Browse entries in the PDBbind-CN Database
HEADER 6F5M_COMPLEX COMPND 6F5M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 218 ILE VAL GLY GLY ARG ARG ALA ARG PRO HIS ALA TRP PRO SEQRES 2 A 218 PHE MET VAL SER LEU GLN LEU ARG GLY GLY HIS PHE CYS SEQRES 3 A 218 GLY ALA THR LEU ILE ALA PRO ASN PHE VAL MET SER ALA SEQRES 4 A 218 ALA HIS CYS VAL ALA ASN VAL ASN VAL ARG ALA VAL ARG SEQRES 5 A 218 VAL VAL LEU GLY ALA HIS ASN LEU SER ARG ARG GLU PRO SEQRES 6 A 218 THR ARG GLN VAL PHE ALA VAL GLN ARG ILE PHE GLU ASN SEQRES 7 A 218 GLY TYR ASP PRO VAL ASN LEU LEU ASN ASP ILE VAL ILE SEQRES 8 A 218 LEU GLN LEU ASN GLY SER ALA THR ILE ASN ALA ASN VAL SEQRES 9 A 218 GLN VAL ALA GLN LEU PRO ALA GLN GLY ARG ARG LEU GLY SEQRES 10 A 218 ASN GLY VAL GLN CYS LEU ALA MET GLY TRP GLY LEU LEU SEQRES 11 A 218 GLY ARG ASN ARG GLY ILE ALA SER VAL LEU GLN GLU LEU SEQRES 12 A 218 ASN VAL THR VAL VAL THR SER LEU CYS ARG ARG SER ASN SEQRES 13 A 218 VAL CYS THR LEU VAL ARG GLY ARG GLN ALA GLY VAL CYS SEQRES 14 A 218 PHE GLY ASP SER GLY SER PRO LEU VAL CYS ASN GLY LEU SEQRES 15 A 218 ILE HIS GLY ILE ALA SER PHE VAL ARG GLY GLY CYS ALA SEQRES 16 A 218 SER GLY LEU TYR PRO ASP ALA PHE ALA PRO VAL ALA GLN SEQRES 17 A 218 PHE VAL ASN TRP ILE ASP SER ILE ILE GLN HET CQH A 240 66 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 33.611 19.726 20.739 1.00 52.19 N ATOM 2 CA ILE A 16 32.771 20.304 19.698 1.00 47.88 C ATOM 3 C ILE A 16 31.760 19.274 19.207 1.00 48.63 C ATOM 4 O ILE A 16 32.118 18.139 18.893 1.00 45.35 O ATOM 5 CB ILE A 16 33.621 20.833 18.532 1.00 46.51 C ATOM 6 CG1 ILE A 16 34.670 21.826 19.039 1.00 44.49 C ATOM 7 CG2 ILE A 16 32.735 21.483 17.483 1.00 44.70 C ATOM 8 CD1 ILE A 16 34.088 23.109 19.590 1.00 41.94 C ATOM 9 HN3 ILE A 16 34.120 18.904 20.356 1.00 0.00 H ATOM 10 HN2 ILE A 16 33.015 19.425 21.537 1.00 0.00 H ATOM 11 HN1 ILE A 16 34.296 20.438 21.065 1.00 0.00 H ATOM 12 N VAL A 17 30.493 19.674 19.144 1.00 49.25 N ATOM 13 CA VAL A 17 29.408 18.807 18.698 1.00 52.12 C ATOM 14 C VAL A 17 29.033 19.193 17.275 1.00 55.68 C ATOM 15 O VAL A 17 28.781 20.369 16.989 1.00 56.28 O ATOM 16 CB VAL A 17 28.193 18.906 19.634 1.00 49.21 C ATOM 17 CG1 VAL A 17 27.102 17.938 19.195 1.00 48.23 C ATOM 18 CG2 VAL A 17 28.610 18.633 21.066 1.00 43.55 C ATOM 19 H VAL A 17 30.266 20.649 19.425 1.00 0.00 H ATOM 20 N GLY A 18 29.006 18.206 16.382 1.00 56.85 N ATOM 21 CA GLY A 18 28.641 18.460 15.002 1.00 53.89 C ATOM 22 C GLY A 18 29.681 19.190 14.185 1.00 50.75 C ATOM 23 O GLY A 18 29.345 19.770 13.150 1.00 61.48 O ATOM 24 H GLY A 18 29.250 17.239 16.678 1.00 0.00 H ATOM 25 N GLY A 19 30.936 19.172 14.610 1.00 51.00 N ATOM 26 CA GLY A 19 32.011 19.840 13.905 1.00 50.41 C ATOM 27 C GLY A 19 32.718 18.944 12.912 1.00 52.49 C ATOM 28 O GLY A 19 32.155 17.971 12.399 1.00 54.07 O ATOM 29 H GLY A 19 31.158 18.657 15.486 1.00 0.00 H ATOM 30 N ARG A 20 33.975 19.281 12.635 1.00 52.67 N ATOM 31 CA ARG A 20 34.805 18.526 11.711 1.00 54.80 C ATOM 32 C ARG A 20 36.233 18.518 12.233 1.00 60.05 C ATOM 33 O ARG A 20 36.608 19.334 13.078 1.00 67.67 O ATOM 34 CB ARG A 20 34.766 19.125 10.299 1.00 56.74 C ATOM 35 CG ARG A 20 35.309 20.544 10.233 1.00 55.84 C ATOM 36 CD ARG A 20 35.246 21.113 8.825 1.00 58.03 C ATOM 37 NE ARG A 20 35.728 22.491 8.780 1.00 57.27 N ATOM 38 CZ ARG A 20 34.959 23.559 8.971 1.00 58.49 C ATOM 39 NH1 ARG A 20 33.665 23.412 9.217 1.00 58.91 N ATOM 40 NH2 ARG A 20 35.483 24.776 8.913 1.00 58.22 N ATOM 41 HE ARG A 20 36.738 22.647 8.586 1.00 0.00 H ATOM 42 HH12 ARG A 20 33.066 24.249 9.366 1.00 0.00 H ATOM 43 HH11 ARG A 20 33.249 22.460 9.261 1.00 0.00 H ATOM 44 HH22 ARG A 20 34.880 25.610 9.063 1.00 0.00 H ATOM 45 HH21 ARG A 20 36.497 24.897 8.718 1.00 0.00 H ATOM 46 H ARG A 20 34.380 20.119 13.099 1.00 0.00 H ATOM 47 N ARG A 21 37.030 17.583 11.722 1.00 56.41 N ATOM 48 CA ARG A 21 38.440 17.548 12.081 1.00 55.76 C ATOM 49 C ARG A 21 39.163 18.757 11.507 1.00 55.80 C ATOM 50 O ARG A 21 38.964 19.130 10.347 1.00 64.11 O ATOM 51 CB ARG A 21 39.098 16.262 11.579 1.00 58.10 C ATOM 52 CG ARG A 21 38.833 15.043 12.444 1.00 76.23 C ATOM 53 CD ARG A 21 39.397 13.782 11.807 1.00 78.36 C ATOM 54 NE ARG A 21 39.280 12.626 12.691 1.00 84.59 N ATOM 55 CZ ARG A 21 39.502 11.371 12.315 1.00 91.16 C ATOM 56 NH1 ARG A 21 39.853 11.105 11.064 1.00 95.26 N ATOM 57 NH2 ARG A 21 39.373 10.382 13.189 1.00 89.35 N ATOM 58 HE ARG A 21 39.005 12.796 13.679 1.00 0.00 H ATOM 59 HH12 ARG A 21 40.027 10.123 10.770 1.00 0.00 H ATOM 60 HH11 ARG A 21 39.955 11.879 10.377 1.00 0.00 H ATOM 61 HH22 ARG A 21 39.547 9.400 12.893 1.00 0.00 H ATOM 62 HH21 ARG A 21 39.098 10.588 14.171 1.00 0.00 H ATOM 63 H ARG A 21 36.644 16.875 11.064 1.00 0.00 H ATOM 64 N ALA A 22 40.005 19.374 12.328 1.00 54.20 N ATOM 65 CA ALA A 22 40.796 20.502 11.869 1.00 54.28 C ATOM 66 C ALA A 22 42.042 20.007 11.149 1.00 69.94 C ATOM 67 O ALA A 22 42.523 18.895 11.387 1.00 67.34 O ATOM 68 CB ALA A 22 41.187 21.402 13.042 1.00 51.88 C ATOM 69 H ALA A 22 40.099 19.046 13.310 1.00 0.00 H ATOM 70 N ARG A 23 42.558 20.841 10.255 1.00 65.98 N ATOM 71 CA ARG A 23 43.810 20.518 9.594 1.00 59.49 C ATOM 72 C ARG A 23 44.945 20.505 10.614 1.00 58.32 C ATOM 73 O ARG A 23 44.936 21.298 11.561 1.00 62.04 O ATOM 74 CB ARG A 23 44.102 21.513 8.473 1.00 78.08 C ATOM 75 CG ARG A 23 43.434 21.122 7.169 1.00 84.82 C ATOM 76 CD ARG A 23 44.065 19.859 6.602 1.00 97.38 C ATOM 77 NE ARG A 23 43.337 19.346 5.445 1.00105.06 N ATOM 78 CZ ARG A 23 42.328 18.484 5.526 1.00105.47 C ATOM 79 NH1 ARG A 23 41.927 18.040 6.711 1.00 99.66 N ATOM 80 NH2 ARG A 23 41.718 18.066 4.425 1.00109.60 N ATOM 81 HE ARG A 23 43.625 19.674 4.501 1.00 0.00 H ATOM 82 HH12 ARG A 23 41.138 17.366 6.774 1.00 0.00 H ATOM 83 HH11 ARG A 23 42.402 18.366 7.577 1.00 0.00 H ATOM 84 HH22 ARG A 23 40.929 17.392 4.492 1.00 0.00 H ATOM 85 HH21 ARG A 23 42.029 18.413 3.495 1.00 0.00 H ATOM 86 H ARG A 23 42.065 21.728 10.027 1.00 0.00 H ATOM 87 N PRO A 24 45.914 19.602 10.466 1.00 71.65 N ATOM 88 CA PRO A 24 47.009 19.515 11.444 1.00 68.38 C ATOM 89 C PRO A 24 47.729 20.845 11.605 1.00 63.69 C ATOM 90 O PRO A 24 48.308 21.380 10.655 1.00 62.09 O ATOM 91 CB PRO A 24 47.925 18.440 10.847 1.00 62.01 C ATOM 92 CG PRO A 24 47.018 17.605 10.007 1.00 63.72 C ATOM 93 CD PRO A 24 46.013 18.559 9.431 1.00 63.00 C ATOM 94 N HIS A 25 47.673 21.382 12.826 1.00 59.08 N ATOM 95 CA HIS A 25 48.320 22.646 13.181 1.00 56.23 C ATOM 96 C HIS A 25 47.788 23.808 12.347 1.00 61.47 C ATOM 97 O HIS A 25 48.527 24.738 12.012 1.00 65.89 O ATOM 98 CB HIS A 25 49.842 22.540 13.050 1.00 56.02 C ATOM 99 CG HIS A 25 50.429 21.377 13.787 1.00 65.71 C ATOM 100 ND1 HIS A 25 50.777 20.200 13.159 1.00 66.28 N ATOM 101 CD2 HIS A 25 50.722 21.205 15.097 1.00 65.38 C ATOM 102 CE1 HIS A 25 51.263 19.355 14.051 1.00 65.76 C ATOM 103 NE2 HIS A 25 51.241 19.940 15.235 1.00 67.64 N ATOM 104 H HIS A 25 47.142 20.876 13.563 1.00 0.00 H ATOM 105 N ALA A 26 46.498 23.762 12.004 1.00 57.35 N ATOM 106 CA ALA A 26 45.890 24.856 11.256 1.00 61.80 C ATOM 107 C ALA A 26 45.760 26.117 12.099 1.00 64.97 C ATOM 108 O ALA A 26 45.713 27.225 11.552 1.00 70.26 O ATOM 109 CB ALA A 26 44.519 24.433 10.726 1.00 56.52 C ATOM 110 H ALA A 26 45.922 22.939 12.273 1.00 0.00 H ATOM 111 N TRP A 27 45.697 25.973 13.422 1.00 58.33 N ATOM 112 CA TRP A 27 45.531 27.097 14.343 1.00 60.53 C ATOM 113 C TRP A 27 46.624 27.004 15.398 1.00 59.78 C ATOM 114 O TRP A 27 46.394 26.513 16.512 1.00 54.48 O ATOM 115 CB TRP A 27 44.130 27.092 14.955 1.00 60.49 C ATOM 116 CG TRP A 27 43.086 26.767 13.932 1.00 60.37 C ATOM 117 CD1 TRP A 27 42.362 25.615 13.835 1.00 55.05 C ATOM 118 CD2 TRP A 27 42.671 27.595 12.838 1.00 55.41 C ATOM 119 NE1 TRP A 27 41.513 25.678 12.756 1.00 49.83 N ATOM 120 CE2 TRP A 27 41.684 26.884 12.128 1.00 56.68 C ATOM 121 CE3 TRP A 27 43.033 28.871 12.396 1.00 53.83 C ATOM 122 CZ2 TRP A 27 41.059 27.404 10.997 1.00 61.35 C ATOM 123 CZ3 TRP A 27 42.409 29.386 11.274 1.00 59.80 C ATOM 124 CH2 TRP A 27 41.431 28.655 10.589 1.00 63.09 C ATOM 125 HE1 TRP A 27 40.849 24.932 12.464 1.00 0.00 H ATOM 126 H TRP A 27 45.769 25.015 13.819 1.00 0.00 H ATOM 127 N PRO A 28 47.832 27.477 15.079 1.00 58.13 N ATOM 128 CA PRO A 28 48.974 