Browse entries in the PDBbind-CN Database
HEADER 2O22_COMPLEX COMPND 2O22_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 HIS ALA GLY ARG THR GLY TYR ASP ASN ARG GLU ILE VAL SEQRES 2 A 164 MET LYS TYR ILE HIS TYR LYS LEU SER GLN ARG GLY TYR SEQRES 3 A 164 GLU TRP ASP ALA GLY ASP ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 164 GLU ALA PRO GLU GLY THR GLU SER GLU VAL VAL HIS LEU SEQRES 5 A 164 THR LEU ARG GLN ALA GLY ASP ASP PHE SER ARG ARG TYR SEQRES 6 A 164 ARG ARG ASP PHE ALA GLU MET SER SER GLN LEU HIS LEU SEQRES 7 A 164 THR PRO PHE THR ALA ARG GLY ARG PHE ALA THR VAL VAL SEQRES 8 A 164 GLU GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE SEQRES 9 A 164 VAL ALA PHE PHE GLU PHE GLY GLY VAL MET CYS VAL GLU SEQRES 10 A 164 SER VAL ASN ARG GLU MET SER PRO LEU VAL ASP ASN ILE SEQRES 11 A 164 ALA LEU TRP MET THR GLU TYR LEU ASN ARG HIS LEU HIS SEQRES 12 A 164 THR TRP ILE GLN ASP ASN GLY GLY TRP ASP ALA PHE VAL SEQRES 13 A 164 GLU LEU TYR GLY PRO SER MET ARG HET LIU A 165 77 ATOM 1 N HIS A 1 -21.171 17.489 -13.500 1.00 9.43 N ATOM 2 CA HIS A 1 -19.854 18.122 -13.224 1.00 8.75 C ATOM 3 C HIS A 1 -18.910 17.148 -12.527 1.00 7.90 C ATOM 4 O HIS A 1 -19.240 16.589 -11.481 1.00 8.06 O ATOM 5 CB HIS A 1 -20.080 19.356 -12.348 1.00 9.00 C ATOM 6 CG HIS A 1 -19.072 20.441 -12.573 1.00 9.67 C ATOM 7 ND1 HIS A 1 -17.755 20.190 -12.892 1.00 10.29 N ATOM 8 CD2 HIS A 1 -19.195 21.788 -12.523 1.00 10.04 C ATOM 9 CE1 HIS A 1 -17.111 21.336 -13.027 1.00 10.95 C ATOM 10 NE2 HIS A 1 -17.963 22.320 -12.810 1.00 10.82 N ATOM 11 HA HIS A 1 -19.391 18.410 -14.168 1.00 0.00 H ATOM 12 HB2 HIS A 1 -21.071 19.755 -12.563 1.00 0.00 H ATOM 13 HB3 HIS A 1 -20.032 19.051 -11.303 1.00 0.00 H ATOM 14 HD2 HIS A 1 -20.103 22.346 -12.297 1.00 0.00 H ATOM 15 HE1 HIS A 1 -16.056 21.449 -13.275 1.00 0.00 H ATOM 16 HN3 HIS A 1 -21.605 17.189 -12.604 1.00 0.00 H ATOM 17 HN2 HIS A 1 -21.034 16.661 -14.114 1.00 0.00 H ATOM 18 HN1 HIS A 1 -21.792 18.176 -13.974 1.00 0.00 H ATOM 19 N ALA A 2 -17.734 16.948 -13.114 1.00 7.25 N ATOM 20 CA ALA A 2 -16.743 16.041 -12.548 1.00 6.65 C ATOM 21 C ALA A 2 -15.505 15.957 -13.435 1.00 5.95 C ATOM 22 O ALA A 2 -15.281 14.953 -14.111 1.00 6.36 O ATOM 23 CB ALA A 2 -17.346 14.659 -12.348 1.00 6.91 C ATOM 24 HA ALA A 2 -16.437 16.436 -11.579 1.00 0.00 H ATOM 25 HB1 ALA A 2 -18.195 14.729 -11.668 1.00 0.00 H ATOM 26 HB2 ALA A 2 -17.680 14.267 -13.309 1.00 0.00 H ATOM 27 HB3 ALA A 2 -16.594 13.993 -11.925 1.00 0.00 H ATOM 28 H ALA A 2 -17.516 17.451 -13.998 1.00 0.00 H ATOM 29 N GLY A 3 -14.705 17.018 -13.426 1.00 5.22 N ATOM 30 CA GLY A 3 -13.499 17.043 -14.234 1.00 4.87 C ATOM 31 C GLY A 3 -13.752 16.620 -15.668 1.00 4.11 C ATOM 32 O GLY A 3 -14.900 16.507 -16.096 1.00 4.13 O ATOM 33 HA3 GLY A 3 -12.768 16.365 -13.793 1.00 0.00 H ATOM 34 HA2 GLY A 3 -13.099 18.057 -14.234 1.00 0.00 H ATOM 35 H GLY A 3 -14.945 17.839 -12.834 1.00 0.00 H ATOM 36 N ARG A 4 -12.675 16.383 -16.411 1.00 3.87 N ATOM 37 CA ARG A 4 -12.785 15.969 -17.805 1.00 3.47 C ATOM 38 C ARG A 4 -11.675 14.989 -18.171 1.00 2.89 C ATOM 39 O ARG A 4 -11.219 14.952 -19.313 1.00 3.10 O ATOM 40 CB ARG A 4 -12.730 17.188 -18.727 1.00 4.21 C ATOM 41 CG ARG A 4 -13.722 17.128 -19.877 1.00 4.92 C ATOM 42 CD ARG A 4 -13.035 16.788 -21.189 1.00 5.56 C ATOM 43 NE ARG A 4 -12.325 17.936 -21.748 1.00 6.18 N ATOM 44 CZ ARG A 4 -12.930 19.014 -22.245 1.00 6.90 C ATOM 45 NH1 ARG A 4 -14.255 19.101 -22.253 1.00 7.18 N ATOM 46 NH2 ARG A 4 -12.205 20.011 -22.734 1.00 7.61 N ATOM 47 HA ARG A 4 -13.744 15.468 -17.934 1.00 0.00 H ATOM 48 HB2 ARG A 4 -12.942 18.078 -18.135 1.00 0.00 H ATOM 49 HB3 ARG A 4 -11.725 17.261 -19.142 1.00 0.00 H ATOM 50 HG2 ARG A 4 -14.470 16.365 -19.660 1.00 0.00 H ATOM 51 HG3 ARG A 4 -14.211 18.097 -19.974 1.00 0.00 H ATOM 52 HD2 ARG A 4 -13.787 16.456 -21.905 1.00 0.00 H ATOM 53 HD3 ARG A 4 -12.321 15.983 -21.015 1.00 0.00 H ATOM 54 HE ARG A 4 -11.285 17.910 -21.759 1.00 0.00 H ATOM 55 HH12 ARG A 4 -14.718 19.946 -22.643 1.00 0.00 H ATOM 56 HH11 ARG A 4 -14.829 18.324 -21.869 1.00 0.00 H ATOM 57 HH22 ARG A 4 -12.675 20.854 -23.123 1.00 0.00 H ATOM 58 HH21 ARG A 4 -11.167 19.950 -22.729 1.00 0.00 H ATOM 59 H ARG A 4 -11.732 16.496 -15.988 1.00 0.00 H ATOM 60 N THR A 5 -11.244 14.198 -17.193 1.00 2.72 N ATOM 61 CA THR A 5 -10.187 13.219 -17.414 1.00 2.54 C ATOM 62 C THR A 5 -10.765 11.816 -17.563 1.00 2.39 C ATOM 63 O THR A 5 -10.437 11.095 -18.505 1.00 3.05 O ATOM 64 CB THR A 5 -9.184 13.250 -16.260 1.00 2.98 C ATOM 65 OG1 THR A 5 -8.726 14.571 -16.031 1.00 3.66 O ATOM 66 CG2 THR A 5 -7.970 12.379 -16.498 1.00 3.57 C ATOM 67 HA THR A 5 -9.674 13.480 -18.339 1.00 0.00 H ATOM 68 HB THR A 5 -9.725 12.863 -15.396 1.00 0.00 H ATOM 69 HG1 THR A 5 -8.285 14.912 -16.849 1.00 0.00 H ATOM 70 HG23 THR A 5 -8.290 11.353 -16.678 1.00 0.00 H ATOM 71 HG21 THR A 5 -7.424 12.748 -17.366 1.00 0.00 H ATOM 72 HG22 THR A 5 -7.324 12.411 -15.621 1.00 0.00 H ATOM 73 H THR A 5 -11.671 14.280 -16.248 1.00 0.00 H ATOM 74 N GLY A 6 -11.624 11.434 -16.624 1.00 2.11 N ATOM 75 CA GLY A 6 -12.233 10.117 -16.668 1.00 2.26 C ATOM 76 C GLY A 6 -11.541 9.129 -15.751 1.00 1.66 C ATOM 77 O GLY A 6 -11.438 7.944 -16.069 1.00 2.05 O ATOM 78 HA3 GLY A 6 -12.182 9.741 -17.690 1.00 0.00 H ATOM 79 HA2 GLY A 6 -13.277 10.203 -16.366 1.00 0.00 H ATOM 80 H GLY A 6 -11.863 12.085 -15.849 1.00 0.00 H ATOM 81 N TYR A 7 -11.066 9.618 -14.611 1.00 1.35 N ATOM 82 CA TYR A 7 -10.378 8.773 -13.642 1.00 0.88 C ATOM 83 C TYR A 7 -11.195 7.524 -13.329 1.00 0.93 C ATOM 84 O TYR A 7 -12.420 7.581 -13.221 1.00 1.80 O ATOM 85 CB TYR A 7 -10.111 9.554 -12.355 1.00 0.93 C ATOM 86 CG TYR A 7 -11.310 10.332 -11.860 1.00 0.79 C ATOM 87 CD1 TYR A 7 -12.272 9.727 -11.060 1.00 1.14 C ATOM 88 CD2 TYR A 7 -11.481 11.669 -12.193 1.00 1.52 C ATOM 89 CE1 TYR A 7 -13.370 10.433 -10.607 1.00 1.16 C ATOM 90 CE2 TYR A 7 -12.575 12.383 -11.743 1.00 1.47 C ATOM 91 CZ TYR A 7 -13.517 11.761 -10.951 1.00 0.70 C ATOM 92 OH TYR A 7 -14.608 12.468 -10.500 1.00 0.76 O ATOM 93 HA TYR A 7 -9.428 8.464 -14.078 1.00 0.00 H ATOM 94 HB3 TYR A 7 -9.297 10.255 -12.539 1.00 0.00 H ATOM 95 HB2 TYR A 7 -9.813 8.849 -11.579 1.00 0.00 H ATOM 96 HD2 TYR A 7 -10.739 12.164 -12.820 1.00 0.00 H ATOM 97 HE2 TYR A 7 -12.693 13.433 -12.013 1.00 0.00 H ATOM 98 HE1 TYR A 7 -14.116 9.943 -9.981 1.00 0.00 H ATOM 99 HD1 TYR A 7 -12.158 8.678 -10.785 1.00 0.00 H ATOM 100 HH TYR A 7 -15.179 11.876 -9.950 1.00 0.00 H ATOM 101 H TYR A 7 -11.188 10.630 -14.404 1.00 0.00 H ATOM 102 N ASP A 8 -10.507 6.398 -13.180 1.00 0.49 N ATOM 103 CA ASP A 8 -11.163 5.134 -12.874 1.00 0.47 C ATOM 104 C ASP A 8 -10.279 4.268 -11.985 1.00 0.40 C ATOM 105 O ASP A 8 -9.192 3.856 -12.388 1.00 0.38 O ATOM 106 CB ASP A 8 -11.501 4.383 -14.163 1.00 0.57 C ATOM 107 CG ASP A 8 -11.490 5.289 -15.379 1.00 1.10 C ATOM 108 OD1 ASP A 8 -10.393 5.543 -15.921 1.00 1.60 O ATOM 109 OD2 ASP A 8 -12.578 5.744 -15.791 1.00 1.91 O ATOM 110 HA ASP A 8 -12.087 5.353 -12.338 1.00 0.00 H ATOM 111 HB2 ASP A 8 -10.767 3.591 -14.310 1.00 0.00 H ATOM 112 HB3 ASP A 8 -12.493 3.943 -14.063 1.00 0.00 H ATOM 113 H ASP A 8 -9.472 6.419 -13.285 1.00 0.00 H ATOM 114 N ASN A 9 -10.752 3.999 -10.772 1.00 0.43 N ATOM 115 CA ASN A 9 -10.003 3.178 -9.825 1.00 0.46 C ATOM 116 C ASN A 9 -9.510 1.902 -10.499 1.00 0.42 C ATOM 117 O ASN A 9 -8.415 1.416 -10.217 1.00 0.48 O ATOM 118 CB ASN A 9 -10.873 2.827 -8.613 1.00 0.58 C ATOM 119 CG ASN A 9 -11.615 4.029 -8.063 1.00 1.29 C ATOM 120 OD1 ASN A 9 -11.031 4.886 -7.400 1.00 2.25 O ATOM 121 ND2 ASN A 9 -12.913 4.098 -8.339 1.00 1.67 N ATOM 122 HA ASN A 9 -9.141 3.751 -9.484 1.00 0.00 H ATOM 123 HB2 ASN A 9 -11.601 2.073 -8.912 1.00 0.00 H ATOM 124 HB3 ASN A 9 -10.233 2.422 -7.829 1.00 0.00 H ATOM 125 HD22 ASN A 9 -13.365 3.350 -8.903 1.00 0.00 H ATOM 126 HD21 ASN A 9 -13.477 4.900 -7.991 1.00 0.00 H ATOM 127 H ASN A 9 -11.677 4.382 -10.491 1.00 0.00 H ATOM 128 N ARG A 10 -10.332 1.370 -11.396 1.00 0.39 N ATOM 129 CA ARG A 10 -9.999 0.152 -12.127 1.00 0.38 C ATOM 130 C ARG A 10 -8.785 0.352 -13.029 1.00 0.35 C ATOM 131 O ARG A 10 -7.906 -0.507 -13.097 1.00 0.33 O ATOM 132 CB ARG A 10 -11.195 -0.314 -12.963 1.00 0.45 C ATOM 133 CG ARG A 10 -11.880 0.799 -13.742 1.00 1.12 C ATOM 134 CD ARG A 10 -11.827 0.544 -15.239 1.00 1.47 C ATOM 135 NE ARG A 10 -12.250 1.713 -16.008 1.00 1.97 N ATOM 136 CZ ARG A 10 -13.506 2.153 -16.065 1.00 2.52 C ATOM 137 NH1 ARG A 10 -14.474 1.519 -15.412 1.00 2.83 N ATOM 138 NH2 ARG A 10 -13.798 3.228 -16.783 1.00 3.25 N ATOM 139 HA ARG A 10 -9.752 -0.613 -11.391 1.00 0.00 H ATOM 140 HB2 ARG A 10 -10.846 -1.064 -13.673 1.00 0.00 H ATOM 141 HB3 ARG A 10 -11.927 -0.764 -12.292 1.00 0.00 H ATOM 142 HG2 ARG A 10 -12.922 0.861 -13.429 1.00 0.00 H ATOM 143 HG3 ARG A 10 -11.380 1.743 -13.525 1.00 0.00 H ATOM 144 HD2 ARG A 10 -12.485 -0.292 -15.478 1.00 0.00 H ATOM 145 HD3 ARG A 10 -10.804 0.290 -15.517 1.00 0.00 H ATOM 146 HE ARG A 10 -11.526 2.233 -16.543 1.00 0.00 H ATOM 147 HH12 ARG A 10 -15.452 1.870 -15.462 1.00 0.00 H ATOM 148 HH11 ARG A 10 -14.254 0.672 -14.850 1.00 0.00 H ATOM 149 HH22 ARG A 10 -14.778 3.573 -16.828 1.00 0.00 H ATOM 150 HH21 ARG A 10 -13.047 3.727 -17.301 1.00 0.00 H ATOM 151 H ARG A 10 -11.242 1.837 -11.583 1.00 0.00 H ATOM 152 N GLU A 11 -8.741 1.482 -13.725 1.00 0.38 N ATOM 153 CA GLU A 11 -7.633 1.776 -14.625 1.00 0.40 C ATOM 154 C GLU A 11 -6.377 2.161 -13.849 1.00 0.37 C ATOM 155 O GLU A 11 -5.261 1.861 -14.273 1.00 0.41 O ATOM 156 CB GLU A 11 -8.016 2.903 -15.586 1.00 0.47 C ATOM 157 CG GLU A 11 -7.060 3.054 -16.757 1.00 1.11 C ATOM 158 CD GLU A 11 -6.461 4.445 -16.844 1.00 1.78 C ATOM 159 OE1 GLU A 11 -5.881 4.906 -15.839 1.00 2.44 O ATOM 160 OE2 GLU A 11 -6.574 5.073 -17.917 1.00 2.39 O ATOM 161 HA GLU A 11 -7.418 0.873 -15.196 1.00 0.00 H ATOM 162 HB2 GLU A 11 -9.012 2.698 -15.978 1.00 0.00 H ATOM 163 HB3 GLU A 11 -8.031 3.840 -15.030 1.00 0.00 H ATOM 164 HG2 GLU A 11 -6.252 2.332 -16.644 1.00 0.00 H ATOM 165 HG3 GLU A 11 -7.602 2.849 -17.680 1.00 0.00 H ATOM 166 H GLU A 11 -9.513 2.172 -13.626 1.00 0.00 H ATOM 167 N ILE A 12 -6.563 2.831 -12.717 1.00 0.35 N ATOM 168 CA ILE A 12 -5.438 3.259 -11.895 1.00 0.34 C ATOM 169 C ILE A 12 -4.687 2.063 -11.320 1.00 0.30 C ATOM 170 O ILE A 12 -3.456 2.035 -11.322 1.00 0.37 O ATOM 171 CB ILE A 12 -5.894 4.201 -10.755 1.00 0.33 C ATOM 172 CG1 ILE A 12 -4.940 5.390 -10.638 1.00 0.39 C ATOM 173 CG2 ILE A 12 -5.989 3.463 -9.427 1.00 0.32 C ATOM 174 CD1 ILE A 12 -3.496 4.989 -10.422 1.00 0.81 C ATOM 175 HA ILE A 12 -4.760 3.813 -12.544 1.00 0.00 H ATOM 176 HB ILE A 12 -6.890 4.568 -11.002 1.00 0.00 H ATOM 177 HG12 ILE A 12 -5.002 5.974 -11.556 1.00 0.00 H ATOM 178 HG13 ILE A 12 -5.257 6.005 -9.796 1.00 0.00 H ATOM 179 HD11 ILE A 12 -3.414 4.413 -9.500 1.00 0.00 H ATOM 180 HD12 ILE A 12 -3.159 4.382 -11.262 1.00 0.00 H ATOM 181 HD13 ILE A 12 -2.879 5.884 -10.349 1.00 0.00 H ATOM 182 HG21 ILE A 12 -6.711 2.651 -9.515 1.00 0.00 H ATOM 183 HG22 ILE A 12 -5.012 3.055 -9.169 1.00 0.00 H ATOM 184 HG23 ILE A 12 -6.312 4.156 -8.650 1.00 0.00 H ATOM 185 H ILE A 12 -7.531 3.055 -12.411 1.00 0.00 H ATOM 186 N VAL A 13 -5.429 1.072 -10.839 1.00 0.25 N ATOM 187 CA VAL A 13 -4.822 -0.127 -10.277 1.00 0.24 C ATOM 188 C VAL A 13 -4.255 -1.004 -11.387 1.00 0.24 C ATOM 189 O VAL A 13 -3.232 -1.666 -11.212 1.00 0.26 O ATOM 190 CB VAL A 13 -5.839 -0.944 -9.456 1.00 0.26 C ATOM 191 CG1 VAL A 13 -5.186 -2.193 -8.884 1.00 0.33 C ATOM 192 CG2 VAL A 13 -6.436 -0.091 -8.348 1.00 0.30 C ATOM 193 HA VAL A 13 -4.019 0.195 -9.614 1.00 0.00 H ATOM 194 HB VAL A 13 -6.646 -1.257 -10.119 1.00 0.00 H ATOM 195 HG11 VAL A 13 -4.812 -2.812 -9.700 1.00 0.00 H ATOM 196 HG12 VAL A 13 -4.359 -1.904 -8.236 1.00 0.00 H ATOM 197 HG13 VAL A 13 -5.922 -2.755 -8.308 1.00 0.00 H ATOM 198 HG21 VAL A 13 -5.640 0.252 -7.687 1.00 0.00 H ATOM 199 HG22 VAL A 13 -6.943 0.769 -8.786 1.00 0.00 H ATOM 200 HG23 VAL A 13 -7.152 -0.685 -7.779 1.00 0.00 H ATOM 201 H VAL A 13 -6.465 1.154 -10.864 1.00 0.00 H ATOM 202 N MET A 14 -4.928 -0.998 -12.537 1.00 0.25 N ATOM 203 CA MET A 14 -4.496 -1.786 -13.685 1.00 0.28 C ATOM 204 C MET A 14 -3.116 -1.341 -14.150 1.00 0.30 C ATOM 205 O MET A 14 -2.231 -2.166 -14.379 1.00 0.31 O ATOM 206 CB MET A 14 -5.503 -1.654 -14.829 1.00 0.33 C ATOM 207 CG MET A 14 -5.108 -2.420 -16.079 1.00 0.51 C ATOM 208 SD MET A 14 -4.071 -1.449 -17.190 1.00 1.07 S ATOM 209 CE MET A 14 -4.390 -2.267 -18.752 1.00 0.53 C ATOM 210 HA MET A 14 -4.441 -2.832 -13.383 1.00 0.00 H ATOM 211 HB2 MET A 14 -6.467 -2.029 -14.485 1.00 0.00 H ATOM 212 HB3 MET A 14 -5.596 -0.599 -15.086 1.00 0.00 H ATOM 213 HG2 MET A 14 -6.014 -2.711 -16.611 1.00 0.00 H ATOM 214 HG3 MET A 14 -4.560 -3.314 -15.782 1.00 0.00 H ATOM 215 HE1 MET A 14 -4.093 -3.313 -18.680 1.00 0.00 H ATOM 216 HE2 MET A 14 -5.454 -2.205 -18.982 1.00 0.00 H ATOM 217 HE3 MET A 14 -3.817 -1.778 -19.540 1.00 0.00 H ATOM 218 H MET A 14 -5.785 -0.415 -12.618 1.00 0.00 H ATOM 219 N LYS A 15 -2.934 -0.031 -14.282 1.00 0.33 N ATOM 220 CA LYS A 15 -1.659 0.526 -14.717 1.00 0.38 C ATOM 221 C LYS A 15 -0.577 0.295 -13.667 1.00 0.35 C ATOM 222 O LYS A 15 0.538 -0.111 -13.990 1.00 0.38 O ATOM 223 CB LYS A 15 -1.801 2.023 -14.999 1.00 0.47 C ATOM 224 CG LYS A 15 -2.177 2.337 -16.437 1.00 1.13 C ATOM 225 CD LYS A 15 -0.944 2.542 -17.303 1.00 1.58 C ATOM 226 CE LYS A 15 -0.923 1.582 -18.480 1.00 1.19 C ATOM 227 NZ LYS A 15 0.239 1.828 -19.379 1.00 2.02 N ATOM 228 HA LYS A 15 -1.364 0.017 -15.635 1.00 0.00 H ATOM 229 HB2 LYS A 15 -2.574 2.426 -14.344 1.00 0.00 H ATOM 230 HB3 LYS A 15 -0.850 2.508 -14.777 1.00 0.00 H ATOM 231 HG2 LYS A 15 -2.760 1.509 -16.840 1.00 0.00 H ATOM 232 HG3 LYS A 15 -2.779 3.246 -16.456 1.00 0.00 H ATOM 233 HD2 LYS A 15 -0.942 3.565 -17.680 1.00 0.00 H ATOM 234 HD3 LYS A 15 -0.054 2.378 -16.696 1.00 0.00 H ATOM 235 HE2 LYS A 15 -1.843 1.705 -19.052 1.00 0.00 H ATOM 236 HE3 LYS A 15 -0.866 0.561 -18.101 1.00 0.00 H ATOM 237 HZ1 LYS A 15 0.189 2.798 -19.751 1.00 0.00 H ATOM 238 HZ2 LYS A 15 1.122 1.706 -18.843 1.00 0.00 H ATOM 239 HZ3 LYS A 15 0.214 1.151 -20.168 1.00 0.00 H ATOM 240 H LYS A 15 -3.722 0.614 -14.069 1.00 0.00 H ATOM 241 N TYR A 16 -0.916 0.556 -12.410 1.00 0.31 N ATOM 242 CA TYR A 16 0.027 0.377 -11.312 1.00 0.31 C ATOM 243 C TYR A 16 0.494 -1.072 -11.227 1.00 0.29 C ATOM 244 O TYR A 16 1.692 -1.353 -11.273 1.00 0.32 O ATOM 245 CB TYR A 16 -0.617 0.798 -9.989 1.00 0.31 C ATOM 246 CG TYR A 16 -0.169 -0.029 -8.804 1.00 0.32 C ATOM 247 CD1 TYR A 16 1.129 0.060 -8.320 1.00 1.17 C ATOM 248 CD2 TYR A 16 -1.049 -0.897 -8.169 1.00 1.19 C ATOM 249 CE1 TYR A 16 1.541 -0.693 -7.236 1.00 1.21 C ATOM 250 CE2 TYR A 16 -0.645 -1.652 -7.084 1.00 1.22 C ATOM 251 CZ TYR A 16 0.650 -1.547 -6.623 1.00 0.50 C ATOM 252 OH TYR A 16 1.055 -2.299 -5.543 1.00 0.62 O ATOM 253 HA TYR A 16 0.895 1.007 -11.503 1.00 0.00 H ATOM 254 HB3 TYR A 16 -1.698 0.702 -10.087 1.00 0.00 H ATOM 255 HB2 TYR A 16 -0.361 1.840 -9.798 1.00 0.00 H ATOM 256 HD2 TYR A 16 -2.073 -0.984 -8.532 1.00 0.00 H ATOM 257 HE2 TYR A 16 -1.347 -2.327 -6.595 1.00 0.00 H ATOM 258 HE1 TYR A 16 2.564 -0.612 -6.869 1.00 0.00 H ATOM 259 HD1 TYR A 16 1.836 0.735 -8.803 1.00 0.00 H ATOM 260 HH TYR A 16 0.499 -2.071 -4.756 1.00 0.00 H ATOM 261 H TYR A 16 -1.877 0.896 -12.204 1.00 0.00 H ATOM 262 N ILE A 17 -0.460 -1.988 -11.101 1.00 0.26 N ATOM 263 CA ILE A 17 -0.148 -3.408 -11.009 1.00 0.27 C ATOM 264 C ILE A 17 0.607 -3.887 -12.245 1.00 0.28 C ATOM 265 O ILE A 17 1.502 -4.726 -12.150 1.00 0.30 O ATOM 266 CB ILE A 17 -1.424 -4.255 -10.842 1.00 0.28 C ATOM 267 CG1 ILE A 17 -2.118 -3.918 -9.522 1.00 0.45 C ATOM 268 CG2 ILE A 17 -1.089 -5.737 -10.909 1.00 0.47 C ATOM 269 CD1 ILE A 17 -1.511 -4.618 -8.325 1.00 0.49 C ATOM 270 HA ILE A 17 0.482 -3.536 -10.129 1.00 0.00 H ATOM 271 HB ILE A 17 -2.107 -4.020 -11.659 1.00 0.00 H ATOM 272 HG12 ILE A 17 -2.053 -2.842 -9.362 1.00 0.00 H ATOM 273 HG13 ILE A 17 -3.165 -4.210 -9.598 1.00 0.00 H ATOM 274 HD11 ILE A 17 -1.579 -5.697 -8.464 1.00 0.00 H ATOM 275 HD12 ILE A 17 -0.465 -4.328 -8.228 1.00 0.00 H ATOM 276 HD13 ILE A 17 -2.054 -4.332 -7.424 1.00 0.00 H ATOM 277 HG21 ILE A 17 -0.636 -5.963 -11.875 1.00 0.00 H ATOM 278 HG22 ILE A 17 -0.390 -5.987 -10.111 1.00 0.00 H ATOM 279 HG23 ILE A 17 -2.002 -6.320 -10.789 1.00 0.00 H ATOM 280 H ILE A 17 -1.454 -1.684 -11.067 1.00 0.00 H ATOM 281 N HIS A 18 0.241 -3.351 -13.405 1.00 0.27 N ATOM 282 CA HIS A 18 0.889 -3.728 -14.655 1.00 0.28 C ATOM 283 C HIS A 18 2.401 -3.550 -14.556 1.00 0.31 C ATOM 284 O HIS A 18 3.163 -4.489 -14.783 1.00 0.43 O ATOM 285 CB HIS A 18 0.342 -2.896 -15.817 1.00 0.30 C ATOM 286 CG HIS A 18 -0.496 -3.683 -16.777 1.00 0.34 C ATOM 287 ND1 HIS A 18 0.037 -4.407 -17.822 1.00 0.58 N ATOM 288 CD2 HIS A 18 -1.838 -3.858 -16.848 1.00 0.62 C ATOM 289 CE1 HIS A 18 -0.939 -4.990 -18.495 1.00 0.52 C ATOM 290 NE2 HIS A 18 -2.086 -4.673 -17.924 1.00 0.51 N ATOM 291 HA HIS A 18 0.673 -4.780 -14.842 1.00 0.00 H ATOM 292 HB2 HIS A 18 -0.268 -2.091 -15.407 1.00 0.00 H ATOM 293 HB3 HIS A 18 1.184 -2.471 -16.363 1.00 0.00 H ATOM 294 HD2 HIS A 18 -2.582 -3.431 -16.176 1.00 0.00 H ATOM 295 HE1 HIS A 18 -0.818 -5.625 -19.373 1.00 0.00 H ATOM 296 H HIS A 18 -0.525 -2.647 -13.421 1.00 0.00 H ATOM 297 N TYR A 19 2.830 -2.339 -14.212 1.00 0.33 N ATOM 298 CA TYR A 19 4.252 -2.039 -14.082 1.00 0.39 C ATOM 299 C TYR A 19 4.915 -2.981 -13.083 1.00 0.37 C ATOM 300 O TYR A 19 6.059 -3.394 -13.271 1.00 0.48 O ATOM 301 CB TYR A 19 4.452 -0.588 -13.645 1.00 0.46 C ATOM 302 CG TYR A 19 5.538 0.131 -14.413 1.00 0.42 C ATOM 303 CD1 TYR A 19 6.750 -0.489 -14.683 1.00 0.47 C ATOM 304 CD2 TYR A 19 5.350 1.430 -14.868 1.00 0.41 C ATOM 305 CE1 TYR A 19 7.746 0.165 -15.384 1.00 0.47 C ATOM 306 CE2 TYR A 19 6.340 2.091 -15.570 1.00 0.43 C ATOM 307 CZ TYR A 19 7.536 1.454 -15.826 1.00 0.44 C ATOM 308 OH TYR A 19 8.524 2.108 -16.525 1.00 0.48 O ATOM 309 HA TYR A 19 4.720 -2.183 -15.056 1.00 0.00 H ATOM 310 HB3 TYR A 19 4.714 -0.579 -12.587 1.00 0.00 H ATOM 311 HB2 TYR A 19 3.514 -0.052 -13.790 1.00 0.00 H ATOM 312 HD2 TYR A 19 4.406 1.936 -14.668 1.00 0.00 H ATOM 313 HE2 TYR A 19 6.176 3.110 -15.919 1.00 0.00 H ATOM 314 HE1 TYR A 19 8.693 -0.336 -15.586 1.00 0.00 H ATOM 315 HD1 TYR A 19 6.919 -1.509 -14.337 1.00 0.00 H ATOM 316 HH TYR A 19 9.309 1.512 -16.620 1.00 0.00 H ATOM 317 H TYR A 19 2.135 -1.587 -14.031 1.00 0.00 H ATOM 318 N LYS A 20 4.190 -3.316 -12.022 1.00 0.30 N ATOM 319 CA LYS A 20 4.713 -4.211 -10.996 1.00 0.33 C ATOM 320 C LYS A 20 5.051 -5.574 -11.590 1.00 0.36 C ATOM 321 O LYS A 20 6.067 -6.178 -11.244 1.00 0.50 O ATOM 322 CB LYS A 20 3.700 -4.371 -9.860 1.00 0.37 C ATOM 323 CG LYS A 20 4.037 -5.501 -8.902 1.00 0.77 C ATOM 324 CD LYS A 20 5.474 -5.410 -8.414 1.00 0.95 C ATOM 325 CE LYS A 20 5.577 -5.694 -6.925 1.00 1.34 C ATOM 326 NZ LYS A 20 5.975 -7.102 -6.653 1.00 1.84 N ATOM 327 HA LYS A 20 5.626 -3.771 -10.595 1.00 0.00 H ATOM 328 HB2 LYS A 20 3.664 -3.439 -9.296 1.00 0.00 H ATOM 329 HB3 LYS A 20 2.721 -4.568 -10.296 1.00 0.00 H ATOM 330 HG2 LYS A 20 3.367 -5.449 -8.043 1.00 0.00 H ATOM 331 HG3 LYS A 20 3.896 -6.453 -9.414 1.00 0.00 H ATOM 332 HD2 LYS A 20 6.079 -6.137 -8.956 1.00 0.00 H ATOM 333 HD3 LYS A 20 5.852 -4.407 -8.610 1.00 0.00 H ATOM 334 HE2 LYS A 20 4.608 -5.506 -6.463 1.00 0.00 H ATOM 335 HE3 LYS A 20 6.321 -5.027 -6.490 1.00 0.00 H ATOM 336 HZ1 LYS A 20 5.266 -7.746 -7.059 1.00 0.00 H ATOM 337 HZ2 LYS A 20 6.902 -7.288 -7.085 1.00 0.00 H ATOM 338 HZ3 LYS A 20 6.033 -7.252 -5.626 1.00 0.00 H ATOM 339 H LYS A 20 3.229 -2.932 -11.921 1.00 0.00 H ATOM 340 N LEU A 21 4.195 -6.051 -12.487 1.00 0.34 N ATOM 341 CA LEU A 21 4.404 -7.342 -13.132 1.00 0.37 C ATOM 342 C LEU A 21 5.464 -7.239 -14.223 1.00 0.40 C ATOM 343 O LEU A 21 6.337 -8.101 -14.337 1.00 0.43 O ATOM 344 CB LEU A 21 3.091 -7.856 -13.727 1.00 0.40 C ATOM 345 CG LEU A 21 2.297 -8.800 -12.824 1.00 0.37 C ATOM 346 CD1 LEU A 21 1.073 -8.093 -12.259 1.00 0.56 C ATOM 347 CD2 LEU A 21 1.887 -10.049 -13.589 1.00 0.71 C ATOM 348 HA LEU A 21 4.753 -8.046 -12.377 1.00 0.00 H ATOM 349 HB2 LEU A 21 2.462 -6.995 -13.953 1.00 0.00 H ATOM 350 HB3 LEU A 21 3.323 -8.387 -14.650 1.00 0.00 H ATOM 351 HG LEU A 21 2.935 -9.100 -11.993 1.00 0.00 H ATOM 352 HD21 LEU A 21 1.266 -9.766 -14.439 1.00 0.00 H ATOM 353 HD22 LEU A 21 2.779 -10.565 -13.945 1.00 0.00 H ATOM 354 HD23 LEU A 21 1.323 -10.709 -12.930 1.00 0.00 H ATOM 355 HD11 LEU A 21 1.391 -7.229 -11.676 1.00 0.00 H ATOM 356 HD12 LEU A 21 0.434 -7.765 -13.079 1.00 0.00 H ATOM 357 HD13 LEU A 21 0.521 -8.781 -11.619 1.00 0.00 H ATOM 358 H LEU A 21 3.355 -5.490 -12.735 1.00 0.00 H ATOM 359 N SER A 22 5.383 -6.182 -15.024 1.00 0.41 N ATOM 360 CA SER A 22 6.337 -5.967 -16.106 1.00 0.45 C ATOM 361 C SER A 22 7.770 -6.029 -15.585 1.00 0.49 C ATOM 362 O SER A 22 8.684 -6.440 -16.301 1.00 0.53 O ATOM 363 CB SER A 22 6.084 -4.617 -16.778 1.00 0.52 C ATOM 364 OG SER A 22 5.486 -4.785 -18.051 1.00 1.44 O ATOM 365 HA SER A 22 6.201 -6.760 -16.841 1.00 0.00 H ATOM 366 HB2 SER A 22 7.033 -4.095 -16.896 1.00 0.00 H ATOM 367 HB3 SER A 22 5.421 -4.024 -16.148 1.00 0.00 H ATOM 368 HG SER A 22 5.334 -3.898 -18.462 1.00 0.00 H ATOM 369 H SER A 22 4.620 -5.491 -14.876 1.00 0.00 H ATOM 370 N GLN A 23 7.959 -5.620 -14.335 1.00 0.50 N ATOM 371 CA GLN A 23 9.280 -5.631 -13.718 1.00 0.57 C ATOM 372 C GLN A 23 9.936 -7.000 -13.866 1.00 0.60 C ATOM 373 O GLN A 23 11.152 -7.105 -14.022 1.00 0.70 O ATOM 374 CB GLN A 23 9.179 -5.259 -12.237 1.00 0.58 C ATOM 375 CG GLN A 23 10.426 -5.601 -11.438 1.00 0.56 C ATOM 376 CD GLN A 23 10.549 -4.779 -10.171 1.00 1.36 C ATOM 377 OE1 GLN A 23 10.539 -3.549 -10.211 1.00 2.21 O ATOM 378 NE2 GLN A 23 10.667 -5.456 -9.035 1.00 2.08 N ATOM 379 HA GLN A 23 9.898 -4.893 -14.229 1.00 0.00 H ATOM 380 HB2 GLN A 23 9.005 -4.186 -12.162 1.00 0.00 H ATOM 381 HB3 GLN A 23 8.334 -5.794 -11.804 1.00 0.00 H ATOM 382 HG2 GLN A 23 10.389 -6.656 -11.168 1.00 0.00 H ATOM 383 HG3 GLN A 23 11.302 -5.417 -12.061 1.00 0.00 H ATOM 384 HE22 GLN A 23 10.671 -6.496 -9.047 1.00 0.00 H ATOM 385 HE21 GLN A 23 10.756 -4.946 -8.133 1.00 0.00 H ATOM 386 H GLN A 23 7.144 -5.284 -13.783 1.00 0.00 H ATOM 387 N ARG A 24 9.119 -8.047 -13.819 1.00 0.58 N ATOM 388 CA ARG A 24 9.614 -9.412 -13.949 1.00 0.66 C ATOM 389 C ARG A 24 9.535 -9.894 -15.396 1.00 0.65 C ATOM 390 O ARG A 24 10.266 -10.799 -15.798 1.00 0.73 O ATOM 391 CB ARG A 24 8.818 -10.352 -13.043 1.00 0.70 C ATOM 392 CG ARG A 24 9.328 -11.784 -13.055 1.00 0.97 C ATOM 393 CD ARG A 24 10.772 -11.866 -12.588 1.00 0.70 C ATOM 394 NE ARG A 24 11.084 -13.165 -11.996 1.00 1.22 N ATOM 395 CZ ARG A 24 11.201 -14.292 -12.695 1.00 1.89 C ATOM 396 NH1 ARG A 24 11.031 -14.290 -14.013 1.00 2.58 N ATOM 397 NH2 ARG A 24 11.486 -15.428 -12.074 1.00 2.43 N ATOM 398 HA ARG A 24 10.660 -9.419 -13.644 1.00 0.00 H ATOM 399 HB2 ARG A 24 8.872 -9.975 -12.022 1.00 0.00 H ATOM 400 HB3 ARG A 24 7.779 -10.353 -13.374 1.00 0.00 H ATOM 401 HG2 ARG A 24 8.707 -12.387 -12.393 1.00 0.00 H ATOM 402 HG3 ARG A 24 9.261 -12.175 -14.070 1.00 0.00 H ATOM 403 HD2 ARG A 24 10.946 -11.089 -11.844 1.00 0.00 H ATOM 404 HD3 ARG A 24 11.428 -11.702 -13.443 1.00 0.00 H ATOM 405 HE ARG A 24 11.223 -13.212 -10.966 1.00 0.00 H ATOM 406 HH12 ARG A 24 11.124 -15.175 -14.551 1.00 0.00 H ATOM 407 HH11 ARG A 24 10.805 -13.403 -14.507 1.00 0.00 H ATOM 408 HH22 ARG A 24 11.578 -16.309 -12.618 1.00 0.00 H ATOM 409 HH21 ARG A 24 11.618 -15.438 -11.042 1.00 0.00 H ATOM 410 H ARG A 24 8.100 -7.888 -13.686 1.00 0.00 H ATOM 411 N GLY A 25 8.638 -9.294 -16.175 1.00 0.59 N ATOM 412 CA GLY A 25 8.480 -9.686 -17.562 1.00 0.60 C ATOM 413 C GLY A 25 7.320 -10.646 -17.766 1.00 0.62 C ATOM 414 O GLY A 25 7.256 -11.342 -18.779 1.00 0.99 O ATOM 415 HA3 GLY A 25 9.398 -10.170 -17.896 1.00 0.00 H ATOM 416 HA2 GLY A 25 8.304 -8.792 -18.160 1.00 0.00 H ATOM 417 H GLY A 25 8.044 -8.535 -15.784 1.00 0.00 H ATOM 418 N TYR A 26 6.398 -10.685 -16.804 1.00 0.60 N ATOM 419 CA TYR A 26 5.240 -11.566 -16.889 1.00 0.61 C ATOM 420 C TYR A 26 4.087 -10.874 -17.606 1.00 0.63 C ATOM 421 O TYR A 26 3.352 -10.089 -17.008 1.00 0.99 O ATOM 422 CB TYR A 26 4.800 -12.001 -15.490 1.00 0.80 C ATOM 423 CG TYR A 26 5.646 -13.109 -14.902 1.00 0.55 C ATOM 424 CD1 TYR A 26 6.927 -13.359 -15.378 1.00 1.20 C ATOM 425 CD2 TYR A 26 5.162 -13.904 -13.871 1.00 1.35 C ATOM 426 CE1 TYR A 26 7.702 -14.370 -14.842 1.00 1.18 C ATOM 427 CE2 TYR A 26 5.931 -14.916 -13.329 1.00 1.49 C ATOM 428 CZ TYR A 26 7.200 -15.145 -13.819 1.00 0.78 C ATOM 429 OH TYR A 26 7.969 -16.153 -13.282 1.00 1.10 O ATOM 430 HA TYR A 26 5.525 -12.449 -17.462 1.00 0.00 H ATOM 431 HB3 TYR A 26 3.768 -12.349 -15.546 1.00 0.00 H ATOM 432 HB2 TYR A 26 4.855 -11.137 -14.828 1.00 0.00 H ATOM 433 HD2 TYR A 26 4.159 -13.727 -13.483 1.00 0.00 H ATOM 434 HE2 TYR A 26 5.537 -15.530 -12.519 1.00 0.00 H ATOM 435 HE1 TYR A 26 8.705 -14.553 -15.226 1.00 0.00 H ATOM 436 HD1 TYR A 26 7.327 -12.748 -16.187 1.00 0.00 H ATOM 437 HH TYR A 26 8.844 -16.181 -13.744 1.00 0.00 H ATOM 438 H TYR A 26 6.508 -10.071 -15.972 1.00 0.00 H ATOM 439 N GLU A 27 3.939 -11.168 -18.893 1.00 0.63 N ATOM 440 CA GLU A 27 2.878 -10.572 -19.695 1.00 0.63 C ATOM 441 C GLU A 27 1.512 -10.810 -19.062 1.00 0.58 C ATOM 442 O GLU A 27 0.862 -11.824 -19.327 1.00 0.69 O ATOM 443 CB GLU A 27 2.903 -11.144 -21.113 1.00 0.79 C ATOM 444 CG GLU A 27 3.970 -10.526 -22.001 1.00 1.20 C ATOM 445 CD GLU A 27 4.290 -11.382 -23.210 1.00 1.85 C ATOM 446 OE1 GLU A 27 3.426 -12.188 -23.613 1.00 2.32 O ATOM 447 OE2 GLU A 27 5.407 -11.247 -23.754 1.00 2.58 O ATOM 448 HA GLU A 27 3.052 -9.497 -19.739 1.00 0.00 H ATOM 449 HB2 GLU A 27 3.087 -12.216 -21.049 1.00 0.00 H ATOM 450 HB3 GLU A 27 1.930 -10.970 -21.572 1.00 0.00 H ATOM 451 HG2 GLU A 27 3.618 -9.553 -22.345 1.00 0.00 H ATOM 452 HG3 GLU A 27 4.880 -10.395 -21.415 1.00 0.00 H ATOM 453 H GLU A 27 4.596 -11.840 -19.339 1.00 0.00 H ATOM 454 N TRP A 28 1.076 -9.870 -18.230 1.00 0.48 N ATOM 455 CA TRP A 28 -0.217 -9.978 -17.567 1.00 0.47 C ATOM 456 C TRP A 28 -1.350 -9.760 -18.565 1.00 0.56 C ATOM 457 O TRP A 28 -1.403 -8.735 -19.245 1.00 0.85 O ATOM 458 CB TRP A 28 -0.318 -8.962 -16.427 1.00 0.42 C ATOM 459 CG TRP A 28 -1.713 -8.782 -15.906 1.00 0.36 C ATOM 460 CD1 TRP A 28 -2.721 -9.702 -15.920 1.00 0.36 C ATOM 461 CD2 TRP A 28 -2.253 -7.605 -15.294 1.00 0.36 C ATOM 462 NE1 TRP A 28 -3.855 -9.167 -15.359 1.00 0.36 N ATOM 463 CE2 TRP A 28 -3.592 -7.883 -14.964 1.00 0.36 C ATOM 464 CE3 TRP A 28 -1.733 -6.345 -14.993 1.00 0.42 C ATOM 465 CZ2 TRP A 28 -4.418 -6.945 -14.349 1.00 0.41 C ATOM 466 CZ3 TRP A 28 -2.552 -5.414 -14.381 1.00 0.47 C ATOM 467 CH2 TRP A 28 -3.882 -5.719 -14.064 1.00 0.46 C ATOM 468 HA TRP A 28 -0.307 -10.982 -17.152 1.00 0.00 H ATOM 469 HB2 TRP A 28 0.316 -9.299 -15.607 1.00 0.00 H ATOM 470 HB3 TRP A 28 0.042 -7.999 -16.790 1.00 0.00 H ATOM 471 HE1 TRP A 28 -4.766 -9.658 -15.252 1.00 0.00 H ATOM 472 HD1 TRP A 28 -2.638 -10.713 -16.318 1.00 0.00 H ATOM 473 HZ2 TRP A 28 -5.454 -7.179 -14.104 1.00 0.00 H ATOM 474 HH2 TRP A 28 -4.502 -4.964 -13.581 1.00 0.00 H ATOM 475 HZ3 TRP A 28 -2.156 -4.427 -14.141 1.00 0.00 H ATOM 476 HE3 TRP A 28 -0.699 -6.099 -15.236 1.00 0.00 H ATOM 477 H TRP A 28 1.672 -9.037 -18.048 1.00 0.00 H ATOM 478 N ASP A 29 -2.254 -10.731 -18.648 1.00 0.86 N ATOM 479 CA ASP A 29 -3.385 -10.646 -19.563 1.00 1.00 C ATOM 480 C ASP A 29 -4.522 -9.834 -18.952 1.00 0.97 C ATOM 481 O ASP A 29 -5.637 -10.333 -18.790 1.00 1.29 O ATOM 482 CB ASP A 29 -3.880 -12.047 -19.925 1.00 1.26 C ATOM 483 CG ASP A 29 -3.055 -12.686 -21.026 1.00 2.13 C ATOM 484 OD1 ASP A 29 -3.051 -12.148 -22.153 1.00 2.71 O ATOM 485 OD2 ASP A 29 -2.414 -13.724 -20.761 1.00 2.82 O ATOM 486 HA ASP A 29 -3.050 -10.141 -20.469 1.00 0.00 H ATOM 487 HB2 ASP A 29 -3.827 -12.677 -19.037 1.00 0.00 H ATOM 488 HB3 ASP A 29 -4.915 -11.977 -20.259 1.00 0.00 H ATOM 489 H ASP A 29 -2.152 -11.572 -18.045 1.00 0.00 H ATOM 490 N ALA A 30 -4.236 -8.581 -18.618 1.00 0.95 N ATOM 491 CA ALA A 30 -5.237 -7.700 -18.028 1.00 0.99 C ATOM 492 C ALA A 30 -6.304 -7.326 -19.050 1.00 1.18 C ATOM 493 O ALA A 30 -7.496 -7.527 -18.821 1.00 1.46 O ATOM 494 CB ALA A 30 -4.575 -6.447 -17.473 1.00 1.05 C ATOM 495 HA ALA A 30 -5.722 -8.234 -17.211 1.00 0.00 H ATOM 496 HB1 ALA A 30 -3.852 -6.728 -16.708 1.00 0.00 H ATOM 497 HB2 ALA A 30 -4.066 -5.919 -18.279 1.00 0.00 H ATOM 498 HB3 ALA A 30 -5.335 -5.799 -17.036 1.00 0.00 H ATOM 499 H ALA A 30 -3.275 -8.219 -18.781 1.00 0.00 H ATOM 500 N GLY A 31 -5.865 -6.779 -20.179 1.00 1.41 N ATOM 501 CA GLY A 31 -6.792 -6.383 -21.222 1.00 1.62 C ATOM 502 C GLY A 31 -7.119 -7.520 -22.171 1.00 2.53 C ATOM 503 O GLY A 31 -6.717 -7.501 -23.335 1.00 3.27 O ATOM 504 HA3 GLY A 31 -6.348 -5.567 -21.793 1.00 0.00 H ATOM 505 HA2 GLY A 31 -7.716 -6.039 -20.757 1.00 0.00 H ATOM 506 H GLY A 31 -4.844 -6.633 -20.316 1.00 0.00 H ATOM 507 N ASP A 32 -7.851 -8.511 -21.674 1.00 3.10 N ATOM 508 CA ASP A 32 -8.232 -9.662 -22.485 1.00 4.25 C ATOM 509 C ASP A 32 -8.837 -9.217 -23.812 1.00 4.56 C ATOM 510 O ASP A 32 -8.714 -9.909 -24.824 1.00 5.25 O ATOM 511 CB ASP A 32 -9.229 -10.539 -21.726 1.00 5.08 C ATOM 512 CG ASP A 32 -10.657 -10.324 -22.188 1.00 5.80 C ATOM 513 OD1 ASP A 32 -11.170 -9.198 -22.024 1.00 6.39 O ATOM 514 OD2 ASP A 32 -11.262 -11.282 -22.714 1.00 6.10 O ATOM 515 HA ASP A 32 -7.333 -10.242 -22.693 1.00 0.00 H ATOM 516 HB2 ASP A 32 -8.964 -11.585 -21.881 1.00 0.00 H ATOM 517 HB3 ASP A 32 -9.165 -10.303 -20.664 1.00 0.00 H ATOM 518 H ASP A 32 -8.160 -8.465 -20.682 1.00 0.00 H ATOM 519 N ASP A 33 -9.491 -8.061 -23.803 1.00 4.40 N ATOM 520 CA ASP A 33 -10.116 -7.528 -25.007 1.00 4.91 C ATOM 521 C ASP A 33 -9.087 -6.838 -25.897 1.00 4.64 C ATOM 522 O ASP A 33 -9.064 -5.611 -26.000 1.00 4.81 O ATOM 523 CB ASP A 33 -11.227 -6.544 -24.637 1.00 5.75 C ATOM 524 CG ASP A 33 -12.337 -6.510 -25.669 1.00 6.68 C ATOM 525 OD1 ASP A 33 -12.610 -7.565 -26.282 1.00 7.08 O ATOM 526 OD2 ASP A 33 -12.934 -5.431 -25.864 1.00 7.25 O ATOM 527 HA ASP A 33 -10.547 -8.362 -25.561 1.00 0.00 H ATOM 528 HB2 ASP A 33 -11.650 -6.839 -23.677 1.00 0.00 H ATOM 529 HB3 ASP A 33 -10.797 -5.546 -24.552 1.00 0.00 H ATOM 530 H ASP A 33 -9.559 -7.523 -22.915 1.00 0.00 H ATOM 531 N VAL A 34 -8.240 -7.634 -26.543 1.00 4.72 N ATOM 532 CA VAL A 34 -7.212 -7.099 -27.428 1.00 4.94 C ATOM 533 C VAL A 34 -7.758 -6.896 -28.838 1.00 5.18 C ATOM 534 O VAL A 34 -7.232 -7.448 -29.803 1.00 5.68 O ATOM 535 CB VAL A 34 -5.986 -8.028 -27.493 1.00 5.44 C ATOM 536 CG1 VAL A 34 -5.341 -8.156 -26.121 1.00 5.96 C ATOM 537 CG2 VAL A 34 -6.379 -9.393 -28.034 1.00 6.12 C ATOM 538 HA VAL A 34 -6.906 -6.138 -27.015 1.00 0.00 H ATOM 539 HB VAL A 34 -5.256 -7.590 -28.173 1.00 0.00 H ATOM 540 HG11 VAL A 34 -5.022 -7.172 -25.777 1.00 0.00 H ATOM 541 HG12 VAL A 34 -6.064 -8.571 -25.418 1.00 0.00 H ATOM 542 HG13 VAL A 34 -4.476 -8.816 -26.188 1.00 0.00 H ATOM 543 HG21 VAL A 34 -7.128 -9.840 -27.380 1.00 0.00 H ATOM 544 HG22 VAL A 34 -6.791 -9.280 -29.037 1.00 0.00 H ATOM 545 HG23 VAL A 34 -5.499 -10.035 -28.072 1.00 0.00 H ATOM 546 H VAL A 34 -8.313 -8.663 -26.414 1.00 0.00 H ATOM 547 N GLU A 35 -8.819 -6.101 -28.947 1.00 5.23 N ATOM 548 CA GLU A 35 -9.439 -5.827 -30.239 1.00 5.82 C ATOM 549 C GLU A 35 -9.206 -4.378 -30.665 1.00 6.05 C ATOM 550 O GLU A 35 -10.058 -3.768 -31.312 1.00 6.18 O ATOM 551 CB GLU A 35 -10.940 -6.117 -30.179 1.00 6.18 C ATOM 552 CG GLU A 35 -11.641 -5.451 -29.006 1.00 6.33 C ATOM 553 CD GLU A 35 -13.091 -5.123 -29.304 1.00 7.24 C ATOM 554 OE1 GLU A 35 -13.421 -4.913 -30.489 1.00 7.91 O ATOM 555 OE2 GLU A 35 -13.897 -5.079 -28.350 1.00 7.50 O ATOM 556 HA GLU A 35 -8.977 -6.481 -30.979 1.00 0.00 H ATOM 557 HB2 GLU A 35 -11.397 -5.761 -31.102 1.00 0.00 H ATOM 558 HB3 GLU A 35 -11.080 -7.195 -30.098 1.00 0.00 H ATOM 559 HG2 GLU A 35 -11.604 -6.123 -28.149 1.00 0.00 H ATOM 560 HG3 GLU A 35 -11.116 -4.527 -28.764 1.00 0.00 H ATOM 561 H GLU A 35 -9.216 -5.664 -28.091 1.00 0.00 H ATOM 562 N GLU A 36 -8.048 -3.832 -30.300 1.00 6.42 N ATOM 563 CA GLU A 36 -7.702 -2.454 -30.646 1.00 6.91 C ATOM 564 C GLU A 36 -8.857 -1.507 -30.334 1.00 6.83 C ATOM 565 O GLU A 36 -9.655 -1.176 -31.211 1.00 7.12 O ATOM 566 CB GLU A 36 -7.333 -2.356 -32.128 1.00 7.68 C ATOM 567 CG GLU A 36 -5.957 -2.917 -32.449 1.00 8.06 C ATOM 568 CD GLU A 36 -5.988 -4.404 -32.743 1.00 8.78 C ATOM 569 OE1 GLU A 36 -6.769 -4.818 -33.626 1.00 9.10 O ATOM 570 OE2 GLU A 36 -5.233 -5.154 -32.090 1.00 9.26 O ATOM 571 HA GLU A 36 -6.843 -2.160 -30.044 1.00 0.00 H ATOM 572 HB2 GLU A 36 -8.074 -2.908 -32.706 1.00 0.00 H ATOM 573 HB3 GLU A 36 -7.355 -1.306 -32.421 1.00 0.00 H ATOM 574 HG2 GLU A 36 -5.562 -2.396 -33.322 1.00 0.00 H ATOM 575 HG3 GLU A 36 -5.301 -2.743 -31.596 1.00 0.00 H ATOM 576 H GLU A 36 -7.371 -4.401 -29.754 1.00 0.00 H ATOM 577 N ASN A 37 -8.938 -1.074 -29.080 1.00 6.73 N ATOM 578 CA ASN A 37 -9.995 -0.165 -28.652 1.00 6.89 C ATOM 579 C ASN A 37 -9.475 1.266 -28.553 1.00 6.79 C ATOM 580 O ASN A 37 -8.976 1.685 -27.510 1.00 7.10 O ATOM 581 CB ASN A 37 -10.560 -0.608 -27.301 1.00 7.50 C ATOM 582 CG ASN A 37 -12.039 -0.306 -27.165 1.00 7.98 C ATOM 583 OD1 ASN A 37 -12.450 0.855 -27.157 1.00 8.08 O ATOM 584 ND2 ASN A 37 -12.848 -1.353 -27.057 1.00 8.58 N ATOM 585 HA ASN A 37 -10.789 -0.194 -29.398 1.00 0.00 H ATOM 586 HB2 ASN A 37 -10.411 -1.682 -27.194 1.00 0.00 H ATOM 587 HB3 ASN A 37 -10.022 -0.087 -26.509 1.00 0.00 H ATOM 588 HD22 ASN A 37 -12.456 -2.316 -27.069 1.00 0.00 H ATOM 589 HD21 ASN A 37 -13.874 -1.210 -26.961 1.00 0.00 H ATOM 590 H ASN A 37 -8.230 -1.391 -28.387 1.00 0.00 H ATOM 591 N ARG A 38 -9.598 2.011 -29.646 1.00 6.66 N ATOM 592 CA ARG A 38 -9.141 3.396 -29.681 1.00 6.87 C ATOM 593 C ARG A 38 -10.325 4.358 -29.693 1.00 6.86 C ATOM 594 O ARG A 38 -10.467 5.173 -30.605 1.00 7.36 O ATOM 595 CB ARG A 38 -8.256 3.638 -30.906 1.00 6.93 C ATOM 596 CG ARG A 38 -8.955 3.364 -32.230 1.00 7.23 C ATOM 597 CD ARG A 38 -8.068 2.577 -33.182 1.00 7.49 C ATOM 598 NE ARG A 38 -7.559 3.410 -34.269 1.00 7.97 N ATOM 599 CZ ARG A 38 -8.319 3.895 -35.251 1.00 8.38 C ATOM 600 NH1 ARG A 38 -9.621 3.634 -35.288 1.00 8.41 N ATOM 601 NH2 ARG A 38 -7.774 4.645 -36.199 1.00 9.03 N ATOM 602 HA ARG A 38 -8.554 3.580 -28.781 1.00 0.00 H ATOM 603 HB2 ARG A 38 -7.932 4.679 -30.897 1.00 0.00 H ATOM 604 HB3 ARG A 38 -7.385 2.987 -30.835 1.00 0.00 H ATOM 605 HG2 ARG A 38 -9.863 2.792 -32.039 1.00 0.00 H ATOM 606 HG3 ARG A 38 -9.217 4.314 -32.695 1.00 0.00 H ATOM 607 HD2 ARG A 38 -8.647 1.758 -33.608 1.00 0.00 H ATOM 608 HD3 ARG A 38 -7.224 2.172 -32.624 1.00 0.00 H ATOM 609 HE ARG A 38 -6.544 3.638 -34.277 1.00 0.00 H ATOM 610 HH12 ARG A 38 -10.206 4.017 -36.058 1.00 0.00 H ATOM 611 HH11 ARG A 38 -10.055 3.047 -34.547 1.00 0.00 H ATOM 612 HH22 ARG A 38 -8.365 5.024 -36.966 1.00 0.00 H ATOM 613 HH21 ARG A 38 -6.755 4.854 -36.176 1.00 0.00 H ATOM 614 H ARG A 38 -10.030 1.597 -30.497 1.00 0.00 H ATOM 615 N THR A 39 -11.173 4.256 -28.673 1.00 6.54 N ATOM 616 CA THR A 39 -12.346 5.116 -28.563 1.00 6.69 C ATOM 617 C THR A 39 -11.964 6.582 -28.734 1.00 6.62 C ATOM 618 O THR A 39 -12.164 7.166 -29.799 1.00 6.68 O ATOM 619 CB THR A 39 -13.029 4.909 -27.211 1.00 6.74 C ATOM 620 OG1 THR A 39 -13.690 3.657 -27.169 1.00 6.84 O ATOM 621 CG2 THR A 39 -14.049 5.978 -26.885 1.00 7.14 C ATOM 622 HA THR A 39 -13.040 4.846 -29.359 1.00 0.00 H ATOM 623 HB THR A 39 -12.228 4.958 -26.473 1.00 0.00 H ATOM 624 HG1 THR A 39 -13.030 2.932 -27.309 1.00 0.00 H ATOM 625 HG23 THR A 39 -13.569 6.956 -26.910 1.00 0.00 H ATOM 626 HG21 THR A 39 -14.853 5.948 -27.621 1.00 0.00 H ATOM 627 HG22 THR A 39 -14.458 5.797 -25.891 1.00 0.00 H ATOM 628 H THR A 39 -10.995 3.545 -27.935 1.00 0.00 H ATOM 629 N GLU A 40 -11.416 7.173 -27.677 1.00 6.80 N ATOM 630 CA GLU A 40 -11.007 8.572 -27.711 1.00 6.99 C ATOM 631 C GLU A 40 -9.487 8.697 -27.682 1.00 6.54 C ATOM 632 O GLU A 40 -8.943 9.657 -27.136 1.00 6.77 O ATOM 633 CB GLU A 40 -11.615 9.332 -26.530 1.00 7.43 C ATOM 634 CG GLU A 40 -13.132 9.408 -26.574 1.00 7.92 C ATOM 635 CD GLU A 40 -13.753 9.445 -25.190 1.00 8.54 C ATOM 636 OE1 GLU A 40 -13.137 8.903 -24.248 1.00 9.10 O ATOM 637 OE2 GLU A 40 -14.854 10.018 -25.049 1.00 8.71 O ATOM 638 HA GLU A 40 -11.371 9.007 -28.641 1.00 0.00 H ATOM 639 HB2 GLU A 40 -11.321 8.830 -25.608 1.00 0.00 H ATOM 640 HB3 GLU A 40 -11.218 10.347 -26.532 1.00 0.00 H ATOM 641 HG2 GLU A 40 -13.421 10.311 -27.111 1.00 0.00 H ATOM 642 HG3 GLU A 40 -13.511 8.534 -27.104 1.00 0.00 H ATOM 643 H GLU A 40 -11.276 6.624 -26.805 1.00 0.00 H ATOM 644 N ALA A 41 -8.807 7.720 -28.274 1.00 6.13 N ATOM 645 CA ALA A 41 -7.351 7.721 -28.317 1.00 5.94 C ATOM 646 C ALA A 41 -6.760 7.503 -26.928 1.00 5.40 C ATOM 647 O ALA A 41 -7.363 7.871 -25.920 1.00 5.44 O ATOM 648 CB ALA A 41 -6.841 9.026 -28.911 1.00 6.51 C ATOM 649 HA ALA A 41 -7.031 6.896 -28.953 1.00 0.00 H ATOM 650 HB1 ALA A 41 -7.228 9.138 -29.924 1.00 0.00 H ATOM 651 HB2 ALA A 41 -7.180 9.860 -28.297 1.00 0.00 H ATOM 652 HB3 ALA A 41 -5.751 9.011 -28.936 1.00 0.00 H ATOM 653 H ALA A 41 -9.327 6.936 -28.717 1.00 0.00 H ATOM 654 N PRO A 42 -5.563 6.900 -26.860 1.00 5.27 N ATOM 655 CA PRO A 42 -4.882 6.631 -25.590 1.00 5.11 C ATOM 656 C PRO A 42 -4.354 7.903 -24.932 1.00 4.87 C ATOM 657 O PRO A 42 -4.183 7.957 -23.715 1.00 5.35 O ATOM 658 CB PRO A 42 -3.724 5.719 -25.996 1.00 5.53 C ATOM 659 CG PRO A 42 -3.451 6.065 -27.418 1.00 5.93 C ATOM 660 CD PRO A 42 -4.780 6.434 -28.019 1.00 5.75 C ATOM 661 HA PRO A 42 -5.553 6.189 -24.854 1.00 0.00 H ATOM 662 HD3 PRO A 42 -4.667 7.227 -28.758 1.00 0.00 H ATOM 663 HD2 PRO A 42 -5.251 5.569 -28.486 1.00 0.00 H ATOM 664 HG3 PRO A 42 -3.023 5.209 -27.941 1.00 0.00 H ATOM 665 HG2 PRO A 42 -2.762 6.907 -27.477 1.00 0.00 H ATOM 666 HB2 PRO A 42 -2.847 5.912 -25.378 1.00 0.00 H ATOM 667 HB3 PRO A 42 -4.009 4.671 -25.903 1.00 0.00 H ATOM 668 N GLU A 43 -4.095 8.923 -25.746 1.00 4.48 N ATOM 669 CA GLU A 43 -3.584 10.193 -25.242 1.00 4.55 C ATOM 670 C GLU A 43 -4.393 10.671 -24.042 1.00 4.19 C ATOM 671 O GLU A 43 -5.585 10.958 -24.157 1.00 4.69 O ATOM 672 CB GLU A 43 -3.616 11.251 -26.346 1.00 5.41 C ATOM 673 CG GLU A 43 -3.014 12.584 -25.929 1.00 6.13 C ATOM 674 CD GLU A 43 -3.934 13.754 -26.218 1.00 6.96 C ATOM 675 OE1 GLU A 43 -5.165 13.589 -26.083 1.00 7.57 O ATOM 676 OE2 GLU A 43 -3.423 14.836 -26.577 1.00 7.23 O ATOM 677 HA GLU A 43 -2.553 10.039 -24.922 1.00 0.00 H ATOM 678 HB2 GLU A 43 -3.057 10.873 -27.202 1.00 0.00 H ATOM 679 HB3 GLU A 43 -4.654 11.417 -26.635 1.00 0.00 H ATOM 680 HG2 GLU A 43 -2.810 12.556 -24.859 1.00 0.00 H ATOM 681 HG3 GLU A 43 -2.080 12.731 -26.472 1.00 0.00 H ATOM 682 H GLU A 43 -4.261 8.812 -26.767 1.00 0.00 H ATOM 683 N GLY