Browse entries in the PDBbind-CN Database
HEADER 1FWU_COMPLEX COMPND 1FWU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 2 ASP ALA SEQRES 1 A 132 ARG GLN PHE LEU ILE TYR ASN GLU ASP HIS LYS ARG CYS SEQRES 2 A 132 VAL ASP ALA LEU SER ALA ILE SER VAL GLN THR ALA THR SEQRES 3 A 132 CYS ASN PRO GLU ALA GLU SER GLN LYS PHE ARG TRP VAL SEQRES 4 A 132 SER ASP SER GLN ILE MET SER VAL ALA PHE LYS LEU CYS SEQRES 5 A 132 LEU GLY VAL PRO SER LYS THR ASP TRP ALA SER VAL THR SEQRES 6 A 132 LEU TYR ALA CYS ASP SER LYS SER GLU TYR GLN LYS TRP SEQRES 7 A 132 GLU CYS LYS ASN ASP THR LEU PHE GLY ILE LYS GLY THR SEQRES 8 A 132 GLU LEU TYR PHE ASN TYR GLY ASN ARG GLN GLU LYS ASN SEQRES 9 A 132 ILE LYS LEU TYR LYS GLY SER GLY LEU TRP SER ARG TRP SEQRES 10 A 132 LYS VAL TYR GLY THR THR ASP ASP LEU CYS SER ARG GLY SEQRES 11 A 132 TYR GLU HET SGA A 265 74 SSBOND 1 CYS A 16 CYS A 30 SSBOND 2 CYS A 55 CYS A 72 SSBOND 3 CYS A 83 CYS A 130 ATOM 1 N ASP A 2 28.526 18.544 25.832 1.00 93.68 N ATOM 2 CA ASP A 2 27.945 19.766 25.206 1.00 93.52 C ATOM 3 C ASP A 2 26.433 19.603 25.059 1.00 91.55 C ATOM 4 O ASP A 2 25.953 19.183 24.004 1.00 92.93 O ATOM 5 CB ASP A 2 28.579 20.000 23.831 1.00 96.55 C ATOM 6 CG ASP A 2 28.339 21.402 23.309 1.00 99.50 C ATOM 7 OD1 ASP A 2 27.417 22.076 23.809 1.00100.00 O ATOM 8 OD2 ASP A 2 29.068 21.829 22.390 1.00100.00 O ATOM 9 HA ASP A 2 28.152 20.626 25.844 1.00 0.00 H ATOM 10 HB2 ASP A 2 29.654 19.836 23.909 1.00 0.00 H ATOM 11 HB3 ASP A 2 28.154 19.287 23.125 1.00 0.00 H ATOM 12 HN3 ASP A 2 28.325 17.719 25.231 1.00 0.00 H ATOM 13 HN2 ASP A 2 28.102 18.402 26.771 1.00 0.00 H ATOM 14 HN1 ASP A 2 29.555 18.661 25.929 1.00 0.00 H ATOM 15 N ALA A 3 25.695 19.934 26.120 1.00 86.44 N ATOM 16 CA ALA A 3 24.235 19.829 26.129 1.00 78.45 C ATOM 17 C ALA A 3 23.636 20.527 24.914 1.00 72.61 C ATOM 18 O ALA A 3 22.465 20.340 24.591 1.00 73.74 O ATOM 19 CB ALA A 3 23.671 20.431 27.407 1.00 82.48 C ATOM 20 HA ALA A 3 23.969 18.773 26.087 1.00 0.00 H ATOM 21 HB1 ALA A 3 24.072 19.896 28.267 1.00 0.00 H ATOM 22 HB2 ALA A 3 23.953 21.482 27.467 1.00 0.00 H ATOM 23 HB3 ALA A 3 22.584 20.345 27.399 1.00 0.00 H ATOM 24 H ALA A 3 26.176 20.280 26.975 1.00 0.00 H TER 25 ALA A 3 ATOM 26 N ARG A 4 25.966 19.741 25.061 1.00 62.85 N ATOM 27 CA ARG A 4 25.080 20.413 24.071 1.00 48.23 C ATOM 28 C ARG A 4 24.547 19.386 23.074 1.00 39.92 C ATOM 29 O ARG A 4 23.536 19.614 22.411 1.00 32.93 O ATOM 30 CB ARG A 4 25.860 21.513 23.341 1.00 57.18 C ATOM 31 CG ARG A 4 25.011 22.440 22.491 1.00 61.19 C ATOM 32 CD ARG A 4 25.707 23.780 22.285 1.00 68.49 C ATOM 33 NE ARG A 4 27.020 23.640 21.660 1.00 76.62 N ATOM 34 CZ ARG A 4 27.903 24.627 21.545 1.00 79.56 C ATOM 35 NH1 ARG A 4 27.618 25.835 22.014 1.00 81.02 N ATOM 36 NH2 ARG A 4 29.073 24.409 20.960 1.00 81.96 N ATOM 37 HA ARG A 4 24.236 20.867 24.590 1.00 0.00 H ATOM 38 HB2 ARG A 4 26.376 22.116 24.088 1.00 0.00 H ATOM 39 HB3 ARG A 4 26.594 21.035 22.692 1.00 0.00 H ATOM 40 HG2 ARG A 4 24.837 21.975 21.521 1.00 0.00 H ATOM 41 HG3 ARG A 4 24.056 22.607 22.989 1.00 0.00 H ATOM 42 HD2 ARG A 4 25.831 24.262 23.255 1.00 0.00 H ATOM 43 HD3 ARG A 4 25.081 24.405 21.647 1.00 0.00 H ATOM 44 HE ARG A 4 27.281 22.708 21.280 1.00 0.00 H ATOM 45 HH12 ARG A 4 28.311 26.605 21.923 1.00 0.00 H ATOM 46 HH11 ARG A 4 26.702 26.012 22.473 1.00 0.00 H ATOM 47 HH22 ARG A 4 29.762 25.183 20.871 1.00 0.00 H ATOM 48 HH21 ARG A 4 29.301 23.464 20.590 1.00 0.00 H ATOM 49 H ARG A 4 25.481 19.517 25.953 1.00 0.00 H ATOM 50 N GLN A 5 25.226 18.248 22.985 1.00 29.45 N ATOM 51 CA GLN A 5 24.827 17.184 22.069 1.00 28.09 C ATOM 52 C GLN A 5 23.603 16.455 22.603 1.00 27.76 C ATOM 53 O GLN A 5 23.359 16.436 23.808 1.00 21.28 O ATOM 54 CB GLN A 5 25.972 16.183 21.894 1.00 29.83 C ATOM 55 CG GLN A 5 27.270 16.799 21.411 1.00 39.48 C ATOM 56 CD GLN A 5 28.400 15.791 21.357 1.00 45.87 C ATOM 57 OE1 GLN A 5 28.760 15.189 22.370 1.00 53.64 O ATOM 58 NE2 GLN A 5 28.965 15.600 20.173 1.00 50.36 N ATOM 59 HA GLN A 5 24.585 17.634 21.106 1.00 0.00 H ATOM 60 HB2 GLN A 5 26.158 15.705 22.856 1.00 0.00 H ATOM 61 HB3 GLN A 5 25.660 15.431 21.170 1.00 0.00 H ATOM 62 HG2 GLN A 5 27.115 17.206 20.412 1.00 0.00 H ATOM 63 HG3 GLN A 5 27.550 17.604 22.090 1.00 0.00 H ATOM 64 HE22 GLN A 5 28.628 16.131 19.344 1.00 0.00 H ATOM 65 HE21 GLN A 5 29.745 14.919 20.073 1.00 0.00 H ATOM 66 H GLN A 5 26.065 18.111 23.584 1.00 0.00 H ATOM 67 N PHE A 6 22.832 15.854 21.704 1.00 19.54 N ATOM 68 CA PHE A 6 21.646 15.119 22.113 1.00 21.77 C ATOM 69 C PHE A 6 21.183 14.163 21.025 1.00 18.77 C ATOM 70 O PHE A 6 21.631 14.242 19.881 1.00 15.64 O ATOM 71 CB PHE A 6 20.519 16.094 22.466 1.00 18.43 C ATOM 72 CG PHE A 6 20.013 16.903 21.293 1.00 20.38 C ATOM 73 CD1 PHE A 6 18.939 16.453 20.529 1.00 21.13 C ATOM 74 CD2 PHE A 6 20.608 18.115 20.962 1.00 17.42 C ATOM 75 CE1 PHE A 6 18.463 17.198 19.452 1.00 22.21 C ATOM 76 CE2 PHE A 6 20.141 18.872 19.885 1.00 22.07 C ATOM 77 CZ PHE A 6 19.062 18.410 19.126 1.00 24.12 C ATOM 78 HA PHE A 6 21.904 14.530 22.993 1.00 0.00 H ATOM 79 HB2 PHE A 6 19.685 15.521 22.872 1.00 0.00 H ATOM 80 HB3 PHE A 6 20.888 16.784 23.225 1.00 0.00 H ATOM 81 HD2 PHE A 6 21.450 18.479 21.551 1.00 0.00 H ATOM 82 HE2 PHE A 6 20.617 19.821 19.637 1.00 0.00 H ATOM 83 HZ PHE A 6 18.693 18.996 18.284 1.00 0.00 H ATOM 84 HE1 PHE A 6 17.621 16.831 18.865 1.00 0.00 H ATOM 85 HD1 PHE A 6 18.464 15.504 20.777 1.00 0.00 H ATOM 86 H PHE A 6 23.080 15.910 20.695 1.00 0.00 H ATOM 87 N LEU A 7 20.302 13.247 21.402 1.00 17.67 N ATOM 88 CA LEU A 7 19.744 12.290 20.464 1.00 17.29 C ATOM 89 C LEU A 7 18.308 12.719 20.190 1.00 18.99 C ATOM 90 O LEU A 7 17.625 13.225 21.083 1.00 18.26 O ATOM 91 CB LEU A 7 19.777 10.873 21.055 1.00 20.21 C ATOM 92 CG LEU A 7 21.008 10.007 20.751 1.00 19.00 C ATOM 93 CD1 LEU A 7 22.280 10.723 21.193 1.00 18.60 C ATOM 94 CD2 LEU A 7 20.871 8.662 21.458 1.00 18.03 C ATOM 95 HA LEU A 7 20.325 12.270 19.542 1.00 0.00 H ATOM 96 HB2 LEU A 7 19.704 10.969 22.138 1.00 0.00 H ATOM 97 HB3 LEU A 7 18.903 10.342 20.679 1.00 0.00 H ATOM 98 HG LEU A 7 21.073 9.835 19.677 1.00 0.00 H ATOM 99 HD21 LEU A 7 20.797 8.824 22.533 1.00 0.00 H ATOM 100 HD22 LEU A 7 19.973 8.156 21.103 1.00 0.00 H ATOM 101 HD23 LEU A 7 21.745 8.048 21.241 1.00 0.00 H ATOM 102 HD11 LEU A 7 22.368 11.668 20.658 1.00 0.00 H ATOM 103 HD12 LEU A 7 22.234 10.914 22.265 1.00 0.00 H ATOM 104 HD13 LEU A 7 23.144 10.097 20.971 1.00 0.00 H ATOM 105 H LEU A 7 20.002 13.213 22.397 1.00 0.00 H ATOM 106 N ILE A 8 17.868 12.535 18.949 1.00 16.25 N ATOM 107 CA ILE A 8 16.518 12.889 18.518 1.00 15.68 C ATOM 108 C ILE A 8 15.681 11.612 18.607 1.00 18.26 C ATOM 109 O ILE A 8 15.872 10.675 17.836 1.00 16.20 O ATOM 110 CB ILE A 8 16.551 13.421 17.070 1.00 16.35 C ATOM 111 CG1 ILE A 8 17.475 14.645 17.014 1.00 20.20 C ATOM 112 CG2 ILE A 8 15.145 13.783 16.606 1.00 14.25 C ATOM 113 CD1 ILE A 8 17.779 15.154 15.612 1.00 15.79 C ATOM 114 HA ILE A 8 16.092 13.673 19.144 1.00 0.00 H ATOM 115 HB ILE A 8 16.933 12.649 16.402 1.00 0.00 H ATOM 116 HG12 ILE A 8 17.002 15.453 17.573 1.00 0.00 H ATOM 117 HG13 ILE A 8 18.419 14.379 17.490 1.00 0.00 H ATOM 118 HD11 ILE A 8 18.267 14.366 15.038 1.00 0.00 H ATOM 119 HD12 ILE A 8 16.849 15.440 15.121 1.00 0.00 H ATOM 120 HD13 ILE A 8 18.438 16.020 15.676 1.00 0.00 H ATOM 121 HG21 ILE A 8 14.511 12.897 16.645 1.00 0.00 H ATOM 122 HG22 ILE A 8 14.735 14.554 17.259 1.00 0.00 H ATOM 123 HG23 ILE A 8 15.186 14.156 15.583 1.00 0.00 H ATOM 124 H ILE A 8 18.517 12.119 18.251 1.00 0.00 H ATOM 125 N TYR A 9 14.730 11.605 19.537 1.00 15.52 N ATOM 126 CA TYR A 9 13.912 10.428 19.824 1.00 16.17 C ATOM 127 C TYR A 9 12.429 10.483 19.461 1.00 18.08 C ATOM 128 O TYR A 9 11.772 11.497 19.671 1.00 14.83 O ATOM 129 CB TYR A 9 14.051 10.143 21.326 1.00 16.58 C ATOM 130 CG TYR A 9 13.224 9.010 21.894 1.00 19.21 C ATOM 131 CD1 TYR A 9 13.563 7.685 21.651 1.00 20.38 C ATOM 132 CD2 TYR A 9 12.138 9.269 22.738 1.00 17.97 C ATOM 133 CE1 TYR A 9 12.855 6.641 22.238 1.00 23.42 C ATOM 134 CE2 TYR A 9 11.422 8.234 23.326 1.00 20.35 C ATOM 135 CZ TYR A 9 11.787 6.924 23.075 1.00 27.07 C ATOM 136 OH TYR A 9 11.095 5.894 23.670 1.00 23.91 O ATOM 137 HA TYR A 9 14.296 9.643 19.172 1.00 0.00 H ATOM 138 HB3 TYR A 9 13.773 11.052 21.860 1.00 0.00 H ATOM 139 HB2 TYR A 9 15.099 9.915 21.521 1.00 0.00 H ATOM 140 HD2 TYR A 9 11.849 10.301 22.937 1.00 0.00 H ATOM 141 HE2 TYR A 9 10.578 8.453 23.981 1.00 0.00 H ATOM 142 HE1 TYR A 9 13.138 5.607 22.041 1.00 0.00 H ATOM 143 HD1 TYR A 9 14.399 7.459 20.989 1.00 0.00 H ATOM 144 HH TYR A 9 11.483 5.029 23.385 1.00 0.00 H ATOM 145 H TYR A 9 14.561 12.474 20.083 1.00 0.00 H ATOM 146 N ASN A 10 11.912 9.379 18.922 1.00 15.84 N ATOM 147 CA ASN A 10 10.488 9.273 18.604 1.00 17.93 C ATOM 148 C ASN A 10 9.911 8.241 19.568 1.00 20.48 C ATOM 149 O ASN A 10 10.251 7.053 19.512 1.00 19.94 O ATOM 150 CB ASN A 10 10.253 8.817 17.164 1.00 19.79 C ATOM 151 CG ASN A 10 8.772 8.649 16.843 1.00 23.83 C ATOM 152 OD1 ASN A 10 8.239 7.540 16.871 1.00 23.70 O ATOM 153 ND2 ASN A 10 8.099 9.757 16.553 1.00 19.37 N ATOM 154 HA ASN A 10 10.011 10.248 18.704 1.00 0.00 H ATOM 155 HB2 ASN A 10 10.676 9.560 16.488 1.00 0.00 H ATOM 156 HB3 ASN A 10 10.755 7.861 17.013 1.00 0.00 H ATOM 157 HD22 ASN A 10 8.589 10.674 16.540 1.00 0.00 H ATOM 158 HD21 ASN A 10 7.083 9.707 16.339 1.00 0.00 H ATOM 159 H ASN A 10 12.537 8.572 18.722 1.00 0.00 H ATOM 160 N GLU A 11 9.042 8.706 20.456 1.00 20.28 N ATOM 161 CA GLU A 11 8.426 7.852 21.464 1.00 21.73 C ATOM 162 C GLU A 11 7.657 6.652 20.912 1.00 20.96 C ATOM 163 O GLU A 11 7.825 5.534 21.392 1.00 21.81 O ATOM 164 CB GLU A 11 7.495 8.691 22.348 1.00 26.78 C ATOM 165 CG GLU A 11 7.002 7.971 23.597 1.00 33.24 C ATOM 166 CD GLU A 11 6.085 8.834 24.442 1.00 37.43 C ATOM 167 OE1 GLU A 11 6.448 9.997 24.722 1.00 40.20 O ATOM 168 OE2 GLU A 11 5.003 8.348 24.833 1.00 42.15 O ATOM 169 HA GLU A 11 9.253 7.434 22.037 1.00 0.00 H ATOM 170 HB2 GLU A 11 8.034 9.586 22.659 1.00 0.00 H ATOM 171 HB3 GLU A 11 6.627 8.979 21.754 1.00 0.00 H ATOM 172 HG2 GLU A 11 6.458 7.076 23.293 1.00 0.00 H ATOM 173 HG3 GLU A 11 7.864 7.684 24.199 1.00 0.00 H ATOM 174 H GLU A 11 8.791 9.715 20.432 1.00 0.00 H ATOM 175 N ASP A 12 6.821 6.873 19.903 1.00 22.91 N ATOM 176 CA ASP A 12 6.022 5.786 19.345 1.00 24.14 C ATOM 177 C ASP A 12 6.840 4.606 18.817 1.00 25.57 C ATOM 178 O ASP A 12 6.508 3.450 19.090 1.00 22.06 O ATOM 179 CB ASP A 12 5.089 6.307 18.245 1.00 24.74 C ATOM 180 CG ASP A 12 3.957 5.340 17.948 1.00 31.21 C ATOM 181 OD1 ASP A 12 3.274 4.924 18.910 1.00 28.66 O ATOM 182 OD2 ASP A 12 3.752 4.991 16.769 1.00 37.10 O ATOM 183 HA ASP A 12 5.439 5.401 20.182 1.00 0.00 H ATOM 184 HB2 ASP A 12 4.664 7.258 18.566 1.00 0.00 H ATOM 185 HB3 ASP A 12 5.669 6.459 17.335 1.00 0.00 H ATOM 186 H ASP A 12 6.735 7.831 19.507 1.00 0.00 H ATOM 187 N HIS A 13 7.907 4.892 18.073 1.00 20.54 N ATOM 188 CA HIS A 13 8.761 3.839 17.526 1.00 21.47 C ATOM 189 C HIS A 13 9.862 3.416 18.503 1.00 21.36 C ATOM 190 O HIS A 13 10.463 2.349 18.345 1.00 17.53 O ATOM 191 CB HIS A 13 9.451 4.300 16.232 1.00 21.70 C ATOM 192 CG HIS A 13 8.544 4.394 15.044 1.00 25.11 C ATOM 193 ND1 HIS A 13 7.940 5.571 14.658 1.00 21.27 N ATOM 194 CD2 HIS A 13 8.183 3.468 14.125 1.00 23.56 C ATOM 195 CE1 HIS A 13 7.250 5.367 13.550 1.00 25.23 C ATOM 196 NE2 HIS A 13 7.382 4.095 13.206 1.00 23.24 N ATOM 197 HA HIS A 13 8.099 2.995 17.333 1.00 0.00 H ATOM 198 HB2 HIS A 13 9.884 5.285 16.409 1.00 0.00 H ATOM 199 HB3 HIS A 13 10.246 3.592 15.999 1.00 0.00 H ATOM 200 HD2 HIS A 13 8.475 2.418 14.117 1.00 0.00 H ATOM 201 HE1 HIS A 13 6.671 6.117 13.011 1.00 0.00 H ATOM 202 H HIS A 13 8.138 5.887 17.877 1.00 0.00 H ATOM 203 N LYS A 14 10.122 4.254 19.502 1.00 16.36 N ATOM 204 CA LYS A 14 11.188 3.999 20.467 1.00 20.10 C ATOM 205 C LYS A 14 12.498 3.866 19.694 1.00 22.11 C ATOM 206 O LYS A 14 13.271 2.931 19.906 1.00 21.47 O ATOM 207 CB LYS A 14 10.914 2.720 21.272 1.00 22.74 C ATOM 208 CG LYS A 14 9.716 2.827 22.209 1.00 27.36 C ATOM 209 CD LYS A 14 9.526 1.558 23.033 1.00 31.78 C ATOM 210 CE LYS A 14 9.142 0.372 22.159 1.00 30.14 C ATOM 211 NZ LYS A 14 8.917 -0.865 22.958 1.00 30.56 N ATOM 212 HA LYS A 14 11.244 4.823 21.178 1.00 0.00 H ATOM 213 HB2 LYS A 14 10.731 1.905 20.571 1.00 0.00 H ATOM 214 HB3 LYS A 14 11.798 2.493 21.868 1.00 0.00 H ATOM 215 HG2 LYS A 14 9.871 3.667 22.886 1.00 0.00 H ATOM 216 HG3 LYS A 14 8.818 3.001 21.616 1.00 0.00 H ATOM 217 HD2 LYS A 14 10.458 1.329 23.550 1.00 0.00 H ATOM 218 HD3 LYS A 14 8.737 1.727 23.766 1.00 0.00 H ATOM 219 HE2 LYS A 14 9.944 0.188 21.444 1.00 0.00 H ATOM 220 HE3 LYS A 14 8.226 0.614 21.621 1.00 0.00 H ATOM 221 HZ1 LYS A 14 9.789 -1.109 23.470 1.00 0.00 H ATOM 222 HZ2 LYS A 14 8.148 -0.702 23.639 1.00 0.00 H ATOM 223 HZ3 LYS A 14 8.658 -1.645 22.321 1.00 0.00 H ATOM 224 H LYS A 14 9.549 5.117 19.599 1.00 0.00 H ATOM 225 N ARG A 15 12.735 4.809 18.784 1.00 19.21 N ATOM 226 CA ARG A 15 13.950 4.819 17.973 1.00 21.06 C ATOM 227 C ARG A 15 14.524 6.228 17.882 1.00 18.14 C ATOM 228 O ARG A 15 13.821 7.213 18.123 1.00 15.34 O ATOM 229 CB ARG A 15 13.663 4.276 16.566 1.00 19.20 C ATOM 230 CG ARG A 15 13.367 2.773 16.539 1.00 22.82 C ATOM 231 CD ARG A 15 12.913 2.307 15.164 1.00 27.22 C ATOM 232 NE ARG A 15 13.987 2.302 14.171 1.00 27.77 N ATOM 233 CZ ARG A 15 14.859 1.311 14.012 1.00 32.08 C ATOM 234 NH1 ARG A 15 14.795 0.235 14.781 1.00 35.46 N ATOM 235 NH2 ARG A 15 15.788 1.389 13.071 1.00 27.16 N ATOM 236 HA ARG A 15 14.685 4.174 18.455 1.00 0.00 H ATOM 237 HB2 ARG A 15 12.800 4.805 16.161 1.00 0.00 H ATOM 238 HB3 ARG A 15 14.533 4.468 15.938 1.00 0.00 H ATOM 239 HG2 ARG A 15 14.272 2.231 16.814 1.00 0.00 H ATOM 240 HG3 ARG A 15 12.581 2.556 17.262 1.00 0.00 H ATOM 241 HD2 ARG A 15 12.123 2.973 14.816 1.00 0.00 H ATOM 242 HD3 ARG A 15 12.520 1.294 15.254 1.00 0.00 H ATOM 243 HE ARG A 15 14.074 3.130 13.547 1.00 0.00 H ATOM 244 HH12 ARG A 15 15.479 -0.537 14.653 1.00 0.00 H ATOM 245 HH11 ARG A 15 14.060 0.162 15.513 1.00 0.00 H ATOM 246 HH22 ARG A 15 16.470 0.613 12.948 1.00 0.00 H ATOM 247 HH21 ARG A 15 15.836 2.226 12.456 1.00 0.00 H ATOM 248 H ARG A 15 12.032 5.563 18.646 1.00 0.00 H ATOM 249 N CYS A 16 15.808 6.315 17.542 1.00 19.40 N ATOM 250 CA CYS A 16 16.496 7.602 17.433 1.00 18.44 C ATOM 251 C CYS A 16 17.014 7.848 16.024 1.00 18.02 C ATOM 252 O CYS A 16 17.267 6.905 15.280 1.00 18.09 O ATOM 253 CB CYS A 16 17.663 7.663 18.430 1.00 19.42 C ATOM 254 SG CYS A 16 17.125 7.871 20.162 1.00 18.69 S ATOM 255 HA CYS A 16 15.771 8.382 17.666 1.00 0.00 H ATOM 256 HB2 CYS A 16 18.303 8.504 18.163 1.00 0.00 H ATOM 257 HB3 CYS A 16 18.232 6.737 18.353 1.00 0.00 H ATOM 258 H CYS A 16 16.338 5.442 17.348 1.00 0.00 H ATOM 259 N VAL A 17 17.158 9.121 15.667 1.00 13.63 N ATOM 260 CA VAL A 17 17.661 9.498 14.347 1.00 13.97 C ATOM 261 C VAL A 17 19.111 9.042 14.236 1.00 14.38 C ATOM 262 O VAL A 17 19.888 9.184 15.179 1.00 14.55 O ATOM 263 CB VAL A 17 17.572 11.019 14.145 1.00 10.67 C ATOM 264 CG1 VAL A 17 18.183 11.409 12.807 1.00 14.13 C ATOM 265 CG2 VAL A 17 16.106 11.464 14.218 1.00 14.04 C ATOM 266 HA VAL A 17 17.055 9.021 13.577 1.00 0.00 H ATOM 267 HB VAL A 17 18.132 11.519 14.935 1.00 0.00 H ATOM 268 HG11 VAL A 17 19.230 11.107 12.785 1.00 0.00 H ATOM 269 HG12 VAL A 17 17.642 10.910 12.003 1.00 0.00 H ATOM 270 HG13 VAL A 17 18.113 12.489 12.678 1.00 0.00 H ATOM 271 HG21 VAL A 17 15.536 10.961 13.437 1.00 0.00 H ATOM 272 HG22 VAL A 17 15.697 11.203 15.194 1.00 0.00 H ATOM 273 HG23 VAL A 17 16.048 12.543 14.074 1.00 0.00 H ATOM 274 H VAL A 17 16.906 9.868 16.345 1.00 0.00 H ATOM 275 N ASP A 18 19.477 8.501 13.077 1.00 15.77 N ATOM 276 CA ASP A 18 20.825 7.990 12.866 1.00 15.05 C ATOM 277 C ASP A 18 21.390 8.426 11.517 1.00 16.69 C ATOM 278 O ASP A 18 20.875 8.045 10.467 1.00 17.61 O ATOM 279 CB ASP A 18 20.779 6.462 12.972 1.00 15.76 C ATOM 280 CG ASP A 18 22.144 5.818 12.888 1.00 24.73 C ATOM 281 OD1 ASP A 18 23.148 6.472 13.235 1.00 23.58 O ATOM 282 OD2 ASP A 18 22.201 4.636 12.492 1.00 23.07 O ATOM 283 HA ASP A 18 21.489 8.400 13.627 1.00 0.00 H ATOM 284 HB2 ASP A 18 20.327 6.194 13.927 1.00 0.00 H ATOM 285 HB3 ASP A 18 20.163 6.076 12.160 1.00 0.00 H ATOM 286 H ASP A 18 18.785 8.441 12.303 1.00 0.00 H ATOM 287 N ALA A 19 22.450 9.230 11.556 1.00 18.16 N ATOM 288 CA ALA A 19 23.084 9.724 10.336 1.00 13.76 C ATOM 289 C ALA A 19 24.024 8.662 9.773 1.00 17.79 C ATOM 290 O ALA A 19 24.961 8.231 10.448 1.00 15.54 O ATOM 291 CB ALA A 19 23.846 11.001 10.634 