C ATOM 2178 HA PRO B 40 -1.271 14.770 -11.920 1.00 0.00 H ATOM 2179 HD3 PRO B 40 -0.579 11.423 -9.560 1.00 0.00 H ATOM 2180 HD2 PRO B 40 -0.160 11.342 -11.287 1.00 0.00 H ATOM 2181 HG3 PRO B 40 -2.539 10.734 -11.383 1.00 0.00 H ATOM 2182 HG2 PRO B 40 -2.964 11.827 -10.045 1.00 0.00 H ATOM 2183 HB2 PRO B 40 -3.434 13.166 -12.088 1.00 0.00 H ATOM 2184 HB3 PRO B 40 -1.925 12.622 -12.859 1.00 0.00 H ATOM 2185 N ASN B 41 -2.796 14.398 -9.075 1.00 11.27 N ATOM 2186 CA ASN B 41 -3.592 15.157 -8.154 1.00 13.13 C ATOM 2187 C ASN B 41 -2.867 16.400 -7.638 1.00 14.21 C ATOM 2188 O ASN B 41 -3.468 17.481 -7.501 1.00 13.24 O ATOM 2189 CB ASN B 41 -4.101 14.220 -7.014 1.00 13.03 C ATOM 2190 CG ASN B 41 -4.935 13.101 -7.575 1.00 16.53 C ATOM 2191 OD1 ASN B 41 -6.057 13.353 -8.160 1.00 18.66 O ATOM 2192 ND2 ASN B 41 -4.441 11.913 -7.534 1.00 13.84 N ATOM 2193 HA ASN B 41 -4.462 15.548 -8.681 1.00 0.00 H ATOM 2194 HB2 ASN B 41 -3.244 13.799 -6.488 1.00 0.00 H ATOM 2195 HB3 ASN B 41 -4.704 14.801 -6.316 1.00 0.00 H ATOM 2196 HD22 ASN B 41 -3.534 11.743 -7.054 1.00 0.00 H ATOM 2197 HD21 ASN B 41 -4.949 11.123 -7.981 1.00 0.00 H ATOM 2198 H ASN B 41 -2.419 13.471 -8.794 1.00 0.00 H ATOM 2199 N PHE B 42 -1.537 16.268 -7.380 1.00 11.08 N ATOM 2200 CA PHE B 42 -0.756 17.390 -7.014 1.00 11.47 C ATOM 2201 C PHE B 42 -0.786 18.435 -8.189 1.00 11.48 C ATOM 2202 O PHE B 42 -0.936 19.632 -7.978 1.00 12.90 O ATOM 2203 CB PHE B 42 0.711 16.873 -6.852 1.00 11.56 C ATOM 2204 CG PHE B 42 1.705 17.994 -6.673 1.00 13.83 C ATOM 2205 CD1 PHE B 42 1.874 18.628 -5.433 1.00 16.66 C ATOM 2206 CD2 PHE B 42 2.512 18.365 -7.753 1.00 14.26 C ATOM 2207 CE1 PHE B 42 2.782 19.709 -5.282 1.00 20.34 C ATOM 2208 CE2 PHE B 42 3.506 19.456 -7.573 1.00 13.04 C ATOM 2209 CZ PHE B 42 3.610 20.073 -6.334 1.00 14.05 C ATOM 2210 HA PHE B 42 -1.128 17.855 -6.101 1.00 0.00 H ATOM 2211 HB2 PHE B 42 0.758 16.222 -5.979 1.00 0.00 H ATOM 2212 HB3 PHE B 42 0.982 16.305 -7.742 1.00 0.00 H ATOM 2213 HD2 PHE B 42 2.414 17.861 -8.714 1.00 0.00 H ATOM 2214 HE2 PHE B 42 4.143 19.766 -8.401 1.00 0.00 H ATOM 2215 HZ PHE B 42 4.354 20.856 -6.185 1.00 0.00 H ATOM 2216 HE1 PHE B 42 2.829 20.253 -4.339 1.00 0.00 H ATOM 2217 HD1 PHE B 42 1.299 18.285 -4.572 1.00 0.00 H ATOM 2218 H PHE B 42 -1.090 15.332 -7.453 1.00 0.00 H ATOM 2219 N LEU B 43 -0.654 17.960 -9.423 1.00 11.19 N ATOM 2220 CA LEU B 43 -0.590 18.841 -10.625 1.00 13.05 C ATOM 2221 C LEU B 43 -1.977 19.509 -10.819 1.00 14.54 C ATOM 2222 O LEU B 43 -2.041 20.726 -11.093 1.00 15.47 O ATOM 2223 CB LEU B 43 -0.241 18.068 -11.920 1.00 15.17 C ATOM 2224 CG LEU B 43 1.245 17.658 -12.048 1.00 12.99 C ATOM 2225 CD1 LEU B 43 1.462 16.928 -13.395 1.00 14.03 C ATOM 2226 CD2 LEU B 43 2.180 18.991 -11.874 1.00 13.74 C ATOM 2227 HA LEU B 43 0.199 19.573 -10.452 1.00 0.00 H ATOM 2228 HB2 LEU B 43 -0.847 17.162 -11.949 1.00 0.00 H ATOM 2229 HB3 LEU B 43 -0.494 18.700 -12.771 1.00 0.00 H ATOM 2230 HG LEU B 43 1.532 16.958 -11.263 1.00 0.00 H ATOM 2231 HD21 LEU B 43 1.928 19.714 -12.650 1.00 0.00 H ATOM 2232 HD22 LEU B 43 2.002 19.433 -10.893 1.00 0.00 H ATOM 2233 HD23 LEU B 43 3.230 18.711 -11.963 1.00 0.00 H ATOM 2234 HD11 LEU B 43 0.834 16.038 -13.430 1.00 0.00 H ATOM 2235 HD12 LEU B 43 1.196 17.595 -14.215 1.00 0.00 H ATOM 2236 HD13 LEU B 43 2.509 16.639 -13.486 1.00 0.00 H ATOM 2237 H LEU B 43 -0.593 16.930 -9.556 1.00 0.00 H ATOM 2238 N SER B 44 -3.026 18.779 -10.536 1.00 15.83 N ATOM 2239 CA SER B 44 -4.415 19.375 -10.636 1.00 17.05 C ATOM 2240 C SER B 44 -4.605 20.468 -9.621 1.00 18.60 C ATOM 2241 O SER B 44 -5.241 21.545 -9.951 1.00 20.49 O ATOM 2242 CB SER B 44 -5.452 18.264 -10.432 1.00 18.56 C ATOM 2243 OG SER B 44 -6.764 18.805 -10.483 1.00 29.81 O ATOM 2244 HA SER B 44 -4.544 19.817 -11.624 1.00 0.00 H ATOM 2245 HB2 SER B 44 -5.292 17.796 -9.461 1.00 0.00 H ATOM 2246 HB3 SER B 44 -5.339 17.517 -11.217 1.00 0.00 H ATOM 2247 HG SER B 44 -7.424 18.079 -10.350 1.00 0.00 H ATOM 2248 H SER B 44 -2.906 17.789 -10.242 1.00 0.00 H ATOM 2249 N ALA B 45 -4.065 20.291 -8.392 1.00 14.59 N ATOM 2250 CA ALA B 45 -4.268 21.305 -7.361 1.00 15.48 C ATOM 2251 C ALA B 45 -3.482 22.569 -7.785 1.00 16.91 C ATOM 2252 O ALA B 45 -3.998 23.711 -7.603 1.00 19.29 O ATOM 2253 CB ALA B 45 -3.807 20.786 -6.055 1.00 14.26 C ATOM 2254 HA ALA B 45 -5.323 21.557 -7.254 1.00 0.00 H ATOM 2255 HB1 ALA B 45 -4.375 19.891 -5.800 1.00 0.00 H ATOM 2256 HB2 ALA B 45 -2.747 20.540 -6.117 1.00 0.00 H ATOM 2257 HB3 ALA B 45 -3.960 21.546 -5.289 1.00 0.00 H ATOM 2258 H ALA B 45 -3.509 19.437 -8.183 1.00 0.00 H ATOM 2259 N CYS B 46 -2.282 22.375 -8.409 1.00 17.06 N ATOM 2260 CA CYS B 46 -1.511 23.493 -8.907 1.00 16.13 C ATOM 2261 C CYS B 46 -2.286 24.250 -9.992 1.00 18.33 C ATOM 2262 O CYS B 46 -2.380 25.494 -9.942 1.00 19.79 O ATOM 2263 CB CYS B 46 -0.176 23.023 -9.498 1.00 17.12 C ATOM 2264 SG CYS B 46 1.022 22.631 -8.179 1.00 20.66 S ATOM 2265 HA CYS B 46 -1.321 24.154 -8.062 1.00 0.00 H ATOM 2266 HB2 CYS B 46 0.233 23.813 -10.128 1.00 0.00 H ATOM 2267 HB3 CYS B 46 -0.347 22.131 -10.101 1.00 0.00 H ATOM 2268 H CYS B 46 -1.917 21.408 -8.528 1.00 0.00 H ATOM 2269 N ASP B 47 -2.802 23.523 -10.977 1.00 19.50 N ATOM 2270 CA ASP B 47 -3.565 24.128 -12.113 1.00 23.05 C ATOM 2271 C ASP B 47 -4.704 24.956 -11.569 1.00 24.99 C ATOM 2272 O ASP B 47 -4.973 26.039 -12.122 1.00 25.73 O ATOM 2273 CB ASP B 47 -4.214 23.045 -12.994 1.00 23.13 C ATOM 2274 CG ASP B 47 -3.227 22.297 -13.821 1.00 31.54 C ATOM 2275 OD1 ASP B 47 -2.087 22.807 -14.039 1.00 32.65 O ATOM 2276 OD2 ASP B 47 -3.640 21.223 -14.318 1.00 35.30 O ATOM 2277 HA ASP B 47 -2.858 24.721 -12.694 1.00 0.00 H ATOM 2278 HB2 ASP B 47 -4.733 22.337 -12.348 1.00 0.00 H ATOM 2279 HB3 ASP B 47 -4.933 23.523 -13.659 1.00 0.00 H ATOM 2280 H ASP B 47 -2.670 22.492 -10.958 1.00 0.00 H ATOM 2281 N LYS B 48 -5.391 24.450 -10.531 1.00 24.95 N ATOM 2282 CA LYS B 48 -6.591 25.122 -10.026 1.00 27.79 C ATOM 2283 C LYS B 48 -6.251 26.492 -9.494 1.00 28.03 C ATOM 2284 O LYS B 48 -7.153 27.371 -9.498 1.00 29.37 O ATOM 2285 CB LYS B 48 -7.273 24.349 -8.919 1.00 27.84 C ATOM 2286 CG LYS B 48 -8.297 23.313 -9.402 1.00 36.42 C ATOM 2287 CD LYS B 48 -9.121 22.861 -8.181 1.00 43.53 C ATOM 2288 CE LYS B 48 -9.191 21.299 -8.039 1.00 47.53 C ATOM 2289 NZ LYS B 48 -9.015 20.524 -9.307 1.00 50.44 N ATOM 2290 HA LYS B 48 -7.272 25.193 -10.874 1.00 0.00 H ATOM 2291 HB2 LYS B 48 -6.506 23.828 -8.345 1.00 0.00 H ATOM 2292 HB3 LYS B 48 -7.787 25.061 -8.274 1.00 0.00 H ATOM 2293 HG2 LYS B 48 -8.954 23.760 -10.148 1.00 0.00 H ATOM 2294 HG3 LYS B 48 -7.782 22.458 -9.839 1.00 0.00 H ATOM 2295 HD2 LYS B 48 -8.665 23.273 -7.281 1.00 0.00 H ATOM 2296 HD3 LYS B 48 -10.135 23.248 -8.282 1.00 0.00 H ATOM 2297 HE2 LYS B 48 -10.165 21.044 -7.622 1.00 0.00 H ATOM 2298 HE3 LYS B 48 -8.409 20.990 -7.346 1.00 0.00 H ATOM 2299 HZ1 LYS B 48 -9.761 20.790 -9.981 1.00 0.00 H ATOM 2300 HZ2 LYS B 48 -8.084 20.739 -9.717 1.00 0.00 H ATOM 2301 HZ3 LYS B 48 -9.078 19.506 -9.102 1.00 0.00 H ATOM 2302 H LYS B 48 -5.067 23.570 -10.080 1.00 0.00 H ATOM 2303 N LYS B 49 -4.989 26.674 -9.029 1.00 27.29 N ATOM 2304 CA LYS B 49 -4.457 27.914 -8.467 1.00 27.60 C ATOM 2305 C LYS B 49 -3.729 28.788 -9.507 1.00 27.19 C ATOM 2306 O LYS B 49 -3.112 29.807 -9.103 1.00 29.39 O ATOM 2307 CB LYS B 49 -3.455 27.600 -7.339 1.00 28.59 C ATOM 2308 CG LYS B 49 -4.072 27.169 -6.037 1.00 33.67 C ATOM 2309 CD LYS B 49 -4.732 28.406 -5.283 1.00 43.03 C ATOM 2310 CE LYS B 49 -5.435 27.970 -4.016 1.00 44.56 C ATOM 2311 NZ LYS B 49 -4.572 26.836 -3.536 1.00 47.21 N ATOM 2312 HA LYS B 49 -5.320 28.466 -8.095 1.00 0.00 H ATOM 2313 HB2 LYS B 49 -2.799 26.800 -7.683 1.00 0.00 H ATOM 2314 HB3 LYS B 49 -2.865 28.497 -7.152 1.00 0.00 H ATOM 2315 HG2 LYS B 49 -4.840 26.421 -6.236 1.00 0.00 H ATOM 2316 HG3 LYS B 49 -3.300 26.735 -5.402 1.00 0.00 H ATOM 2317 HD2 LYS B 49 -3.952 29.123 -5.027 1.00 0.00 H ATOM 2318 HD3 LYS B 49 -5.456 28.880 -5.945 1.00 0.00 H ATOM 