Browse entries in the PDBbind-CN Database
HEADER 2NXL_COMPLEX COMPND 2NXL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY LYS TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY LYS TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET ALA A 336 130 ATOM 1 N PRO A 1 29.124 6.953 -3.124 1.00 48.65 N ATOM 2 CA PRO A 1 28.115 6.154 -3.805 1.00 48.28 C ATOM 3 C PRO A 1 26.694 6.422 -3.310 1.00 47.26 C ATOM 4 O PRO A 1 26.518 7.084 -2.280 1.00 47.12 O ATOM 5 CB PRO A 1 28.512 4.725 -3.416 1.00 48.76 C ATOM 6 CG PRO A 1 29.020 4.873 -2.023 1.00 49.29 C ATOM 7 CD PRO A 1 29.683 6.235 -1.962 1.00 48.72 C ATOM 8 HA PRO A 1 28.092 6.367 -4.874 1.00 0.00 H ATOM 9 HD3 PRO A 1 29.434 6.747 -1.033 1.00 0.00 H ATOM 10 HD2 PRO A 1 30.766 6.144 -2.046 1.00 0.00 H ATOM 11 HG3 PRO A 1 29.743 4.089 -1.798 1.00 0.00 H ATOM 12 HG2 PRO A 1 28.196 4.820 -1.311 1.00 0.00 H ATOM 13 HB2 PRO A 1 27.650 4.058 -3.448 1.00 0.00 H ATOM 14 HB3 PRO A 1 29.290 4.343 -4.077 1.00 0.00 H ATOM 15 N GLN A 2 25.726 5.926 -4.080 1.00 46.18 N ATOM 16 CA GLN A 2 24.352 5.741 -3.636 1.00 46.10 C ATOM 17 C GLN A 2 24.141 4.258 -3.319 1.00 45.87 C ATOM 18 O GLN A 2 24.477 3.382 -4.119 1.00 46.13 O ATOM 19 CB GLN A 2 23.364 6.242 -4.687 1.00 46.18 C ATOM 20 CG GLN A 2 21.897 6.023 -4.345 1.00 46.05 C ATOM 21 CD GLN A 2 20.976 6.939 -5.133 1.00 46.94 C ATOM 22 OE1 GLN A 2 20.733 8.079 -4.735 1.00 47.59 O ATOM 23 NE2 GLN A 2 20.435 6.433 -6.237 1.00 47.68 N ATOM 24 HA GLN A 2 24.170 6.329 -2.736 1.00 0.00 H ATOM 25 HB2 GLN A 2 23.525 7.312 -4.820 1.00 0.00 H ATOM 26 HB3 GLN A 2 23.574 5.725 -5.623 1.00 0.00 H ATOM 27 HG2 GLN A 2 21.636 4.988 -4.567 1.00 0.00 H ATOM 28 HG3 GLN A 2 21.753 6.212 -3.281 1.00 0.00 H ATOM 29 HE22 GLN A 2 20.670 5.465 -6.534 1.00 0.00 H ATOM 30 HE21 GLN A 2 19.777 7.006 -6.803 1.00 0.00 H ATOM 31 H GLN A 2 25.966 5.655 -5.055 1.00 0.00 H ATOM 32 N ILE A 3 23.650 3.983 -2.114 1.00 45.24 N ATOM 33 CA ILE A 3 23.516 2.617 -1.612 1.00 45.29 C ATOM 34 C ILE A 3 22.047 2.315 -1.333 1.00 44.08 C ATOM 35 O ILE A 3 21.410 2.972 -0.516 1.00 44.03 O ATOM 36 CB ILE A 3 24.373 2.398 -0.344 1.00 45.16 C ATOM 37 CG1 ILE A 3 25.857 2.534 -0.683 1.00 45.92 C ATOM 38 CG2 ILE A 3 24.122 1.022 0.265 1.00 45.78 C ATOM 39 CD1 ILE A 3 26.728 2.706 0.523 1.00 46.38 C ATOM 40 HA ILE A 3 23.882 1.929 -2.374 1.00 0.00 H ATOM 41 HB ILE A 3 24.088 3.158 0.384 1.00 0.00 H ATOM 42 HG12 ILE A 3 26.174 1.636 -1.214 1.00 0.00 H ATOM 43 HG13 ILE A 3 25.986 3.402 -1.330 1.00 0.00 H ATOM 44 HD11 ILE A 3 26.430 3.607 1.060 1.00 0.00 H ATOM 45 HD12 ILE A 3 26.618 1.840 1.175 1.00 0.00 H ATOM 46 HD13 ILE A 3 27.768 2.796 0.209 1.00 0.00 H ATOM 47 HG21 ILE A 3 23.070 0.933 0.537 1.00 0.00 H ATOM 48 HG22 ILE A 3 24.377 0.252 -0.463 1.00 0.00 H ATOM 49 HG23 ILE A 3 24.740 0.901 1.154 1.00 0.00 H ATOM 50 H ILE A 3 23.350 4.771 -1.505 1.00 0.00 H ATOM 51 N THR A 4 21.508 1.311 -2.016 1.00 43.75 N ATOM 52 CA THR A 4 20.137 0.897 -1.775 1.00 43.58 C ATOM 53 C THR A 4 20.091 -0.072 -0.590 1.00 42.83 C ATOM 54 O THR A 4 21.132 -0.520 -0.092 1.00 42.20 O ATOM 55 CB THR A 4 19.510 0.268 -3.025 1.00 43.72 C ATOM 56 OG1 THR A 4 20.263 -0.890 -3.402 1.00 44.42 O ATOM 57 CG2 THR A 4 19.491 1.267 -4.169 1.00 44.92 C ATOM 58 HA THR A 4 19.548 1.781 -1.533 1.00 0.00 H ATOM 59 HB THR A 4 18.483 -0.021 -2.801 1.00 0.00 H ATOM 60 HG1 THR A 4 19.859 -1.297 -4.209 1.00 0.00 H ATOM 61 HG23 THR A 4 18.916 2.145 -3.874 1.00 0.00 H ATOM 62 HG21 THR A 4 20.512 1.563 -4.408 1.00 0.00 H ATOM 63 HG22 THR A 4 19.031 0.807 -5.044 1.00 0.00 H ATOM 64 H THR A 4 22.075 0.815 -2.733 1.00 0.00 H ATOM 65 N LEU A 5 18.878 -0.401 -0.152 1.00 42.19 N ATOM 66 CA LEU A 5 18.685 -1.071 1.141 1.00 42.31 C ATOM 67 C LEU A 5 17.996 -2.433 1.092 1.00 41.91 C ATOM 68 O LEU A 5 17.472 -2.912 2.101 1.00 41.05 O ATOM 69 CB LEU A 5 17.943 -0.122 2.077 1.00 41.87 C ATOM 70 CG LEU A 5 18.750 1.138 2.417 1.00 43.35 C ATOM 71 CD1 LEU A 5 17.887 2.100 3.229 1.00 43.78 C ATOM 72 CD2 LEU A 5 20.031 0.804 3.192 1.00 44.07 C ATOM 73 HA LEU A 5 19.684 -1.302 1.511 1.00 0.00 H ATOM 74 HB2 LEU A 5 17.012 0.180 1.598 1.00 0.00 H ATOM 75 HB3 LEU A 5 17.719 -0.652 3.003 1.00 0.00 H ATOM 76 HG LEU A 5 19.045 1.608 1.479 1.00 0.00 H ATOM 77 HD21 LEU A 5 19.770 0.303 4.124 1.00 0.00 H ATOM 78 HD22 LEU A 5 20.659 0.148 2.589 1.00 0.00 H ATOM 79 HD23 LEU A 5 20.572 1.725 3.412 1.00 0.00 H ATOM 80 HD11 LEU A 5 17.009 2.379 2.646 1.00 0.00 H ATOM 81 HD12 LEU A 5 17.572 1.613 4.152 1.00 0.00 H ATOM 82 HD13 LEU A 5 18.466 2.992 3.467 1.00 0.00 H ATOM 83 H LEU A 5 18.048 -0.179 -0.738 1.00 0.00 H ATOM 84 N TRP A 6 18.047 -3.083 -0.066 1.00 42.32 N ATOM 85 CA TRP A 6 17.461 -4.413 -0.206 1.00 42.97 C ATOM 86 C TRP A 6 18.340 -5.447 0.481 1.00 42.38 C ATOM 87 O TRP A 6 17.856 -6.504 0.849 1.00 41.86 O ATOM 88 CB TRP A 6 17.205 -4.762 -1.671 1.00 44.51 C ATOM 89 CG TRP A 6 15.874 -4.253 -2.133 1.00 46.57 C ATOM 90 CD1 TRP A 6 14.640 -4.795 -1.873 1.00 47.69 C ATOM 91 CD2 TRP A 6 15.641 -3.096 -2.935 1.00 47.53 C ATOM 92 NE1 TRP A 6 13.652 -4.037 -2.462 1.00 48.23 N ATOM 93 CE2 TRP A 6 14.241 -2.991 -3.123 1.00 47.60 C ATOM 94 CE3 TRP A 6 16.480 -2.132 -3.500 1.00 47.04 C ATOM 95 CZ2 TRP A 6 13.661 -1.966 -3.866 1.00 48.21 C ATOM 96 CZ3 TRP A 6 15.905 -1.104 -4.222 1.00 48.29 C ATOM 97 CH2 TRP A 6 14.509 -1.029 -4.405 1.00 48.10 C ATOM 98 HA TRP A 6 16.489 -4.416 0.287 1.00 0.00 H ATOM 99 HB2 TRP A 6 17.988 -4.315 -2.284 1.00 0.00 H ATOM 100 HB3 TRP A 6 17.230 -5.846 -1.787 1.00 0.00 H ATOM 101 HE1 TRP A 6 12.631 -4.227 -2.413 1.00 0.00 H ATOM 102 HD1 TRP A 6 14.467 -5.696 -1.285 1.00 0.00 H ATOM 103 HZ2 TRP A 6 12.582 -1.910 -4.013 1.00 0.00 H ATOM 104 HH2 TRP A 6 14.092 -0.208 -4.988 1.00 0.00 H ATOM 105 HZ3 TRP A 6 16.543 -0.336 -4.659 1.00 0.00 H ATOM 106 HE3 TRP A 6 17.561 -2.190 -3.374 1.00 0.00 H ATOM 107 H TRP A 6 18.511 -2.638 -0.884 1.00 0.00 H ATOM 108 N LYS A 7 19.617 -5.121 0.672 1.00 42.41 N ATOM 109 CA LYS A 7 20.523 -5.936 1.482 1.00 42.33 C ATOM 110 C LYS A 7 21.077 -5.043 2.587 1.00 42.39 C ATOM 111 O LYS A 7 21.035 -3.812 2.469 1.00 42.60 O ATOM 112 CB LYS A 7 21.650 -6.496 0.618 1.00 43.28 C ATOM 113 HA LYS A 7 19.995 -6.786 1.915 1.00 0.00 H ATOM 114 HB2 LYS A 7 21.226 -7.114 -0.173 1.00 0.00 H ATOM 115 HB3 LYS A 7 22.211 -5.672 0.176 1.00 0.00 H ATOM 116 H LYS A 7 19.984 -4.255 0.229 1.00 0.00 H ATOM 117 N ARG A 8 21.599 -5.649 3.654 1.00 41.00 N ATOM 118 CA ARG A 8 22.294 -4.879 4.686 1.00 40.28 C ATOM 119 C ARG A 8 23.405 -4.037 4.055 1.00 39.80 C ATOM 120 O ARG A 8 24.146 -4.533 3.212 1.00 38.33 O ATOM 121 CB ARG A 8 22.911 -5.810 5.736 1.00 40.22 C ATOM 122 CG ARG A 8 21.893 -6.563 6.573 1.00 39.87 C ATOM 123 CD ARG A 8 22.554 -7.115 7.804 1.00 39.90 C ATOM 124 NE ARG A 8 21.628 -7.831 8.676 1.00 38.66 N ATOM 125 CZ ARG A 8 22.007 -8.471 9.779 1.00 39.91 C ATOM 126 NH1 ARG A 8 23.283 -8.483 10.136 1.00 39.00 N ATOM 127 NH2 ARG A 8 21.114 -9.102 10.531 1.00 39.55 N ATOM 128 HA ARG A 8 21.565 -4.228 5.169 1.00 0.00 H ATOM 129 HB2 ARG A 8 23.538 -6.539 5.222 1.00 0.00 H ATOM 130 HB3 ARG A 8 23.528 -5.210 6.405 1.00 0.00 H ATOM 131 HG2 ARG A 8 21.092 -5.884 6.866 1.00 0.00 H ATOM 132 HG3 ARG A 8 21.477 -7.383 5.987 1.00 0.00 H ATOM 133 HD2 ARG A 8 22.991 -6.288 8.364 1.00 0.00 H ATOM 134 HD3 ARG A 8 23.343 -7.801 7.497 1.00 0.00 H ATOM 135 HE ARG A 8 20.620 -7.841 8.422 1.00 0.00 H ATOM 136 HH12 ARG A 8 23.577 -8.984 10.999 1.00 0.00 H ATOM 137 HH11 ARG A 8 23.991 -7.991 9.554 1.00 0.00 H ATOM 138 HH22 ARG A 8 21.418 -9.600 11.392 1.00 0.00 H ATOM 139 HH21 ARG A 8 20.110 -9.098 10.259 1.00 0.00 H ATOM 140 H ARG A 8 21.511 -6.680 3.754 1.00 0.00 H ATOM 141 N PRO A 9 23.515 -2.752 4.439 1.00 39.53 N ATOM 142 CA PRO A 9 24.594 -1.906 3.925 1.00 39.89 C ATOM 143 C PRO A 9 25.944 -2.167 4.594 1.00 40.08 C ATOM 144 O PRO A 9 26.416 -1.359 5.405 1.00 39.43 O ATOM 145 CB PRO A 9 24.092 -0.487 4.210 1.00 38.92 C ATOM 146 CG PRO A 9 23.255 -0.637 5.390 1.00 39.04 C ATOM 147 CD PRO A 9 22.578 -1.982 5.274 1.00 39.16 C ATOM 148 HA PRO A 9 24.791 -2.098 2.870 1.00 0.00 H ATOM 149 HD3 PRO A 9 22.454 -2.445 6.253 1.00 0.00 H ATOM 150 HD2 PRO A 9 21.605 -1.891 4.791 1.00 0.00 H ATOM 151 HG3 PRO A 9 22.509 0.157 5.426 1.00 0.00 H ATOM 152 HG2 PRO A 9 23.866 -0.600 6.292 1.00 0.00 H ATOM 153 HB2 PRO A 9 24.926 0.186 4.410 1.00 0.00 H ATOM 154 HB3 PRO A 9 23.512 -0.105 3.370 1.00 0.00 H ATOM 155 N LEU A 10 26.553 -3.292 4.219 1.00 40.13 N ATOM 156 CA LEU A 10 27.868 -3.679 4.716 1.00 40.50 C ATOM 157 C LEU A 10 28.948 -3.085 3.821 1.00 40.78 C ATOM 158 O LEU A 10 28.835 -3.117 2.599 1.00 40.97 O ATOM 159 CB LEU A 10 28.021 -5.199 4.760 1.00 41.02 C ATOM 160 CG LEU A 10 26.946 -5.909 5.582 1.00 43.00 C ATOM 161 CD1 LEU A 10 27.038 -7.410 5.382 1.00 43.66 C ATOM 162 CD2 LEU A 10 27.068 -5.562 7.058 1.00 44.88 C ATOM 163 HA LEU A 10 27.973 -3.296 5.731 1.00 0.00 H ATOM 164 HB2 LEU A 10 27.978 -5.578 3.739 1.00 0.00 H ATOM 165 HB3 LEU A 10 28.994 -5.433 5.192 1.00 0.00 H ATOM 166 HG LEU A 10 25.971 -5.566 5.235 1.00 0.00 H ATOM 167 HD21 LEU A 10 28.048 -5.871 7.423 1.00 0.00 H ATOM 168 HD22 LEU A 10 26.953 -4.486 7.188 1.00 0.00 H ATOM 169 HD23 LEU A 10 26.290 -6.082 7.618 1.00 0.00 H ATOM 170 HD11 LEU A 10 26.894 -7.644 4.327 1.00 0.00 H ATOM 171 HD12 LEU A 10 28.020 -7.758 5.702 1.00 0.00 H ATOM 172 HD13 LEU A 10 26.266 -7.902 5.974 1.00 0.00 H ATOM 173 H LEU A 10 26.070 -3.919 3.544 1.00 0.00 H ATOM 174 N VAL A 11 29.973 -2.508 4.437 1.00 39.94 N ATOM 175 CA VAL A 11 31.097 -1.961 3.698 1.00 39.87 C ATOM 176 C VAL A 11 32.410 -2.371 4.351 1.00 39.25 C ATOM 177 O VAL A 11 32.455 -2.747 5.521 1.00 38.21 O ATOM 178 CB VAL A 11 31.034 -0.423 3.594 1.00 40.28 C ATOM 179 CG1 VAL A 11 29.691 0.013 3.027 1.00 41.97 C ATOM 180 CG2 VAL A 11 31.284 0.235 4.936 1.00 41.31 C ATOM 181 HA VAL A 11 31.042 -2.368 2.688 1.00 0.00 H ATOM 182 HB VAL A 11 31.824 -0.101 2.916 1.00 0.00 H ATOM 183 HG11 VAL A 11 29.560 -0.417 2.034 1.00 0.00 H ATOM 184 HG12 VAL A 11 28.892 -0.333 3.682 1.00 0.00 H ATOM 185 HG13 VAL A 11 29.662 1.101 2.960 1.00 0.00 H ATOM 186 HG21 VAL A 11 30.527 -0.095 5.647 1.00 0.00 H ATOM 187 HG22 VAL A 11 32.272 -0.047 5.299 1.00 0.00 H ATOM 188 HG23 VAL A 11 31.232 1.318 4.824 1.00 0.00 H ATOM 189 H VAL A 11 29.971 -2.446 5.475 1.00 0.00 H ATOM 190 N THR A 12 33.482 -2.275 3.573 1.00 39.18 N ATOM 191 CA THR A 12 34.816 -2.563 4.073 1.00 39.06 C ATOM 192 C THR A 12 35.345 -1.317 4.772 1.00 38.63 C ATOM 193 O THR A 12 35.252 -0.201 4.258 1.00 38.14 O ATOM 194 CB THR A 12 35.740 -3.011 2.922 1.00 39.39 C ATOM 195 OG1 THR A 12 35.213 -4.225 2.367 1.00 39.55 O ATOM 196 CG2 THR A 12 37.195 -3.236 3.383 1.00 39.22 C ATOM 197 HA THR A 12 34.784 -3.385 4.788 1.00 0.00 H ATOM 198 HB THR A 12 35.766 -2.216 2.176 1.00 0.00 H ATOM 199 HG1 THR A 12 35.795 -4.527 1.625 1.00 0.00 H ATOM 200 HG23 THR A 12 37.589 -2.311 3.803 1.00 0.00 H ATOM 201 HG21 THR A 12 37.218 -4.019 4.141 1.00 0.00 H ATOM 202 HG22 THR A 12 37.803 -3.537 2.530 1.00 0.00 H ATOM 203 H THR A 12 33.364 -1.986 2.581 1.00 0.00 H ATOM 204 N ILE A 13 35.913 -1.525 5.953 1.00 38.48 N ATOM 205 CA ILE A 13 36.588 -0.441 6.661 1.00 38.35 C ATOM 206 C ILE A 13 38.052 -0.813 6.906 1.00 38.14 C ATOM 207 O ILE A 13 38.410 -1.990 6.883 1.00 36.94 O ATOM 208 CB ILE A 13 35.866 -0.099 7.972 1.00 38.34 C ATOM 209 CG1 ILE A 13 36.025 -1.231 8.999 1.00 38.98 C ATOM 210 CG2 ILE A 13 34.380 0.176 7.706 1.00 37.14 C ATOM 211 CD1 ILE A 13 35.628 -0.846 10.410 1.00 39.48 C ATOM 212 HA ILE A 13 36.560 0.454 6.040 1.00 0.00 H ATOM 213 HB ILE A 13 36.321 0.801 8.386 1.00 0.00 H ATOM 214 HG12 ILE A 13 35.403 -2.069 8.685 1.00 0.00 H ATOM 215 HG13 ILE A 13 37.070 -1.540 9.009 1.00 0.00 H ATOM 216 HD11 ILE A 13 36.249 -0.016 10.747 1.00 0.00 H ATOM 217 HD12 ILE A 13 34.580 -0.546 10.422 1.00 0.00 H ATOM 218 HD13 ILE A 13 35.770 -1.700 11.072 1.00 0.00 H ATOM 219 HG21 ILE A 13 34.285 1.015 7.017 1.00 0.00 H ATOM 220 HG22 ILE A 13 33.921 -0.710 7.267 1.00 0.00 H ATOM 221 HG23 ILE A 13 33.883 0.417 8.645 1.00 0.00 H ATOM 222 H ILE A 13 35.877 -2.473 6.380 1.00 0.00 H ATOM 223 N ARG A 14 38.889 0.199 7.114 1.00 37.94 N ATOM 224 CA ARG A 14 40.256 -0.023 7.547 1.00 38.06 C ATOM 225 C ARG A 14 40.464 0.676 8.885 1.00 37.04 C ATOM 226 O ARG A 14 40.103 1.835 9.045 1.00 36.03 O ATOM 227 CB ARG A 14 41.232 0.451 6.479 1.00 37.95 C ATOM 228 CG ARG A 14 42.685 0.299 6.860 1.00 39.79 C ATOM 229 CD ARG A 14 43.582 0.217 5.627 1.00 41.91 C ATOM 230 NE ARG A 14 44.223 -1.092 5.628 1.00 46.13 N ATOM 231 CZ ARG A 14 44.654 -1.763 4.565 1.00 45.92 C ATOM 232 NH1 ARG A 14 44.550 -1.283 3.330 1.00 46.38 N ATOM 233 NH2 ARG A 14 45.212 -2.946 4.773 1.00 46.78 N ATOM 234 HA ARG A 14 40.446 -1.087 7.687 1.00 0.00 H ATOM 235 HB2 ARG A 14 41.054 -0.126 5.572 1.00 0.00 H ATOM 236 HB3 ARG A 14 41.038 1.505 6.282 1.00 0.00 H ATOM 237 HG2 ARG A 14 42.986 1.158 7.460 1.00 0.00 H ATOM 238 HG3 ARG A 14 42.804 -0.612 7.446 1.00 0.00 H ATOM 239 HD2 ARG A 14 44.339 1.001 5.666 1.00 0.00 H ATOM 240 HD3 ARG A 14 42.983 0.336 4.724 1.00 0.00 H ATOM 241 HE ARG A 14 44.357 -1.547 6.554 1.00 0.00 H ATOM 242 HH12 ARG A 14 44.900 -1.840 2.524 1.00 0.00 H ATOM 243 HH11 ARG A 14 44.119 -0.350 3.169 1.00 0.00 H ATOM 244 HH22 ARG A 14 45.563 -3.504 3.969 1.00 0.00 H ATOM 245 HH21 ARG A 14 45.299 -3.317 5.741 1.00 0.00 H ATOM 246 H ARG A 14 38.556 1.173 6.963 1.00 0.00 H ATOM 247 N ILE A 15 40.978 -0.062 9.865 1.00 36.79 N ATOM 248 CA ILE A 15 41.217 0.491 11.200 1.00 36.41 C ATOM 249 C ILE A 15 42.380 -0.231 11.858 1.00 35.65 C ATOM 250 O ILE A 15 42.485 -1.453 11.771 1.00 35.52 O ATOM 251 CB ILE A 15 39.952 0.426 12.096 1.00 36.55 C ATOM 252 CG1 ILE A 15 40.216 1.083 13.455 1.00 36.45 C ATOM 253 CG2 ILE A 15 39.456 -1.010 12.250 1.00 37.46 C ATOM 254 CD1 ILE A 15 38.979 1.320 14.288 1.00 36.32 C ATOM 255 HA ILE A 15 41.468 1.545 11.083 1.00 0.00 H ATOM 256 HB ILE A 15 39.158 0.989 11.605 1.00 0.00 H ATOM 257 HG12 ILE A 15 40.889 0.438 14.020 1.00 0.00 H ATOM 258 HG13 ILE A 15 40.698 2.045 13.280 1.00 0.00 H ATOM 259 HD11 ILE A 15 38.297 1.975 13.746 1.00 0.00 H ATOM 260 HD12 ILE A 15 38.488 0.367 14.486 1.00 0.00 H ATOM 261 HD13 ILE A 15 39.262 1.788 15.231 1.00 0.00 H ATOM 262 HG21 ILE A 15 39.208 -1.415 11.269 1.00 0.00 H ATOM 263 HG22 ILE A 15 40.238 -1.616 12.708 1.00 0.00 H ATOM 264 HG23 ILE A 15 38.569 -1.021 12.883 1.00 0.00 H ATOM 265 H ILE A 15 41.216 -1.057 9.679 1.00 0.00 H ATOM 266 N GLY A 16 43.252 0.526 12.513 1.00 34.46 N ATOM 267 CA GLY A 16 44.468 -0.035 13.099 1.00 34.44 C ATOM 268 C GLY A 16 45.270 -0.844 12.098 1.00 33.95 C ATOM 269 O GLY A 16 45.939 -1.811 12.462 1.00 34.21 O ATOM 270 HA3 GLY A 16 44.190 -0.682 13.931 1.00 0.00 H ATOM 271 HA2 GLY A 16 45.089 0.782 13.468 1.00 0.00 H ATOM 272 H GLY A 16 43.065 1.544 12.612 1.00 0.00 H ATOM 273 N GLY A 17 45.202 -0.442 10.831 1.00 33.59 N ATOM 274 CA GLY A 17 45.863 -1.152 9.742 1.00 33.54 C ATOM 275 C GLY A 17 45.143 -2.382 9.220 1.00 33.16 C ATOM 276 O GLY A 17 45.599 -2.991 8.259 1.00 33.01 O ATOM 277 HA3 GLY A 17 46.846 -1.464 10.094 1.00 0.00 H ATOM 278 HA2 GLY A 17 45.981 -0.456 8.912 1.00 0.00 H ATOM 279 H GLY A 17 44.655 0.414 10.608 1.00 0.00 H ATOM 280 N GLN A 18 44.014 -2.737 9.824 1.00 33.42 N ATOM 281 CA GLN A 18 43.292 -3.961 9.502 1.00 34.13 C ATOM 282 C GLN A 18 41.986 -3.707 8.750 1.00 34.53 C ATOM 283 O GLN A 18 41.292 -2.718 8.990 1.00 35.47 O ATOM 284 CB GLN A 18 42.990 -4.746 10.783 1.00 33.94 C ATOM 285 CG GLN A 18 44.229 -5.221 11.533 1.00 33.64 C ATOM 286 CD GLN A 18 45.076 -6.215 10.746 1.00 33.85 C ATOM 287 OE1 GLN A 18 46.275 -6.007 10.519 1.00 30.26 O ATOM 288 NE2 GLN A 18 44.449 -7.311 10.330 1.00 32.70 N ATOM 289 HA GLN A 18 43.941 -4.537 8.843 1.00 0.00 H ATOM 290 HB2 GLN A 18 42.412 -4.105 11.449 1.00 0.00 H ATOM 291 HB3 GLN A 18 42.396 -5.620 10.516 1.00 0.00 H ATOM 292 HG2 GLN A 18 44.845 -4.352 11.767 1.00 0.00 H ATOM 293 HG3 GLN A 18 43.909 -5.698 12.460 1.00 0.00 H ATOM 294 HE22 GLN A 18 43.440 -7.445 10.543 1.00 0.00 H ATOM 295 HE21 GLN A 18 44.968 -8.034 9.792 1.00 0.00 H ATOM 296 H GLN A 18 43.628 -2.112 10.561 1.00 0.00 H ATOM 297 N LEU A 19 41.641 -4.615 7.841 1.00 34.82 N ATOM 298 CA LEU A 19 40.380 -4.508 7.112 1.00 35.53 C ATOM 299 C LEU A 19 39.290 -5.283 7.842 1.00 36.15 C ATOM 300 O LEU A 19 39.540 -6.358 8.378 1.00 35.46 O ATOM 301 CB LEU A 19 40.526 -5.065 5.695 1.00 36.37 C ATOM 302 CG LEU A 19 41.537 -4.386 4.769 1.00 37.32 C ATOM 303 CD1 LEU A 19 41.769 -5.213 3.514 1.00 38.20 C ATOM 304 CD2 LEU A 19 41.044 -3.000 4.410 1.00 38.22 C ATOM 305 HA LEU A 19 40.109 -3.454 7.054 1.00 0.00 H ATOM 306 HB2 LEU A 19 40.816 -6.112 5.784 1.00 0.00 H ATOM 307 HB3 LEU A 19 39.549 -5.000 5.216 1.00 0.00 H ATOM 308 HG LEU A 19 42.490 -4.303 5.291 1.00 0.00 H ATOM 309 HD21 LEU A 19 40.082 -3.078 3.903 1.00 0.00 H ATOM 310 HD22 LEU A 19 40.930 -2.409 5.319 1.00 0.00 H ATOM 311 HD23 LEU A 19 41.766 -2.519 3.750 1.00 0.00 H ATOM 312 HD11 LEU A 19 42.154 -6.194 3.793 1.00 0.00 H ATOM 313 HD12 LEU A 19 40.827 -5.330 2.978 1.00 0.00 H ATOM 314 HD13 LEU A 19 42.492 -4.706 2.875 1.00 0.00 H ATOM 315 H LEU A 19 42.279 -5.413 7.647 1.00 0.00 H ATOM 316 N LYS A 20 38.086 -4.727 7.860 1.00 36.86 N ATOM 317 CA LYS A 20 36.936 -5.364 8.488 1.00 37.29 C ATOM 318 C LYS A 20 35.700 -5.005 7.678 1.00 37.22 C ATOM 319 O LYS A 20 35.739 -4.072 6.885 1.00 37.42 O ATOM 320 CB LYS A 20 36.779 -4.867 9.925 1.00 37.66 C ATOM 321 CG LYS A 20 37.879 -5.329 10.846 1.00 37.91 C ATOM 322 CD LYS A 20 37.592 -4.983 12.290 1.00 39.50 C ATOM 323 CE LYS A 20 38.736 -5.439 13.206 1.00 40.64 C ATOM 324 NZ LYS A 20 38.808 -6.926 13.360 1.00 42.19 N ATOM 325 HA LYS A 20 37.073 -6.445 8.514 1.00 0.00 H ATOM 326 HB2 LYS A 20 36.773 -3.777 9.914 1.00 0.00 H ATOM 327 HB3 LYS A 20 35.828 -5.231 10.314 1.00 0.00 H ATOM 328 HG2 LYS A 20 37.982 -6.410 10.757 1.00 0.00 H ATOM 329 HG3 LYS A 20 38.812 -4.851 10.548 1.00 0.00 H ATOM 330 HD2 LYS A 20 37.472 -3.903 12.381 1.00 0.00 H ATOM 331 HD3 LYS A 20 36.670 -5.477 12.598 1.00 0.00 H ATOM 332 HE2 LYS A 20 38.590 -4.995 14.191 1.00 0.00 H ATOM 333 HE3 LYS A 20 39.678 -5.087 12.786 1.00 0.00 H ATOM 334 HZ1 LYS A 20 37.918 -7.274 13.770 1.00 0.00 H ATOM 335 HZ2 LYS A 20 38.957 -7.363 12.428 1.00 0.00 H ATOM 336 HZ3 LYS A 20 39.599 -7.170 13.989 1.00 0.00 H ATOM 337 H LYS A 20 37.958 -3.799 7.408 1.00 0.00 H ATOM 338 N GLU A 21 34.634 -5.786 7.824 1.00 37.27 N ATOM 339 CA GLU A 21 33.329 -5.416 7.279 1.00 37.31 C ATOM 340 C GLU A 21 32.551 -4.716 8.387 1.00 37.42 C ATOM 341 O GLU A 21 32.700 -5.064 9.564 1.00 37.58 O ATOM 342 CB GLU A 21 32.541 -6.627 6.763 1.00 37.64 C ATOM 343 CG GLU A 21 32.961 -7.132 5.377 1.00 38.04 C ATOM 344 CD GLU A 21 31.788 -7.278 4.411 1.00 38.92 C ATOM 345 OE1 GLU A 21 31.863 -6.699 3.303 1.00 37.73 O ATOM 346 OE2 GLU A 21 30.788 -7.945 4.756 1.00 37.02 O ATOM 347 HA GLU A 21 33.477 -4.760 6.421 1.00 0.00 H ATOM 348 HB2 GLU A 21 32.671 -7.443 7.474 1.00 0.00 H ATOM 349 HB3 GLU A 21 31.488 -6.351 6.717 1.00 0.00 H ATOM 350 HG2 GLU A 21 33.675 -6.426 4.952 1.00 0.00 H ATOM 351 HG3 GLU A 21 33.439 -8.105 5.492 1.00 0.00 H ATOM 352 H GLU A 21 34.731 -6.684 8.340 1.00 0.00 H ATOM 353 N ALA A 22 31.756 -3.715 8.021 1.00 37.16 N ATOM 354 CA ALA A 22 30.922 -3.008 8.993 1.00 37.46 C ATOM 355 C ALA A 22 29.612 -2.552 8.374 1.00 37.80 C ATOM 356 O ALA A 22 29.518 -2.411 7.158 1.00 37.58 O ATOM 357 CB ALA A 22 31.653 -1.831 9.591 1.00 37.05 C ATOM 358 HA ALA A 22 30.695 -3.714 9.792 1.00 0.00 H ATOM 359 HB1 ALA A 22 32.553 -2.182 10.096 1.00 0.00 H ATOM 360 HB2 ALA A 22 31.928 -1.135 8.799 1.00 0.00 H ATOM 361 HB3 ALA A 22 31.004 -1.329 10.309 1.00 0.00 H ATOM 362 H ALA A 22 31.726 -3.428 7.022 1.00 0.00 H ATOM 363 N LEU A 23 28.626 -2.331 9.244 1.00 38.45 N ATOM 364 CA LEU A 23 27.242 -2.077 8.858 1.00 37.99 C ATOM 365 C LEU A 23 26.984 -0.590 9.023 1.00 38.10 C ATOM 366 O LEU A 23 27.196 -0.051 10.114 1.00 37.77 O ATOM 367 CB LEU A 23 26.283 -2.859 9.764 1.00 38.61 C ATOM 368 CG LEU A 23 24.766 -2.620 9.656 1.00 37.53 C ATOM 369 CD1 LEU A 23 24.236 -3.026 8.300 1.00 39.29 C ATOM 370 CD2 LEU A 23 24.016 -3.400 10.741 1.00 38.61 C ATOM 371 HA LEU A 23 27.078 -2.393 7.828 1.00 0.00 H ATOM 372 HB2 LEU A 23 26.452 -3.917 9.564 1.00 0.00 H ATOM 373 HB3 LEU A 23 26.566 -2.635 10.792 1.00 0.00 H ATOM 374 HG LEU A 23 24.600 -1.551 9.792 1.00 0.00 H ATOM 375 HD21 LEU A 23 24.215 -4.465 10.624 1.00 0.00 H ATOM 376 HD22 LEU A 23 24.356 -3.072 11.723 1.00 0.00 H ATOM 377 HD23 LEU A 23 22.946 -3.216 10.645 1.00 0.00 H ATOM 378 HD11 LEU A 23 24.734 -2.441 7.527 1.00 0.00 H ATOM 379 HD12 LEU A 23 24.431 -4.086 8.138 1.00 0.00 H ATOM 380 HD13 LEU A 23 23.162 -2.843 8.261 1.00 0.00 H ATOM 381 H LEU A 23 28.857 -2.340 10.258 1.00 0.00 H ATOM 382 N LEU A 24 26.596 0.083 7.939 1.00 38.08 N ATOM 383 CA LEU A 24 26.233 1.501 8.014 1.00 37.71 C ATOM 384 C LEU A 24 24.858 1.627 8.669 1.00 38.24 C ATOM 385 O LEU A 24 23.836 1.246 8.098 1.00 38.98 O ATOM 386 CB LEU A 24 26.240 2.174 6.639 1.00 38.28 C ATOM 387 CG LEU A 24 27.530 2.063 5.821 1.00 37.85 C ATOM 388 CD1 LEU A 24 27.425 2.842 4.545 1.00 38.37 C ATOM 389 CD2 LEU A 24 28.735 2.544 6.601 1.00 38.34 C ATOM 390 HA LEU A 24 26.982 2.016 8.616 1.00 0.00 H ATOM 391 HB2 LEU A 24 25.437 1.730 6.050 1.00 0.00 H ATOM 392 HB3 LEU A 24 26.035 3.234 6.790 1.00 0.00 H ATOM 393 HG LEU A 24 27.665 1.006 5.591 1.00 0.00 H ATOM 394 HD21 LEU A 24 28.594 3.589 6.878 1.00 0.00 H ATOM 395 HD22 LEU A 24 28.848 1.941 7.502 1.00 0.00 H ATOM 396 HD23 LEU A 24 29.628 2.448 5.983 1.00 0.00 H ATOM 397 HD11 LEU A 24 26.598 2.453 3.950 1.00 0.00 H ATOM 398 HD12 LEU A 24 27.246 3.892 4.776 1.00 0.00 H ATOM 399 HD13 LEU A 24 28.355 2.745 3.984 1.00 0.00 H ATOM 400 H LEU A 24 26.550 -0.408 7.023 1.00 0.00 H ATOM 401 N ASN A 25 24.855 2.194 9.872 1.00 37.61 N ATOM 402 CA ASN A 25 23.726 2.123 10.774 1.00 37.32 C ATOM 403 C ASN A 25 23.267 3.509 11.209 1.00 36.79 C ATOM 404 O ASN A 25 23.803 4.096 12.154 1.00 36.38 O ATOM 405 CB ASN A 25 24.116 1.248 11.972 1.00 37.08 C ATOM 406 CG ASN A 25 22.936 0.866 12.824 1.00 38.35 C ATOM 407 OD1 ASN A 25 21.855 1.479 12.671 1.00 39.49 O ATOM 408 ND2 ASN A 25 23.110 -0.039 13.674 1.00 42.21 N ATOM 409 HA ASN A 25 22.876 1.673 10.261 1.00 0.00 H ATOM 410 HB2 ASN A 25 24.587 0.338 11.600 1.00 0.00 H ATOM 411 HB3 ASN A 25 24.827 1.798 12.588 1.00 0.00 H ATOM 412 HD22 ASN A 25 24.034 -0.510 13.750 1.00 0.00 H ATOM 413 HD21 ASN A 25 22.330 -0.319 14.303 1.00 0.00 H ATOM 414 H ASN A 25 25.703 2.712 10.178 1.00 0.00 H ATOM 415 N THR A 26 22.250 4.014 10.518 1.00 36.41 N ATOM 416 CA THR A 26 21.685 5.313 10.857 1.00 36.77 C ATOM 417 C THR A 26 20.871 5.273 12.161 1.00 37.05 C ATOM 418 O THR A 26 20.460 6.316 12.671 1.00 38.19 O ATOM 419 CB THR A 26 20.819 5.842 9.694 1.00 36.45 C ATOM 420 OG1 THR A 26 19.717 4.950 9.454 1.00 33.55 O ATOM 421 CG2 THR A 26 21.688 6.028 8.429 1.00 36.85 C ATOM 422 HA THR A 26 22.519 5.996 11.021 1.00 0.00 H ATOM 423 HB THR A 26 20.407 6.815 9.962 1.00 0.00 H ATOM 424 HG1 THR A 26 19.161 4.886 10.271 1.00 0.00 H ATOM 425 HG23 THR A 26 22.510 6.709 8.651 1.00 0.00 H ATOM 426 HG21 THR A 26 22.088 5.062 8.119 1.00 0.00 H ATOM 427 HG22 THR A 26 21.077 6.444 7.628 1.00 0.00 H ATOM 428 H THR A 26 21.852 3.474 9.724 1.00 0.00 H ATOM 429 N GLY A 27 20.604 4.073 12.670 1.00 37.05 N ATOM 430 CA GLY A 27 19.976 3.882 13.970 1.00 37.55 C ATOM 431 C GLY A 27 20.926 3.690 15.144 1.00 37.26 C ATOM 432 O GLY A 27 20.495 3.343 16.242 1.00 36.50 O ATOM 433 HA3 GLY A 27 19.339 3.000 13.907 1.00 0.00 H ATOM 434 HA2 GLY A 27 19.362 4.758 14.177 1.00 0.00 H ATOM 435 H GLY A 27 20.856 3.232 12.113 1.00 0.00 H ATOM 436 N ALA A 28 22.202 3.986 14.926 1.00 37.24 N ATOM 437 CA ALA A 28 23.207 3.970 15.963 1.00 37.05 C ATOM 438 C ALA A 28 23.792 5.375 16.194 1.00 37.66 C ATOM 439 O ALA A 28 24.300 6.014 15.265 1.00 38.16 O ATOM 440 CB ALA A 28 24.305 3.004 15.536 1.00 37.89 C ATOM 441 HA ALA A 28 22.758 3.649 16.903 1.00 0.00 H ATOM 442 HB1 ALA A 28 23.881 2.008 15.405 1.00 0.00 H ATOM 443 HB2 ALA A 28 24.739 3.342 14.595 1.00 0.00 H ATOM 444 HB3 ALA A 28 25.078 2.973 16.303 1.00 0.00 H ATOM 445 H ALA A 28 22.492 4.242 13.961 1.00 0.00 H ATOM 446 N ASP A 29 23.729 5.861 17.428 1.00 37.36 N ATOM 447 CA ASP A 29 24.354 7.141 17.772 1.00 37.38 C ATOM 448 C ASP A 29 25.883 