27.276 15.988 1.00 51.67 C ATOM 129 C PRO A 28 48.837 27.971 17.334 1.00 46.30 C ATOM 130 O PRO A 28 49.667 27.723 18.218 1.00 48.64 O ATOM 131 CB PRO A 28 50.160 27.840 15.192 1.00 61.14 C ATOM 132 CG PRO A 28 49.545 28.795 14.218 1.00 60.57 C ATOM 133 CD PRO A 28 48.211 28.213 13.861 1.00 56.09 C ATOM 134 N PHE A 29 47.833 28.821 17.527 1.00 45.14 N ATOM 135 CA PHE A 29 47.610 29.457 18.818 1.00 49.90 C ATOM 136 C PHE A 29 46.752 28.613 19.751 1.00 54.06 C ATOM 137 O PHE A 29 46.540 29.009 20.902 1.00 41.60 O ATOM 138 CB PHE A 29 46.965 30.834 18.628 1.00 48.12 C ATOM 139 CG PHE A 29 45.781 30.828 17.705 1.00 47.67 C ATOM 140 CD1 PHE A 29 44.530 30.439 18.158 1.00 42.49 C ATOM 141 CD2 PHE A 29 45.919 31.221 16.383 1.00 44.83 C ATOM 142 CE1 PHE A 29 43.442 30.435 17.309 1.00 47.41 C ATOM 143 CE2 PHE A 29 44.835 31.221 15.531 1.00 48.35 C ATOM 144 CZ PHE A 29 43.596 30.827 15.994 1.00 55.02 C ATOM 145 H PHE A 29 47.192 29.037 16.737 1.00 0.00 H ATOM 146 N MET A 30 46.262 27.466 19.287 1.00 52.36 N ATOM 147 CA MET A 30 45.391 26.635 20.104 1.00 42.23 C ATOM 148 C MET A 30 46.185 25.948 21.208 1.00 42.75 C ATOM 149 O MET A 30 47.280 25.428 20.980 1.00 53.37 O ATOM 150 CB MET A 30 44.683 25.595 19.238 1.00 43.15 C ATOM 151 CG MET A 30 43.680 24.746 19.998 1.00 55.87 C ATOM 152 SD MET A 30 42.451 25.737 20.866 1.00 58.41 S ATOM 153 CE MET A 30 41.629 24.482 21.843 1.00 47.60 C ATOM 154 H MET A 30 46.506 27.158 18.324 1.00 0.00 H ATOM 155 N VAL A 31 45.620 25.951 22.412 1.00 40.91 N ATOM 156 CA VAL A 31 46.292 25.462 23.608 1.00 45.56 C ATOM 157 C VAL A 31 45.397 24.433 24.282 1.00 46.56 C ATOM 158 O VAL A 31 44.170 24.577 24.295 1.00 42.30 O ATOM 159 CB VAL A 31 46.616 26.618 24.578 1.00 50.22 C ATOM 160 CG1 VAL A 31 47.369 26.108 25.787 1.00 48.24 C ATOM 161 CG2 VAL A 31 47.398 27.716 23.869 1.00 51.95 C ATOM 162 H VAL A 31 44.652 26.320 22.504 1.00 0.00 H ATOM 163 N SER A 32 46.012 23.394 24.845 1.00 46.23 N ATOM 164 CA SER A 32 45.305 22.386 25.623 1.00 44.93 C ATOM 165 C SER A 32 45.787 22.449 27.066 1.00 44.10 C ATOM 166 O SER A 32 46.984 22.295 27.331 1.00 45.65 O ATOM 167 CB SER A 32 45.527 20.987 25.044 1.00 45.50 C ATOM 168 OG SER A 32 44.997 19.990 25.901 1.00 42.66 O ATOM 169 HG SER A 32 44.024 20.136 26.013 1.00 0.00 H ATOM 170 H SER A 32 47.041 23.299 24.724 1.00 0.00 H ATOM 171 N LEU A 33 44.859 22.675 27.990 1.00 39.95 N ATOM 172 CA LEU A 33 45.155 22.635 29.415 1.00 39.96 C ATOM 173 C LEU A 33 44.874 21.232 29.936 1.00 40.74 C ATOM 174 O LEU A 33 43.786 20.692 29.716 1.00 40.52 O ATOM 175 CB LEU A 33 44.320 23.664 30.177 1.00 41.15 C ATOM 176 CG LEU A 33 44.475 25.125 29.750 1.00 40.21 C ATOM 177 CD1 LEU A 33 43.651 26.036 30.648 1.00 37.41 C ATOM 178 CD2 LEU A 33 45.938 25.536 29.762 1.00 38.76 C ATOM 179 H LEU A 33 43.888 22.888 27.685 1.00 0.00 H ATOM 180 N GLN A 34 45.854 20.642 30.617 1.00 41.81 N ATOM 181 CA GLN A 34 45.778 19.242 31.006 1.00 50.83 C ATOM 182 C GLN A 34 46.179 19.066 32.464 1.00 52.69 C ATOM 183 O GLN A 34 46.990 19.825 33.002 1.00 64.89 O ATOM 184 CB GLN A 34 46.670 18.366 30.110 1.00 51.18 C ATOM 185 CG GLN A 34 46.301 18.421 28.634 1.00 44.21 C ATOM 186 CD GLN A 34 47.173 17.528 27.776 1.00 45.94 C ATOM 187 OE1 GLN A 34 48.082 16.864 28.274 1.00 54.72 O ATOM 188 NE2 GLN A 34 46.897 17.503 26.477 1.00 46.14 N ATOM 189 HE22 GLN A 34 46.119 18.081 26.099 1.00 0.00 H ATOM 190 HE21 GLN A 34 47.459 16.906 25.837 1.00 0.00 H ATOM 191 H GLN A 34 46.695 21.196 30.877 1.00 0.00 H ATOM 192 N LEU A 35 45.600 18.045 33.094 1.00 44.20 N ATOM 193 CA LEU A 35 45.922 17.644 34.462 1.00 45.21 C ATOM 194 C LEU A 35 46.434 16.209 34.404 1.00 57.01 C ATOM 195 O LEU A 35 45.645 15.269 34.266 1.00 60.64 O ATOM 196 CB LEU A 35 44.705 17.761 35.377 1.00 44.58 C ATOM 197 CG LEU A 35 44.252 19.158 35.799 1.00 49.81 C ATOM 198 CD1 LEU A 35 42.917 19.077 36.518 1.00 50.82 C ATOM 199 CD2 LEU A 35 45.300 19.810 36.688 1.00 43.83 C ATOM 200 H LEU A 35 44.876 17.501 32.582 1.00 0.00 H ATOM 201 N ARG A 36 47.753 16.051 34.511 1.00 51.42 N ATOM 202 CA ARG A 36 48.411 14.748 34.429 1.00 51.47 C ATOM 203 C ARG A 36 48.003 14.013 33.153 1.00 52.15 C ATOM 204 O ARG A 36 47.529 12.876 33.181 1.00 54.08 O ATOM 205 CB ARG A 36 48.119 13.904 35.671 1.00 55.78 C ATOM 206 CG ARG A 36 48.485 14.585 36.979 1.00 64.74 C ATOM 207 CD ARG A 36 48.797 13.572 38.064 1.00 69.82 C ATOM 208 NE ARG A 36 50.000 12.807 37.753 1.00 76.24 N ATOM 209 CZ ARG A 36 50.351 11.682 38.366 1.00 76.24 C ATOM 210 NH1 ARG A 36 49.591 11.183 39.331 1.00 68.56 N ATOM 211 NH2 ARG A 36 51.465 11.057 38.014 1.00 81.72 N ATOM 212 HE ARG A 36 50.624 13.166 37.002 1.00 0.00 H ATOM 213 HH12 ARG A 36 49.869 10.302 39.809 1.00 0.00 H ATOM 214 HH11 ARG A 36 48.717 11.673 39.610 1.00 0.00 H ATOM 215 HH22 ARG A 36 51.741 10.176 38.493 1.00 0.00 H ATOM 216 HH21 ARG A 36 52.064 11.447 37.258 1.00 0.00 H ATOM 217 H ARG A 36 48.342 16.895 34.660 1.00 0.00 H ATOM 218 N GLY A 38 48.193 14.686 32.017 1.00 49.80 N ATOM 219 CA GLY A 38 47.914 14.109 30.720 1.00 50.20 C ATOM 220 C GLY A 38 46.470 14.165 30.271 1.00 60.13 C ATOM 221 O GLY A 38 46.191 13.852 29.106 1.00 63.67 O ATOM 222 H GLY A 38 48.554 15.660 32.065 1.00 0.00 H ATOM 223 N GLY A 39 45.542 14.553 31.144 1.00 47.65 N ATOM 224 CA GLY A 39 44.134 14.561 30.820 1.00 46.60 C ATOM 225 C GLY A 39 43.638 15.951 30.480 1.00 51.94 C ATOM 226 O GLY A 39 43.710 16.867 31.301 1.00 46.73 O ATOM 227 H GLY A 39 45.841 14.861 32.091 1.00 0.00 H ATOM 228 N HIS A 40 43.117 16.096 29.266 1.00 54.85 N ATOM 229 CA HIS A 40 42.587 17.375 28.818 1.00 42.79 C ATOM 230 C HIS A 40 41.339 17.744 29.612 1.00 46.33 C ATOM 231 O HIS A 40 40.518 16.885 29.942 1.00 54.95 O ATOM 232 CB HIS A 40 42.268 17.308 27.326 1.00 43.02 C ATOM 233 CG HIS A 40 41.592 18.531 26.796 1.00 41.72 C ATOM 234 ND1 HIS A 40 42.289 19.580 26.236 1.00 41.36 N ATOM 235 CD2 HIS A 40 40.284 18.873 26.739 1.00 55.48 C ATOM 236 CE1 HIS A 40 41.438 20.515 25.854 1.00 57.74 C ATOM 237 NE2 HIS A 40 40.215 20.113 26.150 1.00 56.82 N ATOM 238 H HIS A 40 43.087 15.279 28.623 1.00 0.00 H ATOM 239 N PHE A 41 41.199 19.035 29.924 1.00 43.78 N ATOM 240 CA PHE A 41 39.999 19.526 30.597 1.00 39.61 C ATOM 241 C PHE A 41 39.508 20.879 30.100 1.00 42.81 C ATOM 242 O PHE A 41 38.308 21.150 30.214 1.00 47.81 O ATOM 243 CB PHE A 41 40.222 19.599 32.117 1.00 39.74 C ATOM 244 CG PHE A 41 41.168 20.686 32.551 1.00 41.75 C ATOM 245 CD1 PHE A 41 42.534 20.458 32.593 1.00 41.71 C ATOM 246 CD2 PHE A 41 40.690 21.929 32.936 1.00 42.88 C ATOM 247 CE1 PHE A 41 43.405 21.454 32.998 1.00 42.47 C ATOM 248 CE2 PHE A 41 41.557 22.928 33.339 1.00 38.39 C ATOM 249 CZ PHE A 41 42.915 22.690 33.371 1.00 39.12 C ATOM 250 H PHE A 41 41.959 19.703 29.683 1.00 0.00 H ATOM 251 N CYS A 42 40.369 21.733 29.553 1.00 42.98 N ATOM 252 CA CYS A 42 39.944 23.003 28.984 1.00 49.92 C ATOM 253 C CYS A 42 40.900 23.392 27.866 1.00 52.35 C ATOM 254 O CYS A 42 41.978 22.813 27.709 1.00 50.24 O ATOM 255 CB CYS A 42 39.889 24.111 30.041 1.00 49.12 C ATOM 256 SG CYS A 42 38.362 24.194 30.994 1.00 52.08 S ATOM 257 H CYS A 42 41.379 21.485 29.531 1.00 0.00 H ATOM 258 N GLY A 43 40.491 24.395 27.090 1.00 46.67 N ATOM 259 CA GLY A 43 41.317 24.970 26.055 1.00 40.46 C ATOM 260 C GLY A 43 41.793 26.361 26.448 1.00 43.51 C ATOM 261 O GLY A 43 41.343 26.952 27.428 1.00 48.28 O ATOM 262 H GLY A 43 39.536 24.780 27.236 1.00 0.00 H ATOM 263 N ALA A 44 42.727 26.877 25.656 1.00 44.42 N ATOM 264 CA ALA A 44 43.286 28.201 25.889 1.00 44.58 C ATOM 265 C ALA A 44 43.834 28.731 24.570 1.00 43.10 C ATOM 266 O ALA A 44 43.831 28.037 23.550 1.00 41.84 O ATOM 267 CB ALA A 44 44.365 28.166 26.975 1.00 37.39 C ATOM 268 H ALA A 44 43.068 26.319 24.847 1.00 0.00 H ATOM 269 N THR A 45 44.313 29.972 24.603 1.00 42.81 N ATOM 270 CA THR A 45 44.796 30.660 23.415 1.00 38.47 C ATOM 271 C THR A 45 46.112 31.348 23.734 1.00 42.55 C ATOM 272 O THR A 45 46.187 32.143 24.676 1.00 58.07 O ATOM 273 CB THR A 45 43.774 31.687 22.921 1.00 44.49 C ATOM 274 OG1 THR A 45 42.492 31.061 22.793 1.00 50.93 O ATOM 275 CG2 THR A 45 44.195 32.252 21.574 1.00 41.27 C ATOM 276 HG1 THR A 45 41.832 31.726 22.473 1.00 0.00 H ATOM 277 H THR A 45 44.343 30.471 25.515 