1.00 16.71 C ATOM 292 HA ALA A 19 22.316 9.939 9.593 1.00 0.00 H ATOM 293 HB1 ALA A 19 23.156 11.755 11.013 1.00 0.00 H ATOM 294 HB2 ALA A 19 24.612 10.799 11.383 1.00 0.00 H ATOM 295 HB3 ALA A 19 24.316 11.364 9.720 1.00 0.00 H ATOM 296 H ALA A 19 22.837 9.514 12.479 1.00 0.00 H ATOM 297 N LEU A 20 23.773 8.245 8.534 1.00 18.02 N ATOM 298 CA LEU A 20 24.591 7.223 7.890 1.00 22.82 C ATOM 299 C LEU A 20 25.563 7.820 6.877 1.00 23.51 C ATOM 300 O LEU A 20 26.663 7.301 6.676 1.00 19.73 O ATOM 301 CB LEU A 20 23.691 6.181 7.217 1.00 22.00 C ATOM 302 CG LEU A 20 22.772 5.400 8.164 1.00 24.25 C ATOM 303 CD1 LEU A 20 21.994 4.353 7.383 1.00 21.73 C ATOM 304 CD2 LEU A 20 23.600 4.733 9.253 1.00 29.31 C ATOM 305 HA LEU A 20 25.188 6.741 8.664 1.00 0.00 H ATOM 306 HB2 LEU A 20 23.065 6.696 6.489 1.00 0.00 H ATOM 307 HB3 LEU A 20 24.331 5.465 6.702 1.00 0.00 H ATOM 308 HG LEU A 20 22.067 6.089 8.628 1.00 0.00 H ATOM 309 HD21 LEU A 20 24.314 4.048 8.796 1.00 0.00 H ATOM 310 HD22 LEU A 20 24.136 5.495 9.818 1.00 0.00 H ATOM 311 HD23 LEU A 20 22.940 4.180 9.922 1.00 0.00 H ATOM 312 HD11 LEU A 20 21.391 4.845 6.620 1.00 0.00 H ATOM 313 HD12 LEU A 20 22.692 3.663 6.908 1.00 0.00 H ATOM 314 HD13 LEU A 20 21.344 3.803 8.063 1.00 0.00 H ATOM 315 H LEU A 20 22.974 8.658 8.012 1.00 0.00 H ATOM 316 N SER A 21 25.154 8.912 6.241 1.00 19.16 N ATOM 317 CA SER A 21 26.003 9.590 5.268 1.00 20.27 C ATOM 318 C SER A 21 25.359 10.920 4.923 1.00 18.00 C ATOM 319 O SER A 21 24.241 11.207 5.356 1.00 20.13 O ATOM 320 CB SER A 21 26.149 8.751 3.995 1.00 16.85 C ATOM 321 OG SER A 21 24.970 8.815 3.214 1.00 18.99 O ATOM 322 HA SER A 21 26.995 9.738 5.694 1.00 0.00 H ATOM 323 HB2 SER A 21 26.340 7.714 4.270 1.00 0.00 H ATOM 324 HB3 SER A 21 26.987 9.131 3.410 1.00 0.00 H ATOM 325 HG SER A 21 25.086 8.267 2.398 1.00 0.00 H ATOM 326 H SER A 21 24.207 9.292 6.441 1.00 0.00 H ATOM 327 N ALA A 22 26.057 11.729 4.136 1.00 16.05 N ATOM 328 CA ALA A 22 25.514 13.024 3.736 1.00 20.22 C ATOM 329 C ALA A 22 24.161 12.862 3.030 1.00 20.86 C ATOM 330 O ALA A 22 23.312 13.750 3.099 1.00 19.47 O ATOM 331 CB ALA A 22 26.503 13.745 2.821 1.00 22.29 C ATOM 332 HA ALA A 22 25.357 13.620 4.635 1.00 0.00 H ATOM 333 HB1 ALA A 22 27.442 13.898 3.352 1.00 0.00 H ATOM 334 HB2 ALA A 22 26.681 13.140 1.932 1.00 0.00 H ATOM 335 HB3 ALA A 22 26.088 14.710 2.528 1.00 0.00 H ATOM 336 H ALA A 22 26.998 11.438 3.802 1.00 0.00 H ATOM 337 N ILE A 23 23.953 11.729 2.358 1.00 19.53 N ATOM 338 CA ILE A 23 22.688 11.507 1.651 1.00 19.16 C ATOM 339 C ILE A 23 21.782 10.474 2.316 1.00 20.18 C ATOM 340 O ILE A 23 20.809 10.007 1.715 1.00 18.53 O ATOM 341 CB ILE A 23 22.924 11.047 0.184 1.00 24.15 C ATOM 342 CG1 ILE A 23 23.556 9.653 0.162 1.00 18.75 C ATOM 343 CG2 ILE A 23 23.815 12.051 -0.541 1.00 19.69 C ATOM 344 CD1 ILE A 23 23.514 8.977 -1.206 1.00 24.13 C ATOM 345 HA ILE A 23 22.191 12.477 1.681 1.00 0.00 H ATOM 346 HB ILE A 23 21.965 10.998 -0.331 1.00 0.00 H ATOM 347 HG12 ILE A 23 24.598 9.743 0.469 1.00 0.00 H ATOM 348 HG13 ILE A 23 23.022 9.023 0.873 1.00 0.00 H ATOM 349 HD11 ILE A 23 22.477 8.867 -1.524 1.00 0.00 H ATOM 350 HD12 ILE A 23 24.054 9.589 -1.929 1.00 0.00 H ATOM 351 HD13 ILE A 23 23.981 7.994 -1.139 1.00 0.00 H ATOM 352 HG21 ILE A 23 23.331 13.028 -0.544 1.00 0.00 H ATOM 353 HG22 ILE A 23 24.774 12.121 -0.028 1.00 0.00 H ATOM 354 HG23 ILE A 23 23.974 11.719 -1.567 1.00 0.00 H ATOM 355 H ILE A 23 24.693 10.998 2.335 1.00 0.00 H ATOM 356 N SER A 24 22.081 10.126 3.563 1.00 16.41 N ATOM 357 CA SER A 24 21.283 9.119 4.247 1.00 20.68 C ATOM 358 C SER A 24 21.177 9.333 5.751 1.00 19.55 C ATOM 359 O SER A 24 22.161 9.229 6.483 1.00 20.14 O ATOM 360 CB SER A 24 21.868 7.732 3.973 1.00 17.81 C ATOM 361 OG SER A 24 21.109 6.709 4.599 1.00 20.12 O ATOM 362 HA SER A 24 20.272 9.206 3.849 1.00 0.00 H ATOM 363 HB2 SER A 24 22.889 7.698 4.353 1.00 0.00 H ATOM 364 HB3 SER A 24 21.876 7.558 2.897 1.00 0.00 H ATOM 365 HG SER A 24 20.181 6.730 4.254 1.00 0.00 H ATOM 366 H SER A 24 22.884 10.573 4.050 1.00 0.00 H ATOM 367 N VAL A 25 19.967 9.629 6.200 1.00 17.37 N ATOM 368 CA VAL A 25 19.699 9.827 7.615 1.00 16.30 C ATOM 369 C VAL A 25 18.488 8.968 7.923 1.00 14.06 C ATOM 370 O VAL A 25 17.385 9.225 7.439 1.00 15.35 O ATOM 371 CB VAL A 25 19.413 11.308 7.941 1.00 13.17 C ATOM 372 CG1 VAL A 25 18.945 11.445 9.395 1.00 17.01 C ATOM 373 CG2 VAL A 25 20.683 12.134 7.727 1.00 15.88 C ATOM 374 HA VAL A 25 20.563 9.549 8.219 1.00 0.00 H ATOM 375 HB VAL A 25 18.627 11.674 7.280 1.00 0.00 H ATOM 376 HG11 VAL A 25 18.034 10.864 9.539 1.00 0.00 H ATOM 377 HG12 VAL A 25 19.723 11.074 10.062 1.00 0.00 H ATOM 378 HG13 VAL A 25 18.746 12.494 9.614 1.00 0.00 H ATOM 379 HG21 VAL A 25 21.471 11.763 8.383 1.00 0.00 H ATOM 380 HG22 VAL A 25 21.002 12.046 6.688 1.00 0.00 H ATOM 381 HG23 VAL A 25 20.478 13.179 7.958 1.00 0.00 H ATOM 382 H VAL A 25 19.185 9.723 5.520 1.00 0.00 H ATOM 383 N GLN A 26 18.709 7.922 8.708 1.00 16.37 N ATOM 384 CA GLN A 26 17.642 6.999 9.053 1.00 17.45 C ATOM 385 C GLN A 26 17.411 6.983 10.559 1.00 15.52 C ATOM 386 O GLN A 26 17.522 8.020 11.224 1.00 14.99 O ATOM 387 CB GLN A 26 17.996 5.599 8.524 1.00 17.17 C ATOM 388 CG GLN A 26 18.321 5.595 7.013 1.00 19.49 C ATOM 389 CD GLN A 26 18.577 4.204 6.441 1.00 21.95 C ATOM 390 OE1 GLN A 26 18.750 3.239 7.181 1.00 18.17 O ATOM 391 NE2 GLN A 26 18.613 4.104 5.112 1.00 21.01 N ATOM 392 HA GLN A 26 16.712 7.325 8.588 1.00 0.00 H ATOM 393 HB2 GLN A 26 18.865 5.230 9.069 1.00 0.00 H ATOM 394 HB3 GLN A 26 17.150 4.935 8.700 1.00 0.00 H ATOM 395 HG2 GLN A 26 17.480 6.037 6.479 1.00 0.00 H ATOM 396 HG3 GLN A 26 19.211 6.202 6.851 1.00 0.00 H ATOM 397 HE22 GLN A 26 18.461 4.947 4.523 1.00 0.00 H ATOM 398 HE21 GLN A 26 18.793 3.183 4.665 1.00 0.00 H ATOM 399 H GLN A 26 19.665 7.760 9.084 1.00 0.00 H ATOM 400 N THR A 27 17.062 5.819 11.094 1.00 18.32 N ATOM 401 CA THR A 27 16.834 5.681 12.527 1.00 18.28 C ATOM 402 C THR A 27 17.480 4.391 13.000 1.00 21.30 C ATOM 403 O THR A 27 17.832 3.529 12.193 1.00 17.94 O ATOM 404 CB THR A 27 15.334 5.618 12.868 1.00 20.27 C ATOM 405 OG1 THR A 27 14.748 4.477 12.228 1.00 23.11 O ATOM 406 CG2 THR A 27 14.622 6.881 12.405 1.00 19.64 C ATOM 407 HA THR A 27 17.264 6.553 13.020 1.00 0.00 H ATOM 408 HB THR A 27 15.225 5.535 13.949 1.00 0.00 H ATOM 409 HG1 THR A 27 14.862 4.555 11.248 1.00 0.00 H ATOM 410 HG23 THR A 27 15.069 7.748 12.892 1.00 0.00 H ATOM 411 HG21 THR A 27 14.723 6.978 11.324 1.00 0.00 H ATOM 412 HG22 THR A 27 13.566 6.819 12.668 1.00 0.00 H ATOM 413 H THR A 27 16.949 4.989 10.478 1.00 0.00 H ATOM 414 N ALA A 28 17.641 4.261 14.309 1.00 18.00 N ATOM 415 CA ALA A 28 18.239 3.061 14.881 1.00 20.47 C ATOM 416 C ALA A 28 17.872 2.963 16.348 1.00 18.81 C ATOM 417 O ALA A 28 17.329 3.904 16.926 1.00 17.61 O ATOM 418 CB ALA A 28 19.750 3.108 14.736 1.00 21.59 C ATOM 419 HA ALA A 28 17.860 2.188 14.350 1.00 0.00 H ATOM 420 HB1 ALA A 28 20.011 3.168 13.679 1.00 0.00 H ATOM 421 HB2 ALA A 28 20.137 3.984 15.258 1.00 0.00 H ATOM 422 HB3 ALA A 28 20.183 2.206 15.167 1.00 0.00 H ATOM 423 H ALA A 28 17.335 5.029 14.940 1.00 0.00 H ATOM 424 N THR A 29 18.147 1.811 16.947 1.00 18.73 N ATOM 425 CA THR A 29 17.888 1.639 18.366 1.00 18.01 C ATOM 426 C THR A 29 18.767 2.710 19.018 1.00 16.72 C ATOM 427 O THR A 29 19.935 2.863 18.660 1.00 19.70 O ATOM 428 CB THR A 29 18.321 0.230 18.836 1.00 20.17 C ATOM 429 OG1 THR A 29 17.601 -0.757 18.092 1.00 32.54 O ATOM 430 CG2 THR A 29 18.012 0.039 20.299 1.00 31.56 C ATOM 431 HA THR A 29 16.832 1.734 18.619 1.00 0.00 H ATOM 432 HB THR A 29 19.394 0.128 18.677 1.00 0.00 H ATOM 433 HG1 THR A 29 17.800 -0.652 17.128 1.00 0.00 H ATOM 434 HG23 THR A 29 18.553 0.783 20.883 1.00 0.00 H ATOM 435 HG21 THR A 29 16.940 0.156 20.461 1.00 0.00 H ATOM 436 HG22 THR A 29 18.320 -0.960 20.607 1.00 0.00 H ATOM 437 H THR A 29 18.551 1.026 16.397 1.00 0.00 H ATOM 438 N CYS A 30 18.209 3.460 19.960 1.00 14.95 N ATOM 439 CA CYS A 30 18.958 4.533 20.605 1.00 17.07 C ATOM 440 C CYS A 30 20.190 4.089 21.373 1.00 19.69 C ATOM 441 O CYS A 30 20.133 3.172 22.192 1.00 20.14 O ATOM 442 CB CYS A 30 18.051 5.319 21.545 1.00 17.28 C ATOM 443 SG CYS A 30 16.568 6.009 20.762 1.00 17.62 S ATOM 444 HA CYS A 30 19.317 5.152 19.783 1.00 0.00 H ATOM 445 HB2 CYS A 30 18.628 6.143 21.965 1.00 0.00 H ATOM 446 HB3 CYS A 30 17.734 4.653 22.347 1.00 0.00 H ATOM 447 H CYS A 30 17.224 3.280 20.242 1.00 0.00 H ATOM 448 N ASN A 31 21.304 4.763 21.099 1.00 19.51 N ATOM 449 CA ASN A 31 22.578 4.487 21.753 1.00 15.49 C ATOM 450 C ASN A 31 23.262 5.841 21.923 1.00 19.26 C ATOM 451 O ASN A 31 23.753 6.421 20.954 1.00 18.71 O ATOM 452 CB ASN A 31 23.443 3.575 20.877 1.00 15.55 C ATOM 453 CG ASN A 31 24.732 3.155 21.564 1.00 19.02 C ATOM 454 OD1 ASN A 31 25.177 3.798 22.514 1.00 17.45 O ATOM 455 ND2 ASN A 31 25.343 2.078 21.076 1.00 19.90 N ATOM 456 HA ASN A 31 22.432 3.982 22.708 1.00 0.00 H ATOM 457 HB2 ASN A 31 22.870 2.681 20.632 1.00 0.00 H ATOM 458 HB3 ASN A 31 23.694 4.107 19.959 1.00 0.00 H ATOM 459 HD22 ASN A 31 24.929 1.566 20.271 1.00 0.00 H ATOM 460 HD21 ASN A 31 26.234 1.749 21.500 1.00 0.00 H ATOM 461 H ASN A 31 21.265 5.520 20.387 1.00 0.00 H ATOM 462 N PRO A 32 23.304 6.364 23.158 1.00 19.87 N ATOM 463 CA PRO A 32 23.929 7.660 23.434 1.00 22.07 C ATOM 464 C PRO A 32 25.439 7.696 23.224 1.00 20.92 C ATOM 465 O PRO A 32 26.054 8.760 23.312 1.00 23.77 O ATOM 466 CB PRO A 32 23.538 7.921 24.884 1.00 23.75 C ATOM 467 CG PRO A 32 23.562 6.542 25.469 1.00 22.80 C ATOM 468 CD PRO A 32 22.831 5.738 24.407 1.00 19.07 C ATOM 469 HA PRO A 32 23.588 8.427 22.739 1.00 0.00 H ATOM 470 HD3 PRO A 32 23.107 4.684 24.450 1.00 0.00 H ATOM 471 HD2 PRO A 32 21.750 5.834 24.513 1.00 0.00 H ATOM 472 HG3 PRO A 32 23.038 6.507 26.424 1.00 0.00 H ATOM 473 HG2 PRO A 32 24.583 6.186 25.603 1.00 0.00 H ATOM 474 HB2 PRO A 32 24.259 8.573 25.377 1.00 0.00 H ATOM 475 HB3 PRO A 32 22.544 8.363 24.953 1.00 0.00 H ATOM 476 N GLU A 33 26.029 6.536 22.950 1.00 21.99 N ATOM 477 CA GLU A 33 27.468 6.432 22.721 1.00 21.53 C ATOM 478 C GLU A 33 27.784 6.432 21.230 1.00 23.38 C ATOM 479 O GLU A 33 28.949 6.492 20.830 1.00 23.60 O ATOM 480 CB GLU A 33 28.013 5.144 23.343 1.00 26.55 C ATOM 481 CG GLU A 33 27.837 5.061 24.849 1.00 21.86 C ATOM 482 CD GLU A 33 28.235 3.706 25.406 1.00 23.60 C ATOM 483 OE1 GLU A 33 28.640 2.831 24.613 1.00 23.03 O ATOM 484 OE2 GLU A 33 28.140 3.519 26.638 1.00 24.26 O ATOM 485 HA GLU A 33 27.941 7.296 23.187 1.00 0.00 H ATOM 486 HB2 GLU A 33 27.495 4.299 22.890 1.00 0.00 H ATOM 487 HB3 GLU A 33 29.078 5.079 23.118 1.00 0.00 H ATOM 488 HG2 GLU A 33 28.456 5.827 25.316 1.00 0.00 H ATOM 489 HG3 GLU A 33 26.790 5.245 25.090 1.00 0.00 H ATOM 490 H GLU A 33 25.447 5.675 22.897 1.00 0.00 H ATOM 491 N ALA A 34 26.746 6.356 20.404 1.00 20.21 N ATOM 492 CA ALA A 34 26.939 6.333 18.959 1.00 21.62 C ATOM 493 C ALA A 34 27.047 7.746 18.402 1.00 21.83 C ATOM 494 O ALA A 34 26.075 8.497 18.393 1.00 16.22 O ATOM 495 CB ALA A 34 25.790 5.590 18.286 1.00 22.72 C ATOM 496 HA ALA A 34 27.872 5.810 18.748 1.00 0.00 H ATOM 497 HB1 ALA A 34 25.754 4.566 18.658 1.00 0.00 H ATOM 498 HB2 ALA A 34 24.851 6.094 18.513 1.00 0.00 H ATOM 499 HB3 ALA A 34 25.947 5.581 17.207 1.00 0.00 H ATOM 500 H ALA A 34 25.783 6.312 20.794 1.00 0.00 H ATOM 501 N GLU A 35 28.237 8.103 17.938 1.00 19.83 N ATOM 502 CA GLU A 35 28.462 9.428 17.374 1.00 21.48 C ATOM 503 C GLU A 35 27.458 9.764 16.271 1.00 15.64 C ATOM 504 O GLU A 35 27.007 10.903 16.166 1.00 19.76 O ATOM 505 CB GLU A 35 29.882 9.530 16.808 1.00 27.61 C ATOM 506 CG GLU A 35 30.981 9.473 17.853 1.00 37.27 C ATOM 507 CD GLU A 35 30.815 10.527 18.932 1.00 41.88 C ATOM 508 OE1 GLU A 35 30.129 10.251 19.938 1.00 47.44 O ATOM 509 OE2 GLU A 35 31.361 11.638 18.768 1.00 50.47 O ATOM 510 HA GLU A 35 28.329 10.145 18.184 1.00 0.00 H ATOM 511 HB2 GLU A 35 30.031 8.705 16.111 1.00 0.00 H ATOM 512 HB3 GLU A 35 29.969 10.476 16.273 1.00 0.00 H ATOM 513 HG2 GLU A 35 30.968 8.489 18.321 1.00 0.00 H ATOM 514 HG3 GLU A 35 31.941 9.626 17.360 1.00 0.00 H ATOM 515 H GLU A 35 29.024 7.425 17.977 1.00 0.00 H ATOM 516 N SER A 36 27.111 8.770 15.458 1.00 16.57 N ATOM 517 CA SER A 36 26.174 8.974 14.355 1.00 17.61 C ATOM 518 C SER A 36 24.776 9.393 14.802 1.00 17.54 C ATOM 519 O SER A 36 24.008 9.928 14.010 1.00 16.26 O ATOM 520 CB SER A 36 26.078 7.708 13.499 1.00 20.61 C ATOM 521 OG SER A 36 25.574 6.609 14.241 1.00 25.04 O ATOM 522 HA SER A 36 26.578 9.801 13.771 1.00 0.00 H ATOM 523 HB2 SER A 36 27.071 7.457 13.126 1.00 0.00 H ATOM 524 HB3 SER A 36 25.413 7.900 12.657 1.00 0.00 H ATOM 525 HG SER A 36 24.669 6.827 14.578 1.00 0.00 H ATOM 526 H SER A 36 27.516 7.825 15.611 1.00 0.00 H ATOM 527 N GLN A 37 24.452 9.167 16.071 1.00 15.61 N ATOM 528 CA GLN A 37 23.137 9.527 16.598 1.00 18.49 C ATOM 529 C GLN A 37 23.142 10.862 17.336 1.00 18.29 C ATOM 530 O GLN A 37 22.099 11.327 17.796 1.00 17.65 O ATOM 531 CB GLN A 37 22.640 8.438 17.558 1.00 17.42 C ATOM 532 CG GLN A 37 22.235 7.130 16.882 1.00 13.46 C ATOM 533 CD GLN A 37 21.695 6.116 17.871 1.00 16.96 C ATOM 534 OE1 GLN A 37 20.953 6.464 18.787 1.00 16.09 O ATOM 535 NE2 GLN A 37 22.049 4.852 17.678 1.00 18.01 N ATOM 536 HA GLN A 37 22.473 9.620 15.739 1.00 0.00 H ATOM 537 HB2 GLN A 37 23.438 8.221 18.268 1.00 0.00 H ATOM 538 HB3 GLN A 37 21.774 8.826 18.094 1.00 0.00 H ATOM 539 HG2 GLN A 37 21.465 7.342 16.140 1.00 0.00 H ATOM 540 HG3 GLN A 37 23.108 6.706 16.386 1.00 0.00 H ATOM 541 HE22 GLN A 37 22.679 4.603 16.889 1.00 0.00 H ATOM 542 HE21 GLN A 37 21.696 4.110 18.315 1.00 0.00 H ATOM 543 H GLN A 37 25.149 8.724 16.703 1.00 0.00 H ATOM 544 N LYS A 38 24.314 11.471 17.448 1.00 17.49 N ATOM 545 CA LYS A 38 24.452 12.733 18.160 1.00 18.07 C ATOM 546 C LYS A 38 24.259 13.955 17.275 1.00 19.24 C ATOM 547 O LYS A 38 24.817 14.037 16.179 1.00 15.33 O ATOM 548 CB LYS A 38 25.827 12.806 18.823 1.00 20.81 C ATOM 549 CG LYS A 38 26.082 11.726 19.861 1.00 19.27 C ATOM 550 CD LYS A 38 27.426 11.946 20.546 1.00 27.72 C ATOM 551 CE LYS A 38 27.698 10.883 21.599 1.00 34.36 C ATOM 552 NZ LYS A 38 29.032 11.076 22.241 1.00 37.61 N ATOM 553 HA LYS A 38 23.658 12.752 18.906 1.00 0.00 H ATOM 554 HB2 LYS A 38 26.586 12.718 18.045 1.00 0.00 H ATOM 555 HB3 LYS A 38 25.919 13.776 19.311 1.00 0.00 H ATOM 556 HG2 LYS A 38 25.290 11.754 20.609 1.00 0.00 H ATOM 557 HG3 LYS A 38 26.084 10.752 19.372 1.00 0.00 H ATOM 558 HD2 LYS A 38 28.216 11.911 19.796 1.00 0.00 H ATOM 559 HD3 LYS A 38 27.424 12.926 21.024 1.00 0.00 H ATOM 560 HE2 LYS A 38 27.671 9.901 21.126 1.00 0.00 H ATOM 561 HE3 LYS A 38 26.925 10.937 22.365 1.00 0.00 H ATOM 562 HZ1 LYS A 38 29.776 11.019 21.516 1.00 0.00 H ATOM 563 HZ2 LYS A 38 29.063 12.009 22.699 1.00 0.00 H ATOM 564 HZ3 LYS A 38 29.183 10.333 22.953 1.00 0.00 H ATOM 565 H LYS A 38 25.155 11.037 17.017 1.00 0.00 H ATOM 566 N PHE A 39 23.462 14.902 17.766 1.00 14.36 N ATOM 567 CA PHE A 39 23.198 16.140 17.046 1.00 12.59 C ATOM 568 C PHE A 39 23.311 17.314 18.003 1.00 15.86 C ATOM 569 O PHE A 39 23.352 17.133 19.217 1.00 16.13 O ATOM 570 CB PHE A 39 21.795 16.133 16.426 1.00 16.15 C ATOM 571 CG PHE A 39 21.606 15.080 15.375 1.00 13.82 C ATOM 572 CD1 PHE A 39 21.280 13.775 15.730 1.00 14.39 C ATOM 573 CD2 PHE A 39 21.809 15.381 14.031 1.00 11.67 C ATOM 574 CE1 PHE A 39 21.160 12.780 14.759 1.00 16.78 C ATOM 575 CE2 PHE A 39 21.692 14.397 13.056 1.00 18.21 C ATOM 576 CZ PHE A 39 21.369 13.095 13.419 1.00 19.32 C ATOM 577 HA PHE A 39 23.931 16.231 16.245 1.00 0.00 H ATOM 578 HB2 PHE A 39 21.068 15.961 17.220 1.00 0.00 H ATOM 579 HB3 PHE A 39 21.613 17.108 15.973 1.00 0.00 H ATOM 580 HD2 PHE A 39 22.063 16.400 13.740 1.00 0.00 H ATOM 581 HE2 PHE A 39 21.854 14.647 12.007 1.00 0.00 H ATOM 582 HZ PHE A 39 21.279 12.322 12.656 1.00 0.00 H ATOM 583 HE1 PHE A 39 20.904 11.761 15.048 1.00 0.00 H ATOM 584 HD1 PHE A 39 21.116 13.527 16.779 1.00 0.00 H ATOM 585 H PHE A 39 23.014 14.753 18.693 1.00 0.00 H ATOM 586 N ARG A 40 23.368 18.518 17.449 1.00 14.93 N ATOM 587 CA ARG A 40 23.456 19.720 18.261 1.00 17.31 C ATOM 588 C ARG A 40 23.004 20.931 17.467 1.00 21.93 C ATOM 589 O ARG A 40 23.264 21.025 16.266 1.00 18.47 O ATOM 590 CB ARG A 40 24.897 19.920 18.738 1.00 22.20 C ATOM 591 CG ARG A 40 25.920 20.004 17.617 1.00 27.48 C ATOM 592 CD ARG A 40 27.302 19.650 18.132 1.00 33.42 C ATOM 593 NE ARG A 40 27.647 20.413 19.326 1.00 40.08 N ATOM 594 CZ ARG A 40 28.724 20.188 20.072 1.00 43.14 C ATOM 595 NH1 ARG A 40 29.568 19.218 19.746 1.00 46.36 N ATOM 596 NH2 ARG