A 44 -3.736 10.756 -22.891 1.00 3.68 N ATOM 684 CA GLY A 44 -4.406 11.200 -21.684 1.00 3.54 C ATOM 685 C GLY A 44 -3.470 11.924 -20.738 1.00 3.04 C ATOM 686 O GLY A 44 -3.387 11.584 -19.557 1.00 3.12 O ATOM 687 HA3 GLY A 44 -4.818 10.331 -21.172 1.00 0.00 H ATOM 688 HA2 GLY A 44 -5.216 11.875 -21.961 1.00 0.00 H ATOM 689 H GLY A 44 -2.728 10.501 -22.855 1.00 0.00 H ATOM 690 N THR A 45 -2.763 12.922 -21.258 1.00 2.96 N ATOM 691 CA THR A 45 -1.827 13.699 -20.454 1.00 2.66 C ATOM 692 C THR A 45 -2.464 14.130 -19.136 1.00 2.34 C ATOM 693 O THR A 45 -1.777 14.296 -18.129 1.00 2.51 O ATOM 694 CB THR A 45 -1.353 14.928 -21.230 1.00 3.12 C ATOM 695 OG1 THR A 45 -2.409 15.859 -21.387 1.00 3.75 O ATOM 696 CG2 THR A 45 -0.825 14.598 -22.609 1.00 3.41 C ATOM 697 HA THR A 45 -0.969 13.065 -20.230 1.00 0.00 H ATOM 698 HB THR A 45 -0.540 15.348 -20.638 1.00 0.00 H ATOM 699 HG1 THR A 45 -2.082 16.646 -21.891 1.00 0.00 H ATOM 700 HG23 THR A 45 -0.008 13.881 -22.522 1.00 0.00 H ATOM 701 HG21 THR A 45 -1.626 14.167 -23.210 1.00 0.00 H ATOM 702 HG22 THR A 45 -0.462 15.509 -23.085 1.00 0.00 H ATOM 703 H THR A 45 -2.880 13.155 -22.265 1.00 0.00 H ATOM 704 N GLU A 46 -3.781 14.311 -19.150 1.00 2.22 N ATOM 705 CA GLU A 46 -4.509 14.723 -17.957 1.00 2.10 C ATOM 706 C GLU A 46 -4.214 13.793 -16.784 1.00 1.55 C ATOM 707 O GLU A 46 -3.512 14.165 -15.846 1.00 1.75 O ATOM 708 CB GLU A 46 -6.012 14.749 -18.236 1.00 2.49 C ATOM 709 CG GLU A 46 -6.538 16.125 -18.612 1.00 2.71 C ATOM 710 CD GLU A 46 -7.974 16.088 -19.096 1.00 3.04 C ATOM 711 OE1 GLU A 46 -8.885 15.986 -18.247 1.00 3.51 O ATOM 712 OE2 GLU A 46 -8.189 16.161 -20.324 1.00 3.36 O ATOM 713 HA GLU A 46 -4.177 15.726 -17.691 1.00 0.00 H ATOM 714 HB2 GLU A 46 -6.222 14.063 -19.057 1.00 0.00 H ATOM 715 HB3 GLU A 46 -6.535 14.413 -17.341 1.00 0.00 H ATOM 716 HG2 GLU A 46 -6.481 16.772 -17.737 1.00 0.00 H ATOM 717 HG3 GLU A 46 -5.912 16.533 -19.406 1.00 0.00 H ATOM 718 H GLU A 46 -4.305 14.155 -20.035 1.00 0.00 H ATOM 719 N SER A 47 -4.758 12.582 -16.846 1.00 1.27 N ATOM 720 CA SER A 47 -4.556 11.597 -15.788 1.00 0.84 C ATOM 721 C SER A 47 -3.147 10.994 -15.825 1.00 0.71 C ATOM 722 O SER A 47 -2.782 10.215 -14.948 1.00 0.78 O ATOM 723 CB SER A 47 -5.596 10.482 -15.902 1.00 1.01 C ATOM 724 OG SER A 47 -6.470 10.481 -14.787 1.00 1.59 O ATOM 725 HA SER A 47 -4.672 12.115 -14.836 1.00 0.00 H ATOM 726 HB2 SER A 47 -5.084 9.521 -15.953 1.00 0.00 H ATOM 727 HB3 SER A 47 -6.179 10.631 -16.811 1.00 0.00 H ATOM 728 HG SER A 47 -7.131 9.751 -14.888 1.00 0.00 H ATOM 729 H SER A 47 -5.342 12.330 -17.669 1.00 0.00 H ATOM 730 N GLU A 48 -2.354 11.347 -16.838 1.00 0.68 N ATOM 731 CA GLU A 48 -0.998 10.822 -16.954 1.00 0.67 C ATOM 732 C GLU A 48 -0.112 11.345 -15.830 1.00 0.57 C ATOM 733 O GLU A 48 0.626 10.585 -15.204 1.00 0.63 O ATOM 734 CB GLU A 48 -0.398 11.200 -18.310 1.00 0.85 C ATOM 735 CG GLU A 48 1.080 10.869 -18.434 1.00 1.47 C ATOM 736 CD GLU A 48 1.964 12.097 -18.334 1.00 1.76 C ATOM 737 OE1 GLU A 48 1.728 13.061 -19.092 1.00 2.28 O ATOM 738 OE2 GLU A 48 2.890 12.094 -17.497 1.00 2.15 O ATOM 739 HA GLU A 48 -1.048 9.736 -16.875 1.00 0.00 H ATOM 740 HB2 GLU A 48 -0.939 10.662 -19.089 1.00 0.00 H ATOM 741 HB3 GLU A 48 -0.525 12.273 -18.456 1.00 0.00 H ATOM 742 HG2 GLU A 48 1.351 10.178 -17.636 1.00 0.00 H ATOM 743 HG3 GLU A 48 1.251 10.393 -19.399 1.00 0.00 H ATOM 744 H GLU A 48 -2.709 12.008 -17.558 1.00 0.00 H ATOM 745 N VAL A 89 -0.190 12.647 -15.579 1.00 0.58 N ATOM 746 CA VAL A 89 0.606 13.271 -14.529 1.00 0.57 C ATOM 747 C VAL A 89 0.346 12.615 -13.179 1.00 0.52 C ATOM 748 O VAL A 89 1.239 12.535 -12.335 1.00 0.60 O ATOM 749 CB VAL A 89 0.309 14.779 -14.419 1.00 0.65 C ATOM 750 CG1 VAL A 89 0.681 15.492 -15.711 1.00 1.49 C ATOM 751 CG2 VAL A 89 -1.155 15.010 -14.075 1.00 1.09 C ATOM 752 HA VAL A 89 1.652 13.133 -14.802 1.00 0.00 H ATOM 753 HB VAL A 89 0.917 15.194 -13.615 1.00 0.00 H ATOM 754 HG11 VAL A 89 1.744 15.354 -15.908 1.00 0.00 H ATOM 755 HG12 VAL A 89 0.101 15.076 -16.534 1.00 0.00 H ATOM 756 HG13 VAL A 89 0.464 16.556 -15.613 1.00 0.00 H ATOM 757 HG21 VAL A 89 -1.783 14.581 -14.856 1.00 0.00 H ATOM 758 HG22 VAL A 89 -1.382 14.533 -13.122 1.00 0.00 H ATOM 759 HG23 VAL A 89 -1.345 16.081 -14.002 1.00 0.00 H ATOM 760 H VAL A 89 -0.834 13.235 -16.145 1.00 0.00 H ATOM 761 N VAL A 90 -0.881 12.144 -12.978 1.00 0.46 N ATOM 762 CA VAL A 90 -1.246 11.495 -11.722 1.00 0.46 C ATOM 763 C VAL A 90 -0.734 10.059 -11.672 1.00 0.48 C ATOM 764 O VAL A 90 -0.345 9.568 -10.613 1.00 0.59 O ATOM 765 CB VAL A 90 -2.771 11.501 -11.465 1.00 0.48 C ATOM 766 CG1 VAL A 90 -3.458 12.622 -12.231 1.00 0.52 C ATOM 767 CG2 VAL A 90 -3.383 10.152 -11.810 1.00 0.55 C ATOM 768 HA VAL A 90 -0.770 12.081 -10.936 1.00 0.00 H ATOM 769 HB VAL A 90 -2.928 11.684 -10.402 1.00 0.00 H ATOM 770 HG11 VAL A 90 -3.049 13.581 -11.913 1.00 0.00 H ATOM 771 HG12 VAL A 90 -3.287 12.488 -13.299 1.00 0.00 H ATOM 772 HG13 VAL A 90 -4.528 12.597 -12.027 1.00 0.00 H ATOM 773 HG21 VAL A 90 -3.205 9.932 -12.863 1.00 0.00 H ATOM 774 HG22 VAL A 90 -2.925 9.378 -11.193 1.00 0.00 H ATOM 775 HG23 VAL A 90 -4.456 10.182 -11.621 1.00 0.00 H ATOM 776 H VAL A 90 -1.594 12.240 -13.729 1.00 0.00 H ATOM 777 N HIS A 91 -0.738 9.390 -12.819 1.00 0.47 N ATOM 778 CA HIS A 91 -0.274 8.010 -12.895 1.00 0.51 C ATOM 779 C HIS A 91 1.183 7.910 -12.462 1.00 0.57 C ATOM 780 O HIS A 91 1.535 7.077 -11.630 1.00 0.82 O ATOM 781 CB HIS A 91 -0.436 7.471 -14.318 1.00 0.56 C ATOM 782 CG HIS A 91 -1.859 7.184 -14.688 1.00 0.86 C ATOM 783 ND1 HIS A 91 -2.914 7.367 -13.820 1.00 0.88 N ATOM 784 CD2 HIS A 91 -2.398 6.724 -15.843 1.00 1.53 C ATOM 785 CE1 HIS A 91 -4.041 7.031 -14.424 1.00 1.28 C ATOM 786 NE2 HIS A 91 -3.755 6.638 -15.651 1.00 1.76 N ATOM 787 HA HIS A 91 -0.881 7.408 -12.219 1.00 0.00 H ATOM 788 HB2 HIS A 91 -0.040 8.210 -15.015 1.00 0.00 H ATOM 789 HB3 HIS A 91 0.137 6.548 -14.405 1.00 0.00 H ATOM 790 HD2 HIS A 91 -1.856 6.470 -16.754 1.00 0.00 H ATOM 791 HE1 HIS A 91 -5.037 7.072 -13.983 1.00 0.00 H ATOM 792 H HIS A 91 -1.079 9.860 -13.681 1.00 0.00 H ATOM 793 N LEU A 92 2.025 8.771 -13.025 1.00 0.50 N ATOM 794 CA LEU A 92 3.445 8.780 -12.691 1.00 0.54 C ATOM 795 C LEU A 92 3.653 9.040 -11.204 1.00 0.53 C ATOM 796 O LEU A 92 4.531 8.451 -10.581 1.00 0.60 O ATOM 797 CB LEU A 92 4.178 9.841 -13.514 1.00 0.60 C ATOM 798 CG LEU A 92 4.548 9.415 -14.935 1.00 1.26 C ATOM 799 CD1 LEU A 92 4.887 10.629 -15.786 1.00 2.14 C ATOM 800 CD2 LEU A 92 5.714 8.437 -14.911 1.00 2.01 C ATOM 801 HA LEU A 92 3.854 7.798 -12.930 1.00 0.00 H ATOM 802 HB2 LEU A 92 3.537 10.720 -13.580 1.00 0.00 H ATOM 803 HB3 LEU A 92 5.097 10.102 -12.989 1.00 0.00 H ATOM 804 HG LEU A 92 3.688 8.915 -15.379 1.00 0.00 H ATOM 805 HD21 LEU A 92 6.577 8.914 -14.447 1.00 0.00 H ATOM 806 HD22 LEU A 92 5.434 7.554 -14.337 1.00 0.00 H ATOM 807 HD23 LEU A 92 5.963 8.145 -15.931 1.00 0.00 H ATOM 808 HD11 LEU A 92 4.024 11.293 -15.829 1.00 0.00 H ATOM 809 HD12 LEU A 92 5.732 11.157 -15.343 1.00 0.00 H ATOM 810 HD13 LEU A 92 5.147 10.304 -16.793 1.00 0.00 H ATOM 811 H LEU A 92 1.663 9.454 -13.720 1.00 0.00 H ATOM 812 N THR A 93 2.839 9.926 -10.642 1.00 0.49 N ATOM 813 CA THR A 93 2.939 10.267 -9.227 1.00 0.51 C ATOM 814 C THR A 93 2.559 9.084 -8.342 1.00 0.48 C ATOM 815 O THR A 93 3.300 8.719 -7.429 1.00 0.59 O ATOM 816 CB THR A 93 2.043 11.464 -8.907 1.00 0.53 C ATOM 817 OG1 THR A 93 2.069 12.407 -9.964 1.00 0.94 O ATOM 818 CG2 THR A 93 2.441 12.186 -7.638 1.00 1.06 C ATOM 819 HA THR A 93 3.977 10.527 -9.020 1.00 0.00 H ATOM 820 HB THR A 93 1.044 11.049 -8.772 1.00 0.00 H ATOM 821 HG1 THR A 93 1.745 11.978 -10.795 1.00 0.00 H ATOM 822 HG23 THR A 93 2.430 11.485 -6.804 1.00 0.00 H ATOM 823 HG21 THR A 93 3.443 12.598 -7.755 1.00 0.00 H ATOM 824 HG22 THR A 93 1.735 12.994 -7.444 1.00 0.00 H ATOM 825 H THR A 93 2.112 10.388 -11.225 1.00 0.00 H ATOM 826 N LEU A 94 1.400 8.495 -8.612 1.00 0.43 N ATOM 827 CA LEU A 94 0.920 7.359 -7.832 1.00 0.42 C ATOM 828 C LEU A 94 1.851 6.158 -7.970 1.00 0.44 C ATOM 829 O LEU A 94 2.248 5.554 -6.974 1.00 0.48 O ATOM 830 CB LEU A 94 -0.493 6.974 -8.274 1.00 0.42 C ATOM 831 CG LEU A 94 -1.398 6.443 -7.160 1.00 0.37 C ATOM 832 CD1 LEU A 94 -0.621 5.519 -6.236 1.00 0.30 C ATOM 833 CD2 LEU A 94 -2.008 7.596 -6.376 1.00 0.52 C ATOM 834 HA LEU A 94 0.902 7.658 -6.784 1.00 0.00 H ATOM 835 HB2 LEU A 94 -0.966 7.858 -8.702 1.00 0.00 H ATOM 836 HB3 LEU A 94 -0.410 6.202 -9.039 1.00 0.00 H ATOM 837 HG LEU A 94 -2.206 5.871 -7.615 1.00 0.00 H ATOM 838 HD21 LEU A 94 -1.212 8.194 -5.932 1.00 0.00 H ATOM 839 HD22 LEU A 94 -2.599 8.218 -7.048 1.00 0.00 H ATOM 840 HD23 LEU A 94 -2.648 7.199 -5.588 1.00 0.00 H ATOM 841 HD11 LEU A 94 -0.233 4.677 -6.809 1.00 0.00 H ATOM 842 HD12 LEU A 94 0.207 6.068 -5.788 1.00 0.00 H ATOM 843 HD13 LEU A 94 -1.282 5.152 -5.451 1.00 0.00 H ATOM 844 H LEU A 94 0.820 8.852 -9.398 1.00 0.00 H ATOM 845 N ARG A 95 2.190 5.811 -9.207 1.00 0.46 N ATOM 846 CA ARG A 95 3.067 4.675 -9.465 1.00 0.51 C ATOM 847 C ARG A 95 4.457 4.901 -8.877 1.00 0.55 C ATOM 848 O ARG A 95 5.032 4.002 -8.263 1.00 0.66 O ATOM 849 CB ARG A 95 3.177 4.408 -10.968 1.00 0.55 C ATOM 850 CG ARG A 95 2.729 3.014 -11.372 1.00 1.48 C ATOM 851 CD ARG A 95 3.880 2.201 -11.938 1.00 1.64 C ATOM 852 NE ARG A 95 4.976 2.062 -10.981 1.00 2.22 N ATOM 853 CZ ARG A 95 4.980 1.186 -9.978 1.00 2.62 C ATOM 854 NH1 ARG A 95 3.952 0.366 -9.792 1.00 2.72 N ATOM 855 NH2 ARG A 95 6.018 1.129 -9.154 1.00 3.36 N ATOM 856 HA ARG A 95 2.626 3.804 -8.979 1.00 0.00 H ATOM 857 HB2 ARG A 95 2.558 5.135 -11.494 1.00 0.00 H ATOM 858 HB3 ARG A 95 4.218 4.536 -11.266 1.00 0.00 H ATOM 859 HG2 ARG A 95 2.331 2.502 -10.496 1.00 0.00 H ATOM 860 HG3 ARG A 95 1.949 3.098 -12.128 1.00 0.00 H ATOM 861 HD2 ARG A 95 4.255 2.697 -12.833 1.00 0.00 H ATOM 862 HD3 ARG A 95 3.514 1.208 -12.201 1.00 0.00 H ATOM 863 HE ARG A 95 5.802 2.684 -11.090 1.00 0.00 H ATOM 864 HH12 ARG A 95 3.965 -0.314 -9.006 1.00 0.00 H ATOM 865 HH11 ARG A 95 3.134 0.404 -10.433 1.00 0.00 H ATOM 866 HH22 ARG A 95 6.023 0.445 -8.370 1.00 0.00 H ATOM 867 HH21 ARG A 95 6.827 1.768 -9.292 1.00 0.00 H ATOM 868 H ARG A 95 1.822 6.362 -10.009 1.00 0.00 H ATOM 869 N GLN A 96 4.998 6.100 -9.073 1.00 0.57 N ATOM 870 CA GLN A 96 6.326 6.421 -8.563 1.00 0.64 C ATOM 871 C GLN A 96 6.314 6.607 -7.048 1.00 0.54 C ATOM 872 O GLN A 96 7.175 6.078 -6.347 1.00 0.53 O ATOM 873 CB GLN A 96 6.881 7.678 -9.242 1.00 0.89 C ATOM 874 CG GLN A 96 6.403 8.980 -8.616 1.00 1.14 C ATOM 875 CD GLN A 96 6.837 10.199 -9.407 1.00 1.66 C ATOM 876 OE1 GLN A 96 6.005 10.966 -9.893 1.00 2.31 O ATOM 877 NE2 GLN A 96 8.145 10.385 -9.538 1.00 2.17 N ATOM 878 HA GLN A 96 6.976 5.578 -8.796 1.00 0.00 H ATOM 879 HB2 GLN A 96 7.969 7.648 -9.183 1.00 0.00 H ATOM 880 HB3 GLN A 96 6.574 7.667 -10.288 1.00 0.00 H ATOM 881 HG2 GLN A 96 5.314 8.965 -8.566 1.00 0.00 H ATOM 882 HG3 GLN A 96 6.811 9.054 -7.608 1.00 0.00 H ATOM 883 HE22 GLN A 96 8.812 9.711 -9.110 1.00 0.00 H ATOM 884 HE21 GLN A 96 8.503 11.205 -10.068 1.00 0.00 H ATOM 885 H GLN A 96 4.465 6.821 -9.599 1.00 0.00 H ATOM 886 N ALA A 97 5.337 7.357 -6.543 1.00 0.60 N ATOM 887 CA ALA A 97 5.235 7.596 -5.110 1.00 0.70 C ATOM 888 C ALA A 97 4.966 6.293 -4.365 1.00 0.67 C ATOM 889 O ALA A 97 5.636 5.976 -3.383 1.00 0.79 O ATOM 890 CB ALA A 97 4.138 8.609 -4.806 1.00 0.84 C ATOM 891 HA ALA A 97 6.187 8.004 -4.769 1.00 0.00 H ATOM 892 HB1 ALA A 97 4.367 9.551 -5.304 1.00 0.00 H ATOM 893 HB2 ALA A 97 3.183 8.228 -5.168 1.00 0.00 H ATOM 894 HB3 ALA A 97 4.082 8.770 -3.729 1.00 0.00 H ATOM 895 H ALA A 97 4.634 7.780 -7.183 1.00 0.00 H ATOM 896 N GLY A 98 3.978 5.539 -4.841 1.00 0.62 N ATOM 897 CA GLY A 98 3.637 4.277 -4.212 1.00 0.80 C ATOM 898 C GLY A 98 4.850 3.398 -3.987 1.00 0.90 C ATOM 899 O GLY A 98 5.114 2.966 -2.864 1.00 1.24 O ATOM 900 HA3 GLY A 98 2.933 3.745 -4.852 1.00 0.00 H ATOM 901 HA2 GLY A 98 3.168 4.481 -3.249 1.00 0.00 H ATOM 902 H GLY A 98 3.444 5.858 -5.674 1.00 0.00 H ATOM 903 N ASP A 99 5.594 3.134 -5.057 1.00 0.79 N ATOM 904 CA ASP A 99 6.789 2.304 -4.971 1.00 0.94 C ATOM 905 C ASP A 99 7.825 2.943 -4.052 1.00 0.87 C ATOM 906 O ASP A 99 8.576 2.248 -3.367 1.00 0.93 O ATOM 907 CB ASP A 99 7.388 2.088 -6.363 1.00 1.11 C ATOM 908 CG ASP A 99 8.671 2.870 -6.567 1.00 1.52 C ATOM 909 OD1 ASP A 99 9.750 2.341 -6.225 1.00 2.18 O ATOM 910 OD2 ASP A 99 8.597 4.010 -7.071 1.00 1.94 O ATOM 911 HA ASP A 99 6.503 1.338 -4.554 1.00 0.00 H ATOM 912 HB2 ASP A 99 7.600 1.027 -6.493 1.00 0.00 H ATOM 913 HB3 ASP A 99 6.661 2.406 -7.111 1.00 0.00 H ATOM 914 H ASP A 99 5.316 3.530 -5.978 1.00 0.00 H ATOM 915 N ASP A 100 7.857 4.272 -4.040 1.00 0.80 N ATOM 916 CA ASP A 100 8.797 5.008 -3.203 1.00 0.84 C ATOM 917 C ASP A 100 8.538 4.729 -1.725 1.00 0.82 C ATOM 918 O ASP A 100 9.466 4.482 -0.956 1.00 0.93 O ATOM 919 CB ASP A 100 8.687 6.509 -3.475 1.00 0.89 C ATOM 920 CG ASP A 100 9.769 7.008 -4.413 1.00 1.21 C ATOM 921 OD1 ASP A 100 10.957 6.722 -4.154 1.00 1.89 O ATOM 922 OD2 ASP A 100 9.428 7.686 -5.405 1.00 1.65 O ATOM 923 HA ASP A 100 9.805 4.674 -3.449 1.00 0.00 H ATOM 924 HB2 ASP A 100 7.714 6.714 -3.922 1.00 0.00 H ATOM 925 HB3 ASP A 100 8.770 7.043 -2.529 1.00 0.00 H ATOM 926 H ASP A 100 7.195 4.800 -4.643 1.00 0.00 H ATOM 927 N PHE A 101 7.268 4.773 -1.339 1.00 0.76 N ATOM 928 CA PHE A 101 6.873 4.526 0.045 1.00 0.82 C ATOM 929 C PHE A 101 7.295 3.133 0.504 1.00 0.90 C ATOM 930 O PHE A 101 7.939 2.971 1.540 1.00 1.10 O ATOM 931 CB PHE A 101 5.358 4.579 0.160 1.00 0.90 C ATOM 932 CG PHE A 101 4.779 3.523 1.058 1.00 0.72 C ATOM 933 CD1 PHE A 101 4.818 3.675 2.437 1.00 1.10 C ATOM 934 CD2 PHE A 101 4.192 2.385 0.529 1.00 1.30 C ATOM 935 CE1 PHE A 101 4.282 2.709 3.268 1.00 1.14 C ATOM 936 CE2 PHE A 101 3.656 1.417 1.356 1.00 1.41 C ATOM 937 CZ PHE A 101 3.701 1.580 2.726 1.00 0.94 C ATOM 938 HA PHE A 101 7.356 5.287 0.658 1.00 0.00 H ATOM 939 HB2 PHE A 101 5.077 5.556 0.553 1.00 0.00 H ATOM 940 HB3 PHE A 101 4.933 4.454 -0.836 1.00 0.00 H ATOM 941 HD2 PHE A 101 4.153 2.252 -0.552 1.00 0.00 H ATOM 942 HE2 PHE A 101 3.198 0.526 0.927 1.00 0.00 H ATOM 943 HZ PHE A 101 3.278 0.817 3.380 1.00 0.00 H ATOM 944 HE1 PHE A 101 4.318 2.839 4.350 1.00 0.00 H ATOM 945 HD1 PHE A 101 5.276 4.565 2.869 1.00 0.00 H ATOM 946 H PHE A 101 6.534 4.990 -2.043 1.00 0.00 H ATOM 947 N SER A 102 6.896 2.128 -0.277 1.00 0.92 N ATOM 948 CA SER A 102 7.194 0.736 0.040 1.00 1.05 C ATOM 949 C SER A 102 8.697 0.528 0.196 1.00 1.03 C ATOM 950 O SER A 102 9.142 -0.272 1.020 1.00 1.11 O ATOM 951 CB SER A 102 6.650 -0.186 -1.051 1.00 1.13 C ATOM 952 OG SER A 102 7.655 -0.505 -1.999 1.00 1.55 O ATOM 953 HA SER A 102 6.709 0.491 0.985 1.00 0.00 H ATOM 954 HB2 SER A 102 5.825 0.313 -1.560 1.00 0.00 H ATOM 955 HB3 SER A 102 6.288 -1.106 -0.592 1.00 0.00 H ATOM 956 HG SER A 102 7.984 0.327 -2.422 1.00 0.00 H ATOM 957 H SER A 102 6.356 2.344 -1.139 1.00 0.00 H ATOM 958 N ARG A 103 9.473 1.256 -0.599 1.00 0.99 N ATOM 959 CA ARG A 103 10.927 1.156 -0.551 1.00 1.02 C ATOM 960 C ARG A 103 11.463 1.634 0.796 1.00 1.05 C ATOM 961 O ARG A 103 12.492 1.156 1.273 1.00 1.10 O ATOM 962 CB ARG A 103 11.554 1.975 -1.681 1.00 1.04 C ATOM 963 CG ARG A 103 11.612 1.236 -3.008 1.00 1.29 C ATOM 964 CD ARG A 103 13.038 0.859 -3.373 1.00 1.63 C ATOM 965 NE ARG A 103 13.085 -0.205 -4.373 1.00 2.15 N ATOM 966 CZ ARG A 103 14.179 -0.536 -5.056 1.00 2.57 C ATOM 967 NH1 ARG A 103 15.323 0.109 -4.853 1.00 2.68 N ATOM 968 NH2 ARG A 103 14.131 -1.516 -5.947 1.00 3.43 N ATOM 969 HA ARG A 103 11.197 0.108 -0.678 1.00 0.00 H ATOM 970 HB2 ARG A 103 10.966 2.882 -1.817 1.00 0.00 H ATOM 971 HB3 ARG A 103 12.570 2.242 -1.390 1.00 0.00 H ATOM 972 HG2 ARG A 103 11.013 0.328 -2.935 1.00 0.00 H ATOM 973 HG3 ARG A 103 11.204 1.877 -3.789 1.00 0.00 H ATOM 974 HD2 ARG A 103 13.554 0.520 -2.474 1.00 0.00 H ATOM 975 HD3 ARG A 103 13.544 1.739 -3.771 1.00 0.00 H ATOM 976 HE ARG A 103 12.211 -0.736 -4.563 1.00 0.00 H ATOM 977 HH12 ARG A 103 16.172 -0.157 -5.391 1.00 0.00 H ATOM 978 HH11 ARG A 103 15.369 0.879 -4.156 1.00 0.00 H ATOM 979 HH22 ARG A 103 14.985 -1.775 -6.481 1.00 0.00 H ATOM 980 HH21 ARG A 103 13.240 -2.026 -6.112 1.00 0.00 H ATOM 981 H ARG A 103 9.032 1.914 -1.273 1.00 0.00 H ATOM 982 N ARG A 104 10.757 2.583 1.398 1.00 1.05 N ATOM 983 CA ARG A 104 11.150 3.140 2.689 1.00 1.13 C ATOM 984 C ARG A 104 10.788 2.219 3.855 1.00 1.18 C ATOM 985 O ARG A 104 11.233 2.432 4.982 1.00 1.28 O ATOM 986 CB ARG A 104 10.493 4.507 2.891 1.00 1.10 C ATOM 987 CG ARG A 104 11.112 5.610 2.049 1.00 1.55 C ATOM 988 CD ARG A 104 10.587 6.979 2.452 1.00 2.03 C ATOM 989 NE ARG A 104 11.654 7.975 2.522 1.00 2.59 N ATOM 990 CZ ARG A 104 11.477 9.227 2.942 1.00 2.85 C ATOM 991 NH1 ARG A 104 10.278 9.644 3.332 1.00 2.76 N ATOM 992 NH2 ARG A 104 12.504 10.065 2.971 1.00 3.73 N ATOM 993 HA ARG A 104 12.235 3.245 2.677 1.00 0.00 H ATOM 994 HB2 ARG A 104 9.438 4.425 2.630 1.00 0.00 H ATOM 995 HB3 ARG A 104 10.585 4.782 3.942 1.00 0.00 H ATOM 996 HG2 ARG A 104 12.194 5.592 2.181 1.00 0.00 H ATOM 997 HG3 ARG A 104 10.872 5.433 1.001 1.00 0.00 H ATOM 998 HD2 ARG A 104 10.113 6.901 3.431 1.00 0.00 H ATOM 999 HD3 ARG A 104 9.850 7.304 1.718 1.00 0.00 H ATOM 1000 HE ARG A 104 12.609 7.689 2.226 1.00 0.00 H ATOM 1001 HH12 ARG A 104 10.149 10.623 3.658 1.00 0.00 H ATOM 1002 HH11 ARG A 104 9.468 8.992 3.311 1.00 0.00 H ATOM 1003 HH22 ARG A 104 12.368 11.043 3.298 1.00 0.00 H ATOM 1004 HH21 ARG A 104 13.445 9.745 2.666 1.00 0.00 H ATOM 1005 H ARG A 104 9.897 2.941 0.936 1.00 0.00 H ATOM 1006 N TYR A 105 9.945 1.230 3.591 1.00 1.15 N ATOM 1007 CA TYR A 105 9.481 0.318 4.624 1.00 1.24 C ATOM 1008 C TYR A 105 9.854 -1.125 4.292 1.00 1.11 C ATOM 1009 O TYR A 105 9.114 -1.840 3.616 1.00 1.65 O ATOM 1010 CB TYR A 105 7.969 0.547 4.731 1.00 1.47 C ATOM 1011 CG TYR A 105 7.587 1.716 5.634 1.00 1.71 C ATOM 1012 CD1 TYR A 105 7.669 1.587 7.016 1.00 2.34 C ATOM 1013 CD2 TYR A 105 7.149 2.950 5.118 1.00 1.96 C ATOM 1014 CE1 TYR A 105 7.333 2.632 7.856 1.00 2.65 C ATOM 1015 CE2 TYR A 105 6.815 3.994 5.959 1.00 2.22 C ATOM 1016 CZ TYR A 105 6.908 3.831 7.324 1.00 2.35 C ATOM 1017 OH TYR A 105 6.574 4.870 8.161 1.00 2.72 O ATOM 1018 HA TYR A 105 9.956 0.507 5.587 1.00 0.00 H ATOM 1019 HB3 TYR A 105 7.511 -0.359 5.128 1.00 0.00 H ATOM 1020 HB2 TYR A 105 7.579 0.742 3.732 1.00 0.00 H ATOM 1021 HD2 TYR A 105 7.072 3.084 4.039 1.00 0.00 H ATOM 1022 HE2 TYR A 105 6.479 4.944 5.544 1.00 0.00 H ATOM 1023 HE1 TYR A 105 7.404 2.509 8.937 1.00 0.00 H ATOM 1024 HD1 TYR A 105 8.005 0.643 7.445 1.00 0.00 H ATOM 1025 HH TYR A 105 6.697 4.587 9.102 1.00 0.00 H ATOM 1026 H TYR A 105 9.606 1.103 2.616 1.00 0.00 H ATOM 1027 N ARG A 106 11.040 -1.521 4.757 1.00 1.41 N ATOM 1028 CA ARG A 106 11.579 -2.855 4.509 1.00 1.46 C ATOM 1029 C ARG A 106 10.791 -3.951 5.219 1.00 1.44 C ATOM 1030 O ARG A 106 10.490 -4.986 4.625 1.00 2.06 O ATOM 1031 CB ARG A 106 13.046 -2.915 4.939 1.00 1.56 C ATOM 1032 CG ARG A 106 13.900 -3.817 4.062 1.00 1.96 C ATOM 1033 CD ARG A 106 14.803 -3.008 3.146 1.00 2.36 C ATOM 1034 NE ARG A 106 14.828 -3.546 1.788 1.00 2.86 N ATOM 1035 CZ ARG A 106 13.874 -3.330 0.884 1.00 3.59 C ATOM 1036 NH1 ARG A 106 12.815 -2.587 1.185 1.00 3.91 N ATOM 1037 NH2 ARG A 106 13.979 -3.861 -0.327 1.00 4.41 N ATOM 1038 HA ARG A 106 11.494 -3.037 3.438 1.00 0.00 H ATOM 1039 HB2 ARG A 106 13.458 -1.907 4.901 1.00 0.00 H ATOM 1040 HB3 ARG A 106 13.091 -3.286 5.963 1.00 0.00 H ATOM 1041 HG2 ARG A 106 14.517 -4.450 4.699 1.00 0.00 H ATOM 1042 HG3 ARG A 106 13.246 -4.442 3.454 1.00 0.00 H ATOM 1043 HD2 ARG A 106 15.816 -3.021 3.549 1.00 0.00 H ATOM 1044 HD3 ARG A 106 14.440 -1.981 3.111 1.00 0.00 H ATOM 1045 HE ARG A 106 15.640 -4.133 1.510 1.00 0.00 H ATOM 1046 HH12 ARG A 106 12.075 -2.424 0.473 1.00 0.00 H ATOM 1047 HH11 ARG A 106 12.726 -2.169 2.133 1.00 0.00 H ATOM 1048 HH22 ARG A 106 13.235 -3.694 -1.034 1.00 0.00 H ATOM 1049 HH21 ARG A 106 14.805 -4.445 -0.569 1.00 0.00 H ATOM 1050 H ARG A 106 11.604 -0.852 5.319 1.00 0.00 H ATOM 1051 N ARG A 107 10.482 -3.745 6.493 1.00 1.24 N ATOM 1052 CA ARG A 107 9.759 -4.754 7.258 1.00 1.39 C ATOM 1053 C ARG A 107 8.409 -4.250 7.760 1.00 1.32 C ATOM 1054 O ARG A 107 8.333 -3.539 8.762 1.00 1.98 O ATOM 1055 CB ARG A 107 10.608 -5.219 8.443 1.00 1.68 C ATOM 1056 CG ARG A 107 11.677 -4.220 8.855 1.00 2.10 C ATOM 1057 CD ARG A 107 12.441 -4.696 10.080 1.00 2.68 C ATOM 1058 NE ARG A 107 13.373 -3.686 10.575 1.00 3.25 N ATOM 1059 CZ ARG A 107 14.513 -3.362 9.967 1.00 3.84 C ATOM 1060 NH1 ARG A 107 14.864 -3.955 8.830 1.00 4.02 N ATOM 1061 NH2 ARG A 107 15.306 -2.441 10.495 1.00 4.68 N ATOM 1062 HA ARG A 107 9.566 -5.589 6.585 1.00 0.00 H ATOM 1063 HB2 ARG A 107 9.949 -5.389 9.294 1.00 0.00 H ATOM 1064 HB3 ARG A 107 11.097 -6.155 8.171 1.00 0.00 H ATOM 1065 HG2 ARG A 107 12.377 -4.089 8.030 1.00 0.00 H ATOM 1066 HG3 ARG A 107 11.202 -3.266 9.082 1.00 0.00 H ATOM 1067 HD2 ARG A 107 13.002 -5.593 9.818 1.00 0.00 H ATOM 1068 HD3 ARG A 107 11.727 -4.933 10.869 1.00 0.00 H ATOM 1069 HE ARG A 107 13.132 -3.189 11.456 1.00 0.00 H ATOM 1070 HH12 ARG A 107 15.756 -3.696 8.362 1.00 0.00 H ATOM 1071 HH11 ARG A 107 14.247 -4.678 8.408 1.00 0.00 H ATOM 1072 HH22 ARG A 107 16.196 -2.188 10.021 1.00 0.00 H ATOM 1073 HH21 ARG A 107 15.038 -1.972 11.384 1.00 0.00 H ATOM 1074 H ARG A 107 10.759 -2.853 6.951 1.00 0.00 H ATOM 1075 N ASP A 108 7.344 -4.651 7.073 1.00 1.26 N ATOM 1076 CA ASP A 108 5.992 -4.269 7.463 1.00 1.18 C ATOM 1077 C ASP A 108 4.950 -4.963 6.591 1.00 1.00 C ATOM 1078 O ASP A 108 4.236 -5.849 7.060 1.00 1.81 O ATOM 1079 CB ASP A 108 5.806 -2.765 7.422 1.00 1.49 C ATOM 1080 CG ASP A 108 6.640 -2.144 6.348 1.00 1.95 C ATOM 1081 OD1 ASP A 108 7.823 -1.844 6.617 1.00 2.62 O ATOM 1082 OD2 ASP A 108 6.116 -1.964 5.231 1.00 2.32 O ATOM 1083 HA ASP A 108 5.847 -4.596 8.493 1.00 0.00 H ATOM 1084 HB2 ASP A 108 4.756 -2.542 7.231 1.00 0.00 H ATOM 1085 HB3 ASP A 108 6.096 -2.345 8.385 1.00 0.00 H ATOM 1086 H ASP A 108 7.479 -5.253 6.236 1.00 0.00 H ATOM 1087 N PHE A 109 4.856 -4.562 5.328 1.00 0.83 N ATOM 1088 CA PHE A 109 3.887 -5.164 4.420 1.00 0.54 C ATOM 1089 C PHE A 109 4.322 -6.554 3.963 1.00 0.52 C ATOM 1090 O PHE A 109 3.507 -7.473 3.889 1.00 0.57 O ATOM 1091 CB PHE A 109 3.639 -4.265 3.203 1.00 0.66 C ATOM 1092 CG PHE A 109 4.890 -3.808 2.506 1.00 0.36 C ATOM 1093 CD1 PHE A 109 5.589 -4.664 1.669 1.00 1.16 C ATOM 1094 CD2 PHE A 109 5.360 -2.518 2.681 1.00 1.17 C ATOM 1095 CE1 PHE A 109 6.736 -4.240 1.023 1.00 1.21 C ATOM 1096 CE2 PHE A 109 6.505 -2.089 2.040 1.00 1.24 C ATOM 1097 CZ PHE A 109 7.195 -2.950 1.210 1.00 0.64 C ATOM 1098 HA PHE A 109 2.955 -5.269 4.976 1.00 0.00 H ATOM 1099 HB2 PHE A 109 3.032 -4.819 2.487 1.00 0.00 H ATOM 1100 HB3 PHE A 109 3.092 -3.383 3.536 1.00 0.00 H ATOM 1101 HD2 PHE A 109 4.819 -1.832 3.333 1.00 0.00 H ATOM 1102 HE2 PHE A 109 6.864 -1.071 2.189 1.00 0.00 H ATOM 1103 HZ PHE A 109 8.099 -2.613 0.704 1.00 0.00 H ATOM 1104 HE1 PHE A 109 7.277 -4.922 0.367 1.00 0.00 H ATOM 1105 HD1 PHE A 109 5.231 -5.682 1.518 1.00 0.00 H ATOM 1106 H PHE A 109 5.483 -3.808 4.982 1.00 0.00 H ATOM 1107 N ALA A 110 5.603 -6.701 3.648 1.00 0.56 N ATOM 1108 CA ALA A 110 6.132 -7.980 3.187 1.00 0.65 C ATOM 1109 C ALA A 110 6.157 -9.008 4.314 1.00 0.69 C ATOM 1110 O ALA A 110 5.703 -10.140 4.144 1.00 0.74 O ATOM 1111 CB ALA A 110 7.527 -7.796 2.608 1.00 0.75 C ATOM 1112 HA ALA A 110 5.471 -8.355 2.406 1.00 0.00 H ATOM 1113 HB1 ALA A 110 7.481 -7.105 1.766 1.00 0.00 H ATOM 1114 HB2 ALA A 110 8.187 -7.393 3.376 1.00 0.00 H ATOM 1115 HB3 ALA A 110 7.908 -8.759 2.268 1.00 0.00 H ATOM 1116 H ALA A 110 6.244 -5.886 3.732 1.00 0.00 H ATOM 1117 N GLU A 111 6.695 -8.609 5.463 1.00 0.75 N ATOM 1118 CA GLU A 111 6.783 -9.500 6.616 1.00 0.89 C ATOM 1119 C GLU A 111 5.422 -10.106 6.948 1.00 0.84 C ATOM 1120 O GLU A 111 5.318 -11.290 7.266 1.00 0.93 O ATOM 1121 CB GLU A 111 7.330 -8.747 7.829 1.00 1.02 C ATOM 1122 CG GLU A 111 8.407 -9.509 8.583 1.00 1.51 C ATOM 1123 CD GLU A 111 8.078 -9.688 10.051 1.00 1.83 C ATOM 1124 OE1 GLU A 111 8.312 -8.741 10.831 1.00 2.23 O ATOM 1125 OE2 GLU A 111 7.586 -10.774 10.422 1.00 2.54 O ATOM 1126 HA GLU A 111 7.466 -10.311 6.362 1.00 0.00 H ATOM 1127 HB2 GLU A 111 7.752 -7.802 7.487 1.00 0.00 H ATOM 1128 HB3 GLU A 111 6.505 -8.549 8.513 1.00 0.00 H ATOM 1129 HG2 GLU A 111 8.521 -10.493 8.128 1.00 0.00 H ATOM 1130 HG3 GLU A 111 9.345 -8.961 8.500 1.00 0.00 H ATOM 1131 H GLU A 111 7.062 -7.639 5.542 1.00 0.00 H ATOM 1132 N MET A 112 4.382 -9.284 6.875 1.00 0.74 N ATOM 1133 CA MET A 112 3.024 -9.732 7.170 1.00 0.74 C ATOM 1134 C MET A 112 2.502 -10.678 6.089 1.00 0.69 C ATOM 1135 O MET A 112 1.648 -11.524 6.354 1.00 0.73 O ATOM 1136 CB MET A 112 2.087 -8.528 7.300 1.00 0.79 C ATOM 1137 CG MET A 112 2.305 -7.718 8.570 1.00 0.67 C ATOM 1138 SD MET A 112 1.059 -6.433 8.796 1.00 1.04 S ATOM 1139 CE MET A 112 2.012 -4.959 8.429 1.00 0.84 C ATOM 1140 HA MET A 112 3.051 -10.275 8.115 1.00 0.00 H ATOM 1141 HB2 MET A 112 2.246 -7.874 6.443 1.00 0.00 H ATOM 1142 HB3 MET A 112 1.059 -8.890 7.294 1.00 0.00 H ATOM 1143 HG2 MET A 112 3.287 -7.248 8.520 1.00 0.00 H ATOM 1144 HG3 MET A 112 2.270 -8.393 9.425 1.00 0.00 H ATOM 1145 HE1 MET A 112 2.846 -4.884 9.127 1.00 0.00 H ATOM 1146 HE2 MET A 112 2.394 -5.019 7.410 1.00 0.00 H ATOM 1147 HE3 MET A 112 1.373 -4.081 8.527 1.00 0.00 H ATOM 1148 H MET A 112 4.539 -8.293 6.600 1.00 0.00 H ATOM 1149 N SER A 113 3.010 -10.524 4.870 1.00 0.69 N ATOM 1150 CA SER A 113 2.582 -11.360 3.752 1.00 0.75 C ATOM 1151 C SER A 113 2.657 -12.843 4.106 1.00 0.80 C ATOM 1152 O SER A 113 1.827 -13.635 3.665 1.00 0.86 O ATOM 1153 CB SER A 113 3.441 -11.077 2.519 1.00 0.88 C ATOM 1154 OG SER A 113 2.825 -11.572 1.343 1.00 1.64 O ATOM 1155 HA SER A 113 1.543 -11.114 3.532 1.00 0.00 H ATOM 1156 HB2 SER A 113 4.411 -11.558 2.643 1.00 0.00 H ATOM 1157 HB3 SER A 113 3.581 -10.000 2.422 1.00 0.00 H ATOM 1158 HG SER A 113 3.401 -11.376 0.562 1.00 0.00 H ATOM 1159 H SER A 113 3.729 -9.790 4.709 1.00 0.00 H ATOM 1160 N SER A 114 3.654 -13.214 4.901 1.00 0.86 N ATOM 1161 CA SER A 114 3.829 -14.606 5.306 1.00 1.02 C ATOM 1162 C SER A 114 2.552 -15.161 5.930 1.00 1.00 C ATOM 1163 O SER A 114 2.244 -16.345 5.794 1.00 1.31 O ATOM 1164 CB SER A 114 4.989 -14.729 6.296 1.00 1.19 C ATOM 1165 OG SER A 114 6.215 -14.955 5.621 1.00 2.15 O ATOM 1166 HA SER A 114 4.057 -15.189 4.414 1.00 0.00 H ATOM 1167 HB2 SER A 114 4.795 -15.563 6.970 1.00 0.00 H ATOM 1168 HB3 SER A 114 5.065 -13.807 6.873 1.00 0.00 H ATOM 1169 HG SER A 114 6.946 -15.030 6.284 1.00 0.00 H ATOM 1170 H SER A 114 4.325 -12.497 5.243 1.00 0.00 H ATOM 1171 N GLN A 115 1.816 -14.296 6.620 1.00 0.95 N ATOM 1172 CA GLN A 115 0.572 -14.691 7.273 1.00 0.98 C ATOM 1173 C GLN A 115 -0.551 -14.893 6.258 1.00 1.06 C ATOM 1174 O GLN A 115 -1.427 -15.738 6.445 1.00 1.76 O ATOM 1175 CB GLN A 115 0.158 -13.637 8.302 1.00 1.10 C ATOM 1176 CG GLN A 115 -0.579 -14.213 9.500 1.00 1.41 C ATOM 1177 CD GLN A 115 -2.017 -14.569 9.183 1.00 1.89 C ATOM 1178 OE1 GLN A 115 -2.565 -14.143 8.165 1.00 2.62 O ATOM 1179 NE2 GLN A 115 -2.640 -15.353 10.055 1.00 2.32 N ATOM 1180 HA GLN A 115 0.748 -15.641 7.778 1.00 0.00 H ATOM 1181 HB2 GLN A 115 1.056 -13.132 8.659 1.00 0.00 H ATOM 1182 HB3 GLN A 115 -0.493 -12.913 7.812 1.00 0.00 H ATOM 1183 HG2 GLN A 115 -0.061 -15.113 9.829 1.00 0.00 H ATOM 1184 HG3 GLN A 115 -0.570 -13.476 10.303 1.00 0.00 H ATOM 1185 HE22 GLN A 115 -2.139 -15.690 10.902 1.00 0.00 H ATOM 1186 HE21 GLN A 115 -3.629 -15.630 9.891 1.00 0.00 H ATOM 1187 H GLN A 115 2.136 -13.309 6.697 1.00 0.00 H ATOM 1188 N LEU A 116 -0.525 -14.100 5.194 1.00 0.83 N ATOM 1189 CA LEU A 116 -1.546 -14.172 4.153 1.00 0.90 C ATOM 1190 C LEU A 116 -1.716 -15.600 3.632 1.00 1.10 C ATOM 1191 O LEU A 116 -2.820 -16.004 3.268 1.00 1.81 O ATOM 1192 CB LEU A 116 -1.189 -13.202 3.011 1.00 1.04 C ATOM 1193 CG LEU A 116 -1.132 -13.792 1.594 1.00 0.93 C ATOM 1194 CD1 LEU A 116 -1.358 -12.700 0.560 1.00 1.53 C ATOM 1195 CD2 LEU A 116 0.203 -14.480 1.350 1.00 1.16 C ATOM 1196 HA LEU A 116 -2.502 -13.875 4.583 1.00 0.00 H ATOM 1197 HB2 LEU A 116 -1.935 -12.407 3.008 1.00 0.00 H ATOM 1198 HB3 LEU A 116 -0.209 -12.778 3.232 1.00 0.00 H ATOM 1199 HG LEU A 116 -1.923 -14.536 1.500 1.00 0.00 H ATOM 1200 HD21 LEU A 116 1.010 -13.756 1.463 1.00 0.00 H ATOM 1201 HD22 LEU A 116 0.333 -15.286 2.073 1.00 0.00 H ATOM 1202 HD23 LEU A 116 0.220 -14.890 0.340 1.00 0.00 H ATOM 1203 HD11 LEU A 116 -2.337 -12.248 0.719 1.00 0.00 H ATOM 1204 HD12 LEU A 116 -0.584 -11.939 0.662 1.00 0.00 H ATOM 1205 HD13 LEU A 116 -1.315 -13.133 -0.439 1.00 0.00 H ATOM 1206 H LEU A 116 0.245 -13.407 5.099 1.00 0.00 H ATOM 1207 N HIS A 117 -0.628 -16.359 3.586 1.00 1.32 N ATOM 1208 CA HIS A 117 -0.689 -17.732 3.095 1.00 1.60 C ATOM 1209 C HIS A 117 -1.180 -17.756 1.648 1.00 1.55 C ATOM 1210 O HIS A 117 -1.597 -16.730 1.110 1.00 2.28 O ATOM 1211 CB HIS A 117 -1.608 -18.577 3.978 1.00 2.02 C ATOM 1212 CG HIS A 117 -1.023 -19.904 4.351 1.00 2.47 C ATOM 1213 ND1 HIS A 117 -1.572 -21.107 3.959 1.00 3.13 N ATOM 1214 CD2 HIS A 117 0.074 -20.213 5.082 1.00 2.96 C ATOM 1215 CE1 HIS A 117 -0.838 -22.099 4.434 1.00 3.66 C ATOM 1216 NE2 HIS A 117 0.165 -21.582 5.118 1.00 3.55 N ATOM 1217 HA HIS A 117 0.314 -18.156 3.133 1.00 0.00 H ATOM 1218 HB2 HIS A 117 -1.815 -18.021 4.893 1.00 0.00 H ATOM 1219 HB3 HIS A 117 -2.540 -18.749 3.441 1.00 0.00 H ATOM 1220 HD2 HIS A 117 0.757 -19.507 5.554 1.00 0.00 H ATOM 1221 HE1 HIS A 117 -1.029 -23.162 4.286 1.00 0.00 H ATOM 1222 H HIS A 117 0.282 -15.969 3.905 1.00 0.00 H ATOM 1223 N LEU A 118 -1.129 -18.927 1.018 1.00 1.22 N ATOM 1224 CA LEU A 118 -1.569 -19.070 -0.369 1.00 1.17 C ATOM 1225 C LEU A 118 -2.810 -19.961 -0.464 1.00 1.21 C ATOM 1226 O LEU A 118 -2.827 -21.079 0.049 1.00 1.63 O ATOM 1227 CB LEU A 118 -0.442 -19.651 -1.225 1.00 1.37 C ATOM 1228 CG LEU A 118 0.122 -18.701 -2.283 1.00 1.38 C ATOM 1229 CD1 LEU A 118 -0.926 -18.393 -3.339 1.00 2.12 C ATOM 1230 CD2 LEU A 118 0.620 -17.417 -1.635 1.00 1.57 C ATOM 1231 HA LEU A 118 -1.829 -18.080 -0.744 1.00 0.00 H ATOM 1232 HB2 LEU A 118 0.373 -19.940 -0.561 1.00 0.00 H ATOM 1233 HB3 LEU A 118 -0.825 -20.535 -1.734 1.00 0.00 H ATOM 1234 HG LEU A 118 0.965 -19.191 -2.770 1.00 0.00 H ATOM 1235 HD21 LEU A 118 -0.207 -16.926 -1.122 1.00 0.00 H ATOM 1236 HD22 LEU A 118 1.405 -17.655 -0.917 1.00 0.00 H ATOM 1237 HD23 LEU A 118 1.017 -16.754 -2.404 1.00 0.00 H ATOM 1238 HD11 LEU A 118 -1.234 -19.319 -3.824 1.00 0.00 H ATOM 1239 HD12 LEU A 118 -1.789 -17.924 -2.867 1.00 0.00 H ATOM 1240 HD13 LEU A 118 -0.504 -17.716 -4.081 1.00 0.00 H ATOM 1241 H LEU A 118 -0.768 -19.760 1.524 1.00 0.00 H ATOM 1242 N THR A 119 -3.842 -19.449 -1.129 1.00 1.09 N ATOM 1243 CA THR A 119 -5.097 -20.180 -1.308 1.00 1.12 C ATOM 1244 C THR A 119 -6.101 -19.306 -2.062 1.00 1.04 C ATOM 1245 O THR A 119 -6.241 -18.126 -1.757 1.00 0.97 O ATOM 1246 CB THR A 119 -5.674 -20.593 0.047 1.00 1.21 C ATOM 1247 OG1 THR A 119 -5.155 -19.778 1.082 1.00 1.36 O ATOM 1248 CG2 THR A 119 -5.383 -22.034 0.407 1.00 1.53 C ATOM 1249 HA THR A 119 -4.899 -21.081 -1.888 1.00 0.00 H ATOM 1250 HB THR A 119 -6.753 -20.470 -0.049 1.00 0.00 H ATOM 1251 HG1 THR A 119 -4.170 -19.871 1.111 1.00 0.00 H ATOM 1252 HG23 THR A 119 -5.772 -22.688 -0.374 1.00 0.00 H ATOM 1253 HG21 THR A 119 -4.306 -22.174 0.497 1.00 0.00 H ATOM 1254 HG22 THR A 119 -5.862 -22.274 1.356 1.00 0.00 H ATOM 1255 H THR A 119 -3.754 -18.496 -1.536 1.00 0.00 H ATOM 1256 N PRO A 120 -6.804 -19.859 -3.068 1.00 1.20 N ATOM 1257 CA PRO A 120 -7.777 -19.096 -3.862 1.00 1.28 C ATOM 1258 C PRO A 120 -9.070 -18.800 -3.107 1.00 1.27 C ATOM 1259 O PRO A 120 -9.772 -17.837 -3.420 1.00 1.92 O ATOM 1260 CB PRO A 120 -8.056 -20.019 -5.048 1.00 1.58 C ATOM 1261 CG PRO A 120 -7.817 -21.390 -4.519 1.00 1.62 C ATOM 1262 CD PRO A 120 -6.699 -21.260 -3.521 1.00 1.44 C ATOM 1263 HA PRO A 120 -7.389 -18.115 -4.136 1.00 0.00 H ATOM 1264 HD3 PRO A 120 -6.837 -21.950 -2.689 1.00 0.00 H ATOM 1265 HD2 PRO A 120 -5.733 -21.447 -3.991 1.00 0.00 H ATOM 1266 HG3 PRO A 120 -7.528 -22.063 -5.326 1.00 0.00 H ATOM 1267 HG2 PRO A 120 -8.716 -21.771 -4.034 1.00 0.00 H ATOM 1268 HB2 PRO A 120 -9.086 -19.911 -5.387 1.00 0.00 H ATOM 1269 HB3 PRO A 120 -7.379 -19.801 -5.874 1.00 0.00 H ATOM 1270 N PHE A 121 -9.391 -19.633 -2.124 1.00 1.36 N ATOM 1271 CA PHE A 121 -10.612 -19.457 -1.343 1.00 1.44 C ATOM 1272 C PHE A 121 -10.451 -18.371 -0.279 1.00 1.29 C ATOM 1273 O PHE A 121 -11.240 -17.429 -0.215 1.00 2.03 O ATOM 1274 CB PHE A 121 -11.010 -20.777 -0.681 1.00 1.70 C ATOM 1275 CG PHE A 121 -11.830 -21.670 -1.569 1.00 2.24 C ATOM 1276 CD1 PHE A 121 -13.202 -21.509 -1.659 1.00 2.75 C ATOM 1277 CD2 PHE A 121 -11.226 -22.670 -2.315 1.00 2.98 C ATOM 1278 CE1 PHE A 121 -13.959 -22.328 -2.475 1.00 3.54 C ATOM 1279 CE2 PHE A 121 -11.977 -23.492 -3.133 1.00 3.79 C ATOM 1280 CZ PHE A 121 -13.345 -23.321 -3.213 1.00 3.94 C ATOM 1281 HA PHE A 121 -11.399 -19.142 -2.029 1.00 0.00 H ATOM 1282 HB2 PHE A 121 -10.102 -21.310 -0.400 1.00 0.00 H ATOM 1283 HB3 PHE A 121 -11.590 -20.553 0.214 1.00 0.00 H ATOM 1284 HD2 PHE A 121 -10.147 -22.809 -2.256 1.00 0.00 H ATOM 1285 HE2 PHE A 121 -11.490 -24.275 -3.715 1.00 0.00 H ATOM 1286 HZ PHE A 121 -13.939 -23.969 -3.858 1.00 0.00 H ATOM 1287 HE1 PHE A 121 -15.039 -22.191 -2.536 1.00 0.00 H ATOM 1288 HD1 PHE A 121 -13.691 -20.726 -1.079 1.00 0.00 H ATOM 1289 H PHE A 121 -8.758 -20.429 -1.905 1.00 0.00 H ATOM 1290 N THR A 122 -9.437 -18.524 0.564 1.00 1.23 N ATOM 1291 CA THR A 122 -9.176 -17.575 1.645 1.00 1.25 C ATOM 1292 C THR A 122 -8.542 -16.277 1.147 1.00 0.99 C ATOM 1293 O THR A 122 -8.670 -15.236 1.790 1.00 1.05 O ATOM 1294 CB THR A 122 -8.272 -18.217 2.697 1.00 1.59 C ATOM 1295 OG1 THR A 122 -8.394 -19.628 2.672 1.00 1.93 O ATOM 1296 CG2 THR A 122 -8.573 -17.755 4.107 1.00 2.37 C ATOM 1297 HA THR A 122 -10.140 -17.319 2.084 1.00 0.00 H ATOM 1298 HB THR A 122 -7.261 -17.904 2.437 1.00 0.00 H ATOM 1299 HG1 THR A 122 -7.801 -20.022 3.360 1.00 0.00 H ATOM 1300 HG23 THR A 122 -8.487 -16.670 4.158 1.00 0.00 H ATOM 1301 HG21 THR A 122 -9.586 -18.054 4.377 1.00 0.00 H ATOM 1302 HG22 THR A 122 -7.862 -18.210 4.797 1.00 0.00 H ATOM 1303 H THR A 122 -8.808 -19.345 0.452 1.00 0.00 H ATOM 1304 N ALA A 123 -7.845 -16.346 0.019 1.00 0.93 N ATOM 1305 CA ALA A 123 -7.171 -15.173 -0.537 1.00 0.74 C ATOM 1306 C ALA A 123 -8.082 -13.949 -0.555 1.00 0.52 C ATOM 1307 O ALA A 123 -7.702 -12.875 -0.094 1.00 0.53 O ATOM 1308 CB ALA A 123 -6.696 -15.466 -1.952 1.00 0.81 C ATOM 1309 HA ALA A 123 -6.318 -14.953 0.106 1.00 0.00 H ATOM 1310 HB1 ALA A 123 -6.000 -16.305 -1.934 1.00 0.00 H ATOM 1311 HB2 ALA A 123 -7.553 -15.717 -2.577 1.00 0.00 H ATOM 1312 HB3 ALA A 123 -6.196 -14.586 -2.356 1.00 0.00 H ATOM 1313 H ALA A 123 -7.777 -17.255 -0.481 1.00 0.00 H ATOM 1314 N ARG A 124 -9.282 -14.109 -1.098 1.00 0.48 N ATOM 1315 CA ARG A 124 -10.232 -13.005 -1.174 1.00 0.39 C ATOM 1316 C ARG A 124 -10.585 -12.491 0.220 1.00 0.35 C ATOM 1317 O ARG A 124 -10.553 -11.287 0.475 1.00 0.33 O ATOM 1318 CB ARG A 124 -11.502 -13.445 -1.904 1.00 0.58 C ATOM 1319 CG ARG A 124 -12.782 -12.964 -1.241 1.00 0.85 C ATOM 1320 CD ARG A 124 -14.007 -13.334 -2.059 1.00 0.91 C ATOM 1321 NE ARG A 124 -15.250 -12.970 -1.381 1.00 1.52 N ATOM 1322 CZ ARG A 124 -15.738 -11.731 -1.340 1.00 1.95 C ATOM 1323 NH1 ARG A 124 -15.095 -10.733 -1.936 1.00 2.38 N ATOM 1324 NH2 ARG A 124 -16.874 -11.490 -0.701 1.00 2.56 N ATOM 1325 HA ARG A 124 -9.763 -12.195 -1.732 1.00 0.00 H ATOM 1326 HB2 ARG A 124 -11.470 -13.051 -2.920 1.00 0.00 H ATOM 1327 HB3 ARG A 124 -11.520 -14.534 -1.939 1.00 0.00 H ATOM 1328 HG2 ARG A 124 -12.863 -13.421 -0.255 1.00 0.00 H ATOM 1329 HG3 ARG A 124 -12.741 -11.880 -1.136 1.00 0.00 H ATOM 1330 HD2 ARG A 124 -14.003 -14.410 -2.232 1.00 0.00 H ATOM 1331 HD3 ARG A 124 -13.962 -12.813 -3.015 1.00 0.00 H ATOM 1332 HE ARG A 124 -15.785 -13.723 -0.902 1.00 0.00 H ATOM 1333 HH12 ARG A 124 -15.483 -9.769 -1.899 1.00 0.00 H ATOM 1334 HH11 ARG A 124 -14.204 -10.916 -2.440 1.00 0.00 H ATOM 1335 HH22 ARG A 124 -17.257 -10.524 -0.668 1.00 0.00 H ATOM 1336 HH21 ARG A 124 -17.382 -12.267 -0.233 1.00 0.00 H ATOM 1337 H ARG A 124 -9.550 -15.040 -1.477 1.00 0.00 H ATOM 1338 N GLY A 125 -10.922 -13.413 1.119 1.00 0.42 N ATOM 1339 CA GLY A 125 -11.277 -13.034 2.475 1.00 0.43 C ATOM 1340 C GLY A 125 -10.105 -12.454 3.243 1.00 0.41 C ATOM 1341 O GLY A 125 -10.291 -11.592 4.102 1.00 0.45 O ATOM 1342 HA3 GLY A 125 -11.637 -13.917 3.002 1.00 0.00 H ATOM 1343 HA2 GLY A 125 -12.071 -12.288 2.433 1.00 0.00 H ATOM 1344 H GLY A 125 -10.931 -14.417 0.847 1.00 0.00 H ATOM 1345 N ARG A 126 -8.893 -12.929 2.950 1.00 0.39 N ATOM 1346 CA ARG A 126 -7.711 -12.436 3.649 1.00 0.42 C ATOM 1347 C ARG A 126 -7.282 -11.055 3.165 1.00 0.39 C ATOM 1348 O ARG A 126 -6.629 -10.320 3.900 1.00 0.46 O ATOM 1349 CB ARG A 126 -6.546 -13.421 3.574 1.00 0.47 C ATOM 1350 CG ARG A 126 -6.042 -13.669 2.176 1.00 0.86 C ATOM 1351 CD ARG A 126 -4.547 -13.939 2.166 1.00 0.90 C ATOM 1352 NE ARG A 126 -4.172 -14.923 1.151 1.00 1.55 N ATOM 1353 CZ ARG A 126 -3.860 -14.619 -0.110 1.00 2.11 C ATOM 1354 NH1 ARG A 126 -3.928 -13.366 -0.544 1.00 2.48 N ATOM 1355 NH2 ARG A 126 -3.495 -15.581 -0.948 1.00 2.96 N ATOM 1356 HA ARG A 126 -8.000 -12.341 4.696 1.00 0.00 H ATOM 1357 HB2 ARG A 126 -5.724 -13.026 4.170 1.00 0.00 H ATOM 1358 HB3 ARG A 126 -6.873 -14.372 3.994 1.00 0.00 H ATOM 1359 HG2 ARG A 126 -6.561 -14.532 1.759 1.00 0.00 H ATOM 1360 HG3 ARG A 126 -6.248 -12.791 1.563 1.00 0.00 H ATOM 1361 HD2 ARG A 126 -4.251 -14.314 3.146 1.00 0.00 H ATOM 1362 HD3 ARG A 126 -4.022 -13.006 1.962 1.00 0.00 H ATOM 1363 HE ARG A 126 -4.147 -15.924 1.430 1.00 0.00 H ATOM 1364 HH12 ARG A 126 -3.682 -13.143 -1.530 1.00 0.00 H ATOM 1365 HH11 ARG A 126 -4.227 -12.608 0.102 1.00 0.00 H ATOM 1366 HH22 ARG A 126 -3.251 -15.349 -1.932 1.00 0.00 H ATOM 1367 HH21 ARG A 126 -3.453 -16.567 -0.621 1.00 0.00 H ATOM 1368 H ARG A 126 -8.790 -13.658 2.216 1.00 0.00 H ATOM 1369 N PHE A 127 -7.653 -10.700 1.942 1.00 0.39 N ATOM 1370 CA PHE A 127 -7.295 -9.394 1.396 1.00 0.38 C ATOM 1371 C PHE A 127 -7.985 -8.271 2.168 1.00 0.33 C ATOM 1372 O PHE A 127 -7.337 -7.339 2.638 1.00 0.33 O ATOM 1373 CB PHE A 127 -7.677 -9.313 -0.084 1.00 0.40 C ATOM 1374 CG PHE A 127 -8.481 -8.091 -0.427 1.00 0.36 C ATOM 1375 CD1 PHE A 127 -7.854 -6.883 -0.685 1.00 1.08 C ATOM 1376 CD2 PHE A 127 -9.864 -8.150 -0.484 1.00 1.15 C ATOM 1377 CE1 PHE A 127 -8.592 -5.756 -0.996 1.00 1.09 C ATOM 1378 CE2 PHE A 127 -10.608 -7.027 -0.794 1.00 1.13 C ATOM 1379 CZ PHE A 127 -9.970 -5.829 -1.049 1.00 0.33 C ATOM 1380 HA PHE A 127 -6.216 -9.273 1.496 1.00 0.00 H ATOM 1381 