2319 HE2 LYS B 49 -6.450 27.631 -4.225 1.00 0.00 H ATOM 2320 HE3 LYS B 49 -5.466 28.778 -3.285 1.00 0.00 H ATOM 2321 HZ1 LYS B 49 -4.547 26.090 -4.260 1.00 0.00 H ATOM 2322 HZ2 LYS B 49 -3.608 27.185 -3.363 1.00 0.00 H ATOM 2323 HZ3 LYS B 49 -4.966 26.451 -2.654 1.00 0.00 H ATOM 2324 H LYS B 49 -4.344 25.860 -9.077 1.00 0.00 H ATOM 2325 N GLY B 50 -3.770 28.376 -10.789 1.00 25.11 N ATOM 2326 CA GLY B 50 -3.197 29.131 -11.899 1.00 24.25 C ATOM 2327 C GLY B 50 -1.702 28.915 -12.071 1.00 24.23 C ATOM 2328 O GLY B 50 -1.028 29.772 -12.649 1.00 25.56 O ATOM 2329 HA3 GLY B 50 -3.375 30.192 -11.723 1.00 0.00 H ATOM 2330 HA2 GLY B 50 -3.698 28.827 -12.818 1.00 0.00 H ATOM 2331 H GLY B 50 -4.236 27.470 -10.999 1.00 0.00 H ATOM 2332 N THR B 51 -1.193 27.759 -11.621 1.00 20.83 N ATOM 2333 CA THR B 51 0.250 27.415 -11.738 1.00 18.50 C ATOM 2334 C THR B 51 0.390 26.182 -12.581 1.00 18.05 C ATOM 2335 O THR B 51 -0.214 25.133 -12.281 1.00 18.46 O ATOM 2336 CB THR B 51 0.880 27.175 -10.335 1.00 20.42 C ATOM 2337 OG1 THR B 51 0.893 28.411 -9.575 1.00 21.98 O ATOM 2338 CG2 THR B 51 2.342 26.540 -10.402 1.00 19.43 C ATOM 2339 HA THR B 51 0.777 28.247 -12.205 1.00 0.00 H ATOM 2340 HB THR B 51 0.252 26.442 -9.829 1.00 0.00 H ATOM 2341 HG1 THR B 51 1.295 28.246 -8.686 1.00 0.00 H ATOM 2342 HG23 THR B 51 2.309 25.614 -10.976 1.00 0.00 H ATOM 2343 HG21 THR B 51 3.021 27.244 -10.884 1.00 0.00 H ATOM 2344 HG22 THR B 51 2.692 26.330 -9.391 1.00 0.00 H ATOM 2345 H THR B 51 -1.834 27.074 -11.171 1.00 0.00 H ATOM 2346 N ASN B 52 1.153 26.264 -13.655 1.00 16.28 N ATOM 2347 CA ASN B 52 1.416 25.115 -14.503 1.00 15.98 C ATOM 2348 C ASN B 52 2.770 24.636 -14.057 1.00 16.18 C ATOM 2349 O ASN B 52 3.806 25.131 -14.494 1.00 15.69 O ATOM 2350 CB ASN B 52 1.478 25.431 -15.977 1.00 20.58 C ATOM 2351 CG ASN B 52 1.648 24.202 -16.832 1.00 23.38 C ATOM 2352 OD1 ASN B 52 1.100 24.205 -17.985 1.00 33.53 O ATOM 2353 ND2 ASN B 52 2.354 23.078 -16.336 1.00 24.04 N ATOM 2354 HA ASN B 52 0.608 24.390 -14.401 1.00 0.00 H ATOM 2355 HB2 ASN B 52 0.553 25.931 -16.265 1.00 0.00 H ATOM 2356 HB3 ASN B 52 2.321 26.099 -16.155 1.00 0.00 H ATOM 2357 HD22 ASN B 52 2.788 23.112 -15.391 1.00 0.00 H ATOM 2358 HD21 ASN B 52 2.438 22.219 -16.917 1.00 0.00 H ATOM 2359 H ASN B 52 1.579 27.180 -13.902 1.00 0.00 H ATOM 2360 N TYR B 53 2.764 23.676 -13.115 1.00 13.16 N ATOM 2361 CA TYR B 53 4.062 23.277 -12.569 1.00 12.23 C ATOM 2362 C TYR B 53 5.055 22.674 -13.562 1.00 11.16 C ATOM 2363 O TYR B 53 6.281 22.712 -13.261 1.00 13.17 O ATOM 2364 CB TYR B 53 3.711 22.163 -11.481 1.00 12.76 C ATOM 2365 CG TYR B 53 4.720 21.926 -10.403 1.00 13.27 C ATOM 2366 CD1 TYR B 53 4.660 22.681 -9.227 1.00 12.38 C ATOM 2367 CD2 TYR B 53 5.680 20.842 -10.519 1.00 15.00 C ATOM 2368 CE1 TYR B 53 5.573 22.433 -8.182 1.00 14.77 C ATOM 2369 CE2 TYR B 53 6.594 20.599 -9.468 1.00 12.23 C ATOM 2370 CZ TYR B 53 6.538 21.382 -8.320 1.00 14.30 C ATOM 2371 OH TYR B 53 7.437 21.213 -7.241 1.00 18.46 O ATOM 2372 HA TYR B 53 4.561 24.172 -12.197 1.00 0.00 H ATOM 2373 HB3 TYR B 53 3.566 21.221 -12.009 1.00 0.00 H ATOM 2374 HB2 TYR B 53 2.778 22.455 -11.000 1.00 0.00 H ATOM 2375 HD2 TYR B 53 5.696 20.218 -11.413 1.00 0.00 H ATOM 2376 HE2 TYR B 53 7.336 19.805 -9.557 1.00 0.00 H ATOM 2377 HE1 TYR B 53 5.545 23.037 -7.275 1.00 0.00 H ATOM 2378 HD1 TYR B 53 3.907 23.461 -9.119 1.00 0.00 H ATOM 2379 HH TYR B 53 7.224 21.868 -6.530 1.00 0.00 H ATOM 2380 H TYR B 53 1.879 23.238 -12.790 1.00 0.00 H ATOM 2381 N LEU B 54 4.585 22.075 -14.690 1.00 9.81 N ATOM 2382 CA LEU B 54 5.478 21.417 -15.624 1.00 10.22 C ATOM 2383 C LEU B 54 6.173 22.477 -16.515 1.00 9.74 C ATOM 2384 O LEU B 54 7.069 22.134 -17.231 1.00 13.51 O ATOM 2385 CB LEU B 54 4.712 20.427 -16.455 1.00 12.13 C ATOM 2386 CG LEU B 54 3.987 19.346 -15.642 1.00 16.22 C ATOM 2387 CD1 LEU B 54 3.467 18.239 -16.586 1.00 18.43 C ATOM 2388 CD2 LEU B 54 4.902 18.708 -14.601 1.00 18.91 C ATOM 2389 HA LEU B 54 6.247 20.873 -15.075 1.00 0.00 H ATOM 2390 HB2 LEU B 54 3.969 20.972 -17.037 1.00 0.00 H ATOM 2391 HB3 LEU B 54 5.411 19.935 -17.131 1.00 0.00 H ATOM 2392 HG LEU B 54 3.158 19.831 -15.126 1.00 0.00 H ATOM 2393 HD21 LEU B 54 5.753 18.246 -15.101 1.00 0.00 H ATOM 2394 HD22 LEU B 54 5.256 19.475 -13.912 1.00 0.00 H ATOM 2395 HD23 LEU B 54 4.348 17.949 -14.049 1.00 0.00 H ATOM 2396 HD11 LEU B 54 2.774 18.674 -17.306 1.00 0.00 H ATOM 2397 HD12 LEU B 54 4.308 17.789 -17.114 1.00 0.00 H ATOM 2398 HD13 LEU B 54 2.954 17.476 -16.001 1.00 0.00 H ATOM 2399 H LEU B 54 3.564 22.089 -14.886 1.00 0.00 H ATOM 2400 N ALA B 55 5.669 23.699 -16.510 1.00 10.86 N ATOM 2401 CA ALA B 55 6.332 24.687 -17.437 1.00 10.47 C ATOM 2402 C ALA B 55 7.808 24.860 -17.048 1.00 10.09 C ATOM 2403 O ALA B 55 8.698 25.015 -17.953 1.00 12.46 O ATOM 2404 CB ALA B 55 5.575 26.030 -17.375 1.00 9.01 C ATOM 2405 HA ALA B 55 6.297 24.317 -18.462 1.00 0.00 H ATOM 2406 HB1 ALA B 55 4.541 25.877 -17.683 1.00 0.00 H ATOM 2407 HB2 ALA B 55 5.599 26.413 -16.355 1.00 0.00 H ATOM 2408 HB3 ALA B 55 6.052 26.746 -18.044 1.00 0.00 H ATOM 2409 H ALA B 55 4.865 23.963 -15.905 1.00 0.00 H ATOM 2410 N ASP B 56 8.074 24.966 -15.725 1.00 9.84 N ATOM 2411 CA ASP B 56 9.434 25.258 -15.260 1.00 8.63 C ATOM 2412 C ASP B 56 10.155 24.235 -14.409 1.00 8.31 C ATOM 2413 O ASP B 56 11.338 24.470 -14.075 1.00 9.37 O ATOM 2414 CB ASP B 56 9.452 26.591 -14.474 1.00 9.16 C ATOM 2415 CG ASP B 56 8.655 26.515 -13.163 1.00 14.07 C ATOM 2416 OD1 ASP B 56 7.738 25.642 -13.082 1.00 12.38 O ATOM 2417 OD2 ASP B 56 8.901 27.368 -12.277 1.00 13.28 O ATOM 2418 HA ASP B 56 9.983 25.275 -16.201 1.00 0.00 H ATOM 2419 HB2 ASP B 56 10.486 26.845 -14.240 1.00 0.00 H ATOM 2420 HB3 ASP B 56 9.020 27.372 -15.100 1.00 0.00 H ATOM 2421 H ASP B 56 7.308 24.839 -15.033 1.00 0.00 H ATOM 2422 N VAL B 57 9.452 23.111 -14.158 1.00 8.37 N ATOM 2423 CA VAL B 57 10.103 22.181 -13.175 1.00 8.00 C ATOM 2424 C VAL B 57 11.444 21.701 -13.619 1.00 7.30 C ATOM 2425 O VAL B 57 12.432 21.607 -12.790 1.00 8.03 O ATOM 2426 CB VAL B 57 9.089 21.047 -12.808 1.00 7.64 C ATOM 2427 CG1 VAL B 57 8.797 20.195 -14.020 1.00 9.18 C ATOM 2428 CG2 VAL B 57 9.708 20.125 -11.682 1.00 9.69 C ATOM 2429 HA VAL B 57 10.336 22.726 -12.260 1.00 0.00 H ATOM 2430 HB VAL B 57 8.167 21.508 -12.454 1.00 0.00 H ATOM 2431 HG11 VAL B 57 8.368 20.817 -14.805 1.00 0.00 H ATOM 2432 HG12 VAL B 57 9.723 19.744 -14.377 1.00 0.00 H ATOM 2433 HG13 VAL B 57 8.090 19.411 -13.749 1.00 0.00 H ATOM 2434 HG21 VAL B 57 10.634 19.680 -12.047 1.00 0.00 H ATOM 2435 HG22 VAL B 57 9.917 20.725 -10.797 1.00 0.00 H ATOM 2436 HG23 VAL B 57 8.999 19.337 -11.429 1.00 0.00 H ATOM 2437 H VAL B 57 8.537 22.906 -14.607 1.00 0.00 H ATOM 2438 N PHE B 58 11.603 21.373 -14.925 1.00 8.18 N ATOM 2439 CA PHE B 58 12.890 20.855 -15.345 1.00 8.85 C ATOM 2440 C PHE B 58 14.031 21.901 -15.193 1.00 7.86 C ATOM 2441 O PHE B 58 15.129 21.588 -14.690 1.00 9.69 O ATOM 2442 CB PHE B 58 12.768 20.392 -16.821 1.00 7.94 C ATOM 2443 CG PHE B 58 13.997 19.663 -17.285 1.00 10.13 C ATOM 2444 CD1 PHE B 58 14.117 18.304 -17.090 1.00 10.14 C ATOM 2445 CD2 PHE B 58 15.068 20.370 -17.872 1.00 10.02 C ATOM 2446 CE1 PHE B 58 15.240 17.571 -17.478 1.00 10.79 C ATOM 2447 CE2 PHE B 58 16.313 19.677 -18.241 1.00 13.07 C ATOM 2448 CZ PHE B 58 16.387 18.220 -18.042 1.00 13.56 C ATOM 2449 HA PHE B 58 13.157 20.018 -14.700 1.00 0.00 H ATOM 2450 HB2 PHE B 58 11.909 19.727 -16.912 1.00 0.00 H ATOM 2451 HB3 PHE B 58 12.618 21.267 -17.453 1.00 0.00 H ATOM 2452 HD2 PHE B 58 14.972 21.440 -18.054 1.00 0.00 H ATOM 2453 HE2 PHE B 58 17.159 20.229 -18.651 1.00 0.00 H ATOM 2454 HZ PHE B 58 17.280 17.656 -18.313 1.00 0.00 H ATOM 2455 HE1 PHE B 58 15.245 16.489 -17.350 1.00 0.00 H ATOM 2456 HD1 PHE B 58 13.294 17.775 -16.609 1.00 0.00 H ATOM 2457 H PHE B 58 10.825 21.490 -15.605 1.00 0.00 H ATOM 2458 N GLU B 59 13.727 23.159 -15.557 1.00 10.09 N ATOM 2459 CA GLU B 59 14.742 24.166 -15.437 1.00 8.32 C ATOM 2460 C GLU B 