Browse entries in the PDBbind-CN Database
HEADER 4LXD_COMPLEX COMPND 4LXD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 28 ARG THR GLY TYR ASP ASN ARG GLU ILE VAL MET LYS TYR SEQRES 2 A 28 ILE HIS TYR LYS LEU SER GLN ARG GLY TYR GLU TRP ASP SEQRES 3 A 28 ALA GLY SEQRES 1 A 115 SER GLU VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP SEQRES 2 A 115 ASP PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SEQRES 3 A 115 SER SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY SEQRES 4 A 115 ARG PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY SEQRES 5 A 115 VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY SEQRES 6 A 115 GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER SEQRES 7 A 115 PRO LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR SEQRES 8 A 115 LEU ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY SEQRES 9 A 115 GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY PRO HET UNN A 369 87 ATOM 1 N ARG A 4 -1.800 22.105 -0.106 1.00 38.30 N ATOM 2 CA ARG A 4 -2.379 22.418 1.199 1.00 37.04 C ATOM 3 C ARG A 4 -1.941 23.760 1.781 1.00 37.59 C ATOM 4 O ARG A 4 -2.803 24.526 2.215 1.00 36.73 O ATOM 5 CB ARG A 4 -2.190 21.275 2.221 1.00 40.36 C ATOM 6 CG ARG A 4 -0.752 20.791 2.415 1.00 57.81 C ATOM 7 CD ARG A 4 -0.610 19.868 3.612 1.00 73.62 C ATOM 8 NE ARG A 4 0.798 19.624 3.934 1.00 85.14 N ATOM 9 CZ ARG A 4 1.493 20.301 4.844 1.00100.28 C ATOM 10 NH1 ARG A 4 0.915 21.267 5.549 1.00 85.24 N ATOM 11 NH2 ARG A 4 2.769 20.014 5.060 1.00 89.81 N ATOM 12 HA ARG A 4 -3.446 22.518 1.000 1.00 0.00 H ATOM 13 HB2 ARG A 4 -2.560 21.623 3.186 1.00 0.00 H ATOM 14 HB3 ARG A 4 -2.788 20.426 1.889 1.00 0.00 H ATOM 15 HG2 ARG A 4 -0.439 20.254 1.519 1.00 0.00 H ATOM 16 HG3 ARG A 4 -0.107 21.657 2.562 1.00 0.00 H ATOM 17 HD2 ARG A 4 -1.093 18.917 3.386 1.00 0.00 H ATOM 18 HD3 ARG A 4 -1.097 20.326 4.473 1.00 0.00 H ATOM 19 HE ARG A 4 1.289 18.868 3.415 1.00 0.00 H ATOM 20 HH12 ARG A 4 1.464 21.792 6.259 1.00 0.00 H ATOM 21 HH11 ARG A 4 -0.087 21.498 5.391 1.00 0.00 H ATOM 22 HH22 ARG A 4 3.308 20.546 5.773 1.00 0.00 H ATOM 23 HH21 ARG A 4 3.231 19.257 4.517 1.00 0.00 H ATOM 24 HN3 ARG A 4 -0.763 22.077 -0.026 1.00 0.00 H ATOM 25 HN2 ARG A 4 -2.076 22.837 -0.791 1.00 0.00 H ATOM 26 HN1 ARG A 4 -2.150 21.179 -0.426 1.00 0.00 H ATOM 27 N THR A 5 -0.619 24.060 1.775 1.00 31.80 N ATOM 28 CA THR A 5 -0.065 25.303 2.358 1.00 30.89 C ATOM 29 C THR A 5 -0.354 26.554 1.533 1.00 32.28 C ATOM 30 O THR A 5 -0.231 27.675 2.045 1.00 32.45 O ATOM 31 CB THR A 5 1.446 25.185 2.619 1.00 39.74 C ATOM 32 OG1 THR A 5 2.118 25.105 1.365 1.00 41.82 O ATOM 33 CG2 THR A 5 1.817 23.995 3.505 1.00 40.37 C ATOM 34 HA THR A 5 -0.586 25.423 3.308 1.00 0.00 H ATOM 35 HB THR A 5 1.760 26.072 3.170 1.00 0.00 H ATOM 36 HG1 THR A 5 3.093 25.029 1.519 1.00 0.00 H ATOM 37 HG23 THR A 5 1.293 24.076 4.457 1.00 0.00 H ATOM 38 HG21 THR A 5 1.528 23.069 3.007 1.00 0.00 H ATOM 39 HG22 THR A 5 2.893 23.995 3.679 1.00 0.00 H ATOM 40 H THR A 5 0.039 23.383 1.339 1.00 0.00 H ATOM 41 N GLY A 6 -0.663 26.361 0.257 1.00 27.54 N ATOM 42 CA GLY A 6 -0.918 27.469 -0.656 1.00 27.64 C ATOM 43 C GLY A 6 0.341 28.011 -1.307 1.00 30.57 C ATOM 44 O GLY A 6 0.317 29.067 -1.951 1.00 29.14 O ATOM 45 HA3 GLY A 6 -1.394 28.275 -0.098 1.00 0.00 H ATOM 46 HA2 GLY A 6 -1.592 27.124 -1.440 1.00 0.00 H ATOM 47 H GLY A 6 -0.725 25.388 -0.104 1.00 0.00 H ATOM 48 N TYR A 7 1.463 27.303 -1.106 1.00 25.39 N ATOM 49 CA TYR A 7 2.748 27.689 -1.671 1.00 23.81 C ATOM 50 C TYR A 7 3.596 26.457 -1.902 1.00 27.45 C ATOM 51 O TYR A 7 3.372 25.398 -1.290 1.00 25.19 O ATOM 52 CB TYR A 7 3.476 28.698 -0.761 1.00 24.11 C ATOM 53 CG TYR A 7 3.859 28.172 0.613 1.00 24.89 C ATOM 54 CD1 TYR A 7 4.990 27.380 0.788 1.00 26.64 C ATOM 55 CD2 TYR A 7 3.161 28.569 1.751 1.00 25.39 C ATOM 56 CE1 TYR A 7 5.346 26.894 2.044 1.00 27.57 C ATOM 57 CE2 TYR A 7 3.530 28.119 3.019 1.00 26.20 C ATOM 58 CZ TYR A 7 4.615 27.268 3.157 1.00 31.26 C ATOM 59 OH TYR A 7 5.004 26.828 4.393 1.00 30.06 O ATOM 60 HA TYR A 7 2.574 28.181 -2.628 1.00 0.00 H ATOM 61 HB3 TYR A 7 2.823 29.560 -0.622 1.00 0.00 H ATOM 62 HB2 TYR A 7 4.388 29.013 -1.268 1.00 0.00 H ATOM 63 HD2 TYR A 7 2.311 29.244 1.649 1.00 0.00 H ATOM 64 HE2 TYR A 7 2.967 28.435 3.897 1.00 0.00 H ATOM 65 HE1 TYR A 7 6.197 26.222 2.149 1.00 0.00 H ATOM 66 HD1 TYR A 7 5.609 27.135 -0.075 1.00 0.00 H ATOM 67 HH TYR A 7 5.790 26.234 4.298 1.00 0.00 H ATOM 68 H TYR A 7 1.413 26.443 -0.523 1.00 0.00 H ATOM 69 N ASP A 8 4.634 26.627 -2.723 1.00 23.96 N ATOM 70 CA ASP A 8 5.551 25.551 -3.020 1.00 22.65 C ATOM 71 C ASP A 8 6.947 26.046 -2.726 1.00 23.07 C ATOM 72 O ASP A 8 7.373 27.044 -3.315 1.00 21.27 O ATOM 73 CB ASP A 8 5.369 25.146 -4.488 1.00 25.47 C ATOM 74 CG ASP A 8 6.264 24.050 -5.037 1.00 36.77 C ATOM 75 OD1 ASP A 8 6.992 23.417 -4.246 1.00 37.94 O ATOM 76 OD2 ASP A 8 6.209 23.806 -6.253 1.00 46.12 O ATOM 77 HA ASP A 8 5.364 24.667 -2.411 1.00 0.00 H ATOM 78 HB2 ASP A 8 4.338 24.814 -4.608 1.00 0.00 H ATOM 79 HB3 ASP A 8 5.536 26.036 -5.094 1.00 0.00 H ATOM 80 H ASP A 8 4.787 27.558 -3.160 1.00 0.00 H ATOM 81 N ASN A 9 7.657 25.368 -1.785 1.00 20.63 N ATOM 82 CA ASN A 9 9.045 25.700 -1.396 1.00 19.53 C ATOM 83 C ASN A 9 9.999 25.666 -2.582 1.00 18.93 C ATOM 84 O ASN A 9 11.029 26.339 -2.529 1.00 17.39 O ATOM 85 CB ASN A 9 9.563 24.830 -0.249 1.00 18.67 C ATOM 86 CG ASN A 9 8.967 25.171 1.094 1.00 29.13 C ATOM 87 OD1 ASN A 9 8.651 26.325 1.379 1.00 25.37 O ATOM 88 ND2 ASN A 9 8.788 24.170 1.948 1.00 23.37 N ATOM 89 HA ASN A 9 9.011 26.726 -1.028 1.00 0.00 H ATOM 90 HB2 ASN A 9 9.329 23.790 -0.474 1.00 0.00 H ATOM 91 HB3 ASN A 9 10.644 24.953 -0.186 1.00 0.00 H ATOM 92 HD22 ASN A 9 9.064 23.203 1.681 1.00 0.00 H ATOM 93 HD21 ASN A 9 8.372 24.353 2.883 1.00 0.00 H ATOM 94 H ASN A 9 7.196 24.566 -1.309 1.00 0.00 H ATOM 95 N ARG A 10 9.669 24.906 -3.645 1.00 15.91 N ATOM 96 CA ARG A 10 10.469 24.896 -4.872 1.00 16.58 C ATOM 97 C ARG A 10 10.588 26.331 -5.403 1.00 18.99 C ATOM 98 O ARG A 10 11.644 26.707 -5.877 1.00 16.54 O ATOM 99 CB ARG A 10 9.844 23.976 -5.955 1.00 19.23 C ATOM 100 CG ARG A 10 10.733 23.798 -7.181 1.00 30.26 C ATOM 101 CD ARG A 10 10.112 22.846 -8.191 1.00 44.75 C ATOM 102 NE ARG A 10 10.611 23.090 -9.545 1.00 59.96 N ATOM 103 CZ ARG A 10 10.097 23.979 -10.394 1.00 81.54 C ATOM 104 NH1 ARG A 10 9.065 24.734 -10.033 1.00 69.05 N ATOM 105 NH2 ARG A 10 10.616 24.125 -11.605 1.00 72.61 N ATOM 106 HA ARG A 10 11.457 24.500 -4.638 1.00 0.00 H ATOM 107 HB2 ARG A 10 9.662 22.996 -5.514 1.00 0.00 H ATOM 108 HB3 ARG A 10 8.897 24.411 -6.274 1.00 0.00 H ATOM 109 HG2 ARG A 10 10.881 24.769 -7.654 1.00 0.00 H ATOM 110 HG3 ARG A 10 11.697 23.399 -6.864 1.00 0.00 H ATOM 111 HD2 ARG A 10 9.030 22.980 -8.184 1.00 0.00 H ATOM 112 HD3 ARG A 10 10.352 21.822 -7.905 1.00 0.00 H ATOM 113 HE ARG A 10 11.425 22.529 -9.868 1.00 0.00 H ATOM 114 HH12 ARG A 10 8.668 25.426 -10.700 1.00 0.00 H ATOM 115 HH11 ARG A 10 8.654 24.633 -9.083 1.00 0.00 H ATOM 116 HH22 ARG A 10 10.211 24.820 -12.264 1.00 0.00 H ATOM 117 HH21 ARG A 10 11.428 23.544 -11.896 1.00 0.00 H ATOM 118 H ARG A 10 8.820 24.308 -3.592 1.00 0.00 H ATOM 119 N GLU A 11 9.508 27.144 -5.297 1.00 16.48 N ATOM 120 CA GLU A 11 9.553 28.525 -5.775 1.00 15.93 C ATOM 121 C GLU A 11 10.536 29.393 -4.972 1.00 15.92 C ATOM 122 O GLU A 11 11.252 30.200 -5.562 1.00 15.99 O ATOM 123 CB GLU A 11 8.155 29.156 -5.789 1.00 17.98 C ATOM 124 CG GLU A 11 8.138 30.539 -6.428 1.00 26.14 C ATOM 125 CD GLU A 11 6.774 31.209 -6.459 1.00 47.89 C ATOM 126 OE1 GLU A 11 6.705 32.406 -6.818 1.00 49.40 O ATOM 127 OE2 GLU A 11 5.776 30.543 -6.105 1.00 33.37 O ATOM 128 HA GLU A 11 9.923 28.487 -6.800 1.00 0.00 H ATOM 129 HB2 GLU A 11 7.484 28.505 -6.349 1.00 0.00 H ATOM 130 HB3 GLU A 11 7.801 29.242 -4.762 1.00 0.00 H ATOM 131 HG2 GLU A 11 8.819 31.180 -5.868 1.00 0.00 H ATOM 132 HG3 GLU A 11 8.493 30.443 -7.454 1.00 0.00 H ATOM 133 H GLU A 11 8.633 26.779 -4.869 1.00 0.00 H ATOM 134 N ILE A 12 10.581 29.235 -3.650 1.00 13.96 N ATOM 135 CA ILE A 12 11.530 29.998 -2.833 1.00 15.08 C ATOM 136 C ILE A 12 12.954 29.635 -3.270 1.00 16.92 C ATOM 137 O ILE A 12 13.805 30.518 -3.406 1.00 15.85 O ATOM 138 CB ILE A 12 11.311 29.773 -1.301 1.00 19.21 C ATOM 139 CG1 ILE A 12 10.050 30.492 -0.823 1.00 20.71 C ATOM 140 CG2 ILE A 12 12.506 30.304 -0.501 1.00 21.23 C ATOM 141 CD1 ILE A 12 9.713 30.212 0.669 1.00 24.42 C ATOM 142 HA ILE A 12 11.363 31.063 -2.995 1.00 0.00 H ATOM 143 HB ILE A 12 11.206 28.700 -1.139 1.00 0.00 H ATOM 144 HG12 ILE A 12 10.193 31.565 -0.951 1.00 0.00 H ATOM 145 HG13 ILE A 12 9.210 30.164 -1.436 1.00 0.00 H ATOM 146 HD11 ILE A 12 9.556 29.143 0.810 1.00 0.00 H ATOM 147 HD12 ILE A 12 10.540 30.545 1.296 1.00 0.00 H ATOM 148 HD13 ILE A 12 8.807 30.753 0.943 1.00 0.00 H ATOM 149 HG21 ILE A 12 13.410 29.779 -0.810 1.00 0.00 H ATOM 150 HG22 ILE A 12 12.622 31.371 -0.689 1.00 0.00 H ATOM 151 HG23 ILE A 12 12.333 30.137 0.562 1.00 0.00 H ATOM 152 H ILE A 12 9.935 28.562 -3.191 1.00 0.00 H ATOM 153 N VAL A 13 13.198 28.344 -3.497 1.00 13.15 N ATOM 154 CA VAL A 13 14.506 27.859 -3.943 1.00 12.63 C ATOM 155 C VAL A 13 14.887 28.441 -5.312 1.00 16.63 C ATOM 156 O VAL A 13 15.978 29.002 -5.453 1.00 14.53 O ATOM 157 CB VAL A 13 14.578 26.311 -3.910 1.00 14.66 C ATOM 158 CG1 VAL A 13 15.842 25.799 -4.582 1.00 15.14 C ATOM 159 CG2 VAL A 13 14.472 25.796 -2.482 1.00 13.73 C ATOM 160 HA VAL A 13 15.254 28.219 -3.236 1.00 0.00 H ATOM 161 HB VAL A 13 13.728 25.927 -4.474 1.00 0.00 H ATOM 162 HG11 VAL A 13 15.856 26.124 -5.622 1.00 0.00 H ATOM 163 HG12 VAL A 13 16.714 26.197 -4.064 1.00 0.00 H ATOM 164 HG13 VAL A 13 15.859 24.710 -4.540 1.00 0.00 H ATOM 165 HG21 VAL A 13 15.293 26.199 -1.890 1.00 0.00 H ATOM 166 HG22 VAL A 13 13.522 26.114 -2.052 1.00 0.00 H ATOM 167 HG23 VAL A 13 14.525 24.707 -2.485 1.00 0.00 H ATOM 168 H VAL A 13 12.431 27.656 -3.352 1.00 0.00 H ATOM 169 N MET A 14 13.996 28.311 -6.305 1.00 15.98 N ATOM 170 CA MET A 14 14.236 28.785 -7.669 1.00 18.00 C ATOM 171 C MET A 14 14.501 30.277 -7.713 1.00 16.65 C ATOM 172 O MET A 14 15.451 30.699 -8.362 1.00 15.37 O ATOM 173 CB MET A 14 13.088 28.411 -8.646 1.00 21.97 C ATOM 174 CG MET A 14 12.840 26.894 -8.819 1.00 28.64 C ATOM 175 SD MET A 14 14.275 25.808 -9.046 1.00 36.90 S ATOM 176 CE MET A 14 14.928 26.416 -10.554 1.00 33.87 C ATOM 177 HA MET A 14 15.134 28.268 -8.007 1.00 0.00 H ATOM 178 HB2 MET A 14 12.168 28.863 -8.275 1.00 0.00 H ATOM 179 HB3 MET A 14 13.328 28.828 -9.624 1.00 0.00 H ATOM 180 HG2 MET A 14 12.199 26.769 -9.692 1.00 0.00 H ATOM 181 HG3 MET A 14 12.312 26.550 -7.930 1.00 0.00 H ATOM 182 HE1 MET A 14 14.179 26.315 -11.340 1.00 0.00 H ATOM 183 HE2 MET A 14 15.194 27.467 -10.436 1.00 0.00 H ATOM 184 HE3 MET A 14 15.816 25.843 -10.821 1.00 0.00 H ATOM 185 H MET A 14 13.088 27.850 -6.096 1.00 0.00 H ATOM 186 N LYS A 15 13.699 31.065 -6.998 1.00 14.42 N ATOM 187 CA LYS A 15 13.894 32.522 -6.951 1.00 14.77 C ATOM 188 C LYS A 15 15.202 32.906 -6.292 1.00 16.25 C ATOM 189 O LYS A 15 15.862 33.862 -6.722 1.00 13.62 O ATOM 190 CB LYS A 15 12.695 33.212 -6.273 1.00 17.30 C ATOM 191 CG LYS A 15 11.537 33.301 -7.282 1.00 23.22 C ATOM 192 CD LYS A 15 10.338 34.015 -6.714 1.00 32.19 C ATOM 193 CE LYS A 15 9.324 34.505 -7.736 1.00 42.09 C ATOM 194 NZ LYS A 15 8.787 33.427 -8.609 1.00 53.87 N ATOM 195 HA LYS A 15 13.951 32.875 -7.981 1.00 0.00 H ATOM 196 HB2 LYS A 15 12.381 32.632 -5.405 1.00 0.00 H ATOM 197 HB3 LYS A 15 12.981 34.214 -5.954 1.00 0.00 H ATOM 198 HG2 LYS A 15 11.881 33.840 -8.164 1.00 0.00 H ATOM 199 HG3 LYS A 15 11.242 32.291 -7.567 1.00 0.00 H ATOM 200 HD2 LYS A 15 9.828 33.330 -6.036 1.00 0.00 H ATOM 201 HD3 LYS A 15 10.695 34.879 -6.154 1.00 0.00 H ATOM 202 HE2 LYS A 15 9.805 35.252 -8.367 1.00 0.00 H ATOM 203 HE3 LYS A 15 8.491 34.963 -7.203 1.00 0.00 H ATOM 204 HZ1 LYS A 15 9.569 32.986 -9.134 1.00 0.00 H ATOM 205 HZ2 LYS A 15 8.315 32.710 -8.022 1.00 0.00 H ATOM 206 HZ3 LYS A 15 8.103 33.834 -9.279 1.00 0.00 H ATOM 207 H LYS A 15 12.917 30.640 -6.461 1.00 0.00 H ATOM 208 N TYR A 16 15.569 32.177 -5.225 1.00 12.88 N ATOM 209 CA TYR A 16 16.824 32.477 -4.530 1.00 12.79 C ATOM 210 C TYR A 16 18.023 32.169 -5.426 1.00 14.67 C ATOM 211 O TYR A 16 18.913 32.998 -5.545 1.00 12.90 O ATOM 212 CB TYR A 16 16.942 31.663 -3.218 1.00 14.12 C ATOM 213 CG TYR A 16 17.977 32.278 -2.308 1.00 16.52 C ATOM 214 CD1 TYR A 16 19.314 31.868 -2.353 1.00 18.98 C ATOM 215 CD2 TYR A 16 17.642 33.319 -1.455 1.00 19.08 C ATOM 216 CE1 TYR A 16 20.285 32.484 -1.552 1.00 17.30 C ATOM 217 CE2 TYR A 16 18.599 33.937 -0.653 1.00 21.43 C ATOM 218 CZ TYR A 16 19.914 33.520 -0.708 1.00 23.48 C ATOM 219 OH TYR A 16 20.789 34.125 0.155 1.00 25.72 O ATOM 220 HA TYR A 16 16.819 33.540 -4.287 1.00 0.00 H ATOM 221 HB3 TYR A 16 17.234 30.640 -3.455 1.00 0.00 H ATOM 222 HB2 TYR A 16 15.977 31.656 -2.711 1.00 0.00 H ATOM 223 HD2 TYR A 16 16.608 33.661 -1.411 1.00 0.00 H ATOM 224 HE2 TYR A 16 18.310 34.748 0.016 1.00 0.00 H ATOM 225 HE1 TYR A 16 21.322 32.152 -1.592 1.00 0.00 H ATOM 226 HD1 TYR A 16 19.605 31.057 -3.021 1.00 0.00 H ATOM 227 HH TYR A 16 20.808 35.098 -0.024 1.00 0.00 H ATOM 228 H TYR A 16 14.963 31.400 -4.892 1.00 0.00 H ATOM 229 N ILE A 17 18.062 30.963 -6.032 1.00 12.94 N ATOM 230 CA ILE A 17 19.162 30.591 -6.927 1.00 13.45 C ATOM 231 C ILE A 17 19.240 31.588 -8.096 1.00 16.05 C ATOM 232 O ILE A 17 20.322 32.059 -8.414 1.00 14.76 O ATOM 233 CB ILE A 17 18.980 29.131 -7.417 1.00 16.71 C ATOM 234 CG1 ILE A 17 19.239 28.172 -6.235 1.00 17.13 C ATOM 235 CG2 ILE A 17 19.925 28.829 -8.646 1.00 18.10 C ATOM 236 CD1 ILE A 17 18.782 26.743 -6.499 1.00 19.94 C ATOM 237 HA ILE A 17 20.108 30.637 -6.388 1.00 0.00 H ATOM 238 HB ILE A 17 17.959 28.982 -7.768 1.00 0.00 H ATOM 239 HG12 ILE A 17 20.309 28.160 -6.029 1.00 0.00 H ATOM 240 HG13 ILE A 17 18.706 28.549 -5.362 1.00 0.00 H ATOM 241 HD11 ILE A 17 17.710 26.736 -6.696 1.00 0.00 H ATOM 242 HD12 ILE A 17 19.314 26.347 -7.364 1.00 0.00 H ATOM 243 HD13 ILE A 17 18.996 26.127 -5.625 1.00 0.00 H ATOM 244 HG21 ILE A 17 19.683 29.507 -9.464 1.00 0.00 H ATOM 245 HG22 ILE A 17 20.964 28.973 -8.348 1.00 0.00 H ATOM 246 HG23 ILE A 17 19.778 27.799 -8.971 1.00 0.00 H ATOM 247 H ILE A 17 17.294 30.283 -5.860 1.00 0.00 H ATOM 248 N HIS A 18 18.090 31.915 -8.708 1.00 15.31 N ATOM 249 CA HIS A 18 18.047 32.908 -9.801 1.00 15.04 C ATOM 250 C HIS A 18 18.703 34.224 -9.357 1.00 16.88 C ATOM 251 O HIS A 18 19.483 34.810 -10.120 1.00 15.80 O ATOM 252 CB HIS A 18 16.599 33.189 -10.261 1.00 16.55 C ATOM 253 CG HIS A 18 16.545 34.306 -11.269 1.00 20.65 C ATOM 254 ND1 HIS A 18 17.181 34.193 -12.491 1.00 23.26 N ATOM 255 CD2 HIS A 18 16.057 35.566 -11.148 1.00 23.19 C ATOM 256 CE1 HIS A 18 17.007 35.359 -13.102 1.00 23.06 C ATOM 257 NE2 HIS A 18 16.332 36.214 -12.337 1.00 23.30 N ATOM 258 HA HIS A 18 18.600 32.487 -10.641 1.00 0.00 H ATOM 259 HB2 HIS A 18 16.189 32.285 -10.712 1.00 0.00 H ATOM 260 HB3 HIS A 18 15.999 33.465 -9.394 1.00 0.00 H ATOM 261 HD2 HIS A 18 15.547 35.986 -10.281 1.00 0.00 H ATOM 262 HE1 HIS A 18 17.371 35.587 -14.104 1.00 0.00 H ATOM 263 H HIS A 18 17.207 31.457 -8.405 1.00 0.00 H ATOM 264 N TYR A 19 18.392 34.703 -8.124 1.00 12.99 N ATOM 265 CA TYR A 19 18.980 35.960 -7.639 1.00 12.34 C ATOM 266 C TYR A 19 20.490 35.883 -7.508 1.00 15.52 C ATOM 267 O TYR A 19 21.193 36.819 -7.918 1.00 14.16 O ATOM 268 CB TYR A 19 18.362 36.365 -6.286 1.00 13.44 C ATOM 269 CG TYR A 19 19.005 37.573 -5.648 1.00 14.65 C ATOM 270 CD1 TYR A 19 18.867 38.843 -6.212 1.00 17.23 C ATOM 271 CD2 TYR A 19 19.678 37.468 -4.431 1.00 13.72 C ATOM 272 CE1 TYR A 19 19.398 39.975 -5.589 1.00 17.41 C ATOM 273 CE2 TYR A 19 20.206 38.597 -3.797 1.00 13.51 C ATOM 274 CZ TYR A 19 20.052 39.850 -4.376 1.00 21.31 C ATOM 275 OH TYR A 19 20.551 40.978 -3.754 1.00 20.81 O ATOM 276 HA TYR A 19 18.751 36.719 -8.387 1.00 0.00 H ATOM 277 HB3 TYR A 19 18.459 35.524 -5.600 1.00 0.00 H ATOM 278 HB2 TYR A 19 17.306 36.583 -6.444 1.00 0.00 H ATOM 279 HD2 TYR A 19 19.794 36.489 -3.966 1.00 0.00 H ATOM 280 HE2 TYR A 19 20.737 38.494 -2.851 1.00 0.00 H ATOM 281 HE1 TYR A 19 19.297 40.954 -6.057 1.00 0.00 H ATOM 282 HD1 TYR A 19 18.335 38.953 -7.157 1.00 0.00 H ATOM 283 HH TYR A 19 20.128 41.077 -2.864 1.00 0.00 H ATOM 284 H TYR A 19 17.732 34.175 -7.518 1.00 0.00 H ATOM 285 N LYS A 20 21.002 34.769 -6.956 1.00 12.81 N ATOM 286 CA LYS A 20 22.453 34.594 -6.771 1.00 12.34 C ATOM 287 C LYS A 20 23.190 34.547 -8.095 1.00 14.66 C ATOM 288 O LYS A 20 24.234 35.190 -8.227 1.00 14.50 O ATOM 289 CB LYS A 20 22.783 33.360 -5.877 1.00 12.97 C ATOM 290 CG LYS A 20 22.103 33.385 -4.476 1.00 13.34 C ATOM 291 CD LYS A 20 22.105 34.777 -3.766 1.00 18.04 C ATOM 292 CE LYS A 20 23.444 35.162 -3.159 1.00 22.85 C ATOM 293 NZ LYS A 20 23.402 36.529 -2.557 1.00 20.37 N ATOM 294 HA LYS A 20 22.812 35.475 -6.239 1.00 0.00 H ATOM 295 HB2 LYS A 20 22.456 32.462 -6.400 1.00 0.00 H ATOM 296 HB3 LYS A 20 23.863 33.322 -5.732 1.00 0.00 H ATOM 297 HG2 LYS A 20 21.067 33.068 -4.597 1.00 0.00 H ATOM 298 HG3 LYS A 20 22.626 32.677 -3.833 1.00 0.00 H ATOM 299 HD2 LYS A 20 21.830 35.536 -4.499 1.00 0.00 H ATOM 300 HD3 LYS A 20 21.361 34.756 -2.970 1.00 0.00 H ATOM 301 HE2 LYS A 20 24.205 35.142 -3.939 1.00 0.00 H ATOM 302 HE3 LYS A 20 23.701 34.441 -2.383 1.00 0.00 H ATOM 303 HZ1 LYS A 20 23.163 37.223 -3.293 1.00 0.00 H ATOM 304 HZ2 LYS A 20 22.682 36.554 -1.807 1.00 0.00 H ATOM 305 HZ3 LYS A 20 24.333 36.757 -2.153 1.00 0.00 H ATOM 306 H LYS A 20 20.357 34.012 -6.652 1.00 0.00 H ATOM 307 N LEU A 21 22.631 33.846 -9.078 1.00 12.16 N ATOM 308 CA LEU A 21 23.206 33.773 -10.432 1.00 11.95 C ATOM 309 C LEU A 21 23.095 35.131 -11.141 1.00 16.36 C ATOM 310 O LEU A 21 24.063 35.582 -11.738 1.00 14.67 O ATOM 311 CB LEU A 21 22.531 32.666 -11.253 1.00 13.03 C ATOM 312 CG LEU A 21 22.755 31.228 -10.720 1.00 16.69 C ATOM 313 CD1 LEU A 21 22.004 30.221 -11.559 1.00 18.40 C ATOM 314 CD2 LEU A 21 24.263 30.868 -10.692 1.00 16.61 C ATOM 315 HA LEU A 21 24.263 33.524 -10.341 1.00 0.00 H ATOM 316 HB2 LEU A 21 21.458 32.859 -11.265 1.00 0.00 H ATOM 317 HB3 LEU A 21 22.919 32.714 -12.270 1.00 0.00 H ATOM 318 HG LEU A 21 22.372 31.194 -9.700 1.00 0.00 H ATOM 319 HD21 LEU A 21 24.669 30.932 -11.701 1.00 0.00 H ATOM 320 HD22 LEU A 21 24.790 31.566 -10.042 1.00 0.00 H ATOM 321 HD23 LEU A 21 24.386 29.853 -10.313 1.00 0.00 H ATOM 322 HD11 LEU A 21 20.938 30.446 -11.527 1.00 0.00 H ATOM 323 HD12 LEU A 21 22.357 30.273 -12.589 1.00 0.00 H ATOM 324 HD13 LEU A 21 22.177 29.220 -11.165 1.00 0.00 H ATOM 325 H LEU A 21 21.751 33.328 -8.882 1.00 0.00 H ATOM 326 N SER A 22 21.948 35.809 -11.012 1.00 13.72 N ATOM 327 CA SER A 22 21.755 37.131 -11.628 1.00 13.78 C ATOM 328 C SER A 22 22.759 38.156 -11.113 1.00 17.70 C ATOM 329 O SER A 22 23.255 38.971 -11.901 1.00 17.46 O ATOM 330 CB SER A 22 20.318 37.619 -11.395 1.00 17.16 C ATOM 331 OG SER A 22 20.254 39.021 -11.586 1.00 30.68 O ATOM 332 HA SER A 22 