HB2 PHE A 127 -6.763 -9.303 -0.677 1.00 0.00 H ATOM 1382 HB3 PHE A 127 -8.264 -10.196 -0.338 1.00 0.00 H ATOM 1383 HD2 PHE A 127 -10.371 -9.093 -0.282 1.00 0.00 H ATOM 1384 HE2 PHE A 127 -11.696 -7.087 -0.837 1.00 0.00 H ATOM 1385 HZ PHE A 127 -10.554 -4.941 -1.292 1.00 0.00 H ATOM 1386 HE1 PHE A 127 -8.087 -4.812 -1.199 1.00 0.00 H ATOM 1387 HD1 PHE A 127 -6.767 -6.820 -0.642 1.00 0.00 H ATOM 1388 H PHE A 127 -8.208 -11.362 1.363 1.00 0.00 H ATOM 1389 N ALA A 128 -9.304 -8.363 2.286 1.00 0.33 N ATOM 1390 CA ALA A 128 -10.083 -7.351 2.991 1.00 0.32 C ATOM 1391 C ALA A 128 -9.501 -7.056 4.370 1.00 0.31 C ATOM 1392 O ALA A 128 -9.284 -5.899 4.730 1.00 0.32 O ATOM 1393 CB ALA A 128 -11.533 -7.795 3.114 1.00 0.37 C ATOM 1394 HA ALA A 128 -10.039 -6.431 2.408 1.00 0.00 H ATOM 1395 HB1 ALA A 128 -11.953 -7.940 2.119 1.00 0.00 H ATOM 1396 HB2 ALA A 128 -11.579 -8.732 3.669 1.00 0.00 H ATOM 1397 HB3 ALA A 128 -12.102 -7.030 3.642 1.00 0.00 H ATOM 1398 H ALA A 128 -9.795 -9.178 1.865 1.00 0.00 H ATOM 1399 N THR A 129 -9.264 -8.110 5.142 1.00 0.33 N ATOM 1400 CA THR A 129 -8.723 -7.972 6.490 1.00 0.35 C ATOM 1401 C THR A 129 -7.442 -7.144 6.513 1.00 0.35 C ATOM 1402 O THR A 129 -7.145 -6.486 7.508 1.00 0.41 O ATOM 1403 CB THR A 129 -8.455 -9.352 7.093 1.00 0.41 C ATOM 1404 OG1 THR A 129 -9.340 -10.317 6.550 1.00 0.51 O ATOM 1405 CG2 THR A 129 -8.605 -9.388 8.598 1.00 0.50 C ATOM 1406 HA THR A 129 -9.469 -7.446 7.086 1.00 0.00 H ATOM 1407 HB THR A 129 -7.419 -9.580 6.842 1.00 0.00 H ATOM 1408 HG1 THR A 129 -9.212 -10.366 5.569 1.00 0.00 H ATOM 1409 HG23 THR A 129 -7.935 -8.654 9.046 1.00 0.00 H ATOM 1410 HG21 THR A 129 -9.635 -9.152 8.865 1.00 0.00 H ATOM 1411 HG22 THR A 129 -8.353 -10.383 8.963 1.00 0.00 H ATOM 1412 H THR A 129 -9.470 -9.061 4.775 1.00 0.00 H ATOM 1413 N VAL A 130 -6.674 -7.183 5.426 1.00 0.33 N ATOM 1414 CA VAL A 130 -5.426 -6.429 5.376 1.00 0.34 C ATOM 1415 C VAL A 130 -5.664 -4.947 5.098 1.00 0.30 C ATOM 1416 O VAL A 130 -5.045 -4.087 5.725 1.00 0.30 O ATOM 1417 CB VAL A 130 -4.421 -6.987 4.339 1.00 0.36 C ATOM 1418 CG1 VAL A 130 -4.657 -8.465 4.088 1.00 0.39 C ATOM 1419 CG2 VAL A 130 -4.475 -6.200 3.036 1.00 0.47 C ATOM 1420 HA VAL A 130 -4.987 -6.542 6.367 1.00 0.00 H ATOM 1421 HB VAL A 130 -3.421 -6.872 4.757 1.00 0.00 H ATOM 1422 HG11 VAL A 130 -4.536 -9.015 5.022 1.00 0.00 H ATOM 1423 HG12 VAL A 130 -5.668 -8.611 3.707 1.00 0.00 H ATOM 1424 HG13 VAL A 130 -3.936 -8.828 3.355 1.00 0.00 H ATOM 1425 HG21 VAL A 130 -5.479 -6.264 2.616 1.00 0.00 H ATOM 1426 HG22 VAL A 130 -4.228 -5.157 3.233 1.00 0.00 H ATOM 1427 HG23 VAL A 130 -3.757 -6.618 2.330 1.00 0.00 H ATOM 1428 H VAL A 130 -6.966 -7.755 4.608 1.00 0.00 H ATOM 1429 N VAL A 131 -6.563 -4.647 4.169 1.00 0.29 N ATOM 1430 CA VAL A 131 -6.870 -3.262 3.835 1.00 0.28 C ATOM 1431 C VAL A 131 -7.703 -2.625 4.942 1.00 0.28 C ATOM 1432 O VAL A 131 -7.592 -1.428 5.209 1.00 0.33 O ATOM 1433 CB VAL A 131 -7.636 -3.158 2.503 1.00 0.28 C ATOM 1434 CG1 VAL A 131 -8.822 -4.109 2.494 1.00 0.31 C ATOM 1435 CG2 VAL A 131 -8.089 -1.727 2.256 1.00 0.36 C ATOM 1436 HA VAL A 131 -5.922 -2.733 3.732 1.00 0.00 H ATOM 1437 HB VAL A 131 -6.963 -3.445 1.695 1.00 0.00 H ATOM 1438 HG11 VAL A 131 -8.467 -5.132 2.620 1.00 0.00 H ATOM 1439 HG12 VAL A 131 -9.497 -3.854 3.311 1.00 0.00 H ATOM 1440 HG13 VAL A 131 -9.350 -4.020 1.545 1.00 0.00 H ATOM 1441 HG21 VAL A 131 -8.745 -1.410 3.067 1.00 0.00 H ATOM 1442 HG22 VAL A 131 -7.218 -1.073 2.215 1.00 0.00 H ATOM 1443 HG23 VAL A 131 -8.628 -1.676 1.310 1.00 0.00 H ATOM 1444 H VAL A 131 -7.057 -5.414 3.670 1.00 0.00 H ATOM 1445 N GLU A 132 -8.537 -3.440 5.584 1.00 0.27 N ATOM 1446 CA GLU A 132 -9.393 -2.969 6.667 1.00 0.27 C ATOM 1447 C GLU A 132 -8.562 -2.365 7.796 1.00 0.29 C ATOM 1448 O GLU A 132 -8.950 -1.364 8.396 1.00 0.30 O ATOM 1449 CB GLU A 132 -10.249 -4.116 7.208 1.00 0.29 C ATOM 1450 CG GLU A 132 -11.684 -3.716 7.506 1.00 0.70 C ATOM 1451 CD GLU A 132 -11.787 -2.335 8.125 1.00 1.25 C ATOM 1452 OE1 GLU A 132 -11.235 -2.135 9.227 1.00 2.03 O ATOM 1453 OE2 GLU A 132 -12.421 -1.454 7.507 1.00 1.92 O ATOM 1454 HA GLU A 132 -10.047 -2.195 6.266 1.00 0.00 H ATOM 1455 HB2 GLU A 132 -10.261 -4.916 6.468 1.00 0.00 H ATOM 1456 HB3 GLU A 132 -9.794 -4.481 8.129 1.00 0.00 H ATOM 1457 HG2 GLU A 132 -12.250 -3.725 6.574 1.00 0.00 H ATOM 1458 HG3 GLU A 132 -12.113 -4.442 8.197 1.00 0.00 H ATOM 1459 H GLU A 132 -8.579 -4.441 5.305 1.00 0.00 H ATOM 1460 N GLU A 133 -7.421 -2.982 8.079 1.00 0.30 N ATOM 1461 CA GLU A 133 -6.539 -2.506 9.138 1.00 0.33 C ATOM 1462 C GLU A 133 -5.775 -1.261 8.699 1.00 0.32 C ATOM 1463 O GLU A 133 -5.399 -0.432 9.527 1.00 0.34 O ATOM 1464 CB GLU A 133 -5.557 -3.604 9.550 1.00 0.38 C ATOM 1465 CG GLU A 133 -4.627 -4.042 8.431 1.00 0.83 C ATOM 1466 CD GLU A 133 -3.315 -4.601 8.946 1.00 1.49 C ATOM 1467 OE1 GLU A 133 -2.819 -4.098 9.976 1.00 2.29 O ATOM 1468 OE2 GLU A 133 -2.785 -5.543 8.320 1.00 2.07 O ATOM 1469 HA GLU A 133 -7.158 -2.243 9.996 1.00 0.00 H ATOM 1470 HB2 GLU A 133 -4.951 -3.232 10.376 1.00 0.00 H ATOM 1471 HB3 GLU A 133 -6.129 -4.471 9.882 1.00 0.00 H ATOM 1472 HG2 GLU A 133 -5.127 -4.811 7.842 1.00 0.00 H ATOM 1473 HG3 GLU A 133 -4.415 -3.181 7.797 1.00 0.00 H ATOM 1474 H GLU A 133 -7.150 -3.824 7.533 1.00 0.00 H ATOM 1475 N LEU A 134 -5.544 -1.129 7.395 1.00 0.32 N ATOM 1476 CA LEU A 134 -4.822 0.024 6.872 1.00 0.33 C ATOM 1477 C LEU A 134 -5.581 1.314 7.180 1.00 0.33 C ATOM 1478 O LEU A 134 -5.010 2.281 7.681 1.00 0.39 O ATOM 1479 CB LEU A 134 -4.618 -0.117 5.362 1.00 0.32 C ATOM 1480 CG LEU A 134 -3.161 -0.082 4.899 1.00 0.34 C ATOM 1481 CD1 LEU A 134 -2.469 1.173 5.411 1.00 0.59 C ATOM 1482 CD2 LEU A 134 -2.424 -1.327 5.368 1.00 0.39 C ATOM 1483 HA LEU A 134 -3.847 0.068 7.356 1.00 0.00 H ATOM 1484 HB2 LEU A 134 -5.049 -1.068 5.050 1.00 0.00 H ATOM 1485 HB3 LEU A 134 -5.148 0.699 4.871 1.00 0.00 H ATOM 1486 HG LEU A 134 -3.145 -0.063 3.809 1.00 0.00 H ATOM 1487 HD21 LEU A 134 -2.450 -1.374 6.457 1.00 0.00 H ATOM 1488 HD22 LEU A 134 -2.907 -2.212 4.953 1.00 0.00 H ATOM 1489 HD23 LEU A 134 -1.389 -1.284 5.029 1.00 0.00 H ATOM 1490 HD11 LEU A 134 -2.985 2.053 5.027 1.00 0.00 H ATOM 1491 HD12 LEU A 134 -2.495 1.182 6.501 1.00 0.00 H ATOM 1492 HD13 LEU A 134 -1.433 1.180 5.071 1.00 0.00 H ATOM 1493 H LEU A 134 -5.884 -1.860 6.739 1.00 0.00 H ATOM 1494 N PHE A 135 -6.882 1.293 6.918 1.00 0.30 N ATOM 1495 CA PHE A 135 -7.756 2.425 7.207 1.00 0.33 C ATOM 1496 C PHE A 135 -8.706 1.978 8.324 1.00 0.39 C ATOM 1497 O PHE A 135 -9.790 1.451 8.071 1.00 0.52 O ATOM 1498 CB PHE A 135 -8.545 2.846 5.961 1.00 0.30 C ATOM 1499 CG PHE A 135 -9.921 3.368 6.270 1.00 0.28 C ATOM 1500 CD1 PHE A 135 -10.084 4.587 6.901 1.00 1.05 C ATOM 1501 CD2 PHE A 135 -11.049 2.629 5.947 1.00 0.94 C ATOM 1502 CE1 PHE A 135 -11.344 5.066 7.202 1.00 1.07 C ATOM 1503 CE2 PHE A 135 -12.312 3.103 6.244 1.00 0.94 C ATOM 1504 CZ PHE A 135 -12.460 4.324 6.872 1.00 0.33 C ATOM 1505 HA PHE A 135 -7.171 3.292 7.515 1.00 0.00 H ATOM 1506 HB2 PHE A 135 -7.987 3.628 5.447 1.00 0.00 H ATOM 1507 HB3 PHE A 135 -8.643 1.980 5.306 1.00 0.00 H ATOM 1508 HD2 PHE A 135 -10.938 1.664 5.453 1.00 0.00 H ATOM 1509 HE2 PHE A 135 -13.191 2.514 5.983 1.00 0.00 H ATOM 1510 HZ PHE A 135 -13.456 4.701 7.106 1.00 0.00 H ATOM 1511 HE1 PHE A 135 -11.457 6.029 7.700 1.00 0.00 H ATOM 1512 HD1 PHE A 135 -9.207 5.178 7.164 1.00 0.00 H ATOM 1513 H PHE A 135 -7.293 0.439 6.491 1.00 0.00 H ATOM 1514 N ARG A 136 -8.271 2.135 9.563 1.00 0.48 N ATOM 1515 CA ARG A 136 -9.076 1.708 10.700 1.00 0.57 C ATOM 1516 C ARG A 136 -9.767 2.904 11.347 1.00 0.61 C ATOM 1517 O ARG A 136 -10.892 2.797 11.834 1.00 1.24 O ATOM 1518 CB ARG A 136 -8.205 0.986 11.730 1.00 0.80 C ATOM 1519 CG ARG A 136 -8.707 -0.404 12.083 1.00 0.99 C ATOM 1520 CD ARG A 136 -8.862 -0.577 13.585 1.00 1.51 C ATOM 1521 NE ARG A 136 -7.713 -0.049 14.318 1.00 2.05 N ATOM 1522 CZ ARG A 136 -6.510 -0.620 14.327 1.00 2.95 C ATOM 1523 NH1 ARG A 136 -6.289 -1.739 13.645 1.00 3.61 N ATOM 1524 NH2 ARG A 136 -5.523 -0.070 15.019 1.00 3.54 N ATOM 1525 HA ARG A 136 -9.838 1.018 10.339 1.00 0.00 H ATOM 1526 HB2 ARG A 136 -7.196 0.896 11.327 1.00 0.00 H ATOM 1527 HB3 ARG A 136 -8.179 1.585 12.640 1.00 0.00 H ATOM 1528 HG2 ARG A 136 -9.674 -0.563 11.606 1.00 0.00 H ATOM 1529 HG3 ARG A 136 -7.995 -1.142 11.713 1.00 0.00 H ATOM 1530 HD2 ARG A 136 -8.965 -1.639 13.809 1.00 0.00 H ATOM 1531 HD3 ARG A 136 -9.759 -0.050 13.910 1.00 0.00 H ATOM 1532 HE ARG A 136 -7.843 0.826 14.866 1.00 0.00 H ATOM 1533 HH12 ARG A 136 -5.346 -2.178 13.658 1.00 0.00 H ATOM 1534 HH11 ARG A 136 -7.059 -2.176 13.099 1.00 0.00 H ATOM 1535 HH22 ARG A 136 -4.583 -0.515 15.027 1.00 0.00 H ATOM 1536 HH21 ARG A 136 -5.688 0.806 15.554 1.00 0.00 H ATOM 1537 H ARG A 136 -7.341 2.570 9.728 1.00 0.00 H ATOM 1538 N ASP A 137 -9.083 4.045 11.343 1.00 0.79 N ATOM 1539 CA ASP A 137 -9.628 5.268 11.922 1.00 0.81 C ATOM 1540 C ASP A 137 -10.038 6.245 10.824 1.00 0.53 C ATOM 1541 O ASP A 137 -11.210 6.603 10.701 1.00 1.24 O ATOM 1542 CB ASP A 137 -8.601 5.922 12.848 1.00 1.28 C ATOM 1543 CG ASP A 137 -8.733 7.432 12.886 1.00 2.16 C ATOM 1544 OD1 ASP A 137 -9.635 7.931 13.592 1.00 2.84 O ATOM 1545 OD2 ASP A 137 -7.937 8.115 12.209 1.00 2.84 O ATOM 1546 HA ASP A 137 -10.512 5.007 12.504 1.00 0.00 H ATOM 1547 HB2 ASP A 137 -8.741 5.533 13.856 1.00 0.00 H ATOM 1548 HB3 ASP A 137 -7.601 5.667 12.497 1.00 0.00 H ATOM 1549 H ASP A 137 -8.135 4.066 10.916 1.00 0.00 H ATOM 1550 N GLY A 138 -9.062 6.665 10.028 1.00 0.66 N ATOM 1551 CA GLY A 138 -9.327 7.590 8.941 1.00 0.50 C ATOM 1552 C GLY A 138 -8.377 7.380 7.780 1.00 0.48 C ATOM 1553 O GLY A 138 -7.321 6.768 7.943 1.00 0.67 O ATOM 1554 HA3 GLY A 138 -9.214 8.610 9.310 1.00 0.00 H ATOM 1555 HA2 GLY A 138 -10.349 7.442 8.592 1.00 0.00 H ATOM 1556 H GLY A 138 -8.092 6.326 10.186 1.00 0.00 H ATOM 1557 N VAL A 139 -8.755 7.860 6.602 1.00 0.38 N ATOM 1558 CA VAL A 139 -7.927 7.688 5.415 1.00 0.35 C ATOM 1559 C VAL A 139 -7.043 8.901 5.144 1.00 0.33 C ATOM 1560 O VAL A 139 -7.275 9.989 5.671 1.00 0.34 O ATOM 1561 CB VAL A 139 -8.790 7.401 4.170 1.00 0.35 C ATOM 1562 CG1 VAL A 139 -8.771 8.582 3.210 1.00 0.35 C ATOM 1563 CG2 VAL A 139 -8.316 6.135 3.475 1.00 0.36 C ATOM 1564 HA VAL A 139 -7.282 6.833 5.616 1.00 0.00 H ATOM 1565 HB VAL A 139 -9.819 7.251 4.496 1.00 0.00 H ATOM 1566 HG11 VAL A 139 -9.165 9.465 3.714 1.00 0.00 H ATOM 1567 HG12 VAL A 139 -7.747 8.772 2.890 1.00 0.00 H ATOM 1568 HG13 VAL A 139 -9.388 8.352 2.341 1.00 0.00 H ATOM 1569 HG21 VAL A 139 -7.278 6.258 3.167 1.00 0.00 H ATOM 1570 HG22 VAL A 139 -8.394 5.293 4.163 1.00 0.00 H ATOM 1571 HG23 VAL A 139 -8.937 5.949 2.599 1.00 0.00 H ATOM 1572 H VAL A 139 -9.659 8.368 6.524 1.00 0.00 H ATOM 1573 N ASN A 140 -6.025 8.695 4.310 1.00 0.31 N ATOM 1574 CA ASN A 140 -5.092 9.758 3.949 1.00 0.32 C ATOM 1575 C ASN A 140 -4.213 9.332 2.778 1.00 0.28 C ATOM 1576 O ASN A 140 -4.116 8.146 2.463 1.00 0.34 O ATOM 1577 CB ASN A 140 -4.219 10.129 5.150 1.00 0.36 C ATOM 1578 CG ASN A 140 -4.661 11.420 5.809 1.00 1.39 C ATOM 1579 OD1 ASN A 140 -5.493 11.414 6.715 1.00 2.37 O ATOM 1580 ND2 ASN A 140 -4.104 12.537 5.355 1.00 1.89 N ATOM 1581 HA ASN A 140 -5.671 10.631 3.648 1.00 0.00 H ATOM 1582 HB2 ASN A 140 -4.273 9.325 5.884 1.00 0.00 H ATOM 1583 HB3 ASN A 140 -3.189 10.243 4.812 1.00 0.00 H ATOM 1584 HD22 ASN A 140 -3.404 12.494 4.587 1.00 0.00 H ATOM 1585 HD21 ASN A 140 -4.367 13.454 5.768 1.00 0.00 H ATOM 1586 H ASN A 140 -5.891 7.747 3.903 1.00 0.00 H ATOM 1587 N TRP A 141 -3.574 10.305 2.138 1.00 0.30 N ATOM 1588 CA TRP A 141 -2.700 10.021 1.003 1.00 0.28 C ATOM 1589 C TRP A 141 -1.702 8.928 1.362 1.00 0.27 C ATOM 1590 O TRP A 141 -1.503 7.983 0.603 1.00 0.27 O ATOM 1591 CB TRP A 141 -1.945 11.278 0.562 1.00 0.32 C ATOM 1592 CG TRP A 141 -2.790 12.515 0.533 1.00 0.28 C ATOM 1593 CD1 TRP A 141 -2.581 13.661 1.243 1.00 0.30 C ATOM 1594 CD2 TRP A 141 -3.972 12.732 -0.245 1.00 0.24 C ATOM 1595 NE1 TRP A 141 -3.564 14.578 0.958 1.00 0.28 N ATOM 1596 CE2 TRP A 141 -4.429 14.032 0.046 1.00 0.25 C ATOM 1597 CE3 TRP A 141 -4.690 11.955 -1.158 1.00 0.24 C ATOM 1598 CZ2 TRP A 141 -5.570 14.570 -0.544 1.00 0.27 C ATOM 1599 CZ3 TRP A 141 -5.822 12.490 -1.744 1.00 0.27 C ATOM 1600 CH2 TRP A 141 -6.252 13.787 -1.434 1.00 0.28 C ATOM 1601 HA TRP A 141 -3.326 9.682 0.178 1.00 0.00 H ATOM 1602 HB2 TRP A 141 -1.119 11.443 1.253 1.00 0.00 H ATOM 1603 HB3 TRP A 141 -1.550 11.108 -0.440 1.00 0.00 H ATOM 1604 HE1 TRP A 141 -3.639 15.531 1.368 1.00 0.00 H ATOM 1605 HD1 TRP A 141 -1.755 13.825 1.935 1.00 0.00 H ATOM 1606 HZ2 TRP A 141 -5.907 15.579 -0.305 1.00 0.00 H ATOM 1607 HH2 TRP A 141 -7.149 14.180 -1.912 1.00 0.00 H ATOM 1608 HZ3 TRP A 141 -6.389 11.893 -2.459 1.00 0.00 H ATOM 1609 HE3 TRP A 141 -4.363 10.945 -1.404 1.00 0.00 H ATOM 1610 H TRP A 141 -3.699 11.289 2.452 1.00 0.00 H ATOM 1611 N GLY A 142 -1.078 9.070 2.529 1.00 0.30 N ATOM 1612 CA GLY A 142 -0.100 8.097 2.980 1.00 0.34 C ATOM 1613 C GLY A 142 -0.692 6.711 3.166 1.00 0.31 C ATOM 1614 O GLY A 142 -0.019 5.707 2.938 1.00 0.30 O ATOM 1615 HA3 GLY A 142 0.311 8.431 3.933 1.00 0.00 H ATOM 1616 HA2 GLY A 142 0.700 8.038 2.242 1.00 0.00 H ATOM 1617 H GLY A 142 -1.295 9.892 3.128 1.00 0.00 H ATOM 1618 N ARG A 143 -1.950 6.654 3.581 1.00 0.30 N ATOM 1619 CA ARG A 143 -2.623 5.378 3.783 1.00 0.27 C ATOM 1620 C ARG A 143 -3.039 4.773 2.446 1.00 0.23 C ATOM 1621 O ARG A 143 -2.825 3.588 2.199 1.00 0.23 O ATOM 1622 CB ARG A 143 -3.824 5.559 4.705 1.00 0.29 C ATOM 1623 CG ARG A 143 -3.901 4.519 5.807 1.00 0.46 C ATOM 1624 CD ARG A 143 -2.643 4.527 6.663 1.00 0.49 C ATOM 1625 NE ARG A 143 -2.951 4.598 8.088 1.00 1.19 N ATOM 1626 CZ ARG A 143 -3.322 5.713 8.715 1.00 1.31 C ATOM 1627 NH1 ARG A 143 -3.429 6.858 8.050 1.00 1.55 N ATOM 1628 NH2 ARG A 143 -3.585 5.685 10.015 1.00 2.00 N ATOM 1629 HA ARG A 143 -1.929 4.685 4.259 1.00 0.00 H ATOM 1630 HB2 ARG A 143 -3.761 6.545 5.164 1.00 0.00 H ATOM 1631 HB3 ARG A 143 -4.732 5.496 4.106 1.00 0.00 H ATOM 1632 HG2 ARG A 143 -4.762 4.734 6.439 1.00 0.00 H ATOM 1633 HG3 ARG A 143 -4.019 3.533 5.358 1.00 0.00 H ATOM 1634 HD2 ARG A 143 -2.037 5.391 6.390 1.00 0.00 H ATOM 1635 HD3 ARG A 143 -2.080 3.614 6.470 1.00 0.00 H ATOM 1636 HE ARG A 143 -2.876 3.725 8.648 1.00 0.00 H ATOM 1637 HH12 ARG A 143 -3.719 7.724 8.548 1.00 0.00 H ATOM 1638 HH11 ARG A 143 -3.222 6.889 7.031 1.00 0.00 H ATOM 1639 HH22 ARG A 143 -3.875 6.555 10.506 1.00 0.00 H ATOM 1640 HH21 ARG A 143 -3.501 4.793 10.543 1.00 0.00 H ATOM 1641 H ARG A 143 -2.466 7.538 3.766 1.00 0.00 H ATOM 1642 N ILE A 144 -3.615 5.602 1.575 1.00 0.23 N ATOM 1643 CA ILE A 144 -4.030 5.140 0.258 1.00 0.23 C ATOM 1644 C ILE A 144 -2.854 4.449 -0.421 1.00 0.24 C ATOM 1645 O ILE A 144 -2.948 3.294 -0.835 1.00 0.29 O ATOM 1646 CB ILE A 144 -4.517 6.302 -0.628 1.00 0.26 C ATOM 1647 CG1 ILE A 144 -5.893 6.784 -0.166 1.00 0.31 C ATOM 1648 CG2 ILE A 144 -4.562 5.872 -2.088 1.00 0.31 C ATOM 1649 CD1 ILE A 144 -5.959 8.273 0.088 1.00 0.28 C ATOM 1650 HA ILE A 144 -4.861 4.447 0.389 1.00 0.00 H ATOM 1651 HB ILE A 144 -3.814 7.130 -0.534 1.00 0.00 H ATOM 1652 HG12 ILE A 144 -6.623 6.533 -0.936 1.00 0.00 H ATOM 1653 HG13 ILE A 144 -6.148 6.265 0.758 1.00 0.00 H ATOM 1654 HD11 ILE A 144 -5.242 8.540 0.865 1.00 0.00 H ATOM 1655 HD12 ILE A 144 -5.718 8.808 -0.830 1.00 0.00 H ATOM 1656 HD13 ILE A 144 -6.965 8.541 0.412 1.00 0.00 H ATOM 1657 HG21 ILE A 144 -3.564 5.574 -2.409 1.00 0.00 H ATOM 1658 HG22 ILE A 144 -5.246 5.030 -2.197 1.00 0.00 H ATOM 1659 HG23 ILE A 144 -4.908 6.705 -2.700 1.00 0.00 H ATOM 1660 H ILE A 144 -3.771 6.595 1.841 1.00 0.00 H ATOM 1661 N VAL A 145 -1.741 5.171 -0.514 1.00 0.24 N ATOM 1662 CA VAL A 145 -0.526 4.635 -1.125 1.00 0.28 C ATOM 1663 C VAL A 145 -0.144 3.288 -0.523 1.00 0.32 C ATOM 1664 O VAL A 145 0.210 2.355 -1.244 1.00 0.56 O ATOM 1665 CB VAL A 145 0.698 5.587 -1.018 1.00 0.31 C ATOM 1666 CG1 VAL A 145 0.689 6.401 0.263 1.00 0.49 C ATOM 1667 CG2 VAL A 145 1.992 4.797 -1.103 1.00 0.36 C ATOM 1668 HA VAL A 145 -0.774 4.521 -2.180 1.00 0.00 H ATOM 1669 HB VAL A 145 0.630 6.281 -1.855 1.00 0.00 H ATOM 1670 HG11 VAL A 145 -0.215 7.009 0.299 1.00 0.00 H ATOM 1671 HG12 VAL A 145 0.710 5.728 1.120 1.00 0.00 H ATOM 1672 HG13 VAL A 145 1.565 7.049 0.287 1.00 0.00 H ATOM 1673 HG21 VAL A 145 2.030 4.076 -0.287 1.00 0.00 H ATOM 1674 HG22 VAL A 145 2.033 4.271 -2.057 1.00 0.00 H ATOM 1675 HG23 VAL A 145 2.839 5.479 -1.026 1.00 0.00 H ATOM 1676 H VAL A 145 -1.735 6.142 -0.142 1.00 0.00 H ATOM 1677 N ALA A 146 -0.209 3.191 0.797 1.00 0.28 N ATOM 1678 CA ALA A 146 0.142 1.958 1.490 1.00 0.28 C ATOM 1679 C ALA A 146 -0.675 0.776 0.980 1.00 0.24 C ATOM 1680 O ALA A 146 -0.121 -0.255 0.599 1.00 0.23 O ATOM 1681 CB ALA A 146 -0.064 2.131 2.984 1.00 0.30 C ATOM 1682 HA ALA A 146 1.192 1.745 1.290 1.00 0.00 H ATOM 1683 HB1 ALA A 146 0.569 2.941 3.345 1.00 0.00 H ATOM 1684 HB2 ALA A 146 -1.109 2.370 3.180 1.00 0.00 H ATOM 1685 HB3 ALA A 146 0.200 1.205 3.496 1.00 0.00 H ATOM 1686 H ALA A 146 -0.518 4.015 1.352 1.00 0.00 H ATOM 1687 N PHE A 147 -1.995 0.929 0.975 1.00 0.27 N ATOM 1688 CA PHE A 147 -2.881 -0.131 0.509 1.00 0.28 C ATOM 1689 C PHE A 147 -2.564 -0.491 -0.938 1.00 0.25 C ATOM 1690 O PHE A 147 -2.490 -1.668 -1.295 1.00 0.24 O ATOM 1691 CB PHE A 147 -4.341 0.303 0.635 1.00 0.38 C ATOM 1692 CG PHE A 147 -5.154 0.039 -0.601 1.00 0.37 C ATOM 1693 CD1 PHE A 147 -5.204 0.971 -1.624 1.00 0.97 C ATOM 1694 CD2 PHE A 147 -5.867 -1.141 -0.737 1.00 1.25 C ATOM 1695 CE1 PHE A 147 -5.951 0.731 -2.762 1.00 0.92 C ATOM 1696 CE2 PHE A 147 -6.615 -1.387 -1.873 1.00 1.36 C ATOM 1697 CZ PHE A 147 -6.657 -0.449 -2.886 1.00 0.56 C ATOM 1698 HA PHE A 147 -2.722 -1.012 1.131 1.00 0.00 H ATOM 1699 HB2 PHE A 147 -4.792 -0.238 1.467 1.00 0.00 H ATOM 1700 HB3 PHE A 147 -4.366 1.373 0.843 1.00 0.00 H ATOM 1701 HD2 PHE A 147 -5.838 -1.883 0.060 1.00 0.00 H ATOM 1702 HE2 PHE A 147 -7.171 -2.320 -1.969 1.00 0.00 H ATOM 1703 HZ PHE A 147 -7.247 -0.640 -3.782 1.00 0.00 H ATOM 1704 HE1 PHE A 147 -5.983 1.472 -3.560 1.00 0.00 H ATOM 1705 HD1 PHE A 147 -4.648 1.904 -1.531 1.00 0.00 H ATOM 1706 H PHE A 147 -2.405 1.824 1.311 1.00 0.00 H ATOM 1707 N PHE A 148 -2.370 0.531 -1.765 1.00 0.30 N ATOM 1708 CA PHE A 148 -2.051 0.327 -3.173 1.00 0.34 C ATOM 1709 C PHE A 148 -0.880 -0.639 -3.320 1.00 0.33 C ATOM 1710 O PHE A 148 -0.948 -1.603 -4.081 1.00 0.41 O ATOM 1711 CB PHE A 148 -1.706 1.661 -3.836 1.00 0.42 C ATOM 1712 CG PHE A 148 -2.808 2.210 -4.697 1.00 0.33 C ATOM 1713 CD1 PHE A 148 -3.242 1.518 -5.815 1.00 1.14 C ATOM 1714 CD2 PHE A 148 -3.407 3.420 -4.386 1.00 1.07 C ATOM 1715 CE1 PHE A 148 -4.256 2.022 -6.608 1.00 1.21 C ATOM 1716 CE2 PHE A 148 -4.421 3.930 -5.175 1.00 1.02 C ATOM 1717 CZ PHE A 148 -4.846 3.230 -6.288 1.00 0.42 C ATOM 1718 HA PHE A 148 -2.925 -0.100 -3.665 1.00 0.00 H ATOM 1719 HB2 PHE A 148 -1.485 2.388 -3.054 1.00 0.00 H ATOM 1720 HB3 PHE A 148 -0.822 1.518 -4.457 1.00 0.00 H ATOM 1721 HD2 PHE A 148 -3.075 3.976 -3.509 1.00 0.00 H ATOM 1722 HE2 PHE A 148 -4.885 4.883 -4.920 1.00 0.00 H ATOM 1723 HZ PHE A 148 -5.645 3.630 -6.912 1.00 0.00 H ATOM 1724 HE1 PHE A 148 -4.590 1.467 -7.485 1.00 0.00 H ATOM 1725 HD1 PHE A 148 -2.779 0.565 -6.073 1.00 0.00 H ATOM 1726 H PHE A 148 -2.448 1.501 -1.398 1.00 0.00 H ATOM 1727 N GLU A 149 0.192 -0.371 -2.580 1.00 0.29 N ATOM 