59 15.085 24.589 -13.993 1.00 8.82 C ATOM 2461 O GLU B 59 16.247 24.864 -13.670 1.00 9.67 O ATOM 2462 CB GLU B 59 14.278 25.406 -16.201 1.00 9.47 C ATOM 2463 CG GLU B 59 14.306 25.124 -17.761 1.00 10.81 C ATOM 2464 CD GLU B 59 13.251 24.189 -18.263 1.00 9.08 C ATOM 2465 OE1 GLU B 59 12.049 24.269 -17.736 1.00 10.33 O ATOM 2466 OE2 GLU B 59 13.592 23.393 -19.231 1.00 12.58 O ATOM 2467 HA GLU B 59 15.652 23.724 -15.843 1.00 0.00 H ATOM 2468 HB2 GLU B 59 13.262 25.658 -15.898 1.00 0.00 H ATOM 2469 HB3 GLU B 59 14.941 26.240 -15.973 1.00 0.00 H ATOM 2470 HG2 GLU B 59 14.185 26.076 -18.277 1.00 0.00 H ATOM 2471 HG3 GLU B 59 15.278 24.699 -18.009 1.00 0.00 H ATOM 2472 H GLU B 59 12.780 23.396 -15.916 1.00 0.00 H ATOM 2473 N LYS B 60 14.069 24.508 -13.152 1.00 8.44 N ATOM 2474 CA LYS B 60 14.317 24.701 -11.769 1.00 8.69 C ATOM 2475 C LYS B 60 15.177 23.614 -11.089 1.00 8.09 C ATOM 2476 O LYS B 60 15.935 23.939 -10.112 1.00 10.26 O ATOM 2477 CB LYS B 60 13.002 24.864 -11.011 1.00 9.81 C ATOM 2478 CG LYS B 60 12.158 26.156 -11.406 1.00 9.40 C ATOM 2479 CD LYS B 60 12.951 27.440 -11.014 1.00 11.26 C ATOM 2480 CE LYS B 60 11.970 28.633 -10.839 1.00 10.91 C ATOM 2481 NZ LYS B 60 11.075 28.859 -11.975 1.00 11.00 N ATOM 2482 HA LYS B 60 14.913 25.613 -11.722 1.00 0.00 H ATOM 2483 HB2 LYS B 60 12.387 23.985 -11.205 1.00 0.00 H ATOM 2484 HB3 LYS B 60 13.229 24.919 -9.946 1.00 0.00 H ATOM 2485 HG2 LYS B 60 11.976 26.156 -12.481 1.00 0.00 H ATOM 2486 HG3 LYS B 60 11.205 26.143 -10.877 1.00 0.00 H ATOM 2487 HD2 LYS B 60 13.481 27.266 -10.077 1.00 0.00 H ATOM 2488 HD3 LYS B 60 13.670 27.675 -11.799 1.00 0.00 H ATOM 2489 HE2 LYS B 60 12.559 29.537 -10.685 1.00 0.00 H ATOM 2490 HE3 LYS B 60 11.359 28.444 -9.957 1.00 0.00 H ATOM 2491 HZ1 LYS B 60 11.640 29.055 -12.826 1.00 0.00 H ATOM 2492 HZ2 LYS B 60 10.494 28.011 -12.131 1.00 0.00 H ATOM 2493 HZ3 LYS B 60 10.458 29.671 -11.772 1.00 0.00 H ATOM 2494 H LYS B 60 13.109 24.307 -13.497 1.00 0.00 H ATOM 2495 N LYS B 61 14.942 22.356 -11.519 1.00 8.22 N ATOM 2496 CA LYS B 61 15.544 21.268 -10.739 1.00 9.04 C ATOM 2497 C LYS B 61 16.835 20.740 -11.359 1.00 7.82 C ATOM 2498 O LYS B 61 17.568 19.979 -10.714 1.00 9.82 O ATOM 2499 CB LYS B 61 14.591 20.116 -10.598 1.00 8.63 C ATOM 2500 CG LYS B 61 13.344 20.615 -9.763 1.00 10.59 C ATOM 2501 CD LYS B 61 13.642 21.482 -8.468 1.00 13.52 C ATOM 2502 CE LYS B 61 14.384 20.611 -7.494 1.00 13.02 C ATOM 2503 NZ LYS B 61 14.409 21.695 -6.296 1.00 14.35 N ATOM 2504 HA LYS B 61 15.774 21.698 -9.764 1.00 0.00 H ATOM 2505 HB2 LYS B 61 14.267 19.780 -11.583 1.00 0.00 H ATOM 2506 HB3 LYS B 61 15.080 19.292 -10.078 1.00 0.00 H ATOM 2507 HG2 LYS B 61 12.724 21.218 -10.427 1.00 0.00 H ATOM 2508 HG3 LYS B 61 12.786 19.734 -9.447 1.00 0.00 H ATOM 2509 HD2 LYS B 61 14.251 22.346 -8.732 1.00 0.00 H ATOM 2510 HD3 LYS B 61 12.706 21.821 -8.025 1.00 0.00 H ATOM 2511 HE2 LYS B 61 15.381 20.342 -7.842 1.00 0.00 H ATOM 2512 HE3 LYS B 61 13.835 19.706 -7.234 1.00 0.00 H ATOM 2513 HZ1 LYS B 61 14.910 22.549 -6.614 1.00 0.00 H ATOM 2514 HZ2 LYS B 61 13.434 21.941 -6.033 1.00 0.00 H ATOM 2515 HZ3 LYS B 61 14.900 21.290 -5.473 1.00 0.00 H ATOM 2516 H LYS B 61 14.363 22.167 -12.362 1.00 0.00 H ATOM 2517 N ASP B 62 17.064 21.089 -12.646 1.00 9.22 N ATOM 2518 CA ASP B 62 18.335 20.733 -13.285 1.00 9.96 C ATOM 2519 C ASP B 62 19.463 21.645 -12.830 1.00 11.09 C ATOM 2520 O ASP B 62 19.866 22.591 -13.528 1.00 9.69 O ATOM 2521 CB ASP B 62 18.200 20.666 -14.825 1.00 9.61 C ATOM 2522 CG ASP B 62 19.535 20.306 -15.510 1.00 11.34 C ATOM 2523 OD1 ASP B 62 20.470 19.711 -14.877 1.00 9.16 O ATOM 2524 OD2 ASP B 62 19.584 20.792 -16.685 1.00 10.25 O ATOM 2525 HA ASP B 62 18.602 19.728 -12.958 1.00 0.00 H ATOM 2526 HB2 ASP B 62 17.458 19.909 -15.080 1.00 0.00 H ATOM 2527 HB3 ASP B 62 17.867 21.637 -15.191 1.00 0.00 H ATOM 2528 H ASP B 62 16.340 21.609 -13.181 1.00 0.00 H ATOM 2529 N LYS B 63 19.948 21.425 -11.619 1.00 8.47 N ATOM 2530 CA LYS B 63 20.786 22.415 -10.883 1.00 12.35 C ATOM 2531 C LYS B 63 22.108 22.604 -11.628 1.00 11.92 C ATOM 2532 O LYS B 63 22.592 23.745 -11.748 1.00 14.07 O ATOM 2533 CB LYS B 63 20.985 21.897 -9.470 1.00 13.37 C ATOM 2534 CG LYS B 63 21.823 22.815 -8.600 1.00 18.74 C ATOM 2535 CD LYS B 63 21.838 22.175 -7.201 1.00 22.33 C ATOM 2536 CE LYS B 63 22.966 22.709 -6.287 1.00 29.88 C ATOM 2537 NZ LYS B 63 22.502 24.035 -5.838 1.00 39.03 N ATOM 2538 HA LYS B 63 20.305 23.392 -10.828 1.00 0.00 H ATOM 2539 HB2 LYS B 63 20.006 21.779 -9.005 1.00 0.00 H ATOM 2540 HB3 LYS B 63 21.479 20.927 -9.524 1.00 0.00 H ATOM 2541 HG2 LYS B 63 22.837 22.890 -8.994 1.00 0.00 H ATOM 2542 HG3 LYS B 63 21.377 23.809 -8.558 1.00 0.00 H ATOM 2543 HD2 LYS B 63 20.881 22.375 -6.720 1.00 0.00 H ATOM 2544 HD3 LYS B 63 21.968 21.099 -7.316 1.00 0.00 H ATOM 2545 HE2 LYS B 63 23.899 22.798 -6.843 1.00 0.00 H ATOM 2546 HE3 LYS B 63 23.114 22.046 -5.434 1.00 0.00 H ATOM 2547 HZ1 LYS B 63 22.356 24.648 -6.665 1.00 0.00 H ATOM 2548 HZ2 LYS B 63 21.606 23.930 -5.320 1.00 0.00 H ATOM 2549 HZ3 LYS B 63 23.218 24.458 -5.213 1.00 0.00 H ATOM 2550 H LYS B 63 19.735 20.518 -11.158 1.00 0.00 H ATOM 2551 N ASN B 64 22.678 21.490 -12.163 1.00 10.78 N ATOM 2552 CA ASN B 64 24.016 21.588 -12.763 1.00 10.56 C ATOM 2553 C ASN B 64 23.909 21.864 -14.294 1.00 10.70 C ATOM 2554 O ASN B 64 24.983 21.931 -15.030 1.00 13.35 O ATOM 2555 CB ASN B 64 24.896 20.336 -12.479 1.00 11.41 C ATOM 2556 CG ASN B 64 24.370 19.095 -13.156 1.00 12.28 C ATOM 2557 OD1 ASN B 64 23.255 19.057 -13.676 1.00 10.16 O ATOM 2558 ND2 ASN B 64 25.215 18.015 -13.170 1.00 19.50 N ATOM 2559 HA ASN B 64 24.518 22.431 -12.288 1.00 0.00 H ATOM 2560 HB2 ASN B 64 25.906 20.530 -12.839 1.00 0.00 H ATOM 2561 HB3 ASN B 64 24.922 20.163 -11.403 1.00 0.00 H ATOM 2562 HD22 ASN B 64 26.151 18.081 -12.721 1.00 0.00 H ATOM 2563 HD21 ASN B 64 24.920 17.130 -13.630 1.00 0.00 H ATOM 2564 H ASN B 64 22.173 20.581 -12.147 1.00 0.00 H ATOM 2565 N GLU B 65 22.698 22.055 -14.795 1.00 9.77 N ATOM 2566 CA GLU B 65 22.432 22.449 -16.229 1.00 10.85 C ATOM 2567 C GLU B 65 23.057 21.511 -17.253 1.00 12.65 C ATOM 2568 O GLU B 65 23.544 21.957 -18.334 1.00 14.17 O ATOM 2569 CB GLU B 65 22.884 23.903 -16.440 1.00 11.57 C ATOM 2570 CG GLU B 65 22.162 24.838 -15.438 1.00 10.43 C ATOM 2571 CD GLU B 65 22.359 26.350 -15.575 1.00 12.82 C ATOM 2572 OE1 GLU B 65 23.207 26.715 -16.477 1.00 13.93 O ATOM 2573 OE2 GLU B 65 21.763 27.139 -14.774 1.00 14.37 O ATOM 2574 HA GLU B 65 21.359 22.365 -16.399 1.00 0.00 H ATOM 2575 HB2 GLU B 65 23.961 23.972 -16.285 1.00 0.00 H ATOM 2576 HB3 GLU B 65 22.644 24.211 -17.458 1.00 0.00 H ATOM 2577 HG2 GLU B 65 21.093 24.643 -15.529 1.00 0.00 H ATOM 2578 HG3 GLU B 65 22.497 24.559 -14.439 1.00 0.00 H ATOM 2579 H GLU B 65 21.882 21.926 -14.164 1.00 0.00 H ATOM 2580 N ASP B 66 23.085 20.222 -16.946 1.00 10.12 N ATOM 2581 CA ASP B 66 23.520 19.240 -17.923 1.00 13.77 C ATOM 2582 C ASP B 66 22.366 18.681 -18.739 1.00 11.63 C ATOM 2583 O ASP B 66 22.527 17.721 -19.512 1.00 13.42 O ATOM 2584 CB ASP B 66 24.355 18.129 -17.223 1.00 12.92 C ATOM 2585 CG ASP B 66 23.561 17.241 -16.243 1.00 12.17 C ATOM 2586 OD1 ASP B 66 22.337 17.475 -16.092 1.00 10.58 O ATOM 2587 OD2 ASP B 66 24.217 16.262 -15.682 1.00 14.89 O ATOM 2588 HA ASP B 66 24.164 19.740 -18.646 1.00 0.00 H ATOM 2589 HB2 ASP B 66 24.779 17.487 -17.995 1.00 0.00 H ATOM 2590 HB3 ASP B 66 25.161 18.609 -16.668 1.00 0.00 H ATOM 2591 H ASP B 66 22.793 19.911 -15.997 1.00 0.00 H ATOM 2592 N LYS B 67 21.144 19.242 -18.536 1.00 12.64 N ATOM 2593 CA LYS B 67 19.916 18.850 -19.283 1.00 12.98 C ATOM 2594 C LYS B 67 19.455 17.395 -18.994 1.00 12.25 C ATOM 2595 O LYS B 67 18.822 16.688 -19.860 1.00 13.89 O ATOM 2596 CB LYS B 67 20.147 19.082 -20.837 1.00 12.82 C ATOM 2597 CG LYS B 67 20.457 20.568 -21.076 1.00 15.56 C ATOM 2598 CD LYS B 67 19.270 21.448 -20.666 1.00 22.40 C ATOM 2599 CE LYS B 67 19.573 22.876 -20.911 1.00 22.91 C ATOM 2600 NZ LYS