1.00 0.00 H ATOM 278 N LEU A 46 47.144 31.047 22.950 1.00 40.43 N ATOM 279 CA LEU A 46 48.451 31.669 23.130 1.00 47.06 C ATOM 280 C LEU A 46 48.393 33.112 22.644 1.00 52.72 C ATOM 281 O LEU A 46 48.329 33.366 21.437 1.00 59.39 O ATOM 282 CB LEU A 46 49.515 30.881 22.372 1.00 41.46 C ATOM 283 CG LEU A 46 50.978 31.220 22.661 1.00 42.18 C ATOM 284 CD1 LEU A 46 51.375 30.715 24.038 1.00 41.85 C ATOM 285 CD2 LEU A 46 51.888 30.638 21.593 1.00 43.69 C ATOM 286 H LEU A 46 47.015 30.350 22.189 1.00 0.00 H ATOM 287 N ILE A 47 48.421 34.062 23.578 1.00 42.25 N ATOM 288 CA ILE A 47 48.346 35.483 23.255 1.00 44.68 C ATOM 289 C ILE A 47 49.685 36.179 23.388 1.00 52.21 C ATOM 290 O ILE A 47 49.778 37.382 23.101 1.00 57.15 O ATOM 291 CB ILE A 47 47.289 36.197 24.117 1.00 46.22 C ATOM 292 CG1 ILE A 47 47.650 36.087 25.597 1.00 46.21 C ATOM 293 CG2 ILE A 47 45.908 35.618 23.862 1.00 48.60 C ATOM 294 CD1 ILE A 47 46.697 36.826 26.505 1.00 50.85 C ATOM 295 H ILE A 47 48.499 33.780 24.576 1.00 0.00 H ATOM 296 N ALA A 48 50.722 35.468 23.809 1.00 58.43 N ATOM 297 CA ALA A 48 52.065 36.012 23.944 1.00 62.10 C ATOM 298 C ALA A 48 53.032 34.841 24.100 1.00 64.86 C ATOM 299 O ALA A 48 52.603 33.724 24.397 1.00 70.77 O ATOM 300 CB ALA A 48 52.166 36.963 25.148 1.00 62.39 C ATOM 301 H ALA A 48 50.568 34.470 24.056 1.00 0.00 H ATOM 302 N PRO A 49 54.333 35.068 23.888 1.00 57.55 N ATOM 303 CA PRO A 49 55.300 33.972 24.071 1.00 53.10 C ATOM 304 C PRO A 49 55.260 33.335 25.451 1.00 60.39 C ATOM 305 O PRO A 49 55.682 32.181 25.593 1.00 63.43 O ATOM 306 CB PRO A 49 56.649 34.653 23.809 1.00 47.54 C ATOM 307 CG PRO A 49 56.319 35.755 22.864 1.00 50.77 C ATOM 308 CD PRO A 49 54.959 36.254 23.274 1.00 49.84 C ATOM 309 N ASN A 50 54.759 34.038 26.469 1.00 52.39 N ATOM 310 CA ASN A 50 54.691 33.497 27.821 1.00 49.24 C ATOM 311 C ASN A 50 53.330 33.757 28.460 1.00 48.13 C ATOM 312 O ASN A 50 53.221 33.841 29.685 1.00 49.95 O ATOM 313 CB ASN A 50 55.805 34.071 28.695 1.00 48.75 C ATOM 314 CG ASN A 50 55.670 35.565 28.901 1.00 57.48 C ATOM 315 OD1 ASN A 50 55.323 36.302 27.978 1.00 59.73 O ATOM 316 ND2 ASN A 50 55.937 36.021 30.119 1.00 43.74 N ATOM 317 HD22 ASN A 50 56.227 35.362 30.869 1.00 0.00 H ATOM 318 HD21 ASN A 50 55.856 37.038 30.323 1.00 0.00 H ATOM 319 H ASN A 50 54.407 35.000 26.292 1.00 0.00 H ATOM 320 N PHE A 51 52.282 33.883 27.648 1.00 44.19 N ATOM 321 CA PHE A 51 50.947 34.165 28.161 1.00 47.05 C ATOM 322 C PHE A 51 49.908 33.410 27.349 1.00 46.21 C ATOM 323 O PHE A 51 49.919 33.462 26.116 1.00 58.67 O ATOM 324 CB PHE A 51 50.634 35.667 28.122 1.00 55.26 C ATOM 325 CG PHE A 51 51.262 36.453 29.237 1.00 53.64 C ATOM 326 CD1 PHE A 51 50.715 36.434 30.509 1.00 52.67 C ATOM 327 CD2 PHE A 51 52.389 37.224 29.009 1.00 51.14 C ATOM 328 CE1 PHE A 51 51.286 37.162 31.537 1.00 49.67 C ATOM 329 CE2 PHE A 51 52.965 37.954 30.032 1.00 54.17 C ATOM 330 CZ PHE A 51 52.412 37.923 31.298 1.00 51.37 C ATOM 331 H PHE A 51 52.419 33.778 26.623 1.00 0.00 H ATOM 332 N VAL A 52 49.015 32.713 28.047 1.00 42.92 N ATOM 333 CA VAL A 52 47.814 32.153 27.447 1.00 47.83 C ATOM 334 C VAL A 52 46.613 32.723 28.187 1.00 53.08 C ATOM 335 O VAL A 52 46.714 33.188 29.325 1.00 56.36 O ATOM 336 CB VAL A 52 47.794 30.611 27.487 1.00 40.86 C ATOM 337 CG1 VAL A 52 49.054 30.043 26.853 1.00 39.41 C ATOM 338 CG2 VAL A 52 47.633 30.115 28.916 1.00 38.22 C ATOM 339 H VAL A 52 49.182 32.563 29.062 1.00 0.00 H ATOM 340 N MET A 53 45.462 32.689 27.522 1.00 37.11 N ATOM 341 CA MET A 53 44.216 33.126 28.130 1.00 43.18 C ATOM 342 C MET A 53 43.160 32.046 27.954 1.00 44.10 C ATOM 343 O MET A 53 43.116 31.364 26.925 1.00 47.75 O ATOM 344 CB MET A 53 43.731 34.463 27.544 1.00 50.59 C ATOM 345 CG MET A 53 43.206 34.404 26.122 1.00 56.81 C ATOM 346 SD MET A 53 42.504 35.987 25.617 1.00 51.05 S ATOM 347 CE MET A 53 42.033 35.618 23.932 1.00 40.04 C ATOM 348 H MET A 53 45.453 32.341 26.542 1.00 0.00 H ATOM 349 N SER A 54 42.318 31.891 28.970 1.00 42.23 N ATOM 350 CA SER A 54 41.318 30.836 29.006 1.00 41.75 C ATOM 351 C SER A 54 40.115 31.350 29.788 1.00 42.93 C ATOM 352 O SER A 54 40.034 32.535 30.127 1.00 44.53 O ATOM 353 CB SER A 54 41.913 29.560 29.619 1.00 35.89 C ATOM 354 OG SER A 54 40.961 28.513 29.649 1.00 64.28 O ATOM 355 HG SER A 54 40.664 28.312 28.726 1.00 0.00 H ATOM 356 H SER A 54 42.376 32.551 29.772 1.00 0.00 H ATOM 357 N ALA A 55 39.179 30.452 30.081 1.00 39.03 N ATOM 358 CA ALA A 55 38.032 30.797 30.904 1.00 43.23 C ATOM 359 C ALA A 55 38.413 30.712 32.374 1.00 53.46 C ATOM 360 O ALA A 55 39.127 29.796 32.793 1.00 57.76 O ATOM 361 CB ALA A 55 36.857 29.865 30.606 1.00 43.76 C ATOM 362 H ALA A 55 39.270 29.483 29.714 1.00 0.00 H ATOM 363 N ALA A 56 37.937 31.681 33.160 1.00 53.25 N ATOM 364 CA ALA A 56 38.293 31.720 34.575 1.00 46.09 C ATOM 365 C ALA A 56 37.737 30.521 35.331 1.00 46.83 C ATOM 366 O ALA A 56 38.339 30.078 36.315 1.00 47.57 O ATOM 367 CB ALA A 56 37.800 33.020 35.208 1.00 43.21 C ATOM 368 H ALA A 56 37.311 32.410 32.763 1.00 0.00 H ATOM 369 N HIS A 57 36.601 29.981 34.891 1.00 41.20 N ATOM 370 CA HIS A 57 36.033 28.822 35.566 1.00 36.54 C ATOM 371 C HIS A 57 36.793 27.537 35.269 1.00 44.73 C ATOM 372 O HIS A 57 36.457 26.496 35.846 1.00 55.53 O ATOM 373 CB HIS A 57 34.556 28.666 35.192 1.00 36.44 C ATOM 374 CG HIS A 57 34.324 27.946 33.899 1.00 40.68 C ATOM 375 ND1 HIS A 57 34.106 28.605 32.708 1.00 46.80 N ATOM 376 CD2 HIS A 57 34.250 26.624 33.616 1.00 37.27 C ATOM 377 CE1 HIS A 57 33.923 27.719 31.745 1.00 45.39 C ATOM 378 NE2 HIS A 57 34.006 26.510 32.269 1.00 41.10 N ATOM 379 H HIS A 57 36.119 30.388 34.064 1.00 0.00 H ATOM 380 N CYS A 58 37.797 27.578 34.392 1.00 44.47 N ATOM 381 CA CYS A 58 38.621 26.398 34.153 1.00 39.14 C ATOM 382 C CYS A 58 39.683 26.233 35.234 1.00 46.98 C ATOM 383 O CYS A 58 39.931 25.114 35.696 1.00 54.17 O ATOM 384 CB CYS A 58 39.274 26.480 32.772 1.00 47.18 C ATOM 385 SG CYS A 58 38.157 26.178 31.383 1.00 52.60 S ATOM 386 H CYS A 58 37.994 28.458 33.874 1.00 0.00 H ATOM 387 N VAL A 59 40.326 27.329 35.645 1.00 51.04 N ATOM 388 CA VAL A 59 41.376 27.260 36.659 1.00 58.12 C ATOM 389 C VAL A 59 40.865 27.542 38.065 1.00 58.87 C ATOM 390 O VAL A 59 41.594 27.288 39.038 1.00 65.37 O ATOM 391 CB VAL A 59 42.529 28.234 36.333 1.00 60.03 C ATOM 392 CG1 VAL A 59 42.940 28.095 34.878 1.00 61.46 C ATOM 393 CG2 VAL A 59 42.119 29.662 36.647 1.00 71.46 C ATOM 394 H VAL A 59 40.074 28.251 35.235 1.00 0.00 H ATOM 395 N ALA A 60 39.640 28.054 38.208 1.00 53.37 N ATOM 396 CA ALA A 60 39.127 28.409 39.525 1.00 54.30 C ATOM 397 C ALA A 60 38.841 27.187 40.388 1.00 68.34 C ATOM 398 O ALA A 60 38.783 27.313 41.615 1.00 75.63 O ATOM 399 CB ALA A 60 37.857 29.250 39.390 1.00 40.48 C ATOM 400 H ALA A 60 39.044 28.201 37.368 1.00 0.00 H ATOM 401 N ASN A 61 38.658 26.016 39.783 1.00 63.33 N ATOM 402 CA ASN A 61 38.265 24.829 40.526 1.00 63.60 C ATOM 403 C ASN A 61 39.247 23.673 40.399 1.00 58.88 C ATOM 404 O ASN A 61 38.959 22.585 40.913 1.00 60.14 O ATOM 405 CB ASN A 61 36.873 24.361 40.080 1.00 68.05 C ATOM 406 CG ASN A 61 35.829 25.444 40.205 1.00 70.47 C ATOM 407 OD1 ASN A 61 35.279 25.670 41.282 1.00 75.19 O ATOM 408 ND2 ASN A 61 35.542 26.119 39.098 1.00 64.28 N ATOM 409 HD22 ASN A 61 36.033 25.893 38.209 1.00 0.00 H ATOM 410 HD21 ASN A 61 34.826 26.873 39.120 1.00 0.00 H ATOM 411 H ASN A 61 38.799 25.948 38.755 1.00 0.00 H ATOM 412 N VAL A 62 40.383 23.865 39.739 1.00 51.62 N ATOM 413 CA VAL A 62 41.388 22.819 39.605 1.00 45.75 C ATOM 414 C VAL A 62 42.631 23.209 40.395 1.00 50.97 C ATOM 415 O VAL A 62 42.824 24.366 40.782 1.00 52.81 O ATOM 416 CB VAL A 62 41.752 22.551 38.130 1.00 48.84 C ATOM 417 CG1 VAL A 62 40.508 22.207 37.327 1.00 48.17 C ATOM 418 CG2 VAL A 62 42.467 23.752 37.535 1.00 46.95 C ATOM 419 H VAL A 62 40.561 24.792 39.303 1.00 0.00 H ATOM 420 N ASN A 62A 43.485 22.215 40.635 1.00 54.75 N ATOM 421 CA ASN A 62A 44.781 22.445 41.266 1.00 55.27 C ATOM 422 C ASN A 62A 45.720 23.082 40.248 1.00 55.58 C ATOM 423 O ASN A 62A 46.180 22.418 39.315 1.00 55.27 O ATOM 424 CB ASN A 62A 45.351 21.133 41.799 1.00 49.48 C ATOM 425 CG ASN A 62A 46.728 21.298 42.416 1.00 48.64 C ATOM 426 OD1 ASN A 62A 47.156 22.409 42.729 1.00 54.97 