A 40 28.953 20.930 21.147 1.00 47.65 N ATOM 597 HA ARG A 40 22.802 19.606 19.126 1.00 0.00 H ATOM 598 HB2 ARG A 40 24.942 20.846 19.312 1.00 0.00 H ATOM 599 HB3 ARG A 40 25.163 19.082 19.382 1.00 0.00 H ATOM 600 HG2 ARG A 40 25.643 19.308 16.825 1.00 0.00 H ATOM 601 HG3 ARG A 40 25.934 21.019 17.219 1.00 0.00 H ATOM 602 HD2 ARG A 40 28.034 19.863 17.353 1.00 0.00 H ATOM 603 HD3 ARG A 40 27.328 18.587 18.372 1.00 0.00 H ATOM 604 HE ARG A 40 27.009 21.183 19.612 1.00 0.00 H ATOM 605 HH12 ARG A 40 30.410 19.043 20.331 1.00 0.00 H ATOM 606 HH11 ARG A 40 29.388 18.632 18.906 1.00 0.00 H ATOM 607 HH22 ARG A 40 29.796 20.754 21.731 1.00 0.00 H ATOM 608 HH21 ARG A 40 28.290 21.688 21.407 1.00 0.00 H ATOM 609 H ARG A 40 23.349 18.603 16.413 1.00 0.00 H ATOM 610 N TRP A 41 22.304 21.846 18.133 1.00 18.86 N ATOM 611 CA TRP A 41 21.864 23.067 17.480 1.00 18.67 C ATOM 612 C TRP A 41 23.116 23.918 17.292 1.00 19.94 C ATOM 613 O TRP A 41 23.974 23.968 18.177 1.00 23.06 O ATOM 614 CB TRP A 41 20.864 23.823 18.356 1.00 17.76 C ATOM 615 CG TRP A 41 19.514 23.189 18.435 1.00 15.34 C ATOM 616 CD1 TRP A 41 19.091 22.246 19.336 1.00 19.34 C ATOM 617 CD2 TRP A 41 18.399 23.456 17.580 1.00 16.18 C ATOM 618 NE1 TRP A 41 17.775 21.918 19.092 1.00 17.14 N ATOM 619 CE2 TRP A 41 17.328 22.645 18.021 1.00 18.06 C ATOM 620 CE3 TRP A 41 18.200 24.303 16.481 1.00 17.72 C ATOM 621 CZ2 TRP A 41 16.072 22.659 17.398 1.00 14.95 C ATOM 622 CZ3 TRP A 41 16.956 24.317 15.864 1.00 15.69 C ATOM 623 CH2 TRP A 41 15.906 23.498 16.327 1.00 21.63 C ATOM 624 HA TRP A 41 21.370 22.844 16.534 1.00 0.00 H ATOM 625 HB2 TRP A 41 21.272 23.885 19.365 1.00 0.00 H ATOM 626 HB3 TRP A 41 20.746 24.828 17.951 1.00 0.00 H ATOM 627 HE1 TRP A 41 17.213 21.230 19.633 1.00 0.00 H ATOM 628 HD1 TRP A 41 19.705 21.819 20.129 1.00 0.00 H ATOM 629 HZ2 TRP A 41 15.258 22.026 17.752 1.00 0.00 H ATOM 630 HH2 TRP A 41 14.941 23.533 15.822 1.00 0.00 H ATOM 631 HZ3 TRP A 41 16.789 24.971 15.008 1.00 0.00 H ATOM 632 HE3 TRP A 41 19.007 24.939 16.117 1.00 0.00 H ATOM 633 H TRP A 41 22.069 21.685 19.133 1.00 0.00 H ATOM 634 N VAL A 42 23.235 24.564 16.140 1.00 21.85 N ATOM 635 CA VAL A 42 24.392 25.409 15.870 1.00 24.00 C ATOM 636 C VAL A 42 23.937 26.838 15.615 1.00 25.99 C ATOM 637 O VAL A 42 24.734 27.704 15.270 1.00 28.54 O ATOM 638 CB VAL A 42 25.199 24.894 14.656 1.00 23.51 C ATOM 639 CG1 VAL A 42 25.819 23.546 14.990 1.00 27.68 C ATOM 640 CG2 VAL A 42 24.299 24.782 13.436 1.00 27.98 C ATOM 641 HA VAL A 42 25.042 25.379 16.744 1.00 0.00 H ATOM 642 HB VAL A 42 25.996 25.601 14.428 1.00 0.00 H ATOM 643 HG11 VAL A 42 26.483 23.655 15.847 1.00 0.00 H ATOM 644 HG12 VAL A 42 25.029 22.834 15.229 1.00 0.00 H ATOM 645 HG13 VAL A 42 26.387 23.186 14.132 1.00 0.00 H ATOM 646 HG21 VAL A 42 23.488 24.085 13.647 1.00 0.00 H ATOM 647 HG22 VAL A 42 23.885 25.762 13.200 1.00 0.00 H ATOM 648 HG23 VAL A 42 24.881 24.418 12.589 1.00 0.00 H ATOM 649 H VAL A 42 22.492 24.466 15.419 1.00 0.00 H ATOM 650 N SER A 43 22.642 27.070 15.798 1.00 23.09 N ATOM 651 CA SER A 43 22.042 28.387 15.623 1.00 26.86 C ATOM 652 C SER A 43 20.598 28.282 16.093 1.00 24.01 C ATOM 653 O SER A 43 20.174 27.233 16.575 1.00 24.51 O ATOM 654 CB SER A 43 22.067 28.812 14.153 1.00 24.76 C ATOM 655 OG SER A 43 21.059 28.140 13.418 1.00 24.32 O ATOM 656 HA SER A 43 22.599 29.131 16.192 1.00 0.00 H ATOM 657 HB2 SER A 43 23.041 28.571 13.727 1.00 0.00 H ATOM 658 HB3 SER A 43 21.900 29.887 14.089 1.00 0.00 H ATOM 659 HG SER A 43 21.094 28.430 12.472 1.00 0.00 H ATOM 660 H SER A 43 22.029 26.278 16.078 1.00 0.00 H ATOM 661 N ASP A 44 19.843 29.366 15.947 1.00 23.92 N ATOM 662 CA ASP A 44 18.443 29.382 16.358 1.00 25.32 C ATOM 663 C ASP A 44 17.554 28.492 15.496 1.00 24.60 C ATOM 664 O ASP A 44 16.419 28.203 15.870 1.00 25.07 O ATOM 665 CB ASP A 44 17.893 30.809 16.308 1.00 28.70 C ATOM 666 CG ASP A 44 18.476 31.702 17.384 1.00 37.08 C ATOM 667 OD1 ASP A 44 18.224 32.923 17.336 1.00 34.72 O ATOM 668 OD2 ASP A 44 19.175 31.188 18.280 1.00 32.56 O ATOM 669 HA ASP A 44 18.423 28.991 17.375 1.00 0.00 H ATOM 670 HB2 ASP A 44 18.127 31.239 15.334 1.00 0.00 H ATOM 671 HB3 ASP A 44 16.811 30.770 16.436 1.00 0.00 H ATOM 672 H ASP A 44 20.260 30.223 15.530 1.00 0.00 H ATOM 673 N SER A 45 18.061 28.041 14.351 1.00 24.82 N ATOM 674 CA SER A 45 17.237 27.222 13.467 1.00 23.09 C ATOM 675 C SER A 45 17.897 26.003 12.832 1.00 19.33 C ATOM 676 O SER A 45 17.228 25.240 12.139 1.00 17.29 O ATOM 677 CB SER A 45 16.677 28.104 12.351 1.00 25.26 C ATOM 678 OG SER A 45 17.734 28.708 11.626 1.00 25.49 O ATOM 679 HA SER A 45 16.471 26.811 14.124 1.00 0.00 H ATOM 680 HB2 SER A 45 16.049 28.881 12.787 1.00 0.00 H ATOM 681 HB3 SER A 45 16.079 27.493 11.675 1.00 0.00 H ATOM 682 HG SER A 45 18.276 29.265 12.238 1.00 0.00 H ATOM 683 H SER A 45 19.040 28.271 14.087 1.00 0.00 H ATOM 684 N GLN A 46 19.189 25.809 13.063 1.00 15.65 N ATOM 685 CA GLN A 46 19.896 24.685 12.453 1.00 18.61 C ATOM 686 C GLN A 46 20.396 23.626 13.418 1.00 19.60 C ATOM 687 O GLN A 46 20.891 23.933 14.506 1.00 19.13 O ATOM 688 CB GLN A 46 21.091 25.197 11.649 1.00 18.08 C ATOM 689 CG GLN A 46 20.754 26.308 10.673 1.00 21.64 C ATOM 690 CD GLN A 46 21.991 27.062 10.244 1.00 21.71 C ATOM 691 OE1 GLN A 46 22.744 26.617 9.373 1.00 23.51 O ATOM 692 NE2 GLN A 46 22.226 28.200 10.880 1.00 20.78 N ATOM 693 HA GLN A 46 19.148 24.201 11.825 1.00 0.00 H ATOM 694 HB2 GLN A 46 21.839 25.571 12.348 1.00 0.00 H ATOM 695 HB3 GLN A 46 21.508 24.362 11.086 1.00 0.00 H ATOM 696 HG2 GLN A 46 20.280 25.875 9.792 1.00 0.00 H ATOM 697 HG3 GLN A 46 20.063 27.003 11.151 1.00 0.00 H ATOM 698 HE22 GLN A 46 21.563 28.536 11.607 1.00 0.00 H ATOM 699 HE21 GLN A 46 23.074 28.758 10.652 1.00 0.00 H ATOM 700 H GLN A 46 19.704 26.464 13.685 1.00 0.00 H ATOM 701 N ILE A 47 20.270 22.372 12.997 1.00 18.32 N ATOM 702 CA ILE A 47 20.731 21.239 13.782 1.00 16.47 C ATOM 703 C ILE A 47 21.814 20.530 12.984 1.00 16.21 C ATOM 704 O ILE A 47 21.592 20.116 11.839 1.00 15.69 O ATOM 705 CB ILE A 47 19.600 20.241 14.076 1.00 17.81 C ATOM 706 CG1 ILE A 47 18.582 20.877 15.026 1.00 19.41 C ATOM 707 CG2 ILE A 47 20.185 18.966 14.689 1.00 16.18 C ATOM 708 CD1 ILE A 47 17.434 19.950 15.407 1.00 21.42 C ATOM 709 HA ILE A 47 21.104 21.607 14.738 1.00 0.00 H ATOM 710 HB ILE A 47 19.093 19.981 13.147 1.00 0.00 H ATOM 711 HG12 ILE A 47 19.101 21.174 15.937 1.00 0.00 H ATOM 712 HG13 ILE A 47 18.165 21.760 14.542 1.00 0.00 H ATOM 713 HD11 ILE A 47 16.896 19.652 14.507 1.00 0.00 H ATOM 714 HD12 ILE A 47 17.833 19.065 15.904 1.00 0.00 H ATOM 715 HD13 ILE A 47 16.755 20.472 16.081 1.00 0.00 H ATOM 716 HG21 ILE A 47 20.890 18.518 13.989 1.00 0.00 H ATOM 717 HG22 ILE A 47 20.700 19.214 15.617 1.00 0.00 H ATOM 718 HG23 ILE A 47 19.380 18.261 14.896 1.00 0.00 H ATOM 719 H ILE A 47 19.826 22.195 12.073 1.00 0.00 H ATOM 720 N MET A 48 22.987 20.400 13.591 1.00 15.64 N ATOM 721 CA MET A 48 24.120 19.760 12.940 1.00 15.48 C ATOM 722 C MET A 48 24.387 18.351 13.453 1.00 19.78 C ATOM 723 O MET A 48 24.254 18.068 14.649 1.00 18.19 O ATOM 724 CB MET A 48 25.380 20.608 13.144 1.00 22.42 C ATOM 725 CG MET A 48 26.644 20.049 12.495 1.00 22.48 C ATOM 726 SD MET A 48 28.144 21.040 12.874 1.00 26.46 S ATOM 727 CE MET A 48 28.610 20.330 14.433 1.00 25.15 C ATOM 728 HA MET A 48 23.868 19.681 11.883 1.00 0.00 H ATOM 729 HB2 MET A 48 25.194 21.597 12.726 1.00 0.00 H ATOM 730 HB3 MET A 48 25.560 20.695 14.216 1.00 0.00 H ATOM 731 HG2 MET A 48 26.502 20.033 11.414 1.00 0.00 H ATOM 732 HG3 MET A 48 26.799 19.032 12.855 1.00 0.00 H ATOM 733 HE1 MET A 48 27.800 20.466 15.149 1.00 0.00 H ATOM 734 HE2 MET A 48 28.806 19.266 14.302 1.00 0.00 H ATOM 735 HE3 MET A 48 29.509 20.824 14.802 1.00 0.00 H ATOM 736 H MET A 48 23.099 20.765 14.558 1.00 0.00 H ATOM 737 N SER A 49 24.747 17.464 12.533 1.00 19.11 N ATOM 738 CA SER A 49 25.101 16.101 12.890 1.00 17.31 C ATOM 739 C SER A 49 26.515 16.192 13.455 1.00 19.51 C ATOM 740 O SER A 49 27.402 16.772 12.819 1.00 17.65 O ATOM 741 CB SER A 49 25.109 15.210 11.644 1.00 15.59 C ATOM 742 OG SER A 49 25.921 14.065 11.844 1.00 17.62 O ATOM 743 HA SER A 49 24.392 15.673 13.599 1.00 0.00 H ATOM 744 HB2 SER A 49 25.498 15.780 10.800 1.00 0.00 H ATOM 745 HB3 SER A 49 24.090 14.891 11.427 1.00 0.00 H ATOM 746 HG SER A 49 25.569 13.542 12.607 1.00 0.00 H ATOM 747 H SER A 49 24.776 17.752 11.534 1.00 0.00 H ATOM 748 N VAL A 50 26.729 15.633 14.642 1.00 17.14 N ATOM 749 CA VAL A 50 28.051 15.665 15.256 1.00 21.04 C ATOM 750 C VAL A 50 29.049 14.832 14.458 1.00 22.31 C ATOM 751 O VAL A 50 30.197 15.239 14.259 1.00 22.13 O ATOM 752 CB VAL A 50 28.006 15.128 16.706 1.00 19.68 C ATOM 753 CG1 VAL A 50 29.418 14.981 17.254 1.00 20.90 C ATOM 754 CG2 VAL A 50 27.198 16.074 17.582 1.00 21.63 C ATOM 755 HA VAL A 50 28.371 16.707 15.264 1.00 0.00 H ATOM 756 HB VAL A 50 27.528 14.149 16.708 1.00 0.00 H ATOM 757 HG11 VAL A 50 29.977 14.283 16.631 1.00 0.00 H ATOM 758 HG12 VAL A 50 29.912 15.953 17.247 1.00 0.00 H ATOM 759 HG13 VAL A 50 29.372 14.602 18.275 1.00 0.00 H ATOM 760 HG21 VAL A 50 27.664 17.059 17.577 1.00 0.00 H ATOM 761 HG22 VAL A 50 26.182 16.149 17.193 1.00 0.00 H ATOM 762 HG23 VAL A 50 27.171 15.689 18.601 1.00 0.00 H ATOM 763 H VAL A 50 25.943 15.167 15.139 1.00 0.00 H ATOM 764 N ALA A 51 28.606 13.667 13.998 1.00 19.87 N ATOM 765 CA ALA A 51 29.469 12.770 13.234 1.00 22.14 C ATOM 766 C ALA A 51 29.940 13.321 11.890 1.00 24.82 C ATOM 767 O ALA A 51 31.082 13.092 11.494 1.00 23.49 O ATOM 768 CB ALA A 51 28.764 11.434 13.016 1.00 21.78 C ATOM 769 HA ALA A 51 30.368 12.650 13.838 1.00 0.00 H ATOM 770 HB1 ALA A 51 28.539 10.982 13.982 1.00 0.00 H ATOM 771 HB2 ALA A 51 27.838 11.599 12.466 1.00 0.00 H ATOM 772 HB3 ALA A 51 29.414 10.770 12.446 1.00 0.00 H ATOM 773 H ALA A 51 27.622 13.387 14.186 1.00 0.00 H ATOM 774 N PHE A 52 29.076 14.050 11.190 1.00 22.24 N ATOM 775 CA PHE A 52 29.446 14.572 9.877 1.00 21.94 C ATOM 776 C PHE A 52 29.732 16.065 9.786 1.00 20.03 C ATOM 777 O PHE A 52 30.260 16.530 8.780 1.00 20.99 O ATOM 778 CB PHE A 52 28.371 14.201 8.845 1.00 21.63 C ATOM 779 CG PHE A 52 28.218 12.721 8.642 1.00 24.79 C ATOM 780 CD1 PHE A 52 27.361 11.979 9.448 1.00 21.08 C ATOM 781 CD2 PHE A 52 28.973 12.059 7.678 1.00 27.86 C ATOM 782 CE1 PHE A 52 27.259 10.598 9.300 1.00 20.13 C ATOM 783 CE2 PHE A 52 28.878 10.677 7.523 1.00 26.93 C ATOM 784 CZ PHE A 52 28.021 9.946 8.336 1.00 27.32 C ATOM 785 HA PHE A 52 30.403 14.095 9.668 1.00 0.00 H ATOM 786 HB2 PHE A 52 27.416 14.603 9.182 1.00 0.00 H ATOM 787 HB3 PHE A 52 28.638 14.654 7.890 1.00 0.00 H ATOM 788 HD2 PHE A 52 29.646 12.628 7.037 1.00 0.00 H ATOM 789 HE2 PHE A 52 29.475 10.171 6.765 1.00 0.00 H ATOM 790 HZ PHE A 52 27.946 8.865 8.219 1.00 0.00 H ATOM 791 HE1 PHE A 52 26.583 10.029 9.938 1.00 0.00 H ATOM 792 HD1 PHE A 52 26.762 12.485 10.205 1.00 0.00 H ATOM 793 H PHE A 52 28.132 14.249 11.579 1.00 0.00 H ATOM 794 N LYS A 53 29.401 16.814 10.829 1.00 15.77 N ATOM 795 CA LYS A 53 29.617 18.258 10.814 1.00 18.74 C ATOM 796 C LYS A 53 28.885 18.851 9.614 1.00 21.94 C ATOM 797 O LYS A 53 29.418 19.708 8.907 1.00 23.48 O ATOM 798 CB LYS A 53 31.114 18.585 10.712 1.00 28.40 C ATOM 799 CG LYS A 53 31.977 17.994 11.817 1.00 32.19 C ATOM 800 CD LYS A 53 31.624 18.569 13.177 1.00 41.95 C ATOM 801 CE LYS A 53 32.547 18.030 14.261 1.00 47.08 C ATOM 802 NZ LYS A 53 32.245 18.621 15.594 1.00 47.49 N ATOM 803 HA LYS A 53 29.235 18.684 11.742 1.00 0.00 H ATOM 804 HB2 LYS A 53 31.479 18.206 9.758 1.00 0.00 H ATOM 805 HB3 LYS A 53 31.226 19.669 10.738 1.00 0.00 H ATOM 806 HG2 LYS A 53 31.829 16.914 11.841 1.00 0.00 H ATOM 807 HG3 LYS A 53 33.023 18.212 11.602 1.00 0.00 H ATOM 808 HD2 LYS A 53 31.716 19.654 13.139 1.00 0.00 H ATOM 809 HD3 LYS A 53 30.596 18.301 13.420 1.00 0.00 H ATOM 810 HE2 LYS A 53 33.578 18.266 13.996 1.00 0.00 H ATOM 811 HE3 LYS A 53 32.427 16.948 14.320 1.00 0.00 H ATOM 812 HZ1 LYS A 53 32.363 19.653 15.549 1.00 0.00 H ATOM 813 HZ2 LYS A 53 31.265 18.394 15.858 1.00 0.00 H ATOM 814 HZ3 LYS A 53 32.896 18.227 16.302 1.00 0.00 H ATOM 815 H LYS A 53 28.982 16.367 11.669 1.00 0.00 H ATOM 816 N LEU A 54 27.670 18.360 9.379 1.00 20.13 N ATOM 817 CA LEU A 54 26.815 18.826 8.290 1.00 17.75 C ATOM 818 C LEU A 54 25.440 19.048 8.926 1.00 18.36 C ATOM 819 O LEU A 54 25.100 18.389 9.903 1.00 15.30 O ATOM 820 CB LEU A 54 26.720 17.774 7.178 1.00 16.54 C ATOM 821 CG LEU A 54 27.990 17.465 6.369 1.00 14.81 C ATOM 822 CD1 LEU A 54 27.739 16.263 5.467 1.00 18.43 C ATOM 823 CD2 LEU A 54 28.401 18.691 5.542 1.00 16.76 C ATOM 824 HA LEU A 54 27.210 19.732 7.831 1.00 0.00 H ATOM 825 HB2 LEU A 54 26.394 16.842 7.640 1.00 0.00 H ATOM 826 HB3 LEU A 54 25.961 18.114 6.474 1.00 0.00 H ATOM 827 HG LEU A 54 28.806 17.227 7.051 1.00 0.00 H ATOM 828 HD21 LEU A 54 27.595 18.952 4.857 1.00 0.00 H ATOM 829 HD22 LEU A 54 28.597 19.529 6.210 1.00 0.00 H ATOM 830 HD23 LEU A 54 29.302 18.459 4.974 1.00 0.00 H ATOM 831 HD11 LEU A 54 27.479 15.399 6.079 1.00 0.00 H ATOM 832 HD12 LEU A 54 26.919 16.487 4.785 1.00 0.00 H ATOM 833 HD13 LEU A 54 28.641 16.046 4.894 1.00 0.00 H ATOM 834 H LEU A 54 27.312 17.608 10.001 1.00 0.00 H ATOM 835 N CYS A 55 24.659 19.966 8.373 1.00 16.94 N ATOM 836 CA CYS A 55 23.347 20.300 8.923 1.00 16.89 C ATOM 837 C CYS A 55 22.161 19.577 8.283 1.00 14.62 C ATOM 838 O CYS A 55 22.152 19.315 7.087 1.00 18.18 O ATOM 839 CB CYS A 55 23.144 21.817 8.828 1.00 16.24 C ATOM 840 SG CYS A 55 24.044 22.763 10.102 1.00 19.99 S ATOM 841 HA CYS A 55 23.359 19.953 9.956 1.00 0.00 H ATOM 842 HB2 CYS A 55 22.080 22.028 8.931 1.00 0.00 H ATOM 843 HB3 CYS A 55 23.486 22.149 7.848 1.00 0.00 H ATOM 844 H CYS A 55 24.990 20.463 7.522 1.00 0.00 H ATOM 845 N LEU A 56 21.158 19.249 9.095 1.00 17.57 N ATOM 846 CA LEU A 56 19.960 18.579 8.596 1.00 17.77 C ATOM 847 C LEU A 56 19.197 19.525 7.670 1.00 16.50 C ATOM 848 O LEU A 56 18.933 20.677 8.023 1.00 17.37 O ATOM 849 CB LEU A 56 19.055 18.154 9.759 1.00 16.75 C ATOM 850 CG LEU A 56 19.479 16.940 10.592 1.00 14.49 C ATOM 851 CD1 LEU A 56 18.648 16.880 11.864 1.00 15.11 C ATOM 852 CD2 LEU A 56 19.294 15.668 9.783 1.00 15.65 C ATOM 853 HA LEU A 56 20.260 17.687 8.046 1.00 0.00 H ATOM 854 HB2 LEU A 56 18.979 19.003 10.438 1.00 0.00 H ATOM 855 HB3 LEU A 56 18.072 17.934 9.342 1.00 0.00 H ATOM 856 HG LEU A 56 20.532 17.034 10.859 1.00 0.00 H ATOM 857 HD21 LEU A 56 18.245 15.565 9.505 1.00 0.00 H ATOM 858 HD22 LEU A 56 19.907 15.719 8.883 1.00 0.00 H ATOM 859 HD23 LEU A 56 19.598 14.810 10.383 1.00 0.00 H ATOM 860 HD11 LEU A 56 18.805 17.790 12.443 1.00 0.00 H ATOM 861 HD12 LEU A 56 17.593 16.791 11.604 1.00 0.00 H ATOM 862 HD13 LEU A 56 18.952 16.016 12.454 1.00 0.00 H ATOM 863 H LEU A 56 21.229 19.475 10.108 1.00 0.00 H ATOM 864 N GLY A 57 18.844 19.035 6.485 1.00 15.66 N ATOM 865 CA GLY A 57 18.127 19.863 5.535 1.00 16.08 C ATOM 866 C GLY A 57 17.401 19.067 4.472 1.00 18.39 C ATOM 867 O GLY A 57 17.448 17.839 4.468 1.00 15.21 O ATOM 868 HA3 GLY A 57 18.841 20.524 5.044 1.00 0.00 H ATOM 869 HA2 GLY A 57 17.396 20.460 6.080 1.00 0.00 H ATOM 870 H GLY A 57 19.083 18.053 6.239 1.00 0.00 H ATOM 871 N VAL A 58 16.731 19.776 3.568 1.00 19.12 N ATOM 872 CA VAL A 58 15.972 19.153 2.490 1.00 16.29 C ATOM 873 C VAL A 58 16.263 19.844 1.158 1.00 22.55 C ATOM 874 O VAL A 58 16.714 20.987 1.124 1.00 21.76 O ATOM 875 CB VAL A 58 14.449 19.226 2.764 1.00 16.03 C ATOM 876 CG1 VAL A 58 14.111 18.451 4.038 1.00 16.55 C ATOM 877 CG2 VAL A 58 14.012 20.677 2.910 1.00 16.10 C ATOM 878 HA VAL A 58 16.279 18.108 2.440 1.00 0.00 H ATOM 879 HB VAL A 58 13.918 18.780 1.923 1.00 0.00 H ATOM 880 HG11 VAL A 58 14.405 17.409 3.916 1.00 0.00 H ATOM 881 HG12 VAL A 58 14.649 18.886 4.880 1.00 0.00 H ATOM 882 HG13 VAL A 58 13.038 18.508 4.223 1.00 0.00 H ATOM 883 HG21 VAL A 58 14.548 21.135 3.742 1.00 0.00 H ATOM 884 HG22 VAL A 58 14.237 21.217 1.990 1.00 0.00 H ATOM 885 HG23 VAL A 58 12.940 20.715 3.102 1.00 0.00 H ATOM 886 H VAL A 58 16.749 20.814 3.632 1.00 0.00 H ATOM 887 N PRO A 59 16.010 19.149 0.040 1.00 24.74 N ATOM 888 CA PRO A 59 16.252 19.721 -1.286 1.00 26.74 C ATOM 889 C PRO A 59 15.218 20.788 -1.639 1.00 29.36 C ATOM 890 O PRO A 59 15.480 21.677 -2.449 1.00 27.46 O ATOM 891 CB PRO A 59 16.169 18.501 -2.196 1.00 23.81 C ATOM 892 CG PRO A 59 15.128 17.672 -1.522 1.00 28.62 C ATOM 893 CD PRO A 59 15.531 17.758 -0.068 1.00 24.09 C ATOM 894 HA PRO A 59 17.205 20.244 -1.368 1.00 0.00 H ATOM 895 HD3 PRO A 59 14.680 17.580 0.590 1.00 0.00 H ATOM 896 HD2 PRO A 59 16.324 17.047 