21.927 37.023 -12.699 1.00 0.00 H ATOM 333 HB2 SER A 22 20.013 37.377 -10.377 1.00 0.00 H ATOM 334 HB3 SER A 22 19.649 37.126 -12.100 1.00 0.00 H ATOM 335 HG SER A 22 20.861 39.468 -10.945 1.00 0.00 H ATOM 336 H SER A 22 21.172 35.390 -10.461 1.00 0.00 H ATOM 337 N GLN A 23 23.060 38.131 -9.792 1.00 14.64 N ATOM 338 CA GLN A 23 24.033 39.036 -9.155 1.00 15.35 C ATOM 339 C GLN A 23 25.413 38.941 -9.804 1.00 19.51 C ATOM 340 O GLN A 23 26.130 39.925 -9.814 1.00 20.48 O ATOM 341 CB GLN A 23 24.183 38.731 -7.655 1.00 16.62 C ATOM 342 CG GLN A 23 23.085 39.309 -6.771 1.00 18.91 C ATOM 343 CD GLN A 23 23.402 39.039 -5.314 1.00 27.84 C ATOM 344 OE1 GLN A 23 23.732 37.914 -4.928 1.00 17.63 O ATOM 345 NE2 GLN A 23 23.367 40.070 -4.484 1.00 19.02 N ATOM 346 HA GLN A 23 23.641 40.044 -9.291 1.00 0.00 H ATOM 347 HB2 GLN A 23 24.186 37.648 -7.528 1.00 0.00 H ATOM 348 HB3 GLN A 23 25.137 39.138 -7.320 1.00 0.00 H ATOM 349 HG2 GLN A 23 23.018 40.385 -6.934 1.00 0.00 H ATOM 350 HG3 GLN A 23 22.133 38.844 -7.026 1.00 0.00 H ATOM 351 HE22 GLN A 23 23.086 41.009 -4.832 1.00 0.00 H ATOM 352 HE21 GLN A 23 23.621 39.941 -3.484 1.00 0.00 H ATOM 353 H GLN A 23 22.576 37.432 -9.193 1.00 0.00 H ATOM 354 N ARG A 24 25.792 37.759 -10.319 1.00 15.73 N ATOM 355 CA ARG A 24 27.100 37.535 -10.961 1.00 15.58 C ATOM 356 C ARG A 24 27.018 37.770 -12.482 1.00 18.42 C ATOM 357 O ARG A 24 28.030 37.673 -13.179 1.00 17.89 O ATOM 358 CB ARG A 24 27.564 36.072 -10.695 1.00 16.09 C ATOM 359 CG ARG A 24 27.945 35.776 -9.213 1.00 24.21 C ATOM 360 CD ARG A 24 29.434 35.951 -8.970 1.00 41.71 C ATOM 361 NE ARG A 24 29.824 35.585 -7.607 1.00 62.92 N ATOM 362 CZ ARG A 24 30.077 36.454 -6.631 1.00 80.02 C ATOM 363 NH1 ARG A 24 29.988 37.759 -6.854 1.00 71.50 N ATOM 364 NH2 ARG A 24 30.428 36.024 -5.425 1.00 64.62 N ATOM 365 HA ARG A 24 27.815 38.241 -10.538 1.00 0.00 H ATOM 366 HB2 ARG A 24 26.754 35.400 -10.980 1.00 0.00 H ATOM 367 HB3 ARG A 24 28.436 35.872 -11.318 1.00 0.00 H ATOM 368 HG2 ARG A 24 27.398 36.460 -8.564 1.00 0.00 H ATOM 369 HG3 ARG A 24 27.666 34.750 -8.974 1.00 0.00 H ATOM 370 HD2 ARG A 24 29.697 36.995 -9.141 1.00 0.00 H ATOM 371 HD3 ARG A 24 29.980 35.321 -9.672 1.00 0.00 H ATOM 372 HE ARG A 24 29.910 34.573 -7.385 1.00 0.00 H ATOM 373 HH12 ARG A 24 30.187 38.432 -6.087 1.00 0.00 H ATOM 374 HH11 ARG A 24 29.719 38.108 -7.796 1.00 0.00 H ATOM 375 HH22 ARG A 24 30.625 36.707 -4.666 1.00 0.00 H ATOM 376 HH21 ARG A 24 30.506 35.004 -5.239 1.00 0.00 H ATOM 377 H ARG A 24 25.128 36.961 -10.262 1.00 0.00 H ATOM 378 N GLY A 25 25.815 38.033 -12.992 1.00 15.70 N ATOM 379 CA GLY A 25 25.599 38.190 -14.432 1.00 15.09 C ATOM 380 C GLY A 25 25.541 36.835 -15.108 1.00 19.15 C ATOM 381 O GLY A 25 25.777 36.728 -16.314 1.00 18.99 O ATOM 382 HA3 GLY A 25 26.419 38.769 -14.857 1.00 0.00 H ATOM 383 HA2 GLY A 25 24.659 38.716 -14.599 1.00 0.00 H ATOM 384 H GLY A 25 25.005 38.130 -12.347 1.00 0.00 H ATOM 385 N TYR A 26 25.189 35.777 -14.345 1.00 15.18 N ATOM 386 CA TYR A 26 25.114 34.414 -14.883 1.00 15.21 C ATOM 387 C TYR A 26 23.763 34.046 -15.402 1.00 18.25 C ATOM 388 O TYR A 26 23.608 32.993 -16.025 1.00 17.40 O ATOM 389 CB TYR A 26 25.592 33.367 -13.859 1.00 16.15 C ATOM 390 CG TYR A 26 27.061 33.434 -13.493 1.00 16.64 C ATOM 391 CD1 TYR A 26 27.917 34.361 -14.098 1.00 18.93 C ATOM 392 CD2 TYR A 26 27.606 32.555 -12.558 1.00 16.51 C ATOM 393 CE1 TYR A 26 29.277 34.411 -13.771 1.00 20.50 C ATOM 394 CE2 TYR A 26 28.963 32.586 -12.241 1.00 16.60 C ATOM 395 CZ TYR A 26 29.791 33.518 -12.840 1.00 23.58 C ATOM 396 OH TYR A 26 31.112 33.569 -12.474 1.00 23.96 O ATOM 397 HA TYR A 26 25.792 34.410 -15.736 1.00 0.00 H ATOM 398 HB3 TYR A 26 25.394 32.378 -14.272 1.00 0.00 H ATOM 399 HB2 TYR A 26 25.012 33.501 -12.946 1.00 0.00 H ATOM 400 HD2 TYR A 26 26.958 31.830 -12.065 1.00 0.00 H ATOM 401 HE2 TYR A 26 29.371 31.876 -11.522 1.00 0.00 H ATOM 402 HE1 TYR A 26 29.928 35.146 -14.244 1.00 0.00 H ATOM 403 HD1 TYR A 26 27.518 35.056 -14.837 1.00 0.00 H ATOM 404 HH TYR A 26 31.568 34.282 -12.988 1.00 0.00 H ATOM 405 H TYR A 26 24.963 35.934 -13.342 1.00 0.00 H ATOM 406 N GLU A 27 22.760 34.863 -15.081 1.00 15.86 N ATOM 407 CA GLU A 27 21.398 34.683 -15.580 1.00 15.36 C ATOM 408 C GLU A 27 20.833 36.073 -15.849 1.00 16.26 C ATOM 409 O GLU A 27 21.219 37.033 -15.183 1.00 14.75 O ATOM 410 CB GLU A 27 20.515 33.947 -14.552 1.00 16.91 C ATOM 411 CG GLU A 27 20.677 32.436 -14.589 1.00 25.41 C ATOM 412 CD GLU A 27 19.586 31.611 -13.939 1.00 32.33 C ATOM 413 OE1 GLU A 27 19.568 30.383 -14.172 1.00 32.23 O ATOM 414 OE2 GLU A 27 18.753 32.179 -13.198 1.00 28.70 O ATOM 415 HA GLU A 27 21.410 34.076 -16.485 1.00 0.00 H ATOM 416 HB2 GLU A 27 20.779 34.299 -13.555 1.00 0.00 H ATOM 417 HB3 GLU A 27 19.472 34.188 -14.757 1.00 0.00 H ATOM 418 HG2 GLU A 27 20.736 32.137 -15.636 1.00 0.00 H ATOM 419 HG3 GLU A 27 21.615 32.193 -14.089 1.00 0.00 H ATOM 420 H GLU A 27 22.955 35.664 -14.447 1.00 0.00 H ATOM 421 N TRP A 28 19.967 36.182 -16.854 1.00 15.55 N ATOM 422 CA TRP A 28 19.311 37.435 -17.219 1.00 14.74 C ATOM 423 C TRP A 28 18.389 37.919 -16.101 1.00 19.42 C ATOM 424 O TRP A 28 17.544 37.156 -15.625 1.00 19.51 O ATOM 425 CB TRP A 28 18.415 37.228 -18.458 1.00 13.61 C ATOM 426 CG TRP A 28 19.125 36.937 -19.749 1.00 14.03 C ATOM 427 CD1 TRP A 28 19.054 35.788 -20.479 1.00 17.00 C ATOM 428 CD2 TRP A 28 19.964 37.831 -20.484 1.00 13.61 C ATOM 429 NE1 TRP A 28 19.790 35.917 -21.636 1.00 16.93 N ATOM 430 CE2 TRP A 28 20.399 37.143 -21.641 1.00 17.85 C ATOM 431 CE3 TRP A 28 20.390 39.151 -20.281 1.00 14.42 C ATOM 432 CZ2 TRP A 28 21.219 37.742 -22.606 1.00 17.43 C ATOM 433 CZ3 TRP A 28 21.252 39.726 -21.208 1.00 15.91 C ATOM 434 CH2 TRP A 28 21.659 39.021 -22.354 1.00 16.64 C ATOM 435 HA TRP A 28 20.101 38.161 -17.411 1.00 0.00 H ATOM 436 HB2 TRP A 28 17.747 36.392 -18.250 1.00 0.00 H ATOM 437 HB3 TRP A 28 17.827 38.135 -18.599 1.00 0.00 H ATOM 438 HE1 TRP A 28 19.870 35.199 -22.384 1.00 0.00 H ATOM 439 HD1 TRP A 28 18.496 34.897 -20.189 1.00 0.00 H ATOM 440 HZ2 TRP A 28 21.497 37.216 -23.519 1.00 0.00 H ATOM 441 HH2 TRP A 28 22.339 39.499 -23.059 1.00 0.00 H ATOM 442 HZ3 TRP A 28 21.618 40.739 -21.044 1.00 0.00 H ATOM 443 HE3 TRP A 28 20.052 39.716 -19.412 1.00 0.00 H ATOM 444 H TRP A 28 19.746 35.330 -17.408 1.00 0.00 H ATOM 445 N ASP A 29 18.484 39.208 -15.772 1.00 16.01 N ATOM 446 CA ASP A 29 17.581 39.908 -14.868 1.00 17.13 C ATOM 447 C ASP A 29 17.867 41.380 -14.969 1.00 22.84 C ATOM 448 O ASP A 29 18.993 41.808 -14.703 1.00 22.04 O ATOM 449 CB ASP A 29 17.707 39.451 -13.403 1.00 18.97 C ATOM 450 CG ASP A 29 16.438 39.758 -12.626 1.00 28.95 C ATOM 451 OD1 ASP A 29 15.668 38.809 -12.350 1.00 29.35 O ATOM 452 OD2 ASP A 29 16.178 40.954 -12.367 1.00 27.82 O ATOM 453 HA ASP A 29 16.560 39.676 -15.170 1.00 0.00 H ATOM 454 HB2 ASP A 29 17.889 38.377 -13.379 1.00 0.00 H ATOM 455 HB3 ASP A 29 18.545 39.971 -12.938 1.00 0.00 H ATOM 456 H ASP A 29 19.262 39.755 -16.193 1.00 0.00 H ATOM 457 N ALA A 30 16.854 42.157 -15.370 1.00 22.94 N ATOM 458 CA ALA A 30 16.973 43.624 -15.503 1.00 24.47 C ATOM 459 C ALA A 30 17.226 44.326 -14.147 1.00 29.32 C ATOM 460 O ALA A 30 17.668 45.478 -14.114 1.00 29.45 O ATOM 461 CB ALA A 30 15.720 44.186 -16.163 1.00 25.42 C ATOM 462 HA ALA A 30 17.842 43.824 -16.129 1.00 0.00 H ATOM 463 HB1 ALA A 30 15.601 43.742 -17.152 1.00 0.00 H ATOM 464 HB2 ALA A 30 14.850 43.949 -15.550 1.00 0.00 H ATOM 465 HB3 ALA A 30 15.815 45.268 -16.258 1.00 0.00 H ATOM 466 H ALA A 30 15.944 41.709 -15.598 1.00 0.00 H ATOM 467 N GLY A 31 16.962 43.619 -13.050 1.00 25.50 N ATOM 468 CA GLY A 31 17.165 44.139 -11.698 1.00 35.26 C ATOM 469 C GLY A 31 16.106 45.132 -11.278 1.00 72.18 C ATOM 470 O GLY A 31 15.009 45.145 -11.837 1.00 49.11 O ATOM 471 HA3 GLY A 31 18.137 44.631 -11.658 1.00 0.00 H ATOM 472 HA2 GLY A 31 17.153 43.303 -10.999 1.00 0.00 H ATOM 473 H GLY A 31 16.594 42.652 -13.160 1.00 0.00 H TER 474 GLY A 31 ATOM 475 N SER A 87 3.254 42.819 -3.809 1.00 47.12 N ATOM 476 CA SER A 87 3.134 41.367 -3.915 1.00 46.49 C ATOM 477 C SER A 87 3.989 40.631 -2.849 1.00 46.52 C ATOM 478 O SER A 87 4.159 41.135 -1.724 1.00 45.43 O ATOM 479 CB SER A 87 3.481 40.913 -5.333 1.00 51.34 C ATOM 480 OG SER A 87 3.101 39.565 -5.563 1.00 63.03 O ATOM 481 HA SER A 87 2.097 41.098 -3.712 1.00 0.00 H ATOM 482 HB2 SER A 87 4.557 41.007 -5.480 1.00 0.00 H ATOM 483 HB3 SER A 87 2.961 41.553 -6.046 1.00 0.00 H ATOM 484 HG SER A 87 3.341 39.309 -6.489 1.00 0.00 H ATOM 485 HN3 SER A 87 4.248 43.094 -3.944 1.00 0.00 H ATOM 486 HN2 SER A 87 2.933 43.124 -2.868 1.00 0.00 H ATOM 487 HN1 SER A 87 2.666 43.268 -4.540 1.00 0.00 H ATOM 488 N GLU A 88 4.529 39.444 -3.212 1.00 40.72 N ATOM 489 CA GLU A 88 5.359 38.603 -2.347 1.00 38.47 C ATOM 490 C GLU A 88 6.565 39.333 -1.749 1.00 38.29 C ATOM 491 O GLU A 88 7.265 40.055 -2.447 1.00 40.57 O ATOM 492 CB GLU A 88 5.786 37.317 -3.057 1.00 39.55 C ATOM 493 CG GLU A 88 6.296 36.249 -2.108 1.00 39.93 C ATOM 494 CD GLU A 88 5.289 35.835 -1.053 1.00 43.96 C ATOM 495 OE1 GLU A 88 4.327 35.122 -1.413 1.00 26.03 O ATOM 496 OE2 GLU A 88 5.444 36.244 0.122 1.00 23.77 O ATOM 497 HA GLU A 88 4.724 38.336 -1.503 1.00 0.00 H ATOM 498 HB2 GLU A 88 4.928 36.919 -3.598 1.00 0.00 H ATOM 499 HB3 GLU A 88 6.579 37.559 -3.765 1.00 0.00 H ATOM 500 HG2 GLU A 88 6.563 35.369 -2.693 1.00 0.00 H ATOM 501 HG3 GLU A 88 7.184 36.632 -1.604 1.00 0.00 H ATOM 502 H GLU A 88 4.340 39.104 -4.177 1.00 0.00 H ATOM 503 N VAL A 89 6.788 39.115 -0.448 1.00 27.28 N ATOM 504 CA VAL A 89 7.799 39.725 0.409 1.00 23.53 C ATOM 505 C VAL A 89 8.821 38.668 0.939 1.00 20.27 C ATOM 506 O VAL A 89 9.899 39.047 1.409 1.00 19.61 O ATOM 507 CB VAL A 89 7.034 40.442 1.559 1.00 26.86 C ATOM 508 CG1 VAL A 89 6.141 39.466 2.330 1.00 25.97 C ATOM 509 CG2 VAL A 89 7.974 41.194 2.495 1.00 26.75 C ATOM 510 HA VAL A 89 8.401 40.444 -0.147 1.00 0.00 H ATOM 511 HB VAL A 89 6.388 41.186 1.093 1.00 0.00 H ATOM 512 HG11 VAL A 89 5.411 39.028 1.649 1.00 0.00 H ATOM 513 HG12 VAL A 89 6.756 38.677 2.762 1.00 0.00 H ATOM 514 HG13 VAL A 89 5.622 40.001 3.125 1.00 0.00 H ATOM 515 HG21 VAL A 89 8.678 40.492 2.942 1.00 0.00 H ATOM 516 HG22 VAL A 89 8.521 41.948 1.929 1.00 0.00 H ATOM 517 HG23 VAL A 89 7.393 41.677 3.280 1.00 0.00 H ATOM 518 H VAL A 89 6.161 38.423 0.011 1.00 0.00 H ATOM 519 N VAL A 90 8.480 37.377 0.891 1.00 16.22 N ATOM 520 CA VAL A 90 9.379 36.315 1.424 1.00 17.30 C ATOM 521 C VAL A 90 10.701 36.267 0.658 1.00 18.85 C ATOM 522 O VAL A 90 11.753 36.084 1.251 1.00 17.58 O ATOM 523 CB VAL A 90 8.714 34.906 1.534 1.00 22.29 C ATOM 524 CG1 VAL A 90 8.468 34.261 0.170 1.00 23.32 C ATOM 525 CG2 VAL A 90 9.533 33.967 2.415 1.00 22.22 C ATOM 526 HA VAL A 90 9.593 36.603 2.453 1.00 0.00 H ATOM 527 HB VAL A 90 7.743 35.070 2.001 1.00 0.00 H ATOM 528 HG11 VAL A 90 7.807 34.898 -0.418 1.00 0.00 H ATOM 529 HG12 VAL A 90 9.418 34.143 -0.351 1.00 0.00 H ATOM 530 HG13 VAL A 90 8.004 33.284 0.310 1.00 0.00 H ATOM 531 HG21 VAL A 90 10.529 33.846 1.988 1.00 0.00 H ATOM 532 HG22 VAL A 90 9.614 34.389 3.417 1.00 0.00 H ATOM 533 HG23 VAL A 90 9.039 32.997 2.468 1.00 0.00 H ATOM 534 H VAL A 90 7.567 37.107 0.472 1.00 0.00 H ATOM 535 N HIS A 91 10.624 36.393 -0.666 1.00 16.26 N ATOM 536 CA HIS A 91 11.800 36.282 -1.533 1.00 15.81 C ATOM 537 C HIS A 91 12.749 37.449 -1.296 1.00 17.41 C ATOM 538 O HIS A 91 13.954 37.250 -1.124 1.00 14.99 O ATOM 539 CB HIS A 91 11.340 36.141 -3.008 1.00 15.55 C ATOM 540 CG HIS A 91 10.406 34.979 -3.229 1.00 17.19 C ATOM 541 ND1 HIS A 91 9.110 35.157 -3.771 1.00 19.44 N ATOM 542 CD2 HIS A 91 10.586 33.670 -2.962 1.00 16.34 C ATOM 543 CE1 HIS A 91 8.577 33.945 -3.831 1.00 17.73 C ATOM 544 NE2 HIS A 91 9.429 33.014 -3.354 1.00 18.94 N ATOM 545 HA HIS A 91 12.369 35.384 -1.290 1.00 0.00 H ATOM 546 HB2 HIS A 91 10.829 37.058 -3.301 1.00 0.00 H ATOM 547 HB3 HIS A 91 12.221 36.002 -3.634 1.00 0.00 H ATOM 548 HD2 HIS A 91 11.473 33.214 -2.522 1.00 0.00 H ATOM 549 HE1 HIS A 91 7.580 33.729 -4.216 1.00 0.00 H ATOM 550 H HIS A 91 9.697 36.577 -1.099 1.00 0.00 H ATOM 551 N LEU A 92 12.204 38.657 -1.185 1.00 15.43 N ATOM 552 CA LEU A 92 13.008 39.846 -0.919 1.00 16.24 C ATOM 553 C LEU A 92 13.631 39.784 0.463 1.00 16.59 C ATOM 554 O LEU A 92 14.793 40.166 0.623 1.00 14.44 O ATOM 555 CB LEU A 92 12.129 41.106 -1.032 1.00 18.52 C ATOM 556 CG LEU A 92 11.592 41.372 -2.439 1.00 27.35 C ATOM 557 CD1 LEU A 92 10.403 42.360 -2.395 1.00 30.19 C ATOM 558 CD2 LEU A 92 12.698 41.887 -3.360 1.00 33.51 C ATOM 559 HA LEU A 92 13.809 39.888 -1.657 1.00 0.00 H ATOM 560 HB2 LEU A 92 11.280 40.993 -0.358 1.00 0.00 H ATOM 561 HB3 LEU A 92 12.723 41.966 -0.724 1.00 0.00 H ATOM 562 HG LEU A 92 11.232 40.427 -2.847 1.00 0.00 H ATOM 563 HD21 LEU A 92 13.101 42.817 -2.958 1.00 0.00 H ATOM 564 HD22 LEU A 92 13.492 41.143 -3.423 1.00 0.00 H ATOM 565 HD23 LEU A 92 12.287 42.067 -4.353 1.00 0.00 H ATOM 566 HD11 LEU A 92 9.603 41.937 -1.787 1.00 0.00 H ATOM 567 HD12 LEU A 92 10.732 43.303 -1.960 1.00 0.00 H ATOM 568 HD13 LEU A 92 10.039 42.533 -3.408 1.00 0.00 H ATOM 569 H LEU A 92 11.174 38.758 -1.291 1.00 0.00 H ATOM 570 N THR A 93 12.849 39.333 1.472 1.00 12.94 N ATOM 571 CA THR A 93 13.365 39.215 2.846 1.00 13.87 C ATOM 572 C THR A 93 14.527 38.201 2.883 1.00 15.56 C ATOM 573 O THR A 93 15.565 38.474 3.489 1.00 15.13 O ATOM 574 CB THR A 93 12.249 38.816 3.828 1.00 17.17 C ATOM 575 OG1 THR A 93 11.214 39.814 3.759 1.00 19.56 O ATOM 576 CG2 THR A 93 12.763 38.723 5.276 1.00 13.79 C ATOM 577 HA THR A 93 13.740 40.189 3.162 1.00 0.00 H ATOM 578 HB THR A 93 11.874 37.832 3.547 1.00 0.00 H ATOM 579 HG1 THR A 93 10.858 39.855 2.836 1.00 0.00 H ATOM 580 HG23 THR A 93 13.547 37.968 5.334 1.00 0.00 H ATOM 581 HG21 THR A 93 13.164 39.690 5.581 1.00 0.00 H ATOM 582 HG22 THR A 93 11.940 38.445 5.935 1.00 0.00 H ATOM 583 H THR A 93 11.864 39.065 1.273 1.00 0.00 H ATOM 584 N LEU A 94 14.341 37.060 2.250 1.00 14.38 N ATOM 585 CA LEU A 94 15.375 36.018 2.238 1.00 15.11 C ATOM 586 C LEU A 94 16.651 36.488 1.518 1.00 17.79 C ATOM 587 O LEU A 94 17.728 36.276 2.062 1.00 16.87 O ATOM 588 CB LEU A 94 14.849 34.724 1.623 1.00 15.84 C ATOM 589 CG LEU A 94 15.766 33.507 1.676 1.00 21.92 C ATOM 590 CD1 LEU A 94 16.143 33.135 3.118 1.00 22.66 C ATOM 591 CD2 LEU A 94 15.095 32.326 0.977 1.00 26.09 C ATOM 592 HA LEU A 94 15.639 35.817 3.276 1.00 0.00 H ATOM 593 HB2 LEU A 94 13.927 34.464 2.143 1.00 0.00 H ATOM 594 HB3 LEU A 94 14.629 34.924 0.574 1.00 0.00 H ATOM 595 HG LEU A 94 16.691 33.759 1.157 1.00 0.00 H ATOM 596 HD21 LEU A 94 14.156 32.094 1.479 1.00 0.00 H ATOM 597 HD22 LEU A 94 14.898 32.585 -0.063 1.00 0.00 H ATOM 598 HD23 LEU A 94 15.754 31.459 1.018 1.00 0.00 H ATOM 599 HD11 LEU A 94 16.660 33.973 3.585 1.00 0.00 H ATOM 600 HD12 LEU A 94 15.238 32.906 3.681 1.00 0.00 H ATOM 601 HD13 LEU A 94 16.797 32.263 3.108 1.00 0.00 H ATOM 602 H LEU A 94 13.445 36.895 1.749 1.00 0.00 H ATOM 603 N ARG A 95 16.523 37.144 0.346 1.00 15.13 N ATOM 604 CA ARG A 95 17.652 37.696 -0.448 1.00 16.83 C ATOM 605 C ARG A 95 18.478 38.634 0.415 1.00 17.15 C ATOM 606 O ARG A 95 19.702 38.567 0.400 1.00 16.86 O ATOM 607 CB ARG A 95 17.124 38.603 -1.591 1.00 20.63 C ATOM 608 CG ARG A 95 16.783 37.902 -2.836 1.00 36.14 C ATOM 609 CD ARG A 95 15.705 38.626 -3.577 1.00 36.28 C ATOM 610 NE ARG A 95 15.950 40.041 -3.854 1.00 33.84 N ATOM 611 CZ ARG A 95 15.613 40.618 -5.003 1.00 53.92 C ATOM 612 NH1 ARG A 95 15.099 39.895 -5.989 1.00 38.63 N ATOM 613 NH2 ARG A 95 15.832 41.913 -5.193 1.00 42.92 N ATOM 614 HA ARG A 95 18.221 36.845 -0.823 1.00 0.00 H ATOM 615 HB2 ARG A 95 16.228 39.111 -1.233 1.00 0.00 H ATOM 616 HB3 ARG A 95 17.893 39.342 -1.819 1.00 0.00 H ATOM 617 HG2 ARG A 95 17.670 37.841 -3.466 1.00 0.00 H ATOM 618 HG3 ARG A 95 16.438 36.896 -2.597 1.00 0.00 H ATOM 619 HD2 ARG A 95 14.791 38.556 -2.987 1.00 0.00 H ATOM 620 HD3 ARG A 95 15.560 38.120 -4.532 1.00 0.00 H ATOM 621 HE ARG A 95 16.407 40.620 -3.121 1.00 0.00 H ATOM 622 HH12 ARG A 95 14.837 40.351 -6.886 1.00 0.00 H ATOM 623 HH11 ARG A 95 14.958 38.872 -5.865 1.00 0.00 H ATOM 624 HH22 ARG A 95 15.566 42.359 -6.094 1.00 0.00 H ATOM 625 HH21 ARG A 95 16.270 42.482 -4.441 1.00 0.00 H ATOM 626 H ARG A 95 15.562 37.273 -0.030 1.00 0.00 H ATOM 627 N GLN A 96 17.803 39.601 1.052 1.00 14.11 N ATOM 628 CA GLN A 96 18.440 40.616 1.884 1.00 14.80 C ATOM 629 C GLN A 96 19.154 39.984 3.070 1.00 16.29 C ATOM 630 O GLN A 96 20.282 40.380 3.394 1.00 13.53 O ATOM 631 CB GLN A 96 17.393 41.628 2.387 1.00 16.90 C ATOM 632 CG GLN A 96 16.942 42.602 1.296 1.00 33.90 C ATOM 633 CD GLN A 96 15.757 43.473 1.669 1.00 56.85 C ATOM 634 OE1 GLN A 96 15.260 44.238 0.841 1.00 57.36 O ATOM 635 NE2 GLN A 96 15.254 43.377 2.898 1.00 42.80 N ATOM 636 HA GLN A 96 19.179 41.134 1.273 1.00 0.00 H ATOM 637 HB2 GLN A 96 16.522 41.080 2.747 1.00 0.00 H ATOM 638 HB3 GLN A 96 17.826 42.200 3.208 1.00 0.00 H ATOM 639 HG2 GLN A 96 17.781 43.255 1.057 1.00 0.00 H ATOM 640 HG3 GLN A 96 16.672 42.022 0.414 1.00 0.00 H ATOM 641 HE22 GLN A 96 15.684 42.727 3.587 1.00 0.00 H ATOM 642 HE21 GLN A 96 14.431 43.952 3.169 1.00 0.00 H ATOM 643 H GLN A 96 16.769 39.629 0.947 1.00 0.00 H ATOM 644 N ALA A 97 18.489 39.021 3.731 1.00 14.84 N ATOM 645 CA ALA A 97 19.092 38.342 4.889 1.00 15.13 C ATOM 646 C ALA A 97 20.353 37.575 4.457 1.00 17.45 C ATOM 647 O ALA A 97 21.362 37.593 5.184 1.00 15.27 O ATOM 648 CB ALA A 97 18.091 37.374 5.510 1.00 15.20 C ATOM 649 HA ALA A 97 19.368 39.094 5.628 1.00 0.00 H ATOM 650 HB1 ALA A 97 17.210 37.925 5.837 1.00 0.00 H ATOM 651 HB2 ALA A 97 17.801 36.629 4.769 1.00 0.00 H ATOM 652 HB3 ALA A 97 18.550 36.878 6.366 1.00 0.00 H ATOM 653 H ALA A 97 17.534 38.752 3.419 1.00 0.00 H ATOM 654 N GLY A 98 20.267 36.885 3.303 1.00 14.85 N ATOM 655 CA GLY A 98 21.391 36.109 2.767 1.00 14.04 C ATOM 656 C GLY A 98 22.557 36.996 2.361 1.00 16.59 C ATOM 657 O GLY A 98 23.714 36.640 2.586 1.00 16.23 O ATOM 658 HA3 GLY A 98 21.050 35.554 1.893 1.00 0.00 H ATOM 659 HA2 GLY A 98 21.731 35.409 3.530 1.00 0.00 H ATOM 660 H GLY A 98 19.372 36.903 2.773 1.00 0.00 H ATOM 661 N ASP A 99 22.262 38.159 1.748 1.00 14.02 N ATOM 662 CA ASP A 99 23.310 39.128 1.365 1.00 14.13 C ATOM 663 C ASP A 99 24.030 39.611 2.637 1.00 16.45 C ATOM 664 O ASP A 99 25.264 39.693 2.680 1.00 15.80 O ATOM 665 CB ASP A 99 22.696 40.330 0.627 1.00 14.74 C ATOM 666 CG ASP A 99 22.483 40.111 -0.872 1.00 19.38 C ATOM 667 OD1 ASP A 99 23.131 39.211 -1.443 1.00 20.11 O ATOM 668 OD2 ASP A 99 21.669 40.823 -1.455 1.00 19.17 O ATOM 669 HA ASP A 99 24.019 38.642 0.695 1.00 0.00 H ATOM 670 HB2 ASP A 99 21.730 40.551 1.080 1.00 0.00 H ATOM 671 HB3 ASP A 99 23.360 41.185 0.756 1.00 0.00 H ATOM 672 H ASP A 99 21.268 38.381 1.538 1.00 0.00 H ATOM 673 N ASP A 100 23.258 39.856 3.691 1.00 13.66 N ATOM 674 CA ASP A 100 23.845 40.321 4.953 1.00 14.72 C ATOM 675 C ASP A 100 24.645 39.228 5.629 1.00 16.94 C ATOM 676 O ASP A 100 25.729 39.493 6.154 1.00 17.47 O ATOM 677 CB ASP A 100 22.779 