B 67 18.526 23.668 -20.201 1.00 16.53 N ATOM 2601 HA LYS B 67 19.104 19.487 -18.932 1.00 0.00 H ATOM 2602 HB2 LYS B 67 20.985 18.473 -21.178 1.00 0.00 H ATOM 2603 HB3 LYS B 67 19.249 18.802 -21.387 1.00 0.00 H ATOM 2604 HG2 LYS B 67 21.330 20.850 -20.488 1.00 0.00 H ATOM 2605 HG3 LYS B 67 20.668 20.723 -22.134 1.00 0.00 H ATOM 2606 HD2 LYS B 67 18.394 21.162 -21.248 1.00 0.00 H ATOM 2607 HD3 LYS B 67 19.064 21.302 -19.606 1.00 0.00 H ATOM 2608 HE2 LYS B 67 19.544 23.088 -21.980 1.00 0.00 H ATOM 2609 HE3 LYS B 67 20.560 23.123 -20.520 1.00 0.00 H ATOM 2610 HZ1 LYS B 67 17.589 23.419 -20.578 1.00 0.00 H ATOM 2611 HZ2 LYS B 67 18.560 23.452 -19.184 1.00 0.00 H ATOM 2612 HZ3 LYS B 67 18.702 24.683 -20.347 1.00 0.00 H ATOM 2613 H LYS B 67 21.062 19.989 -17.817 1.00 0.00 H ATOM 2614 N LYS B 68 19.769 16.929 -17.776 1.00 11.77 N ATOM 2615 CA LYS B 68 19.269 15.623 -17.303 1.00 12.10 C ATOM 2616 C LYS B 68 18.966 15.827 -15.809 1.00 10.79 C ATOM 2617 O LYS B 68 19.496 16.737 -15.204 1.00 13.05 O ATOM 2618 CB LYS B 68 20.361 14.530 -17.386 1.00 15.01 C ATOM 2619 CG LYS B 68 20.920 14.323 -18.816 1.00 18.21 C ATOM 2620 CD LYS B 68 19.825 13.747 -19.663 1.00 27.77 C ATOM 2621 CE LYS B 68 20.512 12.901 -20.804 1.00 34.94 C ATOM 2622 NZ LYS B 68 19.492 12.546 -21.777 1.00 30.51 N ATOM 2623 HA LYS B 68 18.416 15.310 -17.905 1.00 0.00 H ATOM 2624 HB2 LYS B 68 21.185 14.814 -16.731 1.00 0.00 H ATOM 2625 HB3 LYS B 68 19.934 13.588 -17.042 1.00 0.00 H ATOM 2626 HG2 LYS B 68 21.244 15.278 -19.229 1.00 0.00 H ATOM 2627 HG3 LYS B 68 21.766 13.636 -18.787 1.00 0.00 H ATOM 2628 HD2 LYS B 68 19.183 13.107 -19.058 1.00 0.00 H ATOM 2629 HD3 LYS B 68 19.229 14.549 -20.100 1.00 0.00 H ATOM 2630 HE2 LYS B 68 20.951 11.997 -20.381 1.00 0.00 H ATOM 2631 HE3 LYS B 68 21.292 13.492 -21.284 1.00 0.00 H ATOM 2632 HZ1 LYS B 68 18.750 11.986 -21.311 1.00 0.00 H ATOM 2633 HZ2 LYS B 68 19.076 13.413 -22.173 1.00 0.00 H ATOM 2634 HZ3 LYS B 68 19.923 11.986 -22.541 1.00 0.00 H ATOM 2635 H LYS B 68 20.376 17.499 -17.153 1.00 0.00 H ATOM 2636 N ILE B 69 18.001 15.055 -15.292 1.00 10.17 N ATOM 2637 CA ILE B 69 17.763 15.086 -13.825 1.00 9.81 C ATOM 2638 C ILE B 69 18.400 13.794 -13.246 1.00 8.92 C ATOM 2639 O ILE B 69 17.963 12.651 -13.549 1.00 10.68 O ATOM 2640 CB ILE B 69 16.253 15.097 -13.618 1.00 7.79 C ATOM 2641 CG1 ILE B 69 15.622 16.430 -14.119 1.00 13.09 C ATOM 2642 CG2 ILE B 69 15.899 14.917 -12.075 1.00 10.26 C ATOM 2643 CD1 ILE B 69 16.183 17.728 -13.454 1.00 13.02 C ATOM 2644 HA ILE B 69 18.196 15.957 -13.333 1.00 0.00 H ATOM 2645 HB ILE B 69 15.843 14.267 -14.194 1.00 0.00 H ATOM 2646 HG12 ILE B 69 15.793 16.501 -15.193 1.00 0.00 H ATOM 2647 HG13 ILE B 69 14.550 16.389 -13.925 1.00 0.00 H ATOM 2648 HD11 ILE B 69 16.009 17.688 -12.379 1.00 0.00 H ATOM 2649 HD12 ILE B 69 17.253 17.800 -13.648 1.00 0.00 H ATOM 2650 HD13 ILE B 69 15.677 18.598 -13.873 1.00 0.00 H ATOM 2651 HG21 ILE B 69 16.298 13.967 -11.720 1.00 0.00 H ATOM 2652 HG22 ILE B 69 16.341 15.734 -11.504 1.00 0.00 H ATOM 2653 HG23 ILE B 69 14.816 14.928 -11.948 1.00 0.00 H ATOM 2654 H ILE B 69 17.427 14.444 -15.907 1.00 0.00 H ATOM 2655 N ASP B 70 19.427 13.932 -12.400 1.00 8.41 N ATOM 2656 CA ASP B 70 20.046 12.773 -11.783 1.00 8.64 C ATOM 2657 C ASP B 70 19.337 12.542 -10.445 1.00 9.90 C ATOM 2658 O ASP B 70 18.338 13.232 -10.095 1.00 9.40 O ATOM 2659 CB ASP B 70 21.569 12.982 -11.618 1.00 8.82 C ATOM 2660 CG ASP B 70 21.923 14.220 -10.735 1.00 14.50 C ATOM 2661 OD1 ASP B 70 21.217 14.501 -9.757 1.00 11.29 O ATOM 2662 OD2 ASP B 70 22.985 14.857 -10.986 1.00 16.04 O ATOM 2663 HA ASP B 70 19.938 11.888 -12.410 1.00 0.00 H ATOM 2664 HB2 ASP B 70 21.994 12.092 -11.155 1.00 0.00 H ATOM 2665 HB3 ASP B 70 22.010 13.122 -12.605 1.00 0.00 H ATOM 2666 H ASP B 70 19.787 14.883 -12.181 1.00 0.00 H ATOM 2667 N PHE B 71 19.766 11.450 -9.801 1.00 10.14 N ATOM 2668 CA PHE B 71 19.014 11.035 -8.592 1.00 8.97 C ATOM 2669 C PHE B 71 18.966 12.125 -7.518 1.00 8.23 C ATOM 2670 O PHE B 71 17.901 12.294 -6.904 1.00 7.92 O ATOM 2671 CB PHE B 71 19.659 9.736 -8.039 1.00 9.40 C ATOM 2672 CG PHE B 71 18.815 9.088 -6.999 1.00 7.69 C ATOM 2673 CD1 PHE B 71 17.616 8.501 -7.299 1.00 8.81 C ATOM 2674 CD2 PHE B 71 19.205 9.181 -5.656 1.00 10.35 C ATOM 2675 CE1 PHE B 71 16.733 7.899 -6.315 1.00 10.13 C ATOM 2676 CE2 PHE B 71 18.356 8.598 -4.641 1.00 9.25 C ATOM 2677 CZ PHE B 71 17.125 7.971 -4.969 1.00 10.10 C ATOM 2678 HA PHE B 71 17.977 10.855 -8.874 1.00 0.00 H ATOM 2679 HB2 PHE B 71 19.801 9.036 -8.862 1.00 0.00 H ATOM 2680 HB3 PHE B 71 20.627 9.983 -7.603 1.00 0.00 H ATOM 2681 HD2 PHE B 71 20.132 9.684 -5.381 1.00 0.00 H ATOM 2682 HE2 PHE B 71 18.669 8.641 -3.598 1.00 0.00 H ATOM 2683 HZ PHE B 71 16.493 7.551 -4.186 1.00 0.00 H ATOM 2684 HE1 PHE B 71 15.804 7.411 -6.610 1.00 0.00 H ATOM 2685 HD1 PHE B 71 17.303 8.484 -8.343 1.00 0.00 H ATOM 2686 H PHE B 71 20.593 10.914 -10.135 1.00 0.00 H ATOM 2687 N SER B 72 20.074 12.795 -7.352 1.00 9.17 N ATOM 2688 CA SER B 72 20.100 13.883 -6.350 1.00 8.01 C ATOM 2689 C SER B 72 19.072 14.992 -6.640 1.00 9.29 C ATOM 2690 O SER B 72 18.398 15.481 -5.719 1.00 8.18 O ATOM 2691 CB SER B 72 21.504 14.395 -6.152 1.00 8.77 C ATOM 2692 OG SER B 72 22.006 15.244 -7.183 1.00 11.72 O ATOM 2693 HA SER B 72 19.781 13.462 -5.397 1.00 0.00 H ATOM 2694 HB2 SER B 72 22.167 13.533 -6.076 1.00 0.00 H ATOM 2695 HB3 SER B 72 21.528 14.954 -5.217 1.00 0.00 H ATOM 2696 HG SER B 72 22.009 14.752 -8.042 1.00 0.00 H ATOM 2697 H SER B 72 20.920 12.569 -7.912 1.00 0.00 H ATOM 2698 N GLU B 73 18.975 15.338 -7.917 1.00 8.11 N ATOM 2699 CA GLU B 73 18.017 16.379 -8.384 1.00 7.64 C ATOM 2700 C GLU B 73 16.597 15.884 -8.265 1.00 7.57 C ATOM 2701 O GLU B 73 15.690 16.623 -7.869 1.00 8.72 O ATOM 2702 CB GLU B 73 18.399 16.758 -9.824 1.00 7.76 C ATOM 2703 CG GLU B 73 19.717 17.517 -9.884 1.00 9.08 C ATOM 2704 CD GLU B 73 20.239 17.709 -11.302 1.00 8.97 C ATOM 2705 OE1 GLU B 73 19.816 16.918 -12.199 1.00 10.17 O ATOM 2706 OE2 GLU B 73 21.088 18.607 -11.554 1.00 10.78 O ATOM 2707 HA GLU B 73 18.074 17.272 -7.761 1.00 0.00 H ATOM 2708 HB2 GLU B 73 18.490 15.847 -10.415 1.00 0.00 H ATOM 2709 HB3 GLU B 73 17.612 17.385 -10.244 1.00 0.00 H ATOM 2710 HG2 GLU B 73 19.572 18.499 -9.433 1.00 0.00 H ATOM 2711 HG3 GLU B 73 20.462 16.963 -9.313 1.00 0.00 H ATOM 2712 H GLU B 73 19.587 14.868 -8.614 1.00 0.00 H ATOM 2713 N PHE B 74 16.380 14.607 -8.575 1.00 6.99 N ATOM 2714 CA PHE B 74 15.048 13.984 -8.377 1.00 7.16 C ATOM 2715 C PHE B 74 14.675 14.029 -6.849 1.00 7.25 C ATOM 2716 O PHE B 74 13.532 14.323 -6.541 1.00 7.34 O ATOM 2717 CB PHE B 74 15.206 12.537 -8.888 1.00 8.79 C ATOM 2718 CG PHE B 74 14.016 11.629 -8.518 1.00 7.34 C ATOM 2719 CD1 PHE B 74 12.779 11.741 -9.181 1.00 11.81 C ATOM 2720 CD2 PHE B 74 14.153 10.668 -7.527 1.00 9.69 C ATOM 2721 CE1 PHE B 74 11.653 10.851 -8.864 1.00 11.50 C ATOM 2722 CE2 PHE B 74 13.106 9.759 -7.226 1.00 10.23 C ATOM 2723 CZ PHE B 74 11.842 9.844 -7.843 1.00 9.64 C ATOM 2724 HA PHE B 74 14.247 14.498 -8.909 1.00 0.00 H ATOM 2725 HB2 PHE B 74 15.299 12.561 -9.974 1.00 0.00 H ATOM 2726 HB3 PHE B 74 16.113 12.114 -8.456 1.00 0.00 H ATOM 2727 HD2 PHE B 74 15.086 10.610 -6.967 1.00 0.00 H ATOM 2728 HE2 PHE B 74 13.285 8.971 -6.495 1.00 0.00 H ATOM 2729 HZ PHE B 74 11.032 9.172 -7.560 1.00 0.00 H ATOM 2730 HE1 PHE B 74 10.700 10.947 -9.385 1.00 0.00 H ATOM 2731 HD1 PHE B 74 12.653 12.506 -9.947 1.00 0.00 H ATOM 2732 H PHE B 74 17.158 14.036 -8.963 1.00 0.00 H ATOM 2733 N LEU B 75 15.640 13.729 -5.969 1.00 8.45 N ATOM 2734 CA LEU B 75 15.320 13.794 -4.534 1.00 7.70 C ATOM 2735 C LEU B 75 14.990 15.247 -4.161 1.00 7.56 C ATOM 2736 O LEU B 75 13.982 15.439 -3.395 1.00 8.93 O ATOM 2737 CB LEU B 75 16.463 13.299 -3.676 1.00 7.52 C ATOM 2738 CG LEU B 75 16.788 11.832 -3.687 1.00 8.93 C ATOM 2739 CD1 LEU B 75 17.986 11.560 -2.668 1.00 10.52 C ATOM 2740 CD2 LEU B 75 15.584 11.019 -3.239 1.00 13.31 C ATOM 2741 HA LEU B 75 