Browse entries in the PDBbind-CN Database
HEADER 1T7J_COMPLEX COMPND 1T7J_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 ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG 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 THR ASN VAL 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 ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG 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 THR ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET UNN A 257 70 ATOM 1 N PRO A 1 -2.925 8.301 34.129 1.00 49.74 N ATOM 2 CA PRO A 1 -2.065 7.286 34.778 1.00 47.96 C ATOM 3 C PRO A 1 -0.695 7.218 34.122 1.00 46.26 C ATOM 4 O PRO A 1 -0.573 7.458 32.927 1.00 48.11 O ATOM 5 CB PRO A 1 -2.784 5.957 34.640 1.00 51.50 C ATOM 6 CG PRO A 1 -3.598 6.192 33.355 1.00 50.13 C ATOM 7 CD PRO A 1 -4.071 7.644 33.472 1.00 49.85 C ATOM 8 HA PRO A 1 -1.897 7.542 35.824 1.00 0.00 H ATOM 9 HD3 PRO A 1 -4.263 8.076 32.490 1.00 0.00 H ATOM 10 HD2 PRO A 1 -4.971 7.718 34.083 1.00 0.00 H ATOM 11 HG3 PRO A 1 -4.448 5.511 33.305 1.00 0.00 H ATOM 12 HG2 PRO A 1 -2.974 6.058 32.471 1.00 0.00 H ATOM 13 HB2 PRO A 1 -2.081 5.132 34.523 1.00 0.00 H ATOM 14 HB3 PRO A 1 -3.432 5.762 35.494 1.00 0.00 H ATOM 15 N GLN A 2 0.334 6.912 34.909 1.00 44.37 N ATOM 16 CA GLN A 2 1.692 6.790 34.387 1.00 43.66 C ATOM 17 C GLN A 2 1.998 5.315 34.156 1.00 43.47 C ATOM 18 O GLN A 2 1.886 4.494 35.066 1.00 44.82 O ATOM 19 CB GLN A 2 2.705 7.396 35.360 1.00 45.89 C ATOM 20 CG GLN A 2 4.145 6.964 35.116 1.00 47.91 C ATOM 21 CD GLN A 2 5.154 7.829 35.863 1.00 49.19 C ATOM 22 OE1 GLN A 2 5.463 8.944 35.443 1.00 48.05 O ATOM 23 NE2 GLN A 2 5.663 7.319 36.980 1.00 49.34 N ATOM 24 HA GLN A 2 1.767 7.335 33.446 1.00 0.00 H ATOM 25 HB2 GLN A 2 2.655 8.481 35.273 1.00 0.00 H ATOM 26 HB3 GLN A 2 2.426 7.100 36.371 1.00 0.00 H ATOM 27 HG2 GLN A 2 4.260 5.931 35.445 1.00 0.00 H ATOM 28 HG3 GLN A 2 4.353 7.029 34.048 1.00 0.00 H ATOM 29 HE22 GLN A 2 5.374 6.372 37.298 1.00 0.00 H ATOM 30 HE21 GLN A 2 6.351 7.867 37.536 1.00 0.00 H ATOM 31 H GLN A 2 0.166 6.756 35.923 1.00 0.00 H ATOM 32 N ILE A 3 2.385 4.982 32.931 1.00 40.57 N ATOM 33 CA ILE A 3 2.664 3.602 32.567 1.00 38.85 C ATOM 34 C ILE A 3 4.131 3.325 32.280 1.00 37.48 C ATOM 35 O ILE A 3 4.739 3.958 31.416 1.00 35.56 O ATOM 36 CB ILE A 3 1.823 3.201 31.343 1.00 40.81 C ATOM 37 CG1 ILE A 3 0.341 3.397 31.674 1.00 41.20 C ATOM 38 CG2 ILE A 3 2.124 1.756 30.945 1.00 40.47 C ATOM 39 CD1 ILE A 3 -0.596 3.096 30.541 1.00 44.83 C ATOM 40 HA ILE A 3 2.396 3.002 33.437 1.00 0.00 H ATOM 41 HB ILE A 3 2.077 3.832 30.491 1.00 0.00 H ATOM 42 HG12 ILE A 3 0.089 2.742 32.508 1.00 0.00 H ATOM 43 HG13 ILE A 3 0.193 4.435 31.972 1.00 0.00 H ATOM 44 HD11 ILE A 3 -0.369 3.751 29.700 1.00 0.00 H ATOM 45 HD12 ILE A 3 -0.474 2.057 30.236 1.00 0.00 H ATOM 46 HD13 ILE A 3 -1.623 3.262 30.867 1.00 0.00 H ATOM 47 HG21 ILE A 3 3.181 1.661 30.698 1.00 0.00 H ATOM 48 HG22 ILE A 3 1.883 1.094 31.776 1.00 0.00 H ATOM 49 HG23 ILE A 3 1.522 1.486 30.078 1.00 0.00 H ATOM 50 H ILE A 3 2.491 5.727 32.213 1.00 0.00 H ATOM 51 N THR A 4 4.691 2.378 33.029 1.00 36.58 N ATOM 52 CA THR A 4 6.080 1.976 32.876 1.00 35.77 C ATOM 53 C THR A 4 6.129 0.982 31.731 1.00 35.28 C ATOM 54 O THR A 4 5.101 0.447 31.325 1.00 34.80 O ATOM 55 CB THR A 4 6.613 1.323 34.167 1.00 39.57 C ATOM 56 OG1 THR A 4 5.737 0.261 34.565 1.00 41.81 O ATOM 57 CG2 THR A 4 6.689 2.353 35.284 1.00 39.10 C ATOM 58 HA THR A 4 6.705 2.845 32.673 1.00 0.00 H ATOM 59 HB THR A 4 7.610 0.928 33.975 1.00 0.00 H ATOM 60 HG1 THR A 4 5.695 -0.418 33.845 1.00 0.00 H ATOM 61 HG23 THR A 4 7.355 3.163 34.985 1.00 0.00 H ATOM 62 HG21 THR A 4 5.693 2.752 35.477 1.00 0.00 H ATOM 63 HG22 THR A 4 7.073 1.880 36.187 1.00 0.00 H ATOM 64 H THR A 4 4.112 1.907 33.753 1.00 0.00 H ATOM 65 N LEU A 5 7.314 0.709 31.213 1.00 34.96 N ATOM 66 CA LEU A 5 7.392 -0.187 30.078 1.00 34.89 C ATOM 67 C LEU A 5 8.040 -1.555 30.268 1.00 36.90 C ATOM 68 O LEU A 5 8.516 -2.155 29.301 1.00 37.56 O ATOM 69 CB LEU A 5 8.048 0.569 28.929 1.00 34.46 C ATOM 70 CG LEU A 5 7.299 1.878 28.656 1.00 31.27 C ATOM 71 CD1 LEU A 5 8.058 2.706 27.638 1.00 37.36 C ATOM 72 CD2 LEU A 5 5.893 1.565 28.160 1.00 29.29 C ATOM 73 HA LEU A 5 6.358 -0.468 29.879 1.00 0.00 H ATOM 74 HB2 LEU A 5 9.082 0.794 29.190 1.00 0.00 H ATOM 75 HB3 LEU A 5 8.028 -0.051 28.033 1.00 0.00 H ATOM 76 HG LEU A 5 7.224 2.456 29.577 1.00 0.00 H ATOM 77 HD21 LEU A 5 5.955 0.983 27.241 1.00 0.00 H ATOM 78 HD22 LEU A 5 5.360 0.993 28.919 1.00 0.00 H ATOM 79 HD23 LEU A 5 5.362 2.497 27.966 1.00 0.00 H ATOM 80 HD11 LEU A 5 9.051 2.934 28.025 1.00 0.00 H ATOM 81 HD12 LEU A 5 8.149 2.143 26.709 1.00 0.00 H ATOM 82 HD13 LEU A 5 7.518 3.634 27.451 1.00 0.00 H ATOM 83 H LEU A 5 8.176 1.131 31.614 1.00 0.00 H ATOM 84 N TRP A 6 8.039 -2.063 31.498 1.00 37.94 N ATOM 85 CA TRP A 6 8.618 -3.379 31.764 1.00 39.66 C ATOM 86 C TRP A 6 7.728 -4.454 31.159 1.00 39.46 C ATOM 87 O TRP A 6 8.153 -5.590 30.947 1.00 40.96 O ATOM 88 CB TRP A 6 8.763 -3.603 33.268 1.00 43.56 C ATOM 89 CG TRP A 6 9.473 -2.474 33.920 1.00 48.73 C ATOM 90 CD1 TRP A 6 8.906 -1.387 34.526 1.00 50.85 C ATOM 91 CD2 TRP A 6 10.886 -2.252 33.935 1.00 49.87 C ATOM 92 NE1 TRP A 6 9.882 -0.494 34.910 1.00 51.88 N ATOM 93 CE2 TRP A 6 11.107 -0.999 34.558 1.00 51.53 C ATOM 94 CE3 TRP A 6 11.989 -2.984 33.476 1.00 50.84 C ATOM 95 CZ2 TRP A 6 12.385 -0.465 34.739 1.00 50.97 C ATOM 96 CZ3 TRP A 6 13.260 -2.453 33.654 1.00 51.68 C ATOM 97 CH2 TRP A 6 13.446 -1.203 34.279 1.00 54.05 C ATOM 98 HA TRP A 6 9.608 -3.431 31.311 1.00 0.00 H ATOM 99 HB2 TRP A 6 7.771 -3.700 33.709 1.00 0.00 H ATOM 100 HB3 TRP A 6 9.326 -4.521 33.437 1.00 0.00 H ATOM 101 HE1 TRP A 6 9.717 0.414 35.389 1.00 0.00 H ATOM 102 HD1 TRP A 6 7.836 -1.247 34.683 1.00 0.00 H ATOM 103 HZ2 TRP A 6 12.533 0.499 35.226 1.00 0.00 H ATOM 104 HH2 TRP A 6 14.457 -0.814 34.400 1.00 0.00 H ATOM 105 HZ3 TRP A 6 14.128 -3.012 33.305 1.00 0.00 H ATOM 106 HE3 TRP A 6 11.853 -3.950 32.989 1.00 0.00 H ATOM 107 H TRP A 6 7.622 -1.518 32.279 1.00 0.00 H ATOM 108 N LYS A 7 6.489 -4.077 30.876 1.00 38.04 N ATOM 109 CA LYS A 7 5.522 -4.978 30.274 1.00 39.30 C ATOM 110 C LYS A 7 4.875 -4.242 29.109 1.00 38.47 C ATOM 111 O LYS A 7 4.926 -3.017 29.045 1.00 38.78 O ATOM 112 CB LYS A 7 4.455 -5.383 31.300 1.00 41.73 C ATOM 113 CG LYS A 7 4.982 -6.257 32.438 1.00 45.66 C ATOM 114 CD LYS A 7 3.903 -6.621 33.451 1.00 49.54 C ATOM 115 CE LYS A 7 4.494 -7.489 34.571 1.00 54.49 C ATOM 116 NZ LYS A 7 3.495 -7.957 35.579 1.00 53.60 N ATOM 117 HA LYS A 7 6.014 -5.888 29.930 1.00 0.00 H ATOM 118 HB2 LYS A 7 4.034 -4.475 31.732 1.00 0.00 H ATOM 119 HB3 LYS A 7 3.671 -5.934 30.780 1.00 0.00 H ATOM 120 HG2 LYS A 7 5.386 -7.176 32.013 1.00 0.00 H ATOM 121 HG3 LYS A 7 5.776 -5.717 32.953 1.00 0.00 H ATOM 122 HD2 LYS A 7 3.492 -5.708 33.882 1.00 0.00 H ATOM 123 HD3 LYS A 7 3.109 -7.174 32.948 1.00 0.00 H ATOM 124 HE2 LYS A 7 5.255 -6.906 35.090 1.00 0.00 H ATOM 125 HE3 LYS A 7 4.957 -8.365 34.116 1.00 0.00 H ATOM 126 HZ1 LYS A 7 3.051 -7.134 36.034 1.00 0.00 H ATOM 127 HZ2 LYS A 7 2.766 -8.527 35.104 1.00 0.00 H ATOM 128 HZ3 LYS A 7 3.975 -8.535 36.298 1.00 0.00 H ATOM 129 H LYS A 7 6.199 -3.102 31.093 1.00 0.00 H ATOM 130 N ARG A 8 4.286 -4.981 28.175 1.00 36.95 N ATOM 131 CA ARG A 8 3.626 -4.344 27.047 1.00 34.16 C ATOM 132 C ARG A 8 2.543 -3.426 27.573 1.00 32.65 C ATOM 133 O ARG A 8 1.723 -3.825 28.399 1.00 30.66 O ATOM 134 CB ARG A 8 2.991 -5.379 26.132 1.00 33.80 C ATOM 135 CG ARG A 8 3.971 -6.061 25.243 1.00 40.30 C ATOM 136 CD ARG A 8 3.364 -7.288 24.636 1.00 43.47 C ATOM 137 NE ARG A 8 4.347 -8.001 23.831 1.00 52.91 N ATOM 138 CZ ARG A 8 4.198 -9.251 23.406 1.00 55.70 C ATOM 139 NH1 ARG A 8 3.098 -9.931 23.716 1.00 56.48 N ATOM 140 NH2 ARG A 8 5.149 -9.817 22.672 1.00 56.37 N ATOM 141 HA ARG A 8 4.368 -3.784 26.477 1.00 0.00 H ATOM 142 HB2 ARG A 8 2.501 -6.132 26.749 1.00 0.00 H ATOM 143 HB3 ARG A 8 2.247 -4.881 25.510 1.00 0.00 H ATOM 144 HG2 ARG A 8 4.270 -5.378 24.448 1.00 0.00 H ATOM 145 HG3 ARG A 8 4.847 -6.345 25.826 1.00 0.00 H ATOM 146 HD2 ARG A 8 2.525 -6.998 24.004 1.00 0.00 H ATOM 147 HD3 ARG A 8 3.008 -7.943 25.431 1.00 0.00 H ATOM 148 HE ARG A 8 5.221 -7.500 23.573 1.00 0.00 H ATOM 149 HH12 ARG A 8 2.981 -10.909 23.384 1.00 0.00 H ATOM 150 HH11 ARG A 8 2.355 -9.484 24.291 1.00 0.00 H ATOM 151 HH22 ARG A 8 5.035 -10.795 22.338 1.00 0.00 H ATOM 152 HH21 ARG A 8 6.008 -9.282 22.431 1.00 0.00 H ATOM 153 H ARG A 8 4.297 -6.018 28.251 1.00 0.00 H ATOM 154 N PRO A 9 2.540 -2.169 27.122 1.00 30.65 N ATOM 155 CA PRO A 9 1.513 -1.243 27.589 1.00 30.72 C ATOM 156 C PRO A 9 0.157 -1.588 26.968 1.00 32.52 C ATOM 157 O PRO A 9 -0.262 -0.968 25.990 1.00 33.45 O ATOM 158 CB PRO A 9 2.045 0.107 27.129 1.00 28.80 C ATOM 159 CG PRO A 9 2.781 -0.234 25.894 1.00 28.20 C ATOM 160 CD PRO A 9 3.534 -1.473 26.293 1.00 30.03 C ATOM 161 HA PRO A 9 1.338 -1.271 28.664 1.00 0.00 H ATOM 162 HD3 PRO A 9 3.813 -2.067 25.423 1.00 0.00 H ATOM 163 HD2 PRO A 9 4.429 -1.228 26.866 1.00 0.00 H ATOM 164 HG3 PRO A 9 3.463 0.567 25.608 1.00 0.00 H ATOM 165 HG2 PRO A 9 2.096 -0.437 25.071 1.00 0.00 H ATOM 166 HB2 PRO A 9 1.230 0.801 26.922 1.00 0.00 H ATOM 167 HB3 PRO A 9 2.710 0.542 27.875 1.00 0.00 H ATOM 168 N LEU A 10 -0.517 -2.586 27.536 1.00 33.40 N ATOM 169 CA LEU A 10 -1.828 -3.010 27.045 1.00 36.44 C ATOM 170 C LEU A 10 -2.958 -2.353 27.825 1.00 36.59 C ATOM 171 O LEU A 10 -2.867 -2.184 29.034 1.00 38.03 O ATOM 172 CB LEU A 10 -1.974 -4.531 27.129 1.00 35.63 C ATOM 173 CG LEU A 10 -1.063 -5.324 26.188 1.00 42.09 C ATOM 174 CD1 LEU A 10 -1.237 -6.822 26.427 1.00 42.44 C ATOM 175 CD2 LEU A 10 -1.398 -4.981 24.749 1.00 42.83 C ATOM 176 HA LEU A 10 -1.895 -2.696 26.003 1.00 0.00 H ATOM 177 HB2 LEU A 10 -1.751 -4.836 28.151 1.00 0.00 H ATOM 178 HB3 LEU A 10 -3.007 -4.785 26.892 1.00 0.00 H ATOM 179 HG LEU A 10 -0.024 -5.059 26.386 1.00 0.00 H ATOM 180 HD21 LEU A 10 -2.438 -5.237 24.549 1.00 0.00 H ATOM 181 HD22 LEU A 10 -1.247 -3.914 24.587 1.00 0.00 H ATOM 182 HD23 LEU A 10 -0.748 -5.547 24.081 1.00 0.00 H ATOM 183 HD11 LEU A 10 -0.977 -7.057 27.459 1.00 0.00 H ATOM 184 HD12 LEU A 10 -2.274 -7.100 26.240 1.00 0.00 H ATOM 185 HD13 LEU A 10 -0.584 -7.375 25.752 1.00 0.00 H ATOM 186 H LEU A 10 -0.100 -3.078 28.352 1.00 0.00 H ATOM 187 N VAL A 11 -4.021 -1.982 27.124 1.00 35.96 N ATOM 188 CA VAL A 11 -5.158 -1.344 27.756 1.00 34.16 C ATOM 189 C VAL A 11 -6.448 -1.889 27.187 1.00 36.35 C ATOM 190 O VAL A 11 -6.490 -2.450 26.093 1.00 34.70 O ATOM 191 CB VAL A 11 -5.172 0.182 27.526 1.00 34.59 C ATOM 192 CG1 VAL A 11 -3.882 0.803 28.032 1.00 32.19 C ATOM 193 CG2 VAL A 11 -5.374 0.480 26.046 1.00 33.48 C ATOM 194 HA VAL A 11 -5.072 -1.552 28.822 1.00 0.00 H ATOM 195 HB VAL A 11 -6.000 0.620 28.084 1.00 0.00 H ATOM 196 HG11 VAL A 11 -3.779 0.604 29.099 1.00 0.00 H ATOM 197 HG12 VAL A 11 -3.037 0.370 27.497 1.00 0.00 H ATOM 198 HG13 VAL A 11 -3.908 1.879 27.863 1.00 0.00 H ATOM 199 HG21 VAL A 11 -4.560 0.036 25.473 1.00 0.00 H ATOM 200 HG22 VAL A 11 -6.324 0.057 25.718 1.00 0.00 H ATOM 201 HG23 VAL A 11 -5.383 1.559 25.892 1.00 0.00 H ATOM 202 H VAL A 11 -4.039 -2.153 26.098 1.00 0.00 H ATOM 203 N THR A 12 -7.512 -1.705 27.948 1.00 36.38 N ATOM 204 CA THR A 12 -8.814 -2.152 27.532 1.00 34.58 C ATOM 205 C THR A 12 -9.460 -0.965 26.846 1.00 33.73 C ATOM 206 O THR A 12 -9.470 0.143 27.385 1.00 33.86 O ATOM 207 CB THR A 12 -9.656 -2.563 28.746 1.00 37.92 C ATOM 208 OG1 THR A 12 -8.924 -3.522 29.521 1.00 43.16 O ATOM 209 CG2 THR A 12 -10.985 -3.171 28.301 1.00 38.01 C ATOM 210 HA THR A 12 -8.741 -3.018 26.874 1.00 0.00 H ATOM 211 HB THR A 12 -9.866 -1.678 29.347 1.00 0.00 H ATOM 212 HG1 THR A 12 -9.463 -3.791 30.306 1.00 0.00 H ATOM 213 HG23 THR A 12 -11.539 -2.440 27.712 1.00 0.00 H ATOM 214 HG21 THR A 12 -10.793 -4.057 27.695 1.00 0.00 H ATOM 215 HG22 THR A 12 -11.568 -3.449 29.179 1.00 0.00 H ATOM 216 H THR A 12 -7.406 -1.228 28.866 1.00 0.00 H ATOM 217 N ILE A 13 -9.973 -1.192 25.646 1.00 31.70 N ATOM 218 CA ILE A 13 -10.629 -0.132 24.912 1.00 33.70 C ATOM 219 C ILE A 13 -12.054 -0.575 24.684 1.00 35.29 C ATOM 220 O ILE A 13 -12.354 -1.773 24.694 1.00 33.56 O ATOM 221 CB ILE A 13 -9.967 0.129 23.529 1.00 34.59 C ATOM 222 CG1 ILE A 13 -10.141 -1.095 22.623 1.00 36.47 C ATOM 223 CG2 ILE A 13 -8.485 0.460 23.712 1.00 34.47 C ATOM 224 CD1 ILE A 13 -9.652 -0.893 21.212 1.00 38.09 C ATOM 225 HA ILE A 13 -10.559 0.792 25.486 1.00 0.00 H ATOM 226 HB ILE A 13 -10.455 0.980 23.055 1.00 0.00 H ATOM 227 HG12 ILE A 13 -9.588 -1.926 23.061 1.00 0.00 H ATOM 228 HG13 ILE A 13 -11.201 -1.345 22.585 1.00 0.00 H ATOM 229 HD11 ILE A 13 -10.203 -0.073 20.752 1.00 0.00 H ATOM 230 HD12 ILE A 13 -8.589 -0.654 21.228 1.00 0.00 H ATOM 231 HD13 ILE A 13 -9.812 -1.806 20.639 1.00 0.00 H ATOM 232 HG21 ILE A 13 -8.387 1.352 24.331 1.00 0.00 H ATOM 233 HG22 ILE A 13 -7.984 -0.378 24.197 1.00 0.00 H ATOM 234 HG23 ILE A 13 -8.031 0.641 22.738 1.00 0.00 H ATOM 235 H ILE A 13 -9.903 -2.142 25.227 1.00 0.00 H ATOM 236 N ARG A 14 -12.937 0.390 24.491 1.00 34.94 N ATOM 237 CA ARG A 14 -14.316 0.055 24.232 1.00 38.08 C ATOM 238 C ARG A 14 -14.668 0.652 22.883 1.00 37.03 C ATOM 239 O ARG A 14 -14.461 1.840 22.641 1.00 34.40 O ATOM 240 CB ARG A 14 -15.233 0.608 25.337 1.00 42.18 C ATOM 241 CG ARG A 14 -16.641 0.005 25.328 1.00 46.24 C ATOM 242 CD ARG A 14 -17.407 0.305 26.612 1.00 50.10 C ATOM 243 NE ARG A 14 -17.775 1.713 26.731 1.00 56.79 N ATOM 244 CZ ARG A 14 -18.661 2.320 25.945 1.00 59.32 C ATOM 245 NH1 ARG A 14 -19.276 1.642 24.984 1.00 60.85 N ATOM 246 NH2 ARG A 14 -18.931 3.608 26.116 1.00 61.90 N ATOM 247 HA ARG A 14 -14.456 -1.026 24.223 1.00 0.00 H ATOM 248 HB2 ARG A 14 -14.774 0.397 26.303 1.00 0.00 H ATOM 249 HB3 ARG A 14 -15.319 1.687 25.205 1.00 0.00 H ATOM 250 HG2 ARG A 14 -17.194 0.418 24.485 1.00 0.00 H ATOM 251 HG3 ARG A 14 -16.559 -1.076 25.213 1.00 0.00 H ATOM 252 HD2 ARG A 14 -16.782 0.034 27.463 1.00 0.00 H ATOM 253 HD3 ARG A 14 -18.316 -0.296 26.625 1.00 0.00 H ATOM 254 HE ARG A 14 -17.317 2.276 27.476 1.00 0.00 H ATOM 255 HH12 ARG A 14 -19.968 2.120 24.372 1.00 0.00 H ATOM 256 HH11 ARG A 14 -19.066 0.633 24.843 1.00 0.00 H ATOM 257 HH22 ARG A 14 -19.624 4.080 25.501 1.00 0.00 H ATOM 258 HH21 ARG A 14 -18.450 4.145 26.865 1.00 0.00 H ATOM 259 H ARG A 14 -12.639 1.386 24.526 1.00 0.00 H ATOM 260 N ILE A 15 -15.185 -0.182 21.992 1.00 36.76 N ATOM 261 CA ILE A 15 -15.566 0.289 20.677 1.00 37.95 C ATOM 262 C ILE A 15 -16.792 -0.484 20.207 1.00 40.34 C ATOM 263 O ILE A 15 -16.743 -1.698 19.982 1.00 41.28 O ATOM 264 CB ILE A 15 -14.376 0.159 19.668 1.00 37.37 C ATOM 265 CG1 ILE A 15 -14.805 0.653 18.285 1.00 37.07 C ATOM 266 CG2 ILE A 15 -13.882 -1.271 19.611 1.00 36.14 C ATOM 267 CD1 ILE A 15 -13.668 0.793 17.304 1.00 35.73 C ATOM 268 HA ILE A 15 -15.819 1.348 20.729 1.00 0.00 H ATOM 269 HB ILE A 15 -13.550 0.782 20.012 1.00 0.00 H ATOM 270 HG12 ILE A 15 -15.526 -0.055 17.876 1.00 0.00 H ATOM 271 HG13 ILE A 15 -15.280 1.627 18.401 1.00 0.00 H ATOM 272 HD11 ILE A 15 -12.942 1.508 17.691 1.00 0.00 H ATOM 273 HD12 ILE A 15 -13.188 -0.176 17.166 1.00 0.00 H ATOM 274 HD13 ILE A 15 -14.055 1.147 16.349 1.00 0.00 H ATOM 275 HG21 ILE A 15 -13.543 -1.576 20.601 1.00 0.00 H ATOM 276 HG22 ILE A 15 -14.694 -1.922 19.287 1.00 0.00 H ATOM 277 HG23 ILE A 15 -13.055 -1.340 18.904 1.00 0.00 H ATOM 278 H ILE A 15 -15.318 -1.183 22.240 1.00 0.00 H ATOM 279 N GLY A 16 -17.906 0.233 20.088 1.00 41.56 N ATOM 280 CA GLY A 16 -19.147 -0.382 19.662 1.00 42.77 C ATOM 281 C GLY A 16 -19.674 -1.331 20.712 1.00 41.99 C ATOM 282 O GLY A 16 -20.066 -2.453 20.401 1.00 45.46 O ATOM 283 HA3 GLY A 16 -18.972 -0.934 18.739 1.00 0.00 H ATOM 284 HA2 GLY A 16 -19.887 0.398 19.483 1.00 0.00 H ATOM 285 H GLY A 16 -17.886 1.250 20.304 1.00 0.00 H ATOM 286 N GLY A 17 -19.672 -0.891 21.963 1.00 41.21 N ATOM 287 CA GLY A 17 -20.170 -1.739 23.029 1.00 40.87 C ATOM 288 C GLY A 17 -19.344 -2.993 23.240 1.00 42.13 C ATOM 289 O GLY A 17 -19.690 -3.843 24.066 1.00 43.08 O ATOM 290 HA3 GLY A 17 -21.191 -2.035 22.787 1.00 0.00 H ATOM 291 HA2 GLY A 17 -20.169 -1.165 23.956 1.00 0.00 H ATOM 292 H GLY A 17 -19.314 0.061 22.179 1.00 0.00 H ATOM 293 N GLN A 18 -18.255 -3.120 22.492 1.00 40.87 N ATOM 294 CA GLN A 18 -17.376 -4.277 22.614 1.00 39.53 C ATOM 295 C GLN A 18 -16.114 -3.879 23.375 1.00 38.08 C ATOM 296 O GLN A 18 -15.637 -2.752 23.254 1.00 36.70 O ATOM 297 CB GLN A 18 -17.005 -4.803 21.222 1.00 40.43 C ATOM 298 CG GLN A 18 -18.161 -5.442 20.466 1.00 41.16 C ATOM 299 CD GLN A 18 -18.438 -6.872 20.905 1.00 42.90 C ATOM 300 OE1 GLN A 18 -19.423 -7.479 20.488 1.00 44.68 O ATOM 301 NE2 GLN A 18 -17.564 -7.419 21.745 1.00 42.18 N ATOM 302 HA GLN A 18 -17.893 -5.066 23.161 1.00 0.00 H ATOM 303 HB2 GLN A 18 -16.629 -3.968 20.630 1.00 0.00 H ATOM 304 HB3 GLN A 18 -16.218 -5.548 21.337 1.00 0.00 H ATOM 305 HG2 GLN A 18 -19.058 -4.846 20.634 1.00 0.00 H ATOM 306 HG3 GLN A 18 -17.922 -5.445 19.402 1.00 0.00 H ATOM 307 HE22 GLN A 18 -16.744 -6.870 22.073 1.00 0.00 H ATOM 308 HE21 GLN A 18 -17.700 -8.396 22.074 1.00 0.00 H ATOM 309 H GLN A 18 -18.023 -2.377 21.803 1.00 0.00 H ATOM 310 N LEU A 19 -15.585 -4.800 24.175 1.00 37.29 N ATOM 311 CA LEU A 19 -14.374 -4.532 24.937 1.00 37.54 C ATOM 312 C LEU A 19 -13.194 -5.330 24.399 1.00 39.30 C ATOM 313 O LEU A 19 -13.179 -6.559 24.447 1.00 40.52 O ATOM 314 CB LEU A 19 -14.556 -4.869 26.419 1.00 37.10 C ATOM 315 CG LEU A 19 -15.612 -4.145 27.255 1.00 41.62 C ATOM 316 CD1 LEU A 19 -15.398 -4.508 28.728 1.00 40.72 C ATOM 317 CD2 LEU A 19 -15.510 -2.642 27.064 1.00 40.08 C ATOM 318 HA LEU A 19 -14.172 -3.466 24.832 1.00 0.00 H ATOM 319 HB2 LEU A 19 -14.791 -5.932 26.471 1.00 0.00 H ATOM 320 HB3 LEU A 19 -13.596 -4.686 26.901 1.00 0.00 H ATOM 321 HG LEU A 19 -16.607 -4.455 26.935 1.00 0.00 H ATOM 322 HD21 LEU A 19 -14.521 -2.304 27.374 1.00 0.00 H ATOM 323 HD22 LEU A 19 -15.665 -2.399 26.013 1.00 0.00 H ATOM 324 HD23 LEU A 19 -16.271 -2.148 27.668 1.00 0.00 H ATOM 325 HD11 LEU A 19 -15.498 -5.586 28.853 1.00 0.00 H ATOM 326 HD12 LEU A 19 -14.400 -4.196 29.036 1.00 0.00 H ATOM 327 HD13 LEU A 19 -16.144 -3.999 29.338 1.00 0.00 H ATOM 328 H LEU A 19 -16.045 -5.729 24.258 1.00 0.00 H ATOM 329 N LYS A 20 -12.199 -4.622 23.886 1.00 39.20 N ATOM 330 CA LYS A 20 -11.020 -5.274 23.358 1.00 40.47 C ATOM 331 C LYS A 20 -9.763 -4.792 24.066 1.00 39.38 C ATOM 332 O LYS A 20 -9.770 -3.794 24.786 1.00 38.13 O ATOM 333 CB LYS A 20 -10.907 -5.040 21.843 1.00 41.46 C ATOM 334 CG LYS A 20 -11.852 -5.909 21.015 1.00 48.38 C ATOM 335 CD LYS A 20 -11.632 -5.717 19.523 1.00 54.51 C ATOM 336 CE LYS A 20 -12.264 -6.840 18.689 1.00 57.69 C ATOM 337 NZ LYS A 20 -13.745 -6.925 18.815 1.00 57.50 N ATOM 338 HA LYS A 20 -11.119 -6.344 23.539 1.00 0.00 H ATOM 339 HB2 LYS A 20 -11.133 -3.994 21.638 1.00 0.00 H ATOM 340 HB3 LYS A 20 -9.883 -5.256 21.537 1.00 0.00 H ATOM 341 HG2 LYS A 20 -11.680 -6.956 21.266 1.00 0.00 H ATOM 342 HG3 LYS A 20 -12.881 -5.643 21.258 1.00 0.00 H ATOM 343 HD2 LYS A 20 -12.074 -4.767 19.223 1.00 0.00 H ATOM 344 HD3 LYS A 20 -10.560 -5.696 19.327 1.00 0.00 H ATOM 345 HE2 LYS A 20 -11.837 -7.789 19.012 1.00 0.00 H ATOM 346 HE3 LYS A 20 -12.018 -6.670 17.641 1.00 0.00 H ATOM 347 HZ1 LYS A 20 -13.998 -7.099 19.809 1.00 0.00 H ATOM 348 HZ2 LYS A 20 -14.170 -6.030 18.500 1.00 0.00 H ATOM 349 HZ3 LYS A 20 -14.098 -7.705 18.224 1.00 0.00 H ATOM 350 H LYS A 20 -12.266 -3.584 23.862 1.00 0.00 H ATOM 351 N GLU A 21 -8.686 -5.534 23.857 1.00 39.72 N ATOM 352 CA GLU A 21 -7.396 -5.233 24.445 1.00 38.80 C ATOM 353 C GLU A 21 -6.524 -4.680 23.323 1.00 36.13 C ATOM 354 O GLU A 21 -6.475 -5.257 22.238 1.00 36.93 O ATOM 355 CB GLU A 21 -6.798 -6.517 24.995 1.00 42.47 C ATOM 356 CG GLU A 21 -5.751 -6.316 26.039 1.00 53.90 C ATOM 357 CD GLU A 21 -5.387 -7.616 26.720 1.00 59.83 C ATOM 358 OE1 GLU A 21 -4.788 -8.492 26.052 1.00 63.00 O ATOM 359 OE2 GLU A 21 -5.712 -7.762 27.921 1.00 64.92 O ATOM 360 HA GLU A 21 -7.475 -4.512 25.259 1.00 0.00 H ATOM 361 HB2 GLU A 21 -7.603 -7.109 25.430 1.00 0.00 H ATOM 362 HB3 GLU A 21 -6.352 -7.067 24.167 1.00 0.00 H ATOM 363 HG2 GLU A 21 -4.859 -5.900 25.570 1.00 0.00 H ATOM 364 HG3 GLU A 21 -6.126 -5.618 26.787 1.00 0.00 H ATOM 365 H GLU A 21 -8.770 -6.370 23.244 1.00 0.00 H ATOM 366 N ALA A 22 -5.857 -3.557 23.573 1.00 32.40 N ATOM 367 CA ALA A 22 -5.005 -2.947 22.562 1.00 28.63 C ATOM 368 C ALA A 22 -3.724 -2.401 23.173 1.00 28.48 C ATOM 369 O ALA A 22 -3.664 -2.078 24.364 1.00 27.56 O ATOM 370 CB ALA A 22 -5.756 -1.839 21.840 1.00 26.53 C ATOM 371 HA ALA A 22 -4.732 -3.720 21.844 1.00 0.00 H ATOM 372 HB1 ALA A 22 -6.640 -2.256 21.358 1.00 0.00 H ATOM 373 HB2 ALA A 22 -6.058 -1.078 22.559 1.00 0.00 H ATOM 374 HB3 ALA A 22 -5.106 -1.392 21.087 1.00 0.00 H ATOM 375 H ALA A 22 -5.945 -3.107 24.506 1.00 0.00 H ATOM 376 N LEU A 23 -2.710 -2.285 22.327 1.00 25.86 N ATOM 377 CA LEU A 23 -1.389 -1.814 22.716 1.00 25.80 C ATOM 378 C LEU A 23 -1.148 -0.333 22.393 1.00 26.07 C ATOM 379 O LEU A 23 -1.329 0.099 21.248 1.00 25.80 O ATOM 380 CB LEU A 23 -0.357 -2.672 21.991 1.00 24.78 C ATOM 381 CG LEU A 23 1.136 -2.509 22.227 1.00 29.61 C ATOM 382 CD1 LEU A 23 1.523 -3.218 23.515 1.00 32.34 C ATOM 383 CD2 LEU A 23 1.897 -3.125 21.050 1.00 33.21 C ATOM 384 HA LEU A 23 -1.305 -1.904 23.799 1.00 0.00 H ATOM 385 HB2 LEU A 23 -0.594 -3.707 22.237 1.00 0.00 H ATOM 386 HB3 LEU A 23 -0.517 -2.507 20.926 1.00 0.00 H ATOM 387 HG LEU A 23 1.386 -1.451 22.310 1.00 0.00 H ATOM 388 HD21 LEU A 23 1.650 -4.184 20.973 1.00 0.00 H ATOM 389 HD22 LEU A 23 1.612 -2.617 20.129 1.00 0.00 H ATOM 390 HD23 LEU A 23 2.969 -3.012 21.213 1.00 0.00 H ATOM 391 HD11 LEU A 23 0.972 -2.782 24.348 1.00 0.00 H ATOM 392 HD12 LEU A 23 1.280 -4.277 23.432 1.00 0.00 H ATOM 393 HD13 LEU A 23 2.593 -3.102 23.685 1.00 0.00 H ATOM 394 H LEU A 23 -2.867 -2.544 21.332 1.00 0.00 H ATOM 395 N LEU A 24 -0.752 0.444 23.401 1.00 26.01 N ATOM 396 CA LEU A 24 -0.439 1.863 23.192 1.00 25.74 C ATOM 397 C LEU A 24 0.900 1.841 22.453 1.00 26.72 C ATOM 398 O LEU A 24 1.940 1.511 23.026 1.00 22.68 O ATOM 399 CB LEU A 24 -0.310 2.605 24.529 1.00 24.77 C ATOM 400 CG LEU A 24 -1.536 2.559 25.456 1.00 30.74 C