O ATOM 427 ND2 ASN A 62A 47.427 20.185 42.600 1.00 49.84 N ATOM 428 HD22 ASN A 62A 47.026 19.267 42.321 1.00 0.00 H ATOM 429 HD21 ASN A 62A 48.376 20.231 43.024 1.00 0.00 H ATOM 430 H ASN A 62A 43.220 21.246 40.365 1.00 0.00 H ATOM 431 N VAL A 62B 46.002 24.375 40.424 1.00 50.47 N ATOM 432 CA VAL A 62B 46.792 25.106 39.440 1.00 57.52 C ATOM 433 C VAL A 62B 48.227 24.594 39.383 1.00 60.51 C ATOM 434 O VAL A 62B 48.858 24.620 38.319 1.00 65.99 O ATOM 435 CB VAL A 62B 46.740 26.613 39.748 1.00 62.82 C ATOM 436 CG1 VAL A 62B 47.449 27.409 38.661 1.00 56.85 C ATOM 437 CG2 VAL A 62B 45.295 27.065 39.903 1.00 71.98 C ATOM 438 H VAL A 62B 45.654 24.866 41.272 1.00 0.00 H ATOM 439 N ARG A 63 48.766 24.112 40.506 1.00 61.27 N ATOM 440 CA ARG A 63 50.137 23.614 40.504 1.00 57.29 C ATOM 441 C ARG A 63 50.316 22.393 39.611 1.00 56.13 C ATOM 442 O ARG A 63 51.443 22.108 39.193 1.00 63.01 O ATOM 443 CB ARG A 63 50.591 23.280 41.926 1.00 52.72 C ATOM 444 CG ARG A 63 50.698 24.486 42.839 1.00 52.73 C ATOM 445 CD ARG A 63 51.309 24.106 44.173 1.00 50.21 C ATOM 446 NE ARG A 63 52.645 23.536 44.009 1.00 55.32 N ATOM 447 CZ ARG A 63 53.764 24.254 43.975 1.00 57.17 C ATOM 448 NH1 ARG A 63 53.710 25.574 44.090 1.00 42.44 N ATOM 449 NH2 ARG A 63 54.938 23.652 43.824 1.00 46.22 N ATOM 450 HE ARG A 63 52.726 22.504 43.913 1.00 0.00 H ATOM 451 HH12 ARG A 63 54.586 26.135 44.063 1.00 0.00 H ATOM 452 HH11 ARG A 63 52.792 26.049 44.207 1.00 0.00 H ATOM 453 HH22 ARG A 63 55.812 24.215 43.798 1.00 0.00 H ATOM 454 HH21 ARG A 63 54.984 22.617 43.732 1.00 0.00 H ATOM 455 H ARG A 63 48.207 24.092 41.383 1.00 0.00 H ATOM 456 N ALA A 64 49.239 21.671 39.308 1.00 50.15 N ATOM 457 CA ALA A 64 49.303 20.492 38.457 1.00 48.44 C ATOM 458 C ALA A 64 48.878 20.774 37.023 1.00 47.70 C ATOM 459 O ALA A 64 48.944 19.872 36.182 1.00 55.44 O ATOM 460 CB ALA A 64 48.434 19.372 39.039 1.00 41.95 C ATOM 461 H ALA A 64 48.318 21.960 39.694 1.00 0.00 H ATOM 462 N VAL A 65 48.442 21.998 36.725 1.00 38.66 N ATOM 463 CA VAL A 65 48.005 22.329 35.375 1.00 48.07 C ATOM 464 C VAL A 65 49.214 22.392 34.454 1.00 54.13 C ATOM 465 O VAL A 65 50.241 22.997 34.789 1.00 64.38 O ATOM 466 CB VAL A 65 47.227 23.653 35.373 1.00 50.40 C ATOM 467 CG1 VAL A 65 46.990 24.135 33.949 1.00 34.52 C ATOM 468 CG2 VAL A 65 45.909 23.492 36.115 1.00 33.84 C ATOM 469 H VAL A 65 48.413 22.727 37.466 1.00 0.00 H ATOM 470 N ARG A 65A 49.097 21.765 33.287 1.00 52.56 N ATOM 471 CA ARG A 65A 50.135 21.786 32.267 1.00 53.12 C ATOM 472 C ARG A 65A 49.580 22.420 31.001 1.00 53.76 C ATOM 473 O ARG A 65A 48.485 22.067 30.551 1.00 51.92 O ATOM 474 CB ARG A 65A 50.661 20.378 31.981 1.00 50.68 C ATOM 475 CG ARG A 65A 51.547 19.838 33.086 1.00 54.66 C ATOM 476 CD ARG A 65A 51.745 18.339 32.988 1.00 65.74 C ATOM 477 NE ARG A 65A 52.503 17.831 34.128 1.00 71.91 N ATOM 478 CZ ARG A 65A 52.781 16.549 34.330 1.00 77.40 C ATOM 479 NH1 ARG A 65A 52.360 15.633 33.469 1.00 81.46 N ATOM 480 NH2 ARG A 65A 53.477 16.181 35.398 1.00 82.24 N ATOM 481 HE ARG A 65A 52.848 18.519 34.828 1.00 0.00 H ATOM 482 HH12 ARG A 65A 52.579 14.629 33.629 1.00 0.00 H ATOM 483 HH11 ARG A 65A 51.811 15.918 32.633 1.00 0.00 H ATOM 484 HH22 ARG A 65A 53.695 15.176 35.556 1.00 0.00 H ATOM 485 HH21 ARG A 65A 53.805 16.897 36.077 1.00 0.00 H ATOM 486 H ARG A 65A 48.223 21.235 33.094 1.00 0.00 H ATOM 487 N VAL A 66 50.339 23.351 30.437 1.00 40.21 N ATOM 488 CA VAL A 66 49.941 24.098 29.251 1.00 42.53 C ATOM 489 C VAL A 66 50.598 23.430 28.050 1.00 50.00 C ATOM 490 O VAL A 66 51.823 23.470 27.898 1.00 60.20 O ATOM 491 CB VAL A 66 50.345 25.574 29.365 1.00 40.42 C ATOM 492 CG1 VAL A 66 50.001 26.328 28.096 1.00 42.45 C ATOM 493 CG2 VAL A 66 49.670 26.209 30.570 1.00 36.01 C ATOM 494 H VAL A 66 51.265 23.558 30.863 1.00 0.00 H ATOM 495 N VAL A 67 49.785 22.823 27.190 1.00 41.06 N ATOM 496 CA VAL A 67 50.272 22.060 26.045 1.00 51.20 C ATOM 497 C VAL A 67 50.066 22.891 24.786 1.00 50.92 C ATOM 498 O VAL A 67 48.927 23.197 24.413 1.00 50.58 O ATOM 499 CB VAL A 67 49.561 20.702 25.931 1.00 48.45 C ATOM 500 CG1 VAL A 67 50.077 19.940 24.724 1.00 46.02 C ATOM 501 CG2 VAL A 67 49.765 19.887 27.200 1.00 44.68 C ATOM 502 H VAL A 67 48.758 22.895 27.340 1.00 0.00 H ATOM 503 N LEU A 68 51.165 23.249 24.129 1.00 50.55 N ATOM 504 CA LEU A 68 51.146 24.038 22.907 1.00 50.39 C ATOM 505 C LEU A 68 51.489 23.160 21.710 1.00 56.97 C ATOM 506 O LEU A 68 52.158 22.131 21.841 1.00 61.17 O ATOM 507 CB LEU A 68 52.146 25.197 22.996 1.00 50.09 C ATOM 508 CG LEU A 68 52.120 26.039 24.272 1.00 50.59 C ATOM 509 CD1 LEU A 68 53.178 27.130 24.220 1.00 47.23 C ATOM 510 CD2 LEU A 68 50.746 26.634 24.488 1.00 45.30 C ATOM 511 H LEU A 68 52.086 22.949 24.508 1.00 0.00 H ATOM 512 N GLY A 69 51.026 23.583 20.538 1.00 54.17 N ATOM 513 CA GLY A 69 51.401 22.916 19.298 1.00 49.50 C ATOM 514 C GLY A 69 50.960 21.473 19.193 1.00 54.10 C ATOM 515 O GLY A 69 51.677 20.648 18.614 1.00 64.47 O ATOM 516 H GLY A 69 50.386 24.402 20.506 1.00 0.00 H ATOM 517 N ALA A 70 49.794 21.149 19.737 1.00 50.03 N ATOM 518 CA ALA A 70 49.259 19.798 19.697 1.00 53.84 C ATOM 519 C ALA A 70 48.177 19.692 18.629 1.00 56.28 C ATOM 520 O ALA A 70 47.688 20.693 18.099 1.00 57.86 O ATOM 521 CB ALA A 70 48.705 19.400 21.068 1.00 52.76 C ATOM 522 H ALA A 70 49.241 21.891 20.211 1.00 0.00 H ATOM 523 N HIS A 71 47.801 18.453 18.318 1.00 54.80 N ATOM 524 CA HIS A 71 46.750 18.208 17.339 1.00 53.43 C ATOM 525 C HIS A 71 45.937 16.977 17.718 1.00 54.03 C ATOM 526 O HIS A 71 44.717 17.064 17.892 1.00 47.05 O ATOM 527 CB HIS A 71 47.350 18.046 15.941 1.00 53.24 C ATOM 528 CG HIS A 71 46.326 17.877 14.864 1.00 61.04 C ATOM 529 ND1 HIS A 71 46.393 16.872 13.923 1.00 62.35 N ATOM 530 CD2 HIS A 71 45.205 18.581 14.585 1.00 59.54 C ATOM 531 CE1 HIS A 71 45.359 16.968 13.107 1.00 63.97 C ATOM 532 NE2 HIS A 71 44.622 17.997 13.487 1.00 59.61 N ATOM 533 H HIS A 71 48.265 17.646 18.782 1.00 0.00 H ATOM 534 N ASN A 72 46.598 15.830 17.852 1.00 64.56 N ATOM 535 CA ASN A 72 45.954 14.594 18.286 1.00 64.03 C ATOM 536 C ASN A 72 46.466 14.280 19.687 1.00 62.83 C ATOM 537 O ASN A 72 47.648 13.967 19.867 1.00 63.96 O ATOM 538 CB ASN A 72 46.240 13.451 17.312 1.00 54.02 C ATOM 539 CG ASN A 72 45.362 12.235 17.562 1.00 55.16 C ATOM 540 OD1 ASN A 72 44.943 11.974 18.690 1.00 53.50 O ATOM 541 ND2 ASN A 72 45.076 11.486 16.502 1.00 55.93 N ATOM 542 HD22 ASN A 72 45.451 11.743 15.567 1.00 0.00 H ATOM 543 HD21 ASN A 72 44.477 10.643 16.608 1.00 0.00 H ATOM 544 H ASN A 72 47.616 15.813 17.639 1.00 0.00 H ATOM 545 N LEU A 73 45.574 14.362 20.678 1.00 55.22 N ATOM 546 CA LEU A 73 45.957 14.155 22.070 1.00 54.37 C ATOM 547 C LEU A 73 46.179 12.690 22.418 1.00 56.52 C ATOM 548 O LEU A 73 46.721 12.401 23.490 1.00 59.84 O ATOM 549 CB LEU A 73 44.894 14.747 22.999 1.00 47.01 C ATOM 550 CG LEU A 73 44.637 16.249 22.847 1.00 44.74 C ATOM 551 CD1 LEU A 73 43.675 16.743 23.912 1.00 50.58 C ATOM 552 CD2 LEU A 73 45.939 17.030 22.898 1.00 45.30 C ATOM 553 H LEU A 73 44.582 14.579 20.451 1.00 0.00 H ATOM 554 N SER A 74 45.778 11.767 21.544 1.00 58.26 N ATOM 555 CA SER A 74 45.994 10.346 21.781 1.00 60.66 C ATOM 556 C SER A 74 47.428 9.913 21.514 1.00 62.59 C ATOM 557 O SER A 74 47.867 8.898 22.065 1.00 68.52 O ATOM 558 CB SER A 74 45.052 9.519 20.903 1.00 64.42 C ATOM 559 OG SER A 74 43.715 9.962 21.032 1.00 72.49 O ATOM 560 HG SER A 74 43.129 9.411 20.455 1.00 0.00 H ATOM 561 H SER A 74 45.299 12.069 20.671 1.00 0.00 H ATOM 562 N ARG A 75 48.162 10.654 20.692 1.00 64.56 N ATOM 563 CA ARG A 75 49.471 10.246 20.212 1.00 67.17 C ATOM 564 C ARG A 75 50.570 11.127 20.789 1.00 73.93 C ATOM 565 O ARG A 75 50.345 12.291 21.134 1.00 72.08 O ATOM 566 CB ARG A 75 49.523 10.310 18.684 1.00 63.77 C ATOM 567 CG ARG A 75 48.518 9.410 17.996 1.00 68.70 C ATOM 568 CD ARG A 75 48.618 9.541 16.489 1.00 78.38 C ATOM 569 NE ARG A 75 47.657 8.682 15.805 1.00 85.55 N ATOM 570 CZ ARG A 75 47.536 8.604 14.484 1.00 99.00 C ATOM 571 NH1 ARG A 75 48.319 9.335 13.702 1.00104.22 N ATOM 572 NH2 ARG A 75 46.633 7.797 13.945 1.00 99.89 N ATOM 573 HE ARG A 75 47.027 8.094 16.388 1.00 0.00 H ATOM 574 HH12 ARG A 75 48.224 9.274 12.668 1.00 0.00 H ATOM 575 HH11 ARG A 75 49.028 9.969 14.123 