7.036 17.659 1.00 37.58 C ATOM 449 O ASP A 29 26.541 7.963 17.214 1.00 37.34 O ATOM 450 CB ASP A 29 24.011 7.594 19.186 1.00 36.33 C ATOM 451 CG ASP A 29 22.529 7.690 19.457 1.00 36.65 C ATOM 452 OD1 ASP A 29 21.730 7.993 18.560 1.00 36.03 O ATOM 453 OD2 ASP A 29 22.145 7.454 20.620 1.00 36.61 O ATOM 454 HA ASP A 29 23.963 7.875 17.067 1.00 0.00 H ATOM 455 HB2 ASP A 29 24.443 6.882 19.889 1.00 0.00 H ATOM 456 HB3 ASP A 29 24.454 8.577 19.348 1.00 0.00 H ATOM 457 H ASP A 29 23.227 5.324 18.164 1.00 0.00 H ATOM 458 N ASP A 30 26.427 5.883 18.036 1.00 37.90 N ATOM 459 CA ASP A 30 27.855 5.670 18.174 1.00 38.60 C ATOM 460 C ASP A 30 28.287 4.519 17.274 1.00 38.72 C ATOM 461 O ASP A 30 27.464 3.725 16.805 1.00 39.57 O ATOM 462 CB ASP A 30 28.191 5.278 19.610 1.00 39.18 C ATOM 463 CG ASP A 30 27.780 6.322 20.617 1.00 42.03 C ATOM 464 OD1 ASP A 30 27.843 7.526 20.301 1.00 44.35 O ATOM 465 OD2 ASP A 30 27.384 5.916 21.729 1.00 47.41 O ATOM 466 HA ASP A 30 28.368 6.593 17.902 1.00 0.00 H ATOM 467 HB2 ASP A 30 27.677 4.346 19.845 1.00 0.00 H ATOM 468 HB3 ASP A 30 29.268 5.126 19.686 1.00 0.00 H ATOM 469 H ASP A 30 25.791 5.087 18.244 1.00 0.00 H ATOM 470 N THR A 31 29.600 4.405 17.127 1.00 38.72 N ATOM 471 CA THR A 31 30.232 3.344 16.354 1.00 38.46 C ATOM 472 C THR A 31 30.698 2.281 17.355 1.00 38.53 C ATOM 473 O THR A 31 31.380 2.613 18.324 1.00 38.22 O ATOM 474 CB THR A 31 31.403 3.953 15.542 1.00 38.20 C ATOM 475 OG1 THR A 31 30.884 4.797 14.506 1.00 38.62 O ATOM 476 CG2 THR A 31 32.291 2.889 14.912 1.00 38.83 C ATOM 477 HA THR A 31 29.553 2.880 15.638 1.00 0.00 H ATOM 478 HB THR A 31 32.012 4.527 16.240 1.00 0.00 H ATOM 479 HG1 THR A 31 30.351 5.526 14.912 1.00 0.00 H ATOM 480 HG23 THR A 31 32.690 2.242 15.693 1.00 0.00 H ATOM 481 HG21 THR A 31 31.703 2.295 14.212 1.00 0.00 H ATOM 482 HG22 THR A 31 33.113 3.371 14.382 1.00 0.00 H ATOM 483 H THR A 31 30.210 5.110 17.588 1.00 0.00 H ATOM 484 N VAL A 32 30.317 1.027 17.123 1.00 38.76 N ATOM 485 CA VAL A 32 30.716 -0.097 17.970 1.00 38.87 C ATOM 486 C VAL A 32 31.301 -1.197 17.087 1.00 38.98 C ATOM 487 O VAL A 32 30.659 -1.645 16.139 1.00 39.11 O ATOM 488 CB VAL A 32 29.526 -0.691 18.764 1.00 39.11 C ATOM 489 CG1 VAL A 32 30.018 -1.458 19.987 1.00 39.09 C ATOM 490 CG2 VAL A 32 28.540 0.383 19.185 1.00 39.54 C ATOM 491 HA VAL A 32 31.448 0.276 18.687 1.00 0.00 H ATOM 492 HB VAL A 32 29.008 -1.382 18.099 1.00 0.00 H ATOM 493 HG11 VAL A 32 30.668 -2.272 19.666 1.00 0.00 H ATOM 494 HG12 VAL A 32 30.573 -0.783 20.638 1.00 0.00 H ATOM 495 HG13 VAL A 32 29.163 -1.865 20.527 1.00 0.00 H ATOM 496 HG21 VAL A 32 29.046 1.111 19.818 1.00 0.00 H ATOM 497 HG22 VAL A 32 28.147 0.881 18.299 1.00 0.00 H ATOM 498 HG23 VAL A 32 27.721 -0.075 19.739 1.00 0.00 H ATOM 499 H VAL A 32 29.708 0.838 16.302 1.00 0.00 H ATOM 500 N LEU A 33 32.523 -1.625 17.390 1.00 39.02 N ATOM 501 CA LEU A 33 33.146 -2.739 16.684 1.00 38.61 C ATOM 502 C LEU A 33 33.304 -3.967 17.583 1.00 37.93 C ATOM 503 O LEU A 33 33.430 -3.863 18.798 1.00 38.43 O ATOM 504 CB LEU A 33 34.507 -2.320 16.155 1.00 38.44 C ATOM 505 CG LEU A 33 34.532 -1.104 15.232 1.00 39.03 C ATOM 506 CD1 LEU A 33 35.966 -0.903 14.772 1.00 39.89 C ATOM 507 CD2 LEU A 33 33.613 -1.257 14.044 1.00 37.86 C ATOM 508 HA LEU A 33 32.491 -3.010 15.856 1.00 0.00 H ATOM 509 HB2 LEU A 33 35.143 -2.099 17.012 1.00 0.00 H ATOM 510 HB3 LEU A 33 34.923 -3.163 15.604 1.00 0.00 H ATOM 511 HG LEU A 33 34.170 -0.235 15.782 1.00 0.00 H ATOM 512 HD21 LEU A 33 33.917 -2.126 13.461 1.00 0.00 H ATOM 513 HD22 LEU A 33 32.589 -1.392 14.393 1.00 0.00 H ATOM 514 HD23 LEU A 33 33.672 -0.363 13.423 1.00 0.00 H ATOM 515 HD11 LEU A 33 36.604 -0.735 15.639 1.00 0.00 H ATOM 516 HD12 LEU A 33 36.303 -1.792 14.238 1.00 0.00 H ATOM 517 HD13 LEU A 33 36.016 -0.039 14.109 1.00 0.00 H ATOM 518 H LEU A 33 33.049 -1.152 18.152 1.00 0.00 H ATOM 519 N GLU A 34 33.283 -5.137 16.963 1.00 38.38 N ATOM 520 CA GLU A 34 33.577 -6.403 17.601 1.00 39.31 C ATOM 521 C GLU A 34 34.915 -6.328 18.335 1.00 39.93 C ATOM 522 O GLU A 34 35.776 -5.506 18.027 1.00 39.13 O ATOM 523 CB GLU A 34 33.602 -7.517 16.554 1.00 38.88 C ATOM 524 CG GLU A 34 32.234 -7.795 15.912 1.00 40.26 C ATOM 525 CD GLU A 34 32.330 -8.659 14.655 1.00 40.15 C ATOM 526 OE1 GLU A 34 33.450 -9.110 14.305 1.00 41.15 O ATOM 527 OE2 GLU A 34 31.280 -8.877 14.013 1.00 41.74 O ATOM 528 HA GLU A 34 32.798 -6.623 18.331 1.00 0.00 H ATOM 529 HB2 GLU A 34 34.300 -7.233 15.767 1.00 0.00 H ATOM 530 HB3 GLU A 34 33.949 -8.432 17.034 1.00 0.00 H ATOM 531 HG2 GLU A 34 31.606 -8.309 16.640 1.00 0.00 H ATOM 532 HG3 GLU A 34 31.775 -6.843 15.646 1.00 0.00 H ATOM 533 H GLU A 34 33.039 -5.147 15.952 1.00 0.00 H ATOM 534 N GLU A 35 35.048 -7.176 19.347 1.00 41.60 N ATOM 535 CA GLU A 35 36.227 -7.220 20.190 1.00 42.33 C ATOM 536 C GLU A 35 37.515 -7.222 19.358 1.00 43.00 C ATOM 537 O GLU A 35 37.685 -8.045 18.467 1.00 42.15 O ATOM 538 CB GLU A 35 36.151 -8.499 21.031 1.00 43.10 C ATOM 539 CG GLU A 35 37.303 -8.680 21.996 1.00 45.04 C ATOM 540 CD GLU A 35 37.516 -7.444 22.845 1.00 51.45 C ATOM 541 OE1 GLU A 35 36.521 -7.006 23.468 1.00 52.89 O ATOM 542 OE2 GLU A 35 38.656 -6.918 22.854 1.00 55.64 O ATOM 543 HA GLU A 35 36.252 -6.333 20.823 1.00 0.00 H ATOM 544 HB2 GLU A 35 35.225 -8.476 21.605 1.00 0.00 H ATOM 545 HB3 GLU A 35 36.136 -9.353 20.354 1.00 0.00 H ATOM 546 HG2 GLU A 35 37.089 -9.526 22.649 1.00 0.00 H ATOM 547 HG3 GLU A 35 38.212 -8.881 21.429 1.00 0.00 H ATOM 548 H GLU A 35 34.271 -7.839 19.544 1.00 0.00 H ATOM 549 N MET A 36 38.429 -6.311 19.660 1.00 43.92 N ATOM 550 CA MET A 36 39.710 -6.213 18.953 1.00 44.92 C ATOM 551 C MET A 36 40.625 -5.335 19.797 1.00 45.56 C ATOM 552 O MET A 36 40.161 -4.622 20.686 1.00 45.60 O ATOM 553 CB MET A 36 39.520 -5.571 17.580 1.00 45.13 C ATOM 554 CG MET A 36 38.949 -4.145 17.659 1.00 46.96 C ATOM 555 SD MET A 36 38.688 -3.270 16.098 1.00 46.04 S ATOM 556 CE MET A 36 40.341 -3.291 15.428 1.00 47.56 C ATOM 557 HA MET A 36 40.134 -7.206 18.806 1.00 0.00 H ATOM 558 HB2 MET A 36 40.487 -5.531 17.078 1.00 0.00 H ATOM 559 HB3 MET A 36 38.835 -6.188 16.999 1.00 0.00 H ATOM 560 HG2 MET A 36 39.637 -3.549 18.258 1.00 0.00 H ATOM 561 HG3 MET A 36 37.986 -4.205 18.166 1.00 0.00 H ATOM 562 HE1 MET A 36 41.015 -2.776 16.112 1.00 0.00 H ATOM 563 HE2 MET A 36 40.668 -4.323 15.303 1.00 0.00 H ATOM 564 HE3 MET A 36 40.346 -2.787 14.462 1.00 0.00 H ATOM 565 H MET A 36 38.230 -5.639 20.429 1.00 0.00 H ATOM 566 N ASN A 37 41.920 -5.393 19.519 1.00 46.37 N ATOM 567 CA ASN A 37 42.878 -4.461 20.098 1.00 46.97 C ATOM 568 C ASN A 37 42.883 -3.152 19.301 1.00 47.68 C ATOM 569 O ASN A 37 42.934 -3.174 18.069 1.00 48.22 O ATOM 570 CB ASN A 37 44.271 -5.088 20.073 1.00 47.04 C ATOM 571 CG ASN A 37 44.334 -6.415 20.819 1.00 47.60 C ATOM 572 OD1 ASN A 37 44.796 -7.422 20.279 1.00 50.34 O ATOM 573 ND2 ASN A 37 43.870 -6.421 22.061 1.00 44.98 N ATOM 574 HA ASN A 37 42.594 -4.245 21.128 1.00 0.00 H ATOM 575 HB2 ASN A 37 44.559 -5.257 19.035 1.00 0.00 H ATOM 576 HB3 ASN A 37 44.974 -4.395 20.535 1.00 0.00 H ATOM 577 HD22 ASN A 37 43.489 -5.548 22.478 1.00 0.00 H ATOM 578 HD21 ASN A 37 43.887 -7.299 22.618 1.00 0.00 H ATOM 579 H ASN A 37 42.263 -6.127 18.867 1.00 0.00 H ATOM 580 N LEU A 38 42.813 -2.015 19.983 1.00 47.44 N ATOM 581 CA LEU A 38 43.113 -0.735 19.353 1.00 48.10 C ATOM 582 C LEU A 38 44.191 -0.025 20.161 1.00 48.16 C ATOM 583 O LEU A 38 44.239 -0.169 21.381 1.00 49.11 O ATOM 584 CB LEU A 38 41.866 0.143 19.250 1.00 48.39 C ATOM 585 CG LEU A 38 40.904 -0.205 18.117 1.00 49.16 C ATOM 586 CD1 LEU A 38 39.662 0.660 18.236 1.00 49.82 C ATOM 587 CD2 LEU A 38 41.582 -0.016 16.763 1.00 48.65 C ATOM 588 HA LEU A 38 43.468 -0.919 18.339 1.00 0.00 H ATOM 589 HB2 LEU A 38 41.320 0.062 20.190 1.00 0.00 H ATOM 590 HB3 LEU A 38 42.192 1.173 19.108 1.00 0.00 H ATOM 591 HG LEU A 38 40.613 -1.253 18.193 1.00 0.00 H ATOM 592 HD21 LEU A 38 41.894 1.023 16.656 1.00 0.00 H ATOM 593 HD22 LEU A 38 42.454 -0.667 16.701 1.00 0.00 H ATOM 594 HD23 LEU A 38 40.880 -0.269 15.968 1.00 0.00 H ATOM 595 HD11 LEU A 38 39.181 0.473 19.196 1.00 0.00 H ATOM 596 HD12 LEU A 38 39.945 1.711 18.168 1.00 0.00 H ATOM 597 HD13 LEU A 38 38.972 0.415 17.429 1.00 0.00 H ATOM 598 H LEU A 38 42.539 -2.038 20.986 1.00 0.00 H ATOM 599 N PRO A 39 45.073 0.730 19.490 1.00 48.38 N ATOM 600 CA PRO A 39 46.140 1.371 20.251 1.00 48.24 C ATOM 601 C PRO A 39 45.626 2.474 21.168 1.00 48.20 C ATOM 602 O PRO A 39 44.597 3.089 20.883 1.00 48.32 O ATOM 603 CB PRO A 39 47.039 1.973 19.167 1.00 48.15 C ATOM 604 CG PRO A 39 46.636 1.308 17.902 1.00 48.84 C ATOM 605 CD PRO A 39 45.185 1.031 18.052 1.00 48.25 C ATOM 606 HA PRO A 39 46.644 0.662 20.908 1.00 0.00 H ATOM 607 HD3 PRO A 39 44.586 1.901 17.782 1.00 0.00 H ATOM 608 HD2 PRO A 39 44.880 0.179 17.445 1.00 0.00 H ATOM 609 HG3 PRO A 39 47.190 0.380 17.765 1.00 0.00 H ATOM 610 HG2 PRO A 39 46.814 1.965 17.051 1.00 0.00 H ATOM 611 HB2 PRO A 39 46.884 3.050 19.098 1.00 0.00 H ATOM 612 HB3 PRO A 39 48.088 1.772 19.386 1.00 0.00 H ATOM 613 N GLY A 40 46.331 2.686 22.275 1.00 48.23 N ATOM 614 CA GLY A 40 46.054 3.809 23.164 1.00 48.22 C ATOM 615 C GLY A 40 45.126 3.506 24.321 1.00 48.17 C ATOM 616 O GLY A 40 44.716 2.362 24.538 1.00 48.52 O ATOM 617 HA3 GLY A 40 45.604 4.605 22.571 1.00 0.00 H ATOM 618 HA2 GLY A 40 47.002 4.155 23.575 1.00 0.00 H ATOM 619 H GLY A 40 47.103 2.032 22.514 1.00 0.00 H ATOM 620 N LYS A 41 44.796 4.568 25.050 1.00 48.09 N ATOM 621 CA LYS A 41 43.993 4.492 26.257 1.00 47.61 C ATOM 622 C LYS A 41 42.515 4.407 25.894 1.00 47.77 C ATOM 623 O LYS A 41 42.074 4.976 24.888 1.00 48.47 O ATOM 624 CB LYS A 41 44.252 5.714 27.124 1.00 48.15 C ATOM 625 HA LYS A 41 44.268 3.597 26.815 1.00 0.00 H ATOM 626 HB2 LYS A 41 45.308 5.750 27.394 1.00 0.00 H ATOM 627 HB3 LYS A 41 43.987 6.614 26.569 1.00 0.00 H ATOM 628 H LYS A 41 45.131 5.502 24.739 1.00 0.00 H ATOM 629 N TRP A 42 41.766 3.671 26.708 1.00 46.46 N ATOM 630 CA TRP A 42 40.321 3.589 26.553 1.00 46.55 C ATOM 631 C TRP A 42 39.640 3.830 27.894 1.00 45.98 C ATOM 632 O TRP A 42 40.273 3.747 28.942 1.00 46.03 O ATOM 633 CB TRP A 42 39.901 2.243 25.955 1.00 46.34 C ATOM 634 CG TRP A 42 40.419 1.034 26.681 1.00 46.08 C ATOM 635 CD1 TRP A 42 41.608 0.392 26.471 1.00 46.63 C ATOM 636 CD2 TRP A 42 39.767 0.329 27.744 1.00 45.74 C ATOM 637 NE1 TRP A 42 41.729 -0.677 27.330 1.00 46.34 N ATOM 638 CE2 TRP A 42 40.610 -0.739 28.118 1.00 45.68 C ATOM 639 CE3 TRP A 42 38.549 0.491 28.407 1.00 45.69 C ATOM 640 CZ2 TRP A 42 40.279 -1.630 29.136 1.00 46.11 C ATOM 641 CZ3 TRP A 42 38.215 -0.406 29.404 1.00 46.54 C ATOM 642 CH2 TRP A 42 39.078 -1.448 29.762 1.00 46.00 C ATOM 643 HA TRP A 42 40.004 4.365 25.856 1.00 0.00 H ATOM 644 HB2 TRP A 42 38.812 2.197 25.957 1.00 0.00 H ATOM 645 HB3 TRP A 42 40.264 2.202 24.928 1.00 0.00 H ATOM 646 HE1 TRP A 42 42.537 -1.330 27.374 1.00 0.00 H ATOM 647 HD1 TRP A 42 42.352 0.684 25.730 1.00 0.00 H ATOM 648 HZ2 TRP A 42 40.951 -2.440 29.422 1.00 0.00 H ATOM 649 HH2 TRP A 42 38.785 -2.131 30.559 1.00 0.00 H ATOM 650 HZ3 TRP A 42 37.261 -0.300 29.921 1.00 0.00 H ATOM 651 HE3 TRP A 42 37.876 1.307 28.144 1.00 0.00 H ATOM 652 H TRP A 42 42.224 3.140 27.476 1.00 0.00 H ATOM 653 N LYS A 43 38.349 4.136 27.840 1.00 45.75 N ATOM 654 CA LYS A 43 37.528 4.334 29.016 1.00 45.16 C ATOM 655 C LYS A 43 36.346 3.348 28.982 1.00 45.03 C ATOM 656 O LYS A 43 35.710 3.175 27.937 1.00 44.50 O ATOM 657 CB LYS A 43 37.030 5.779 29.061 1.00 45.61 C ATOM 658 HA LYS A 43 38.116 4.147 29.915 1.00 0.00 H ATOM 659 HB2 LYS A 43 37.884 6.455 29.098 1.00 0.00 H ATOM 660 HB3 LYS A 43 36.439 5.986 28.169 1.00 0.00 H ATOM 661 H LYS A 43 37.905 4.239 26.905 1.00 0.00 H ATOM 662 N PRO A 44 36.053 2.697 30.123 1.00 43.95 N ATOM 663 CA PRO A 44 34.889 1.820 30.170 1.00 43.98 C ATOM 664 C PRO A 44 33.601 2.614 30.003 1.00 43.51 C ATOM 665 O PRO A 44 33.454 3.692 30.573 1.00 42.88 O ATOM 666 CB PRO A 44 34.938 1.200 31.569 1.00 44.17 C ATOM 667 CG PRO A 44 36.267 1.549 32.141 1.00 44.24 C ATOM 668 CD PRO A 44 36.758 2.761 31.415 1.00 44.09 C ATOM 669 HA PRO A 44 34.905 1.078 29.372 1.00 0.00 H ATOM 670 HD3 PRO A 44 36.499 3.671 31.956 1.00 0.00 H ATOM 671 HD2 PRO A 44 37.838 2.719 31.272 1.00 0.00 H ATOM 672 HG3 PRO A 44 36.963 0.722 32.001 1.00 0.00 H ATOM 673 HG2 PRO A 44 36.171 1.764 33.205 1.00 0.00 H ATOM 674 HB2 PRO A 44 34.141 1.609 32.190 1.00 0.00 H ATOM 675 HB3 PRO A 44 34.828 0.117 31.505 1.00 0.00 H ATOM 676 N LYS A 45 32.695 2.087 29.194 1.00 43.16 N ATOM 677 CA LYS A 45 31.425 2.749 28.939 1.00 43.71 C ATOM 678 C LYS A 45 30.369 1.668 28.791 1.00 42.71 C ATOM 679 O LYS A 45 30.696 0.505 28.594 1.00 42.44 O ATOM 680 CB LYS A 45 31.521 3.622 27.681 1.00 44.01 C ATOM 681 CG LYS A 45 30.188 4.140 27.176 1.00 44.51 C ATOM 682 CD LYS A 45 30.303 5.209 26.116 1.00 45.21 C ATOM 683 CE LYS A 45 28.905 5.736 25.791 1.00 45.84 C ATOM 684 NZ LYS A 45 28.912 6.644 24.630 1.00 45.91 N ATOM 685 HA LYS A 45 31.159 3.412 29.762 1.00 0.00 H ATOM 686 HB2 LYS A 45 32.156 4.478 27.907 1.00 0.00 H ATOM 687 HB3 LYS A 45 31.980 3.030 26.889 1.00 0.00 H ATOM 688 HG2 LYS A 45 29.631 3.302 26.758 1.00 0.00 H ATOM 689 HG3 LYS A 45 29.639 4.554 28.022 1.00 0.00 H ATOM 690 HD2 LYS A 45 30.925 6.025 26.484 1.00 0.00 H ATOM 691 HD3 LYS A 45 30.753 4.787 25.218 1.00 0.00 H ATOM 692 HE2 LYS A 45 28.522 6.275 26.657 1.00 0.00 H ATOM 693 HE3 LYS A 45 28.252 4.891 25.573 1.00 0.00 H ATOM 694 HZ1 LYS A 45 29.527 7.458 24.832 1.00 0.00 H ATOM 695 HZ2 LYS A 45 29.270 6.136 23.796 1.00 0.00 H ATOM 696 HZ3 LYS A 45 27.944 6.977 24.446 1.00 0.00 H ATOM 697 H LYS A 45 32.896 1.178 28.730 1.00 0.00 H ATOM 698 N MET A 46 29.109 2.063 28.901 1.00 42.06 N ATOM 699 CA MET A 46 28.002 1.194 28.556 1.00 42.47 C ATOM 700 C MET A 46 27.116 1.855 27.498 1.00 42.32 C ATOM 701 O MET A 46 26.922 3.071 27.501 1.00 41.72 O ATOM 702 CB MET A 46 27.207 0.870 29.823 1.00 43.06 C ATOM 703 CG MET A 46 27.965 -0.006 30.811 1.00 43.28 C ATOM 704 SD MET A 46 26.973 -0.410 32.257 1.00 42.86 S ATOM 705 CE MET A 46 25.623 -1.256 31.441 1.00 42.61 C ATOM 706 HA MET A 46 28.381 0.264 28.131 1.00 0.00 H ATOM 707 HB2 MET A 46 26.951 1.807 30.318 1.00 0.00 H ATOM 708 HB3 MET A 46 26.293 0.352 29.533 1.00 0.00 H ATOM 709 HG2 MET A 46 28.861 0.524 31.136 1.00 0.00 H ATOM 710 HG3 MET A 46 28.253 -0.931 30.312 1.00 0.00 H ATOM 711 HE1 MET A 46 25.141 -0.576 30.739 1.00 0.00 H ATOM 712 HE2 MET A 46 26.010 -2.121 30.903 1.00 0.00 H ATOM 713 HE3 MET A 46 24.898 -1.584 32.186 1.00 0.00 H ATOM 714 H MET A 46 28.909 3.024 29.245 1.00 0.00 H ATOM 715 N ILE A 47 26.616 1.036 26.576 1.00 42.58 N ATOM 716 CA ILE A 47 25.691 1.469 25.540 1.00 42.47 C ATOM 717 C ILE A 47 24.501 0.521 25.441 1.00 42.18 C ATOM 718 O ILE A 47 24.611 -0.659 25.753 1.00 42.65 O ATOM 719 CB ILE A 47 26.343 1.571 24.147 1.00 42.84 C ATOM 720 CG1 ILE A 47 26.956 0.227 23.742 1.00 42.56 C ATOM 721 CG2 ILE A 47 27.340 2.703 24.119 1.00 43.75 C ATOM 722 CD1 ILE A 47 27.354 0.201 22.290 1.00 43.37 C ATOM 723 HA ILE A 47 25.366 2.465 25.840 1.00 0.00 H ATOM 724 HB ILE A 47 25.580 1.802 23.404 1.00 0.00 H ATOM 725 HG12 ILE A 47 27.840 0.045 24.353 1.00 0.00 H ATOM 726 HG13 ILE A 47 26.225 -0.561 23.921 1.00 0.00 H ATOM 727 HD11 ILE A 47 26.474 0.374 21.670 1.00 0.00 H ATOM 728 HD12 ILE A 47 28.091 0.982 22.103 1.00 0.00 H ATOM 729 HD13 ILE A 47 27.783 -0.772 22.050 1.00 0.00 H ATOM 730 HG21 ILE A 47 26.830 3.640 24.344 1.00 0.00 H ATOM 731 HG22 ILE A 47 28.115 2.521 24.864 1.00 0.00 H ATOM 732 HG23 ILE A 47 27.792 2.763 23.129 1.00 0.00 H ATOM 733 H ILE A 47 26.901 0.036 26.597 1.00 0.00 H ATOM 734 N GLY A 48 23.364 1.062 25.018 1.00 41.94 N ATOM 735 CA GLY A 48 22.117 0.320 25.025 1.00 42.04 C ATOM 736 C GLY A 48 21.516 0.188 23.645 1.00 42.02 C ATOM 737 O GLY A 48 21.849 0.921 22.710 1.00 41.44 O ATOM 738 HA3 GLY A 48 21.405 0.837 25.669 1.00 0.00 H ATOM 739 HA2 GLY A 48 22.305 -0.678 25.422 1.00 0.00 H ATOM 740 H GLY A 48 23.368 2.043 24.673 1.00 0.00 H ATOM 741 N GLY A 49 20.629 -0.788 23.519 1.00 42.56 N ATOM 742 CA GLY A 49 19.826 -0.920 22.313 1.00 42.51 C ATOM 743 C GLY A 49 18.680 -1.868 22.599 1.00 42.54 C ATOM 744 O GLY A 49 18.226 -1.975 23.740 1.00 42.42 O ATOM 745 HA3 GLY A 49 20.439 -1.318 21.504 1.00 0.00 H ATOM 746 HA2 GLY A 49 19.434 0.055 22.024 1.00 0.00 H ATOM 747 H GLY A 49 20.505 -1.470 24.294 1.00 0.00 H ATOM 748 N ILE A 50 18.213 -2.554 21.561 1.00 42.70 N ATOM 749 CA ILE A 50 17.212 -3.593 21.729 1.00 43.24 C ATOM 750 C ILE A 50 17.916 -4.736 22.451 1.00 43.37 C ATOM 751 O ILE A 50 19.035 -5.094 22.116 1.00 44.20 O ATOM 752 CB ILE A 50 16.603 -3.995 20.369 1.00 43.65 C ATOM 753 CG1 ILE A 50 15.480 -3.001 20.033 1.00 43.03 C ATOM 754 CG2 ILE A 50 16.105 -5.445 20.385 1.00 43.52 C ATOM 755 CD1 ILE A 50 14.859 -3.163 18.684 1.00 43.52 C ATOM 756 HA ILE A 50 16.358 -3.260 22.319 1.00 0.00 H ATOM 757 HB ILE A 50 17.366 -3.951 19.592 1.00 0.00 H ATOM 758 HG12 ILE A 50 14.695 -3.116 20.780 1.00 0.00 H ATOM 759 HG13 ILE A 50 15.893 -1.994 20.094 1.00 0.00 H ATOM 760 HD11 ILE A 50 15.622 -3.036 17.916 1.00 0.00 H ATOM 761 HD12 ILE A 50 14.423 -4.159 18.603 1.00 0.00 H ATOM 762 HD13 ILE A 50 14.080 -2.412 18.551 1.00 0.00 H ATOM 763 HG21 ILE A 50 16.939 -6.112 20.601 1.00 0.00 H ATOM 764 HG22 ILE A 50 15.340 -5.557 21.153 1.00 0.00 H ATOM 765 HG23 ILE A 50 15.683 -5.694 19.411 1.00 0.00 H ATOM 766 H ILE A 50 18.572 -2.342 20.608 1.00 0.00 H ATOM 767 N GLY A 51 17.281 -5.288 23.471 1.00 43.83 N ATOM 768 CA GLY A 51 17.900 -6.350 24.246 1.00 43.94 C ATOM 769 C GLY A 51 18.675 -5.826 25.434 1.00 44.13 C ATOM 770 O GLY A 51 19.178 -6.617 26.221 1.00 44.88 O ATOM 771 HA3 GLY A 51 18.582 -6.902 23.600 1.00 0.00 H ATOM 772 HA2 GLY A 51 17.120 -7.020 24.606 1.00 0.00 H ATOM 773 H GLY A 51 16.327 -4.958 23.722 1.00 0.00 H ATOM 774 N GLY A 52 18.807 -4.508 25.569 1.00 44.08 N ATOM 775 CA GLY A 52 19.427 -3.936 26.760 1.00 43.44 C ATOM 776 C GLY A 52 20.830 -3.415 26.547 1.00 43.15 C ATOM 777 O GLY A 52 21.167 -3.001 25.447 1.00 42.25 O ATOM 778 HA3 GLY A 52 19.463 -4.707 27.529 1.00 0.00 H ATOM 779 HA2 GLY A 52 18.805 -3.110 27.105 1.00 0.00 H ATOM 780 H GLY A 52 18.464 -3.878 24.816 1.00 0.00 H ATOM 781 N PHE A 53 21.650 -3.450 27.597 1.00 43.37 N ATOM 782 CA PHE A 53 22.958 -2.778 27.585 1.00 43.31 C ATOM 783 C PHE A 53 24.120 -3.747 27.518 1.00 43.28 C ATOM 784 O PHE A 53 24.000 -4.893 27.942 1.00 43.70 O ATOM 785 CB PHE A 53 23.146 -1.935 28.848 1.00 44.22 C ATOM 786 CG PHE A 53 22.397 -0.638 28.820 1.00 43.54 C ATOM 787 CD1 PHE A 53 21.036 -0.609 29.068 1.00 46.35 C ATOM 788 CD2 PHE A 53 23.049 0.542 28.511 1.00 43.93 C ATOM 789 CE1 PHE A 53 20.337 0.592 29.023 1.00 45.50 C ATOM 790 CE2 PHE A 53 22.363 1.738 28.460 1.00 44.25 C ATOM 791 CZ PHE A 53 21.007 1.763 28.712 1.00 44.59 C ATOM 792 HA PHE A 53 22.957 -2.158 26.688 1.00 0.00 H ATOM 793 HB2 PHE A 53 22.800 -2.514 29.704 1.00 0.00 H ATOM 794 HB3 PHE A 53 24.208 -1.718 28.963 1.00 0.00 H ATOM 795 HD2 PHE A 53 24.119 0.527 28.305 1.00 0.00 H ATOM 796 HE2 PHE A 53 22.891 2.661 28.221 1.00 0.00 H ATOM 797 HZ PHE A 53 20.462 2.706 28.666 1.00 0.00 H ATOM 798 HE1 PHE A 53 19.267 0.612 29.231 1.00 0.00 H ATOM 799 HD1 PHE A 53 20.508 -1.534 29.300 1.00 0.00 H ATOM 800 H PHE A 53 21.356 -3.968 28.450 1.00 0.00 H ATOM 801 N ILE A 54 25.242 -3.268 26.995 1.00 43.31 N ATOM 802 CA ILE A 54 26.488 -4.023 26.995 1.00 43.35 C ATOM 803 C ILE A 54 27.611 -3.111 27.487 1.00 43.37 C ATOM 804 O ILE A 54 27.534 -1.893 27.374 1.00 43.38 O ATOM 805 CB ILE A 54 26.833 -4.596 25.581 1.00 43.39 C ATOM 806 CG1 ILE A 54 26.970 -3.484 24.540 1.00 43.93 C ATOM 807 CG2 ILE A 54 25.770 -5.576 25.099 1.00 42.95 C ATOM 808 CD1 ILE A 54 27.659 -3.883 23.252 1.00 43.54 C ATOM 809 HA ILE A 54 26.373 -4.879 27.660 1.00 0.00 H ATOM 810 HB ILE A 54 27.786 -5.114 25.688 1.00 0.00 H ATOM 811 HG12 ILE A 54 25.969 -3.130 24.291 1.00 0.00 H ATOM 812 HG13 ILE A 54 27.540 -2.671 24.989 1.00 0.00 H ATOM 813 HD11 ILE A 54 28.670 -4.226 23.473 1.00 0.00 H ATOM 814 HD12 ILE A 54 27.098 -4.686 22.775 1.00 0.00 H ATOM 815 HD13 ILE A 54 27.704 -3.023 22.584 1.00 0.00 H ATOM 816 HG21 ILE A 54 25.699 -6.407 25.800 1.00 0.00 H ATOM 817 HG22 ILE A 54 24.808 -5.067 25.040 1.00 0.00 H ATOM 818 HG23 ILE A 54 26.045 -5.952 24.114 1.00 0.00 H ATOM 819 H ILE A 54 25.231 -2.319 26.570 1.00 0.00 H ATOM 820 N LYS A 55 28.663 -3.719 28.013 1.00 43.23 N ATOM 821 CA LYS A 55 29.887 -3.011 28.380 1.00 43.02 C ATOM 822 C LYS A 55 30.832 -2.918 27.181 1.00 43.10 C ATOM 823 O LYS A 55 31.034 -3.898 26.450 1.00 43.79 O ATOM 824 CB LYS A 55 30.575 -3.726 29.543 1.00 42.47 C ATOM 825 CG LYS A 55 29.754 -3.761 30.834 1.00 41.77 C ATOM 826 CD LYS A 55 30.239 -4.836 31.806 1.00 43.85 C ATOM 827 CE LYS A 55 31.600 -4.494 32.403 1.00 43.51 C ATOM 828 NZ LYS A 55 32.128 -5.629 33.215 1.00 42.25 N ATOM 829 HA LYS A 55 29.626 -2.000 28.691 1.00 0.00 H ATOM 830 HB2 LYS A 55 30.779 -4.753 29.240 1.00 0.00 H ATOM 831 HB3 LYS A 55 31.516 -3.215 29.750 1.00 0.00 H ATOM 832 HG2 LYS A 55 29.827 -2.789 31.322 1.00 0.00 H ATOM 833 HG3 LYS A 55 28.713 -3.962 30.581 1.00 0.00 H ATOM 834 HD2 LYS A 55 29.514 -4.933 32.614 1.00 0.00 H ATOM 835 HD3 LYS A 55 30.316 -5.784 31.273 1.00 0.00 H ATOM 836 HE2 LYS A 55 31.499 -3.616 33.041 1.00 0.00 H ATOM 837 HE3 LYS A 55 32.299 -4.277 31.596 1.00 0.00 H ATOM 838 HZ1 LYS A 55 31.466 -5.837 33.990 1.00 0.00 H ATOM 839 HZ2 LYS A 55 32.230 -6.469 32.610 1.00 0.00 H ATOM 840 HZ3 LYS A 55 33.055 -5.370 33.609 1.00 0.00 H ATOM 841 H LYS A 55 28.616 -4.746 28.172 1.00 0.00 H ATOM 842 N VAL A 56 31.408 -1.733 26.991 1.00 42.82 N ATOM 843 CA VAL A 56 32.329 -1.472 25.899 1.00 41.98 C ATOM 844 C VAL A 56 33.547 -0.681 26.394 1.00 42.31 C ATOM 845 O VAL A 56 33.522 -0.079 27.461 1.00 41.72 O ATOM 846 CB VAL A 56 31.635 -0.728 24.720 1.00 42.27 C ATOM 847 CG1 VAL A 56 30.466 -1.542 24.172 1.00 42.49 C ATOM 848 CG2 VAL A 56 31.176 0.670 25.117 1.00 40.74 C ATOM 849 HA VAL A 56 32.668 -2.437 25.522 1.00 0.00 H ATOM 850 HB VAL A 56 32.379 -0.616 23.931 1.00 0.00 H ATOM 851 HG11 VAL A 56 30.832 -2.504 23.812 1.00 0.00 H ATOM 852 HG12 VAL A 56 29.734 -1.703 24.964 1.00 0.00 H ATOM 853 HG13 VAL A 56 30.000 -0.999 23.350 1.00 0.00 H ATOM 854 HG21 VAL A 56 30.465 0.598 25.940 1.00 0.00 H ATOM 855 HG22 VAL A 56 32.038 1.259 25.431 1.00 0.00 H ATOM 856 HG23 VAL A 56 30.698 1.150 24.263 1.00 0.00 H ATOM 857 H VAL A 56 31.189 -0.961 27.653 1.00 0.00 H ATOM 858 N ARG A 57 34.598 -0.677 25.581 1.00 42.00 N ATOM 859 CA ARG A 57 35.775 0.150 25.776 1.00 42.51 C ATOM 860 C ARG A 57 35.647 1.300 24.787 1.00 42.57 C ATOM 861 O ARG A 57 35.382 1.070 23.602 1.00 43.52 O ATOM 862 CB ARG A 57 37.031 -0.654 25.475 1.00 42.59 C ATOM 863 CG ARG A 57 36.956 -2.060 26.039 1.00 43.18 C ATOM 864 CD ARG A 57 38.329 -2.650 26.177 1.00 43.80 C ATOM 865 NE ARG A 57 39.030 -2.784 24.905 1.00 43.67 N ATOM 866 CZ ARG A 57 39.105 -3.916 24.210 1.00 45.96 C ATOM 867 NH1 ARG A 57 38.486 -5.008 24.633 1.00 46.25 N ATOM 868 NH2 ARG A 57 39.804 -3.965 23.085 1.00 45.94 N ATOM 869 HA ARG A 57 35.847 0.508 26.803 1.00 0.00 H ATOM 870 HB2 ARG A 57 37.160 -0.715 24.394 1.00 0.00 H ATOM 871 HB3 ARG A 57 37.889 -0.144 25.914 1.00 0.00 H ATOM 872 HG2 ARG A 57 36.480 -2.028 27.019 1.00 0.00 H ATOM 873 HG3 ARG A 57 36.364 -2.684 25.369 1.00 0.00 H ATOM 874 HD2 ARG A 57 38.238 -3.638 26.628 1.00 0.00 H ATOM 875 HD3 ARG A 57 38.918 -2.007 26.831 1.00 0.00 H ATOM 876 HE ARG A 57 39.501 -1.942 24.517 1.00 0.00 H ATOM 877 HH12 ARG A 57 38.550 -5.888 24.083 1.00 0.00 H ATOM 878 HH11 ARG A 57 37.936 -4.985 25.515 1.00 0.00 H ATOM 879 HH22 ARG A 57 39.859 -4.852 22.545 1.00 0.00 H ATOM 880 HH21 ARG A 57 40.297 -3.116 22.742 1.00 0.00 H ATOM 881 H ARG A 57 34.576 -1.306 24.753 1.00 0.00 H ATOM 882 N GLN A 58 35.752 2.526 25.284 1.00 42.06 N ATOM 883 CA GLN A 58 35.692 3.717 24.435 1.00 42.61 C ATOM 884 C GLN A 58 37.101 4.211 24.092 1.00 42.42 C ATOM 885 O GLN A 58 37.876 4.596 24.972 1.00 42.33 O ATOM 886 CB GLN A 58 34.905 4.843 25.121 1.00 42.70 C ATOM 887 CG GLN A 58 34.794 6.115 24.281 1.00 42.16 C ATOM 888 CD GLN A 58 34.022 7.233 24.948 1.00 43.29 C ATOM 889 OE1 GLN A 58 33.041 6.993 25.643 1.00 44.25 O ATOM 890 NE2 GLN A 58 34.427 8.469 24.689 1.00 42.69 N ATOM 891 HA GLN A 58 35.178 3.439 23.515 1.00 0.00 H ATOM 892 HB2 GLN A 58 