14.464 13.145 -4.348 1.00 0.00 H ATOM 2742 HB2 LEU B 75 17.359 13.829 -3.997 1.00 0.00 H ATOM 2743 HB3 LEU B 75 16.232 13.569 -2.646 1.00 0.00 H ATOM 2744 HG LEU B 75 17.066 11.540 -4.700 1.00 0.00 H ATOM 2745 HD21 LEU B 75 15.304 11.314 -2.228 1.00 0.00 H ATOM 2746 HD22 LEU B 75 14.750 11.204 -3.916 1.00 0.00 H ATOM 2747 HD23 LEU B 75 15.837 9.959 -3.253 1.00 0.00 H ATOM 2748 HD11 LEU B 75 18.860 12.134 -2.975 1.00 0.00 H ATOM 2749 HD12 LEU B 75 17.685 11.864 -1.665 1.00 0.00 H ATOM 2750 HD13 LEU B 75 18.228 10.497 -2.670 1.00 0.00 H ATOM 2751 H LEU B 75 16.591 13.457 -6.292 1.00 0.00 H ATOM 2752 N SER B 76 15.658 16.244 -4.780 1.00 8.12 N ATOM 2753 CA SER B 76 15.270 17.614 -4.456 1.00 7.84 C ATOM 2754 C SER B 76 13.845 17.968 -4.927 1.00 7.57 C ATOM 2755 O SER B 76 13.068 18.666 -4.219 1.00 8.80 O ATOM 2756 CB SER B 76 16.311 18.531 -5.131 1.00 9.37 C ATOM 2757 OG SER B 76 16.061 19.896 -4.683 1.00 12.26 O ATOM 2758 HA SER B 76 15.252 17.742 -3.374 1.00 0.00 H ATOM 2759 HB2 SER B 76 16.210 18.472 -6.215 1.00 0.00 H ATOM 2760 HB3 SER B 76 17.317 18.225 -4.844 1.00 0.00 H ATOM 2761 HG SER B 76 16.151 19.941 -3.698 1.00 0.00 H ATOM 2762 H SER B 76 16.419 16.044 -5.460 1.00 0.00 H ATOM 2763 N LEU B 77 13.439 17.395 -6.058 1.00 7.15 N ATOM 2764 CA LEU B 77 12.071 17.581 -6.559 1.00 6.62 C ATOM 2765 C LEU B 77 11.086 16.913 -5.567 1.00 7.31 C ATOM 2766 O LEU B 77 10.078 17.549 -5.230 1.00 7.84 O ATOM 2767 CB LEU B 77 12.006 16.952 -7.995 1.00 6.01 C ATOM 2768 CG LEU B 77 10.557 16.815 -8.536 1.00 9.98 C ATOM 2769 CD1 LEU B 77 9.761 18.085 -8.628 1.00 16.60 C ATOM 2770 CD2 LEU B 77 10.712 16.202 -9.952 1.00 12.98 C ATOM 2771 HA LEU B 77 11.792 18.632 -6.632 1.00 0.00 H ATOM 2772 HB2 LEU B 77 12.573 17.586 -8.677 1.00 0.00 H ATOM 2773 HB3 LEU B 77 12.459 15.961 -7.961 1.00 0.00 H ATOM 2774 HG LEU B 77 9.990 16.208 -7.830 1.00 0.00 H ATOM 2775 HD21 LEU B 77 11.311 16.869 -10.572 1.00 0.00 H ATOM 2776 HD22 LEU B 77 11.206 15.233 -9.875 1.00 0.00 H ATOM 2777 HD23 LEU B 77 9.727 16.074 -10.401 1.00 0.00 H ATOM 2778 HD11 LEU B 77 9.672 18.529 -7.637 1.00 0.00 H ATOM 2779 HD12 LEU B 77 10.267 18.782 -9.296 1.00 0.00 H ATOM 2780 HD13 LEU B 77 8.768 17.862 -9.018 1.00 0.00 H ATOM 2781 H LEU B 77 14.104 16.804 -6.597 1.00 0.00 H ATOM 2782 N LEU B 78 11.385 15.674 -5.127 1.00 6.68 N ATOM 2783 CA LEU B 78 10.445 15.021 -4.171 1.00 7.01 C ATOM 2784 C LEU B 78 10.395 15.874 -2.872 1.00 7.47 C ATOM 2785 O LEU B 78 9.308 15.988 -2.289 1.00 8.10 O ATOM 2786 CB LEU B 78 10.917 13.609 -3.816 1.00 8.59 C ATOM 2787 CG LEU B 78 10.925 12.661 -5.046 1.00 7.65 C ATOM 2788 CD1 LEU B 78 11.339 11.343 -4.436 1.00 8.05 C ATOM 2789 CD2 LEU B 78 9.491 12.569 -5.642 1.00 10.29 C ATOM 2790 HA LEU B 78 9.461 14.952 -4.634 1.00 0.00 H ATOM 2791 HB2 LEU B 78 11.928 13.668 -3.413 1.00 0.00 H ATOM 2792 HB3 LEU B 78 10.249 13.196 -3.060 1.00 0.00 H ATOM 2793 HG LEU B 78 11.577 12.982 -5.858 1.00 0.00 H ATOM 2794 HD21 LEU B 78 8.809 12.178 -4.887 1.00 0.00 H ATOM 2795 HD22 LEU B 78 9.163 13.562 -5.951 1.00 0.00 H ATOM 2796 HD23 LEU B 78 9.500 11.903 -6.505 1.00 0.00 H ATOM 2797 HD11 LEU B 78 12.321 11.450 -3.976 1.00 0.00 H ATOM 2798 HD12 LEU B 78 10.612 11.050 -3.679 1.00 0.00 H ATOM 2799 HD13 LEU B 78 11.382 10.581 -5.215 1.00 0.00 H ATOM 2800 H LEU B 78 12.247 15.187 -5.445 1.00 0.00 H ATOM 2801 N GLY B 79 11.528 16.437 -2.496 1.00 7.89 N ATOM 2802 CA GLY B 79 11.494 17.340 -1.277 1.00 8.31 C ATOM 2803 C GLY B 79 10.611 18.557 -1.453 1.00 9.39 C ATOM 2804 O GLY B 79 9.890 18.948 -0.540 1.00 9.47 O ATOM 2805 HA3 GLY B 79 12.509 17.677 -1.068 1.00 0.00 H ATOM 2806 HA2 GLY B 79 11.123 16.763 -0.430 1.00 0.00 H ATOM 2807 H GLY B 79 12.412 16.268 -3.017 1.00 0.00 H ATOM 2808 N ASP B 80 10.625 19.125 -2.663 1.00 7.99 N ATOM 2809 CA ASP B 80 9.713 20.248 -2.921 1.00 7.71 C ATOM 2810 C ASP B 80 8.226 19.850 -2.816 1.00 7.65 C ATOM 2811 O ASP B 80 7.428 20.593 -2.245 1.00 9.37 O ATOM 2812 CB ASP B 80 9.969 20.869 -4.308 1.00 9.29 C ATOM 2813 CG ASP B 80 11.317 21.538 -4.421 1.00 14.02 C ATOM 2814 OD1 ASP B 80 11.929 21.940 -3.421 1.00 12.53 O ATOM 2815 OD2 ASP B 80 11.718 21.795 -5.622 1.00 13.45 O ATOM 2816 HA ASP B 80 9.923 20.982 -2.143 1.00 0.00 H ATOM 2817 HB2 ASP B 80 9.910 20.080 -5.057 1.00 0.00 H ATOM 2818 HB3 ASP B 80 9.196 21.612 -4.503 1.00 0.00 H ATOM 2819 H ASP B 80 11.267 18.780 -3.405 1.00 0.00 H ATOM 2820 N ILE B 81 7.890 18.694 -3.403 1.00 8.47 N ATOM 2821 CA ILE B 81 6.492 18.236 -3.402 1.00 7.25 C ATOM 2822 C ILE B 81 6.160 17.923 -1.945 1.00 8.15 C ATOM 2823 O ILE B 81 5.042 18.291 -1.484 1.00 9.09 O ATOM 2824 CB ILE B 81 6.384 16.983 -4.258 1.00 9.00 C ATOM 2825 CG1 ILE B 81 6.595 17.368 -5.736 1.00 8.98 C ATOM 2826 CG2 ILE B 81 4.956 16.357 -4.148 1.00 10.65 C ATOM 2827 CD1 ILE B 81 6.842 16.095 -6.689 1.00 11.96 C ATOM 2828 HA ILE B 81 5.806 18.980 -3.807 1.00 0.00 H ATOM 2829 HB ILE B 81 7.132 16.270 -3.913 1.00 0.00 H ATOM 2830 HG12 ILE B 81 5.710 17.898 -6.087 1.00 0.00 H ATOM 2831 HG13 ILE B 81 7.461 18.026 -5.803 1.00 0.00 H ATOM 2832 HD11 ILE B 81 7.731 15.560 -6.356 1.00 0.00 H ATOM 2833 HD12 ILE B 81 5.978 15.432 -6.639 1.00 0.00 H ATOM 2834 HD13 ILE B 81 6.983 16.433 -7.716 1.00 0.00 H ATOM 2835 HG21 ILE B 81 4.756 16.092 -3.110 1.00 0.00 H ATOM 2836 HG22 ILE B 81 4.216 17.081 -4.489 1.00 0.00 H ATOM 2837 HG23 ILE B 81 4.904 15.463 -4.769 1.00 0.00 H ATOM 2838 H ILE B 81 8.622 18.116 -3.863 1.00 0.00 H ATOM 2839 N ALA B 82 7.058 17.259 -1.214 1.00 8.70 N ATOM 2840 CA ALA B 82 6.747 16.959 0.200 1.00 8.60 C ATOM 2841 C ALA B 82 6.578 18.215 0.998 1.00 8.33 C ATOM 2842 O ALA B 82 5.750 18.311 1.904 1.00 9.09 O ATOM 2843 CB ALA B 82 7.952 16.160 0.815 1.00 8.52 C ATOM 2844 HA ALA B 82 5.820 16.387 0.234 1.00 0.00 H ATOM 2845 HB1 ALA B 82 8.093 15.233 0.259 1.00 0.00 H ATOM 2846 HB2 ALA B 82 8.857 16.764 0.752 1.00 0.00 H ATOM 2847 HB3 ALA B 82 7.739 15.930 1.859 1.00 0.00 H ATOM 2848 H ALA B 82 7.961 16.958 -1.632 1.00 0.00 H ATOM 2849 N THR B 83 7.412 19.234 0.728 1.00 8.17 N ATOM 2850 CA THR B 83 7.325 20.505 1.472 1.00 9.30 C ATOM 2851 C THR B 83 5.940 21.149 1.232 1.00 8.72 C ATOM 2852 O THR B 83 5.319 21.641 2.160 1.00 10.93 O ATOM 2853 CB THR B 83 8.502 21.396 1.099 1.00 9.03 C ATOM 2854 OG1 THR B 83 9.697 20.786 1.614 1.00 9.82 O ATOM 2855 CG2 THR B 83 8.400 22.768 1.891 1.00 10.73 C ATOM 2856 HA THR B 83 7.401 20.338 2.547 1.00 0.00 H ATOM 2857 HB THR B 83 8.508 21.539 0.018 1.00 0.00 H ATOM 2858 HG1 THR B 83 9.806 19.887 1.214 1.00 0.00 H ATOM 2859 HG23 THR B 83 7.512 23.309 1.564 1.00 0.00 H ATOM 2860 HG21 THR B 83 8.331 22.565 2.960 1.00 0.00 H ATOM 2861 HG22 THR B 83 9.287 23.368 1.691 1.00 0.00 H ATOM 2862 H THR B 83 8.130 19.125 -0.017 1.00 0.00 H ATOM 2863 N ASP B 84 5.434 21.104 0.000 1.00 9.84 N ATOM 2864 CA ASP B 84 4.110 21.611 -0.296 1.00 12.43 C ATOM 2865 C ASP B 84 2.991 20.848 0.528 1.00 10.36 C ATOM 2866 O ASP B 84 2.115 21.504 1.144 1.00 12.68 O ATOM 2867 CB ASP B 84 3.721 21.535 -1.752 1.00 12.63 C ATOM 2868 CG ASP B 84 2.508 22.431 -1.962 1.00 22.92 C ATOM 2869 OD1 ASP B 84 2.791 23.674 -1.893 1.00 28.43 O ATOM 2870 OD2 ASP B 84 1.365 21.946 -2.019 1.00 21.76 O ATOM 2871 HA ASP B 84 4.169 22.661 -0.009 1.00 0.00 H ATOM 2872 HB2 ASP B 84 4.547 21.878 -2.374 1.00 0.00 H ATOM 2873 HB3 ASP B 84 3.472 20.507 -2.016 1.00 0.00 H ATOM 2874 H ASP B 84 6.004 20.695 -0.768 1.00 0.00 H ATOM 2875 N TYR B 85 3.091 19.549 0.539 1.00 9.83 N ATOM 2876 CA TYR B 85 2.082 18.787 1.320 1.00 10.14 C ATOM 2877 C TYR B 85 2.255 19.066 2.791 1.00 11.05 C ATOM 2878 O TYR B 85 1.220 19.118 3.506 1.00 11.29 O ATOM 2879 CB TYR B 85 2.245 17.295 1.056 1.00 10.20 C ATOM 2880 CG TYR B 85 1.587 16.790 -0.282 1.00 13.36 C ATOM 2881 CD1 TYR B 85 2.377 16.393 -1.381 1.00 15.32 C ATOM 2882 CD2 TYR B 85 0.154 16.682 -0.398 1.00 16.34 C ATOM 2883 CE1 TYR B 85 1.739 15.901 -2.596 1.00 19.70 C ATOM 2884 CE2 TYR B 85 -0.432 16.176 -1.557 1.00 19.09 C ATOM 2885 CZ TYR B 85 