0.166 1.00 0.00 H ATOM 897 HG3 PRO A 59 15.153 16.642 -1.878 1.00 0.00 H ATOM 898 HG2 PRO A 59 14.132 18.085 -1.680 1.00 0.00 H ATOM 899 HB2 PRO A 59 15.861 18.780 -3.204 1.00 0.00 H ATOM 900 HB3 PRO A 59 17.123 17.976 -2.242 1.00 0.00 H ATOM 901 N SER A 60 14.043 20.684 -1.022 1.00 25.52 N ATOM 902 CA SER A 60 12.952 21.625 -1.245 1.00 26.25 C ATOM 903 C SER A 60 11.874 21.410 -0.188 1.00 26.67 C ATOM 904 O SER A 60 11.797 20.342 0.423 1.00 22.17 O ATOM 905 CB SER A 60 12.352 21.426 -2.642 1.00 30.42 C ATOM 906 OG SER A 60 11.818 20.121 -2.793 1.00 30.39 O ATOM 907 HA SER A 60 13.340 22.641 -1.173 1.00 0.00 H ATOM 908 HB2 SER A 60 13.131 21.580 -3.388 1.00 0.00 H ATOM 909 HB3 SER A 60 11.556 22.155 -2.794 1.00 0.00 H ATOM 910 HG SER A 60 11.106 19.977 -2.121 1.00 0.00 H ATOM 911 H SER A 60 13.897 19.900 -0.354 1.00 0.00 H ATOM 912 N LYS A 61 11.053 22.430 0.035 1.00 24.81 N ATOM 913 CA LYS A 61 9.980 22.338 1.017 1.00 26.95 C ATOM 914 C LYS A 61 8.785 21.670 0.354 1.00 27.79 C ATOM 915 O LYS A 61 7.781 22.317 0.048 1.00 27.51 O ATOM 916 CB LYS A 61 9.600 23.732 1.516 1.00 28.03 C ATOM 917 CG LYS A 61 10.768 24.498 2.124 1.00 30.22 C ATOM 918 CD LYS A 61 10.361 25.914 2.512 1.00 34.20 C ATOM 919 CE LYS A 61 11.551 26.705 3.027 1.00 37.49 C ATOM 920 NZ LYS A 61 11.178 28.104 3.377 1.00 42.23 N ATOM 921 HA LYS A 61 10.307 21.751 1.875 1.00 0.00 H ATOM 922 HB2 LYS A 61 9.211 24.306 0.675 1.00 0.00 H ATOM 923 HB3 LYS A 61 8.823 23.628 2.274 1.00 0.00 H ATOM 924 HG2 LYS A 61 11.113 23.971 3.014 1.00 0.00 H ATOM 925 HG3 LYS A 61 11.577 24.548 1.396 1.00 0.00 H ATOM 926 HD2 LYS A 61 9.950 26.418 1.638 1.00 0.00 H ATOM 927 HD3 LYS A 61 9.602 25.865 3.292 1.00 0.00 H ATOM 928 HE2 LYS A 61 12.320 26.728 2.255 1.00 0.00 H ATOM 929 HE3 LYS A 61 11.944 26.212 3.916 1.00 0.00 H ATOM 930 HZ1 LYS A 61 10.808 28.584 2.532 1.00 0.00 H ATOM 931 HZ2 LYS A 61 10.449 28.092 4.118 1.00 0.00 H ATOM 932 HZ3 LYS A 61 12.018 28.609 3.724 1.00 0.00 H ATOM 933 H LYS A 61 11.178 23.312 -0.502 1.00 0.00 H ATOM 934 N THR A 62 8.907 20.364 0.138 1.00 25.72 N ATOM 935 CA THR A 62 7.862 19.587 -0.511 1.00 27.52 C ATOM 936 C THR A 62 7.532 18.335 0.292 1.00 24.35 C ATOM 937 O THR A 62 8.388 17.786 0.979 1.00 23.51 O ATOM 938 CB THR A 62 8.310 19.170 -1.930 1.00 29.53 C ATOM 939 OG1 THR A 62 8.609 20.345 -2.696 1.00 37.12 O ATOM 940 CG2 THR A 62 7.220 18.379 -2.635 1.00 34.73 C ATOM 941 HA THR A 62 6.972 20.214 -0.573 1.00 0.00 H ATOM 942 HB THR A 62 9.195 18.540 -1.842 1.00 0.00 H ATOM 943 HG1 THR A 62 8.896 20.080 -3.606 1.00 0.00 H ATOM 944 HG23 THR A 62 6.990 17.485 -2.056 1.00 0.00 H ATOM 945 HG21 THR A 62 6.326 18.996 -2.725 1.00 0.00 H ATOM 946 HG22 THR A 62 7.566 18.091 -3.628 1.00 0.00 H ATOM 947 H THR A 62 9.777 19.882 0.443 1.00 0.00 H ATOM 948 N ASP A 63 6.281 17.895 0.206 1.00 20.79 N ATOM 949 CA ASP A 63 5.832 16.703 0.909 1.00 21.87 C ATOM 950 C ASP A 63 6.640 15.501 0.401 1.00 24.87 C ATOM 951 O ASP A 63 6.837 15.334 -0.804 1.00 20.83 O ATOM 952 CB ASP A 63 4.329 16.501 0.663 1.00 25.99 C ATOM 953 CG ASP A 63 3.694 15.542 1.653 1.00 30.88 C ATOM 954 OD1 ASP A 63 4.296 15.293 2.718 1.00 24.74 O ATOM 955 OD2 ASP A 63 2.582 15.046 1.377 1.00 30.98 O ATOM 956 HA ASP A 63 5.990 16.808 1.982 1.00 0.00 H ATOM 957 HB2 ASP A 63 3.830 17.467 0.744 1.00 0.00 H ATOM 958 HB3 ASP A 63 4.191 16.105 -0.343 1.00 0.00 H ATOM 959 H ASP A 63 5.602 18.419 -0.382 1.00 0.00 H ATOM 960 N TRP A 64 7.128 14.692 1.338 1.00 20.29 N ATOM 961 CA TRP A 64 7.935 13.502 1.058 1.00 17.51 C ATOM 962 C TRP A 64 9.362 13.798 0.579 1.00 21.95 C ATOM 963 O TRP A 64 10.023 12.947 -0.014 1.00 18.97 O ATOM 964 CB TRP A 64 7.230 12.575 0.060 1.00 19.52 C ATOM 965 CG TRP A 64 7.529 11.117 0.314 1.00 21.04 C ATOM 966 CD1 TRP A 64 8.029 10.211 -0.579 1.00 23.22 C ATOM 967 CD2 TRP A 64 7.326 10.399 1.542 1.00 19.61 C ATOM 968 NE1 TRP A 64 8.148 8.974 0.016 1.00 22.09 N ATOM 969 CE2 TRP A 64 7.724 9.061 1.315 1.00 21.96 C ATOM 970 CE3 TRP A 64 6.849 10.757 2.812 1.00 24.30 C ATOM 971 CZ2 TRP A 64 7.657 8.078 2.314 1.00 19.77 C ATOM 972 CZ3 TRP A 64 6.784 9.779 3.805 1.00 21.16 C ATOM 973 CH2 TRP A 64 7.187 8.454 3.546 1.00 19.54 C ATOM 974 HA TRP A 64 8.035 13.002 2.021 1.00 0.00 H ATOM 975 HB2 TRP A 64 6.154 12.730 0.138 1.00 0.00 H ATOM 976 HB3 TRP A 64 7.560 12.829 -0.947 1.00 0.00 H ATOM 977 HE1 TRP A 64 8.503 8.113 -0.447 1.00 0.00 H ATOM 978 HD1 TRP A 64 8.295 10.435 -1.612 1.00 0.00 H ATOM 979 HZ2 TRP A 64 7.968 7.052 2.118 1.00 0.00 H ATOM 980 HH2 TRP A 64 7.124 7.712 4.342 1.00 0.00 H ATOM 981 HZ3 TRP A 64 6.416 10.044 4.796 1.00 0.00 H ATOM 982 HE3 TRP A 64 6.535 11.780 3.019 1.00 0.00 H ATOM 983 H TRP A 64 6.924 14.919 2.332 1.00 0.00 H ATOM 984 N ALA A 65 9.841 15.013 0.827 1.00 20.27 N ATOM 985 CA ALA A 65 11.212 15.344 0.466 1.00 21.27 C ATOM 986 C ALA A 65 12.063 14.646 1.530 1.00 19.28 C ATOM 987 O ALA A 65 11.689 14.626 2.706 1.00 14.56 O ATOM 988 CB ALA A 65 11.430 16.844 0.532 1.00 20.64 C ATOM 989 HA ALA A 65 11.461 15.030 -0.548 1.00 0.00 H ATOM 990 HB1 ALA A 65 10.751 17.339 -0.162 1.00 0.00 H ATOM 991 HB2 ALA A 65 11.235 17.194 1.546 1.00 0.00 H ATOM 992 HB3 ALA A 65 12.460 17.072 0.259 1.00 0.00 H ATOM 993 H ALA A 65 9.236 15.728 1.279 1.00 0.00 H ATOM 994 N SER A 66 13.188 14.067 1.130 1.00 17.50 N ATOM 995 CA SER A 66 14.054 13.387 2.089 1.00 18.64 C ATOM 996 C SER A 66 14.868 14.383 2.904 1.00 16.19 C ATOM 997 O SER A 66 15.354 15.389 2.384 1.00 15.99 O ATOM 998 CB SER A 66 15.009 12.417 1.379 1.00 20.36 C ATOM 999 OG SER A 66 14.316 11.290 0.875 1.00 23.17 O ATOM 1000 HA SER A 66 13.405 12.825 2.761 1.00 0.00 H ATOM 1001 HB2 SER A 66 15.766 12.081 2.088 1.00 0.00 H ATOM 1002 HB3 SER A 66 15.493 12.936 0.552 1.00 0.00 H ATOM 1003 HG SER A 66 14.957 10.685 0.424 1.00 0.00 H ATOM 1004 H SER A 66 13.455 14.098 0.125 1.00 0.00 H ATOM 1005 N VAL A 67 15.001 14.097 4.192 1.00 15.77 N ATOM 1006 CA VAL A 67 15.772 14.945 5.092 1.00 13.35 C ATOM 1007 C VAL A 67 17.157 14.320 5.225 1.00 16.42 C ATOM 1008 O VAL A 67 17.288 13.220 5.769 1.00 15.22 O ATOM 1009 CB VAL A 67 15.140 14.991 6.506 1.00 16.48 C ATOM 1010 CG1 VAL A 67 15.982 15.875 7.420 1.00 16.99 C ATOM 1011 CG2 VAL A 67 13.711 15.502 6.429 1.00 12.83 C ATOM 1012 HA VAL A 67 15.802 15.958 4.690 1.00 0.00 H ATOM 1013 HB VAL A 67 15.118 13.983 6.920 1.00 0.00 H ATOM 1014 HG11 VAL A 67 16.991 15.468 7.489 1.00 0.00 H ATOM 1015 HG12 VAL A 67 16.023 16.884 7.010 1.00 0.00 H ATOM 1016 HG13 VAL A 67 15.532 15.903 8.412 1.00 0.00 H ATOM 1017 HG21 VAL A 67 13.708 16.506 6.004 1.00 0.00 H ATOM 1018 HG22 VAL A 67 13.122 14.837 5.797 1.00 0.00 H ATOM 1019 HG23 VAL A 67 13.281 15.528 7.430 1.00 0.00 H ATOM 1020 H VAL A 67 14.542 13.244 4.570 1.00 0.00 H ATOM 1021 N THR A 68 18.186 14.994 4.716 1.00 15.96 N ATOM 1022 CA THR A 68 19.543 14.463 4.837 1.00 18.15 C ATOM 1023 C THR A 68 20.504 15.534 5.332 1.00 18.88 C ATOM 1024 O THR A 68 20.098 16.428 6.078 1.00 21.30 O ATOM 1025 CB THR A 68 20.058 13.834 3.504 1.00 18.70 C ATOM 1026 OG1 THR A 68 20.058 14.815 2.460 1.00 18.99 O ATOM 1027 CG2 THR A 68 19.171 12.662 3.104 1.00 22.09 C ATOM 1028 HA THR A 68 19.503 13.662 5.575 1.00 0.00 H ATOM 1029 HB THR A 68 21.077 13.479 3.658 1.00 0.00 H ATOM 1030 HG1 THR A 68 19.137 15.152 2.325 1.00 0.00 H ATOM 1031 HG23 THR A 68 19.173 11.918 3.900 1.00 0.00 H ATOM 1032 HG21 THR A 68 18.154 13.017 2.940 1.00 0.00 H ATOM 1033 HG22 THR A 68 19.553 12.215 2.186 1.00 0.00 H ATOM 1034 H THR A 68 18.024 15.900 4.231 1.00 0.00 H ATOM 1035 N LEU A 69 21.770 15.470 4.926 1.00 16.62 N ATOM 1036 CA LEU A 69 22.740 16.439 5.430 1.00 16.31 C ATOM 1037 C LEU A 69 23.376 17.347 4.388 1.00 20.13 C ATOM 1038 O LEU A 69 23.786 16.896 3.321 1.00 19.94 O ATOM 1039 CB LEU A 69 23.833 15.697 6.199 1.00 16.82 C ATOM 1040 CG LEU A 69 23.325 14.857 7.375 1.00 18.41 C ATOM 1041 CD1 LEU A 69 24.441 13.951 7.882 1.00 22.67 C ATOM 1042 CD2 LEU A 69 22.827 15.779 8.489 1.00 18.74 C ATOM 1043 HA LEU A 69 22.169 17.111 6.071 1.00 0.00 H ATOM 1044 HB2 LEU A 69 24.348 15.034 5.504 1.00 0.00 H ATOM 1045 HB3 LEU A 69 24.537 16.434 6.586 1.00 0.00 H ATOM 1046 HG LEU A 69 22.496 14.231 7.045 1.00 0.00 H ATOM 1047 HD21 LEU A 69 23.646 16.415 8.825 1.00 0.00 H ATOM 1048 HD22 LEU A 69 22.015 16.399 8.110 1.00 0.00 H ATOM 1049 HD23 LEU A 69 22.467 15.177 9.323 1.00 0.00 H ATOM 1050 HD11 LEU A 69 24.763 13.289 7.078 1.00 0.00 H ATOM 1051 HD12 LEU A 69 25.282 14.562 8.211 1.00 0.00 H ATOM 1052 HD13 LEU A 69 24.073 13.356 8.718 1.00 0.00 H ATOM 1053 H LEU A 69 22.067 14.734 4.254 1.00 0.00 H ATOM 1054 N TYR A 70 23.453 18.633 4.719 1.00 19.49 N ATOM 1055 CA TYR A 70 24.034 19.632 3.830 1.00 19.57 C ATOM 1056 C TYR A 70 25.030 20.510 4.573 1.00 21.62 C ATOM 1057 O TYR A 70 24.952 20.654 5.796 1.00 18.20 O ATOM 1058 CB TYR A 70 22.937 20.526 3.252 1.00 21.97 C ATOM 1059 CG TYR A 70 21.897 19.789 2.448 1.00 22.19 C ATOM 1060 CD1 TYR A 70 20.916 19.019 3.075 1.00 20.97 C ATOM 1061 CD2 TYR A 70 21.900 19.848 1.052 1.00 22.83 C ATOM 1062 CE1 TYR A 70 19.962 18.324 2.329 1.00 22.82 C ATOM 1063 CE2 TYR A 70 20.960 19.161 0.304 1.00 25.19 C ATOM 1064 CZ TYR A 70 19.993 18.399 0.945 1.00 27.54 C ATOM 1065 OH TYR A 70 19.068 17.706 0.198 1.00 24.64 O ATOM 1066 HA TYR A 70 24.548 19.101 3.028 1.00 0.00 H ATOM 1067 HB3 TYR A 70 23.406 21.268 2.606 1.00 0.00 H ATOM 1068 HB2 TYR A 70 22.436 21.030 4.078 1.00 0.00 H ATOM 1069 HD2 TYR A 70 22.656 20.446 0.543 1.00 0.00 H ATOM 1070 HE2 TYR A 70 20.979 19.218 -0.784 1.00 0.00 H ATOM 1071 HE1 TYR A 70 19.200 17.728 2.830 1.00 0.00 H ATOM 1072 HD1 TYR A 70 20.894 18.959 4.163 1.00 0.00 H ATOM 1073 HH TYR A 70 18.455 17.218 0.804 1.00 0.00 H ATOM 1074 H TYR A 70 23.086 18.936 5.644 1.00 0.00 H ATOM 1075 N ALA A 71 25.968 21.102 3.838 1.00 20.64 N ATOM 1076 CA ALA A 71 26.942 21.995 4.455 1.00 25.29 C ATOM 1077 C ALA A 71 26.120 23.059 5.169 1.00 22.57 C ATOM 1078 O ALA A 71 25.190 23.619 4.593 1.00 24.02 O ATOM 1079 CB ALA A 71 27.826 22.629 3.390 1.00 32.65 C ATOM 1080 HA ALA A 71 27.602 21.466 5.143 1.00 0.00 H ATOM 1081 HB1 ALA A 71 28.354 21.847 2.845 1.00 0.00 H ATOM 1082 HB2 ALA A 71 27.207 23.200 2.698 1.00 0.00 H ATOM 1083 HB3 ALA A 71 28.548 23.293 3.866 1.00 0.00 H ATOM 1084 H ALA A 71 26.007 20.926 2.814 1.00 0.00 H ATOM 1085 N CYS A 72 26.437 23.331 6.428 1.00 24.26 N ATOM 1086 CA CYS A 72 25.668 24.315 7.172 1.00 23.24 C ATOM 1087 C CYS A 72 25.776 25.691 6.523 1.00 28.06 C ATOM 1088 O CYS A 72 26.869 26.189 6.266 1.00 24.18 O ATOM 1089 CB CYS A 72 26.147 24.367 8.618 1.00 27.52 C ATOM 1090 SG CYS A 72 25.985 22.781 9.502 1.00 24.37 S ATOM 1091 HA CYS A 72 24.619 24.017 7.159 1.00 0.00 H ATOM 1092 HB2 CYS A 72 25.561 25.118 9.148 1.00 0.00 H ATOM 1093 HB3 CYS A 72 27.197 24.658 8.622 1.00 0.00 H ATOM 1094 H CYS A 72 27.234 22.841 6.882 1.00 0.00 H ATOM 1095 N ASP A 73 24.623 26.289 6.251 1.00 25.61 N ATOM 1096 CA ASP A 73 24.544 27.600 5.621 1.00 28.50 C ATOM 1097 C ASP A 73 23.429 28.383 6.303 1.00 28.10 C ATOM 1098 O ASP A 73 22.254 28.056 6.159 1.00 27.23 O ATOM 1099 CB ASP A 73 24.247 27.432 4.128 1.00 31.04 C ATOM 1100 CG ASP A 73 24.192 28.756 3.386 1.00 37.92 C ATOM 1101 OD1 ASP A 73 23.985 28.731 2.155 1.00 40.12 O ATOM 1102 OD2 ASP A 73 24.353 29.817 4.026 1.00 36.75 O ATOM 1103 HA ASP A 73 25.487 28.137 5.724 1.00 0.00 H ATOM 1104 HB2 ASP A 73 25.029 26.816 3.684 1.00 0.00 H ATOM 1105 HB3 ASP A 73 23.285 26.931 4.018 1.00 0.00 H ATOM 1106 H ASP A 73 23.738 25.801 6.498 1.00 0.00 H ATOM 1107 N SER A 74 23.808 29.418 7.047 1.00 30.07 N ATOM 1108 CA SER A 74 22.845 30.238 7.776 1.00 33.43 C ATOM 1109 C SER A 74 21.866 30.980 6.875 1.00 32.25 C ATOM 1110 O SER A 74 20.840 31.473 7.343 1.00 32.70 O ATOM 1111 CB SER A 74 23.579 31.250 8.660 1.00 37.18 C ATOM 1112 OG SER A 74 24.311 32.168 7.871 1.00 39.11 O ATOM 1113 HA SER A 74 22.259 29.546 8.382 1.00 0.00 H ATOM 1114 HB2 SER A 74 24.265 30.718 9.319 1.00 0.00 H ATOM 1115 HB3 SER A 74 22.851 31.795 9.260 1.00 0.00 H ATOM 1116 HG SER A 74 24.777 32.811 8.462 1.00 0.00 H ATOM 1117 H SER A 74 24.820 29.650 7.111 1.00 0.00 H ATOM 1118 N LYS A 75 22.176 31.054 5.585 1.00 35.23 N ATOM 1119 CA LYS A 75 21.313 31.755 4.640 1.00 38.20 C ATOM 1120 C LYS A 75 20.298 30.852 3.945 1.00 37.86 C ATOM 1121 O LYS A 75 19.367 31.339 3.303 1.00 38.26 O ATOM 1122 CB LYS A 75 22.157 32.470 3.580 1.00 43.49 C ATOM 1123 CG LYS A 75 23.094 33.544 4.120 1.00 45.14 C ATOM 1124 CD LYS A 75 24.292 32.949 4.842 1.00 48.10 C ATOM 1125 CE LYS A 75 25.250 34.037 5.301 1.00 49.92 C ATOM 1126 NZ LYS A 75 26.471 33.474 5.941 1.00 51.36 N ATOM 1127 HA LYS A 75 20.747 32.473 5.233 1.00 0.00 H ATOM 1128 HB2 LYS A 75 22.760 31.722 3.066 1.00 0.00 H ATOM 1129 HB3 LYS A 75 21.479 32.940 2.868 1.00 0.00 H ATOM 1130 HG2 LYS A 75 23.451 34.150 3.287 1.00 0.00 H ATOM 1131 HG3 LYS A 75 22.542 34.175 4.816 1.00 0.00 H ATOM 1132 HD2 LYS A 75 23.943 32.391 5.711 1.00 0.00 H ATOM 1133 HD3 LYS A 75 24.817 32.274 4.166 1.00 0.00 H ATOM 1134 HE2 LYS A 75 24.738 34.676 6.021 1.00 0.00 H ATOM 1135 HE3 LYS A 75 25.548 34.631 4.437 1.00 0.00 H ATOM 1136 HZ1 LYS A 75 26.197 32.911 6.771 1.00 0.00 H ATOM 1137 HZ2 LYS A 75 26.970 32.868 5.259 1.00 0.00 H ATOM 1138 HZ3 LYS A 75 27.095 34.251 6.238 1.00 0.00 H ATOM 1139 H LYS A 75 23.049 30.604 5.243 1.00 0.00 H ATOM 1140 N SER A 76 20.471 29.540 4.069 1.00 36.03 N ATOM 1141 CA SER A 76 19.556 28.595 3.433 1.00 31.57 C ATOM 1142 C SER A 76 18.324 28.279 4.272 1.00 35.62 C ATOM 1143 O SER A 76 18.434 27.836 5.414 1.00 32.61 O ATOM 1144 CB SER A 76 20.281 27.291 3.109 1.00 28.00 C ATOM 1145 OG SER A 76 19.358 26.326 2.638 1.00 32.22 O ATOM 1146 HA SER A 76 19.211 29.084 2.522 1.00 0.00 H ATOM 1147 HB2 SER A 76 20.768 26.916 4.009 1.00 0.00 H ATOM 1148 HB3 SER A 76 21.032 27.477 2.341 1.00 0.00 H ATOM 1149 HG SER A 76 19.838 25.485 2.431 1.00 0.00 H ATOM 1150 H SER A 76 21.271 29.180 4.628 1.00 0.00 H ATOM 1151 N GLU A 77 17.147 28.493 3.693 1.00 35.16 N ATOM 1152 CA GLU A 77 15.898 28.224 4.392 1.00 38.40 C ATOM 1153 C GLU A 77 15.547 26.740 4.351 1.00 34.09 C ATOM 1154 O GLU A 77 14.598 26.299 5.001 1.00 38.36 O ATOM 1155 CB GLU A 77 14.758 29.036 3.774 1.00 45.01 C ATOM 1156 CG GLU A 77 14.886 30.540 3.968 1.00 58.47 C ATOM 1157 CD GLU A 77 13.694 31.304 3.412 1.00 65.97 C ATOM 1158 OE1 GLU A 77 12.559 31.064 3.877 1.00 70.62 O ATOM 1159 OE2 GLU A 77 13.893 32.146 2.511 1.00 70.65 O ATOM 1160 HA GLU A 77 16.032 28.518 5.433 1.00 0.00 H ATOM 1161 HB2 GLU A 77 14.732 28.830 2.704 1.00 0.00 H ATOM 1162 HB3 GLU A 77 13.822 28.711 4.228 1.00 0.00 H ATOM 1163 HG2 GLU A 77 14.969 30.749 5.035 1.00 0.00 H ATOM 1164 HG3 GLU A 77 15.788 30.882 3.461 1.00 0.00 H ATOM 1165 H GLU A 77 17.117 28.860 2.720 1.00 0.00 H ATOM 1166 N TYR A 78 16.324 25.968 3.598 1.00 31.01 N ATOM 1167 CA TYR A 78 16.070 24.540 3.472 1.00 27.91 C ATOM 1168 C TYR A 78 16.686 23.714 4.592 1.00 23.63 C ATOM 1169 O TYR A 78 16.605 22.489 4.581 1.00 22.25 O ATOM 1170 CB TYR A 78 16.561 24.039 2.116 1.00 30.26 C ATOM 1171 CG TYR A 78 15.937 24.786 0.962 1.00 34.34 C ATOM 1172 CD1 TYR A 78 16.530 25.941 0.453 1.00 38.85 C ATOM 1173 CD2 TYR A 78 14.727 24.367 0.409 1.00 34.85 C ATOM 1174 CE1 TYR A 78 15.933 26.664 -0.578 1.00 38.17 C ATOM 1175 CE2 TYR A 78 14.120 25.083 -0.622 1.00 38.97 C ATOM 1176 CZ TYR A 78 14.729 26.230 -1.108 1.00 40.94 C ATOM 1177 OH TYR A 78 14.129 26.950 -2.116 1.00 44.29 O ATOM 1178 HA TYR A 78 14.991 24.408 3.551 1.00 0.00 H ATOM 1179 HB3 TYR A 78 16.313 22.982 2.023 1.00 0.00 H ATOM 1180 HB2 TYR A 78 17.643 24.163 2.068 1.00 0.00 H ATOM 1181 HD2 TYR A 78 14.248 23.465 0.789 1.00 0.00 H ATOM 1182 HE2 TYR A 78 13.174 24.744 -1.043 1.00 0.00 H ATOM 1183 HE1 TYR A 78 16.410 27.565 -0.965 1.00 0.00 H ATOM 1184 HD1 TYR A 78 17.477 26.284 0.869 1.00 0.00 H ATOM 1185 HH TYR A 78 14.026 26.374 -2.915 1.00 0.00 H ATOM 1186 H TYR A 78 17.127 26.391 3.090 1.00 0.00 H ATOM 1187 N GLN A 79 17.307 24.386 5.555 1.00 23.26 N ATOM 1188 CA GLN A 79 17.895 23.690 6.691 1.00 22.09 C ATOM 1189 C GLN A 79 17.544 24.397 7.994 1.00 20.64 C ATOM 1190 O GLN A 79 18.250 24.278 8.991 1.00 21.26 O ATOM 1191 CB GLN A 79 19.416 23.556 6.526 1.00 23.66 C ATOM 1192 CG GLN A 79 20.190 24.848 6.337 1.00 25.48 C ATOM 1193 CD GLN A 79 21.670 24.592 6.118 1.00 22.88 C ATOM 1194 OE1 GLN A 79 22.089 24.140 5.051 1.00 27.50 O ATOM 1195 NE2 GLN A 79 22.465 24.862 7.137 1.00 19.33 N ATOM 1196 HA GLN A 79 17.476 22.684 6.729 1.00 0.00 H ATOM 1197 HB2 GLN A 79 19.805 23.063 7.417 1.00 0.00 H ATOM 1198 HB3 