1728 CA GLU A 149 1.381 -1.213 -2.620 1.00 0.31 C ATOM 1729 C GLU A 149 1.063 -2.621 -2.129 1.00 0.27 C ATOM 1730 O GLU A 149 1.553 -3.607 -2.680 1.00 0.28 O ATOM 1731 CB GLU A 149 2.495 -0.602 -1.769 1.00 0.36 C ATOM 1732 CG GLU A 149 3.477 -1.627 -1.225 1.00 0.77 C ATOM 1733 CD GLU A 149 4.072 -2.498 -2.314 1.00 1.41 C ATOM 1734 OE1 GLU A 149 3.799 -2.232 -3.503 1.00 2.21 O ATOM 1735 OE2 GLU A 149 4.814 -3.445 -1.977 1.00 2.08 O ATOM 1736 HA GLU A 149 1.719 -1.274 -3.654 1.00 0.00 H ATOM 1737 HB2 GLU A 149 3.046 0.112 -2.382 1.00 0.00 H ATOM 1738 HB3 GLU A 149 2.039 -0.080 -0.927 1.00 0.00 H ATOM 1739 HG2 GLU A 149 4.285 -1.101 -0.717 1.00 0.00 H ATOM 1740 HG3 GLU A 149 2.956 -2.266 -0.512 1.00 0.00 H ATOM 1741 H GLU A 149 0.182 0.461 -1.956 1.00 0.00 H ATOM 1742 N PHE A 150 0.240 -2.706 -1.090 1.00 0.25 N ATOM 1743 CA PHE A 150 -0.146 -3.992 -0.524 1.00 0.26 C ATOM 1744 C PHE A 150 -0.795 -4.878 -1.582 1.00 0.27 C ATOM 1745 O PHE A 150 -0.423 -6.040 -1.746 1.00 0.33 O ATOM 1746 CB PHE A 150 -1.108 -3.790 0.649 1.00 0.26 C ATOM 1747 CG PHE A 150 -0.913 -4.779 1.763 1.00 0.34 C ATOM 1748 CD1 PHE A 150 -0.414 -6.045 1.503 1.00 1.02 C ATOM 1749 CD2 PHE A 150 -1.230 -4.442 3.068 1.00 1.08 C ATOM 1750 CE1 PHE A 150 -0.234 -6.956 2.526 1.00 1.11 C ATOM 1751 CE2 PHE A 150 -1.053 -5.350 4.095 1.00 1.16 C ATOM 1752 CZ PHE A 150 -0.554 -6.609 3.823 1.00 0.69 C ATOM 1753 HA PHE A 150 0.756 -4.487 -0.163 1.00 0.00 H ATOM 1754 HB2 PHE A 150 -0.959 -2.787 1.048 1.00 0.00 H ATOM 1755 HB3 PHE A 150 -2.129 -3.885 0.278 1.00 0.00 H ATOM 1756 HD2 PHE A 150 -1.624 -3.450 3.288 1.00 0.00 H ATOM 1757 HE2 PHE A 150 -1.307 -5.073 5.118 1.00 0.00 H ATOM 1758 HZ PHE A 150 -0.413 -7.327 4.631 1.00 0.00 H ATOM 1759 HE1 PHE A 150 0.161 -7.949 2.309 1.00 0.00 H ATOM 1760 HD1 PHE A 150 -0.161 -6.325 0.481 1.00 0.00 H ATOM 1761 H PHE A 150 -0.138 -1.833 -0.670 1.00 0.00 H ATOM 1762 N GLY A 151 -1.765 -4.321 -2.298 1.00 0.27 N ATOM 1763 CA GLY A 151 -2.446 -5.074 -3.333 1.00 0.33 C ATOM 1764 C GLY A 151 -1.481 -5.699 -4.320 1.00 0.33 C ATOM 1765 O GLY A 151 -1.618 -6.869 -4.678 1.00 0.46 O ATOM 1766 HA3 GLY A 151 -3.114 -4.403 -3.873 1.00 0.00 H ATOM 1767 HA2 GLY A 151 -3.030 -5.866 -2.864 1.00 0.00 H ATOM 1768 H GLY A 151 -2.039 -3.335 -2.114 1.00 0.00 H ATOM 1769 N GLY A 152 -0.499 -4.917 -4.757 1.00 0.26 N ATOM 1770 CA GLY A 152 0.482 -5.418 -5.700 1.00 0.28 C ATOM 1771 C GLY A 152 1.265 -6.590 -5.144 1.00 0.26 C ATOM 1772 O GLY A 152 1.495 -7.579 -5.841 1.00 0.28 O ATOM 1773 HA3 GLY A 152 1.177 -4.615 -5.943 1.00 0.00 H ATOM 1774 HA2 GLY A 152 -0.033 -5.738 -6.606 1.00 0.00 H ATOM 1775 H GLY A 152 -0.434 -3.936 -4.419 1.00 0.00 H ATOM 1776 N VAL A 153 1.671 -6.482 -3.883 1.00 0.24 N ATOM 1777 CA VAL A 153 2.427 -7.543 -3.232 1.00 0.26 C ATOM 1778 C VAL A 153 1.644 -8.851 -3.242 1.00 0.25 C ATOM 1779 O VAL A 153 2.216 -9.929 -3.403 1.00 0.28 O ATOM 1780 CB VAL A 153 2.777 -7.177 -1.778 1.00 0.26 C ATOM 1781 CG1 VAL A 153 3.491 -8.331 -1.093 1.00 0.72 C ATOM 1782 CG2 VAL A 153 3.624 -5.914 -1.735 1.00 0.89 C ATOM 1783 HA VAL A 153 3.352 -7.667 -3.796 1.00 0.00 H ATOM 1784 HB VAL A 153 1.850 -6.984 -1.238 1.00 0.00 H ATOM 1785 HG11 VAL A 153 2.843 -9.208 -1.091 1.00 0.00 H ATOM 1786 HG12 VAL A 153 4.411 -8.559 -1.632 1.00 0.00 H ATOM 1787 HG13 VAL A 153 3.729 -8.051 -0.067 1.00 0.00 H ATOM 1788 HG21 VAL A 153 4.547 -6.078 -2.291 1.00 0.00 H ATOM 1789 HG22 VAL A 153 3.069 -5.090 -2.184 1.00 0.00 H ATOM 1790 HG23 VAL A 153 3.861 -5.672 -0.699 1.00 0.00 H ATOM 1791 H VAL A 153 1.443 -5.619 -3.349 1.00 0.00 H ATOM 1792 N MET A 154 0.331 -8.745 -3.067 1.00 0.23 N ATOM 1793 CA MET A 154 -0.538 -9.915 -3.056 1.00 0.27 C ATOM 1794 C MET A 154 -0.755 -10.456 -4.466 1.00 0.29 C ATOM 1795 O MET A 154 -0.639 -11.655 -4.707 1.00 0.33 O ATOM 1796 CB MET A 154 -1.885 -9.565 -2.422 1.00 0.29 C ATOM 1797 CG MET A 154 -2.767 -10.776 -2.161 1.00 0.88 C ATOM 1798 SD MET A 154 -4.435 -10.321 -1.649 1.00 1.27 S ATOM 1799 CE MET A 154 -4.180 -8.623 -1.143 1.00 0.43 C ATOM 1800 HA MET A 154 -0.050 -10.689 -2.464 1.00 0.00 H ATOM 1801 HB2 MET A 154 -1.699 -9.062 -1.473 1.00 0.00 H ATOM 1802 HB3 MET A 154 -2.416 -8.889 -3.092 1.00 0.00 H ATOM 1803 HG2 MET A 154 -2.312 -11.377 -1.374 1.00 0.00 H ATOM 1804 HG3 MET A 154 -2.831 -11.366 -3.076 1.00 0.00 H ATOM 1805 HE1 MET A 154 -3.451 -8.592 -0.333 1.00 0.00 H ATOM 1806 HE2 MET A 154 -3.810 -8.045 -1.989 1.00 0.00 H ATOM 1807 HE3 MET A 154 -5.125 -8.202 -0.799 1.00 0.00 H ATOM 1808 H MET A 154 -0.088 -7.802 -2.934 1.00 0.00 H ATOM 1809 N CYS A 155 -1.073 -9.564 -5.397 1.00 0.29 N ATOM 1810 CA CYS A 155 -1.304 -9.965 -6.779 1.00 0.32 C ATOM 1811 C CYS A 155 -0.113 -10.754 -7.312 1.00 0.32 C ATOM 1812 O CYS A 155 -0.276 -11.712 -8.068 1.00 0.36 O ATOM 1813 CB CYS A 155 -1.553 -8.736 -7.656 1.00 0.35 C ATOM 1814 SG CYS A 155 -0.204 -8.360 -8.799 1.00 0.92 S ATOM 1815 HA CYS A 155 -2.187 -10.603 -6.808 1.00 0.00 H ATOM 1816 HB2 CYS A 155 -1.701 -7.874 -7.005 1.00 0.00 H ATOM 1817 HB3 CYS A 155 -2.458 -8.908 -8.239 1.00 0.00 H ATOM 1818 HG CYS A 155 0.951 -8.122 -8.082 1.00 0.00 H ATOM 1819 H CYS A 155 -1.159 -8.561 -5.135 1.00 0.00 H ATOM 1820 N VAL A 156 1.086 -10.348 -6.905 1.00 0.30 N ATOM 1821 CA VAL A 156 2.307 -11.017 -7.331 1.00 0.33 C ATOM 1822 C VAL A 156 2.498 -12.329 -6.576 1.00 0.36 C ATOM 1823 O VAL A 156 3.009 -13.299 -7.122 1.00 0.38 O ATOM 1824 CB VAL A 156 3.544 -10.127 -7.107 1.00 0.36 C ATOM 1825 CG1 VAL A 156 4.748 -10.971 -6.720 1.00 0.66 C ATOM 1826 CG2 VAL A 156 3.840 -9.302 -8.351 1.00 0.67 C ATOM 1827 HA VAL A 156 2.205 -11.220 -8.397 1.00 0.00 H ATOM 1828 HB VAL A 156 3.332 -9.442 -6.286 1.00 0.00 H ATOM 1829 HG11 VAL A 156 4.530 -11.512 -5.799 1.00 0.00 H ATOM 1830 HG12 VAL A 156 4.964 -11.682 -7.518 1.00 0.00 H ATOM 1831 HG13 VAL A 156 5.611 -10.322 -6.567 1.00 0.00 H ATOM 1832 HG21 VAL A 156 4.031 -9.970 -9.191 1.00 0.00 H ATOM 1833 HG22 VAL A 156 2.983 -8.668 -8.577 1.00 0.00 H ATOM 1834 HG23 VAL A 156 4.717 -8.680 -8.173 1.00 0.00 H ATOM 1835 H VAL A 156 1.153 -9.531 -6.265 1.00 0.00 H ATOM 1836 N GLU A 157 2.080 -12.355 -5.314 1.00 0.40 N ATOM 1837 CA GLU A 157 2.215 -13.558 -4.500 1.00 0.45 C ATOM 1838 C GLU A 157 1.672 -14.776 -5.236 1.00 0.44 C ATOM 1839 O GLU A 157 2.317 -15.824 -5.282 1.00 0.45 O ATOM 1840 CB GLU A 157 1.497 -13.389 -3.159 1.00 0.52 C ATOM 1841 CG GLU A 157 2.410 -12.935 -2.033 1.00 1.04 C ATOM 1842 CD GLU A 157 3.487 -13.952 -1.708 1.00 1.51 C ATOM 1843 OE1 GLU A 157 3.299 -15.142 -2.041 1.00 1.97 O ATOM 1844 OE2 GLU A 157 4.517 -13.561 -1.121 1.00 2.33 O ATOM 1845 HA GLU A 157 3.277 -13.715 -4.309 1.00 0.00 H ATOM 1846 HB2 GLU A 157 0.707 -12.649 -3.282 1.00 0.00 H ATOM 1847 HB3 GLU A 157 1.056 -14.346 -2.881 1.00 0.00 H ATOM 1848 HG2 GLU A 157 2.889 -12.001 -2.327 1.00 0.00 H ATOM 1849 HG3 GLU A 157 1.807 -12.768 -1.141 1.00 0.00 H ATOM 1850 H GLU A 157 1.650 -11.503 -4.900 1.00 0.00 H ATOM 1851 N SER A 158 0.487 -14.630 -5.818 1.00 0.45 N ATOM 1852 CA SER A 158 -0.135 -15.718 -6.559 1.00 0.46 C ATOM 1853 C SER A 158 0.776 -16.189 -7.687 1.00 0.42 C ATOM 1854 O SER A 158 0.902 -17.389 -7.933 1.00 0.48 O ATOM 1855 CB SER A 158 -1.483 -15.272 -7.128 1.00 0.51 C ATOM 1856 OG SER A 158 -1.993 -14.157 -6.416 1.00 1.47 O ATOM 1857 HA SER A 158 -0.298 -16.549 -5.873 1.00 0.00 H ATOM 1858 HB2 SER A 158 -2.192 -16.097 -7.054 1.00 0.00 H ATOM 1859 HB3 SER A 158 -1.355 -14.998 -8.175 1.00 0.00 H ATOM 1860 HG SER A 158 -1.355 -13.403 -6.484 1.00 0.00 H ATOM 1861 H SER A 158 -0.008 -13.718 -5.743 1.00 0.00 H ATOM 1862 N VAL A 159 1.409 -15.240 -8.376 1.00 0.36 N ATOM 1863 CA VAL A 159 2.301 -15.579 -9.477 1.00 0.35 C ATOM 1864 C VAL A 159 3.520 -16.355 -8.985 1.00 0.35 C ATOM 1865 O VAL A 159 4.077 -17.179 -9.711 1.00 0.51 O ATOM 1866 CB VAL A 159 2.735 -14.345 -10.311 1.00 0.32 C ATOM 1867 CG1 VAL A 159 1.593 -13.348 -10.424 1.00 0.38 C ATOM 1868 CG2 VAL A 159 3.987 -13.668 -9.754 1.00 0.48 C ATOM 1869 HA VAL A 159 1.726 -16.221 -10.144 1.00 0.00 H ATOM 1870 HB VAL A 159 2.990 -14.710 -11.306 1.00 0.00 H ATOM 1871 HG11 VAL A 159 0.743 -13.825 -10.913 1.00 0.00 H ATOM 1872 HG12 VAL A 159 1.301 -13.017 -9.427 1.00 0.00 H ATOM 1873 HG13 VAL A 159 1.918 -12.490 -11.013 1.00 0.00 H ATOM 1874 HG21 VAL A 159 3.794 -13.332 -8.735 1.00 0.00 H ATOM 1875 HG22 VAL A 159 4.813 -14.379 -9.753 1.00 0.00 H ATOM 1876 HG23 VAL A 159 4.243 -12.812 -10.378 1.00 0.00 H ATOM 1877 H VAL A 159 1.264 -14.242 -8.124 1.00 0.00 H ATOM 1878 N ASN A 160 3.927 -16.088 -7.749 1.00 0.47 N ATOM 1879 CA ASN A 160 5.077 -16.763 -7.161 1.00 0.53 C ATOM 1880 C ASN A 160 4.936 -18.278 -7.272 1.00 0.46 C ATOM 1881 O ASN A 160 5.876 -18.971 -7.660 1.00 0.44 O ATOM 1882 CB ASN A 160 5.231 -16.362 -5.693 1.00 0.72 C ATOM 1883 CG ASN A 160 6.645 -15.929 -5.356 1.00 1.02 C ATOM 1884 OD1 ASN A 160 7.571 -16.740 -5.350 1.00 1.56 O ATOM 1885 ND2 ASN A 160 6.817 -14.643 -5.072 1.00 1.58 N ATOM 1886 HA ASN A 160 5.967 -16.458 -7.712 1.00 0.00 H ATOM 1887 HB2 ASN A 160 4.552 -15.535 -5.483 1.00 0.00 H ATOM 1888 HB3 ASN A 160 4.968 -17.215 -5.068 1.00 0.00 H ATOM 1889 HD22 ASN A 160 6.005 -13.993 -5.089 1.00 0.00 H ATOM 1890 HD21 ASN A 160 7.764 -14.286 -4.832 1.00 0.00 H ATOM 1891 H ASN A 160 3.412 -15.380 -7.187 1.00 0.00 H ATOM 1892 N ARG A 161 3.755 -18.785 -6.933 1.00 0.53 N ATOM 1893 CA ARG A 161 3.493 -20.218 -6.998 1.00 0.59 C ATOM 1894 C ARG A 161 2.996 -20.612 -8.384 1.00 0.60 C ATOM 1895 O ARG A 161 3.734 -21.199 -9.176 1.00 1.25 O ATOM 1896 CB ARG A 161 2.464 -20.619 -5.939 1.00 0.73 C ATOM 1897 CG ARG A 161 2.971 -20.474 -4.513 1.00 1.37 C ATOM 1898 CD ARG A 161 4.268 -21.237 -4.302 1.00 1.33 C ATOM 1899 NE ARG A 161 4.336 -22.443 -5.123 1.00 1.94 N ATOM 1900 CZ ARG A 161 3.574 -23.519 -4.930 1.00 2.38 C ATOM 1901 NH1 ARG A 161 2.684 -23.547 -3.945 1.00 2.62 N ATOM 1902 NH2 ARG A 161 3.705 -24.571 -5.725 1.00 3.20 N ATOM 1903 HA ARG A 161 4.427 -20.745 -6.801 1.00 0.00 H ATOM 1904 HB2 ARG A 161 1.583 -19.988 -6.058 1.00 0.00 H ATOM 1905 HB3 ARG A 161 2.188 -21.661 -6.103 1.00 0.00 H ATOM 1906 HG2 ARG A 161 3.143 -19.418 -4.304 1.00 0.00 H ATOM 1907 HG3 ARG A 161 2.217 -20.861 -3.828 1.00 0.00 H ATOM 1908 HD2 ARG A 161 4.342 -21.521 -3.252 1.00 0.00 H ATOM 1909 HD3 ARG A 161 5.104 -20.588 -4.561 1.00 0.00 H ATOM 1910 HE ARG A 161 5.021 -22.463 -5.906 1.00 0.00 H ATOM 1911 HH12 ARG A 161 2.093 -24.391 -3.802 1.00 0.00 H ATOM 1912 HH11 ARG A 161 2.577 -22.725 -3.317 1.00 0.00 H ATOM 1913 HH22 ARG A 161 3.112 -25.412 -5.577 1.00 0.00 H ATOM 1914 HH21 ARG A 161 4.401 -24.556 -6.497 1.00 0.00 H ATOM 1915 H ARG A 161 3.000 -18.145 -6.614 1.00 0.00 H ATOM 1916 N GLU A 162 1.741 -20.281 -8.673 1.00 0.72 N ATOM 1917 CA GLU A 162 1.143 -20.597 -9.965 1.00 0.68 C ATOM 1918 C GLU A 162 -0.286 -20.074 -10.043 1.00 0.64 C ATOM 1919 O GLU A 162 -1.231 -20.846 -10.199 1.00 0.91 O ATOM 1920 CB GLU A 162 1.155 -22.109 -10.203 1.00 0.80 C ATOM 1921 CG GLU A 162 1.200 -22.492 -11.674 1.00 0.88 C ATOM 1922 CD GLU A 162 1.127 -23.991 -11.887 1.00 1.58 C ATOM 1923 OE1 GLU A 162 0.116 -24.600 -11.482 1.00 2.34 O ATOM 1924 OE2 GLU A 162 2.083 -24.556 -12.461 1.00 2.20 O ATOM 1925 HA GLU A 162 1.736 -20.109 -10.739 1.00 0.00 H ATOM 1926 HB2 GLU A 162 2.032 -22.529 -9.710 1.00 0.00 H ATOM 1927 HB3 GLU A 162 0.253 -22.535 -9.763 1.00 0.00 H ATOM 1928 HG2 GLU A 162 0.357 -22.025 -12.183 1.00 0.00 H ATOM 1929 HG3 GLU A 162 2.131 -22.123 -12.103 1.00 0.00 H ATOM 1930 H GLU A 162 1.171 -19.784 -7.959 1.00 0.00 H ATOM 1931 N MET A 163 -0.438 -18.759 -9.933 1.00 0.56 N ATOM 1932 CA MET A 163 -1.755 -18.139 -9.990 1.00 0.50 C ATOM 1933 C MET A 163 -1.676 -16.728 -10.567 1.00 0.43 C ATOM 1934 O MET A 163 -2.290 -15.799 -10.044 1.00 0.47 O ATOM 1935 CB MET A 163 -2.383 -18.100 -8.594 1.00 0.54 C ATOM 1936 CG MET A 163 -3.168 -19.354 -8.246 1.00 0.72 C ATOM 1937 SD MET A 163 -2.732 -20.020 -6.627 1.00 1.42 S ATOM 1938 CE MET A 163 -4.357 -20.289 -5.922 1.00 1.36 C ATOM 1939 HA MET A 163 -2.382 -18.741 -10.648 1.00 0.00 H ATOM 1940 HB2 MET A 163 -1.586 -17.977 -7.860 1.00 0.00 H ATOM 1941 HB3 MET A 163 -3.057 -17.245 -8.543 1.00 0.00 H ATOM 1942 HG2 MET A 163 -2.966 -20.113 -9.002 1.00 0.00 H ATOM 1943 HG3 MET A 163 -4.231 -19.113 -8.250 1.00 0.00 H ATOM 1944 HE1 MET A 163 -4.892 -19.341 -5.874 1.00 0.00 H ATOM 1945 HE2 MET A 163 -4.911 -20.989 -6.547 1.00 0.00 H ATOM 1946 HE3 MET A 163 -4.253 -20.700 -4.918 1.00 0.00 H ATOM 1947 H MET A 163 0.402 -18.159 -9.803 1.00 0.00 H ATOM 1948 N SER A 164 -0.924 -16.575 -11.651 1.00 0.49 N ATOM 1949 CA SER A 164 -0.782 -15.275 -12.299 1.00 0.50 C ATOM 1950 C SER A 164 -2.151 -14.644 -12.553 1.00 0.46 C ATOM 1951 O SER A 164 -2.378 -13.483 -12.213 1.00 0.46 O ATOM 1952 CB SER A 164 -0.019 -15.418 -13.617 1.00 0.63 C ATOM 1953 OG SER A 164 -0.802 -14.968 -14.710 1.00 1.57 O ATOM 1954 HA SER A 164 -0.218 -14.623 -11.632 1.00 0.00 H ATOM 1955 HB2 SER A 164 0.236 -16.467 -13.769 1.00 0.00 H ATOM 1956 HB3 SER A 164 0.895 -14.826 -13.566 1.00 0.00 H ATOM 1957 HG SER A 164 -0.286 -15.071 -15.549 1.00 0.00 H ATOM 1958 H SER A 164 -0.426 -17.398 -12.046 1.00 0.00 H ATOM 1959 N PRO A 165 -3.091 -15.404 -13.150 1.00 0.50 N ATOM 1960 CA PRO A 165 -4.441 -14.910 -13.434 1.00 0.51 C ATOM 1961 C PRO A 165 -5.070 -14.211 -12.231 1.00 0.45 C ATOM 1962 O PRO A 165 -5.854 -13.276 -12.385 1.00 0.45 O ATOM 1963 CB PRO A 165 -5.217 -16.181 -13.779 1.00 0.60 C ATOM 1964 CG PRO A 165 -4.190 -17.106 -14.329 1.00 0.71 C ATOM 1965 CD PRO A 165 -2.915 -16.803 -13.589 1.00 0.58 C ATOM 1966 HA PRO A 165 -4.443 -14.163 -14.228 1.00 0.00 H ATOM 1967 HD3 PRO A 165 -2.794 -17.467 -12.733 1.00 0.00 H ATOM 1968 HD2 PRO A 165 -2.051 -16.899 -14.247 1.00 0.00 H ATOM 1969 HG3 PRO A 165 -4.058 -16.933 -15.397 1.00 0.00 H ATOM 1970 HG2 PRO A 165 -4.486 -18.142 -14.164 1.00 0.00 H ATOM 1971 HB2 PRO A 165 -5.680 -16.604 -12.887 1.00 0.00 H ATOM 1972 HB3 PRO A 165 -5.987 -15.973 -14.522 1.00 0.00 H ATOM 1973 N LEU A 166 -4.726 -14.680 -11.034 1.00 0.44 N ATOM 1974 CA LEU A 166 -5.265 -14.108 -9.804 1.00 0.41 C ATOM 1975 C LEU A 166 -4.998 -12.607 -9.724 1.00 0.37 C ATOM 1976 O LEU A 166 -5.743 -11.872 -9.074 1.00 0.36 O ATOM 1977 CB LEU A 166 -4.663 -14.809 -8.586 1.00 0.44 C ATOM 1978 CG LEU A 166 -5.582 -14.893 -7.366 1.00 0.64 C ATOM 1979 CD1 LEU A 166 -6.865 -15.630 -7.715 1.00 1.26 C ATOM 1980 CD2 LEU A 166 -4.871 -15.577 -6.209 1.00 1.71 C ATOM 1981 HA LEU A 166 -6.344 -14.261 -9.811 1.00 0.00 H ATOM 1982 HB2 LEU A 166 -4.396 -15.824 -8.878 1.00 0.00 H ATOM 1983 HB3 LEU A 166 -3.763 -14.267 -8.295 1.00 0.00 H ATOM 1984 HG LEU A 166 -5.841 -13.879 -7.059 1.00 0.00 H ATOM 1985 HD21 LEU A 166 -4.583 -16.585 -6.506 1.00 0.00 H ATOM 1986 HD22 LEU A 166 -3.981 -15.007 -5.943 1.00 0.00 H ATOM 1987 HD23 LEU A 166 -5.541 -15.627 -5.351 1.00 0.00 H ATOM 1988 HD11 LEU A 166 -7.383 -15.098 -8.513 1.00 0.00 H ATOM 1989 HD12 LEU A 166 -6.624 -16.640 -8.047 1.00 0.00 H ATOM 1990 HD13 LEU A 166 -7.505 -15.679 -6.834 1.00 0.00 H ATOM 1991 H LEU A 166 -4.057 -15.474 -10.973 1.00 0.00 H ATOM 1992 N VAL A 167 -3.938 -12.152 -10.385 1.00 0.36 N ATOM 1993 CA VAL A 167 -3.591 -10.736 -10.380 1.00 0.36 C ATOM 1994 C VAL A 167 -4.776 -9.882 -10.814 1.00 0.35 C ATOM 1995 O VAL A 167 -4.932 -8.746 -10.365 1.00 0.35 O ATOM 1996 CB VAL A 167 -2.397 -10.446 -11.308 1.00 0.40 C ATOM 1997 CG1 VAL A 167 -1.191 -11.279 -10.903 1.00 0.43 C ATOM 1998 CG2 VAL A 167 -2.773 -10.708 -12.759 1.00 0.40 C ATOM 1999 HA VAL A 167 -3.315 -10.481 -9.357 1.00 0.00 H ATOM 2000 HB VAL A 167 -2.131 -9.393 -11.210 1.00 0.00 H ATOM 2001 HG11 VAL A 167 -0.910 -11.035 -9.878 1.00 0.00 H ATOM 2002 HG12 VAL A 167 -1.443 -12.337 -10.970 1.00 0.00 H ATOM 2003 HG13 VAL A 167 -0.358 -11.059 -11.571 1.00 0.00 H ATOM 2004 HG21 VAL A 167 -3.066 -11.751 -12.874 1.00 0.00 H ATOM 2005 HG22 VAL A 167 -3.605 -10.062 -13.040 1.00 0.00 H ATOM 2006 HG23 VAL A 167 -1.916 -10.497 -13.399 1.00 0.00 H ATOM 2007 H VAL A 167 -3.344 -12.820 -10.917 1.00 0.00 H ATOM 2008 N ASP A 168 -5.611 -10.437 -11.685 1.00 0.35 N ATOM 2009 CA ASP A 168 -6.787 -9.720 -12.173 1.00 0.37 C ATOM 2010 C ASP A 168 -7.819 -9.574 -11.060 1.00 0.35 C ATOM 2011 O ASP A 168 -8.368 -8.495 -10.842 1.00 0.36 O ATOM 2012 CB ASP A 168 -7.436 -10.442 -13.367 1.00 0.42 C ATOM 2013 CG ASP A 168 -6.457 -11.235 -14.217 1.00 0.94 C ATOM 2014 OD1 ASP A 168 -5.244 -10.951 -14.158 1.00 1.53 O ATOM 2015 OD2 ASP A 168 -6.909 -12.145 -14.942 1.00 1.72 O ATOM 2016 HA ASP A 168 -6.452 -8.736 -12.501 1.00 0.00 H ATOM 2017 HB2 ASP A 168 -8.191 -11.128 -12.984 1.00 0.00 H ATOM 2018 HB3 ASP A 168 -7.914 -9.695 -14.001 1.00 0.00 H ATOM 2019 H ASP A 168 -5.424 -11.401 -12.027 1.00 0.00 H ATOM 2020 N ASN A 169 -8.076 -10.676 -10.359 1.00 0.34 N ATOM 2021 CA ASN A 169 -9.042 -10.682 -9.266 1.00 0.34 C ATOM 2022 C ASN A 169 -8.639 -9.685 -8.186 1.00 0.31 C ATOM 2023 O ASN A 169 -9.488 -9.025 -7.587 1.00 0.32 O ATOM 2024 CB ASN A 169 -9.155 -12.085 -8.665 1.00 0.37 C ATOM 2025 CG ASN A 169 -10.160 -12.951 -9.398 1.00 0.99 C ATOM 2026 OD1 ASN A 169 -10.422 -12.748 -10.584 1.00 1.96 O ATOM 2027 ND2 ASN A 169 -10.728 -13.922 -8.694 1.00 1.44 N ATOM 2028 HA ASN A 169 -10.012 -10.388 -9.666 1.00 0.00 H ATOM 2029 HB2 ASN A 169 -8.178 -12.566 -8.713 1.00 0.00 H ATOM 2030 HB3 ASN A 169 -9.464 -11.996 -7.624 1.00 0.00 H ATOM 2031 HD22 ASN A 169 -10.475 -14.056 -7.694 1.00 0.00 H ATOM 2032 HD21 ASN A 169 -11.426 -14.549 -9.142 1.00 0.00 H ATOM 2033 H ASN A 169 -7.575 -11.556 -10.597 1.00 0.00 H ATOM 2034 N ILE A 170 -7.336 -9.580 -7.944 1.00 0.32 N ATOM 2035 CA ILE A 170 -6.819 -8.661 -6.937 1.00 0.30 C ATOM 2036 C ILE A 170 -7.153 -7.217 -7.293 1.00 0.29 C ATOM 2037 O ILE A 170 -7.741 -6.491 -6.493 1.00 0.28 O ATOM 2038 CB ILE A 170 -5.294 -8.803 -6.773 1.00 0.33 C ATOM 2039 CG1 ILE A 170 -4.945 -10.195 -6.241 1.00 0.47 C ATOM 2040 CG2 ILE A 170 -4.760 -7.726 -5.841 1.00 0.49 C ATOM 2041 CD1 ILE A 170 -4.378 -10.180 -4.837 1.00 0.39 C ATOM 2042 HA ILE A 170 -7.299 -8.920 -5.994 1.00 0.00 H ATOM 2043 HB ILE A 170 -4.824 -8.678 -7.749 1.00 0.00 H ATOM 2044 HG12 ILE A 170 -5.850 -10.802 -6.241 1.00 0.00 H ATOM 2045 HG13 ILE A 170 -4.208 -10.644 -6.906 1.00 0.00 H ATOM 2046 HD11 ILE A 170 -3.465 -9.585 -4.822 1.00 0.00 H ATOM 2047 HD12 ILE A 170 -5.109 -9.743 -4.156 1.00 0.00 H ATOM 2048 HD13 ILE A 170 -4.154 -11.200 -4.526 1.00 0.00 H ATOM 2049 HG21 ILE A 170 -4.984 -6.744 -6.257 1.00 0.00 H ATOM 2050 HG22 ILE A 170 -5.234 -7.825 -4.864 1.00 0.00 H ATOM 2051 HG23 ILE A 170 -3.681 -7.841 -5.736 1.00 0.00 H ATOM 2052 H ILE A 170 -6.670 -10.167 -8.486 1.00 0.00 H ATOM 2053 N ALA A 171 -6.780 -6.809 -8.503 1.00 0.32 N ATOM 2054 CA ALA A 171 -7.051 -5.453 -8.964 1.00 0.33 C ATOM 2055 C ALA A 171 -8.539 -5.133 -8.855 1.00 0.31 C ATOM 2056 O ALA A 171 -8.920 -3.988 -8.639 1.00 0.31 O ATOM 2057 CB ALA A 171 -6.572 -5.276 -10.397 1.00 0.38 C ATOM 2058 HA ALA A 171 -6.505 -4.758 -8.326 1.00 0.00 H ATOM 2059 HB1 ALA A 171 -5.499 -5.461 -10.445 1.00 0.00 H ATOM 2060 HB2 ALA A 171 -7.093 -5.983 -11.043 1.00 0.00 H ATOM 2061 HB3 ALA A 171 -6.782 -4.258 -10.726 1.00 0.00 H ATOM 2062 H ALA A 171 -6.285 -7.471 -9.133 1.00 0.00 H ATOM 2063 N LEU A 172 -9.375 -6.156 -9.005 1.00 0.30 N ATOM 2064 CA LEU A 172 -10.822 -5.979 -8.922 1.00 0.30 C ATOM 2065 C LEU A 172 -11.245 -5.592 -7.508 1.00 0.28 C ATOM 