33.899 4.481 25.332 1.00 0.00 H ATOM 893 HB3 GLN A 58 35.404 5.091 26.058 1.00 0.00 H ATOM 894 HG2 GLN A 58 35.801 6.474 24.069 1.00 0.00 H ATOM 895 HG3 GLN A 58 34.294 5.865 23.345 1.00 0.00 H ATOM 896 HE22 GLN A 58 35.265 8.628 24.094 1.00 0.00 H ATOM 897 HE21 GLN A 58 33.906 9.280 25.081 1.00 0.00 H ATOM 898 H GLN A 58 35.881 2.644 26.309 1.00 0.00 H ATOM 899 N TYR A 59 37.410 4.203 22.799 1.00 42.67 N ATOM 900 CA TYR A 59 38.629 4.804 22.263 1.00 42.43 C ATOM 901 C TYR A 59 38.247 6.080 21.523 1.00 42.49 C ATOM 902 O TYR A 59 37.376 6.067 20.663 1.00 41.81 O ATOM 903 CB TYR A 59 39.296 3.857 21.265 1.00 42.44 C ATOM 904 CG TYR A 59 39.776 2.554 21.855 1.00 42.05 C ATOM 905 CD1 TYR A 59 38.912 1.478 22.012 1.00 41.37 C ATOM 906 CD2 TYR A 59 41.097 2.399 22.260 1.00 42.23 C ATOM 907 CE1 TYR A 59 39.345 0.290 22.545 1.00 40.98 C ATOM 908 CE2 TYR A 59 41.543 1.206 22.778 1.00 42.36 C ATOM 909 CZ TYR A 59 40.665 0.155 22.924 1.00 41.64 C ATOM 910 OH TYR A 59 41.114 -1.031 23.458 1.00 41.16 O ATOM 911 HA TYR A 59 39.318 5.009 23.082 1.00 0.00 H ATOM 912 HB3 TYR A 59 40.154 4.370 20.831 1.00 0.00 H ATOM 913 HB2 TYR A 59 38.576 3.629 20.479 1.00 0.00 H ATOM 914 HD2 TYR A 59 41.789 3.236 22.165 1.00 0.00 H ATOM 915 HE2 TYR A 59 42.587 1.093 23.072 1.00 0.00 H ATOM 916 HE1 TYR A 59 38.651 -0.541 22.668 1.00 0.00 H ATOM 917 HD1 TYR A 59 37.871 1.579 21.706 1.00 0.00 H ATOM 918 HH TYR A 59 40.366 -1.679 23.495 1.00 0.00 H ATOM 919 H TYR A 59 36.751 3.746 22.136 1.00 0.00 H ATOM 920 N ASP A 60 38.874 7.197 21.868 1.00 42.01 N ATOM 921 CA ASP A 60 38.586 8.463 21.188 1.00 42.07 C ATOM 922 C ASP A 60 39.589 8.767 20.069 1.00 41.46 C ATOM 923 O ASP A 60 40.704 8.277 20.087 1.00 40.44 O ATOM 924 CB ASP A 60 38.622 9.615 22.189 1.00 42.01 C ATOM 925 CG ASP A 60 37.459 9.580 23.149 1.00 42.98 C ATOM 926 OD1 ASP A 60 36.352 9.164 22.757 1.00 42.77 O ATOM 927 OD2 ASP A 60 37.657 10.012 24.299 1.00 47.31 O ATOM 928 HA ASP A 60 37.595 8.362 20.746 1.00 0.00 H ATOM 929 HB2 ASP A 60 39.549 9.555 22.759 1.00 0.00 H ATOM 930 HB3 ASP A 60 38.595 10.557 21.641 1.00 0.00 H ATOM 931 H ASP A 60 39.580 7.174 22.632 1.00 0.00 H ATOM 932 N GLN A 61 39.176 9.595 19.113 1.00 41.51 N ATOM 933 CA GLN A 61 40.056 10.137 18.077 1.00 41.19 C ATOM 934 C GLN A 61 40.805 9.040 17.330 1.00 41.16 C ATOM 935 O GLN A 61 41.997 9.173 17.070 1.00 40.76 O ATOM 936 CB GLN A 61 41.033 11.149 18.688 1.00 41.09 C ATOM 937 CG GLN A 61 41.430 12.290 17.751 1.00 41.60 C ATOM 938 CD GLN A 61 42.192 13.381 18.468 1.00 40.42 C ATOM 939 OE1 GLN A 61 41.932 13.642 19.645 1.00 40.32 O ATOM 940 NE2 GLN A 61 43.145 14.007 17.779 1.00 37.13 N ATOM 941 HA GLN A 61 39.430 10.648 17.345 1.00 0.00 H ATOM 942 HB2 GLN A 61 40.567 11.581 19.573 1.00 0.00 H ATOM 943 HB3 GLN A 61 41.938 10.616 18.979 1.00 0.00 H ATOM 944 HG2 GLN A 61 42.057 11.889 16.955 1.00 0.00 H ATOM 945 HG3 GLN A 61 40.526 12.719 17.318 1.00 0.00 H ATOM 946 HE22 GLN A 61 43.325 13.749 16.788 1.00 0.00 H ATOM 947 HE21 GLN A 61 43.709 14.754 18.232 1.00 0.00 H ATOM 948 H GLN A 61 38.174 9.872 19.101 1.00 0.00 H ATOM 949 N ILE A 62 40.090 7.975 16.968 1.00 40.55 N ATOM 950 CA ILE A 62 40.665 6.839 16.242 1.00 40.41 C ATOM 951 C ILE A 62 40.430 6.987 14.740 1.00 39.88 C ATOM 952 O ILE A 62 39.280 7.124 14.321 1.00 40.46 O ATOM 953 CB ILE A 62 40.020 5.513 16.703 1.00 40.71 C ATOM 954 CG1 ILE A 62 40.346 5.226 18.172 1.00 40.25 C ATOM 955 CG2 ILE A 62 40.434 4.348 15.805 1.00 40.91 C ATOM 956 CD1 ILE A 62 41.808 5.000 18.511 1.00 39.91 C ATOM 957 HA ILE A 62 41.734 6.824 16.452 1.00 0.00 H ATOM 958 HB ILE A 62 38.939 5.623 16.616 1.00 0.00 H ATOM 959 HG12 ILE A 62 39.997 6.074 18.761 1.00 0.00 H ATOM 960 HG13 ILE A 62 39.796 4.332 18.465 1.00 0.00 H ATOM 961 HD11 ILE A 62 42.181 4.143 17.950 1.00 0.00 H ATOM 962 HD12 ILE A 62 42.382 5.888 18.246 1.00 0.00 H ATOM 963 HD13 ILE A 62 41.906 4.807 19.579 1.00 0.00 H ATOM 964 HG21 ILE A 62 40.117 4.549 14.782 1.00 0.00 H ATOM 965 HG22 ILE A 62 41.518 4.235 15.836 1.00 0.00 H ATOM 966 HG23 ILE A 62 39.961 3.432 16.159 1.00 0.00 H ATOM 967 H ILE A 62 39.079 7.949 17.211 1.00 0.00 H ATOM 968 N PRO A 63 41.499 6.990 13.924 1.00 39.70 N ATOM 969 CA PRO A 63 41.301 7.042 12.482 1.00 40.29 C ATOM 970 C PRO A 63 40.693 5.764 11.918 1.00 41.10 C ATOM 971 O PRO A 63 41.097 4.649 12.286 1.00 41.62 O ATOM 972 CB PRO A 63 42.721 7.252 11.931 1.00 39.87 C ATOM 973 CG PRO A 63 43.485 7.803 13.081 1.00 39.31 C ATOM 974 CD PRO A 63 42.937 7.032 14.242 1.00 39.91 C ATOM 975 HA PRO A 63 40.598 7.827 12.204 1.00 0.00 H ATOM 976 HD3 PRO A 63 43.363 6.030 14.290 1.00 0.00 H ATOM 977 HD2 PRO A 63 43.121 7.549 15.184 1.00 0.00 H ATOM 978 HG3 PRO A 63 43.304 8.871 13.198 1.00 0.00 H ATOM 979 HG2 PRO A 63 44.554 7.628 12.963 1.00 0.00 H ATOM 980 HB2 PRO A 63 43.150 6.307 11.599 1.00 0.00 H ATOM 981 HB3 PRO A 63 42.712 7.957 11.100 1.00 0.00 H ATOM 982 N ILE A 64 39.736 5.949 11.016 1.00 41.45 N ATOM 983 CA ILE A 64 39.113 4.840 10.316 1.00 41.99 C ATOM 984 C ILE A 64 38.722 5.301 8.909 1.00 42.32 C ATOM 985 O ILE A 64 38.194 6.398 8.720 1.00 42.93 O ATOM 986 CB ILE A 64 37.956 4.258 11.163 1.00 42.44 C ATOM 987 CG1 ILE A 64 37.091 3.269 10.387 1.00 41.65 C ATOM 988 CG2 ILE A 64 37.113 5.366 11.786 1.00 43.74 C ATOM 989 CD1 ILE A 64 36.141 2.561 11.318 1.00 42.98 C ATOM 990 HA ILE A 64 39.805 4.009 10.182 1.00 0.00 H ATOM 991 HB ILE A 64 38.420 3.691 11.970 1.00 0.00 H ATOM 992 HG12 ILE A 64 36.519 3.807 9.631 1.00 0.00 H ATOM 993 HG13 ILE A 64 37.733 2.534 9.901 1.00 0.00 H ATOM 994 HD11 ILE A 64 36.711 2.020 12.073 1.00 0.00 H ATOM 995 HD12 ILE A 64 35.496 3.294 11.803 1.00 0.00 H ATOM 996 HD13 ILE A 64 35.532 1.859 10.748 1.00 0.00 H ATOM 997 HG21 ILE A 64 37.741 5.980 12.432 1.00 0.00 H ATOM 998 HG22 ILE A 64 36.688 5.985 10.996 1.00 0.00 H ATOM 999 HG23 ILE A 64 36.310 4.922 12.374 1.00 0.00 H ATOM 1000 H ILE A 64 39.423 6.918 10.805 1.00 0.00 H ATOM 1001 N GLU A 65 39.049 4.478 7.922 1.00 41.76 N ATOM 1002 CA GLU A 65 38.638 4.729 6.548 1.00 42.13 C ATOM 1003 C GLU A 65 37.413 3.866 6.217 1.00 41.62 C ATOM 1004 O GLU A 65 37.429 2.651 6.385 1.00 40.82 O ATOM 1005 CB GLU A 65 39.798 4.412 5.609 1.00 42.02 C ATOM 1006 CG GLU A 65 39.583 4.768 4.155 1.00 42.37 C ATOM 1007 CD GLU A 65 40.749 4.316 3.293 1.00 43.19 C ATOM 1008 OE1 GLU A 65 40.550 3.373 2.502 1.00 44.93 O ATOM 1009 OE2 GLU A 65 41.862 4.864 3.437 1.00 42.51 O ATOM 1010 HA GLU A 65 38.366 5.777 6.423 1.00 0.00 H ATOM 1011 HB2 GLU A 65 40.673 4.958 5.962 1.00 0.00 H ATOM 1012 HB3 GLU A 65 39.992 3.341 5.666 1.00 0.00 H ATOM 1013 HG2 GLU A 65 38.673 4.283 3.802 1.00 0.00 H ATOM 1014 HG3 GLU A 65 39.475 5.849 4.067 1.00 0.00 H ATOM 1015 H GLU A 65 39.614 3.631 8.135 1.00 0.00 H ATOM 1016 N ILE A 66 36.342 4.504 5.766 1.00 41.81 N ATOM 1017 CA ILE A 66 35.073 3.817 5.554 1.00 42.32 C ATOM 1018 C ILE A 66 34.804 3.933 4.064 1.00 42.91 C ATOM 1019 O ILE A 66 34.592 5.034 3.559 1.00 42.57 O ATOM 1020 CB ILE A 66 33.934 4.459 6.360 1.00 42.32 C ATOM 1021 CG1 ILE A 66 34.248 4.409 7.862 1.00 42.40 C ATOM 1022 CG2 ILE A 66 32.598 3.774 6.046 1.00 41.72 C ATOM 1023 CD1 ILE A 66 33.475 5.400 8.725 1.00 42.83 C ATOM 1024 HA ILE A 66 35.125 2.781 5.888 1.00 0.00 H ATOM 1025 HB ILE A 66 33.846 5.506 6.070 1.00 0.00 H ATOM 1026 HG12 ILE A 66 34.023 3.404 8.220 1.00 0.00 H ATOM 1027 HG13 ILE A 66 35.312 4.609 7.990 1.00 0.00 H ATOM 1028 HD11 ILE A 66 33.696 6.416 8.397 1.00 0.00 H ATOM 1029 HD12 ILE A 66 32.406 5.210 8.626 1.00 0.00 H ATOM 1030 HD13 ILE A 66 33.772 5.281 9.767 1.00 0.00 H ATOM 1031 HG21 ILE A 66 32.380 3.876 4.983 1.00 0.00 H ATOM 1032 HG22 ILE A 66 32.663 2.717 6.305 1.00 0.00 H ATOM 1033 HG23 ILE A 66 31.805 4.244 6.627 1.00 0.00 H ATOM 1034 H ILE A 66 36.408 5.521 5.558 1.00 0.00 H ATOM 1035 N CYS A 67 34.784 2.799 3.375 1.00 43.56 N ATOM 1036 CA CYS A 67 35.064 2.794 1.951 1.00 45.29 C ATOM 1037 C CYS A 67 36.431 3.451 1.836 1.00 45.42 C ATOM 1038 O CYS A 67 37.398 2.995 2.477 1.00 46.61 O ATOM 1039 CB CYS A 67 33.990 3.511 1.131 1.00 45.56 C ATOM 1040 SG CYS A 67 32.418 2.609 1.006 1.00 50.22 S ATOM 1041 HA CYS A 67 35.060 1.785 1.539 1.00 0.00 H ATOM 1042 HB2 CYS A 67 34.376 3.666 0.123 1.00 0.00 H ATOM 1043 HB3 CYS A 67 33.793 4.477 1.596 1.00 0.00 H ATOM 1044 HG CYS A 67 32.637 1.387 0.404 1.00 0.00 H ATOM 1045 H CYS A 67 34.566 1.905 3.860 1.00 0.00 H ATOM 1046 N GLY A 68 36.522 4.513 1.043 1.00 45.39 N ATOM 1047 CA GLY A 68 37.786 5.232 0.897 1.00 44.47 C ATOM 1048 C GLY A 68 37.748 6.584 1.577 1.00 44.12 C ATOM 1049 O GLY A 68 38.598 7.427 1.318 1.00 44.43 O ATOM 1050 HA3 GLY A 68 37.989 5.376 -0.164 1.00 0.00 H ATOM 1051 HA2 GLY A 68 38.584 4.636 1.341 1.00 0.00 H ATOM 1052 H GLY A 68 35.684 4.837 0.520 1.00 0.00 H ATOM 1053 N HIS A 69 36.762 6.803 2.441 1.00 43.57 N ATOM 1054 CA HIS A 69 36.580 8.106 3.078 1.00 43.25 C ATOM 1055 C HIS A 69 37.168 8.083 4.482 1.00 42.72 C ATOM 1056 O HIS A 69 36.921 7.157 5.248 1.00 42.50 O ATOM 1057 CB HIS A 69 35.097 8.474 3.144 1.00 42.96 C ATOM 1058 CG HIS A 69 34.466 8.718 1.808 1.00 43.12 C ATOM 1059 ND1 HIS A 69 33.951 9.943 1.441 1.00 45.61 N ATOM 1060 CD2 HIS A 69 34.242 7.888 0.762 1.00 43.80 C ATOM 1061 CE1 HIS A 69 33.448 9.860 0.222 1.00 45.41 C ATOM 1062 NE2 HIS A 69 33.617 8.624 -0.214 1.00 44.75 N ATOM 1063 HA HIS A 69 37.097 8.857 2.481 1.00 0.00 H ATOM 1064 HB2 HIS A 69 34.563 7.658 3.631 1.00 0.00 H ATOM 1065 HB3 HIS A 69 34.995 9.380 3.741 1.00 0.00 H ATOM 1066 HD2 HIS A 69 34.508 6.833 0.705 1.00 0.00 H ATOM 1067 HE1 HIS A 69 32.975 10.672 -0.330 1.00 0.00 H ATOM 1068 H HIS A 69 36.105 6.030 2.669 1.00 0.00 H ATOM 1069 N LYS A 70 37.888 9.140 4.840 1.00 42.93 N ATOM 1070 CA LYS A 70 38.625 9.190 6.096 1.00 42.77 C ATOM 1071 C LYS A 70 37.765 9.803 7.198 1.00 42.27 C ATOM 1072 O LYS A 70 37.068 10.800 6.991 1.00 42.15 O ATOM 1073 CB LYS A 70 39.964 9.932 5.915 1.00 43.07 C ATOM 1074 HA LYS A 70 38.865 8.173 6.405 1.00 0.00 H ATOM 1075 HB2 LYS A 70 40.569 9.412 5.172 1.00 0.00 H ATOM 1076 HB3 LYS A 70 39.771 10.951 5.579 1.00 0.00 H ATOM 1077 H LYS A 70 37.927 9.960 4.202 1.00 0.00 H ATOM 1078 N ALA A 71 37.806 9.173 8.368 1.00 41.57 N ATOM 1079 CA ALA A 71 37.139 9.687 9.561 1.00 41.47 C ATOM 1080 C ALA A 71 38.112 9.526 10.722 1.00 41.60 C ATOM 1081 O ALA A 71 39.028 8.697 10.675 1.00 40.96 O ATOM 1082 CB ALA A 71 35.842 8.926 9.815 1.00 41.18 C ATOM 1083 HA ALA A 71 36.870 10.736 9.438 1.00 0.00 H ATOM 1084 HB1 ALA A 71 35.179 9.045 8.958 1.00 0.00 H ATOM 1085 HB2 ALA A 71 36.065 7.869 9.960 1.00 0.00 H ATOM 1086 HB3 ALA A 71 35.358 9.322 10.708 1.00 0.00 H ATOM 1087 H ALA A 71 38.334 8.279 8.436 1.00 0.00 H ATOM 1088 N ILE A 72 37.971 10.382 11.729 1.00 40.64 N ATOM 1089 CA ILE A 72 38.730 10.220 12.962 1.00 40.43 C ATOM 1090 C ILE A 72 37.764 10.545 14.086 1.00 40.31 C ATOM 1091 O ILE A 72 37.335 11.688 14.241 1.00 39.54 O ATOM 1092 CB ILE A 72 39.952 11.157 13.052 1.00 39.81 C ATOM 1093 CG1 ILE A 72 40.840 11.030 11.810 1.00 39.47 C ATOM 1094 CG2 ILE A 72 40.755 10.840 14.301 1.00 40.06 C ATOM 1095 CD1 ILE A 72 42.050 11.950 11.846 1.00 39.61 C ATOM 1096 HA ILE A 72 39.127 9.206 13.013 1.00 0.00 H ATOM 1097 HB ILE A 72 39.591 12.184 13.105 1.00 0.00 H ATOM 1098 HG12 ILE A 72 41.189 10.000 11.736 1.00 0.00 H ATOM 1099 HG13 ILE A 72 40.244 11.274 10.931 1.00 0.00 H ATOM 1100 HD11 ILE A 72 41.716 12.986 11.909 1.00 0.00 H ATOM 1101 HD12 ILE A 72 42.661 11.710 12.716 1.00 0.00 H ATOM 1102 HD13 ILE A 72 42.637 11.811 10.938 1.00 0.00 H ATOM 1103 HG21 ILE A 72 40.127 10.981 15.181 1.00 0.00 H ATOM 1104 HG22 ILE A 72 41.096 9.806 14.259 1.00 0.00 H ATOM 1105 HG23 ILE A 72 41.616 11.506 14.357 1.00 0.00 H ATOM 1106 H ILE A 72 37.309 11.179 11.635 1.00 0.00 H ATOM 1107 N GLY A 73 37.455 9.542 14.896 1.00 40.54 N ATOM 1108 CA GLY A 73 36.456 9.740 15.931 1.00 39.84 C ATOM 1109 C GLY A 73 36.408 8.615 16.937 1.00 39.72 C ATOM 1110 O GLY A 73 37.293 7.756 16.994 1.00 39.15 O ATOM 1111 HA3 GLY A 73 35.478 9.823 15.457 1.00 0.00 H ATOM 1112 HA2 GLY A 73 36.682 10.667 16.458 1.00 0.00 H ATOM 1113 H GLY A 73 37.925 8.620 14.791 1.00 0.00 H ATOM 1114 N THR A 74 35.341 8.658 17.728 1.00 40.02 N ATOM 1115 CA THR A 74 35.120 7.735 18.829 1.00 39.90 C ATOM 1116 C THR A 74 34.675 6.374 18.297 1.00 40.49 C ATOM 1117 O THR A 74 33.730 6.228 17.505 1.00 39.67 O ATOM 1118 CB THR A 74 34.137 8.333 19.852 1.00 40.38 C ATOM 1119 OG1 THR A 74 34.671 9.568 20.335 1.00 38.31 O ATOM 1120 CG2 THR A 74 33.930 7.423 21.054 1.00 40.61 C ATOM 1121 HA THR A 74 36.058 7.575 19.361 1.00 0.00 H ATOM 1122 HB THR A 74 33.181 8.467 19.346 1.00 0.00 H ATOM 1123 HG1 THR A 74 35.546 9.401 20.767 1.00 0.00 H ATOM 1124 HG23 THR A 74 33.522 6.469 20.720 1.00 0.00 H ATOM 1125 HG21 THR A 74 34.886 7.257 21.551 1.00 0.00 H ATOM 1126 HG22 THR A 74 33.234 7.894 21.749 1.00 0.00 H ATOM 1127 H THR A 74 34.626 9.391 17.550 1.00 0.00 H ATOM 1128 N VAL A 75 35.429 5.367 18.719 1.00 39.84 N ATOM 1129 CA VAL A 75 35.109 3.991 18.378 1.00 40.07 C ATOM 1130 C VAL A 75 34.990 3.174 19.650 1.00 39.55 C ATOM 1131 O VAL A 75 35.916 3.124 20.457 1.00 39.61 O ATOM 1132 CB VAL A 75 36.222 3.410 17.483 1.00 40.11 C ATOM 1133 CG1 VAL A 75 35.994 1.937 17.198 1.00 42.23 C ATOM 1134 CG2 VAL A 75 36.319 4.231 16.214 1.00 40.20 C ATOM 1135 HA VAL A 75 34.163 3.957 17.838 1.00 0.00 H ATOM 1136 HB VAL A 75 37.175 3.471 18.008 1.00 0.00 H ATOM 1137 HG11 VAL A 75 35.982 1.384 18.137 1.00 0.00 H ATOM 1138 HG12 VAL A 75 35.039 1.810 16.688 1.00 0.00 H ATOM 1139 HG13 VAL A 75 36.798 1.562 16.565 1.00 0.00 H ATOM 1140 HG21 VAL A 75 35.367 4.194 15.685 1.00 0.00 H ATOM 1141 HG22 VAL A 75 36.555 5.264 16.468 1.00 0.00 H ATOM 1142 HG23 VAL A 75 37.105 3.823 15.578 1.00 0.00 H ATOM 1143 H VAL A 75 36.265 5.566 19.305 1.00 0.00 H ATOM 1144 N LEU A 76 33.833 2.543 19.812 1.00 39.69 N ATOM 1145 CA LEU A 76 33.561 1.662 20.939 1.00 39.50 C ATOM 1146 C LEU A 76 33.851 0.228 20.517 1.00 39.09 C ATOM 1147 O LEU A 76 33.582 -0.153 19.378 1.00 38.79 O ATOM 1148 CB LEU A 76 32.106 1.766 21.408 1.00 38.99 C ATOM 1149 CG LEU A 76 31.591 3.189 21.615 1.00 38.65 C ATOM 1150 CD1 LEU A 76 30.139 3.176 22.046 1.00 39.37 C ATOM 1151 CD2 LEU A 76 32.447 3.947 22.633 1.00 37.70 C ATOM 1152 HA LEU A 76 34.199 1.962 21.770 1.00 0.00 H ATOM 1153 HB2 LEU A 76 31.475 1.284 20.661 1.00 0.00 H ATOM 1154 HB3 LEU A 76 32.018 1.234 22.355 1.00 0.00 H ATOM 1155 HG LEU A 76 31.664 3.711 20.661 1.00 0.00 H ATOM 1156 HD21 LEU A 76 32.420 3.425 23.589 1.00 0.00 H ATOM 1157 HD22 LEU A 76 33.475 3.998 22.275 1.00 0.00 H ATOM 1158 HD23 LEU A 76 32.054 4.956 22.757 1.00 0.00 H ATOM 1159 HD11 LEU A 76 29.537 2.692 21.277 1.00 0.00 H ATOM 1160 HD12 LEU A 76 30.044 2.627 22.983 1.00 0.00 H ATOM 1161 HD13 LEU A 76 29.794 4.200 22.187 1.00 0.00 H ATOM 1162 H LEU A 76 33.087 2.684 19.101 1.00 0.00 H ATOM 1163 N VAL A 77 34.399 -0.547 21.447 1.00 38.72 N ATOM 1164 CA VAL A 77 34.802 -1.919 21.178 1.00 38.88 C ATOM 1165 C VAL A 77 34.156 -2.790 22.256 1.00 38.60 C ATOM 1166 O VAL A 77 34.291 -2.536 23.456 1.00 37.91 O ATOM 1167 CB VAL A 77 36.337 -2.071 21.194 1.00 39.21 C ATOM 1168 CG1 VAL A 77 36.741 -3.536 21.137 1.00 40.19 C ATOM 1169 CG2 VAL A 77 37.001 -1.273 20.070 1.00 39.03 C ATOM 1170 HA VAL A 77 34.475 -2.223 20.183 1.00 0.00 H ATOM 1171 HB VAL A 77 36.693 -1.657 22.137 1.00 0.00 H ATOM 1172 HG11 VAL A 77 36.329 -4.059 22.000 1.00 0.00 H ATOM 1173 HG12 VAL A 77 36.355 -3.983 20.221 1.00 0.00 H ATOM 1174 HG13 VAL A 77 37.828 -3.613 21.150 1.00 0.00 H ATOM 1175 HG21 VAL A 77 36.632 -1.628 19.108 1.00 0.00 H ATOM 1176 HG22 VAL A 77 36.761 -0.216 20.186 1.00 0.00 H ATOM 1177 HG23 VAL A 77 38.081 -1.409 20.119 1.00 0.00 H ATOM 1178 H VAL A 77 34.545 -0.159 22.401 1.00 0.00 H ATOM 1179 N GLY A 78 33.423 -3.804 21.816 1.00 38.47 N ATOM 1180 CA GLY A 78 32.774 -4.722 22.736 1.00 38.17 C ATOM 1181 C GLY A 78 31.979 -5.788 22.011 1.00 38.34 C ATOM 1182 O GLY A 78 32.176 -6.005 20.804 1.00 38.11 O ATOM 1183 HA3 GLY A 78 32.100 -4.157 23.380 1.00 0.00 H ATOM 1184 HA2 GLY A 78 33.536 -5.206 23.346 1.00 0.00 H ATOM 1185 H GLY A 78 33.311 -3.945 20.792 1.00 0.00 H ATOM 1186 N PRO A 79 31.110 -6.495 22.758 1.00 38.06 N ATOM 1187 CA PRO A 79 30.384 -7.656 22.229 1.00 37.73 C ATOM 1188 C PRO A 79 29.129 -7.278 21.447 1.00 37.18 C ATOM 1189 O PRO A 79 28.040 -7.766 21.722 1.00 36.10 O ATOM 1190 CB PRO A 79 30.044 -8.441 23.491 1.00 37.71 C ATOM 1191 CG PRO A 79 29.793 -7.373 24.506 1.00 38.14 C ATOM 1192 CD PRO A 79 30.813 -6.288 24.185 1.00 38.50 C ATOM 1193 HA PRO A 79 30.974 -8.217 21.505 1.00 0.00 H ATOM 1194 HD3 PRO A 79 30.392 -5.297 24.354 1.00 0.00 H ATOM 1195 HD2 PRO A 79 31.712 -6.408 24.790 1.00 0.00 H ATOM 1196 HG3 PRO A 79 29.945 -7.757 25.515 1.00 0.00 H ATOM 1197 HG2 PRO A 79 28.778 -6.986 24.415 1.00 0.00 H ATOM 1198 HB2 PRO A 79 29.155 -9.054 23.342 1.00 0.00 H ATOM 1199 HB3 PRO A 79 30.877 -9.077 23.791 1.00 0.00 H ATOM 1200 N THR A 80 29.312 -6.416 20.459 1.00 37.04 N ATOM 1201 CA THR A 80 28.274 -6.106 19.481 1.00 37.18 C ATOM 1202 C THR A 80 28.109 -7.318 18.570 1.00 37.09 C ATOM 1203 O THR A 80 29.096 -8.003 18.251 1.00 36.67 O ATOM 1204 CB THR A 80 28.656 -4.856 18.653 1.00 36.93 C ATOM 1205 OG1 THR A 80 27.628 -4.555 17.697 1.00 38.01 O ATOM 1206 CG2 THR A 80 29.987 -5.025 17.930 1.00 37.94 C ATOM 1207 HA THR A 80 27.336 -5.886 19.991 1.00 0.00 H ATOM 1208 HB THR A 80 28.760 -4.031 19.357 1.00 0.00 H ATOM 1209 HG1 THR A 80 27.512 -5.325 17.085 1.00 0.00 H ATOM 1210 HG23 THR A 80 30.767 -5.253 18.656 1.00 0.00 H ATOM 1211 HG21 THR A 80 29.908 -5.841 17.211 1.00 0.00 H ATOM 1212 HG22 THR A 80 30.235 -4.101 17.407 1.00 0.00 H ATOM 1213 H THR A 80 30.233 -5.940 20.376 1.00 0.00 H ATOM 1214 N PRO A 81 26.867 -7.598 18.152 1.00 36.89 N ATOM 1215 CA PRO A 81 26.620 -8.684 17.208 1.00 37.38 C ATOM 1216 C PRO A 81 27.322 -8.551 15.871 1.00 37.67 C ATOM 1217 O PRO A 81 27.630 -9.562 15.236 1.00 37.55 O ATOM 1218 CB PRO A 81 25.112 -8.612 16.966 1.00 36.74 C ATOM 1219 CG PRO A 81 24.573 -7.908 18.137 1.00 37.62 C ATOM 1220 CD PRO A 81 25.616 -6.971 18.613 1.00 36.97 C ATOM 1221 HA PRO A 81 26.996 -9.618 17.626 1.00 0.00 H ATOM 1222 HD3 PRO A 81 25.487 -5.984 18.170 1.00 0.00 H ATOM 1223 HD2 PRO A 81 25.599 -6.885 19.699 1.00 0.00 H ATOM 1224 HG3 PRO A 81 24.329 -8.624 18.922 1.00 0.00 H ATOM 1225 HG2 PRO A 81 23.675 -7.356 17.859 1.00 0.00 H ATOM 1226 HB2 PRO A 81 24.896 -8.058 16.052 1.00 0.00 H ATOM 1227 HB3 PRO A 81 24.687 -9.613 16.891 1.00 0.00 H ATOM 1228 N VAL A 82 27.487 -7.302 15.441 1.00 38.25 N ATOM 1229 CA VAL A 82 28.093 -6.952 14.161 1.00 38.67 C ATOM 1230 C VAL A 82 28.813 -5.603 14.283 1.00 38.51 C ATOM 1231 O VAL A 82 28.459 -4.777 15.120 1.00 37.36 O ATOM 1232 CB VAL A 82 27.000 -6.946 13.069 1.00 39.03 C ATOM 1233 CG1 VAL A 82 26.097 -5.738 13.184 1.00 39.09 C ATOM 1234 CG2 VAL A 82 27.607 -7.031 11.698 1.00 42.16 C ATOM 1235 HA VAL A 82 28.842 -7.690 13.874 1.00 0.00 H ATOM 1236 HB VAL A 82 26.383 -7.831 13.225 1.00 0.00 H ATOM 1237 HG11 VAL A 82 25.608 -5.743 14.158 1.00 0.00 H ATOM 1238 HG12 VAL A 82 26.691 -4.830 13.079 1.00 0.00 H ATOM 1239 HG13 VAL A 82 25.343 -5.773 12.398 1.00 0.00 H ATOM 1240 HG21 VAL A 82 28.264 -6.176 11.539 1.00 0.00 H ATOM 1241 HG22 VAL A 82 28.181 -7.953 11.613 1.00 0.00 H ATOM 1242 HG23 VAL A 82 26.814 -7.025 10.950 1.00 0.00 H ATOM 1243 H VAL A 82 27.164 -6.528 16.056 1.00 0.00 H ATOM 1244 N ASN A 83 29.875 -5.429 13.506 1.00 38.55 N ATOM 1245 CA ASN A 83 30.578 -4.159 13.382 1.00 38.11 C ATOM 1246 C ASN A 83 29.619 -3.116 12.845 1.00 37.62 C ATOM 1247 O ASN A 83 29.023 -3.300 11.787 1.00 36.17 O ATOM 1248 CB ASN A 83 31.758 -4.278 12.407 1.00 37.50 C ATOM 1249 CG ASN A 83 32.889 -5.126 12.943 1.00 38.55 C ATOM 1250 OD1 ASN A 83 33.158 -5.126 14.149 1.00 40.11 O ATOM 1251 ND2 ASN A 83 33.559 -5.864 12.053 1.00 37.40 N ATOM 1252 HA ASN A 83 30.955 -3.876 14.365 1.00 0.00 H ATOM 1253 HB2 ASN A 83 31.398 -4.725 11.480 1.00 0.00 H ATOM 1254 HB3 ASN A 83 32.141 -3.278 12.202 1.00 0.00 H ATOM 1255 HD22 ASN A 83 33.296 -5.831 11.047 1.00 0.00 H ATOM 1256 HD21 ASN A 83 34.343 -6.471 12.366 1.00 0.00 H ATOM 1257 H ASN A 83 30.223 -6.241 12.957 1.00 0.00 H ATOM 1258 N ILE A 84 29.470 -2.038 13.610 1.00 37.92 N ATOM 1259 CA ILE A 84 28.500 -0.999 13.346 1.00 37.90 C ATOM 1260 C ILE A 84 29.185 0.367 13.246 1.00 37.51 C ATOM 1261 O ILE A 84 29.879 0.782 14.168 1.00 37.57 O ATOM 1262 CB ILE A 84 27.455 -0.964 14.485 1.00 38.76 C ATOM 1263 CG1 ILE A 84 26.484 -2.132 14.303 1.00 38.91 C ATOM 1264 CG2 ILE A 84 26.713 0.363 14.503 1.00 38.21 C ATOM 1265 CD1 ILE A 84 25.657 -2.412 15.505 1.00 38.14 C ATOM 1266 HA ILE A 84 28.009 -1.217 12.398 1.00 0.00 H ATOM 1267 HB ILE A 84 27.963 -1.062 15.444 1.00 0.00 H ATOM 1268 HG12 ILE A 84 25.817 -1.900 13.472 1.00 0.00 H ATOM 1269 HG13 ILE A 84 27.061 -3.026 14.066 1.00 0.00 H ATOM 1270 HD11 ILE A 84 26.309 -2.658 16.344 1.00 0.00 H ATOM 1271 HD12 ILE A 84 25.064 -1.531 15.750 1.00 0.00 H ATOM 1272 HD13 ILE A 84 24.994 -3.252 15.300 1.00 0.00 H ATOM 1273 HG21 ILE A 84 27.425 1.174 14.656 1.00 0.00 H ATOM 1274 HG22 ILE A 84 26.199 0.503 13.552 1.00 0.00 H ATOM 1275 HG23 ILE A 84 25.985 0.360 15.314 1.00 0.00 H ATOM 1276 H ILE A 84 30.084 -1.937 14.443 1.00 0.00 H ATOM 1277 N ILE A 85 28.948 1.053 12.132 1.00 36.81 N ATOM 1278 CA ILE A 85 29.350 2.425 11.942 1.00 36.10 C ATOM 1279 C ILE A 85 28.128 3.282 12.234 1.00 36.30 C ATOM 1280 O ILE A 85 27.075 3.154 11.587 1.00 36.49 O ATOM 1281 CB ILE A 85 29.820 2.698 10.515 1.00 35.80 C ATOM 1282 CG1 ILE A 85 30.942 1.741 10.081 1.00 37.02 C ATOM 1283 CG2 ILE A 85 30.166 4.172 10.347 1.00 35.91 C ATOM 1284 CD1 ILE A 85 32.165 1.684 10.958 1.00 36.06 C ATOM 1285 HA ILE A 85 30.187 2.651 12.602 1.00 0.00 H ATOM 1286 HB ILE A 85 28.999 2.488 9.830 1.00 0.00 H ATOM 1287 HG12 ILE A 85 30.520 0.737 10.037 1.00 0.00 H ATOM 1288 HG13 ILE A 85 31.265 2.042 9.084 1.00 0.00 H ATOM 1289 HD11 ILE A 85 32.622 2.672 11.006 1.00 0.00 H ATOM 1290 HD12 ILE A 85 31.877 1.366 11.960 1.00 0.00 H ATOM 1291 HD13 ILE A 85 32.877 0.973 10.540 1.00 0.00 H ATOM 1292 HG21 ILE A 85 29.283 4.777 10.554 1.00 0.00 H ATOM 1293 HG22 ILE A 85 30.962 4.439 11.042 1.00 0.00 H ATOM 1294 HG23 ILE A 85 30.499 4.351 9.325 1.00 0.00 H ATOM 1295 H ILE A 85 28.446 0.575 11.357 1.00 0.00 H ATOM 1296 N GLY A 86 28.289 4.158 13.224 1.00 35.89 N ATOM 1297 CA GLY A 86 27.197 4.980 13.715 1.00 35.82 C ATOM 1298 C GLY A 86 27.270 6.399 13.204 1.00 35.50 C ATOM 1299 O GLY A 86 28.205 6.790 12.491 1.00 35.17 O ATOM 1300 HA3 GLY A 86 27.234 4.998 14.804 1.00 0.00 H ATOM 1301 HA2 GLY A 86 26.254 4.539 13.392 1.00 0.00 H ATOM 1302 H GLY A 86 29.228 4.257 13.660 1.00 0.00 H ATOM 1303 N ARG A 87 26.278 7.182 13.607 1.00 35.97 N ATOM 1304 CA ARG A 87 26.164 8.561 13.139 1.00 35.99 C ATOM 1305 C ARG A 87 27.412 9.392 13.410 1.00 36.71 C ATOM 1306 O ARG A 87 27.780 10.240 12.595 1.00 38.01 O ATOM 1307 CB ARG A 87 24.921 9.233 13.725 1.00 36.09 C ATOM 1308 CG ARG A 87 23.646 8.675 13.132 1.00 35.53 C ATOM 1309 CD ARG A 87 22.400 9.439 13.548 1.00 35.97 C ATOM 1310 NE ARG A 87 22.240 9.438 15.000 1.00 36.74 N ATOM 1311 CZ ARG A 87 22.642 10.414 15.810 1.00 34.76 C ATOM 1312 NH1 ARG A 87 23.236 11.507 15.344 1.00 34.27 N ATOM 1313 NH2 ARG A 87 22.454 10.278 17.112 1.00 34.76 N ATOM 1314 HA ARG A 87 26.060 8.511 12.055 1.00 0.00 H ATOM 1315 HB2 ARG A 87 24.908 9.073 14.803 1.00 0.00 H ATOM 1316 HB3 ARG A 87 24.968 10.302 13.519 1.00 0.00 H ATOM 1317 HG2 ARG A 87 23.726 8.710 12.046 1.00 0.00 H ATOM 1318 HG3 ARG A 87 23.540 7.639 13.454 1.00 0.00 H ATOM 1319 HD2 ARG A 87 21.527 8.971 13.093 1.00 0.00 H ATOM 1320 HD3 ARG A 87 22.481 10.469 13.200 1.00 0.00 H ATOM 1321 HE ARG A 87 21.778 8.613 15.433 1.00 0.00 H ATOM 1322 HH12 ARG A 87 23.540 12.254 16.001 1.00 0.00 H ATOM 1323 HH11 ARG A 87 23.397 11.616 14.322 1.00 0.00 H ATOM 1324 HH22 ARG A 87 22.761 11.029 17.763 1.00 0.00 H ATOM 1325 HH21 ARG A 87 21.999 9.420 17.485 1.00 0.00 H ATOM 1326 H ARG A 87 25.568 6.807 14.268 1.00 0.00 H ATOM 1327 N ASN A 88 28.098 9.160 14.525 1.00 36.86 N ATOM 1328 CA ASN A 88 29.269 9.989 14.817 1.00 36.65 C ATOM 1329 C ASN A 88 30.282 9.953 13.659 1.00 37.03 C ATOM 1330 O ASN A 88 30.973 10.935 13.405 1.00 37.33 O ATOM 1331 CB ASN A 88 29.917 9.585 16.150 1.00 36.71 C ATOM 1332 CG ASN A 88 30.631 8.245 16.086 1.00 