ATOM 401 CD1 LEU A 24 -1.274 3.409 26.690 1.00 24.97 C ATOM 402 CD2 LEU A 24 -2.784 3.057 24.728 1.00 25.30 C ATOM 403 HA LEU A 24 -1.220 2.383 22.637 1.00 0.00 H ATOM 404 HB2 LEU A 24 0.532 2.172 25.069 1.00 0.00 H ATOM 405 HB3 LEU A 24 -0.099 3.652 24.309 1.00 0.00 H ATOM 406 HG LEU A 24 -1.709 1.526 25.759 1.00 0.00 H ATOM 407 HD21 LEU A 24 -2.627 4.085 24.402 1.00 0.00 H ATOM 408 HD22 LEU A 24 -2.974 2.425 23.861 1.00 0.00 H ATOM 409 HD23 LEU A 24 -3.638 3.015 25.404 1.00 0.00 H ATOM 410 HD11 LEU A 24 -0.404 3.020 27.219 1.00 0.00 H ATOM 411 HD12 LEU A 24 -1.086 4.439 26.387 1.00 0.00 H ATOM 412 HD13 LEU A 24 -2.145 3.374 27.345 1.00 0.00 H ATOM 413 H LEU A 24 -0.663 0.037 24.354 1.00 0.00 H ATOM 414 N ASP A 25 0.852 2.204 21.176 1.00 26.56 N ATOM 415 CA ASP A 25 2.009 2.151 20.293 1.00 26.11 C ATOM 416 C ASP A 25 2.449 3.509 19.749 1.00 25.72 C ATOM 417 O ASP A 25 1.875 4.007 18.781 1.00 24.30 O ATOM 418 CB ASP A 25 1.645 1.215 19.139 1.00 25.61 C ATOM 419 CG ASP A 25 2.791 0.943 18.216 1.00 26.10 C ATOM 420 OD1 ASP A 25 3.867 1.560 18.365 1.00 25.92 O ATOM 421 OD2 ASP A 25 2.594 0.098 17.329 1.00 25.97 O ATOM 422 HA ASP A 25 2.861 1.792 20.870 1.00 0.00 H ATOM 423 HB2 ASP A 25 1.303 0.268 19.556 1.00 0.00 H ATOM 424 HB3 ASP A 25 0.838 1.670 18.565 1.00 0.00 H ATOM 425 H ASP A 25 -0.053 2.541 20.789 1.00 0.00 H ATOM 426 N THR A 26 3.476 4.103 20.352 1.00 23.95 N ATOM 427 CA THR A 26 3.937 5.408 19.879 1.00 25.11 C ATOM 428 C THR A 26 4.664 5.317 18.541 1.00 22.46 C ATOM 429 O THR A 26 4.884 6.328 17.880 1.00 24.40 O ATOM 430 CB THR A 26 4.840 6.099 20.918 1.00 25.39 C ATOM 431 OG1 THR A 26 5.939 5.240 21.258 1.00 28.37 O ATOM 432 CG2 THR A 26 4.023 6.427 22.167 1.00 25.55 C ATOM 433 HA THR A 26 3.041 6.011 19.734 1.00 0.00 H ATOM 434 HB THR A 26 5.235 7.023 20.496 1.00 0.00 H ATOM 435 HG1 THR A 26 6.467 5.044 20.444 1.00 0.00 H ATOM 436 HG23 THR A 26 3.193 7.079 21.896 1.00 0.00 H ATOM 437 HG21 THR A 26 3.636 5.504 22.599 1.00 0.00 H ATOM 438 HG22 THR A 26 4.660 6.931 22.894 1.00 0.00 H ATOM 439 H THR A 26 3.948 3.642 21.155 1.00 0.00 H ATOM 440 N GLY A 27 4.992 4.094 18.132 1.00 23.10 N ATOM 441 CA GLY A 27 5.668 3.877 16.864 1.00 22.23 C ATOM 442 C GLY A 27 4.724 3.778 15.676 1.00 22.61 C ATOM 443 O GLY A 27 5.159 3.756 14.525 1.00 23.41 O ATOM 444 HA3 GLY A 27 6.236 2.949 16.931 1.00 0.00 H ATOM 445 HA2 GLY A 27 6.352 4.708 16.692 1.00 0.00 H ATOM 446 H GLY A 27 4.760 3.277 18.732 1.00 0.00 H ATOM 447 N ALA A 28 3.425 3.696 15.940 1.00 20.98 N ATOM 448 CA ALA A 28 2.454 3.617 14.855 1.00 22.59 C ATOM 449 C ALA A 28 1.788 4.981 14.674 1.00 24.84 C ATOM 450 O ALA A 28 1.321 5.577 15.647 1.00 24.45 O ATOM 451 CB ALA A 28 1.402 2.556 15.163 1.00 21.80 C ATOM 452 HA ALA A 28 2.965 3.338 13.934 1.00 0.00 H ATOM 453 HB1 ALA A 28 1.888 1.587 15.278 1.00 0.00 H ATOM 454 HB2 ALA A 28 0.885 2.816 16.086 1.00 0.00 H ATOM 455 HB3 ALA A 28 0.684 2.509 14.344 1.00 0.00 H ATOM 456 H ALA A 28 3.098 3.688 16.927 1.00 0.00 H ATOM 457 N ASP A 29 1.753 5.477 13.439 1.00 23.70 N ATOM 458 CA ASP A 29 1.129 6.769 13.164 1.00 27.75 C ATOM 459 C ASP A 29 -0.384 6.624 13.220 1.00 28.29 C ATOM 460 O ASP A 29 -1.094 7.561 13.593 1.00 25.35 O ATOM 461 CB ASP A 29 1.514 7.287 11.773 1.00 27.08 C ATOM 462 CG ASP A 29 3.008 7.236 11.527 1.00 29.52 C ATOM 463 OD1 ASP A 29 3.760 8.012 12.152 1.00 30.56 O ATOM 464 OD2 ASP A 29 3.429 6.400 10.712 1.00 36.59 O ATOM 465 HA ASP A 29 1.478 7.477 13.916 1.00 0.00 H ATOM 466 HB2 ASP A 29 1.015 6.675 11.022 1.00 0.00 H ATOM 467 HB3 ASP A 29 1.179 8.320 11.680 1.00 0.00 H ATOM 468 H ASP A 29 2.176 4.936 12.658 1.00 0.00 H ATOM 469 N ASP A 30 -0.876 5.443 12.856 1.00 27.64 N ATOM 470 CA ASP A 30 -2.312 5.212 12.853 1.00 27.68 C ATOM 471 C ASP A 30 -2.728 4.092 13.780 1.00 28.62 C ATOM 472 O ASP A 30 -1.898 3.301 14.237 1.00 28.68 O ATOM 473 CB ASP A 30 -2.786 4.882 11.441 1.00 33.72 C ATOM 474 CG ASP A 30 -2.434 5.961 10.447 1.00 35.71 C ATOM 475 OD1 ASP A 30 -2.915 7.104 10.618 1.00 40.88 O ATOM 476 OD2 ASP A 30 -1.676 5.660 9.503 1.00 36.74 O ATOM 477 HA ASP A 30 -2.775 6.132 13.211 1.00 0.00 H ATOM 478 HB2 ASP A 30 -2.320 3.949 11.124 1.00 0.00 H ATOM 479 HB3 ASP A 30 -3.869 4.759 11.455 1.00 0.00 H ATOM 480 H ASP A 30 -0.229 4.680 12.572 1.00 0.00 H ATOM 481 N THR A 31 -4.028 4.041 14.038 1.00 25.43 N ATOM 482 CA THR A 31 -4.640 3.036 14.890 1.00 23.74 C ATOM 483 C THR A 31 -5.103 1.881 13.996 1.00 23.32 C ATOM 484 O THR A 31 -5.887 2.086 13.074 1.00 24.09 O ATOM 485 CB THR A 31 -5.859 3.632 15.636 1.00 23.25 C ATOM 486 OG1 THR A 31 -5.401 4.555 16.634 1.00 28.21 O ATOM 487 CG2 THR A 31 -6.690 2.523 16.290 1.00 16.61 C ATOM 488 HA THR A 31 -3.920 2.688 15.631 1.00 0.00 H ATOM 489 HB THR A 31 -6.492 4.154 14.918 1.00 0.00 H ATOM 490 HG1 THR A 31 -4.890 5.283 16.199 1.00 0.00 H ATOM 491 HG23 THR A 31 -7.033 1.828 15.524 1.00 0.00 H ATOM 492 HG21 THR A 31 -6.076 1.991 17.017 1.00 0.00 H ATOM 493 HG22 THR A 31 -7.550 2.964 16.793 1.00 0.00 H ATOM 494 H THR A 31 -4.643 4.760 13.607 1.00 0.00 H ATOM 495 N VAL A 32 -4.623 0.673 14.271 1.00 23.39 N ATOM 496 CA VAL A 32 -4.987 -0.486 13.466 1.00 23.59 C ATOM 497 C VAL A 32 -5.528 -1.587 14.356 1.00 24.50 C ATOM 498 O VAL A 32 -4.868 -2.023 15.302 1.00 27.50 O ATOM 499 CB VAL A 32 -3.774 -1.029 12.662 1.00 24.57 C ATOM 500 CG1 VAL A 32 -4.239 -2.035 11.631 1.00 18.93 C ATOM 501 CG2 VAL A 32 -3.031 0.117 11.996 1.00 27.36 C ATOM 502 HA VAL A 32 -5.753 -0.167 12.759 1.00 0.00 H ATOM 503 HB VAL A 32 -3.091 -1.530 13.348 1.00 0.00 H ATOM 504 HG11 VAL A 32 -4.736 -2.865 12.133 1.00 0.00 H ATOM 505 HG12 VAL A 32 -4.936 -1.554 10.945 1.00 0.00 H ATOM 506 HG13 VAL A 32 -3.379 -2.407 11.075 1.00 0.00 H ATOM 507 HG21 VAL A 32 -3.705 0.639 11.317 1.00 0.00 H ATOM 508 HG22 VAL A 32 -2.674 0.809 12.759 1.00 0.00 H ATOM 509 HG23 VAL A 32 -2.183 -0.278 11.436 1.00 0.00 H ATOM 510 H VAL A 32 -3.975 0.552 15.076 1.00 0.00 H ATOM 511 N LEU A 33 -6.735 -2.037 14.031 1.00 25.64 N ATOM 512 CA LEU A 33 -7.410 -3.077 14.791 1.00 24.85 C ATOM 513 C LEU A 33 -7.613 -4.357 14.003 1.00 26.71 C ATOM 514 O LEU A 33 -7.687 -4.349 12.780 1.00 26.49 O ATOM 515 CB LEU A 33 -8.778 -2.582 15.253 1.00 27.29 C ATOM 516 CG LEU A 33 -8.881 -1.306 16.086 1.00 28.80 C ATOM 517 CD1 LEU A 33 -10.352 -1.016 16.350 1.00 34.13 C ATOM 518 CD2 LEU A 33 -8.138 -1.471 17.403 1.00 28.74 C ATOM 519 HA LEU A 33 -6.762 -3.301 15.638 1.00 0.00 H ATOM 520 HB2 LEU A 33 -9.376 -2.423 14.356 1.00 0.00 H ATOM 521 HB3 LEU A 33 -9.220 -3.383 15.846 1.00 0.00 H ATOM 522 HG LEU A 33 -8.429 -0.476 15.542 1.00 0.00 H ATOM 523 HD21 LEU A 33 -8.574 -2.298 17.964 1.00 0.00 H ATOM 524 HD22 LEU A 33 -7.087 -1.681 17.202 1.00 0.00 H ATOM 525 HD23 LEU A 33 -8.222 -0.552 17.984 1.00 0.00 H ATOM 526 HD11 LEU A 33 -10.871 -0.883 15.401 1.00 0.00 H ATOM 527 HD12 LEU A 33 -10.794 -1.851 16.893 1.00 0.00 H ATOM 528 HD13 LEU A 33 -10.441 -0.107 16.944 1.00 0.00 H ATOM 529 H LEU A 33 -7.215 -1.631 13.203 1.00 0.00 H ATOM 530 N GLU A 34 -7.707 -5.460 14.734 1.00 29.24 N ATOM 531 CA GLU A 34 -7.919 -6.776 14.152 1.00 31.34 C ATOM 532 C GLU A 34 -9.282 -6.823 13.470 1.00 33.33 C ATOM 533 O GLU A 34 -10.170 -6.026 13.786 1.00 33.43 O ATOM 534 CB GLU A 34 -7.851 -7.836 15.256 1.00 33.72 C ATOM 535 CG GLU A 34 -8.863 -7.619 16.378 1.00 36.56 C ATOM 536 CD GLU A 34 -8.513 -8.370 17.647 1.00 39.33 C ATOM 537 OE1 GLU A 34 -9.222 -8.191 18.658 1.00 36.59 O ATOM 538 OE2 GLU A 34 -7.528 -9.137 17.641 1.00 41.17 O ATOM 539 HA GLU A 34 -7.145 -6.976 13.411 1.00 0.00 H ATOM 540 HB2 GLU A 34 -8.037 -8.812 14.808 1.00 0.00 H ATOM 541 HB3 GLU A 34 -6.850 -7.821 15.687 1.00 0.00 H ATOM 542 HG2 GLU A 34 -8.906 -6.554 16.605 1.00 0.00 H ATOM 543 HG3 GLU A 34 -9.841 -7.956 16.034 1.00 0.00 H ATOM 544 H GLU A 34 -7.626 -5.380 15.768 1.00 0.00 H ATOM 545 N GLU A 35 -9.439 -7.754 12.533 1.00 34.97 N ATOM 546 CA GLU A 35 -10.695 -7.913 11.806 1.00 38.29 C ATOM 547 C GLU A 35 -11.890 -7.878 12.742 1.00 38.50 C ATOM 548 O GLU A 35 -11.909 -8.554 13.774 1.00 39.09 O ATOM 549 CB GLU A 35 -10.707 -9.233 11.034 1.00 40.19 C ATOM 550 CG GLU A 35 -10.067 -9.165 9.666 1.00 42.58 C ATOM 551 CD GLU A 35 -10.788 -8.205 8.743 1.00 42.53 C ATOM 552 OE1 GLU A 35 -12.034 -8.263 8.672 1.00 41.54 O ATOM 553 OE2 GLU A 35 -10.107 -7.398 8.082 1.00 42.93 O ATOM 554 HA GLU A 35 -10.770 -7.078 11.110 1.00 0.00 H ATOM 555 HB2 GLU A 35 -10.172 -9.978 11.624 1.00 0.00 H ATOM 556 HB3 GLU A 35 -11.744 -9.546 10.910 1.00 0.00 H ATOM 557 HG2 GLU A 35 -9.034 -8.836 9.778 1.00 0.00 H ATOM 558 HG3 GLU A 35 -10.084 -10.160 9.221 1.00 0.00 H ATOM 559 H GLU A 35 -8.644 -8.387 12.312 1.00 0.00 H ATOM 560 N MET A 36 -12.886 -7.083 12.373 1.00 38.75 N ATOM 561 CA MET A 36 -14.098 -6.951 13.170 1.00 39.16 C ATOM 562 C MET A 36 -15.120 -6.167 12.355 1.00 41.35 C ATOM 563 O MET A 36 -14.779 -5.557 11.338 1.00 41.30 O ATOM 564 CB MET A 36 -13.799 -6.224 14.483 1.00 37.85 C ATOM 565 CG MET A 36 -13.344 -4.795 14.319 1.00 38.24 C ATOM 566 SD MET A 36 -13.232 -3.957 15.920 1.00 42.17 S ATOM 567 CE MET A 36 -14.949 -3.702 16.269 1.00 41.96 C ATOM 568 HA MET A 36 -14.490 -7.938 13.416 1.00 0.00 H ATOM 569 HB2 MET A 36 -14.706 -6.225 15.087 1.00 0.00 H ATOM 570 HB3 MET A 36 -13.015 -6.773 15.005 1.00 0.00 H ATOM 571 HG2 MET A 36 -14.057 -4.264 13.689 1.00 0.00 H ATOM 572 HG3 MET A 36 -12.363 -4.786 13.843 1.00 0.00 H ATOM 573 HE1 MET A 36 -15.391 -3.091 15.482 1.00 0.00 H ATOM 574 HE2 MET A 36 -15.457 -4.666 16.311 1.00 0.00 H ATOM 575 HE3 MET A 36 -15.052 -3.193 17.227 1.00 0.00 H ATOM 576 H MET A 36 -12.799 -6.539 11.491 1.00 0.00 H ATOM 577 N ASN A 37 -16.371 -6.184 12.792 1.00 43.83 N ATOM 578 CA ASN A 37 -17.418 -5.474 12.068 1.00 46.07 C ATOM 579 C ASN A 37 -17.730 -4.104 12.662 1.00 46.15 C ATOM 580 O ASN A 37 -18.211 -3.997 13.786 1.00 49.12 O ATOM 581 CB ASN A 37 -18.699 -6.309 12.052 1.00 47.36 C ATOM 582 CG ASN A 37 -18.513 -7.650 11.382 1.00 50.92 C ATOM 583 OD1 ASN A 37 -18.884 -8.690 11.937 1.00 51.14 O ATOM 584 ND2 ASN A 37 -17.947 -7.639 10.178 1.00 52.26 N ATOM 585 HA ASN A 37 -17.044 -5.318 11.056 1.00 0.00 H ATOM 586 HB2 ASN A 37 -19.021 -6.474 13.080 1.00 0.00 H ATOM 587 HB3 ASN A 37 -19.470 -5.755 11.516 1.00 0.00 H ATOM 588 HD22 ASN A 37 -17.651 -6.738 9.751 1.00 0.00 H ATOM 589 HD21 ASN A 37 -17.801 -8.531 9.664 1.00 0.00 H ATOM 590 H ASN A 37 -16.608 -6.708 13.659 1.00 0.00 H ATOM 591 N LEU A 38 -17.447 -3.051 11.911 1.00 44.84 N ATOM 592 CA LEU A 38 -17.763 -1.713 12.378 1.00 45.73 C ATOM 593 C LEU A 38 -18.809 -1.146 11.428 1.00 46.47 C ATOM 594 O LEU A 38 -18.805 -1.443 10.233 1.00 46.45 O ATOM 595 CB LEU A 38 -16.525 -0.816 12.392 1.00 43.05 C ATOM 596 CG LEU A 38 -15.496 -1.034 13.502 1.00 42.43 C ATOM 597 CD1 LEU A 38 -14.405 0.004 13.371 1.00 40.28 C ATOM 598 CD2 LEU A 38 -16.155 -0.933 14.857 1.00 40.85 C ATOM 599 HA LEU A 38 -18.135 -1.754 13.402 1.00 0.00 H ATOM 600 HB2 LEU A 38 -16.011 -0.956 11.441 1.00 0.00 H ATOM 601 HB3 LEU A 38 -16.871 0.215 12.468 1.00 0.00 H ATOM 602 HG LEU A 38 -15.065 -2.031 13.408 1.00 0.00 H ATOM 603 HD21 LEU A 38 -16.598 0.056 14.971 1.00 0.00 H ATOM 604 HD22 LEU A 38 -16.933 -1.692 14.939 1.00 0.00 H ATOM 605 HD23 LEU A 38 -15.408 -1.091 15.635 1.00 0.00 H ATOM 606 HD11 LEU A 38 -13.924 -0.097 12.398 1.00 0.00 H ATOM 607 HD12 LEU A 38 -14.840 0.999 13.462 1.00 0.00 H ATOM 608 HD13 LEU A 38 -13.667 -0.145 14.159 1.00 0.00 H ATOM 609 H LEU A 38 -16.997 -3.183 10.983 1.00 0.00 H ATOM 610 N PRO A 39 -19.731 -0.333 11.954 1.00 46.49 N ATOM 611 CA PRO A 39 -20.785 0.267 11.138 1.00 48.74 C ATOM 612 C PRO A 39 -20.269 1.447 10.326 1.00 48.35 C ATOM 613 O PRO A 39 -19.295 2.091 10.704 1.00 49.12 O ATOM 614 CB PRO A 39 -21.809 0.690 12.181 1.00 48.99 C ATOM 615 CG PRO A 39 -20.926 1.154 13.301 1.00 47.81 C ATOM 616 CD PRO A 39 -19.886 0.050 13.370 1.00 48.37 C ATOM 617 HA PRO A 39 -21.193 -0.411 10.389 1.00 0.00 H ATOM 618 HD3 PRO A 39 -18.947 0.418 13.784 1.00 0.00 H ATOM 619 HD2 PRO A 39 -20.241 -0.789 13.969 1.00 0.00 H ATOM 620 HG3 PRO A 39 -21.481 1.233 14.236 1.00 0.00 H ATOM 621 HG2 PRO A 39 -20.467 2.115 13.070 1.00 0.00 H ATOM 622 HB2 PRO A 39 -22.442 1.497 11.813 1.00 0.00 H ATOM 623 HB3 PRO A 39 -22.434 -0.149 12.488 1.00 0.00 H ATOM 624 N GLY A 40 -20.917 1.720 9.203 1.00 48.23 N ATOM 625 CA GLY A 40 -20.509 2.852 8.396 1.00 47.72 C ATOM 626 C GLY A 40 -19.855 2.540 7.069 1.00 46.80 C ATOM 627 O GLY A 40 -19.513 1.397 6.762 1.00 46.63 O ATOM 628 HA3 GLY A 40 -19.802 3.439 8.983 1.00 0.00 H ATOM 629 HA2 GLY A 40 -21.397 3.451 8.194 1.00 0.00 H ATOM 630 H GLY A 40 -21.715 1.124 8.902 1.00 0.00 H ATOM 631 N ARG A 41 -19.697 3.585 6.270 1.00 46.15 N ATOM 632 CA ARG A 41 -19.071 3.465 4.972 1.00 44.94 C ATOM 633 C ARG A 41 -17.569 3.472 5.214 1.00 45.88 C ATOM 634 O ARG A 41 -17.047 4.352 5.900 1.00 47.96 O ATOM 635 CB ARG A 41 -19.470 4.636 4.094 1.00 43.02 C ATOM 636 HA ARG A 41 -19.381 2.552 4.464 1.00 0.00 H ATOM 637 HB2 ARG A 41 -20.553 4.644 3.971 1.00 0.00 H ATOM 638 HB3 ARG A 41 -19.149 5.566 4.563 1.00 0.00 H ATOM 639 H ARG A 41 -20.033 4.518 6.585 1.00 0.00 H ATOM 640 N TRP A 42 -16.878 2.476 4.680 1.00 43.97 N ATOM 641 CA TRP A 42 -15.437 2.407 4.837 1.00 44.09 C ATOM 642 C TRP A 42 -14.786 2.470 3.463 1.00 42.95 C ATOM 643 O TRP A 42 -15.414 2.147 2.452 1.00 43.65 O ATOM 644 CB TRP A 42 -15.022 1.114 5.553 1.00 42.20 C ATOM 645 CG TRP A 42 -15.486 -0.142 4.872 1.00 40.39 C ATOM 646 CD1 TRP A 42 -16.651 -0.820 5.100 1.00 40.21 C ATOM 647 CD2 TRP A 42 -14.797 -0.865 3.844 1.00 37.41 C ATOM 648 NE1 TRP A 42 -16.725 -1.921 4.280 1.00 38.28 N ATOM 649 CE2 TRP A 42 -15.599 -1.971 3.499 1.00 37.60 C ATOM 650 CE3 TRP A 42 -13.575 -0.683 3.180 1.00 36.88 C ATOM 651 CZ2 TRP A 42 -15.221 -2.896 2.517 1.00 38.32 C ATOM 652 CZ3 TRP A 42 -13.199 -1.604 2.200 1.00 37.61 C ATOM 653 CH2 TRP A 42 -14.021 -2.695 1.881 1.00 35.78 C ATOM 654 HA TRP A 42 -15.107 3.249 5.446 1.00 0.00 H ATOM 655 HB2 TRP A 42 -13.934 1.089 5.612 1.00 0.00 H ATOM 656 HB3 TRP A 42 -15.439 1.131 6.560 1.00 0.00 H ATOM 657 HE1 TRP A 42 -17.508 -2.605 4.256 1.00 0.00 H ATOM 658 HD1 TRP A 42 -17.410 -0.530 5.826 1.00 0.00 H ATOM 659 HZ2 TRP A 42 -15.857 -3.745 2.267 1.00 0.00 H ATOM 660 HH2 TRP A 42 -13.700 -3.398 1.112 1.00 0.00 H ATOM 661 HZ3 TRP A 42 -12.253 -1.473 1.675 1.00 0.00 H ATOM 662 HE3 TRP A 42 -12.931 0.162 3.424 1.00 0.00 H ATOM 663 H TRP A 42 -17.373 1.736 4.143 1.00 0.00 H ATOM 664 N LYS A 43 -13.526 2.889 3.433 1.00 40.69 N ATOM 665 CA LYS A 43 -12.784 2.996 2.186 1.00 39.99 C ATOM 666 C LYS A 43 -11.524 2.137 2.251 1.00 39.70 C ATOM 667 O LYS A 43 -10.878 2.040 3.294 1.00 39.90 O ATOM 668 CB LYS A 43 -12.414 4.457 1.919 1.00 36.57 C ATOM 669 HA LYS A 43 -13.411 2.638 1.370 1.00 0.00 H ATOM 670 HB2 LYS A 43 -13.323 5.054 1.848 1.00 0.00 H ATOM 671 HB3 LYS A 43 -11.797 4.829 2.737 1.00 0.00 H ATOM 672 H LYS A 43 -13.057 3.148 4.325 1.00 0.00 H ATOM 673 N PRO A 44 -11.165 1.491 1.134 1.00 39.82 N ATOM 674 CA PRO A 44 -9.967 0.644 1.108 1.00 38.60 C ATOM 675 C PRO A 44 -8.713 1.504 1.237 1.00 37.36 C ATOM 676 O PRO A 44 -8.658 2.614 0.705 1.00 39.57 O ATOM 677 CB PRO A 44 -10.037 -0.029 -0.265 1.00 38.41 C ATOM 678 CG PRO A 44 -11.499 0.040 -0.630 1.00 42.10 C ATOM 679 CD PRO A 44 -11.893 1.412 -0.144 1.00 40.91 C ATOM 680 HA PRO A 44 -9.925 -0.077 1.925 1.00 0.00 H ATOM 681 HD3 PRO A 44 -11.568 2.189 -0.836 1.00 0.00 H ATOM 682 HD2 PRO A 44 -12.970 1.488 0.006 1.00 0.00 H ATOM 683 HG3 PRO A 44 -12.069 -0.737 -0.121 1.00 0.00 H ATOM 684 HG2 PRO A 44 -11.641 -0.053 -1.707 1.00 0.00 H ATOM 685 HB2 PRO A 44 -9.430 0.510 -0.992 1.00 0.00 H ATOM 686 HB3 PRO A 44 -9.700 -1.064 -0.207 1.00 0.00 H ATOM 687 N LYS A 45 -7.716 1.000 1.948 1.00 34.66 N ATOM 688 CA LYS A 45 -6.460 1.721 2.102 1.00 34.70 C ATOM 689 C LYS A 45 -5.333 0.712 2.303 1.00 35.04 C ATOM 690 O LYS A 45 -5.577 -0.470 2.561 1.00 34.81 O ATOM 691 CB LYS A 45 -6.533 2.685 3.289 1.00 33.22 C ATOM 692 HA LYS A 45 -6.268 2.310 1.205 1.00 0.00 H ATOM 693 HB2 LYS A 45 -7.335 3.404 3.123 1.00 0.00 H ATOM 694 HB3 LYS A 45 -6.731 2.122 4.201 1.00 0.00 H ATOM 695 H LYS A 45 -7.832 0.073 2.405 1.00 0.00 H ATOM 696 N MET A 46 -4.098 1.173 2.159 1.00 37.08 N ATOM 697 CA MET A 46 -2.950 0.300 2.350 1.00 37.66 C ATOM 698 C MET A 46 -1.953 0.974 3.251 1.00 35.83 C ATOM 699 O MET A 46 -1.641 2.138 3.050 1.00 37.97 O ATOM 700 CB MET A 46 -2.284 -0.028 1.017 1.00 40.24 C ATOM 701 CG MET A 46 -3.065 -1.011 0.172 1.00 45.34 C ATOM 702 SD MET A 46 -2.074 -1.645 -1.191 1.00 52.46 S ATOM 703 CE MET A 46 -1.174 -2.949 -0.368 1.00 50.90 C ATOM 704 HA MET A 46 -3.296 -0.629 2.802 1.00 0.00 H ATOM 705 HB2 MET A 46 -2.170 0.897 0.452 1.00 0.00 H ATOM 706 HB3 MET A 46 -1.301 -0.453 1.219 1.00 0.00 H ATOM 707 HG2 MET A 46 -3.944 -0.510 -0.233 1.00 0.00 H ATOM 708 HG3 MET A 46 -3.380 -1.845 0.799 1.00 0.00 H ATOM 709 HE1 MET A 46 -0.582 -2.524 0.443 1.00 0.00 H ATOM 710 HE2 MET A 46 -1.879 -3.676 0.036 1.00 0.00 H ATOM 711 HE3 MET A 46 -0.514 -3.440 -1.083 1.00 0.00 H ATOM 712 H MET A 46 -3.948 2.171 1.906 1.00 0.00 H ATOM 713 N ILE A 47 -1.469 0.251 4.254 1.00 33.89 N ATOM 714 CA ILE A 47 -0.476 0.799 5.165 1.00 33.27 C ATOM 715 C ILE A 47 0.758 -0.078 5.154 1.00 32.13 C ATOM 716 O ILE A 47 0.693 -1.253 4.809 1.00 31.98 O ATOM 717 CB ILE A 47 -0.981 0.872 6.613 1.00 38.10 C ATOM 718 CG1 ILE A 47 -1.608 -0.462 7.011 1.00 37.66 C ATOM 719 CG2 ILE A 47 -1.939 2.036 6.770 1.00 39.66 C ATOM 720 CD1 ILE A 47 -1.856 -0.579 8.487 1.00 41.37 C ATOM 721 HA ILE A 47 -0.257 1.810 4.820 1.00 0.00 H ATOM 722 HB ILE A 47 -0.146 1.051 7.290 1.00 0.00 H ATOM 723 HG12 ILE A 47 -2.559 -0.568 6.490 1.00 0.00 H ATOM 724 HG13 ILE A 47 -0.937 -1.265 6.707 1.00 0.00 H ATOM 725 HD11 ILE A 47 -0.911 -0.485 9.022 1.00 0.00 H ATOM 726 HD12 ILE A 47 -2.534 0.213 8.804 1.00 0.00 H ATOM 727 HD13 ILE A 47 -2.302 -1.550 8.703 1.00 0.00 H ATOM 728 HG21 ILE A 47 -1.425 2.964 6.522 1.00 0.00 H ATOM 729 HG22 ILE A 47 -2.788 1.899 6.100 1.00 0.00 H ATOM 730 HG23 ILE A 47 -2.291 2.079 7.801 1.00 0.00 H ATOM 731 H ILE A 47 -1.805 -0.724 4.391 1.00 0.00 H ATOM 732 N GLY A 48 1.886 0.501 5.539 1.00 32.42 N ATOM 733 CA GLY A 48 3.120 -0.255 5.556 1.00 32.17 C ATOM 734 C GLY A 48 3.628 -0.457 6.964 1.00 29.43 C ATOM 735 O GLY A 48 3.603 0.458 7.773 1.00 29.23 O ATOM 736 HA3 GLY A 48 3.873 0.284 4.982 1.00 0.00 H ATOM 737 HA2 GLY A 48 2.945 -1.229 5.099 1.00 0.00 H ATOM 738 H GLY A 48 1.885 1.500 5.829 1.00 0.00 H ATOM 739 N GLY A 49 4.065 -1.675 7.255 1.00 30.55 N ATOM 740 CA GLY A 49 4.585 -1.991 8.566 1.00 30.41 C ATOM 741 C GLY A 49 6.033 -2.404 8.429 1.00 33.06 C ATOM 742 O GLY A 49 6.665 -2.163 7.399 1.00 34.02 O ATOM 743 HA3 GLY A 49 4.010 -2.808 9.001 1.00 0.00 H ATOM 744 HA2 GLY A 49 4.513 -1.115 9.210 1.00 0.00 H ATOM 745 H GLY A 49 4.033 -2.416 6.526 1.00 0.00 H ATOM 746 N ILE A 50 6.563 -3.053 9.455 1.00 32.60 N ATOM 747 CA ILE A 50 7.951 -3.462 9.412 1.00 32.36 C ATOM 748 C ILE A 50 8.197 -4.529 8.358 1.00 30.77 C ATOM 749 O ILE A 50 9.253 -4.547 7.735 1.00 31.23 O ATOM 750 CB ILE A 50 8.431 -3.986 10.779 1.00 31.21 C ATOM 751 CG1 ILE A 50 9.950 -4.196 10.740 1.00 32.66 C ATOM 752 CG2 ILE A 50 7.720 -5.284 11.120 1.00 32.34 C ATOM 753 CD1 ILE A 50 10.545 -4.599 12.068 1.00 36.26 C ATOM 754 HA ILE A 50 8.521 -2.570 9.150 1.00 0.00 H ATOM 755 HB ILE A 50 8.195 -3.255 11.552 1.00 0.00 H ATOM 756 HG12 ILE A 50 10.170 -4.978 10.013 1.00 0.00 H ATOM 757 HG13 ILE A 50 10.418 -3.264 10.422 1.00 0.00 H ATOM 758 HD11 ILE A 50 10.344 -3.822 12.805 1.00 0.00 H ATOM 759 HD12 ILE A 50 10.097 -5.537 12.396 1.00 0.00 H ATOM 760 HD13 ILE A 50 11.622 -4.728 11.958 1.00 0.00 H ATOM 761 HG21 ILE A 50 6.645 -5.108 11.161 1.00 0.00 H ATOM 762 HG22 ILE A 50 7.938 -6.028 10.354 1.00 0.00 H ATOM 763 HG23 ILE A 50 8.068 -5.644 12.088 1.00 0.00 H ATOM 764 H ILE A 50 5.983 -3.268 10.291 1.00 0.00 H ATOM 765 N GLY A 51 7.220 -5.401 8.145 1.00 30.94 N ATOM 766 CA GLY A 51 7.400 -6.463 7.169 1.00 32.35 C ATOM 767 C GLY A 51 6.783 -6.276 5.795 1.00 32.91 C ATOM 768 O GLY A 51 6.807 -7.194 4.977 1.00 33.91 O ATOM 769 HA3 GLY A 51 6.975 -7.372 7.595 1.00 0.00 H ATOM 770 HA2 GLY A 51 8.473 -6.597 7.028 1.00 0.00 H ATOM 771 H GLY A 51 6.328 -5.325 8.675 1.00 0.00 H ATOM 772 N GLY A 52 6.227 -5.102 5.527 1.00 32.42 N ATOM 773 CA GLY A 52 5.626 -4.870 4.230 1.00 31.61 C ATOM 774 C GLY A 52 4.296 -4.148 4.336 1.00 34.63 C ATOM 775 O GLY A 52 3.952 -3.629 5.394 1.00 30.85 O ATOM 776 HA3 GLY A 52 5.466 -5.830 3.740 1.00 0.00 H ATOM 777 HA2 GLY A 52 6.307 -4.266 3.630 1.00 0.00 H ATOM 778 H GLY A 52 6.223 -4.351 6.246 1.00 0.00 H ATOM 779 N PHE A 53 3.549 -4.129 3.237 1.00 32.90 N ATOM 780 CA PHE A 53 2.258 -3.453 3.176 1.00 34.19 C ATOM 781 C PHE A 53 1.087 -4.404 3.214 1.00 33.38 C ATOM 782 O PHE A 53 1.151 -5.498 2.656 1.00 34.84 O ATOM 783 CB PHE A 53 2.151 -2.620 1.894 1.00 34.49 C ATOM 784 CG PHE A 53 2.989 -1.389 1.908 1.00 36.32 C ATOM 785 CD1 PHE A 53 4.382 -1.481 1.901 1.00 35.66 C ATOM 786 CD2 PHE A 53 2.392 -0.133 1.972 1.00 31.94 C ATOM 787 CE1 PHE A 53 5.169 -0.341 1.958 1.00 34.16 C ATOM 788 CE2 PHE A 53 3.167 1.014 2.030 1.00 37.66 C ATOM 789 CZ PHE A 53 4.564 0.912 2.024 1.00 36.64 C ATOM 790 HA PHE A 53 2.213 -2.820 4.062 1.00 0.00 H ATOM 791 HB2 PHE A 53 2.463 -3.240 1.054 1.00 0.00 H ATOM 792 HB3 PHE A 53 1.110 -2.326 1.760 1.00 0.00 H ATOM 793 HD2 PHE A 53 1.305 -0.051 1.977 1.00 0.00 H ATOM 794 HE2 PHE A 53 2.691 1.993 2.080 1.00 0.00 H ATOM 795 HZ PHE A 53 5.177 1.812 2.071 1.00 0.00 H ATOM 796 HE1 PHE A 53 6.256 -0.425 1.951 1.00 0.00 H ATOM 797 HD1 PHE A 53 4.857 -2.461 1.850 1.00 0.00 H ATOM 798 H PHE A 53 3.899 -4.615 2.387 1.00 0.00 H ATOM 799 N ILE A 54 0.012 -3.975 3.866 1.00 33.05 N ATOM 800 CA ILE A 54 -1.198 -4.777 3.949 1.00 30.52 C ATOM 801 C ILE A 54 -2.376 -3.922 3.509 1.00 30.54 C ATOM 802 O ILE A 54 -2.270 -2.696 3.430 1.00 26.07 O ATOM 803 CB ILE A 54 -1.473 -5.256 5.397 1.00 32.67 C ATOM 804 CG1 ILE A 54 -1.799 -4.052 6.291 1.00 31.10 C ATOM 805 CG2 ILE A 54 -0.259 -6.027 5.941 1.00 28.04 C ATOM 806 CD1 ILE A 54 -2.288 -4.427 7.688 1.00 30.96 C ATOM 807 HA ILE A 54 -1.068 -5.651 3.311 1.00 0.00 H ATOM 808 HB ILE A 54 -2.330 -5.929 5.395 1.00 