40.870 5.900 1.00 16.71 C ATOM 678 CG ASP A 100 23.403 41.766 6.959 1.00 26.06 C ATOM 679 OD1 ASP A 100 23.765 42.912 6.626 1.00 27.89 O ATOM 680 OD2 ASP A 100 23.613 41.289 8.084 1.00 24.42 O ATOM 681 HA ASP A 100 24.527 41.135 4.706 1.00 0.00 H ATOM 682 HB2 ASP A 100 22.054 41.447 5.326 1.00 0.00 H ATOM 683 HB3 ASP A 100 22.273 40.038 6.389 1.00 0.00 H ATOM 684 H ASP A 100 22.230 39.717 3.621 1.00 0.00 H ATOM 685 N PHE A 101 24.129 37.994 5.592 1.00 12.29 N ATOM 686 CA PHE A 101 24.825 36.848 6.174 1.00 13.03 C ATOM 687 C PHE A 101 26.225 36.708 5.540 1.00 17.61 C ATOM 688 O PHE A 101 27.215 36.517 6.246 1.00 16.81 O ATOM 689 CB PHE A 101 24.002 35.560 5.908 1.00 13.89 C ATOM 690 CG PHE A 101 24.729 34.304 6.318 1.00 15.96 C ATOM 691 CD1 PHE A 101 24.647 33.828 7.621 1.00 18.75 C ATOM 692 CD2 PHE A 101 25.513 33.601 5.401 1.00 18.34 C ATOM 693 CE1 PHE A 101 25.340 32.669 7.999 1.00 20.01 C ATOM 694 CE2 PHE A 101 26.215 32.458 5.788 1.00 20.81 C ATOM 695 CZ PHE A 101 26.116 32.000 7.078 1.00 18.10 C ATOM 696 HA PHE A 101 24.934 36.998 7.248 1.00 0.00 H ATOM 697 HB2 PHE A 101 23.069 35.621 6.469 1.00 0.00 H ATOM 698 HB3 PHE A 101 23.781 35.502 4.842 1.00 0.00 H ATOM 699 HD2 PHE A 101 25.578 33.949 4.370 1.00 0.00 H ATOM 700 HE2 PHE A 101 26.840 31.931 5.067 1.00 0.00 H ATOM 701 HZ PHE A 101 26.655 31.101 7.376 1.00 0.00 H ATOM 702 HE1 PHE A 101 25.265 32.298 9.021 1.00 0.00 H ATOM 703 HD1 PHE A 101 24.040 34.359 8.354 1.00 0.00 H ATOM 704 H PHE A 101 23.206 37.846 5.136 1.00 0.00 H ATOM 705 N SER A 102 26.296 36.792 4.213 1.00 15.15 N ATOM 706 CA SER A 102 27.570 36.617 3.527 1.00 16.18 C ATOM 707 C SER A 102 28.551 37.750 3.687 1.00 21.76 C ATOM 708 O SER A 102 29.753 37.531 3.542 1.00 19.08 O ATOM 709 CB SER A 102 27.360 36.198 2.087 1.00 19.71 C ATOM 710 OG SER A 102 26.825 37.279 1.343 1.00 27.21 O ATOM 711 HA SER A 102 28.069 35.797 4.043 1.00 0.00 H ATOM 712 HB2 SER A 102 26.667 35.357 2.052 1.00 0.00 H ATOM 713 HB3 SER A 102 28.315 35.899 1.655 1.00 0.00 H ATOM 714 HG SER A 102 26.691 36.997 0.404 1.00 0.00 H ATOM 715 H SER A 102 25.435 36.984 3.662 1.00 0.00 H ATOM 716 N ARG A 103 28.049 38.940 4.073 1.00 19.57 N ATOM 717 CA ARG A 103 28.860 40.110 4.394 1.00 20.00 C ATOM 718 C ARG A 103 29.422 39.866 5.802 1.00 23.21 C ATOM 719 O ARG A 103 30.626 39.980 5.998 1.00 24.85 O ATOM 720 CB ARG A 103 27.974 41.373 4.407 1.00 22.27 C ATOM 721 CG ARG A 103 28.209 42.343 3.257 1.00 40.24 C ATOM 722 CD ARG A 103 26.935 42.770 2.531 1.00 54.42 C ATOM 723 NE ARG A 103 25.836 43.123 3.441 1.00 57.99 N ATOM 724 CZ ARG A 103 24.620 43.485 3.044 1.00 59.31 C ATOM 725 NH1 ARG A 103 24.336 43.578 1.752 1.00 45.21 N ATOM 726 NH2 ARG A 103 23.678 43.761 3.938 1.00 35.24 N ATOM 727 HA ARG A 103 29.653 40.257 3.661 1.00 0.00 H ATOM 728 HB2 ARG A 103 26.932 41.055 4.372 1.00 0.00 H ATOM 729 HB3 ARG A 103 28.159 41.905 5.340 1.00 0.00 H ATOM 730 HG2 ARG A 103 28.692 43.235 3.655 1.00 0.00 H ATOM 731 HG3 ARG A 103 28.871 41.864 2.535 1.00 0.00 H ATOM 732 HD2 ARG A 103 26.607 41.948 1.895 1.00 0.00 H ATOM 733 HD3 ARG A 103 27.164 43.637 1.912 1.00 0.00 H ATOM 734 HE ARG A 103 26.022 43.087 4.464 1.00 0.00 H ATOM 735 HH12 ARG A 103 23.383 43.862 1.448 1.00 0.00 H ATOM 736 HH11 ARG A 103 25.067 43.367 1.042 1.00 0.00 H ATOM 737 HH22 ARG A 103 22.728 44.044 3.622 1.00 0.00 H ATOM 738 HH21 ARG A 103 23.890 43.694 4.954 1.00 0.00 H ATOM 739 H ARG A 103 27.016 39.030 4.147 1.00 0.00 H ATOM 740 N ARG A 104 28.560 39.503 6.780 1.00 18.31 N ATOM 741 CA ARG A 104 29.002 39.255 8.157 1.00 18.12 C ATOM 742 C ARG A 104 29.978 38.058 8.244 1.00 21.18 C ATOM 743 O ARG A 104 31.024 38.142 8.919 1.00 19.93 O ATOM 744 CB ARG A 104 27.778 39.073 9.090 1.00 20.38 C ATOM 745 CG ARG A 104 28.068 38.563 10.516 1.00 26.63 C ATOM 746 CD ARG A 104 28.983 39.458 11.355 1.00 26.43 C ATOM 747 NE ARG A 104 29.319 38.811 12.628 1.00 29.31 N ATOM 748 CZ ARG A 104 30.314 37.943 12.797 1.00 43.23 C ATOM 749 NH1 ARG A 104 31.110 37.625 11.779 1.00 26.91 N ATOM 750 NH2 ARG A 104 30.519 37.384 13.981 1.00 31.56 N ATOM 751 HA ARG A 104 29.559 40.129 8.496 1.00 0.00 H ATOM 752 HB2 ARG A 104 27.282 40.040 9.178 1.00 0.00 H ATOM 753 HB3 ARG A 104 27.102 38.362 8.615 1.00 0.00 H ATOM 754 HG2 ARG A 104 27.117 38.467 11.040 1.00 0.00 H ATOM 755 HG3 ARG A 104 28.537 37.582 10.435 1.00 0.00 H ATOM 756 HD2 ARG A 104 28.475 40.401 11.556 1.00 0.00 H ATOM 757 HD3 ARG A 104 29.900 39.653 10.799 1.00 0.00 H ATOM 758 HE ARG A 104 28.738 39.047 13.458 1.00 0.00 H ATOM 759 HH12 ARG A 104 31.886 36.946 11.918 1.00 0.00 H ATOM 760 HH11 ARG A 104 30.956 38.055 10.845 1.00 0.00 H ATOM 761 HH22 ARG A 104 31.298 36.706 14.108 1.00 0.00 H ATOM 762 HH21 ARG A 104 29.901 37.623 14.783 1.00 0.00 H ATOM 763 H ARG A 104 27.552 39.396 6.548 1.00 0.00 H ATOM 764 N TYR A 105 29.630 36.950 7.568 1.00 15.89 N ATOM 765 CA TYR A 105 30.439 35.727 7.594 1.00 15.90 C ATOM 766 C TYR A 105 31.286 35.587 6.320 1.00 21.06 C ATOM 767 O TYR A 105 31.385 34.508 5.738 1.00 19.53 O ATOM 768 CB TYR A 105 29.534 34.510 7.864 1.00 15.98 C ATOM 769 CG TYR A 105 28.914 34.592 9.247 1.00 17.66 C ATOM 770 CD1 TYR A 105 27.616 35.076 9.424 1.00 19.13 C ATOM 771 CD2 TYR A 105 29.672 34.328 10.388 1.00 18.14 C ATOM 772 CE1 TYR A 105 27.056 35.198 10.700 1.00 18.01 C ATOM 773 CE2 TYR A 105 29.132 34.478 11.669 1.00 19.02 C ATOM 774 CZ TYR A 105 27.836 34.952 11.819 1.00 20.07 C ATOM 775 OH TYR A 105 27.299 35.099 13.077 1.00 19.09 O ATOM 776 HA TYR A 105 31.156 35.785 8.413 1.00 0.00 H ATOM 777 HB3 TYR A 105 30.129 33.600 7.793 1.00 0.00 H ATOM 778 HB2 TYR A 105 28.740 34.483 7.118 1.00 0.00 H ATOM 779 HD2 TYR A 105 30.705 33.998 10.279 1.00 0.00 H ATOM 780 HE2 TYR A 105 29.726 34.224 12.547 1.00 0.00 H ATOM 781 HE1 TYR A 105 26.011 35.485 10.814 1.00 0.00 H ATOM 782 HD1 TYR A 105 27.029 35.364 8.552 1.00 0.00 H ATOM 783 HH TYR A 105 26.374 35.445 13.002 1.00 0.00 H ATOM 784 H TYR A 105 28.755 36.960 7.006 1.00 0.00 H ATOM 785 N ARG A 106 31.883 36.699 5.889 1.00 21.40 N ATOM 786 CA ARG A 106 32.703 36.755 4.671 1.00 22.64 C ATOM 787 C ARG A 106 33.851 35.744 4.650 1.00 24.34 C ATOM 788 O ARG A 106 34.114 35.154 3.600 1.00 23.44 O ATOM 789 CB ARG A 106 33.176 38.184 4.357 1.00 26.63 C ATOM 790 CG ARG A 106 33.867 38.909 5.508 1.00 42.26 C ATOM 791 CD ARG A 106 34.278 40.324 5.117 1.00 62.82 C ATOM 792 NE ARG A 106 33.124 41.176 4.806 1.00 81.53 N ATOM 793 CZ ARG A 106 33.200 42.466 4.492 1.00102.96 C ATOM 794 NH1 ARG A 106 34.378 43.080 4.449 1.00 94.89 N ATOM 795 NH2 ARG A 106 32.099 43.155 4.223 1.00 90.78 N ATOM 796 HA ARG A 106 32.040 36.450 3.861 1.00 0.00 H ATOM 797 HB2 ARG A 106 33.876 38.132 3.523 1.00 0.00 H ATOM 798 HB3 ARG A 106 32.305 38.770 4.063 1.00 0.00 H ATOM 799 HG2 ARG A 106 33.183 38.961 6.355 1.00 0.00 H ATOM 800 HG3 ARG A 106 34.757 38.349 5.795 1.00 0.00 H ATOM 801 HD2 ARG A 106 34.922 40.272 4.239 1.00 0.00 H ATOM 802 HD3 ARG A 106 34.830 40.770 5.945 1.00 0.00 H ATOM 803 HE ARG A 106 32.180 40.740 4.833 1.00 0.00 H ATOM 804 HH12 ARG A 106 34.430 44.089 4.203 1.00 0.00 H ATOM 805 HH11 ARG A 106 35.248 42.551 4.662 1.00 0.00 H ATOM 806 HH22 ARG A 106 32.164 44.164 3.978 1.00 0.00 H ATOM 807 HH21 ARG A 106 31.171 42.687 4.257 1.00 0.00 H ATOM 808 H ARG A 106 31.762 37.571 6.443 1.00 0.00 H ATOM 809 N ARG A 107 34.474 35.498 5.809 1.00 22.42 N ATOM 810 CA ARG A 107 35.560 34.514 5.939 1.00 22.69 C ATOM 811 C ARG A 107 35.031 33.099 5.676 1.00 24.59 C ATOM 812 O ARG A 107 35.634 32.373 4.892 1.00 23.54 O ATOM 813 CB ARG A 107 36.225 34.600 7.318 1.00 25.26 C ATOM 814 CG ARG A 107 37.022 35.887 7.532 1.00 46.30 C ATOM 815 CD ARG A 107 37.669 35.929 8.910 1.00 60.93 C ATOM 816 NE ARG A 107 38.643 37.015 9.026 1.00 75.19 N ATOM 817 CZ ARG A 107 39.937 36.905 8.733 1.00 94.66 C ATOM 818 NH1 ARG A 107 40.431 35.752 8.297 1.00 82.34 N ATOM 819 NH2 ARG A 107 40.745 37.947 8.868 1.00 85.64 N ATOM 820 HA ARG A 107 36.319 34.745 5.192 1.00 0.00 H ATOM 821 HB2 ARG A 107 35.448 34.545 8.080 1.00 0.00 H ATOM 822 HB3 ARG A 107 36.902 33.753 7.428 1.00 0.00 H ATOM 823 HG2 ARG A 107 37.802 35.949 6.773 1.00 0.00 H ATOM 824 HG3 ARG A 107 36.350 36.739 7.431 1.00 0.00 H ATOM 825 HD2 ARG A 107 38.176 34.981 9.090 1.00 0.00 H ATOM 826 HD3 ARG A 107 36.891 36.072 9.660 1.00 0.00 H ATOM 827 HE ARG A 107 38.300 37.938 9.361 1.00 0.00 H ATOM 828 HH12 ARG A 107 41.443 35.672 8.070 1.00 0.00 H ATOM 829 HH11 ARG A 107 39.806 34.929 8.183 1.00 0.00 H ATOM 830 HH22 ARG A 107 41.755 37.855 8.638 1.00 0.00 H ATOM 831 HH21 ARG A 107 40.369 38.856 9.204 1.00 0.00 H ATOM 832 H ARG A 107 34.177 36.026 6.655 1.00 0.00 H ATOM 833 N ASP A 108 33.880 32.720 6.293 1.00 18.58 N ATOM 834 CA ASP A 108 33.254 31.409 6.078 1.00 17.91 C ATOM 835 C ASP A 108 32.821 31.288 4.622 1.00 21.17 C ATOM 836 O ASP A 108 32.907 30.206 4.056 1.00 20.81 O ATOM 837 CB ASP A 108 32.016 31.211 6.989 1.00 19.38 C ATOM 838 CG ASP A 108 32.339 30.906 8.439 1.00 31.71 C ATOM 839 OD1 ASP A 108 31.976 31.713 9.302 1.00 32.47 O ATOM 840 OD2 ASP A 108 32.914 29.835 8.707 1.00 42.67 O ATOM 841 HA ASP A 108 33.988 30.642 6.325 1.00 0.00 H ATOM 842 HB2 ASP A 108 31.422 32.124 6.958 1.00 0.00 H ATOM 843 HB3 ASP A 108 31.429 30.383 6.590 1.00 0.00 H ATOM 844 H ASP A 108 33.423 33.388 6.946 1.00 0.00 H ATOM 845 N PHE A 109 32.276 32.372 4.057 1.00 18.85 N ATOM 846 CA PHE A 109 31.830 32.406 2.659 1.00 19.38 C ATOM 847 C PHE A 109 33.018 32.165 1.694 1.00 23.67 C ATOM 848 O PHE A 109 32.902 31.346 0.769 1.00 20.53 O ATOM 849 CB PHE A 109 31.143 33.747 2.354 1.00 21.49 C ATOM 850 CG PHE A 109 30.584 33.838 0.952 1.00 24.05 C ATOM 851 CD1 PHE A 109 31.348 34.359 -0.085 1.00 29.33 C ATOM 852 CD2 PHE A 109 29.281 33.439 0.678 1.00 26.35 C ATOM 853 CE1 PHE A 109 30.826 34.452 -1.380 1.00 30.76 C ATOM 854 CE2 PHE A 109 28.753 33.562 -0.608 1.00 29.49 C ATOM 855 CZ PHE A 109 29.540 34.027 -1.634 1.00 28.30 C ATOM 856 HA PHE A 109 31.108 31.603 2.507 1.00 0.00 H ATOM 857 HB2 PHE A 109 30.324 33.883 3.061 1.00 0.00 H ATOM 858 HB3 PHE A 109 31.873 34.546 2.486 1.00 0.00 H ATOM 859 HD2 PHE A 109 28.665 33.025 1.476 1.00 0.00 H ATOM 860 HE2 PHE A 109 27.715 33.289 -0.799 1.00 0.00 H ATOM 861 HZ PHE A 109 29.147 34.060 -2.650 1.00 0.00 H ATOM 862 HE1 PHE A 109 31.436 34.860 -2.186 1.00 0.00 H ATOM 863 HD1 PHE A 109 32.365 34.699 0.112 1.00 0.00 H ATOM 864 H PHE A 109 32.163 33.229 4.635 1.00 0.00 H ATOM 865 N ALA A 110 34.134 32.900 1.899 1.00 22.14 N ATOM 866 CA ALA A 110 35.341 32.783 1.062 1.00 22.98 C ATOM 867 C ALA A 110 35.963 31.392 1.186 1.00 26.61 C ATOM 868 O ALA A 110 36.338 30.805 0.160 1.00 26.72 O ATOM 869 CB ALA A 110 36.353 33.872 1.423 1.00 24.26 C ATOM 870 HA ALA A 110 35.048 32.922 0.021 1.00 0.00 H ATOM 871 HB1 ALA A 110 35.904 34.852 1.261 1.00 0.00 H ATOM 872 HB2 ALA A 110 36.637 33.769 2.470 1.00 0.00 H ATOM 873 HB3 ALA A 110 37.237 33.768 0.794 1.00 0.00 H ATOM 874 H ALA A 110 34.141 33.581 2.685 1.00 0.00 H ATOM 875 N GLU A 111 36.011 30.829 2.416 1.00 22.95 N ATOM 876 CA GLU A 111 36.529 29.477 2.635 1.00 24.23 C ATOM 877 C GLU A 111 35.662 28.421 1.947 1.00 28.02 C ATOM 878 O GLU A 111 36.207 27.524 1.302 1.00 28.44 O ATOM 879 CB GLU A 111 36.661 29.150 4.127 1.00 26.09 C ATOM 880 CG GLU A 111 37.876 29.798 4.773 1.00 42.18 C ATOM 881 CD GLU A 111 37.974 29.704 6.285 1.00 67.29 C ATOM 882 OE1 GLU A 111 37.471 28.714 6.865 1.00 58.05 O ATOM 883 OE2 GLU A 111 38.585 30.615 6.889 1.00 67.72 O ATOM 884 HA GLU A 111 37.523 29.454 2.189 1.00 0.00 H ATOM 885 HB2 GLU A 111 35.766 29.501 4.640 1.00 0.00 H ATOM 886 HB3 GLU A 111 36.743 28.069 4.240 1.00 0.00 H ATOM 887 HG2 GLU A 111 38.765 29.326 4.354 1.00 0.00 H ATOM 888 HG3 GLU A 111 37.868 30.855 4.507 1.00 0.00 H ATOM 889 H GLU A 111 35.669 31.375 3.232 1.00 0.00 H ATOM 890 N MET A 112 34.316 28.542 2.056 1.00 23.35 N ATOM 891 CA MET A 112 33.386 27.600 1.421 1.00 23.08 C ATOM 892 C MET A 112 33.502 27.693 -0.108 1.00 27.79 C ATOM 893 O MET A 112 33.528 26.663 -0.763 1.00 29.08 O ATOM 894 CB MET A 112 31.931 27.859 1.895 1.00 24.77 C ATOM 895 CG MET A 112 30.887 26.884 1.315 1.00 27.96 C ATOM 896 SD MET A 112 31.136 25.163 1.845 1.00 32.42 S ATOM 897 CE MET A 112 30.615 25.250 3.556 1.00 29.03 C ATOM 898 HA MET A 112 33.652 26.587 1.721 1.00 0.00 H ATOM 899 HB2 MET A 112 31.907 27.777 2.982 1.00 0.00 H ATOM 900 HB3 MET A 112 31.652 28.871 1.602 1.00 0.00 H ATOM 901 HG2 MET A 112 30.944 26.923 0.227 1.00 0.00 H ATOM 902 HG3 MET A 112 29.897 27.206 1.637 1.00 0.00 H ATOM 903 HE1 MET A 112 31.242 25.964 4.090 1.00 0.00 H ATOM 904 HE2 MET A 112 29.575 25.573 3.602 1.00 0.00 H ATOM 905 HE3 MET A 112 30.712 24.266 4.014 1.00 0.00 H ATOM 906 H MET A 112 33.928 29.332 2.610 1.00 0.00 H ATOM 907 N SER A 113 33.629 28.916 -0.656 1.00 24.78 N ATOM 908 CA SER A 113 33.749 29.193 -2.095 1.00 25.97 C ATOM 909 C SER A 113 35.049 28.665 -2.751 1.00 36.12 C ATOM 910 O SER A 113 35.129 28.622 -3.985 1.00 37.42 O ATOM 911 CB SER A 113 33.617 30.691 -2.356 1.00 29.49 C ATOM 912 OG SER A 113 32.317 31.165 -2.039 1.00 37.00 O ATOM 913 HA SER A 113 32.932 28.643 -2.562 1.00 0.00 H ATOM 914 HB2 SER A 113 33.817 30.886 -3.410 1.00 0.00 H ATOM 915 HB3 SER A 113 34.346 31.222 -1.744 1.00 0.00 H ATOM 916 HG SER A 113 32.130 30.997 -1.081 1.00 0.00 H ATOM 917 H SER A 113 33.643 29.730 -0.009 1.00 0.00 H ATOM 918 N SER A 114 36.063 28.289 -1.950 1.00 33.73 N ATOM 919 CA SER A 114 37.334 27.810 -2.507 1.00 34.20 C ATOM 920 C SER A 114 37.699 26.372 -2.130 1.00 38.66 C ATOM 921 O SER A 114 38.632 25.811 -2.711 1.00 40.20 O ATOM 922 CB SER A 114 38.459 28.775 -2.148 1.00 37.66 C ATOM 923 OG SER A 114 38.701 28.746 -0.753 1.00 49.88 O ATOM 924 HA SER A 114 37.195 27.785 -3.588 1.00 0.00 H ATOM 925 HB2 SER A 114 38.176 29.785 -2.444 1.00 0.00 H ATOM 926 HB3 SER A 114 39.366 28.484 -2.677 1.00 0.00 H ATOM 927 HG SER A 114 37.878 29.012 -0.271 1.00 0.00 H ATOM 928 H SER A 114 35.944 28.339 -0.918 1.00 0.00 H ATOM 929 N GLN A 115 36.951 25.766 -1.198 1.00 34.22 N ATOM 930 CA GLN A 115 37.191 24.416 -0.675 1.00 34.34 C ATOM 931 C GLN A 115 36.257 23.328 -1.231 1.00 36.13 C ATOM 932 O GLN A 115 36.454 22.159 -0.889 1.00 36.67 O ATOM 933 CB GLN A 115 37.032 24.449 0.857 1.00 36.41 C ATOM 934 CG GLN A 115 38.138 23.776 1.645 1.00 67.39 C ATOM 935 CD GLN A 115 37.827 23.815 3.122 1.00 93.09 C ATOM 936 OE1 GLN A 115 36.991 23.055 3.631 1.00 90.46 O ATOM 937 NE2 GLN A 115 38.480 24.717 3.839 1.00 85.85 N ATOM 938 HA GLN A 115 38.198 24.147 -0.994 1.00 0.00 H ATOM 939 HB2 GLN A 115 36.986 25.493 1.167 1.00 0.00 H ATOM 940 HB3 GLN A 115 36.093 23.955 1.108 1.00 0.00 H ATOM 941 HG2 GLN A 115 38.229 22.738 1.324 1.00 0.00 H ATOM 942 HG3 GLN A 115 39.078 24.296 1.461 1.00 0.00 H ATOM 943 HE22 GLN A 115 39.176 25.340 3.382 1.00 0.00 H ATOM 944 HE21 GLN A 115 38.297 24.802 4.859 1.00 0.00 H ATOM 945 H GLN A 115 36.139 26.292 -0.816 1.00 0.00 H ATOM 946 N LEU A 116 35.210 23.691 -2.010 1.00 29.93 N ATOM 947 CA LEU A 116 34.226 22.711 -2.497 1.00 29.46 C ATOM 948 C LEU A 116 34.741 21.656 -3.502 1.00 30.75 C ATOM 949 O LEU A 116 34.323 20.479 -3.423 1.00 27.09 O ATOM 950 CB LEU A 116 32.962 23.400 -3.073 1.00 29.42 C ATOM 951 CG LEU A 116 32.016 24.059 -2.077 1.00 34.05 C ATOM 952 CD1 LEU A 116 30.934 24.831 -2.800 1.00 33.60 C ATOM 953 CD2 LEU A 116 31.388 23.040 -1.134 1.00 36.50 C ATOM 954 HA LEU A 116 33.982 22.152 -1.594 1.00 0.00 H ATOM 955 HB2 LEU A 116 33.296 24.170 -3.768 1.00 0.00 H ATOM 956 HB3 LEU A 116 32.394 22.644 -3.615 1.00 0.00 H ATOM 957 HG LEU A 116 32.608 24.750 -1.477 1.00 0.00 H ATOM 958 HD21 LEU A 116 30.822 22.311 -1.714 1.00 0.00 H ATOM 959 HD22 LEU A 116 32.174 22.531 -0.576 1.00 0.00 H ATOM 960 HD23 LEU A 116 30.721 23.552 -0.440 1.00 0.00 H ATOM 961 HD11 LEU A 116 31.392 25.604 -3.417 1.00 0.00 H ATOM 962 HD12 LEU A 116 30.364 24.150 -3.432 1.00 0.00 H ATOM 963 HD13 LEU A 116 30.270 25.293 -2.070 1.00 0.00 H ATOM 964 H LEU A 116 35.098 24.691 -2.272 1.00 0.00 H ATOM 965 N HIS A 117 35.549 22.110 -4.491 1.00 26.91 N ATOM 966 CA HIS A 117 36.128 21.306 -5.583 1.00 28.67 C ATOM 967 C HIS A 117 35.056 20.438 -6.218 1.00 29.59 C ATOM 968 O HIS A 117 35.189 19.220 -6.297 1.00 27.93 O ATOM 969 CB HIS A 117 37.316 20.458 -5.071 1.00 31.44 C ATOM 970 CG HIS A 117 38.403 21.265 -4.423 1.00 36.43 C ATOM 971 ND1 HIS A 117 38.808 21.015 -3.122 1.00 39.16 N ATOM 972 CD2 HIS A 117 39.127 22.299 -4.914 1.00 39.34 C ATOM 973 CE1 HIS A 117 39.764 21.898 -2.865 1.00 38.90 C ATOM 974 NE2 HIS A 117 39.988 22.695 -3.912 1.00 39.25 N ATOM 975 HA HIS A 117 36.515 21.979 -6.348 1.00 0.00 H ATOM 976 HB2 HIS A 117 36.938 19.742 -4.341 1.00 0.00 H ATOM 977 HB3 HIS A 117 37.745 19.921 -5.917 1.00 0.00 H ATOM 978 HD2 HIS A 117 39.045 22.735 -5.910 1.00 0.00 H ATOM 979 HE1 HIS A 117 40.299 21.964 -1.918 1.00 0.00 H ATOM 980 H HIS A 117 35.783 23.123 -4.478 1.00 0.00 H ATOM 981 N LEU A 118 33.947 21.071 -6.596 1.00 25.11 N ATOM 982 CA LEU A 118 32.784 20.396 -7.129 1.00 24.12 C ATOM 983 C LEU A 118 33.015 19.668 -8.444 1.00 23.56 C ATOM 984 O LEU A 118 33.668 20.195 -9.353 1.00 21.16 O ATOM 985 CB LEU A 118 31.688 21.456 -7.330 1.00 24.75 C ATOM 986 CG LEU A 118 30.423 21.430 -6.479 1.00 30.13 C ATOM 987 CD1 LEU A 118 30.671 21.000 -5.021 1.00 29.63 C ATOM 988 CD2 LEU A 118 29.706 22.777 -6.557 1.00 30.16 C ATOM 989 HA LEU A 118 32.506 19.623 -6.413 1.00 0.00 H ATOM 990 HB2 LEU A 118 32.157 22.426 -7.164 1.00 0.00 H ATOM 991 HB3 LEU A 118 31.368 21.382 -8.369 1.00 0.00 H ATOM 992 HG LEU A 118 29.775 20.660 -6.898 1.00 0.00 H ATOM 993 HD21 LEU A 118 30.368 23.561 -6.189 1.00 0.00 H ATOM 994 HD22 LEU A 118 29.436 22.984 -7.592 1.00 0.00 H ATOM 995 HD23 LEU A 118 28.805 22.743 -5.945 1.00 0.00 H ATOM 996 HD11 LEU A 118 31.095 19.996 -5.007 1.00 0.00 H ATOM 997 HD12 LEU A 118 31.366 21.696 -4.552 1.00 0.00 H ATOM 998 HD13 LEU A 118 29.727 21.005 -4.476 1.00 0.00 H ATOM 999 H LEU A 118 33.915 22.106 -6.503 1.00 0.00 H ATOM 1000 N THR A 119 32.419 18.469 -8.561 1.00 18.20 N ATOM 1001 CA THR A 119 32.410 17.722 -9.814 1.00 18.34 C ATOM 1002 C THR A 119 31.036 17.081 -9.874 1.00 19.25 C ATOM 1003 O THR A 119 30.415 16.946 -8.809 1.00 17.42 O ATOM 1004 CB THR A 119 33.529 16.631 -9.898 1.00 23.58 C ATOM 1005 OG1 THR A 119 33.192 15.557 -9.030 1.00 19.83 O ATOM 1006 CG2 THR A 119 34.926 17.158 -9.631 1.00 20.97 C ATOM 1007 HA THR A 119 32.612 18.388 -10.653 1.00 0.00 H ATOM 1008 HB THR A 119 33.567 16.277 -10.928 1.00 0.00 H ATOM 1009 HG1 THR A 119 33.122 15.894 -8.102 1.00 0.00 H ATOM 1010 HG23 THR A 119 35.141 17.977 -10.317 1.00 0.00 H ATOM 1011 HG21 THR A 119 34.987 17.517 -8.604 1.00 0.00 H ATOM 1012 HG22 THR A 119 35.650 16.357 -9.781 1.00 0.00 H ATOM 1013 H THR A 119 31.948 18.059 -7.729 1.00 0.00 H ATOM 1014 N PRO A 120 30.545 16.622 -11.056 1.00 17.91 N ATOM 1015 CA PRO A 120 29.219 15.992 -11.101 1.00 18.81 C ATOM 1016 C PRO A 120 29.043 14.784 -10.184 1.00 20.47 C ATOM 1017 O PRO A 120 27.964 14.627 -9.628 1.00 19.84 O ATOM 