GLN A 79 19.601 22.927 5.655 1.00 0.00 H ATOM 1199 HG2 GLN A 79 19.791 25.375 5.470 1.00 0.00 H ATOM 1200 HG3 GLN A 79 20.066 25.467 7.226 1.00 0.00 H ATOM 1201 HE22 GLN A 79 22.068 25.243 8.020 1.00 0.00 H ATOM 1202 HE21 GLN A 79 23.488 24.694 7.057 1.00 0.00 H ATOM 1203 H GLN A 79 17.374 25.422 5.497 1.00 0.00 H ATOM 1204 N LYS A 80 16.435 25.132 7.973 1.00 20.01 N ATOM 1205 CA LYS A 80 15.955 25.852 9.152 1.00 21.85 C ATOM 1206 C LYS A 80 14.774 25.091 9.731 1.00 23.40 C ATOM 1207 O LYS A 80 13.829 24.749 9.012 1.00 23.62 O ATOM 1208 CB LYS A 80 15.525 27.276 8.784 1.00 24.54 C ATOM 1209 CG LYS A 80 16.683 28.199 8.444 1.00 26.92 C ATOM 1210 CD LYS A 80 16.198 29.604 8.133 1.00 33.99 C ATOM 1211 CE LYS A 80 17.361 30.524 7.805 1.00 35.91 C ATOM 1212 NZ LYS A 80 16.883 31.893 7.457 1.00 48.73 N ATOM 1213 HA LYS A 80 16.759 25.922 9.885 1.00 0.00 H ATOM 1214 HB2 LYS A 80 14.863 27.223 7.920 1.00 0.00 H ATOM 1215 HB3 LYS A 80 14.984 27.701 9.629 1.00 0.00 H ATOM 1216 HG2 LYS A 80 17.366 28.239 9.292 1.00 0.00 H ATOM 1217 HG3 LYS A 80 17.208 27.804 7.574 1.00 0.00 H ATOM 1218 HD2 LYS A 80 15.522 29.567 7.279 1.00 0.00 H ATOM 1219 HD3 LYS A 80 15.666 29.997 8.999 1.00 0.00 H ATOM 1220 HE2 LYS A 80 17.912 30.113 6.959 1.00 0.00 H ATOM 1221 HE3 LYS A 80 18.021 30.587 8.671 1.00 0.00 H ATOM 1222 HZ1 LYS A 80 16.257 31.840 6.628 1.00 0.00 H ATOM 1223 HZ2 LYS A 80 16.360 32.292 8.263 1.00 0.00 H ATOM 1224 HZ3 LYS A 80 17.700 32.499 7.238 1.00 0.00 H ATOM 1225 H LYS A 80 15.891 25.197 7.089 1.00 0.00 H ATOM 1226 N TRP A 81 14.827 24.835 11.034 1.00 20.45 N ATOM 1227 CA TRP A 81 13.777 24.084 11.706 1.00 17.66 C ATOM 1228 C TRP A 81 13.142 24.845 12.862 1.00 19.60 C ATOM 1229 O TRP A 81 13.712 25.809 13.372 1.00 21.05 O ATOM 1230 CB TRP A 81 14.346 22.766 12.230 1.00 18.92 C ATOM 1231 CG TRP A 81 15.020 21.957 11.178 1.00 15.97 C ATOM 1232 CD1 TRP A 81 16.315 22.061 10.764 1.00 17.51 C ATOM 1233 CD2 TRP A 81 14.420 20.944 10.375 1.00 15.39 C ATOM 1234 NE1 TRP A 81 16.561 21.171 9.749 1.00 16.64 N ATOM 1235 CE2 TRP A 81 15.412 20.471 9.488 1.00 18.46 C ATOM 1236 CE3 TRP A 81 13.134 20.386 10.314 1.00 16.04 C ATOM 1237 CZ2 TRP A 81 15.160 19.465 8.551 1.00 19.46 C ATOM 1238 CZ3 TRP A 81 12.885 19.386 9.382 1.00 17.30 C ATOM 1239 CH2 TRP A 81 13.894 18.937 8.514 1.00 16.41 C ATOM 1240 HA TRP A 81 12.996 23.907 10.967 1.00 0.00 H ATOM 1241 HB2 TRP A 81 15.071 22.989 13.013 1.00 0.00 H ATOM 1242 HB3 TRP A 81 13.529 22.178 12.649 1.00 0.00 H ATOM 1243 HE1 TRP A 81 17.470 21.048 9.259 1.00 0.00 H ATOM 1244 HD1 TRP A 81 17.049 22.752 11.179 1.00 0.00 H ATOM 1245 HZ2 TRP A 81 15.940 19.113 7.875 1.00 0.00 H ATOM 1246 HH2 TRP A 81 13.666 18.151 7.794 1.00 0.00 H ATOM 1247 HZ3 TRP A 81 11.891 18.943 9.323 1.00 0.00 H ATOM 1248 HE3 TRP A 81 12.346 20.730 10.984 1.00 0.00 H ATOM 1249 H TRP A 81 15.638 25.179 11.587 1.00 0.00 H ATOM 1250 N GLU A 82 11.960 24.398 13.273 1.00 19.78 N ATOM 1251 CA GLU A 82 11.249 25.029 14.384 1.00 22.66 C ATOM 1252 C GLU A 82 10.379 24.030 15.131 1.00 20.72 C ATOM 1253 O GLU A 82 9.934 23.023 14.568 1.00 18.63 O ATOM 1254 CB GLU A 82 10.371 26.181 13.881 1.00 28.04 C ATOM 1255 CG GLU A 82 9.425 25.801 12.761 1.00 40.45 C ATOM 1256 CD GLU A 82 8.440 26.908 12.426 1.00 43.52 C ATOM 1257 OE1 GLU A 82 8.829 28.092 12.496 1.00 43.97 O ATOM 1258 OE2 GLU A 82 7.281 26.591 12.079 1.00 43.17 O ATOM 1259 HA GLU A 82 12.004 25.416 15.068 1.00 0.00 H ATOM 1260 HB2 GLU A 82 9.778 26.550 14.718 1.00 0.00 H ATOM 1261 HB3 GLU A 82 11.024 26.976 13.522 1.00 0.00 H ATOM 1262 HG2 GLU A 82 10.011 25.574 11.871 1.00 0.00 H ATOM 1263 HG3 GLU A 82 8.866 24.915 13.062 1.00 0.00 H ATOM 1264 H GLU A 82 11.531 23.581 12.794 1.00 0.00 H ATOM 1265 N CYS A 83 10.148 24.307 16.409 1.00 19.15 N ATOM 1266 CA CYS A 83 9.309 23.444 17.224 1.00 22.90 C ATOM 1267 C CYS A 83 7.881 23.956 17.199 1.00 27.33 C ATOM 1268 O CYS A 83 7.624 25.122 17.489 1.00 28.43 O ATOM 1269 CB CYS A 83 9.821 23.391 18.670 1.00 23.48 C ATOM 1270 SG CYS A 83 11.398 22.498 18.793 1.00 21.26 S ATOM 1271 HA CYS A 83 9.343 22.435 16.813 1.00 0.00 H ATOM 1272 HB2 CYS A 83 9.080 22.886 19.289 1.00 0.00 H ATOM 1273 HB3 CYS A 83 9.962 24.409 19.032 1.00 0.00 H ATOM 1274 H CYS A 83 10.574 25.155 16.834 1.00 0.00 H ATOM 1275 N LYS A 84 6.959 23.078 16.822 1.00 24.06 N ATOM 1276 CA LYS A 84 5.546 23.416 16.777 1.00 30.58 C ATOM 1277 C LYS A 84 4.998 23.045 18.150 1.00 31.91 C ATOM 1278 O LYS A 84 5.744 23.031 19.129 1.00 33.44 O ATOM 1279 CB LYS A 84 4.852 22.603 15.683 1.00 37.30 C ATOM 1280 CG LYS A 84 5.488 22.744 14.300 1.00 42.80 C ATOM 1281 CD LYS A 84 4.911 23.898 13.476 1.00 48.97 C ATOM 1282 CE LYS A 84 5.182 25.269 14.081 1.00 51.80 C ATOM 1283 NZ LYS A 84 4.335 25.555 15.272 1.00 54.51 N ATOM 1284 HA LYS A 84 5.380 24.469 16.551 1.00 0.00 H ATOM 1285 HB2 LYS A 84 4.881 21.551 15.968 1.00 0.00 H ATOM 1286 HB3 LYS A 84 3.815 22.932 15.618 1.00 0.00 H ATOM 1287 HG2 LYS A 84 6.557 22.912 14.427 1.00 0.00 H ATOM 1288 HG3 LYS A 84 5.330 21.815 13.751 1.00 0.00 H ATOM 1289 HD2 LYS A 84 5.353 23.866 12.480 1.00 0.00 H ATOM 1290 HD3 LYS A 84 3.832 23.762 13.398 1.00 0.00 H ATOM 1291 HE2 LYS A 84 4.986 26.028 13.324 1.00 0.00 H ATOM 1292 HE3 LYS A 84 6.229 25.317 14.379 1.00 0.00 H ATOM 1293 HZ1 LYS A 84 3.332 25.521 14.999 1.00 0.00 H ATOM 1294 HZ2 LYS A 84 4.520 24.842 16.006 1.00 0.00 H ATOM 1295 HZ3 LYS A 84 4.564 26.501 15.640 1.00 0.00 H ATOM 1296 H LYS A 84 7.257 22.119 16.551 1.00 0.00 H ATOM 1297 N ASN A 85 3.711 22.734 18.231 1.00 31.49 N ATOM 1298 CA ASN A 85 3.115 22.364 19.509 1.00 36.29 C ATOM 1299 C ASN A 85 3.243 20.865 19.786 1.00 35.71 C ATOM 1300 O ASN A 85 3.431 20.071 18.867 1.00 32.46 O ATOM 1301 CB ASN A 85 1.638 22.768 19.534 1.00 42.49 C ATOM 1302 CG ASN A 85 0.840 22.133 18.411 1.00 46.83 C ATOM 1303 OD1 ASN A 85 1.105 22.372 17.232 1.00 50.89 O ATOM 1304 ND2 ASN A 85 -0.145 21.318 18.772 1.00 52.72 N ATOM 1305 HA ASN A 85 3.658 22.896 20.290 1.00 0.00 H ATOM 1306 HB2 ASN A 85 1.207 22.459 20.487 1.00 0.00 H ATOM 1307 HB3 ASN A 85 1.571 23.852 19.441 1.00 0.00 H ATOM 1308 HD22 ASN A 85 -0.334 21.145 19.780 1.00 0.00 H ATOM 1309 HD21 ASN A 85 -0.728 20.853 18.047 1.00 0.00 H ATOM 1310 H ASN A 85 3.121 22.754 17.375 1.00 0.00 H ATOM 1311 N ASP A 86 3.154 20.497 21.063 1.00 34.18 N ATOM 1312 CA ASP A 86 3.221 19.102 21.508 1.00 34.98 C ATOM 1313 C ASP A 86 4.360 18.265 20.917 1.00 28.21 C ATOM 1314 O ASP A 86 4.152 17.111 20.538 1.00 29.33 O ATOM 1315 CB ASP A 86 1.885 18.411 21.226 1.00 42.78 C ATOM 1316 CG ASP A 86 0.703 19.185 21.774 1.00 50.07 C ATOM 1317 OD1 ASP A 86 0.715 19.508 22.979 1.00 56.21 O ATOM 1318 OD2 ASP A 86 -0.236 19.469 21.001 1.00 53.32 O ATOM 1319 HA ASP A 86 3.435 19.158 22.575 1.00 0.00 H ATOM 1320 HB2 ASP A 86 1.766 18.308 20.148 1.00 0.00 H ATOM 1321 HB3 ASP A 86 1.899 17.423 21.685 1.00 0.00 H ATOM 1322 H ASP A 86 3.031 21.238 21.782 1.00 0.00 H ATOM 1323 N THR A 87 5.552 18.854 20.865 1.00 24.17 N ATOM 1324 CA THR A 87 6.767 18.222 20.337 1.00 20.86 C ATOM 1325 C THR A 87 6.754 17.966 18.828 1.00 22.09 C ATOM 1326 O THR A 87 7.598 17.238 18.309 1.00 19.44 O ATOM 1327 CB THR A 87 7.123 16.893 21.073 1.00 21.73 C ATOM 1328 OG1 THR A 87 6.190 15.863 20.723 1.00 25.60 O ATOM 1329 CG2 THR A 87 7.111 17.099 22.580 1.00 25.48 C ATOM 1330 HA THR A 87 7.538 18.968 20.533 1.00 0.00 H ATOM 1331 HB THR A 87 8.123 16.590 20.763 1.00 0.00 H ATOM 1332 HG1 THR A 87 5.277 16.143 20.985 1.00 0.00 H ATOM 1333 HG23 THR A 87 7.821 17.883 22.844 1.00 0.00 H ATOM 1334 HG21 THR A 87 6.110 17.392 22.897 1.00 0.00 H ATOM 1335 HG22 THR A 87 7.393 16.170 23.075 1.00 0.00 H ATOM 1336 H THR A 87 5.628 19.828 21.223 1.00 0.00 H ATOM 1337 N LEU A 88 5.805 18.578 18.128 1.00 21.68 N ATOM 1338 CA LEU A 88 5.725 18.451 16.673 1.00 21.44 C ATOM 1339 C LEU A 88 6.938 19.225 16.140 1.00 20.87 C ATOM 1340 O LEU A 88 7.190 20.352 16.565 1.00 22.23 O ATOM 1341 CB LEU A 88 4.420 19.080 16.176 1.00 26.61 C ATOM 1342 CG LEU A 88 3.944 18.812 14.752 1.00 30.07 C ATOM 1343 CD1 LEU A 88 3.802 17.306 14.526 1.00 26.79 C ATOM 1344 CD2 LEU A 88 2.604 19.512 14.538 1.00 33.86 C ATOM 1345 HA LEU A 88 5.732 17.414 16.339 1.00 0.00 H ATOM 1346 HB2 LEU A 88 3.630 18.737 16.843 1.00 0.00 H ATOM 1347 HB3 LEU A 88 4.532 20.160 16.274 1.00 0.00 H ATOM 1348 HG LEU A 88 4.671 19.199 14.039 1.00 0.00 H ATOM 1349 HD21 LEU A 88 1.875 19.124 15.250 1.00 0.00 H ATOM 1350 HD22 LEU A 88 2.727 20.584 14.690 1.00 0.00 H ATOM 1351 HD23 LEU A 88 2.256 19.325 13.522 1.00 0.00 H ATOM 1352 HD11 LEU A 88 4.768 16.824 14.680 1.00 0.00 H ATOM 1353 HD12 LEU A 88 3.076 16.901 15.231 1.00 0.00 H ATOM 1354 HD13 LEU A 88 3.462 17.123 13.507 1.00 0.00 H ATOM 1355 H LEU A 88 5.103 19.161 18.626 1.00 0.00 H ATOM 1356 N PHE A 89 7.689 18.628 15.218 1.00 17.66 N ATOM 1357 CA PHE A 89 8.896 19.259 14.680 1.00 18.94 C ATOM 1358 C PHE A 89 8.863 19.337 13.150 1.00 20.65 C ATOM 1359 O PHE A 89 8.483 18.374 12.489 1.00 20.66 O ATOM 1360 CB PHE A 89 10.122 18.452 15.133 1.00 18.07 C ATOM 1361 CG PHE A 89 11.425 19.180 14.986 1.00 18.39 C ATOM 1362 CD1 PHE A 89 11.723 20.271 15.796 1.00 19.37 C ATOM 1363 CD2 PHE A 89 12.361 18.774 14.041 1.00 17.95 C ATOM 1364 CE1 PHE A 89 12.933 20.947 15.668 1.00 17.71 C ATOM 1365 CE2 PHE A 89 13.573 19.444 13.907 1.00 19.75 C ATOM 1366 CZ PHE A 89 13.859 20.537 14.726 1.00 20.14 C ATOM 1367 HA PHE A 89 8.950 20.280 15.059 1.00 0.00 H ATOM 1368 HB2 PHE A 89 9.992 18.192 16.184 1.00 0.00 H ATOM 1369 HB3 PHE A 89 10.170 17.540 14.538 1.00 0.00 H ATOM 1370 HD2 PHE A 89 12.143 17.921 13.398 1.00 0.00 H ATOM 1371 HE2 PHE A 89 14.299 19.115 13.163 1.00 0.00 H ATOM 1372 HZ PHE A 89 14.807 21.065 14.624 1.00 0.00 H ATOM 1373 HE1 PHE A 89 13.151 21.800 16.311 1.00 0.00 H ATOM 1374 HD1 PHE A 89 10.999 20.601 16.541 1.00 0.00 H ATOM 1375 H PHE A 89 7.411 17.688 14.870 1.00 0.00 H ATOM 1376 N GLY A 90 9.268 20.475 12.590 1.00 21.27 N ATOM 1377 CA GLY A 90 9.252 20.616 11.139 1.00 20.70 C ATOM 1378 C GLY A 90 10.006 21.798 10.555 1.00 19.77 C ATOM 1379 O GLY A 90 10.641 22.567 11.277 1.00 19.17 O ATOM 1380 HA3 GLY A 90 8.211 20.703 10.828 1.00 0.00 H ATOM 1381 HA2 GLY A 90 9.682 19.709 10.715 1.00 0.00 H ATOM 1382 H GLY A 90 9.595 21.262 13.186 1.00 0.00 H ATOM 1383 N ILE A 91 9.948 21.937 9.231 1.00 19.13 N ATOM 1384 CA ILE A 91 10.628 23.035 8.549 1.00 19.15 C ATOM 1385 C ILE A 91 10.024 24.374 8.956 1.00 25.18 C ATOM 1386 O ILE A 91 8.805 24.517 9.055 1.00 25.97 O ATOM 1387 CB ILE A 91 10.537 22.898 7.008 1.00 26.83 C ATOM 1388 CG1 ILE A 91 11.386 21.718 6.533 1.00 26.94 C ATOM 1389 CG2 ILE A 91 11.029 24.179 6.336 1.00 25.46 C ATOM 1390 CD1 ILE A 91 12.875 21.870 6.804 1.00 23.59 C ATOM 1391 HA ILE A 91 11.676 22.991 8.845 1.00 0.00 H ATOM 1392 HB ILE A 91 9.496 22.725 6.737 1.00 0.00 H ATOM 1393 HG12 ILE A 91 11.036 20.819 7.041 1.00 0.00 H ATOM 1394 HG13 ILE A 91 11.244 21.605 5.458 1.00 0.00 H ATOM 1395 HD11 ILE A 91 13.247 22.758 6.293 1.00 0.00 H ATOM 1396 HD12 ILE A 91 13.039 21.971 7.877 1.00 0.00 H ATOM 1397 HD13 ILE A 91 13.402 20.990 6.436 1.00 0.00 H ATOM 1398 HG21 ILE A 91 10.411 25.017 6.658 1.00 0.00 H ATOM 1399 HG22 ILE A 91 12.066 24.361 6.619 1.00 0.00 H ATOM 1400 HG23 ILE A 91 10.960 24.070 5.254 1.00 0.00 H ATOM 1401 H ILE A 91 9.406 21.248 8.671 1.00 0.00 H ATOM 1402 N LYS A 92 10.891 25.351 9.190 1.00 27.57 N ATOM 1403 CA LYS A 92 10.475 26.687 9.604 1.00 31.31 C ATOM 1404 C LYS A 92 9.595 27.370 8.560 1.00 34.69 C ATOM 1405 O LYS A 92 9.948 27.434 7.380 1.00 32.42 O ATOM 1406 CB LYS A 92 11.717 27.543 9.872 1.00 33.43 C ATOM 1407 CG LYS A 92 11.439 28.949 10.386 1.00 34.53 C ATOM 1408 CD LYS A 92 12.707 29.791 10.317 1.00 39.03 C ATOM 1409 CE LYS A 92 12.504 31.185 10.894 1.00 41.97 C ATOM 1410 NZ LYS A 92 12.263 31.144 12.363 1.00 51.11 N ATOM 1411 HA LYS A 92 9.880 26.583 10.512 1.00 0.00 H ATOM 1412 HB2 LYS A 92 12.328 27.028 10.613 1.00 0.00 H ATOM 1413 HB3 LYS A 92 12.275 27.629 8.939 1.00 0.00 H ATOM 1414 HG2 LYS A 92 10.665 29.411 9.773 1.00 0.00 H ATOM 1415 HG3 LYS A 92 11.098 28.895 11.420 1.00 0.00 H ATOM 1416 HD2 LYS A 92 13.493 29.289 10.880 1.00 0.00 H ATOM 1417 HD3 LYS A 92 13.011 29.883 9.274 1.00 0.00 H ATOM 1418 HE2 LYS A 92 11.645 31.647 10.408 1.00 0.00 H ATOM 1419 HE3 LYS A 92 13.395 31.782 10.699 1.00 0.00 H ATOM 1420 HZ1 LYS A 92 11.410 30.581 12.558 1.00 0.00 H ATOM 1421 HZ2 LYS A 92 13.082 30.710 12.835 1.00 0.00 H ATOM 1422 HZ3 LYS A 92 12.130 32.112 12.718 1.00 0.00 H ATOM 1423 H LYS A 92 11.906 25.157 9.074 1.00 0.00 H ATOM 1424 N GLY A 93 8.444 27.871 9.003 1.00 33.38 N ATOM 1425 CA GLY A 93 7.533 28.567 8.110 1.00 33.20 C ATOM 1426 C GLY A 93 6.652 27.716 7.215 1.00 36.33 C ATOM 1427 O GLY A 93 5.980 28.247 6.331 1.00 36.95 O ATOM 1428 HA3 GLY A 93 8.133 29.209 7.465 1.00 0.00 H ATOM 1429 HA2 GLY A 93 6.877 29.183 8.725 1.00 0.00 H ATOM 1430 H GLY A 93 8.192 27.762 10.006 1.00 0.00 H ATOM 1431 N THR A 94 6.641 26.404 7.431 1.00 32.16 N ATOM 1432 CA THR A 94 5.825 25.512 6.611 1.00 34.93 C ATOM 1433 C THR A 94 5.074 24.494 7.463 1.00 34.28 C ATOM 1434 O THR A 94 5.337 24.350 8.657 1.00 38.48 O ATOM 1435 CB THR A 94 6.689 24.742 5.599 1.00 41.12 C ATOM 1436 OG1 THR A 94 7.599 23.889 6.305 1.00 47.55 O ATOM 1437 CG2 THR A 94 7.477 25.705 4.728 1.00 43.62 C ATOM 1438 HA THR A 94 5.111 26.146 6.086 1.00 0.00 H ATOM 1439 HB THR A 94 6.036 24.146 4.962 1.00 0.00 H ATOM 1440 HG1 THR A 94 8.181 24.439 6.887 1.00 0.00 H ATOM 1441 HG23 THR A 94 6.786 26.355 4.190 1.00 0.00 H ATOM 1442 HG21 THR A 94 8.131 26.309 5.357 1.00 0.00 H ATOM 1443 HG22 THR A 94 8.077 25.140 4.014 1.00 0.00 H ATOM 1444 H THR A 94 7.223 26.007 8.196 1.00 0.00 H ATOM 1445 N GLU A 95 4.134 23.788 6.842 1.00 28.55 N ATOM 1446 CA GLU A 95 3.355 22.776 7.540 1.00 29.73 C ATOM 1447 C GLU A 95 3.878 21.385 7.179 1.00 29.08 C ATOM 1448 O GLU A 95 3.104 20.444 7.021 1.00 32.41 O ATOM 1449 CB GLU A 95 1.875 22.893 7.159 1.00 33.86 C ATOM 1450 CG GLU A 95 1.294 24.291 7.358 1.00 44.46 C ATOM 1451 CD GLU A 95 -0.176 24.374 6.987 1.00 49.39 C ATOM 1452 OE1 GLU A 95 -0.993 23.688 7.637 1.00 49.38 O ATOM 1453 OE2 GLU A 95 -0.512 25.121 6.045 1.00 49.38 O ATOM 1454 HA GLU A 95 3.453 22.930 8.615 1.00 0.00 H ATOM 1455 HB2 GLU A 95 1.768 22.623 6.108 1.00 0.00 H ATOM 1456 HB3 GLU A 95 1.306 22.194 7.772 1.00 0.00 H ATOM 1457 HG2 GLU A 95 1.406 24.569 8.406 1.00 0.00 H ATOM 1458 HG3 GLU A 95 1.851 24.992 6.736 1.00 0.00 H ATOM 1459 H GLU A 95 3.951 23.963 5.833 1.00 0.00 H ATOM 1460 N LEU A 96 5.197 21.272 7.042 1.00 25.52 N ATOM 1461 CA LEU A 96 5.843 20.004 6.706 1.00 23.73 C ATOM 1462 C LEU A 96 6.692 19.582 7.898 1.00 22.79 C ATOM 1463 O LEU A 96 7.532 20.342 8.364 1.00 23.49 O ATOM 1464 CB LEU A 96 6.719 20.166 5.462 1.00 18.90 C ATOM 1465 CG LEU A 96 5.944 20.428 4.165 1.00 21.63 C ATOM 1466 CD1 LEU A 96 6.911 20.659 3.020 1.00 20.43 C ATOM 1467 CD2 LEU A 96 5.042 19.240 3.861 1.00 26.95 C ATOM 1468 HA LEU A 96 5.092 19.244 6.488 1.00 0.00 H ATOM 1469 HB2 LEU A 96 7.396 21.004 5.629 1.00 0.00 H ATOM 1470 HB3 LEU A 96 7.299 19.252 5.333 1.00 0.00 H ATOM 1471 HG LEU A 96 5.329 21.320 4.287 1.00 0.00 H ATOM 1472 HD21 LEU A 96 5.651 18.343 3.745 1.00 0.00 H ATOM 1473 HD22 LEU A 96 4.339 19.100 4.682 1.00 0.00 H ATOM 1474 HD23 LEU A 96 4.493 19.429 2.939 1.00 0.00 H ATOM 1475 HD11 LEU A 96 7.538 21.522 3.244 1.00 0.00 H ATOM 1476 HD12 LEU A 96 7.538 19.776 2.892 1.00 0.00 H ATOM 1477 HD13 LEU A 96 6.350 20.844 2.104 1.00 0.00 H ATOM 1478 H LEU A 96 5.789 22.116 7.179 1.00 0.00 H ATOM 1479 N TYR A 97 6.480 18.365 8.379 1.00 18.60 N ATOM 1480 CA TYR A 97 7.199 17.906 9.557 1.00 19.13 C ATOM 1481 C TYR A 97 8.246 16.813 9.385 1.00 19.74 C ATOM 1482 O TYR A 97 8.176 15.994 8.466 1.00 17.66 O ATOM 1483 CB TYR A 97 6.188 17.452 10.611 1.00 20.10 C ATOM 1484 CG TYR A 97 5.036 18.417 10.793 1.00 23.77 C ATOM 1485 CD1 TYR A 97 3.821 18.212 10.143 1.00 24.38 C ATOM 1486 CD2 TYR A 97 5.175 19.554 11.587 1.00 29.92 C ATOM 1487 CE1 TYR A 97 2.767 19.117 10.279 1.00 31.09 C ATOM 1488 CE2 TYR A 97 4.131 20.467 11.729 1.00 34.49 C ATOM 1489 CZ TYR A 97 2.930 20.241 11.072 1.00 36.81 C ATOM 1490 OH TYR A 97 1.899 21.145 11.207 1.00 36.86 O ATOM 1491 HA TYR A 97 7.783 18.779 9.849 1.00 0.00 H ATOM 1492 HB3 TYR A 97 6.706 17.347 11.565 1.00 0.00 H ATOM 1493 HB2 TYR A 97 5.785 16.485 10.310 1.00 0.00 H ATOM 1494 HD2 TYR A 97 6.117 19.733 12.106 1.00 0.00 H ATOM 1495 HE2 TYR A 97 4.257 21.352 12.352 1.00 0.00 H ATOM 1496 HE1 TYR A 97 1.822 18.940 9.765 1.00 0.00 H