0.00 H ATOM 809 HG12 ILE A 54 -0.898 -3.448 6.394 1.00 0.00 H ATOM 810 HG13 ILE A 54 -2.576 -3.463 5.803 1.00 0.00 H ATOM 811 HD11 ILE A 54 -3.198 -5.022 7.606 1.00 0.00 H ATOM 812 HD12 ILE A 54 -1.518 -5.007 8.198 1.00 0.00 H ATOM 813 HD13 ILE A 54 -2.496 -3.519 8.255 1.00 0.00 H ATOM 814 HG21 ILE A 54 -0.067 -6.894 5.308 1.00 0.00 H ATOM 815 HG22 ILE A 54 0.614 -5.375 5.940 1.00 0.00 H ATOM 816 HG23 ILE A 54 -0.466 -6.357 6.959 1.00 0.00 H ATOM 817 H ILE A 54 0.036 -3.044 4.328 1.00 0.00 H ATOM 818 N LYS A 55 -3.494 -4.577 3.216 1.00 32.37 N ATOM 819 CA LYS A 55 -4.709 -3.870 2.838 1.00 35.18 C ATOM 820 C LYS A 55 -5.561 -3.757 4.091 1.00 34.79 C ATOM 821 O LYS A 55 -5.675 -4.725 4.850 1.00 34.41 O ATOM 822 CB LYS A 55 -5.505 -4.650 1.798 1.00 38.86 C ATOM 823 CG LYS A 55 -5.029 -4.527 0.360 1.00 44.85 C ATOM 824 CD LYS A 55 -6.006 -5.272 -0.559 1.00 49.84 C ATOM 825 CE LYS A 55 -5.716 -5.055 -2.031 1.00 51.49 C ATOM 826 NZ LYS A 55 -6.622 -5.880 -2.874 1.00 52.83 N ATOM 827 HA LYS A 55 -4.448 -2.900 2.415 1.00 0.00 H ATOM 828 HB2 LYS A 55 -5.468 -5.704 2.072 1.00 0.00 H ATOM 829 HB3 LYS A 55 -6.537 -4.301 1.838 1.00 0.00 H ATOM 830 HG2 LYS A 55 -4.991 -3.475 0.077 1.00 0.00 H ATOM 831 HG3 LYS A 55 -4.035 -4.963 0.266 1.00 0.00 H ATOM 832 HD2 LYS A 55 -5.940 -6.339 -0.345 1.00 0.00 H ATOM 833 HD3 LYS A 55 -7.017 -4.922 -0.348 1.00 0.00 H ATOM 834 HE2 LYS A 55 -4.683 -5.334 -2.237 1.00 0.00 H ATOM 835 HE3 LYS A 55 -5.862 -4.002 -2.273 1.00 0.00 H ATOM 836 HZ1 LYS A 55 -6.483 -6.886 -2.649 1.00 0.00 H ATOM 837 HZ2 LYS A 55 -7.609 -5.614 -2.683 1.00 0.00 H ATOM 838 HZ3 LYS A 55 -6.405 -5.715 -3.878 1.00 0.00 H ATOM 839 H LYS A 55 -3.501 -5.616 3.258 1.00 0.00 H ATOM 840 N VAL A 56 -6.158 -2.587 4.313 1.00 32.18 N ATOM 841 CA VAL A 56 -7.020 -2.388 5.481 1.00 30.89 C ATOM 842 C VAL A 56 -8.296 -1.651 5.094 1.00 30.84 C ATOM 843 O VAL A 56 -8.388 -1.094 4.000 1.00 26.92 O ATOM 844 CB VAL A 56 -6.317 -1.560 6.563 1.00 24.64 C ATOM 845 CG1 VAL A 56 -5.176 -2.363 7.191 1.00 30.42 C ATOM 846 CG2 VAL A 56 -5.776 -0.289 5.949 1.00 27.70 C ATOM 847 HA VAL A 56 -7.254 -3.380 5.867 1.00 0.00 H ATOM 848 HB VAL A 56 -7.035 -1.310 7.344 1.00 0.00 H ATOM 849 HG11 VAL A 56 -5.577 -3.270 7.642 1.00 0.00 H ATOM 850 HG12 VAL A 56 -4.453 -2.628 6.420 1.00 0.00 H ATOM 851 HG13 VAL A 56 -4.688 -1.760 7.957 1.00 0.00 H ATOM 852 HG21 VAL A 56 -5.065 -0.541 5.163 1.00 0.00 H ATOM 853 HG22 VAL A 56 -6.599 0.287 5.525 1.00 0.00 H ATOM 854 HG23 VAL A 56 -5.276 0.300 6.718 1.00 0.00 H ATOM 855 H VAL A 56 -6.010 -1.802 3.647 1.00 0.00 H ATOM 856 N ARG A 57 -9.275 -1.663 5.994 1.00 32.27 N ATOM 857 CA ARG A 57 -10.530 -0.957 5.774 1.00 34.88 C ATOM 858 C ARG A 57 -10.463 0.280 6.661 1.00 35.45 C ATOM 859 O ARG A 57 -10.212 0.179 7.867 1.00 37.31 O ATOM 860 CB ARG A 57 -11.740 -1.816 6.163 1.00 34.42 C ATOM 861 CG ARG A 57 -11.782 -3.180 5.479 1.00 40.58 C ATOM 862 CD ARG A 57 -13.202 -3.759 5.399 1.00 45.60 C ATOM 863 NE ARG A 57 -13.883 -3.795 6.695 1.00 53.94 N ATOM 864 CZ ARG A 57 -13.707 -4.731 7.628 1.00 57.77 C ATOM 865 NH1 ARG A 57 -12.867 -5.741 7.424 1.00 59.51 N ATOM 866 NH2 ARG A 57 -14.367 -4.646 8.779 1.00 60.50 N ATOM 867 HA ARG A 57 -10.655 -0.708 4.720 1.00 0.00 H ATOM 868 HB2 ARG A 57 -11.715 -1.974 7.241 1.00 0.00 H ATOM 869 HB3 ARG A 57 -12.646 -1.272 5.897 1.00 0.00 H ATOM 870 HG2 ARG A 57 -11.390 -3.075 4.467 1.00 0.00 H ATOM 871 HG3 ARG A 57 -11.154 -3.872 6.041 1.00 0.00 H ATOM 872 HD2 ARG A 57 -13.141 -4.776 5.011 1.00 0.00 H ATOM 873 HD3 ARG A 57 -13.789 -3.145 4.716 1.00 0.00 H ATOM 874 HE ARG A 57 -14.557 -3.031 6.904 1.00 0.00 H ATOM 875 HH12 ARG A 57 -12.737 -6.466 8.158 1.00 0.00 H ATOM 876 HH11 ARG A 57 -12.340 -5.806 6.530 1.00 0.00 H ATOM 877 HH22 ARG A 57 -14.233 -5.374 9.510 1.00 0.00 H ATOM 878 HH21 ARG A 57 -15.017 -3.852 8.948 1.00 0.00 H ATOM 879 H ARG A 57 -9.141 -2.191 6.880 1.00 0.00 H ATOM 880 N GLN A 58 -10.666 1.449 6.064 1.00 33.67 N ATOM 881 CA GLN A 58 -10.610 2.692 6.818 1.00 34.07 C ATOM 882 C GLN A 58 -11.983 3.182 7.255 1.00 33.16 C ATOM 883 O GLN A 58 -12.880 3.347 6.432 1.00 36.14 O ATOM 884 CB GLN A 58 -9.929 3.784 5.989 1.00 32.96 C ATOM 885 CG GLN A 58 -9.775 5.106 6.725 1.00 39.76 C ATOM 886 CD GLN A 58 -9.304 6.242 5.831 1.00 40.38 C ATOM 887 OE1 GLN A 58 -8.250 6.166 5.209 1.00 42.04 O ATOM 888 NE2 GLN A 58 -10.089 7.307 5.774 1.00 43.95 N ATOM 889 HA GLN A 58 -10.032 2.481 7.718 1.00 0.00 H ATOM 890 HB2 GLN A 58 -8.938 3.432 5.704 1.00 0.00 H ATOM 891 HB3 GLN A 58 -10.524 3.957 5.092 1.00 0.00 H ATOM 892 HG2 GLN A 58 -10.740 5.379 7.152 1.00 0.00 H ATOM 893 HG3 GLN A 58 -9.049 4.973 7.527 1.00 0.00 H ATOM 894 HE22 GLN A 58 -10.975 7.330 6.318 1.00 0.00 H ATOM 895 HE21 GLN A 58 -9.819 8.121 5.185 1.00 0.00 H ATOM 896 H GLN A 58 -10.868 1.476 5.044 1.00 0.00 H ATOM 897 N TYR A 59 -12.136 3.404 8.555 1.00 32.99 N ATOM 898 CA TYR A 59 -13.380 3.927 9.115 1.00 35.16 C ATOM 899 C TYR A 59 -13.074 5.291 9.725 1.00 35.86 C ATOM 900 O TYR A 59 -12.162 5.428 10.543 1.00 34.98 O ATOM 901 CB TYR A 59 -13.934 3.017 10.208 1.00 31.95 C ATOM 902 CG TYR A 59 -14.443 1.693 9.719 1.00 35.45 C ATOM 903 CD1 TYR A 59 -13.576 0.632 9.486 1.00 37.09 C ATOM 904 CD2 TYR A 59 -15.801 1.500 9.475 1.00 38.21 C ATOM 905 CE1 TYR A 59 -14.053 -0.594 9.021 1.00 37.74 C ATOM 906 CE2 TYR A 59 -16.283 0.281 9.009 1.00 37.10 C ATOM 907 CZ TYR A 59 -15.406 -0.757 8.787 1.00 36.84 C ATOM 908 OH TYR A 59 -15.882 -1.960 8.342 1.00 43.02 O ATOM 909 HA TYR A 59 -14.125 3.992 8.322 1.00 0.00 H ATOM 910 HB3 TYR A 59 -14.756 3.537 10.700 1.00 0.00 H ATOM 911 HB2 TYR A 59 -13.140 2.830 10.931 1.00 0.00 H ATOM 912 HD2 TYR A 59 -16.498 2.319 9.652 1.00 0.00 H ATOM 913 HE2 TYR A 59 -17.348 0.148 8.821 1.00 0.00 H ATOM 914 HE1 TYR A 59 -13.363 -1.419 8.843 1.00 0.00 H ATOM 915 HD1 TYR A 59 -12.509 0.759 9.669 1.00 0.00 H ATOM 916 HH TYR A 59 -15.128 -2.592 8.234 1.00 0.00 H ATOM 917 H TYR A 59 -11.344 3.199 9.196 1.00 0.00 H ATOM 918 N ASP A 60 -13.844 6.297 9.335 1.00 38.03 N ATOM 919 CA ASP A 60 -13.636 7.646 9.845 1.00 42.25 C ATOM 920 C ASP A 60 -14.520 8.025 11.028 1.00 43.42 C ATOM 921 O ASP A 60 -15.605 7.467 11.225 1.00 43.81 O ATOM 922 CB ASP A 60 -13.844 8.662 8.725 1.00 42.40 C ATOM 923 CG ASP A 60 -12.787 8.567 7.661 1.00 43.21 C ATOM 924 OD1 ASP A 60 -11.592 8.570 8.020 1.00 44.95 O ATOM 925 OD2 ASP A 60 -13.149 8.497 6.470 1.00 49.33 O ATOM 926 HA ASP A 60 -12.610 7.660 10.213 1.00 0.00 H ATOM 927 HB2 ASP A 60 -14.818 8.485 8.268 1.00 0.00 H ATOM 928 HB3 ASP A 60 -13.821 9.664 9.153 1.00 0.00 H ATOM 929 H ASP A 60 -14.610 6.120 8.654 1.00 0.00 H ATOM 930 N GLN A 61 -14.036 8.987 11.807 1.00 42.38 N ATOM 931 CA GLN A 61 -14.755 9.485 12.963 1.00 43.12 C ATOM 932 C GLN A 61 -15.385 8.382 13.806 1.00 42.09 C ATOM 933 O GLN A 61 -16.602 8.343 13.964 1.00 41.44 O ATOM 934 CB GLN A 61 -15.854 10.454 12.514 1.00 48.14 C ATOM 935 CG GLN A 61 -15.831 11.817 13.197 1.00 54.91 C ATOM 936 CD GLN A 61 -15.080 12.868 12.392 1.00 60.32 C ATOM 937 OE1 GLN A 61 -13.848 12.829 12.279 1.00 62.41 O ATOM 938 NE2 GLN A 61 -15.826 13.814 11.817 1.00 62.72 N ATOM 939 HA GLN A 61 -14.018 9.990 13.587 1.00 0.00 H ATOM 940 HB2 GLN A 61 -15.748 10.612 11.441 1.00 0.00 H ATOM 941 HB3 GLN A 61 -16.819 9.990 12.718 1.00 0.00 H ATOM 942 HG2 GLN A 61 -16.858 12.154 13.337 1.00 0.00 H ATOM 943 HG3 GLN A 61 -15.348 11.712 14.169 1.00 0.00 H ATOM 944 HE22 GLN A 61 -16.859 13.808 11.939 1.00 0.00 H ATOM 945 HE21 GLN A 61 -15.374 14.557 11.247 1.00 0.00 H ATOM 946 H GLN A 61 -13.108 9.397 11.579 1.00 0.00 H ATOM 947 N ILE A 62 -14.565 7.485 14.345 1.00 40.64 N ATOM 948 CA ILE A 62 -15.072 6.415 15.192 1.00 38.22 C ATOM 949 C ILE A 62 -14.820 6.740 16.667 1.00 38.73 C ATOM 950 O ILE A 62 -13.711 7.107 17.047 1.00 38.61 O ATOM 951 CB ILE A 62 -14.393 5.073 14.870 1.00 40.33 C ATOM 952 CG1 ILE A 62 -14.844 4.577 13.496 1.00 44.46 C ATOM 953 CG2 ILE A 62 -14.731 4.045 15.941 1.00 41.40 C ATOM 954 CD1 ILE A 62 -16.325 4.242 13.415 1.00 48.35 C ATOM 955 HA ILE A 62 -16.142 6.331 14.999 1.00 0.00 H ATOM 956 HB ILE A 62 -13.313 5.216 14.854 1.00 0.00 H ATOM 957 HG12 ILE A 62 -14.627 5.354 12.763 1.00 0.00 H ATOM 958 HG13 ILE A 62 -14.275 3.680 13.252 1.00 0.00 H ATOM 959 HD11 ILE A 62 -16.558 3.457 14.134 1.00 0.00 H ATOM 960 HD12 ILE A 62 -16.911 5.132 13.645 1.00 0.00 H ATOM 961 HD13 ILE A 62 -16.564 3.898 12.409 1.00 0.00 H ATOM 962 HG21 ILE A 62 -14.379 4.401 16.909 1.00 0.00 H ATOM 963 HG22 ILE A 62 -15.811 3.901 15.976 1.00 0.00 H ATOM 964 HG23 ILE A 62 -14.244 3.099 15.702 1.00 0.00 H ATOM 965 H ILE A 62 -13.544 7.549 14.158 1.00 0.00 H ATOM 966 N PRO A 63 -15.857 6.626 17.512 1.00 37.68 N ATOM 967 CA PRO A 63 -15.737 6.903 18.949 1.00 35.21 C ATOM 968 C PRO A 63 -15.102 5.716 19.645 1.00 33.18 C ATOM 969 O PRO A 63 -15.567 4.586 19.512 1.00 32.93 O ATOM 970 CB PRO A 63 -17.185 7.100 19.395 1.00 36.00 C ATOM 971 CG PRO A 63 -17.866 7.551 18.143 1.00 37.73 C ATOM 972 CD PRO A 63 -17.274 6.619 17.120 1.00 38.87 C ATOM 973 HA PRO A 63 -15.112 7.765 19.182 1.00 0.00 H ATOM 974 HD3 PRO A 63 -17.704 5.620 17.193 1.00 0.00 H ATOM 975 HD2 PRO A 63 -17.410 6.999 16.107 1.00 0.00 H ATOM 976 HG3 PRO A 63 -17.632 8.591 17.916 1.00 0.00 H ATOM 977 HG2 PRO A 63 -18.947 7.430 18.213 1.00 0.00 H ATOM 978 HB2 PRO A 63 -17.613 6.166 19.759 1.00 0.00 H ATOM 979 HB3 PRO A 63 -17.255 7.859 20.174 1.00 0.00 H ATOM 980 N ILE A 64 -14.037 5.969 20.391 1.00 31.93 N ATOM 981 CA ILE A 64 -13.350 4.900 21.095 1.00 30.28 C ATOM 982 C ILE A 64 -12.931 5.383 22.476 1.00 31.93 C ATOM 983 O ILE A 64 -12.437 6.502 22.637 1.00 32.47 O ATOM 984 CB ILE A 64 -12.115 4.424 20.295 1.00 30.43 C ATOM 985 CG1 ILE A 64 -11.421 3.276 21.026 1.00 31.32 C ATOM 986 CG2 ILE A 64 -11.154 5.582 20.079 1.00 31.27 C ATOM 987 CD1 ILE A 64 -10.369 2.570 20.189 1.00 30.61 C ATOM 988 HA ILE A 64 -14.031 4.056 21.202 1.00 0.00 H ATOM 989 HB ILE A 64 -12.443 4.061 19.321 1.00 0.00 H ATOM 990 HG12 ILE A 64 -10.940 3.676 21.919 1.00 0.00 H ATOM 991 HG13 ILE A 64 -12.176 2.546 21.318 1.00 0.00 H ATOM 992 HD11 ILE A 64 -10.836 2.153 19.297 1.00 0.00 H ATOM 993 HD12 ILE A 64 -9.599 3.284 19.898 1.00 0.00 H ATOM 994 HD13 ILE A 64 -9.920 1.767 20.774 1.00 0.00 H ATOM 995 HG21 ILE A 64 -11.658 6.372 19.523 1.00 0.00 H ATOM 996 HG22 ILE A 64 -10.828 5.967 21.045 1.00 0.00 H ATOM 997 HG23 ILE A 64 -10.289 5.234 19.515 1.00 0.00 H ATOM 998 H ILE A 64 -13.688 6.945 20.474 1.00 0.00 H ATOM 999 N GLU A 65 -13.141 4.534 23.475 1.00 31.06 N ATOM 1000 CA GLU A 65 -12.811 4.866 24.840 1.00 32.83 C ATOM 1001 C GLU A 65 -11.574 4.068 25.204 1.00 32.24 C ATOM 1002 O GLU A 65 -11.554 2.847 25.077 1.00 33.78 O ATOM 1003 CB GLU A 65 -13.982 4.514 25.747 1.00 35.76 C ATOM 1004 CG GLU A 65 -13.826 4.956 27.176 1.00 45.72 C ATOM 1005 CD GLU A 65 -15.061 4.642 28.005 1.00 50.87 C ATOM 1006 OE1 GLU A 65 -16.133 5.238 27.722 1.00 47.87 O ATOM 1007 OE2 GLU A 65 -14.944 3.793 28.928 1.00 49.76 O ATOM 1008 HA GLU A 65 -12.615 5.932 24.959 1.00 0.00 H ATOM 1009 HB2 GLU A 65 -14.878 4.984 25.342 1.00 0.00 H ATOM 1010 HB3 GLU A 65 -14.105 3.431 25.738 1.00 0.00 H ATOM 1011 HG2 GLU A 65 -12.969 4.443 27.612 1.00 0.00 H ATOM 1012 HG3 GLU A 65 -13.653 6.032 27.195 1.00 0.00 H ATOM 1013 H GLU A 65 -13.555 3.603 23.268 1.00 0.00 H ATOM 1014 N ILE A 66 -10.537 4.777 25.633 1.00 32.73 N ATOM 1015 CA ILE A 66 -9.265 4.172 26.009 1.00 32.30 C ATOM 1016 C ILE A 66 -9.024 4.463 27.481 1.00 34.26 C ATOM 1017 O ILE A 66 -8.649 5.577 27.845 1.00 33.71 O ATOM 1018 CB ILE A 66 -8.136 4.778 25.164 1.00 33.32 C ATOM 1019 CG1 ILE A 66 -8.460 4.570 23.676 1.00 27.60 C ATOM 1020 CG2 ILE A 66 -6.799 4.172 25.554 1.00 27.39 C ATOM 1021 CD1 ILE A 66 -7.633 5.382 22.743 1.00 34.93 C ATOM 1022 HA ILE A 66 -9.288 3.096 25.837 1.00 0.00 H ATOM 1023 HB ILE A 66 -8.060 5.849 25.349 1.00 0.00 H ATOM 1024 HG12 ILE A 66 -8.307 3.517 23.438 1.00 0.00 H ATOM 1025 HG13 ILE A 66 -9.507 4.829 23.516 1.00 0.00 H ATOM 1026 HD11 ILE A 66 -7.782 6.441 22.955 1.00 0.00 H ATOM 1027 HD12 ILE A 66 -6.581 5.128 22.877 1.00 0.00 H ATOM 1028 HD13 ILE A 66 -7.932 5.170 21.716 1.00 0.00 H ATOM 1029 HG21 ILE A 66 -6.603 4.374 26.607 1.00 0.00 H ATOM 1030 HG22 ILE A 66 -6.828 3.095 25.389 1.00 0.00 H ATOM 1031 HG23 ILE A 66 -6.010 4.613 24.945 1.00 0.00 H ATOM 1032 H ILE A 66 -10.636 5.810 25.704 1.00 0.00 H ATOM 1033 N CYS A 67 -9.244 3.452 28.319 1.00 37.86 N ATOM 1034 CA CYS A 67 -9.095 3.591 29.765 1.00 38.92 C ATOM 1035 C CYS A 67 -9.898 4.785 30.278 1.00 39.22 C ATOM 1036 O CYS A 67 -9.372 5.641 30.985 1.00 37.66 O ATOM 1037 CB CYS A 67 -7.623 3.748 30.149 1.00 42.43 C ATOM 1038 SG CYS A 67 -6.773 2.183 30.402 1.00 50.30 S ATOM 1039 HA CYS A 67 -9.480 2.683 30.229 1.00 0.00 H ATOM 1040 HB2 CYS A 67 -7.567 4.324 31.073 1.00 0.00 H ATOM 1041 HB3 CYS A 67 -7.115 4.291 29.352 1.00 0.00 H ATOM 1042 HG CYS A 67 -5.458 2.425 30.743 1.00 0.00 H ATOM 1043 H CYS A 67 -9.532 2.531 27.930 1.00 0.00 H ATOM 1044 N GLY A 68 -11.171 4.843 29.900 1.00 40.67 N ATOM 1045 CA GLY A 68 -12.023 5.933 30.343 1.00 42.50 C ATOM 1046 C GLY A 68 -11.816 7.286 29.677 1.00 42.87 C ATOM 1047 O GLY A 68 -12.437 8.271 30.080 1.00 43.36 O ATOM 1048 HA3 GLY A 68 -11.860 6.064 31.413 1.00 0.00 H ATOM 1049 HA2 GLY A 68 -13.057 5.635 30.168 1.00 0.00 H ATOM 1050 H GLY A 68 -11.560 4.102 29.282 1.00 0.00 H ATOM 1051 N HIS A 69 -10.939 7.352 28.678 1.00 42.17 N ATOM 1052 CA HIS A 69 -10.687 8.599 27.960 1.00 40.20 C ATOM 1053 C HIS A 69 -11.291 8.474 26.566 1.00 39.01 C ATOM 1054 O HIS A 69 -11.003 7.521 25.843 1.00 39.79 O ATOM 1055 CB HIS A 69 -9.183 8.859 27.862 1.00 41.85 C ATOM 1056 CG HIS A 69 -8.560 9.286 29.152 1.00 45.55 C ATOM 1057 ND1 HIS A 69 -8.338 10.609 29.470 1.00 46.32 N ATOM 1058 CD2 HIS A 69 -8.130 8.566 30.217 1.00 45.21 C ATOM 1059 CE1 HIS A 69 -7.796 10.686 30.672 1.00 45.65 C ATOM 1060 NE2 HIS A 69 -7.660 9.460 31.147 1.00 46.27 N ATOM 1061 HA HIS A 69 -11.140 9.435 28.492 1.00 0.00 H ATOM 1062 HB2 HIS A 69 -8.696 7.941 27.532 1.00 0.00 H ATOM 1063 HB3 HIS A 69 -9.017 9.643 27.123 1.00 0.00 H ATOM 1064 HD2 HIS A 69 -8.153 7.481 30.316 1.00 0.00 H ATOM 1065 HE1 HIS A 69 -7.510 11.604 31.185 1.00 0.00 H ATOM 1066 H HIS A 69 -10.420 6.494 28.402 1.00 0.00 H ATOM 1067 N LYS A 70 -12.132 9.432 26.198 1.00 36.15 N ATOM 1068 CA LYS A 70 -12.796 9.419 24.899 1.00 36.92 C ATOM 1069 C LYS A 70 -11.984 10.033 23.758 1.00 34.63 C ATOM 1070 O LYS A 70 -11.337 11.072 23.916 1.00 33.05 O ATOM 1071 CB LYS A 70 -14.137 10.152 24.993 1.00 41.97 C ATOM 1072 CG LYS A 70 -15.304 9.313 25.481 1.00 50.87 C ATOM 1073 CD LYS A 70 -15.843 8.416 24.359 1.00 59.15 C ATOM 1074 CE LYS A 70 -17.127 7.686 24.788 1.00 61.35 C ATOM 1075 NZ LYS A 70 -17.718 6.883 23.673 1.00 61.47 N ATOM 1076 HA LYS A 70 -12.927 8.365 24.655 1.00 0.00 H ATOM 1077 HB2 LYS A 70 -14.015 10.990 25.679 1.00 0.00 H ATOM 1078 HB3 LYS A 70 -14.385 10.529 24.001 1.00 0.00 H ATOM 1079 HG2 LYS A 70 -14.972 8.687 26.310 1.00 0.00 H ATOM 1080 HG3 LYS A 70 -16.100 9.974 25.823 1.00 0.00 H ATOM 1081 HD2 LYS A 70 -16.060 9.032 23.486 1.00 0.00 H ATOM 1082 HD3 LYS A 70 -15.085 7.677 24.101 1.00 0.00 H ATOM 1083 HE2 LYS A 70 -17.859 8.425 25.116 1.00 0.00 H ATOM 1084 HE3 LYS A 70 -16.891 7.018 25.616 1.00 0.00 H ATOM 1085 HZ1 LYS A 70 -17.953 7.514 22.880 1.00 0.00 H ATOM 1086 HZ2 LYS A 70 -17.029 6.170 23.358 1.00 0.00 H ATOM 1087 HZ3 LYS A 70 -18.581 6.409 24.008 1.00 0.00 H ATOM 1088 H LYS A 70 -12.323 10.215 26.855 1.00 0.00 H ATOM 1089 N ALA A 71 -12.038 9.374 22.609 1.00 31.07 N ATOM 1090 CA ALA A 71 -11.364 9.825 21.403 1.00 29.44 C ATOM 1091 C ALA A 71 -12.311 9.536 20.254 1.00 30.28 C ATOM 1092 O ALA A 71 -13.136 8.623 20.338 1.00 32.04 O ATOM 1093 CB ALA A 71 -10.050 9.064 21.198 1.00 27.11 C ATOM 1094 HA ALA A 71 -11.119 10.885 21.468 1.00 0.00 H ATOM 1095 HB1 ALA A 71 -9.395 9.235 22.052 1.00 0.00 H ATOM 1096 HB2 ALA A 71 -10.259 7.998 21.107 1.00 0.00 H ATOM 1097 HB3 ALA A 71 -9.564 9.419 20.289 1.00 0.00 H ATOM 1098 H ALA A 71 -12.589 8.493 22.569 1.00 0.00 H ATOM 1099 N ILE A 72 -12.210 10.331 19.193 1.00 28.58 N ATOM 1100 CA ILE A 72 -13.034 10.137 18.011 1.00 28.85 C ATOM 1101 C ILE A 72 -12.127 10.375 16.812 1.00 26.17 C ATOM 1102 O ILE A 72 -11.666 11.484 16.584 1.00 28.08 O ATOM 1103 CB ILE A 72 -14.252 11.122 17.967 1.00 29.66 C ATOM 1104 CG1 ILE A 72 -15.104 10.953 19.228 1.00 25.95 C ATOM 1105 CG2 ILE A 72 -15.115 10.839 16.725 1.00 25.79 C ATOM 1106 CD1 ILE A 72 -16.321 11.855 19.278 1.00 27.29 C ATOM 1107 HA ILE A 72 -13.456 9.132 18.014 1.00 0.00 H ATOM 1108 HB ILE A 72 -13.876 12.144 17.918 1.00 0.00 H ATOM 1109 HG12 ILE A 72 -15.442 9.918 19.277 1.00 0.00 H ATOM 1110 HG13 ILE A 72 -14.480 11.171 20.095 1.00 0.00 H ATOM 1111 HD11 ILE A 72 -16.001 12.897 19.243 1.00 0.00 H ATOM 1112 HD12 ILE A 72 -16.965 11.642 18.424 1.00 0.00 H ATOM 1113 HD13 ILE A 72 -16.869 11.673 20.202 1.00 0.00 H ATOM 1114 HG21 ILE A 72 -14.512 10.974 15.827 1.00 0.00 H ATOM 1115 HG22 ILE A 72 -15.484 9.814 16.766 1.00 0.00 H ATOM 1116 HG23 ILE A 72 -15.958 11.529 16.705 1.00 0.00 H ATOM 1117 H ILE A 72 -11.524 11.112 19.209 1.00 0.00 H ATOM 1118 N GLY A 73 -11.856 9.321 16.060 1.00 24.34 N ATOM 1119 CA GLY A 73 -10.984 9.465 14.915 1.00 26.87 C ATOM 1120 C GLY A 73 -10.997 8.293 13.955 1.00 28.40 C ATOM 1121 O GLY A 73 -11.893 7.437 13.986 1.00 26.83 O ATOM 1122 HA3 GLY A 73 -9.965 9.594 15.279 1.00 0.00 H ATOM 1123 HA2 GLY A 73 -11.289 10.356 14.366 1.00 0.00 H ATOM 1124 H GLY A 73 -12.268 8.394 16.291 1.00 0.00 H ATOM 1125 N THR A 74 -9.982 8.261 13.095 1.00 29.10 N ATOM 1126 CA THR A 74 -9.829 7.219 12.089 1.00 28.45 C ATOM 1127 C THR A 74 -9.347 5.916 12.698 1.00 28.13 C ATOM 1128 O THR A 74 -8.457 5.901 13.545 1.00 27.96 O ATOM 1129 CB THR A 74 -8.816 7.646 10.990 1.00 28.31 C ATOM 1130 OG1 THR A 74 -9.245 8.875 10.400 1.00 29.60 O ATOM 1131 CG2 THR A 74 -8.719 6.578 9.896 1.00 26.60 C ATOM 1132 HA THR A 74 -10.815 7.069 11.650 1.00 0.00 H ATOM 1133 HB THR A 74 -7.837 7.769 11.453 1.00 0.00 H ATOM 1134 HG1 THR A 74 -10.140 8.751 9.995 1.00 0.00 H ATOM 1135 HG23 THR A 74 -8.392 5.636 10.337 1.00 0.00 H ATOM 1136 HG21 THR A 74 -9.697 6.444 9.433 1.00 0.00 H ATOM 1137 HG22 THR A 74 -7.999 6.897 9.142 1.00 0.00 H ATOM 1138 H THR A 74 -9.266 9.014 13.143 1.00 0.00 H ATOM 1139 N VAL A 75 -9.955 4.824 12.259 1.00 28.67 N ATOM 1140 CA VAL A 75 -9.591 3.499 12.726 1.00 30.42 C ATOM 1141 C VAL A 75 -9.468 2.591 11.512 1.00 30.82 C ATOM 1142 O VAL A 75 -10.395 2.485 10.701 1.00 32.26 O ATOM 1143 CB VAL A 75 -10.646 2.938 13.707 1.00 32.29 C ATOM 1144 CG1 VAL A 75 -10.420 1.448 13.955 1.00 31.57 C ATOM 1145 CG2 VAL A 75 -10.553 3.688 15.028 1.00 33.03 C ATOM 1146 HA VAL A 75 -8.645 3.551 13.265 1.00 0.00 H ATOM 1147 HB VAL A 75 -11.635 3.071 13.268 1.00 0.00 H ATOM 1148 HG11 VAL A 75 -10.496 0.908 13.011 1.00 0.00 H ATOM 1149 HG12 VAL A 75 -9.428 1.298 14.382 1.00 0.00 H ATOM 1150 HG13 VAL A 75 -11.175 1.078 14.648 1.00 0.00 H ATOM 1151 HG21 VAL A 75 -9.556 3.557 15.449 1.00 0.00 H ATOM 1152 HG22 VAL A 75 -10.740 4.748 14.856 1.00 0.00 H ATOM 1153 HG23 VAL A 75 -11.296 3.294 15.721 1.00 0.00 H ATOM 1154 H VAL A 75 -10.717 4.919 11.558 1.00 0.00 H ATOM 1155 N LEU A 76 -8.306 1.961 11.385 1.00 25.80 N ATOM 1156 CA LEU A 76 -8.034 1.051 10.291 1.00 23.48 C ATOM 1157 C LEU A 76 -8.233 -0.373 10.805 1.00 25.74 C ATOM 1158 O LEU A 76 -7.744 -0.731 11.878 1.00 27.58 O ATOM 1159 CB LEU A 76 -6.592 1.233 9.809 1.00 22.94 C ATOM 1160 CG LEU A 76 -6.150 2.658 9.434 1.00 25.46 C ATOM 1161 CD1 LEU A 76 -4.677 2.671 9.013 1.00 22.46 C ATOM 1162 CD2 LEU A 76 -7.021 3.185 8.308 1.00 23.86 C ATOM 1163 HA LEU A 76 -8.705 1.251 9.455 1.00 0.00 H ATOM 1164 HB2 LEU A 76 -5.934 0.884 10.605 1.00 0.00 H ATOM 1165 HB3 LEU A 76 -6.459 0.606 8.928 1.00 0.00 H ATOM 1166 HG LEU A 76 -6.263 3.302 10.306 1.00 0.00 H ATOM 1167 HD21 LEU A 76 -6.922 2.535 7.439 1.00 0.00 H ATOM 1168 HD22 LEU A 76 -8.061 3.203 8.633 1.00 0.00 H ATOM 1169 HD23 LEU A 76 -6.703 4.194 8.047 1.00 0.00 H ATOM 1170 HD11 LEU A 76 -4.061 2.315 9.839 1.00 0.00 H ATOM 1171 HD12 LEU A 76 -4.541 2.019 8.150 1.00 0.00 H ATOM 1172 HD13 LEU A 76 -4.384 3.688 8.752 1.00 0.00 H ATOM 1173 H LEU A 76 -7.565 2.127 12.096 1.00 0.00 H ATOM 1174 N VAL A 77 -8.958 -1.179 10.041 1.00 23.00 N ATOM 1175 CA VAL A 77 -9.213 -2.564 10.411 1.00 24.86 C ATOM 1176 C VAL A 77 -8.588 -3.494 9.366 1.00 25.64 C ATOM 1177 O VAL A 77 -8.789 -3.309 8.170 1.00 25.61 O ATOM 1178 CB VAL A 77 -10.739 -2.841 10.506 1.00 23.83 C ATOM 1179 CG1 VAL A 77 -10.989 -4.325 10.717 1.00 25.01 C ATOM 1180 CG2 VAL A 77 -11.342 -2.035 11.659 1.00 25.98 C ATOM 1181 HA VAL A 77 -8.767 -2.749 11.388 1.00 0.00 H ATOM 1182 HB VAL A 77 -11.214 -2.536 9.574 1.00 0.00 H ATOM 1183 HG11 VAL A 77 -10.575 -4.885 9.878 1.00 0.00 H ATOM 1184 HG12 VAL A 77 -10.509 -4.645 11.642 1.00 0.00 H ATOM 1185 HG13 VAL A 77 -12.062 -4.506 10.782 1.00 0.00 H ATOM 1186 HG21 VAL A 77 -10.863 -2.327 12.594 1.00 0.00 H ATOM 1187 HG22 VAL A 77 -11.179 -0.972 11.482 1.00 0.00 H ATOM 1188 HG23 VAL A 77 -12.412 -2.234 11.719 1.00 0.00 H ATOM 1189 H VAL A 77 -9.355 -0.812 9.153 1.00 0.00 H ATOM 1190 N GLY A 78 -7.832 -4.487 9.825 1.00 26.17 N ATOM 1191 CA GLY A 78 -7.198 -5.416 8.909 1.00 27.13 C ATOM 1192 C GLY A 78 -6.290 -6.432 9.580 1.00 32.65 C ATOM 1193 O GLY A 78 -6.251 -6.529 10.814 1.00 31.63 O ATOM 1194 HA3 GLY A 78 -6.603 -4.843 8.198 1.00 0.00 H ATOM 1195 HA2 GLY A 78 -7.979 -5.956 8.375 1.00 0.00 H ATOM 1196 H GLY A 78 -7.694 -4.599 10.850 1.00 0.00 H ATOM 1197 N PRO A 79 -5.518 -7.193 8.781 1.00 34.39 N ATOM 1198 CA PRO A 79 -4.599 -8.222 9.271 1.00 33.22 C ATOM 1199 C PRO A 79 -3.385 -7.715 10.031 1.00 34.56 C ATOM 1200 O PRO A 79 -2.277 -7.704 9.510 1.00 35.95 O ATOM 1201 CB PRO A 79 -4.216 -8.969 7.995 1.00 34.24 C ATOM 1202 CG PRO A 79 -4.200 -7.889 6.988 1.00 31.21 C ATOM 1203 CD PRO A 79 -5.447 -7.094 7.310 1.00 31.80 C ATOM 1204 HA PRO A 79 -5.077 -8.842 10.030 1.00 0.00 H ATOM 1205 HD3 PRO A 79 -5.347 -6.057 6.989 1.00 0.00 H ATOM 1206 HD2 PRO A 79 -6.327 -7.535 6.842 1.00 0.00 H ATOM 1207 HG3 PRO A 79 -4.246 -8.296 5.978 1.00 0.00 H ATOM 1208 HG2 PRO A 79 -3.307 -7.273 7.090 1.00 0.00 