36.87 C ATOM 1333 OD1 ASN A 88 30.016 7.237 15.739 1.00 35.67 O ATOM 1334 ND2 ASN A 88 31.922 8.223 16.443 1.00 33.95 N ATOM 1335 HA ASN A 88 28.930 11.020 14.919 1.00 0.00 H ATOM 1336 HB2 ASN A 88 30.641 10.351 16.430 1.00 0.00 H ATOM 1337 HB3 ASN A 88 29.138 9.527 16.911 1.00 0.00 H ATOM 1338 HD22 ASN A 88 32.398 9.103 16.729 1.00 0.00 H ATOM 1339 HD21 ASN A 88 32.449 7.326 16.434 1.00 0.00 H ATOM 1340 H ASN A 88 27.808 8.404 15.178 1.00 0.00 H ATOM 1341 N LEU A 89 30.378 8.827 12.955 1.00 36.67 N ATOM 1342 CA LEU A 89 31.304 8.705 11.831 1.00 36.97 C ATOM 1343 C LEU A 89 30.613 8.885 10.485 1.00 36.49 C ATOM 1344 O LEU A 89 31.237 9.323 9.509 1.00 36.13 O ATOM 1345 CB LEU A 89 32.063 7.373 11.871 1.00 36.64 C ATOM 1346 CG LEU A 89 32.974 7.131 13.081 1.00 38.10 C ATOM 1347 CD1 LEU A 89 33.812 5.890 12.894 1.00 39.23 C ATOM 1348 CD2 LEU A 89 33.874 8.305 13.398 1.00 39.18 C ATOM 1349 HA LEU A 89 32.024 9.516 11.938 1.00 0.00 H ATOM 1350 HB2 LEU A 89 31.324 6.572 11.849 1.00 0.00 H ATOM 1351 HB3 LEU A 89 32.682 7.319 10.976 1.00 0.00 H ATOM 1352 HG LEU A 89 32.303 6.997 13.929 1.00 0.00 H ATOM 1353 HD21 LEU A 89 34.515 8.512 12.541 1.00 0.00 H ATOM 1354 HD22 LEU A 89 33.263 9.181 13.617 1.00 0.00 H ATOM 1355 HD23 LEU A 89 34.491 8.065 14.264 1.00 0.00 H ATOM 1356 HD11 LEU A 89 33.158 5.026 12.772 1.00 0.00 H ATOM 1357 HD12 LEU A 89 34.435 6.004 12.007 1.00 0.00 H ATOM 1358 HD13 LEU A 89 34.446 5.746 13.769 1.00 0.00 H ATOM 1359 H LEU A 89 29.780 8.015 13.211 1.00 0.00 H ATOM 1360 N LEU A 90 29.336 8.526 10.416 1.00 36.51 N ATOM 1361 CA LEU A 90 28.598 8.676 9.169 1.00 37.04 C ATOM 1362 C LEU A 90 28.556 10.150 8.767 1.00 36.90 C ATOM 1363 O LEU A 90 28.674 10.464 7.594 1.00 36.57 O ATOM 1364 CB LEU A 90 27.190 8.084 9.277 1.00 37.32 C ATOM 1365 CG LEU A 90 27.078 6.557 9.440 1.00 37.63 C ATOM 1366 CD1 LEU A 90 25.627 6.161 9.698 1.00 35.85 C ATOM 1367 CD2 LEU A 90 27.598 5.827 8.247 1.00 37.15 C ATOM 1368 HA LEU A 90 29.116 8.118 8.389 1.00 0.00 H ATOM 1369 HB2 LEU A 90 26.707 8.542 10.140 1.00 0.00 H ATOM 1370 HB3 LEU A 90 26.649 8.358 8.371 1.00 0.00 H ATOM 1371 HG LEU A 90 27.693 6.275 10.295 1.00 0.00 H ATOM 1372 HD21 LEU A 90 27.026 6.118 7.366 1.00 0.00 H ATOM 1373 HD22 LEU A 90 28.648 6.078 8.099 1.00 0.00 H ATOM 1374 HD23 LEU A 90 27.498 4.754 8.408 1.00 0.00 H ATOM 1375 HD11 LEU A 90 25.276 6.645 10.610 1.00 0.00 H ATOM 1376 HD12 LEU A 90 25.010 6.477 8.857 1.00 0.00 H ATOM 1377 HD13 LEU A 90 25.562 5.079 9.811 1.00 0.00 H ATOM 1378 H LEU A 90 28.861 8.136 11.255 1.00 0.00 H ATOM 1379 N THR A 91 28.427 11.043 9.750 1.00 37.23 N ATOM 1380 CA THR A 91 28.433 12.469 9.496 1.00 37.55 C ATOM 1381 C THR A 91 29.792 12.904 8.956 1.00 37.37 C ATOM 1382 O THR A 91 29.842 13.765 8.084 1.00 36.68 O ATOM 1383 CB THR A 91 28.141 13.309 10.752 1.00 37.14 C ATOM 1384 OG1 THR A 91 29.012 12.897 11.810 1.00 40.72 O ATOM 1385 CG2 THR A 91 26.708 13.176 11.188 1.00 38.23 C ATOM 1386 HA THR A 91 27.639 12.644 8.770 1.00 0.00 H ATOM 1387 HB THR A 91 28.317 14.357 10.510 1.00 0.00 H ATOM 1388 HG1 THR A 91 28.858 11.939 12.008 1.00 0.00 H ATOM 1389 HG23 THR A 91 26.052 13.492 10.377 1.00 0.00 H ATOM 1390 HG21 THR A 91 26.501 12.136 11.440 1.00 0.00 H ATOM 1391 HG22 THR A 91 26.536 13.804 12.062 1.00 0.00 H ATOM 1392 H THR A 91 28.319 10.705 10.728 1.00 0.00 H ATOM 1393 N GLN A 92 30.870 12.296 9.445 1.00 37.43 N ATOM 1394 CA GLN A 92 32.216 12.737 9.083 1.00 38.08 C ATOM 1395 C GLN A 92 32.503 12.451 7.620 1.00 38.54 C ATOM 1396 O GLN A 92 33.251 13.196 6.990 1.00 39.03 O ATOM 1397 CB GLN A 92 33.289 12.048 9.933 1.00 38.16 C ATOM 1398 CG GLN A 92 33.298 12.399 11.419 1.00 37.69 C ATOM 1399 CD GLN A 92 34.658 12.189 12.069 1.00 38.36 C ATOM 1400 OE1 GLN A 92 35.650 11.904 11.389 1.00 36.99 O ATOM 1401 NE2 GLN A 92 34.718 12.367 13.388 1.00 37.30 N ATOM 1402 HA GLN A 92 32.252 13.811 9.267 1.00 0.00 H ATOM 1403 HB2 GLN A 92 33.142 10.971 9.846 1.00 0.00 H ATOM 1404 HB3 GLN A 92 34.262 12.315 9.522 1.00 0.00 H ATOM 1405 HG2 GLN A 92 33.017 13.446 11.531 1.00 0.00 H ATOM 1406 HG3 GLN A 92 32.568 11.771 11.929 1.00 0.00 H ATOM 1407 HE22 GLN A 92 33.857 12.606 13.920 1.00 0.00 H ATOM 1408 HE21 GLN A 92 35.626 12.267 13.885 1.00 0.00 H ATOM 1409 H GLN A 92 30.753 11.493 10.096 1.00 0.00 H ATOM 1410 N ILE A 93 31.940 11.364 7.094 1.00 39.41 N ATOM 1411 CA ILE A 93 32.135 10.994 5.688 1.00 39.43 C ATOM 1412 C ILE A 93 31.051 11.566 4.775 1.00 39.53 C ATOM 1413 O ILE A 93 31.030 11.255 3.591 1.00 38.94 O ATOM 1414 CB ILE A 93 32.224 9.467 5.470 1.00 39.28 C ATOM 1415 CG1 ILE A 93 30.891 8.773 5.793 1.00 40.13 C ATOM 1416 CG2 ILE A 93 33.369 8.902 6.294 1.00 39.68 C ATOM 1417 CD1 ILE A 93 30.845 7.290 5.429 1.00 39.80 C ATOM 1418 HA ILE A 93 33.094 11.436 5.419 1.00 0.00 H ATOM 1419 HB ILE A 93 32.426 9.272 4.417 1.00 0.00 H ATOM 1420 HG12 ILE A 93 30.708 8.867 6.863 1.00 0.00 H ATOM 1421 HG13 ILE A 93 30.099 9.283 5.244 1.00 0.00 H ATOM 1422 HD11 ILE A 93 31.012 7.175 4.358 1.00 0.00 H ATOM 1423 HD12 ILE A 93 31.622 6.758 5.979 1.00 0.00 H ATOM 1424 HD13 ILE A 93 29.869 6.883 5.692 1.00 0.00 H ATOM 1425 HG21 ILE A 93 34.304 9.369 5.983 1.00 0.00 H ATOM 1426 HG22 ILE A 93 33.192 9.109 7.349 1.00 0.00 H ATOM 1427 HG23 ILE A 93 33.430 7.825 6.139 1.00 0.00 H ATOM 1428 H ILE A 93 31.345 10.761 7.697 1.00 0.00 H ATOM 1429 N GLY A 94 30.145 12.375 5.316 1.00 39.68 N ATOM 1430 CA GLY A 94 29.195 13.114 4.500 1.00 40.26 C ATOM 1431 C GLY A 94 27.986 12.296 4.097 1.00 41.03 C ATOM 1432 O GLY A 94 27.377 12.541 3.059 1.00 40.61 O ATOM 1433 HA3 GLY A 94 29.703 13.449 3.596 1.00 0.00 H ATOM 1434 HA2 GLY A 94 28.853 13.981 5.066 1.00 0.00 H ATOM 1435 H GLY A 94 30.115 12.482 6.350 1.00 0.00 H ATOM 1436 N CYS A 95 27.631 11.325 4.928 1.00 42.09 N ATOM 1437 CA CYS A 95 26.567 10.387 4.594 1.00 42.04 C ATOM 1438 C CYS A 95 25.213 10.997 4.963 1.00 42.07 C ATOM 1439 O CYS A 95 25.070 11.606 6.030 1.00 42.84 O ATOM 1440 CB CYS A 95 26.829 9.053 5.313 1.00 42.76 C ATOM 1441 SG CYS A 95 25.673 7.720 4.942 1.00 46.30 S ATOM 1442 HA CYS A 95 26.549 10.187 3.523 1.00 0.00 H ATOM 1443 HB2 CYS A 95 26.792 9.239 6.386 1.00 0.00 H ATOM 1444 HB3 CYS A 95 27.828 8.715 5.038 1.00 0.00 H ATOM 1445 HG CYS A 95 26.030 6.593 5.654 1.00 0.00 H ATOM 1446 H CYS A 95 28.123 11.231 5.839 1.00 0.00 H ATOM 1447 N THR A 96 24.247 10.882 4.054 1.00 42.18 N ATOM 1448 CA THR A 96 22.863 11.281 4.292 1.00 41.90 C ATOM 1449 C THR A 96 21.890 10.178 3.871 1.00 42.21 C ATOM 1450 O THR A 96 22.215 9.293 3.080 1.00 41.21 O ATOM 1451 CB THR A 96 22.483 12.570 3.507 1.00 42.47 C ATOM 1452 OG1 THR A 96 22.751 12.400 2.111 1.00 40.66 O ATOM 1453 CG2 THR A 96 23.251 13.791 4.014 1.00 42.65 C ATOM 1454 HA THR A 96 22.786 11.470 5.363 1.00 0.00 H ATOM 1455 HB THR A 96 21.418 12.739 3.666 1.00 0.00 H ATOM 1456 HG1 THR A 96 23.715 12.215 1.981 1.00 0.00 H ATOM 1457 HG23 THR A 96 23.052 13.928 5.077 1.00 0.00 H ATOM 1458 HG21 THR A 96 24.319 13.637 3.859 1.00 0.00 H ATOM 1459 HG22 THR A 96 22.927 14.676 3.466 1.00 0.00 H ATOM 1460 H THR A 96 24.492 10.486 3.124 1.00 0.00 H ATOM 1461 N LEU A 97 20.676 10.254 4.403 1.00 42.00 N ATOM 1462 CA LEU A 97 19.555 9.498 3.872 1.00 42.34 C ATOM 1463 C LEU A 97 18.780 10.337 2.857 1.00 42.34 C ATOM 1464 O LEU A 97 18.573 11.545 3.045 1.00 42.14 O ATOM 1465 CB LEU A 97 18.630 9.060 5.011 1.00 43.22 C ATOM 1466 CG LEU A 97 19.145 7.967 5.956 1.00 43.81 C ATOM 1467 CD1 LEU A 97 18.327 7.964 7.234 1.00 43.23 C ATOM 1468 CD2 LEU A 97 19.070 6.607 5.286 1.00 45.45 C ATOM 1469 HA LEU A 97 19.939 8.611 3.368 1.00 0.00 H ATOM 1470 HB2 LEU A 97 18.415 9.941 5.616 1.00 0.00 H ATOM 1471 HB3 LEU A 97 17.706 8.696 4.561 1.00 0.00 H ATOM 1472 HG LEU A 97 20.187 8.176 6.199 1.00 0.00 H ATOM 1473 HD21 LEU A 97 18.035 6.390 5.023 1.00 0.00 H ATOM 1474 HD22 LEU A 97 19.682 6.614 4.384 1.00 0.00 H ATOM 1475 HD23 LEU A 97 19.440 5.845 5.972 1.00 0.00 H ATOM 1476 HD11 LEU A 97 18.415 8.934 7.723 1.00 0.00 H ATOM 1477 HD12 LEU A 97 17.281 7.770 6.994 1.00 0.00 H ATOM 1478 HD13 LEU A 97 18.699 7.185 7.900 1.00 0.00 H ATOM 1479 H LEU A 97 20.523 10.873 5.224 1.00 0.00 H ATOM 1480 N ASN A 98 18.317 9.677 1.798 1.00 42.12 N ATOM 1481 CA ASN A 98 17.619 10.337 0.696 1.00 42.19 C ATOM 1482 C ASN A 98 16.438 9.520 0.179 1.00 42.19 C ATOM 1483 O ASN A 98 16.567 8.321 -0.041 1.00 43.46 O ATOM 1484 CB ASN A 98 18.598 10.603 -0.447 1.00 42.43 C ATOM 1485 CG ASN A 98 19.695 11.572 -0.056 1.00 43.43 C ATOM 1486 OD1 ASN A 98 19.528 12.784 -0.183 1.00 44.85 O ATOM 1487 ND2 ASN A 98 20.826 11.042 0.403 1.00 42.40 N ATOM 1488 HA ASN A 98 17.221 11.276 1.081 1.00 0.00 H ATOM 1489 HB2 ASN A 98 19.054 9.659 -0.744 1.00 0.00 H ATOM 1490 HB3 ASN A 98 18.047 11.020 -1.290 1.00 0.00 H ATOM 1491 HD22 ASN A 98 20.918 10.010 0.492 1.00 0.00 H ATOM 1492 HD21 ASN A 98 21.618 11.660 0.673 1.00 0.00 H ATOM 1493 H ASN A 98 18.458 8.648 1.753 1.00 0.00 H ATOM 1494 N PHE A 99 15.281 10.154 0.026 1.00 42.35 N ATOM 1495 CA PHE A 99 14.123 9.512 -0.585 1.00 42.29 C ATOM 1496 C PHE A 99 13.217 10.581 -1.154 1.00 42.27 C ATOM 1497 O PHE A 99 13.593 11.755 -1.171 1.00 41.63 O ATOM 1498 CB PHE A 99 13.370 8.596 0.398 1.00 43.44 C ATOM 1499 CG PHE A 99 12.765 9.310 1.578 1.00 43.43 C ATOM 1500 CD1 PHE A 99 13.494 9.482 2.736 1.00 43.65 C ATOM 1501 CD2 PHE A 99 11.460 9.792 1.528 1.00 45.27 C ATOM 1502 CE1 PHE A 99 12.950 10.129 3.825 1.00 45.32 C ATOM 1503 CE2 PHE A 99 10.902 10.454 2.611 1.00 44.72 C ATOM 1504 CZ PHE A 99 11.654 10.628 3.761 1.00 45.89 C ATOM 1505 HA PHE A 99 14.469 8.861 -1.388 1.00 0.00 H ATOM 1506 OXT PHE A 99 12.124 10.266 -1.627 1.00 42.34 O ATOM 1507 HB2 PHE A 99 12.568 8.098 -0.147 1.00 0.00 H ATOM 1508 HB3 PHE A 99 14.070 7.850 0.774 1.00 0.00 H ATOM 1509 HD2 PHE A 99 10.868 9.647 0.624 1.00 0.00 H ATOM 1510 HE2 PHE A 99 9.882 10.834 2.558 1.00 0.00 H ATOM 1511 HZ PHE A 99 11.230 11.156 4.615 1.00 0.00 H ATOM 1512 HE1 PHE A 99 13.536 10.249 4.736 1.00 0.00 H ATOM 1513 HD1 PHE A 99 14.514 9.101 2.791 1.00 0.00 H ATOM 1514 H PHE A 99 15.198 11.138 0.352 1.00 0.00 H TER 1515 PHE A 99 ATOM 1516 N PRO B 1 12.987 13.805 0.386 1.00 46.47 N ATOM 1517 CA PRO B 1 13.833 14.730 1.135 1.00 46.02 C ATOM 1518 C PRO B 1 15.236 14.176 1.330 1.00 45.26 C ATOM 1519 O PRO B 1 15.489 13.018 1.014 1.00 44.71 O ATOM 1520 CB PRO B 1 13.123 14.865 2.491 1.00 46.66 C ATOM 1521 CG PRO B 1 11.858 14.038 2.416 1.00 47.10 C ATOM 1522 CD PRO B 1 11.649 13.646 0.986 1.00 46.87 C ATOM 1523 HA PRO B 1 13.957 15.680 0.615 1.00 0.00 H ATOM 1524 HD3 PRO B 1 11.308 12.613 0.911 1.00 0.00 H ATOM 1525 HD2 PRO B 1 10.925 14.303 0.504 1.00 0.00 H ATOM 1526 HG3 PRO B 1 11.010 14.625 2.767 1.00 0.00 H ATOM 1527 HG2 PRO B 1 11.961 13.146 3.034 1.00 0.00 H ATOM 1528 HB2 PRO B 1 13.766 14.493 3.289 1.00 0.00 H ATOM 1529 HB3 PRO B 1 12.876 15.909 2.682 1.00 0.00 H ATOM 1530 N GLN B 2 16.143 15.026 1.802 1.00 44.97 N ATOM 1531 CA GLN B 2 17.470 14.596 2.212 1.00 44.96 C ATOM 1532 C GLN B 2 17.549 14.802 3.714 1.00 45.04 C ATOM 1533 O GLN B 2 17.243 15.892 4.203 1.00 44.93 O ATOM 1534 CB GLN B 2 18.585 15.409 1.555 1.00 45.07 C ATOM 1535 CG GLN B 2 19.957 15.074 2.132 1.00 44.97 C ATOM 1536 CD GLN B 2 21.097 15.642 1.319 1.00 45.61 C ATOM 1537 OE1 GLN B 2 21.683 16.659 1.702 1.00 50.32 O ATOM 1538 NE2 GLN B 2 21.413 15.002 0.194 1.00 42.85 N ATOM 1539 HA GLN B 2 17.611 13.557 1.913 1.00 0.00 H ATOM 1540 HB2 GLN B 2 18.592 15.197 0.486 1.00 0.00 H ATOM 1541 HB3 GLN B 2 18.387 16.469 1.712 1.00 0.00 H ATOM 1542 HG2 GLN B 2 20.017 15.478 3.143 1.00 0.00 H ATOM 1543 HG3 GLN B 2 20.063 13.990 2.168 1.00 0.00 H ATOM 1544 HE22 GLN B 2 20.888 14.149 -0.084 1.00 0.00 H ATOM 1545 HE21 GLN B 2 22.185 15.356 -0.406 1.00 0.00 H ATOM 1546 H GLN B 2 15.895 16.033 1.881 1.00 0.00 H ATOM 1547 N ILE B 3 17.976 13.764 4.424 1.00 44.88 N ATOM 1548 CA ILE B 3 18.071 13.818 5.875 1.00 44.82 C ATOM 1549 C ILE B 3 19.500 13.588 6.311 1.00 44.22 C ATOM 1550 O ILE B 3 20.122 12.565 6.033 1.00 44.02 O ATOM 1551 CB ILE B 3 17.144 12.805 6.551 1.00 44.51 C ATOM 1552 CG1 ILE B 3 15.702 13.126 6.186 1.00 44.89 C ATOM 1553 CG2 ILE B 3 17.276 12.868 8.072 1.00 44.60 C ATOM 1554 CD1 ILE B 3 14.797 11.949 6.386 1.00 46.46 C ATOM 1555 HA ILE B 3 17.751 14.812 6.187 1.00 0.00 H ATOM 1556 HB ILE B 3 17.423 11.808 6.209 1.00 0.00 H ATOM 1557 HG12 ILE B 3 15.355 13.948 6.812 1.00 0.00 H ATOM 1558 HG13 ILE B 3 15.662 13.427 5.139 1.00 0.00 H ATOM 1559 HD11 ILE B 3 15.132 11.124 5.758 1.00 0.00 H ATOM 1560 HD12 ILE B 3 14.824 11.645 7.432 1.00 0.00 H ATOM 1561 HD13 ILE B 3 13.778 12.225 6.113 1.00 0.00 H ATOM 1562 HG21 ILE B 3 18.304 12.644 8.356 1.00 0.00 H ATOM 1563 HG22 ILE B 3 17.012 13.868 8.417 1.00 0.00 H ATOM 1564 HG23 ILE B 3 16.606 12.137 8.524 1.00 0.00 H ATOM 1565 H ILE B 3 18.249 12.890 3.930 1.00 0.00 H ATOM 1566 N THR B 4 19.968 14.571 7.060 1.00 43.67 N ATOM 1567 CA THR B 4 21.332 14.688 7.522 1.00 43.14 C ATOM 1568 C THR B 4 21.393 13.844 8.823 1.00 42.61 C ATOM 1569 O THR B 4 20.354 13.457 9.358 1.00 42.82 O ATOM 1570 CB THR B 4 21.560 16.224 7.573 1.00 44.13 C ATOM 1571 OG1 THR B 4 22.720 16.644 6.827 1.00 47.67 O ATOM 1572 CG2 THR B 4 21.469 16.760 8.950 1.00 41.47 C ATOM 1573 HA THR B 4 22.154 14.294 6.924 1.00 0.00 H ATOM 1574 HB THR B 4 20.729 16.691 7.044 1.00 0.00 H ATOM 1575 HG1 THR B 4 22.816 17.627 6.894 1.00 0.00 H ATOM 1576 HG23 THR B 4 20.562 16.385 9.425 1.00 0.00 H ATOM 1577 HG21 THR B 4 22.340 16.439 9.522 1.00 0.00 H ATOM 1578 HG22 THR B 4 21.438 17.849 8.913 1.00 0.00 H ATOM 1579 H THR B 4 19.302 15.319 7.339 1.00 0.00 H ATOM 1580 N LEU B 5 22.584 13.476 9.290 1.00 41.73 N ATOM 1581 CA LEU B 5 22.736 12.526 10.397 1.00 41.59 C ATOM 1582 C LEU B 5 23.409 13.123 11.635 1.00 40.95 C ATOM 1583 O LEU B 5 23.844 12.402 12.531 1.00 39.77 O ATOM 1584 CB LEU B 5 23.484 11.270 9.937 1.00 41.00 C ATOM 1585 CG LEU B 5 22.737 10.482 8.855 1.00 41.63 C ATOM 1586 CD1 LEU B 5 23.635 9.470 8.162 1.00 40.93 C ATOM 1587 CD2 LEU B 5 21.492 9.832 9.433 1.00 41.99 C ATOM 1588 HA LEU B 5 21.724 12.258 10.699 1.00 0.00 H ATOM 1589 HB2 LEU B 5 24.454 11.570 9.540 1.00 0.00 H ATOM 1590 HB3 LEU B 5 23.632 10.620 10.799 1.00 0.00 H ATOM 1591 HG LEU B 5 22.422 11.188 8.087 1.00 0.00 H ATOM 1592 HD21 LEU B 5 21.778 9.150 10.234 1.00 0.00 H ATOM 1593 HD22 LEU B 5 20.832 10.603 9.829 1.00 0.00 H ATOM 1594 HD23 LEU B 5 20.976 9.278 8.649 1.00 0.00 H ATOM 1595 HD11 LEU B 5 24.469 9.989 7.690 1.00 0.00 H ATOM 1596 HD12 LEU B 5 24.016 8.761 8.897 1.00 0.00 H ATOM 1597 HD13 LEU B 5 23.062 8.936 7.404 1.00 0.00 H ATOM 1598 H LEU B 5 23.439 13.877 8.854 1.00 0.00 H ATOM 1599 N TRP B 6 23.394 14.449 11.737 1.00 41.14 N ATOM 1600 CA TRP B 6 23.858 15.124 12.951 1.00 40.66 C ATOM 1601 C TRP B 6 23.064 14.714 14.193 1.00 40.65 C ATOM 1602 O TRP B 6 23.593 14.601 15.297 1.00 38.78 O ATOM 1603 CB TRP B 6 23.749 16.630 12.774 1.00 41.13 C ATOM 1604 CG TRP B 6 24.590 17.195 11.669 1.00 41.07 C ATOM 1605 CD1 TRP B 6 24.150 17.723 10.486 1.00 40.84 C ATOM 1606 CD2 TRP B 6 26.011 17.314 11.653 1.00 38.12 C ATOM 1607 NE1 TRP B 6 25.211 18.168 9.739 1.00 39.95 N ATOM 1608 CE2 TRP B 6 26.366 17.929 10.433 1.00 39.17 C ATOM 1609 CE3 TRP B 6 27.019 16.985 12.562 1.00 41.24 C ATOM 1610 CZ2 TRP B 6 27.689 18.218 10.095 1.00 40.62 C ATOM 1611 CZ3 TRP B 6 28.349 17.283 12.226 1.00 40.75 C ATOM 1612 CH2 TRP B 6 28.661 17.904 11.009 1.00 40.85 C ATOM 1613 HA TRP B 6 24.895 14.825 13.104 1.00 0.00 H ATOM 1614 HB2 TRP B 6 22.707 16.873 12.566 1.00 0.00 H ATOM 1615 HB3 TRP B 6 24.052 17.104 13.708 1.00 0.00 H ATOM 1616 HE1 TRP B 6 25.148 18.613 8.801 1.00 0.00 H ATOM 1617 HD1 TRP B 6 23.105 17.782 10.181 1.00 0.00 H ATOM 1618 HZ2 TRP B 6 27.940 18.677 9.139 1.00 0.00 H ATOM 1619 HH2 TRP B 6 29.700 18.143 10.784 1.00 0.00 H ATOM 1620 HZ3 TRP B 6 29.149 17.028 12.921 1.00 0.00 H ATOM 1621 HE3 TRP B 6 26.778 16.507 13.512 1.00 0.00 H ATOM 1622 H TRP B 6 23.046 15.018 10.939 1.00 0.00 H ATOM 1623 N LYS B 7 21.765 14.523 13.991 1.00 40.46 N ATOM 1624 CA LYS B 7 20.865 14.053 15.019 1.00 40.56 C ATOM 1625 C LYS B 7 20.181 12.766 14.534 1.00 40.71 C ATOM 1626 O LYS B 7 20.268 12.401 13.368 1.00 40.18 O ATOM 1627 CB LYS B 7 19.828 15.156 15.307 1.00 40.77 C ATOM 1628 HA LYS B 7 21.407 13.831 15.938 1.00 0.00 H ATOM 1629 HB2 LYS B 7 20.341 16.056 15.646 1.00 0.00 H ATOM 1630 HB3 LYS B 7 19.270 15.375 14.397 1.00 0.00 H ATOM 1631 H LYS B 7 21.377 14.721 13.047 1.00 0.00 H ATOM 1632 N ARG B 8 19.486 12.079 15.429 1.00 40.92 N ATOM 1633 CA ARG B 8 18.728 10.893 15.054 1.00 40.56 C ATOM 1634 C ARG B 8 17.750 11.238 13.940 1.00 40.56 C ATOM 1635 O ARG B 8 17.029 12.221 14.055 1.00 39.28 O ATOM 1636 CB ARG B 8 17.948 10.351 16.249 1.00 40.25 C ATOM 1637 CG ARG B 8 18.850 9.817 17.337 1.00 40.73 C ATOM 1638 CD ARG B 8 18.076 9.170 18.458 1.00 41.16 C ATOM 1639 NE ARG B 8 18.988 8.622 19.451 1.00 40.88 N ATOM 1640 CZ ARG B 8 18.603 7.932 20.516 1.00 43.11 C ATOM 1641 NH1 ARG B 8 17.315 7.715 20.740 1.00 45.12 N ATOM 1642 NH2 ARG B 8 19.505 7.489 21.380 1.00 42.60 N ATOM 1643 HA ARG B 8 19.430 10.133 14.712 1.00 0.00 H ATOM 1644 HB2 ARG B 8 17.339 11.155 16.663 1.00 0.00 H ATOM 1645 HB3 ARG B 8 17.299 9.545 15.906 1.00 0.00 H ATOM 1646 HG2 ARG B 8 19.523 9.077 16.903 1.00 0.00 H ATOM 1647 HG3 ARG B 8 19.434 10.642 17.745 1.00 0.00 H ATOM 1648 HD2 ARG B 8 17.460 8.367 18.053 1.00 0.00 H ATOM 1649 HD3 ARG B 8 17.436 9.915 18.930 1.00 0.00 H ATOM 1650 HE ARG B 8 20.007 8.782 19.317 1.00 0.00 H ATOM 1651 HH12 ARG B 8 17.017 7.173 21.576 1.00 0.00 H ATOM 1652 HH11 ARG B 8 16.603 8.086 20.080 1.00 0.00 H ATOM 1653 HH22 ARG B 8 19.203 6.948 22.215 1.00 0.00 H ATOM 1654 HH21 ARG B 8 20.515 7.682 21.223 1.00 0.00 H ATOM 1655 H ARG B 8 19.482 12.393 16.420 1.00 0.00 H ATOM 1656 N PRO B 9 17.733 10.445 12.854 1.00 40.51 N ATOM 1657 CA PRO B 9 16.815 10.731 11.762 1.00 40.73 C ATOM 1658 C PRO B 9 15.396 10.253 12.045 1.00 40.90 C ATOM 1659 O PRO B 9 14.943 9.230 11.535 1.00 40.24 O ATOM 1660 CB PRO B 9 17.436 9.990 10.587 1.00 40.70 C ATOM 1661 CG PRO B 9 18.079 8.791 11.257 1.00 41.39 C ATOM 1662 CD PRO B 9 18.614 9.302 12.553 1.00 40.57 C ATOM 1663 HA PRO B 9 16.699 11.800 11.586 1.00 0.00 H ATOM 1664 HD3 PRO B 9 18.547 8.541 13.331 1.00 0.00 H ATOM 1665 HD2 PRO B 9 19.650 9.624 12.449 1.00 0.00 H ATOM 1666 HG3 PRO B 9 18.886 8.396 10.640 1.00 0.00 H ATOM 1667 HG2 PRO B 9 17.340 8.009 11.431 1.00 0.00 H ATOM 1668 HB2 PRO B 9 16.676 9.680 9.870 1.00 0.00 H ATOM 1669 HB3 PRO B 9 18.180 10.605 10.082 1.00 0.00 H ATOM 1670 N LEU B 10 14.708 11.045 12.852 1.00 41.24 N ATOM 1671 CA LEU B 10 13.324 10.802 13.225 1.00 41.66 C ATOM 1672 C LEU B 10 12.389 11.506 12.252 1.00 42.03 C ATOM 1673 O LEU B 10 12.616 12.667 11.875 1.00 40.27 O ATOM 1674 CB LEU B 10 13.076 11.340 14.631 1.00 42.91 C ATOM 1675 CG LEU B 10 13.962 10.745 15.732 1.00 44.07 C ATOM 1676 CD1 LEU B 10 13.850 11.592 16.972 1.00 45.53 C ATOM 1677 CD2 LEU B 10 13.541 9.314 16.036 1.00 44.62 C ATOM 1678 HA LEU B 10 13.133 9.729 13.197 1.00 0.00 H ATOM 1679 HB2 LEU B 10 13.241 12.417 14.612 1.00 0.00 H ATOM 1680 HB3 LEU B 10 12.037 11.137 14.890 1.00 0.00 H ATOM 1681 HG LEU B 10 14.997 10.733 15.392 1.00 0.00 H ATOM 1682 HD21 LEU B 10 12.504 9.305 16.371 1.00 0.00 H ATOM 1683 HD22 LEU B 10 13.639 8.709 15.135 1.00 0.00 H ATOM 1684 HD23 LEU B 10 14.180 8.907 16.820 1.00 0.00 H ATOM 1685 HD11 LEU B 10 14.177 12.607 16.748 1.00 0.00 H ATOM 1686 HD12 LEU B 10 12.813 11.609 17.306 1.00 0.00 H ATOM 1687 HD13 LEU B 10 14.479 11.171 17.756 1.00 0.00 H ATOM 1688 H LEU B 10 15.182 11.885 13.240 1.00 0.00 H ATOM 1689 N VAL B 11 11.330 10.797 11.860 1.00 41.47 N ATOM 1690 CA VAL B 11 10.334 11.375 10.974 1.00 42.36 C ATOM 1691 C VAL B 11 8.962 10.958 11.468 1.00 42.94 C ATOM 1692 O VAL B 11 8.857 10.092 12.331 1.00 43.36 O ATOM 1693 CB VAL B 11 10.524 10.904 9.515 1.00 41.90 C ATOM 1694 CG1 VAL B 11 11.922 11.247 9.026 1.00 41.53 C ATOM 1695 CG2 VAL B 11 10.229 9.410 9.381 1.00 42.26 C ATOM 1696 HA VAL B 11 10.441 12.460 10.984 1.00 0.00 H ATOM 1697 HB VAL B 11 9.810 11.432 8.882 1.00 0.00 H ATOM 1698 HG11 VAL B 11 12.068 12.326 9.073 1.00 0.00 H ATOM 1699 HG12 VAL B 11 12.659 10.752 9.659 1.00 0.00 H ATOM 1700 HG13 VAL B 11 12.039 10.908 7.997 1.00 0.00 H ATOM 1701 HG21 VAL B 11 10.908 8.848 10.022 1.00 0.00 H ATOM 1702 HG22 VAL B 11 9.199 9.216 9.681 1.00 0.00 H ATOM 1703 HG23 VAL B 11 10.370 9.105 8.344 1.00 0.00 H ATOM 1704 H VAL B 11 11.216 9.818 12.193 1.00 0.00 H ATOM 1705 N THR B 12 7.925 11.579 10.921 1.00 43.78 N ATOM 1706 CA THR B 12 6.555 11.226 11.289 1.00 44.26 C ATOM 1707 C THR B 12 6.054 10.106 10.387 1.00 44.81 C ATOM 1708 O THR B 12 6.250 10.138 9.169 1.00 46.19 O ATOM 1709 CB THR B 12 5.607 12.432 11.221 1.00 44.61 C ATOM 1710 OG1 THR B 12 6.157 13.514 11.973 1.00 42.93 O ATOM 1711 CG2 THR B 12 4.242 12.090 11.795 1.00 44.44 C ATOM 1712 HA THR B 12 6.566 10.886 12.325 1.00 0.00 H ATOM 1713 HB THR B 12 5.492 12.711 10.174 1.00 0.00 H ATOM 1714 HG1 THR B 12 6.270 13.235 12.916 1.00 0.00 H ATOM 1715 HG23 THR B 12 3.808 11.264 11.231 1.00 0.00 H ATOM 1716 HG21 THR B 12 4.351 11.800 12.840 1.00 0.00 H ATOM 1717 HG22 THR B 12 3.591 12.961 11.725 1.00 0.00 H ATOM 1718 H THR B 12 8.089 12.329 10.219 1.00 0.00 H ATOM 1719 N ILE B 13 5.421 9.114 11.011 1.00 45.25 N ATOM 1720 CA ILE B 13 4.768 8.020 10.306 1.00 44.64 C ATOM 1721 C ILE B 13 3.296 7.991 10.677 1.00 43.76 C ATOM 1722 O ILE B 13 2.887 8.535 11.704 1.00 43.74 O ATOM 1723 CB ILE B 13 5.419 6.677 10.650 1.00 45.68 C ATOM 1724 CG1 ILE B 13 5.258 6.343 12.136 1.00 46.51 C ATOM 1725 CG2 ILE B 13 6.913 6.751 10.369 1.00 47.10 C ATOM 1726 CD1 ILE B 13 5.358 4.880 12.446 1.00 46.19 C ATOM 1727 HA ILE B 13 4.876 8.183 9.234 1.00 0.00 H ATOM 1728 HB ILE B 13 4.932 5.913 10.044 1.00 0.00 H ATOM 1729 HG12 ILE B 13 6.037 6.865 12.691 1.00 0.00 H ATOM 1730 HG13 ILE B 13 4.280 6.697 12.463 1.00 0.00 H ATOM 1731 HD11 ILE B 13 4.578 4.342 11.908 1.00 0.00 H ATOM 1732 HD12 ILE B 13 6.336 4.510 12.136 1.00 0.00 H ATOM 1733 HD13 ILE B 13 5.233 4.728 13.518 1.00 0.00 H ATOM 1734 HG21 ILE B 13 7.072 6.973 9.314 1.00 0.00 H ATOM 1735 HG22 ILE B 13 7.358 7.538 10.978 1.00 0.00 H ATOM 1736 HG23 ILE B 13 7.375 5.795 10.614 1.00 0.00 H ATOM 1737 H ILE B 13 5.392 9.121 12.051 1.00 0.00 H ATOM 1738 N ARG B 14 2.498 7.347 9.838 1.00 43.09 N ATOM 1739 CA ARG B 14 1.085 7.156 10.142 1.00 42.73 C ATOM 1740 C ARG B 14 0.841 5.655 10.076 1.00 42.21 C ATOM 1741 O ARG B 14 1.113 5.000 9.066 1.00 41.37 O ATOM 1742 CB ARG B 14 0.197 7.931 9.173 1.00 42.52 C ATOM 1743 HA ARG B 14 0.832 7.542 11.129 1.00 0.00 H ATOM 1744 HB2 ARG B 14 0.426 8.994 9.244 1.00 0.00 H ATOM 1745 HB3 ARG B 14 0.382 7.585 8.156 1.00 0.00 H ATOM 1746 H ARG B 14 2.886 6.972 8.949 1.00 0.00 H ATOM 1747 N ILE B 15 0.398 5.097 11.192 1.00 42.31 N ATOM 1748 CA ILE B 15 0.133 3.672 11.243 1.00 42.71 C ATOM 1749 C ILE B 15 -1.145 3.451 12.024 1.00 43.57 C ATOM 1750 O ILE B 15 -1.368 4.054 13.076 1.00 43.46 O ATOM 1751 CB ILE B 15 1.319 2.891 11.817 1.00 42.72 C ATOM 1752 CG1 ILE B 15 1.189 1.390 11.493 1.00 41.57 C ATOM 1753 CG2 ILE B 15 1.524 3.243 13.275 1.00 44.19 C ATOM 1754 CD1 ILE B 15 0.844 0.484 12.630 1.00 41.58 C ATOM 1755 HA ILE B 15 -0.000 3.286 10.232 1.00 0.00 H ATOM 1756 HB ILE B 15 2.248 3.189 11.331 1.00 0.00 H ATOM 1757 HG12 ILE B 15 0.412 1.281 10.737 1.00 0.00 H ATOM 1758 HG13 ILE B 15 2.142 1.057 11.083 1.00 0.00 H ATOM 1759 HD11 ILE B 15 1.615 0.556 13.397 1.00 0.00 H ATOM 1760 HD12 ILE B 15 -0.117 0.780 13.050 1.00 0.00 H ATOM 1761 HD13 ILE B 15 0.783 -0.543 12.269 1.00 0.00 H ATOM 1762 HG21 ILE B 15 1.723 4.311 13.365 1.00 0.00 H ATOM 1763 HG22 ILE B 15 0.625 2.991 13.838 1.00 0.00 H ATOM 1764 HG23 ILE B 15 2.370 2.680 13.668 1.00 0.00 H ATOM 1765 H ILE B 15 0.239 5.683 12.036 1.00 0.00 H ATOM 1766 N GLY B 16 -1.977 2.582 11.468 1.00 44.28 N ATOM 1767 CA GLY B 16 -3.383 2.537 11.826 1.00 45.86 C ATOM 1768 C GLY B 16 -3.909 3.960 11.796 1.00 46.52 C ATOM 1769 O GLY B 16 -3.658 4.726 10.848 1.00 46.95 O ATOM 1770 HA3 GLY B 16 -3.499 2.118 12.826 1.00 0.00 H ATOM 1771 HA2 GLY B 16 -3.930 1.923 11.110 1.00 0.00 H ATOM 1772 H GLY B 16 -1.613 1.916 10.757 1.00 0.00 H ATOM 1773 N GLY B 17 -4.626 4.297 12.862 1.00 46.93 N ATOM 1774 CA GLY B 17 -5.043 5.664 13.135 1.00 46.87 C ATOM 1775 C GLY B 17 -4.180 6.440 14.125 1.00 46.86 C ATOM 1776 O GLY B 