ATOM 1497 HD1 TYR A 97 3.691 17.329 9.517 1.00 0.00 H ATOM 1498 HH TYR A 97 1.120 20.837 10.678 1.00 0.00 H ATOM 1499 H TYR A 97 5.796 17.736 7.912 1.00 0.00 H ATOM 1500 N PHE A 98 9.210 16.830 10.305 1.00 16.58 N ATOM 1501 CA PHE A 98 10.294 15.852 10.393 1.00 20.19 C ATOM 1502 C PHE A 98 9.491 14.581 10.677 1.00 18.35 C ATOM 1503 O PHE A 98 8.829 14.486 11.712 1.00 16.95 O ATOM 1504 CB PHE A 98 11.169 16.219 11.596 1.00 17.03 C ATOM 1505 CG PHE A 98 12.504 15.537 11.631 1.00 16.21 C ATOM 1506 CD1 PHE A 98 13.603 16.090 10.974 1.00 16.24 C ATOM 1507 CD2 PHE A 98 12.684 14.377 12.380 1.00 15.61 C ATOM 1508 CE1 PHE A 98 14.867 15.501 11.070 1.00 16.36 C ATOM 1509 CE2 PHE A 98 13.945 13.779 12.483 1.00 14.85 C ATOM 1510 CZ PHE A 98 15.036 14.344 11.828 1.00 17.85 C ATOM 1511 HA PHE A 98 10.954 15.778 9.528 1.00 0.00 H ATOM 1512 HB2 PHE A 98 11.338 17.296 11.578 1.00 0.00 H ATOM 1513 HB3 PHE A 98 10.628 15.953 12.504 1.00 0.00 H ATOM 1514 HD2 PHE A 98 11.832 13.929 12.892 1.00 0.00 H ATOM 1515 HE2 PHE A 98 14.073 12.873 13.075 1.00 0.00 H ATOM 1516 HZ PHE A 98 16.020 13.882 11.908 1.00 0.00 H ATOM 1517 HE1 PHE A 98 15.718 15.945 10.554 1.00 0.00 H ATOM 1518 HD1 PHE A 98 13.475 16.993 10.378 1.00 0.00 H ATOM 1519 H PHE A 98 9.190 17.593 11.011 1.00 0.00 H ATOM 1520 N ASN A 99 9.556 13.599 9.783 1.00 21.65 N ATOM 1521 CA ASN A 99 8.724 12.409 9.942 1.00 19.33 C ATOM 1522 C ASN A 99 9.402 11.068 9.673 1.00 18.83 C ATOM 1523 O ASN A 99 10.326 10.975 8.862 1.00 17.10 O ATOM 1524 CB ASN A 99 7.501 12.596 9.026 1.00 17.02 C ATOM 1525 CG ASN A 99 6.499 11.467 9.117 1.00 19.36 C ATOM 1526 OD1 ASN A 99 6.625 10.454 8.435 1.00 22.96 O ATOM 1527 ND2 ASN A 99 5.489 11.642 9.959 1.00 16.38 N ATOM 1528 HA ASN A 99 8.461 12.340 10.998 1.00 0.00 H ATOM 1529 HB2 ASN A 99 7.001 13.524 9.303 1.00 0.00 H ATOM 1530 HB3 ASN A 99 7.849 12.666 7.996 1.00 0.00 H ATOM 1531 HD22 ASN A 99 5.423 12.517 10.517 1.00 0.00 H ATOM 1532 HD21 ASN A 99 4.763 10.904 10.061 1.00 0.00 H ATOM 1533 H ASN A 99 10.200 13.678 8.970 1.00 0.00 H ATOM 1534 N TYR A 100 8.931 10.029 10.362 1.00 18.17 N ATOM 1535 CA TYR A 100 9.459 8.673 10.196 1.00 21.33 C ATOM 1536 C TYR A 100 8.419 7.585 10.484 1.00 22.37 C ATOM 1537 O TYR A 100 7.673 7.670 11.464 1.00 21.07 O ATOM 1538 CB TYR A 100 10.669 8.441 11.113 1.00 19.34 C ATOM 1539 CG TYR A 100 11.091 6.987 11.156 1.00 19.05 C ATOM 1540 CD1 TYR A 100 11.714 6.386 10.059 1.00 20.48 C ATOM 1541 CD2 TYR A 100 10.803 6.194 12.265 1.00 22.76 C ATOM 1542 CE1 TYR A 100 12.032 5.026 10.065 1.00 22.29 C ATOM 1543 CE2 TYR A 100 11.117 4.840 12.283 1.00 24.61 C ATOM 1544 CZ TYR A 100 11.727 4.262 11.182 1.00 29.56 C ATOM 1545 OH TYR A 100 12.016 2.919 11.198 1.00 28.97 O ATOM 1546 HA TYR A 100 9.752 8.597 9.149 1.00 0.00 H ATOM 1547 HB3 TYR A 100 10.410 8.761 12.122 1.00 0.00 H ATOM 1548 HB2 TYR A 100 11.505 9.038 10.748 1.00 0.00 H ATOM 1549 HD2 TYR A 100 10.323 6.644 13.134 1.00 0.00 H ATOM 1550 HE2 TYR A 100 10.884 4.236 13.160 1.00 0.00 H ATOM 1551 HE1 TYR A 100 12.515 4.570 9.201 1.00 0.00 H ATOM 1552 HD1 TYR A 100 11.956 6.989 9.184 1.00 0.00 H ATOM 1553 HH TYR A 100 12.447 2.665 10.343 1.00 0.00 H ATOM 1554 H TYR A 100 8.160 10.187 11.042 1.00 0.00 H ATOM 1555 N GLY A 101 8.367 6.563 9.628 1.00 24.34 N ATOM 1556 CA GLY A 101 7.432 5.473 9.858 1.00 22.25 C ATOM 1557 C GLY A 101 6.500 5.086 8.722 1.00 25.77 C ATOM 1558 O GLY A 101 5.998 3.962 8.691 1.00 24.15 O ATOM 1559 HA3 GLY A 101 6.810 5.752 10.708 1.00 0.00 H ATOM 1560 HA2 GLY A 101 8.018 4.590 10.113 1.00 0.00 H ATOM 1561 H GLY A 101 8.994 6.546 8.798 1.00 0.00 H ATOM 1562 N ASN A 102 6.264 5.999 7.789 1.00 21.85 N ATOM 1563 CA ASN A 102 5.365 5.718 6.672 1.00 27.45 C ATOM 1564 C ASN A 102 6.029 4.974 5.506 1.00 26.13 C ATOM 1565 O ASN A 102 7.213 5.160 5.228 1.00 28.88 O ATOM 1566 CB ASN A 102 4.752 7.032 6.166 1.00 26.36 C ATOM 1567 CG ASN A 102 3.822 7.680 7.186 1.00 32.54 C ATOM 1568 OD1 ASN A 102 2.760 7.148 7.495 1.00 30.26 O ATOM 1569 ND2 ASN A 102 4.223 8.834 7.714 1.00 23.71 N ATOM 1570 HA ASN A 102 4.595 5.050 7.058 1.00 0.00 H ATOM 1571 HB2 ASN A 102 5.559 7.728 5.938 1.00 0.00 H ATOM 1572 HB3 ASN A 102 4.185 6.826 5.258 1.00 0.00 H ATOM 1573 HD22 ASN A 102 5.131 9.251 7.424 1.00 0.00 H ATOM 1574 HD21 ASN A 102 3.629 9.319 8.416 1.00 0.00 H ATOM 1575 H ASN A 102 6.726 6.929 7.854 1.00 0.00 H ATOM 1576 N ARG A 103 5.251 4.119 4.842 1.00 28.82 N ATOM 1577 CA ARG A 103 5.702 3.355 3.671 1.00 31.75 C ATOM 1578 C ARG A 103 7.009 2.567 3.769 1.00 34.23 C ATOM 1579 O ARG A 103 7.709 2.418 2.768 1.00 40.67 O ATOM 1580 CB ARG A 103 5.817 4.284 2.457 1.00 31.65 C ATOM 1581 CG ARG A 103 4.572 5.079 2.129 1.00 36.74 C ATOM 1582 CD ARG A 103 3.367 4.183 1.895 1.00 33.83 C ATOM 1583 NE ARG A 103 2.199 4.971 1.520 1.00 30.02 N ATOM 1584 CZ ARG A 103 1.999 5.492 0.313 1.00 30.10 C ATOM 1585 NH1 ARG A 103 2.885 5.306 -0.655 1.00 28.38 N ATOM 1586 NH2 ARG A 103 0.915 6.214 0.081 1.00 29.19 N ATOM 1587 HA ARG A 103 4.926 2.594 3.585 1.00 0.00 H ATOM 1588 HB2 ARG A 103 6.626 4.989 2.648 1.00 0.00 H ATOM 1589 HB3 ARG A 103 6.066 3.674 1.589 1.00 0.00 H ATOM 1590 HG2 ARG A 103 4.355 5.751 2.959 1.00 0.00 H ATOM 1591 HG3 ARG A 103 4.756 5.664 1.228 1.00 0.00 H ATOM 1592 HD2 ARG A 103 3.148 3.632 2.810 1.00 0.00 H ATOM 1593 HD3 ARG A 103 3.595 3.479 1.095 1.00 0.00 H ATOM 1594 HE ARG A 103 1.473 5.137 2.246 1.00 0.00 H ATOM 1595 HH12 ARG A 103 2.721 5.717 -1.596 1.00 0.00 H ATOM 1596 HH11 ARG A 103 3.744 4.749 -0.473 1.00 0.00 H ATOM 1597 HH22 ARG A 103 0.755 6.623 -0.862 1.00 0.00 H ATOM 1598 HH21 ARG A 103 0.223 6.372 0.841 1.00 0.00 H ATOM 1599 H ARG A 103 4.273 3.986 5.170 1.00 0.00 H ATOM 1600 N GLN A 104 7.345 2.054 4.945 1.00 36.27 N ATOM 1601 CA GLN A 104 8.587 1.297 5.090 1.00 36.31 C ATOM 1602 C GLN A 104 9.789 2.096 4.575 1.00 34.26 C ATOM 1603 O GLN A 104 10.807 1.523 4.170 1.00 29.42 O ATOM 1604 CB GLN A 104 8.500 -0.033 4.333 1.00 40.73 C ATOM 1605 CG GLN A 104 7.616 -1.094 4.986 1.00 46.84 C ATOM 1606 CD GLN A 104 6.137 -0.772 4.913 1.00 48.02 C ATOM 1607 OE1 GLN A 104 5.671 0.206 5.495 1.00 49.88 O ATOM 1608 NE2 GLN A 104 5.389 -1.601 4.194 1.00 49.88 N ATOM 1609 HA GLN A 104 8.727 1.101 6.153 1.00 0.00 H ATOM 1610 HB2 GLN A 104 8.105 0.170 3.338 1.00 0.00 H ATOM 1611 HB3 GLN A 104 9.508 -0.439 4.247 1.00 0.00 H ATOM 1612 HG2 GLN A 104 7.788 -2.045 4.483 1.00 0.00 H ATOM 1613 HG3 GLN A 104 7.899 -1.183 6.035 1.00 0.00 H ATOM 1614 HE22 GLN A 104 5.826 -2.416 3.719 1.00 0.00 H ATOM 1615 HE21 GLN A 104 4.366 -1.435 4.106 1.00 0.00 H ATOM 1616 H GLN A 104 6.723 2.191 5.767 1.00 0.00 H ATOM 1617 N GLU A 105 9.662 3.418 4.580 1.00 28.07 N ATOM 1618 CA GLU A 105 10.738 4.299 4.133 1.00 26.31 C ATOM 1619 C GLU A 105 11.728 4.460 5.285 1.00 22.13 C ATOM 1620 O GLU A 105 11.362 4.909 6.370 1.00 22.83 O ATOM 1621 CB GLU A 105 10.163 5.659 3.722 1.00 21.89 C ATOM 1622 CG GLU A 105 11.200 6.755 3.469 1.00 24.56 C ATOM 1623 CD GLU A 105 12.183 6.399 2.369 1.00 26.82 C ATOM 1624 OE1 GLU A 105 11.734 6.095 1.245 1.00 23.79 O ATOM 1625 OE2 GLU A 105 13.405 6.429 2.626 1.00 26.00 O ATOM 1626 HA GLU A 105 11.245 3.873 3.267 1.00 0.00 H ATOM 1627 HB2 GLU A 105 9.589 5.520 2.806 1.00 0.00 H ATOM 1628 HB3 GLU A 105 9.500 5.999 4.517 1.00 0.00 H ATOM 1629 HG2 GLU A 105 10.678 7.669 3.186 1.00 0.00 H ATOM 1630 HG3 GLU A 105 11.757 6.926 4.390 1.00 0.00 H ATOM 1631 H GLU A 105 8.770 3.838 4.912 1.00 0.00 H ATOM 1632 N LYS A 106 12.981 4.092 5.046 1.00 19.72 N ATOM 1633 CA LYS A 106 14.014 4.178 6.079 1.00 21.41 C ATOM 1634 C LYS A 106 14.514 5.584 6.382 1.00 18.91 C ATOM 1635 O LYS A 106 14.863 5.887 7.518 1.00 19.64 O ATOM 1636 CB LYS A 106 15.219 3.310 5.701 1.00 22.61 C ATOM 1637 CG LYS A 106 14.946 1.816 5.672 1.00 30.15 C ATOM 1638 CD LYS A 106 16.239 1.047 5.423 1.00 32.54 C ATOM 1639 CE LYS A 106 15.984 -0.443 5.287 1.00 40.01 C ATOM 1640 NZ LYS A 106 15.313 -0.989 6.495 1.00 44.64 N ATOM 1641 HA LYS A 106 13.523 3.820 6.984 1.00 0.00 H ATOM 1642 HB2 LYS A 106 15.557 3.612 4.710 1.00 0.00 H ATOM 1643 HB3 LYS A 106 16.011 3.496 6.426 1.00 0.00 H ATOM 1644 HG2 LYS A 106 14.523 1.509 6.628 1.00 0.00 H ATOM 1645 HG3 LYS A 106 14.237 1.595 4.875 1.00 0.00 H ATOM 1646 HD2 LYS A 106 16.698 1.413 4.505 1.00 0.00 H ATOM 1647 HD3 LYS A 106 16.918 1.215 6.259 1.00 0.00 H ATOM 1648 HE2 LYS A 106 16.936 -0.955 5.147 1.00 0.00 H ATOM 1649 HE3 LYS A 106 15.349 -0.617 4.419 1.00 0.00 H ATOM 1650 HZ1 LYS A 106 15.917 -0.831 7.327 1.00 0.00 H ATOM 1651 HZ2 LYS A 106 14.401 -0.508 6.631 1.00 0.00 H ATOM 1652 HZ3 LYS A 106 15.153 -2.009 6.370 1.00 0.00 H ATOM 1653 H LYS A 106 13.234 3.734 4.103 1.00 0.00 H ATOM 1654 N ASN A 107 14.564 6.436 5.366 1.00 15.53 N ATOM 1655 CA ASN A 107 15.059 7.794 5.551 1.00 16.89 C ATOM 1656 C ASN A 107 14.021 8.720 6.168 1.00 17.63 C ATOM 1657 O ASN A 107 12.825 8.573 5.926 1.00 19.87 O ATOM 1658 CB ASN A 107 15.498 8.385 4.208 1.00 17.79 C ATOM 1659 CG ASN A 107 16.602 9.406 4.357 1.00 15.75 C ATOM 1660 OD1 ASN A 107 17.781 9.068 4.291 1.00 18.85 O ATOM 1661 ND2 ASN A 107 16.227 10.664 4.574 1.00 16.05 N ATOM 1662 HA ASN A 107 15.903 7.722 6.238 1.00 0.00 H ATOM 1663 HB2 ASN A 107 15.854 7.576 3.570 1.00 0.00 H ATOM 1664 HB3 ASN A 107 14.639 8.865 3.740 1.00 0.00 H ATOM 1665 HD22 ASN A 107 15.216 10.904 4.622 1.00 0.00 H ATOM 1666 HD21 ASN A 107 16.945 11.407 4.695 1.00 0.00 H ATOM 1667 H ASN A 107 14.245 6.130 4.424 1.00 0.00 H ATOM 1668 N ILE A 108 14.487 9.669 6.971 1.00 18.55 N ATOM 1669 CA ILE A 108 13.595 10.649 7.576 1.00 16.48 C ATOM 1670 C ILE A 108 12.996 11.412 6.402 1.00 16.03 C ATOM 1671 O ILE A 108 13.686 11.684 5.417 1.00 15.52 O ATOM 1672 CB ILE A 108 14.363 11.647 8.469 1.00 15.55 C ATOM 1673 CG1 ILE A 108 15.041 10.900 9.625 1.00 14.03 C ATOM 1674 CG2 ILE A 108 13.411 12.719 9.004 1.00 16.96 C ATOM 1675 CD1 ILE A 108 14.079 10.134 10.520 1.00 16.77 C ATOM 1676 HA ILE A 108 12.853 10.157 8.205 1.00 0.00 H ATOM 1677 HB ILE A 108 15.132 12.138 7.873 1.00 0.00 H ATOM 1678 HG12 ILE A 108 15.754 10.192 9.203 1.00 0.00 H ATOM 1679 HG13 ILE A 108 15.573 11.628 10.238 1.00 0.00 H ATOM 1680 HD11 ILE A 108 13.365 10.829 10.962 1.00 0.00 H ATOM 1681 HD12 ILE A 108 13.546 9.391 9.927 1.00 0.00 H ATOM 1682 HD13 ILE A 108 14.639 9.635 11.311 1.00 0.00 H ATOM 1683 HG21 ILE A 108 12.965 13.258 8.168 1.00 0.00 H ATOM 1684 HG22 ILE A 108 12.625 12.245 9.592 1.00 0.00 H ATOM 1685 HG23 ILE A 108 13.966 13.416 9.632 1.00 0.00 H ATOM 1686 H ILE A 108 15.507 9.714 7.172 1.00 0.00 H ATOM 1687 N LYS A 109 11.717 11.755 6.509 1.00 16.24 N ATOM 1688 CA LYS A 109 11.023 12.470 5.445 1.00 16.59 C ATOM 1689 C LYS A 109 10.260 13.670 5.971 1.00 15.82 C ATOM 1690 O LYS A 109 9.991 13.772 7.167 1.00 16.47 O ATOM 1691 CB LYS A 109 10.006 11.544 4.766 1.00 20.81 C ATOM 1692 CG LYS A 109 10.586 10.461 3.868 1.00 17.77 C ATOM 1693 CD LYS A 109 11.058 11.053 2.551 1.00 19.85 C ATOM 1694 CE LYS A 109 11.400 9.967 1.538 1.00 18.50 C ATOM 1695 NZ LYS A 109 11.799 10.580 0.241 1.00 14.35 N ATOM 1696 HA LYS A 109 11.787 12.805 4.743 1.00 0.00 H ATOM 1697 HB2 LYS A 109 9.426 11.054 5.548 1.00 0.00 H ATOM 1698 HB3 LYS A 109 9.345 12.162 4.159 1.00 0.00 H ATOM 1699 HG2 LYS A 109 11.430 9.991 4.373 1.00 0.00 H ATOM 1700 HG3 LYS A 109 9.820 9.711 3.670 1.00 0.00 H ATOM 1701 HD2 LYS A 109 10.267 11.682 2.142 1.00 0.00 H ATOM 1702 HD3 LYS A 109 11.945 11.659 2.733 1.00 0.00 H ATOM 1703 HE2 LYS A 109 10.528 9.331 1.383 1.00 0.00 H ATOM 1704 HE3 LYS A 109 12.224 9.364 1.920 1.00 0.00 H ATOM 1705 HZ1 LYS A 109 11.013 11.153 -0.126 1.00 0.00 H ATOM 1706 HZ2 LYS A 109 12.632 11.185 0.387 1.00 0.00 H ATOM 1707 HZ3 LYS A 109 12.029 9.828 -0.440 1.00 0.00 H ATOM 1708 H LYS A 109 11.197 11.507 7.375 1.00 0.00 H ATOM 1709 N LEU A 110 9.929 14.587 5.068 1.00 16.17 N ATOM 1710 CA LEU A 110 9.101 15.724 5.423 1.00 18.69 C ATOM 1711 C LEU A 110 7.722 15.159 5.116 1.00 21.13 C ATOM 1712 O LEU A 110 7.534 14.522 4.075 1.00 21.55 O ATOM 1713 CB LEU A 110 9.378 16.935 4.526 1.00 21.85 C ATOM 1714 CG LEU A 110 10.559 17.845 4.861 1.00 23.70 C ATOM 1715 CD1 LEU A 110 10.497 19.081 3.965 1.00 21.47 C ATOM 1716 CD2 LEU A 110 10.508 18.255 6.327 1.00 21.05 C ATOM 1717 HA LEU A 110 9.254 16.084 6.441 1.00 0.00 H ATOM 1718 HB2 LEU A 110 9.541 16.556 3.517 1.00 0.00 H ATOM 1719 HB3 LEU A 110 8.482 17.555 4.539 1.00 0.00 H ATOM 1720 HG LEU A 110 11.494 17.312 4.688 1.00 0.00 H ATOM 1721 HD21 LEU A 110 9.578 18.790 6.521 1.00 0.00 H ATOM 1722 HD22 LEU A 110 10.554 17.364 6.954 1.00 0.00 H ATOM 1723 HD23 LEU A 110 11.355 18.903 6.551 1.00 0.00 H ATOM 1724 HD11 LEU A 110 10.551 18.774 2.920 1.00 0.00 H ATOM 1725 HD12 LEU A 110 9.560 19.610 4.142 1.00 0.00 H ATOM 1726 HD13 LEU A 110 11.336 19.738 4.196 1.00 0.00 H ATOM 1727 H LEU A 110 10.269 14.488 4.090 1.00 0.00 H ATOM 1728 N TYR A 111 6.768 15.365 6.013 1.00 18.34 N ATOM 1729 CA TYR A 111 5.424 14.842 5.814 1.00 21.28 C ATOM 1730 C TYR A 111 4.386 15.845 6.305 1.00 22.24 C ATOM 1731 O TYR A 111 4.607 16.550 7.290 1.00 17.58 O ATOM 1732 CB TYR A 111 5.280 13.508 6.562 1.00 21.16 C ATOM 1733 CG TYR A 111 4.011 12.749 6.254 1.00 25.50 C ATOM 1734 CD1 TYR A 111 3.676 12.415 4.939 1.00 28.63 C ATOM 1735 CD2 TYR A 111 3.142 12.362 7.275 1.00 22.30 C ATOM 1736 CE1 TYR A 111 2.505 11.718 4.649 1.00 29.55 C ATOM 1737 CE2 TYR A 111 1.967 11.663 6.996 1.00 29.88 C ATOM 1738 CZ TYR A 111 1.656 11.346 5.683 1.00 32.01 C ATOM 1739 OH TYR A 111 0.497 10.659 5.403 1.00 37.01 O ATOM 1740 HA TYR A 111 5.257 14.675 4.750 1.00 0.00 H ATOM 1741 HB3 TYR A 111 5.302 13.714 7.632 1.00 0.00 H ATOM 1742 HB2 TYR A 111 6.128 12.876 6.297 1.00 0.00 H ATOM 1743 HD2 TYR A 111 3.385 12.610 8.308 1.00 0.00 H ATOM 1744 HE2 TYR A 111 1.298 11.368 7.805 1.00 0.00 H ATOM 1745 HE1 TYR A 111 2.257 11.466 3.618 1.00 0.00 H ATOM 1746 HD1 TYR A 111 4.342 12.705 4.126 1.00 0.00 H ATOM 1747 HH TYR A 111 0.513 9.784 5.866 1.00 0.00 H ATOM 1748 H TYR A 111 6.983 15.909 6.873 1.00 0.00 H ATOM 1749 N LYS A 112 3.254 15.911 5.610 1.00 23.74 N ATOM 1750 CA LYS A 112 2.189 16.835 5.982 1.00 24.36 C ATOM 1751 C LYS A 112 1.447 16.366 7.227 1.00 23.14 C ATOM 1752 O LYS A 112 0.809 17.165 7.907 1.00 22.76 O ATOM 1753 CB LYS A 112 1.203 16.998 4.821 1.00 30.24 C ATOM 1754 CG LYS A 112 0.624 15.686 4.322 1.00 38.36 C ATOM 1755 CD LYS A 112 -0.222 15.881 3.076 1.00 43.25 C ATOM 1756 CE LYS A 112 -0.679 14.545 2.517 1.00 49.29 C ATOM 1757 NZ LYS A 112 -1.454 14.705 1.253 1.00 51.13 N ATOM 1758 HA LYS A 112 2.650 17.797 6.207 1.00 0.00 H ATOM 1759 HB2 LYS A 112 0.381 17.632 5.154 1.00 0.00 H ATOM 1760 HB3 LYS A 112 1.722 17.482 3.994 1.00 0.00 H ATOM 1761 HG2 LYS A 112 1.442 15.004 4.090 1.00 0.00 H ATOM 1762 HG3 LYS A 112 0.003 15.253 5.106 1.00 0.00 H ATOM 1763 HD2 LYS A 112 -1.097 16.481 3.328 1.00 0.00 H ATOM 1764 HD3 LYS A 112 0.368 16.401 2.321 1.00 0.00 H ATOM 1765 HE2 LYS A 112 -1.309 14.051 3.256 1.00 0.00 H ATOM 1766 HE3 LYS A 112 0.197 13.928 2.317 1.00 0.00 H ATOM 1767 HZ1 LYS A 112 -2.296 15.287 1.436 1.00 0.00 H ATOM 1768 HZ2 LYS A 112 -0.858 15.170 0.539 1.00 0.00 H ATOM 1769 HZ3 LYS A 112 -1.746 13.769 0.906 1.00 0.00 H ATOM 1770 H LYS A 112 3.126 15.291 4.785 1.00 0.00 H ATOM 1771 N GLY A 113 1.534 15.072 7.523 1.00 20.91 N ATOM 1772 CA GLY A 113 0.859 14.530 8.689 1.00 19.48 C ATOM 1773 C GLY A 113 1.480 15.001 9.990 1.00 22.12 C ATOM 1774 O GLY A 113 2.699 15.119 10.093 1.00 19.67 O ATOM 1775 HA3 GLY A 113 0.912 13.442 8.650 1.00 0.00 H ATOM 1776 HA2 GLY A 113 -0.185 14.843 8.666 1.00 0.00 H ATOM 1777 H GLY A 113 2.092 14.441 6.912 1.00 0.00 H ATOM 1778 N SER A 114 0.644 15.255 10.992 1.00 20.69 N ATOM 1779 CA SER A 114 1.131 15.734 12.282 1.00 25.30 C ATOM 1780 C SER A 114 0.839 14.772 13.432 1.00 24.16 C ATOM 1781 O SER A 114 0.632 15.197 14.571 1.00 25.47 O ATOM 1782 CB SER A 114 0.527 17.111 12.580 1.00 25.55 C ATOM 1783 OG SER A 114 -0.890 17.073 12.511 1.00 26.02 O ATOM 1784 HA SER A 114 2.216 15.804 12.207 1.00 0.00 H ATOM 1785 HB2 SER A 114 0.900 17.829 11.850 1.00 0.00 H ATOM 1786 HB3 SER A 114 0.827 17.423 13.581 1.00 0.00 H ATOM 1787 HG SER A 114 -1.253 17.973 12.707 1.00 0.00 H ATOM 1788 H SER A 114 -0.377 15.110 10.854 1.00 0.00 H ATOM 1789 N GLY A 115 0.834 13.478 13.129 1.00 19.43 N ATOM 1790 CA GLY A 115 0.577 12.473 14.144 1.00 21.28 C ATOM 1791 C GLY A 115 1.804 12.135 14.973 1.00 25.98 C ATOM 1792 O GLY A 115 2.806 12.852 14.939 1.00 23.71 O ATOM 1793 HA3 GLY A 115 0.229 11.564 13.653 1.00 0.00 H ATOM 1794 HA2 GLY A 115 -0.201 12.844 14.811 1.00 0.00 H