H ATOM 1209 HB2 PRO A 79 -3.235 -9.435 8.090 1.00 0.00 H ATOM 1210 HB3 PRO A 79 -4.956 -9.730 7.746 1.00 0.00 H ATOM 1211 N THR A 80 -3.607 -7.279 11.262 1.00 35.85 N ATOM 1212 CA THR A 80 -2.526 -6.813 12.113 1.00 31.09 C ATOM 1213 C THR A 80 -2.317 -7.925 13.141 1.00 31.44 C ATOM 1214 O THR A 80 -3.266 -8.607 13.524 1.00 29.12 O ATOM 1215 CB THR A 80 -2.897 -5.498 12.841 1.00 31.29 C ATOM 1216 OG1 THR A 80 -1.852 -5.156 13.756 1.00 28.36 O ATOM 1217 CG2 THR A 80 -4.224 -5.642 13.611 1.00 27.73 C ATOM 1218 HA THR A 80 -1.632 -6.603 11.525 1.00 0.00 H ATOM 1219 HB THR A 80 -3.019 -4.713 12.095 1.00 0.00 H ATOM 1220 HG1 THR A 80 -1.744 -5.884 14.418 1.00 0.00 H ATOM 1221 HG23 THR A 80 -5.021 -5.903 12.914 1.00 0.00 H ATOM 1222 HG21 THR A 80 -4.124 -6.427 14.361 1.00 0.00 H ATOM 1223 HG22 THR A 80 -4.463 -4.698 14.101 1.00 0.00 H ATOM 1224 H THR A 80 -4.580 -7.270 11.629 1.00 0.00 H ATOM 1225 N PRO A 81 -1.067 -8.141 13.580 1.00 32.12 N ATOM 1226 CA PRO A 81 -0.793 -9.191 14.570 1.00 30.77 C ATOM 1227 C PRO A 81 -1.362 -8.859 15.936 1.00 32.32 C ATOM 1228 O PRO A 81 -1.361 -9.691 16.839 1.00 34.79 O ATOM 1229 CB PRO A 81 0.731 -9.263 14.588 1.00 28.07 C ATOM 1230 CG PRO A 81 1.143 -7.845 14.264 1.00 29.09 C ATOM 1231 CD PRO A 81 0.183 -7.493 13.136 1.00 32.31 C ATOM 1232 HA PRO A 81 -1.262 -10.141 14.314 1.00 0.00 H ATOM 1233 HD3 PRO A 81 0.059 -6.414 13.044 1.00 0.00 H ATOM 1234 HD2 PRO A 81 0.524 -7.901 12.184 1.00 0.00 H ATOM 1235 HG3 PRO A 81 2.180 -7.798 13.932 1.00 0.00 H ATOM 1236 HG2 PRO A 81 1.007 -7.186 15.122 1.00 0.00 H ATOM 1237 HB2 PRO A 81 1.098 -9.563 15.570 1.00 0.00 H ATOM 1238 HB3 PRO A 81 1.099 -9.960 13.835 1.00 0.00 H ATOM 1239 N THR A 82 -1.854 -7.635 16.082 1.00 32.35 N ATOM 1240 CA THR A 82 -2.408 -7.194 17.352 1.00 31.14 C ATOM 1241 C THR A 82 -3.018 -5.798 17.227 1.00 30.38 C ATOM 1242 O THR A 82 -2.628 -5.012 16.361 1.00 30.44 O ATOM 1243 CB THR A 82 -1.310 -7.177 18.443 1.00 33.11 C ATOM 1244 OG1 THR A 82 -1.891 -6.845 19.711 1.00 38.21 O ATOM 1245 CG2 THR A 82 -0.251 -6.157 18.107 1.00 31.24 C ATOM 1246 HA THR A 82 -3.191 -7.897 17.636 1.00 0.00 H ATOM 1247 HB THR A 82 -0.855 -8.166 18.491 1.00 0.00 H ATOM 1248 HG1 THR A 82 -1.184 -6.836 20.404 1.00 0.00 H ATOM 1249 HG23 THR A 82 0.196 -6.403 17.144 1.00 0.00 H ATOM 1250 HG21 THR A 82 -0.705 -5.167 18.057 1.00 0.00 H ATOM 1251 HG22 THR A 82 0.519 -6.166 18.879 1.00 0.00 H ATOM 1252 H THR A 82 -1.843 -6.980 15.274 1.00 0.00 H ATOM 1253 N ASN A 83 -3.989 -5.502 18.085 1.00 28.64 N ATOM 1254 CA ASN A 83 -4.641 -4.205 18.077 1.00 27.56 C ATOM 1255 C ASN A 83 -3.672 -3.142 18.566 1.00 26.96 C ATOM 1256 O ASN A 83 -3.053 -3.308 19.615 1.00 26.08 O ATOM 1257 CB ASN A 83 -5.867 -4.218 18.994 1.00 29.69 C ATOM 1258 CG ASN A 83 -6.924 -5.209 18.542 1.00 31.74 C ATOM 1259 OD1 ASN A 83 -7.268 -5.265 17.362 1.00 32.88 O ATOM 1260 ND2 ASN A 83 -7.453 -5.988 19.482 1.00 30.00 N ATOM 1261 HA ASN A 83 -4.956 -3.982 17.058 1.00 0.00 H ATOM 1262 HB2 ASN A 83 -5.547 -4.484 20.001 1.00 0.00 H ATOM 1263 HB3 ASN A 83 -6.306 -3.220 19.005 1.00 0.00 H ATOM 1264 HD22 ASN A 83 -7.131 -5.906 20.467 1.00 0.00 H ATOM 1265 HD21 ASN A 83 -8.188 -6.679 19.231 1.00 0.00 H ATOM 1266 H ASN A 83 -4.289 -6.217 18.779 1.00 0.00 H ATOM 1267 N VAL A 84 -3.527 -2.056 17.810 1.00 23.05 N ATOM 1268 CA VAL A 84 -2.630 -0.996 18.241 1.00 22.45 C ATOM 1269 C VAL A 84 -3.244 0.391 18.140 1.00 25.00 C ATOM 1270 O VAL A 84 -3.896 0.738 17.157 1.00 26.11 O ATOM 1271 CB VAL A 84 -1.279 -1.000 17.457 1.00 24.45 C ATOM 1272 CG1 VAL A 84 -0.677 -2.382 17.498 1.00 20.91 C ATOM 1273 CG2 VAL A 84 -1.475 -0.508 16.022 1.00 21.45 C ATOM 1274 HA VAL A 84 -2.441 -1.216 19.292 1.00 0.00 H ATOM 1275 HB VAL A 84 -0.585 -0.308 17.935 1.00 0.00 H ATOM 1276 HG11 VAL A 84 -0.497 -2.668 18.534 1.00 0.00 H ATOM 1277 HG12 VAL A 84 -1.366 -3.091 17.039 1.00 0.00 H ATOM 1278 HG13 VAL A 84 0.266 -2.383 16.950 1.00 0.00 H ATOM 1279 HG21 VAL A 84 -2.179 -1.162 15.508 1.00 0.00 H ATOM 1280 HG22 VAL A 84 -1.867 0.509 16.038 1.00 0.00 H ATOM 1281 HG23 VAL A 84 -0.518 -0.522 15.501 1.00 0.00 H ATOM 1282 H VAL A 84 -4.052 -1.966 16.917 1.00 0.00 H ATOM 1283 N ILE A 85 -3.041 1.176 19.189 1.00 26.10 N ATOM 1284 CA ILE A 85 -3.544 2.530 19.222 1.00 26.01 C ATOM 1285 C ILE A 85 -2.368 3.405 18.800 1.00 27.96 C ATOM 1286 O ILE A 85 -1.326 3.420 19.472 1.00 29.10 O ATOM 1287 CB ILE A 85 -3.998 2.922 20.638 1.00 20.81 C ATOM 1288 CG1 ILE A 85 -4.984 1.889 21.181 1.00 22.81 C ATOM 1289 CG2 ILE A 85 -4.656 4.277 20.604 1.00 25.44 C ATOM 1290 CD1 ILE A 85 -6.240 1.735 20.338 1.00 21.03 C ATOM 1291 HA ILE A 85 -4.410 2.644 18.569 1.00 0.00 H ATOM 1292 HB ILE A 85 -3.125 2.957 21.290 1.00 0.00 H ATOM 1293 HG12 ILE A 85 -4.480 0.924 21.226 1.00 0.00 H ATOM 1294 HG13 ILE A 85 -5.279 2.191 22.186 1.00 0.00 H ATOM 1295 HD11 ILE A 85 -6.764 2.690 20.292 1.00 0.00 H ATOM 1296 HD12 ILE A 85 -5.964 1.421 19.331 1.00 0.00 H ATOM 1297 HD13 ILE A 85 -6.889 0.984 20.789 1.00 0.00 H ATOM 1298 HG21 ILE A 85 -3.945 5.016 20.235 1.00 0.00 H ATOM 1299 HG22 ILE A 85 -5.522 4.242 19.943 1.00 0.00 H ATOM 1300 HG23 ILE A 85 -4.976 4.550 21.610 1.00 0.00 H ATOM 1301 H ILE A 85 -2.509 0.810 20.004 1.00 0.00 H ATOM 1302 N GLY A 86 -2.527 4.116 17.685 1.00 26.24 N ATOM 1303 CA GLY A 86 -1.453 4.968 17.206 1.00 26.55 C ATOM 1304 C GLY A 86 -1.537 6.414 17.650 1.00 26.32 C ATOM 1305 O GLY A 86 -2.450 6.811 18.375 1.00 24.86 O ATOM 1306 HA3 GLY A 86 -1.465 4.947 16.116 1.00 0.00 H ATOM 1307 HA2 GLY A 86 -0.509 4.558 17.566 1.00 0.00 H ATOM 1308 H GLY A 86 -3.421 4.061 17.157 1.00 0.00 H ATOM 1309 N ARG A 87 -0.575 7.210 17.198 1.00 24.90 N ATOM 1310 CA ARG A 87 -0.519 8.623 17.542 1.00 24.42 C ATOM 1311 C ARG A 87 -1.800 9.412 17.241 1.00 24.23 C ATOM 1312 O ARG A 87 -2.128 10.350 17.974 1.00 26.33 O ATOM 1313 CB ARG A 87 0.688 9.284 16.850 1.00 21.11 C ATOM 1314 CG ARG A 87 2.040 8.686 17.286 1.00 20.81 C ATOM 1315 CD ARG A 87 3.236 9.458 16.745 1.00 20.69 C ATOM 1316 NE ARG A 87 3.261 9.440 15.285 1.00 26.19 N ATOM 1317 CZ ARG A 87 2.791 10.413 14.509 1.00 26.24 C ATOM 1318 NH1 ARG A 87 2.264 11.507 15.040 1.00 23.46 N ATOM 1319 NH2 ARG A 87 2.822 10.276 13.192 1.00 28.64 N ATOM 1320 HA ARG A 87 -0.409 8.657 18.626 1.00 0.00 H ATOM 1321 HB2 ARG A 87 0.583 9.156 15.773 1.00 0.00 H ATOM 1322 HB3 ARG A 87 0.686 10.347 17.090 1.00 0.00 H ATOM 1323 HG2 ARG A 87 2.087 8.691 18.375 1.00 0.00 H ATOM 1324 HG3 ARG A 87 2.098 7.659 16.926 1.00 0.00 H ATOM 1325 HD2 ARG A 87 4.152 9.004 17.122 1.00 0.00 H ATOM 1326 HD3 ARG A 87 3.177 10.491 17.087 1.00 0.00 H ATOM 1327 HE ARG A 87 3.675 8.608 14.819 1.00 0.00 H ATOM 1328 HH12 ARG A 87 1.900 12.261 14.423 1.00 0.00 H ATOM 1329 HH11 ARG A 87 2.215 11.612 16.074 1.00 0.00 H ATOM 1330 HH22 ARG A 87 2.456 11.034 12.582 1.00 0.00 H ATOM 1331 HH21 ARG A 87 3.213 9.410 12.768 1.00 0.00 H ATOM 1332 H ARG A 87 0.160 6.812 16.580 1.00 0.00 H ATOM 1333 N ASN A 88 -2.528 9.046 16.189 1.00 22.89 N ATOM 1334 CA ASN A 88 -3.759 9.773 15.843 1.00 25.40 C ATOM 1335 C ASN A 88 -4.770 9.830 16.999 1.00 26.62 C ATOM 1336 O ASN A 88 -5.496 10.816 17.142 1.00 29.83 O ATOM 1337 CB ASN A 88 -4.424 9.174 14.586 1.00 24.84 C ATOM 1338 CG ASN A 88 -5.006 7.786 14.821 1.00 26.47 C ATOM 1339 OD1 ASN A 88 -4.308 6.864 15.239 1.00 28.84 O ATOM 1340 ND2 ASN A 88 -6.295 7.636 14.544 1.00 24.31 N ATOM 1341 HA ASN A 88 -3.453 10.798 15.633 1.00 0.00 H ATOM 1342 HB2 ASN A 88 -5.228 9.838 14.269 1.00 0.00 H ATOM 1343 HB3 ASN A 88 -3.676 9.108 13.796 1.00 0.00 H ATOM 1344 HD22 ASN A 88 -6.849 8.443 14.192 1.00 0.00 H ATOM 1345 HD21 ASN A 88 -6.752 6.711 14.679 1.00 0.00 H ATOM 1346 H ASN A 88 -2.224 8.240 15.607 1.00 0.00 H ATOM 1347 N LEU A 89 -4.807 8.782 17.820 1.00 24.17 N ATOM 1348 CA LEU A 89 -5.709 8.723 18.967 1.00 25.72 C ATOM 1349 C LEU A 89 -4.974 9.040 20.285 1.00 27.38 C ATOM 1350 O LEU A 89 -5.559 9.568 21.234 1.00 26.95 O ATOM 1351 CB LEU A 89 -6.353 7.334 19.050 1.00 27.84 C ATOM 1352 CG LEU A 89 -7.204 6.907 17.839 1.00 30.96 C ATOM 1353 CD1 LEU A 89 -7.887 5.561 18.105 1.00 27.08 C ATOM 1354 CD2 LEU A 89 -8.251 7.984 17.557 1.00 29.43 C ATOM 1355 HA LEU A 89 -6.481 9.479 18.826 1.00 0.00 H ATOM 1356 HB2 LEU A 89 -5.554 6.603 19.170 1.00 0.00 H ATOM 1357 HB3 LEU A 89 -6.995 7.316 19.931 1.00 0.00 H ATOM 1358 HG LEU A 89 -6.556 6.791 16.970 1.00 0.00 H ATOM 1359 HD21 LEU A 89 -8.891 8.104 18.431 1.00 0.00 H ATOM 1360 HD22 LEU A 89 -7.750 8.927 17.339 1.00 0.00 H ATOM 1361 HD23 LEU A 89 -8.856 7.686 16.700 1.00 0.00 H ATOM 1362 HD11 LEU A 89 -7.128 4.800 18.289 1.00 0.00 H ATOM 1363 HD12 LEU A 89 -8.534 5.650 18.978 1.00 0.00 H ATOM 1364 HD13 LEU A 89 -8.482 5.279 17.237 1.00 0.00 H ATOM 1365 H LEU A 89 -4.172 7.979 17.638 1.00 0.00 H ATOM 1366 N LEU A 90 -3.693 8.705 20.353 1.00 24.59 N ATOM 1367 CA LEU A 90 -2.915 8.988 21.557 1.00 22.91 C ATOM 1368 C LEU A 90 -2.881 10.491 21.860 1.00 21.83 C ATOM 1369 O LEU A 90 -2.987 10.906 23.012 1.00 19.92 O ATOM 1370 CB LEU A 90 -1.489 8.443 21.403 1.00 16.46 C ATOM 1371 CG LEU A 90 -1.390 6.912 21.375 1.00 20.07 C ATOM 1372 CD1 LEU A 90 0.060 6.446 21.112 1.00 19.38 C ATOM 1373 CD2 LEU A 90 -1.888 6.382 22.693 1.00 13.22 C ATOM 1374 HA LEU A 90 -3.399 8.490 22.397 1.00 0.00 H ATOM 1375 HB2 LEU A 90 -1.076 8.828 20.470 1.00 0.00 H ATOM 1376 HB3 LEU A 90 -0.893 8.807 22.240 1.00 0.00 H ATOM 1377 HG LEU A 90 -2.001 6.524 20.560 1.00 0.00 H ATOM 1378 HD21 LEU A 90 -1.274 6.782 23.500 1.00 0.00 H ATOM 1379 HD22 LEU A 90 -2.924 6.688 22.838 1.00 0.00 H ATOM 1380 HD23 LEU A 90 -1.825 5.294 22.693 1.00 0.00 H ATOM 1381 HD11 LEU A 90 0.396 6.833 20.150 1.00 0.00 H ATOM 1382 HD12 LEU A 90 0.710 6.821 21.903 1.00 0.00 H ATOM 1383 HD13 LEU A 90 0.093 5.357 21.099 1.00 0.00 H ATOM 1384 H LEU A 90 -3.238 8.237 19.543 1.00 0.00 H ATOM 1385 N THR A 91 -2.731 11.301 20.818 1.00 20.64 N ATOM 1386 CA THR A 91 -2.701 12.746 20.967 1.00 23.54 C ATOM 1387 C THR A 91 -4.051 13.256 21.442 1.00 24.83 C ATOM 1388 O THR A 91 -4.129 14.243 22.151 1.00 23.45 O ATOM 1389 CB THR A 91 -2.388 13.447 19.628 1.00 25.13 C ATOM 1390 OG1 THR A 91 -3.344 13.027 18.638 1.00 26.67 O ATOM 1391 CG2 THR A 91 -0.971 13.113 19.166 1.00 22.81 C ATOM 1392 HA THR A 91 -1.920 12.972 21.693 1.00 0.00 H ATOM 1393 HB THR A 91 -2.456 14.526 19.766 1.00 0.00 H ATOM 1394 HG1 THR A 91 -3.145 13.475 17.778 1.00 0.00 H ATOM 1395 HG23 THR A 91 -0.257 13.436 19.924 1.00 0.00 H ATOM 1396 HG21 THR A 91 -0.883 12.037 19.017 1.00 0.00 H ATOM 1397 HG22 THR A 91 -0.765 13.629 18.228 1.00 0.00 H ATOM 1398 H THR A 91 -2.632 10.889 19.868 1.00 0.00 H ATOM 1399 N GLN A 92 -5.122 12.591 21.038 1.00 26.27 N ATOM 1400 CA GLN A 92 -6.444 13.037 21.454 1.00 29.60 C ATOM 1401 C GLN A 92 -6.653 12.892 22.957 1.00 31.96 C ATOM 1402 O GLN A 92 -7.322 13.722 23.566 1.00 33.51 O ATOM 1403 CB GLN A 92 -7.535 12.270 20.706 1.00 29.48 C ATOM 1404 CG GLN A 92 -7.786 12.785 19.300 1.00 29.68 C ATOM 1405 CD GLN A 92 -9.071 12.241 18.707 1.00 29.81 C ATOM 1406 OE1 GLN A 92 -10.036 12.002 19.425 1.00 30.30 O ATOM 1407 NE2 GLN A 92 -9.093 12.057 17.390 1.00 28.45 N ATOM 1408 HA GLN A 92 -6.511 14.096 21.206 1.00 0.00 H ATOM 1409 HB2 GLN A 92 -7.238 11.223 20.642 1.00 0.00 H ATOM 1410 HB3 GLN A 92 -8.463 12.349 21.273 1.00 0.00 H ATOM 1411 HG2 GLN A 92 -7.847 13.873 19.331 1.00 0.00 H ATOM 1412 HG3 GLN A 92 -6.953 12.487 18.664 1.00 0.00 H ATOM 1413 HE22 GLN A 92 -8.250 12.273 16.821 1.00 0.00 H ATOM 1414 HE21 GLN A 92 -9.953 11.697 16.930 1.00 0.00 H ATOM 1415 H GLN A 92 -5.020 11.755 20.427 1.00 0.00 H ATOM 1416 N ILE A 93 -6.078 11.853 23.562 1.00 31.52 N ATOM 1417 CA ILE A 93 -6.245 11.654 24.995 1.00 31.18 C ATOM 1418 C ILE A 93 -5.097 12.262 25.786 1.00 32.66 C ATOM 1419 O ILE A 93 -4.910 11.950 26.960 1.00 35.66 O ATOM 1420 CB ILE A 93 -6.378 10.158 25.360 1.00 31.94 C ATOM 1421 CG1 ILE A 93 -5.071 9.419 25.078 1.00 29.04 C ATOM 1422 CG2 ILE A 93 -7.517 9.540 24.569 1.00 32.15 C ATOM 1423 CD1 ILE A 93 -5.069 7.998 25.590 1.00 30.35 C ATOM 1424 HA ILE A 93 -7.170 12.164 25.264 1.00 0.00 H ATOM 1425 HB ILE A 93 -6.594 10.071 26.425 1.00 0.00 H ATOM 1426 HG12 ILE A 93 -4.909 9.400 24.000 1.00 0.00 H ATOM 1427 HG13 ILE A 93 -4.256 9.961 25.557 1.00 0.00 H ATOM 1428 HD11 ILE A 93 -5.220 8.002 26.670 1.00 0.00 H ATOM 1429 HD12 ILE A 93 -5.874 7.440 25.112 1.00 0.00 H ATOM 1430 HD13 ILE A 93 -4.112 7.531 25.357 1.00 0.00 H ATOM 1431 HG21 ILE A 93 -8.447 10.056 24.809 1.00 0.00 H ATOM 1432 HG22 ILE A 93 -7.312 9.636 23.503 1.00 0.00 H ATOM 1433 HG23 ILE A 93 -7.608 8.485 24.829 1.00 0.00 H ATOM 1434 H ILE A 93 -5.508 11.182 23.009 1.00 0.00 H ATOM 1435 N GLY A 94 -4.321 13.118 25.129 1.00 32.51 N ATOM 1436 CA GLY A 94 -3.220 13.798 25.787 1.00 32.62 C ATOM 1437 C GLY A 94 -2.048 12.951 26.232 1.00 32.88 C ATOM 1438 O GLY A 94 -1.395 13.272 27.215 1.00 33.04 O ATOM 1439 HA3 GLY A 94 -3.622 14.292 26.672 1.00 0.00 H ATOM 1440 HA2 GLY A 94 -2.838 14.549 25.095 1.00 0.00 H ATOM 1441 H GLY A 94 -4.506 13.305 24.123 1.00 0.00 H ATOM 1442 N CYS A 95 -1.759 11.881 25.510 1.00 31.47 N ATOM 1443 CA CYS A 95 -0.657 11.017 25.889 1.00 34.37 C ATOM 1444 C CYS A 95 0.707 11.580 25.483 1.00 32.79 C ATOM 1445 O CYS A 95 0.875 12.102 24.384 1.00 33.35 O ATOM 1446 CB CYS A 95 -0.852 9.628 25.284 1.00 35.42 C ATOM 1447 SG CYS A 95 0.292 8.442 25.963 1.00 50.26 S ATOM 1448 HA CYS A 95 -0.662 10.953 26.977 1.00 0.00 H ATOM 1449 HB2 CYS A 95 -0.700 9.688 24.206 1.00 0.00 H ATOM 1450 HB3 CYS A 95 -1.869 9.294 25.488 1.00 0.00 H ATOM 1451 HG CYS A 95 0.072 7.209 25.383 1.00 0.00 H ATOM 1452 H CYS A 95 -2.325 11.658 24.666 1.00 0.00 H ATOM 1453 N THR A 96 1.679 11.458 26.381 1.00 32.11 N ATOM 1454 CA THR A 96 3.024 11.960 26.137 1.00 32.92 C ATOM 1455 C THR A 96 4.097 10.989 26.657 1.00 32.60 C ATOM 1456 O THR A 96 3.807 10.113 27.472 1.00 36.06 O ATOM 1457 CB THR A 96 3.194 13.324 26.830 1.00 33.97 C ATOM 1458 OG1 THR A 96 4.395 13.945 26.373 1.00 42.06 O ATOM 1459 CG2 THR A 96 3.253 13.148 28.350 1.00 32.19 C ATOM 1460 HA THR A 96 3.154 12.062 25.060 1.00 0.00 H ATOM 1461 HB THR A 96 2.339 13.953 26.583 1.00 0.00 H ATOM 1462 HG1 THR A 96 4.345 14.077 25.393 1.00 0.00 H ATOM 1463 HG23 THR A 96 2.334 12.674 28.695 1.00 0.00 H ATOM 1464 HG21 THR A 96 4.107 12.522 28.609 1.00 0.00 H ATOM 1465 HG22 THR A 96 3.360 14.124 28.824 1.00 0.00 H ATOM 1466 H THR A 96 1.473 10.989 27.286 1.00 0.00 H ATOM 1467 N LEU A 97 5.324 11.125 26.168 1.00 32.31 N ATOM 1468 CA LEU A 97 6.422 10.288 26.636 1.00 34.36 C ATOM 1469 C LEU A 97 7.252 11.116 27.613 1.00 37.38 C ATOM 1470 O LEU A 97 7.488 12.306 27.395 1.00 39.25 O ATOM 1471 CB LEU A 97 7.312 9.841 25.476 1.00 35.19 C ATOM 1472 CG LEU A 97 6.778 8.699 24.609 1.00 38.44 C ATOM 1473 CD1 LEU A 97 7.583 8.602 23.327 1.00 36.46 C ATOM 1474 CD2 LEU A 97 6.816 7.399 25.395 1.00 35.31 C ATOM 1475 HA LEU A 97 6.018 9.395 27.112 1.00 0.00 H ATOM 1476 HB2 LEU A 97 7.471 10.703 24.828 1.00 0.00 H ATOM 1477 HB3 LEU A 97 8.267 9.522 25.894 1.00 0.00 H ATOM 1478 HG LEU A 97 5.742 8.897 24.336 1.00 0.00 H ATOM 1479 HD21 LEU A 97 7.844 7.182 25.687 1.00 0.00 H ATOM 1480 HD22 LEU A 97 6.197 7.497 26.287 1.00 0.00 H ATOM 1481 HD23 LEU A 97 6.435 6.589 24.773 1.00 0.00 H ATOM 1482 HD11 LEU A 97 7.502 9.539 22.777 1.00 0.00 H ATOM 1483 HD12 LEU A 97 8.628 8.411 23.569 1.00 0.00 H ATOM 1484 HD13 LEU A 97 7.195 7.786 22.717 1.00 0.00 H ATOM 1485 H LEU A 97 5.505 11.842 25.437 1.00 0.00 H ATOM 1486 N ASN A 98 7.700 10.486 28.688 1.00 37.00 N ATOM 1487 CA ASN A 98 8.490 11.188 29.677 1.00 38.10 C ATOM 1488 C ASN A 98 9.678 10.374 30.171 1.00 38.20 C ATOM 1489 O ASN A 98 9.580 9.164 30.331 1.00 38.16 O ATOM 1490 CB ASN A 98 7.600 11.556 30.863 1.00 38.77 C ATOM 1491 CG ASN A 98 6.463 12.479 30.471 1.00 42.16 C ATOM 1492 OD1 ASN A 98 6.680 13.653 30.177 1.00 43.84 O ATOM 1493 ND2 ASN A 98 5.242 11.951 30.458 1.00 44.30 N ATOM 1494 HA ASN A 98 8.889 12.082 29.198 1.00 0.00 H ATOM 1495 HB2 ASN A 98 7.180 10.642 31.282 1.00 0.00 H ATOM 1496 HB3 ASN A 98 8.210 12.053 31.617 1.00 0.00 H ATOM 1497 HD22 ASN A 98 5.105 10.952 30.714 1.00 0.00 H ATOM 1498 HD21 ASN A 98 4.425 12.537 30.192 1.00 0.00 H ATOM 1499 H ASN A 98 7.482 9.478 28.823 1.00 0.00 H ATOM 1500 N PHE A 99 10.798 11.051 30.395 1.00 41.22 N ATOM 1501 CA PHE A 99 12.002 10.421 30.934 1.00 45.60 C ATOM 1502 C PHE A 99 13.069 11.471 31.264 1.00 47.11 C ATOM 1503 O PHE A 99 12.859 12.660 30.930 1.00 45.29 O ATOM 1504 CB PHE A 99 12.580 9.397 29.957 1.00 46.22 C ATOM 1505 CG PHE A 99 13.112 9.998 28.694 1.00 48.52 C ATOM 1506 CD1 PHE A 99 12.247 10.398 27.683 1.00 48.93 C ATOM 1507 CD2 PHE A 99 14.484 10.160 28.511 1.00 49.59 C ATOM 1508 CE1 PHE A 99 12.735 10.953 26.503 1.00 49.59 C ATOM 1509 CE2 PHE A 99 14.986 10.716 27.334 1.00 49.29 C ATOM 1510 CZ PHE A 99 14.107 11.111 26.327 1.00 50.80 C ATOM 1511 HA PHE A 99 11.713 9.906 31.850 1.00 0.00 H ATOM 1512 OXT PHE A 99 14.108 11.088 31.849 1.00 49.33 O ATOM 1513 HB2 PHE A 99 13.393 8.868 30.455 1.00 0.00 H ATOM 1514 HB3 PHE A 99 11.793 8.689 29.696 1.00 0.00 H ATOM 1515 HD2 PHE A 99 15.173 9.849 29.296 1.00 0.00 H ATOM 1516 HE2 PHE A 99 16.061 10.841 27.203 1.00 0.00 H ATOM 1517 HZ PHE A 99 14.493 11.543 25.404 1.00 0.00 H ATOM 1518 HE1 PHE A 99 12.044 11.263 25.719 1.00 0.00 H ATOM 1519 HD1 PHE A 99 11.172 10.276 27.815 1.00 0.00 H ATOM 1520 H PHE A 99 10.820 12.068 30.179 1.00 0.00 H TER 1521 PHE A 99 ATOM 1522 N PRO B 1 12.885 14.864 29.706 1.00 46.47 N ATOM 1523 CA PRO B 1 12.072 15.685 28.776 1.00 47.44 C ATOM 1524 C PRO B 1 10.677 15.120 28.524 1.00 47.98 C ATOM 1525 O PRO B 1 10.392 13.959 28.833 1.00 48.27 O ATOM 1526 CB PRO B 1 12.848 15.780 27.471 1.00 46.73 C ATOM 1527 CG PRO B 1 13.726 14.528 27.545 1.00 46.70 C ATOM 1528 CD PRO B 1 14.116 14.425 29.028 1.00 46.32 C ATOM 1529 HA PRO B 1 11.908 16.664 29.226 1.00 0.00 H ATOM 1530 HD3 PRO B 1 14.373 13.401 29.299 1.00 0.00 H ATOM 1531 HD2 PRO B 1 14.953 15.083 29.263 1.00 0.00 H ATOM 1532 HG3 PRO B 1 14.612 14.639 26.919 1.00 0.00 H ATOM 1533 HG2 PRO B 1 13.169 13.646 27.230 1.00 0.00 H ATOM 1534 HB2 PRO B 1 12.182 15.749 26.609 1.00 0.00 H ATOM 1535 HB3 PRO B 1 13.451 16.687 27.431 1.00 0.00 H ATOM 1536 N GLN B 2 9.805 15.955 27.969 1.00 47.92 N ATOM 1537 CA GLN B 2 8.446 15.537 27.657 1.00 47.24 C ATOM 1538 C GLN B 2 8.238 15.625 26.156 1.00 45.44 C ATOM 1539 O GLN B 2 8.361 16.698 25.564 1.00 45.23 O ATOM 1540 CB GLN B 2 7.421 16.417 28.364 1.00 47.04 C ATOM 1541 CG GLN B 2 6.000 15.931 28.157 1.00 50.54 C ATOM 1542 CD GLN B 2 4.988 16.703 28.975 1.00 54.19 C ATOM 1543 OE1 GLN B 2 4.566 17.797 28.593 1.00 55.83 O ATOM 1544 NE2 GLN B 2 4.600 16.143 30.119 1.00 54.05 N ATOM 1545 HA GLN B 2 8.308 14.512 28.002 1.00 0.00 H ATOM 1546 HB2 GLN B 2 7.638 16.419 29.432 1.00 0.00 H ATOM 1547 HB3 GLN B 2 7.504 17.432 27.976 1.00 0.00 H ATOM 1548 HG2 GLN B 2 5.747 16.035 27.102 1.00 0.00 H ATOM 1549 HG3 GLN B 2 5.947 14.880 28.440 1.00 0.00 H ATOM 1550 HE22 GLN B 2 4.983 15.218 30.401 1.00 0.00 H ATOM 1551 HE21 GLN B 2 3.914 16.631 30.730 1.00 0.00 H ATOM 1552 H GLN B 2 10.100 16.929 27.753 1.00 0.00 H ATOM 1553 N ILE B 3 7.928 14.487 25.546 1.00 42.32 N ATOM 1554 CA ILE B 3 7.711 14.421 24.106 1.00 39.95 C ATOM 1555 C ILE B 3 6.240 14.212 23.765 1.00 38.31 C ATOM 1556 O ILE B 3 5.616 13.252 24.234 1.00 38.61 O ATOM 1557 CB ILE B 3 8.526 13.273 23.490 1.00 40.54 C ATOM 1558 CG1 ILE B 3 10.002 13.458 23.847 1.00 42.52 C ATOM 1559 CG2 ILE B 3 8.322 13.229 21.985 1.00 38.05 C ATOM 1560 CD1 ILE B 3 10.902 12.381 23.314 1.00 43.19 C ATOM 1561 HA ILE B 3 8.036 15.376 23.693 1.00 0.00 H ATOM 1562 HB ILE B 3 8.185 12.320 23.895 1.00 0.00 H ATOM 1563 HG12 ILE B 3 10.335 14.414 23.442 1.00 0.00 H ATOM 1564 HG13 ILE B 3 10.092 13.473 24.933 1.00 0.00 H ATOM 1565 HD11 ILE B 3 10.592 11.417 23.718 1.00 0.00 H ATOM 1566 HD12 ILE B 3 10.835 12.359 22.226 1.00 0.00 H ATOM 1567 HD13 ILE B 3 11.930 12.588 23.612 1.00 0.00 H ATOM 1568 HG21 ILE B 3 7.265 13.073 21.767 1.00 0.00 H ATOM 1569 HG22 ILE B 3 8.649 14.172 21.548 1.00 0.00 H ATOM 1570 HG23 ILE B 3 8.906 12.410 21.564 1.00 0.00 H ATOM 1571 H ILE B 3 7.838 13.619 26.111 1.00 0.00 H ATOM 1572 N THR B 4 5.691 15.119 22.958 1.00 36.24 N ATOM 1573 CA THR B 4 4.298 15.032 22.531 1.00 32.40 C ATOM 1574 C THR B 4 4.250 14.149 21.307 1.00 30.20 C ATOM 1575 O THR B 4 5.284 13.844 20.720 1.00 30.00 O ATOM 1576 CB THR B 4 3.727 16.389 22.170 1.00 32.41 C ATOM 1577 OG1 THR B 4 4.492 16.956 21.101 1.00 33.33 O ATOM 1578 CG2 THR B 4 3.755 17.295 23.375 1.00 32.24 C ATOM 1579 HA THR B 4 3.705 14.630 23.352 1.00 0.00 H ATOM 1580 HB THR B 4 2.692 16.276 21.847 1.00 0.00 H ATOM 1581 HG1 THR B 4 4.120 17.842 20.864 1.00 0.00 H ATOM 1582 HG23 THR B 4 3.168 16.848 24.178 1.00 0.00 H ATOM 1583 HG21 THR B 4 4.785 17.426 23.706 1.00 0.00 H ATOM 1584 HG22 THR B 4 3.331 18.264 23.110 1.00 0.00 H ATOM 1585 H THR B 4 6.273 15.913 22.622 1.00 0.00 H ATOM 1586 N LEU B 5 3.056 13.752 20.900 1.00 28.22 N ATOM 1587 CA LEU B 5 2.951 12.842 19.772 1.00 28.20 C ATOM 1588 C LEU B 5 2.342 13.398 18.490 1.00 28.15 C ATOM 1589 O LEU B 5 1.919 12.633 17.618 1.00 25.73 O ATOM 1590 CB LEU B 5 2.195 11.590 20.232 1.00 27.67 C ATOM 1591 CG LEU B 5 2.818 10.929 21.478 1.00 28.15 C ATOM 1592 CD1 LEU B 5 2.005 9.732 21.916 1.00 26.97 C ATOM 1593 CD2 LEU B 5 4.228 10.493 21.168 1.00 26.87 C ATOM 1594 HA LEU B 5 3.978 12.624 19.478 1.00 0.00 H ATOM 1595 HB2 LEU B 5 1.168 11.871 20.465 1.00 0.00 H ATOM 1596 HB3 LEU B 5 2.196 10.865 19.418 1.00 0.00 H ATOM 1597 HG LEU B 5 2.826 11.659 22.288 1.00 0.00 H ATOM 1598 HD21 LEU B 5 4.213 9.777 20.347 1.00 0.00 H ATOM 1599 HD22 LEU B 5 4.821 11.362 20.883 1.00 0.00 H ATOM 1600 HD23 LEU B 5 4.665 10.026 22.051 1.00 0.00 H ATOM 1601 HD11 LEU B 5 0.991 10.052 22.158 1.00 0.00 H ATOM 1602 HD12 LEU B 5 1.974 9.000 21.109 1.00 0.00 H ATOM 1603 HD13 LEU B 5 2.466 9.284 22.796 1.00 0.00 H ATOM 1604 H LEU B 5 2.199 14.088 21.383 1.00 0.00 H ATOM 1605 N TRP B 6 2.295 14.723 18.367 1.00 28.15 N ATOM 1606 CA TRP B 6 1.752 15.343 17.153 1.00 30.08 C ATOM 1607 C TRP B 6 2.532 14.817 15.959 1.00 29.42 C ATOM 1608 O TRP B 6 1.990 14.641 14.876 1.00 30.93 O ATOM 1609 CB TRP B 6 1.908 16.862 17.182 1.00 29.72 