17 -4.691 7.076 15.051 1.00 46.69 O ATOM 1777 HA3 GLY B 17 -6.058 5.631 13.531 1.00 0.00 H ATOM 1778 HA2 GLY B 17 -5.040 6.209 12.191 1.00 0.00 H ATOM 1779 H GLY B 17 -4.902 3.550 13.532 1.00 0.00 H ATOM 1780 N GLN B 18 -2.866 6.407 13.934 1.00 46.85 N ATOM 1781 CA GLN B 18 -1.966 7.132 14.819 1.00 46.56 C ATOM 1782 C GLN B 18 -0.806 7.720 14.024 1.00 46.15 C ATOM 1783 O GLN B 18 -0.264 7.055 13.137 1.00 45.17 O ATOM 1784 CB GLN B 18 -1.411 6.216 15.923 1.00 46.77 C ATOM 1785 CG GLN B 18 -2.457 5.565 16.821 1.00 48.27 C ATOM 1786 CD GLN B 18 -1.888 4.942 18.093 1.00 47.92 C ATOM 1787 OE1 GLN B 18 -2.297 5.306 19.197 1.00 50.60 O ATOM 1788 NE2 GLN B 18 -0.966 3.995 17.947 1.00 47.41 N ATOM 1789 HA GLN B 18 -2.537 7.935 15.286 1.00 0.00 H ATOM 1790 HB2 GLN B 18 -0.837 5.422 15.445 1.00 0.00 H ATOM 1791 HB3 GLN B 18 -0.750 6.811 16.553 1.00 0.00 H ATOM 1792 HG2 GLN B 18 -3.183 6.326 17.108 1.00 0.00 H ATOM 1793 HG3 GLN B 18 -2.958 4.783 16.251 1.00 0.00 H ATOM 1794 HE22 GLN B 18 -0.650 3.719 16.995 1.00 0.00 H ATOM 1795 HE21 GLN B 18 -0.561 3.530 18.784 1.00 0.00 H ATOM 1796 H GLN B 18 -2.475 5.857 13.143 1.00 0.00 H ATOM 1797 N LEU B 19 -0.437 8.957 14.362 1.00 45.36 N ATOM 1798 CA LEU B 19 0.852 9.515 13.977 1.00 45.41 C ATOM 1799 C LEU B 19 1.836 9.266 15.113 1.00 44.85 C ATOM 1800 O LEU B 19 1.463 9.377 16.280 1.00 44.02 O ATOM 1801 CB LEU B 19 0.777 11.020 13.705 1.00 46.14 C ATOM 1802 CG LEU B 19 -0.027 11.513 12.504 1.00 47.95 C ATOM 1803 CD1 LEU B 19 0.203 13.000 12.360 1.00 49.46 C ATOM 1804 CD2 LEU B 19 0.377 10.780 11.236 1.00 50.33 C ATOM 1805 HA LEU B 19 1.171 9.031 13.054 1.00 0.00 H ATOM 1806 HB2 LEU B 19 0.346 11.485 14.592 1.00 0.00 H ATOM 1807 HB3 LEU B 19 1.800 11.373 13.572 1.00 0.00 H ATOM 1808 HG LEU B 19 -1.086 11.313 12.665 1.00 0.00 H ATOM 1809 HD21 LEU B 19 1.436 10.951 11.041 1.00 0.00 H ATOM 1810 HD22 LEU B 19 0.197 9.712 11.362 1.00 0.00 H ATOM 1811 HD23 LEU B 19 -0.213 11.153 10.399 1.00 0.00 H ATOM 1812 HD11 LEU B 19 -0.128 13.507 13.267 1.00 0.00 H ATOM 1813 HD12 LEU B 19 1.265 13.189 12.203 1.00 0.00 H ATOM 1814 HD13 LEU B 19 -0.363 13.373 11.507 1.00 0.00 H ATOM 1815 H LEU B 19 -1.092 9.542 14.919 1.00 0.00 H ATOM 1816 N LYS B 20 3.080 8.964 14.752 1.00 43.81 N ATOM 1817 CA LYS B 20 4.147 8.634 15.691 1.00 44.18 C ATOM 1818 C LYS B 20 5.468 9.172 15.148 1.00 43.98 C ATOM 1819 O LYS B 20 5.586 9.388 13.943 1.00 45.35 O ATOM 1820 CB LYS B 20 4.257 7.112 15.842 1.00 44.05 C ATOM 1821 CG LYS B 20 2.967 6.436 16.272 1.00 45.01 C ATOM 1822 CD LYS B 20 3.078 4.930 16.236 1.00 45.22 C ATOM 1823 CE LYS B 20 1.856 4.303 16.889 1.00 45.70 C ATOM 1824 NZ LYS B 20 1.902 4.290 18.381 1.00 43.79 N ATOM 1825 HA LYS B 20 3.925 9.080 16.661 1.00 0.00 H ATOM 1826 HB2 LYS B 20 4.559 6.694 14.882 1.00 0.00 H ATOM 1827 HB3 LYS B 20 5.022 6.896 16.588 1.00 0.00 H ATOM 1828 HG2 LYS B 20 2.728 6.747 17.289 1.00 0.00 H ATOM 1829 HG3 LYS B 20 2.166 6.746 15.601 1.00 0.00 H ATOM 1830 HD2 LYS B 20 3.145 4.597 15.200 1.00 0.00 H ATOM 1831 HD3 LYS B 20 3.974 4.621 16.774 1.00 0.00 H ATOM 1832 HE2 LYS B 20 1.771 3.274 16.540 1.00 0.00 H ATOM 1833 HE3 LYS B 20 0.975 4.865 16.578 1.00 0.00 H ATOM 1834 HZ1 LYS B 20 2.731 3.747 18.696 1.00 0.00 H ATOM 1835 HZ2 LYS B 20 1.971 5.266 18.733 1.00 0.00 H ATOM 1836 HZ3 LYS B 20 1.036 3.848 18.749 1.00 0.00 H ATOM 1837 H LYS B 20 3.306 8.963 13.737 1.00 0.00 H ATOM 1838 N GLU B 21 6.447 9.383 16.023 1.00 43.10 N ATOM 1839 CA GLU B 21 7.837 9.595 15.604 1.00 43.55 C ATOM 1840 C GLU B 21 8.532 8.260 15.472 1.00 42.45 C ATOM 1841 O GLU B 21 8.435 7.430 16.378 1.00 43.16 O ATOM 1842 CB GLU B 21 8.655 10.358 16.643 1.00 43.42 C ATOM 1843 CG GLU B 21 8.622 11.861 16.527 1.00 47.26 C ATOM 1844 CD GLU B 21 9.833 12.518 17.189 1.00 47.07 C ATOM 1845 OE1 GLU B 21 10.194 13.618 16.719 1.00 52.43 O ATOM 1846 OE2 GLU B 21 10.430 11.944 18.133 1.00 49.09 O ATOM 1847 HA GLU B 21 7.786 10.156 14.671 1.00 0.00 H ATOM 1848 HB2 GLU B 21 8.277 10.090 17.630 1.00 0.00 H ATOM 1849 HB3 GLU B 21 9.693 10.038 16.553 1.00 0.00 H ATOM 1850 HG2 GLU B 21 8.609 12.132 15.471 1.00 0.00 H ATOM 1851 HG3 GLU B 21 7.716 12.231 17.007 1.00 0.00 H ATOM 1852 H GLU B 21 6.220 9.398 17.038 1.00 0.00 H ATOM 1853 N ALA B 22 9.289 8.098 14.394 1.00 41.63 N ATOM 1854 CA ALA B 22 10.052 6.878 14.140 1.00 41.04 C ATOM 1855 C ALA B 22 11.444 7.165 13.585 1.00 40.51 C ATOM 1856 O ALA B 22 11.661 8.173 12.913 1.00 40.14 O ATOM 1857 CB ALA B 22 9.298 5.976 13.198 1.00 41.02 C ATOM 1858 HA ALA B 22 10.182 6.378 15.100 1.00 0.00 H ATOM 1859 HB1 ALA B 22 8.338 5.710 13.641 1.00 0.00 H ATOM 1860 HB2 ALA B 22 9.132 6.496 12.254 1.00 0.00 H ATOM 1861 HB3 ALA B 22 9.880 5.072 13.019 1.00 0.00 H ATOM 1862 H ALA B 22 9.341 8.872 13.701 1.00 0.00 H ATOM 1863 N LEU B 23 12.363 6.253 13.867 1.00 39.92 N ATOM 1864 CA LEU B 23 13.776 6.383 13.526 1.00 39.81 C ATOM 1865 C LEU B 23 14.066 5.648 12.218 1.00 39.12 C ATOM 1866 O LEU B 23 13.861 4.442 12.138 1.00 39.37 O ATOM 1867 CB LEU B 23 14.616 5.730 14.630 1.00 40.06 C ATOM 1868 CG LEU B 23 16.010 6.231 15.039 1.00 41.91 C ATOM 1869 CD1 LEU B 23 16.795 5.109 15.714 1.00 42.83 C ATOM 1870 CD2 LEU B 23 16.782 6.848 13.932 1.00 44.24 C ATOM 1871 HA LEU B 23 14.021 7.440 13.422 1.00 0.00 H ATOM 1872 HB2 LEU B 23 14.007 5.771 15.533 1.00 0.00 H ATOM 1873 HB3 LEU B 23 14.748 4.691 14.330 1.00 0.00 H ATOM 1874 HG LEU B 23 15.851 7.039 15.753 1.00 0.00 H ATOM 1875 HD21 LEU B 23 16.924 6.115 13.138 1.00 0.00 H ATOM 1876 HD22 LEU B 23 16.234 7.706 13.543 1.00 0.00 H ATOM 1877 HD23 LEU B 23 17.753 7.174 14.305 1.00 0.00 H ATOM 1878 HD11 LEU B 23 16.259 4.776 16.603 1.00 0.00 H ATOM 1879 HD12 LEU B 23 16.904 4.275 15.020 1.00 0.00 H ATOM 1880 HD13 LEU B 23 17.781 5.477 15.999 1.00 0.00 H ATOM 1881 H LEU B 23 12.058 5.391 14.362 1.00 0.00 H ATOM 1882 N LEU B 24 14.501 6.372 11.192 1.00 38.60 N ATOM 1883 CA LEU B 24 14.911 5.759 9.932 1.00 38.88 C ATOM 1884 C LEU B 24 16.207 4.988 10.144 1.00 38.33 C ATOM 1885 O LEU B 24 17.252 5.611 10.284 1.00 37.64 O ATOM 1886 CB LEU B 24 15.091 6.809 8.830 1.00 38.10 C ATOM 1887 CG LEU B 24 13.816 7.577 8.444 1.00 39.09 C ATOM 1888 CD1 LEU B 24 14.080 8.465 7.237 1.00 39.97 C ATOM 1889 CD2 LEU B 24 12.602 6.691 8.176 1.00 40.62 C ATOM 1890 HA LEU B 24 14.126 5.076 9.609 1.00 0.00 H ATOM 1891 HB2 LEU B 24 15.831 7.533 9.171 1.00 0.00 H ATOM 1892 HB3 LEU B 24 15.463 6.303 7.939 1.00 0.00 H ATOM 1893 HG LEU B 24 13.564 8.180 9.316 1.00 0.00 H ATOM 1894 HD21 LEU B 24 12.825 6.010 7.354 1.00 0.00 H ATOM 1895 HD22 LEU B 24 12.368 6.116 9.072 1.00 0.00 H ATOM 1896 HD23 LEU B 24 11.749 7.316 7.911 1.00 0.00 H ATOM 1897 HD11 LEU B 24 14.867 9.179 7.478 1.00 0.00 H ATOM 1898 HD12 LEU B 24 14.393 7.848 6.395 1.00 0.00 H ATOM 1899 HD13 LEU B 24 13.168 9.002 6.976 1.00 0.00 H ATOM 1900 H LEU B 24 14.551 7.406 11.290 1.00 0.00 H ATOM 1901 N ASN B 25 16.118 3.654 10.124 1.00 38.25 N ATOM 1902 CA ASN B 25 17.156 2.764 10.656 1.00 37.78 C ATOM 1903 C ASN B 25 17.728 1.766 9.640 1.00 37.35 C ATOM 1904 O ASN B 25 17.230 0.634 9.494 1.00 37.15 O ATOM 1905 CB ASN B 25 16.598 2.003 11.873 1.00 37.92 C ATOM 1906 CG ASN B 25 17.679 1.310 12.699 1.00 38.86 C ATOM 1907 OD1 ASN B 25 18.822 1.160 12.217 1.00 39.34 O ATOM 1908 ND2 ASN B 25 17.392 0.913 13.855 1.00 40.93 N ATOM 1909 HA ASN B 25 17.990 3.407 10.936 1.00 0.00 H ATOM 1910 HB2 ASN B 25 16.073 2.712 12.514 1.00 0.00 H ATOM 1911 HB3 ASN B 25 15.896 1.248 11.518 1.00 0.00 H ATOM 1912 HD22 ASN B 25 16.432 1.052 14.229 1.00 0.00 H ATOM 1913 HD21 ASN B 25 18.115 0.445 14.438 1.00 0.00 H ATOM 1914 H ASN B 25 15.267 3.224 9.709 1.00 0.00 H ATOM 1915 N THR B 26 18.830 2.161 9.001 1.00 37.74 N ATOM 1916 CA THR B 26 19.499 1.308 8.017 1.00 37.74 C ATOM 1917 C THR B 26 20.123 0.064 8.646 1.00 37.76 C ATOM 1918 O THR B 26 20.509 -0.865 7.929 1.00 38.19 O ATOM 1919 CB THR B 26 20.579 2.063 7.200 1.00 37.21 C ATOM 1920 OG1 THR B 26 21.587 2.618 8.058 1.00 35.41 O ATOM 1921 CG2 THR B 26 19.947 3.124 6.318 1.00 38.30 C ATOM 1922 HA THR B 26 18.707 0.996 7.336 1.00 0.00 H ATOM 1923 HB THR B 26 21.073 1.343 6.547 1.00 0.00 H ATOM 1924 HG1 THR B 26 22.026 1.889 8.564 1.00 0.00 H ATOM 1925 HG23 THR B 26 19.189 2.663 5.684 1.00 0.00 H ATOM 1926 HG21 THR B 26 19.484 3.887 6.944 1.00 0.00 H ATOM 1927 HG22 THR B 26 20.715 3.581 5.695 1.00 0.00 H ATOM 1928 H THR B 26 19.225 3.101 9.207 1.00 0.00 H ATOM 1929 N GLY B 27 20.254 0.082 9.972 1.00 38.45 N ATOM 1930 CA GLY B 27 20.820 -1.014 10.735 1.00 37.92 C ATOM 1931 C GLY B 27 19.787 -1.995 11.237 1.00 37.67 C ATOM 1932 O GLY B 27 20.108 -2.831 12.063 1.00 38.75 O ATOM 1933 HA3 GLY B 27 21.349 -0.600 11.593 1.00 0.00 H ATOM 1934 HA2 GLY B 27 21.525 -1.550 10.099 1.00 0.00 H ATOM 1935 H GLY B 27 19.933 0.927 10.487 1.00 0.00 H ATOM 1936 N ALA B 28 18.560 -1.898 10.736 1.00 37.86 N ATOM 1937 CA ALA B 28 17.461 -2.747 11.164 1.00 37.39 C ATOM 1938 C ALA B 28 16.898 -3.487 9.957 1.00 37.20 C ATOM 1939 O ALA B 28 16.470 -2.847 8.998 1.00 36.07 O ATOM 1940 CB ALA B 28 16.367 -1.891 11.775 1.00 37.41 C ATOM 1941 HA ALA B 28 17.822 -3.463 11.903 1.00 0.00 H ATOM 1942 HB1 ALA B 28 16.766 -1.352 12.634 1.00 0.00 H ATOM 1943 HB2 ALA B 28 16.008 -1.178 11.033 1.00 0.00 H ATOM 1944 HB3 ALA B 28 15.544 -2.530 12.095 1.00 0.00 H ATOM 1945 H ALA B 28 18.378 -1.182 10.004 1.00 0.00 H ATOM 1946 N ASP B 29 16.900 -4.818 10.001 1.00 37.40 N ATOM 1947 CA ASP B 29 16.296 -5.636 8.937 1.00 37.75 C ATOM 1948 C ASP B 29 14.778 -5.403 8.888 1.00 38.03 C ATOM 1949 O ASP B 29 14.177 -5.306 7.817 1.00 39.06 O ATOM 1950 CB ASP B 29 16.548 -7.123 9.193 1.00 37.88 C ATOM 1951 CG ASP B 29 18.023 -7.481 9.264 1.00 38.89 C ATOM 1952 OD1 ASP B 29 18.851 -6.706 8.753 1.00 38.59 O ATOM 1953 OD2 ASP B 29 18.351 -8.554 9.822 1.00 39.13 O ATOM 1954 HA ASP B 29 16.751 -5.344 7.991 1.00 0.00 H ATOM 1955 HB2 ASP B 29 16.080 -7.395 10.139 1.00 0.00 H ATOM 1956 HB3 ASP B 29 16.092 -7.695 8.385 1.00 0.00 H ATOM 1957 H ASP B 29 17.342 -5.294 10.813 1.00 0.00 H ATOM 1958 N ASP B 30 14.197 -5.232 10.070 1.00 38.34 N ATOM 1959 CA ASP B 30 12.757 -5.210 10.294 1.00 38.16 C ATOM 1960 C ASP B 30 12.363 -3.890 10.920 1.00 39.07 C ATOM 1961 O ASP B 30 13.198 -3.153 11.465 1.00 39.81 O ATOM 1962 CB ASP B 30 12.343 -6.318 11.253 1.00 38.56 C ATOM 1963 CG ASP B 30 12.634 -7.718 10.729 1.00 38.44 C ATOM 1964 OD1 ASP B 30 12.678 -7.946 9.510 1.00 39.11 O ATOM 1965 OD2 ASP B 30 12.807 -8.624 11.560 1.00 44.22 O ATOM 1966 HA ASP B 30 12.264 -5.350 9.332 1.00 0.00 H ATOM 1967 HB2 ASP B 30 12.882 -6.182 12.191 1.00 0.00 H ATOM 1968 HB3 ASP B 30 11.272 -6.234 11.435 1.00 0.00 H ATOM 1969 H ASP B 30 14.815 -5.104 10.897 1.00 0.00 H ATOM 1970 N THR B 31 11.063 -3.633 10.854 1.00 39.18 N ATOM 1971 CA THR B 31 10.444 -2.450 11.425 1.00 39.18 C ATOM 1972 C THR B 31 9.839 -2.850 12.775 1.00 38.92 C ATOM 1973 O THR B 31 9.113 -3.841 12.865 1.00 38.61 O ATOM 1974 CB THR B 31 9.400 -1.891 10.417 1.00 39.30 C ATOM 1975 OG1 THR B 31 10.092 -1.382 9.265 1.00 37.78 O ATOM 1976 CG2 THR B 31 8.527 -0.795 11.013 1.00 39.53 C ATOM 1977 HA THR B 31 11.160 -1.648 11.605 1.00 0.00 H ATOM 1978 HB THR B 31 8.735 -2.711 10.144 1.00 0.00 H ATOM 1979 HG1 THR B 31 10.608 -2.113 8.842 1.00 0.00 H ATOM 1980 HG23 THR B 31 8.004 -1.184 11.886 1.00 0.00 H ATOM 1981 HG21 THR B 31 9.154 0.047 11.308 1.00 0.00 H ATOM 1982 HG22 THR B 31 7.801 -0.466 10.269 1.00 0.00 H ATOM 1983 H THR B 31 10.452 -4.318 10.365 1.00 0.00 H ATOM 1984 N VAL B 32 10.186 -2.101 13.819 1.00 39.02 N ATOM 1985 CA VAL B 32 9.770 -2.392 15.194 1.00 40.01 C ATOM 1986 C VAL B 32 9.158 -1.157 15.854 1.00 40.10 C ATOM 1987 O VAL B 32 9.816 -0.131 16.028 1.00 40.62 O ATOM 1988 CB VAL B 32 10.928 -2.840 16.117 1.00 40.08 C ATOM 1989 CG1 VAL B 32 10.374 -3.639 17.282 1.00 40.83 C ATOM 1990 CG2 VAL B 32 11.973 -3.642 15.361 1.00 42.30 C ATOM 1991 HA VAL B 32 9.053 -3.206 15.091 1.00 0.00 H ATOM 1992 HB VAL B 32 11.424 -1.948 16.498 1.00 0.00 H ATOM 1993 HG11 VAL B 32 9.679 -3.019 17.848 1.00 0.00 H ATOM 1994 HG12 VAL B 32 9.853 -4.518 16.903 1.00 0.00 H ATOM 1995 HG13 VAL B 32 11.194 -3.952 17.929 1.00 0.00 H ATOM 1996 HG21 VAL B 32 11.509 -4.532 14.936 1.00 0.00 H ATOM 1997 HG22 VAL B 32 12.389 -3.031 14.560 1.00 0.00 H ATOM 1998 HG23 VAL B 32 12.768 -3.937 16.046 1.00 0.00 H ATOM 1999 H VAL B 32 10.783 -1.266 13.651 1.00 0.00 H ATOM 2000 N LEU B 33 7.896 -1.287 16.245 1.00 40.27 N ATOM 2001 CA LEU B 33 7.142 -0.205 16.848 1.00 40.51 C ATOM 2002 C LEU B 33 6.973 -0.468 18.334 1.00 40.74 C ATOM 2003 O LEU B 33 6.847 -1.624 18.744 1.00 40.80 O ATOM 2004 CB LEU B 33 5.764 -0.064 16.186 1.00 40.84 C ATOM 2005 CG LEU B 33 5.716 0.268 14.690 1.00 41.19 C ATOM 2006 CD1 LEU B 33 4.278 0.533 14.279 1.00 42.09 C ATOM 2007 CD2 LEU B 33 6.593 1.450 14.303 1.00 39.78 C ATOM 2008 HA LEU B 33 7.691 0.725 16.700 1.00 0.00 H ATOM 2009 HB2 LEU B 33 5.238 -1.009 16.326 1.00 0.00 H ATOM 2010 HB3 LEU B 33 5.231 0.728 16.712 1.00 0.00 H ATOM 2011 HG LEU B 33 6.115 -0.596 14.159 1.00 0.00 H ATOM 2012 HD21 LEU B 33 6.266 2.337 14.846 1.00 0.00 H ATOM 2013 HD22 LEU B 33 7.630 1.230 14.556 1.00 0.00 H ATOM 2014 HD23 LEU B 33 6.509 1.627 13.231 1.00 0.00 H ATOM 2015 HD11 LEU B 33 3.676 -0.354 14.475 1.00 0.00 H ATOM 2016 HD12 LEU B 33 3.887 1.374 14.852 1.00 0.00 H ATOM 2017 HD13 LEU B 33 4.243 0.769 13.215 1.00 0.00 H ATOM 2018 H LEU B 33 7.427 -2.206 16.113 1.00 0.00 H ATOM 2019 N GLU B 34 6.989 0.618 19.111 1.00 40.76 N ATOM 2020 CA GLU B 34 6.722 0.591 20.544 1.00 41.36 C ATOM 2021 C GLU B 34 5.350 -0.041 20.775 1.00 41.33 C ATOM 2022 O GLU B 34 4.457 0.071 19.935 1.00 41.39 O ATOM 2023 CB GLU B 34 6.729 2.007 21.123 1.00 40.56 C ATOM 2024 CG GLU B 34 8.043 2.792 20.975 1.00 43.25 C ATOM 2025 CD GLU B 34 7.895 4.301 21.228 1.00 43.32 C ATOM 2026 OE1 GLU B 34 6.822 4.737 21.697 1.00 46.03 O ATOM 2027 OE2 GLU B 34 8.843 5.063 20.933 1.00 44.25 O ATOM 2028 HA GLU B 34 7.499 0.010 21.040 1.00 0.00 H ATOM 2029 HB2 GLU B 34 5.944 2.575 20.624 1.00 0.00 H ATOM 2030 HB3 GLU B 34 6.503 1.933 22.187 1.00 0.00 H ATOM 2031 HG2 GLU B 34 8.765 2.393 21.688 1.00 0.00 H ATOM 2032 HG3 GLU B 34 8.418 2.648 19.962 1.00 0.00 H ATOM 2033 H GLU B 34 7.204 1.535 18.669 1.00 0.00 H ATOM 2034 N GLU B 35 5.191 -0.697 21.917 1.00 41.70 N ATOM 2035 CA GLU B 35 3.947 -1.362 22.270 1.00 42.48 C ATOM 2036 C GLU B 35 2.714 -0.526 21.927 1.00 42.95 C ATOM 2037 O GLU B 35 2.603 0.629 22.346 1.00 41.36 O ATOM 2038 CB GLU B 35 3.914 -1.657 23.766 1.00 42.25 C ATOM 2039 CG GLU B 35 2.673 -2.392 24.236 1.00 43.77 C ATOM 2040 CD GLU B 35 2.456 -3.679 23.467 1.00 47.07 C ATOM 2041 OE1 GLU B 35 1.308 -3.910 23.026 1.00 50.24 O ATOM 2042 OE2 GLU B 35 3.446 -4.424 23.293 1.00 48.65 O ATOM 2043 HA GLU B 35 3.916 -2.282 21.687 1.00 0.00 H ATOM 2044 HB2 GLU B 35 4.784 -2.266 24.012 1.00 0.00 H ATOM 2045 HB3 GLU B 35 3.972 -0.709 24.301 1.00 0.00 H ATOM 2046 HG2 GLU B 35 2.782 -2.627 25.295 1.00 0.00 H ATOM 2047 HG3 GLU B 35 1.806 -1.746 24.096 1.00 0.00 H ATOM 2048 H GLU B 35 5.987 -0.737 22.586 1.00 0.00 H ATOM 2049 N MET B 36 1.783 -1.143 21.206 1.00 43.30 N ATOM 2050 CA MET B 36 0.507 -0.518 20.881 1.00 45.06 C ATOM 2051 C MET B 36 -0.502 -1.618 20.589 1.00 45.81 C ATOM 2052 O MET B 36 -0.131 -2.678 20.093 1.00 45.71 O ATOM 2053 CB MET B 36 0.659 0.406 19.672 1.00 44.99 C ATOM 2054 CG MET B 36 1.215 -0.280 18.428 1.00 47.03 C ATOM 2055 SD MET B 36 1.233 0.736 16.924 1.00 47.80 S ATOM 2056 CE MET B 36 -0.489 1.208 16.758 1.00 47.13 C ATOM 2057 HA MET B 36 0.163 0.087 21.720 1.00 0.00 H ATOM 2058 HB2 MET B 36 -0.322 0.815 19.428 1.00 0.00 H ATOM 2059 HB3 MET B 36 1.332 1.219 19.945 1.00 0.00 H ATOM 2060 HG2 MET B 36 0.608 -1.163 18.231 1.00 0.00 H ATOM 2061 HG3 MET B 36 2.240 -0.585 18.641 1.00 0.00 H ATOM 2062 HE1 MET B 36 -1.102 0.312 16.658 1.00 0.00 H ATOM 2063 HE2 MET B 36 -0.799 1.765 17.643 1.00 0.00 H ATOM 2064 HE3 MET B 36 -0.609 1.833 15.873 1.00 0.00 H ATOM 2065 H MET B 36 1.972 -2.106 20.862 1.00 0.00 H ATOM 2066 N ASN B 37 -1.775 -1.366 20.878 1.00 46.47 N ATOM 2067 CA ASN B 37 -2.765 -2.430 20.826 1.00 47.44 C ATOM 2068 C ASN B 37 -3.466 -2.531 19.467 1.00 47.33 C ATOM 2069 O ASN B 37 -4.667 -2.295 19.337 1.00 46.60 O ATOM 2070 CB ASN B 37 -3.754 -2.280 21.992 1.00 48.00 C ATOM 2071 CG ASN B 37 -4.406 -3.594 22.372 1.00 50.07 C ATOM 2072 OD1 ASN B 37 -5.505 -3.611 22.932 1.00 53.78 O ATOM 2073 ND2 ASN B 37 -3.741 -4.707 22.059 1.00 51.56 N ATOM 2074 HA ASN B 37 -2.242 -3.379 20.941 1.00 0.00 H ATOM 2075 HB2 ASN B 37 -3.218 -1.892 22.858 1.00 0.00 H ATOM 2076 HB3 ASN B 37 -4.532 -1.574 21.702 1.00 0.00 H ATOM 2077 HD22 ASN B 37 -2.816 -4.645 21.587 1.00 0.00 H ATOM 2078 HD21 ASN B 37 -4.147 -5.637 22.287 1.00 0.00 H ATOM 2079 H ASN B 37 -2.064 -0.403 21.143 1.00 0.00 H ATOM 2080 N LEU B 38 -2.678 -2.905 18.465 1.00 47.73 N ATOM 2081 CA LEU B 38 -3.150 -3.113 17.104 1.00 48.22 C ATOM 2082 C LEU B 38 -4.096 -4.306 16.998 1.00 47.99 C ATOM 2083 O LEU B 38 -3.836 -5.362 17.580 1.00 48.63 O ATOM 2084 CB LEU B 38 -1.977 -3.412 16.164 1.00 49.33 C ATOM 2085 CG LEU B 38 -1.214 -2.326 15.411 1.00 50.80 C ATOM 2086 CD1 LEU B 38 -0.280 -3.051 14.447 1.00 53.05 C ATOM 2087 CD2 LEU B 38 -2.119 -1.356 14.673 1.00 49.97 C ATOM 2088 HA LEU B 38 -3.667 -2.195 16.826 1.00 0.00 H ATOM 2089 HB2 LEU B 38 -1.236 -3.936 16.767 1.00 0.00 H ATOM 2090 HB3 LEU B 38 -2.367 -4.087 15.403 1.00 0.00 H ATOM 2091 HG LEU B 38 -0.665 -1.705 16.119 1.00 0.00 H ATOM 2092 HD21 LEU B 38 -2.717 -1.902 13.944 1.00 0.00 H ATOM 2093 HD22 LEU B 38 -2.777 -0.860 15.387 1.00 0.00 H ATOM 2094 HD23 LEU B 38 -1.510 -0.611 14.160 1.00 0.00 H ATOM 2095 HD11 LEU B 38 0.400 -3.688 15.012 1.00 0.00 H ATOM 2096 HD12 LEU B 38 -0.869 -3.662 13.763 1.00 0.00 H ATOM 2097 HD13 LEU B 38 0.294 -2.319 13.879 1.00 0.00 H ATOM 2098 H LEU B 38 -1.669 -3.057 18.664 1.00 0.00 H ATOM 2099 N PRO B 39 -5.171 -4.156 16.216 1.00 47.22 N ATOM 2100 CA PRO B 39 -6.005 -5.315 15.949 1.00 47.05 C ATOM 2101 C PRO B 39 -5.343 -6.179 14.889 1.00 46.80 C ATOM 2102 O PRO B 39 -4.369 -5.774 14.258 1.00 46.80 O ATOM 2103 CB PRO B 39 -7.302 -4.709 15.404 1.00 46.90 C ATOM 2104 CG PRO B 39 -6.891 -3.415 14.801 1.00 47.06 C ATOM 2105 CD PRO B 39 -5.666 -2.941 15.546 1.00 47.04 C ATOM 2106 HA PRO B 39 -6.169 -5.944 16.824 1.00 0.00 H ATOM 2107 HD3 PRO B 39 -4.920 -2.546 14.856 1.00 0.00 H ATOM 2108 HD2 PRO B 39 -5.927 -2.174 16.275 1.00 0.00 H ATOM 2109 HG3 PRO B 39 -7.694 -2.685 14.901 1.00 0.00 H ATOM 2110 HG2 PRO B 39 -6.656 -3.553 13.746 1.00 0.00 H ATOM 2111 HB2 PRO B 39 -7.744 -5.361 14.651 1.00 0.00 H ATOM 2112 HB3 PRO B 39 -8.019 -4.548 16.209 1.00 0.00 H ATOM 2113 N GLY B 40 -5.892 -7.363 14.677 1.00 46.45 N ATOM 2114 CA GLY B 40 -5.353 -8.237 13.654 1.00 46.22 C ATOM 2115 C GLY B 40 -4.606 -9.426 14.220 1.00 45.88 C ATOM 2116 O GLY B 40 -4.144 -9.425 15.366 1.00 44.69 O ATOM 2117 HA3 GLY B 40 -4.668 -7.661 13.031 1.00 0.00 H ATOM 2118 HA2 GLY B 40 -6.177 -8.604 13.042 1.00 0.00 H ATOM 2119 H GLY B 40 -6.710 -7.667 15.244 1.00 0.00 H ATOM 2120 N LYS B 41 -4.508 -10.440 13.369 1.00 45.48 N ATOM 2121 CA LYS B 41 -3.755 -11.644 13.652 1.00 45.29 C ATOM 2122 C LYS B 41 -2.276 -11.292 13.689 1.00 45.30 C ATOM 2123 O LYS B 41 -1.825 -10.336 13.056 1.00 45.54 O ATOM 2124 CB LYS B 41 -4.044 -12.712 12.601 1.00 45.41 C ATOM 2125 HA LYS B 41 -4.051 -12.052 14.618 1.00 0.00 H ATOM 2126 HB2 LYS B 41 -5.108 -12.948 12.608 1.00 0.00 H ATOM 2127 HB3 LYS B 41 -3.760 -12.338 11.617 1.00 0.00 H ATOM 2128 H LYS B 41 -4.996 -10.366 12.454 1.00 0.00 H ATOM 2129 N TRP B 42 -1.525 -12.047 14.478 1.00 44.88 N ATOM 2130 CA TRP B 42 -0.090 -11.825 14.574 1.00 44.83 C ATOM 2131 C TRP B 42 0.579 -13.155 14.850 1.00 44.91 C ATOM 2132 O TRP B 42 -0.067 -14.123 15.265 1.00 43.80 O ATOM 2133 CB TRP B 42 0.254 -10.786 15.654 1.00 44.69 C ATOM 2134 CG TRP B 42 -0.239 -11.128 17.019 1.00 44.64 C ATOM 2135 CD1 TRP B 42 -1.498 -10.901 17.519 1.00 45.13 C ATOM 2136 CD2 TRP B 42 0.480 -11.820 18.046 1.00 43.70 C ATOM 2137 NE1 TRP B 42 -1.591 -11.388 18.800 1.00 44.04 N ATOM 2138 CE2 TRP B 42 -0.391 -11.954 19.145 1.00 45.21 C ATOM 2139 CE3 TRP B 42 1.779 -12.341 18.143 1.00 43.25 C ATOM 2140 CZ2 TRP B 42 0.000 -12.585 20.330 1.00 45.73 C ATOM 2141 CZ3 TRP B 42 2.164 -12.956 19.315 1.00 44.62 C ATOM 2142 CH2 TRP B 42 1.285 -13.055 20.401 1.00 45.03 C ATOM 2143 HA TRP B 42 0.278 -11.417 13.633 1.00 0.00 H ATOM 2144 HB2 TRP B 42 1.339 -10.687 15.698 1.00 0.00 H ATOM 2145 HB3 TRP B 42 -0.185 -9.832 15.362 1.00 0.00 H ATOM 2146 HE1 TRP B 42 -2.433 -11.336 19.408 1.00 0.00 H ATOM 2147 HD1 TRP B 42 -2.305 -10.407 16.978 1.00 0.00 H ATOM 2148 HZ2 TRP B 42 -0.691 -12.699 21.165 1.00 0.00 H ATOM 2149 HH2 TRP B 42 1.632 -13.517 21.325 1.00 0.00 H ATOM 2150 HZ3 TRP B 42 3.168 -13.372 19.398 1.00 0.00 H ATOM 2151 HE3 TRP B 42 2.472 -12.261 17.306 1.00 0.00 H ATOM 2152 H TRP B 42 -1.966 -12.807 15.035 1.00 0.00 H ATOM 2153 N LYS B 43 1.886 -13.179 14.606 1.00 44.94 N ATOM 2154 CA LYS B 43 2.702 -14.350 14.888 1.00 44.85 C ATOM 2155 C LYS B 43 3.828 -13.918 15.827 1.00 44.58 C ATOM 2156 O LYS B 43 4.368 -12.825 15.690 1.00 44.56 O ATOM 2157 CB LYS B 43 3.254 -14.914 13.577 1.00 45.23 C ATOM 2158 HA LYS B 43 2.116 -15.136 15.365 1.00 0.00 H ATOM 2159 HB2 LYS B 43 2.426 -15.195 12.927 1.00 0.00 H ATOM 2160 HB3 LYS B 43 3.863 -14.156 13.085 1.00 0.00 H ATOM 2161 H LYS B 43 2.339 -12.335 14.201 1.00 0.00 H ATOM 2162 N PRO B 44 4.171 -14.761 16.813 1.00 44.15 N ATOM 2163 CA PRO B 44 5.291 -14.389 17.659 1.00 43.80 C ATOM 2164 C PRO B 44 6.627 -14.471 16.922 1.00 43.13 C ATOM 2165 O PRO B 44 6.809 -15.291 16.017 1.00 41.53 O ATOM 2166 CB PRO B 44 5.240 -15.439 18.774 1.00 44.16 C ATOM 2167 CG PRO B 44 4.703 -16.625 18.095 1.00 44.41 C ATOM 2168 CD PRO B 44 3.612 -16.062 17.223 1.00 44.10 C ATOM 2169 HA PRO B 44 5.219 -13.359 18.008 1.00 0.00 H ATOM 2170 HD3 PRO B 44 3.428 -16.702 16.360 1.00 0.00 H ATOM 2171 HD2 PRO B 44 2.686 -15.934 17.783 1.00 0.00 H ATOM 2172 HG3 PRO B 44 4.299 -17.338 18.814 1.00 0.00 H ATOM 2173 HG2 PRO B 44 5.471 -17.112 17.494 1.00 0.00 H ATOM 2174 HB2 PRO B 44 6.235 -15.634 19.173 1.00 0.00 H ATOM 2175 HB3 PRO B 44 4.582 -15.120 19.582 1.00 0.00 H ATOM 2176 N LYS B 45 7.538 -13.590 17.310 1.00 42.92 N ATOM 2177 CA LYS B 45 8.863 -13.539 16.719 1.00 43.26 C ATOM 2178 C LYS B 45 9.820 -13.075 17.811 1.00 43.18 C ATOM 2179 O LYS B 45 9.411 -12.455 18.786 1.00 41.77 O ATOM 2180 CB LYS B 45 8.880 -12.564 15.532 1.00 43.65 C ATOM 2181 CG LYS B 45 10.121 -12.636 14.661 1.00 43.50 C ATOM 2182 CD LYS B 45 10.146 -11.533 13.628 1.00 44.12 C ATOM 2183 CE LYS B 45 11.484 -11.457 12.952 1.00 45.80 C ATOM 2184 NZ LYS B 45 11.492 -11.714 11.510 1.00 47.02 N ATOM 2185 HA LYS B 45 9.159 -14.517 16.340 1.00 0.00 H ATOM 2186 HB2 LYS B 45 8.014 -12.778 14.906 1.00 0.00 H ATOM 2187 HB3 LYS B 45 8.801 -11.551 15.925 1.00 0.00 H ATOM 2188 HG2 LYS B 45 11.003 -12.546 15.295 1.00 0.00 H ATOM 2189 HG3 LYS B 45 10.139 -13.599 14.150 1.00 0.00 H ATOM 2190 HD2 LYS B 45 9.379 -11.729 12.879 1.00 0.00 H ATOM 2191 HD3 LYS B 45 9.939 -10.581 14.118 1.00 0.00 H ATOM 2192 HE2 LYS B 45 12.139 -12.189 13.425 1.00 0.00 H ATOM 2193 HE3 LYS B 45 11.883 -10.456 13.115 1.00 0.00 H ATOM 2194 HZ1 LYS B 45 11.130 -12.672 11.328 1.00 0.00 H ATOM 2195 HZ2 LYS B 45 10.887 -11.017 11.031 1.00 0.00 H ATOM 2196 HZ3 LYS B 45 12.465 -11.635 11.150 1.00 0.00 H ATOM 2197 H LYS B 45 7.296 -12.914 18.062 1.00 0.00 H ATOM 2198 N MET B 46 11.094 -13.408 17.639 1.00 43.80 N ATOM 2199 CA MET B 46 12.148 -12.893 18.487 1.00 44.17 C ATOM 2200 C MET B 46 13.145 -12.165 17.598 1.00 43.08 C ATOM 2201 O MET B 46 13.569 -12.708 16.588 1.00 41.86 O ATOM 2202 CB MET B 46 12.806 -14.028 19.273 1.00 44.22 C ATOM 2203 CG MET B 46 12.010 -14.221 20.559 1.00 45.66 C ATOM 2204 SD MET B 46 12.451 -15.574 21.601 1.00 50.11 S ATOM 2205 CE MET B 46 13.946 -14.870 22.309 1.00 50.28 C ATOM 2206 HA MET B 46 11.747 -12.197 19.224 1.00 0.00 H ATOM 2207 HB2 MET B 46 12.790 -14.946 18.685 1.00 0.00 H ATOM 2208 HB3 MET B 46 13.838 -13.767 19.510 1.00 0.00 H ATOM 2209 HG2 MET B 46 10.965 -14.353 20.279 1.00 0.00 H ATOM 2210 HG3 MET B 46 12.115 -13.309 21.147 1.00 0.00 H ATOM 2211 HE1 MET B 46 14.658 -14.655 21.512 1.00 0.00 H ATOM 2212 HE2 MET B 46 13.698 -13.948 22.835 1.00 0.00 H ATOM 2213 HE3 MET B 46 14.386 -15.582 23.008 1.00 0.00 H ATOM 2214 H MET