ATOM 1795 H GLY A 115 1.017 13.181 12.149 1.00 0.00 H ATOM 1796 N LEU A 116 1.736 11.026 15.702 1.00 23.79 N ATOM 1797 CA LEU A 116 2.828 10.603 16.572 1.00 21.21 C ATOM 1798 C LEU A 116 4.171 10.386 15.887 1.00 22.31 C ATOM 1799 O LEU A 116 5.207 10.369 16.546 1.00 17.96 O ATOM 1800 CB LEU A 116 2.437 9.328 17.319 1.00 26.10 C ATOM 1801 CG LEU A 116 1.221 9.431 18.246 1.00 27.52 C ATOM 1802 CD1 LEU A 116 0.979 8.091 18.911 1.00 33.78 C ATOM 1803 CD2 LEU A 116 1.450 10.513 19.293 1.00 29.73 C ATOM 1804 HA LEU A 116 2.978 11.441 17.252 1.00 0.00 H ATOM 1805 HB2 LEU A 116 2.225 8.559 16.576 1.00 0.00 H ATOM 1806 HB3 LEU A 116 3.291 9.022 17.923 1.00 0.00 H ATOM 1807 HG LEU A 116 0.342 9.701 17.661 1.00 0.00 H ATOM 1808 HD21 LEU A 116 2.331 10.264 19.885 1.00 0.00 H ATOM 1809 HD22 LEU A 116 1.604 11.471 18.796 1.00 0.00 H ATOM 1810 HD23 LEU A 116 0.579 10.576 19.945 1.00 0.00 H ATOM 1811 HD11 LEU A 116 0.792 7.336 18.147 1.00 0.00 H ATOM 1812 HD12 LEU A 116 1.858 7.811 19.492 1.00 0.00 H ATOM 1813 HD13 LEU A 116 0.114 8.165 19.570 1.00 0.00 H ATOM 1814 H LEU A 116 0.877 10.441 15.651 1.00 0.00 H ATOM 1815 N TRP A 117 4.164 10.219 14.571 1.00 22.58 N ATOM 1816 CA TRP A 117 5.413 9.998 13.854 1.00 19.68 C ATOM 1817 C TRP A 117 6.105 11.288 13.430 1.00 17.18 C ATOM 1818 O TRP A 117 7.207 11.257 12.880 1.00 18.32 O ATOM 1819 CB TRP A 117 5.161 9.087 12.647 1.00 22.15 C ATOM 1820 CG TRP A 117 4.718 7.708 13.056 1.00 21.57 C ATOM 1821 CD1 TRP A 117 4.679 7.200 14.329 1.00 24.85 C ATOM 1822 CD2 TRP A 117 4.290 6.649 12.190 1.00 22.47 C ATOM 1823 NE1 TRP A 117 4.256 5.893 14.304 1.00 21.06 N ATOM 1824 CE2 TRP A 117 4.010 5.529 13.006 1.00 20.89 C ATOM 1825 CE3 TRP A 117 4.117 6.536 10.805 1.00 26.39 C ATOM 1826 CZ2 TRP A 117 3.566 4.310 12.480 1.00 26.88 C ATOM 1827 CZ3 TRP A 117 3.676 5.325 10.282 1.00 27.00 C ATOM 1828 CH2 TRP A 117 3.405 4.228 11.121 1.00 29.53 C ATOM 1829 HA TRP A 117 6.099 9.510 14.547 1.00 0.00 H ATOM 1830 HB2 TRP A 117 4.386 9.535 12.025 1.00 0.00 H ATOM 1831 HB3 TRP A 117 6.083 9.003 12.072 1.00 0.00 H ATOM 1832 HE1 TRP A 117 4.141 5.279 15.136 1.00 0.00 H ATOM 1833 HD1 TRP A 117 4.945 7.753 15.230 1.00 0.00 H ATOM 1834 HZ2 TRP A 117 3.356 3.458 13.127 1.00 0.00 H ATOM 1835 HH2 TRP A 117 3.060 3.293 10.681 1.00 0.00 H ATOM 1836 HZ3 TRP A 117 3.538 5.224 9.205 1.00 0.00 H ATOM 1837 HE3 TRP A 117 4.324 7.381 10.149 1.00 0.00 H ATOM 1838 H TRP A 117 3.265 10.246 14.050 1.00 0.00 H ATOM 1839 N SER A 118 5.456 12.421 13.688 1.00 16.45 N ATOM 1840 CA SER A 118 6.025 13.727 13.356 1.00 17.99 C ATOM 1841 C SER A 118 6.439 14.456 14.629 1.00 16.49 C ATOM 1842 O SER A 118 6.821 15.631 14.594 1.00 18.73 O ATOM 1843 CB SER A 118 5.006 14.577 12.597 1.00 18.61 C ATOM 1844 OG SER A 118 4.813 14.081 11.284 1.00 21.93 O ATOM 1845 HA SER A 118 6.900 13.569 12.725 1.00 0.00 H ATOM 1846 HB2 SER A 118 5.368 15.604 12.542 1.00 0.00 H ATOM 1847 HB3 SER A 118 4.056 14.556 13.130 1.00 0.00 H ATOM 1848 HG SER A 118 4.151 14.646 10.813 1.00 0.00 H ATOM 1849 H SER A 118 4.519 12.377 14.138 1.00 0.00 H ATOM 1850 N ARG A 119 6.367 13.751 15.754 1.00 19.21 N ATOM 1851 CA ARG A 119 6.711 14.335 17.047 1.00 23.11 C ATOM 1852 C ARG A 119 8.008 13.745 17.580 1.00 17.57 C ATOM 1853 O ARG A 119 8.208 12.523 17.569 1.00 18.44 O ATOM 1854 CB ARG A 119 5.555 14.118 18.027 1.00 21.67 C ATOM 1855 CG ARG A 119 4.285 14.829 17.570 1.00 28.57 C ATOM 1856 CD ARG A 119 3.034 14.284 18.233 1.00 32.72 C ATOM 1857 NE ARG A 119 1.830 14.818 17.598 1.00 38.72 N ATOM 1858 CZ ARG A 119 1.398 16.068 17.738 1.00 42.81 C ATOM 1859 NH1 ARG A 119 2.067 16.924 18.499 1.00 40.97 N ATOM 1860 NH2 ARG A 119 0.298 16.464 17.109 1.00 43.95 N ATOM 1861 HA ARG A 119 6.870 15.407 16.926 1.00 0.00 H ATOM 1862 HB2 ARG A 119 5.353 13.050 18.104 1.00 0.00 H ATOM 1863 HB3 ARG A 119 5.844 14.504 19.005 1.00 0.00 H ATOM 1864 HG2 ARG A 119 4.373 15.889 17.810 1.00 0.00 H ATOM 1865 HG3 ARG A 119 4.188 14.709 16.491 1.00 0.00 H ATOM 1866 HD2 ARG A 119 3.037 14.565 19.286 1.00 0.00 H ATOM 1867 HD3 ARG A 119 3.030 13.197 18.149 1.00 0.00 H ATOM 1868 HE ARG A 119 1.274 14.177 16.996 1.00 0.00 H ATOM 1869 HH12 ARG A 119 1.726 17.901 18.606 1.00 0.00 H ATOM 1870 HH11 ARG A 119 2.932 16.618 18.988 1.00 0.00 H ATOM 1871 HH22 ARG A 119 -0.040 17.441 17.218 1.00 0.00 H ATOM 1872 HH21 ARG A 119 -0.226 15.797 16.507 1.00 0.00 H ATOM 1873 H ARG A 119 6.058 12.759 15.712 1.00 0.00 H ATOM 1874 N TRP A 120 8.888 14.624 18.045 1.00 17.55 N ATOM 1875 CA TRP A 120 10.198 14.214 18.531 1.00 16.78 C ATOM 1876 C TRP A 120 10.630 14.920 19.813 1.00 15.52 C ATOM 1877 O TRP A 120 10.360 16.109 20.006 1.00 19.40 O ATOM 1878 CB TRP A 120 11.235 14.464 17.431 1.00 17.40 C ATOM 1879 CG TRP A 120 10.881 13.779 16.137 1.00 17.02 C ATOM 1880 CD1 TRP A 120 9.919 14.160 15.240 1.00 19.87 C ATOM 1881 CD2 TRP A 120 11.422 12.545 15.644 1.00 15.02 C ATOM 1882 NE1 TRP A 120 9.823 13.233 14.224 1.00 17.91 N ATOM 1883 CE2 TRP A 120 10.734 12.235 14.446 1.00 15.94 C ATOM 1884 CE3 TRP A 120 12.418 11.672 16.099 1.00 14.43 C ATOM 1885 CZ2 TRP A 120 11.014 11.082 13.695 1.00 14.98 C ATOM 1886 CZ3 TRP A 120 12.698 10.525 15.351 1.00 17.58 C ATOM 1887 CH2 TRP A 120 11.997 10.242 14.161 1.00 13.99 C ATOM 1888 HA TRP A 120 10.128 13.155 18.778 1.00 0.00 H ATOM 1889 HB2 TRP A 120 11.303 15.537 17.252 1.00 0.00 H ATOM 1890 HB3 TRP A 120 12.202 14.092 17.771 1.00 0.00 H ATOM 1891 HE1 TRP A 120 9.166 13.283 13.420 1.00 0.00 H ATOM 1892 HD1 TRP A 120 9.316 15.065 15.318 1.00 0.00 H ATOM 1893 HZ2 TRP A 120 10.471 10.861 12.776 1.00 0.00 H ATOM 1894 HH2 TRP A 120 12.239 9.340 13.600 1.00 0.00 H ATOM 1895 HZ3 TRP A 120 13.471 9.838 15.694 1.00 0.00 H ATOM 1896 HE3 TRP A 120 12.964 11.883 17.018 1.00 0.00 H ATOM 1897 H TRP A 120 8.635 15.633 18.063 1.00 0.00 H ATOM 1898 N LYS A 121 11.321 14.180 20.675 1.00 17.02 N ATOM 1899 CA LYS A 121 11.804 14.714 21.946 1.00 17.27 C ATOM 1900 C LYS A 121 13.310 14.504 22.100 1.00 20.91 C ATOM 1901 O LYS A 121 13.917 13.721 21.370 1.00 16.56 O ATOM 1902 CB LYS A 121 11.094 14.022 23.113 1.00 23.14 C ATOM 1903 CG LYS A 121 9.578 14.169 23.114 1.00 24.82 C ATOM 1904 CD LYS A 121 8.953 13.507 24.336 1.00 35.07 C ATOM 1905 CE LYS A 121 9.200 12.007 24.359 1.00 38.03 C ATOM 1906 NZ LYS A 121 8.571 11.365 25.547 1.00 50.53 N ATOM 1907 HA LYS A 121 11.590 15.783 21.954 1.00 0.00 H ATOM 1908 HB2 LYS A 121 11.332 12.959 23.073 1.00 0.00 H ATOM 1909 HB3 LYS A 121 11.477 14.444 24.042 1.00 0.00 H ATOM 1910 HG2 LYS A 121 9.325 15.229 23.117 1.00 0.00 H ATOM 1911 HG3 LYS A 121 9.176 13.703 22.214 1.00 0.00 H ATOM 1912 HD2 LYS A 121 9.383 13.949 25.235 1.00 0.00 H ATOM 1913 HD3 LYS A 121 7.878 13.687 24.323 1.00 0.00 H ATOM 1914 HE2 LYS A 121 10.274 11.826 24.386 1.00 0.00 H ATOM 1915 HE3 LYS A 121 8.781 11.565 23.455 1.00 0.00 H ATOM 1916 HZ1 LYS A 121 8.970 11.777 26.414 1.00 0.00 H ATOM 1917 HZ2 LYS A 121 7.544 11.529 25.525 1.00 0.00 H ATOM 1918 HZ3 LYS A 121 8.761 10.343 25.528 1.00 0.00 H ATOM 1919 H LYS A 121 11.524 13.188 20.436 1.00 0.00 H ATOM 1920 N VAL A 122 13.910 15.227 23.043 1.00 17.40 N ATOM 1921 CA VAL A 122 15.331 15.073 23.325 1.00 19.35 C ATOM 1922 C VAL A 122 15.408 13.776 24.126 1.00 19.75 C ATOM 1923 O VAL A 122 14.776 13.647 25.176 1.00 20.54 O ATOM 1924 CB VAL A 122 15.872 16.246 24.178 1.00 18.62 C ATOM 1925 CG1 VAL A 122 17.260 15.916 24.711 1.00 17.75 C ATOM 1926 CG2 VAL A 122 15.934 17.514 23.338 1.00 14.93 C ATOM 1927 HA VAL A 122 15.926 15.059 22.412 1.00 0.00 H ATOM 1928 HB VAL A 122 15.198 16.404 25.020 1.00 0.00 H ATOM 1929 HG11 VAL A 122 17.207 15.020 25.330 1.00 0.00 H ATOM 1930 HG12 VAL A 122 17.937 15.742 23.875 1.00 0.00 H ATOM 1931 HG13 VAL A 122 17.626 16.751 25.309 1.00 0.00 H ATOM 1932 HG21 VAL A 122 16.596 17.353 22.487 1.00 0.00 H ATOM 1933 HG22 VAL A 122 14.934 17.761 22.980 1.00 0.00 H ATOM 1934 HG23 VAL A 122 16.316 18.333 23.947 1.00 0.00 H ATOM 1935 H VAL A 122 13.354 15.915 23.589 1.00 0.00 H ATOM 1936 N TYR A 123 16.161 12.807 23.621 1.00 18.56 N ATOM 1937 CA TYR A 123 16.282 11.516 24.292 1.00 18.17 C ATOM 1938 C TYR A 123 16.661 11.659 25.760 1.00 20.34 C ATOM 1939 O TYR A 123 17.606 12.364 26.101 1.00 21.44 O ATOM 1940 CB TYR A 123 17.319 10.647 23.586 1.00 15.86 C ATOM 1941 CG TYR A 123 17.289 9.198 24.017 1.00 17.16 C ATOM 1942 CD1 TYR A 123 16.099 8.469 23.986 1.00 19.25 C ATOM 1943 CD2 TYR A 123 18.453 8.542 24.409 1.00 20.50 C ATOM 1944 CE1 TYR A 123 16.069 7.121 24.331 1.00 20.66 C ATOM 1945 CE2 TYR A 123 18.435 7.187 24.756 1.00 23.04 C ATOM 1946 CZ TYR A 123 17.239 6.487 24.712 1.00 20.63 C ATOM 1947 OH TYR A 123 17.210 5.149 25.042 1.00 22.09 O ATOM 1948 HA TYR A 123 15.302 11.042 24.244 1.00 0.00 H ATOM 1949 HB3 TYR A 123 18.309 11.050 23.799 1.00 0.00 H ATOM 1950 HB2 TYR A 123 17.133 10.692 22.513 1.00 0.00 H ATOM 1951 HD2 TYR A 123 19.393 9.093 24.446 1.00 0.00 H ATOM 1952 HE2 TYR A 123 19.354 6.685 25.059 1.00 0.00 H ATOM 1953 HE1 TYR A 123 15.130 6.568 24.301 1.00 0.00 H ATOM 1954 HD1 TYR A 123 15.176 8.965 23.686 1.00 0.00 H ATOM 1955 HH TYR A 123 17.804 4.646 24.430 1.00 0.00 H ATOM 1956 H TYR A 123 16.674 12.970 22.731 1.00 0.00 H ATOM 1957 N GLY A 124 15.917 10.976 26.624 1.00 19.85 N ATOM 1958 CA GLY A 124 16.183 11.045 28.050 1.00 23.02 C ATOM 1959 C GLY A 124 15.354 12.107 28.751 1.00 27.84 C ATOM 1960 O GLY A 124 15.508 12.328 29.955 1.00 27.95 O ATOM 1961 HA3 GLY A 124 17.239 11.273 28.197 1.00 0.00 H ATOM 1962 HA2 GLY A 124 15.956 10.076 28.494 1.00 0.00 H ATOM 1963 H GLY A 124 15.135 10.385 26.275 1.00 0.00 H ATOM 1964 N THR A 125 14.477 12.768 27.999 1.00 23.89 N ATOM 1965 CA THR A 125 13.626 13.819 28.550 1.00 26.00 C ATOM 1966 C THR A 125 12.228 13.750 27.955 1.00 26.39 C ATOM 1967 O THR A 125 11.944 12.924 27.089 1.00 26.27 O ATOM 1968 CB THR A 125 14.156 15.233 28.223 1.00 25.06 C ATOM 1969 OG1 THR A 125 13.805 15.566 26.871 1.00 22.82 O ATOM 1970 CG2 THR A 125 15.673 15.302 28.384 1.00 27.65 C ATOM 1971 HA THR A 125 13.619 13.654 29.627 1.00 0.00 H ATOM 1972 HB THR A 125 13.705 15.942 28.917 1.00 0.00 H ATOM 1973 HG1 THR A 125 14.211 14.907 26.254 1.00 0.00 H ATOM 1974 HG23 THR A 125 15.940 15.049 29.410 1.00 0.00 H ATOM 1975 HG21 THR A 125 16.142 14.594 27.700 1.00 0.00 H ATOM 1976 HG22 THR A 125 16.016 16.311 28.156 1.00 0.00 H ATOM 1977 H THR A 125 14.395 12.529 26.990 1.00 0.00 H ATOM 1978 N THR A 126 11.363 14.645 28.421 1.00 24.30 N ATOM 1979 CA THR A 126 9.998 14.733 27.923 1.00 25.56 C ATOM 1980 C THR A 126 9.842 16.085 27.221 1.00 26.60 C ATOM 1981 O THR A 126 8.728 16.575 27.031 1.00 29.26 O ATOM 1982 CB THR A 126 8.968 14.645 29.079 1.00 31.71 C ATOM 1983 OG1 THR A 126 9.236 15.673 30.041 1.00 27.89 O ATOM 1984 CG2 THR A 126 9.045 13.285 29.767 1.00 30.45 C ATOM 1985 HA THR A 126 9.812 13.903 27.241 1.00 0.00 H ATOM 1986 HB THR A 126 7.969 14.775 28.662 1.00 0.00 H ATOM 1987 HG1 THR A 126 9.166 16.559 29.604 1.00 0.00 H ATOM 1988 HG23 THR A 126 8.842 12.499 29.039 1.00 0.00 H ATOM 1989 HG21 THR A 126 10.042 13.146 30.184 1.00 0.00 H ATOM 1990 HG22 THR A 126 8.306 13.241 30.567 1.00 0.00 H ATOM 1991 H THR A 126 11.671 15.303 29.165 1.00 0.00 H ATOM 1992 N ASP A 127 10.968 16.671 26.818 1.00 21.51 N ATOM 1993 CA ASP A 127 10.974 17.979 26.169 1.00 21.33 C ATOM 1994 C ASP A 127 11.146 17.916 24.653 1.00 20.21 C ATOM 1995 O ASP A 127 11.672 16.933 24.127 1.00 18.39 O ATOM 1996 CB ASP A 127 12.104 18.841 26.744 1.00 19.33 C ATOM 1997 CG ASP A 127 12.090 18.896 28.261 1.00 29.27 C ATOM 1998 OD1 ASP A 127 10.990 18.940 28.846 1.00 24.36 O ATOM 1999 OD2 ASP A 127 13.182 18.911 28.866 1.00 31.24 O ATOM 2000 HA ASP A 127 9.995 18.413 26.370 1.00 0.00 H ATOM 2001 HB2 ASP A 127 13.058 18.426 26.419 1.00 0.00 H ATOM 2002 HB3 ASP A 127 12.000 19.855 26.358 1.00 0.00 H ATOM 2003 H ASP A 127 11.873 16.181 26.971 1.00 0.00 H ATOM 2004 N ASP A 128 10.714 18.967 23.955 1.00 18.59 N ATOM 2005 CA ASP A 128 10.870 19.011 22.501 1.00 18.16 C ATOM 2006 C ASP A 128 12.334 19.296 22.175 1.00 16.70 C ATOM 2007 O ASP A 128 13.129 19.589 23.070 1.00 18.44 O ATOM 2008 CB ASP A 128 9.961 20.073 21.858 1.00 21.49 C ATOM 2009 CG ASP A 128 10.164 21.465 22.431 1.00 28.36 C ATOM 2010 OD1 ASP A 128 11.315 21.855 22.719 1.00 18.93 O ATOM 2011 OD2 ASP A 128 9.156 22.187 22.573 1.00 29.84 O ATOM 2012 HA ASP A 128 10.572 18.047 22.088 1.00 0.00 H ATOM 2013 HB2 ASP A 128 10.169 20.105 20.789 1.00 0.00 H ATOM 2014 HB3 ASP A 128 8.923 19.782 22.016 1.00 0.00 H ATOM 2015 H ASP A 128 10.262 19.763 24.449 1.00 0.00 H ATOM 2016 N LEU A 129 12.692 19.219 20.896 1.00 14.49 N ATOM 2017 CA LEU A 129 14.078 19.427 20.491 1.00 13.09 C ATOM 2018 C LEU A 129 14.649 20.809 20.789 1.00 16.47 C ATOM 2019 O LEU A 129 15.848 20.950 20.993 1.00 16.83 O ATOM 2020 CB LEU A 129 14.240 19.134 18.998 1.00 16.71 C ATOM 2021 CG LEU A 129 13.785 17.755 18.519 1.00 18.67 C ATOM 2022 CD1 LEU A 129 14.274 17.540 17.086 1.00 16.05 C ATOM 2023 CD2 LEU A 129 14.350 16.674 19.434 1.00 20.87 C ATOM 2024 HA LEU A 129 14.650 18.730 21.103 1.00 0.00 H ATOM 2025 HB2 LEU A 129 13.666 19.881 18.450 1.00 0.00 H ATOM 2026 HB3 LEU A 129 15.297 19.238 18.753 1.00 0.00 H ATOM 2027 HG LEU A 129 12.697 17.697 18.545 1.00 0.00 H ATOM 2028 HD21 LEU A 129 15.439 16.719 19.418 1.00 0.00 H ATOM 2029 HD22 LEU A 129 13.993 16.837 20.451 1.00 0.00 H ATOM 2030 HD23 LEU A 129 14.020 15.695 19.085 1.00 0.00 H ATOM 2031 HD11 LEU A 129 13.854 18.311 16.441 1.00 0.00 H ATOM 2032 HD12 LEU A 129 15.362 17.598 17.062 1.00 0.00 H ATOM 2033 HD13 LEU A 129 13.953 16.558 16.737 1.00 0.00 H ATOM 2034 H LEU A 129 11.973 19.007 20.175 1.00 0.00 H ATOM 2035 N CYS A 130 13.792 21.822 20.826 1.00 17.19 N ATOM 2036 CA CYS A 130 14.247 23.182 21.068 1.00 19.58 C ATOM 2037 C CYS A 130 14.719 23.435 22.499 1.00 19.80 C ATOM 2038 O CYS A 130 15.293 24.484 22.793 1.00 22.01 O ATOM 2039 CB CYS A 130 13.137 24.158 20.656 1.00 20.45 C ATOM 2040 SG CYS A 130 12.781 23.983 18.872 1.00 21.43 S ATOM 2041 HA CYS A 130 15.134 23.345 20.456 1.00 0.00 H ATOM 2042 HB2 CYS A 130 13.459 25.179 20.862 1.00 0.00 H ATOM 2043 HB3 CYS A 130 12.235 23.941 21.227 1.00 0.00 H ATOM 2044 H CYS A 130 12.779 21.640 20.680 1.00 0.00 H ATOM 2045 N SER A 131 14.493 22.464 23.378 1.00 19.93 N ATOM 2046 CA SER A 131 14.909 22.577 24.772 1.00 20.02 C ATOM 2047 C SER A 131 16.428 22.485 24.869 1.00 20.46 C ATOM 2048 O SER A 131 17.020 22.804 25.903 1.00 21.46 O ATOM 2049 CB SER A 131 14.277 21.463 25.613 1.00 18.78 C ATOM 2050 OG SER A 131 14.781 20.188 25.243 1.00 20.97 O ATOM 2051 HA SER A 131 14.576 23.542 25.155 1.00 0.00 H ATOM 2052 HB2 SER A 131 13.197 21.475 25.465 1.00 0.00 H ATOM 2053 HB3 SER A 131 14.500 21.642 26.665 1.00 0.00 H ATOM 2054 HG SER A 131 14.577 20.018 24.289 1.00 0.00 H ATOM 2055 H SER A 131 14.006 21.600 23.064 1.00 0.00 H ATOM 2056 N ARG A 132 17.053 22.033 23.785 1.00 19.86 N ATOM 2057 CA ARG A 132 18.505 21.902 23.721 1.00 19.10 C ATOM 2058 C ARG A 132 19.071 22.971 22.803 1.00 19.44 C ATOM 2059 O ARG A 132 20.271 22.991 22.523 1.00 20.73 O ATOM 2060 CB ARG A 132 18.893 20.527 23.181 1.00 25.40 C ATOM 2061 CG ARG A 132 18.664 19.380 24.148 1.00 30.93 C ATOM 2062 CD ARG A 132 19.711 19.362 25.247 1.00 42.48 C ATOM 2063 NE ARG A 132 19.644 18.127 26.021 1.00 50.51 N ATOM 2064 CZ ARG A 132 20.457 17.826 27.026 1.00 51.81 C ATOM 2065 NH1 ARG A 132 21.410 18.675 27.388 1.00 56.60 N ATOM 2066 NH2 ARG A 132 20.319 16.672 27.666 1.00 53.79 N ATOM 2067 HA ARG A 132 18.910 22.019 24.726 1.00 0.00 H ATOM 2068 HB2 ARG A 132 18.306 20.337 22.282 1.00 0.00 H ATOM 2069 HB3 ARG A 132 19.952 20.549 22.924 1.00 0.00 H ATOM 2070 HG2 ARG A 132 17.678 19.488 24.600 1.00 0.00 H ATOM 2071 HG3 ARG A 132 18.710 18.439 23.599 1.00 0.00 H ATOM 2072 HD2 ARG A 132 19.542 20.208 25.913 1.00 0.00 H ATOM 2073 HD3 ARG A 132 20.700 19.447 24.797 1.00 0.00 H ATOM 2074 HE ARG A 132 18.909 17.436 25.768 1.00 0.00 H ATOM 2075 HH12 ARG A 132 22.046 18.438 28.176 1.00 0.00 H ATOM 2076 HH11 ARG A 132 21.521 19.578 26.884 1.00 0.00 H ATOM 2077 HH22 ARG A 132 20.955 16.435 28.454 1.00 0.00 H ATOM 2078 HH21 ARG A 132 19.574 16.005 27.380 1.00 0.00 H ATOM 2079 H ARG A 132 16.487 21.764 22.955 1.00 0.00 H ATOM 2080 N GLY A 133 18.201 23.858 22.336 1.00 17.79 N ATOM 2081 CA GLY A 133 18.633 24.916 21.444 1.00 22.00 C ATOM 2082 C GLY A 133 18.883 26.226 22.159 1.00 23.62 C ATOM 2083 O GLY A 133 18.988 26.258 23.383 1.00 21.39 O ATOM 2084 HA3 GLY A 133 17.861 25.073 20.691 1.00 0.00 H ATOM 2085 HA2 GLY A 133 19.557 24.604 20.956 1.00 