1.00 0.00 H ATOM 576 HH22 ARG A 75 46.540 7.738 12.911 1.00 0.00 H ATOM 577 HH21 ARG A 75 46.017 7.223 14.556 1.00 0.00 H ATOM 578 H ARG A 75 47.782 11.569 20.377 1.00 0.00 H ATOM 579 N ARG A 76 51.764 10.548 20.900 1.00 83.29 N ATOM 580 CA ARG A 76 52.963 11.343 21.120 1.00 88.05 C ATOM 581 C ARG A 76 53.156 12.307 19.954 1.00 87.25 C ATOM 582 O ARG A 76 52.988 11.938 18.788 1.00 87.88 O ATOM 583 CB ARG A 76 54.183 10.431 21.251 1.00 96.15 C ATOM 584 CG ARG A 76 54.332 9.477 20.073 1.00108.39 C ATOM 585 CD ARG A 76 55.352 8.379 20.303 1.00116.14 C ATOM 586 NE ARG A 76 55.409 7.485 19.149 1.00119.64 N ATOM 587 CZ ARG A 76 56.252 6.465 19.028 1.00128.85 C ATOM 588 NH1 ARG A 76 57.119 6.198 19.994 1.00133.22 N ATOM 589 NH2 ARG A 76 56.225 5.709 17.938 1.00131.10 N ATOM 590 HE ARG A 76 54.744 7.659 18.368 1.00 0.00 H ATOM 591 HH12 ARG A 76 57.777 5.399 19.896 1.00 0.00 H ATOM 592 HH11 ARG A 76 57.141 6.788 20.850 1.00 0.00 H ATOM 593 HH22 ARG A 76 56.884 4.910 17.843 1.00 0.00 H ATOM 594 HH21 ARG A 76 55.544 5.915 17.179 1.00 0.00 H ATOM 595 H ARG A 76 51.841 9.513 20.828 1.00 0.00 H ATOM 596 N GLU A 77 53.492 13.552 20.267 1.00 84.70 N ATOM 597 CA GLU A 77 53.681 14.579 19.244 1.00 73.20 C ATOM 598 C GLU A 77 54.951 15.366 19.526 1.00 64.55 C ATOM 599 O GLU A 77 55.002 16.119 20.520 1.00 61.52 O ATOM 600 CB GLU A 77 52.467 15.503 19.176 1.00 68.62 C ATOM 601 CG GLU A 77 51.210 14.825 18.647 1.00 66.85 C ATOM 602 CD GLU A 77 50.057 15.791 18.455 1.00 70.33 C ATOM 603 OE1 GLU A 77 49.498 15.833 17.338 1.00 72.58 O ATOM 604 OE2 GLU A 77 49.720 16.519 19.412 1.00 69.75 O ATOM 605 H GLU A 77 53.624 13.804 21.267 1.00 0.00 H ATOM 606 N PRO A 78 55.988 15.228 18.696 1.00 66.97 N ATOM 607 CA PRO A 78 57.213 16.017 18.910 1.00 70.25 C ATOM 608 C PRO A 78 57.004 17.512 18.753 1.00 66.68 C ATOM 609 O PRO A 78 57.808 18.294 19.277 1.00 65.35 O ATOM 610 CB PRO A 78 58.175 15.472 17.845 1.00 71.34 C ATOM 611 CG PRO A 78 57.614 14.131 17.462 1.00 69.52 C ATOM 612 CD PRO A 78 56.132 14.267 17.591 1.00 69.21 C ATOM 613 N THR A 79 55.955 17.935 18.049 1.00 64.96 N ATOM 614 CA THR A 79 55.663 19.353 17.877 1.00 64.82 C ATOM 615 C THR A 79 55.148 20.014 19.149 1.00 65.58 C ATOM 616 O THR A 79 54.935 21.231 19.146 1.00 65.81 O ATOM 617 CB THR A 79 54.642 19.543 16.752 1.00 65.02 C ATOM 618 OG1 THR A 79 53.366 19.043 17.170 1.00 66.38 O ATOM 619 CG2 THR A 79 55.085 18.796 15.503 1.00 69.84 C ATOM 620 HG1 THR A 79 53.066 19.537 17.974 1.00 0.00 H ATOM 621 H THR A 79 55.326 17.233 17.609 1.00 0.00 H ATOM 622 N ARG A 80 54.945 19.256 20.223 1.00 62.44 N ATOM 623 CA ARG A 80 54.356 19.801 21.437 1.00 56.07 C ATOM 624 C ARG A 80 55.400 20.505 22.294 1.00 60.10 C ATOM 625 O ARG A 80 56.538 20.045 22.421 1.00 63.25 O ATOM 626 CB ARG A 80 53.694 18.695 22.258 1.00 56.82 C ATOM 627 CG ARG A 80 52.415 18.144 21.666 1.00 59.74 C ATOM 628 CD ARG A 80 51.798 17.126 22.607 1.00 59.93 C ATOM 629 NE ARG A 80 50.728 16.366 21.973 1.00 62.56 N ATOM 630 CZ ARG A 80 50.060 15.384 22.568 1.00 67.98 C ATOM 631 NH1 ARG A 80 50.349 15.040 23.816 1.00 68.07 N ATOM 632 NH2 ARG A 80 49.104 14.744 21.913 1.00 69.91 N ATOM 633 HE ARG A 80 50.472 16.607 20.994 1.00 0.00 H ATOM 634 HH12 ARG A 80 49.824 14.271 24.278 1.00 0.00 H ATOM 635 HH11 ARG A 80 51.101 15.540 24.332 1.00 0.00 H ATOM 636 HH22 ARG A 80 48.580 13.975 22.378 1.00 0.00 H ATOM 637 HH21 ARG A 80 48.877 15.010 20.934 1.00 0.00 H ATOM 638 H ARG A 80 55.213 18.252 20.195 1.00 0.00 H ATOM 639 N GLN A 81 54.997 21.628 22.882 1.00 54.54 N ATOM 640 CA GLN A 81 55.753 22.302 23.928 1.00 56.25 C ATOM 641 C GLN A 81 54.861 22.410 25.155 1.00 53.87 C ATOM 642 O GLN A 81 53.720 22.875 25.055 1.00 52.67 O ATOM 643 CB GLN A 81 56.213 23.693 23.481 1.00 51.51 C ATOM 644 CG GLN A 81 56.944 23.717 22.152 1.00 46.09 C ATOM 645 CD GLN A 81 57.418 25.107 21.778 1.00 55.02 C ATOM 646 OE1 GLN A 81 57.778 25.906 22.643 1.00 59.17 O ATOM 647 NE2 GLN A 81 57.418 25.405 20.485 1.00 62.41 N ATOM 648 HE22 GLN A 81 57.105 24.699 19.789 1.00 0.00 H ATOM 649 HE21 GLN A 81 57.731 26.345 20.168 1.00 0.00 H ATOM 650 H GLN A 81 54.095 22.047 22.579 1.00 0.00 H ATOM 651 N VAL A 82 55.373 21.979 26.305 1.00 49.34 N ATOM 652 CA VAL A 82 54.594 21.899 27.535 1.00 50.71 C ATOM 653 C VAL A 82 55.189 22.858 28.556 1.00 51.66 C ATOM 654 O VAL A 82 56.410 22.882 28.755 1.00 53.76 O ATOM 655 CB VAL A 82 54.554 20.463 28.090 1.00 53.37 C ATOM 656 CG1 VAL A 82 53.538 20.360 29.216 1.00 55.69 C ATOM 657 CG2 VAL A 82 54.227 19.473 26.982 1.00 55.30 C ATOM 658 H VAL A 82 56.371 21.687 26.328 1.00 0.00 H ATOM 659 N PHE A 83 54.328 23.643 29.201 1.00 48.49 N ATOM 660 CA PHE A 83 54.735 24.603 30.216 1.00 44.80 C ATOM 661 C PHE A 83 53.874 24.435 31.462 1.00 43.89 C ATOM 662 O PHE A 83 52.842 23.758 31.452 1.00 49.39 O ATOM 663 CB PHE A 83 54.633 26.044 29.695 1.00 43.71 C ATOM 664 CG PHE A 83 55.587 26.351 28.578 1.00 52.24 C ATOM 665 CD1 PHE A 83 55.224 26.131 27.260 1.00 50.89 C ATOM 666 CD2 PHE A 83 56.846 26.862 28.846 1.00 58.98 C ATOM 667 CE1 PHE A 83 56.100 26.412 26.230 1.00 60.76 C ATOM 668 CE2 PHE A 83 57.726 27.147 27.819 1.00 59.60 C ATOM 669 CZ PHE A 83 57.353 26.921 26.509 1.00 59.13 C ATOM 670 H PHE A 83 53.317 23.566 28.968 1.00 0.00 H ATOM 671 N ALA A 84 54.317 25.061 32.548 1.00 43.70 N ATOM 672 CA ALA A 84 53.553 25.154 33.782 1.00 46.07 C ATOM 673 C ALA A 84 53.101 26.592 34.006 1.00 52.74 C ATOM 674 O ALA A 84 53.594 27.533 33.376 1.00 58.92 O ATOM 675 CB ALA A 84 54.377 24.658 34.976 1.00 40.48 C ATOM 676 H ALA A 84 55.256 25.506 32.513 1.00 0.00 H ATOM 677 N VAL A 85 52.148 26.754 34.917 1.00 45.67 N ATOM 678 CA VAL A 85 51.580 28.061 35.228 1.00 45.87 C ATOM 679 C VAL A 85 52.445 28.743 36.279 1.00 43.47 C ATOM 680 O VAL A 85 52.802 28.134 37.294 1.00 44.07 O ATOM 681 CB VAL A 85 50.126 27.928 35.712 1.00 43.54 C ATOM 682 CG1 VAL A 85 49.569 29.287 36.099 1.00 51.24 C ATOM 683 CG2 VAL A 85 49.267 27.283 34.635 1.00 36.25 C ATOM 684 H VAL A 85 51.794 25.919 35.427 1.00 0.00 H ATOM 685 N GLN A 86 52.780 30.010 36.038 1.00 43.11 N ATOM 686 CA GLN A 86 53.593 30.791 36.960 1.00 54.97 C ATOM 687 C GLN A 86 52.801 31.826 37.744 1.00 54.82 C ATOM 688 O GLN A 86 53.155 32.115 38.889 1.00 52.84 O ATOM 689 CB GLN A 86 54.724 31.500 36.201 1.00 63.14 C ATOM 690 CG GLN A 86 55.836 32.057 37.082 1.00 72.48 C ATOM 691 CD GLN A 86 56.684 30.972 37.722 1.00 83.29 C ATOM 692 OE1 GLN A 86 56.676 29.821 37.285 1.00 82.62 O ATOM 693 NE2 GLN A 86 57.424 31.339 38.763 1.00 84.73 N ATOM 694 HE22 GLN A 86 57.399 32.323 39.098 1.00 0.00 H ATOM 695 HE21 GLN A 86 58.028 30.642 39.243 1.00 0.00 H ATOM 696 H GLN A 86 52.449 30.457 35.160 1.00 0.00 H ATOM 697 N ARG A 87 51.740 32.386 37.165 1.00 48.86 N ATOM 698 CA ARG A 87 50.922 33.365 37.867 1.00 54.94 C ATOM 699 C ARG A 87 49.571 33.477 37.174 1.00 49.47 C ATOM 700 O ARG A 87 49.450 33.218 35.974 1.00 47.63 O ATOM 701 CB ARG A 87 51.607 34.736 37.936 1.00 58.61 C ATOM 702 CG ARG A 87 51.024 35.648 39.005 1.00 68.63 C ATOM 703 CD ARG A 87 52.001 36.726 39.436 1.00 75.98 C ATOM 704 NE ARG A 87 51.325 37.819 40.127 1.00 86.65 N ATOM 705 CZ ARG A 87 51.939 38.901 40.593 1.00104.91 C ATOM 706 NH1 ARG A 87 53.250 39.037 40.444 1.00109.51 N ATOM 707 NH2 ARG A 87 51.245 39.845 41.215 1.00108.61 N ATOM 708 HE ARG A 87 50.297 37.746 40.263 1.00 0.00 H ATOM 709 HH12 ARG A 87 53.730 39.884 40.809 1.00 0.00 H ATOM 710 HH11 ARG A 87 53.798 38.296 39.962 1.00 0.00 H ATOM 711 HH22 ARG A 87 51.728 40.691 41.579 1.00 0.00 H ATOM 712 HH21 ARG A 87 50.218 39.739 41.339 1.00 0.00 H ATOM 713 H ARG A 87 51.491 32.118 36.191 1.00 0.00 H ATOM 714 N ILE A 88 48.561 33.871 37.947 1.00 49.79 N ATOM 715 CA ILE A 88 47.179 33.946 37.489 1.00 42.06 C ATOM 716 C ILE A 88 46.715 35.394 37.556 1.00 45.72 C ATOM 717 O ILE A 88 46.992 36.099 38.532 1.00 58.71 O ATOM 718 CB ILE A 88 46.263 33.038 38.336 1.00 43.40 C ATOM 719 CG1 ILE A 88 46.661 31.572 38.166 1.00 48.40 C ATOM 720 CG2 ILE A 88 44.804 33.239 37.966 1.00 47.37 C ATOM 721 CD1 ILE A 88 45.803 30.623 38.970 1.00 50.32 C ATOM 722 H ILE A 88 48.769 34.140 38.930 1.00 0.00 H ATOM 723 N PHE A 89 46.004 35.835 36.518 1.00 46.35 N ATOM 724 CA PHE A 89 45.464 37.188 36.447 