C ATOM 1610 CG TRP B 6 1.182 17.530 18.276 1.00 31.71 C ATOM 1611 CD1 TRP B 6 1.728 18.156 19.355 1.00 30.54 C ATOM 1612 CD2 TRP B 6 -0.234 17.659 18.407 1.00 29.43 C ATOM 1613 NE1 TRP B 6 0.738 18.670 20.153 1.00 34.37 N ATOM 1614 CE2 TRP B 6 -0.478 18.381 19.593 1.00 32.75 C ATOM 1615 CE3 TRP B 6 -1.320 17.236 17.636 1.00 30.13 C ATOM 1616 CZ2 TRP B 6 -1.770 18.693 20.030 1.00 30.34 C ATOM 1617 CZ3 TRP B 6 -2.609 17.547 18.072 1.00 33.09 C ATOM 1618 CH2 TRP B 6 -2.820 18.269 19.260 1.00 30.87 C ATOM 1619 HA TRP B 6 0.692 15.100 17.087 1.00 0.00 H ATOM 1620 HB2 TRP B 6 2.968 17.094 17.285 1.00 0.00 H ATOM 1621 HB3 TRP B 6 1.541 17.260 16.236 1.00 0.00 H ATOM 1622 HE1 TRP B 6 0.886 19.194 21.039 1.00 0.00 H ATOM 1623 HD1 TRP B 6 2.796 18.237 19.555 1.00 0.00 H ATOM 1624 HZ2 TRP B 6 -1.935 19.253 20.950 1.00 0.00 H ATOM 1625 HH2 TRP B 6 -3.839 18.496 19.574 1.00 0.00 H ATOM 1626 HZ3 TRP B 6 -3.467 17.225 17.481 1.00 0.00 H ATOM 1627 HE3 TRP B 6 -1.164 16.675 16.714 1.00 0.00 H ATOM 1628 H TRP B 6 2.647 15.324 19.139 1.00 0.00 H ATOM 1629 N LYS B 7 3.818 14.578 16.176 1.00 28.28 N ATOM 1630 CA LYS B 7 4.703 14.070 15.136 1.00 31.29 C ATOM 1631 C LYS B 7 5.405 12.820 15.680 1.00 29.73 C ATOM 1632 O LYS B 7 5.321 12.520 16.876 1.00 29.72 O ATOM 1633 CB LYS B 7 5.740 15.160 14.755 1.00 31.20 C ATOM 1634 HA LYS B 7 4.138 13.813 14.240 1.00 0.00 H ATOM 1635 HB2 LYS B 7 5.218 16.043 14.387 1.00 0.00 H ATOM 1636 HB3 LYS B 7 6.328 15.424 15.634 1.00 0.00 H ATOM 1637 H LYS B 7 4.209 14.760 17.122 1.00 0.00 H ATOM 1638 N ARG B 8 6.090 12.093 14.809 1.00 27.14 N ATOM 1639 CA ARG B 8 6.798 10.890 15.237 1.00 29.92 C ATOM 1640 C ARG B 8 7.835 11.228 16.306 1.00 28.20 C ATOM 1641 O ARG B 8 8.558 12.214 16.189 1.00 26.51 O ATOM 1642 CB ARG B 8 7.488 10.226 14.045 1.00 32.25 C ATOM 1643 CG ARG B 8 6.529 9.762 12.959 1.00 35.22 C ATOM 1644 CD ARG B 8 7.261 8.942 11.903 1.00 43.37 C ATOM 1645 NE ARG B 8 6.350 8.290 10.960 1.00 49.42 N ATOM 1646 CZ ARG B 8 6.662 7.214 10.235 1.00 55.60 C ATOM 1647 NH1 ARG B 8 7.870 6.659 10.340 1.00 55.49 N ATOM 1648 NH2 ARG B 8 5.765 6.678 9.413 1.00 53.66 N ATOM 1649 HA ARG B 8 6.068 10.199 15.659 1.00 0.00 H ATOM 1650 HB2 ARG B 8 8.183 10.943 13.607 1.00 0.00 H ATOM 1651 HB3 ARG B 8 8.042 9.360 14.407 1.00 0.00 H ATOM 1652 HG2 ARG B 8 5.748 9.149 13.410 1.00 0.00 H ATOM 1653 HG3 ARG B 8 6.077 10.633 12.485 1.00 0.00 H ATOM 1654 HD2 ARG B 8 7.851 8.175 12.404 1.00 0.00 H ATOM 1655 HD3 ARG B 8 7.925 9.603 11.346 1.00 0.00 H ATOM 1656 HE ARG B 8 5.397 8.692 10.848 1.00 0.00 H ATOM 1657 HH12 ARG B 8 8.108 5.820 9.773 1.00 0.00 H ATOM 1658 HH11 ARG B 8 8.574 7.065 10.989 1.00 0.00 H ATOM 1659 HH22 ARG B 8 6.012 5.839 8.850 1.00 0.00 H ATOM 1660 HH21 ARG B 8 4.817 7.097 9.333 1.00 0.00 H ATOM 1661 H ARG B 8 6.124 12.382 13.811 1.00 0.00 H ATOM 1662 N PRO B 9 7.892 10.430 17.386 1.00 27.62 N ATOM 1663 CA PRO B 9 8.860 10.673 18.463 1.00 28.57 C ATOM 1664 C PRO B 9 10.299 10.307 18.060 1.00 31.22 C ATOM 1665 O PRO B 9 10.870 9.332 18.564 1.00 33.94 O ATOM 1666 CB PRO B 9 8.335 9.801 19.597 1.00 25.72 C ATOM 1667 CG PRO B 9 7.722 8.632 18.855 1.00 24.31 C ATOM 1668 CD PRO B 9 6.979 9.326 17.733 1.00 23.58 C ATOM 1669 HA PRO B 9 8.934 11.726 18.734 1.00 0.00 H ATOM 1670 HD3 PRO B 9 6.829 8.657 16.886 1.00 0.00 H ATOM 1671 HD2 PRO B 9 6.014 9.703 18.072 1.00 0.00 H ATOM 1672 HG3 PRO B 9 7.040 8.070 19.494 1.00 0.00 H ATOM 1673 HG2 PRO B 9 8.490 7.962 18.467 1.00 0.00 H ATOM 1674 HB2 PRO B 9 9.144 9.473 20.249 1.00 0.00 H ATOM 1675 HB3 PRO B 9 7.586 10.330 20.187 1.00 0.00 H ATOM 1676 N LEU B 10 10.869 11.089 17.144 1.00 32.82 N ATOM 1677 CA LEU B 10 12.233 10.873 16.660 1.00 37.03 C ATOM 1678 C LEU B 10 13.260 11.479 17.600 1.00 38.37 C ATOM 1679 O LEU B 10 13.094 12.596 18.077 1.00 39.53 O ATOM 1680 CB LEU B 10 12.417 11.494 15.277 1.00 37.69 C ATOM 1681 CG LEU B 10 11.832 10.753 14.081 1.00 43.10 C ATOM 1682 CD1 LEU B 10 11.704 11.712 12.900 1.00 42.85 C ATOM 1683 CD2 LEU B 10 12.734 9.564 13.739 1.00 42.16 C ATOM 1684 HA LEU B 10 12.386 9.795 16.610 1.00 0.00 H ATOM 1685 HB2 LEU B 10 11.961 12.484 15.301 1.00 0.00 H ATOM 1686 HB3 LEU B 10 13.489 11.594 15.105 1.00 0.00 H ATOM 1687 HG LEU B 10 10.837 10.375 14.318 1.00 0.00 H ATOM 1688 HD21 LEU B 10 13.733 9.926 13.495 1.00 0.00 H ATOM 1689 HD22 LEU B 10 12.789 8.893 14.596 1.00 0.00 H ATOM 1690 HD23 LEU B 10 12.320 9.030 12.884 1.00 0.00 H ATOM 1691 HD11 LEU B 10 11.047 12.537 13.173 1.00 0.00 H ATOM 1692 HD12 LEU B 10 12.689 12.101 12.641 1.00 0.00 H ATOM 1693 HD13 LEU B 10 11.285 11.180 12.046 1.00 0.00 H ATOM 1694 H LEU B 10 10.322 11.885 16.757 1.00 0.00 H ATOM 1695 N VAL B 11 14.323 10.735 17.863 1.00 38.68 N ATOM 1696 CA VAL B 11 15.379 11.215 18.736 1.00 39.11 C ATOM 1697 C VAL B 11 16.743 10.846 18.172 1.00 40.41 C ATOM 1698 O VAL B 11 16.852 10.050 17.234 1.00 39.59 O ATOM 1699 CB VAL B 11 15.246 10.635 20.165 1.00 38.93 C ATOM 1700 CG1 VAL B 11 14.013 11.203 20.833 1.00 40.11 C ATOM 1701 CG2 VAL B 11 15.171 9.119 20.119 1.00 38.37 C ATOM 1702 HA VAL B 11 15.284 12.299 18.792 1.00 0.00 H ATOM 1703 HB VAL B 11 16.126 10.916 20.744 1.00 0.00 H ATOM 1704 HG11 VAL B 11 14.099 12.288 20.889 1.00 0.00 H ATOM 1705 HG12 VAL B 11 13.131 10.937 20.251 1.00 0.00 H ATOM 1706 HG13 VAL B 11 13.924 10.792 21.838 1.00 0.00 H ATOM 1707 HG21 VAL B 11 14.304 8.817 19.532 1.00 0.00 H ATOM 1708 HG22 VAL B 11 16.078 8.725 19.659 1.00 0.00 H ATOM 1709 HG23 VAL B 11 15.078 8.730 21.133 1.00 0.00 H ATOM 1710 H VAL B 11 14.403 9.790 17.437 1.00 0.00 H ATOM 1711 N THR B 12 17.784 11.445 18.735 1.00 42.79 N ATOM 1712 CA THR B 12 19.134 11.156 18.284 1.00 45.03 C ATOM 1713 C THR B 12 19.739 10.107 19.197 1.00 45.28 C ATOM 1714 O THR B 12 19.672 10.210 20.427 1.00 43.70 O ATOM 1715 CB THR B 12 20.021 12.412 18.289 1.00 44.52 C ATOM 1716 OG1 THR B 12 19.499 13.365 17.355 1.00 48.72 O ATOM 1717 CG2 THR B 12 21.447 12.056 17.880 1.00 46.15 C ATOM 1718 HA THR B 12 19.082 10.793 17.258 1.00 0.00 H ATOM 1719 HB THR B 12 20.028 12.832 19.295 1.00 0.00 H ATOM 1720 HG1 THR B 12 18.576 13.610 17.616 1.00 0.00 H ATOM 1721 HG23 THR B 12 21.855 11.331 18.584 1.00 0.00 H ATOM 1722 HG21 THR B 12 21.440 11.627 16.878 1.00 0.00 H ATOM 1723 HG22 THR B 12 22.061 12.956 17.887 1.00 0.00 H ATOM 1724 H THR B 12 17.632 12.127 19.505 1.00 0.00 H ATOM 1725 N ILE B 13 20.311 9.082 18.582 1.00 46.10 N ATOM 1726 CA ILE B 13 20.931 8.014 19.332 1.00 46.92 C ATOM 1727 C ILE B 13 22.366 7.851 18.870 1.00 48.78 C ATOM 1728 O ILE B 13 22.697 8.119 17.709 1.00 48.07 O ATOM 1729 CB ILE B 13 20.179 6.695 19.128 1.00 46.73 C ATOM 1730 CG1 ILE B 13 20.272 6.255 17.667 1.00 46.66 C ATOM 1731 CG2 ILE B 13 18.726 6.884 19.510 1.00 47.56 C ATOM 1732 CD1 ILE B 13 19.688 4.890 17.412 1.00 46.51 C ATOM 1733 HA ILE B 13 20.902 8.268 20.392 1.00 0.00 H ATOM 1734 HB ILE B 13 20.628 5.926 19.756 1.00 0.00 H ATOM 1735 HG12 ILE B 13 19.737 6.980 17.053 1.00 0.00 H ATOM 1736 HG13 ILE B 13 21.323 6.241 17.377 1.00 0.00 H ATOM 1737 HD11 ILE B 13 20.220 4.151 18.011 1.00 0.00 H ATOM 1738 HD12 ILE B 13 18.633 4.890 17.687 1.00 0.00 H ATOM 1739 HD13 ILE B 13 19.789 4.645 16.355 1.00 0.00 H ATOM 1740 HG21 ILE B 13 18.663 7.183 20.556 1.00 0.00 H ATOM 1741 HG22 ILE B 13 18.284 7.658 18.882 1.00 0.00 H ATOM 1742 HG23 ILE B 13 18.189 5.947 19.366 1.00 0.00 H ATOM 1743 H ILE B 13 20.314 9.046 17.543 1.00 0.00 H ATOM 1744 N ARG B 14 23.219 7.419 19.786 1.00 49.63 N ATOM 1745 CA ARG B 14 24.619 7.213 19.466 1.00 50.86 C ATOM 1746 C ARG B 14 24.961 5.737 19.602 1.00 51.64 C ATOM 1747 O ARG B 14 24.682 5.114 20.628 1.00 49.93 O ATOM 1748 CB ARG B 14 25.492 8.043 20.400 1.00 49.77 C ATOM 1749 HA ARG B 14 24.805 7.529 18.439 1.00 0.00 H ATOM 1750 HB2 ARG B 14 25.247 9.099 20.282 1.00 0.00 H ATOM 1751 HB3 ARG B 14 25.310 7.740 21.431 1.00 0.00 H ATOM 1752 H ARG B 14 22.880 7.224 20.750 1.00 0.00 H ATOM 1753 N ILE B 15 25.554 5.179 18.554 1.00 54.78 N ATOM 1754 CA ILE B 15 25.967 3.782 18.564 1.00 57.91 C ATOM 1755 C ILE B 15 27.224 3.602 17.720 1.00 60.36 C ATOM 1756 O ILE B 15 27.225 3.874 16.515 1.00 59.44 O ATOM 1757 CB ILE B 15 24.856 2.843 18.036 1.00 58.56 C ATOM 1758 CG1 ILE B 15 25.400 1.414 17.946 1.00 57.61 C ATOM 1759 CG2 ILE B 15 24.339 3.330 16.684 1.00 56.02 C ATOM 1760 CD1 ILE B 15 24.353 0.371 17.623 1.00 57.07 C ATOM 1761 HA ILE B 15 26.170 3.513 19.600 1.00 0.00 H ATOM 1762 HB ILE B 15 24.013 2.851 18.727 1.00 0.00 H ATOM 1763 HG12 ILE B 15 26.162 1.386 17.167 1.00 0.00 H ATOM 1764 HG13 ILE B 15 25.852 1.159 18.904 1.00 0.00 H ATOM 1765 HD11 ILE B 15 23.587 0.374 18.399 1.00 0.00 H ATOM 1766 HD12 ILE B 15 23.897 0.602 16.660 1.00 0.00 H ATOM 1767 HD13 ILE B 15 24.823 -0.612 17.578 1.00 0.00 H ATOM 1768 HG21 ILE B 15 23.931 4.335 16.793 1.00 0.00 H ATOM 1769 HG22 ILE B 15 25.160 3.346 15.967 1.00 0.00 H ATOM 1770 HG23 ILE B 15 23.559 2.656 16.331 1.00 0.00 H ATOM 1771 H ILE B 15 25.728 5.753 17.705 1.00 0.00 H ATOM 1772 N GLY B 16 28.295 3.153 18.373 1.00 62.91 N ATOM 1773 CA GLY B 16 29.556 2.942 17.687 1.00 62.98 C ATOM 1774 C GLY B 16 30.027 4.196 16.983 1.00 64.34 C ATOM 1775 O GLY B 16 30.366 4.170 15.798 1.00 66.25 O ATOM 1776 HA3 GLY B 16 29.429 2.149 16.950 1.00 0.00 H ATOM 1777 HA2 GLY B 16 30.309 2.642 18.416 1.00 0.00 H ATOM 1778 H GLY B 16 28.226 2.951 19.391 1.00 0.00 H ATOM 1779 N GLY B 17 30.037 5.305 17.711 1.00 64.39 N ATOM 1780 CA GLY B 17 30.476 6.556 17.128 1.00 64.25 C ATOM 1781 C GLY B 17 29.511 7.122 16.114 1.00 66.44 C ATOM 1782 O GLY B 17 29.661 8.264 15.676 1.00 67.07 O ATOM 1783 HA3 GLY B 17 31.435 6.390 16.636 1.00 0.00 H ATOM 1784 HA2 GLY B 17 30.601 7.285 17.929 1.00 0.00 H ATOM 1785 H GLY B 17 29.729 5.276 18.704 1.00 0.00 H ATOM 1786 N GLN B 18 28.515 6.326 15.737 1.00 67.30 N ATOM 1787 CA GLN B 18 27.521 6.777 14.777 1.00 66.51 C ATOM 1788 C GLN B 18 26.283 7.329 15.469 1.00 64.95 C ATOM 1789 O GLN B 18 25.787 6.757 16.441 1.00 65.38 O ATOM 1790 CB GLN B 18 27.109 5.638 13.855 1.00 69.39 C ATOM 1791 CG GLN B 18 28.247 5.019 13.093 1.00 71.75 C ATOM 1792 CD GLN B 18 27.754 4.260 11.889 1.00 73.28 C ATOM 1793 OE1 GLN B 18 27.796 4.763 10.766 1.00 75.27 O ATOM 1794 NE2 GLN B 18 27.262 3.047 12.115 1.00 76.22 N ATOM 1795 HA GLN B 18 27.980 7.575 14.193 1.00 0.00 H ATOM 1796 HB2 GLN B 18 26.640 4.862 14.459 1.00 0.00 H ATOM 1797 HB3 GLN B 18 26.386 6.024 13.136 1.00 0.00 H ATOM 1798 HG2 GLN B 18 28.924 5.807 12.763 1.00 0.00 H ATOM 1799 HG3 GLN B 18 28.783 4.334 13.750 1.00 0.00 H ATOM 1800 HE22 GLN B 18 27.247 2.664 13.082 1.00 0.00 H ATOM 1801 HE21 GLN B 18 26.891 2.481 11.325 1.00 0.00 H ATOM 1802 H GLN B 18 28.446 5.367 16.134 1.00 0.00 H ATOM 1803 N LEU B 19 25.796 8.452 14.960 1.00 62.88 N ATOM 1804 CA LEU B 19 24.608 9.092 15.502 1.00 60.57 C ATOM 1805 C LEU B 19 23.499 8.897 14.478 1.00 58.65 C ATOM 1806 O LEU B 19 23.695 9.158 13.287 1.00 58.51 O ATOM 1807 CB LEU B 19 24.872 10.580 15.735 1.00 59.25 C ATOM 1808 CG LEU B 19 26.054 10.897 16.656 1.00 60.51 C ATOM 1809 CD1 LEU B 19 26.177 12.397 16.830 1.00 60.19 C ATOM 1810 CD2 LEU B 19 25.846 10.230 18.002 1.00 61.42 C ATOM 1811 HA LEU B 19 24.328 8.657 16.461 1.00 0.00 H ATOM 1812 HB2 LEU B 19 25.064 11.044 14.768 1.00 0.00 H ATOM 1813 HB3 LEU B 19 23.975 11.017 16.174 1.00 0.00 H ATOM 1814 HG LEU B 19 26.973 10.516 16.211 1.00 0.00 H ATOM 1815 HD21 LEU B 19 24.926 10.603 18.452 1.00 0.00 H ATOM 1816 HD22 LEU B 19 25.774 9.151 17.864 1.00 0.00 H ATOM 1817 HD23 LEU B 19 26.689 10.459 18.654 1.00 0.00 H ATOM 1818 HD11 LEU B 19 26.340 12.862 15.858 1.00 0.00 H ATOM 1819 HD12 LEU B 19 25.260 12.787 17.271 1.00 0.00 H ATOM 1820 HD13 LEU B 19 27.019 12.618 17.486 1.00 0.00 H ATOM 1821 H LEU B 19 26.278 8.889 14.148 1.00 0.00 H ATOM 1822 N LYS B 20 22.343 8.425 14.938 1.00 55.04 N ATOM 1823 CA LYS B 20 21.218 8.179 14.044 1.00 52.47 C ATOM 1824 C LYS B 20 19.901 8.655 14.624 1.00 50.17 C ATOM 1825 O LYS B 20 19.787 8.903 15.824 1.00 48.60 O ATOM 1826 CB LYS B 20 21.111 6.684 13.731 1.00 52.73 C ATOM 1827 CG LYS B 20 22.336 6.110 13.048 1.00 56.43 C ATOM 1828 CD LYS B 20 22.203 4.616 12.809 1.00 57.59 C ATOM 1829 CE LYS B 20 23.439 4.063 12.108 1.00 58.97 C ATOM 1830 NZ LYS B 20 23.648 4.696 10.769 1.00 59.09 N ATOM 1831 HA LYS B 20 21.410 8.747 13.134 1.00 0.00 H ATOM 1832 HB2 LYS B 20 20.957 6.147 14.667 1.00 0.00 H ATOM 1833 HB3 LYS B 20 20.251 6.530 13.079 1.00 0.00 H ATOM 1834 HG2 LYS B 20 22.472 6.610 12.089 1.00 0.00 H ATOM 1835 HG3 LYS B 20 23.208 6.290 13.677 1.00 0.00 H ATOM 1836 HD2 LYS B 20 22.080 4.111 13.767 1.00 0.00 H ATOM 1837 HD3 LYS B 20 21.327 4.431 12.187 1.00 0.00 H ATOM 1838 HE2 LYS B 20 23.318 2.988 11.975 1.00 0.00 H ATOM 1839 HE3 LYS B 20 24.313 4.255 12.730 1.00 0.00 H ATOM 1840 HZ1 LYS B 20 22.820 4.512 10.167 1.00 0.00 H ATOM 1841 HZ2 LYS B 20 23.771 5.722 10.887 1.00 0.00 H ATOM 1842 HZ3 LYS B 20 24.498 4.293 10.325 1.00 0.00 H ATOM 1843 H LYS B 20 22.240 8.228 15.954 1.00 0.00 H ATOM 1844 N GLU B 21 18.908 8.782 13.751 1.00 49.05 N ATOM 1845 CA GLU B 21 17.574 9.202 14.158 1.00 47.78 C ATOM 1846 C GLU B 21 16.787 7.928 14.437 1.00 44.78 C ATOM 1847 O GLU B 21 16.739 7.032 13.597 1.00 46.02 O ATOM 1848 CB GLU B 21 16.908 10.002 13.041 1.00 47.39 C ATOM 1849 HA GLU B 21 17.613 9.842 15.040 1.00 0.00 H ATOM 1850 HB2 GLU B 21 17.508 10.885 12.820 1.00 0.00 H ATOM 1851 HB3 GLU B 21 16.830 9.382 12.148 1.00 0.00 H ATOM 1852 H GLU B 21 19.088 8.576 12.748 1.00 0.00 H ATOM 1853 N ALA B 22 16.193 7.834 15.618 1.00 40.92 N ATOM 1854 CA ALA B 22 15.424 6.649 15.965 1.00 39.68 C ATOM 1855 C ALA B 22 14.094 6.999 16.623 1.00 39.36 C ATOM 1856 O ALA B 22 13.956 8.012 17.319 1.00 37.58 O ATOM 1857 CB ALA B 22 16.233 5.743 16.876 1.00 39.08 C ATOM 1858 HA ALA B 22 15.202 6.125 15.036 1.00 0.00 H ATOM 1859 HB1 ALA B 22 17.146 5.438 16.365 1.00 0.00 H ATOM 1860 HB2 ALA B 22 16.488 6.282 17.789 1.00 0.00 H ATOM 1861 HB3 ALA B 22 15.643 4.861 17.126 1.00 0.00 H ATOM 1862 H ALA B 22 16.277 8.613 16.302 1.00 0.00 H ATOM 1863 N LEU B 23 13.124 6.126 16.405 1.00 36.77 N ATOM 1864 CA LEU B 23 11.784 6.294 16.929 1.00 33.55 C ATOM 1865 C LEU B 23 11.643 5.694 18.329 1.00 31.53 C ATOM 1866 O LEU B 23 12.062 4.557 18.558 1.00 28.88 O ATOM 1867 CB LEU B 23 10.811 5.602 15.973 1.00 34.15 C ATOM 1868 CG LEU B 23 9.398 6.130 15.783 1.00 37.00 C ATOM 1869 CD1 LEU B 23 9.447 7.600 15.411 1.00 39.15 C ATOM 1870 CD2 LEU B 23 8.716 5.330 14.685 1.00 37.24 C ATOM 1871 HA LEU B 23 11.566 7.359 17.008 1.00 0.00 H ATOM 1872 HB2 LEU B 23 11.281 5.611 14.990 1.00 0.00 H ATOM 1873 HB3 LEU B 23 10.715 4.573 16.318 1.00 0.00 H ATOM 1874 HG LEU B 23 8.834 6.025 16.710 1.00 0.00 H ATOM 1875 HD21 LEU B 23 9.278 5.437 13.757 1.00 0.00 H ATOM 1876 HD22 LEU B 23 8.682 4.279 14.971 1.00 0.00 H ATOM 1877 HD23 LEU B 23 7.702 5.703 14.542 1.00 0.00 H ATOM 1878 HD11 LEU B 23 9.938 8.159 16.208 1.00 0.00 H ATOM 1879 HD12 LEU B 23 10.006 7.720 14.483 1.00 0.00 H ATOM 1880 HD13 LEU B 23 8.432 7.973 15.276 1.00 0.00 H ATOM 1881 H LEU B 23 13.333 5.283 15.833 1.00 0.00 H ATOM 1882 N LEU B 24 11.078 6.460 19.265 1.00 28.17 N ATOM 1883 CA LEU B 24 10.833 5.941 20.609 1.00 27.69 C ATOM 1884 C LEU B 24 9.542 5.153 20.410 1.00 28.44 C ATOM 1885 O LEU B 24 8.501 5.728 20.099 1.00 27.84 O ATOM 1886 CB LEU B 24 10.619 7.071 21.611 1.00 27.92 C ATOM 1887 CG LEU B 24 11.820 8.011 21.780 1.00 32.15 C ATOM 1888 CD1 LEU B 24 11.505 9.036 22.838 1.00 27.68 C ATOM 1889 CD2 LEU B 24 13.078 7.236 22.151 1.00 30.73 C ATOM 1890 HA LEU B 24 11.661 5.355 21.007 1.00 0.00 H ATOM 1891 HB2 LEU B 24 9.767 7.664 21.278 1.00 0.00 H ATOM 1892 HB3 LEU B 24 10.395 6.628 22.581 1.00 0.00 H ATOM 1893 HG LEU B 24 12.009 8.512 20.830 1.00 0.00 H ATOM 1894 HD21 LEU B 24 12.914 6.708 23.090 1.00 0.00 H ATOM 1895 HD22 LEU B 24 13.306 6.517 21.364 1.00 0.00 H ATOM 1896 HD23 LEU B 24 13.911 7.930 22.264 1.00 0.00 H ATOM 1897 HD11 LEU B 24 10.630 9.612 22.535 1.00 0.00 H ATOM 1898 HD12 LEU B 24 11.301 8.531 23.782 1.00 0.00 H ATOM 1899 HD13 LEU B 24 12.357 9.705 22.959 1.00 0.00 H ATOM 1900 H LEU B 24 10.809 7.438 19.035 1.00 0.00 H ATOM 1901 N ASP B 25 9.610 3.842 20.599 1.00 25.26 N ATOM 1902 CA ASP B 25 8.461 3.005 20.327 1.00 25.09 C ATOM 1903 C ASP B 25 8.041 2.049 21.431 1.00 25.71 C ATOM 1904 O ASP B 25 8.631 0.981 21.613 1.00 26.06 O ATOM 1905 CB ASP B 25 8.749 2.230 19.045 1.00 23.95 C ATOM 1906 CG ASP B 25 7.524 1.563 18.468 1.00 27.22 C ATOM 1907 OD1 ASP B 25 7.675 0.938 17.401 1.00 29.78 O ATOM 1908 OD2 ASP B 25 6.427 1.659 19.063 1.00 30.41 O ATOM 1909 HA ASP B 25 7.609 3.679 20.238 1.00 0.00 H ATOM 1910 HB2 ASP B 25 9.149 2.922 18.304 1.00 0.00 H ATOM 1911 HB3 ASP B 25 9.492 1.463 19.263 1.00 0.00 H ATOM 1912 H ASP B 25 10.493 3.414 20.944 1.00 0.00 H ATOM 1913 N THR B 26 6.996 2.438 22.145 1.00 23.52 N ATOM 1914 CA THR B 26 6.449 1.636 23.223 1.00 25.80 C ATOM 1915 C THR B 26 5.827 0.347 22.658 1.00 27.48 C ATOM 1916 O THR B 26 5.569 -0.608 23.398 1.00 26.70 O ATOM 1917 CB THR B 26 5.356 2.415 23.969 1.00 23.31 C ATOM 1918 OG1 THR B 26 4.340 2.801 23.037 1.00 27.07 O ATOM 1919 CG2 THR B 26 5.938 3.663 24.625 1.00 20.95 C ATOM 1920 HA THR B 26 7.260 1.392 23.909 1.00 0.00 H ATOM 1921 HB THR B 26 4.934 1.777 24.746 1.00 0.00 H ATOM 1922 HG1 THR B 26 3.950 1.991 22.622 1.00 0.00 H ATOM 1923 HG23 THR B 26 6.712 3.371 25.335 1.00 0.00 H ATOM 1924 HG21 THR B 26 6.370 4.307 23.859 1.00 0.00 H ATOM 1925 HG22 THR B 26 5.147 4.200 25.148 1.00 0.00 H ATOM 1926 H THR B 26 6.551 3.352 21.925 1.00 0.00 H ATOM 1927 N GLY B 27 5.586 0.339 21.350 1.00 27.28 N ATOM 1928 CA GLY B 27 4.990 -0.815 20.697 1.00 28.16 C ATOM 1929 C GLY B 27 5.992 -1.887 20.294 1.00 29.61 C ATOM 1930 O GLY B 27 5.610 -3.015 19.968 1.00 29.95 O ATOM 1931 HA3 GLY B 27 4.475 -0.473 19.799 1.00 0.00 H ATOM 1932 HA2 GLY B 27 4.268 -1.261 21.381 1.00 0.00 H ATOM 1933 H GLY B 27 5.829 1.176 20.782 1.00 0.00 H ATOM 1934 N ALA B 28 7.273 -1.535 20.314 1.00 27.18 N ATOM 1935 CA ALA B 28 8.324 -2.479 19.965 1.00 29.04 C ATOM 1936 C ALA B 28 8.896 -3.102 21.238 1.00 29.34 C ATOM 1937 O ALA B 28 9.376 -2.383 22.124 1.00 28.63 O ATOM 1938 CB ALA B 28 9.424 -1.772 19.200 1.00 22.26 C ATOM 1939 HA ALA B 28 7.905 -3.264 19.335 1.00 0.00 H ATOM 1940 HB1 ALA B 28 9.011 -1.341 18.288 1.00 0.00 H ATOM 1941 HB2 ALA B 28 9.844 -0.980 19.820 1.00 0.00 H ATOM 1942 HB3 ALA B 28 10.205 -2.488 18.944 1.00 0.00 H ATOM 1943 H ALA B 28 7.530 -0.564 20.585 1.00 0.00 H ATOM 1944 N ASP B 29 8.834 -4.430 21.341 1.00 30.39 N ATOM 1945 CA ASP B 29 9.373 -5.116 22.519 1.00 32.29 C ATOM 1946 C ASP B 29 10.884 -4.955 22.560 1.00 31.77 C ATOM 1947 O ASP B 29 11.468 -4.724 23.620 1.00 34.21 O ATOM 1948 CB ASP B 29 9.049 -6.612 22.495 1.00 34.19 C ATOM 1949 CG ASP B 29 7.571 -6.894 22.589 1.00 35.27 C ATOM 1950 OD1 ASP B 29 6.880 -6.246 23.391 1.00 37.75 O ATOM 1951 OD2 ASP B 29 7.098 -7.781 21.864 1.00 42.56 O ATOM 1952 HA ASP B 29 8.912 -4.668 23.399 1.00 0.00 H ATOM 1953 HB2 ASP B 29 9.425 -7.035 21.564 1.00 0.00 H ATOM 1954 HB3 ASP B 29 9.549 -7.090 23.338 1.00 0.00 H ATOM 1955 H ASP B 29 8.398 -4.985 20.577 1.00 0.00 H ATOM 1956 N ASP B 30 11.513 -5.085 21.397 1.00 32.18 N ATOM 1957 CA ASP B 30 12.959 -4.959 21.294 1.00 34.95 C ATOM 1958 C ASP B 30 13.379 -3.920 20.284 1.00 33.89 C ATOM 1959 O ASP B 30 12.618 -3.547 19.398 1.00 35.58 O ATOM 1960 CB ASP B 30 13.586 -6.301 20.938 1.00 39.66 C ATOM 1961 CG ASP B 30 13.597 -7.249 22.106 1.00 43.48 C ATOM 1962 OD1 ASP B 30 14.229 -6.906 23.131 1.00 43.49 O ATOM 1963 OD2 ASP B 30 12.969 -8.324 22.002 1.00 46.75 O ATOM 1964 HA ASP B 30 13.315 -4.632 22.271 1.00 0.00 H ATOM 1965 HB2 ASP B 30 13.016 -6.751 20.125 1.00 0.00 H ATOM 1966 HB3 ASP B 30 14.612 -6.134 20.611 1.00 0.00 H ATOM 1967 H ASP B 30 10.958 -5.282 20.539 1.00 0.00 H ATOM 1968 N THR B 31 14.604 -3.445 20.433 1.00 31.61 N ATOM 1969 CA THR B 31 15.128 -2.431 19.539 1.00 29.61 C ATOM 1970 C THR B 31 15.551 -3.046 18.211 1.00 29.58 C ATOM 1971 O THR B 31 16.118 -4.138 18.172 1.00 28.19 O ATOM 1972 CB THR B 31 16.328 -1.723 20.186 1.00 27.51 C ATOM 1973 OG1 THR B 31 15.939 -1.202 21.462 1.00 23.24 O ATOM 1974 CG2 THR B 31 16.802 -0.590 19.311 1.00 24.87 C ATOM 1975 HA THR B 31 14.338 -1.704 19.351 1.00 0.00 H ATOM 1976 HB THR B 31 17.139 -2.441 20.307 1.00 0.00 H ATOM 1977 HG1 THR B 31 15.639 -1.945 22.043 1.00 0.00 H ATOM 1978 HG23 THR B 31 17.099 -0.983 18.339 1.00 0.00 H ATOM 1979 HG21 THR B 31 15.994 0.130 19.182 1.00 0.00 H ATOM 1980 HG22 THR B 31 17.654 -0.101 19.782 1.00 0.00 H ATOM 1981 H THR B 31 15.202 -3.805 21.204 1.00 0.00 H ATOM 1982 N VAL B 32 15.274 -2.334 17.127 1.00 31.81 N ATOM 1983 CA VAL B 32 15.626 -2.800 15.797 1.00 32.07 C ATOM 1984 C VAL B 32 16.232 -1.670 15.001 1.00 33.84 C ATOM 1985 O VAL B 32 15.585 -0.651 14.754 1.00 31.88 O ATOM 1986 CB VAL B 32 14.400 -3.324 15.037 1.00 33.35 C ATOM 1987 CG1 VAL B 32 14.826 -3.900 13.699 1.00 30.39 C ATOM 1988 CG2 VAL B 32 13.711 -4.386 15.856 1.00 33.99 C ATOM 1989 HA VAL B 32 16.341 -3.614 15.917 1.00 0.00 H ATOM 1990 HB VAL B 32 13.709 -2.500 14.863 1.00 0.00 H ATOM 1991 HG11 VAL B 32 15.310 -3.123 13.108 1.00 0.00 H ATOM 1992 HG12 VAL B 32 15.524 -4.721 13.864 1.00 0.00 H ATOM 1993 HG13 VAL B 32 13.949 -4.269 13.168 1.00 0.00 H ATOM 1994 HG21 VAL B 32 14.403 -5.208 16.038 1.00 0.00 H ATOM 1995 HG22 VAL B 32 13.393 -3.960 16.807 1.00 0.00 H ATOM 1996 HG23 VAL B 32 12.841 -4.755 15.312 1.00 0.00 H ATOM 1997 H VAL B 32 14.792 -1.418 17.232 1.00 0.00 H ATOM 1998 N LEU B 33 17.483 -1.849 14.600 1.00 33.17 N ATOM 1999 CA LEU B 33 18.158 -0.824 13.827 1.00 34.83 C ATOM 2000 C LEU B 33 18.399 -1.263 12.395 1.00 35.62 C ATOM 2001 O LEU B 33 18.450 -2.456 12.093 1.00 34.50 O ATOM 2002 CB LEU B 33 19.481 -0.444 14.488 1.00 38.52 C ATOM 2003 CG LEU B 33 19.346 0.212 15.866 1.00 40.97 C ATOM 2004 CD1 LEU B 33 18.317 1.334 15.802 1.00 40.15 C ATOM 2005 CD2 LEU B 33 18.912 -0.819 16.878 1.00 42.04 C ATOM 2006 HA LEU B 33 17.505 0.048 13.801 1.00 0.00 H ATOM 2007 HB2 LEU B 33 20.077 -1.350 14.600 1.00 0.00 H ATOM 2008 HB3 LEU B 33 20.001 0.252 13.830 1.00 0.00 H ATOM 2009 HG LEU B 33 20.310 0.625 16.164 1.00 0.00 H ATOM 2010 HD21 LEU B 33 17.950 -1.237 16.580 1.00 0.00 H ATOM 2011 HD22 LEU B 33 