1018 CB PRO A 120 29.051 15.630 -12.584 1.00 21.38 C ATOM 1019 CG PRO A 120 29.889 16.625 -13.293 1.00 25.13 C ATOM 1020 CD PRO A 120 31.106 16.752 -12.422 1.00 21.17 C ATOM 1021 HA PRO A 120 28.452 16.668 -10.723 1.00 0.00 H ATOM 1022 HD3 PRO A 120 31.823 15.958 -12.630 1.00 0.00 H ATOM 1023 HD2 PRO A 120 31.588 17.720 -12.559 1.00 0.00 H ATOM 1024 HG3 PRO A 120 29.370 17.580 -13.378 1.00 0.00 H ATOM 1025 HG2 PRO A 120 30.158 16.269 -14.287 1.00 0.00 H ATOM 1026 HB2 PRO A 120 29.404 14.617 -12.778 1.00 0.00 H ATOM 1027 HB3 PRO A 120 28.008 15.715 -12.888 1.00 0.00 H ATOM 1028 N PHE A 121 30.098 13.973 -9.952 1.00 16.16 N ATOM 1029 CA PHE A 121 29.956 12.812 -9.059 1.00 16.40 C ATOM 1030 C PHE A 121 30.111 13.153 -7.568 1.00 17.85 C ATOM 1031 O PHE A 121 29.642 12.387 -6.717 1.00 18.39 O ATOM 1032 CB PHE A 121 30.983 11.721 -9.446 1.00 19.44 C ATOM 1033 CG PHE A 121 30.485 10.851 -10.578 1.00 21.89 C ATOM 1034 CD1 PHE A 121 30.795 11.153 -11.890 1.00 24.25 C ATOM 1035 CD2 PHE A 121 29.671 9.755 -10.327 1.00 25.52 C ATOM 1036 CE1 PHE A 121 30.305 10.375 -12.939 1.00 24.94 C ATOM 1037 CE2 PHE A 121 29.184 8.973 -11.381 1.00 27.35 C ATOM 1038 CZ PHE A 121 29.521 9.281 -12.674 1.00 24.66 C ATOM 1039 HA PHE A 121 28.937 12.450 -9.193 1.00 0.00 H ATOM 1040 HB2 PHE A 121 31.910 12.204 -9.754 1.00 0.00 H ATOM 1041 HB3 PHE A 121 31.174 11.092 -8.576 1.00 0.00 H ATOM 1042 HD2 PHE A 121 29.409 9.501 -9.300 1.00 0.00 H ATOM 1043 HE2 PHE A 121 28.538 8.120 -11.174 1.00 0.00 H ATOM 1044 HZ PHE A 121 29.165 8.655 -13.493 1.00 0.00 H ATOM 1045 HE1 PHE A 121 30.545 10.636 -13.970 1.00 0.00 H ATOM 1046 HD1 PHE A 121 31.431 12.011 -12.108 1.00 0.00 H ATOM 1047 H PHE A 121 31.013 14.170 -10.406 1.00 0.00 H ATOM 1048 N THR A 122 30.805 14.258 -7.242 1.00 14.78 N ATOM 1049 CA THR A 122 31.044 14.614 -5.819 1.00 13.93 C ATOM 1050 C THR A 122 30.066 15.664 -5.235 1.00 18.32 C ATOM 1051 O THR A 122 29.974 15.782 -4.006 1.00 17.07 O ATOM 1052 CB THR A 122 32.496 15.059 -5.574 1.00 18.76 C ATOM 1053 OG1 THR A 122 32.770 16.253 -6.320 1.00 20.32 O ATOM 1054 CG2 THR A 122 33.540 13.948 -5.861 1.00 16.12 C ATOM 1055 HA THR A 122 30.850 13.686 -5.282 1.00 0.00 H ATOM 1056 HB THR A 122 32.594 15.272 -4.510 1.00 0.00 H ATOM 1057 HG1 THR A 122 32.640 16.075 -7.285 1.00 0.00 H ATOM 1058 HG23 THR A 122 33.295 13.061 -5.276 1.00 0.00 H ATOM 1059 HG21 THR A 122 33.523 13.701 -6.922 1.00 0.00 H ATOM 1060 HG22 THR A 122 34.533 14.304 -5.586 1.00 0.00 H ATOM 1061 H THR A 122 31.179 14.871 -7.995 1.00 0.00 H ATOM 1062 N ALA A 123 29.364 16.433 -6.089 1.00 16.43 N ATOM 1063 CA ALA A 123 28.454 17.484 -5.589 1.00 15.57 C ATOM 1064 C ALA A 123 27.365 16.967 -4.639 1.00 18.13 C ATOM 1065 O ALA A 123 27.153 17.575 -3.589 1.00 17.10 O ATOM 1066 CB ALA A 123 27.826 18.235 -6.752 1.00 16.09 C ATOM 1067 HA ALA A 123 29.072 18.160 -4.998 1.00 0.00 H ATOM 1068 HB1 ALA A 123 28.611 18.698 -7.350 1.00 0.00 H ATOM 1069 HB2 ALA A 123 27.260 17.538 -7.370 1.00 0.00 H ATOM 1070 HB3 ALA A 123 27.158 19.006 -6.367 1.00 0.00 H ATOM 1071 H ALA A 123 29.464 16.285 -7.114 1.00 0.00 H ATOM 1072 N ARG A 124 26.712 15.831 -4.976 1.00 15.55 N ATOM 1073 CA ARG A 124 25.633 15.254 -4.159 1.00 16.00 C ATOM 1074 C ARG A 124 26.071 14.989 -2.732 1.00 18.95 C ATOM 1075 O ARG A 124 25.390 15.410 -1.781 1.00 16.94 O ATOM 1076 CB ARG A 124 25.039 13.980 -4.813 1.00 17.41 C ATOM 1077 CG ARG A 124 23.868 13.344 -4.036 1.00 30.40 C ATOM 1078 CD ARG A 124 22.537 14.028 -4.295 1.00 47.89 C ATOM 1079 NE ARG A 124 21.497 13.659 -3.332 1.00 66.96 N ATOM 1080 CZ ARG A 124 20.341 13.081 -3.651 1.00 93.36 C ATOM 1081 NH1 ARG A 124 20.059 12.794 -4.917 1.00 85.29 N ATOM 1082 NH2 ARG A 124 19.456 12.788 -2.707 1.00 86.36 N ATOM 1083 HA ARG A 124 24.842 16.002 -4.115 1.00 0.00 H ATOM 1084 HB2 ARG A 124 24.683 14.243 -5.809 1.00 0.00 H ATOM 1085 HB3 ARG A 124 25.834 13.239 -4.897 1.00 0.00 H ATOM 1086 HG2 ARG A 124 23.784 12.298 -4.331 1.00 0.00 H ATOM 1087 HG3 ARG A 124 24.087 13.403 -2.970 1.00 0.00 H ATOM 1088 HD2 ARG A 124 22.196 13.755 -5.294 1.00 0.00 H ATOM 1089 HD3 ARG A 124 22.687 15.107 -4.246 1.00 0.00 H ATOM 1090 HE ARG A 124 21.674 13.863 -2.328 1.00 0.00 H ATOM 1091 HH12 ARG A 124 19.154 12.342 -5.159 1.00 0.00 H ATOM 1092 HH11 ARG A 124 20.743 13.021 -5.667 1.00 0.00 H ATOM 1093 HH22 ARG A 124 18.554 12.336 -2.962 1.00 0.00 H ATOM 1094 HH21 ARG A 124 19.664 13.010 -1.712 1.00 0.00 H ATOM 1095 H ARG A 124 26.985 15.343 -5.853 1.00 0.00 H ATOM 1096 N GLY A 125 27.197 14.286 -2.596 1.00 17.00 N ATOM 1097 CA GLY A 125 27.769 13.943 -1.298 1.00 15.96 C ATOM 1098 C GLY A 125 28.218 15.163 -0.530 1.00 18.59 C ATOM 1099 O GLY A 125 27.985 15.246 0.686 1.00 17.47 O ATOM 1100 HA3 GLY A 125 28.628 13.291 -1.454 1.00 0.00 H ATOM 1101 HA2 GLY A 125 27.017 13.416 -0.711 1.00 0.00 H ATOM 1102 H GLY A 125 27.690 13.968 -3.455 1.00 0.00 H ATOM 1103 N ARG A 126 28.890 16.107 -1.223 1.00 15.25 N ATOM 1104 CA ARG A 126 29.341 17.353 -0.580 1.00 15.06 C ATOM 1105 C ARG A 126 28.136 18.142 -0.065 1.00 17.36 C ATOM 1106 O ARG A 126 28.174 18.631 1.059 1.00 17.32 O ATOM 1107 CB ARG A 126 30.158 18.248 -1.537 1.00 16.27 C ATOM 1108 CG ARG A 126 30.756 19.506 -0.841 1.00 16.98 C ATOM 1109 CD ARG A 126 31.612 19.188 0.402 1.00 24.08 C ATOM 1110 NE ARG A 126 32.736 18.342 0.001 1.00 25.23 N ATOM 1111 CZ ARG A 126 33.946 18.789 -0.306 1.00 40.87 C ATOM 1112 NH1 ARG A 126 34.256 20.068 -0.119 1.00 29.85 N ATOM 1113 NH2 ARG A 126 34.872 17.955 -0.752 1.00 25.58 N ATOM 1114 HA ARG A 126 29.990 17.066 0.247 1.00 0.00 H ATOM 1115 HB2 ARG A 126 30.977 17.658 -1.949 1.00 0.00 H ATOM 1116 HB3 ARG A 126 29.505 18.577 -2.346 1.00 0.00 H ATOM 1117 HG2 ARG A 126 31.381 20.033 -1.562 1.00 0.00 H ATOM 1118 HG3 ARG A 126 29.933 20.152 -0.535 1.00 0.00 H ATOM 1119 HD2 ARG A 126 31.005 18.664 1.140 1.00 0.00 H ATOM 1120 HD3 ARG A 126 31.988 20.115 0.834 1.00 0.00 H ATOM 1121 HE ARG A 126 32.574 17.316 -0.047 1.00 0.00 H ATOM 1122 HH12 ARG A 126 35.207 20.414 -0.361 1.00 0.00 H ATOM 1123 HH11 ARG A 126 33.548 20.723 0.270 1.00 0.00 H ATOM 1124 HH22 ARG A 126 35.820 18.310 -0.992 1.00 0.00 H ATOM 1125 HH21 ARG A 126 34.652 16.945 -0.863 1.00 0.00 H ATOM 1126 H ARG A 126 29.093 15.951 -2.231 1.00 0.00 H ATOM 1127 N PHE A 127 27.070 18.251 -0.872 1.00 15.02 N ATOM 1128 CA PHE A 127 25.862 18.975 -0.435 1.00 14.57 C ATOM 1129 C PHE A 127 25.312 18.358 0.864 1.00 18.87 C ATOM 1130 O PHE A 127 25.105 19.080 1.841 1.00 15.64 O ATOM 1131 CB PHE A 127 24.780 18.939 -1.506 1.00 15.92 C ATOM 1132 CG PHE A 127 23.519 19.677 -1.098 1.00 16.55 C ATOM 1133 CD1 PHE A 127 22.474 19.008 -0.467 1.00 18.41 C ATOM 1134 CD2 PHE A 127 23.361 21.029 -1.388 1.00 17.34 C ATOM 1135 CE1 PHE A 127 21.305 19.687 -0.103 1.00 18.91 C ATOM 1136 CE2 PHE A 127 22.177 21.700 -1.048 1.00 19.31 C ATOM 1137 CZ PHE A 127 21.163 21.023 -0.414 1.00 17.33 C ATOM 1138 HA PHE A 127 26.144 20.013 -0.258 1.00 0.00 H ATOM 1139 HB2 PHE A 127 25.173 19.397 -2.413 1.00 0.00 H ATOM 1140 HB3 PHE A 127 24.524 17.899 -1.707 1.00 0.00 H ATOM 1141 HD2 PHE A 127 24.165 21.572 -1.884 1.00 0.00 H ATOM 1142 HE2 PHE A 127 22.061 22.757 -1.286 1.00 0.00 H ATOM 1143 HZ PHE A 127 20.242 21.545 -0.156 1.00 0.00 H ATOM 1144 HE1 PHE A 127 20.509 19.161 0.425 1.00 0.00 H ATOM 1145 HD1 PHE A 127 22.567 17.943 -0.254 1.00 0.00 H ATOM 1146 H PHE A 127 27.096 17.819 -1.818 1.00 0.00 H ATOM 1147 N ALA A 128 25.063 17.026 0.868 1.00 17.67 N ATOM 1148 CA ALA A 128 24.513 16.342 2.035 1.00 17.71 C ATOM 1149 C ALA A 128 25.388 16.509 3.280 1.00 18.44 C ATOM 1150 O ALA A 128 24.855 16.737 4.370 1.00 17.69 O ATOM 1151 CB ALA A 128 24.287 14.859 1.727 1.00 18.76 C ATOM 1152 HA ALA A 128 23.554 16.810 2.259 1.00 0.00 H ATOM 1153 HB1 ALA A 128 23.587 14.764 0.897 1.00 0.00 H ATOM 1154 HB2 ALA A 128 25.237 14.396 1.458 1.00 0.00 H ATOM 1155 HB3 ALA A 128 23.877 14.365 2.608 1.00 0.00 H ATOM 1156 H ALA A 128 25.270 16.473 0.012 1.00 0.00 H ATOM 1157 N THR A 129 26.718 16.381 3.129 1.00 15.68 N ATOM 1158 CA THR A 129 27.676 16.483 4.255 1.00 15.43 C ATOM 1159 C THR A 129 27.650 17.880 4.903 1.00 18.45 C ATOM 1160 O THR A 129 27.644 17.991 6.133 1.00 16.15 O ATOM 1161 CB THR A 129 29.092 16.092 3.783 1.00 20.60 C ATOM 1162 OG1 THR A 129 29.076 14.695 3.454 1.00 20.02 O ATOM 1163 CG2 THR A 129 30.176 16.380 4.839 1.00 21.20 C ATOM 1164 HA THR A 129 27.370 15.780 5.030 1.00 0.00 H ATOM 1165 HB THR A 129 29.349 16.699 2.915 1.00 0.00 H ATOM 1166 HG1 THR A 129 28.417 14.535 2.733 1.00 0.00 H ATOM 1167 HG23 THR A 129 30.175 17.444 5.078 1.00 0.00 H ATOM 1168 HG21 THR A 129 29.966 15.804 5.740 1.00 0.00 H ATOM 1169 HG22 THR A 129 31.151 16.096 4.444 1.00 0.00 H ATOM 1170 H THR A 129 27.093 16.202 2.176 1.00 0.00 H ATOM 1171 N VAL A 130 27.694 18.926 4.076 1.00 14.33 N ATOM 1172 CA VAL A 130 27.685 20.321 4.567 1.00 14.49 C ATOM 1173 C VAL A 130 26.349 20.627 5.271 1.00 16.22 C ATOM 1174 O VAL A 130 26.345 21.227 6.340 1.00 16.50 O ATOM 1175 CB VAL A 130 28.009 21.351 3.450 1.00 17.48 C ATOM 1176 CG1 VAL A 130 27.739 22.799 3.927 1.00 17.29 C ATOM 1177 CG2 VAL A 130 29.460 21.204 2.956 1.00 17.21 C ATOM 1178 HA VAL A 130 28.488 20.421 5.298 1.00 0.00 H ATOM 1179 HB VAL A 130 27.345 21.141 2.612 1.00 0.00 H ATOM 1180 HG11 VAL A 130 26.689 22.900 4.200 1.00 0.00 H ATOM 1181 HG12 VAL A 130 28.363 23.017 4.793 1.00 0.00 H ATOM 1182 HG13 VAL A 130 27.976 23.495 3.122 1.00 0.00 H ATOM 1183 HG21 VAL A 130 30.144 21.368 3.788 1.00 0.00 H ATOM 1184 HG22 VAL A 130 29.606 20.201 2.556 1.00 0.00 H ATOM 1185 HG23 VAL A 130 29.653 21.940 2.175 1.00 0.00 H ATOM 1186 H VAL A 130 27.736 18.755 3.051 1.00 0.00 H ATOM 1187 N VAL A 131 25.240 20.231 4.671 1.00 14.71 N ATOM 1188 CA VAL A 131 23.902 20.467 5.244 1.00 15.42 C ATOM 1189 C VAL A 131 23.716 19.750 6.583 1.00 18.87 C ATOM 1190 O VAL A 131 23.183 20.331 7.540 1.00 17.76 O ATOM 1191 CB VAL A 131 22.793 20.206 4.195 1.00 19.24 C ATOM 1192 CG1 VAL A 131 21.413 20.230 4.833 1.00 20.19 C ATOM 1193 CG2 VAL A 131 22.871 21.254 3.070 1.00 18.48 C ATOM 1194 HA VAL A 131 23.810 21.523 5.497 1.00 0.00 H ATOM 1195 HB VAL A 131 22.955 19.213 3.775 1.00 0.00 H ATOM 1196 HG11 VAL A 131 21.355 19.457 5.600 1.00 0.00 H ATOM 1197 HG12 VAL A 131 21.240 21.206 5.286 1.00 0.00 H ATOM 1198 HG13 VAL A 131 20.658 20.043 4.069 1.00 0.00 H ATOM 1199 HG21 VAL A 131 22.737 22.250 3.493 1.00 0.00 H ATOM 1200 HG22 VAL A 131 23.845 21.192 2.584 1.00 0.00 H ATOM 1201 HG23 VAL A 131 22.086 21.060 2.339 1.00 0.00 H ATOM 1202 H VAL A 131 25.314 19.734 3.760 1.00 0.00 H ATOM 1203 N GLU A 132 24.217 18.514 6.676 1.00 17.29 N ATOM 1204 CA GLU A 132 24.176 17.748 7.936 1.00 18.25 C ATOM 1205 C GLU A 132 24.986 18.490 9.019 1.00 19.70 C ATOM 1206 O GLU A 132 24.504 18.613 10.142 1.00 20.14 O ATOM 1207 CB GLU A 132 24.679 16.287 7.696 1.00 20.26 C ATOM 1208 CG GLU A 132 25.336 15.582 8.878 1.00 37.00 C ATOM 1209 CD GLU A 132 24.521 15.346 10.133 1.00 73.49 C ATOM 1210 OE1 GLU A 132 23.293 15.127 10.017 1.00 84.35 O ATOM 1211 OE2 GLU A 132 25.121 15.351 11.233 1.00 67.88 O ATOM 1212 HA GLU A 132 23.150 17.671 8.295 1.00 0.00 H ATOM 1213 HB2 GLU A 132 23.821 15.689 7.391 1.00 0.00 H ATOM 1214 HB3 GLU A 132 25.406 16.318 6.885 1.00 0.00 H ATOM 1215 HG2 GLU A 132 25.669 14.606 8.524 1.00 0.00 H ATOM 1216 HG3 GLU A 132 26.202 16.178 9.166 1.00 0.00 H ATOM 1217 H GLU A 132 24.648 18.080 5.835 1.00 0.00 H ATOM 1218 N GLU A 133 26.175 19.018 8.671 1.00 17.45 N ATOM 1219 CA GLU A 133 27.009 19.796 9.590 1.00 17.54 C ATOM 1220 C GLU A 133 26.247 21.063 10.046 1.00 20.57 C ATOM 1221 O GLU A 133 26.192 21.386 11.241 1.00 17.56 O ATOM 1222 CB GLU A 133 28.341 20.201 8.929 1.00 19.19 C ATOM 1223 CG GLU A 133 29.153 21.161 9.794 1.00 30.12 C ATOM 1224 CD GLU A 133 30.491 21.675 9.292 1.00 57.23 C ATOM 1225 OE1 GLU A 133 30.799 21.504 8.089 1.00 55.14 O ATOM 1226 OE2 GLU A 133 31.218 22.290 10.107 1.00 49.24 O ATOM 1227 HA GLU A 133 27.233 19.171 10.454 1.00 0.00 H ATOM 1228 HB2 GLU A 133 28.932 19.302 8.754 1.00 0.00 H ATOM 1229 HB3 GLU A 133 28.126 20.685 7.976 1.00 0.00 H ATOM 1230 HG2 GLU A 133 28.525 22.034 9.973 1.00 0.00 H ATOM 1231 HG3 GLU A 133 29.344 20.652 10.739 1.00 0.00 H ATOM 1232 H GLU A 133 26.518 18.866 7.701 1.00 0.00 H ATOM 1233 N LEU A 134 25.646 21.760 9.082 1.00 15.56 N ATOM 1234 CA LEU A 134 24.917 23.008 9.350 1.00 15.27 C ATOM 1235 C LEU A 134 23.794 22.834 10.357 1.00 17.10 C ATOM 1236 O LEU A 134 23.655 23.646 11.264 1.00 18.29 O ATOM 1237 CB LEU A 134 24.390 23.574 8.005 1.00 14.75 C ATOM 1238 CG LEU A 134 23.572 24.866 8.056 1.00 17.45 C ATOM 1239 CD1 LEU A 134 24.399 26.019 8.636 1.00 16.18 C ATOM 1240 CD2 LEU A 134 23.107 25.235 6.640 1.00 17.45 C ATOM 1241 HA LEU A 134 25.608 23.717 9.807 1.00 0.00 H ATOM 1242 HB2 LEU A 134 25.254 23.759 7.367 1.00 0.00 H ATOM 1243 HB3 LEU A 134 23.762 22.807 7.551 1.00 0.00 H ATOM 1244 HG LEU A 134 22.709 24.700 8.702 1.00 0.00 H ATOM 1245 HD21 LEU A 134 23.977 25.381 6.000 1.00 0.00 H ATOM 1246 HD22 LEU A 134 22.491 24.430 6.240 1.00 0.00 H ATOM 1247 HD23 LEU A 134 22.525 26.156 6.679 1.00 0.00 H ATOM 1248 HD11 LEU A 134 24.715 25.765 9.648 1.00 0.00 H ATOM 1249 HD12 LEU A 134 25.277 26.185 8.011 1.00 0.00 H ATOM 1250 HD13 LEU A 134 23.792 26.924 8.660 1.00 0.00 H ATOM 1251 H LEU A 134 25.695 21.408 8.105 1.00 0.00 H ATOM 1252 N PHE A 135 23.019 21.779 10.228 1.00 15.04 N ATOM 1253 CA PHE A 135 21.866 21.559 11.105 1.00 15.76 C ATOM 1254 C PHE A 135 22.072 20.529 12.232 1.00 22.31 C ATOM 1255 O PHE A 135 21.097 20.107 12.853 1.00 22.26 O ATOM 1256 CB PHE A 135 20.635 21.212 10.266 1.00 16.27 C ATOM 1257 CG PHE A 135 20.194 22.349 9.365 1.00 15.29 C ATOM 1258 CD1 PHE A 135 20.290 22.237 7.984 1.00 15.72 C ATOM 1259 CD2 PHE A 135 19.607 23.498 9.899 1.00 15.02 C ATOM 1260 CE1 PHE A 135 19.886 23.285 7.149 1.00 15.56 C ATOM 1261 CE2 PHE A 135 19.207 24.549 9.066 1.00 16.54 C ATOM 1262 CZ PHE A 135 19.363 24.442 7.694 1.00 14.11 C ATOM 1263 HA PHE A 135 21.719 22.502 11.631 1.00 0.00 H ATOM 1264 HB2 PHE A 135 20.870 20.347 9.645 1.00 0.00 H ATOM 1265 HB3 PHE A 135 19.814 20.963 10.939 1.00 0.00 H ATOM 1266 HD2 PHE A 135 19.459 23.577 10.976 1.00 0.00 H ATOM 1267 HE2 PHE A 135 18.773 25.451 9.497 1.00 0.00 H ATOM 1268 HZ PHE A 135 19.074 25.269 7.045 1.00 0.00 H ATOM 1269 HE1 PHE A 135 19.984 23.188 6.068 1.00 0.00 H ATOM 1270 HD1 PHE A 135 20.685 21.321 7.545 1.00 0.00 H ATOM 1271 H PHE A 135 23.230 21.083 9.484 1.00 0.00 H ATOM 1272 N ARG A 136 23.324 20.150 12.502 1.00 20.96 N ATOM 1273 CA ARG A 136 23.659 19.131 13.519 1.00 23.01 C ATOM 1274 C ARG A 136 23.186 19.515 14.935 1.00 28.37 C ATOM 1275 O ARG A 136 22.754 18.639 15.683 1.00 28.82 O ATOM 1276 CB ARG A 136 25.170 18.852 13.522 1.00 23.51 C ATOM 1277 CG ARG A 136 25.530 17.528 14.221 1.00 41.62 C ATOM 1278 CD ARG A 136 26.846 16.958 13.724 1.00 58.68 C ATOM 1279 NE ARG A 136 27.981 17.361 14.557 1.00 72.91 N ATOM 1280 CZ ARG A 136 29.199 17.626 14.092 1.00 86.59 C ATOM 1281 NH1 ARG A 136 29.452 17.556 12.789 1.00 66.72 N ATOM 1282 NH2 ARG A 136 30.171 17.978 14.925 1.00 75.33 N ATOM 1283 HA ARG A 136 23.121 18.225 13.241 1.00 0.00 H ATOM 1284 HB2 ARG A 136 25.518 18.808 12.490 1.00 0.00 H ATOM 1285 HB3 ARG A 136 25.674 19.668 14.040 1.00 0.00 H ATOM 1286 HG2 ARG A 136 25.607 17.706 15.294 1.00 0.00 H ATOM 1287 HG3 ARG A 136 24.739 16.803 14.030 1.00 0.00 H ATOM 1288 HD2 ARG A 136 27.017 17.308 12.706 1.00 0.00 H ATOM 1289 HD3 ARG A 136 26.779 15.870 13.726 1.00 0.00 H ATOM 1290 HE ARG A 136 27.824 17.446 15.582 1.00 0.00 H ATOM 1291 HH12 ARG A 136 30.407 17.765 12.433 1.00 0.00 H ATOM 1292 HH11 ARG A 136 28.695 17.293 12.126 1.00 0.00 H ATOM 1293 HH22 ARG A 136 31.122 18.184 14.557 1.00 0.00 H ATOM 1294 HH21 ARG A 136 29.982 18.047 15.945 1.00 0.00 H ATOM 1295 H ARG A 136 24.101 20.593 11.971 1.00 0.00 H ATOM 1296 N ASP A 137 23.267 20.815 15.283 1.00 24.50 N ATOM 1297 CA ASP A 137 22.853 21.311 16.596 1.00 24.81 C ATOM 1298 C ASP A 137 21.409 21.856 16.625 1.00 29.29 C ATOM 1299 O ASP A 137 21.013 22.456 17.622 1.00 30.79 O ATOM 1300 CB ASP A 137 23.836 22.375 17.094 1.00 26.57 C ATOM 1301 CG ASP A 137 25.232 21.867 17.360 1.00 38.79 C ATOM 1302 OD1 ASP A 137 25.380 20.659 17.646 1.00 37.25 O ATOM 1303 OD2 ASP A 137 26.175 22.680 17.300 1.00 49.94 O ATOM 1304 HA ASP A 137 22.866 20.452 17.267 1.00 0.00 H ATOM 1305 HB2 ASP A 137 23.898 23.160 16.341 1.00 0.00 H ATOM 1306 HB3 ASP A 137 23.444 22.793 18.021 1.00 0.00 H ATOM 1307 H ASP A 137 23.639 21.494 14.589 1.00 0.00 H ATOM 1308 N GLY A 138 20.651 21.632 15.555 1.00 22.60 N ATOM 1309 CA GLY A 138 19.277 22.105 15.451 1.00 23.19 C ATOM 1310 C GLY A 138 19.117 23.228 14.438 1.00 24.84 C ATOM 1311 O GLY A 138 20.079 23.648 13.783 1.00 21.79 O ATOM 1312 HA3 GLY A 138 18.958 22.468 16.428 1.00 0.00 H ATOM 1313 HA2 GLY A 138 18.643 21.271 15.150 1.00 0.00 H ATOM 1314 H GLY A 138 21.056 21.097 14.760 1.00 0.00 H ATOM 1315 N VAL A 139 17.891 23.732 14.336 1.00 21.38 N ATOM 1316 CA VAL A 139 17.506 24.738 13.347 1.00 20.68 C ATOM 1317 C VAL A 139 17.130 26.054 14.006 1.00 23.20 C ATOM 1318 O VAL A 139 16.533 26.069 15.085 1.00 21.97 O ATOM 1319 CB VAL A 139 16.288 24.193 12.525 1.00 23.74 C ATOM 1320 CG1 VAL A 139 15.881 25.151 11.387 1.00 23.40 C ATOM 1321 CG2 VAL A 139 16.541 22.784 11.986 1.00 22.98 C ATOM 1322 HA VAL A 139 18.357 24.927 12.693 1.00 0.00 H ATOM 1323 HB VAL A 139 15.452 24.134 13.222 1.00 0.00 H ATOM 1324 HG11 VAL A 139 15.602 26.116 11.809 1.00 0.00 H ATOM 1325 HG12 VAL A 139 16.721 25.280 10.705 1.00 0.00 H ATOM 1326 HG13 VAL A 139 15.033 24.731 10.846 1.00 0.00 H ATOM 1327 HG21 VAL A 139 17.413 22.798 11.333 1.00 0.00 H ATOM 1328 HG22 VAL A 139 16.720 22.104 12.819 1.00 0.00 H ATOM 1329 HG23 VAL A 139 15.669 22.450 11.424 1.00 0.00 H ATOM 1330 H VAL A 139 17.164 23.391 14.997 1.00 0.00 H ATOM 1331 N ASN A 140 17.488 27.160 13.352 1.00 18.17 N ATOM 1332 CA ASN A 140 17.005 28.510 13.653 1.00 17.75 C ATOM 1333 C ASN A 140 16.949 29.260 12.317 1.00 18.47 C ATOM 1334 O ASN A 140 17.429 28.724 11.303 1.00 15.23 O ATOM 1335 CB ASN A 140 17.743 29.254 14.789 1.00 18.18 C ATOM 1336 CG ASN A 140 19.171 29.633 14.501 1.00 27.19 C ATOM 1337 OD1 ASN A 140 19.706 29.351 13.433 1.00 18.29 O ATOM 1338 ND2 ASN A 140 19.808 30.300 15.448 1.00 18.02 N ATOM 1339 HA ASN A 140 16.010 28.447 14.094 1.00 0.00 H ATOM 1340 HB2 ASN A 140 17.191 30.168 15.005 1.00 0.00 H ATOM 1341 HB3 ASN A 140 17.738 28.611 15.669 1.00 0.00 H ATOM 1342 HD22 ASN A 140 19.325 30.523 16.342 1.00 0.00 H ATOM 1343 HD21 ASN A 140 20.792 30.602 15.299 1.00 0.00 H ATOM 1344 H ASN A 140 18.163 27.056 12.567 1.00 0.00 H ATOM 1345 N TRP A 141 16.337 30.449 12.282 1.00 14.88 N ATOM 1346 CA TRP A 141 16.240 31.177 11.004 1.00 14.97 C ATOM 1347 C TRP A 141 17.595 31.442 10.330 1.00 16.03 C ATOM 1348 O TRP A 141 17.698 31.329 9.103 1.00 14.12 O ATOM 1349 CB TRP A 141 15.443 32.477 11.174 1.00 13.76 C ATOM 1350 CG TRP A 141 13.976 32.244 11.417 1.00 13.56 C ATOM 