1.00 49.53 C ATOM 725 C PHE A 89 43.986 37.116 36.094 1.00 50.60 C ATOM 726 O PHE A 89 43.622 36.557 35.054 1.00 52.17 O ATOM 727 CB PHE A 89 46.217 38.037 35.419 1.00 44.20 C ATOM 728 CG PHE A 89 47.664 38.252 35.755 1.00 45.60 C ATOM 729 CD1 PHE A 89 48.051 39.323 36.543 1.00 58.67 C ATOM 730 CD2 PHE A 89 48.637 37.391 35.277 1.00 44.81 C ATOM 731 CE1 PHE A 89 49.382 39.527 36.855 1.00 49.56 C ATOM 732 CE2 PHE A 89 49.970 37.590 35.584 1.00 52.41 C ATOM 733 CZ PHE A 89 50.343 38.659 36.374 1.00 48.71 C ATOM 734 H PHE A 89 45.827 35.186 35.725 1.00 0.00 H ATOM 735 N GLU A 90 43.141 37.679 36.953 1.00 44.50 N ATOM 736 CA GLU A 90 41.707 37.748 36.727 1.00 43.07 C ATOM 737 C GLU A 90 41.267 39.206 36.685 1.00 44.98 C ATOM 738 O GLU A 90 42.051 40.124 36.934 1.00 62.93 O ATOM 739 CB GLU A 90 40.942 36.989 37.823 1.00 56.95 C ATOM 740 CG GLU A 90 41.112 35.481 37.766 1.00 60.01 C ATOM 741 CD GLU A 90 40.333 34.760 38.852 1.00 72.21 C ATOM 742 OE1 GLU A 90 39.756 35.439 39.728 1.00 76.92 O ATOM 743 OE2 GLU A 90 40.305 33.511 38.831 1.00 76.53 O ATOM 744 H GLU A 90 43.525 38.089 37.828 1.00 0.00 H ATOM 745 N ASN A 91 39.984 39.415 36.365 1.00 50.10 N ATOM 746 CA ASN A 91 39.439 40.758 36.187 1.00 53.53 C ATOM 747 C ASN A 91 37.961 40.756 36.592 1.00 58.32 C ATOM 748 O ASN A 91 37.048 40.833 35.770 1.00 63.86 O ATOM 749 CB ASN A 91 39.621 41.245 34.748 1.00 50.44 C ATOM 750 CG ASN A 91 39.175 42.681 34.559 1.00 57.47 C ATOM 751 OD1 ASN A 91 39.104 43.456 35.514 1.00 64.58 O ATOM 752 ND2 ASN A 91 38.866 43.044 33.319 1.00 57.16 N ATOM 753 HD22 ASN A 91 38.940 42.357 32.542 1.00 0.00 H ATOM 754 HD21 ASN A 91 38.550 44.016 33.125 1.00 0.00 H ATOM 755 H ASN A 91 39.356 38.596 36.239 1.00 0.00 H ATOM 756 N GLY A 92 37.712 40.674 37.895 1.00 52.27 N ATOM 757 CA GLY A 92 36.348 40.727 38.390 1.00 51.86 C ATOM 758 C GLY A 92 35.527 39.505 38.042 1.00 58.68 C ATOM 759 O GLY A 92 34.353 39.635 37.674 1.00 66.52 O ATOM 760 H GLY A 92 38.500 40.571 38.565 1.00 0.00 H ATOM 761 N TYR A 94 36.120 38.318 38.144 1.00 53.92 N ATOM 762 CA TYR A 94 35.422 37.088 37.795 1.00 48.12 C ATOM 763 C TYR A 94 34.309 36.813 38.797 1.00 55.29 C ATOM 764 O TYR A 94 34.560 36.686 39.999 1.00 67.55 O ATOM 765 CB TYR A 94 36.407 35.923 37.751 1.00 42.39 C ATOM 766 CG TYR A 94 35.754 34.559 37.707 1.00 47.27 C ATOM 767 CD1 TYR A 94 34.915 34.199 36.660 1.00 48.65 C ATOM 768 CD2 TYR A 94 35.992 33.624 38.706 1.00 52.82 C ATOM 769 CE1 TYR A 94 34.323 32.948 36.616 1.00 47.87 C ATOM 770 CE2 TYR A 94 35.407 32.373 38.671 1.00 47.33 C ATOM 771 CZ TYR A 94 34.574 32.039 37.625 1.00 49.63 C ATOM 772 OH TYR A 94 33.992 30.792 37.595 1.00 50.48 O ATOM 773 HH TYR A 94 33.428 30.712 36.785 1.00 0.00 H ATOM 774 H TYR A 94 37.103 38.267 38.480 1.00 0.00 H ATOM 775 N ASP A 95 33.074 36.725 38.298 1.00 55.53 N ATOM 776 CA ASP A 95 31.927 36.378 39.121 1.00 52.07 C ATOM 777 C ASP A 95 31.544 34.933 38.837 1.00 51.27 C ATOM 778 O ASP A 95 30.901 34.657 37.814 1.00 52.89 O ATOM 779 CB ASP A 95 30.749 37.315 38.836 1.00 57.60 C ATOM 780 CG ASP A 95 29.504 36.941 39.616 1.00 77.08 C ATOM 781 OD1 ASP A 95 29.481 37.168 40.843 1.00 86.84 O ATOM 782 OD2 ASP A 95 28.549 36.418 39.003 1.00 81.32 O ATOM 783 H ASP A 95 32.927 36.911 37.285 1.00 0.00 H ATOM 784 N PRO A 98 31.905 33.978 39.699 1.00 53.47 N ATOM 785 CA PRO A 98 31.617 32.567 39.396 1.00 48.65 C ATOM 786 C PRO A 98 30.140 32.218 39.442 1.00 56.69 C ATOM 787 O PRO A 98 29.753 31.181 38.889 1.00 58.75 O ATOM 788 CB PRO A 98 32.399 31.810 40.477 1.00 48.41 C ATOM 789 CG PRO A 98 32.483 32.775 41.613 1.00 47.29 C ATOM 790 CD PRO A 98 32.598 34.140 40.990 1.00 54.11 C ATOM 791 N VAL A 99 29.307 33.041 40.083 1.00 63.56 N ATOM 792 CA VAL A 99 27.893 32.706 40.222 1.00 58.17 C ATOM 793 C VAL A 99 27.169 32.871 38.891 1.00 57.47 C ATOM 794 O VAL A 99 26.409 31.994 38.466 1.00 56.78 O ATOM 795 CB VAL A 99 27.248 33.564 41.325 1.00 54.46 C ATOM 796 CG1 VAL A 99 25.805 33.145 41.547 1.00 53.79 C ATOM 797 CG2 VAL A 99 28.050 33.459 42.612 1.00 55.11 C ATOM 798 H VAL A 99 29.669 33.929 40.487 1.00 0.00 H ATOM 799 N ASN A 99A 27.396 33.994 38.212 1.00 54.72 N ATOM 800 CA ASN A 99A 26.759 34.267 36.931 1.00 56.51 C ATOM 801 C ASN A 99A 27.697 34.073 35.751 1.00 53.24 C ATOM 802 O ASN A 99A 27.296 34.336 34.612 1.00 54.37 O ATOM 803 CB ASN A 99A 26.196 35.692 36.904 1.00 60.94 C ATOM 804 CG ASN A 99A 25.283 35.979 38.075 1.00 67.56 C ATOM 805 OD1 ASN A 99A 24.157 35.485 38.135 1.00 67.35 O ATOM 806 ND2 ASN A 99A 25.763 36.785 39.014 1.00 68.93 N ATOM 807 HD22 ASN A 99A 26.721 37.179 38.921 1.00 0.00 H ATOM 808 HD21 ASN A 99A 25.181 37.022 39.843 1.00 0.00 H ATOM 809 H ASN A 99A 28.049 34.699 38.609 1.00 0.00 H ATOM 810 N LEU A 99B 28.930 33.623 35.997 1.00 50.44 N ATOM 811 CA LEU A 99B 29.946 33.465 34.956 1.00 48.23 C ATOM 812 C LEU A 99B 30.175 34.776 34.206 1.00 48.38 C ATOM 813 O LEU A 99B 30.331 34.799 32.983 1.00 52.98 O ATOM 814 CB LEU A 99B 29.581 32.332 33.992 1.00 51.51 C ATOM 815 CG LEU A 99B 30.325 31.010 34.202 1.00 51.73 C ATOM 816 CD1 LEU A 99B 30.308 30.597 35.665 1.00 45.45 C ATOM 817 CD2 LEU A 99B 29.733 29.913 33.334 1.00 48.10 C ATOM 818 H LEU A 99B 29.180 33.373 36.975 1.00 0.00 H ATOM 819 N LEU A 100 30.193 35.878 34.950 1.00 47.13 N ATOM 820 CA LEU A 100 30.525 37.183 34.400 1.00 51.19 C ATOM 821 C LEU A 100 32.035 37.377 34.406 1.00 49.95 C ATOM 822 O LEU A 100 32.716 37.010 35.369 1.00 42.68 O ATOM 823 CB LEU A 100 29.841 38.291 35.200 1.00 53.97 C ATOM 824 CG LEU A 100 28.342 38.433 34.932 1.00 56.11 C ATOM 825 CD1 LEU A 100 27.681 39.279 36.004 1.00 57.41 C ATOM 826 CD2 LEU A 100 28.104 39.029 33.553 1.00 52.63 C ATOM 827 H LEU A 100 29.961 35.804 35.961 1.00 0.00 H ATOM 828 N ASN A 101 32.550 37.962 33.324 1.00 49.38 N ATOM 829 CA ASN A 101 33.985 38.178 33.143 1.00 46.03 C ATOM 830 C ASN A 101 34.749 36.863 33.291 1.00 44.62 C ATOM 831 O ASN A 101 35.753 36.769 34.000 1.00 50.86 O ATOM 832 CB ASN A 101 34.513 39.234 34.117 1.00 56.64 C ATOM 833 CG ASN A 101 33.683 40.505 34.109 1.00 61.54 C ATOM 834 OD1 ASN A 101 33.115 40.887 33.085 1.00 62.42 O ATOM 835 ND2 ASN A 101 33.607 41.166 35.259 1.00 68.11 N ATOM 836 HD22 ASN A 101 34.103 40.806 36.099 1.00 0.00 H ATOM 837 HD21 ASN A 101 33.051 42.043 35.319 1.00 0.00 H ATOM 838 H ASN A 101 31.902 38.279 32.575 1.00 0.00 H ATOM 839 N ASP A 102 34.255 35.832 32.602 1.00 43.36 N ATOM 840 CA ASP A 102 34.832 34.490 32.679 1.00 37.69 C ATOM 841 C ASP A 102 36.087 34.428 31.807 1.00 50.75 C ATOM 842 O ASP A 102 36.153 33.750 30.780 1.00 53.64 O ATOM 843 CB ASP A 102 33.806 33.445 32.263 1.00 39.46 C ATOM 844 CG ASP A 102 34.318 32.027 32.426 1.00 50.71 C ATOM 845 OD1 ASP A 102 35.303 31.832 33.169 1.00 49.56 O ATOM 846 OD2 ASP A 102 33.735 31.110 31.809 1.00 49.37 O ATOM 847 H ASP A 102 33.430 35.988 31.988 1.00 0.00 H ATOM 848 N ILE A 103 37.103 35.170 32.241 1.00 43.71 N ATOM 849 CA ILE A 103 38.371 35.249 31.530 1.00 46.05 C ATOM 850 C ILE A 103 39.499 35.195 32.550 1.00 51.67 C ATOM 851 O ILE A 103 39.373 35.694 33.673 1.00 56.11 O ATOM 852 CB ILE A 103 38.465 36.524 30.657 1.00 48.22 C ATOM 853 CG1 ILE A 103 39.751 36.527 29.824 1.00 45.73 C ATOM 854 CG2 ILE A 103 38.373 37.774 31.517 1.00 51.52 C ATOM 855 CD1 ILE A 103 39.866 37.703 28.871 1.00 42.09 C ATOM 856 H ILE A 103 36.987 35.713 33.120 1.00 0.00 H ATOM 857 N VAL A 104 40.601 34.567 32.154 1.00 52.11 N ATOM 858 CA VAL A 104 41.777 34.447 33.007 1.00 46.59 C ATOM 859 C VAL A 104 43.008 34.430 32.113 1.00 47.03 C ATOM 860 O VAL A 104 42.984 33.876 31.011 1.00 45.11 O ATOM 861 CB VAL A 104 41.701 33.189 33.901 1.00 44.83 C ATOM 862 CG1 VAL A 104 41.679 31.919 33.056 1.00 37.95 C ATOM 863 CG2 VAL A 104 42.853 33.164 34.893 1.00 43.93 C ATOM 864 H VAL A 104 40.625 34.147 31.203 1.00 0.00 H ATOM 865 N ILE A 105 44.079 35.060 32.586 1.00 47.51 N ATOM 866 CA ILE A 105 45.360 35.083 31.895 1.00 46.39 C ATOM 867 C ILE A 105 46.361 34.308 32.737 1.00 51.86 C ATOM 868 O ILE A 105 46.470 34.536 33.948 1.00 52.43 O ATOM 869 CB ILE A 105 45.845 36.521 31.647 1.00 48.45 C ATOM 870 CG1 ILE A 105 44.860 37.266 30.745 1.00 52.46 C ATOM 871 CG2 ILE A 105 47.235 36.519 31.031 1.00 47.12 C ATOM 872 CD1 ILE A 105 