19.656 -1.614 16.926 1.00 0.00 H ATOM 2012 HD23 LEU B 33 18.817 -0.348 17.857 1.00 0.00 H ATOM 2013 HD11 LEU B 33 18.640 2.080 15.076 1.00 0.00 H ATOM 2014 HD12 LEU B 33 17.353 0.924 15.500 1.00 0.00 H ATOM 2015 HD13 LEU B 33 18.225 1.797 16.784 1.00 0.00 H ATOM 2016 H LEU B 33 17.983 -2.729 14.841 1.00 0.00 H ATOM 2017 N GLU B 34 18.530 -0.282 11.511 1.00 38.66 N ATOM 2018 CA GLU B 34 18.765 -0.562 10.109 1.00 42.09 C ATOM 2019 C GLU B 34 20.132 -1.214 10.004 1.00 40.89 C ATOM 2020 O GLU B 34 20.954 -1.097 10.912 1.00 37.12 O ATOM 2021 CB GLU B 34 18.729 0.730 9.293 1.00 44.48 C ATOM 2022 CG GLU B 34 18.206 0.529 7.878 1.00 53.13 C ATOM 2023 CD GLU B 34 19.156 1.062 6.824 1.00 56.64 C ATOM 2024 OE1 GLU B 34 20.293 0.551 6.740 1.00 61.73 O ATOM 2025 OE2 GLU B 34 18.770 1.990 6.079 1.00 58.69 O ATOM 2026 HA GLU B 34 17.992 -1.221 9.714 1.00 0.00 H ATOM 2027 HB2 GLU B 34 18.084 1.445 9.803 1.00 0.00 H ATOM 2028 HB3 GLU B 34 19.740 1.132 9.235 1.00 0.00 H ATOM 2029 HG2 GLU B 34 18.059 -0.538 7.708 1.00 0.00 H ATOM 2030 HG3 GLU B 34 17.251 1.046 7.782 1.00 0.00 H ATOM 2031 H GLU B 34 18.463 0.705 11.830 1.00 0.00 H ATOM 2032 N GLU B 35 20.356 -1.916 8.904 1.00 42.31 N ATOM 2033 CA GLU B 35 21.621 -2.595 8.667 1.00 47.00 C ATOM 2034 C GLU B 35 22.865 -1.767 8.988 1.00 48.01 C ATOM 2035 O GLU B 35 22.961 -0.589 8.634 1.00 46.64 O ATOM 2036 CB GLU B 35 21.701 -3.052 7.210 1.00 48.52 C ATOM 2037 CG GLU B 35 21.211 -4.459 6.991 1.00 52.18 C ATOM 2038 CD GLU B 35 21.955 -5.446 7.864 1.00 54.00 C ATOM 2039 OE1 GLU B 35 23.141 -5.188 8.167 1.00 53.54 O ATOM 2040 OE2 GLU B 35 21.361 -6.479 8.238 1.00 57.74 O ATOM 2041 HA GLU B 35 21.625 -3.439 9.357 1.00 0.00 H ATOM 2042 HB2 GLU B 35 21.096 -2.378 6.604 1.00 0.00 H ATOM 2043 HB3 GLU B 35 22.741 -2.995 6.887 1.00 0.00 H ATOM 2044 HG2 GLU B 35 20.148 -4.506 7.229 1.00 0.00 H ATOM 2045 HG3 GLU B 35 21.360 -4.728 5.945 1.00 0.00 H ATOM 2046 H GLU B 35 19.605 -1.984 8.188 1.00 0.00 H ATOM 2047 N MET B 36 23.814 -2.406 9.662 1.00 47.94 N ATOM 2048 CA MET B 36 25.084 -1.780 10.014 1.00 48.40 C ATOM 2049 C MET B 36 26.014 -2.879 10.523 1.00 48.30 C ATOM 2050 O MET B 36 25.570 -3.827 11.170 1.00 46.66 O ATOM 2051 CB MET B 36 24.879 -0.696 11.069 1.00 46.82 C ATOM 2052 CG MET B 36 24.455 -1.196 12.418 1.00 50.11 C ATOM 2053 SD MET B 36 24.073 0.189 13.490 1.00 54.44 S ATOM 2054 CE MET B 36 25.713 0.908 13.717 1.00 53.67 C ATOM 2055 HA MET B 36 25.524 -1.293 9.144 1.00 0.00 H ATOM 2056 HB2 MET B 36 25.819 -0.157 11.188 1.00 0.00 H ATOM 2057 HB3 MET B 36 24.113 -0.011 10.706 1.00 0.00 H ATOM 2058 HG2 MET B 36 25.263 -1.781 12.857 1.00 0.00 H ATOM 2059 HG3 MET B 36 23.571 -1.824 12.309 1.00 0.00 H ATOM 2060 HE1 MET B 36 26.371 0.170 14.175 1.00 0.00 H ATOM 2061 HE2 MET B 36 26.116 1.204 12.748 1.00 0.00 H ATOM 2062 HE3 MET B 36 25.639 1.782 14.364 1.00 0.00 H ATOM 2063 H MET B 36 23.645 -3.391 9.950 1.00 0.00 H ATOM 2064 N ASN B 37 27.303 -2.754 10.223 1.00 48.90 N ATOM 2065 CA ASN B 37 28.284 -3.751 10.642 1.00 48.98 C ATOM 2066 C ASN B 37 28.767 -3.588 12.077 1.00 49.31 C ATOM 2067 O ASN B 37 29.771 -2.923 12.341 1.00 50.91 O ATOM 2068 CB ASN B 37 29.491 -3.737 9.704 1.00 48.27 C ATOM 2069 CG ASN B 37 29.165 -4.278 8.336 1.00 48.72 C ATOM 2070 OD1 ASN B 37 28.435 -3.655 7.567 1.00 49.00 O ATOM 2071 ND2 ASN B 37 29.699 -5.452 8.024 1.00 48.85 N ATOM 2072 HA ASN B 37 27.763 -4.707 10.592 1.00 0.00 H ATOM 2073 HB2 ASN B 37 29.841 -2.710 9.600 1.00 0.00 H ATOM 2074 HB3 ASN B 37 30.282 -4.346 10.142 1.00 0.00 H ATOM 2075 HD22 ASN B 37 30.311 -5.943 8.707 1.00 0.00 H ATOM 2076 HD21 ASN B 37 29.506 -5.881 7.097 1.00 0.00 H ATOM 2077 H ASN B 37 27.620 -1.927 9.677 1.00 0.00 H ATOM 2078 N LEU B 38 28.048 -4.206 13.004 1.00 49.01 N ATOM 2079 CA LEU B 38 28.415 -4.145 14.406 1.00 49.02 C ATOM 2080 C LEU B 38 29.360 -5.297 14.701 1.00 47.09 C ATOM 2081 O LEU B 38 29.202 -6.391 14.170 1.00 46.91 O ATOM 2082 CB LEU B 38 27.183 -4.279 15.298 1.00 51.08 C ATOM 2083 CG LEU B 38 26.287 -3.058 15.471 1.00 54.66 C ATOM 2084 CD1 LEU B 38 25.235 -3.365 16.541 1.00 57.28 C ATOM 2085 CD2 LEU B 38 27.128 -1.858 15.882 1.00 54.36 C ATOM 2086 HA LEU B 38 28.888 -3.184 14.609 1.00 0.00 H ATOM 2087 HB2 LEU B 38 26.567 -5.077 14.883 1.00 0.00 H ATOM 2088 HB3 LEU B 38 27.531 -4.569 16.290 1.00 0.00 H ATOM 2089 HG LEU B 38 25.788 -2.824 14.531 1.00 0.00 H ATOM 2090 HD21 LEU B 38 27.631 -2.074 16.825 1.00 0.00 H ATOM 2091 HD22 LEU B 38 27.871 -1.655 15.111 1.00 0.00 H ATOM 2092 HD23 LEU B 38 26.482 -0.988 16.004 1.00 0.00 H ATOM 2093 HD11 LEU B 38 24.637 -4.221 16.226 1.00 0.00 H ATOM 2094 HD12 LEU B 38 25.733 -3.595 17.483 1.00 0.00 H ATOM 2095 HD13 LEU B 38 24.588 -2.497 16.673 1.00 0.00 H ATOM 2096 H LEU B 38 27.205 -4.745 12.720 1.00 0.00 H ATOM 2097 N PRO B 39 30.363 -5.067 15.552 1.00 47.69 N ATOM 2098 CA PRO B 39 31.304 -6.142 15.880 1.00 47.19 C ATOM 2099 C PRO B 39 30.685 -7.076 16.902 1.00 45.41 C ATOM 2100 O PRO B 39 29.739 -6.710 17.586 1.00 45.34 O ATOM 2101 CB PRO B 39 32.494 -5.389 16.456 1.00 47.25 C ATOM 2102 CG PRO B 39 31.825 -4.258 17.188 1.00 48.18 C ATOM 2103 CD PRO B 39 30.767 -3.799 16.186 1.00 47.95 C ATOM 2104 HA PRO B 39 31.578 -6.769 15.032 1.00 0.00 H ATOM 2105 HD3 PRO B 39 29.925 -3.324 16.690 1.00 0.00 H ATOM 2106 HD2 PRO B 39 31.188 -3.109 15.455 1.00 0.00 H ATOM 2107 HG3 PRO B 39 32.532 -3.458 17.410 1.00 0.00 H ATOM 2108 HG2 PRO B 39 31.367 -4.604 18.115 1.00 0.00 H ATOM 2109 HB2 PRO B 39 33.068 -6.017 17.137 1.00 0.00 H ATOM 2110 HB3 PRO B 39 33.148 -5.018 15.667 1.00 0.00 H ATOM 2111 N GLY B 40 31.221 -8.281 17.005 1.00 46.91 N ATOM 2112 CA GLY B 40 30.702 -9.223 17.976 1.00 47.71 C ATOM 2113 C GLY B 40 29.933 -10.379 17.369 1.00 48.46 C ATOM 2114 O GLY B 40 29.599 -10.367 16.183 1.00 48.75 O ATOM 2115 HA3 GLY B 40 30.036 -8.686 18.652 1.00 0.00 H ATOM 2116 HA2 GLY B 40 31.541 -9.629 18.541 1.00 0.00 H ATOM 2117 H GLY B 40 32.014 -8.552 16.390 1.00 0.00 H ATOM 2118 N ARG B 41 29.671 -11.391 18.186 1.00 46.91 N ATOM 2119 CA ARG B 41 28.920 -12.547 17.733 1.00 48.61 C ATOM 2120 C ARG B 41 27.440 -12.152 17.745 1.00 49.43 C ATOM 2121 O ARG B 41 27.026 -11.276 18.507 1.00 50.89 O ATOM 2122 CB ARG B 41 29.165 -13.732 18.665 1.00 46.22 C ATOM 2123 HA ARG B 41 29.230 -12.847 16.732 1.00 0.00 H ATOM 2124 HB2 ARG B 41 30.228 -13.975 18.670 1.00 0.00 H ATOM 2125 HB3 ARG B 41 28.846 -13.471 19.674 1.00 0.00 H ATOM 2126 H ARG B 41 30.010 -11.355 19.169 1.00 0.00 H ATOM 2127 N TRP B 42 26.645 -12.791 16.899 1.00 47.93 N ATOM 2128 CA TRP B 42 25.226 -12.486 16.838 1.00 49.09 C ATOM 2129 C TRP B 42 24.432 -13.753 16.560 1.00 49.53 C ATOM 2130 O TRP B 42 24.999 -14.772 16.163 1.00 50.75 O ATOM 2131 CB TRP B 42 24.968 -11.464 15.743 1.00 48.72 C ATOM 2132 CG TRP B 42 25.595 -11.858 14.461 1.00 51.38 C ATOM 2133 CD1 TRP B 42 26.844 -11.532 14.026 1.00 50.89 C ATOM 2134 CD2 TRP B 42 25.014 -12.678 13.445 1.00 50.47 C ATOM 2135 NE1 TRP B 42 27.078 -12.096 12.799 1.00 52.63 N ATOM 2136 CE2 TRP B 42 25.971 -12.806 12.417 1.00 53.14 C ATOM 2137 CE3 TRP B 42 23.779 -13.317 13.303 1.00 50.90 C ATOM 2138 CZ2 TRP B 42 25.729 -13.545 11.259 1.00 53.03 C ATOM 2139 CZ3 TRP B 42 23.538 -14.050 12.153 1.00 52.75 C ATOM 2140 CH2 TRP B 42 24.509 -14.158 11.146 1.00 55.63 C ATOM 2141 HA TRP B 42 24.909 -12.074 17.796 1.00 0.00 H ATOM 2142 HB2 TRP B 42 23.892 -11.370 15.595 1.00 0.00 H ATOM 2143 HB3 TRP B 42 25.376 -10.503 16.055 1.00 0.00 H ATOM 2144 HE1 TRP B 42 27.954 -12.000 12.247 1.00 0.00 H ATOM 2145 HD1 TRP B 42 27.554 -10.913 14.574 1.00 0.00 H ATOM 2146 HZ2 TRP B 42 26.481 -13.631 10.475 1.00 0.00 H ATOM 2147 HH2 TRP B 42 24.288 -14.743 10.253 1.00 0.00 H ATOM 2148 HZ3 TRP B 42 22.578 -14.551 12.028 1.00 0.00 H ATOM 2149 HE3 TRP B 42 23.021 -13.240 14.082 1.00 0.00 H ATOM 2150 H TRP B 42 27.042 -13.519 16.271 1.00 0.00 H ATOM 2151 N LYS B 43 23.119 -13.685 16.766 1.00 48.57 N ATOM 2152 CA LYS B 43 22.247 -14.832 16.549 1.00 48.30 C ATOM 2153 C LYS B 43 21.100 -14.470 15.599 1.00 45.91 C ATOM 2154 O LYS B 43 20.460 -13.435 15.760 1.00 45.13 O ATOM 2155 CB LYS B 43 21.684 -15.304 17.890 1.00 50.37 C ATOM 2156 CG LYS B 43 21.088 -16.692 17.852 1.00 58.65 C ATOM 2157 CD LYS B 43 22.160 -17.726 17.506 1.00 65.54 C ATOM 2158 CE LYS B 43 21.613 -19.154 17.517 1.00 67.00 C ATOM 2159 NZ LYS B 43 22.686 -20.137 17.198 1.00 70.07 N ATOM 2160 HA LYS B 43 22.828 -15.634 16.093 1.00 0.00 H ATOM 2161 HB2 LYS B 43 22.491 -15.297 18.622 1.00 0.00 H ATOM 2162 HB3 LYS B 43 20.907 -14.605 18.201 1.00 0.00 H ATOM 2163 HG2 LYS B 43 20.664 -16.927 18.828 1.00 0.00 H ATOM 2164 HG3 LYS B 43 20.301 -16.724 17.098 1.00 0.00 H ATOM 2165 HD2 LYS B 43 22.551 -17.507 16.512 1.00 0.00 H ATOM 2166 HD3 LYS B 43 22.966 -17.653 18.236 1.00 0.00 H ATOM 2167 HE2 LYS B 43 20.819 -19.238 16.775 1.00 0.00 H ATOM 2168 HE3 LYS B 43 21.209 -19.374 18.505 1.00 0.00 H ATOM 2169 HZ1 LYS B 43 23.071 -19.933 16.254 1.00 0.00 H ATOM 2170 HZ2 LYS B 43 23.444 -20.063 17.906 1.00 0.00 H ATOM 2171 HZ3 LYS B 43 22.289 -21.098 17.212 1.00 0.00 H ATOM 2172 H LYS B 43 22.704 -12.788 17.091 1.00 0.00 H ATOM 2173 N PRO B 44 20.822 -15.327 14.600 1.00 42.04 N ATOM 2174 CA PRO B 44 19.744 -15.064 13.643 1.00 39.91 C ATOM 2175 C PRO B 44 18.385 -15.108 14.324 1.00 36.62 C ATOM 2176 O PRO B 44 18.166 -15.876 15.262 1.00 35.32 O ATOM 2177 CB PRO B 44 19.911 -16.183 12.623 1.00 41.44 C ATOM 2178 CG PRO B 44 20.327 -17.324 13.482 1.00 41.13 C ATOM 2179 CD PRO B 44 21.365 -16.684 14.402 1.00 43.56 C ATOM 2180 HA PRO B 44 19.795 -14.074 13.190 1.00 0.00 H ATOM 2181 HD3 PRO B 44 21.438 -17.221 15.348 1.00 0.00 H ATOM 2182 HD2 PRO B 44 22.346 -16.651 13.927 1.00 0.00 H ATOM 2183 HG3 PRO B 44 20.767 -18.125 12.888 1.00 0.00 H ATOM 2184 HG2 PRO B 44 19.484 -17.717 14.051 1.00 0.00 H ATOM 2185 HB2 PRO B 44 18.973 -16.395 12.109 1.00 0.00 H ATOM 2186 HB3 PRO B 44 20.679 -15.939 11.889 1.00 0.00 H ATOM 2187 N LYS B 45 17.466 -14.286 13.844 1.00 33.90 N ATOM 2188 CA LYS B 45 16.150 -14.246 14.434 1.00 33.77 C ATOM 2189 C LYS B 45 15.124 -13.703 13.447 1.00 34.24 C ATOM 2190 O LYS B 45 15.459 -12.976 12.504 1.00 32.96 O ATOM 2191 CB LYS B 45 16.198 -13.366 15.688 1.00 35.40 C ATOM 2192 CG LYS B 45 14.968 -13.414 16.552 1.00 38.45 C ATOM 2193 CD LYS B 45 15.142 -12.520 17.774 1.00 45.60 C ATOM 2194 CE LYS B 45 13.894 -12.522 18.641 1.00 48.31 C ATOM 2195 NZ LYS B 45 14.035 -11.641 19.829 1.00 52.11 N ATOM 2196 HA LYS B 45 15.847 -15.258 14.701 1.00 0.00 H ATOM 2197 HB2 LYS B 45 17.047 -13.685 16.292 1.00 0.00 H ATOM 2198 HB3 LYS B 45 16.347 -12.334 15.370 1.00 0.00 H ATOM 2199 HG2 LYS B 45 14.110 -13.071 15.975 1.00 0.00 H ATOM 2200 HG3 LYS B 45 14.798 -14.440 16.878 1.00 0.00 H ATOM 2201 HD2 LYS B 45 15.984 -12.883 18.363 1.00 0.00 H ATOM 2202 HD3 LYS B 45 15.343 -11.501 17.443 1.00 0.00 H ATOM 2203 HE2 LYS B 45 13.703 -13.540 18.979 1.00 0.00 H ATOM 2204 HE3 LYS B 45 13.051 -12.175 18.044 1.00 0.00 H ATOM 2205 HZ1 LYS B 45 14.833 -11.969 20.410 1.00 0.00 H ATOM 2206 HZ2 LYS B 45 14.210 -10.665 19.516 1.00 0.00 H ATOM 2207 HZ3 LYS B 45 13.160 -11.675 20.390 1.00 0.00 H ATOM 2208 H LYS B 45 17.693 -13.667 13.039 1.00 0.00 H ATOM 2209 N MET B 46 13.866 -14.069 13.664 1.00 34.01 N ATOM 2210 CA MET B 46 12.769 -13.618 12.819 1.00 34.27 C ATOM 2211 C MET B 46 11.781 -12.856 13.699 1.00 33.82 C ATOM 2212 O MET B 46 11.336 -13.376 14.723 1.00 35.72 O ATOM 2213 CB MET B 46 12.042 -14.813 12.191 1.00 37.19 C ATOM 2214 CG MET B 46 12.899 -15.745 11.342 1.00 39.43 C ATOM 2215 SD MET B 46 12.753 -15.459 9.568 1.00 40.73 S ATOM 2216 CE MET B 46 11.094 -16.040 9.239 1.00 39.19 C ATOM 2217 HA MET B 46 13.162 -12.988 12.021 1.00 0.00 H ATOM 2218 HB2 MET B 46 11.608 -15.402 12.999 1.00 0.00 H ATOM 2219 HB3 MET B 46 11.245 -14.424 11.558 1.00 0.00 H ATOM 2220 HG2 MET B 46 12.599 -16.772 11.550 1.00 0.00 H ATOM 2221 HG3 MET B 46 13.942 -15.608 11.627 1.00 0.00 H ATOM 2222 HE1 MET B 46 11.018 -17.093 9.512 1.00 0.00 H ATOM 2223 HE2 MET B 46 10.384 -15.459 9.827 1.00 0.00 H ATOM 2224 HE3 MET B 46 10.872 -15.921 8.178 1.00 0.00 H ATOM 2225 H MET B 46 13.657 -14.699 14.465 1.00 0.00 H ATOM 2226 N ILE B 47 11.453 -11.626 13.319 1.00 31.11 N ATOM 2227 CA ILE B 47 10.489 -10.836 14.076 1.00 29.55 C ATOM 2228 C ILE B 47 9.404 -10.416 13.106 1.00 28.49 C ATOM 2229 O ILE B 47 9.671 -10.188 11.927 1.00 26.12 O ATOM 2230 CB ILE B 47 11.093 -9.591 14.733 1.00 28.68 C ATOM 2231 CG1 ILE B 47 11.798 -8.724 13.688 1.00 30.74 C ATOM 2232 CG2 ILE B 47 12.030 -10.009 15.837 1.00 31.98 C ATOM 2233 CD1 ILE B 47 12.069 -7.340 14.174 1.00 31.52 C ATOM 2234 HA ILE B 47 10.110 -11.449 14.893 1.00 0.00 H ATOM 2235 HB ILE B 47 10.299 -8.987 15.171 1.00 0.00 H ATOM 2236 HG12 ILE B 47 12.746 -9.194 13.427 1.00 0.00 H ATOM 2237 HG13 ILE B 47 11.167 -8.665 12.801 1.00 0.00 H ATOM 2238 HD11 ILE B 47 11.127 -6.855 14.430 1.00 0.00 H ATOM 2239 HD12 ILE B 47 12.707 -7.385 15.056 1.00 0.00 H ATOM 2240 HD13 ILE B 47 12.570 -6.773 13.390 1.00 0.00 H ATOM 2241 HG21 ILE B 47 11.479 -10.582 16.582 1.00 0.00 H ATOM 2242 HG22 ILE B 47 12.828 -10.624 15.421 1.00 0.00 H ATOM 2243 HG23 ILE B 47 12.459 -9.122 16.303 1.00 0.00 H ATOM 2244 H ILE B 47 11.891 -11.220 12.468 1.00 0.00 H ATOM 2245 N GLY B 48 8.175 -10.336 13.603 1.00 28.15 N ATOM 2246 CA GLY B 48 7.072 -9.978 12.743 1.00 25.82 C ATOM 2247 C GLY B 48 6.233 -8.825 13.235 1.00 27.34 C ATOM 2248 O GLY B 48 6.186 -8.511 14.424 1.00 28.20 O ATOM 2249 HA3 GLY B 48 6.425 -10.849 12.641 1.00 0.00 H ATOM 2250 HA2 GLY B 48 7.476 -9.711 11.767 1.00 0.00 H ATOM 2251 H GLY B 48 8.007 -10.531 14.611 1.00 0.00 H ATOM 2252 N GLY B 49 5.570 -8.186 12.286 1.00 27.96 N ATOM 2253 CA GLY B 49 4.708 -7.073 12.599 1.00 28.64 C ATOM 2254 C GLY B 49 3.722 -6.935 11.467 1.00 28.66 C ATOM 2255 O GLY B 49 3.332 -7.923 10.852 1.00 30.74 O ATOM 2256 HA3 GLY B 49 5.297 -6.161 12.694 1.00 0.00 H ATOM 2257 HA2 GLY B 49 4.179 -7.262 13.533 1.00 0.00 H ATOM 2258 H GLY B 49 5.672 -8.491 11.297 1.00 0.00 H ATOM 2259 N ILE B 50 3.319 -5.709 11.182 1.00 29.17 N ATOM 2260 CA ILE B 50 2.380 -5.475 10.110 1.00 28.97 C ATOM 2261 C ILE B 50 3.070 -5.737 8.782 1.00 29.88 C ATOM 2262 O ILE B 50 4.133 -5.180 8.492 1.00 27.79 O ATOM 2263 CB ILE B 50 1.836 -4.048 10.192 1.00 30.14 C ATOM 2264 CG1 ILE B 50 0.883 -3.969 11.393 1.00 29.74 C ATOM 2265 CG2 ILE B 50 1.143 -3.657 8.881 1.00 26.48 C ATOM 2266 CD1 ILE B 50 0.446 -2.589 11.753 1.00 31.25 C ATOM 2267 HA ILE B 50 1.531 -6.153 10.199 1.00 0.00 H ATOM 2268 HB ILE B 50 2.650 -3.337 10.335 1.00 0.00 H ATOM 2269 HG12 ILE B 50 -0.005 -4.557 11.161 1.00 0.00 H ATOM 2270 HG13 ILE B 50 1.388 -4.401 12.257 1.00 0.00 H ATOM 2271 HD11 ILE B 50 1.319 -1.986 12.003 1.00 0.00 H ATOM 2272 HD12 ILE B 50 -0.075 -2.142 10.907 1.00 0.00 H ATOM 2273 HD13 ILE B 50 -0.224 -2.634 12.612 1.00 0.00 H ATOM 2274 HG21 ILE B 50 1.859 -3.715 8.061 1.00 0.00 H ATOM 2275 HG22 ILE B 50 0.315 -4.340 8.691 1.00 0.00 H ATOM 2276 HG23 ILE B 50 0.764 -2.638 8.962 1.00 0.00 H ATOM 2277 H ILE B 50 3.681 -4.906 11.735 1.00 0.00 H ATOM 2278 N GLY B 51 2.472 -6.614 7.984 1.00 28.97 N ATOM 2279 CA GLY B 51 3.066 -6.937 6.707 1.00 31.02 C ATOM 2280 C GLY B 51 3.842 -8.238 6.741 1.00 31.78 C ATOM 2281 O GLY B 51 4.189 -8.759 5.695 1.00 31.43 O ATOM 2282 HA3 GLY B 51 3.744 -6.132 6.423 1.00 0.00 H ATOM 2283 HA2 GLY B 51 2.273 -7.022 5.964 1.00 0.00 H ATOM 2284 H GLY B 51 1.582 -7.065 8.276 1.00 0.00 H ATOM 2285 N GLY B 52 4.118 -8.764 7.933 1.00 33.72 N ATOM 2286 CA GLY B 52 4.842 -10.020 8.025 1.00 31.90 C ATOM 2287 C GLY B 52 6.123 -10.012 8.840 1.00 32.84 C ATOM 2288 O GLY B 52 6.308 -9.183 9.741 1.00 33.78 O ATOM 2289 HA3 GLY B 52 5.097 -10.329 7.011 1.00 0.00 H ATOM 2290 HA2 GLY B 52 4.172 -10.756 8.470 1.00 0.00 H ATOM 2291 H GLY B 52 3.815 -8.275 8.799 1.00 0.00 H ATOM 2292 N PHE B 53 7.014 -10.946 8.511 1.00 31.61 N ATOM 2293 CA PHE B 53 8.291 -11.099 9.207 1.00 29.19 C ATOM 2294 C PHE B 53 9.526 -10.668 8.428 1.00 27.69 C ATOM 2295 O PHE B 53 9.524 -10.630 7.211 1.00 27.38 O ATOM 2296 CB PHE B 53 8.495 -12.564 9.616 1.00 29.74 C ATOM 2297 CG PHE B 53 7.637 -13.006 10.766 1.00 25.50 C ATOM 2298 CD1 PHE B 53 6.259 -13.145 10.613 1.00 27.22 C ATOM 2299 CD2 PHE B 53 8.208 -13.279 12.003 1.00 26.67 C ATOM 2300 CE1 PHE B 53 5.453 -13.547 11.675 1.00 26.43 C ATOM 2301 CE2 PHE B 53 7.416 -13.683 13.076 1.00 30.87 C ATOM 2302 CZ PHE B 53 6.028 -13.818 12.910 1.00 30.14 C ATOM 2303 HA PHE B 53 8.207 -10.427 10.061 1.00 0.00 H ATOM 2304 HB2 PHE B 53 8.267 -13.194 8.757 1.00 0.00 H ATOM 2305 HB3 PHE B 53 9.540 -12.699 9.897 1.00 0.00 H ATOM 2306 HD2 PHE B 53 9.285 -13.176 12.135 1.00 0.00 H ATOM 2307 HE2 PHE B 53 7.873 -13.894 14.043 1.00 0.00 H ATOM 2308 HZ PHE B 53 5.405 -14.134 13.747 1.00 0.00 H ATOM 2309 HE1 PHE B 53 4.376 -13.648 11.538 1.00 0.00 H ATOM 2310 HD1 PHE B 53 5.804 -12.935 9.645 1.00 0.00 H ATOM 2311 H PHE B 53 6.792 -11.593 7.727 1.00 0.00 H ATOM 2312 N ILE B 54 10.586 -10.340 9.151 1.00 28.65 N ATOM 2313 CA ILE B 54 11.860 -9.990 8.531 1.00 30.48 C ATOM 2314 C ILE B 54 12.938 -10.699 9.350 1.00 31.45 C ATOM 2315 O ILE B 54 12.758 -10.944 10.550 1.00 28.30 O ATOM 2316 CB ILE B 54 12.183 -8.466 8.567 1.00 30.29 C ATOM 2317 CG1 ILE B 54 12.130 -7.963 10.009 1.00 27.04 C ATOM 2318 CG2 ILE B 54 11.274 -7.706 7.613 1.00 28.22 C ATOM 2319 CD1 ILE B 54 12.887 -6.689 10.228 1.00 30.28 C ATOM 2320 HA ILE B 54 11.818 -10.282 7.482 1.00 0.00 H ATOM 2321 HB ILE B 54 13.198 -8.286 8.212 1.00 0.00 H ATOM 2322 HG12 ILE B 54 11.087 -7.795 10.278 1.00 0.00 H ATOM 2323 HG13 ILE B 54 12.552 -8.731 10.658 1.00 0.00 H ATOM 2324 HD11 ILE B 54 13.936 -6.843 9.975 1.00 0.00 H ATOM 2325 HD12 ILE B 54 12.470 -5.906 9.594 1.00 0.00 H ATOM 2326 HD13 ILE B 54 12.804 -6.394 11.274 1.00 0.00 H ATOM 2327 HG21 ILE B 54 11.423 -8.076 6.599 1.00 0.00 H ATOM 2328 HG22 ILE B 54 10.235 -7.855 7.907 1.00 0.00 H ATOM 2329 HG23 ILE B 54 11.515 -6.644 7.652 1.00 0.00 H ATOM 2330 H ILE B 54 10.508 -10.332 10.188 1.00 0.00 H ATOM 2331 N LYS B 55 14.051 -11.024 8.702 1.00 32.56 N ATOM 2332 CA LYS B 55 15.160 -11.686 9.374 1.00 34.79 C ATOM 2333 C LYS B 55 16.096 -10.608 9.890 1.00 32.35 C ATOM 2334 O LYS B 55 16.444 -9.685 9.167 1.00 35.86 O ATOM 2335 CB LYS B 55 15.914 -12.588 8.401 1.00 38.30 C ATOM 2336 CG LYS B 55 17.036 -13.401 9.043 1.00 46.31 C ATOM 2337 CD LYS B 55 17.848 -14.151 7.985 1.00 53.00 C ATOM 2338 CE LYS B 55 16.952 -15.002 7.095 1.00 55.17 C ATOM 2339 NZ LYS B 55 17.699 -15.572 5.932 1.00 63.27 N ATOM 2340 HA LYS B 55 14.785 -12.303 10.190 1.00 0.00 H ATOM 2341 HB2 LYS B 55 15.201 -13.281 7.955 1.00 0.00 H ATOM 2342 HB3 LYS B 55 16.348 -11.963 7.621 1.00 0.00 H ATOM 2343 HG2 LYS B 55 17.697 -12.727 9.588 1.00 0.00 H ATOM 2344 HG3 LYS B 55 16.602 -14.122 9.736 1.00 0.00 H ATOM 2345 HD2 LYS B 55 18.378 -13.427 7.366 1.00 0.00 H ATOM 2346 HD3 LYS B 55 18.569 -14.798 8.484 1.00 0.00 H ATOM 2347 HE2 LYS B 55 16.137 -14.383 6.721 1.00 0.00 H ATOM 2348 HE3 LYS B 55 16.543 -15.821 7.687 1.00 0.00 H ATOM 2349 HZ1 LYS B 55 18.087 -14.797 5.357 1.00 0.00 H ATOM 2350 HZ2 LYS B 55 18.475 -16.170 6.280 1.00 0.00 H ATOM 2351 HZ3 LYS B 55 17.052 -16.144 5.353 1.00 0.00 H ATOM 2352 H LYS B 55 14.132 -10.800 7.690 1.00 0.00 H ATOM 2353 N VAL B 56 16.499 -10.733 11.144 1.00 31.01 N ATOM 2354 CA VAL B 56 17.390 -9.766 11.778 1.00 29.86 C ATOM 2355 C VAL B 56 18.524 -10.490 12.497 1.00 30.75 C ATOM 2356 O VAL B 56 18.450 -11.702 12.721 1.00 29.92 O ATOM 2357 CB VAL B 56 16.642 -8.940 12.839 1.00 27.91 C ATOM 2358 CG1 VAL B 56 15.523 -8.150 12.203 1.00 27.08 C ATOM 2359 CG2 VAL B 56 16.076 -9.878 13.901 1.00 29.11 C ATOM 2360 HA VAL B 56 17.772 -9.116 10.991 1.00 0.00 H ATOM 2361 HB VAL B 56 17.339 -8.240 13.301 1.00 0.00 H ATOM 2362 HG11 VAL B 56 15.937 -7.474 11.455 1.00 0.00 H ATOM 2363 HG12 VAL B 56 14.821 -8.835 11.727 1.00 0.00 H ATOM 2364 HG13 VAL B 56 15.006 -7.573 12.970 1.00 0.00 H ATOM 2365 HG21 VAL B 56 15.387 -10.581 13.433 1.00 0.00 H ATOM 2366 HG22 VAL B 56 16.892 -10.426 14.372 1.00 0.00 H ATOM 2367 HG23 VAL B 56 15.546 -9.295 14.654 1.00 0.00 H ATOM 2368 H VAL B 56 16.169 -11.549 11.698 1.00 0.00 H ATOM 2369 N ARG B 57 19.566 -9.747 12.858 1.00 29.29 N ATOM 2370 CA ARG B 57 20.691 -10.319 13.589 1.00 32.46 C ATOM 2371 C ARG B 57 20.634 -9.777 15.010 1.00 31.58 C ATOM 2372 O ARG B 57 20.583 -8.570 15.229 1.00 31.27 O ATOM 2373 CB ARG B 57 22.021 -9.945 12.930 1.00 32.24 C ATOM 2374 CG ARG B 57 22.332 -10.742 11.686 1.00 39.11 C ATOM 2375 CD ARG B 57 22.755 -9.833 10.554 1.00 48.85 C ATOM 2376 NE ARG B 57 23.818 -8.915 10.956 1.00 55.12 N ATOM 2377 CZ ARG B 57 24.128 -7.805 10.292 1.00 57.85 C ATOM 2378 NH1 ARG B 57 23.454 -7.480 9.195 1.00 57.35 N ATOM 2379 NH2 ARG B 57 25.103 -7.014 10.725 1.00 57.96 N ATOM 2380 HA ARG B 57 20.625 -11.407 13.587 1.00 0.00 H ATOM 2381 HB2 ARG B 57 21.987 -8.889 12.662 1.00 0.00 H ATOM 2382 HB3 ARG B 57 22.821 -10.109 13.652 1.00 0.00 H ATOM 2383 HG2 ARG B 57 23.139 -11.442 11.903 1.00 0.00 H ATOM 2384 HG3 ARG B 57 21.443 -11.296 11.386 1.00 0.00 H ATOM 2385 HD2 ARG B 57 21.892 -9.252 10.228 1.00 0.00 H ATOM 2386 HD3 ARG B 57 23.113 -10.445 9.726 1.00 0.00 H ATOM 2387 HE ARG B 57 24.364 -9.143 11.811 1.00 0.00 H ATOM 2388 HH12 ARG B 57 23.695 -6.612 8.675 1.00 0.00 H ATOM 2389 HH11 ARG B 57 22.685 -8.093 8.856 1.00 0.00 H ATOM 2390 HH22 ARG B 57 25.341 -6.147 10.201 1.00 0.00 H ATOM 2391 HH21 ARG B 57 25.629 -7.261 11.588 1.00 0.00 H ATOM 2392 H ARG B 57 19.579 -8.736 12.614 1.00 0.00 H ATOM 2393 N GLN B 58 20.631 -10.672 15.982 1.00 32.95 N ATOM 2394 CA GLN B 58 20.563 -10.242 17.363 1.00 36.67 C ATOM 2395 C GLN B 58 21.940 -10.065 18.000 1.00 39.10 C ATOM 2396 O GLN B 58 22.746 -10.998 18.024 1.00 39.15 O ATOM 2397 CB GLN B 58 19.758 -11.249 18.177 1.00 35.07 C ATOM 2398 CG GLN B 58 19.466 -10.788 19.583 1.00 45.05 C ATOM 2399 CD GLN B 58 18.779 -11.852 20.404 1.00 48.30 C ATOM 2400 OE1 GLN B 58 17.748 -12.396 20.001 1.00 53.37 O ATOM 2401 NE2 GLN B 58 19.346 -12.158 21.568 1.00 50.91 N ATOM 2402 HA GLN B 58 20.076 -9.267 17.366 1.00 0.00 H ATOM 2403 HB2 GLN B 58 18.811 -11.427 17.668 1.00 0.00 H ATOM 2404 HB3 GLN B 58 20.321 -12.181 18.229 1.00 0.00 H ATOM 2405 HG2 GLN B 58 20.406 -10.523 20.068 1.00 0.00 H ATOM 2406 HG3 GLN B 58 18.822 -9.910 19.538 1.00 0.00 H ATOM 2407 HE22 GLN B 58 20.216 -11.672 21.866 1.00 0.00 H ATOM 2408 HE21 GLN B 58 18.919 -12.883 22.180 1.00 0.00 H ATOM 2409 H GLN B 58 20.678 -11.686 15.755 1.00 0.00 H ATOM 2410 N TYR B 59 22.210 -8.860 18.498 1.00 40.34 N ATOM 2411 CA TYR B 59 23.472 -8.583 19.178 1.00 42.96 C ATOM 2412 C TYR B 59 23.125 -8.307 20.632 1.00 45.54 C ATOM 2413 O TYR B 59 22.096 -7.700 20.928 1.00 46.33 O ATOM 2414 CB TYR B 59 24.185 -7.362 18.594 1.00 41.15 C ATOM 2415 CG TYR B 59 24.752 -7.546 17.201 1.00 45.67 C ATOM 2416 CD1 TYR B 59 23.943 -7.414 16.067 1.00 44.53 C ATOM 2417 CD2 TYR B 59 26.109 -7.831 17.014 1.00 46.54 C ATOM 2418 CE1 TYR B 59 24.471 -7.554 14.784 1.00 43.49 C ATOM 2419 CE2 TYR B 59 26.648 -7.976 15.738 1.00 46.09 C ATOM 2420 CZ TYR B 59 25.825 -7.836 14.626 1.00 47.24 C ATOM 2421 OH TYR B 59 26.357 -7.975 13.361 1.00 47.46 O ATOM 2422 HA TYR B 59 24.145 -9.432 19.061 1.00 0.00 H ATOM 2423 HB3 TYR B 59 25.007 -7.101 19.260 1.00 0.00 H ATOM 2424 HB2 TYR B 59 23.471 -6.539 18.561 1.00 0.00 H ATOM 2425 HD2 TYR B 59 26.757 -7.942 17.884 1.00 0.00 H ATOM 2426 HE2 TYR B 59 27.708 -8.198 15.612 1.00 0.00 H ATOM 2427 HE1 TYR B 59 23.828 -7.443 13.911 1.00 0.00 H ATOM 2428 HD1 TYR B 59 22.882 -7.198 16.189 1.00 0.00 H ATOM 2429 HH TYR B 59 27.065 -7.297 13.226 1.00 0.00 H ATOM 2430 H TYR B 59 21.507 -8.100 18.401 1.00 0.00 H ATOM 2431 N ASP B 60 23.971 -8.758 21.545 1.00 48.09 N ATOM 2432 CA ASP B 60 23.708 -8.539 22.956 1.00 51.58 C ATOM 2433 C ASP B 60 24.721 -7.583 23.556 1.00 52.63 C ATOM 2434 O ASP B 60 25.810 -7.402 23.017 1.00 54.61 O ATOM 2435 CB ASP B 60 23.738 -9.868 23.706 1.00 52.64 C ATOM 2436 CG ASP B 60 22.805 -10.891 23.099 1.00 57.52 C ATOM 2437 OD1 ASP B 60 21.589 -10.613 23.017 1.00 58.87 O ATOM 2438 OD2 ASP B 60 23.288 -11.973 22.697 1.00 60.52 O ATOM 2439 HA ASP B 60 22.718 -8.093 23.053 1.00 0.00 H ATOM 2440 HB2 ASP B 60 24.754 -10.262 23.681 1.00 0.00 H ATOM 2441 HB3 ASP B 60 23.442 -9.694 24.741 1.00 0.00 H ATOM 2442 H ASP B 60 24.827 -9.271 21.251 1.00 0.00 H ATOM 2443 N GLN B 61 24.345 -6.962 24.668 1.00 53.71 N ATOM 2444 CA GLN B 61 25.220 -6.030 25.368 1.00 54.19 C ATOM 2445 C GLN B 61 25.772 -4.915 24.482 1.00 51.95 C ATOM 2446 O GLN B 61 26.978 -4.676 24.462 1.00 51.39 O ATOM 2447 CB GLN B 61 26.389 -6.790 25.990 1.00 56.95 C ATOM 2448 CG GLN B 61 26.002 -8.034 26.771 1.00 63.65 C ATOM 2449 CD GLN B 61 25.219 -7.730 28.028 1.00 66.47 C ATOM 2450 OE1 GLN B 61 24.962 -8.624 28.833 1.00 69.74 O ATOM 2451 NE2 GLN B 61 24.833 -6.469 28.207 1.00 68.58 N ATOM 2452 HA GLN B 61 24.604 -5.554 26.131 1.00 0.00 H ATOM 2453 HB2 GLN B 61 27.063 -7.090 25.188 1.00 0.00 H ATOM 2454 HB3 GLN B 61 26.911 -6.114 26.667 1.00 0.00 H ATOM 2455 HG2 GLN B 61 25.393 -8.671 26.129 1.00 0.00 H ATOM 2456 HG3 GLN B 61 26.912 -8.565 27.050 1.00 0.00 H ATOM 2457 HE22 GLN B 61 25.073 -5.746 27.499 1.00 0.00 H ATOM 2458 HE21 GLN B 61 24.291 -6.206 29.055 1.00 0.00 H ATOM 2459 H GLN B 61 23.396 -7.147 25.052 1.00 0.00 H ATOM 2460 N ILE B 62 24.900 -4.229 23.754 1.00 49.02 N ATOM 2461 CA ILE B 62 25.346 -3.135 22.895 1.00 46.53 C ATOM 2462 C ILE B 62 25.098 -1.804 23.596 1.00 46.76 C ATOM 2463 O ILE B 62 23.981 -1.520 24.021 1.00 45.37 O ATOM 2464 CB ILE B 62 24.598 -3.137 21.554 1.00 46.27 C ATOM 2465 CG1 ILE B 62 24.816 -4.473 20.846 1.00 46.68 C ATOM 2466 CG2 ILE B 62 25.082 -1.996 20.689 1.00 45.22 C ATOM 2467 CD1 ILE B 62 26.271 -4.799 20.576 1.00 45.22 C ATOM 2468 HA ILE B 62 26.410 -3.272 22.701 1.00 0.00 H ATOM 2469 HB ILE B 62 23.532 -3.004 21.736 1.00 0.00 H ATOM 2470 HG12 ILE B 62 24.398 -5.263 21.469 1.00 0.00 H ATOM 2471 HG13 ILE B 62 24.288 -4.446 19.893 1.00 0.00 H ATOM 2472 HD11 ILE B 62 26.704 -4.025 19.943 1.00 0.00 H ATOM 2473 HD12 ILE B 62 26.813 -4.843 21.520 1.00 0.00 H ATOM 2474 HD13 ILE B 62 26.338 -5.763 20.071 1.00 0.00 H ATOM 2475 HG21 ILE B 62 24.899 -1.051 21.200 1.00 0.00 H ATOM 2476 HG22 ILE B 62 26.150 -2.110 20.504 1.00 0.00 H ATOM 2477 HG23 ILE B 62 24.545 -2.007 19.741 1.00 0.00 H ATOM 2478 H ILE B 62 23.890 -4.473 23.795 1.00 0.00 H ATOM 2479 N PRO B 63 26.154 -0.992 23.770 1.00 47.69 N ATOM 2480 CA PRO B 63 26.054 0.317 24.424 1.00 46.50 C ATOM 2481 C PRO B 63 25.398 1.320 23.490 1.00 46.91 C ATOM 2482 O PRO B 63 25.810 1.468 22.338 1.00 47.20 O ATOM 2483 CB PRO B 63 27.511 0.674 24.710 1.00 46.93 C ATOM 2484 CG PRO B 63 28.170 -0.658 24.854 1.00 45.89 C ATOM 2485 CD PRO B 63 27.563 -1.418 23.703 1.00 49.88 C ATOM 2486 HA PRO B 63 25.443 0.316 25.327 1.00 0.00 H ATOM 2487 HD3 PRO B 63 28.019 -1.134 22.755 1.00 0.00 H ATOM 2488 HD2 PRO B 63 27.660 -2.495 23.843 1.00 0.00 H ATOM 2489 HG3 PRO B 63 27.927 -1.122 25.810 1.00 0.00 H ATOM 2490 HG2 PRO B 63 29.253 -0.580 24.754 1.00 0.00 H ATOM 2491 HB2 PRO B 63 27.945 1.237 23.884 1.00 0.00 H ATOM 2492 HB3 PRO B 63 27.598 1.254 25.629 1.00 0.00 H ATOM 2493 N ILE B 64 24.379 2.011 23.992 1.00 47.01 N ATOM 2494 CA ILE B 64 23.651 2.991 23.197 1.00 46.93 C ATOM 2495 C ILE B 64 23.339 4.245 24.000 1.00 47.52 C ATOM 2496 O ILE B 64 22.994 4.170 25.179 1.00 48.52 O ATOM 2497 CB ILE B 64 22.309 2.414 22.692 1.00 46.12 C ATOM 2498 CG1 ILE B 64 22.556 1.160 21.852 1.00 45.46 C ATOM 2499 CG2 ILE B 64 21.567 3.464 21.874 1.00 46.49 C ATOM 2500 CD1 ILE B 64 23.319 1.425 20.587 1.00 45.48 C ATOM 2501 HA ILE B 64 24.297 3.241 22.356 1.00 0.00 H ATOM 2502 HB ILE B 64 21.695 2.140 23.550 1.00 0.00 H ATOM 2503 HG12 ILE B 64 23.121 0.448 22.453 1.00 0.00 H ATOM 2504 HG13 ILE B 64 21.592 0.726 21.589 1.00 0.00 H ATOM 2505 HD11 ILE B 64 22.761 2.128 19.968 1.00 0.00 H ATOM 2506 HD12 ILE B 64 24.292 1.849 20.833 1.00 0.00 H ATOM 2507 HD13 ILE B 64 23.456 0.490 20.044 1.00 0.00 H ATOM 2508 HG21 ILE B 64 21.372 4.337 22.497 1.00 0.00 H ATOM 2509 HG22 ILE B 64 22.178 3.755 21.019 1.00 0.00 H ATOM 2510 HG23 ILE B 64 20.623 3.048 21.522 1.00 0.00 H ATOM 2511 H ILE B 64 24.094 1.848 24.979 1.00 0.00 H ATOM 2512 N GLU B 65 23.460 5.398 23.353 1.00 48.64 N ATOM 2513 CA GLU B 65 23.159 6.659 24.012 1.00 51.47 C ATOM 2514 C GLU B 65 21.910 7.280 23.387 1.00 49.45 C ATOM 2515 O GLU B 65 21.898 7.658 22.212 1.00 46.23 O ATOM 2516 CB GLU B 65 24.343 7.618 23.908 1.00 54.46 C ATOM 2517 CG GLU B 65 24.231 8.809 24.841 1.00 60.94 C ATOM 2518 CD GLU B 65 25.579 9.416 25.161 1.00 65.24 C ATOM 2519 OE1 GLU B 65 26.436 8.689 25.713 1.00 64.87 O ATOM 2520 OE2 GLU B 65 25.784 10.613 24.861 1.00 68.38 O ATOM 2521 HA GLU B 65 22.971 6.469 25.069 1.00 0.00 H ATOM 2522 HB2 GLU B 65 25.254 7.072 24.151 1.00 0.00 H ATOM 2523 HB3 GLU B 65 24.403 7.985 22.883 1.00 0.00 H ATOM 2524 HG2 GLU B 65 23.608 9.568 24.368 1.00 0.00 H ATOM 2525 HG3 GLU B 65 23.763 8.484 25.770 1.00 0.00 H ATOM 2526 H GLU B 65 23.774 5.399 22.362 1.00 0.00 H ATOM 2527 N ILE B 66 20.861 7.370 24.197 1.00 48.52 N ATOM 2528 CA ILE B 66 19.579 7.914 23.766 1.00 49.24 C ATOM 2529 C ILE B 66 19.375 9.280 24.394 1.00 49.24 C ATOM 2530 O ILE B 66 19.094 9.380 25.586 1.00 50.11 O ATOM 2531 CB ILE B 66 18.433 6.997 24.205 1.00 48.01 C ATOM 2532 CG1 ILE B 66 18.641 5.597 23.623 1.00 49.09 C ATOM 2533 CG2 ILE B 66 17.108 7.571 23.745 1.00 49.58 C ATOM 2534 CD1 ILE B 66 17.830 4.526 24.313 1.00 46.73 C ATOM 2535 HA ILE B 66 19.582 7.992 22.679 1.00 0.00 H ATOM 2536 HB ILE B 66 18.422 6.927 25.293 1.00 0.00 H ATOM 2537 HG12 ILE B 66 18.360 5.617 22.570 1.00 0.00 H ATOM 2538 HG13 ILE B 66 19.697 5.340 23.712 1.00 0.00 H ATOM 2539 HD11 ILE B 66 18.107 4.485 25.366 1.00 0.00 H ATOM 2540 HD12 ILE B 66 16.769 4.761 24.224 1.00 0.00 H ATOM 2541 HD13 ILE B 66 18.031 3.562 23.845 1.00 0.00 H ATOM 2542 HG21 ILE B 66 16.968 8.558 24.186 1.00 0.00 H ATOM 2543 HG22 ILE B 66 17.107 7.654 22.658 1.00 0.00 H ATOM 2544 HG23 ILE B 66 16.299 6.913 24.061 1.00 0.00 H ATOM 2545 H ILE B 66 20.958 7.039 25.178 1.00 0.00 H ATOM 2546 N CYS B 67 19.504 10.325 23.580 1.00 50.04 N ATOM 2547 CA CYS B 67 19.363 11.695 24.056 1.00 52.26 C ATOM 2548 C CYS B 67 20.169 11.894 25.332 1.00 53.19 C ATOM 2549 O CYS B 67 19.621 12.215 26.387 1.00 53.77 O ATOM 2550 CB CYS B 67 17.887 12.042 24.293 1.00 50.66 C ATOM 2551 SG CYS B 67 17.148 12.943 22.907 1.00 54.05 S ATOM 2552 HA CYS B 67 19.749 12.367 23.289 1.00 0.00 H ATOM 2553 HB2 CYS B 67 17.813 12.659 25.189 1.00 0.00 H ATOM 2554 HB3 CYS B 67 17.331 11.117 24.444 1.00 0.00 H ATOM 2555 HG CYS B 67 15.826 13.219 23.192 1.00 0.00 H ATOM 2556 H CYS B 67 19.712 10.159 22.575 1.00 0.00 H ATOM 2557 N GLY B 68 21.477 11.678 25.223 1.00 54.31 N ATOM 2558 CA GLY B 68 22.361 11.841 26.360 1.00 53.82 C ATOM 2559 C GLY B 68 22.096 10.890 27.509 1.00 55.12 C ATOM 2560 O GLY B 68 22.564 11.126 28.624 1.00 55.83 O ATOM 2561 HA3 GLY B 68 22.253 12.860 26.731 1.00 0.00 H ATOM 2562 HA2 GLY B 68 23.385 11.686 26.020 1.00 0.00 H ATOM 2563 H GLY B 68 21.872 11.387 24.306 1.00 0.00 H ATOM 2564 N HIS B 69 21.339 9.825 27.260 1.00 53.49 N ATOM 2565 CA HIS B 69 21.057 8.848 28.305 1.00 51.95 C ATOM 2566 C HIS B 69 21.738 7.523 27.992 1.00 52.46 C ATOM 2567 O HIS B 69 21.579 6.962 26.902 1.00 54.49 O ATOM 2568 CB HIS B 69 19.555 8.637 28.457 1.00 53.17 C ATOM 2569 CG HIS B 69 18.883 9.685 29.282 1.00 53.91 C ATOM 2570 ND1 HIS B 69 18.941 11.025 28.971 1.00 55.78 N ATOM 2571 CD2 HIS B 69 18.139 9.590 30.409 1.00 52.81 C ATOM 2572 CE1 HIS B 69 18.262 11.713 29.871 1.00 55.80 C ATOM 2573 NE2 HIS B 69 17.765 10.864 30.755 1.00 52.99 N ATOM 2574 HA HIS B 69 21.451 9.235 29.245 1.00 0.00 H ATOM 2575 HB2 HIS B 69 19.105 8.638 27.464 1.00 0.00 H ATOM 2576 HB3 HIS B 69 19.389 7.668 28.928 1.00 0.00 H ATOM 2577 HD2 HIS B 69 17.885 8.674 30.942 1.00 0.00 H ATOM 2578 HE1 HIS B 69 18.133 12.795 29.883 1.00 0.00 H ATOM 2579 H HIS B 69 20.943 9.687 26.308 1.00 0.00 H ATOM 2580 N LYS B 70 22.492 7.026 28.965 1.00 49.94 N ATOM 2581 CA LYS B 70 23.228 5.786 28.805 1.00 47.24 C ATOM 2582 C LYS B 70 22.346 4.567 28.964 1.00 45.01 C ATOM 2583 O LYS B 70 21.575 4.467 29.915 1.00 43.02 O ATOM 2584 CB LYS B 70 24.375 5.732 29.810 1.00 50.28 C ATOM 2585 HA LYS B 70 23.622 5.770 27.789 1.00 0.00 H ATOM 2586 HB2 LYS B 70 25.046 6.574 29.640 1.00 0.00 H ATOM 2587 HB3 LYS B 70 23.973 5.785 30.822 1.00 0.00 H ATOM 2588 H LYS B 70 22.557 7.540 29.867 1.00 0.00 H ATOM 2589 N ALA B 71 22.469 3.641 28.020 1.00 42.34 N ATOM 2590 CA ALA B 71 21.705 2.402 28.039 1.00 42.28 C ATOM 2591 C ALA B 71 22.548 1.318 27.378 1.00 41.71 C ATOM 2592 O ALA B 71 23.335 1.600 26.478 1.00 39.45 O ATOM 2593 CB ALA B 71 20.392 2.576 27.279 1.00 41.33 C ATOM 2594 HA ALA B 71 21.468 2.126 29.066 1.00 0.00 H ATOM 2595 HB1 ALA B 71 19.804 3.364 27.749 1.00 0.00 H ATOM 2596 HB2 ALA B 71 20.605 2.847 26.245 1.00 0.00 H ATOM 2597 HB3 ALA B 71 19.833 1.641 27.303 1.00 0.00 H ATOM 2598 H ALA B 71 23.135 3.807 27.239 1.00 0.00 H ATOM 2599 N ILE B 72 22.374 0.081 27.824 1.00 41.41 N ATOM 2600 CA ILE B 72 23.122 -1.040 27.266 1.00 41.74 C ATOM 2601 C ILE B 72 22.224 -2.272 27.223 1.00 39.39 C ATOM 2602 O ILE B 72 21.683 -2.694 28.245 1.00 39.55 O ATOM 2603 CB ILE B 72 24.415 -1.338 28.114 1.00 41.78 C ATOM 2604 CG1 ILE B 72 25.036 -2.671 27.698 1.00 42.31 C ATOM 2605 CG2 ILE B 72 24.096 -1.351 29.600 1.00 44.14 C ATOM 2606 CD1 ILE B 72 25.886 -2.572 26.469 1.00 46.42 C ATOM 2607 HA ILE B 72 23.439 -0.781 26.256 1.00 0.00 H ATOM 2608 HB ILE B 72 25.134 -0.542 27.922 1.00 0.00 H ATOM 2609 HG12 ILE B 72 25.655 -3.035 28.518 1.00 0.00 H ATOM 2610 HG13 ILE B 72 24.233 -3.382 27.507 1.00 0.00 H ATOM 2611 HD11 ILE B 72 25.278 -2.219 25.636 1.00 0.00 H ATOM 2612 HD12 ILE B 72 26.702 -1.871 26.648 1.00 0.00 H ATOM 2613 HD13 ILE B 72 26.295 -3.554 26.231 1.00 0.00 H ATOM 2614 HG21 ILE B 72 23.699 -0.379 29.894 1.00 0.00 H ATOM 2615 HG22 ILE B 72 23.355 -2.124 29.805 1.00 0.00 H ATOM 2616 HG23 ILE B 72 25.005 -1.559 30.164 1.00 0.00 H ATOM 2617 H ILE B 72 21.690 -0.093 28.588 1.00 0.00 H ATOM 2618 N GLY B 73 22.051 -2.839 26.035 1.00 35.94 N ATOM 2619 CA GLY B 73 21.218 -4.022 25.928 1.00 35.95 C ATOM 2620 C GLY B 73 21.199 -4.688 24.569 1.00 35.91 C ATOM 2621 O GLY B 73 22.041 -4.427 23.708 1.00 36.99 O ATOM 2622 HA3 GLY B 73 20.196 -3.736 26.176 1.00 0.00 H ATOM 2623 HA2 GLY B 73 21.576 -4.752 26.654 1.00 0.00 H ATOM 2624 H GLY B 73 22.508 -2.439 25.190 1.00 0.00 H ATOM 2625 N THR B 74 20.221 -5.559 24.375 1.00 35.91 N ATOM 2626 CA THR B 74 20.078 -6.272 23.115 1.00 37.98 C ATOM 2627 C THR B 74 19.679 -5.316 21.998 1.00 37.60 C ATOM 2628 O THR B 74 18.951 -4.351 22.226 1.00 40.21 O ATOM 2629 CB THR B 74 19.009 -7.371 23.231 1.00 38.16 C ATOM 2630 OG1 THR B 74 19.480 -8.395 24.111 1.00 42.09 O ATOM 2631 CG2 THR B 74 18.697 -7.969 21.872 1.00 38.48 C ATOM 2632 HA THR B 74 21.042 -6.724 22.881 1.00 0.00 H ATOM 2633 HB THR B 74 18.095 -6.930 23.628 1.00 0.00 H ATOM 2634 HG1 THR B 74 20.316 -8.781 23.748 1.00 0.00 H ATOM 2635 HG23 THR B 74 18.339 -7.185 21.205 1.00 0.00 H ATOM 2636 HG21 THR B 74 19.600 -8.416 21.457 1.00 0.00 H ATOM 2637 HG22 THR B 74 17.929 -8.734 21.981 1.00 0.00 H ATOM 2638 H THR B 74 19.540 -5.737 25.140 1.00 0.00 H ATOM 2639 N VAL B 75 20.162 -5.598 20.793 1.00 36.45 N ATOM 2640 CA VAL B 75 19.865 -4.788 19.623 1.00 36.37 C ATOM 2641 C VAL B 75 19.704 -5.695 18.393 1.00 36.85 C ATOM 2642 O VAL B 75 20.558 -6.542 18.124 1.00 38.36 O ATOM 2643 CB VAL B 75 20.995 -3.772 19.359 1.00 39.64 C ATOM 2644 CG1 VAL B 75 20.796 -3.110 18.018 1.00 39.37 C ATOM 2645 CG2 VAL B 75 21.020 -2.723 20.460 1.00 41.19 C ATOM 2646 HA VAL B 75 18.939 -4.244 19.809 1.00 0.00 H ATOM 2647 HB VAL B 75 21.948 -4.300 19.352 1.00 0.00 H ATOM 2648 HG11 VAL B 75 20.806 -3.868 17.235 1.00 0.00 H ATOM 2649 HG12 VAL B 75 19.838 -2.590 18.010 1.00 0.00 H ATOM 2650 HG13 VAL B 75 21.600 -2.395 17.844 1.00 0.00 H ATOM 2651 HG21 VAL B 75 20.064 -2.199 20.483 1.00 0.00 H ATOM 2652 HG22 VAL B 75 21.192 -3.210 21.420 1.00 0.00 H ATOM 2653 HG23 VAL B 75 21.822 -2.011 20.264 1.00 0.00 H ATOM 2654 H VAL B 75 20.776 -6.430 20.682 1.00 0.00 H ATOM 2655 N LEU B 76 18.606 -5.515 17.660 1.00 33.90 N ATOM 2656 CA LEU B 76 18.330 -6.304 16.464 1.00 29.80 C ATOM 2657 C LEU B 76 18.650 -5.489 15.231 1.00 30.60 C ATOM 2658 O LEU B 76 18.172 -4.359 15.075 1.00 31.17 O ATOM 2659 CB LEU B 76 16.859 -6.731 16.415 1.00 25.15 C ATOM 2660 CG LEU B 76 16.384 -7.476 17.660 1.00 27.17 C ATOM 2661 CD1 LEU B 76 14.932 -7.849 17.518 1.00 24.68 C ATOM 2662 CD2 LEU B 76 17.242 -8.702 17.878 1.00 24.52 C ATOM 2663 HA LEU B 76 18.954 -7.197 16.495 1.00 0.00 H ATOM 2664 HB2 LEU B 76 16.247 -5.837 16.296 1.00 0.00 H ATOM 2665 HB3 LEU B 76 16.720 -7.382 15.552 1.00 0.00 H ATOM 2666 HG LEU B 76 16.481 -6.827 18.531 1.00 0.00 H ATOM 2667 HD21 LEU B 76 17.163 -9.358 17.011 1.00 0.00 H ATOM 2668 HD22 LEU B 76 18.280 -8.398 18.012 1.00 0.00 H ATOM 2669 HD23 LEU B 76 16.899 -9.230 18.768 1.00 0.00 H ATOM 2670 HD11 LEU B 76 14.336 -6.945 17.393 1.00 0.00 H ATOM 2671 HD12 LEU B 76 14.807 -8.492 16.647 1.00 0.00 H ATOM 2672 HD13 LEU B 76 14.605 -8.380 18.412 1.00 0.00 H ATOM 2673 H LEU B 76 17.922 -4.787 17.950 1.00 0.00 H ATOM 2674 N VAL B 77 19.447 -6.072 14.341 1.00 31.60 N ATOM 2675 CA VAL B 77 19.842 -5.388 13.115 1.00 32.11 C ATOM 2676 C VAL B 77 19.331 -6.120 11.886 1.00 31.90 C ATOM 2677 O VAL B 77 19.592 -7.305 11.704 1.00 35.43 O ATOM 2678 CB VAL B 77 21.380 -5.259 13.038 1.00 32.67 C ATOM 2679 CG1 VAL B 77 21.792 -4.567 11.759 1.00 32.99 C ATOM 2680 CG2 VAL B 77 21.870 -4.486 14.226 1.00 33.62 C ATOM 2681 HA VAL B 77 19.397 -4.393 13.136 1.00 0.00 H ATOM 2682 HB VAL B 77 21.823 -6.255 13.043 1.00 0.00 H ATOM 2683 HG11 VAL B 77 21.442 -5.147 10.905 1.00 0.00 H ATOM 2684 HG12 VAL B 77 21.351 -3.571 11.728 1.00 0.00 H ATOM 2685 HG13 VAL B 77 22.878 -4.486 11.725 1.00 0.00 H ATOM 2686 HG21 VAL B 77 21.418 -3.494 14.224 1.00 0.00 H ATOM 2687 HG22 VAL B 77 21.592 -5.011 15.140 1.00 0.00 H ATOM 2688 HG23 VAL B 77 22.955 -4.393 14.175 1.00 0.00 H ATOM 2689 H VAL B 77 19.796 -7.035 14.523 1.00 0.00 H ATOM 2690 N GLY B 78 18.601 -5.402 11.041 1.00 33.15 N ATOM 2691 CA GLY B 78 18.049 -6.003 9.843 1.00 30.52 C ATOM 2692 C GLY B 78 17.464 -4.946 8.932 1.00 32.43 C ATOM 2693 O GLY B 78 17.563 -3.748 9.220 1.00 31.05 O ATOM 2694 HA3 GLY B 78 17.265 -6.706 10.124 1.00 0.00 H ATOM 2695 HA2 GLY B 78 18.839 -6.535 9.313 1.00 0.00 H ATOM 2696 H GLY B 78 18.423 -4.397 11.241 1.00 0.00 H ATOM 2697 N PRO B 79 16.822 -5.361 7.829 1.00 34.16 N ATOM 2698 CA PRO B 79 16.207 -4.471 6.839 1.00 34.81 C ATOM 2699 C PRO B 79 14.939 -3.773 7.299 1.00 36.63 C ATOM 2700 O PRO B 79 13.877 -3.941 6.702 1.00 38.00 O ATOM 2701 CB PRO B 79 15.952 -5.404 5.659 1.00 33.85 C ATOM 2702 CG PRO B 79 15.561 -6.667 6.352 1.00 35.41 C ATOM 2703 CD PRO B 79 16.605 -6.773 7.460 1.00 35.41 C ATOM 2704 HA PRO B 79 16.856 -3.626 6.611 1.00 0.00 H ATOM 2705 HD3 PRO B 79 16.226 -7.348 8.305 1.00 0.00 H ATOM 2706 HD2 PRO B 79 17.524 -7.231 7.094 1.00 0.00 H ATOM 2707 HG3 PRO B 79 15.615 -7.521 5.676 1.00 0.00 H ATOM 2708 HG2 PRO B 79 14.555 -6.595 6.764 1.00 0.00 H ATOM 2709 HB2 PRO B 79 15.147 -5.033 5.025 1.00 0.00 H ATOM 2710 HB3 PRO B 79 16.852 -5.542 5.059 1.00 0.00 H ATOM 2711 N THR B 80 15.047 -2.981 8.358 1.00 38.03 N ATOM 2712 CA THR B 80 13.888 -2.262 8.860 1.00 37.55 C ATOM 2713 C THR B 80 13.757 -0.906 8.170 1.00 38.75 C ATOM 2714 O THR B 80 14.752 -0.226 7.931 1.00 37.27 O ATOM 2715 CB THR B 80 13.964 -2.036 10.390 1.00 36.94 C ATOM 2716 OG1 THR B 80 12.843 -1.247 10.800 1.00 30.18 O ATOM 2717 CG2 THR B 80 15.265 -1.309 10.780 1.00 32.05 C ATOM 2718 HA THR B 80 13.017 -2.879 8.641 1.00 0.00 H ATOM 2719 HB THR B 80 13.951 -3.007 10.886 1.00 0.00 H ATOM 2720 HG1 THR B 80 12.885 -1.099 11.778 1.00 0.00 H ATOM 2721 HG23 THR B 80 16.121 -1.907 10.469 1.00 0.00 H ATOM 2722 HG21 THR B 80 15.300 -0.338 10.285 1.00 0.00 H ATOM 2723 HG22 THR B 80 15.291 -1.169 11.861 1.00 0.00 H ATOM 2724 H THR B 80 15.967 -2.874 8.832 1.00 0.00 H ATOM 2725 N PRO B 81 12.521 -0.510 7.823 1.00 38.86 N ATOM 2726 CA PRO B 81 12.244 0.767 7.160 1.00 40.22 C ATOM 2727 C PRO B 81 12.585 1.921 8.078 1.00 41.78 C ATOM 2728 O PRO B 81 13.019 2.977 7.621 1.00 41.79 O ATOM 2729 CB PRO B 81 10.746 0.703 6.889 1.00 40.21 C ATOM 2730 CG PRO B 81 10.489 -0.775 6.767 1.00 43.46 C ATOM 2731 CD PRO B 81 11.307 -1.336 7.892 1.00 39.20 C ATOM 2732 HA PRO B 81 12.829 0.922 6.254 1.00 0.00 H ATOM 2733 HD3 PRO B 81 10.800 -1.217 8.849 1.00 0.00 H ATOM 2734 HD2 PRO B 81 11.534 -2.390 7.731 1.00 0.00 H ATOM 2735 HG3 PRO B 81 10.828 -1.157 5.804 1.00 0.00 H ATOM 2736 HG2 PRO B 81 9.431 -1.004 6.895 1.00 0.00 H ATOM 2737 HB2 PRO B 81 10.179 1.133 7.715 1.00 0.00 H ATOM 2738 HB3 PRO B 81 10.492 1.223 5.965 1.00 0.00 H ATOM 2739 N THR B 82 12.394 1.699 9.380 1.00 42.71 N ATOM 2740 CA THR B 82 12.656 2.715 10.399 1.00 41.65 C ATOM 2741 C THR B 82 13.425 2.185 11.618 1.00 40.56 C ATOM 2742 O THR B 82 13.214 1.051 12.053 1.00 38.91 O ATOM 2743 CB THR B 82 11.332 3.297 10.952 1.00 43.70 C ATOM 2744 OG1 THR B 82 10.445 3.630 9.872 1.00 44.47 O ATOM 2745 CG2 THR B 82 11.616 4.536 11.799 1.00 41.73 C ATOM 2746 HA THR B 82 13.258 3.465 9.886 1.00 0.00 H ATOM 2747 HB THR B 82 10.854 2.544 11.578 1.00 0.00 H ATOM 2748 HG1 THR B 82 9.604 4.000 10.240 1.00 0.00 H ATOM 2749 HG23 THR B 82 12.289 4.271 12.614 1.00 0.00 H ATOM 2750 HG21 THR B 82 12.080 5.301 11.177 1.00 0.00 H ATOM 2751 HG22 THR B 82 10.680 4.917 12.208 1.00 0.00 H ATOM 2752 H THR B 82 12.045 0.767 9.682 1.00 0.00 H ATOM 2753 N ASN B 83 14.303 3.012 12.180 1.00 37.20 N ATOM 2754 CA ASN B 83 15.023 2.611 13.382 1.00 37.00 C ATOM 2755 C ASN B 83 14.050 2.717 14.545 1.00 35.53 C ATOM 2756 O ASN B 83 13.335 3.710 14.680 1.00 33.95 O ATOM 2757 CB ASN B 83 16.219 3.518 13.642 1.00 38.54 C ATOM 2758 CG ASN B 83 17.314 3.331 12.619 1.00 42.91 C ATOM 2759 OD1 ASN B 83 17.700 2.200 12.310 1.00 42.05 O ATOM 2760 ND2 ASN B 83 17.826 4.438 12.088 1.00 42.89 N ATOM 2761 HA ASN B 83 15.400 1.595 13.262 1.00 0.00 H ATOM 2762 HB2 ASN B 83 15.885 4.555 13.613 1.00 0.00 H ATOM 2763 HB3 ASN B 83 16.620 3.294 14.630 1.00 0.00 H ATOM 2764 HD22 ASN B 83 17.467 5.369 12.381 1.00 0.00 H ATOM 2765 HD21 ASN B 83 18.585 4.372 11.380 1.00 0.00 H ATOM 2766 H ASN B 83 14.476 3.948 11.760 1.00 0.00 H ATOM 2767 N VAL B 84 14.029 1.697 15.389 1.00 33.98 N ATOM 2768 CA VAL B 84 13.114 1.688 16.508 1.00 34.83 C ATOM 2769 C VAL B 84 13.736 1.343 17.859 1.00 35.95 C ATOM 2770 O VAL B 84 14.383 0.299 18.017 1.00 34.78 O ATOM 2771 CB VAL B 84 11.953 0.704 16.246 1.00 37.75 C ATOM 2772 CG1 VAL B 84 11.146 0.512 17.513 1.00 41.21 C ATOM 2773 CG2 VAL B 84 11.056 1.240 15.146 1.00 37.31 C ATOM 2774 HA VAL B 84 12.767 2.719 16.579 1.00 0.00 H ATOM 2775 HB VAL B 84 12.366 -0.255 15.934 1.00 0.00 H ATOM 2776 HG11 VAL B 84 11.790 0.110 18.295 1.00 0.00 H ATOM 2777 HG12 VAL B 84 10.740 1.472 17.833 1.00 0.00 H ATOM 2778 HG13 VAL B 84 10.329 -0.183 17.320 1.00 0.00 H ATOM 2779 HG21 VAL B 84 10.648 2.204 15.449 1.00 0.00 H ATOM 2780 HG22 VAL B 84 11.637 1.361 14.232 1.00 0.00 H ATOM 2781 HG23 VAL B 84 10.241 0.538 14.969 1.00 0.00 H ATOM 2782 H VAL B 84 14.676 0.896 15.246 1.00 0.00 H ATOM 2783 N ILE B 85 13.524 2.226 18.833 1.00 32.82 N ATOM 2784 CA ILE B 85 14.022 2.003 20.174 1.00 31.26 C ATOM 2785 C ILE B 85 12.863 1.392 20.945 1.00 31.30 C ATOM 2786 O ILE B 85 11.841 2.047 21.192 1.00 33.15 O ATOM 2787 CB ILE B 85 14.463 3.306 20.850 1.00 31.11 C ATOM 2788 CG1 ILE B 85 15.477 4.033 19.967 1.00 33.30 C ATOM 2789 CG2 ILE B 85 15.104 2.989 22.193 1.00 31.15 C ATOM 2790 CD1 ILE B 85 16.726 3.214 19.662 1.00 32.59 C ATOM 2791 HA ILE B 85 14.900 1.357 20.150 1.00 0.00 H ATOM 2792 HB ILE B 85 13.591 3.943 20.999 1.00 0.00 H ATOM 2793 HG12 ILE B 85 14.993 4.286 19.024 1.00 0.00 H ATOM 2794 HG13 ILE B 85 15.781 4.948 20.475 1.00 0.00 H ATOM 2795 HD11 ILE B 85 17.230 2.962 20.595 1.00 0.00 H ATOM 2796 HD12 ILE B 85 16.441 2.299 19.143 1.00 0.00 H ATOM 2797 HD13 ILE B 85 17.397 3.798 19.031 1.00 0.00 H ATOM 2798 HG21 ILE B 85 14.381 2.477 22.827 1.00 0.00 H ATOM 2799 HG22 ILE B 85 15.972 2.348 22.038 1.00 0.00 H ATOM 2800 HG23 ILE B 85 15.417 3.916 22.673 1.00 0.00 H ATOM 2801 H ILE B 85 12.990 3.094 18.626 1.00 0.00 H ATOM 2802 N GLY B 86 13.022 0.124 21.306 1.00 28.48 