1351 CD1 TRP A 141 13.270 32.584 12.534 1.00 16.81 C ATOM 1352 CD2 TRP A 141 13.036 31.622 10.520 1.00 13.34 C ATOM 1353 NE1 TRP A 141 11.950 32.194 12.400 1.00 15.87 N ATOM 1354 CE2 TRP A 141 11.780 31.603 11.175 1.00 16.58 C ATOM 1355 CE3 TRP A 141 13.135 31.052 9.230 1.00 13.71 C ATOM 1356 CZ2 TRP A 141 10.636 31.042 10.588 1.00 15.37 C ATOM 1357 CZ3 TRP A 141 11.996 30.514 8.647 1.00 15.03 C ATOM 1358 CH2 TRP A 141 10.753 30.554 9.305 1.00 15.26 C ATOM 1359 HA TRP A 141 15.701 30.515 10.326 1.00 0.00 H ATOM 1360 HB2 TRP A 141 15.852 33.027 12.022 1.00 0.00 H ATOM 1361 HB3 TRP A 141 15.554 33.073 10.268 1.00 0.00 H ATOM 1362 HE1 TRP A 141 11.206 32.328 13.114 1.00 0.00 H ATOM 1363 HD1 TRP A 141 13.686 33.090 13.405 1.00 0.00 H ATOM 1364 HZ2 TRP A 141 9.690 30.994 11.127 1.00 0.00 H ATOM 1365 HH2 TRP A 141 9.864 30.191 8.789 1.00 0.00 H ATOM 1366 HZ3 TRP A 141 12.066 30.052 7.662 1.00 0.00 H ATOM 1367 HE3 TRP A 141 14.089 31.035 8.703 1.00 0.00 H ATOM 1368 H TRP A 141 15.933 30.856 13.149 1.00 0.00 H ATOM 1369 N GLY A 142 18.610 31.791 11.123 1.00 12.90 N ATOM 1370 CA GLY A 142 19.943 32.086 10.591 1.00 12.43 C ATOM 1371 C GLY A 142 20.566 30.901 9.863 1.00 15.40 C ATOM 1372 O GLY A 142 21.202 31.057 8.814 1.00 12.77 O ATOM 1373 HA3 GLY A 142 20.594 32.367 11.419 1.00 0.00 H ATOM 1374 HA2 GLY A 142 19.863 32.920 9.894 1.00 0.00 H ATOM 1375 H GLY A 142 18.450 31.855 12.149 1.00 0.00 H ATOM 1376 N ARG A 143 20.359 29.703 10.399 1.00 14.24 N ATOM 1377 CA ARG A 143 20.871 28.479 9.773 1.00 13.49 C ATOM 1378 C ARG A 143 20.117 28.177 8.488 1.00 16.29 C ATOM 1379 O ARG A 143 20.713 27.667 7.543 1.00 15.38 O ATOM 1380 CB ARG A 143 20.831 27.317 10.754 1.00 12.93 C ATOM 1381 CG ARG A 143 22.003 27.412 11.739 1.00 13.90 C ATOM 1382 CD ARG A 143 21.839 26.527 12.971 1.00 21.85 C ATOM 1383 NE ARG A 143 23.043 26.624 13.809 1.00 25.76 N ATOM 1384 CZ ARG A 143 23.306 27.623 14.651 1.00 44.13 C ATOM 1385 NH1 ARG A 143 22.424 28.604 14.828 1.00 24.69 N ATOM 1386 NH2 ARG A 143 24.445 27.643 15.330 1.00 36.86 N ATOM 1387 HA ARG A 143 21.915 28.633 9.502 1.00 0.00 H ATOM 1388 HB2 ARG A 143 19.892 27.345 11.307 1.00 0.00 H ATOM 1389 HB3 ARG A 143 20.899 26.379 10.204 1.00 0.00 H ATOM 1390 HG2 ARG A 143 22.914 27.115 11.220 1.00 0.00 H ATOM 1391 HG3 ARG A 143 22.094 28.447 12.068 1.00 0.00 H ATOM 1392 HD2 ARG A 143 21.696 25.492 12.659 1.00 0.00 H ATOM 1393 HD3 ARG A 143 20.971 26.856 13.542 1.00 0.00 H ATOM 1394 HE ARG A 143 23.741 25.856 13.740 1.00 0.00 H ATOM 1395 HH12 ARG A 143 22.635 29.381 15.487 1.00 0.00 H ATOM 1396 HH11 ARG A 143 21.524 28.594 14.308 1.00 0.00 H ATOM 1397 HH22 ARG A 143 24.646 28.425 15.986 1.00 0.00 H ATOM 1398 HH21 ARG A 143 25.137 26.877 15.207 1.00 0.00 H ATOM 1399 H ARG A 143 19.820 29.631 11.285 1.00 0.00 H ATOM 1400 N ILE A 144 18.834 28.559 8.414 1.00 12.81 N ATOM 1401 CA ILE A 144 18.069 28.398 7.171 1.00 11.73 C ATOM 1402 C ILE A 144 18.615 29.389 6.130 1.00 14.68 C ATOM 1403 O ILE A 144 18.791 29.015 4.973 1.00 13.31 O ATOM 1404 CB ILE A 144 16.542 28.539 7.399 1.00 15.24 C ATOM 1405 CG1 ILE A 144 16.018 27.347 8.239 1.00 16.94 C ATOM 1406 CG2 ILE A 144 15.791 28.665 6.052 1.00 14.08 C ATOM 1407 CD1 ILE A 144 14.577 27.456 8.698 1.00 19.28 C ATOM 1408 HA ILE A 144 18.200 27.385 6.791 1.00 0.00 H ATOM 1409 HB ILE A 144 16.352 29.455 7.958 1.00 0.00 H ATOM 1410 HG12 ILE A 144 16.111 26.444 7.636 1.00 0.00 H ATOM 1411 HG13 ILE A 144 16.647 27.258 9.125 1.00 0.00 H ATOM 1412 HD11 ILE A 144 14.461 28.345 9.318 1.00 0.00 H ATOM 1413 HD12 ILE A 144 13.925 27.531 7.828 1.00 0.00 H ATOM 1414 HD13 ILE A 144 14.313 26.571 9.277 1.00 0.00 H ATOM 1415 HG21 ILE A 144 16.149 29.546 5.519 1.00 0.00 H ATOM 1416 HG22 ILE A 144 15.975 27.775 5.450 1.00 0.00 H ATOM 1417 HG23 ILE A 144 14.722 28.763 6.241 1.00 0.00 H ATOM 1418 H ILE A 144 18.374 28.975 9.249 1.00 0.00 H ATOM 1419 N VAL A 145 18.898 30.637 6.544 1.00 11.98 N ATOM 1420 CA VAL A 145 19.490 31.638 5.630 1.00 11.35 C ATOM 1421 C VAL A 145 20.859 31.100 5.133 1.00 14.42 C ATOM 1422 O VAL A 145 21.168 31.182 3.930 1.00 11.94 O ATOM 1423 CB VAL A 145 19.629 33.015 6.323 1.00 13.37 C ATOM 1424 CG1 VAL A 145 20.495 33.976 5.489 1.00 12.82 C ATOM 1425 CG2 VAL A 145 18.251 33.631 6.589 1.00 11.92 C ATOM 1426 HA VAL A 145 18.834 31.792 4.773 1.00 0.00 H ATOM 1427 HB VAL A 145 20.128 32.855 7.279 1.00 0.00 H ATOM 1428 HG11 VAL A 145 21.490 33.549 5.362 1.00 0.00 H ATOM 1429 HG12 VAL A 145 20.034 34.124 4.512 1.00 0.00 H ATOM 1430 HG13 VAL A 145 20.572 34.933 6.004 1.00 0.00 H ATOM 1431 HG21 VAL A 145 17.725 33.764 5.644 1.00 0.00 H ATOM 1432 HG22 VAL A 145 17.677 32.968 7.236 1.00 0.00 H ATOM 1433 HG23 VAL A 145 18.375 34.598 7.076 1.00 0.00 H ATOM 1434 H VAL A 145 18.696 30.904 7.529 1.00 0.00 H ATOM 1435 N ALA A 146 21.663 30.543 6.076 1.00 12.14 N ATOM 1436 CA ALA A 146 22.991 29.964 5.745 1.00 12.25 C ATOM 1437 C ALA A 146 22.852 28.814 4.722 1.00 14.45 C ATOM 1438 O ALA A 146 23.702 28.667 3.844 1.00 14.89 O ATOM 1439 CB ALA A 146 23.673 29.468 7.022 1.00 12.18 C ATOM 1440 HA ALA A 146 23.607 30.741 5.292 1.00 0.00 H ATOM 1441 HB1 ALA A 146 23.805 30.303 7.710 1.00 0.00 H ATOM 1442 HB2 ALA A 146 23.053 28.704 7.490 1.00 0.00 H ATOM 1443 HB3 ALA A 146 24.646 29.045 6.772 1.00 0.00 H ATOM 1444 H ALA A 146 21.338 30.521 7.064 1.00 0.00 H ATOM 1445 N PHE A 147 21.799 27.996 4.854 1.00 12.99 N ATOM 1446 CA PHE A 147 21.482 26.897 3.919 1.00 12.16 C ATOM 1447 C PHE A 147 21.243 27.459 2.511 1.00 13.67 C ATOM 1448 O PHE A 147 21.774 26.927 1.538 1.00 13.29 O ATOM 1449 CB PHE A 147 20.238 26.148 4.421 1.00 13.26 C ATOM 1450 CG PHE A 147 19.516 25.262 3.439 1.00 14.50 C ATOM 1451 CD1 PHE A 147 18.361 25.701 2.802 1.00 17.24 C ATOM 1452 CD2 PHE A 147 19.912 23.940 3.248 1.00 15.16 C ATOM 1453 CE1 PHE A 147 17.629 24.849 1.970 1.00 17.48 C ATOM 1454 CE2 PHE A 147 19.167 23.080 2.426 1.00 16.89 C ATOM 1455 CZ PHE A 147 18.049 23.547 1.772 1.00 15.59 C ATOM 1456 HA PHE A 147 22.320 26.202 3.872 1.00 0.00 H ATOM 1457 HB2 PHE A 147 20.549 25.523 5.258 1.00 0.00 H ATOM 1458 HB3 PHE A 147 19.526 26.895 4.772 1.00 0.00 H ATOM 1459 HD2 PHE A 147 20.810 23.569 3.742 1.00 0.00 H ATOM 1460 HE2 PHE A 147 19.474 22.041 2.305 1.00 0.00 H ATOM 1461 HZ PHE A 147 17.496 22.891 1.099 1.00 0.00 H ATOM 1462 HE1 PHE A 147 16.727 25.211 1.477 1.00 0.00 H ATOM 1463 HD1 PHE A 147 18.021 26.725 2.954 1.00 0.00 H ATOM 1464 H PHE A 147 21.165 28.144 5.665 1.00 0.00 H ATOM 1465 N PHE A 148 20.444 28.530 2.392 1.00 11.46 N ATOM 1466 CA PHE A 148 20.209 29.139 1.066 1.00 10.46 C ATOM 1467 C PHE A 148 21.520 29.697 0.490 1.00 14.14 C ATOM 1468 O PHE A 148 21.788 29.556 -0.703 1.00 13.57 O ATOM 1469 CB PHE A 148 19.150 30.255 1.161 1.00 11.46 C ATOM 1470 CG PHE A 148 17.746 29.680 1.146 1.00 11.97 C ATOM 1471 CD1 PHE A 148 17.058 29.452 2.331 1.00 14.19 C ATOM 1472 CD2 PHE A 148 17.133 29.333 -0.055 1.00 15.11 C ATOM 1473 CE1 PHE A 148 15.769 28.896 2.318 1.00 15.08 C ATOM 1474 CE2 PHE A 148 15.843 28.773 -0.072 1.00 17.30 C ATOM 1475 CZ PHE A 148 15.168 28.574 1.115 1.00 15.51 C ATOM 1476 HA PHE A 148 19.836 28.364 0.396 1.00 0.00 H ATOM 1477 HB2 PHE A 148 19.298 30.809 2.088 1.00 0.00 H ATOM 1478 HB3 PHE A 148 19.267 30.930 0.313 1.00 0.00 H ATOM 1479 HD2 PHE A 148 17.660 29.498 -0.995 1.00 0.00 H ATOM 1480 HE2 PHE A 148 15.378 28.497 -1.019 1.00 0.00 H ATOM 1481 HZ PHE A 148 14.159 28.162 1.104 1.00 0.00 H ATOM 1482 HE1 PHE A 148 15.242 28.718 3.256 1.00 0.00 H ATOM 1483 HD1 PHE A 148 17.525 29.708 3.282 1.00 0.00 H ATOM 1484 H PHE A 148 19.988 28.933 3.236 1.00 0.00 H ATOM 1485 N GLU A 149 22.317 30.346 1.335 1.00 11.43 N ATOM 1486 CA GLU A 149 23.595 30.924 0.910 1.00 11.62 C ATOM 1487 C GLU A 149 24.548 29.818 0.457 1.00 14.44 C ATOM 1488 O GLU A 149 25.267 29.981 -0.534 1.00 13.85 O ATOM 1489 CB GLU A 149 24.215 31.803 2.003 1.00 12.54 C ATOM 1490 CG GLU A 149 23.664 33.242 1.986 1.00 15.50 C ATOM 1491 CD GLU A 149 23.994 34.001 0.711 1.00 26.36 C ATOM 1492 OE1 GLU A 149 25.194 34.173 0.409 1.00 19.14 O ATOM 1493 OE2 GLU A 149 23.054 34.357 -0.028 1.00 23.44 O ATOM 1494 HA GLU A 149 23.408 31.580 0.060 1.00 0.00 H ATOM 1495 HB2 GLU A 149 24.000 31.357 2.974 1.00 0.00 H ATOM 1496 HB3 GLU A 149 25.294 31.840 1.852 1.00 0.00 H ATOM 1497 HG2 GLU A 149 22.580 33.198 2.091 1.00 0.00 H ATOM 1498 HG3 GLU A 149 24.088 33.785 2.831 1.00 0.00 H ATOM 1499 H GLU A 149 22.024 30.446 2.328 1.00 0.00 H ATOM 1500 N PHE A 150 24.502 28.691 1.142 1.00 11.48 N ATOM 1501 CA PHE A 150 25.339 27.545 0.755 1.00 12.07 C ATOM 1502 C PHE A 150 24.906 27.008 -0.620 1.00 15.48 C ATOM 1503 O PHE A 150 25.748 26.770 -1.495 1.00 14.43 O ATOM 1504 CB PHE A 150 25.290 26.450 1.818 1.00 13.07 C ATOM 1505 CG PHE A 150 25.948 25.181 1.317 1.00 14.80 C ATOM 1506 CD1 PHE A 150 27.293 25.169 0.958 1.00 17.93 C ATOM 1507 CD2 PHE A 150 25.218 24.003 1.200 1.00 15.83 C ATOM 1508 CE1 PHE A 150 27.887 24.000 0.451 1.00 18.95 C ATOM 1509 CE2 PHE A 150 25.822 22.828 0.735 1.00 18.34 C ATOM 1510 CZ PHE A 150 27.148 22.837 0.369 1.00 17.50 C ATOM 1511 HA PHE A 150 26.373 27.881 0.678 1.00 0.00 H ATOM 1512 HB2 PHE A 150 25.812 26.795 2.710 1.00 0.00 H ATOM 1513 HB3 PHE A 150 24.250 26.239 2.066 1.00 0.00 H ATOM 1514 HD2 PHE A 150 24.163 23.994 1.474 1.00 0.00 H ATOM 1515 HE2 PHE A 150 25.242 21.908 0.663 1.00 0.00 H ATOM 1516 HZ PHE A 150 27.618 21.920 0.012 1.00 0.00 H ATOM 1517 HE1 PHE A 150 28.927 24.012 0.124 1.00 0.00 H ATOM 1518 HD1 PHE A 150 27.891 26.074 1.071 1.00 0.00 H ATOM 1519 H PHE A 150 23.868 28.612 1.963 1.00 0.00 H ATOM 1520 N GLY A 151 23.604 26.839 -0.808 1.00 12.43 N ATOM 1521 CA GLY A 151 23.080 26.412 -2.106 1.00 13.24 C ATOM 1522 C GLY A 151 23.477 27.382 -3.209 1.00 17.63 C ATOM 1523 O GLY A 151 23.869 26.951 -4.299 1.00 15.31 O ATOM 1524 HA3 GLY A 151 21.993 26.362 -2.051 1.00 0.00 H ATOM 1525 HA2 GLY A 151 23.476 25.424 -2.342 1.00 0.00 H ATOM 1526 H GLY A 151 22.946 27.012 -0.022 1.00 0.00 H ATOM 1527 N GLY A 152 23.447 28.688 -2.898 1.00 15.62 N ATOM 1528 CA GLY A 152 23.881 29.742 -3.816 1.00 14.88 C ATOM 1529 C GLY A 152 25.341 29.614 -4.229 1.00 17.98 C ATOM 1530 O GLY A 152 25.661 29.754 -5.419 1.00 16.49 O ATOM 1531 HA3 GLY A 152 23.742 30.706 -3.327 1.00 0.00 H ATOM 1532 HA2 GLY A 152 23.262 29.698 -4.712 1.00 0.00 H ATOM 1533 H GLY A 152 23.098 28.964 -1.958 1.00 0.00 H ATOM 1534 N VAL A 153 26.239 29.325 -3.256 1.00 14.73 N ATOM 1535 CA VAL A 153 27.687 29.116 -3.505 1.00 15.11 C ATOM 1536 C VAL A 153 27.850 27.890 -4.418 1.00 15.60 C ATOM 1537 O VAL A 153 28.629 27.960 -5.368 1.00 15.30 O ATOM 1538 CB VAL A 153 28.473 28.949 -2.173 1.00 20.30 C ATOM 1539 CG1 VAL A 153 29.899 28.425 -2.422 1.00 21.29 C ATOM 1540 CG2 VAL A 153 28.525 30.265 -1.419 1.00 20.03 C ATOM 1541 HA VAL A 153 28.105 29.993 -3.999 1.00 0.00 H ATOM 1542 HB VAL A 153 27.944 28.213 -1.568 1.00 0.00 H ATOM 1543 HG11 VAL A 153 29.847 27.455 -2.917 1.00 0.00 H ATOM 1544 HG12 VAL A 153 30.438 29.129 -3.056 1.00 0.00 H ATOM 1545 HG13 VAL A 153 30.418 28.321 -1.469 1.00 0.00 H ATOM 1546 HG21 VAL A 153 29.023 31.015 -2.034 1.00 0.00 H ATOM 1547 HG22 VAL A 153 27.510 30.594 -1.194 1.00 0.00 H ATOM 1548 HG23 VAL A 153 29.079 30.128 -0.490 1.00 0.00 H ATOM 1549 H VAL A 153 25.893 29.245 -2.278 1.00 0.00 H ATOM 1550 N MET A 154 27.103 26.783 -4.141 1.00 12.95 N ATOM 1551 CA MET A 154 27.172 25.564 -4.964 1.00 14.36 C ATOM 1552 C MET A 154 26.750 25.835 -6.401 1.00 17.51 C ATOM 1553 O MET A 154 27.381 25.318 -7.326 1.00 14.50 O ATOM 1554 CB MET A 154 26.375 24.409 -4.354 1.00 18.41 C ATOM 1555 CG MET A 154 27.190 23.703 -3.263 1.00 25.80 C ATOM 1556 SD MET A 154 26.768 21.991 -2.960 1.00 34.95 S ATOM 1557 CE MET A 154 26.949 21.264 -4.505 1.00 30.76 C ATOM 1558 HA MET A 154 28.217 25.254 -4.981 1.00 0.00 H ATOM 1559 HB2 MET A 154 25.456 24.800 -3.918 1.00 0.00 H ATOM 1560 HB3 MET A 154 26.128 23.692 -5.137 1.00 0.00 H ATOM 1561 HG2 MET A 154 27.049 24.252 -2.332 1.00 0.00 H ATOM 1562 HG3 MET A 154 28.240 23.743 -3.552 1.00 0.00 H ATOM 1563 HE1 MET A 154 26.271 21.743 -5.212 1.00 0.00 H ATOM 1564 HE2 MET A 154 27.977 21.387 -4.845 1.00 0.00 H ATOM 1565 HE3 MET A 154 26.713 20.202 -4.435 1.00 0.00 H ATOM 1566 H MET A 154 26.463 26.800 -3.321 1.00 0.00 H ATOM 1567 N CYS A 155 25.705 26.662 -6.592 1.00 13.94 N ATOM 1568 CA CYS A 155 25.248 27.021 -7.948 1.00 13.36 C ATOM 1569 C CYS A 155 26.244 27.903 -8.698 1.00 15.67 C ATOM 1570 O CYS A 155 26.511 27.652 -9.881 1.00 14.31 O ATOM 1571 CB CYS A 155 23.847 27.628 -7.910 1.00 14.28 C ATOM 1572 SG CYS A 155 22.575 26.462 -7.363 1.00 18.12 S ATOM 1573 HA CYS A 155 25.192 26.095 -8.521 1.00 0.00 H ATOM 1574 HB2 CYS A 155 23.592 27.973 -8.912 1.00 0.00 H ATOM 1575 HB3 CYS A 155 23.856 28.477 -7.226 1.00 0.00 H ATOM 1576 HG CYS A 155 22.873 26.023 -6.089 1.00 0.00 H ATOM 1577 H CYS A 155 25.210 27.056 -5.767 1.00 0.00 H ATOM 1578 N VAL A 156 26.773 28.943 -8.034 1.00 12.27 N ATOM 1579 CA VAL A 156 27.748 29.861 -8.638 1.00 13.54 C ATOM 1580 C VAL A 156 29.020 29.056 -9.058 1.00 18.60 C ATOM 1581 O VAL A 156 29.500 29.205 -10.191 1.00 17.10 O ATOM 1582 CB VAL A 156 28.068 31.072 -7.713 1.00 16.00 C ATOM 1583 CG1 VAL A 156 29.337 31.827 -8.153 1.00 15.18 C ATOM 1584 CG2 VAL A 156 26.869 32.029 -7.615 1.00 15.56 C ATOM 1585 HA VAL A 156 27.315 30.302 -9.535 1.00 0.00 H ATOM 1586 HB VAL A 156 28.265 30.665 -6.721 1.00 0.00 H ATOM 1587 HG11 VAL A 156 30.189 31.148 -8.127 1.00 0.00 H ATOM 1588 HG12 VAL A 156 29.201 32.203 -9.167 1.00 0.00 H ATOM 1589 HG13 VAL A 156 29.515 32.662 -7.475 1.00 0.00 H ATOM 1590 HG21 VAL A 156 26.624 32.405 -8.608 1.00 0.00 H ATOM 1591 HG22 VAL A 156 26.012 31.495 -7.205 1.00 0.00 H ATOM 1592 HG23 VAL A 156 27.124 32.864 -6.962 1.00 0.00 H ATOM 1593 H VAL A 156 26.480 29.106 -7.050 1.00 0.00 H ATOM 1594 N GLU A 157 29.512 28.185 -8.156 1.00 16.51 N ATOM 1595 CA GLU A 157 30.677 27.321 -8.405 1.00 17.04 C ATOM 1596 C GLU A 157 30.405 26.369 -9.567 1.00 19.30 C ATOM 1597 O GLU A 157 31.299 26.152 -10.389 1.00 19.92 O ATOM 1598 CB GLU A 157 31.025 26.487 -7.147 1.00 19.36 C ATOM 1599 CG GLU A 157 31.803 27.235 -6.076 1.00 39.09 C ATOM 1600 CD GLU A 157 33.161 27.779 -6.485 1.00 71.04 C ATOM 1601 OE1 GLU A 157 34.154 27.020 -6.401 1.00 83.52 O ATOM 1602 OE2 GLU A 157 33.231 28.962 -6.893 1.00 58.64 O ATOM 1603 HA GLU A 157 31.517 27.969 -8.653 1.00 0.00 H ATOM 1604 HB2 GLU A 157 30.093 26.136 -6.705 1.00 0.00 H ATOM 1605 HB3 GLU A 157 31.621 25.631 -7.463 1.00 0.00 H ATOM 1606 HG2 GLU A 157 31.193 28.077 -5.749 1.00 0.00 H ATOM 1607 HG3 GLU A 157 31.957 26.553 -5.240 1.00 0.00 H ATOM 1608 H GLU A 157 29.042 28.119 -7.231 1.00 0.00 H ATOM 1609 N SER A 158 29.186 25.800 -9.637 1.00 15.93 N ATOM 1610 CA SER A 158 28.790 24.892 -10.724 1.00 15.90 C ATOM 1611 C SER A 158 28.892 25.591 -12.089 1.00 20.63 C ATOM 1612 O SER A 158 29.405 25.009 -13.051 1.00 18.38 O ATOM 1613 CB SER A 158 27.390 24.339 -10.499 1.00 18.72 C ATOM 1614 OG SER A 158 27.376 23.445 -9.394 1.00 23.00 O ATOM 1615 HA SER A 158 29.483 24.051 -10.723 1.00 0.00 H ATOM 1616 HB2 SER A 158 27.066 23.808 -11.394 1.00 0.00 H ATOM 1617 HB3 SER A 158 26.706 25.164 -10.301 1.00 0.00 H ATOM 1618 HG SER A 158 27.666 23.926 -8.579 1.00 0.00 H ATOM 1619 H SER A 158 28.495 26.012 -8.890 1.00 0.00 H ATOM 1620 N VAL A 159 28.433 26.848 -12.166 1.00 17.39 N ATOM 1621 CA VAL A 159 28.524 27.642 -13.412 1.00 16.73 C ATOM 1622 C VAL A 159 29.995 27.996 -13.703 1.00 21.93 C ATOM 1623 O VAL A 159 30.430 27.867 -14.858 1.00 20.90 O ATOM 1624 CB VAL A 159 27.595 28.895 -13.399 1.00 18.91 C ATOM 1625 CG1 VAL A 159 27.796 29.752 -14.664 1.00 18.51 C ATOM 1626 CG2 VAL A 159 26.132 28.465 -13.265 1.00 18.54 C ATOM 1627 HA VAL A 159 28.155 27.026 -14.232 1.00 0.00 H ATOM 1628 HB VAL A 159 27.862 29.508 -12.538 1.00 0.00 H ATOM 1629 HG11 VAL A 159 28.832 30.087 -14.713 1.00 0.00 H ATOM 1630 HG12 VAL A 159 27.563 29.155 -15.546 1.00 0.00 H ATOM 1631 HG13 VAL A 159 27.134 30.617 -14.624 1.00 0.00 H ATOM 1632 HG21 VAL A 159 25.863 27.829 -14.108 1.00 0.00 H ATOM 1633 HG22 VAL A 159 26.001 27.912 -12.335 1.00 0.00 H ATOM 1634 HG23 VAL A 159 25.494 29.349 -13.257 1.00 0.00 H ATOM 1635 H VAL A 159 28.000 27.279 -11.324 1.00 0.00 H ATOM 1636 N ASN A 160 30.768 28.378 -12.657 1.00 20.12 N ATOM 1637 CA ASN A 160 32.201 28.679 -12.779 1.00 22.39 C ATOM 1638 C ASN A 160 33.016 27.497 -13.320 1.00 28.93 C ATOM 1639 O ASN A 160 33.967 27.714 -14.076 1.00 28.54 O ATOM 1640 CB ASN A 160 32.803 29.113 -11.439 1.00 22.01 C ATOM 1641 CG ASN A 160 32.433 30.505 -11.018 1.00 31.30 C ATOM 1642 OD1 ASN A 160 32.576 30.897 -9.859 1.00 29.78 O ATOM 1643 ND2 ASN A 160 32.032 31.307 -11.960 1.00 24.88 N ATOM 1644 HA ASN A 160 32.261 29.498 -13.496 1.00 0.00 H ATOM 1645 HB2 ASN A 160 32.460 28.421 -10.670 1.00 0.00 H ATOM 1646 HB3 ASN A 160 33.889 29.057 -11.518 1.00 0.00 H ATOM 1647 HD22 ASN A 160 31.919 30.953 -12.931 1.00 0.00 H ATOM 1648 HD21 ASN A 160 31.825 32.303 -11.742 1.00 0.00 H ATOM 1649 H ASN A 160 30.324 28.462 -11.720 1.00 0.00 H ATOM 1650 N ARG A 161 32.642 26.269 -12.934 1.00 25.04 N ATOM 1651 CA ARG A 161 33.329 25.029 -13.333 1.00 26.14 C ATOM 1652 C ARG A 161 32.797 24.420 -14.629 1.00 31.66 C ATOM 1653 O ARG A 161 33.159 23.293 -14.976 1.00 31.32 O ATOM 1654 CB ARG A 161 33.288 24.007 -12.188 1.00 24.55 C ATOM 1655 CG ARG A 161 34.168 24.451 -11.041 1.00 38.63 C ATOM 1656 CD ARG A 161 34.446 23.368 -10.029 1.00 50.01 C ATOM 1657 NE ARG A 161 35.388 23.869 -9.031 1.00 65.77 N ATOM 1658 CZ ARG A 161 36.515 23.263 -8.677 1.00 84.24 C ATOM 1659 NH1 ARG A 161 36.837 22.086 -9.202 1.00 76.63 N ATOM 1660 NH2 ARG A 161 37.315 23.814 -7.776 1.00 71.77 N ATOM 1661 HA ARG A 161 34.364 25.302 -13.540 1.00 0.00 H ATOM 1662 HB2 ARG A 161 32.262 23.907 -11.834 1.00 0.00 H ATOM 1663 HB3 ARG A 161 33.639 23.043 -12.556 1.00 0.00 H ATOM 1664 HG2 ARG A 161 35.119 24.791 -11.450 1.00 0.00 H ATOM 1665 HG3 ARG A 161 33.676 25.279 -10.531 1.00 0.00 H ATOM 1666 HD2 ARG A 161 34.875 22.501 -10.532 1.00 0.00 H ATOM 1667 HD3 ARG A 161 33.516 23.079 -9.539 1.00 0.00 H ATOM 1668 HE ARG A 161 35.158 24.769 -8.562 1.00 0.00 H ATOM 1669 HH12 ARG A 161 37.721 21.616 -8.921 1.00 0.00 H ATOM 1670 HH11 ARG A 161 36.205 21.635 -9.894 1.00 0.00 H ATOM 1671 HH22 ARG A 161 38.197 23.336 -7.502 1.00 0.00 H ATOM 1672 HH21 ARG A 161 37.061 24.725 -7.343 1.00 0.00 H ATOM 1673 H ARG A 161 31.812 26.187 -12.312 1.00 0.00 H ATOM 1674 N GLU A 162 31.920 25.154 -15.336 1.00 29.52 N ATOM 1675 CA GLU A 162 31.288 24.697 -16.573 1.00 29.87 C ATOM 1676 C GLU A 162 30.445 23.441 -16.376 1.00 33.83 C ATOM 1677 O GLU A 162 30.439 22.528 -17.206 1.00 32.26 O ATOM 1678 CB GLU A 162 32.293 24.607 -17.742 1.00 32.01 C ATOM 1679 CG GLU A 162 32.268 25.879 -18.573 1.00 49.46 C ATOM 1680 CD GLU A 162 33.588 26.521 -18.954 1.00 77.83 C ATOM 1681 OE1 GLU A 162 34.543 25.782 -19.286 1.00 66.49 O ATOM 1682 OE2 GLU A 162 33.635 27.772 -19.003 1.00 77.87 O ATOM 1683 HA GLU A 