0.342 15.789 -2.648 1.00 19.19 C ATOM 2886 OH TYR B 85 -0.283 15.259 -3.766 1.00 20.55 O ATOM 2887 HA TYR B 85 1.084 19.099 1.013 1.00 0.00 H ATOM 2888 HB3 TYR B 85 1.791 16.751 1.885 1.00 0.00 H ATOM 2889 HB2 TYR B 85 3.311 17.071 1.017 1.00 0.00 H ATOM 2890 HD2 TYR B 85 -0.479 17.000 0.431 1.00 0.00 H ATOM 2891 HE2 TYR B 85 -1.517 16.081 -1.610 1.00 0.00 H ATOM 2892 HE1 TYR B 85 2.344 15.622 -3.459 1.00 0.00 H ATOM 2893 HD1 TYR B 85 3.464 16.454 -1.322 1.00 0.00 H ATOM 2894 HH TYR B 85 -0.776 14.440 -3.510 1.00 0.00 H ATOM 2895 H TYR B 85 3.850 19.063 0.020 1.00 0.00 H ATOM 2896 N HIS B 86 3.484 19.259 3.274 1.00 8.52 N ATOM 2897 CA HIS B 86 3.683 19.579 4.689 1.00 10.30 C ATOM 2898 C HIS B 86 3.058 20.957 4.989 1.00 11.31 C ATOM 2899 O HIS B 86 2.361 21.139 6.009 1.00 11.97 O ATOM 2900 CB HIS B 86 5.193 19.567 5.090 1.00 9.34 C ATOM 2901 CG HIS B 86 5.390 19.825 6.579 1.00 9.62 C ATOM 2902 ND1 HIS B 86 6.259 20.780 7.038 1.00 10.92 N ATOM 2903 CD2 HIS B 86 4.842 19.244 7.685 1.00 12.79 C ATOM 2904 CE1 HIS B 86 6.226 20.822 8.368 1.00 12.69 C ATOM 2905 NE2 HIS B 86 5.415 19.887 8.780 1.00 7.57 N ATOM 2906 HA HIS B 86 3.192 18.809 5.284 1.00 0.00 H ATOM 2907 HB2 HIS B 86 5.616 18.593 4.842 1.00 0.00 H ATOM 2908 HB3 HIS B 86 5.713 20.341 4.526 1.00 0.00 H ATOM 2909 HD2 HIS B 86 4.106 18.440 7.707 1.00 0.00 H ATOM 2910 HE1 HIS B 86 6.779 21.516 9.001 1.00 0.00 H ATOM 2911 H HIS B 86 4.306 19.182 2.641 1.00 0.00 H ATOM 2912 N LYS B 87 3.267 21.920 4.098 1.00 10.87 N ATOM 2913 CA LYS B 87 2.677 23.272 4.410 1.00 12.36 C ATOM 2914 C LYS B 87 1.125 23.172 4.389 1.00 13.55 C ATOM 2915 O LYS B 87 0.427 23.791 5.218 1.00 16.32 O ATOM 2916 CB LYS B 87 3.190 24.272 3.354 1.00 11.79 C ATOM 2917 CG LYS B 87 4.580 24.652 3.558 1.00 16.41 C ATOM 2918 CD LYS B 87 4.935 25.653 2.421 1.00 25.76 C ATOM 2919 CE LYS B 87 6.404 25.802 2.272 1.00 35.07 C ATOM 2920 NZ LYS B 87 6.717 26.815 1.167 1.00 41.93 N ATOM 2921 HA LYS B 87 2.977 23.614 5.401 1.00 0.00 H ATOM 2922 HB2 LYS B 87 3.095 23.816 2.369 1.00 0.00 H ATOM 2923 HB3 LYS B 87 2.574 25.170 3.398 1.00 0.00 H ATOM 2924 HG2 LYS B 87 4.702 25.128 4.531 1.00 0.00 H ATOM 2925 HG3 LYS B 87 5.223 23.774 3.502 1.00 0.00 H ATOM 2926 HD2 LYS B 87 4.518 25.287 1.483 1.00 0.00 H ATOM 2927 HD3 LYS B 87 4.501 26.625 2.655 1.00 0.00 H ATOM 2928 HE2 LYS B 87 6.841 24.838 2.013 1.00 0.00 H ATOM 2929 HE3 LYS B 87 6.829 26.151 3.213 1.00 0.00 H ATOM 2930 HZ1 LYS B 87 6.313 26.482 0.268 1.00 0.00 H ATOM 2931 HZ2 LYS B 87 6.302 27.736 1.415 1.00 0.00 H ATOM 2932 HZ3 LYS B 87 7.748 26.913 1.070 1.00 0.00 H ATOM 2933 H LYS B 87 3.811 21.750 3.228 1.00 0.00 H ATOM 2934 N GLN B 88 0.557 22.383 3.500 1.00 13.19 N ATOM 2935 CA GLN B 88 -0.925 22.142 3.442 1.00 14.44 C ATOM 2936 C GLN B 88 -1.426 21.506 4.711 1.00 16.01 C ATOM 2937 O GLN B 88 -2.478 21.923 5.252 1.00 18.61 O ATOM 2938 CB GLN B 88 -1.273 21.150 2.387 1.00 15.51 C ATOM 2939 CG GLN B 88 -1.163 21.743 0.975 1.00 16.49 C ATOM 2940 CD GLN B 88 -1.583 20.737 -0.094 1.00 19.25 C ATOM 2941 OE1 GLN B 88 -2.710 20.221 -0.010 1.00 22.74 O ATOM 2942 NE2 GLN B 88 -0.691 20.397 -1.081 1.00 20.65 N ATOM 2943 HA GLN B 88 -1.368 23.121 3.259 1.00 0.00 H ATOM 2944 HB2 GLN B 88 -0.594 20.301 2.465 1.00 0.00 H ATOM 2945 HB3 GLN B 88 -2.297 20.811 2.547 1.00 0.00 H ATOM 2946 HG2 GLN B 88 -1.808 22.620 0.908 1.00 0.00 H ATOM 2947 HG3 GLN B 88 -0.129 22.039 0.795 1.00 0.00 H ATOM 2948 HE22 GLN B 88 0.243 20.852 -1.117 1.00 0.00 H ATOM 2949 HE21 GLN B 88 -0.950 19.684 -1.793 1.00 0.00 H ATOM 2950 H GLN B 88 1.164 21.904 2.805 1.00 0.00 H ATOM 2951 N SER B 89 -0.579 20.636 5.271 1.00 13.83 N ATOM 2952 CA SER B 89 -0.991 20.049 6.601 1.00 13.01 C ATOM 2953 C SER B 89 -1.071 21.073 7.732 1.00 15.00 C ATOM 2954 O SER B 89 -1.772 20.803 8.775 1.00 16.54 O ATOM 2955 CB SER B 89 -0.087 18.830 6.928 1.00 15.28 C ATOM 2956 OG SER B 89 1.149 19.275 7.432 1.00 13.94 O ATOM 2957 HA SER B 89 -2.019 19.699 6.510 1.00 0.00 H ATOM 2958 HB2 SER B 89 0.080 18.249 6.021 1.00 0.00 H ATOM 2959 HB3 SER B 89 -0.578 18.205 7.673 1.00 0.00 H ATOM 2960 HG SER B 89 1.596 19.842 6.754 1.00 0.00 H ATOM 2961 H SER B 89 0.318 20.376 4.814 1.00 0.00 H ATOM 2962 N HIS B 90 -0.406 22.226 7.574 1.00 14.56 N ATOM 2963 CA HIS B 90 -0.379 23.317 8.547 1.00 14.59 C ATOM 2964 C HIS B 90 -1.372 24.435 8.214 1.00 18.89 C ATOM 2965 O HIS B 90 -1.251 25.525 8.785 1.00 19.66 O ATOM 2966 CB HIS B 90 0.987 23.852 8.720 1.00 15.48 C ATOM 2967 CG HIS B 90 1.855 22.966 9.547 1.00 15.97 C ATOM 2968 ND1 HIS B 90 2.175 23.274 10.840 1.00 15.07 N ATOM 2969 CD2 HIS B 90 2.461 21.774 9.276 1.00 12.64 C ATOM 2970 CE1 HIS B 90 2.910 22.314 11.376 1.00 13.63 C ATOM 2971 NE2 HIS B 90 3.129 21.389 10.434 1.00 12.60 N ATOM 2972 HA HIS B 90 -0.699 22.888 9.497 1.00 0.00 H ATOM 2973 HB2 HIS B 90 1.443 23.967 7.737 1.00 0.00 H ATOM 2974 HB3 HIS B 90 0.921 24.826 9.205 1.00 0.00 H ATOM 2975 HD2 HIS B 90 2.428 21.228 8.333 1.00 0.00 H ATOM 2976 HE1 HIS B 90 3.273 22.282 12.403 1.00 0.00 H ATOM 2977 H HIS B 90 0.131 22.354 6.693 1.00 0.00 H ATOM 2978 N GLY B 91 -2.184 24.166 7.212 1.00 20.42 N ATOM 2979 CA GLY B 91 -3.279 25.072 6.812 1.00 23.30 C ATOM 2980 C GLY B 91 -2.947 25.907 5.588 1.00 24.55 C ATOM 2981 O GLY B 91 -3.746 26.792 5.194 1.00 26.19 O ATOM 2982 HA3 GLY B 91 -3.494 25.744 7.643 1.00 0.00 H ATOM 2983 HA2 GLY B 91 -4.163 24.473 6.594 1.00 0.00 H ATOM 2984 H GLY B 91 -2.048 23.281 6.682 1.00 0.00 H ATOM 2985 N ALA B 92 -1.852 25.634 4.878 1.00 22.65 N ATOM 2986 CA ALA B 92 -1.593 26.423 3.626 1.00 21.79 C ATOM 2987 C ALA B 92 -2.458 25.904 2.454 1.00 20.61 C ATOM 2988 O ALA B 92 -2.907 24.734 2.324 1.00 19.79 O ATOM 2989 CB ALA B 92 -0.106 26.409 3.242 1.00 19.94 C ATOM 2990 HA ALA B 92 -1.874 27.456 3.833 1.00 0.00 H ATOM 2991 HB1 ALA B 92 0.481 26.845 4.050 1.00 0.00 H ATOM 2992 HB2 ALA B 92 0.215 25.381 3.073 1.00 0.00 H ATOM 2993 HB3 ALA B 92 0.038 26.991 2.332 1.00 0.00 H ATOM 2994 H ALA B 92 -1.192 24.891 5.184 1.00 0.00 H ATOM 2995 N ALA B 93 -2.729 26.827 1.502 1.00 21.20 N ATOM 2996 CA ALA B 93 -3.380 26.418 0.302 1.00 21.69 C ATOM 2997 C ALA B 93 -2.406 25.482 -0.516 1.00 19.32 C ATOM 2998 O ALA B 93 -1.228 25.620 -0.338 1.00 21.99 O ATOM 2999 CB ALA B 93 -3.692 27.704 -0.552 1.00 22.51 C ATOM 3000 HA ALA B 93 -4.300 25.881 0.531 1.00 0.00 H ATOM 3001 HB1 ALA B 93 -4.340 28.369 0.019 1.00 0.00 H ATOM 3002 HB2 ALA B 93 -2.760 28.217 -0.787 1.00 0.00 H ATOM 3003 HB3 ALA B 93 -4.191 27.413 -1.476 1.00 0.00 H ATOM 3004 H ALA B 93 -2.465 27.823 1.644 1.00 0.00 H ATOM 3005 N PRO B 94 -2.936 24.531 -1.304 1.00 21.11 N ATOM 3006 CA PRO B 94 -2.031 23.710 -2.182 1.00 20.61 C ATOM 3007 C PRO B 94 -1.203 24.559 -3.113 1.00 22.35 C ATOM 3008 O PRO B 94 -1.611 25.723 -3.523 1.00 22.80 O ATOM 3009 CB PRO B 94 -3.000 22.895 -3.040 1.00 19.65 C ATOM 3010 CG PRO B 94 -4.299 22.854 -2.253 1.00 23.89 C ATOM 3011 CD PRO B 94 -4.343 24.185 -1.551 1.00 19.87 C ATOM 3012 HA PRO B 94 -1.336 23.126 -1.579 1.00 0.00 H ATOM 3013 HD3 PRO B 94 -4.818 24.936 -2.182 1.00 0.00 H ATOM 3014 HD2 PRO B 94 -4.889 24.105 -0.611 1.00 0.00 H ATOM 3015 HG3 PRO B 94 -4.290 22.036 -1.533 1.00 0.00 H ATOM 3016 HG2 PRO B 94 -5.153 22.739 -2.920 1.00 0.00 H ATOM 3017 HB2 PRO B 94 -3.154 23.377 -4.005 1.00 0.00 H ATOM 3018 HB3 PRO B 94 -2.616 21.887 -3.196 1.00 0.00 H ATOM 3019 N CYS B 95 0.011 24.063 -3.358 1.00 22.89 N ATOM 3020 CA CYS B 95 0.816 24.666 -4.422 1.00 24.63 C ATOM 3021 C CYS B 95 1.155 26.159 -4.122 1.00 27.37 C ATOM 3022 O CYS B 95 1.064 27.048 -4.997 1.00 28.52 O ATOM 3023 CB CYS B 95 0.050 24.438 -5.749 1.00 20.33 C ATOM 3024 SG CYS B 95 1.267 24.519 -7.190 1.00 26.13 S ATOM 3025 HA CYS B 95 1.796 24.194 -4.496 1.00 0.00 H ATOM 3026 HB2 CYS B 95 -0.710 25.210 -5.869 1.00 0.00 H ATOM 3027 HB3 CYS B 95 -0.429 23.459 -5.730 1.00 0.00 H ATOM 3028 H CYS B 95 0.379 23.263 -2.804 1.00 0.00 H ATOM 3029 N SER B 96 1.595 26.450 -2.889 1.00 29.11 N ATOM 3030 CA SER B 96 