B 46 11.343 -14.061 16.869 1.00 0.00 H ATOM 2215 N ILE B 47 13.498 -10.939 17.978 1.00 41.99 N ATOM 2216 CA ILE B 47 14.461 -10.163 17.195 1.00 42.54 C ATOM 2217 C ILE B 47 15.661 -9.787 18.054 1.00 41.50 C ATOM 2218 O ILE B 47 15.543 -9.552 19.250 1.00 41.25 O ATOM 2219 CB ILE B 47 13.839 -8.895 16.564 1.00 42.14 C ATOM 2220 CG1 ILE B 47 13.227 -7.981 17.634 1.00 42.45 C ATOM 2221 CG2 ILE B 47 12.809 -9.267 15.500 1.00 43.41 C ATOM 2222 CD1 ILE B 47 12.832 -6.624 17.105 1.00 42.90 C ATOM 2223 HA ILE B 47 14.785 -10.801 16.373 1.00 0.00 H ATOM 2224 HB ILE B 47 14.639 -8.337 16.077 1.00 0.00 H ATOM 2225 HG12 ILE B 47 12.339 -8.467 18.038 1.00 0.00 H ATOM 2226 HG13 ILE B 47 13.958 -7.843 18.431 1.00 0.00 H ATOM 2227 HD11 ILE B 47 13.713 -6.120 16.707 1.00 0.00 H ATOM 2228 HD12 ILE B 47 12.092 -6.745 16.314 1.00 0.00 H ATOM 2229 HD13 ILE B 47 12.407 -6.030 17.914 1.00 0.00 H ATOM 2230 HG21 ILE B 47 13.293 -9.849 14.716 1.00 0.00 H ATOM 2231 HG22 ILE B 47 12.015 -9.859 15.956 1.00 0.00 H ATOM 2232 HG23 ILE B 47 12.386 -8.358 15.072 1.00 0.00 H ATOM 2233 H ILE B 47 13.085 -10.528 18.840 1.00 0.00 H ATOM 2234 N GLY B 48 16.831 -9.731 17.440 1.00 42.31 N ATOM 2235 CA GLY B 48 18.052 -9.475 18.189 1.00 42.20 C ATOM 2236 C GLY B 48 18.505 -8.034 18.057 1.00 42.09 C ATOM 2237 O GLY B 48 18.424 -7.452 16.976 1.00 41.42 O ATOM 2238 HA3 GLY B 48 18.840 -10.128 17.813 1.00 0.00 H ATOM 2239 HA2 GLY B 48 17.872 -9.693 19.242 1.00 0.00 H ATOM 2240 H GLY B 48 16.879 -9.871 16.411 1.00 0.00 H ATOM 2241 N GLY B 49 18.996 -7.485 19.165 1.00 42.48 N ATOM 2242 CA GLY B 49 19.704 -6.208 19.182 1.00 42.70 C ATOM 2243 C GLY B 49 21.067 -6.302 19.858 1.00 42.47 C ATOM 2244 O GLY B 49 21.533 -7.396 20.185 1.00 41.82 O ATOM 2245 HA3 GLY B 49 19.097 -5.479 19.719 1.00 0.00 H ATOM 2246 HA2 GLY B 49 19.846 -5.874 18.154 1.00 0.00 H ATOM 2247 H GLY B 49 18.869 -7.991 20.065 1.00 0.00 H ATOM 2248 N ILE B 50 21.725 -5.170 20.092 1.00 42.48 N ATOM 2249 CA ILE B 50 23.075 -5.262 20.637 1.00 42.81 C ATOM 2250 C ILE B 50 23.087 -5.997 21.974 1.00 42.75 C ATOM 2251 O ILE B 50 24.060 -6.697 22.276 1.00 42.89 O ATOM 2252 CB ILE B 50 23.843 -3.929 20.826 1.00 43.48 C ATOM 2253 CG1 ILE B 50 23.046 -2.915 21.640 1.00 42.56 C ATOM 2254 CG2 ILE B 50 24.316 -3.344 19.495 1.00 44.97 C ATOM 2255 CD1 ILE B 50 23.964 -1.843 22.190 1.00 43.28 C ATOM 2256 HA ILE B 50 23.602 -5.813 19.858 1.00 0.00 H ATOM 2257 HB ILE B 50 24.736 -4.165 21.404 1.00 0.00 H ATOM 2258 HG12 ILE B 50 22.294 -2.452 21.001 1.00 0.00 H ATOM 2259 HG13 ILE B 50 22.553 -3.426 22.467 1.00 0.00 H ATOM 2260 HD11 ILE B 50 24.715 -2.304 22.832 1.00 0.00 H ATOM 2261 HD12 ILE B 50 24.456 -1.329 21.364 1.00 0.00 H ATOM 2262 HD13 ILE B 50 23.379 -1.128 22.768 1.00 0.00 H ATOM 2263 HG21 ILE B 50 24.982 -4.054 19.004 1.00 0.00 H ATOM 2264 HG22 ILE B 50 23.453 -3.152 18.857 1.00 0.00 H ATOM 2265 HG23 ILE B 50 24.849 -2.411 19.679 1.00 0.00 H ATOM 2266 H ILE B 50 21.290 -4.247 19.892 1.00 0.00 H ATOM 2267 N GLY B 51 22.023 -5.843 22.762 1.00 42.09 N ATOM 2268 CA GLY B 51 22.011 -6.381 24.126 1.00 41.40 C ATOM 2269 C GLY B 51 21.430 -7.771 24.324 1.00 41.36 C ATOM 2270 O GLY B 51 21.531 -8.323 25.417 1.00 41.84 O ATOM 2271 HA3 GLY B 51 21.433 -5.694 24.744 1.00 0.00 H ATOM 2272 HA2 GLY B 51 23.042 -6.404 24.478 1.00 0.00 H ATOM 2273 H GLY B 51 21.190 -5.334 22.404 1.00 0.00 H ATOM 2274 N GLY B 52 20.826 -8.336 23.283 1.00 40.58 N ATOM 2275 CA GLY B 52 20.220 -9.659 23.318 1.00 40.68 C ATOM 2276 C GLY B 52 18.938 -9.645 22.511 1.00 40.54 C ATOM 2277 O GLY B 52 18.739 -8.772 21.666 1.00 39.98 O ATOM 2278 HA3 GLY B 52 19.998 -9.931 24.350 1.00 0.00 H ATOM 2279 HA2 GLY B 52 20.910 -10.387 22.892 1.00 0.00 H ATOM 2280 H GLY B 52 20.784 -7.802 22.392 1.00 0.00 H ATOM 2281 N PHE B 53 18.055 -10.602 22.769 1.00 40.00 N ATOM 2282 CA PHE B 53 16.827 -10.721 21.998 1.00 40.19 C ATOM 2283 C PHE B 53 15.626 -10.219 22.795 1.00 39.96 C ATOM 2284 O PHE B 53 15.623 -10.258 24.017 1.00 39.69 O ATOM 2285 CB PHE B 53 16.600 -12.175 21.551 1.00 40.39 C ATOM 2286 CG PHE B 53 17.390 -12.563 20.337 1.00 40.77 C ATOM 2287 CD1 PHE B 53 18.769 -12.715 20.417 1.00 41.93 C ATOM 2288 CD2 PHE B 53 16.778 -12.728 19.104 1.00 41.72 C ATOM 2289 CE1 PHE B 53 19.520 -13.047 19.315 1.00 39.11 C ATOM 2290 CE2 PHE B 53 17.533 -13.068 17.984 1.00 40.81 C ATOM 2291 CZ PHE B 53 18.899 -13.224 18.093 1.00 40.09 C ATOM 2292 HA PHE B 53 16.932 -10.098 21.110 1.00 0.00 H ATOM 2293 HB2 PHE B 53 16.882 -12.835 22.371 1.00 0.00 H ATOM 2294 HB3 PHE B 53 15.541 -12.306 21.329 1.00 0.00 H ATOM 2295 HD2 PHE B 53 15.701 -12.591 19.011 1.00 0.00 H ATOM 2296 HE2 PHE B 53 17.044 -13.211 17.020 1.00 0.00 H ATOM 2297 HZ PHE B 53 19.489 -13.487 17.215 1.00 0.00 H ATOM 2298 HE1 PHE B 53 20.599 -13.170 19.404 1.00 0.00 H ATOM 2299 HD1 PHE B 53 19.266 -12.568 21.376 1.00 0.00 H ATOM 2300 H PHE B 53 18.244 -11.279 23.536 1.00 0.00 H ATOM 2301 N ILE B 54 14.595 -9.783 22.079 1.00 40.28 N ATOM 2302 CA ILE B 54 13.300 -9.474 22.674 1.00 40.04 C ATOM 2303 C ILE B 54 12.192 -10.177 21.892 1.00 39.86 C ATOM 2304 O ILE B 54 12.343 -10.526 20.713 1.00 40.37 O ATOM 2305 CB ILE B 54 12.999 -7.955 22.761 1.00 40.17 C ATOM 2306 CG1 ILE B 54 12.983 -7.275 21.383 1.00 39.83 C ATOM 2307 CG2 ILE B 54 13.992 -7.273 23.688 1.00 41.32 C ATOM 2308 CD1 ILE B 54 12.330 -5.886 21.373 1.00 40.37 C ATOM 2309 HA ILE B 54 13.337 -9.839 23.700 1.00 0.00 H ATOM 2310 HB ILE B 54 11.995 -7.849 23.172 1.00 0.00 H ATOM 2311 HG12 ILE B 54 14.013 -7.171 21.041 1.00 0.00 H ATOM 2312 HG13 ILE B 54 12.435 -7.915 20.692 1.00 0.00 H ATOM 2313 HD11 ILE B 54 11.294 -5.971 21.700 1.00 0.00 H ATOM 2314 HD12 ILE B 54 12.873 -5.226 22.049 1.00 0.00 H ATOM 2315 HD13 ILE B 54 12.361 -5.478 20.363 1.00 0.00 H ATOM 2316 HG21 ILE B 54 13.916 -7.709 24.684 1.00 0.00 H ATOM 2317 HG22 ILE B 54 15.002 -7.415 23.304 1.00 0.00 H ATOM 2318 HG23 ILE B 54 13.767 -6.208 23.738 1.00 0.00 H ATOM 2319 H ILE B 54 14.716 -9.657 21.054 1.00 0.00 H ATOM 2320 N LYS B 55 11.091 -10.393 22.595 1.00 38.32 N ATOM 2321 CA LYS B 55 9.890 -10.946 22.005 1.00 38.86 C ATOM 2322 C LYS B 55 9.017 -9.831 21.424 1.00 38.13 C ATOM 2323 O LYS B 55 8.766 -8.821 22.076 1.00 38.53 O ATOM 2324 CB LYS B 55 9.127 -11.771 23.045 1.00 38.51 C ATOM 2325 HA LYS B 55 10.167 -11.609 21.185 1.00 0.00 H ATOM 2326 HB2 LYS B 55 9.761 -12.584 23.398 1.00 0.00 H ATOM 2327 HB3 LYS B 55 8.853 -11.132 23.884 1.00 0.00 H ATOM 2328 H LYS B 55 11.089 -10.157 23.608 1.00 0.00 H ATOM 2329 N VAL B 56 8.525 -10.064 20.214 1.00 38.24 N ATOM 2330 CA VAL B 56 7.628 -9.140 19.513 1.00 38.72 C ATOM 2331 C VAL B 56 6.477 -9.885 18.848 1.00 39.01 C ATOM 2332 O VAL B 56 6.503 -11.104 18.716 1.00 38.62 O ATOM 2333 CB VAL B 56 8.371 -8.312 18.436 1.00 38.34 C ATOM 2334 CG1 VAL B 56 9.463 -7.485 19.083 1.00 38.25 C ATOM 2335 CG2 VAL B 56 8.954 -9.217 17.348 1.00 39.19 C ATOM 2336 HA VAL B 56 7.238 -8.462 20.272 1.00 0.00 H ATOM 2337 HB VAL B 56 7.654 -7.643 17.961 1.00 0.00 H ATOM 2338 HG11 VAL B 56 9.020 -6.809 19.814 1.00 0.00 H ATOM 2339 HG12 VAL B 56 10.172 -8.147 19.581 1.00 0.00 H ATOM 2340 HG13 VAL B 56 9.980 -6.906 18.318 1.00 0.00 H ATOM 2341 HG21 VAL B 56 9.659 -9.916 17.798 1.00 0.00 H ATOM 2342 HG22 VAL B 56 8.148 -9.771 16.867 1.00 0.00 H ATOM 2343 HG23 VAL B 56 9.469 -8.606 16.607 1.00 0.00 H ATOM 2344 H VAL B 56 8.790 -10.950 19.737 1.00 0.00 H ATOM 2345 N ARG B 57 5.467 -9.117 18.452 1.00 39.09 N ATOM 2346 CA ARG B 57 4.320 -9.599 17.707 1.00 38.91 C ATOM 2347 C ARG B 57 4.499 -9.134 16.262 1.00 39.36 C ATOM 2348 O ARG B 57 4.711 -7.949 15.997 1.00 39.65 O ATOM 2349 CB ARG B 57 3.020 -9.046 18.302 1.00 38.72 C ATOM 2350 CG ARG B 57 2.841 -9.310 19.790 1.00 39.71 C ATOM 2351 CD ARG B 57 1.422 -9.065 20.297 1.00 39.24 C ATOM 2352 NE ARG B 57 0.939 -7.709 20.063 1.00 40.55 N ATOM 2353 CZ ARG B 57 1.238 -6.660 20.823 1.00 38.84 C ATOM 2354 NH1 ARG B 57 2.069 -6.775 21.843 1.00 41.03 N ATOM 2355 NH2 ARG B 57 0.708 -5.481 20.553 1.00 40.91 N ATOM 2356 HA ARG B 57 4.255 -10.686 17.754 1.00 0.00 H ATOM 2357 HB2 ARG B 57 3.005 -7.968 18.144 1.00 0.00 H ATOM 2358 HB3 ARG B 57 2.183 -9.501 17.773 1.00 0.00 H ATOM 2359 HG2 ARG B 57 3.101 -10.350 19.988 1.00 0.00 H ATOM 2360 HG3 ARG B 57 3.519 -8.656 20.339 1.00 0.00 H ATOM 2361 HD2 ARG B 57 1.402 -9.257 21.370 1.00 0.00 H ATOM 2362 HD3 ARG B 57 0.752 -9.761 19.792 1.00 0.00 H ATOM 2363 HE ARG B 57 0.317 -7.552 19.244 1.00 0.00 H ATOM 2364 HH12 ARG B 57 2.293 -5.945 22.428 1.00 0.00 H ATOM 2365 HH11 ARG B 57 2.500 -7.696 22.061 1.00 0.00 H ATOM 2366 HH22 ARG B 57 0.940 -4.659 21.146 1.00 0.00 H ATOM 2367 HH21 ARG B 57 0.059 -5.375 19.748 1.00 0.00 H ATOM 2368 H ARG B 57 5.502 -8.106 18.692 1.00 0.00 H ATOM 2369 N GLN B 58 4.458 -10.084 15.332 1.00 39.39 N ATOM 2370 CA GLN B 58 4.610 -9.796 13.909 1.00 39.37 C ATOM 2371 C GLN B 58 3.236 -9.648 13.276 1.00 39.63 C ATOM 2372 O GLN B 58 2.452 -10.595 13.255 1.00 38.62 O ATOM 2373 CB GLN B 58 5.361 -10.924 13.207 1.00 38.99 C ATOM 2374 CG GLN B 58 5.443 -10.729 11.707 1.00 39.09 C ATOM 2375 CD GLN B 58 6.260 -11.792 11.025 1.00 39.27 C ATOM 2376 OE1 GLN B 58 7.216 -12.316 11.595 1.00 36.84 O ATOM 2377 NE2 GLN B 58 5.889 -12.111 9.791 1.00 38.94 N ATOM 2378 HA GLN B 58 5.178 -8.872 13.801 1.00 0.00 H ATOM 2379 HB2 GLN B 58 6.373 -10.972 13.608 1.00 0.00 H ATOM 2380 HB3 GLN B 58 4.847 -11.864 13.409 1.00 0.00 H ATOM 2381 HG2 GLN B 58 4.433 -10.749 11.297 1.00 0.00 H ATOM 2382 HG3 GLN B 58 5.896 -9.758 11.506 1.00 0.00 H ATOM 2383 HE22 GLN B 58 5.072 -11.637 9.355 1.00 0.00 H ATOM 2384 HE21 GLN B 58 6.415 -12.835 9.261 1.00 0.00 H ATOM 2385 H GLN B 58 4.312 -11.070 15.630 1.00 0.00 H ATOM 2386 N TYR B 59 2.969 -8.453 12.759 1.00 40.09 N ATOM 2387 CA TYR B 59 1.758 -8.152 11.990 1.00 40.46 C ATOM 2388 C TYR B 59 2.143 -7.986 10.519 1.00 40.31 C ATOM 2389 O TYR B 59 3.074 -7.243 10.213 1.00 39.19 O ATOM 2390 CB TYR B 59 1.142 -6.840 12.502 1.00 41.09 C ATOM 2391 CG TYR B 59 0.586 -6.941 13.896 1.00 41.38 C ATOM 2392 CD1 TYR B 59 1.409 -6.789 14.997 1.00 40.67 C ATOM 2393 CD2 TYR B 59 -0.765 -7.190 14.112 1.00 41.22 C ATOM 2394 CE1 TYR B 59 0.913 -6.888 16.270 1.00 41.25 C ATOM 2395 CE2 TYR B 59 -1.273 -7.283 15.382 1.00 43.02 C ATOM 2396 CZ TYR B 59 -0.426 -7.138 16.459 1.00 41.73 C ATOM 2397 OH TYR B 59 -0.917 -7.231 17.732 1.00 41.87 O ATOM 2398 HA TYR B 59 1.035 -8.960 12.101 1.00 0.00 H ATOM 2399 HB3 TYR B 59 0.335 -6.552 11.829 1.00 0.00 H ATOM 2400 HB2 TYR B 59 1.913 -6.070 12.493 1.00 0.00 H ATOM 2401 HD2 TYR B 59 -1.431 -7.313 13.258 1.00 0.00 H ATOM 2402 HE2 TYR B 59 -2.336 -7.470 15.538 1.00 0.00 H ATOM 2403 HE1 TYR B 59 1.575 -6.769 17.128 1.00 0.00 H ATOM 2404 HD1 TYR B 59 2.470 -6.587 14.849 1.00 0.00 H ATOM 2405 HH TYR B 59 -1.604 -6.532 17.871 1.00 0.00 H ATOM 2406 H TYR B 59 3.658 -7.689 12.908 1.00 0.00 H ATOM 2407 N ASP B 60 1.431 -8.681 9.630 1.00 40.18 N ATOM 2408 CA ASP B 60 1.667 -8.623 8.188 1.00 39.91 C ATOM 2409 C ASP B 60 0.692 -7.735 7.409 1.00 39.78 C ATOM 2410 O ASP B 60 -0.424 -7.440 7.848 1.00 38.52 O ATOM 2411 CB ASP B 60 1.702 -10.036 7.587 1.00 40.41 C ATOM 2412 CG ASP B 60 2.840 -10.884 8.142 1.00 41.37 C ATOM 2413 OD1 ASP B 60 3.935 -10.346 8.409 1.00 43.32 O ATOM 2414 OD2 ASP B 60 2.658 -12.109 8.294 1.00 44.05 O ATOM 2415 HA ASP B 60 2.641 -8.146 8.080 1.00 0.00 H ATOM 2416 HB2 ASP B 60 0.757 -10.533 7.808 1.00 0.00 H ATOM 2417 HB3 ASP B 60 1.824 -9.953 6.507 1.00 0.00 H ATOM 2418 H ASP B 60 0.669 -9.296 9.981 1.00 0.00 H ATOM 2419 N GLN B 61 1.147 -7.296 6.240 1.00 39.42 N ATOM 2420 CA GLN B 61 0.342 -6.487 5.320 1.00 40.25 C ATOM 2421 C GLN B 61 -0.293 -5.268 5.981 1.00 40.59 C ATOM 2422 O GLN B 61 -1.478 -4.996 5.808 1.00 40.45 O ATOM 2423 CB GLN B 61 -0.720 -7.344 4.616 1.00 41.09 C ATOM 2424 CG GLN B 61 -0.148 -8.297 3.570 1.00 41.49 C ATOM 2425 CD GLN B 61 0.633 -7.567 2.486 1.00 46.71 C ATOM 2426 OE1 GLN B 61 1.865 -7.626 2.445 1.00 48.26 O ATOM 2427 NE2 GLN B 61 -0.080 -6.843 1.623 1.00 46.51 N ATOM 2428 HA GLN B 61 1.035 -6.101 4.572 1.00 0.00 H ATOM 2429 HB2 GLN B 61 -1.241 -7.934 5.370 1.00 0.00 H ATOM 2430 HB3 GLN B 61 -1.428 -6.678 4.124 1.00 0.00 H ATOM 2431 HG2 GLN B 61 0.518 -9.003 4.066 1.00 0.00 H ATOM 2432 HG3 GLN B 61 -0.970 -8.840 3.104 1.00 0.00 H ATOM 2433 HE22 GLN B 61 -1.117 -6.822 1.694 1.00 0.00 H ATOM 2434 HE21 GLN B 61 0.401 -6.299 0.878 1.00 0.00 H ATOM 2435 H GLN B 61 2.120 -7.538 5.965 1.00 0.00 H ATOM 2436 N ILE B 62 0.509 -4.535 6.750 1.00 40.56 N ATOM 2437 CA ILE B 62 -0.006 -3.380 7.472 1.00 40.74 C ATOM 2438 C ILE B 62 0.352 -2.124 6.676 1.00 39.87 C ATOM 2439 O ILE B 62 1.530 -1.891 6.408 1.00 38.79 O ATOM 2440 CB ILE B 62 0.562 -3.290 8.899 1.00 40.03 C ATOM 2441 CG1 ILE B 62 0.201 -4.537 9.719 1.00 42.10 C ATOM 2442 CG2 ILE B 62 0.048 -2.019 9.565 1.00 41.06 C ATOM 2443 CD1 ILE B 62 -1.294 -4.812 9.886 1.00 40.79 C ATOM 2444 HA ILE B 62 -1.087 -3.478 7.572 1.00 0.00 H ATOM 2445 HB ILE B 62 1.650 -3.248 8.849 1.00 0.00 H ATOM 2446 HG12 ILE B 62 0.648 -5.402 9.228 1.00 0.00 H ATOM 2447 HG13 ILE B 62 0.633 -4.421 10.713 1.00 0.00 H ATOM 2448 HD11 ILE B 62 -1.763 -3.968 10.391 1.00 0.00 H ATOM 2449 HD12 ILE B 62 -1.749 -4.949 8.905 1.00 0.00 H ATOM 2450 HD13 ILE B 62 -1.432 -5.715 10.481 1.00 0.00 H ATOM 2451 HG21 ILE B 62 0.370 -1.152 8.988 1.00 0.00 H ATOM 2452 HG22 ILE B 62 -1.041 -2.046 9.606 1.00 0.00 H ATOM 2453 HG23 ILE B 62 0.449 -1.953 10.576 1.00 0.00 H ATOM 2454 H ILE B 62 1.514 -4.790 6.836 1.00 0.00 H ATOM 2455 N PRO B 63 -0.656 -1.318 6.289 1.00 40.12 N ATOM 2456 CA PRO B 63 -0.345 -0.051 5.626 1.00 40.65 C ATOM 2457 C PRO B 63 0.348 0.906 6.578 1.00 40.66 C ATOM 2458 O PRO B 63 -0.030 0.984 7.745 1.00 39.58 O ATOM 2459 CB PRO B 63 -1.719 0.522 5.255 1.00 40.38 C ATOM 2460 CG PRO B 63 -2.679 -0.576 5.402 1.00 41.01 C ATOM 2461 CD PRO B 63 -2.109 -1.510 6.432 1.00 39.90 C ATOM 2462 HA PRO B 63 0.318 -0.192 4.772 1.00 0.00 H ATOM 2463 HD3 PRO B 63 -2.443 -1.239 7.434 1.00 0.00 H ATOM 2464 HD2 PRO B 63 -2.390 -2.542 6.223 1.00 0.00 H ATOM 2465 HG3 PRO B 63 -2.805 -1.095 4.452 1.00 0.00 H ATOM 2466 HG2 PRO B 63 -3.643 -0.191 5.735 1.00 0.00 H ATOM 2467 HB2 PRO B 63 -1.979 1.342 5.924 1.00 0.00 H ATOM 2468 HB3 PRO B 63 -1.712 0.882 4.226 1.00 0.00 H ATOM 2469 N ILE B 64 1.342 1.637 6.085 1.00 41.50 N ATOM 2470 CA ILE B 64 2.071 2.571 6.943 1.00 42.65 C ATOM 2471 C ILE B 64 2.626 3.678 6.065 1.00 43.23 C ATOM 2472 O ILE B 64 3.227 3.390 5.027 1.00 45.17 O ATOM 2473 CB ILE B 64 3.203 1.881 7.745 1.00 43.14 C ATOM 2474 CG1 ILE B 64 4.097 2.914 8.444 1.00 43.73 C ATOM 2475 CG2 ILE B 64 4.071 1.001 6.840 1.00 44.34 C ATOM 2476 CD1 ILE B 64 4.937 2.326 9.550 1.00 43.49 C ATOM 2477 HA ILE B 64 1.385 2.978 7.686 1.00 0.00 H ATOM 2478 HB ILE B 64 2.721 1.255 8.496 1.00 0.00 H ATOM 2479 HG12 ILE B 64 4.762 3.355 7.701 1.00 0.00 H ATOM 2480 HG13 ILE B 64 3.461 3.691 8.868 1.00 0.00 H ATOM 2481 HD11 ILE B 64 4.285 1.890 10.307 1.00 0.00 H ATOM 2482 HD12 ILE B 64 5.587 1.553 9.139 1.00 0.00 H ATOM 2483 HD13 ILE B 64 5.544 3.111 10.000 1.00 0.00 H ATOM 2484 HG21 ILE B 64 3.451 0.230 6.382 1.00 0.00 H ATOM 2485 HG22 ILE B 64 4.522 1.616 6.062 1.00 0.00 H ATOM 2486 HG23 ILE B 64 4.855 0.532 7.435 1.00 0.00 H ATOM 2487 H ILE B 64 1.603 1.545 5.083 1.00 0.00 H ATOM 2488 N GLU B 65 2.386 4.929 6.443 1.00 42.84 N ATOM 2489 CA GLU B 65 2.857 6.039 5.623 1.00 42.66 C ATOM 2490 C GLU B 65 4.051 6.701 6.315 1.00 41.87 C ATOM 2491 O GLU B 65 4.004 6.967 7.506 1.00 41.35 O ATOM 2492 CB GLU B 65 1.710 7.010 5.369 1.00 42.36 C ATOM 2493 CG GLU B 65 2.039 8.152 4.424 1.00 43.90 C ATOM 2494 CD GLU B 65 0.872 9.100 4.281 1.00 43.64 C ATOM 2495 OE1 GLU B 65 0.918 10.187 4.887 1.00 44.91 O ATOM 2496 OE2 GLU B 65 -0.108 8.730 3.599 1.00 46.94 O ATOM 2497 HA GLU B 65 3.196 5.685 4.650 1.00 0.00 H ATOM 2498 HB2 GLU B 65 0.877 6.448 4.945 1.00 0.00 H ATOM 2499 HB3 GLU B 65 1.409 7.437 6.326 1.00 0.00 H ATOM 2500 HG2 GLU B 65 2.896 8.700 4.814 1.00 0.00 H ATOM 2501 HG3 GLU B 65 2.286 7.743 3.445 1.00 0.00 H ATOM 2502 H GLU B 65 1.863 5.116 7.322 1.00 0.00 H ATOM 2503 N ILE B 66 5.134 6.935 5.583 1.00 41.76 N ATOM 2504 CA ILE B 66 6.370 7.433 6.191 1.00 41.81 C ATOM 2505 C ILE B 66 6.714 8.749 5.519 1.00 41.88 C ATOM 2506 O ILE B 66 7.113 8.790 4.352 1.00 40.93 O ATOM 2507 CB ILE B 66 7.522 6.441 6.008 1.00 41.61 C ATOM 2508 CG1 ILE B 66 7.224 5.160 6.787 1.00 42.28 C ATOM 2509 CG2 ILE B 66 8.852 7.027 6.452 1.00 41.37 C ATOM 2510 CD1 ILE B 66 7.620 3.922 6.041 1.00 43.10 C ATOM 2511 HA ILE B 66 6.222 7.565 7.263 1.00 0.00 H ATOM 2512 HB ILE B 66 7.605 6.215 4.945 1.00 0.00 H ATOM 2513 HG12 ILE B 66 7.771 5.189 7.729 1.00 0.00 H ATOM 2514 HG13 ILE B 66 6.154 5.117 6.991 1.00 0.00 H ATOM 2515 HD11 ILE B 66 7.072 3.876 5.100 1.00 0.00 H ATOM 2516 HD12 ILE B 66 8.691 3.948 5.839 1.00 0.00 H ATOM 2517 HD13 ILE B 66 7.384 3.045 6.644 1.00 0.00 H ATOM 2518 HG21 ILE B 66 9.071 7.917 5.862 1.00 0.00 H ATOM 2519 HG22 ILE B 66 8.796 7.294 7.507 1.00 0.00 H ATOM 2520 HG23 ILE B 66 9.640 6.289 6.304 1.00 0.00 H ATOM 2521 H ILE B 66 5.104 6.761 4.558 1.00 0.00 H ATOM 2522 N CYS B 67 6.530 9.829 6.264 1.00 42.25 N ATOM 2523 CA CYS B 67 6.873 11.136 5.749 1.00 42.06 C ATOM 2524 C CYS B 67 6.131 11.390 4.426 1.00 41.37 C ATOM 2525 O CYS B 67 6.689 11.920 3.475 1.00 40.64 O ATOM 2526 CB CYS B 67 8.398 11.169 5.621 1.00 42.24 C ATOM 2527 SG CYS B 67 9.073 12.755 5.332 1.00 46.12 S ATOM 2528 HA CYS B 67 6.561 11.944 6.411 1.00 0.00 H ATOM 2529 HB2 CYS B 67 8.683 10.522 4.791 1.00 0.00 H ATOM 2530 HB3 CYS B 67 8.825 10.781 6.546 1.00 0.00 H ATOM 2531 HG CYS B 67 8.742 13.592 6.378 1.00 0.00 H ATOM 2532 H CYS B 67 6.137 9.736 7.223 1.00 0.00 H ATOM 2533 N GLY B 68 4.868 10.977 4.359 1.00 40.86 N ATOM 2534 CA GLY B 68 4.036 11.182 3.173 1.00 41.15 C ATOM 2535 C GLY B 68 4.122 10.085 2.124 1.00 41.05 C ATOM 2536 O GLY B 68 3.299 10.035 1.214 1.00 40.46 O ATOM 2537 HA3 GLY B 68 4.339 12.119 2.706 1.00 0.00 H ATOM 2538 HA2 GLY B 68 2.998 11.258 3.498 1.00 0.00 H ATOM 2539 H GLY B 68 4.457 10.490 5.181 1.00 0.00 H ATOM 2540 N HIS B 69 5.103 9.196 2.246 1.00 40.63 N ATOM 2541 CA HIS B 69 5.279 8.098 1.305 1.00 41.08 C ATOM 2542 C HIS B 69 4.577 6.842 1.821 1.00 41.23 C ATOM 2543 O HIS B 69 4.891 6.362 2.914 1.00 40.51 O ATOM 2544 CB HIS B 69 6.774 7.811 1.134 1.00 41.39 C ATOM 2545 CG HIS B 69 7.528 8.923 0.476 1.00 42.06 C ATOM 2546 ND1 HIS B 69 8.035 8.824 -0.803 1.00 42.39 N ATOM 2547 CD2 HIS B 69 7.857 10.160 0.921 1.00 41.97 C ATOM 2548 CE1 HIS B 69 8.639 9.958 -1.117 1.00 43.53 C ATOM 2549 NE2 HIS B 69 8.546 10.784 -0.090 1.00 42.19 N ATOM 2550 HA HIS B 69 4.844 8.379 0.346 1.00 0.00 H ATOM 2551 HB2 HIS B 69 7.206 7.637 2.119 1.00 0.00 H ATOM 2552 HB3 HIS B 69 6.885 6.913 0.527 1.00 0.00 H ATOM 2553 HD2 HIS B 69 7.619 10.581 1.898 1.00 0.00 H ATOM 2554 HE1 HIS B 69 9.131 10.175 -2.065 1.00 0.00 H ATOM 2555 H HIS B 69 5.768 9.288 3.041 1.00 0.00 H ATOM 2556 N LYS B 70 3.645 6.311 1.031 1.00 41.16 N ATOM 2557 CA LYS B 70 2.857 5.153 1.436 1.00 41.33 C ATOM 2558 C LYS B 70 3.645 3.856 1.263 1.00 41.83 C ATOM 2559 O LYS B 70 4.344 3.648 0.264 1.00 42.59 O ATOM 2560 CB LYS B 70 1.561 5.057 0.633 1.00 41.45 C ATOM 2561 CG LYS B 70 0.603 6.223 0.841 1.00 40.95 C ATOM 2562 CD LYS B 70 -0.709 5.949 0.135 1.00 41.32 C ATOM 2563 CE LYS B 70 -1.732 6.975 0.543 1.00 42.10 C ATOM 2564 NZ LYS B 70 -1.323 8.286 -0.010 1.00 44.58 N ATOM 2565 HA LYS B 70 2.618 5.289 2.491 1.00 0.00 H ATOM 2566 HB2 LYS B 70 1.818 5.011 -0.425 1.00 0.00 H ATOM 2567 HB3 LYS B 70 1.049 4.139 0.921 1.00 0.00 H ATOM 2568 HG2 LYS B 70 0.419 6.353 1.907 1.00 0.00 H ATOM 2569 HG3 LYS B 70 1.048 7.132 0.437 1.00 0.00 H ATOM 2570 HD2 LYS B 70 -0.557 5.998 -0.943 1.00 0.00 H ATOM 2571 HD3 LYS B 70 -1.065 4.955 0.406 1.00 0.00 H ATOM 2572 HE2 LYS B 70 -1.783 7.033 1.630 1.00 0.00 H ATOM 2573 HE3 LYS B 70 -2.710 6.698 0.149 1.00 0.00 H ATOM 2574 HZ1 LYS B 70 -0.389 8.544 0.367 1.00 0.00 H ATOM 2575 HZ2 LYS B 70 -1.274 8.223 -1.047 1.00 0.00 H ATOM 2576 HZ3 LYS B 70 -2.020 9.008 0.263 1.00 0.00 H ATOM 2577 H LYS B 70 3.474 6.735 0.097 1.00 0.00 H ATOM 2578 N ALA B 71 3.498 2.969 2.238 1.00 42.19 N ATOM 2579 CA ALA B 71 4.148 1.662 2.207 1.00 41.79 C ATOM 2580 C ALA B 71 3.173 0.648 2.802 1.00 41.82 C ATOM 2581 O ALA B 71 2.127 1.007 3.352 1.00 41.20 O ATOM 2582 CB ALA B 71 5.457 1.700 2.967 1.00 42.18 C ATOM 2583 HA ALA B 71 4.393 1.375 1.185 1.00 0.00 H ATOM 2584 HB1 ALA B 71 6.119 2.436 2.511 1.00 0.00 H ATOM 2585 HB2 ALA B 71 5.266 1.976 4.004 1.00 0.00 H ATOM 2586 HB3 ALA B 71 5.925 0.716 2.931 1.00 0.00 H ATOM 2587 H ALA B 71 2.899 3.213 3.053 1.00 0.00 H ATOM 2588 N ILE B 72 3.485 -0.629 2.634 1.00 41.41 N ATOM 2589 CA ILE B 72 2.684 -1.665 3.250 1.00 41.04 C ATOM 2590 C ILE B 72 3.569 -2.884 3.467 1.00 41.20 C ATOM 2591 O ILE B 72 4.302 -3.309 2.575 1.00 42.01 O ATOM 2592 CB ILE B 72 1.385 -1.986 2.456 1.00 41.22 C ATOM 2593 CG1 ILE B 72 0.654 -3.176 3.072 1.00 39.48 C ATOM 2594 CG2 ILE B 72 1.686 -2.278 1.005 1.00 42.37 C ATOM 2595 CD1 ILE B 72 -0.776 -3.363 2.583 1.00 40.70 C ATOM 2596 HA ILE B 72 2.319 -1.311 4.214 1.00 0.00 H ATOM 2597 HB ILE B 72 0.746 -1.104 2.510 1.00 0.00 H ATOM 2598 HG12 ILE B 72 1.216 -4.080 2.836 1.00 0.00 H ATOM 2599 HG13 ILE B 72 0.629 -3.038 4.153 1.00 0.00 H ATOM 2600 HD11 ILE B 72 -1.360 -2.474 2.822 1.00 0.00 H ATOM 2601 HD12 ILE B 72 -0.772 -3.517 1.504 1.00 0.00 H ATOM 2602 HD13 ILE B 72 -1.216 -4.231 3.074 1.00 0.00 H ATOM 2603 HG21 ILE B 72 2.164 -1.409 0.552 1.00 0.00 H ATOM 2604 HG22 ILE B 72 2.354 -3.137 0.940 1.00 0.00 H ATOM 2605 HG23 ILE B 72 0.757 -2.498 0.480 1.00 0.00 H ATOM 2606 H ILE B 72 4.310 -0.888 2.056 1.00 0.00 H ATOM 2607 N GLY B 73 3.493 -3.458 4.660 1.00 40.97 N ATOM 2608 CA GLY B 73 4.401 -4.542 4.983 1.00 41.03 C ATOM 2609 C GLY B 73 4.300 -5.067 6.399 1.00 40.59 C ATOM 2610 O GLY B 73 3.332 -4.830 7.113 1.00 40.93 O ATOM 2611 HA3 GLY B 73 5.420 -4.187 4.827 1.00 0.00 H ATOM 2612 HA2 GLY B 73 4.197 -5.368 4.302 1.00 0.00 H ATOM 2613 H GLY B 73 2.791 -3.135 5.356 1.00 0.00 H ATOM 2614 N THR B 74 5.321 -5.821 6.775 1.00 40.40 N ATOM 2615 CA THR B 74 5.392 -6.426 8.091 1.00 40.29 C ATOM 2616 C THR B 74 5.884 -5.419 9.123 1.00 40.22 C ATOM 2617 O THR B 74 6.896 -4.754 8.932 1.00 40.30 O ATOM 2618 CB THR B 74 6.275 -7.664 8.071 1.00 40.43 C ATOM 2619 OG1 THR B 74 5.690 -8.613 7.170 1.00 40.26 O ATOM 2620 CG2 THR B 74 6.394 -8.270 9.462 1.00 41.08 C ATOM 2621 HA THR B 74 4.387 -6.737 8.377 1.00 0.00 H ATOM 2622 HB THR B 74 7.278 -7.393 7.742 1.00 0.00 H ATOM 2623 HG1 THR B 74 4.781 -8.847 7.484 1.00 0.00 H ATOM 2624 HG23 THR B 74 6.840 -7.540 10.138 1.00 0.00 H ATOM 2625 HG21 THR B 74 5.403 -8.544 9.823 1.00 0.00 H ATOM 2626 HG22 THR B 74 7.024 -9.158 9.417 1.00 0.00 H ATOM 2627 H THR B 74 6.098 -5.985 6.104 1.00 0.00 H ATOM 2628 N VAL B 75 5.118 -5.314 10.204 1.00 40.40 N ATOM 2629 CA VAL B 75 5.422 -4.434 11.313 1.00 39.83 C ATOM 2630 C VAL B 75 5.472 -5.282 12.579 1.00 39.37 C ATOM 2631 O VAL B 75 4.546 -6.052 12.850 1.00 38.92 O ATOM 2632 CB VAL B 75 4.368 -3.319 11.356 1.00 40.59 C ATOM 2633 CG1 VAL B 75 4.404 -2.573 12.664 1.00 42.65 C ATOM 2634 CG2 VAL B 75 4.600 -2.348 10.195 1.00 40.27 C ATOM 2635 HA VAL B 75 6.390 -3.944 11.209 1.00 0.00 H ATOM 2636 HB VAL B 75 3.384 -3.779 11.262 1.00 0.00 H ATOM 2637 HG11 VAL B 75 4.206 -3.266 13.482 1.00 0.00 H ATOM 2638 HG12 VAL B 75 5.388 -2.123 12.797 1.00 0.00 H ATOM 2639 HG13 VAL B 75 3.644 -1.792 12.656 1.00 0.00 H ATOM 2640 HG21 VAL B 75 5.595 -1.911 10.282 1.00 0.00 H ATOM 2641 HG22 VAL B 75 4.520 -2.887 9.251 1.00 0.00 H ATOM 2642 HG23 VAL B 75 3.850 -1.558 10.229 1.00 0.00 H ATOM 2643 H VAL B 75 4.256 -5.894 10.256 1.00 0.00 H ATOM 2644 N LEU B 76 6.565 -5.166 13.329 1.00 38.34 N ATOM 2645 CA LEU B 76 6.716 -5.850 14.605 1.00 38.57 C ATOM 2646 C LEU B 76 6.419 -4.870 15.743 1.00 38.95 C ATOM 2647 O LEU B 76 6.825 -3.706 15.679 1.00 39.43 O ATOM 2648 CB LEU B 76 8.122 -6.439 14.755 1.00 38.21 C ATOM 2649 CG LEU B 76 8.696 -7.170 13.542 1.00 36.56 C ATOM 2650 CD1 LEU B 76 10.103 -7.659 13.830 1.00 36.77 C ATOM 2651 CD2 LEU B 76 7.812 -8.332 13.119 1.00 37.16 C ATOM 2652 HA LEU B 76 6.008 -6.678 14.645 1.00 0.00 H ATOM 2653 HB2 LEU B 76 8.799 -5.620 14.997 1.00 0.00 H ATOM 2654 HB3 LEU B 76 8.097 -7.145 15.585 1.00 0.00 H ATOM 2655 HG LEU B 76 8.731 -6.458 12.717 1.00 