162 30.572 25.465 -16.867 1.00 0.00 H ATOM 1684 HB2 GLU A 162 33.296 24.461 -17.341 1.00 0.00 H ATOM 1685 HB3 GLU A 162 32.030 23.760 -18.376 1.00 0.00 H ATOM 1686 HG2 GLU A 162 31.743 25.648 -19.500 1.00 0.00 H ATOM 1687 HG3 GLU A 162 31.700 26.620 -18.010 1.00 0.00 H ATOM 1688 H GLU A 162 31.677 26.102 -14.983 1.00 0.00 H ATOM 1689 N MET A 163 29.730 23.397 -15.236 1.00 29.20 N ATOM 1690 CA MET A 163 28.795 22.324 -14.929 1.00 29.29 C ATOM 1691 C MET A 163 27.455 22.958 -14.588 1.00 30.27 C ATOM 1692 O MET A 163 26.793 22.529 -13.648 1.00 29.06 O ATOM 1693 CB MET A 163 29.269 21.396 -13.788 1.00 32.46 C ATOM 1694 CG MET A 163 30.728 21.486 -13.462 1.00 37.51 C ATOM 1695 SD MET A 163 31.159 20.571 -11.963 1.00 42.60 S ATOM 1696 CE MET A 163 30.640 21.664 -10.726 1.00 40.04 C ATOM 1697 HA MET A 163 28.716 21.680 -15.805 1.00 0.00 H ATOM 1698 HB2 MET A 163 28.706 21.649 -12.890 1.00 0.00 H ATOM 1699 HB3 MET A 163 29.049 20.368 -14.075 1.00 0.00 H ATOM 1700 HG2 MET A 163 30.991 22.534 -13.320 1.00 0.00 H ATOM 1701 HG3 MET A 163 31.299 21.079 -14.297 1.00 0.00 H ATOM 1702 HE1 MET A 163 31.179 22.606 -10.826 1.00 0.00 H ATOM 1703 HE2 MET A 163 29.570 21.844 -10.828 1.00 0.00 H ATOM 1704 HE3 MET A 163 30.845 21.228 -9.748 1.00 0.00 H ATOM 1705 H MET A 163 29.851 24.164 -14.544 1.00 0.00 H ATOM 1706 N SER A 164 27.018 23.957 -15.387 1.00 26.90 N ATOM 1707 CA SER A 164 25.705 24.609 -15.205 1.00 25.82 C ATOM 1708 C SER A 164 24.504 23.643 -15.064 1.00 28.51 C ATOM 1709 O SER A 164 23.636 23.958 -14.245 1.00 25.12 O ATOM 1710 CB SER A 164 25.446 25.655 -16.287 1.00 27.55 C ATOM 1711 OG SER A 164 25.348 25.075 -17.574 1.00 34.85 O ATOM 1712 HA SER A 164 25.779 25.106 -14.238 1.00 0.00 H ATOM 1713 HB2 SER A 164 26.266 26.373 -16.286 1.00 0.00 H ATOM 1714 HB3 SER A 164 24.513 26.171 -16.061 1.00 0.00 H ATOM 1715 HG SER A 164 26.195 24.609 -17.790 1.00 0.00 H ATOM 1716 H SER A 164 27.632 24.280 -16.162 1.00 0.00 H ATOM 1717 N PRO A 165 24.416 22.443 -15.735 1.00 27.13 N ATOM 1718 CA PRO A 165 23.253 21.564 -15.493 1.00 26.24 C ATOM 1719 C PRO A 165 23.084 21.118 -14.036 1.00 26.50 C ATOM 1720 O PRO A 165 21.961 20.835 -13.641 1.00 25.07 O ATOM 1721 CB PRO A 165 23.509 20.366 -16.426 1.00 28.60 C ATOM 1722 CG PRO A 165 24.397 20.901 -17.494 1.00 32.91 C ATOM 1723 CD PRO A 165 25.301 21.849 -16.770 1.00 28.99 C ATOM 1724 HA PRO A 165 22.319 22.089 -15.693 1.00 0.00 H ATOM 1725 HD3 PRO A 165 26.137 21.319 -16.312 1.00 0.00 H ATOM 1726 HD2 PRO A 165 25.683 22.616 -17.444 1.00 0.00 H ATOM 1727 HG3 PRO A 165 23.817 21.423 -18.255 1.00 0.00 H ATOM 1728 HG2 PRO A 165 24.969 20.099 -17.961 1.00 0.00 H ATOM 1729 HB2 PRO A 165 24.001 19.557 -15.887 1.00 0.00 H ATOM 1730 HB3 PRO A 165 22.573 20.002 -16.850 1.00 0.00 H ATOM 1731 N LEU A 166 24.177 21.110 -13.230 1.00 23.51 N ATOM 1732 CA LEU A 166 24.146 20.763 -11.785 1.00 23.60 C ATOM 1733 C LEU A 166 23.263 21.713 -10.967 1.00 23.36 C ATOM 1734 O LEU A 166 22.784 21.341 -9.893 1.00 22.52 O ATOM 1735 CB LEU A 166 25.544 20.789 -11.163 1.00 24.80 C ATOM 1736 CG LEU A 166 26.358 19.508 -11.121 1.00 32.84 C ATOM 1737 CD1 LEU A 166 27.596 19.711 -10.256 1.00 33.71 C ATOM 1738 CD2 LEU A 166 25.547 18.319 -10.576 1.00 34.98 C ATOM 1739 HA LEU A 166 23.731 19.756 -11.748 1.00 0.00 H ATOM 1740 HB2 LEU A 166 26.128 21.520 -11.722 1.00 0.00 H ATOM 1741 HB3 LEU A 166 25.429 21.128 -10.133 1.00 0.00 H ATOM 1742 HG LEU A 166 26.645 19.274 -12.146 1.00 0.00 H ATOM 1743 HD21 LEU A 166 25.214 18.542 -9.562 1.00 0.00 H ATOM 1744 HD22 LEU A 166 24.680 18.149 -11.215 1.00 0.00 H ATOM 1745 HD23 LEU A 166 26.174 17.427 -10.566 1.00 0.00 H ATOM 1746 HD11 LEU A 166 28.204 20.512 -10.677 1.00 0.00 H ATOM 1747 HD12 LEU A 166 27.291 19.978 -9.244 1.00 0.00 H ATOM 1748 HD13 LEU A 166 28.175 18.788 -10.230 1.00 0.00 H ATOM 1749 H LEU A 166 25.094 21.363 -13.651 1.00 0.00 H ATOM 1750 N VAL A 167 23.088 22.952 -11.450 1.00 17.85 N ATOM 1751 CA VAL A 167 22.246 23.951 -10.785 1.00 16.86 C ATOM 1752 C VAL A 167 20.843 23.354 -10.568 1.00 21.02 C ATOM 1753 O VAL A 167 20.305 23.432 -9.459 1.00 19.64 O ATOM 1754 CB VAL A 167 22.222 25.282 -11.587 1.00 18.96 C ATOM 1755 CG1 VAL A 167 21.105 26.210 -11.090 1.00 17.82 C ATOM 1756 CG2 VAL A 167 23.592 25.980 -11.524 1.00 18.94 C ATOM 1757 HA VAL A 167 22.661 24.202 -9.809 1.00 0.00 H ATOM 1758 HB VAL A 167 22.011 25.043 -12.629 1.00 0.00 H ATOM 1759 HG11 VAL A 167 20.142 25.714 -11.210 1.00 0.00 H ATOM 1760 HG12 VAL A 167 21.268 26.441 -10.037 1.00 0.00 H ATOM 1761 HG13 VAL A 167 21.115 27.132 -11.671 1.00 0.00 H ATOM 1762 HG21 VAL A 167 23.840 26.198 -10.485 1.00 0.00 H ATOM 1763 HG22 VAL A 167 24.352 25.325 -11.950 1.00 0.00 H ATOM 1764 HG23 VAL A 167 23.551 26.909 -12.092 1.00 0.00 H ATOM 1765 H VAL A 167 23.570 23.215 -12.333 1.00 0.00 H ATOM 1766 N ASP A 168 20.283 22.700 -11.615 1.00 18.22 N ATOM 1767 CA ASP A 168 18.970 22.058 -11.516 1.00 18.68 C ATOM 1768 C ASP A 168 18.958 20.944 -10.454 1.00 20.59 C ATOM 1769 O ASP A 168 17.989 20.821 -9.711 1.00 20.06 O ATOM 1770 CB ASP A 168 18.536 21.521 -12.895 1.00 21.13 C ATOM 1771 CG ASP A 168 18.276 22.627 -13.902 1.00 33.02 C ATOM 1772 OD1 ASP A 168 17.850 23.730 -13.480 1.00 33.52 O ATOM 1773 OD2 ASP A 168 18.478 22.388 -15.103 1.00 39.43 O ATOM 1774 HA ASP A 168 18.250 22.810 -11.194 1.00 0.00 H ATOM 1775 HB2 ASP A 168 19.325 20.876 -13.282 1.00 0.00 H ATOM 1776 HB3 ASP A 168 17.622 20.941 -12.771 1.00 0.00 H ATOM 1777 H ASP A 168 20.801 22.653 -12.516 1.00 0.00 H ATOM 1778 N ASN A 169 20.039 20.164 -10.355 1.00 16.96 N ATOM 1779 CA ASN A 169 20.122 19.137 -9.310 1.00 17.10 C ATOM 1780 C ASN A 169 20.212 19.774 -7.936 1.00 19.18 C ATOM 1781 O ASN A 169 19.513 19.331 -7.033 1.00 18.62 O ATOM 1782 CB ASN A 169 21.327 18.233 -9.540 1.00 15.68 C ATOM 1783 CG ASN A 169 21.213 17.509 -10.853 1.00 31.95 C ATOM 1784 OD1 ASN A 169 21.680 17.972 -11.876 1.00 33.11 O ATOM 1785 ND2 ASN A 169 20.438 16.468 -10.872 1.00 24.00 N ATOM 1786 HA ASN A 169 19.215 18.535 -9.359 1.00 0.00 H ATOM 1787 HB2 ASN A 169 22.233 18.839 -9.544 1.00 0.00 H ATOM 1788 HB3 ASN A 169 21.384 17.502 -8.733 1.00 0.00 H ATOM 1789 HD22 ASN A 169 20.051 16.091 -9.983 1.00 0.00 H ATOM 1790 HD21 ASN A 169 20.204 16.011 -11.776 1.00 0.00 H ATOM 1791 H ASN A 169 20.827 20.286 -11.023 1.00 0.00 H ATOM 1792 N ILE A 170 21.045 20.840 -7.778 1.00 16.63 N ATOM 1793 CA ILE A 170 21.164 21.540 -6.479 1.00 15.34 C ATOM 1794 C ILE A 170 19.787 22.086 -6.060 1.00 19.16 C ATOM 1795 O ILE A 170 19.386 21.889 -4.916 1.00 17.83 O ATOM 1796 CB ILE A 170 22.277 22.640 -6.502 1.00 18.12 C ATOM 1797 CG1 ILE A 170 23.674 21.998 -6.722 1.00 17.51 C ATOM 1798 CG2 ILE A 170 22.264 23.497 -5.201 1.00 16.41 C ATOM 1799 CD1 ILE A 170 24.687 22.941 -7.381 1.00 12.94 C ATOM 1800 HA ILE A 170 21.486 20.826 -5.721 1.00 0.00 H ATOM 1801 HB ILE A 170 22.065 23.308 -7.337 1.00 0.00 H ATOM 1802 HG12 ILE A 170 24.069 21.691 -5.753 1.00 0.00 H ATOM 1803 HG13 ILE A 170 23.554 21.121 -7.359 1.00 0.00 H ATOM 1804 HD11 ILE A 170 24.313 23.249 -8.357 1.00 0.00 H ATOM 1805 HD12 ILE A 170 24.828 23.819 -6.751 1.00 0.00 H ATOM 1806 HD13 ILE A 170 25.638 22.423 -7.502 1.00 0.00 H ATOM 1807 HG21 ILE A 170 21.296 23.988 -5.101 1.00 0.00 H ATOM 1808 HG22 ILE A 170 22.436 22.851 -4.340 1.00 0.00 H ATOM 1809 HG23 ILE A 170 23.051 24.249 -5.255 1.00 0.00 H ATOM 1810 H ILE A 170 21.609 21.169 -8.587 1.00 0.00 H ATOM 1811 N ALA A 171 19.026 22.677 -7.003 1.00 16.31 N ATOM 1812 CA ALA A 171 17.676 23.195 -6.711 1.00 16.71 C ATOM 1813 C ALA A 171 16.774 22.077 -6.185 1.00 19.09 C ATOM 1814 O ALA A 171 16.031 22.293 -5.236 1.00 17.87 O ATOM 1815 CB ALA A 171 17.060 23.828 -7.964 1.00 17.05 C ATOM 1816 HA ALA A 171 17.763 23.962 -5.941 1.00 0.00 H ATOM 1817 HB1 ALA A 171 17.690 24.651 -8.301 1.00 0.00 H ATOM 1818 HB2 ALA A 171 16.989 23.077 -8.751 1.00 0.00 H ATOM 1819 HB3 ALA A 171 16.065 24.204 -7.728 1.00 0.00 H ATOM 1820 H ALA A 171 19.403 22.771 -7.968 1.00 0.00 H ATOM 1821 N LEU A 172 16.857 20.890 -6.786 1.00 18.44 N ATOM 1822 CA LEU A 172 16.078 19.722 -6.329 1.00 19.38 C ATOM 1823 C LEU A 172 16.488 19.289 -4.906 1.00 20.29 C ATOM 1824 O LEU A 172 15.619 19.034 -4.066 1.00 19.84 O ATOM 1825 CB LEU A 172 16.281 18.553 -7.310 1.00 20.92 C ATOM 1826 CG LEU A 172 15.560 17.233 -6.936 1.00 28.78 C ATOM 1827 CD1 LEU A 172 14.039 17.378 -7.054 1.00 30.60 C ATOM 1828 CD2 LEU A 172 16.013 16.098 -7.834 1.00 32.59 C ATOM 1829 HA LEU A 172 15.026 20.005 -6.301 1.00 0.00 H ATOM 1830 HB2 LEU A 172 15.918 18.869 -8.288 1.00 0.00 H ATOM 1831 HB3 LEU A 172 17.350 18.347 -7.370 1.00 0.00 H ATOM 1832 HG LEU A 172 15.820 17.008 -5.902 1.00 0.00 H ATOM 1833 HD21 LEU A 172 15.783 16.343 -8.871 1.00 0.00 H ATOM 1834 HD22 LEU A 172 17.088 15.955 -7.723 1.00 0.00 H ATOM 1835 HD23 LEU A 172 15.493 15.183 -7.551 1.00 0.00 H ATOM 1836 HD11 LEU A 172 13.697 18.164 -6.381 1.00 0.00 H ATOM 1837 HD12 LEU A 172 13.779 17.638 -8.080 1.00 0.00 H ATOM 1838 HD13 LEU A 172 13.563 16.435 -6.785 1.00 0.00 H ATOM 1839 H LEU A 172 17.491 20.783 -7.603 1.00 0.00 H ATOM 1840 N TRP A 173 17.809 19.209 -4.624 1.00 16.81 N ATOM 1841 CA TRP A 173 18.258 18.783 -3.290 1.00 17.40 C ATOM 1842 C TRP A 173 17.850 19.788 -2.224 1.00 18.29 C ATOM 1843 O TRP A 173 17.542 19.403 -1.097 1.00 16.86 O ATOM 1844 CB TRP A 173 19.791 18.555 -3.249 1.00 17.11 C ATOM 1845 CG TRP A 173 20.349 17.704 -4.365 1.00 18.50 C ATOM 1846 CD1 TRP A 173 19.711 16.699 -5.040 1.00 21.61 C ATOM 1847 CD2 TRP A 173 21.671 17.785 -4.920 1.00 18.33 C ATOM 1848 NE1 TRP A 173 20.539 16.183 -6.010 1.00 21.50 N ATOM 1849 CE2 TRP A 173 21.744 16.838 -5.968 1.00 22.78 C ATOM 1850 CE3 TRP A 173 22.781 18.616 -4.679 1.00 19.00 C ATOM 1851 CZ2 TRP A 173 22.914 16.637 -6.717 1.00 22.38 C ATOM 1852 CZ3 TRP A 173 23.930 18.437 -5.435 1.00 20.82 C ATOM 1853 CH2 TRP A 173 23.984 17.473 -6.458 1.00 22.07 C ATOM 1854 HA TRP A 173 17.767 17.833 -3.078 1.00 0.00 H ATOM 1855 HB2 TRP A 173 20.278 19.529 -3.293 1.00 0.00 H ATOM 1856 HB3 TRP A 173 20.034 18.071 -2.303 1.00 0.00 H ATOM 1857 HE1 TRP A 173 20.291 15.418 -6.670 1.00 0.00 H ATOM 1858 HD1 TRP A 173 18.696 16.357 -4.839 1.00 0.00 H ATOM 1859 HZ2 TRP A 173 22.976 15.853 -7.472 1.00 0.00 H ATOM 1860 HH2 TRP A 173 24.889 17.383 -7.059 1.00 0.00 H ATOM 1861 HZ3 TRP A 173 24.806 19.054 -5.233 1.00 0.00 H ATOM 1862 HE3 TRP A 173 22.738 19.388 -3.911 1.00 0.00 H ATOM 1863 H TRP A 173 18.510 19.450 -5.354 1.00 0.00 H ATOM 1864 N MET A 174 17.896 21.092 -2.564 1.00 13.80 N ATOM 1865 CA MET A 174 17.494 22.122 -1.606 1.00 12.54 C ATOM 1866 C MET A 174 16.004 22.013 -1.337 1.00 18.22 C ATOM 1867 O MET A 174 15.587 22.094 -0.182 1.00 16.93 O ATOM 1868 CB MET A 174 17.827 23.524 -2.148 1.00 13.86 C ATOM 1869 CG MET A 174 19.312 23.805 -2.182 1.00 15.57 C ATOM 1870 SD MET A 174 19.684 25.383 -2.958 1.00 17.10 S ATOM 1871 CE MET A 174 19.038 26.538 -1.736 1.00 14.91 C ATOM 1872 HA MET A 174 18.043 21.971 -0.677 1.00 0.00 H ATOM 1873 HB2 MET A 174 17.434 23.608 -3.161 1.00 0.00 H ATOM 1874 HB3 MET A 174 17.347 24.267 -1.511 1.00 0.00 H ATOM 1875 HG2 MET A 174 19.807 23.012 -2.742 1.00 0.00 H ATOM 1876 HG3 MET A 174 19.691 23.817 -1.160 1.00 0.00 H ATOM 1877 HE1 MET A 174 17.971 26.363 -1.601 1.00 0.00 H ATOM 1878 HE2 MET A 174 19.555 26.389 -0.788 1.00 0.00 H ATOM 1879 HE3 MET A 174 19.199 27.559 -2.082 1.00 0.00 H ATOM 1880 H MET A 174 18.219 21.367 -3.513 1.00 0.00 H ATOM 1881 N THR A 175 15.201 21.856 -2.408 1.00 16.34 N ATOM 1882 CA THR A 175 13.737 21.733 -2.276 1.00 16.31 C ATOM 1883 C THR A 175 13.389 20.521 -1.410 1.00 19.77 C ATOM 1884 O THR A 175 12.555 20.620 -0.507 1.00 18.99 O ATOM 1885 CB THR A 175 13.072 21.652 -3.669 1.00 20.33 C ATOM 1886 OG1 THR A 175 13.449 22.802 -4.437 1.00 18.00 O ATOM 1887 CG2 THR A 175 11.535 21.558 -3.585 1.00 21.42 C ATOM 1888 HA THR A 175 13.346 22.622 -1.780 1.00 0.00 H ATOM 1889 HB THR A 175 13.421 20.739 -4.152 1.00 0.00 H ATOM 1890 HG1 THR A 175 14.434 22.821 -4.538 1.00 0.00 H ATOM 1891 HG23 THR A 175 11.257 20.681 -3.000 1.00 0.00 H ATOM 1892 HG21 THR A 175 11.143 22.455 -3.106 1.00 0.00 H ATOM 1893 HG22 THR A 175 11.122 21.471 -4.590 1.00 0.00 H ATOM 1894 H THR A 175 15.626 21.820 -3.356 1.00 0.00 H ATOM 1895 N GLU A 176 14.030 19.388 -1.683 1.00 18.54 N ATOM 1896 CA GLU A 176 13.771 18.150 -0.939 1.00 18.31 C ATOM 1897 C GLU A 176 14.134 18.266 0.504 1.00 20.52 C ATOM 1898 O GLU A 176 13.347 17.878 1.358 1.00 19.97 O ATOM 1899 CB GLU A 176 14.425 16.945 -1.625 1.00 19.84 C ATOM 1900 CG GLU A 176 13.597 16.536 -2.839 1.00 31.55 C ATOM 1901 CD GLU A 176 14.099 15.419 -3.735 1.00 61.97 C ATOM 1902 OE1 GLU A 176 13.333 15.003 -4.635 1.00 57.90 O ATOM 1903 OE2 GLU A 176 15.263 14.988 -3.570 1.00 57.49 O ATOM 1904 HA GLU A 176 12.695 17.978 -0.955 1.00 0.00 H ATOM 1905 HB2 GLU A 176 15.432 17.212 -1.946 1.00 0.00 H ATOM 1906 HB3 GLU A 176 14.477 16.112 -0.924 1.00 0.00 H ATOM 1907 HG2 GLU A 176 12.618 16.232 -2.469 1.00 0.00 H ATOM 1908 HG3 GLU A 176 13.489 17.422 -3.464 1.00 0.00 H ATOM 1909 H GLU A 176 14.736 19.379 -2.447 1.00 0.00 H ATOM 1910 N TYR A 177 15.272 18.893 0.799 1.00 18.00 N ATOM 1911 CA TYR A 177 15.674 19.092 2.194 1.00 17.57 C ATOM 1912 C TYR A 177 14.713 20.040 2.928 1.00 20.36 C ATOM 1913 O TYR A 177 14.354 19.771 4.080 1.00 18.77 O ATOM 1914 CB TYR A 177 17.130 19.565 2.290 1.00 18.64 C ATOM 1915 CG TYR A 177 17.684 19.430 3.691 1.00 18.67 C ATOM 1916 CD1 TYR A 177 18.244 18.231 4.127 1.00 20.66 C ATOM 1917 CD2 TYR A 177 17.564 20.469 4.610 1.00 18.52 C ATOM 1918 CE1 TYR A 177 18.697 18.081 5.440 1.00 22.16 C ATOM 1919 CE2 TYR A 177 18.017 20.333 5.919 1.00 18.74 C ATOM 1920 CZ TYR A 177 18.572 19.135 6.331 1.00 24.07 C ATOM 1921 OH TYR A 177 19.051 19.049 7.608 1.00 25.06 O ATOM 1922 HA TYR A 177 15.614 18.127 2.697 1.00 0.00 H ATOM 1923 HB3 TYR A 177 17.179 20.612 1.992 1.00 0.00 H ATOM 1924 HB2 TYR A 177 17.739 18.967 1.612 1.00 0.00 H ATOM 1925 HD2 TYR A 177 17.106 21.408 4.298 1.00 0.00 H ATOM 1926 HE2 TYR A 177 17.935 21.167 6.616 1.00 0.00 H ATOM 1927 HE1 TYR A 177 19.146 17.141 5.761 1.00 0.00 H ATOM 1928 HD1 TYR A 177 18.330 17.396 3.432 1.00 0.00 H ATOM 1929 HH TYR A 177 19.416 18.142 7.762 1.00 0.00 H ATOM 1930 H TYR A 177 15.880 19.244 0.032 1.00 0.00 H ATOM 1931 N LEU A 178 14.319 21.153 2.290 1.00 19.25 N ATOM 1932 CA LEU A 178 13.368 22.099 2.902 1.00 20.20 C ATOM 1933 C LEU A 178 12.048 21.381 3.190 1.00 22.44 C ATOM 1934 O LEU A 178 11.527 21.478 4.296 1.00 22.25 O ATOM 1935 CB LEU A 178 13.047 23.262 1.934 1.00 20.90 C ATOM 1936 CG LEU A 178 13.795 24.576 2.091 1.00 26.85 C ATOM 1937 CD1 LEU A 178 13.509 25.459 0.893 1.00 26.36 C ATOM 1938 CD2 LEU A 178 13.388 25.319 3.368 1.00 26.04 C ATOM 1939 HA LEU A 178 13.823 22.483 3.815 1.00 0.00 H ATOM 1940 HB2 LEU A 178 13.242 22.901 0.924 1.00 0.00 H ATOM 1941 HB3 LEU A 178 11.985 23.483 2.040 1.00 0.00 H ATOM 1942 HG LEU A 178 14.859 24.348 2.159 1.00 0.00 H ATOM 1943 HD21 LEU A 178 12.320 25.536 3.336 1.00 0.00 H ATOM 1944 HD22 LEU A 178 13.607 24.696 4.235 1.00 0.00 H ATOM 1945 HD23 LEU A 178 13.948 26.252 3.438 1.00 0.00 H ATOM 1946 HD11 LEU A 178 13.840 24.955 -0.015 1.00 0.00 H ATOM 1947 HD12 LEU A 178 12.438 25.652 0.833 1.00 0.00 H ATOM 1948 HD13 LEU A 178 14.044 26.402 1.003 1.00 0.00 H ATOM 1949 H LEU A 178 14.694 21.353 1.341 1.00 0.00 H ATOM 1950 N ASN A 179 11.495 20.678 2.178 1.00 19.38 N ATOM 1951 CA ASN A 179 10.210 19.966 2.338 1.00 19.12 C ATOM 1952 C ASN A 179 10.251 18.825 3.366 1.00 23.45 C ATOM 1953 O ASN A 179 9.331 18.694 4.170 1.00 23.12 O ATOM 1954 CB ASN A 179 9.714 19.453 0.974 1.00 20.56 C ATOM 1955 CG ASN A 179 9.124 20.542 0.082 1.00 28.48 C ATOM 1956 OD1 ASN A 179 8.696 21.600 0.536 1.00 26.89 O ATOM 1957 ND2 ASN A 179 9.098 20.306 -1.209 1.00 25.07 N ATOM 1958 HA ASN A 179 9.505 20.695 2.737 1.00 0.00 H ATOM 1959 HB2 ASN A 179 10.556 18.999 0.451 1.00 0.00 H ATOM 1960 HB3 ASN A 179 8.947 18.699 1.149 1.00 0.00 H ATOM 1961 HD22 ASN A 179 9.464 19.406 -1.581 1.00 0.00 H ATOM 1962 HD21 ASN A 179 8.712 21.019 -1.860 1.00 0.00 H ATOM 1963 H ASN A 179 11.986 20.637 1.262 1.00 0.00 H ATOM 1964 N ARG A 180 11.318 18.020 3.360 1.00 22.02 N ATOM 1965 CA ARG A 180 11.392 16.845 4.241 1.00 23.16 C ATOM 1966 C ARG A 180 12.027 17.057 5.600 1.00 27.69 C ATOM 1967 O ARG A 180 11.685 16.336 6.539 1.00 28.51 O ATOM 1968 CB ARG A 180 12.071 15.677 3.516 1.00 24.06 C ATOM 1969 CG ARG A 180 11.345 15.278 2.238 1.00 37.97 C ATOM 1970 CD ARG A 180 12.214 14.432 1.334 1.00 51.42 C ATOM 1971 NE ARG A 180 11.476 13.950 0.165 1.00 62.17 N ATOM 1972 CZ ARG A 180 12.038 13.355 -0.883 1.00 81.88 C ATOM 1973 NH1 ARG A 180 13.353 13.173 -0.928 1.00 70.26 N ATOM 1974 NH2 ARG A 180 11.290 12.943 -1.899 1.00 68.44 N ATOM 1975 HA ARG A 180 10.350 16.617 4.466 1.00 0.00 H ATOM 1976 HB2 ARG A 180 13.090 15.969 3.262 1.00 0.00 H ATOM 1977 HB3 ARG A 180 12.097 14.818 4.186 1.00 0.00 H ATOM 1978 HG2 ARG A 180 10.453 14.710 2.502 1.00 0.00 H ATOM 1979 HG3 ARG A 180 11.053 16.181 1.702 1.00 0.00 H ATOM 1980 HD2 ARG A 180 12.581 13.574 1.898 1.00 0.00 H ATOM 1981 HD3 ARG A 180 13.059 15.031 0.995 1.00 0.00 H ATOM 1982 HE ARG A 180 10.444 14.082 0.154 1.00 0.00 H ATOM 1983 HH12 ARG A 180 13.786 12.707 -1.751 1.00 0.00 H ATOM 1984 HH11 ARG A 180 13.950 13.497 -0.140 1.00 0.00 H ATOM 1985 HH22 ARG A 180 11.734 12.478 -2.717 1.00 0.00 H ATOM 1986 HH21 ARG A 180 10.260 13.085 -1.878 1.00 0.00 H ATOM 1987 H ARG A 180 12.111 18.229 2.720 1.00 0.00 H ATOM 1988 N HIS A 181 12.978 17.997 5.720 1.00 20.99 N ATOM 1989 CA HIS A 181 13.696 18.147 6.987 1.00 21.08 C ATOM 1990 C HIS A 181 13.559 19.497 7.700 1.00 23.94 C ATOM 1991 O HIS A 181 13.801 19.565 8.905 1.00 26.16 O ATOM 1992 CB HIS A 181 15.171 17.748 6.791 1.00 22.52 C ATOM 1993 CG HIS A 181 15.318 16.341 6.279 1.00 27.07 C ATOM 1994 ND1 HIS A 181 15.046 15.249 7.090 1.00 29.95 N ATOM 1995 CD2 HIS A 181 15.654 15.893 5.045 1.00 29.73 C ATOM 1996 CE1 HIS A 181 15.244 14.177 6.334 1.00 29.83 C ATOM 1997 NE2 HIS A 181 15.616 14.510 5.099 1.00 30.10 N ATOM 1998 HA HIS A 181 13.201 17.466 7.679 1.00 0.00 H ATOM 1999 HB2 HIS A 181 15.627 18.432 6.075 1.00 0.00 H ATOM 2000 HB3 HIS A 181 15.687 17.829 7.748 1.00 0.00 H ATOM 2001 HD2 HIS A 181 15.906 16.503 4.178 1.00 0.00 H ATOM 2002 HE1 HIS A 181 15.118 13.151 6.680 1.00 0.00 H ATOM 2003 H HIS A 181 13.204 18.616 4.916 1.00 0.00 H ATOM 2004 N LEU A 182 13.172 20.553 6.984 1.00 16.68 N ATOM 2005 CA LEU A 182 13.036 21.876 7.603 1.00 17.11 C ATOM 2006 C LEU A 182 11.600 22.346 7.729 1.00 21.94 C ATOM 2007 O LEU A 182 11.332 23.213 8.560 1.00 19.05 O ATOM 2008 CB LEU A 182 13.861 22.934 6.824 1.00 16.25 C ATOM 2009 CG LEU A 182 15.365 22.671 6.774 1.00 19.44 C ATOM 2010 CD1 LEU A 182 16.071 23.667 5.839 1.00 19.60 C ATOM 2011 CD2 LEU A 182 16.003 22.756 8.191 1.00 20.50 C ATOM 2012 HA LEU A 182 13.424 21.768 8.616 1.00 0.00 H ATOM 2013 HB2 LEU A 182 13.489 22.966 5.800 1.00 0.00 H ATOM 2014 HB3 LEU A 182 13.702 