1.653 27.835 -2.413 1.00 32.19 C ATOM 3031 C SER B 96 3.011 28.453 -2.630 1.00 34.19 C ATOM 3032 O SER B 96 3.896 28.327 -1.813 1.00 36.69 O ATOM 3033 CB SER B 96 1.258 27.929 -0.918 1.00 32.41 C ATOM 3034 OG SER B 96 2.136 27.108 -0.120 1.00 34.25 O ATOM 3035 HA SER B 96 0.932 28.400 -3.004 1.00 0.00 H ATOM 3036 HB2 SER B 96 0.231 27.585 -0.794 1.00 0.00 H ATOM 3037 HB3 SER B 96 1.335 28.965 -0.589 1.00 0.00 H ATOM 3038 HG SER B 96 2.065 26.166 -0.417 1.00 0.00 H ATOM 3039 H SER B 96 1.900 25.680 -2.260 1.00 0.00 H TER 3040 SER B 96 HETATM 3041 CA CA A 1 17.787 21.254 13.942 1.00 10.45 CA HETATM 3042 ZN ZN A 2 19.761 4.423 -10.592 1.00 12.63 ZN HETATM 3043 CA CA A 3 21.254 17.787 -13.942 1.00 10.45 CA HETATM 3044 ZN ZN A 4 4.423 19.761 10.592 1.00 12.63 ZN HETATM 3045 O HOH 5 -6.835 9.030 -1.899 1.00 34.68 O HETATM 3046 O HOH 6 -6.566 13.260 -4.448 1.00 31.59 O HETATM 3047 O HOH 7 -5.126 13.655 -0.378 1.00 28.26 O HETATM 3048 O HOH 8 -6.985 14.316 4.705 1.00 35.58 O HETATM 3049 O HOH 9 18.483 9.546 22.956 1.00 24.76 O HETATM 3050 O HOH 10 2.236 3.593 -9.066 1.00 24.03 O HETATM 3051 O HOH 11 -0.261 4.644 -8.523 1.00 23.65 O HETATM 3052 O HOH 12 1.932 4.015 -1.289 1.00 29.85 O HETATM 3053 O HOH 13 -4.251 13.785 3.743 1.00 32.69 O HETATM 3054 O HOH 14 20.151 -6.367 2.792 1.00 35.75 O HETATM 3055 O HOH 15 3.789 6.808 18.850 1.00 30.68 O HETATM 3056 O HOH 16 -0.942 8.431 2.429 1.00 17.40 O HETATM 3057 O HOH 17 -2.434 3.193 -7.317 1.00 46.15 O HETATM 3058 O HOH 18 8.910 23.184 9.166 1.00 38.34 O HETATM 3059 O HOH 19 3.333 3.528 -0.048 1.00 31.72 O HETATM 3060 O HOH 20 16.690 7.391 23.442 1.00 28.98 O HETATM 3061 O HOH 21 11.056 1.556 19.581 1.00 37.93 O HETATM 3062 O HOH 22 -0.067 14.816 9.407 1.00 10.36 O HETATM 3063 O HOH 23 -1.136 15.324 6.166 1.00 23.73 O HETATM 3064 O HOH 24 -3.246 12.583 5.948 1.00 17.35 O HETATM 3065 O HOH 25 21.666 -7.048 4.768 1.00 28.41 O HETATM 3066 O HOH 26 2.679 9.279 18.364 1.00 18.98 O HETATM 3067 O HOH 27 9.781 14.710 19.533 1.00 13.10 O HETATM 3068 O HOH 28 6.083 13.353 20.661 1.00 29.98 O HETATM 3069 O HOH 29 3.640 18.698 14.546 1.00 14.87 O HETATM 3070 O HOH 30 20.974 15.764 22.293 1.00 26.13 O HETATM 3071 O HOH 31 3.061 20.589 16.378 1.00 31.37 O HETATM 3072 O HOH 32 19.194 19.534 6.264 1.00 14.86 O HETATM 3073 O HOH 33 22.940 27.380 11.589 1.00 49.12 O HETATM 3074 O HOH 34 17.819 13.963 24.507 1.00 29.70 O HETATM 3075 O HOH 35 19.037 23.472 5.028 1.00 36.20 O HETATM 3076 O HOH 36 18.881 19.507 3.485 1.00 49.53 O HETATM 3077 O HOH 37 9.579 21.422 11.226 1.00 10.77 O HETATM 3078 O HOH 38 21.221 14.131 -2.458 1.00 22.09 O HETATM 3079 O HOH 39 18.136 -5.021 -6.715 1.00 26.31 O HETATM 3080 O HOH 40 14.493 6.680 22.249 1.00 20.80 O HETATM 3081 O HOH 41 10.080 7.844 22.024 1.00 30.94 O HETATM 3082 O HOH 42 11.782 3.523 21.327 1.00 31.11 O HETATM 3083 O HOH 43 14.442 -1.549 14.978 1.00 30.59 O HETATM 3084 O HOH 44 10.560 -2.154 14.652 1.00 35.94 O HETATM 3085 O HOH 45 20.158 3.594 20.631 1.00 42.58 O HETATM 3086 O HOH 46 8.777 1.166 19.849 1.00 34.85 O HETATM 3087 O HOH 47 8.131 -1.803 12.939 1.00 41.93 O HETATM 3088 O HOH 48 4.547 5.021 16.869 1.00 32.01 O HETATM 3089 O HOH 49 6.449 2.578 8.354 1.00 10.95 O HETATM 3090 O HOH 50 16.307 -3.374 13.434 1.00 23.39 O HETATM 3091 O HOH 51 17.638 -6.096 6.632 1.00 27.75 O HETATM 3092 O HOH 52 21.003 -0.328 5.033 1.00 23.71 O HETATM 3093 O HOH 53 24.083 -5.750 5.404 1.00 30.18 O HETATM 3094 O HOH 54 20.467 0.205 15.278 1.00 41.98 O HETATM 3095 O HOH 55 22.201 0.360 12.728 1.00 19.47 O HETATM 3096 O HOH 56 28.580 -0.082 7.109 1.00 41.95 O HETATM 3097 O HOH 57 28.777 2.639 14.145 1.00 21.13 O HETATM 3098 O HOH 58 22.593 6.861 5.166 1.00 29.11 O HETATM 3099 O HOH 59 23.731 8.993 20.522 1.00 16.61 O HETATM 3100 O HOH 60 26.454 5.453 12.325 1.00 23.81 O HETATM 3101 O HOH 61 22.178 10.099 17.253 1.00 11.67 O HETATM 3102 O HOH 62 23.020 15.865 20.489 1.00 18.80 O HETATM 3103 O HOH 63 26.138 17.940 11.854 1.00 18.68 O HETATM 3104 O HOH 64 24.334 18.494 15.225 1.00 11.48 O HETATM 3105 O HOH 65 23.075 17.828 7.464 1.00 26.63 O HETATM 3106 O HOH 66 26.468 15.658 8.722 1.00 30.23 O HETATM 3107 O HOH 67 24.126 15.560 6.424 1.00 35.85 O HETATM 3108 O HOH 68 20.296 17.651 7.927 1.00 12.76 O HETATM 3109 O HOH 69 23.097 25.554 9.951 1.00 25.86 O HETATM 3110 O HOH 70 17.161 27.132 10.533 1.00 43.11 O HETATM 3111 O HOH 71 18.902 28.167 12.234 1.00 40.62 O HETATM 3112 O HOH 72 26.053 20.646 12.446 1.00 21.91 O HETATM 3113 O HOH 73 16.123 26.853 15.740 1.00 34.21 O HETATM 3114 O HOH 74 16.615 16.550 21.476 1.00 19.08 O HETATM 3115 O HOH 75 10.784 19.166 19.626 1.00 34.90 O HETATM 3116 O HOH 76 11.821 17.776 23.563 1.00 31.85 O HETATM 3117 O HOH 77 14.399 25.156 12.803 1.00 28.91 O HETATM 3118 O HOH 78 15.783 22.465 13.516 1.00 13.42 O HETATM 3119 O HOH 79 16.458 24.416 9.371 1.00 18.08 O HETATM 3120 O HOH 80 11.856 22.796 8.104 1.00 16.58 O HETATM 3121 O HOH 81 14.018 24.902 7.363 1.00 33.47 O HETATM 3122 O HOH 82 16.100 19.370 3.212 1.00 21.24 O HETATM 3123 O HOH 83 18.028 21.995 6.979 1.00 13.70 O HETATM 3124 O HOH 84 18.872 23.008 9.514 1.00 13.83 O HETATM 3125 O HOH 85 19.808 16.879 1.997 1.00 42.16 O HETATM 3126 O HOH 86 19.800 14.039 1.642 1.00 20.19 O HETATM 3127 O HOH 87 22.805 14.331 3.379 1.00 32.34 O HETATM 3128 O HOH 88 23.262 7.402 2.325 1.00 24.64 O HETATM 3129 O HOH 89 22.777 11.342 0.890 1.00 23.32 O HETATM 3130 O HOH 90 21.604 11.573 -3.592 1.00 16.72 O HETATM 3131 O HOH 91 14.686 -2.940 3.587 1.00 28.00 O HETATM 3132 O HOH 92 22.716 7.825 -5.683 1.00 18.04 O HETATM 3133 O HOH 93 21.172 -4.955 -1.282 1.00 30.77 O HETATM 3134 O HOH 94 19.090 -1.574 3.550 1.00 26.78 O HETATM 3135 O HOH 95 19.011 -3.776 -9.170 1.00 19.13 O HETATM 3136 O HOH 96 25.798 1.655 -11.801 1.00 29.34 O HETATM 3137 O HOH 97 24.865 4.439 -7.827 1.00 39.18 O HETATM 3138 O HOH 98 29.590 -1.648 -1.424 1.00 31.77 O HETATM 3139 O HOH 99 24.593 1.341 -0.186 1.00 21.47 O HETATM 3140 O HOH 100 -2.308 5.870 1.935 1.00 28.67 O HETATM 3141 O HOH 101 9.030 -6.835 1.899 1.00 34.68 O HETATM 3142 O HOH 102 13.260 -6.566 4.448 1.00 31.59 O HETATM 3143 O HOH 103 13.655 -5.126 0.378 1.00 28.26 O HETATM 3144 O HOH 104 14.316 -6.985 -4.705 1.00 35.58 O HETATM 3145 O HOH 105 9.546 18.483 -22.956 1.00 24.76 O HETATM 3146 O HOH 106 3.593 2.236 9.066 1.00 24.03 O HETATM 3147 O HOH 107 4.644 -0.261 8.523 1.00 23.65 O HETATM 3148 O HOH 108 4.015 1.932 1.289 1.00 29.85 O HETATM 3149 O HOH 109 13.785 -4.251 -3.743 1.00 32.69 O HETATM 3150 O HOH 110 -6.367 20.151 -2.792 1.00 35.75 O HETATM 3151 O HOH 111 6.808 3.789 -18.850 1.00 30.68 O HETATM 3152 O HOH 112 8.431 -0.942 -2.429 1.00 17.40 O HETATM 3153 O HOH 113 3.193 -2.434 7.317 1.00 46.15 O HETATM 3154 O HOH 114 23.184 8.910 -9.166 1.00 38.34 O HETATM 3155 O HOH 115 7.391 16.690 -23.442 1.00 28.98 O HETATM 3156 O HOH 116 1.556 11.056 -19.581 1.00 37.93 O HETATM 3157 O HOH 117 14.816 -0.067 -9.407 1.00 10.36 O HETATM 3158 O HOH 118 15.324 -1.136 -6.166 1.00 23.73 O HETATM 3159 O HOH 119 12.583 -3.246 -5.948 1.00 17.35 O HETATM 3160 O HOH 120 -7.048 21.666 -4.768 1.00 28.41 O HETATM 3161 O HOH 121 9.279 2.679 -18.364 1.00 18.98 O HETATM 3162 O HOH 122 14.710 9.781 -19.533 1.00 13.10 O HETATM 3163 O HOH 123 13.353 6.083 -20.661 1.00 29.98 O HETATM 3164 O HOH 124 18.698 3.640 -14.546 1.00 14.87 O HETATM 3165 O HOH 125 15.764 20.974 -22.293 1.00 26.13 O HETATM 3166 O HOH 126 20.589 3.061 -16.378 1.00 31.37 O HETATM 3167 O HOH 127 19.534 19.194 -6.264 1.00 14.86 O HETATM 3168 O HOH 128 27.380 22.940 -11.589 1.00 49.12 O HETATM 3169 O HOH 129 13.963 17.819 -24.507 1.00 29.70 O HETATM 3170 O HOH 130 23.472 19.037 -5.028 1.00 36.20 O HETATM 3171 O HOH 131 19.507 18.881 -3.485 1.00 49.53 O HETATM 3172 O HOH 132 21.422 9.579 -11.226 1.00 10.77 O HETATM 3173 O HOH 133 14.131 21.221 2.458 1.00 22.09 O HETATM 3174 O HOH 134 -5.021 18.136 6.715 1.00 26.31 O HETATM 3175 O HOH 135 6.680 14.493 -22.249 