45.313 38.656 30.368 1.00 60.06 C ATOM 873 H ILE A 105 43.998 35.561 33.494 1.00 0.00 H ATOM 874 N LEU A 106 47.087 33.397 32.100 1.00 55.43 N ATOM 875 CA LEU A 106 48.049 32.542 32.780 1.00 37.92 C ATOM 876 C LEU A 106 49.443 32.876 32.276 1.00 48.91 C ATOM 877 O LEU A 106 49.732 32.709 31.086 1.00 57.39 O ATOM 878 CB LEU A 106 47.738 31.065 32.540 1.00 40.55 C ATOM 879 CG LEU A 106 46.302 30.600 32.773 1.00 42.34 C ATOM 880 CD1 LEU A 106 46.169 29.126 32.433 1.00 38.46 C ATOM 881 CD2 LEU A 106 45.893 30.861 34.212 1.00 47.14 C ATOM 882 H LEU A 106 46.963 33.290 31.073 1.00 0.00 H ATOM 883 N GLN A 107 50.302 33.346 33.176 1.00 45.40 N ATOM 884 CA GLN A 107 51.704 33.541 32.844 1.00 41.86 C ATOM 885 C GLN A 107 52.430 32.208 32.948 1.00 55.25 C ATOM 886 O GLN A 107 52.300 31.497 33.949 1.00 58.58 O ATOM 887 CB GLN A 107 52.346 34.572 33.772 1.00 43.91 C ATOM 888 CG GLN A 107 53.791 34.896 33.424 1.00 45.69 C ATOM 889 CD GLN A 107 54.423 35.875 34.394 1.00 55.32 C ATOM 890 OE1 GLN A 107 53.799 36.856 34.797 1.00 62.34 O ATOM 891 NE2 GLN A 107 55.669 35.611 34.775 1.00 54.09 N ATOM 892 HE22 GLN A 107 56.158 34.769 34.408 1.00 0.00 H ATOM 893 HE21 GLN A 107 56.155 36.246 35.440 1.00 0.00 H ATOM 894 H GLN A 107 49.966 33.578 34.132 1.00 0.00 H ATOM 895 N LEU A 108 53.188 31.870 31.915 1.00 53.24 N ATOM 896 CA LEU A 108 53.890 30.599 31.870 1.00 55.32 C ATOM 897 C LEU A 108 55.242 30.703 32.566 1.00 63.89 C ATOM 898 O LEU A 108 55.793 31.791 32.752 1.00 68.96 O ATOM 899 CB LEU A 108 54.077 30.145 30.423 1.00 49.08 C ATOM 900 CG LEU A 108 52.815 30.172 29.560 1.00 42.88 C ATOM 901 CD1 LEU A 108 53.124 29.681 28.156 1.00 42.99 C ATOM 902 CD2 LEU A 108 51.701 29.348 30.194 1.00 42.62 C ATOM 903 H LEU A 108 53.283 32.531 31.117 1.00 0.00 H ATOM 904 N ASN A 109 55.775 29.544 32.956 1.00 59.65 N ATOM 905 CA ASN A 109 57.090 29.470 33.580 1.00 46.30 C ATOM 906 C ASN A 109 58.223 29.593 32.567 1.00 46.52 C ATOM 907 O ASN A 109 59.363 29.220 32.869 1.00 56.26 O ATOM 908 CB ASN A 109 57.227 28.166 34.371 1.00 53.89 C ATOM 909 CG ASN A 109 57.307 26.943 33.477 1.00 59.95 C ATOM 910 OD1 ASN A 109 56.656 26.878 32.434 1.00 62.10 O ATOM 911 ND2 ASN A 109 58.114 25.965 33.883 1.00 59.00 N ATOM 912 HD22 ASN A 109 58.645 26.064 34.772 1.00 0.00 H ATOM 913 HD21 ASN A 109 58.214 25.102 33.311 1.00 0.00 H ATOM 914 H ASN A 109 55.236 28.667 32.810 1.00 0.00 H ATOM 915 N GLY A 110 57.925 30.112 31.382 1.00 46.18 N ATOM 916 CA GLY A 110 58.918 30.263 30.336 1.00 50.19 C ATOM 917 C GLY A 110 58.271 30.836 29.094 1.00 52.14 C ATOM 918 O GLY A 110 57.057 31.062 29.043 1.00 50.83 O ATOM 919 H GLY A 110 56.949 30.420 31.198 1.00 0.00 H ATOM 920 N SER A 111 59.105 31.073 28.087 1.00 52.29 N ATOM 921 CA SER A 111 58.653 31.598 26.807 1.00 55.95 C ATOM 922 C SER A 111 58.588 30.477 25.779 1.00 57.34 C ATOM 923 O SER A 111 59.494 29.641 25.695 1.00 62.82 O ATOM 924 CB SER A 111 59.575 32.714 26.312 1.00 61.92 C ATOM 925 OG SER A 111 59.556 33.818 27.201 1.00 68.29 O ATOM 926 HG SER A 111 60.159 34.525 26.860 1.00 0.00 H ATOM 927 H SER A 111 60.118 30.876 28.218 1.00 0.00 H ATOM 928 N ALA A 112 57.508 30.462 25.003 1.00 56.12 N ATOM 929 CA ALA A 112 57.347 29.470 23.952 1.00 50.78 C ATOM 930 C ALA A 112 58.268 29.773 22.776 1.00 53.89 C ATOM 931 O ALA A 112 58.631 30.924 22.520 1.00 56.65 O ATOM 932 CB ALA A 112 55.894 29.426 23.482 1.00 48.99 C ATOM 933 H ALA A 112 56.764 31.174 25.151 1.00 0.00 H ATOM 934 N THR A 113 58.654 28.718 22.062 1.00 54.93 N ATOM 935 CA THR A 113 59.446 28.845 20.845 1.00 57.95 C ATOM 936 C THR A 113 58.507 28.996 19.654 1.00 59.02 C ATOM 937 O THR A 113 57.731 28.084 19.349 1.00 61.27 O ATOM 938 CB THR A 113 60.357 27.632 20.658 1.00 60.71 C ATOM 939 OG1 THR A 113 61.086 27.386 21.867 1.00 68.12 O ATOM 940 CG2 THR A 113 61.337 27.871 19.518 1.00 56.83 C ATOM 941 HG1 THR A 113 61.675 26.600 21.742 1.00 0.00 H ATOM 942 H THR A 113 58.380 27.768 22.384 1.00 0.00 H ATOM 943 N ILE A 114 58.573 30.145 18.990 1.00 61.47 N ATOM 944 CA ILE A 114 57.702 30.420 17.852 1.00 63.97 C ATOM 945 C ILE A 114 58.212 29.651 16.639 1.00 65.67 C ATOM 946 O ILE A 114 59.358 29.827 16.214 1.00 59.39 O ATOM 947 CB ILE A 114 57.631 31.926 17.564 1.00 58.66 C ATOM 948 CG1 ILE A 114 57.240 32.692 18.832 1.00 57.36 C ATOM 949 CG2 ILE A 114 56.642 32.209 16.445 1.00 56.78 C ATOM 950 CD1 ILE A 114 55.935 32.233 19.449 1.00 51.61 C ATOM 951 H ILE A 114 59.261 30.865 19.288 1.00 0.00 H ATOM 952 N ASN A 115 57.363 28.794 16.084 1.00 61.11 N ATOM 953 CA ASN A 115 57.694 28.044 14.877 1.00 66.68 C ATOM 954 C ASN A 115 56.431 27.956 14.028 1.00 75.44 C ATOM 955 O ASN A 115 55.477 28.720 14.210 1.00 80.54 O ATOM 956 CB ASN A 115 58.299 26.676 15.231 1.00 61.13 C ATOM 957 CG ASN A 115 57.407 25.856 16.140 1.00 62.27 C ATOM 958 OD1 ASN A 115 56.181 25.904 16.043 1.00 68.35 O ATOM 959 ND2 ASN A 115 58.023 25.090 17.032 1.00 62.31 N ATOM 960 HD22 ASN A 115 59.062 25.080 17.080 1.00 0.00 H ATOM 961 HD21 ASN A 115 57.467 24.500 17.683 1.00 0.00 H ATOM 962 H ASN A 115 56.431 28.653 16.524 1.00 0.00 H ATOM 963 N ALA A 116 56.416 27.018 13.079 1.00 75.60 N ATOM 964 CA ALA A 116 55.249 26.864 12.217 1.00 71.39 C ATOM 965 C ALA A 116 54.043 26.328 12.979 1.00 61.12 C ATOM 966 O ALA A 116 52.901 26.559 12.568 1.00 61.65 O ATOM 967 CB ALA A 116 55.583 25.950 11.038 1.00 69.44 C ATOM 968 H ALA A 116 57.239 26.395 12.953 1.00 0.00 H ATOM 969 N ASN A 117 54.270 25.613 14.082 1.00 56.16 N ATOM 970 CA ASN A 117 53.198 24.970 14.830 1.00 57.96 C ATOM 971 C ASN A 117 52.766 25.738 16.074 1.00 58.32 C ATOM 972 O ASN A 117 51.720 25.413 16.647 1.00 58.49 O ATOM 973 CB ASN A 117 53.618 23.551 15.236 1.00 60.71 C ATOM 974 CG ASN A 117 53.992 22.692 14.045 1.00 72.33 C ATOM 975 OD1 ASN A 117 53.340 22.740 13.002 1.00 75.06 O ATOM 976 ND2 ASN A 117 55.047 21.901 14.195 1.00 79.17 N ATOM 977 HD22 ASN A 117 55.568 21.894 15.095 1.00 0.00 H ATOM 978 HD21 ASN A 117 55.353 21.288 13.412 1.00 0.00 H ATOM 979 H ASN A 117 55.248 25.511 14.420 1.00 0.00 H ATOM 980 N VAL A 118 53.534 26.735 16.511 1.00 59.03 N ATOM 981 CA VAL A 118 53.246 27.487 17.731 1.00 49.02 C ATOM 982 C VAL A 118 53.401 28.969 17.416 1.00 50.24 C ATOM 983 O VAL A 118 54.513 29.435 17.138 1.00 57.48 O ATOM 984 CB VAL A 118 54.165 27.081 18.893 1.00 49.70 C ATOM 985 CG1 VAL A 118 53.950 28.002 20.084 1.00 54.18 C ATOM 986 CG2 VAL A 118 53.926 25.631 19.289 1.00 45.84 C ATOM 987 H VAL A 118 54.377 26.990 15.959 1.00 0.00 H ATOM 988 N GLN A 119 52.295 29.710 17.459 1.00 52.07 N ATOM 989 CA GLN A 119 52.306 31.127 17.124 1.00 63.03 C ATOM 990 C GLN A 119 51.338 31.887 18.021 1.00 59.60 C ATOM 991 O GLN A 119 50.409 31.320 18.599 1.00 54.87 O ATOM 992 CB GLN A 119 51.956 31.365 15.648 1.00 63.44 C ATOM 993 CG GLN A 119 53.132 31.170 14.707 1.00 65.33 C ATOM 994 CD GLN A 119 52.731 31.216 13.249 1.00 70.52 C ATOM 995 OE1 GLN A 119 51.638 31.667 12.907 1.00 75.84 O ATOM 996 NE2 GLN A 119 53.622 30.757 12.377 1.00 73.11 N ATOM 997 HE22 GLN A 119 54.534 30.385 12.712 1.00 0.00 H ATOM 998 HE21 GLN A 119 53.408 30.770 11.359 1.00 0.00 H ATOM 999 H GLN A 119 51.398 29.264 17.740 1.00 0.00 H ATOM 1000 N VAL A 120 51.576 33.191 18.120 1.00 63.89 N ATOM 1001 CA VAL A 120 50.782 34.075 18.965 1.00 48.19 C ATOM 1002 C VAL A 120 49.514 34.482 18.228 1.00 66.70 C ATOM 1003 O VAL A 120 49.541 34.776 17.026 1.00 65.45 O ATOM 1004 CB VAL A 120 51.617 35.303 19.370 1.00 49.76 C ATOM 1005 CG1 VAL A 120 50.757 36.337 20.075 1.00 55.65 C ATOM 1006 CG2 VAL A 120 52.783 34.878 20.244 1.00 50.29 C ATOM 1007 H VAL A 120 52.361 33.598 17.572 1.00 0.00 H ATOM 1008 N ALA A 121 48.395 34.504 18.947 1.00 46.70 N ATOM 1009 CA ALA A 121 47.124 34.900 18.363 1.00 59.66 C ATOM 1010 C ALA A 121 47.020 36.420 18.259 1.00 61.89 C ATOM 1011 O ALA A 121 47.754 37.169 18.909 1.00 65.39 O ATOM 1012 CB ALA A 121 45.960 34.357 19.191 1.00 44.72 C ATOM 1013 H ALA A 121 48.430 34.232 19.950 1.00 0.00 H ATOM 1014 N GLN A 122 46.084 36.869 17.427 1.00 61.44 N ATOM 1015 CA GLN A 122 45.831 38.286 17.205 1.00 62.55 C ATOM 1016 C GLN A 122 44.526 38.678 17.884 1.00 60.65 C ATOM 1017 O GLN A 122 43.503 38.009 17.703 1.00 64.82 O ATOM 1018 CB GLN A 122 45.751 38.598 