2066 O LEU A 172 -11.967 -4.616 -7.310 1.00 0.29 O ATOM 2067 CB LEU A 172 -11.538 -7.263 -9.346 1.00 0.32 C ATOM 2068 CG LEU A 172 -12.244 -7.193 -10.700 1.00 0.37 C ATOM 2069 CD1 LEU A 172 -13.201 -6.012 -10.745 1.00 0.54 C ATOM 2070 CD2 LEU A 172 -11.226 -7.099 -11.827 1.00 0.36 C ATOM 2071 HA LEU A 172 -11.103 -5.172 -9.599 1.00 0.00 H ATOM 2072 HB2 LEU A 172 -10.799 -8.063 -9.391 1.00 0.00 H ATOM 2073 HB3 LEU A 172 -12.284 -7.501 -8.587 1.00 0.00 H ATOM 2074 HG LEU A 172 -12.823 -8.107 -10.833 1.00 0.00 H ATOM 2075 HD21 LEU A 172 -10.622 -6.202 -11.695 1.00 0.00 H ATOM 2076 HD22 LEU A 172 -10.582 -7.978 -11.808 1.00 0.00 H ATOM 2077 HD23 LEU A 172 -11.748 -7.050 -12.783 1.00 0.00 H ATOM 2078 HD11 LEU A 172 -13.950 -6.123 -9.961 1.00 0.00 H ATOM 2079 HD12 LEU A 172 -12.644 -5.088 -10.589 1.00 0.00 H ATOM 2080 HD13 LEU A 172 -13.693 -5.981 -11.717 1.00 0.00 H ATOM 2081 H LEU A 172 -8.989 -7.105 -9.186 1.00 0.00 H ATOM 2082 N TRP A 173 -10.790 -6.365 -6.528 1.00 0.26 N ATOM 2083 CA TRP A 173 -11.123 -6.107 -5.131 1.00 0.25 C ATOM 2084 C TRP A 173 -10.540 -4.776 -4.667 1.00 0.24 C ATOM 2085 O TRP A 173 -11.166 -4.050 -3.894 1.00 0.23 O ATOM 2086 CB TRP A 173 -10.608 -7.242 -4.246 1.00 0.27 C ATOM 2087 CG TRP A 173 -11.024 -8.601 -4.719 1.00 0.27 C ATOM 2088 CD1 TRP A 173 -12.180 -8.924 -5.369 1.00 0.28 C ATOM 2089 CD2 TRP A 173 -10.287 -9.821 -4.579 1.00 0.29 C ATOM 2090 NE1 TRP A 173 -12.208 -10.271 -5.642 1.00 0.31 N ATOM 2091 CE2 TRP A 173 -11.057 -10.843 -5.166 1.00 0.32 C ATOM 2092 CE3 TRP A 173 -9.051 -10.148 -4.015 1.00 0.30 C ATOM 2093 CZ2 TRP A 173 -10.630 -12.168 -5.205 1.00 0.36 C ATOM 2094 CZ3 TRP A 173 -8.628 -11.464 -4.053 1.00 0.34 C ATOM 2095 CH2 TRP A 173 -9.416 -12.459 -4.645 1.00 0.37 C ATOM 2096 HA TRP A 173 -12.208 -6.053 -5.046 1.00 0.00 H ATOM 2097 HB2 TRP A 173 -9.519 -7.200 -4.229 1.00 0.00 H ATOM 2098 HB3 TRP A 173 -10.992 -7.095 -3.237 1.00 0.00 H ATOM 2099 HE1 TRP A 173 -12.977 -10.774 -6.130 1.00 0.00 H ATOM 2100 HD1 TRP A 173 -12.966 -8.217 -5.633 1.00 0.00 H ATOM 2101 HZ2 TRP A 173 -11.241 -12.945 -5.665 1.00 0.00 H ATOM 2102 HH2 TRP A 173 -9.054 -13.487 -4.660 1.00 0.00 H ATOM 2103 HZ3 TRP A 173 -7.666 -11.731 -3.615 1.00 0.00 H ATOM 2104 HE3 TRP A 173 -8.431 -9.379 -3.553 1.00 0.00 H ATOM 2105 H TRP A 173 -10.181 -7.175 -6.763 1.00 0.00 H ATOM 2106 N MET A 174 -9.342 -4.460 -5.145 1.00 0.26 N ATOM 2107 CA MET A 174 -8.679 -3.215 -4.778 1.00 0.26 C ATOM 2108 C MET A 174 -9.498 -2.012 -5.235 1.00 0.25 C ATOM 2109 O MET A 174 -9.575 -1.000 -4.541 1.00 0.26 O ATOM 2110 CB MET A 174 -7.280 -3.158 -5.394 1.00 0.32 C ATOM 2111 CG MET A 174 -6.182 -3.633 -4.457 1.00 0.86 C ATOM 2112 SD MET A 174 -6.680 -5.052 -3.462 1.00 1.59 S ATOM 2113 CE MET A 174 -5.616 -4.857 -2.036 1.00 1.18 C ATOM 2114 HA MET A 174 -8.591 -3.183 -3.692 1.00 0.00 H ATOM 2115 HB2 MET A 174 -7.269 -3.787 -6.284 1.00 0.00 H ATOM 2116 HB3 MET A 174 -7.070 -2.127 -5.677 1.00 0.00 H ATOM 2117 HG2 MET A 174 -5.916 -2.814 -3.788 1.00 0.00 H ATOM 2118 HG3 MET A 174 -5.312 -3.912 -5.052 1.00 0.00 H ATOM 2119 HE1 MET A 174 -4.574 -4.892 -2.354 1.00 0.00 H ATOM 2120 HE2 MET A 174 -5.820 -3.898 -1.560 1.00 0.00 H ATOM 2121 HE3 MET A 174 -5.808 -5.663 -1.328 1.00 0.00 H ATOM 2122 H MET A 174 -8.866 -5.116 -5.796 1.00 0.00 H ATOM 2123 N THR A 175 -10.105 -2.135 -6.409 1.00 0.27 N ATOM 2124 CA THR A 175 -10.919 -1.065 -6.972 1.00 0.29 C ATOM 2125 C THR A 175 -12.248 -0.943 -6.237 1.00 0.27 C ATOM 2126 O THR A 175 -12.797 0.150 -6.111 1.00 0.29 O ATOM 2127 CB THR A 175 -11.124 -1.309 -8.453 1.00 0.33 C ATOM 2128 OG1 THR A 175 -11.848 -2.506 -8.677 1.00 0.48 O ATOM 2129 CG2 THR A 175 -9.808 -1.413 -9.178 1.00 0.31 C ATOM 2130 HA THR A 175 -10.397 -0.117 -6.845 1.00 0.00 H ATOM 2131 HB THR A 175 -11.687 -0.458 -8.835 1.00 0.00 H ATOM 2132 HG1 THR A 175 -11.347 -3.270 -8.296 1.00 0.00 H ATOM 2133 HG23 THR A 175 -9.234 -0.500 -9.019 1.00 0.00 H ATOM 2134 HG21 THR A 175 -9.250 -2.267 -8.794 1.00 0.00 H ATOM 2135 HG22 THR A 175 -9.992 -1.547 -10.244 1.00 0.00 H ATOM 2136 H THR A 175 -9.997 -3.021 -6.943 1.00 0.00 H ATOM 2137 N GLU A 176 -12.758 -2.067 -5.741 1.00 0.25 N ATOM 2138 CA GLU A 176 -14.018 -2.062 -5.009 1.00 0.26 C ATOM 2139 C GLU A 176 -13.858 -1.344 -3.680 1.00 0.25 C ATOM 2140 O GLU A 176 -14.598 -0.415 -3.384 1.00 0.29 O ATOM 2141 CB GLU A 176 -14.501 -3.495 -4.775 1.00 0.31 C ATOM 2142 CG GLU A 176 -16.012 -3.643 -4.806 1.00 0.50 C ATOM 2143 CD GLU A 176 -16.618 -3.171 -6.114 1.00 0.82 C ATOM 2144 OE1 GLU A 176 -16.197 -3.670 -7.177 1.00 1.23 O ATOM 2145 OE2 GLU A 176 -17.515 -2.302 -6.073 1.00 1.62 O ATOM 2146 HA GLU A 176 -14.761 -1.532 -5.605 1.00 0.00 H ATOM 2147 HB2 GLU A 176 -14.077 -4.132 -5.551 1.00 0.00 H ATOM 2148 HB3 GLU A 176 -14.143 -3.824 -3.800 1.00 0.00 H ATOM 2149 HG2 GLU A 176 -16.263 -4.694 -4.664 1.00 0.00 H ATOM 2150 HG3 GLU A 176 -16.437 -3.056 -3.992 1.00 0.00 H ATOM 2151 H GLU A 176 -12.249 -2.964 -5.878 1.00 0.00 H ATOM 2152 N TYR A 177 -12.873 -1.772 -2.894 1.00 0.25 N ATOM 2153 CA TYR A 177 -12.610 -1.164 -1.593 1.00 0.26 C ATOM 2154 C TYR A 177 -12.071 0.251 -1.746 1.00 0.26 C ATOM 2155 O TYR A 177 -12.526 1.169 -1.063 1.00 0.28 O ATOM 2156 CB TYR A 177 -11.617 -2.017 -0.801 1.00 0.28 C ATOM 2157 CG TYR A 177 -12.266 -2.866 0.267 1.00 0.31 C ATOM 2158 CD1 TYR A 177 -12.729 -4.145 -0.020 1.00 1.24 C ATOM 2159 CD2 TYR A 177 -12.418 -2.390 1.563 1.00 1.12 C ATOM 2160 CE1 TYR A 177 -13.324 -4.924 0.954 1.00 1.31 C ATOM 2161 CE2 TYR A 177 -13.012 -3.163 2.543 1.00 1.16 C ATOM 2162 CZ TYR A 177 -13.463 -4.429 2.233 1.00 0.57 C ATOM 2163 OH TYR A 177 -14.055 -5.202 3.206 1.00 0.73 O ATOM 2164 HA TYR A 177 -13.554 -1.113 -1.050 1.00 0.00 H ATOM 2165 HB3 TYR A 177 -10.896 -1.353 -0.323 1.00 0.00 H ATOM 2166 HB2 TYR A 177 -11.097 -2.676 -1.496 1.00 0.00 H ATOM 2167 HD2 TYR A 177 -12.063 -1.390 1.811 1.00 0.00 H ATOM 2168 HE2 TYR A 177 -13.123 -2.774 3.555 1.00 0.00 H ATOM 2169 HE1 TYR A 177 -13.682 -5.925 0.712 1.00 0.00 H ATOM 2170 HD1 TYR A 177 -12.621 -4.540 -1.030 1.00 0.00 H ATOM 2171 HH TYR A 177 -14.318 -6.074 2.818 1.00 0.00 H ATOM 2172 H TYR A 177 -12.275 -2.560 -3.215 1.00 0.00 H ATOM 2173 N LEU A 178 -11.103 0.426 -2.641 1.00 0.25 N ATOM 2174 CA LEU A 178 -10.524 1.741 -2.865 1.00 0.28 C ATOM 2175 C LEU A 178 -11.636 2.761 -3.098 1.00 0.29 C ATOM 2176 O LEU A 178 -11.706 3.786 -2.432 1.00 0.31 O ATOM 2177 CB LEU A 178 -9.565 1.722 -4.055 1.00 0.29 C ATOM 2178 CG LEU A 178 -8.867 3.052 -4.339 1.00 0.40 C ATOM 2179 CD1 LEU A 178 -7.552 2.820 -5.064 1.00 0.53 C ATOM 2180 CD2 LEU A 178 -9.774 3.965 -5.150 1.00 0.64 C ATOM 2181 HA LEU A 178 -9.955 2.024 -1.979 1.00 0.00 H ATOM 2182 HB2 LEU A 178 -8.799 0.972 -3.861 1.00 0.00 H ATOM 2183 HB3 LEU A 178 -10.131 1.440 -4.943 1.00 0.00 H ATOM 2184 HG LEU A 178 -8.651 3.539 -3.388 1.00 0.00 H ATOM 2185 HD21 LEU A 178 -10.020 3.483 -6.096 1.00 0.00 H ATOM 2186 HD22 LEU A 178 -10.689 4.156 -4.590 1.00 0.00 H ATOM 2187 HD23 LEU A 178 -9.261 4.907 -5.343 1.00 0.00 H ATOM 2188 HD11 LEU A 178 -6.901 2.203 -4.444 1.00 0.00 H ATOM 2189 HD12 LEU A 178 -7.744 2.312 -6.009 1.00 0.00 H ATOM 2190 HD13 LEU A 178 -7.071 3.779 -5.257 1.00 0.00 H ATOM 2191 H LEU A 178 -10.756 -0.388 -3.188 1.00 0.00 H ATOM 2192 N ASN A 179 -12.522 2.468 -4.037 1.00 0.30 N ATOM 2193 CA ASN A 179 -13.624 3.372 -4.334 1.00 0.33 C ATOM 2194 C ASN A 179 -14.703 3.328 -3.255 1.00 0.35 C ATOM 2195 O ASN A 179 -15.389 4.320 -3.018 1.00 0.38 O ATOM 2196 CB ASN A 179 -14.236 3.034 -5.693 1.00 0.37 C ATOM 2197 CG ASN A 179 -15.706 2.678 -5.593 1.00 1.07 C ATOM 2198 OD1 ASN A 179 -16.549 3.539 -5.339 1.00 1.63 O ATOM 2199 ND2 ASN A 179 -16.023 1.404 -5.793 1.00 1.81 N ATOM 2200 HA ASN A 179 -13.217 4.383 -4.359 1.00 0.00 H ATOM 2201 HB2 ASN A 179 -14.129 3.897 -6.350 1.00 0.00 H ATOM 2202 HB3 ASN A 179 -13.699 2.186 -6.118 1.00 0.00 H ATOM 2203 HD22 ASN A 179 -15.278 0.710 -6.005 1.00 0.00 H ATOM 2204 HD21 ASN A 179 -17.016 1.100 -5.738 1.00 0.00 H ATOM 2205 H ASN A 179 -12.430 1.580 -4.570 1.00 0.00 H ATOM 2206 N ARG A 180 -14.865 2.182 -2.601 1.00 0.35 N ATOM 2207 CA ARG A 180 -15.880 2.064 -1.560 1.00 0.39 C ATOM 2208 C ARG A 180 -15.554 2.969 -0.369 1.00 0.45 C ATOM 2209 O ARG A 180 -16.450 3.351 0.383 1.00 0.70 O ATOM 2210 CB ARG A 180 -16.024 0.622 -1.061 1.00 0.39 C ATOM 2211 CG ARG A 180 -17.302 -0.064 -1.530 1.00 0.50 C ATOM 2212 CD ARG A 180 -17.305 -0.298 -3.032 1.00 0.98 C ATOM 2213 NE ARG A 180 -18.652 -0.536 -3.547 1.00 1.69 N ATOM 2214 CZ ARG A 180 -19.537 0.428 -3.797 1.00 2.22 C ATOM 2215 NH1 ARG A 180 -19.226 1.700 -3.577 1.00 2.50 N ATOM 2216 NH2 ARG A 180 -20.736 0.118 -4.268 1.00 3.07 N ATOM 2217 HA ARG A 180 -16.822 2.375 -2.011 1.00 0.00 H ATOM 2218 HB2 ARG A 180 -15.172 0.046 -1.422 1.00 0.00 H ATOM 2219 HB3 ARG A 180 -16.019 0.633 0.029 1.00 0.00 H ATOM 2220 HG2 ARG A 180 -17.392 -1.025 -1.024 1.00 0.00 H ATOM 2221 HG3 ARG A 180 -18.154 0.564 -1.270 1.00 0.00 H ATOM 2222 HD2 ARG A 180 -16.685 -1.166 -3.254 1.00 0.00 H ATOM 2223 HD3 ARG A 180 -16.889 0.580 -3.526 1.00 0.00 H ATOM 2224 HE ARG A 180 -18.937 -1.519 -3.730 1.00 0.00 H ATOM 2225 HH12 ARG A 180 -19.922 2.447 -3.774 1.00 0.00 H ATOM 2226 HH11 ARG A 180 -18.286 1.949 -3.207 1.00 0.00 H ATOM 2227 HH22 ARG A 180 -21.428 0.869 -4.464 1.00 0.00 H ATOM 2228 HH21 ARG A 180 -20.985 -0.877 -4.442 1.00 0.00 H ATOM 2229 H ARG A 180 -14.265 1.365 -2.833 1.00 0.00 H ATOM 2230 N HIS A 181 -14.272 3.300 -0.185 1.00 0.39 N ATOM 2231 CA HIS A 181 -13.868 4.146 0.939 1.00 0.48 C ATOM 2232 C HIS A 181 -13.022 5.343 0.507 1.00 0.41 C ATOM 2233 O HIS A 181 -13.342 6.482 0.846 1.00 0.40 O ATOM 2234 CB HIS A 181 -13.098 3.334 1.976 1.00 0.65 C ATOM 2235 CG HIS A 181 -12.355 4.195 2.946 1.00 0.70 C ATOM 2236 ND1 HIS A 181 -12.919 5.293 3.560 1.00 0.97 N ATOM 2237 CD2 HIS A 181 -11.081 4.129 3.395 1.00 0.62 C ATOM 2238 CE1 HIS A 181 -12.022 5.868 4.341 1.00 0.96 C ATOM 2239 NE2 HIS A 181 -10.900 5.180 4.258 1.00 0.73 N ATOM 2240 HA HIS A 181 -14.789 4.531 1.376 1.00 0.00 H ATOM 2241 HB2 HIS A 181 -13.804 2.714 2.529 1.00 0.00 H ATOM 2242 HB3 HIS A 181 -12.383 2.694 1.458 1.00 0.00 H ATOM 2243 HD2 HIS A 181 -10.337 3.381 3.122 1.00 0.00 H ATOM 2244 HE1 HIS A 181 -12.182 6.758 4.949 1.00 0.00 H ATOM 2245 H HIS A 181 -13.552 2.952 -0.850 1.00 0.00 H ATOM 2246 N LEU A 182 -11.924 5.091 -0.201 1.00 0.39 N ATOM 2247 CA LEU A 182 -11.038 6.177 -0.612 1.00 0.37 C ATOM 2248 C LEU A 182 -11.715 7.179 -1.542 1.00 0.39 C ATOM 2249 O LEU A 182 -11.691 8.378 -1.269 1.00 0.72 O ATOM 2250 CB LEU A 182 -9.748 5.660 -1.270 1.00 0.38 C ATOM 2251 CG LEU A 182 -8.708 5.080 -0.311 1.00 0.35 C ATOM 2252 CD1 LEU A 182 -9.379 4.231 0.751 1.00 0.44 C ATOM 2253 CD2 LEU A 182 -7.675 4.264 -1.075 1.00 0.53 C ATOM 2254 HA LEU A 182 -10.780 6.694 0.312 1.00 0.00 H ATOM 2255 HB2 LEU A 182 -10.022 4.880 -1.981 1.00 0.00 H ATOM 2256 HB3 LEU A 182 -9.287 6.491 -1.804 1.00 0.00 H ATOM 2257 HG LEU A 182 -8.196 5.906 0.183 1.00 0.00 H ATOM 2258 HD21 LEU A 182 -8.173 3.446 -1.596 1.00 0.00 H ATOM 2259 HD22 LEU A 182 -7.172 4.904 -1.799 1.00 0.00 H ATOM 2260 HD23 LEU A 182 -6.944 3.860 -0.375 1.00 0.00 H ATOM 2261 HD11 LEU A 182 -10.079 4.846 1.317 1.00 0.00 H ATOM 2262 HD12 LEU A 182 -9.917 3.412 0.273 1.00 0.00 H ATOM 2263 HD13 LEU A 182 -8.622 3.827 1.424 1.00 0.00 H ATOM 2264 H LEU A 182 -11.694 4.111 -0.464 1.00 0.00 H ATOM 2265 N HIS A 183 -12.290 6.694 -2.644 1.00 0.38 N ATOM 2266 CA HIS A 183 -12.948 7.571 -3.618 1.00 0.40 C ATOM 2267 C HIS A 183 -13.771 8.656 -2.931 1.00 0.37 C ATOM 2268 O HIS A 183 -13.795 9.804 -3.373 1.00 0.47 O ATOM 2269 CB HIS A 183 -13.850 6.759 -4.546 1.00 0.51 C ATOM 2270 CG HIS A 183 -14.778 7.600 -5.366 1.00 0.66 C ATOM 2271 ND1 HIS A 183 -14.407 8.804 -5.926 1.00 1.58 N ATOM 2272 CD2 HIS A 183 -16.071 7.406 -5.720 1.00 0.74 C ATOM 2273 CE1 HIS A 183 -15.431 9.314 -6.589 1.00 1.59 C ATOM 2274 NE2 HIS A 183 -16.451 8.484 -6.479 1.00 0.83 N ATOM 2275 HA HIS A 183 -12.164 8.052 -4.202 1.00 0.00 H ATOM 2276 HB2 HIS A 183 -13.219 6.182 -5.222 1.00 0.00 H ATOM 2277 HB3 HIS A 183 -14.447 6.079 -3.939 1.00 0.00 H ATOM 2278 HD2 HIS A 183 -16.694 6.552 -5.452 1.00 0.00 H ATOM 2279 HE1 HIS A 183 -15.432 10.258 -7.133 1.00 0.00 H ATOM 2280 H HIS A 183 -12.271 5.669 -2.817 1.00 0.00 H ATOM 2281 N THR A 184 -14.437 8.285 -1.843 1.00 0.37 N ATOM 2282 CA THR A 184 -15.253 9.227 -1.091 1.00 0.42 C ATOM 2283 C THR A 184 -14.374 10.268 -0.407 1.00 0.37 C ATOM 2284 O THR A 184 -14.672 11.462 -0.431 1.00 0.39 O ATOM 2285 CB THR A 184 -16.093 8.487 -0.048 1.00 0.54 C ATOM 2286 OG1 THR A 184 -15.887 7.089 -0.138 1.00 1.30 O ATOM 2287 CG2 THR A 184 -17.579 8.741 -0.186 1.00 1.07 C ATOM 2288 HA THR A 184 -15.920 9.735 -1.787 1.00 0.00 H ATOM 2289 HB THR A 184 -15.762 8.874 0.916 1.00 0.00 H ATOM 2290 HG1 THR A 184 -14.931 6.887 0.019 1.00 0.00 H ATOM 2291 HG23 THR A 184 -17.771 9.812 -0.121 1.00 0.00 H ATOM 2292 HG21 THR A 184 -17.922 8.367 -1.151 1.00 0.00 H ATOM 2293 HG22 THR A 184 -18.110 8.226 0.614 1.00 0.00 H ATOM 2294 H THR A 184 -14.374 7.298 -1.521 1.00 0.00 H ATOM 2295 N TRP A 185 -13.285 9.805 0.200 1.00 0.34 N ATOM 2296 CA TRP A 185 -12.354 10.692 0.886 1.00 0.34 C ATOM 2297 C TRP A 185 -11.575 11.537 -0.118 1.00 0.32 C ATOM 2298 O TRP A 185 -11.297 12.710 0.130 1.00 0.40 O ATOM 2299 CB TRP A 185 -11.386 9.881 1.748 1.00 0.36 C ATOM 2300 CG TRP A 185 -11.685 9.957 3.214 1.00 0.38 C ATOM 2301 CD1 TRP A 185 -12.426 9.074 3.945 1.00 0.43 C ATOM 2302 CD2 TRP A 185 -11.248 10.969 4.128 1.00 0.43 C ATOM 2303 NE1 TRP A 185 -12.476 9.475 5.258 1.00 0.49 N ATOM 2304 CE2 TRP A 185 -11.761 10.635 5.395 1.00 0.49 C ATOM 2305 CE3 TRP A 185 -10.472 12.124 3.997 1.00 0.46 C ATOM 2306 CZ2 TRP A 185 -11.524 11.417 6.524 1.00 0.58 C ATOM 2307 CZ3 TRP A 185 -10.237 12.898 5.117 1.00 0.55 C ATOM 2308 CH2 TRP A 185 -10.761 12.541 6.367 1.00 0.60 C ATOM 2309 HA TRP A 185 -12.929 11.358 1.529 1.00 0.00 H ATOM 2310 HB2 TRP A 185 -11.439 8.837 1.438 1.00 0.00 H ATOM 2311 HB3 TRP A 185 -10.377 10.257 1.581 1.00 0.00 H ATOM 2312 HE1 TRP A 185 -12.975 8.979 6.023 1.00 0.00 H ATOM 2313 HD1 TRP A 185 -12.908 8.181 3.545 1.00 0.00 H ATOM 2314 HZ2 TRP A 185 -11.932 11.143 7.497 1.00 0.00 H ATOM 2315 HH2 TRP A 185 -10.556 13.172 7.232 1.00 0.00 H ATOM 2316 HZ3 TRP A 185 -9.634 13.802 5.027 1.00 0.00 H ATOM 2317 HE3 TRP A 185 -10.060 12.409 3.029 1.00 0.00 H ATOM 2318 H TRP A 185 -13.093 8.783 0.185 1.00 0.00 H ATOM 2319 N ILE A 186 -11.219 10.934 -1.251 1.00 0.37 N ATOM 2320 CA ILE A 186 -10.467 11.641 -2.279 1.00 0.36 C ATOM 2321 C ILE A 186 -11.340 12.637 -3.038 1.00 0.38 C ATOM 2322 O ILE A 186 -10.972 13.802 -3.189 1.00 0.39 O ATOM 2323 CB ILE A 186 -9.761 10.673 -3.261 1.00 0.38 C ATOM 2324 CG1 ILE A 186 -10.675 10.280 -4.422 1.00 0.43 C ATOM 2325 CG2 ILE A 186 -9.282 9.434 -2.521 1.00 0.39 C ATOM 2326 CD1 ILE A 186 -10.057 9.269 -5.363 1.00 0.47 C ATOM 2327 HA ILE A 186 -9.692 12.202 -1.757 1.00 0.00 H ATOM 2328 HB ILE A 186 -8.901 11.194 -3.682 1.00 0.00 H ATOM 2329 HG12 ILE A 186 -11.591 9.855 -4.011 1.00 0.00 H ATOM 2330 HG13 ILE A 186 -10.916 11.178 -4.991 1.00 0.00 H ATOM 2331 HD11 ILE A 186 -9.145 9.684 -5.792 1.00 0.00 H ATOM 2332 HD12 ILE A 186 -9.820 8.359 -4.812 1.00 0.00 H ATOM 2333 HD13 ILE A 186 -10.763 9.038 -6.161 1.00 0.00 H ATOM 2334 HG21 ILE A 186 -8.580 9.727 -1.741 1.00 0.00 H ATOM 2335 HG22 ILE A 186 -10.136 8.928 -2.071 1.00 0.00 H ATOM 2336 HG23 ILE A 186 -8.788 8.762 -3.222 1.00 0.00 H ATOM 2337 H ILE A 186 -11.483 9.940 -1.405 1.00 0.00 H ATOM 2338 N GLN A 187 -12.495 12.185 -3.509 1.00 0.43 N ATOM 2339 CA GLN A 187 -13.406 13.052 -4.238 1.00 0.50 C ATOM 2340 C GLN A 187 -13.903 14.181 -3.341 1.00 0.54 C ATOM 2341 O GLN A 187 -13.901 15.349 -3.733 1.00 0.68 O ATOM 2342 CB GLN A 187 -14.592 12.248 -4.773 1.00 0.62 C ATOM 2343 CG GLN A 187 -15.247 12.870 -5.996 1.00 1.25 C ATOM 2344 CD GLN A 187 -15.665 14.308 -5.765 1.00 1.94 C ATOM 2345 OE1 GLN A 187 -15.258 15.210 -6.497 1.00 2.52 O ATOM 2346 NE2 GLN A 187 -16.483 14.530 -4.742 1.00 2.73 N ATOM 2347 HA GLN A 187 -12.866 13.486 -5.079 1.00 0.00 H ATOM 2348 HB2 GLN A 187 -14.241 11.251 -5.039 1.00 0.00 H ATOM 2349 HB3 GLN A 187 -15.340 12.170 -3.984 1.00 0.00 H ATOM 2350 HG2 GLN A 187 -14.539 12.841 -6.824 1.00 0.00 H ATOM 2351 HG3 GLN A 187 -16.131 12.286 -6.254 1.00 0.00 H ATOM 2352 HE22 GLN A 187 -16.802 13.737 -4.150 1.00 0.00 H ATOM 2353 HE21 GLN A 187 -16.805 15.497 -4.534 1.00 0.00 H ATOM 2354 H GLN A 187 -12.754 11.190 -3.353 1.00 0.00 H ATOM 2355 N ASP A 188 -14.330 13.819 -2.134 1.00 0.56 N ATOM 2356 CA ASP A 188 -14.834 14.792 -1.171 1.00 0.64 C ATOM 2357 C ASP A 188 -13.771 15.839 -0.850 1.00 0.68 C ATOM 2358 O ASP A 188 -14.091 16.989 -0.546 1.00 0.79 O ATOM 2359 CB ASP A 188 -15.279 14.088 0.112 1.00 0.74 C ATOM 2360 CG ASP A 188 -15.762 15.063 1.168 1.00 1.32 C ATOM 2361 OD1 ASP A 188 -16.945 15.460 1.113 1.00 2.21 O ATOM 2362 OD2 ASP A 188 -14.958 15.429 2.051 1.00 1.69 O ATOM 2363 HA ASP A 188 -15.692 15.296 -1.615 1.00 0.00 H ATOM 2364 HB2 ASP A 188 -16.091 13.401 -0.128 1.00 0.00 H ATOM 2365 HB3 ASP A 188 -14.436 13.526 0.514 1.00 0.00 H ATOM 2366 H ASP A 188 -14.304 12.814 -1.869 1.00 0.00 H ATOM 2367 N ASN A 189 -12.506 15.435 -0.917 1.00 0.71 N ATOM 2368 CA ASN A 189 -11.398 16.339 -0.632 1.00 0.94 C ATOM 2369 C ASN A 189 -10.605 16.650 -1.897 1.00 0.82 C ATOM 2370 O ASN A 189 -9.383 16.500 -1.929 1.00 1.50 O ATOM 2371 CB ASN A 189 -10.474 15.730 0.425 1.00 1.30 C ATOM 2372 CG ASN A 189 -9.640 16.777 1.137 1.00 1.81 C ATOM 2373 OD1 ASN A 189 -10.115 17.876 1.422 1.00 2.46 O ATOM 2374 ND2 ASN A 189 -8.390 16.440 1.427 1.00 2.15 N ATOM 2375 HA ASN A 189 -11.815 17.271 -0.249 1.00 0.00 H ATOM 2376 HB2 ASN A 189 -11.083 15.206 1.162 1.00 0.00 H ATOM 2377 HB3 ASN A 189 -9.805 15.021 -0.062 1.00 0.00 H ATOM 2378 HD22 ASN A 189 -8.031 15.499 1.167 1.00 0.00 H ATOM 2379 HD21 ASN A 189 -7.769 17.117 1.915 1.00 0.00 H ATOM 2380 H ASN A 189 -12.302 14.450 -1.179 1.00 0.00 H ATOM 2381 N GLY A 190 -11.307 17.086 -2.938 1.00 0.84 N ATOM 2382 CA GLY A 190 -10.650 17.413 -4.190 1.00 1.00 C ATOM 2383 C GLY A 190 -10.780 16.309 -5.222 1.00 1.03 C ATOM 2384 O GLY A 190 -11.722 16.298 -6.013 1.00 1.79 O ATOM 2385 HA3 GLY A 190 -9.592 17.586 -3.995 1.00 0.00 H ATOM 2386 HA2 GLY A 190 -11.097 18.322 -4.592 1.00 0.00 H ATOM 2387 H GLY A 190 -12.338 17.194 -2.854 1.00 0.00 H ATOM 2388 N GLY A 191 -9.830 15.381 -5.213 1.00 0.58 N ATOM 2389 CA GLY A 191 -9.855 14.281 -6.159 1.00 0.54 C ATOM 2390 C GLY A 191 -8.470 13.732 -6.442 1.00 0.48 C ATOM 2391 O GLY A 191 -7.533 13.974 -5.680 1.00 0.55 O ATOM 2392 HA3 GLY A 191 -10.291 14.633 -7.094 1.00 0.00 H ATOM 2393 HA2 GLY A 191 -10.472 13.481 -5.750 1.00 0.00 H ATOM 2394 H GLY A 191 -9.058 15.444 -4.519 1.00 0.00 H ATOM 2395 N TRP A 192 -8.339 12.994 -7.538 1.00 0.39 N ATOM 2396 CA TRP A 192 -7.057 12.412 -7.918 1.00 0.37 C ATOM 2397 C TRP A 192 -6.003 13.497 -8.113 1.00 0.35 C ATOM 2398 O TRP A 192 -4.835 13.313 -7.771 1.00 0.37 O ATOM 2399 CB TRP A 192 -7.205 11.600 -9.205 1.00 0.37 C ATOM 2400 CG TRP A 192 -7.735 10.217 -8.982 1.00 0.40 C ATOM 2401 CD1 TRP A 192 -8.287 9.725 -7.834 1.00 0.48 C ATOM 2402 CD2 TRP A 192 -7.762 9.147 -9.932 1.00 0.42 C ATOM 2403 NE1 TRP A 192 -8.657 8.414 -8.014 1.00 0.54 N ATOM 2404 CE2 TRP A 192 -8.345 8.037 -9.294 