1.00 20.80 O HETATM 3176 O HOH 136 7.844 10.080 -22.024 1.00 30.94 O HETATM 3177 O HOH 137 3.523 11.782 -21.327 1.00 31.11 O HETATM 3178 O HOH 138 -1.549 14.442 -14.978 1.00 30.59 O HETATM 3179 O HOH 139 -2.154 10.560 -14.652 1.00 35.94 O HETATM 3180 O HOH 140 3.594 20.158 -20.631 1.00 42.58 O HETATM 3181 O HOH 141 1.166 8.777 -19.849 1.00 34.85 O HETATM 3182 O HOH 142 -1.803 8.131 -12.939 1.00 41.93 O HETATM 3183 O HOH 143 5.021 4.547 -16.869 1.00 32.01 O HETATM 3184 O HOH 144 2.578 6.449 -8.354 1.00 10.95 O HETATM 3185 O HOH 145 -3.374 16.307 -13.434 1.00 23.39 O HETATM 3186 O HOH 146 -6.096 17.638 -6.632 1.00 27.75 O HETATM 3187 O HOH 147 -0.328 21.003 -5.033 1.00 23.71 O HETATM 3188 O HOH 148 -5.750 24.083 -5.404 1.00 30.18 O HETATM 3189 O HOH 149 0.205 20.467 -15.278 1.00 41.98 O HETATM 3190 O HOH 150 0.360 22.201 -12.728 1.00 19.47 O HETATM 3191 O HOH 151 -0.082 28.580 -7.109 1.00 41.95 O HETATM 3192 O HOH 152 2.639 28.777 -14.145 1.00 21.13 O HETATM 3193 O HOH 153 6.861 22.593 -5.166 1.00 29.11 O HETATM 3194 O HOH 154 8.993 23.731 -20.522 1.00 16.61 O HETATM 3195 O HOH 155 5.453 26.454 -12.325 1.00 23.81 O HETATM 3196 O HOH 156 10.099 22.178 -17.253 1.00 11.67 O HETATM 3197 O HOH 157 15.865 23.020 -20.489 1.00 18.80 O HETATM 3198 O HOH 158 17.940 26.138 -11.854 1.00 18.68 O HETATM 3199 O HOH 159 18.494 24.334 -15.225 1.00 11.48 O HETATM 3200 O HOH 160 17.828 23.075 -7.464 1.00 26.63 O HETATM 3201 O HOH 161 15.658 26.468 -8.722 1.00 30.23 O HETATM 3202 O HOH 162 15.560 24.126 -6.424 1.00 35.85 O HETATM 3203 O HOH 163 17.651 20.296 -7.927 1.00 12.76 O HETATM 3204 O HOH 164 25.554 23.097 -9.951 1.00 25.86 O HETATM 3205 O HOH 165 27.132 17.161 -10.533 1.00 43.11 O HETATM 3206 O HOH 166 28.167 18.902 -12.234 1.00 40.62 O HETATM 3207 O HOH 167 20.646 26.053 -12.446 1.00 21.91 O HETATM 3208 O HOH 168 26.853 16.123 -15.740 1.00 34.21 O HETATM 3209 O HOH 169 16.550 16.615 -21.476 1.00 19.08 O HETATM 3210 O HOH 170 19.166 10.784 -19.626 1.00 34.90 O HETATM 3211 O HOH 171 17.776 11.821 -23.563 1.00 31.85 O HETATM 3212 O HOH 172 25.156 14.399 -12.803 1.00 28.91 O HETATM 3213 O HOH 173 22.465 15.783 -13.516 1.00 13.42 O HETATM 3214 O HOH 174 24.416 16.458 -9.371 1.00 18.08 O HETATM 3215 O HOH 175 22.796 11.856 -8.104 1.00 16.58 O HETATM 3216 O HOH 176 24.902 14.018 -7.363 1.00 33.47 O HETATM 3217 O HOH 177 19.370 16.100 -3.212 1.00 21.24 O HETATM 3218 O HOH 178 21.995 18.028 -6.979 1.00 13.70 O HETATM 3219 O HOH 179 23.008 18.872 -9.514 1.00 13.83 O HETATM 3220 O HOH 180 16.879 19.808 -1.997 1.00 42.16 O HETATM 3221 O HOH 181 14.039 19.800 -1.642 1.00 20.19 O HETATM 3222 O HOH 182 14.331 22.805 -3.379 1.00 32.34 O HETATM 3223 O HOH 183 7.402 23.262 -2.325 1.00 24.64 O HETATM 3224 O HOH 184 11.342 22.777 -0.890 1.00 23.32 O HETATM 3225 O HOH 185 11.573 21.604 3.592 1.00 16.72 O HETATM 3226 O HOH 186 -2.940 14.686 -3.587 1.00 28.00 O HETATM 3227 O HOH 187 7.825 22.716 5.683 1.00 18.04 O HETATM 3228 O HOH 188 -4.955 21.172 1.282 1.00 30.77 O HETATM 3229 O HOH 189 -1.574 19.090 -3.550 1.00 26.78 O HETATM 3230 O HOH 190 -3.776 19.011 9.170 1.00 19.13 O HETATM 3231 O HOH 191 1.655 25.798 11.801 1.00 29.34 O HETATM 3232 O HOH 192 4.439 24.865 7.827 1.00 39.18 O HETATM 3233 O HOH 193 -1.648 29.590 1.424 1.00 31.77 O HETATM 3234 O HOH 194 1.341 24.593 0.186 1.00 21.47 O HETATM 3235 O HOH 195 5.870 -2.308 -1.935 1.00 28.67 O HETATM 3236 C1 UNN A 196 2.742 5.473 7.017 1.00 0.07 C HETATM 3237 C2 UNN A 196 4.079 5.685 7.437 1.00 -0.04 C HETATM 3238 C3 UNN A 196 5.189 5.866 6.531 1.00 -0.08 C HETATM 3239 C4 UNN A 196 4.882 5.811 5.189 1.00 -0.07 C HETATM 3240 C5 UNN A 196 3.589 5.629 4.696 1.00 -0.03 C HETATM 3241 C6 UNN A 196 3.339 5.616 3.295 1.00 -0.06 C HETATM 3242 C7 UNN A 196 2.038 5.409 2.808 1.00 -0.06 C HETATM 3243 C8 UNN A 196 0.844 5.263 3.622 1.00 -0.04 C HETATM 3244 C9 UNN A 196 1.005 5.326 5.009 1.00 0.06 C HETATM 3245 S UNN A 196 -0.446 5.338 5.899 1.00 -0.16 S HETATM 3246 O1 UNN A 196 -1.595 5.445 4.936 1.00 -0.48 O HETATM 3247 O2 UNN A 196 -0.424 6.594 6.602 1.00 -0.48 O HETATM 3248 O3 UNN A 196 -0.604 4.170 6.798 1.00 -0.48 O HETATM 3249 C10 UNN A 196 2.397 5.445 5.591 1.00 0.03 C HETATM 3250 H6 UNN A 196 -0.131 5.112 3.173 1.00 0.06 H HETATM 3251 H5 UNN A 196 1.914 5.353 1.732 1.00 0.06 H HETATM 3252 H4 UNN A 196 4.157 5.767 2.600 1.00 0.06 H HETATM 3253 H3 UNN A 196 5.691 5.915 4.475 1.00 0.05 H HETATM 3254 H2 UNN A 196 6.200 6.035 6.885 1.00 0.06 H HETATM 3255 H1 UNN A 196 4.280 5.713 8.502 1.00 0.05 H HETATM 3256 N UNN A 196 1.735 5.192 7.983 1.00 -0.27 N HETATM 3257 C11 UNN A 196 1.410 5.929 9.063 1.00 0.06 C HETATM 3258 C12 UNN A 196 0.546 5.247 9.996 1.00 -0.04 C HETATM 3259 C13 UNN A 196 0.229 6.001 11.200 1.00 -0.07 C HETATM 3260 C14 UNN A 196 0.659 7.302 11.302 1.00 -0.07 C HETATM 3261 C15 UNN A 196 1.498 7.974 10.341 1.00 -0.07 C HETATM 3262 C16 UNN A 196 1.887 7.227 9.194 1.00 -0.04 C HETATM 3263 H12 UNN A 196 2.538 7.659 8.443 1.00 0.05 H HETATM 3264 H11 UNN A 196 1.817 9.000 10.485 1.00 0.06 H HETATM 3265 H10 UNN A 196 0.343 7.867 12.172 1.00 0.05 H HETATM 3266 H9 UNN A 196 -0.337 5.543 12.003 1.00 0.06 H HETATM 3267 H8 UNN A 196 0.162 4.250 9.814 1.00 0.05 H HETATM 3268 H7 UNN A 196 1.194 4.327 7.840 1.00 0.21 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 258 256 257 3044 CONECT 388 387 3044 CONECT 389 387 3044 CONECT 744 743 1504 CONECT 1003 1002 3041 CONECT 1037 1036 3041 CONECT 1066 1065 3041 CONECT 1097 1096 3041 CONECT 1385 1383 1384 3042 CONECT 1451 1449 1450 3042 CONECT 1504 744 1503 CONECT 1521 1522 1531 1532 1533 CONECT 1531 1521 CONECT 1532 1521 CONECT 1533 1521 CONECT 1778 1776 1777 3042 CONECT 1908 1907 3042 CONECT 2264 2263 3024 CONECT 2523 2522 3043 CONECT 2557 2556 3043 CONECT 2586 2585 3043 CONECT 2617 2616 3043 CONECT 2905 2903 2904 3044 CONECT 3024 2264 3023 CONECT 3041 1003 1037 1066 1097 CONECT 3042 1385 1451 1778 1908 CONECT 3043 2523 2557 2586 2617 CONECT 3044 258 388 389 2905 CONECT 3236 3237 3249 3256 CONECT 3237 3236 3238 3255 CONECT 3238 3237 3239 3254 CONECT 3239 3238 3240 3253 CONECT 3240 3239 3241 3249 CONECT 3241 3240 3242 3252 CONECT 3242 3241 3243 3251 CONECT 3243 3242 3244 3250 CONECT 3244 3243 3245 3249 CONECT 3245 3244 3246 3247 3248 CONECT 3246 3245 CONECT 3247 3245 CONECT 3248 3245 CONECT 3249 3236 3240 3244 CONECT 3250 3243 CONECT 3251 3242 CONECT 3252 3241 CONECT 3253 3239 CONECT 3254 3238 CONECT 3255 3237 CONECT 3256 3236 3257 3268 CONECT 3257 3256 3258 3262 CONECT 3258 3257 3259 3267 CONECT 3259 3258 3260 3266 CONECT 3260 3259 3261 3265 CONECT 3261 3260 3262 3264 CONECT 3262 3257 3261 3263 CONECT 3263 3262 CONECT 3264 3261 CONECT 3265 3260 CONECT 3266 3259 CONECT 3267 3258 CONECT 3268 3256 MASTER 0 0 0 0 0 0 0 0 3266 2 65 16 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 2wor
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2wos
RCSB PDB
PDBbind
100aa, >2WOS_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ow4
RCSB PDB
PDBbind
2AN
2ans
RCSB PDB
PDBbind
2AN
3cfn
RCSB PDB
PDBbind
2AN
3pxf
RCSB PDB
PDBbind
2AN
3pxq
RCSB PDB
PDBbind
2AN
5aut
RCSB PDB
PDBbind
2AN
Entry Information
PDB ID
2wor
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Protein S100-A7
Ligand Name
2AN
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=125uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Biochemistry
Ligand Properties
Formula
C
1
6
H
1
5
NO
3
S
Molecular Weight
301.360
Exact Mass
301.077
No. of atoms
36
No. of bonds
38
Polar Surface Area
98.02
LOGP Value
3.54 (
Computed with XLOGP3
)
5.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
OS(c1cccc2c1c(ccc2)Nc1ccccc1)(O)O
InChI String
InChI=1S/C16H15NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17-20H
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):
P31151
Entrez Gene ID
NCBI Entrez Gene ID:
6278
ASD
Information of known allosteric effects of PDB entries
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