0.00 H ATOM 2656 HD21 LEU B 76 7.729 -9.042 13.942 1.00 0.00 H ATOM 2657 HD22 LEU B 76 6.822 -7.958 12.859 1.00 0.00 H ATOM 2658 HD23 LEU B 76 8.254 -8.827 12.254 1.00 0.00 H ATOM 2659 HD11 LEU B 76 10.741 -6.807 14.065 1.00 0.00 H ATOM 2660 HD12 LEU B 76 10.082 -8.343 14.678 1.00 0.00 H ATOM 2661 HD13 LEU B 76 10.493 -8.177 12.954 1.00 0.00 H ATOM 2662 H LEU B 76 7.342 -4.563 12.990 1.00 0.00 H ATOM 2663 N VAL B 77 5.698 -5.353 16.759 1.00 39.08 N ATOM 2664 CA VAL B 77 5.319 -4.555 17.922 1.00 39.22 C ATOM 2665 C VAL B 77 5.865 -5.224 19.175 1.00 39.80 C ATOM 2666 O VAL B 77 5.667 -6.419 19.387 1.00 39.76 O ATOM 2667 CB VAL B 77 3.790 -4.392 18.055 1.00 38.95 C ATOM 2668 CG1 VAL B 77 3.437 -3.538 19.264 1.00 39.09 C ATOM 2669 CG2 VAL B 77 3.206 -3.773 16.799 1.00 39.89 C ATOM 2670 HA VAL B 77 5.741 -3.558 17.794 1.00 0.00 H ATOM 2671 HB VAL B 77 3.361 -5.384 18.192 1.00 0.00 H ATOM 2672 HG11 VAL B 77 3.819 -4.014 20.167 1.00 0.00 H ATOM 2673 HG12 VAL B 77 3.887 -2.551 19.154 1.00 0.00 H ATOM 2674 HG13 VAL B 77 2.354 -3.439 19.334 1.00 0.00 H ATOM 2675 HG21 VAL B 77 3.653 -2.792 16.637 1.00 0.00 H ATOM 2676 HG22 VAL B 77 3.420 -4.416 15.945 1.00 0.00 H ATOM 2677 HG23 VAL B 77 2.127 -3.668 16.915 1.00 0.00 H ATOM 2678 H VAL B 77 5.392 -6.346 16.720 1.00 0.00 H ATOM 2679 N GLY B 78 6.520 -4.434 20.018 1.00 40.07 N ATOM 2680 CA GLY B 78 7.023 -4.931 21.281 1.00 40.39 C ATOM 2681 C GLY B 78 7.726 -3.844 22.067 1.00 40.74 C ATOM 2682 O GLY B 78 7.675 -2.666 21.715 1.00 41.33 O ATOM 2683 HA3 GLY B 78 7.727 -5.740 21.088 1.00 0.00 H ATOM 2684 HA2 GLY B 78 6.188 -5.310 21.870 1.00 0.00 H ATOM 2685 H GLY B 78 6.675 -3.437 19.765 1.00 0.00 H ATOM 2686 N PRO B 79 8.418 -4.240 23.138 1.00 41.07 N ATOM 2687 CA PRO B 79 8.973 -3.266 24.067 1.00 41.27 C ATOM 2688 C PRO B 79 10.309 -2.720 23.579 1.00 41.62 C ATOM 2689 O PRO B 79 11.347 -2.969 24.202 1.00 42.09 O ATOM 2690 CB PRO B 79 9.123 -4.086 25.350 1.00 40.80 C ATOM 2691 CG PRO B 79 9.423 -5.459 24.864 1.00 40.80 C ATOM 2692 CD PRO B 79 8.705 -5.625 23.556 1.00 40.93 C ATOM 2693 HA PRO B 79 8.351 -2.380 24.192 1.00 0.00 H ATOM 2694 HD3 PRO B 79 9.338 -6.129 22.826 1.00 0.00 H ATOM 2695 HD2 PRO B 79 7.783 -6.191 23.687 1.00 0.00 H ATOM 2696 HG3 PRO B 79 9.068 -6.197 25.583 1.00 0.00 H ATOM 2697 HG2 PRO B 79 10.497 -5.580 24.721 1.00 0.00 H ATOM 2698 HB2 PRO B 79 9.940 -3.704 25.962 1.00 0.00 H ATOM 2699 HB3 PRO B 79 8.200 -4.072 25.929 1.00 0.00 H ATOM 2700 N THR B 80 10.265 -2.019 22.448 1.00 42.10 N ATOM 2701 CA THR B 80 11.386 -1.213 21.954 1.00 42.07 C ATOM 2702 C THR B 80 11.208 0.175 22.571 1.00 42.08 C ATOM 2703 O THR B 80 10.079 0.627 22.730 1.00 41.92 O ATOM 2704 CB THR B 80 11.411 -1.095 20.400 1.00 42.24 C ATOM 2705 OG1 THR B 80 12.446 -0.190 19.985 1.00 43.19 O ATOM 2706 CG2 THR B 80 10.077 -0.581 19.835 1.00 41.90 C ATOM 2707 HA THR B 80 12.328 -1.685 22.234 1.00 0.00 H ATOM 2708 HB THR B 80 11.595 -2.098 20.016 1.00 0.00 H ATOM 2709 HG1 THR B 80 12.277 0.704 20.375 1.00 0.00 H ATOM 2710 HG23 THR B 80 9.273 -1.253 20.137 1.00 0.00 H ATOM 2711 HG21 THR B 80 9.881 0.419 20.222 1.00 0.00 H ATOM 2712 HG22 THR B 80 10.134 -0.546 18.747 1.00 0.00 H ATOM 2713 H THR B 80 9.390 -2.044 21.886 1.00 0.00 H ATOM 2714 N PRO B 81 12.309 0.854 22.930 1.00 42.39 N ATOM 2715 CA PRO B 81 12.212 2.221 23.426 1.00 42.21 C ATOM 2716 C PRO B 81 11.957 3.287 22.366 1.00 42.35 C ATOM 2717 O PRO B 81 11.738 4.443 22.723 1.00 42.25 O ATOM 2718 CB PRO B 81 13.595 2.453 24.049 1.00 42.67 C ATOM 2719 CG PRO B 81 14.499 1.585 23.286 1.00 42.98 C ATOM 2720 CD PRO B 81 13.701 0.366 22.931 1.00 42.03 C ATOM 2721 HA PRO B 81 11.358 2.314 24.097 1.00 0.00 H ATOM 2722 HD3 PRO B 81 13.983 -0.012 21.948 1.00 0.00 H ATOM 2723 HD2 PRO B 81 13.838 -0.420 23.674 1.00 0.00 H ATOM 2724 HG3 PRO B 81 15.362 1.310 23.893 1.00 0.00 H ATOM 2725 HG2 PRO B 81 14.838 2.092 22.383 1.00 0.00 H ATOM 2726 HB2 PRO B 81 13.891 3.497 23.951 1.00 0.00 H ATOM 2727 HB3 PRO B 81 13.593 2.175 25.103 1.00 0.00 H ATOM 2728 N VAL B 82 12.040 2.918 21.090 1.00 42.29 N ATOM 2729 CA VAL B 82 11.890 3.853 19.979 1.00 42.02 C ATOM 2730 C VAL B 82 11.223 3.121 18.823 1.00 41.95 C ATOM 2731 O VAL B 82 11.488 1.932 18.616 1.00 41.26 O ATOM 2732 CB VAL B 82 13.269 4.411 19.536 1.00 42.91 C ATOM 2733 CG1 VAL B 82 14.196 3.303 19.109 1.00 44.26 C ATOM 2734 CG2 VAL B 82 13.156 5.410 18.390 1.00 43.23 C ATOM 2735 HA VAL B 82 11.277 4.698 20.294 1.00 0.00 H ATOM 2736 HB VAL B 82 13.673 4.923 20.409 1.00 0.00 H ATOM 2737 HG11 VAL B 82 14.350 2.618 19.943 1.00 0.00 H ATOM 2738 HG12 VAL B 82 13.754 2.764 18.271 1.00 0.00 H ATOM 2739 HG13 VAL B 82 15.153 3.728 18.805 1.00 0.00 H ATOM 2740 HG21 VAL B 82 12.699 4.923 17.529 1.00 0.00 H ATOM 2741 HG22 VAL B 82 12.538 6.252 18.703 1.00 0.00 H ATOM 2742 HG23 VAL B 82 14.150 5.767 18.122 1.00 0.00 H ATOM 2743 H VAL B 82 12.220 1.917 20.874 1.00 0.00 H ATOM 2744 N ASN B 83 10.363 3.823 18.088 1.00 41.13 N ATOM 2745 CA ASN B 83 9.810 3.279 16.858 1.00 40.94 C ATOM 2746 C ASN B 83 10.930 3.263 15.809 1.00 40.76 C ATOM 2747 O ASN B 83 11.604 4.280 15.579 1.00 39.60 O ATOM 2748 CB ASN B 83 8.600 4.077 16.347 1.00 40.90 C ATOM 2749 CG ASN B 83 7.446 4.105 17.331 1.00 39.84 C ATOM 2750 OD1 ASN B 83 6.926 3.063 17.717 1.00 40.59 O ATOM 2751 ND2 ASN B 83 7.048 5.301 17.754 1.00 39.67 N ATOM 2752 HA ASN B 83 9.442 2.272 17.052 1.00 0.00 H ATOM 2753 HB2 ASN B 83 8.917 5.102 16.154 1.00 0.00 H ATOM 2754 HB3 ASN B 83 8.253 3.624 15.418 1.00 0.00 H ATOM 2755 HD22 ASN B 83 7.517 6.160 17.401 1.00 0.00 H ATOM 2756 HD21 ASN B 83 6.268 5.378 18.438 1.00 0.00 H ATOM 2757 H ASN B 83 10.082 4.775 18.398 1.00 0.00 H ATOM 2758 N ILE B 84 11.071 2.110 15.156 1.00 39.94 N ATOM 2759 CA ILE B 84 12.159 1.838 14.232 1.00 40.69 C ATOM 2760 C ILE B 84 11.628 1.466 12.858 1.00 40.22 C ATOM 2761 O ILE B 84 10.917 0.466 12.703 1.00 40.54 O ATOM 2762 CB ILE B 84 13.060 0.707 14.785 1.00 40.62 C ATOM 2763 CG1 ILE B 84 13.904 1.248 15.946 1.00 40.62 C ATOM 2764 CG2 ILE B 84 13.915 0.099 13.684 1.00 41.00 C ATOM 2765 CD1 ILE B 84 14.555 0.177 16.806 1.00 40.94 C ATOM 2766 HA ILE B 84 12.754 2.746 14.130 1.00 0.00 H ATOM 2767 HB ILE B 84 12.434 -0.099 15.168 1.00 0.00 H ATOM 2768 HG12 ILE B 84 14.692 1.876 15.530 1.00 0.00 H ATOM 2769 HG13 ILE B 84 13.258 1.851 16.584 1.00 0.00 H ATOM 2770 HD11 ILE B 84 13.782 -0.455 17.243 1.00 0.00 H ATOM 2771 HD12 ILE B 84 15.217 -0.430 16.189 1.00 0.00 H ATOM 2772 HD13 ILE B 84 15.131 0.651 17.601 1.00 0.00 H ATOM 2773 HG21 ILE B 84 13.268 -0.316 12.911 1.00 0.00 H ATOM 2774 HG22 ILE B 84 14.551 0.871 13.251 1.00 0.00 H ATOM 2775 HG23 ILE B 84 14.537 -0.692 14.103 1.00 0.00 H ATOM 2776 H ILE B 84 10.364 1.364 15.316 1.00 0.00 H ATOM 2777 N ILE B 85 11.956 2.286 11.865 1.00 40.01 N ATOM 2778 CA ILE B 85 11.671 1.916 10.483 1.00 39.41 C ATOM 2779 C ILE B 85 12.885 1.168 9.916 1.00 39.28 C ATOM 2780 O ILE B 85 13.988 1.709 9.798 1.00 39.00 O ATOM 2781 CB ILE B 85 11.332 3.129 9.602 1.00 39.41 C ATOM 2782 CG1 ILE B 85 10.297 4.027 10.282 1.00 39.66 C ATOM 2783 CG2 ILE B 85 10.791 2.667 8.243 1.00 39.04 C ATOM 2784 CD1 ILE B 85 8.981 3.368 10.574 1.00 39.72 C ATOM 2785 HA ILE B 85 10.789 1.276 10.478 1.00 0.00 H ATOM 2786 HB ILE B 85 12.249 3.700 9.453 1.00 0.00 H ATOM 2787 HG12 ILE B 85 10.718 4.375 11.225 1.00 0.00 H ATOM 2788 HG13 ILE B 85 10.111 4.882 9.632 1.00 0.00 H ATOM 2789 HD11 ILE B 85 8.533 3.025 9.641 1.00 0.00 H ATOM 2790 HD12 ILE B 85 9.141 2.517 11.237 1.00 0.00 H ATOM 2791 HD13 ILE B 85 8.316 4.085 11.055 1.00 0.00 H ATOM 2792 HG21 ILE B 85 11.545 2.061 7.740 1.00 0.00 H ATOM 2793 HG22 ILE B 85 9.889 2.074 8.395 1.00 0.00 H ATOM 2794 HG23 ILE B 85 10.556 3.538 7.632 1.00 0.00 H ATOM 2795 H ILE B 85 12.417 3.194 12.074 1.00 0.00 H ATOM 2796 N GLY B 86 12.665 -0.096 9.566 1.00 39.52 N ATOM 2797 CA GLY B 86 13.723 -0.949 9.051 1.00 39.41 C ATOM 2798 C GLY B 86 13.781 -1.018 7.542 1.00 39.51 C ATOM 2799 O GLY B 86 12.918 -0.486 6.836 1.00 38.91 O ATOM 2800 HA3 GLY B 86 13.567 -1.957 9.434 1.00 0.00 H ATOM 2801 HA2 GLY B 86 14.678 -0.567 9.413 1.00 0.00 H ATOM 2802 H GLY B 86 11.706 -0.486 9.664 1.00 0.00 H ATOM 2803 N ARG B 87 14.786 -1.740 7.060 1.00 39.07 N ATOM 2804 CA ARG B 87 14.989 -1.887 5.628 1.00 39.15 C ATOM 2805 C ARG B 87 13.785 -2.395 4.845 1.00 39.38 C ATOM 2806 O ARG B 87 13.583 -1.981 3.696 1.00 39.55 O ATOM 2807 CB ARG B 87 16.220 -2.731 5.329 1.00 39.01 C ATOM 2808 CG ARG B 87 17.506 -2.031 5.747 1.00 39.01 C ATOM 2809 CD ARG B 87 18.721 -2.802 5.303 1.00 37.80 C ATOM 2810 NE ARG B 87 18.761 -4.160 5.835 1.00 36.07 N ATOM 2811 CZ ARG B 87 18.414 -5.252 5.161 1.00 37.56 C ATOM 2812 NH1 ARG B 87 17.949 -5.205 3.912 1.00 35.05 N ATOM 2813 NH2 ARG B 87 18.486 -6.414 5.782 1.00 36.73 N ATOM 2814 HA ARG B 87 15.146 -0.869 5.273 1.00 0.00 H ATOM 2815 HB2 ARG B 87 16.140 -3.674 5.870 1.00 0.00 H ATOM 2816 HB3 ARG B 87 16.259 -2.930 4.258 1.00 0.00 H ATOM 2817 HG2 ARG B 87 17.532 -1.038 5.298 1.00 0.00 H ATOM 2818 HG3 ARG B 87 17.522 -1.937 6.833 1.00 0.00 H ATOM 2819 HD2 ARG B 87 19.612 -2.271 5.639 1.00 0.00 H ATOM 2820 HD3 ARG B 87 18.720 -2.855 4.214 1.00 0.00 H ATOM 2821 HE ARG B 87 19.085 -4.283 6.815 1.00 0.00 H ATOM 2822 HH12 ARG B 87 17.689 -6.084 3.421 1.00 0.00 H ATOM 2823 HH11 ARG B 87 17.846 -4.289 3.429 1.00 0.00 H ATOM 2824 HH22 ARG B 87 18.222 -7.287 5.283 1.00 0.00 H ATOM 2825 HH21 ARG B 87 18.807 -6.456 6.770 1.00 0.00 H ATOM 2826 H ARG B 87 15.440 -2.209 7.719 1.00 0.00 H ATOM 2827 N ASN B 88 12.981 -3.263 5.451 1.00 38.92 N ATOM 2828 CA ASN B 88 11.798 -3.797 4.764 1.00 39.27 C ATOM 2829 C ASN B 88 10.890 -2.687 4.213 1.00 39.27 C ATOM 2830 O ASN B 88 10.283 -2.829 3.151 1.00 40.80 O ATOM 2831 CB ASN B 88 11.023 -4.773 5.662 1.00 38.69 C ATOM 2832 CG ASN B 88 10.250 -4.074 6.780 1.00 39.40 C ATOM 2833 OD1 ASN B 88 10.814 -3.265 7.522 1.00 39.86 O ATOM 2834 ND2 ASN B 88 8.963 -4.401 6.921 1.00 37.52 N ATOM 2835 HA ASN B 88 12.159 -4.357 3.901 1.00 0.00 H ATOM 2836 HB2 ASN B 88 10.316 -5.326 5.044 1.00 0.00 H ATOM 2837 HB3 ASN B 88 11.732 -5.468 6.112 1.00 0.00 H ATOM 2838 HD22 ASN B 88 8.527 -5.088 6.273 1.00 0.00 H ATOM 2839 HD21 ASN B 88 8.397 -3.969 7.679 1.00 0.00 H ATOM 2840 H ASN B 88 13.192 -3.567 6.423 1.00 0.00 H ATOM 2841 N LEU B 89 10.771 -1.580 4.933 1.00 39.62 N ATOM 2842 CA LEU B 89 9.979 -0.434 4.471 1.00 39.66 C ATOM 2843 C LEU B 89 10.804 0.669 3.832 1.00 39.55 C ATOM 2844 O LEU B 89 10.316 1.379 2.955 1.00 39.97 O ATOM 2845 CB LEU B 89 9.167 0.155 5.633 1.00 40.01 C ATOM 2846 CG LEU B 89 8.154 -0.795 6.273 1.00 39.66 C ATOM 2847 CD1 LEU B 89 7.394 -0.066 7.382 1.00 40.97 C ATOM 2848 CD2 LEU B 89 7.162 -1.316 5.258 1.00 38.46 C ATOM 2849 HA LEU B 89 9.320 -0.826 3.696 1.00 0.00 H ATOM 2850 HB2 LEU B 89 9.867 0.471 6.406 1.00 0.00 H ATOM 2851 HB3 LEU B 89 8.624 1.023 5.259 1.00 0.00 H ATOM 2852 HG LEU B 89 8.705 -1.641 6.683 1.00 0.00 H ATOM 2853 HD21 LEU B 89 6.620 -0.479 4.819 1.00 0.00 H ATOM 2854 HD22 LEU B 89 7.695 -1.856 4.475 1.00 0.00 H ATOM 2855 HD23 LEU B 89 6.459 -1.988 5.751 1.00 0.00 H ATOM 2856 HD11 LEU B 89 8.099 0.276 8.140 1.00 0.00 H ATOM 2857 HD12 LEU B 89 6.870 0.791 6.959 1.00 0.00 H ATOM 2858 HD13 LEU B 89 6.673 -0.747 7.835 1.00 0.00 H ATOM 2859 H LEU B 89 11.253 -1.522 5.853 1.00 0.00 H ATOM 2860 N LEU B 90 12.047 0.857 4.257 1.00 40.21 N ATOM 2861 CA LEU B 90 12.867 1.903 3.642 1.00 40.18 C ATOM 2862 C LEU B 90 13.021 1.649 2.139 1.00 40.04 C ATOM 2863 O LEU B 90 13.051 2.581 1.327 1.00 39.87 O ATOM 2864 CB LEU B 90 14.234 2.007 4.330 1.00 39.97 C ATOM 2865 CG LEU B 90 14.290 2.401 5.809 1.00 40.83 C ATOM 2866 CD1 LEU B 90 15.668 2.138 6.453 1.00 40.97 C ATOM 2867 CD2 LEU B 90 13.878 3.839 5.975 1.00 39.63 C ATOM 2868 HA LEU B 90 12.359 2.858 3.774 1.00 0.00 H ATOM 2869 HB2 LEU B 90 14.713 1.032 4.240 1.00 0.00 H ATOM 2870 HB3 LEU B 90 14.814 2.747 3.779 1.00 0.00 H ATOM 2871 HG LEU B 90 13.585 1.762 6.340 1.00 0.00 H ATOM 2872 HD21 LEU B 90 14.555 4.477 5.407 1.00 0.00 H ATOM 2873 HD22 LEU B 90 12.860 3.969 5.607 1.00 0.00 H ATOM 2874 HD23 LEU B 90 13.921 4.109 7.030 1.00 0.00 H ATOM 2875 HD11 LEU B 90 15.903 1.076 6.384 1.00 0.00 H ATOM 2876 HD12 LEU B 90 16.429 2.715 5.928 1.00 0.00 H ATOM 2877 HD13 LEU B 90 15.641 2.438 7.500 1.00 0.00 H ATOM 2878 H LEU B 90 12.435 0.267 5.020 1.00 0.00 H ATOM 2879 N THR B 91 13.126 0.382 1.752 1.00 41.01 N ATOM 2880 CA THR B 91 13.186 0.046 0.326 1.00 41.22 C ATOM 2881 C THR B 91 11.925 0.490 -0.410 1.00 41.98 C ATOM 2882 O THR B 91 12.006 1.024 -1.522 1.00 41.38 O ATOM 2883 CB THR B 91 13.453 -1.447 0.065 1.00 41.54 C ATOM 2884 OG1 THR B 91 12.500 -2.255 0.762 1.00 41.39 O ATOM 2885 CG2 THR B 91 14.859 -1.818 0.525 1.00 42.50 C ATOM 2886 HA THR B 91 14.039 0.599 -0.068 1.00 0.00 H ATOM 2887 HB THR B 91 13.361 -1.628 -1.006 1.00 0.00 H ATOM 2888 HG1 THR B 91 12.686 -3.211 0.583 1.00 0.00 H ATOM 2889 HG23 THR B 91 15.587 -1.204 -0.005 1.00 0.00 H ATOM 2890 HG21 THR B 91 14.947 -1.644 1.597 1.00 0.00 H ATOM 2891 HG22 THR B 91 15.044 -2.870 0.310 1.00 0.00 H ATOM 2892 H THR B 91 13.166 -0.375 2.464 1.00 0.00 H ATOM 2893 N GLN B 92 10.764 0.302 0.213 1.00 42.02 N ATOM 2894 CA GLN B 92 9.494 0.650 -0.431 1.00 42.28 C ATOM 2895 C GLN B 92 9.357 2.146 -0.697 1.00 42.65 C ATOM 2896 O GLN B 92 8.650 2.551 -1.629 1.00 41.61 O ATOM 2897 CB GLN B 92 8.310 0.199 0.428 1.00 42.58 C ATOM 2898 CG GLN B 92 8.139 -1.305 0.505 1.00 42.16 C ATOM 2899 CD GLN B 92 6.874 -1.721 1.239 1.00 42.95 C ATOM 2900 OE1 GLN B 92 5.887 -0.983 1.289 1.00 45.76 O ATOM 2901 NE2 GLN B 92 6.892 -2.924 1.804 1.00 44.99 N ATOM 2902 HA GLN B 92 9.490 0.130 -1.389 1.00 0.00 H ATOM 2903 HB2 GLN B 92 8.456 0.580 1.439 1.00 0.00 H ATOM 2904 HB3 GLN B 92 7.399 0.626 0.008 1.00 0.00 H ATOM 2905 HG2 GLN B 92 8.100 -1.703 -0.509 1.00 0.00 H ATOM 2906 HG3 GLN B 92 8.998 -1.727 1.026 1.00 0.00 H ATOM 2907 HE22 GLN B 92 7.744 -3.516 1.739 1.00 0.00 H ATOM 2908 HE21 GLN B 92 6.054 -3.273 2.311 1.00 0.00 H ATOM 2909 H GLN B 92 10.758 -0.099 1.173 1.00 0.00 H ATOM 2910 N ILE B 93 10.011 2.964 0.127 1.00 42.85 N ATOM 2911 CA ILE B 93 9.927 4.413 -0.054 1.00 43.32 C ATOM 2912 C ILE B 93 11.085 4.995 -0.865 1.00 43.24 C ATOM 2913 O ILE B 93 11.181 6.213 -1.039 1.00 42.29 O ATOM 2914 CB ILE B 93 9.689 5.160 1.281 1.00 43.49 C ATOM 2915 CG1 ILE B 93 10.915 5.114 2.189 1.00 43.98 C ATOM 2916 CG2 ILE B 93 8.483 4.553 1.995 1.00 43.85 C ATOM 2917 CD1 ILE B 93 10.788 5.997 3.399 1.00 43.56 C ATOM 2918 HA ILE B 93 9.041 4.584 -0.665 1.00 0.00 H ATOM 2919 HB ILE B 93 9.496 6.208 1.051 1.00 0.00 H ATOM 2920 HG12 ILE B 93 11.061 4.087 2.523 1.00 0.00 H ATOM 2921 HG13 ILE B 93 11.784 5.435 1.615 1.00 0.00 H ATOM 2922 HD11 ILE B 93 10.652 7.030 3.080 1.00 0.00 H ATOM 2923 HD12 ILE B 93 9.928 5.681 3.989 1.00 0.00 H ATOM 2924 HD13 ILE B 93 11.693 5.918 4.002 1.00 0.00 H ATOM 2925 HG21 ILE B 93 7.601 4.649 1.362 1.00 0.00 H ATOM 2926 HG22 ILE B 93 8.674 3.499 2.196 1.00 0.00 H ATOM 2927 HG23 ILE B 93 8.316 5.079 2.935 1.00 0.00 H ATOM 2928 H ILE B 93 10.583 2.571 0.901 1.00 0.00 H ATOM 2929 N GLY B 94 11.918 4.118 -1.420 1.00 43.09 N ATOM 2930 CA GLY B 94 13.003 4.554 -2.286 1.00 43.22 C ATOM 2931 C GLY B 94 14.116 5.259 -1.532 1.00 43.48 C ATOM 2932 O GLY B 94 14.780 6.141 -2.084 1.00 42.94 O ATOM 2933 HA3 GLY B 94 12.599 5.239 -3.031 1.00 0.00 H ATOM 2934 HA2 GLY B 94 13.421 3.681 -2.786 1.00 0.00 H ATOM 2935 H GLY B 94 11.791 3.103 -1.231 1.00 0.00 H ATOM 2936 N CYS B 95 14.332 4.836 -0.288 1.00 43.92 N ATOM 2937 CA CYS B 95 15.360 5.412 0.575 1.00 44.01 C ATOM 2938 C CYS B 95 16.749 4.832 0.323 1.00 44.02 C ATOM 2939 O CYS B 95 16.940 3.613 0.279 1.00 44.60 O ATOM 2940 CB CYS B 95 14.975 5.246 2.046 1.00 45.05 C ATOM 2941 SG CYS B 95 16.006 6.169 3.184 1.00 45.39 S ATOM 2942 HA CYS B 95 15.415 6.472 0.328 1.00 0.00 H ATOM 2943 HB2 CYS B 95 15.046 4.189 2.301 1.00 0.00 H ATOM 2944 HB3 CYS B 95 13.945 5.580 2.170 1.00 0.00 H ATOM 2945 HG CYS B 95 15.574 5.949 4.476 1.00 0.00 H ATOM 2946 H CYS B 95 13.744 4.063 0.085 1.00 0.00 H ATOM 2947 N THR B 96 17.707 5.733 0.130 1.00 43.05 N ATOM 2948 CA THR B 96 19.107 5.377 -0.040 1.00 42.93 C ATOM 2949 C THR B 96 20.019 6.084 0.968 1.00 43.06 C ATOM 2950 O THR B 96 19.650 7.082 1.593 1.00 41.98 O ATOM 2951 CB THR B 96 19.604 5.732 -1.456 1.00 42.68 C ATOM 2952 OG1 THR B 96 19.318 7.107 -1.716 1.00 43.17 O ATOM 2953 CG2 THR B 96 18.941 4.880 -2.534 1.00 42.46 C ATOM 2954 HA THR B 96 19.159 4.301 0.125 1.00 0.00 H ATOM 2955 HB THR B 96 20.676 5.537 -1.489 1.00 0.00 H ATOM 2956 HG1 THR B 96 18.341 7.257 -1.656 1.00 0.00 H ATOM 2957 HG23 THR B 96 19.153 3.828 -2.345 1.00 0.00 H ATOM 2958 HG21 THR B 96 17.864 5.044 -2.514 1.00 0.00 H ATOM 2959 HG22 THR B 96 19.334 5.162 -3.511 1.00 0.00 H ATOM 2960 H THR B 96 17.443 6.739 0.099 1.00 0.00 H ATOM 2961 N LEU B 97 21.217 5.520 1.121 1.00 42.79 N ATOM 2962 CA LEU B 97 22.331 6.167 1.793 1.00 42.64 C ATOM 2963 C LEU B 97 23.241 6.721 0.714 1.00 42.67 C ATOM 2964 O LEU B 97 23.458 6.076 -0.314 1.00 42.10 O ATOM 2965 CB LEU B 97 23.167 5.177 2.604 1.00 42.52 C ATOM 2966 CG LEU B 97 22.651 4.742 3.964 1.00 42.86 C ATOM 2967 CD1 LEU B 97 23.408 3.497 4.409 1.00 43.59 C ATOM 2968 CD2 LEU B 97 22.809 5.890 4.956 1.00 45.08 C ATOM 2969 HA LEU B 97 21.934 6.927 2.465 1.00 0.00 H ATOM 2970 HB2 LEU B 97 23.279 4.278 1.999 1.00 0.00 H ATOM 2971 HB3 LEU B 97 24.145 5.633 2.760 1.00 0.00 H ATOM 2972 HG LEU B 97 21.591 4.492 3.911 1.00 0.00 H ATOM 2973 HD21 LEU B 97 23.863 6.158 5.034 1.00 0.00 H ATOM 2974 HD22 LEU B 97 22.238 6.751 4.607 1.00 0.00 H ATOM 2975 HD23 LEU B 97 22.439 5.578 5.933 1.00 0.00 H ATOM 2976 HD11 LEU B 97 23.250 2.699 3.684 1.00 0.00 H ATOM 2977 HD12 LEU B 97 24.472 3.725 4.475 1.00 0.00 H ATOM 2978 HD13 LEU B 97 23.041 3.180 5.385 1.00 0.00 H ATOM 2979 H LEU B 97 21.362 4.564 0.738 1.00 0.00 H ATOM 2980 N ASN B 98 23.788 7.901 0.964 1.00 42.42 N ATOM 2981 CA ASN B 98 24.529 8.611 -0.064 1.00 43.12 C ATOM 2982 C ASN B 98 25.743 9.298 0.533 1.00 42.94 C ATOM 2983 O ASN B 98 25.617 10.005 1.520 1.00 42.78 O ATOM 2984 CB ASN B 98 23.635 9.656 -0.740 1.00 43.05 C ATOM 2985 CG ASN B 98 22.468 9.041 -1.499 1.00 43.74 C ATOM 2986 OD1 ASN B 98 21.461 8.663 -0.906 1.00 46.36 O ATOM 2987 ND2 ASN B 98 22.585 8.961 -2.818 1.00 43.87 N ATOM 2988 HA ASN B 98 24.859 7.884 -0.806 1.00 0.00 H ATOM 2989 HB2 ASN B 98 23.239 10.322 0.026 1.00 0.00 H ATOM 2990 HB3 ASN B 98 24.241 10.230 -1.441 1.00 0.00 H ATOM 2991 HD22 ASN B 98 23.454 9.292 -3.284 1.00 0.00 H ATOM 2992 HD21 ASN B 98 21.808 8.568 -3.386 1.00 0.00 H ATOM 2993 H ASN B 98 23.686 8.325 1.908 1.00 0.00 H ATOM 2994 N PHE B 99 26.903 9.132 -0.082 1.00 43.78 N ATOM 2995 CA PHE B 99 28.062 9.944 0.285 1.00 44.83 C ATOM 2996 C PHE B 99 29.122 9.892 -0.816 1.00 45.13 C ATOM 2997 O PHE B 99 30.210 10.439 -0.639 1.00 44.02 O ATOM 2998 CB PHE B 99 28.663 9.509 1.629 1.00 46.05 C ATOM 2999 CG PHE B 99 29.104 8.074 1.666 1.00 47.46 C ATOM 3000 CD1 PHE B 99 28.232 7.077 2.077 1.00 49.45 C ATOM 3001 CD2 PHE B 99 30.400 7.720 1.329 1.00 48.65 C ATOM 3002 CE1 PHE B 99 28.631 5.753 2.119 1.00 49.10 C ATOM 3003 CE2 PHE B 99 30.811 6.397 1.367 1.00 49.06 C ATOM 3004 CZ PHE B 99 29.927 5.408 1.766 1.00 49.16 C ATOM 3005 HA PHE B 99 27.718 10.972 0.398 1.00 0.00 H ATOM 3006 OXT PHE B 99 28.901 9.299 -1.882 1.00 44.80 O ATOM 3007 HB2 PHE B 99 29.528 10.139 1.838 1.00 0.00 H ATOM 3008 HB3 PHE B 99 27.912 9.657 2.405 1.00 0.00 H ATOM 3009 HD2 PHE B 99 31.107 8.493 1.029 1.00 0.00 H ATOM 3010 HE2 PHE B 99 31.830 6.135 1.083 1.00 0.00 H ATOM 3011 HZ PHE B 99 30.247 4.367 1.802 1.00 0.00 H ATOM 3012 HE1 PHE B 99 27.927 4.981 2.430 1.00 0.00 H ATOM 3013 HD1 PHE B 99 27.216 7.341 2.372 1.00 0.00 H ATOM 3014 H PHE B 99 26.991 8.418 -0.833 1.00 0.00 H TER 3015 PHE B 99 HETATM 3016 O HOH 1 31.203 5.956 18.795 1.00 31.40 O HETATM 3017 O HOH 2 38.765 13.611 15.320 1.00 34.61 O HETATM 3018 O HOH 3 28.572 -6.534 28.177 1.00 32.95 O HETATM 3019 O HOH 4 32.262 12.597 15.196 1.00 33.56 O HETATM 3020 O HOH 5 40.982 8.520 8.782 1.00 34.19 O HETATM 3021 O HOH 6 30.757 -9.908 18.883 1.00 43.34 O HETATM 3022 O HOH 7 20.308 7.314 15.332 1.00 28.91 O HETATM 3023 O HOH 8 25.232 13.093 1.259 1.00 34.29 O HETATM 3024 O HOH 9 43.347 3.432 13.036 1.00 35.29 O HETATM 3025 O HOH 10 23.389 -0.445 -3.630 1.00 41.39 O HETATM 3026 O HOH 11 30.276 8.336 19.755 1.00 44.07 O HETATM 3027 O HOH 12 20.104 6.013 17.580 1.00 27.89 O HETATM 3028 O HOH 13 25.946 -8.328 22.982 1.00 48.70 O HETATM 3029 O HOH 14 33.203 -9.375 19.686 1.00 39.89 O HETATM 3030 O HOH 15 44.347 -0.455 24.271 1.00 43.18 O HETATM 3031 O HOH 16 20.405 -3.154 -1.868 1.00 36.35 O HETATM 3032 O HOH 17 48.705 1.065 22.397 1.00 39.84 O HETATM 3033 O HOH 18 17.708 13.816 -1.739 1.00 44.49 O HETATM 3034 O HOH 19 33.152 10.674 17.180 1.00 36.38 O HETATM 3035 O HOH 20 15.185 -7.068 0.919 1.00 47.46 O HETATM 3036 O HOH 21 27.220 15.437 7.225 1.00 46.50 O HETATM 3037 O HOH 22 31.585 11.417 19.455 1.00 43.59 O HETATM 3038 O HOH 23 34.948 -8.136 9.554 1.00 37.64 O HETATM 3039 O HOH 24 15.900 12.336 -2.570 1.00 37.33 O HETATM 3040 O HOH 25 22.659 -2.157 1.199 1.00 34.31 O HETATM 3041 O HOH 26 26.513 10.560 17.630 1.00 41.84 O HETATM 3042 O HOH 27 30.791 -7.811 28.768 1.00 48.86 O HETATM 3043 O HOH 28 19.351 -1.799 -5.806 1.00 41.38 O HETATM 3044 O HOH 29 32.459 -6.218 27.695 1.00 50.73 O HETATM 3045 O HOH 30 36.719 11.139 19.393 1.00 39.81 O HETATM 3046 O HOH 31 30.119 -9.085 7.121 1.00 51.88 O HETATM 3047 O HOH 32 25.691 -8.562 8.602 1.00 40.35 O HETATM 3048 O HOH 33 43.659 3.037 4.693 1.00 51.02 O HETATM 3049 O HOH 34 34.826 5.926 31.368 1.00 52.66 O HETATM 3050 O HOH 35 40.884 7.290 23.945 1.00 52.30 O HETATM 3051 O HOH 36 18.766 10.097 -5.299 1.00 44.18 O HETATM 3052 O HOH 37 42.653 -7.472 17.574 1.00 42.27 O HETATM 3053 O HOH 38 43.749 -2.872 27.072 1.00 51.07 O HETATM 3054 O HOH 39 43.660 -6.744 7.296 1.00 43.81 O HETATM 3055 O HOH 40 28.602 13.990 14.630 1.00 51.34 O HETATM 3056 O HOH 41 24.325 12.677 17.851 1.00 56.86 O HETATM 3057 O HOH 42 25.113 -6.813 2.329 1.00 48.29 O HETATM 3058 O HOH 43 47.098 -4.112 12.245 1.00 40.52 O HETATM 3059 O HOH 44 30.593 -7.471 11.356 1.00 47.71 O HETATM 3060 O HOH 45 27.476 -8.563 26.910 1.00 54.74 O HETATM 3061 O HOH 46 15.726 -2.166 26.054 1.00 58.81 O HETATM 3062 O HOH 47 33.020 -2.346 0.325 1.00 56.39 O HETATM 3063 O HOH 48 24.695 -7.861 27.937 1.00 55.58 O HETATM 3064 O HOH 49 31.437 -0.422 -0.729 1.00 66.13 O HETATM 3065 O HOH 50 20.201 -5.098 -3.970 1.00 52.56 O HETATM 3066 O HOH 51 31.417 15.815 6.846 1.00 48.25 O HETATM 3067 O HOH 52 34.350 -8.223 23.754 1.00 56.93 O HETATM 3068 O HOH 53 40.772 -8.763 21.372 1.00 60.37 O HETATM 3069 O HOH 54 33.560 0.054 0.859 1.00 50.00 O HETATM 3070 O HOH 55 17.712 -6.416 28.801 1.00 38.98 O HETATM 3071 O HOH 56 28.739 16.340 5.618 1.00 60.82 O HETATM 3072 O HOH 57 46.028 -3.679 1.731 1.00 58.18 O HETATM 3073 O HOH 58 25.185 4.658 29.057 1.00 58.89 O HETATM 3074 O HOH 59 30.017 13.148 18.436 1.00 48.41 O HETATM 3075 O HOH 60 36.000 12.312 5.128 1.00 49.99 O HETATM 3076 O HOH 61 21.770 -8.645 3.571 1.00 41.72 O HETATM 3077 O HOH 62 37.774 12.873 21.141 1.00 62.72 O HETATM 3078 O HOH 63 34.853 12.085 2.988 1.00 54.65 O HETATM 3079 O HOH 64 30.093 15.635 19.648 1.00 44.64 O HETATM 3080 O HOH 65 7.805 -6.254 4.999 1.00 32.04 O HETATM 3081 O HOH 66 20.673 16.186 11.477 1.00 32.31 O HETATM 3082 O HOH 67 9.402 -5.737 9.881 1.00 32.41 O HETATM 3083 O HOH 68 13.536 7.281 -4.273 1.00 32.18 O HETATM 3084 O HOH 69 3.803 -8.055 5.207 1.00 33.83 O HETATM 3085 O HOH 70 10.048 6.854 18.605 1.00 38.69 O HETATM 3086 O HOH 71 16.659 1.303 -0.919 1.00 29.55 O HETATM 3087 O HOH 72 20.525 -3.605 8.046 1.00 31.79 O HETATM 3088 O HOH 73 14.673 1.535 -2.785 1.00 39.96 O HETATM 3089 O HOH 74 24.875 13.815 7.739 1.00 30.39 O HETATM 3090 O HOH 75 7.479 -0.098 23.791 1.00 39.40 O HETATM 3091 O HOH 76 14.868 9.172 19.767 1.00 38.24 O HETATM 3092 O HOH 77 14.580 -6.978 5.738 1.00 44.91 O HETATM 3093 O HOH 78 13.125 -4.781 1.505 1.00 52.47 O HETATM 3094 O HOH 79 4.297 2.452 18.484 1.00 35.67 O HETATM 3095 O HOH 80 20.705 18.573 3.518 1.00 40.28 O HETATM 3096 O HOH 81 20.637 -5.239 10.183 1.00 31.62 O HETATM 3097 O HOH 82 18.767 18.184 4.934 1.00 40.76 O HETATM 3098 O HOH 83 3.244 10.300 6.875 1.00 44.50 O HETATM 3099 O HOH 84 11.129 -9.459 