N ATOM 2803 CA GLY B 86 11.975 -0.578 22.014 1.00 28.75 C ATOM 2804 C GLY B 86 12.021 -0.510 23.520 1.00 28.25 C ATOM 2805 O GLY B 86 12.943 0.040 24.115 1.00 28.59 O ATOM 2806 HA3 GLY B 86 12.027 -1.628 21.728 1.00 0.00 H ATOM 2807 HA2 GLY B 86 11.020 -0.162 21.692 1.00 0.00 H ATOM 2808 H GLY B 86 13.909 -0.369 21.077 1.00 0.00 H ATOM 2809 N ARG B 87 11.010 -1.110 24.131 1.00 30.08 N ATOM 2810 CA ARG B 87 10.877 -1.133 25.573 1.00 30.21 C ATOM 2811 C ARG B 87 12.104 -1.648 26.304 1.00 31.51 C ATOM 2812 O ARG B 87 12.411 -1.167 27.395 1.00 30.89 O ATOM 2813 CB ARG B 87 9.651 -1.957 25.972 1.00 28.76 C ATOM 2814 CG ARG B 87 8.331 -1.352 25.501 1.00 26.73 C ATOM 2815 CD ARG B 87 7.122 -2.076 26.082 1.00 21.43 C ATOM 2816 NE ARG B 87 7.067 -3.484 25.706 1.00 31.41 N ATOM 2817 CZ ARG B 87 7.502 -4.487 26.467 1.00 36.74 C ATOM 2818 NH1 ARG B 87 8.031 -4.243 27.663 1.00 34.66 N ATOM 2819 NH2 ARG B 87 7.408 -5.737 26.028 1.00 33.75 N ATOM 2820 HA ARG B 87 10.758 -0.094 25.879 1.00 0.00 H ATOM 2821 HB2 ARG B 87 9.748 -2.953 25.539 1.00 0.00 H ATOM 2822 HB3 ARG B 87 9.627 -2.035 27.059 1.00 0.00 H ATOM 2823 HG2 ARG B 87 8.295 -0.307 25.808 1.00 0.00 H ATOM 2824 HG3 ARG B 87 8.286 -1.412 24.414 1.00 0.00 H ATOM 2825 HD2 ARG B 87 6.217 -1.585 25.724 1.00 0.00 H ATOM 2826 HD3 ARG B 87 7.165 -2.008 27.169 1.00 0.00 H ATOM 2827 HE ARG B 87 6.660 -3.722 24.779 1.00 0.00 H ATOM 2828 HH12 ARG B 87 8.369 -5.030 28.253 1.00 0.00 H ATOM 2829 HH11 ARG B 87 8.107 -3.265 28.008 1.00 0.00 H ATOM 2830 HH22 ARG B 87 7.747 -6.523 26.619 1.00 0.00 H ATOM 2831 HH21 ARG B 87 6.996 -5.930 25.093 1.00 0.00 H ATOM 2832 H ARG B 87 10.285 -1.582 23.554 1.00 0.00 H ATOM 2833 N ASN B 88 12.813 -2.606 25.709 1.00 31.86 N ATOM 2834 CA ASN B 88 13.991 -3.164 26.363 1.00 33.33 C ATOM 2835 C ASN B 88 14.975 -2.056 26.734 1.00 33.75 C ATOM 2836 O ASN B 88 15.576 -2.088 27.802 1.00 32.52 O ATOM 2837 CB ASN B 88 14.671 -4.221 25.475 1.00 32.59 C ATOM 2838 CG ASN B 88 15.527 -3.617 24.391 1.00 34.74 C ATOM 2839 OD1 ASN B 88 15.037 -2.884 23.533 1.00 36.69 O ATOM 2840 ND2 ASN B 88 16.823 -3.925 24.418 1.00 33.15 N ATOM 2841 HA ASN B 88 13.665 -3.657 27.279 1.00 0.00 H ATOM 2842 HB2 ASN B 88 15.300 -4.851 26.104 1.00 0.00 H ATOM 2843 HB3 ASN B 88 13.898 -4.832 25.008 1.00 0.00 H ATOM 2844 HD22 ASN B 88 17.194 -4.549 25.163 1.00 0.00 H ATOM 2845 HD21 ASN B 88 17.464 -3.541 23.694 1.00 0.00 H ATOM 2846 H ASN B 88 12.525 -2.958 24.774 1.00 0.00 H ATOM 2847 N LEU B 89 15.101 -1.063 25.862 1.00 35.10 N ATOM 2848 CA LEU B 89 15.997 0.056 26.097 1.00 35.47 C ATOM 2849 C LEU B 89 15.266 1.244 26.709 1.00 35.09 C ATOM 2850 O LEU B 89 15.866 2.038 27.433 1.00 35.35 O ATOM 2851 CB LEU B 89 16.684 0.477 24.789 1.00 34.69 C ATOM 2852 CG LEU B 89 17.750 -0.499 24.270 1.00 35.68 C ATOM 2853 CD1 LEU B 89 18.524 0.125 23.126 1.00 33.17 C ATOM 2854 CD2 LEU B 89 18.696 -0.855 25.405 1.00 33.94 C ATOM 2855 HA LEU B 89 16.753 -0.274 26.809 1.00 0.00 H ATOM 2856 HB2 LEU B 89 15.917 0.579 24.022 1.00 0.00 H ATOM 2857 HB3 LEU B 89 17.162 1.443 24.954 1.00 0.00 H ATOM 2858 HG LEU B 89 17.262 -1.402 23.903 1.00 0.00 H ATOM 2859 HD21 LEU B 89 19.177 0.051 25.773 1.00 0.00 H ATOM 2860 HD22 LEU B 89 18.133 -1.323 26.213 1.00 0.00 H ATOM 2861 HD23 LEU B 89 19.454 -1.548 25.040 1.00 0.00 H ATOM 2862 HD11 LEU B 89 17.838 0.367 22.314 1.00 0.00 H ATOM 2863 HD12 LEU B 89 19.013 1.035 23.474 1.00 0.00 H ATOM 2864 HD13 LEU B 89 19.275 -0.580 22.770 1.00 0.00 H ATOM 2865 H LEU B 89 14.542 -1.087 24.985 1.00 0.00 H ATOM 2866 N LEU B 90 13.971 1.363 26.429 1.00 33.80 N ATOM 2867 CA LEU B 90 13.188 2.472 26.978 1.00 33.02 C ATOM 2868 C LEU B 90 13.101 2.407 28.505 1.00 34.09 C ATOM 2869 O LEU B 90 13.179 3.437 29.175 1.00 34.20 O ATOM 2870 CB LEU B 90 11.782 2.497 26.355 1.00 30.21 C ATOM 2871 CG LEU B 90 11.768 2.826 24.850 1.00 30.01 C ATOM 2872 CD1 LEU B 90 10.368 2.598 24.259 1.00 27.56 C ATOM 2873 CD2 LEU B 90 12.215 4.270 24.643 1.00 26.83 C ATOM 2874 HA LEU B 90 13.703 3.397 26.721 1.00 0.00 H ATOM 2875 HB2 LEU B 90 11.327 1.517 26.496 1.00 0.00 H ATOM 2876 HB3 LEU B 90 11.190 3.249 26.876 1.00 0.00 H ATOM 2877 HG LEU B 90 12.460 2.162 24.331 1.00 0.00 H ATOM 2878 HD21 LEU B 90 11.534 4.939 25.169 1.00 0.00 H ATOM 2879 HD22 LEU B 90 13.224 4.396 25.035 1.00 0.00 H ATOM 2880 HD23 LEU B 90 12.205 4.503 23.578 1.00 0.00 H ATOM 2881 HD11 LEU B 90 10.083 1.555 24.396 1.00 0.00 H ATOM 2882 HD12 LEU B 90 9.651 3.242 24.768 1.00 0.00 H ATOM 2883 HD13 LEU B 90 10.381 2.836 23.195 1.00 0.00 H ATOM 2884 H LEU B 90 13.510 0.662 25.814 1.00 0.00 H ATOM 2885 N THR B 91 12.948 1.205 29.056 1.00 33.82 N ATOM 2886 CA THR B 91 12.876 1.050 30.505 1.00 37.52 C ATOM 2887 C THR B 91 14.192 1.497 31.155 1.00 41.21 C ATOM 2888 O THR B 91 14.199 2.037 32.263 1.00 40.00 O ATOM 2889 CB THR B 91 12.642 -0.409 30.920 1.00 38.91 C ATOM 2890 OG1 THR B 91 13.651 -1.234 30.322 1.00 40.58 O ATOM 2891 CG2 THR B 91 11.256 -0.887 30.496 1.00 37.38 C ATOM 2892 HA THR B 91 12.039 1.664 30.837 1.00 0.00 H ATOM 2893 HB THR B 91 12.701 -0.479 32.006 1.00 0.00 H ATOM 2894 HG1 THR B 91 13.599 -1.155 29.337 1.00 0.00 H ATOM 2895 HG23 THR B 91 10.498 -0.253 30.956 1.00 0.00 H ATOM 2896 HG21 THR B 91 11.170 -0.830 29.411 1.00 0.00 H ATOM 2897 HG22 THR B 91 11.114 -1.918 30.819 1.00 0.00 H ATOM 2898 H THR B 91 12.879 0.366 28.446 1.00 0.00 H ATOM 2899 N GLN B 92 15.304 1.275 30.464 1.00 42.56 N ATOM 2900 CA GLN B 92 16.604 1.653 31.002 1.00 43.09 C ATOM 2901 C GLN B 92 16.763 3.148 31.260 1.00 44.68 C ATOM 2902 O GLN B 92 17.284 3.539 32.301 1.00 45.80 O ATOM 2903 CB GLN B 92 17.724 1.149 30.088 1.00 44.20 C ATOM 2904 CG GLN B 92 18.169 -0.262 30.432 1.00 47.14 C ATOM 2905 CD GLN B 92 19.249 -0.781 29.514 1.00 51.53 C ATOM 2906 OE1 GLN B 92 20.197 -0.065 29.169 1.00 54.08 O ATOM 2907 NE2 GLN B 92 19.121 -2.041 29.118 1.00 54.29 N ATOM 2908 HA GLN B 92 16.673 1.174 31.978 1.00 0.00 H ATOM 2909 HB2 GLN B 92 17.367 1.161 29.058 1.00 0.00 H ATOM 2910 HB3 GLN B 92 18.579 1.818 30.182 1.00 0.00 H ATOM 2911 HG2 GLN B 92 18.549 -0.267 31.454 1.00 0.00 H ATOM 2912 HG3 GLN B 92 17.306 -0.925 30.363 1.00 0.00 H ATOM 2913 HE22 GLN B 92 18.306 -2.605 29.434 1.00 0.00 H ATOM 2914 HE21 GLN B 92 19.835 -2.464 28.492 1.00 0.00 H ATOM 2915 H GLN B 92 15.246 0.826 29.528 1.00 0.00 H ATOM 2916 N ILE B 93 16.317 3.985 30.327 1.00 42.81 N ATOM 2917 CA ILE B 93 16.425 5.428 30.516 1.00 41.87 C ATOM 2918 C ILE B 93 15.196 5.981 31.245 1.00 41.90 C ATOM 2919 O ILE B 93 14.909 7.177 31.185 1.00 42.54 O ATOM 2920 CB ILE B 93 16.588 6.169 29.171 1.00 41.81 C ATOM 2921 CG1 ILE B 93 15.353 5.946 28.296 1.00 41.42 C ATOM 2922 CG2 ILE B 93 17.840 5.684 28.462 1.00 42.93 C ATOM 2923 CD1 ILE B 93 15.381 6.710 27.011 1.00 40.63 C ATOM 2924 HA ILE B 93 17.315 5.599 31.122 1.00 0.00 H ATOM 2925 HB ILE B 93 16.688 7.238 29.361 1.00 0.00 H ATOM 2926 HG12 ILE B 93 15.283 4.883 28.063 1.00 0.00 H ATOM 2927 HG13 ILE B 93 14.472 6.252 28.860 1.00 0.00 H ATOM 2928 HD11 ILE B 93 15.439 7.777 27.225 1.00 0.00 H ATOM 2929 HD12 ILE B 93 16.251 6.407 26.429 1.00 0.00 H ATOM 2930 HD13 ILE B 93 14.473 6.501 26.446 1.00 0.00 H ATOM 2931 HG21 ILE B 93 18.710 5.880 29.089 1.00 0.00 H ATOM 2932 HG22 ILE B 93 17.759 4.613 28.276 1.00 0.00 H ATOM 2933 HG23 ILE B 93 17.947 6.212 27.514 1.00 0.00 H ATOM 2934 H ILE B 93 15.889 3.608 29.457 1.00 0.00 H ATOM 2935 N GLY B 94 14.472 5.094 31.921 1.00 42.25 N ATOM 2936 CA GLY B 94 13.292 5.488 32.676 1.00 43.06 C ATOM 2937 C GLY B 94 12.169 6.194 31.933 1.00 46.72 C ATOM 2938 O GLY B 94 11.522 7.084 32.492 1.00 47.08 O ATOM 2939 HA3 GLY B 94 13.624 6.156 33.471 1.00 0.00 H ATOM 2940 HA2 GLY B 94 12.871 4.583 33.115 1.00 0.00 H ATOM 2941 H GLY B 94 14.756 4.094 31.910 1.00 0.00 H ATOM 2942 N CYS B 95 11.919 5.802 30.687 1.00 46.36 N ATOM 2943 CA CYS B 95 10.859 6.423 29.908 1.00 44.79 C ATOM 2944 C CYS B 95 9.489 5.849 30.261 1.00 42.33 C ATOM 2945 O CYS B 95 9.326 4.635 30.353 1.00 43.99 O ATOM 2946 CB CYS B 95 11.119 6.232 28.415 1.00 47.30 C ATOM 2947 SG CYS B 95 9.801 6.909 27.370 1.00 56.87 S ATOM 2948 HA CYS B 95 10.857 7.486 30.149 1.00 0.00 H ATOM 2949 HB2 CYS B 95 11.209 5.165 28.212 1.00 0.00 H ATOM 2950 HB3 CYS B 95 12.055 6.729 28.159 1.00 0.00 H ATOM 2951 HG CYS B 95 10.113 6.695 26.043 1.00 0.00 H ATOM 2952 H CYS B 95 12.489 5.042 30.264 1.00 0.00 H ATOM 2953 N THR B 96 8.510 6.726 30.462 1.00 38.86 N ATOM 2954 CA THR B 96 7.144 6.304 30.790 1.00 37.04 C ATOM 2955 C THR B 96 6.119 6.922 29.837 1.00 36.65 C ATOM 2956 O THR B 96 6.439 7.807 29.047 1.00 36.43 O ATOM 2957 CB THR B 96 6.741 6.735 32.217 1.00 35.27 C ATOM 2958 OG1 THR B 96 6.836 8.161 32.327 1.00 33.81 O ATOM 2959 CG2 THR B 96 7.642 6.087 33.254 1.00 35.02 C ATOM 2960 HA THR B 96 7.144 5.217 30.703 1.00 0.00 H ATOM 2961 HB THR B 96 5.716 6.413 32.400 1.00 0.00 H ATOM 2962 HG1 THR B 96 6.228 8.583 31.669 1.00 0.00 H ATOM 2963 HG23 THR B 96 7.569 5.003 33.170 1.00 0.00 H ATOM 2964 HG21 THR B 96 8.673 6.398 33.083 1.00 0.00 H ATOM 2965 HG22 THR B 96 7.328 6.397 34.251 1.00 0.00 H ATOM 2966 H THR B 96 8.719 7.742 30.384 1.00 0.00 H ATOM 2967 N LEU B 97 4.885 6.443 29.924 1.00 37.00 N ATOM 2968 CA LEU B 97 3.791 6.961 29.119 1.00 39.16 C ATOM 2969 C LEU B 97 2.866 7.701 30.077 1.00 40.96 C ATOM 2970 O LEU B 97 2.536 7.183 31.142 1.00 40.12 O ATOM 2971 CB LEU B 97 3.016 5.818 28.462 1.00 40.42 C ATOM 2972 CG LEU B 97 3.430 5.358 27.062 1.00 40.54 C ATOM 2973 CD1 LEU B 97 2.680 4.076 26.726 1.00 40.31 C ATOM 2974 CD2 LEU B 97 3.131 6.452 26.029 1.00 38.42 C ATOM 2975 HA LEU B 97 4.170 7.609 28.329 1.00 0.00 H ATOM 2976 HB2 LEU B 97 3.098 4.954 29.121 1.00 0.00 H ATOM 2977 HB3 LEU B 97 1.973 6.130 28.402 1.00 0.00 H ATOM 2978 HG LEU B 97 4.503 5.166 27.039 1.00 0.00 H ATOM 2979 HD21 LEU B 97 2.063 6.669 26.030 1.00 0.00 H ATOM 2980 HD22 LEU B 97 3.687 7.354 26.286 1.00 0.00 H ATOM 2981 HD23 LEU B 97 3.432 6.108 25.040 1.00 0.00 H ATOM 2982 HD11 LEU B 97 2.931 3.308 27.457 1.00 0.00 H ATOM 2983 HD12 LEU B 97 1.607 4.267 26.751 1.00 0.00 H ATOM 2984 HD13 LEU B 97 2.967 3.739 25.730 1.00 0.00 H ATOM 2985 H LEU B 97 4.693 5.669 30.592 1.00 0.00 H ATOM 2986 N ASN B 98 2.436 8.903 29.716 1.00 40.68 N ATOM 2987 CA ASN B 98 1.555 9.636 30.611 1.00 43.61 C ATOM 2988 C ASN B 98 0.347 10.277 29.952 1.00 42.68 C ATOM 2989 O ASN B 98 0.429 10.778 28.835 1.00 44.05 O ATOM 2990 CB ASN B 98 2.346 10.709 31.365 1.00 45.44 C ATOM 2991 CG ASN B 98 3.468 10.123 32.200 1.00 49.41 C ATOM 2992 OD1 ASN B 98 4.476 9.658 31.666 1.00 53.57 O ATOM 2993 ND2 ASN B 98 3.292 10.126 33.515 1.00 50.27 N ATOM 2994 HA ASN B 98 1.157 8.882 31.290 1.00 0.00 H ATOM 2995 HB2 ASN B 98 2.774 11.402 30.641 1.00 0.00 H ATOM 2996 HB3 ASN B 98 1.665 11.248 32.023 1.00 0.00 H ATOM 2997 HD22 ASN B 98 2.424 10.530 33.923 1.00 0.00 H ATOM 2998 HD21 ASN B 98 4.022 9.725 34.138 1.00 0.00 H ATOM 2999 H ASN B 98 2.725 9.315 28.806 1.00 0.00 H ATOM 3000 N PHE B 99 -0.775 10.248 30.665 1.00 42.74 N ATOM 3001 CA PHE B 99 -2.021 10.847 30.203 1.00 44.37 C ATOM 3002 C PHE B 99 -3.090 10.743 31.287 1.00 46.38 C ATOM 3003 O PHE B 99 -2.866 9.992 32.259 1.00 46.09 O ATOM 3004 CB PHE B 99 -2.524 10.161 28.924 1.00 44.04 C ATOM 3005 CG PHE B 99 -3.058 8.770 29.139 1.00 42.46 C ATOM 3006 CD1 PHE B 99 -2.207 7.672 29.127 1.00 43.35 C ATOM 3007 CD2 PHE B 99 -4.425 8.557 29.335 1.00 43.04 C ATOM 3008 CE1 PHE B 99 -2.703 6.379 29.302 1.00 40.35 C ATOM 3009 CE2 PHE B 99 -4.932 7.269 29.513 1.00 41.22 C ATOM 3010 CZ PHE B 99 -4.066 6.178 29.495 1.00 44.18 C ATOM 3011 HA PHE B 99 -1.825 11.896 29.982 1.00 0.00 H ATOM 3012 OXT PHE B 99 -4.145 11.399 31.146 1.00 48.99 O ATOM 3013 HB2 PHE B 99 -3.321 10.771 28.499 1.00 0.00 H ATOM 3014 HB3 PHE B 99 -1.696 10.104 28.218 1.00 0.00 H ATOM 3015 HD2 PHE B 99 -5.105 9.409 29.349 1.00 0.00 H ATOM 3016 HE2 PHE B 99 -6.001 7.117 29.665 1.00 0.00 H ATOM 3017 HZ PHE B 99 -4.455 5.169 29.632 1.00 0.00 H ATOM 3018 HE1 PHE B 99 -2.023 5.527 29.287 1.00 0.00 H ATOM 3019 HD1 PHE B 99 -1.138 7.822 28.979 1.00 0.00 H ATOM 3020 H PHE B 99 -0.763 9.778 31.592 1.00 0.00 H TER 3021 PHE B 99 HETATM 3022 O HOH 1 0.988 13.953 22.597 1.00 29.05 O HETATM 3023 O HOH 2 5.173 -3.312 12.053 1.00 24.58 O HETATM 3024 O HOH 3 -5.859 5.279 11.934 1.00 32.81 O HETATM 3025 O HOH 4 -5.122 -10.598 13.165 1.00 37.08 O HETATM 3026 O HOH 5 -3.377 -7.385 3.118 1.00 29.13 O HETATM 3027 O HOH 6 -9.828 -5.510 6.536 1.00 36.97 O HETATM 3028 O HOH 7 -11.790 12.301 28.842 1.00 34.87 O HETATM 3029 O HOH 8 4.707 7.350 15.015 1.00 39.24 O HETATM 3030 O HOH 9 -6.888 8.515 34.850 1.00 53.87 O HETATM 3031 O HOH 10 5.553 -2.231 32.869 1.00 46.19 O HETATM 3032 O HOH 11 -8.888 -8.544 22.327 1.00 47.92 O HETATM 3033 O HOH 12 -11.639 10.228 11.568 1.00 38.59 O HETATM 3034 O HOH 13 5.793 5.793 13.020 1.00 42.36 O HETATM 3035 O HOH 14 -15.948 6.292 7.543 1.00 47.19 O HETATM 3036 O HOH 15 -6.433 12.796 15.496 1.00 40.21 O HETATM 3037 O HOH 16 -0.754 10.141 13.391 1.00 39.71 O HETATM 3038 O HOH 17 -5.081 9.046 36.511 1.00 59.34 O HETATM 3039 O HOH 18 -18.068 3.326 19.181 1.00 37.01 O HETATM 3040 O HOH 19 10.149 -4.855 5.294 1.00 44.73 O HETATM 3041 O HOH 20 -3.523 13.969 16.015 1.00 38.92 O HETATM 3042 O HOH 21 -1.074 12.671 15.058 1.00 45.76 O HETATM 3043 O HOH 22 0.931 -12.247 34.119 1.00 60.61 O HETATM 3044 O HOH 23 -2.134 -9.993 20.966 1.00 59.41 O HETATM 3045 O HOH 24 -5.286 1.480 32.525 1.00 47.34 O HETATM 3046 O HOH 25 -6.723 -0.260 33.804 1.00 59.10 O HETATM 3047 O HOH 26 -1.522 -5.657 32.091 1.00 43.83 O HETATM 3048 O HOH 27 3.076 -10.753 36.880 1.00 50.15 O HETATM 3049 O HOH 28 -7.043 -1.370 31.636 1.00 59.26 O HETATM 3050 O HOH 29 5.479 -10.848 36.210 1.00 48.92 O HETATM 3051 O HOH 30 -14.092 12.314 28.510 1.00 56.07 O HETATM 3052 O HOH 31 -17.314 13.320 28.822 1.00 50.92 O HETATM 3053 O HOH 32 -3.967 6.370 1.347 1.00 53.04 O HETATM 3054 O HOH 33 5.640 -3.365 23.452 1.00 33.10 O HETATM 3055 O HOH 34 29.802 -11.222 11.256 1.00 36.12 O HETATM 3056 O HOH 35 13.060 -16.108 15.429 1.00 36.82 O HETATM 3057 O HOH 36 7.831 -11.214 16.481 1.00 36.43 O HETATM 3058 O HOH 37 6.086 -13.115 6.790 1.00 38.51 O HETATM 3059 O HOH 38 14.322 -10.212 6.088 1.00 30.36 O HETATM 3060 O HOH 39 9.474 2.465 31.883 1.00 41.58 O HETATM 3061 O HOH 40 18.161 -5.841 26.619 1.00 30.57 O HETATM 3062 O HOH 41 7.086 -5.776 19.745 1.00 35.75 O HETATM 3063 O HOH 42 20.079 5.172 31.768 1.00 43.62 O HETATM 3064 O HOH 43 17.463 15.535 29.685 1.00 54.97 O HETATM 3065 O HOH 44 7.175 13.888 18.816 1.00 34.56 O HETATM 3066 O HOH 45 10.063 14.512 18.504 1.00 38.41 O HETATM 3067 O HOH 46 5.144 -5.283 21.344 1.00 41.70 O HETATM 3068 O HOH 47 11.517 6.395 5.044 1.00 52.24 O HETATM 3069 O HOH 48 2.970 14.523 32.505 1.00 53.27 O HETATM 3070 O HOH 49 17.411 15.299 18.205 1.00 51.44 O HETATM 3071 O HOH 50 17.547 -8.838 26.949 1.00 55.01 O HETATM 3072 O HOH 51 7.973 -7.975 28.131 1.00 47.02 O HETATM 3073 O HOH 52 20.744 -16.740 6.914 1.00 53.21 O HETATM 3074 O HOH 53 11.355 -9.236 19.830 1.00 50.92 O HETATM 3075 O HOH 54 29.371 -9.179 25.460 1.00 59.54 O HETATM 3076 O HOH 55 0.386 -8.128 8.781 1.00 39.68 O HETATM 3077 O HOH 56 22.120 -15.644 24.630 1.00 56.03 O HETATM 3078 O HOH 57 28.272 8.783 20.628 1.00 41.39 O HETATM 3079 O HOH 58 32.523 -12.335 22.359 1.00 61.25 O HETATM 3080 C1 UNN A 59 2.007 2.816 10.635 1.00 0.08 C HETATM 3081 C4 UNN A 59 2.169 1.359 11.098 1.00 0.11 C HETATM 3082 C2 UNN A 59 0.820 1.025 11.742 1.00 0.00 C HETATM 3083 C25 UNN A 59 -0.028 2.294 11.619 1.00 0.05 C HETATM 3084 O6 UNN A 59 0.820 3.365 11.258 1.00 -0.38 O HETATM 3085 H30 UNN A 59 -0.512 2.512 12.582 1.00 0.06 H HETATM 3086 H31 UNN A 59 -0.797 2.153 10.846 1.00 0.06 H HETATM 3087 H3 UNN A 59 0.957 0.757 12.800 1.00 0.03 H HETATM 3088 H4 UNN A 59 0.339 0.190 11.211 1.00 0.03 H HETATM 3089 O1 UNN A 59 3.184 1.265 12.109 1.00 -0.26 O HETATM 3090 C3 UNN A 59 3.825 0.093 12.525 1.00 0.32 C HETATM 3091 N1 UNN A 59 4.655 0.461 13.481 1.00 -0.26 N HETATM 3092 C5 UNN A 59 5.695 -0.311 14.144 1.00 0.08 C HETATM 3093 C6 UNN A 59 5.167 -0.686 15.605 1.00 0.10 C HETATM 3094 C14 UNN A 59 5.757 -1.856 16.550 1.00 0.06 C HETATM 3095 N2 UNN A 59 5.865 -3.337 16.211 1.00 -0.23 N HETATM 3096 C15 UNN A 59 4.566 -4.270 16.225 1.00 0.03 C HETATM 3097 C16 UNN A 59 3.196 -3.761 15.820 1.00 -0.03 C HETATM 3098 C23 UNN A 59 2.544 -2.856 16.857 1.00 -0.06 C HETATM 3099 H24 UNN A 59 1.559 -2.530 16.492 1.00 0.02 H HETATM 3100 H25 UNN A 59 3.181 -1.976 17.028 1.00 0.02 H HETATM 3101 H26 UNN A 59 2.421 -3.408 17.800 1.00 0.02 H HETATM 3102 C24 UNN A 59 3.116 -3.164 14.391 1.00 -0.06 C HETATM 3103 H27 UNN A 59 3.598 -3.850 13.679 1.00 0.02 H HETATM 3104 H28 UNN A 59 3.632 -2.193 14.370 1.00 0.02 H HETATM 3105 H29 UNN A 59 2.062 -3.026 14.110 1.00 0.02 H HETATM 3106 H19 UNN A 59 2.565 -4.661 15.787 1.00 0.03 H HETATM 3107 H17 UNN A 59 4.789 -5.115 15.556 1.00 0.05 H HETATM 3108 H18 UNN A 59 4.464 -4.636 17.257 1.00 0.05 H HETATM 3109 S1 UNN A 59 7.035 -3.736 14.911 1.00 0.06 S HETATM 3110 C17 UNN A 59 8.316 -4.428 15.809 1.00 0.09 C HETATM 3111 C18 UNN A 59 9.532 -3.698 16.142 1.00 -0.05 C HETATM 3112 C19 UNN A 59 10.550 -4.346 16.946 1.00 -0.04 C HETATM 3113 C20 UNN A 59 10.324 -5.701 17.396 1.00 0.04 C HETATM 3114 C21 UNN A 59 9.140 -6.404 17.065 1.00 -0.04 C HETATM 3115 C22 UNN A 59 8.138 -5.763 16.273 1.00 -0.05 C HETATM 3116 H23 UNN A 59 7.230 -6.300 16.022 1.00 0.06 H HETATM 3117 H22 UNN A 59 8.995 -7.421 17.410 1.00 0.05 H HETATM 3118 N3 UNN A 59 11.217 -6.303 18.124 1.00 -0.34 N HETATM 3119 H33 UNN A 59 12.087 -5.815 18.380 1.00 0.17 H HETATM 3120 H34 UNN A 59 11.054 -7.268 18.445 1.00 0.17 H HETATM 3121 H21 UNN A 59 11.464 -3.824 17.205 1.00 0.05 H HETATM 3122 H20 UNN A 59 9.674 -2.682 15.793 1.00 0.06 H HETATM 3123 O4 UNN A 59 7.606 -2.581 14.235 1.00 -0.15 O HETATM 3124 O5 UNN A 59 6.640 -4.784 14.020 1.00 -0.15 O HETATM 3125 H15 UNN A 59 5.146 -1.818 17.464 1.00 0.05 H HETATM 3126 H16 UNN A 59 6.785 -1.542 16.782 1.00 0.05 H HETATM 3127 O3 UNN A 59 5.280 0.439 16.409 1.00 -0.39 O HETATM 3128 H35 UNN A 59 4.771 0.313 17.201 1.00 0.21 H HETATM 3129 H7 UNN A 59 4.103 -0.927 15.463 1.00 0.06 H HETATM 3130 C7 UNN A 59 7.062 0.520 13.994 1.00 0.01 C HETATM 3131 C8 UNN A 59 7.388 0.797 12.550 1.00 -0.04 C HETATM 3132 C9 UNN A 59 6.964 2.073 11.975 1.00 -0.06 C HETATM 3133 C11 UNN A 59 7.226 2.404 10.584 1.00 -0.07 C HETATM 3134 C13 UNN A 59 7.927 1.463 9.735 1.00 -0.07 C HETATM 3135 C12 UNN A 59 8.364 0.166 10.311 1.00 -0.07 C HETATM 3136 C10 UNN A 59 8.097 -0.176 11.717 1.00 -0.06 C HETATM 3137 H11 UNN A 59 8.418 -1.127 12.127 1.00 0.06 H HETATM 3138 H13 UNN A 59 8.890 -0.543 9.683 1.00 0.06 H HETATM 3139 H14 UNN A 59 8.129 1.701 8.697 1.00 0.06 H HETATM 3140 H12 UNN A 59 6.897 3.355 10.182 1.00 0.06 H HETATM 3141 H10 UNN A 59 6.442 2.788 12.600 1.00 0.06 H HETATM 3142 H8 UNN A 59 7.883 -0.060 14.440 1.00 0.04 H HETATM 3143 H9 UNN A 59 6.958 1.477 14.526 1.00 0.04 H HETATM 3144 H6 UNN A 59 5.838 -1.260 13.607 1.00 0.06 H HETATM 3145 H32 UNN A 59 4.556 1.405 13.795 1.00 0.19 H HETATM 3146 O2 UNN A 59 3.639 -0.990 12.113 1.00 -0.38 O HETATM 3147 H5 UNN A 59 2.399 0.691 10.255 1.00 0.07 H HETATM 3148 H1 UNN A 59 1.901 2.848 9.541 1.00 0.06 H HETATM 3149 H2 UNN A 59 2.889 3.401 10.935 1.00 0.06 H CONECT 3080 3081 3084 3148 3149 CONECT 3081 3080 3082 3089 3147 CONECT 3082 3081 3083 3087 3088 CONECT 3083 3082 3084 3085 3086 CONECT 3084 3080 3083 CONECT 3085 3083 CONECT 3086 3083 CONECT 3087 3082 CONECT 3088 3082 CONECT 3089 3081 3090 CONECT 3090 3089 3091 3146 CONECT 3091 3090 3092 3145 CONECT 3092 3091 3093 3130 3144 CONECT 3093 3092 3094 3127 3129 CONECT 3094 3093 3095 3125 3126 CONECT 3095 3094 3096 3109 CONECT 3096 3095 3097 3107 3108 CONECT 3097 3096 3098 3102 3106 CONECT 3098 3097 3099 3100 3101 CONECT 3099 3098 CONECT 3100 3098 CONECT 3101 3098 CONECT 3102 3097 3103 3104 3105 CONECT 3103 3102 CONECT 3104 3102 CONECT 3105 3102 CONECT 3106 3097 CONECT 3107 3096 CONECT 3108 3096 CONECT 3109 3095 3110 3123 3124 CONECT 3110 3109 3111 3115 CONECT 3111 3110 3112 3122 CONECT 3112 3111 3113 3121 CONECT 3113 3112 3114 3118 CONECT 3114 3113 3115 3117 CONECT 3115 3110 3114 3116 CONECT 3116 3115 CONECT 3117 3114 CONECT 3118 3113 3119 3120 CONECT 3119 3118 CONECT 3120 3118 CONECT 3121 3112 CONECT 3122 3111 CONECT 3123 3109 CONECT 3124 3109 CONECT 3125 3094 CONECT 3126 3094 CONECT 3127 3093 3128 CONECT 3128 3127 CONECT 3129 3093 CONECT 3130 3092 3131 3142 3143 CONECT 3131 3130 3132 3136 CONECT 3132 3131 3133 3141 CONECT 3133 3132 3134 3140 CONECT 3134 3133 3135 3139 CONECT 3135 3134 3136 3138 CONECT 3136 3131 3135 3137 CONECT 3137 3136 CONECT 3138 3135 CONECT 3139 3134 CONECT 3140 3133 CONECT 3141 3132 CONECT 3142 3130 CONECT 3143 3130 CONECT 3144 3092 CONECT 3145 3091 CONECT 3146 3090 CONECT 3147 3081 CONECT 3148 3080 CONECT 3149 3080 MASTER 0 0 0 0 0 0 0 0 3147 2 70 16 END
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Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 1t7j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1hpv
RCSB PDB
PDBbind
478
3ekp
RCSB PDB
PDBbind
478
3ekv
RCSB PDB
PDBbind
478
3nu3
RCSB PDB
PDBbind
478
3nu4
RCSB PDB
PDBbind
478
3nu5
RCSB PDB
PDBbind
478
3nu6
RCSB PDB
PDBbind
478
3nu9
RCSB PDB
PDBbind
478
3nuj
RCSB PDB
PDBbind
478
3nuo
RCSB PDB
PDBbind
478
3s43
RCSB PDB
PDBbind
478
3s45
RCSB PDB
PDBbind
478
3sm2
RCSB PDB
PDBbind
478
5kr0
RCSB PDB
PDBbind
478
Entry Information
PDB ID
1t7j
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
pol polyprotein
Ligand Name
478
EC.Number
E.C.3.4.23.16
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=2.0nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v48 pp. 1813-22, 2005
Ligand Properties
Formula
C
2
5
H
3
5
N
3
O
6
S
Molecular Weight
505.627
Exact Mass
505.225
No. of atoms
70
No. of bonds
72
Polar Surface Area
139.57
LOGP Value
2.89 (
Computed with XLOGP3
)
4.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)O)C
InChI String
InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/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):
P35963
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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