1.00 0.50 C ATOM 2405 CE3 TRP A 192 -7.351 9.022 -11.262 1.00 0.45 C ATOM 2406 CZ2 TRP A 192 -8.527 6.817 -9.942 1.00 0.59 C ATOM 2407 CZ3 TRP A 192 -7.532 7.812 -11.904 1.00 0.55 C ATOM 2408 CH2 TRP A 192 -8.115 6.724 -11.243 1.00 0.61 C ATOM 2409 HA TRP A 192 -6.733 11.753 -7.112 1.00 0.00 H ATOM 2410 HB2 TRP A 192 -7.888 12.128 -9.870 1.00 0.00 H ATOM 2411 HB3 TRP A 192 -6.226 11.522 -9.679 1.00 0.00 H ATOM 2412 HE1 TRP A 192 -9.101 7.807 -7.296 1.00 0.00 H ATOM 2413 HD1 TRP A 192 -8.415 10.289 -6.910 1.00 0.00 H ATOM 2414 HZ2 TRP A 192 -8.981 5.968 -9.431 1.00 0.00 H ATOM 2415 HH2 TRP A 192 -8.243 5.782 -11.777 1.00 0.00 H ATOM 2416 HZ3 TRP A 192 -7.216 7.703 -12.941 1.00 0.00 H ATOM 2417 HE3 TRP A 192 -6.896 9.864 -11.783 1.00 0.00 H ATOM 2418 H TRP A 192 -9.171 12.827 -8.140 1.00 0.00 H ATOM 2419 N ASP A 193 -6.424 14.627 -8.672 1.00 0.36 N ATOM 2420 CA ASP A 193 -5.520 15.743 -8.923 1.00 0.37 C ATOM 2421 C ASP A 193 -5.062 16.397 -7.620 1.00 0.34 C ATOM 2422 O ASP A 193 -3.995 17.002 -7.564 1.00 0.37 O ATOM 2423 CB ASP A 193 -6.201 16.784 -9.813 1.00 0.42 C ATOM 2424 CG ASP A 193 -7.428 17.390 -9.160 1.00 1.25 C ATOM 2425 OD1 ASP A 193 -8.375 16.633 -8.859 1.00 1.93 O ATOM 2426 OD2 ASP A 193 -7.441 18.621 -8.948 1.00 2.08 O ATOM 2427 HA ASP A 193 -4.640 15.349 -9.432 1.00 0.00 H ATOM 2428 HB2 ASP A 193 -5.489 17.581 -10.028 1.00 0.00 H ATOM 2429 HB3 ASP A 193 -6.501 16.305 -10.745 1.00 0.00 H ATOM 2430 H ASP A 193 -7.425 14.718 -8.938 1.00 0.00 H ATOM 2431 N ALA A 194 -5.870 16.279 -6.574 1.00 0.31 N ATOM 2432 CA ALA A 194 -5.526 16.869 -5.285 1.00 0.30 C ATOM 2433 C ALA A 194 -4.179 16.351 -4.790 1.00 0.26 C ATOM 2434 O ALA A 194 -3.354 17.114 -4.290 1.00 0.29 O ATOM 2435 CB ALA A 194 -6.615 16.577 -4.263 1.00 0.34 C ATOM 2436 HA ALA A 194 -5.447 17.948 -5.415 1.00 0.00 H ATOM 2437 HB1 ALA A 194 -7.558 17.000 -4.608 1.00 0.00 H ATOM 2438 HB2 ALA A 194 -6.721 15.499 -4.145 1.00 0.00 H ATOM 2439 HB3 ALA A 194 -6.343 17.024 -3.307 1.00 0.00 H ATOM 2440 H ALA A 194 -6.764 15.757 -6.675 1.00 0.00 H ATOM 2441 N PHE A 195 -3.970 15.046 -4.927 1.00 0.24 N ATOM 2442 CA PHE A 195 -2.728 14.416 -4.491 1.00 0.27 C ATOM 2443 C PHE A 195 -1.551 14.819 -5.370 1.00 0.34 C ATOM 2444 O PHE A 195 -0.455 15.072 -4.870 1.00 0.47 O ATOM 2445 CB PHE A 195 -2.878 12.894 -4.496 1.00 0.26 C ATOM 2446 CG PHE A 195 -1.583 12.166 -4.724 1.00 0.27 C ATOM 2447 CD1 PHE A 195 -0.517 12.336 -3.857 1.00 1.15 C ATOM 2448 CD2 PHE A 195 -1.434 11.314 -5.806 1.00 1.18 C ATOM 2449 CE1 PHE A 195 0.676 11.670 -4.065 1.00 1.18 C ATOM 2450 CE2 PHE A 195 -0.244 10.645 -6.019 1.00 1.18 C ATOM 2451 CZ PHE A 195 0.813 10.823 -5.147 1.00 0.38 C ATOM 2452 HA PHE A 195 -2.524 14.761 -3.477 1.00 0.00 H ATOM 2453 HB2 PHE A 195 -3.284 12.584 -3.533 1.00 0.00 H ATOM 2454 HB3 PHE A 195 -3.574 12.618 -5.288 1.00 0.00 H ATOM 2455 HD2 PHE A 195 -2.265 11.170 -6.497 1.00 0.00 H ATOM 2456 HE2 PHE A 195 -0.139 9.977 -6.874 1.00 0.00 H ATOM 2457 HZ PHE A 195 1.753 10.296 -5.313 1.00 0.00 H ATOM 2458 HE1 PHE A 195 1.508 11.813 -3.376 1.00 0.00 H ATOM 2459 HD1 PHE A 195 -0.620 13.003 -3.001 1.00 0.00 H ATOM 2460 H PHE A 195 -4.712 14.457 -5.357 1.00 0.00 H ATOM 2461 N VAL A 196 -1.772 14.871 -6.680 1.00 0.36 N ATOM 2462 CA VAL A 196 -0.702 15.238 -7.600 1.00 0.49 C ATOM 2463 C VAL A 196 -0.231 16.665 -7.340 1.00 0.50 C ATOM 2464 O VAL A 196 0.948 16.977 -7.501 1.00 0.62 O ATOM 2465 CB VAL A 196 -1.098 15.083 -9.089 1.00 0.59 C ATOM 2466 CG1 VAL A 196 -2.064 13.924 -9.282 1.00 1.02 C ATOM 2467 CG2 VAL A 196 -1.679 16.376 -9.641 1.00 0.84 C ATOM 2468 HA VAL A 196 0.112 14.539 -7.408 1.00 0.00 H ATOM 2469 HB VAL A 196 -0.191 14.859 -9.651 1.00 0.00 H ATOM 2470 HG11 VAL A 196 -1.592 13.000 -8.949 1.00 0.00 H ATOM 2471 HG12 VAL A 196 -2.967 14.104 -8.698 1.00 0.00 H ATOM 2472 HG13 VAL A 196 -2.323 13.841 -10.337 1.00 0.00 H ATOM 2473 HG21 VAL A 196 -2.568 16.646 -9.070 1.00 0.00 H ATOM 2474 HG22 VAL A 196 -0.937 17.170 -9.559 1.00 0.00 H ATOM 2475 HG23 VAL A 196 -1.947 16.235 -10.688 1.00 0.00 H ATOM 2476 H VAL A 196 -2.717 14.648 -7.052 1.00 0.00 H ATOM 2477 N GLU A 197 -1.154 17.524 -6.916 1.00 0.43 N ATOM 2478 CA GLU A 197 -0.820 18.910 -6.610 1.00 0.49 C ATOM 2479 C GLU A 197 0.059 18.968 -5.365 1.00 0.51 C ATOM 2480 O GLU A 197 1.024 19.730 -5.305 1.00 0.56 O ATOM 2481 CB GLU A 197 -2.091 19.733 -6.397 1.00 0.57 C ATOM 2482 CG GLU A 197 -2.509 20.535 -7.618 1.00 1.09 C ATOM 2483 CD GLU A 197 -3.848 21.222 -7.436 1.00 1.48 C ATOM 2484 OE1 GLU A 197 -4.866 20.511 -7.299 1.00 2.04 O ATOM 2485 OE2 GLU A 197 -3.880 22.470 -7.430 1.00 2.06 O ATOM 2486 HA GLU A 197 -0.273 19.333 -7.453 1.00 0.00 H ATOM 2487 HB2 GLU A 197 -2.902 19.053 -6.137 1.00 0.00 H ATOM 2488 HB3 GLU A 197 -1.920 20.425 -5.572 1.00 0.00 H ATOM 2489 HG2 GLU A 197 -1.751 21.294 -7.814 1.00 0.00 H ATOM 2490 HG3 GLU A 197 -2.576 19.861 -8.472 1.00 0.00 H ATOM 2491 H GLU A 197 -2.135 17.200 -6.800 1.00 0.00 H ATOM 2492 N LEU A 198 -0.281 18.144 -4.375 1.00 0.51 N ATOM 2493 CA LEU A 198 0.478 18.082 -3.131 1.00 0.59 C ATOM 2494 C LEU A 198 1.850 17.468 -3.383 1.00 0.64 C ATOM 2495 O LEU A 198 2.862 17.974 -2.897 1.00 0.74 O ATOM 2496 CB LEU A 198 -0.279 17.262 -2.084 1.00 0.63 C ATOM 2497 CG LEU A 198 -1.109 18.083 -1.095 1.00 0.82 C ATOM 2498 CD1 LEU A 198 -2.459 18.438 -1.698 1.00 0.84 C ATOM 2499 CD2 LEU A 198 -1.289 17.320 0.208 1.00 1.31 C ATOM 2500 HA LEU A 198 0.608 19.096 -2.753 1.00 0.00 H ATOM 2501 HB2 LEU A 198 -0.951 16.583 -2.608 1.00 0.00 H ATOM 2502 HB3 LEU A 198 0.450 16.684 -1.516 1.00 0.00 H ATOM 2503 HG LEU A 198 -0.575 19.009 -0.881 1.00 0.00 H ATOM 2504 HD21 LEU A 198 -1.802 16.379 0.009 1.00 0.00 H ATOM 2505 HD22 LEU A 198 -0.312 17.117 0.647 1.00 0.00 H ATOM 2506 HD23 LEU A 198 -1.882 17.919 0.899 1.00 0.00 H ATOM 2507 HD11 LEU A 198 -2.308 19.023 -2.605 1.00 0.00 H ATOM 2508 HD12 LEU A 198 -2.999 17.523 -1.940 1.00 0.00 H ATOM 2509 HD13 LEU A 198 -3.034 19.022 -0.979 1.00 0.00 H ATOM 2510 H LEU A 198 -1.111 17.528 -4.492 1.00 0.00 H ATOM 2511 N TYR A 199 1.885 16.377 -4.155 1.00 0.63 N ATOM 2512 CA TYR A 199 3.149 15.725 -4.464 1.00 0.76 C ATOM 2513 C TYR A 199 3.552 15.981 -5.908 1.00 0.94 C ATOM 2514 O TYR A 199 3.847 15.064 -6.672 1.00 1.76 O ATOM 2515 CB TYR A 199 3.122 14.261 -4.043 1.00 0.88 C ATOM 2516 CG TYR A 199 3.343 14.164 -2.545 1.00 0.79 C ATOM 2517 CD1 TYR A 199 4.629 14.184 -2.015 1.00 1.42 C ATOM 2518 CD2 TYR A 199 2.271 14.133 -1.656 1.00 1.42 C ATOM 2519 CE1 TYR A 199 4.840 14.160 -0.646 1.00 1.43 C ATOM 2520 CE2 TYR A 199 2.478 14.124 -0.288 1.00 1.50 C ATOM 2521 CZ TYR A 199 3.762 14.135 0.209 1.00 0.93 C ATOM 2522 OH TYR A 199 3.969 14.125 1.569 1.00 1.11 O ATOM 2523 HA TYR A 199 3.949 16.169 -3.871 1.00 0.00 H ATOM 2524 HB3 TYR A 199 3.911 13.718 -4.563 1.00 0.00 H ATOM 2525 HB2 TYR A 199 2.155 13.827 -4.297 1.00 0.00 H ATOM 2526 HD2 TYR A 199 1.253 14.116 -2.044 1.00 0.00 H ATOM 2527 HE2 TYR A 199 1.628 14.108 0.394 1.00 0.00 H ATOM 2528 HE1 TYR A 199 5.855 14.161 -0.248 1.00 0.00 H ATOM 2529 HD1 TYR A 199 5.485 14.219 -2.688 1.00 0.00 H ATOM 2530 HH TYR A 199 4.942 14.135 1.754 1.00 0.00 H ATOM 2531 H TYR A 199 0.999 15.990 -4.539 1.00 0.00 H ATOM 2532 N GLY A 200 3.585 17.286 -6.238 1.00 0.72 N ATOM 2533 CA GLY A 200 3.985 17.748 -7.558 1.00 0.78 C ATOM 2534 C GLY A 200 5.483 17.583 -7.745 1.00 1.22 C ATOM 2535 O GLY A 200 6.260 18.284 -7.096 1.00 1.90 O ATOM 2536 HA3 GLY A 200 3.723 18.801 -7.665 1.00 0.00 H ATOM 2537 HA2 GLY A 200 3.462 17.166 -8.316 1.00 0.00 H ATOM 2538 H GLY A 200 3.314 17.990 -5.522 1.00 0.00 H ATOM 2539 N PRO A 201 5.932 16.651 -8.608 1.00 1.45 N ATOM 2540 CA PRO A 201 7.360 16.413 -8.829 1.00 2.09 C ATOM 2541 C PRO A 201 8.157 17.704 -8.970 1.00 2.36 C ATOM 2542 O PRO A 201 7.599 18.755 -9.286 1.00 2.87 O ATOM 2543 CB PRO A 201 7.379 15.629 -10.138 1.00 2.52 C ATOM 2544 CG PRO A 201 6.092 14.878 -10.141 1.00 2.45 C ATOM 2545 CD PRO A 201 5.093 15.749 -9.422 1.00 1.81 C ATOM 2546 HA PRO A 201 7.821 15.892 -7.990 1.00 0.00 H ATOM 2547 HD3 PRO A 201 4.489 16.315 -10.132 1.00 0.00 H ATOM 2548 HD2 PRO A 201 4.440 15.149 -8.788 1.00 0.00 H ATOM 2549 HG3 PRO A 201 6.208 13.927 -9.621 1.00 0.00 H ATOM 2550 HG2 PRO A 201 5.765 14.693 -11.164 1.00 0.00 H ATOM 2551 HB2 PRO A 201 7.433 16.305 -10.992 1.00 0.00 H ATOM 2552 HB3 PRO A 201 8.226 14.943 -10.165 1.00 0.00 H ATOM 2553 N SER A 202 9.465 17.613 -8.735 1.00 2.78 N ATOM 2554 CA SER A 202 10.343 18.773 -8.841 1.00 3.60 C ATOM 2555 C SER A 202 10.065 19.527 -10.136 1.00 3.70 C ATOM 2556 O SER A 202 10.542 19.142 -11.205 1.00 4.30 O ATOM 2557 CB SER A 202 11.809 18.337 -8.791 1.00 4.35 C ATOM 2558 OG SER A 202 12.093 17.385 -9.801 1.00 5.09 O ATOM 2559 HA SER A 202 10.146 19.436 -7.998 1.00 0.00 H ATOM 2560 HB2 SER A 202 12.016 17.895 -7.816 1.00 0.00 H ATOM 2561 HB3 SER A 202 12.445 19.210 -8.935 1.00 0.00 H ATOM 2562 HG SER A 202 11.911 17.783 -10.689 1.00 0.00 H ATOM 2563 H SER A 202 9.870 16.693 -8.470 1.00 0.00 H ATOM 2564 N MET A 203 9.282 20.596 -10.020 1.00 3.57 N ATOM 2565 CA MET A 203 8.909 21.434 -11.158 1.00 4.08 C ATOM 2566 C MET A 203 7.722 20.862 -11.926 1.00 3.98 C ATOM 2567 O MET A 203 6.595 21.334 -11.775 1.00 4.70 O ATOM 2568 CB MET A 203 10.100 21.670 -12.097 1.00 4.52 C ATOM 2569 CG MET A 203 10.349 23.139 -12.398 1.00 5.43 C ATOM 2570 SD MET A 203 11.555 23.384 -13.715 1.00 6.00 S ATOM 2571 CE MET A 203 10.709 24.597 -14.726 1.00 6.19 C ATOM 2572 HA MET A 203 8.603 22.397 -10.750 1.00 0.00 H ATOM 2573 HB2 MET A 203 10.995 21.256 -11.632 1.00 0.00 H ATOM 2574 HB3 MET A 203 9.908 21.152 -13.037 1.00 0.00 H ATOM 2575 HG2 MET A 203 10.717 23.623 -11.493 1.00 0.00 H ATOM 2576 HG3 MET A 203 9.407 23.599 -12.697 1.00 0.00 H ATOM 2577 HE1 MET A 203 9.762 24.183 -15.072 1.00 0.00 H ATOM 2578 HE2 MET A 203 10.520 25.493 -14.135 1.00 0.00 H ATOM 2579 HE3 MET A 203 11.332 24.851 -15.584 1.00 0.00 H ATOM 2580 H MET A 203 8.919 20.847 -9.078 1.00 0.00 H ATOM 2581 N ARG A 204 7.968 19.854 -12.752 1.00 3.48 N ATOM 2582 CA ARG A 204 6.901 19.246 -13.535 1.00 4.02 C ATOM 2583 C ARG A 204 5.750 18.807 -12.636 1.00 4.54 C ATOM 2584 O ARG A 204 5.893 17.769 -11.957 1.00 4.96 O ATOM 2585 CB ARG A 204 7.436 18.048 -14.321 1.00 4.30 C ATOM 2586 CG ARG A 204 6.413 17.428 -15.258 1.00 4.81 C ATOM 2587 CD ARG A 204 7.057 16.956 -16.551 1.00 5.35 C ATOM 2588 NE ARG A 204 7.265 18.055 -17.492 1.00 6.08 N ATOM 2589 CZ ARG A 204 6.277 18.708 -18.101 1.00 6.79 C ATOM 2590 NH1 ARG A 204 5.010 18.380 -17.877 1.00 6.92 N ATOM 2591 NH2 ARG A 204 6.558 19.696 -18.941 1.00 7.63 N ATOM 2592 HA ARG A 204 6.527 19.993 -14.235 1.00 0.00 H ATOM 2593 OXT ARG A 204 4.714 19.506 -12.619 1.00 4.95 O ATOM 2594 HB2 ARG A 204 8.290 18.378 -14.913 1.00 0.00 H ATOM 2595 HB3 ARG A 204 7.759 17.287 -13.611 1.00 0.00 H ATOM 2596 HG2 ARG A 204 5.948 16.576 -14.762 1.00 0.00 H ATOM 2597 HG3 ARG A 204 5.651 18.171 -15.492 1.00 0.00 H ATOM 2598 HD2 ARG A 204 6.410 16.212 -17.016 1.00 0.00 H ATOM 2599 HD3 ARG A 204 8.021 16.503 -16.320 1.00 0.00 H ATOM 2600 HE ARG A 204 8.243 18.344 -17.698 1.00 0.00 H ATOM 2601 HH12 ARG A 204 4.246 18.897 -18.358 1.00 0.00 H ATOM 2602 HH11 ARG A 204 4.781 17.606 -17.221 1.00 0.00 H ATOM 2603 HH22 ARG A 204 5.788 20.208 -19.418 1.00 0.00 H ATOM 2604 HH21 ARG A 204 7.548 19.959 -19.122 1.00 0.00 H ATOM 2605 H ARG A 204 8.939 19.492 -12.842 1.00 0.00 H TER 2606 ARG A 204 HETATM 2607 C1 LIU A 1 3.744 1.025 6.570 1.00 -0.03 C HETATM 2608 C2 LIU A 1 2.589 0.061 6.182 1.00 -0.03 C HETATM 2609 C3 LIU A 1 1.502 0.879 5.426 1.00 -0.03 C HETATM 2610 C4 LIU A 1 1.079 2.198 6.120 1.00 0.03 C HETATM 2611 N5 LIU A 1 2.260 3.061 6.456 1.00 -0.31 N HETATM 2612 C6 LIU A 1 3.294 2.331 7.265 1.00 0.03 C HETATM 2613 H7 LIU A 1 4.169 2.984 7.398 1.00 0.05 H HETATM 2614 H8 LIU A 1 2.868 2.083 8.248 1.00 0.05 H HETATM 2615 C9 LIU A 1 2.400 4.491 6.056 1.00 0.05 C HETATM 2616 C10 LIU A 1 3.661 5.019 5.753 1.00 -0.04 C HETATM 2617 C11 LIU A 1 3.815 6.349 5.384 1.00 -0.05 C HETATM 2618 C12 LIU A 1 2.711 7.217 5.303 1.00 0.04 C HETATM 2619 C13 LIU A 1 1.437 6.689 5.606 1.00 -0.05 C HETATM 2620 C14 LIU A 1 1.287 5.351 5.976 1.00 -0.04 C HETATM 2621 H18 LIU A 1 0.299 4.968 6.205 1.00 0.05 H HETATM 2622 H17 LIU A 1 0.565 7.330 5.551 1.00 0.06 H HETATM 2623 C15 LIU A 1 2.996 8.665 4.887 1.00 0.22 C HETATM 2624 O16 LIU A 1 4.130 9.061 4.644 1.00 -0.39 O HETATM 2625 N17 LIU A 1 2.025 9.571 4.759 1.00 -0.16 N HETATM 2626 S18 LIU A 1 2.311 11.150 4.188 1.00 0.09 S HETATM 2627 C19 LIU A 1 3.171 11.127 2.647 1.00 0.11 C HETATM 2628 C20 LIU A 1 2.453 11.122 1.456 1.00 -0.00 C HETATM 2629 C21 LIU A 1 3.125 11.074 0.222 1.00 0.22 C HETATM 2630 C22 LIU A 1 4.553 11.078 0.214 1.00 0.08 C HETATM 2631 C23 LIU A 1 5.235 11.080 1.440 1.00 -0.03 C HETATM 2632 C24 LIU A 1 4.553 11.123 2.642 1.00 -0.04 C HETATM 2633 H22 LIU A 1 5.100 11.153 3.577 1.00 0.06 H HETATM 2634 H21 LIU A 1 6.319 11.047 1.445 1.00 0.05 H HETATM 2635 N25 LIU A 1 5.278 11.041 -1.083 1.00 -0.31 N HETATM 2636 C26 LIU A 1 6.693 10.996 -1.558 1.00 0.05 C HETATM 2637 C27 LIU A 1 7.131 9.542 -1.877 1.00 0.03 C HETATM 2638 S28 LIU A 1 7.546 8.524 -0.415 1.00 -0.10 S HETATM 2639 C29 LIU A 1 6.076 7.979 0.359 1.00 0.02 C HETATM 2640 C30 LIU A 1 6.127 7.655 1.718 1.00 -0.05 C HETATM 2641 C31 LIU A 1 4.940 7.380 2.395 1.00 -0.07 C HETATM 2642 C32 LIU A 1 3.720 7.400 1.714 1.00 -0.07 C HETATM 2643 C33 LIU A 1 3.687 7.690 0.344 1.00 -0.07 C HETATM 2644 C34 LIU A 1 4.870 7.957 -0.345 1.00 -0.05 C HETATM 2645 H30 LIU A 1 4.854 8.145 -1.413 1.00 0.06 H HETATM 2646 H29 LIU A 1 2.739 7.707 -0.182 1.00 0.06 H HETATM 2647 H28 LIU A 1 2.799 7.191 2.246 1.00 0.06 H HETATM 2648 H27 LIU A 1 4.963 7.150 3.454 1.00 0.06 H HETATM 2649 H26 LIU A 1 7.077 7.618 2.238 1.00 0.06 H HETATM 2650 H24 LIU A 1 8.019 9.587 -2.525 1.00 0.04 H HETATM 2651 H25 LIU A 1 6.309 9.048 -2.415 1.00 0.04 H HETATM 2652 C40 LIU A 1 6.704 11.838 -2.834 1.00 -0.04 C HETATM 2653 H31 LIU A 1 7.721 11.857 -3.252 1.00 0.03 H HETATM 2654 H32 LIU A 1 6.386 12.864 -2.599 1.00 0.03 H HETATM 2655 H33 LIU A 1 6.013 11.399 -3.569 1.00 0.03 H HETATM 2656 C41 LIU A 1 7.678 11.689 -0.600 1.00 -0.04 C HETATM 2657 H34 LIU A 1 8.697 11.619 -1.008 1.00 0.03 H HETATM 2658 H35 LIU A 1 7.642 11.196 0.383 1.00 0.03 H HETATM 2659 H36 LIU A 1 7.399 12.747 -0.489 1.00 0.03 H HETATM 2660 H23 LIU A 1 4.621 11.049 -1.876 1.00 0.18 H HETATM 2661 N35 LIU A 1 2.242 11.015 -1.015 1.00 0.31 N HETATM 2662 O36 LIU A 1 2.548 10.344 -1.992 1.00 0.17 O HETATM 2663 O37 LIU A 1 1.193 11.635 -1.087 1.00 0.17 O HETATM 2664 H20 LIU A 1 1.370 11.155 1.479 1.00 0.07 H HETATM 2665 O38 LIU A 1 3.106 11.950 5.314 1.00 -0.15 O HETATM 2666 O39 LIU A 1 0.833 11.705 4.017 1.00 -0.15 O HETATM 2667 H19 LIU A 1 1.092 9.313 5.008 1.00 0.21 H HETATM 2668 H16 LIU A 1 4.805 6.726 5.154 1.00 0.06 H HETATM 2669 H15 LIU A 1 4.533 4.378 5.808 1.00 0.05 H HETATM 2670 H5 LIU A 1 0.542 1.954 7.048 1.00 0.05 H HETATM 2671 H6 LIU A 1 0.412 2.756 5.446 1.00 0.05 H HETATM 2672 H3 LIU A 1 0.609 0.246 5.322 1.00 0.03 H HETATM 2673 H4 LIU A 1 1.893 1.128 4.429 1.00 0.03 H HETATM 2674 C7 LIU A 1 3.133 -1.050 5.262 1.00 -0.06 C HETATM 2675 H9 LIU A 1 3.901 -1.627 5.798 1.00 0.02 H HETATM 2676 H10 LIU A 1 3.576 -0.597 4.363 1.00 0.02 H HETATM 2677 H11 LIU A 1 2.310 -1.719 4.969 1.00 0.02 H HETATM 2678 C8 LIU A 1 2.003 -0.632 7.430 1.00 -0.06 C HETATM 2679 H12 LIU A 1 1.602 0.128 8.117 1.00 0.02 H HETATM 2680 H13 LIU A 1 2.794 -1.204 7.937 1.00 0.02 H HETATM 2681 H14 LIU A 1 1.196 -1.314 7.125 1.00 0.02 H HETATM 2682 H1 LIU A 1 4.287 1.296 5.652 1.00 0.03 H HETATM 2683 H2 LIU A 1 4.421 0.490 7.252 1.00 0.03 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 2607 2608 2612 2682 2683 CONECT 2608 2607 2609 2674 2678 CONECT 2609 2608 2610 2672 2673 CONECT 2610 2609 2611 2670 2671 CONECT 2611 2610 2612 2615 CONECT 2612 2607 2611 2613 2614 CONECT 2613 2612 CONECT 2614 2612 CONECT 2615 2611 2616 2620 CONECT 2616 2615 2617 2669 CONECT 2617 2616 2618 2668 CONECT 2618 2617 2619 2623 CONECT 2619 2618 2620 2622 CONECT 2620 2615 2619 2621 CONECT 2621 2620 CONECT 2622 2619 CONECT 2623 2618 2624 2625 CONECT 2624 2623 CONECT 2625 2623 2626 2667 CONECT 2626 2625 2627 2665 2666 CONECT 2627 2626 2628 2632 CONECT 2628 2627 2629 2664 CONECT 2629 2628 2630 2661 CONECT 2630 2629 2631 2635 CONECT 2631 2630 2632 2634 CONECT 2632 2627 2631 2633 CONECT 2633 2632 CONECT 2634 2631 CONECT 2635 2630 2636 2660 CONECT 2636 2635 2637 2652 2656 CONECT 2637 2636 2638 2650 2651 CONECT 2638 2637 2639 CONECT 2639 2638 2640 2644 CONECT 2640 2639 2641 2649 CONECT 2641 2640 2642 2648 CONECT 2642 2641 2643 2647 CONECT 2643 2642 2644 2646 CONECT 2644 2639 2643 2645 CONECT 2645 2644 CONECT 2646 2643 CONECT 2647 2642 CONECT 2648 2641 CONECT 2649 2640 CONECT 2650 2637 CONECT 2651 2637 CONECT 2652 2636 2653 2654 2655 CONECT 2653 2652 CONECT 2654 2652 CONECT 2655 2652 CONECT 2656 2636 2657 2658 2659 CONECT 2657 2656 CONECT 2658 2656 CONECT 2659 2656 CONECT 2660 2635 CONECT 2661 2629 2662 2663 CONECT 2662 2661 CONECT 2663 2661 CONECT 2664 2628 CONECT 2665 2626 CONECT 2666 2626 CONECT 2667 2625 CONECT 2668 2617 CONECT 2669 2616 CONECT 2670 2610 CONECT 2671 2610 CONECT 2672 2609 CONECT 2673 2609 CONECT 2674 2608 2675 2676 2677 CONECT 2675 2674 CONECT 2676 2674 CONECT 2677 2674 CONECT 2678 2608 2679 2680 2681 CONECT 2679 2678 CONECT 2680 2678 CONECT 2681 2678 CONECT 2682 2607 CONECT 2683 2607 MASTER 0 0 0 0 0 0 0 0 2682 1 81 13 END
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Structure:
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Related entries of code: 2o22
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2w3l
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PDBbind
144aa, >2W3L_1|Chains... at 99%
4aq3
RCSB PDB
PDBbind
169aa, >4AQ3_1|Chains... at 90%
4ieh
RCSB PDB
PDBbind
169aa, >4IEH_1|Chain... at 91%
4lvt
RCSB PDB
PDBbind
166aa, >4LVT_1|Chains... at 93%
4lxd
RCSB PDB
PDBbind
166aa, >4LXD_1|Chain... at 93%
4man
RCSB PDB
PDBbind
166aa, >4MAN_1|Chains... at 93%
6gl8
RCSB PDB
PDBbind
172aa, >6GL8_1|Chain... *
6o0p
RCSB PDB
PDBbind
166aa, >6O0P_1|Chain... at 92%
6o0o
RCSB PDB
PDBbind
166aa, >6O0O_1|Chains... at 92%
6o0m
RCSB PDB
PDBbind
166aa, >6O0M_1|Chain... at 92%
6o0k
RCSB PDB
PDBbind
166aa, >6O0K_1|Chain... at 93%
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
2o22
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Apoptosis regulator Bcl-2
Ligand Name
LIU
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Ki=67nM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. 50: 641-662
Ligand Properties
Formula
C
3
0
H
3
6
N
4
O
5
S
2
Molecular Weight
596.761
Exact Mass
596.213
No. of atoms
77
No. of bonds
80
Polar Surface Area
158.01
LOGP Value
7.32 (
Computed with XLOGP3
)
8.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
O=N(=O)c1cc(ccc1NC(CSc1ccccc1)(C)C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)(C)C
InChI String
InChI=1S/C30H36N4O5S2/c1-29(2)16-18-33(19-17-29)23-12-10-22(11-13-23)28(35)32-41(38,39)25-14-15-26(27(20-25)34(36)37)31-30(3,4)21-40-24-8-6-5-7-9-24/h5-15,20,31H,16-19,21H2,1-4H3,(H,32,35)
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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times since Nov 2007.
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