25.398 1.00 36.49 O HETATM 3100 O HOH 85 18.739 13.690 11.422 1.00 38.87 O HETATM 3101 O HOH 86 11.333 7.903 -2.976 1.00 44.68 O HETATM 3102 O HOH 87 12.071 8.587 19.381 1.00 42.66 O HETATM 3103 O HOH 88 8.781 -9.988 26.882 1.00 37.44 O HETATM 3104 O HOH 89 -8.258 5.976 8.386 1.00 37.56 O HETATM 3105 O HOH 90 3.805 2.027 24.091 1.00 44.07 O HETATM 3106 O HOH 91 16.985 7.584 -3.017 1.00 36.15 O HETATM 3107 O HOH 92 16.479 14.631 11.452 1.00 46.72 O HETATM 3108 O HOH 93 8.183 13.603 8.028 1.00 49.50 O HETATM 3109 O HOH 94 7.764 -13.651 20.871 1.00 54.99 O HETATM 3110 O HOH 95 -2.156 0.939 9.143 1.00 33.70 O HETATM 3111 O HOH 96 -2.870 -13.993 16.336 1.00 39.81 O HETATM 3112 O HOH 97 12.654 -11.882 26.274 1.00 60.52 O HETATM 3113 O HOH 98 18.812 16.880 7.776 1.00 40.30 O HETATM 3114 O HOH 99 19.464 13.152 18.415 1.00 44.85 O HETATM 3115 O HOH 100 4.008 12.295 16.171 1.00 60.60 O HETATM 3116 O HOH 101 -1.103 -15.871 13.668 1.00 51.47 O HETATM 3117 O HOH 102 -5.861 -10.002 10.801 1.00 48.85 O HETATM 3118 O HOH 103 12.643 12.817 20.388 1.00 59.06 O HETATM 3119 O HOH 104 5.768 8.724 18.710 1.00 40.23 O HETATM 3120 O HOH 105 -1.069 -5.612 24.065 1.00 44.96 O HETATM 3121 O HOH 106 5.355 -12.401 21.050 1.00 47.60 O HETATM 3122 O HOH 107 2.121 6.637 19.703 1.00 54.02 O HETATM 3123 O HOH 108 -6.287 3.278 15.544 1.00 54.75 O HETATM 3124 O HOH 109 26.147 14.382 15.628 1.00 47.71 O HETATM 3125 O HOH 110 4.928 5.926 19.441 1.00 41.23 O HETATM 3126 O HOH 111 24.778 9.951 -4.293 1.00 51.53 O HETATM 3127 O HOH 112 2.953 12.697 7.337 1.00 53.16 O HETATM 3128 O HOH 113 17.271 16.498 -1.960 1.00 57.25 O HETATM 3129 O HOH 114 9.561 14.695 12.636 1.00 55.30 O HETATM 3130 O HOH 115 -4.238 2.348 8.031 1.00 58.14 O HETATM 3131 O HOH 116 -2.688 4.904 7.697 1.00 53.69 O HETATM 3132 O HOH 117 5.865 4.944 -1.338 1.00 47.13 O HETATM 3133 O HOH 118 0.189 3.535 3.648 1.00 46.60 O HETATM 3134 O HOH 119 5.999 -8.600 23.047 1.00 49.28 O HETATM 3135 O HOH 120 9.163 6.350 25.185 1.00 54.12 O HETATM 3136 O HOH 121 16.193 -9.008 26.511 1.00 47.75 O HETATM 3137 O HOH 122 -0.780 -10.243 10.688 1.00 55.30 O HETATM 3138 O HOH 123 -2.519 12.494 8.653 1.00 62.60 O HETATM 3139 O HOH 124 9.760 -4.844 1.594 1.00 53.66 O HETATM 3140 O HOH 125 3.394 -9.225 23.108 1.00 48.67 O HETATM 3141 O HOH 126 -2.549 -5.880 19.883 1.00 48.86 O HETATM 3142 O HOH 127 -3.879 -8.000 17.543 1.00 43.73 O HETATM 3143 O HOH 128 2.150 3.341 21.183 1.00 48.80 O HETATM 3144 O HOH 129 15.345 11.525 20.136 1.00 42.46 O HETATM 3145 O HOH 130 6.773 12.757 14.537 1.00 41.72 O HETATM 3146 O HOH 131 17.498 -8.673 3.894 1.00 55.01 O HETATM 3147 O HOH 132 10.608 -7.520 8.049 1.00 49.44 O HETATM 3148 O HOH 133 6.082 -17.559 14.891 1.00 46.91 O HETATM 3149 O HOH 134 20.058 -2.850 19.229 1.00 34.36 O HETATM 3150 O HOH 135 22.831 -10.414 14.979 1.00 42.95 O HETATM 3151 O HOH 136 20.357 -14.336 14.799 1.00 43.52 O HETATM 3152 O HOH 137 15.552 5.370 25.596 1.00 58.02 O HETATM 3153 N ALA A 138 24.517 6.236 25.369 1.00 0.24 N HETATM 3154 CA ALA A 138 24.014 6.359 23.965 1.00 0.06 C HETATM 3155 C ALA A 138 23.525 5.013 23.443 1.00 0.23 C HETATM 3156 O ALA A 138 23.677 3.975 24.103 1.00 -0.39 O HETATM 3157 N ALA A 138 22.901 5.048 22.270 1.00 -0.26 N HETATM 3158 CA ALA A 138 22.081 3.927 21.842 1.00 0.13 C HETATM 3159 C ALA A 138 22.322 3.503 20.400 1.00 0.20 C HETATM 3160 O ALA A 138 22.527 4.310 19.493 1.00 -0.39 O HETATM 3161 N ALA A 138 22.319 2.187 20.242 1.00 -0.26 N HETATM 3162 CA ALA A 138 22.608 1.541 18.987 1.00 0.13 C HETATM 3163 C ALA A 138 21.483 0.562 18.672 1.00 0.20 C HETATM 3164 O ALA A 138 21.447 -0.542 19.209 1.00 -0.39 O HETATM 3165 N ALA A 138 20.572 0.994 17.803 1.00 -0.26 N HETATM 3166 CA ALA A 138 19.391 0.212 17.462 1.00 0.14 C HETATM 3167 C ALA A 138 19.566 -0.685 16.224 1.00 0.21 C HETATM 3168 O ALA A 138 18.776 -0.686 15.275 1.00 -0.39 O HETATM 3169 N ALA A 138 20.637 -1.469 16.246 1.00 -0.26 N HETATM 3170 CA ALA A 138 20.718 -2.647 15.382 1.00 0.14 C HETATM 3171 C ALA A 138 19.531 -3.599 15.604 1.00 0.21 C HETATM 3172 O ALA A 138 19.116 -3.864 16.734 1.00 -0.39 O HETATM 3173 N ALA A 138 18.979 -4.108 14.511 1.00 -0.26 N HETATM 3174 CA ALA A 138 17.927 -5.117 14.577 1.00 0.13 C HETATM 3175 C ALA A 138 18.204 -6.250 13.581 1.00 0.20 C HETATM 3176 O ALA A 138 18.283 -6.076 12.368 1.00 -0.39 O HETATM 3177 N ALA A 138 18.357 -7.432 14.160 1.00 -0.26 N HETATM 3178 CA ALA A 138 18.621 -8.676 13.450 1.00 0.14 C HETATM 3179 C ALA A 138 17.287 -9.403 13.293 1.00 0.21 C HETATM 3180 O ALA A 138 16.736 -9.942 14.251 1.00 -0.39 O HETATM 3181 N ALA A 138 16.792 -9.453 12.066 1.00 -0.27 N HETATM 3182 CA ALA A 138 15.497 -10.058 11.784 1.00 0.12 C HETATM 3183 C ALA A 138 15.378 -11.568 11.869 1.00 0.20 C HETATM 3184 O ALA A 138 14.279 -12.086 11.673 1.00 -0.39 O HETATM 3185 N ALA A 138 16.462 -12.290 12.152 1.00 -0.27 N HETATM 3186 CA ALA A 138 16.363 -13.741 12.346 1.00 0.09 C HETATM 3187 C ALA A 138 15.572 -14.031 13.619 1.00 0.06 C HETATM 3188 O ALA A 138 15.705 -13.326 14.632 1.00 -0.57 O HETATM 3189 OXT ALA A 138 14.760 -14.956 13.626 1.00 -0.57 O HETATM 3190 CB ALA A 138 17.737 -14.389 12.418 1.00 -0.03 C HETATM 3191 H59 ALA A 138 17.624 -15.473 12.563 1.00 0.03 H HETATM 3192 H60 ALA A 138 18.300 -13.963 13.262 1.00 0.03 H HETATM 3193 H61 ALA A 138 18.281 -14.200 11.481 1.00 0.03 H HETATM 3194 H58 ALA A 138 15.823 -14.171 11.490 1.00 0.07 H HETATM 3195 H57 ALA A 138 17.351 -11.839 12.233 1.00 0.19 H HETATM 3196 H55 ALA A 138 15.216 -9.766 10.761 1.00 0.08 H HETATM 3197 H56 ALA A 138 14.776 -9.633 12.498 1.00 0.08 H HETATM 3198 H54 ALA A 138 17.322 -9.065 11.312 1.00 0.19 H HETATM 3199 CB ALA A 138 19.575 -9.514 14.310 1.00 0.04 C HETATM 3200 CG ALA A 138 19.753 -10.934 13.811 1.00 0.04 C HETATM 3201 OD1 ALA A 138 19.142 -11.307 12.785 1.00 -0.57 O HETATM 3202 OD2 ALA A 138 20.508 -11.675 14.480 1.00 -0.57 O HETATM 3203 H52 ALA A 138 19.176 -9.553 15.335 1.00 0.05 H HETATM 3204 H53 ALA A 138 20.559 -9.022 14.318 1.00 0.05 H HETATM 3205 H51 ALA A 138 19.069 -8.478 12.465 1.00 0.08 H HETATM 3206 H50 ALA A 138 18.286 -7.473 15.157 1.00 0.19 H HETATM 3207 CB ALA A 138 16.526 -4.515 14.367 1.00 -0.01 C HETATM 3208 CG1 ALA A 138 15.459 -5.597 14.339 1.00 -0.06 C HETATM 3209 H44 ALA A 138 14.472 -5.135 14.188 1.00 0.02 H HETATM 3210 H45 ALA A 138 15.466 -6.143 15.294 1.00 0.02 H HETATM 3211 H46 ALA A 138 15.667 -6.296 13.515 1.00 0.02 H HETATM 3212 CG2 ALA A 138 16.221 -3.498 15.462 1.00 -0.06 C HETATM 3213 H47 ALA A 138 17.001 -2.722 15.470 1.00 0.02 H HETATM 3214 H48 ALA A 138 16.199 -4.005 16.438 1.00 0.02 H HETATM 3215 H49 ALA A 138 15.243 -3.033 15.268 1.00 0.02 H HETATM 3216 H43 ALA A 138 16.515 -3.996 13.397 1.00 0.03 H HETATM 3217 H42 ALA A 138 17.948 -5.550 15.588 1.00 0.08 H HETATM 3218 H41 ALA A 138 19.293 -3.791 13.616 1.00 0.19 H HETATM 3219 CB ALA A 138 22.054 -3.347 15.628 1.00 0.02 C HETATM 3220 CG ALA A 138 22.204 -4.707 15.000 1.00 -0.05 C HETATM 3221 CD1 ALA A 138 22.330 -4.861 13.618 1.00 -0.07 C HETATM 3222 CE1 ALA A 138 22.469 -6.121 13.045 1.00 -0.04 C HETATM 3223 CZ ALA A 138 22.515 -7.235 13.866 1.00 0.08 C HETATM 3224 CE2 ALA A 138 22.407 -7.095 15.229 1.00 -0.04 C HETATM 3225 CD2 ALA A 138 22.254 -5.842 15.794 1.00 -0.07 C HETATM 3226 H37 ALA A 138 22.172 -5.746 16.871 1.00 0.05 H HETATM 3227 H39 ALA A 138 22.442 -7.972 15.865 1.00 0.05 H HETATM 3228 OH ALA A 138 22.654 -8.511 13.355 1.00 -0.34 O HETATM 3229 H40 ALA A 138 23.442 -8.908 13.708 1.00 0.25 H HETATM 3230 H38 ALA A 138 22.540 -6.229 11.969 1.00 0.05 H HETATM 3231 H36 ALA A 138 22.319 -3.984 12.981 1.00 0.05 H HETATM 3232 H34 ALA A 138 22.181 -3.461 16.715 1.00 0.05 H HETATM 3233 H35 ALA A 138 22.852 -2.702 15.231 1.00 0.05 H HETATM 3234 H33 ALA A 138 20.689 -2.312 14.335 1.00 0.08 H HETATM 3235 H32 ALA A 138 21.396 -1.252 16.860 1.00 0.19 H HETATM 3236 CB ALA A 138 18.185 1.140 17.374 1.00 0.02 C HETATM 3237 CG ALA A 138 17.879 1.848 18.671 1.00 -0.04 C HETATM 3238 CD1 ALA A 138 17.969 3.234 18.770 1.00 -0.06 C HETATM 3239 CE1 ALA A 138 17.703 3.882 19.982 1.00 -0.07 C HETATM 3240 CZ ALA A 138 17.306 3.145 21.092 1.00 -0.07 C HETATM 3241 CE2 ALA A 138 17.218 1.765 20.993 1.00 -0.07 C HETATM 3242 CD2 ALA A 138 17.502 1.126 19.793 1.00 -0.06 C HETATM 3243 H28 ALA A 138 17.428 0.046 19.733 1.00 0.06 H HETATM 3244 H30 ALA A 138 16.926 1.181 21.858 1.00 0.06 H HETATM 3245 H31 ALA A 138 17.068 3.644 22.024 1.00 0.06 H HETATM 3246 H29 ALA A 138 17.807 4.959 20.055 1.00 0.06 H HETATM 3247 H27 ALA A 138 18.248 3.817 17.900 1.00 0.06 H HETATM 3248 H25 ALA A 138 17.306 0.544 17.086 1.00 0.05 H HETATM 3249 H26 ALA A 138 18.383 1.897 16.601 1.00 0.05 H HETATM 3250 H24 ALA A 138 19.208 -0.470 18.305 1.00 0.08 H HETATM 3251 H23 ALA A 138 20.703 1.886 17.369 1.00 0.19 H HETATM 3252 CB ALA A 138 23.949 0.829 19.074 1.00 -0.01 C HETATM 3253 CG1 ALA A 138 24.203 -0.011 17.818 1.00 -0.06 C HETATM 3254 H17 ALA A 138 25.177 -0.515 17.905 1.00 0.02 H HETATM 3255 H18 ALA A 138 24.206 0.643 16.934 1.00 0.02 H HETATM 3256 H19 ALA A 138 23.408 -0.764 17.714 1.00 0.02 H HETATM 3257 CG2 ALA A 138 25.049 1.849 19.347 1.00 -0.06 C HETATM 3258 H20 ALA A 138 24.806 2.416 20.258 1.00 0.02 H HETATM 3259 H21 ALA A 138 25.127 2.541 18.495 1.00 0.02 H HETATM 3260 H22 ALA A 138 26.007 1.327 19.485 1.00 0.02 H HETATM 3261 H16 ALA A 138 23.915 0.139 19.930 1.00 0.03 H HETATM 3262 H15 ALA A 138 22.659 2.298 18.191 1.00 0.08 H HETATM 3263 H14 ALA A 138 22.105 1.614 21.033 1.00 0.19 H HETATM 3264 CB ALA A 138 20.606 4.216 22.106 1.00 -0.00 C HETATM 3265 CG ALA A 138 20.259 4.140 23.584 1.00 0.00 C HETATM 3266 CD ALA A 138 18.818 4.514 23.897 1.00 0.04 C HETATM 3267 OE1 ALA A 138 18.355 5.579 23.430 1.00 -0.57 O HETATM 3268 OE2 ALA A 138 18.153 3.737 24.621 1.00 -0.57 O HETATM 3269 H12 ALA A 138 20.922 4.826 24.131 1.00 0.04 H HETATM 3270 H13 ALA A 138 20.432 3.110 23.928 1.00 0.04 H HETATM 3271 H10 ALA A 138 19.998 3.478 21.561 1.00 0.03 H HETATM 3272 H11 ALA A 138 20.372 5.226 21.739 1.00 0.03 H HETATM 3273 H9 ALA A 138 22.362 3.070 22.471 1.00 0.08 H HETATM 3274 H8 ALA A 138 22.996 5.849 21.679 1.00 0.19 H HETATM 3275 CB ALA A 138 25.077 6.920 23.063 1.00 -0.00 C HETATM 3276 H5 ALA A 138 24.684 7.001 22.039 1.00 0.03 H HETATM 3277 H6 ALA A 138 25.952 6.253 23.068 1.00 0.03 H HETATM 3278 H7 ALA A 138 25.373 7.917 23.421 1.00 0.03 H HETATM 3279 H4 ALA A 138 23.163 7.056 23.967 1.00 0.11 H HETATM 3280 H1 ALA A 138 24.834 7.136 25.692 1.00 0.20 H HETATM 3281 H2 ALA A 138 25.282 5.581 25.395 1.00 0.20 H HETATM 3282 H3 ALA A 138 23.773 5.908 25.965 1.00 0.20 H CONECT 3153 3154 3280 3281 3282 CONECT 3154 3153 3155 3275 3279 CONECT 3155 3154 3156 3157 CONECT 3156 3155 CONECT 3157 3155 3158 3274 CONECT 3158 3157 3159 3264 3273 CONECT 3159 3158 3160 3161 CONECT 3160 3159 CONECT 3161 3159 3162 3263 CONECT 3162 3161 3163 3252 3262 CONECT 3163 3162 3164 3165 CONECT 3164 3163 CONECT 3165 3163 3166 3251 CONECT 3166 3165 3167 3236 3250 CONECT 3167 3166 3168 3169 CONECT 3168 3167 CONECT 3169 3167 3170 3235 CONECT 3170 3169 3171 3219 3234 CONECT 3171 3170 3172 3173 CONECT 3172 3171 CONECT 3173 3171 3174 3218 CONECT 3174 3173 3175 3207 3217 CONECT 3175 3174 3176 3177 CONECT 3176 3175 CONECT 3177 3175 3178 3206 CONECT 3178 3177 3179 3199 3205 CONECT 3179 3178 3180 3181 CONECT 3180 3179 CONECT 3181 3179 3182 3198 CONECT 3182 3181 3183 3196 3197 CONECT 3183 3182 3184 3185 CONECT 3184 3183 CONECT 3185 3183 3186 3195 CONECT 3186 3185 3187 3190 3194 CONECT 3187 3186 3188 3189 CONECT 3188 3187 CONECT 3189 3187 CONECT 3190 3186 3191 3192 3193 CONECT 3191 3190 CONECT 3192 3190 CONECT 3193 3190 CONECT 3194 3186 CONECT 3195 3185 CONECT 3196 3182 CONECT 3197 3182 CONECT 3198 3181 CONECT 3199 3178 3200 3203 3204 CONECT 3200 3199 3201 3202 CONECT 3201 3200 CONECT 3202 3200 CONECT 3203 3199 CONECT 3204 3199 CONECT 3205 3178 CONECT 3206 3177 CONECT 3207 3174 3208 3212 3216 CONECT 3208 3207 3209 3210 3211 CONECT 3209 3208 CONECT 3210 3208 CONECT 3211 3208 CONECT 3212 3207 3213 3214 3215 CONECT 3213 3212 CONECT 3214 3212 CONECT 3215 3212 CONECT 3216 3207 CONECT 3217 3174 CONECT 3218 3173 CONECT 3219 3170 3220 3232 3233 CONECT 3220 3219 3221 3225 CONECT 3221 3220 3222 3231 CONECT 3222 3221 3223 3230 CONECT 3223 3222 3224 3228 CONECT 3224 3223 3225 3227 CONECT 3225 3220 3224 3226 CONECT 3226 3225 CONECT 3227 3224 CONECT 3228 3223 3229 CONECT 3229 3228 CONECT 3230 3222 CONECT 3231 3221 CONECT 3232 3219 CONECT 3233 3219 CONECT 3234 3170 CONECT 3235 3169 CONECT 3236 3166 3237 3248 3249 CONECT 3237 3236 3238 3242 CONECT 3238 3237 3239 3247 CONECT 3239 3238 3240 3246 CONECT 3240 3239 3241 3245 CONECT 3241 3240 3242 3244 CONECT 3242 3237 3241 3243 CONECT 3243 3242 CONECT 3244 3241 CONECT 3245 3240 CONECT 3246 3239 CONECT 3247 3238 CONECT 3248 3236 CONECT 3249 3236 CONECT 3250 3166 CONECT 3251 3165 CONECT 3252 3162 3253 3257 3261 CONECT 3253 3252 3254 3255 3256 CONECT 3254 3253 CONECT 3255 3253 CONECT 3256 3253 CONECT 3257 3252 3258 3259 3260 CONECT 3258 3257 CONECT 3259 3257 CONECT 3260 3257 CONECT 3261 3252 CONECT 3262 3162 CONECT 3263 3161 CONECT 3264 3158 3265 3271 3272 CONECT 3265 3264 3266 3269 3270 CONECT 3266 3265 3267 3268 CONECT 3267 3266 CONECT 3268 3266 CONECT 3269 3265 CONECT 3270 3265 CONECT 3271 3264 CONECT 3272 3264 CONECT 3273 3158 CONECT 3274 3157 CONECT 3275 3154 3276 3277 3278 CONECT 3276 3275 CONECT 3277 3275 CONECT 3278 3275 CONECT 3279 3154 CONECT 3280 3153 CONECT 3281 3153 CONECT 3282 3153 MASTER 0 0 0 0 0 0 0 0 3280 2 130 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 2nxl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a94
RCSB PDB
PDBbind
99aa, >1A94_1|Chains... at 90%
1aid
RCSB PDB
PDBbind
99aa, >1AID_1|Chains... at 91%
1b6j
RCSB PDB
PDBbind
99aa, >1B6J_1|Chains... at 93%
1b6k
RCSB PDB
PDBbind
99aa, >1B6K_1|Chains... at 95%
1b6l
RCSB PDB
PDBbind
99aa, >1B6L_1|Chains... at 95%
1b6m
RCSB PDB
PDBbind
99aa, >1B6M_1|Chains... at 95%
1b6p
RCSB PDB
PDBbind
99aa, >1B6P_1|Chains... at 95%
1cpi
RCSB PDB
PDBbind
99aa, >1CPI_1|Chains... at 93%
1d4k
RCSB PDB
PDBbind
99aa, >1D4K_1|Chains... at 95%
1d4l
RCSB PDB
PDBbind
99aa, >1D4L_1|Chains... at 95%
1kzk
RCSB PDB
PDBbind
99aa, >1KZK_1|Chains... at 92%
1mtr
RCSB PDB
PDBbind
99aa, >1MTR_1|Chains... at 95%
1sdt
RCSB PDB
PDBbind
99aa, >1SDT_1|Chains... at 91%
1sdu
RCSB PDB
PDBbind
99aa, >1SDU_1|Chains... at 90%
1sdv
RCSB PDB
PDBbind
99aa, >1SDV_1|Chains... at 90%
1z1h
RCSB PDB
PDBbind
99aa, >1Z1H_1|Chains... at 95%
1z1r
RCSB PDB
PDBbind
99aa, >1Z1R_1|Chains... at 95%
2aoc
RCSB PDB
PDBbind
99aa, >2AOC_1|Chains... at 90%
2aod
RCSB PDB
PDBbind
99aa, >2AOD_1|Chains... at 91%
2aoe
RCSB PDB
PDBbind
99aa, >2AOE_1|Chains... at 90%
2aog
RCSB PDB
PDBbind
99aa, >2AOG_1|Chains... at 90%
2aoh
RCSB PDB
PDBbind
99aa, >2AOH_1|Chains... at 90%
2avm
RCSB PDB
PDBbind
99aa, >2AVM_1|Chains... at 90%
2avo
RCSB PDB
PDBbind
99aa, >2AVO_1|Chains... at 90%
2avq
RCSB PDB
PDBbind
99aa, >2AVQ_1|Chains... at 90%
2avs
RCSB PDB
PDBbind
99aa, >2AVS_1|Chains... at 90%
2avv
RCSB PDB
PDBbind
99aa, >2AVV_1|Chains... at 90%
2f3k
RCSB PDB
PDBbind
99aa, >2F3K_1|Chains... at 91%
2f80
RCSB PDB
PDBbind
99aa, >2F80_1|Chains... at 90%
2f81
RCSB PDB
PDBbind
99aa, >2F81_1|Chains... at 90%
2f8g
RCSB PDB
PDBbind
99aa, >2F8G_1|Chains... at 90%
2fgu
RCSB PDB
PDBbind
99aa, >2FGU_1|Chains... at 91%
2fgv
RCSB PDB
PDBbind
99aa, >2FGV_1|Chains... at 91%
2hb3
RCSB PDB
PDBbind
99aa, >2HB3_1|Chains... at 91%
2hs1
RCSB PDB
PDBbind
99aa, >2HS1_1|Chains... at 90%
2hs2
RCSB PDB
PDBbind
99aa, >2HS2_1|Chains... at 92%
2i0a
RCSB PDB
PDBbind
99aa, >2I0A_1|Chains... at 91%
2i0d
RCSB PDB
PDBbind
99aa, >2I0D_1|Chains... at 91%
2idw
RCSB PDB
PDBbind
99aa, >2IDW_1|Chains... at 90%
2ien
RCSB PDB
PDBbind
99aa, >2IEN_1|Chains... at 91%
2ieo
RCSB PDB
PDBbind
99aa, >2IEO_1|Chains... at 90%
2nmy
RCSB PDB
PDBbind
99aa, >2NMY_1|Chains... at 90%
2nmz
RCSB PDB
PDBbind
99aa, >2NMZ_1|Chains... at 90%
2nnk
RCSB PDB
PDBbind
99aa, >2NNK_1|Chains... at 90%
2nnp
RCSB PDB
PDBbind
99aa, >2NNP_1|Chains... at 90%
2nxd
RCSB PDB
PDBbind
99aa, >2NXD_1|Chains... at 90%
2nxm
RCSB PDB
PDBbind
99aa, >2NXM_1|Chains... at 90%
2psu
RCSB PDB
PDBbind
99aa, >2PSU_1|Chains... at 91%
2psv
RCSB PDB
PDBbind
99aa, >2PSV_1|Chains... at 91%
2q54
RCSB PDB
PDBbind
99aa, >2Q54_1|Chains... at 91%
2q55
RCSB PDB
PDBbind
99aa, >2Q55_1|Chains... at 91%
2q5k
RCSB PDB
PDBbind
99aa, >2Q5K_1|Chains... at 91%
2qci
RCSB PDB
PDBbind
99aa, >2QCI_1|Chains... at 90%
2qd6
RCSB PDB
PDBbind
99aa, >2QD6_1|Chains... at 90%
2qd7
RCSB PDB
PDBbind
99aa, >2QD7_1|Chains... at 90%
2qd8
RCSB PDB
PDBbind
99aa, >2QD8_1|Chains... at 90%
2qhy
RCSB PDB
PDBbind
99aa, >2QHY_1|Chains... at 91%
2qhz
RCSB PDB
PDBbind
99aa, >2QHZ_1|Chains... at 91%
2qi0
RCSB PDB
PDBbind
99aa, >2QI0_1|Chains... at 91%
2qi1
RCSB PDB
PDBbind
99aa, >2QI1_1|Chains... at 91%
2qi3
RCSB PDB
PDBbind
99aa, >2QI3_1|Chains... at 91%
2qi4
RCSB PDB
PDBbind
99aa, >2QI4_1|Chains... at 91%
2qi5
RCSB PDB
PDBbind
99aa, >2QI5_1|Chains... at 91%
2qi6
RCSB PDB
PDBbind
99aa, >2QI6_1|Chains... at 91%
2qi7
RCSB PDB
PDBbind
99aa, >2QI7_1|Chains... at 91%
2z4o
RCSB PDB
PDBbind
99aa, >2Z4O_1|Chains... at 91%
3a2o
RCSB PDB
PDBbind
99aa, >3A2O_1|Chains... at 91%
3aid
RCSB PDB
PDBbind
99aa, >3AID_1|Chains... at 92%
3bva
RCSB PDB
PDBbind
99aa, >3BVA_1|Chains... at 90%
3bvb
RCSB PDB
PDBbind
99aa, >3BVB_1|Chains... at 90%
3bxs
RCSB PDB
PDBbind
99aa, >3BXS_1|Chains... at 95%
3cyw
RCSB PDB
PDBbind
99aa, >3CYW_1|Chains... at 90%
3cyx
RCSB PDB
PDBbind
99aa, >3CYX_1|Chains... at 90%
3d1x
RCSB PDB
PDBbind
99aa, >3D1X_1|Chains... at 90%
3d1y
RCSB PDB
PDBbind
99aa, >3D1Y_1|Chains... at 90%
3d1z
RCSB PDB
PDBbind
99aa, >3D1Z_1|Chains... at 90%
3d20
RCSB PDB
PDBbind
99aa, >3D20_1|Chains... at 90%
3dcr
RCSB PDB
PDBbind
99aa, >3DCR_1|Chains... at 98%
3djk
RCSB PDB
PDBbind
99aa, >3DJK_1|Chains... at 91%
3dk1
RCSB PDB
PDBbind
99aa, >3DK1_1|Chains... at 91%
3ekv
RCSB PDB
PDBbind
99aa, >3EKV_1|Chains... at 91%
3ekx
RCSB PDB
PDBbind
99aa, >3EKX_1|Chains... at 91%
3eky
RCSB PDB
PDBbind
99aa, >3EKY_1|Chains... at 91%
3el1
RCSB PDB
PDBbind
99aa, >3EL1_1|Chains... at 92%
3el9
RCSB PDB
PDBbind
99aa, >3EL9_1|Chains... at 90%
3fsm
RCSB PDB
PDBbind
203aa, >3FSM_1|Chain... *
3gi4
RCSB PDB
PDBbind
99aa, >3GI4_1|Chains... at 91%
3gi5
RCSB PDB
PDBbind
99aa, >3GI5_1|Chains... at 91%
3gi6
RCSB PDB
PDBbind
99aa, >3GI6_1|Chains... at 91%
3h5b
RCSB PDB
PDBbind
99aa, >3H5B_1|Chains... at 91%
3hau
RCSB PDB
PDBbind
99aa, >3HAU_1|Chains... at 98%
3haw
RCSB PDB
PDBbind
99aa, >3HAW_1|Chains... at 100%
3hbo
RCSB PDB
PDBbind
99aa, >3HBO_1|Chains... at 100%
3hdk
RCSB PDB
PDBbind
99aa, >3HDK_1|Chains... at 100%
3hlo
RCSB PDB
PDBbind
203aa, >3HLO_1|Chain... at 99%
3i6o
RCSB PDB
PDBbind
99aa, >3I6O_1|Chains... at 91%
3i7e
RCSB PDB
PDBbind
99aa, >3I7E_1|Chains... at 92%
3iaw
RCSB PDB
PDBbind
203aa, >3IAW_1|Chain... at 99%
3ka2
RCSB PDB
PDBbind
203aa, >3KA2_1|Chain... at 99%
3lzv
RCSB PDB
PDBbind
99aa, >3LZV_1|Chains... at 90%
3mxd
RCSB PDB
PDBbind
99aa, >3MXD_1|Chains... at 91%
3mxe
RCSB PDB
PDBbind
99aa, >3MXE_1|Chains... at 91%
3nu3
RCSB PDB
PDBbind
99aa, >3NU3_1|Chains... at 91%
3nu4
RCSB PDB
PDBbind
99aa, >3NU4_1|Chains... at 90%
3nu5
RCSB PDB
PDBbind
99aa, >3NU5_1|Chains... at 90%
3nu6
RCSB PDB
PDBbind
99aa, >3NU6_1|Chains... at 90%
3nu9
RCSB PDB
PDBbind
99aa, >3NU9_1|Chains... at 90%
3nuj
RCSB PDB
PDBbind
99aa, >3NUJ_1|Chains... at 90%
3nuo
RCSB PDB
PDBbind
99aa, >3NUO_1|Chains... at 90%
3o99
RCSB PDB
PDBbind
99aa, >3O99_1|Chains... at 91%
3o9a
RCSB PDB
PDBbind
99aa, >3O9A_1|Chains... at 91%
3o9b
RCSB PDB
PDBbind
99aa, >3O9B_1|Chains... at 91%
3o9c
RCSB PDB
PDBbind
99aa, >3O9C_1|Chains... at 91%
3o9d
RCSB PDB
PDBbind
99aa, >3O9D_1|Chains... at 91%
3o9e
RCSB PDB
PDBbind
99aa, >3O9E_1|Chains... at 91%
3o9f
RCSB PDB
PDBbind
99aa, >3O9F_1|Chains... at 91%
3o9g
RCSB PDB
PDBbind
99aa, >3O9G_1|Chains... at 91%
3o9h
RCSB PDB
PDBbind
99aa, >3O9H_1|Chains... at 91%
3o9i
RCSB PDB
PDBbind
99aa, >3O9I_1|Chains... at 91%
3ok9
RCSB PDB
PDBbind
99aa, >3OK9_1|Chains... at 91%
3oxc
RCSB PDB
PDBbind
99aa, >3OXC_1|Chains... at 91%
3pwm
RCSB PDB
PDBbind
99aa, >3PWM_1|Chains... at 90%
3qaa
RCSB PDB
PDBbind
99aa, >3QAA_1|Chains... at 91%
3st5
RCSB PDB
PDBbind
99aa, >3ST5_1|Chains... at 91%
3vf5
RCSB PDB
PDBbind
99aa, >3VF5_1|Chains... at 90%
3vf7
RCSB PDB
PDBbind
99aa, >3VF7_1|Chains... at 90%
3vfa
RCSB PDB
PDBbind
99aa, >3VFA_1|Chains... at 90%
3vfb
RCSB PDB
PDBbind
99aa, >3VFB_1|Chains... at 90%
4dfg
RCSB PDB
PDBbind
99aa, >4DFG_1|Chains... at 91%
4djo
RCSB PDB
PDBbind
99aa, >4DJO_1|Chains... at 91%
4djp
RCSB PDB
PDBbind
99aa, >4DJP_1|Chains... at 91%
4djq
RCSB PDB
PDBbind
99aa, >4DJQ_1|Chains... at 91%
4djr
RCSB PDB
PDBbind
99aa, >4DJR_1|Chains... at 91%
4ej8
RCSB PDB
PDBbind
99aa, >4EJ8_1|Chains... at 92%
4ejl
RCSB PDB
PDBbind
99aa, >4EJL_1|Chains... at 92%
4ep2
RCSB PDB
PDBbind
203aa, >4EP2_1|Chain... at 90%
4hdb
RCSB PDB
PDBbind
99aa, >4HDB_1|Chains... at 90%
4hdf
RCSB PDB
PDBbind
99aa, >4HDF_1|Chains... at 90%
4hdp
RCSB PDB
PDBbind
99aa, >4HDP_1|Chains... at 90%
4he9
RCSB PDB
PDBbind
99aa, >4HE9_1|Chains... at 90%
4heg
RCSB PDB
PDBbind
99aa, >4HEG_1|Chains... at 90%
4kb9
RCSB PDB
PDBbind
99aa, >4KB9_1|Chains... at 91%
4q1w
RCSB PDB
PDBbind
99aa, >4Q1W_1|Chains... at 90%
4q1x
RCSB PDB
PDBbind
99aa, >4Q1X_1|Chains... at 90%
4q1y
RCSB PDB
PDBbind
99aa, >4Q1Y_1|Chains... at 90%
4u8w
RCSB PDB
PDBbind
99aa, >4U8W_1|Chains... at 91%
4zip
RCSB PDB
PDBbind
99aa, >4ZIP_1|Chains... at 91%
4zls
RCSB PDB
PDBbind
99aa, >4ZLS_1|Chains... at 91%
5bry
RCSB PDB
PDBbind
99aa, >5BRY_1|Chains... at 91%
5bs4
RCSB PDB
PDBbind
99aa, >5BS4_1|Chains... at 91%
5dgu
RCSB PDB
PDBbind
99aa, >5DGU_1|Chains... at 91%
5dgw
RCSB PDB
PDBbind
99aa, >5DGW_1|Chains... at 91%
5jfp
RCSB PDB
PDBbind
99aa, >5JFP_1|Chains... at 91%
5jfu
RCSB PDB
PDBbind
99aa, >5JFU_1|Chains... at 91%
5jg1
RCSB PDB
PDBbind
99aa, >5JG1_1|Chains... at 91%
5ult
RCSB PDB
PDBbind
99aa, >5ULT_1|Chains... at 91%
5uov
RCSB PDB
PDBbind
99aa, >5UOV_1|Chains... at 91%
5upz
RCSB PDB
PDBbind
99aa, >5UPZ_1|Chains... at 91%
5wlo
RCSB PDB
PDBbind
99aa, >5WLO_1|Chains... at 91%
6b4n
RCSB PDB
PDBbind
99aa, >6B4N_1|Chains... at 91%
6c8x
RCSB PDB
PDBbind
99aa, >6C8X_1|Chains... at 91%
6cdj
RCSB PDB
PDBbind
99aa, >6CDJ_1|Chains... at 91%
6cdl
RCSB PDB
PDBbind
99aa, >6CDL_1|Chains... at 91%
6dif
RCSB PDB
PDBbind
99aa, >6DIF_1|Chains... at 91%
6dil
RCSB PDB
PDBbind
99aa, >6DIL_1|Chains... at 90%
6dj1
RCSB PDB
PDBbind
99aa, >6DJ1_1|Chains... at 91%
6dj2
RCSB PDB
PDBbind
99aa, >6DJ2_1|Chains... at 90%
6dj5
RCSB PDB
PDBbind
99aa, >6DJ5_1|Chains... at 90%
6dj7
RCSB PDB
PDBbind
99aa, >6DJ7_1|Chains... at 90%
6e7j
RCSB PDB
PDBbind
99aa, >6E7J_1|Chains... at 91%
6e9a
RCSB PDB
PDBbind
99aa, >6E9A_1|Chains... at 91%
7hvp
RCSB PDB
PDBbind
99aa, >7HVP_1|Chains... at 93%
8hvp
RCSB PDB
PDBbind
99aa, >8HVP_1|Chains... at 93%
6o48
RCSB PDB
PDBbind
99aa, >6O48_1|Chains... at 91%
6ixd
RCSB PDB
PDBbind
99aa, >6IXD_1|Chains... at 91%
6u7o
RCSB PDB
PDBbind
99aa, >6U7O_1|Chains... at 91%
6u7p
RCSB PDB
PDBbind
99aa, >6U7P_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2nxl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 protease
Ligand Name
10-mer
EC.Number
E.C.3.4.23.16
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.54uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Proteins Vol. 70: pp. 678-694
Ligand Properties
Formula
C
4
5
H
6
4
N
9
O
1
5
Molecular Weight
971.041
Exact Mass
970.452
No. of atoms
133
No. of bonds
134
Polar Surface Area
392.57
LOGP Value
1.71 (
Computed with XLOGP3
)
0.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 2
Canonical SMILES
OC(=O)C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC(=O)O)Cc1ccccc1)Cc1ccc(cc1)O
InChI String
InChI=1S/C45H63N9O15/c1-22(2)36(53-40(63)29(16-17-34(57)58)49-38(61)24(5)46)43(66)51-30(18-26-10-8-7-9-11-26)41(64)50-31(19-27-12-14-28(55)15-13-27)42(65)54-37(23(3)4)44(67)52-32(20-35(59)60)39(62)47-21-33(56)48-25(6)45(68)69/h7-15,22-25,29-32,36-37,55H,16-21,46H2,1-6H3,(H,47,62)(H,48,56)(H,49,61)(H,50,64)(H,51,66)(H,52,67)(H,53,63)(H,54,65)(H,57,58)(H,59,60)(H,68,69)/p+1/t24-,25-,29-,30-,31-,32-,36-,37-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03369
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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