23.903 7.298 1.00 0.00 H ATOM 2015 HG LEU A 182 15.498 21.661 6.387 1.00 0.00 H ATOM 2016 HD21 LEU A 182 15.839 23.752 8.603 1.00 0.00 H ATOM 2017 HD22 LEU A 182 15.542 22.012 8.841 1.00 0.00 H ATOM 2018 HD23 LEU A 182 17.073 22.564 8.118 1.00 0.00 H ATOM 2019 HD11 LEU A 182 15.666 23.568 4.832 1.00 0.00 H ATOM 2020 HD12 LEU A 182 15.906 24.682 6.200 1.00 0.00 H ATOM 2021 HD13 LEU A 182 17.140 23.454 5.824 1.00 0.00 H ATOM 2022 H LEU A 182 12.963 20.437 5.972 1.00 0.00 H ATOM 2023 N HIS A 183 10.690 21.802 6.903 1.00 21.81 N ATOM 2024 CA HIS A 183 9.296 22.240 6.882 1.00 23.26 C ATOM 2025 C HIS A 183 8.546 22.134 8.188 1.00 26.64 C ATOM 2026 O HIS A 183 7.808 23.056 8.518 1.00 25.17 O ATOM 2027 CB HIS A 183 8.503 21.756 5.645 1.00 24.76 C ATOM 2028 CG HIS A 183 7.543 22.791 5.107 1.00 28.19 C ATOM 2029 ND1 HIS A 183 6.549 22.450 4.202 1.00 30.17 N ATOM 2030 CD2 HIS A 183 7.448 24.118 5.377 1.00 29.58 C ATOM 2031 CE1 HIS A 183 5.882 23.572 3.959 1.00 29.60 C ATOM 2032 NE2 HIS A 183 6.382 24.600 4.652 1.00 29.70 N ATOM 2033 HA HIS A 183 9.384 23.319 6.756 1.00 0.00 H ATOM 2034 HB2 HIS A 183 9.212 21.499 4.858 1.00 0.00 H ATOM 2035 HB3 HIS A 183 7.935 20.869 5.924 1.00 0.00 H ATOM 2036 HD2 HIS A 183 8.093 24.693 6.042 1.00 0.00 H ATOM 2037 HE1 HIS A 183 5.033 23.646 3.279 1.00 0.00 H ATOM 2038 H HIS A 183 10.988 21.044 6.257 1.00 0.00 H ATOM 2039 N THR A 184 8.812 21.080 8.983 1.00 24.33 N ATOM 2040 CA THR A 184 8.215 20.901 10.310 1.00 23.39 C ATOM 2041 C THR A 184 8.660 22.015 11.243 1.00 24.62 C ATOM 2042 O THR A 184 7.800 22.656 11.865 1.00 24.76 O ATOM 2043 CB THR A 184 8.481 19.473 10.841 1.00 33.62 C ATOM 2044 OG1 THR A 184 7.852 18.562 9.941 1.00 37.17 O ATOM 2045 CG2 THR A 184 7.951 19.250 12.248 1.00 34.27 C ATOM 2046 HA THR A 184 7.130 20.986 10.245 1.00 0.00 H ATOM 2047 HB THR A 184 9.559 19.318 10.895 1.00 0.00 H ATOM 2048 HG1 THR A 184 6.880 18.747 9.912 1.00 0.00 H ATOM 2049 HG23 THR A 184 8.434 19.948 12.932 1.00 0.00 H ATOM 2050 HG21 THR A 184 6.874 19.415 12.259 1.00 0.00 H ATOM 2051 HG22 THR A 184 8.166 18.228 12.558 1.00 0.00 H ATOM 2052 H THR A 184 9.475 20.356 8.638 1.00 0.00 H ATOM 2053 N TRP A 185 9.990 22.279 11.326 1.00 17.80 N ATOM 2054 CA TRP A 185 10.497 23.356 12.163 1.00 16.58 C ATOM 2055 C TRP A 185 9.871 24.698 11.731 1.00 17.99 C ATOM 2056 O TRP A 185 9.425 25.458 12.589 1.00 18.18 O ATOM 2057 CB TRP A 185 12.046 23.455 12.116 1.00 15.16 C ATOM 2058 CG TRP A 185 12.565 24.490 13.059 1.00 15.67 C ATOM 2059 CD1 TRP A 185 12.894 24.306 14.367 1.00 18.84 C ATOM 2060 CD2 TRP A 185 12.694 25.899 12.807 1.00 15.58 C ATOM 2061 NE1 TRP A 185 13.296 25.493 14.922 1.00 18.97 N ATOM 2062 CE2 TRP A 185 13.199 26.487 13.981 1.00 19.35 C ATOM 2063 CE3 TRP A 185 12.517 26.711 11.664 1.00 15.59 C ATOM 2064 CZ2 TRP A 185 13.434 27.865 14.087 1.00 18.42 C ATOM 2065 CZ3 TRP A 185 12.722 28.076 11.778 1.00 16.05 C ATOM 2066 CH2 TRP A 185 13.174 28.641 12.975 1.00 16.81 C ATOM 2067 HA TRP A 185 10.214 23.131 13.191 1.00 0.00 H ATOM 2068 HB2 TRP A 185 12.470 22.488 12.385 1.00 0.00 H ATOM 2069 HB3 TRP A 185 12.353 23.715 11.103 1.00 0.00 H ATOM 2070 HE1 TRP A 185 13.623 25.620 15.901 1.00 0.00 H ATOM 2071 HD1 TRP A 185 12.845 23.354 14.896 1.00 0.00 H ATOM 2072 HZ2 TRP A 185 13.807 28.306 15.011 1.00 0.00 H ATOM 2073 HH2 TRP A 185 13.324 29.719 13.031 1.00 0.00 H ATOM 2074 HZ3 TRP A 185 12.528 28.721 10.921 1.00 0.00 H ATOM 2075 HE3 TRP A 185 12.225 26.271 10.710 1.00 0.00 H ATOM 2076 H TRP A 185 10.659 21.700 10.780 1.00 0.00 H ATOM 2077 N ILE A 186 9.874 24.998 10.414 1.00 14.83 N ATOM 2078 CA ILE A 186 9.346 26.280 9.912 1.00 14.39 C ATOM 2079 C ILE A 186 7.902 26.481 10.382 1.00 18.51 C ATOM 2080 O ILE A 186 7.595 27.520 10.971 1.00 17.02 O ATOM 2081 CB ILE A 186 9.506 26.356 8.356 1.00 15.08 C ATOM 2082 CG1 ILE A 186 11.014 26.589 7.983 1.00 14.29 C ATOM 2083 CG2 ILE A 186 8.620 27.456 7.736 1.00 14.74 C ATOM 2084 CD1 ILE A 186 11.375 26.205 6.501 1.00 16.57 C ATOM 2085 HA ILE A 186 9.924 27.106 10.327 1.00 0.00 H ATOM 2086 HB ILE A 186 9.174 25.404 7.941 1.00 0.00 H ATOM 2087 HG12 ILE A 186 11.244 27.644 8.129 1.00 0.00 H ATOM 2088 HG13 ILE A 186 11.629 25.988 8.652 1.00 0.00 H ATOM 2089 HD11 ILE A 186 11.163 25.148 6.339 1.00 0.00 H ATOM 2090 HD12 ILE A 186 10.777 26.806 5.815 1.00 0.00 H ATOM 2091 HD13 ILE A 186 12.434 26.396 6.325 1.00 0.00 H ATOM 2092 HG21 ILE A 186 7.574 27.248 7.961 1.00 0.00 H ATOM 2093 HG22 ILE A 186 8.898 28.423 8.155 1.00 0.00 H ATOM 2094 HG23 ILE A 186 8.764 27.471 6.656 1.00 0.00 H ATOM 2095 H ILE A 186 10.258 24.308 9.737 1.00 0.00 H ATOM 2096 N GLN A 187 7.044 25.468 10.158 1.00 17.93 N ATOM 2097 CA GLN A 187 5.618 25.516 10.557 1.00 19.74 C ATOM 2098 C GLN A 187 5.447 25.658 12.071 1.00 24.73 C ATOM 2099 O GLN A 187 4.597 26.439 12.522 1.00 24.62 O ATOM 2100 CB GLN A 187 4.852 24.293 10.001 1.00 22.01 C ATOM 2101 CG GLN A 187 4.781 24.313 8.467 1.00 41.29 C ATOM 2102 CD GLN A 187 3.439 23.911 7.908 1.00 71.04 C ATOM 2103 OE1 GLN A 187 3.014 22.753 7.999 1.00 69.97 O ATOM 2104 NE2 GLN A 187 2.760 24.856 7.276 1.00 63.32 N ATOM 2105 HA GLN A 187 5.182 26.412 10.115 1.00 0.00 H ATOM 2106 HB2 GLN A 187 5.361 23.383 10.319 1.00 0.00 H ATOM 2107 HB3 GLN A 187 3.838 24.299 10.401 1.00 0.00 H ATOM 2108 HG2 GLN A 187 5.005 25.324 8.127 1.00 0.00 H ATOM 2109 HG3 GLN A 187 5.533 23.626 8.080 1.00 0.00 H ATOM 2110 HE22 GLN A 187 3.144 25.821 7.216 1.00 0.00 H ATOM 2111 HE21 GLN A 187 1.843 24.633 6.839 1.00 0.00 H ATOM 2112 H GLN A 187 7.398 24.613 9.683 1.00 0.00 H ATOM 2113 N ASP A 188 6.306 24.978 12.862 1.00 21.94 N ATOM 2114 CA ASP A 188 6.271 25.074 14.326 1.00 22.77 C ATOM 2115 C ASP A 188 6.765 26.416 14.852 1.00 26.58 C ATOM 2116 O ASP A 188 6.504 26.766 16.005 1.00 25.97 O ATOM 2117 CB ASP A 188 7.093 23.933 14.965 1.00 25.41 C ATOM 2118 CG ASP A 188 6.496 22.545 14.803 1.00 38.65 C ATOM 2119 OD1 ASP A 188 7.228 21.553 15.033 1.00 42.74 O ATOM 2120 OD2 ASP A 188 5.311 22.446 14.415 1.00 39.44 O ATOM 2121 HA ASP A 188 5.223 24.983 14.610 1.00 0.00 H ATOM 2122 HB2 ASP A 188 8.083 23.932 14.508 1.00 0.00 H ATOM 2123 HB3 ASP A 188 7.187 24.139 16.031 1.00 0.00 H ATOM 2124 H ASP A 188 7.018 24.364 12.417 1.00 0.00 H ATOM 2125 N ASN A 189 7.469 27.181 14.010 1.00 20.84 N ATOM 2126 CA ASN A 189 8.054 28.439 14.419 1.00 19.18 C ATOM 2127 C ASN A 189 7.422 29.654 13.758 1.00 20.11 C ATOM 2128 O ASN A 189 8.053 30.706 13.639 1.00 18.68 O ATOM 2129 CB ASN A 189 9.578 28.377 14.274 1.00 23.16 C ATOM 2130 CG ASN A 189 10.176 27.526 15.360 1.00 29.75 C ATOM 2131 OD1 ASN A 189 10.559 28.031 16.403 1.00 23.42 O ATOM 2132 ND2 ASN A 189 10.156 26.217 15.193 1.00 19.93 N ATOM 2133 HA ASN A 189 7.827 28.584 15.475 1.00 0.00 H ATOM 2134 HB2 ASN A 189 9.829 27.949 13.303 1.00 0.00 H ATOM 2135 HB3 ASN A 189 9.986 29.385 14.342 1.00 0.00 H ATOM 2136 HD22 ASN A 189 9.825 25.812 14.294 1.00 0.00 H ATOM 2137 HD21 ASN A 189 10.471 25.590 15.960 1.00 0.00 H ATOM 2138 H ASN A 189 7.600 26.861 13.029 1.00 0.00 H ATOM 2139 N GLY A 190 6.149 29.513 13.410 1.00 17.39 N ATOM 2140 CA GLY A 190 5.370 30.614 12.862 1.00 16.63 C ATOM 2141 C GLY A 190 5.334 30.713 11.358 1.00 18.40 C ATOM 2142 O GLY A 190 4.753 31.656 10.827 1.00 18.10 O ATOM 2143 HA3 GLY A 190 5.788 31.544 13.248 1.00 0.00 H ATOM 2144 HA2 GLY A 190 4.344 30.505 13.214 1.00 0.00 H ATOM 2145 H GLY A 190 5.693 28.586 13.533 1.00 0.00 H ATOM 2146 N GLY A 191 5.992 29.783 10.677 1.00 15.82 N ATOM 2147 CA GLY A 191 6.017 29.745 9.213 1.00 15.47 C ATOM 2148 C GLY A 191 6.860 30.839 8.597 1.00 16.34 C ATOM 2149 O GLY A 191 7.524 31.584 9.307 1.00 15.59 O ATOM 2150 HA3 GLY A 191 4.995 29.848 8.847 1.00 0.00 H ATOM 2151 HA2 GLY A 191 6.418 28.781 8.899 1.00 0.00 H ATOM 2152 H GLY A 191 6.511 29.052 11.204 1.00 0.00 H ATOM 2153 N TRP A 192 6.838 30.951 7.266 1.00 15.64 N ATOM 2154 CA TRP A 192 7.522 32.032 6.543 1.00 16.11 C ATOM 2155 C TRP A 192 6.991 33.390 6.987 1.00 17.24 C ATOM 2156 O TRP A 192 7.719 34.387 6.986 1.00 15.72 O ATOM 2157 CB TRP A 192 7.342 31.839 5.032 1.00 15.99 C ATOM 2158 CG TRP A 192 8.038 30.616 4.502 1.00 18.12 C ATOM 2159 CD1 TRP A 192 7.461 29.546 3.883 1.00 21.47 C ATOM 2160 CD2 TRP A 192 9.455 30.369 4.496 1.00 18.03 C ATOM 2161 NE1 TRP A 192 8.428 28.642 3.505 1.00 21.79 N ATOM 2162 CE2 TRP A 192 9.659 29.114 3.890 1.00 22.34 C ATOM 2163 CE3 TRP A 192 10.577 31.109 4.922 1.00 19.46 C ATOM 2164 CZ2 TRP A 192 10.942 28.605 3.640 1.00 22.24 C ATOM 2165 CZ3 TRP A 192 11.845 30.590 4.686 1.00 21.29 C ATOM 2166 CH2 TRP A 192 12.011 29.333 4.101 1.00 21.37 C ATOM 2167 HA TRP A 192 8.587 31.998 6.774 1.00 0.00 H ATOM 2168 HB2 TRP A 192 6.277 31.751 4.819 1.00 0.00 H ATOM 2169 HB3 TRP A 192 7.743 32.714 4.521 1.00 0.00 H ATOM 2170 HE1 TRP A 192 8.254 27.745 3.008 1.00 0.00 H ATOM 2171 HD1 TRP A 192 6.391 29.425 3.713 1.00 0.00 H ATOM 2172 HZ2 TRP A 192 11.085 27.668 3.101 1.00 0.00 H ATOM 2173 HH2 TRP A 192 13.015 28.919 4.008 1.00 0.00 H ATOM 2174 HZ3 TRP A 192 12.723 31.173 4.962 1.00 0.00 H ATOM 2175 HE3 TRP A 192 10.453 32.068 5.426 1.00 0.00 H ATOM 2176 H TRP A 192 6.313 30.241 6.717 1.00 0.00 H ATOM 2177 N ASP A 193 5.720 33.430 7.452 1.00 13.92 N ATOM 2178 CA ASP A 193 5.145 34.658 8.007 1.00 12.94 C ATOM 2179 C ASP A 193 6.009 35.217 9.161 1.00 16.20 C ATOM 2180 O ASP A 193 6.298 36.404 9.184 1.00 15.88 O ATOM 2181 CB ASP A 193 3.716 34.385 8.526 1.00 13.50 C ATOM 2182 CG ASP A 193 3.031 35.622 9.073 1.00 16.50 C ATOM 2183 OD1 ASP A 193 2.952 36.637 8.335 1.00 17.86 O ATOM 2184 OD2 ASP A 193 2.641 35.604 10.253 1.00 18.62 O ATOM 2185 HA ASP A 193 5.115 35.399 7.209 1.00 0.00 H ATOM 2186 HB2 ASP A 193 3.118 33.993 7.704 1.00 0.00 H ATOM 2187 HB3 ASP A 193 3.772 33.640 9.320 1.00 0.00 H ATOM 2188 H ASP A 193 5.138 32.569 7.414 1.00 0.00 H ATOM 2189 N ALA A 194 6.463 34.350 10.072 1.00 16.07 N ATOM 2190 CA ALA A 194 7.268 34.773 11.230 1.00 15.10 C ATOM 2191 C ALA A 194 8.636 35.267 10.778 1.00 15.99 C ATOM 2192 O ALA A 194 9.152 36.204 11.367 1.00 14.31 O ATOM 2193 CB ALA A 194 7.432 33.624 12.208 1.00 15.66 C ATOM 2194 HA ALA A 194 6.746 35.590 11.728 1.00 0.00 H ATOM 2195 HB1 ALA A 194 6.451 33.302 12.556 1.00 0.00 H ATOM 2196 HB2 ALA A 194 7.933 32.794 11.710 1.00 0.00 H ATOM 2197 HB3 ALA A 194 8.030 33.954 13.058 1.00 0.00 H ATOM 2198 H ALA A 194 6.240 33.341 9.959 1.00 0.00 H ATOM 2199 N PHE A 195 9.230 34.623 9.745 1.00 13.96 N ATOM 2200 CA PHE A 195 10.540 35.028 9.194 1.00 13.22 C ATOM 2201 C PHE A 195 10.421 36.459 8.644 1.00 16.29 C ATOM 2202 O PHE A 195 11.254 37.299 8.939 1.00 14.35 O ATOM 2203 CB PHE A 195 10.964 34.037 8.088 1.00 14.50 C ATOM 2204 CG PHE A 195 12.266 34.407 7.405 1.00 16.07 C ATOM 2205 CD1 PHE A 195 13.484 34.303 8.082 1.00 17.18 C ATOM 2206 CD2 PHE A 195 12.276 34.845 6.084 1.00 18.14 C ATOM 2207 CE1 PHE A 195 14.687 34.631 7.450 1.00 17.68 C ATOM 2208 CE2 PHE A 195 13.486 35.185 5.453 1.00 21.03 C ATOM 2209 CZ PHE A 195 14.675 35.107 6.150 1.00 17.91 C ATOM 2210 HA PHE A 195 11.304 35.012 9.971 1.00 0.00 H ATOM 2211 HB2 PHE A 195 11.078 33.050 8.535 1.00 0.00 H ATOM 2212 HB3 PHE A 195 10.177 34.004 7.335 1.00 0.00 H ATOM 2213 HD2 PHE A 195 11.338 34.925 5.534 1.00 0.00 H ATOM 2214 HE2 PHE A 195 13.485 35.510 4.413 1.00 0.00 H ATOM 2215 HZ PHE A 195 15.605 35.420 5.676 1.00 0.00 H ATOM 2216 HE1 PHE A 195 15.632 34.512 7.980 1.00 0.00 H ATOM 2217 HD1 PHE A 195 13.496 33.961 9.117 1.00 0.00 H ATOM 2218 H PHE A 195 8.743 33.808 9.321 1.00 0.00 H ATOM 2219 N VAL A 196 9.328 36.748 7.880 1.00 14.14 N ATOM 2220 CA VAL A 196 9.070 38.080 7.332 1.00 14.09 C ATOM 2221 C VAL A 196 8.804 39.093 8.461 1.00 17.37 C ATOM 2222 O VAL A 196 9.326 40.217 8.424 1.00 16.81 O ATOM 2223 CB VAL A 196 7.923 38.045 6.281 1.00 18.23 C ATOM 2224 CG1 VAL A 196 7.494 39.476 5.882 1.00 17.94 C ATOM 2225 CG2 VAL A 196 8.346 37.221 5.053 1.00 17.72 C ATOM 2226 HA VAL A 196 9.964 38.415 6.805 1.00 0.00 H ATOM 2227 HB VAL A 196 7.057 37.559 6.730 1.00 0.00 H ATOM 2228 HG11 VAL A 196 7.143 40.009 6.766 1.00 0.00 H ATOM 2229 HG12 VAL A 196 8.346 40.003 5.453 1.00 0.00 H ATOM 2230 HG13 VAL A 196 6.691 39.422 5.147 1.00 0.00 H ATOM 2231 HG21 VAL A 196 9.229 37.672 4.601 1.00 0.00 H ATOM 2232 HG22 VAL A 196 8.576 36.202 5.363 1.00 0.00 H ATOM 2233 HG23 VAL A 196 7.532 37.207 4.328 1.00 0.00 H ATOM 2234 H VAL A 196 8.648 35.988 7.678 1.00 0.00 H ATOM 2235 N GLU A 197 8.030 38.688 9.484 1.00 15.76 N ATOM 2236 CA GLU A 197 7.777 39.600 10.607 1.00 16.50 C ATOM 2237 C GLU A 197 9.051 40.006 11.323 1.00 19.47 C ATOM 2238 O GLU A 197 9.179 41.163 11.715 1.00 20.22 O ATOM 2239 CB GLU A 197 6.746 39.017 11.596 1.00 18.74 C ATOM 2240 CG GLU A 197 5.340 38.977 11.005 1.00 30.75 C ATOM 2241 CD GLU A 197 4.867 40.311 10.455 1.00 48.21 C ATOM 2242 OE1 GLU A 197 4.687 40.420 9.218 1.00 34.21 O ATOM 2243 OE2 GLU A 197 4.798 41.278 11.247 1.00 41.01 O ATOM 2244 HA GLU A 197 7.351 40.506 10.175 1.00 0.00 H ATOM 2245 HB2 GLU A 197 7.046 38.003 11.859 1.00 0.00 H ATOM 2246 HB3 GLU A 197 6.732 39.635 12.494 1.00 0.00 H ATOM 2247 HG2 GLU A 197 5.328 38.248 10.195 1.00 0.00 H ATOM 2248 HG3 GLU A 197 4.648 38.662 11.786 1.00 0.00 H ATOM 2249 H GLU A 197 7.613 37.735 9.480 1.00 0.00 H ATOM 2250 N LEU A 198 10.023 39.086 11.444 1.00 16.17 N ATOM 2251 CA LEU A 198 11.304 39.419 12.081 1.00 15.57 C ATOM 2252 C LEU A 198 12.257 40.224 11.187 1.00 19.75 C ATOM 2253 O LEU A 198 12.900 41.149 11.667 1.00 19.95 O ATOM 2254 CB LEU A 198 12.035 38.129 12.501 1.00 15.89 C ATOM 2255 CG LEU A 198 11.564 37.420 13.780 1.00 20.18 C ATOM 2256 CD1 LEU A 198 12.026 35.951 13.765 1.00 20.74 C ATOM 2257 CD2 LEU A 198 12.097 38.132 15.043 1.00 20.76 C ATOM 2258 HA LEU A 198 11.047 40.041 12.938 1.00 0.00 H ATOM 2259 HB2 LEU A 198 11.937 37.418 11.681 1.00 0.00 H ATOM 2260 HB3 LEU A 198 13.087 38.381 12.638 1.00 0.00 H ATOM 2261 HG LEU A 198 10.475 37.456 13.808 1.00 0.00 H ATOM 2262 HD21 LEU A 198 13.187 38.132 15.026 1.00 0.00 H ATOM 2263 HD22 LEU A 198 11.733 39.159 15.060 1.00 0.00 H ATOM 2264 HD23 LEU A 198 11.746 37.606 15.931 1.00 0.00 H ATOM 2265 HD11 LEU A 198 11.602 35.447 12.897 1.00 0.00 H ATOM 2266 HD12 LEU A 198 13.114 35.914 13.713 1.00 0.00 H ATOM 2267 HD13 LEU A 198 11.688 35.456 14.675 1.00 0.00 H ATOM 2268 H LEU A 198 9.866 38.124 11.081 1.00 0.00 H ATOM 2269 N TYR A 199 12.421 39.815 9.921 1.00 17.04 N ATOM 2270 CA TYR A 199 13.477 40.351 9.043 1.00 15.24 C ATOM 2271 C TYR A 199 13.046 41.131 7.819 1.00 20.66 C ATOM 2272 O TYR A 199 13.904 41.649 7.092 1.00 17.86 O ATOM 2273 CB TYR A 199 14.421 39.180 8.654 1.00 14.77 C ATOM 2274 CG TYR A 199 14.922 38.453 9.884 1.00 15.25 C ATOM 2275 CD1 TYR A 199 15.695 39.112 10.842 1.00 16.20 C ATOM 2276 CD2 TYR A 199 14.572 37.127 10.126 1.00 15.88 C ATOM 2277 CE1 TYR A 199 16.108 38.471 12.004 1.00 14.95 C ATOM 2278 CE2 TYR A 199 14.993 36.469 11.278 1.00 16.45 C ATOM 2279 CZ TYR A 199 15.760 37.146 12.215 1.00 18.89 C ATOM 2280 OH TYR A 199 16.123 36.521 13.379 1.00 17.57 O ATOM 2281 HA TYR A 199 13.978 41.118 9.633 1.00 0.00 H ATOM 2282 HB3 TYR A 199 15.273 39.577 8.103 1.00 0.00 H ATOM 2283 HB2 TYR A 199 13.877 38.478 8.022 1.00 0.00 H ATOM 2284 HD2 TYR A 199 13.957 36.595 9.400 1.00 0.00 H ATOM 2285 HE2 TYR A 199 14.721 35.426 11.443 1.00 0.00 H ATOM 2286 HE1 TYR A 199 16.702 39.007 12.745 1.00 0.00 H ATOM 2287 HD1 TYR A 199 15.980 40.151 10.675 1.00 0.00 H ATOM 2288 HH TYR A 199 16.657 35.715 13.167 1.00 0.00 H ATOM 2289 H TYR A 199 11.778 39.091 9.543 1.00 0.00 H ATOM 2290 N GLY A 200 11.740 41.200 7.593 1.00 19.36 N ATOM 2291 CA GLY A 200 11.197 41.858 6.406 1.00 21.73 C ATOM 2292 C GLY A 200 11.071 43.363 6.497 1.00 31.32 C ATOM 2293 O GLY A 200 11.368 43.943 7.540 1.00 30.57 O ATOM 2294 HA3 GLY A 200 10.205 41.448 6.219 1.00 0.00 H ATOM 2295 HA2 GLY A 200 11.850 41.625 5.564 1.00 0.00 H ATOM 2296 H GLY A 200 11.085 40.774 8.279 1.00 0.00 H ATOM 2297 N PRO A 201 10.633 44.023 5.394 1.00 33.41 N ATOM 2298 CA PRO A 201 10.473 45.493 5.420 1.00 40.01 C ATOM 2299 C PRO A 201 9.190 45.923 6.124 1.00 75.36 C ATOM 2300 O PRO A 201 9.116 45.924 7.348 1.00 49.07 O ATOM 2301 CB PRO A 201 10.434 45.867 3.931 1.00 41.19 C ATOM 2302 CG PRO A 201 9.835 44.675 3.257 1.00 43.71 C ATOM 2303 CD PRO A 201 10.265 43.459 4.076 1.00 38.07 C ATOM 2304 HA PRO A 201 11.272 45.987 5.974 1.00 0.00 H ATOM 2305 HD3 PRO A 201 9.444 42.748 4.174 1.00 0.00 H ATOM 2306 HD2 PRO A 201 11.119 42.964 3.615 1.00 0.00 H ATOM 2307 HG3 PRO A 201 10.206 44.593 2.235 1.00 0.00 H ATOM 2308 HG2 PRO A 201 8.748 44.756 3.242 1.00 0.00 H ATOM 2309 HB2 PRO A 201 9.815 46.750 3.772 1.00 0.00 H ATOM 2310 HB3 PRO A 201 11.439 46.057 3.555 1.00 0.00 H TER 2311 PRO A 201 HETATM 2312 O HOH 1 10.054 32.249 14.565 1.00 19.29 O HETATM 2313 O HOH 2 13.380 33.143 -2.576 1.00 15.43 O HETATM 2314 O HOH 3 4.840 28.752 6.344 1.00 19.67 O HETATM 2315 O HOH 4 28.818 12.413 -4.126 1.00 16.10 O HETATM 2316 O HOH 5 25.467 32.410 -1.920 1.00 18.58 O HETATM 2317 O HOH 6 14.926 35.270 -2.952 1.00 20.67 O HETATM 2318 O HOH 7 22.823 23.362 13.870 1.00 21.37 O HETATM 2319 O HOH 8 21.054 36.659 -1.056 1.00 19.49 O HETATM 2320 O HOH 9 18.072 16.840 -0.251 1.00 24.38 O HETATM 2321 O HOH 10 9.334 38.763 -2.161 1.00 21.05 O HETATM 2322 O HOH 11 25.796 35.824 -6.140 1.00 19.31 O HETATM 2323 O HOH 12 30.946 13.929 1.715 1.00 18.94 O HETATM 2324 O HOH 13 14.988 31.191 14.952 1.00 22.20 O HETATM 2325 O HOH 14 25.758 36.377 -0.992 1.00 24.14 O HETATM 2326 O HOH 15 14.936 36.130 -7.832 1.00 23.56 O HETATM 2327 O HOH 16 26.987 12.979 2.395 1.00 28.55 O HETATM 2328 O HOH 17 13.740 42.989 14.126 1.00 35.35 O HETATM 2329 O HOH 18 21.915 17.642 10.724 1.00 26.77 O HETATM 2330 O HOH 19 15.852 34.065 14.589 1.00 27.29 O HETATM 2331 O HOH 20 28.482 16.220 7.951 1.00 26.77 O HETATM 2332 O HOH 21 16.609 15.749 1.691 1.00 26.21 O HETATM 2333 O HOH 22 4.245 28.827 -4.788 1.00 26.23 O HETATM 2334 O HOH 23 32.946 33.984 8.769 1.00 26.57 O HETATM 2335 O HOH 24 6.450 22.765 -0.933 1.00 31.11 O HETATM 2336 O HOH 25 21.058 42.882 2.892 1.00 26.93 O HETATM 2337 O HOH 26 26.275 15.241 -7.784 1.00 28.35 O HETATM 2338 O HOH 27 26.800 33.049 -4.159 1.00 28.00 O HETATM 2339 O HOH 28 21.277 26.262 -15.340 1.00 47.74 O HETATM 2340 O HOH 29 11.923 20.297 10.682 1.00 29.76 O HETATM 2341 O HOH 30 18.449 25.632 17.857 1.00 48.75 O HETATM 2342 O HOH 31 33.254 27.751 5.470 1.00 35.27 O HETATM 2343 O HOH 32 3.191 27.580 8.496 1.00 30.67 O HETATM 2344 O HOH 33 19.066 33.479 -17.894 1.00 26.06 O HETATM 2345 O HOH 34 0.990 37.681 6.379 1.00 30.40 O HETATM 2346 O HOH 35 22.427 15.909 4.849 1.00 29.27 O HETATM 2347 O HOH 36 17.677 32.127 17.863 1.00 53.86 O HETATM 2348 O HOH 37 29.295 27.859 12.224 1.00 29.31 O HETATM 2349 O HOH 38 15.438 21.249 -10.370 1.00 29.78 O HETATM 2350 O HOH 39 20.587 42.972 -0.252 1.00 39.52 O HETATM 2351 O HOH 40 30.529 37.897 -12.368 1.00 28.65 O HETATM 2352 O HOH 41 10.140 17.636 -2.224 1.00 40.69 O HETATM 2353 O HOH 42 23.989 30.126 -16.005 1.00 39.13 