0.00 H ATOM 2086 H GLY A 133 17.201 23.793 22.612 1.00 0.00 H ATOM 2087 N TYR A 134 18.977 27.308 21.391 1.00 26.27 N ATOM 2088 CA TYR A 134 19.225 28.634 21.948 1.00 28.84 C ATOM 2089 C TYR A 134 17.954 29.470 21.932 1.00 36.61 C ATOM 2090 O TYR A 134 17.885 30.520 22.570 1.00 32.45 O ATOM 2091 CB TYR A 134 20.301 29.360 21.138 1.00 28.26 C ATOM 2092 CG TYR A 134 21.611 28.616 21.034 1.00 27.41 C ATOM 2093 CD1 TYR A 134 22.018 28.048 19.829 1.00 29.23 C ATOM 2094 CD2 TYR A 134 22.455 28.499 22.136 1.00 25.23 C ATOM 2095 CE1 TYR A 134 23.239 27.385 19.725 1.00 27.20 C ATOM 2096 CE2 TYR A 134 23.673 27.840 22.044 1.00 30.12 C ATOM 2097 CZ TYR A 134 24.061 27.287 20.837 1.00 32.41 C ATOM 2098 OH TYR A 134 25.278 26.646 20.747 1.00 34.84 O ATOM 2099 HA TYR A 134 19.562 28.505 22.977 1.00 0.00 H ATOM 2100 HB3 TYR A 134 20.492 30.323 21.611 1.00 0.00 H ATOM 2101 HB2 TYR A 134 19.919 29.521 20.130 1.00 0.00 H ATOM 2102 HD2 TYR A 134 22.153 28.933 23.089 1.00 0.00 H ATOM 2103 HE2 TYR A 134 24.320 27.759 22.918 1.00 0.00 H ATOM 2104 HE1 TYR A 134 23.546 26.946 18.776 1.00 0.00 H ATOM 2105 HD1 TYR A 134 21.372 28.123 18.955 1.00 0.00 H ATOM 2106 HH TYR A 134 25.405 26.309 19.825 1.00 0.00 H ATOM 2107 H TYR A 134 18.870 27.206 20.362 1.00 0.00 H ATOM 2108 N GLU A 135 16.958 28.994 21.193 1.00 42.55 N ATOM 2109 CA GLU A 135 15.678 29.678 21.060 1.00 52.00 C ATOM 2110 C GLU A 135 14.576 28.884 21.750 1.00 53.11 C ATOM 2111 O GLU A 135 13.901 29.461 22.627 1.00 55.54 O ATOM 2112 CB GLU A 135 15.344 29.863 19.573 1.00 59.41 C ATOM 2113 CG GLU A 135 14.052 30.621 19.288 1.00 69.63 C ATOM 2114 CD GLU A 135 12.816 29.736 19.318 1.00 76.25 C ATOM 2115 OE1 GLU A 135 11.694 30.283 19.242 1.00 79.13 O ATOM 2116 OE2 GLU A 135 12.960 28.498 19.407 1.00 79.90 O ATOM 2117 HA GLU A 135 15.748 30.656 21.537 1.00 0.00 H ATOM 2118 OXT GLU A 135 14.402 27.696 21.402 1.00 53.86 O ATOM 2119 HB2 GLU A 135 16.165 30.408 19.108 1.00 0.00 H ATOM 2120 HB3 GLU A 135 15.263 28.875 19.120 1.00 0.00 H ATOM 2121 HG2 GLU A 135 13.936 31.403 20.039 1.00 0.00 H ATOM 2122 HG3 GLU A 135 14.128 31.076 18.300 1.00 0.00 H ATOM 2123 H GLU A 135 17.098 28.096 20.688 1.00 0.00 H TER 2124 GLU A 135 HETATM 2125 O HOH 1 19.566 19.808 17.478 1.00 16.73 O HETATM 2126 O HOH 2 25.167 12.577 13.873 1.00 18.60 O HETATM 2127 O HOH 3 10.462 7.515 6.835 1.00 22.11 O HETATM 2128 O HOH 4 7.670 8.405 6.917 1.00 24.11 O HETATM 2129 O HOH 5 5.702 9.586 19.105 1.00 20.12 O HETATM 2130 O HOH 6 19.769 22.360 10.055 1.00 18.14 O HETATM 2131 O HOH 7 15.772 2.629 21.200 1.00 19.51 O HETATM 2132 O HOH 8 15.083 3.942 9.562 1.00 18.98 O HETATM 2133 O HOH 9 18.610 6.553 3.622 1.00 19.03 O HETATM 2134 O HOH 10 10.550 18.588 19.017 1.00 19.59 O HETATM 2135 O HOH 11 8.071 11.384 19.937 1.00 21.88 O HETATM 2136 O HOH 12 8.527 20.730 19.010 1.00 27.43 O HETATM 2137 O HOH 13 9.298 6.495 -0.568 1.00 32.62 O HETATM 2138 O HOH 14 22.001 21.330 20.930 1.00 22.25 O HETATM 2139 O HOH 15 8.427 8.432 14.000 1.00 21.92 O HETATM 2140 O HOH 16 12.441 27.579 6.142 1.00 28.88 O HETATM 2141 O HOH 17 18.795 -0.445 14.872 1.00 35.36 O HETATM 2142 O HOH 18 23.810 3.632 15.602 1.00 27.95 O HETATM 2143 O HOH 19 8.723 14.971 -2.698 1.00 33.29 O HETATM 2144 O HOH 20 9.074 4.694 7.398 1.00 28.50 O HETATM 2145 O HOH 21 8.899 0.887 10.506 1.00 42.52 O HETATM 2146 O HOH 22 -0.925 9.569 15.184 1.00 31.00 O HETATM 2147 O HOH 23 28.500 5.979 15.375 1.00 32.57 O HETATM 2148 O HOH 24 20.221 0.977 6.632 1.00 32.39 O HETATM 2149 O HOH 25 28.843 22.204 7.569 1.00 25.27 O HETATM 2150 O HOH 26 24.659 11.351 24.113 1.00 54.03 O HETATM 2151 O HOH 27 4.446 19.351 -1.478 1.00 41.74 O HETATM 2152 O HOH 28 13.996 14.155 -1.694 1.00 28.65 O HETATM 2153 O HOH 29 12.452 8.630 -1.672 1.00 39.50 O HETATM 2154 O HOH 30 19.873 13.282 24.411 1.00 19.29 O HETATM 2155 O HOH 31 19.845 28.058 7.668 1.00 29.59 O HETATM 2156 O HOH 32 24.609 6.293 2.333 1.00 22.78 O HETATM 2157 O HOH 33 6.318 2.536 11.197 1.00 25.17 O HETATM 2158 O HOH 34 6.762 13.189 21.876 1.00 27.79 O HETATM 2159 O HOH 35 11.456 22.302 28.280 1.00 22.96 O HETATM 2160 O HOH 36 15.713 26.008 18.647 1.00 21.86 O HETATM 2161 O HOH 37 0.290 19.928 7.151 1.00 29.19 O HETATM 2162 O HOH 38 27.082 6.596 10.463 1.00 31.45 O HETATM 2163 O HOH 39 11.271 26.960 17.183 1.00 30.33 O HETATM 2164 O HOH 40 21.493 10.812 24.978 1.00 27.12 O HETATM 2165 O HOH 41 19.447 17.342 -2.606 1.00 41.90 O HETATM 2166 O HOH 42 9.271 3.739 -1.864 1.00 47.37 O HETATM 2167 O HOH 43 25.701 27.625 9.639 1.00 30.82 O HETATM 2168 O HOH 44 -0.551 20.610 10.318 1.00 43.55 O HETATM 2169 O HOH 45 18.004 15.373 1.260 1.00 23.97 O HETATM 2170 O HOH 46 18.273 26.934 18.719 1.00 27.70 O HETATM 2171 O HOH 47 17.805 31.773 12.160 1.00 45.27 O HETATM 2172 O HOH 48 28.798 11.201 3.734 1.00 23.83 O HETATM 2173 O HOH 49 9.498 21.030 25.323 1.00 26.55 O HETATM 2174 O HOH 50 22.784 4.875 3.537 1.00 29.53 O HETATM 2175 O HOH 51 20.628 24.107 2.527 1.00 26.54 O HETATM 2176 O HOH 52 12.651 11.785 -2.211 1.00 43.00 O HETATM 2177 O HOH 53 14.007 3.118 2.576 1.00 25.76 O HETATM 2178 O HOH 54 9.187 2.568 8.073 1.00 44.49 O HETATM 2179 O HOH 55 -3.549 14.609 -0.694 1.00 41.73 O HETATM 2180 O HOH 56 10.804 24.490 -1.858 1.00 35.40 O HETATM 2181 O HOH 57 13.412 9.892 26.046 1.00 32.47 O HETATM 2182 O HOH 58 11.048 23.727 30.565 1.00 37.22 O HETATM 2183 O HOH 59 12.519 15.897 31.208 1.00 34.64 O HETATM 2184 O HOH 60 7.095 21.321 21.120 1.00 34.30 O HETATM 2185 O HOH 61 15.263 3.547 23.533 1.00 30.57 O HETATM 2186 O HOH 62 22.302 22.269 24.703 1.00 28.08 O HETATM 2187 O HOH 63 26.878 24.927 25.318 1.00 34.19 O HETATM 2188 O HOH 64 19.623 3.881 24.911 1.00 24.67 O HETATM 2189 O HOH 65 -2.185 14.295 10.516 1.00 35.99 O HETATM 2190 O HOH 66 18.035 1.314 22.845 1.00 33.58 O HETATM 2191 O HOH 67 25.353 17.083 1.262 1.00 30.50 O HETATM 2192 O HOH 68 24.046 0.373 18.811 1.00 34.70 O HETATM 2193 O HOH 69 1.275 15.882 -0.990 1.00 48.13 O HETATM 2194 O HOH 70 -1.020 9.993 7.542 1.00 36.10 O HETATM 2195 O HOH 71 16.253 9.343 0.881 1.00 41.83 O HETATM 2196 O HOH 72 19.464 19.719 -2.811 1.00 44.80 O HETATM 2197 O HOH 73 30.392 5.918 17.587 1.00 38.42 O HETATM 2198 O HOH 74 13.508 1.795 9.570 1.00 43.12 O HETATM 2199 O HOH 75 18.992 21.760 2.273 1.00 39.16 O HETATM 2200 O HOH 76 29.668 7.611 5.921 1.00 44.28 O HETATM 2201 O HOH 77 31.147 15.192 6.677 1.00 46.51 O HETATM 2202 O HOH 78 -1.750 12.076 9.629 1.00 37.60 O HETATM 2203 O HOH 79 1.357 8.201 3.299 1.00 55.05 O HETATM 2204 O HOH 80 10.660 1.144 12.483 1.00 37.20 O HETATM 2205 O HOH 81 31.893 19.639 7.220 1.00 46.07 O HETATM 2206 O HOH 82 -1.754 7.665 16.458 1.00 43.65 O HETATM 2207 O HOH 83 17.154 -1.923 14.940 1.00 77.09 O HETATM 2208 O HOH 84 20.941 31.997 15.105 1.00 48.08 O HETATM 2209 O HOH 85 8.409 18.222 29.381 1.00 44.03 O HETATM 2210 O HOH 86 21.808 1.240 17.692 1.00 26.75 O HETATM 2211 O HOH 87 30.799 22.065 5.791 1.00 41.56 O HETATM 2212 O HOH 88 11.496 1.001 7.234 1.00 46.58 O HETATM 2213 O HOH 89 18.025 21.011 27.813 1.00 40.47 O HETATM 2214 O HOH 90 1.806 23.852 10.227 1.00 65.05 O HETATM 2215 O HOH 91 26.488 3.966 15.095 1.00 47.19 O HETATM 2216 O HOH 92 27.590 5.444 8.246 1.00 39.95 O HETATM 2217 O HOH 93 4.016 9.394 21.267 1.00 40.48 O HETATM 2218 O HOH 94 12.851 -1.139 16.522 1.00 43.22 O HETATM 2219 O HOH 95 16.091 13.736 -2.274 1.00 53.89 O HETATM 2220 O HOH 96 7.179 -0.234 8.082 1.00 48.94 O HETATM 2221 O HOH 97 25.038 24.024 2.186 1.00 40.76 O HETATM 2222 O HOH 98 30.520 4.326 27.867 1.00 31.18 O HETATM 2223 O HOH 99 21.373 14.831 25.535 1.00 36.29 O HETATM 2224 O HOH 100 25.296 29.023 11.848 1.00 58.45 O HETATM 2225 O HOH 101 -1.937 7.129 0.799 1.00 46.98 O HETATM 2226 O HOH 102 3.152 6.257 21.676 1.00 43.66 O HETATM 2227 O HOH 103 5.866 29.556 11.492 1.00 65.76 O HETATM 2228 O HOH 104 3.715 0.491 3.242 1.00 48.97 O HETATM 2229 O HOH 105 18.617 10.777 0.022 1.00 46.23 O HETATM 2230 O HOH 106 3.754 13.870 22.374 1.00 58.95 O HETATM 2231 O HOH 107 13.512 -2.040 8.405 1.00 55.57 O HETATM 2232 O HOH 108 16.025 19.055 27.492 1.00 34.62 O HETATM 2233 O HOH 109 11.781 2.714 0.609 1.00 40.51 O HETATM 2234 O HOH 110 6.977 23.534 10.909 1.00 52.46 O HETATM 2235 O HOH 111 22.995 1.443 14.996 1.00 50.94 O HETATM 2236 O HOH 112 7.802 4.718 -0.481 1.00 49.23 O HETATM 2237 O HOH 113 18.925 13.147 28.142 1.00 34.66 O HETATM 2238 O HOH 114 29.692 9.178 3.138 1.00 55.06 O HETATM 2239 O HOH 115 2.082 1.609 4.207 1.00 64.34 O HETATM 2240 O HOH 116 19.664 22.439 -1.315 1.00 57.40 O HETATM 2241 O HOH 117 3.830 11.472 21.987 1.00 68.87 O HETATM 2242 O HOH 118 26.272 25.995 1.196 1.00 46.67 O HETATM 2243 O HOH 119 -1.618 9.835 17.270 1.00 54.41 O HETATM 2244 O HOH 120 30.849 20.263 3.068 1.00 44.32 O HETATM 2245 O HOH 121 18.016 15.520 -3.727 1.00 35.70 O HETATM 2246 O HOH 122 4.899 2.538 15.856 1.00 60.48 O HETATM 2247 O HOH 123 -2.922 10.983 15.182 1.00 46.12 O HETATM 2248 O HOH 124 12.643 25.276 -3.459 1.00 62.42 O HETATM 2249 O HOH 125 29.172 25.651 6.515 1.00 56.35 O HETATM 2250 O HOH 126 11.467 18.995 31.607 1.00 51.53 O HETATM 2251 O HOH 127 22.411 24.392 0.884 1.00 48.29 O HETATM 2252 O HOH 128 9.418 27.058 -1.263 1.00 66.65 O HETATM 2253 O HOH 129 6.897 25.052 20.472 1.00 66.60 O HETATM 2254 O HOH 130 6.445 16.155 31.429 1.00 63.74 O HETATM 2255 C1 SGA A 131 0.074 6.025 10.048 1.00 0.19 C HETATM 2256 O5 SGA A 131 -0.350 5.624 11.409 1.00 -0.34 O HETATM 2257 C5 SGA A 131 0.402 6.354 12.473 1.00 0.11 C HETATM 2258 C4 SGA A 131 0.242 7.912 12.299 1.00 0.11 C HETATM 2259 C3 SGA A 131 0.764 8.297 10.882 1.00 0.14 C HETATM 2260 C2 SGA A 131 -0.070 7.519 9.837 1.00 0.14 C HETATM 2261 O2 SGA A 131 0.370 7.834 8.516 1.00 -0.38 O HETATM 2262 H8 SGA A 131 1.280 7.578 8.417 1.00 0.21 H HETATM 2263 H2 SGA A 131 -1.128 7.801 9.945 1.00 0.07 H HETATM 2264 O3 SGA A 131 0.621 9.710 10.674 1.00 -0.26 O HETATM 2265 S SGA A 131 1.807 10.630 10.944 1.00 -0.07 S HETATM 2266 O3S SGA A 131 2.187 10.572 12.345 1.00 -0.46 O HETATM 2267 O2S SGA A 131 1.422 12.014 10.643 1.00 -0.46 O HETATM 2268 O1S SGA A 131 2.960 10.256 10.091 1.00 -0.46 O HETATM 2269 H3 SGA A 131 1.825 8.021 10.790 1.00 0.07 H HETATM 2270 O4 SGA A 131 -1.139 8.248 12.438 1.00 -0.39 O HETATM 2271 H9 SGA A 131 -1.437 8.006 13.307 1.00 0.21 H HETATM 2272 H4 SGA A 131 0.828 8.440 13.066 1.00 0.06 H HETATM 2273 C6 SGA A 131 -0.107 5.808 13.832 1.00 0.07 C HETATM 2274 O6 SGA A 131 -0.046 4.384 13.835 1.00 -0.39 O HETATM 2275 H10 SGA A 131 -0.591 4.043 13.136 1.00 0.21 H HETATM 2276 H6 SGA A 131 -1.147 6.129 13.988 1.00 0.06 H HETATM 2277 H7 SGA A 131 0.523 6.202 14.643 1.00 0.06 H HETATM 2278 H5 SGA A 131 1.473 6.118 12.384 1.00 0.06 H HETATM 2279 O1 SGA A 131 -0.706 5.291 9.070 1.00 -0.34 O HETATM 2280 C4 SGA A 131 -0.355 3.885 8.774 1.00 0.12 C HETATM 2281 C3 SGA A 131 -1.848 3.405 8.960 1.00 0.12 C HETATM 2282 C2 SGA A 131 -1.838 1.857 8.869 1.00 0.12 C HETATM 2283 C1 SGA A 131 -1.311 1.415 7.475 1.00 0.18 C HETATM 2284 O5 SGA A 131 0.051 1.957 7.249 1.00 -0.34 O HETATM 2285 C5 SGA A 131 0.132 3.403 7.348 1.00 0.11 C HETATM 2286 C6 SGA A 131 1.578 3.797 7.074 1.00 0.07 C HETATM 2287 O6 SGA A 131 2.025 3.363 5.780 1.00 -0.39 O HETATM 2288 H23 SGA A 131 1.962 2.417 5.725 1.00 0.21 H HETATM 2289 H16 SGA A 131 2.220 3.341 7.841 1.00 0.06 H HETATM 2290 H17 SGA A 131 1.663 4.892 7.128 1.00 0.06 H HETATM 2291 H15 SGA A 131 -0.516 3.859 6.585 1.00 0.06 H HETATM 2292 O1 SGA A 131 -1.281 0.065 7.359 1.00 -0.37 O HETATM 2293 H22 SGA A 131 -2.153 -0.284 7.503 1.00 0.21 H HETATM 2294 H11 SGA A 131 -1.986 1.818 6.705 1.00 0.09 H HETATM 2295 N2 SGA A 131 -3.186 1.325 9.067 1.00 -0.28 N HETATM 2296 C7 SGA A 131 -3.153 0.200 8.302 1.00 0.17 C HETATM 2297 O7 SGA A 131 -2.495 -0.842 8.584 1.00 -0.40 O HETATM 2298 C8 SGA A 131 -3.969 0.246 7.046 1.00 0.03 C HETATM 2299 H18 SGA A 131 -3.870 -0.709 6.509 1.00 0.05 H HETATM 2300 H19 SGA A 131 -3.611 1.065 6.406 1.00 0.05 H HETATM 2301 H20 SGA A 131 -5.026 0.415 7.301 1.00 0.05 H HETATM 2302 H21 SGA A 131 -3.935 1.692 9.619 1.00 0.19 H HETATM 2303 H12 SGA A 131 -1.175 1.457 9.650 1.00 0.06 H HETATM 2304 O1 SGA A 131 -2.532 3.401 10.232 1.00 -0.34 O HETATM 2305 C1 SGA A 131 -3.939 3.716 10.219 1.00 0.19 C HETATM 2306 O5 SGA A 131 -4.178 5.126 9.827 1.00 -0.34 O HETATM 2307 C5 SGA A 131 -3.725 6.182 10.807 1.00 0.09 C HETATM 2308 C4 SGA A 131 -4.297 5.914 12.183 1.00 0.11 C HETATM 2309 C3 SGA A 131 -3.921 4.481 12.644 1.00 0.11 C HETATM 2310 C2 SGA A 131 -4.511 3.457 11.643 1.00 0.13 C HETATM 2311 O2 SGA A 131 -4.227 2.094 11.995 1.00 -0.38 O HETATM 2312 H32 SGA A 131 -3.287 1.956 11.989 1.00 0.21 H HETATM 2313 H25 SGA A 131 -5.603 3.591 11.622 1.00 0.07 H HETATM 2314 O3 SGA A 131 -4.470 4.228 13.934 1.00 -0.39 O HETATM 2315 H33 SGA A 131 -5.415 4.319 13.898 1.00 0.21 H HETATM 2316 H26 SGA A 131 -2.826 4.380 12.681 1.00 0.06 H HETATM 2317 O4 SGA A 131 -5.745 6.043 12.157 1.00 -0.39 O HETATM 2318 H34 SGA A 131 -6.091 5.886 13.028 1.00 0.21 H HETATM 2319 H27 SGA A 131 -3.881 6.644 12.893 1.00 0.06 H HETATM 2320 C6 SGA A 131 -4.038 7.539 10.230 1.00 -0.04 C HETATM 2321 H29 SGA A 131 -3.578 7.629 9.235 1.00 0.03 H HETATM 2322 H30 SGA A 131 -3.636 8.320 10.892 1.00 0.03 H HETATM 2323 H31 SGA A 131 -5.128 7.658 10.142 1.00 0.03 H HETATM 2324 H28 SGA A 131 -2.631 6.114 10.900 1.00 0.06 H HETATM 2325 H24 SGA A 131 -4.447 3.059 9.498 1.00 0.09 H HETATM 2326 H13 SGA A 131 -2.463 3.899 8.193 1.00 0.06 H HETATM 2327 H14 SGA A 131 0.344 3.490 9.525 1.00 0.07 H HETATM 2328 H1 SGA A 131 1.134 5.761 9.921 1.00 0.09 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 254 253 443 CONECT 443 254 442 CONECT 840 839 1090 CONECT 1090 840 1089 CONECT 1270 1269 2040 CONECT 2040 1270 2039 CONECT 2255 2256 2260 2279 2328 CONECT 2256 2255 2257 CONECT 2257 2256 2258 2273 2278 CONECT 2258 2257 2259 2270 2272 CONECT 2259 2258 2260 2264 2269 CONECT 2260 2255 2259 2261 2263 CONECT 2261 2260 2262 CONECT 2262 2261 CONECT 2263 2260 CONECT 2264 2259 2265 CONECT 2265 2264 2266 2267 2268 CONECT 2266 2265 CONECT 2267 2265 CONECT 2268 2265 CONECT 2269 2259 CONECT 2270 2258 2271 CONECT 2271 2270 CONECT 2272 2258 CONECT 2273 2257 2274 2276 2277 CONECT 2274 2273 2275 CONECT 2275 2274 CONECT 2276 2273 CONECT 2277 2273 CONECT 2278 2257 CONECT 2279 2255 2280 CONECT 2280 2279 2281 2285 2327 CONECT 2281 2280 2282 2304 2326 CONECT 2282 2281 2283 2295 2303 CONECT 2283 2282 2284 2292 2294 CONECT 2284 2283 2285 CONECT 2285 2280 2284 2286 2291 CONECT 2286 2285 2287 2289 2290 CONECT 2287 2286 2288 CONECT 2288 2287 CONECT 2289 2286 CONECT 2290 2286 CONECT 2291 2285 CONECT 2292 2283 2293 CONECT 2293 2292 CONECT 2294 2283 CONECT 2295 2282 2296 2302 CONECT 2296 2295 2297 2298 CONECT 2297 2296 CONECT 2298 2296 2299 2300 2301 CONECT 2299 2298 CONECT 2300 2298 CONECT 2301 2298 CONECT 2302 2295 CONECT 2303 2282 CONECT 2304 2281 2305 CONECT 2305 2304 2306 2310 2325 CONECT 2306 2305 2307 CONECT 2307 2306 2308 2320 2324 CONECT 2308 2307 2309 2317 2319 CONECT 2309 2308 2310 2314 2316 CONECT 2310 2305 2309 2311 2313 CONECT 2311 2310 2312 CONECT 2312 2311 CONECT 2313 2310 CONECT 2314 2309 2315 CONECT 2315 2314 CONECT 2316 2309 CONECT 2317 2308 2318 CONECT 2318 2317 CONECT 2319 2308 CONECT 2320 2307 2321 2322 2323 CONECT 2321 2320 CONECT 2322 2320 CONECT 2323 2320 CONECT 2324 2307 CONECT 2325 2305 CONECT 2326 2281 CONECT 2327 2280 CONECT 2328 2255 MASTER 0 0 0 0 0 0 0 0 2326 2 84 12 END
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Entry Information
PDB ID
1fwu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cysteine-rich domain of mannose receptor
Ligand Name
3-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.20mM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v305 pp. 481-90, 2001
Ligand Properties
Formula
C
2
0
H
3
7
NO
1
8
S
Molecular Weight
611.569
Exact Mass
611.173
No. of atoms
77
No. of bonds
79
Polar Surface Area
332.31
LOGP Value
-6.13 (
Computed with XLOGP3
)
-4.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)OS(O)(O)O)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)NC(=O)C
InChI String
InChI=1S/C20H37NO18S/c1-5-10(25)12(27)13(28)19(34-5)38-16-9(21-6(2)24)18(30)35-8(4-23)15(16)37-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-33H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18+,19-,20-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q61830
Entrez Gene ID
NCBI Entrez Gene ID:
17533
ASD
Information of known allosteric effects of PDB entries
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