O HETATM 2354 O HOH 43 15.984 40.620 5.328 1.00 25.73 O HETATM 2355 O HOH 44 10.676 23.812 17.101 1.00 35.48 O HETATM 2356 O HOH 45 18.114 41.300 6.610 1.00 33.90 O HETATM 2357 O HOH 46 34.010 36.942 8.524 1.00 33.06 O HETATM 2358 O HOH 47 25.470 25.518 12.378 1.00 31.70 O HETATM 2359 O HOH 48 32.742 33.357 -8.655 1.00 39.92 O HETATM 2360 O HOH 49 22.145 15.226 -1.345 1.00 41.23 O HETATM 2361 O HOH 50 20.960 26.247 17.513 1.00 45.30 O HETATM 2362 O HOH 51 36.297 24.685 -4.975 1.00 39.54 O HETATM 2363 O HOH 52 32.366 36.015 -12.058 1.00 37.34 O HETATM 2364 O HOH 53 12.140 30.986 15.820 1.00 33.97 O HETATM 2365 O HOH 54 18.080 29.370 -11.949 1.00 54.02 O HETATM 2366 O HOH 55 33.874 24.051 -6.774 1.00 37.01 O HETATM 2367 O HOH 56 30.733 31.790 -4.320 1.00 31.40 O HETATM 2368 O HOH 57 31.298 37.782 1.254 1.00 44.13 O HETATM 2369 O HOH 58 4.442 38.751 7.143 1.00 32.19 O HETATM 2370 O HOH 59 20.350 17.143 8.564 1.00 34.46 O HETATM 2371 O HOH 60 3.847 34.264 -3.980 1.00 31.03 O HETATM 2372 O HOH 61 28.099 24.666 -18.064 1.00 39.32 O HETATM 2373 O HOH 62 34.244 19.887 -11.982 1.00 43.74 O HETATM 2374 O HOH 63 16.675 42.472 8.806 1.00 45.00 O HETATM 2375 O HOH 64 21.528 24.154 -17.720 1.00 56.66 O HETATM 2376 O HOH 65 25.739 39.362 -1.762 1.00 38.61 O HETATM 2377 O HOH 66 9.828 21.700 15.240 1.00 38.78 O HETATM 2378 O HOH 67 33.178 21.580 2.237 1.00 40.53 O HETATM 2379 O HOH 68 8.133 36.524 14.126 1.00 32.18 O HETATM 2380 O HOH 69 36.228 16.829 -5.663 1.00 43.61 O HETATM 2381 O HOH 70 10.431 18.507 8.413 1.00 41.30 O HETATM 2382 O HOH 71 37.244 32.226 -1.936 1.00 44.01 O HETATM 2383 O HOH 72 17.344 19.641 10.009 1.00 46.04 O HETATM 2384 O HOH 73 17.273 45.632 4.615 1.00 54.32 O HETATM 2385 O HOH 74 31.953 30.767 -16.855 1.00 63.92 O HETATM 2386 O HOH 75 28.061 16.347 10.667 1.00 54.05 O HETATM 2387 O HOH 76 23.918 18.458 18.743 1.00 65.72 O HETATM 2388 O HOH 77 14.522 36.412 -5.220 1.00 34.68 O HETATM 2389 O HOH 78 34.284 25.050 4.077 1.00 57.86 O HETATM 2390 O HOH 79 25.891 24.700 14.877 1.00 48.31 O HETATM 2391 O HOH 80 27.002 43.184 7.836 1.00 60.15 O HETATM 2392 O HOH 81 30.674 29.848 -5.562 1.00 34.59 O HETATM 2393 O HOH 82 11.706 20.023 -6.955 1.00 42.74 O HETATM 2394 O HOH 83 8.400 42.944 8.914 1.00 49.73 O HETATM 2395 O HOH 84 31.948 31.479 11.933 1.00 44.89 O HETATM 2396 O HOH 85 20.035 20.378 -15.837 1.00 47.61 O HETATM 2397 O HOH 86 3.967 27.775 14.847 1.00 38.89 O HETATM 2398 O HOH 87 15.745 22.485 16.011 1.00 39.40 O HETATM 2399 O HOH 88 15.553 47.760 -14.069 1.00 63.55 O HETATM 2400 O HOH 89 29.387 40.703 -8.036 1.00 68.51 O HETATM 2401 O HOH 90 22.565 42.633 -5.615 1.00 41.11 O HETATM 2402 O HOH 91 13.915 24.316 18.015 1.00 59.92 O HETATM 2403 O HOH 92 33.316 34.564 -4.846 1.00 82.06 O HETATM 2404 O HOH 93 22.180 15.459 12.400 1.00 52.91 O HETATM 2405 O HOH 94 13.655 15.571 9.664 1.00 40.60 O HETATM 2406 O HOH 95 7.015 21.633 -7.447 1.00 43.86 O HETATM 2407 O HOH 96 2.546 36.306 -5.637 1.00 45.59 O HETATM 2408 O HOH 97 25.432 42.718 -1.607 1.00 63.96 O HETATM 2409 O HOH 98 5.418 29.045 17.464 1.00 56.12 O HETATM 2410 O HOH 99 35.107 21.550 -15.748 1.00 56.08 O HETATM 2411 O HOH 100 30.124 23.574 12.199 1.00 42.57 O HETATM 2412 O HOH 101 3.735 37.120 13.342 1.00 62.24 O HETATM 2413 O HOH 102 4.325 23.521 0.897 1.00 40.42 O HETATM 2414 O HOH 103 6.079 18.714 0.586 1.00 53.79 O HETATM 2415 O HOH 104 20.899 41.311 -9.448 1.00 56.68 O HETATM 2416 O HOH 105 13.607 39.901 -8.321 1.00 50.65 O HETATM 2417 O HOH 106 37.430 19.021 -1.159 1.00 49.83 O HETATM 2418 O HOH 107 6.788 19.599 3.455 1.00 36.21 O HETATM 2419 O HOH 108 19.665 43.385 6.364 1.00 51.29 O HETATM 2420 O HOH 109 13.968 30.247 -11.955 1.00 52.57 O HETATM 2421 O HOH 110 15.343 11.972 3.072 1.00 58.23 O HETATM 2422 O HOH 111 4.217 25.646 17.440 1.00 51.75 O HETATM 2423 O HOH 112 18.575 14.384 3.494 1.00 44.99 O HETATM 2424 O HOH 113 13.094 21.671 -13.680 1.00 62.74 O HETATM 2425 O HOH 114 38.653 35.635 3.881 1.00 47.06 O HETATM 2426 O HOH 115 3.116 31.952 -5.094 1.00 52.15 O HETATM 2427 O HOH 116 11.571 49.133 6.342 1.00 61.55 O HETATM 2428 O HOH 117 28.774 37.181 16.261 1.00 51.24 O HETATM 2429 O HOH 118 27.461 39.398 14.693 1.00 36.65 O HETATM 2430 O HOH 119 25.720 42.370 -8.886 1.00 40.93 O HETATM 2431 O HOH 120 33.322 35.900 -9.580 1.00 65.68 O HETATM 2432 O HOH 121 40.606 25.420 -8.278 1.00 59.38 O HETATM 2433 O HOH 122 22.321 15.840 14.998 1.00 57.25 O HETATM 2434 O HOH 123 41.513 25.305 -2.723 1.00 60.08 O HETATM 2435 O HOH 124 27.521 26.700 14.141 1.00 57.48 O HETATM 2436 O HOH 125 36.718 28.295 -6.511 1.00 72.67 O HETATM 2437 O HOH 126 3.669 40.568 -9.118 1.00 68.68 O HETATM 2438 O HOH 127 9.089 41.517 15.403 1.00 53.15 O HETATM 2439 O HOH 128 23.323 21.284 20.525 1.00 60.87 O HETATM 2440 O HOH 129 33.711 36.495 1.301 1.00 43.10 O HETATM 2441 O HOH 130 28.945 27.114 -17.225 1.00 40.83 O HETATM 2442 O HOH 131 27.846 20.301 -19.086 1.00 59.01 O HETATM 2443 O HOH 132 28.003 39.490 -6.038 1.00 53.21 O HETATM 2444 O HOH 133 13.351 21.893 -7.945 1.00 55.47 O HETATM 2445 O HOH 134 35.534 17.774 3.278 1.00 62.65 O HETATM 2446 O HOH 135 22.875 26.898 -18.408 1.00 53.28 O HETATM 2447 O HOH 136 17.956 42.640 -2.998 1.00 52.66 O HETATM 2448 O HOH 137 32.908 38.614 -6.540 1.00 61.44 O HETATM 2449 O HOH 138 39.631 32.447 -0.156 1.00 54.69 O HETATM 2450 O HOH 139 5.930 46.739 2.858 1.00 73.70 O HETATM 2451 O HOH 140 4.829 18.345 9.772 1.00 62.81 O HETATM 2452 O HOH 141 13.797 46.823 8.008 1.00 68.80 O HETATM 2453 O HOH 142 9.180 34.640 15.752 1.00 24.55 O HETATM 2454 O HOH 143 20.883 16.266 0.568 1.00 30.16 O HETATM 2455 O HOH 144 32.950 34.768 13.261 1.00 55.53 O HETATM 2456 O HOH 145 30.587 39.270 -10.025 1.00 45.64 O HETATM 2457 O HOH 146 10.557 38.570 -5.896 1.00 46.19 O HETATM 2458 O HOH 147 34.299 35.639 11.190 1.00 57.29 O HETATM 2459 O HOH 148 29.696 12.997 5.576 1.00 48.86 O HETATM 2460 O HOH 149 15.602 33.447 18.830 1.00 48.45 O HETATM 2461 O HOH 150 27.563 13.475 7.096 1.00 47.67 O HETATM 2462 O HOH 151 24.669 42.644 9.987 1.00 39.16 O HETATM 2463 O HOH 152 18.768 14.231 6.361 1.00 49.76 O HETATM 2464 O HOH 153 28.558 23.539 18.602 1.00 67.72 O HETATM 2465 O HOH 154 31.315 17.352 8.155 1.00 42.42 O HETATM 2466 O HOH 155 10.936 15.745 -8.556 1.00 49.72 O HETATM 2467 O HOH 156 7.594 30.633 17.609 1.00 53.29 O HETATM 2468 O HOH 157 -0.440 19.307 -14.858 1.00 66.95 O HETATM 2469 O HOH 158 1.444 19.612 0.056 1.00 75.99 O HETATM 2470 O HOH 159 13.552 42.207 -12.119 1.00 53.16 O HETATM 2471 O HOH 160 25.058 28.806 -18.083 1.00 45.61 O HETATM 2472 O HOH 161 20.196 29.555 -18.236 1.00 53.78 O HETATM 2473 O HOH 162 23.615 26.261 19.163 1.00 78.69 O HETATM 2474 O HOH 163 1.520 21.025 -7.801 1.00 47.86 O HETATM 2475 O HOH 164 14.431 44.002 5.577 1.00 58.53 O HETATM 2476 O HOH 165 38.857 16.869 -5.250 1.00 45.12 O HETATM 2477 O HOH 166 22.923 17.397 -14.246 1.00 46.27 O HETATM 2478 O HOH 167 13.134 18.484 -16.063 1.00 64.85 O HETATM 2479 O HOH 168 7.941 27.632 19.102 1.00 63.01 O HETATM 2480 O HOH 169 -1.207 18.415 -2.849 1.00 60.36 O HETATM 2481 O HOH 170 7.889 29.623 -10.562 1.00 58.22 O HETATM 2482 O HOH 171 25.584 16.867 -13.934 1.00 52.04 O HETATM 2483 O HOH 172 21.260 51.928 3.500 1.00 62.26 O HETATM 2484 O HOH 173 1.011 25.787 10.115 1.00 52.20 O HETATM 2485 O HOH 174 20.736 44.076 -14.729 1.00 22.72 O HETATM 2486 O HOH 175 21.760 34.810 17.097 1.00 26.08 O HETATM 2487 O HOH 176 14.460 40.915 -16.155 1.00 28.30 O HETATM 2488 O HOH 177 5.476 20.697 6.962 1.00 60.84 O HETATM 2489 O HOH 178 8.250 38.884 15.421 1.00 44.70 O HETATM 2490 O HOH 179 15.624 27.636 17.225 1.00 46.27 O HETATM 2491 O HOH 180 18.046 26.691 -13.809 1.00 63.31 O HETATM 2492 O HOH 181 6.365 34.711 -9.418 1.00 63.55 O HETATM 2493 O HOH 182 8.738 27.389 -9.253 1.00 61.77 O HETATM 2494 O HOH 183 6.965 36.886 -6.529 1.00 61.49 O HETATM 2495 O HOH 184 13.000 32.442 -10.622 1.00 47.14 O HETATM 2496 O HOH 185 -0.023 37.133 -5.974 1.00 63.02 O HETATM 2497 O HOH 186 38.641 32.977 4.399 1.00 56.78 O HETATM 2498 O HOH 187 13.962 34.024 16.777 1.00 54.37 O HETATM 2499 O HOH 188 22.962 43.005 -8.456 1.00 54.30 O HETATM 2500 O HOH 189 8.195 42.678 18.147 1.00 60.01 O HETATM 2501 O HOH 190 -0.207 24.183 -8.519 1.00 64.31 O HETATM 2502 O HOH 191 32.735 19.184 4.090 1.00 55.59 O HETATM 2503 O HOH 192 3.102 42.647 0.640 1.00 57.12 O HETATM 2504 O HOH 193 12.731 35.988 -9.870 1.00 48.93 O HETATM 2505 O HOH 194 16.845 14.614 -14.848 1.00 53.79 O HETATM 2506 O HOH 195 32.091 41.004 1.822 1.00 60.30 O HETATM 2507 O HOH 196 15.601 19.869 -13.379 1.00 56.57 O HETATM 2508 O HOH 197 10.355 37.169 -9.387 1.00 74.83 O HETATM 2509 O HOH 198 17.878 11.796 3.997 1.00 64.60 O HETATM 2510 O HOH 199 14.822 16.095 -13.547 1.00 68.71 O HETATM 2511 O HOH 200 0.477 24.977 12.661 1.00 52.79 O HETATM 2512 O HOH 201 10.408 31.338 -10.362 1.00 61.02 O HETATM 2513 O HOH 202 35.821 32.246 10.803 1.00 51.38 O HETATM 2514 O HOH 203 32.121 20.538 -18.730 1.00 64.66 O HETATM 2515 O HOH 204 -1.569 22.590 -2.912 1.00 51.15 O HETATM 2516 O HOH 205 1.303 23.366 -2.156 1.00 77.47 O HETATM 2517 O HOH 206 16.282 38.209 -8.933 1.00 47.64 O HETATM 2518 O HOH 207 26.977 39.617 0.599 1.00 44.24 O HETATM 2519 O HOH 208 17.535 14.903 -2.321 1.00 40.22 O HETATM 2520 O HOH 209 2.772 27.989 11.262 1.00 27.93 O HETATM 2521 O HOH 210 27.579 24.130 12.787 1.00 63.56 O HETATM 2522 O HOH 211 15.919 43.112 12.758 1.00 44.74 O HETATM 2523 O HOH 212 1.023 25.974 -4.084 1.00 54.58 O HETATM 2524 O HOH 213 -0.005 23.342 -5.410 1.00 55.68 O HETATM 2525 O HOH 214 1.292 25.289 -6.491 1.00 63.45 O HETATM 2526 O HOH 215 16.735 17.887 -11.893 1.00 57.72 O HETATM 2527 O HOH 216 14.328 18.828 -10.789 1.00 54.42 O HETATM 2528 O HOH 217 18.035 12.474 0.062 1.00 68.21 O HETATM 2529 O HOH 218 17.103 21.460 18.509 1.00 47.20 O HETATM 2530 O HOH 219 20.811 15.820 -14.731 1.00 73.47 O HETATM 2531 O HOH 220 35.497 31.254 -6.284 1.00 54.64 O HETATM 2532 O HOH 221 23.470 13.105 5.238 1.00 59.40 O HETATM 2533 O HOH 222 29.496 40.998 0.533 1.00 73.73 O HETATM 2534 O HOH 223 32.843 14.272 6.645 1.00 63.20 O HETATM 2535 O HOH 224 22.774 47.255 3.944 1.00 66.86 O HETATM 2536 O HOH 225 37.502 33.823 -8.464 1.00 65.54 O HETATM 2537 C1 UNN A 226 29.484 28.233 5.405 1.00 -0.07 C HETATM 2538 C9 UNN A 226 29.384 29.110 4.345 1.00 -0.06 C HETATM 2539 C18 UNN A 226 28.141 29.366 3.797 1.00 0.03 C HETATM 2540 CL4 UNN A 226 28.020 30.449 2.459 1.00 -0.08 CL HETATM 2541 C10 UNN A 226 27.006 28.764 4.296 1.00 -0.06 C HETATM 2542 C2 UNN A 226 27.109 27.875 5.343 1.00 -0.07 C HETATM 2543 C12 UNN A 226 28.347 27.624 5.914 1.00 -0.05 C HETATM 2544 C19 UNN A 226 28.479 26.660 7.009 1.00 -0.04 C HETATM 2545 C20 UNN A 226 28.857 26.962 8.274 1.00 0.01 C HETATM 2546 C23 UNN A 226 29.026 25.861 9.279 1.00 0.09 C HETATM 2547 O45 UNN A 226 28.238 24.707 8.944 1.00 -0.36 O HETATM 2548 C30 UNN A 226 28.539 24.226 7.633 1.00 0.05 C HETATM 2549 C22 UNN A 226 28.172 25.258 6.577 1.00 -0.01 C HETATM 2550 H12 UNN A 226 28.739 25.040 5.660 1.00 0.04 H HETATM 2551 H13 UNN A 226 27.095 25.181 6.369 1.00 0.04 H HETATM 2552 H28 UNN A 226 29.616 24.011 7.567 1.00 0.06 H HETATM 2553 H29 UNN A 226 27.969 23.304 7.448 1.00 0.06 H HETATM 2554 H14 UNN A 226 28.715 26.230 10.267 1.00 0.08 H HETATM 2555 H15 UNN A 226 30.086 25.570 9.314 1.00 0.08 H HETATM 2556 C34 UNN A 226 29.157 28.340 8.783 1.00 0.00 C HETATM 2557 N36 UNN A 226 28.193 28.915 9.790 1.00 0.25 N HETATM 2558 C28 UNN A 226 26.756 28.561 9.550 1.00 -0.01 C HETATM 2559 C26 UNN A 226 25.922 29.031 10.733 1.00 0.07 C HETATM 2560 N35 UNN A 226 26.144 30.473 10.903 1.00 -0.30 N HETATM 2561 C14 UNN A 226 25.156 31.201 11.656 1.00 0.05 C HETATM 2562 C5 UNN A 226 23.871 30.706 11.830 1.00 -0.04 C HETATM 2563 C3 UNN A 226 22.914 31.427 12.532 1.00 -0.05 C HETATM 2564 C13 UNN A 226 23.248 32.652 13.074 1.00 0.04 C HETATM 2565 C4 UNN A 226 24.518 33.173 12.923 1.00 -0.05 C HETATM 2566 C6 UNN A 226 25.455 32.442 12.212 1.00 -0.04 C HETATM 2567 H6 UNN A 226 26.452 32.848 12.084 1.00 0.05 H HETATM 2568 H4 UNN A 226 24.776 34.134 13.352 1.00 0.06 H HETATM 2569 C21 UNN A 226 22.232 33.457 13.788 1.00 0.22 C HETATM 2570 N38 UNN A 226 20.943 32.918 13.695 1.00 -0.16 N HETATM 2571 S47 UNN A 226 19.570 33.773 14.169 1.00 0.09 S HETATM 2572 C17 UNN A 226 19.564 35.222 13.138 1.00 0.11 C HETATM 2573 C8 UNN A 226 20.174 36.393 13.543 1.00 -0.04 C HETATM 2574 C7 UNN A 226 20.139 37.503 12.715 1.00 -0.03 C HETATM 2575 C15 UNN A 226 19.504 37.459 11.478 1.00 0.08 C HETATM 2576 C16 UNN A 226 18.883 36.267 11.120 1.00 0.22 C HETATM 2577 C11 UNN A 226 18.890 35.159 11.939 1.00 -0.00 C HETATM 2578 H11 UNN A 226 18.373 34.253 11.644 1.00 0.07 H HETATM 2579 N39 UNN A 226 18.166 36.091 9.865 1.00 0.31 N HETATM 2580 O40 UNN A 226 17.679 34.985 9.637 1.00 0.17 O HETATM 2581 O42 UNN A 226 18.071 37.038 9.093 1.00 0.17 O HETATM 2582 N37 UNN A 226 19.439 38.560 10.590 1.00 -0.31 N HETATM 2583 C33 UNN A 226 20.159 39.798 10.903 1.00 0.04 C HETATM 2584 C24 UNN A 226 19.331 40.658 11.842 1.00 -0.01 C HETATM 2585 C31 UNN A 226 20.026 41.996 12.047 1.00 0.05 C HETATM 2586 O46 UNN A 226 20.065 42.688 10.803 1.00 -0.38 O HETATM 2587 C32 UNN A 226 20.870 41.988 9.833 1.00 0.05 C HETATM 2588 C25 UNN A 226 20.365 40.566 9.592 1.00 -0.01 C HETATM 2589 H18 UNN A 226 21.101 40.027 8.977 1.00 0.03 H HETATM 2590 H19 UNN A 226 19.406 40.616 9.056 1.00 0.03 H HETATM 2591 H32 UNN A 226 20.842 42.541 8.883 1.00 0.06 H HETATM 2592 H33 UNN A 226 21.906 41.940 10.199 1.00 0.06 H HETATM 2593 H30 UNN A 226 21.051 41.829 12.409 1.00 0.06 H HETATM 2594 H31 UNN A 226 19.469 42.593 12.785 1.00 0.06 H HETATM 2595 H16 UNN A 226 18.335 40.825 11.405 1.00 0.03 H HETATM 2596 H17 UNN A 226 19.226 40.147 12.810 1.00 0.03 H HETATM 2597 H34 UNN A 226 21.129 39.564 11.366 1.00 0.06 H HETATM 2598 H38 UNN A 226 18.886 38.491 9.724 1.00 0.18 H HETATM 2599 H7 UNN A 226 20.615 38.422 13.037 1.00 0.05 H HETATM 2600 H8 UNN A 226 20.677 36.443 14.502 1.00 0.06 H HETATM 2601 O43 UNN A 226 18.402 32.961 13.868 1.00 -0.15 O HETATM 2602 O44 UNN A 226 19.747 34.225 15.543 1.00 -0.15 O HETATM 2603 H39 UNN A 226 20.833 31.992 13.334 1.00 0.21 H HETATM 2604 O41 UNN A 226 22.463 34.519 14.343 1.00 -0.39 O HETATM 2605 H3 UNN A 226 21.912 31.031 12.653 1.00 0.06 H HETATM 2606 H5 UNN A 226 23.610 29.741 11.411 1.00 0.05 H HETATM 2607 C27 UNN A 226 27.526 30.923 11.089 1.00 0.07 C HETATM 2608 C29 UNN A 226 28.424 30.384 9.973 1.00 -0.01 C HETATM 2609 H26 UNN A 226 29.477 30.556 10.239 1.00 0.08 H HETATM 2610 H27 UNN A 226 28.192 30.908 9.034 1.00 0.08 H HETATM 2611 H22 UNN A 226 27.553 32.023 11.075 1.00 0.06 H HETATM 2612 H23 UNN A 226 27.897 30.559 12.059 1.00 0.06 H HETATM 2613 H20 UNN A 226 26.231 28.496 11.643 1.00 0.06 H HETATM 2614 H21 UNN A 226 24.857 28.838 10.538 1.00 0.06 H HETATM 2615 H24 UNN A 226 26.404 29.054 8.632 1.00 0.08 H HETATM 2616 H25 UNN A 226 26.659 27.471 9.441 1.00 0.08 H HETATM 2617 H37 UNN A 226 28.429 28.485 10.671 1.00 0.21 H HETATM 2618 H35 UNN A 226 29.178 29.018 7.917 1.00 0.10 H HETATM 2619 H36 UNN A 226 30.152 28.313 9.252 1.00 0.10 H HETATM 2620 H2 UNN A 226 26.225 27.373 5.719 1.00 0.05 H HETATM 2621 H10 UNN A 226 26.037 28.989 3.866 1.00 0.06 H HETATM 2622 H9 UNN A 226 30.269 29.593 3.947 1.00 0.06 H HETATM 2623 H1 UNN A 226 30.453 28.020 5.841 1.00 0.05 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 475 476 485 486 487 CONECT 485 475 CONECT 486 475 CONECT 487 475 CONECT 2537 2538 2543 2623 CONECT 2538 2537 2539 2622 CONECT 2539 2538 2540 2541 CONECT 2540 2539 CONECT 2541 2539 2542 2621 CONECT 2542 2541 2543 2620 CONECT 2543 2537 2542 2544 CONECT 2544 2543 2545 2549 CONECT 2545 2544 2546 2556 CONECT 2546 2545 2547 2554 2555 CONECT 2547 2546 2548 CONECT 2548 2547 2549 2552 2553 CONECT 2549 2544 2548 2550 2551 CONECT 2550 2549 CONECT 2551 2549 CONECT 2552 2548 CONECT 2553 2548 CONECT 2554 2546 CONECT 2555 2546 CONECT 2556 2545 2557 2618 2619 CONECT 2557 2556 2558 2608 2617 CONECT 2558 2557 2559 2615 2616 CONECT 2559 2558 2560 2613 2614 CONECT 2560 2559 2561 2607 CONECT 2561 2560 2562 2566 CONECT 2562 2561 2563 2606 CONECT 2563 2562 2564 2605 CONECT 2564 2563 2565 2569 CONECT 2565 2564 2566 2568 CONECT 2566 2561 2565 2567 CONECT 2567 2566 CONECT 2568 2565 CONECT 2569 2564 2570 2604 CONECT 2570 2569 2571 2603 CONECT 2571 2570 2572 2601 2602 CONECT 2572 2571 2573 2577 CONECT 2573 2572 2574 2600 CONECT 2574 2573 2575 2599 CONECT 2575 2574 2576 2582 CONECT 2576 2575 2577 2579 CONECT 2577 2572 2576 2578 CONECT 2578 2577 CONECT 2579 2576 2580 2581 CONECT 2580 2579 CONECT 2581 2579 CONECT 2582 2575 2583 2598 CONECT 2583 2582 2584 2588 2597 CONECT 2584 2583 2585 2595 2596 CONECT 2585 2584 2586 2593 2594 CONECT 2586 2585 2587 CONECT 2587 2586 2588 2591 2592 CONECT 2588 2583 2587 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2587 CONECT 2592 2587 CONECT 2593 2585 CONECT 2594 2585 CONECT 2595 2584 CONECT 2596 2584 CONECT 2597 2583 CONECT 2598 2582 CONECT 2599 2574 CONECT 2600 2573 CONECT 2601 2571 CONECT 2602 2571 CONECT 2603 2570 CONECT 2604 2569 CONECT 2605 2563 CONECT 2606 2562 CONECT 2607 2560 2608 2611 2612 CONECT 2608 2557 2607 2609 2610 CONECT 2609 2608 CONECT 2610 2608 CONECT 2611 2607 CONECT 2612 2607 CONECT 2613 2559 CONECT 2614 2559 CONECT 2615 2558 CONECT 2616 2558 CONECT 2617 2557 CONECT 2618 2556 CONECT 2619 2556 CONECT 2620 2542 CONECT 2621 2541 CONECT 2622 2538 CONECT 2623 2537 MASTER 0 0 0 0 0 0 0 0 2621 2 95 12 END
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Structure:
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Related entries of code: 4lxd
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Protein Sequence Similarity
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PDBbind
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6o0m
RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4lxd
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Apoptosis regulator Bcl-2
Ligand Name
1XV
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=59nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) NAT.MED. (N.Y.) Vol. 19: pp. 202-208
Ligand Properties
Formula
C
3
4
H
3
9
ClN
5
O
7
S
Molecular Weight
697.221
Exact Mass
696.226
No. of atoms
87
No. of bonds
92
Polar Surface Area
155.61
LOGP Value
4.73 (
Computed with XLOGP3
)
7.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 6
Canonical SMILES
Clc1ccc(cc1)C1=C(COCC1)C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(c(c1)N(=O)=O)NC1CCOCC1
InChI String
InChI=1S/C34H38ClN5O7S/c35-27-5-1-24(2-6-27)31-13-20-47-23-26(31)22-38-14-16-39(17-15-38)29-7-3-25(4-8-29)34(41)37-48(44,45)30-9-10-32(33(21-30)40(42)43)36-28-11-18-46-19-12-28/h1-10,21,28,36H,11-20,22-23H2,(H,37,41)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10415
Entrez Gene ID
NCBI Entrez Gene ID:
596
ASD
Information of known allosteric effects of PDB entries
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