15.709 1.00 74.40 C ATOM 1019 CG GLN A 122 47.010 38.267 14.930 1.00 87.26 C ATOM 1020 CD GLN A 122 46.848 38.500 13.440 1.00 99.71 C ATOM 1021 OE1 GLN A 122 45.731 38.545 12.925 1.00101.63 O ATOM 1022 NE2 GLN A 122 47.967 38.642 12.739 1.00108.38 N ATOM 1023 HE22 GLN A 122 48.889 38.597 13.217 1.00 0.00 H ATOM 1024 HE21 GLN A 122 47.921 38.798 11.712 1.00 0.00 H ATOM 1025 H GLN A 122 45.506 36.176 16.911 1.00 0.00 H ATOM 1026 N LEU A 123 44.560 39.764 18.657 1.00 58.60 N ATOM 1027 CA LEU A 123 43.367 40.200 19.363 1.00 52.18 C ATOM 1028 C LEU A 123 42.782 41.450 18.713 1.00 55.49 C ATOM 1029 O LEU A 123 43.520 42.281 18.176 1.00 71.33 O ATOM 1030 CB LEU A 123 43.657 40.492 20.840 1.00 55.23 C ATOM 1031 CG LEU A 123 44.202 39.331 21.671 1.00 49.15 C ATOM 1032 CD1 LEU A 123 44.261 39.710 23.142 1.00 54.50 C ATOM 1033 CD2 LEU A 123 43.351 38.089 21.470 1.00 45.37 C ATOM 1034 H LEU A 123 45.445 40.302 18.755 1.00 0.00 H ATOM 1035 N PRO A 124 41.458 41.616 18.749 1.00 65.73 N ATOM 1036 CA PRO A 124 40.849 42.815 18.158 1.00 67.89 C ATOM 1037 C PRO A 124 41.069 44.058 19.005 1.00 63.96 C ATOM 1038 O PRO A 124 41.730 44.002 20.047 1.00 58.76 O ATOM 1039 CB PRO A 124 39.364 42.445 18.075 1.00 70.37 C ATOM 1040 CG PRO A 124 39.169 41.476 19.191 1.00 64.43 C ATOM 1041 CD PRO A 124 40.447 40.687 19.283 1.00 65.04 C ATOM 1042 N ALA A 125 40.518 45.185 18.565 1.00 72.24 N ATOM 1043 CA ALA A 125 40.652 46.432 19.302 1.00 63.56 C ATOM 1044 C ALA A 125 39.643 46.496 20.444 1.00 74.68 C ATOM 1045 O ALA A 125 38.586 45.859 20.407 1.00 69.94 O ATOM 1046 CB ALA A 125 40.465 47.629 18.370 1.00 66.83 C ATOM 1047 H ALA A 125 39.980 45.175 17.675 1.00 0.00 H ATOM 1048 N GLN A 126 39.991 47.271 21.471 1.00 66.93 N ATOM 1049 CA GLN A 126 39.120 47.445 22.627 1.00 60.56 C ATOM 1050 C GLN A 126 37.780 48.044 22.209 1.00 63.71 C ATOM 1051 O GLN A 126 37.730 49.077 21.535 1.00 65.05 O ATOM 1052 CB GLN A 126 39.803 48.344 23.659 1.00 70.84 C ATOM 1053 CG GLN A 126 38.900 48.835 24.781 1.00 59.66 C ATOM 1054 CD GLN A 126 38.593 47.756 25.799 1.00 68.87 C ATOM 1055 OE1 GLN A 126 39.396 46.849 26.019 1.00 70.39 O ATOM 1056 NE2 GLN A 126 37.430 47.852 26.432 1.00 56.44 N ATOM 1057 HE22 GLN A 126 36.782 48.636 26.214 1.00 0.00 H ATOM 1058 HE21 GLN A 126 37.167 47.143 27.146 1.00 0.00 H ATOM 1059 H GLN A 126 40.907 47.764 21.447 1.00 0.00 H ATOM 1060 N GLY A 127 36.690 47.388 22.614 1.00 65.05 N ATOM 1061 CA GLY A 127 35.354 47.867 22.333 1.00 62.90 C ATOM 1062 C GLY A 127 34.729 47.335 21.061 1.00 68.56 C ATOM 1063 O GLY A 127 33.540 47.589 20.823 1.00 68.85 O ATOM 1064 H GLY A 127 36.805 46.504 23.149 1.00 0.00 H ATOM 1065 N ARG A 128 35.488 46.616 20.237 1.00 69.59 N ATOM 1066 CA ARG A 128 34.983 46.117 18.963 1.00 71.79 C ATOM 1067 C ARG A 128 33.800 45.177 19.167 1.00 73.46 C ATOM 1068 O ARG A 128 33.929 44.128 19.805 1.00 66.92 O ATOM 1069 CB ARG A 128 36.109 45.402 18.215 1.00 79.34 C ATOM 1070 CG ARG A 128 35.733 44.871 16.841 1.00 84.10 C ATOM 1071 CD ARG A 128 35.557 45.988 15.826 1.00 93.50 C ATOM 1072 NE ARG A 128 35.562 45.474 14.459 1.00 99.90 N ATOM 1073 CZ ARG A 128 34.498 44.970 13.842 1.00 99.86 C ATOM 1074 NH1 ARG A 128 33.331 44.908 14.470 1.00 95.28 N ATOM 1075 NH2 ARG A 128 34.600 44.525 12.597 1.00103.64 N ATOM 1076 HE ARG A 128 36.459 45.504 13.933 1.00 0.00 H ATOM 1077 HH12 ARG A 128 32.500 44.513 13.985 1.00 0.00 H ATOM 1078 HH11 ARG A 128 33.247 45.254 15.447 1.00 0.00 H ATOM 1079 HH22 ARG A 128 33.767 44.131 12.116 1.00 0.00 H ATOM 1080 HH21 ARG A 128 35.513 44.570 12.102 1.00 0.00 H ATOM 1081 H ARG A 128 36.469 46.404 20.509 1.00 0.00 H ATOM 1082 N ARG A 129 32.648 45.556 18.624 1.00 86.66 N ATOM 1083 CA ARG A 129 31.445 44.737 18.675 1.00 90.81 C ATOM 1084 C ARG A 129 31.265 43.983 17.365 1.00 91.70 C ATOM 1085 O ARG A 129 31.505 44.528 16.283 1.00 97.15 O ATOM 1086 CB ARG A 129 30.206 45.592 18.951 1.00102.58 C ATOM 1087 CG ARG A 129 30.025 46.002 20.401 1.00102.60 C ATOM 1088 CD ARG A 129 29.439 44.852 21.205 1.00101.86 C ATOM 1089 NE ARG A 129 29.025 45.264 22.542 1.00106.05 N ATOM 1090 CZ ARG A 129 28.509 44.440 23.448 1.00101.78 C ATOM 1091 NH1 ARG A 129 28.337 43.157 23.157 1.00102.65 N ATOM 1092 NH2 ARG A 129 28.158 44.899 24.642 1.00 94.16 N ATOM 1093 HE ARG A 129 29.141 46.264 22.802 1.00 0.00 H ATOM 1094 HH12 ARG A 129 27.933 42.513 23.866 1.00 0.00 H ATOM 1095 HH11 ARG A 129 28.606 42.796 22.220 1.00 0.00 H ATOM 1096 HH22 ARG A 129 27.754 44.252 25.350 1.00 0.00 H ATOM 1097 HH21 ARG A 129 28.286 45.905 24.871 1.00 0.00 H ATOM 1098 H ARG A 129 32.604 46.477 18.142 1.00 0.00 H ATOM 1099 N LEU A 130 30.843 42.727 17.470 1.00 84.53 N ATOM 1100 CA LEU A 130 30.541 41.900 16.310 1.00 78.05 C ATOM 1101 C LEU A 130 29.043 41.955 16.043 1.00 78.78 C ATOM 1102 O LEU A 130 28.239 41.620 16.921 1.00 79.18 O ATOM 1103 CB LEU A 130 31.001 40.459 16.522 1.00 68.60 C ATOM 1104 CG LEU A 130 32.502 40.227 16.361 1.00 66.74 C ATOM 1105 CD1 LEU A 130 32.812 38.745 16.422 1.00 67.87 C ATOM 1106 CD2 LEU A 130 32.997 40.829 15.054 1.00 63.61 C ATOM 1107 H LEU A 130 30.724 42.318 18.419 1.00 0.00 H ATOM 1108 N GLY A 131 28.674 42.373 14.837 1.00 74.34 N ATOM 1109 CA GLY A 131 27.277 42.493 14.484 1.00 72.89 C ATOM 1110 C GLY A 131 26.590 41.147 14.357 1.00 73.18 C ATOM 1111 O GLY A 131 27.212 40.085 14.294 1.00 81.68 O ATOM 1112 H GLY A 131 29.402 42.618 14.136 1.00 0.00 H ATOM 1113 N ASN A 132 25.262 41.204 14.330 1.00 69.30 N ATOM 1114 CA ASN A 132 24.455 40.004 14.155 1.00 72.73 C ATOM 1115 C ASN A 132 24.701 39.397 12.778 1.00 75.28 C ATOM 1116 O ASN A 132 24.538 40.068 11.754 1.00 85.31 O ATOM 1117 CB ASN A 132 22.977 40.346 14.336 1.00 86.38 C ATOM 1118 CG ASN A 132 22.113 39.120 14.553 1.00 86.96 C ATOM 1119 OD1 ASN A 132 22.450 38.242 15.345 1.00 79.69 O ATOM 1120 ND2 ASN A 132 20.989 39.056 13.848 1.00 87.75 N ATOM 1121 HD22 ASN A 132 20.744 39.823 13.189 1.00 0.00 H ATOM 1122 HD21 ASN A 132 20.354 38.239 13.955 1.00 0.00 H ATOM 1123 H ASN A 132 24.790 42.124 14.436 1.00 0.00 H ATOM 1124 N GLY A 133 25.097 38.126 12.754 1.00 70.21 N ATOM 1125 CA GLY A 133 25.283 37.401 11.515 1.00 67.81 C ATOM 1126 C GLY A 133 26.717 37.236 11.060 1.00 66.95 C ATOM 1127 O GLY A 133 26.944 36.637 10.002 1.00 67.45 O ATOM 1128 H GLY A 133 25.279 37.638 13.654 1.00 0.00 H ATOM 1129 N VAL A 134 27.690 37.743 11.817 1.00 70.66 N ATOM 1130 CA VAL A 134 29.088 37.601 11.433 1.00 65.73 C ATOM 1131 C VAL A 134 29.505 36.140 11.545 1.00 67.24 C ATOM 1132 O VAL A 134 29.194 35.457 12.531 1.00 60.99 O ATOM 1133 CB VAL A 134 29.976 38.506 12.303 1.00 67.53 C ATOM 1134 CG1 VAL A 134 31.444 38.273 11.990 1.00 67.56 C ATOM 1135 CG2 VAL A 134 29.609 39.965 12.090 1.00 68.11 C ATOM 1136 H VAL A 134 27.448 38.247 12.694 1.00 0.00 H ATOM 1137 N GLN A 135 30.218 35.654 10.533 1.00 65.47 N ATOM 1138 CA GLN A 135 30.653 34.264 10.488 1.00 63.35 C ATOM 1139 C GLN A 135 31.958 34.103 11.257 1.00 62.62 C ATOM 1140 O GLN A 135 32.920 34.843 11.025 1.00 61.25 O ATOM 1141 CB GLN A 135 30.832 33.797 9.043 1.00 62.95 C ATOM 1142 CG GLN A 135 29.606 33.988 8.162 1.00 71.97 C ATOM 1143 CD GLN A 135 28.530 32.946 8.412 1.00 79.15 C ATOM 1144 OE1 GLN A 135 28.650 32.111 9.309 1.00 77.77 O ATOM 1145 NE2 GLN A 135 27.469 32.990 7.615 1.00 89.42 N ATOM 1146 HE22 GLN A 135 27.408 33.713 6.869 1.00 0.00 H ATOM 1147 HE21 GLN A 135 26.699 32.302 7.736 1.00 0.00 H ATOM 1148 H GLN A 135 30.473 36.287 9.748 1.00 0.00 H ATOM 1149 N CYS A 136 31.985 33.133 12.166 1.00 64.40 N ATOM 1150 CA CYS A 136 33.138 32.864 13.012 1.00 55.30 C ATOM 1151 C CYS A 136 33.449 31.375 12.964 1.00 53.36 C ATOM 1152 O CYS A 136 32.761 30.593 12.301 1.00 53.46 O ATOM 1153 CB CYS A 136 32.887 33.309 14.457 1.00 54.00 C ATOM 1154 SG CYS A 136 32.676 35.079 14.694 1.00 82.04 S ATOM 1155 H CYS A 136 31.140 32.537 12.278 1.00 0.00 H ATOM 1156 N LEU A 137 34.498 30.982 13.682 1.00 51.65 N ATOM 1157 CA LEU A 137 34.916 29.588 13.744 1.00 49.78 C ATOM 1158 C LEU A 137 35.249 29.240 15.185 1.00 55.28 C ATOM 1159 O LEU A 137 36.150 29.841 15.776 1.00 62.37 O ATOM 1160 CB LEU A 137 36.124 29.330 12.842 1.00 50.46 C ATOM 1161 CG LEU A 137 36.489 27.859 12.647 1.00 49.66 C ATOM 1162 CD1 LEU A 137 35.471 27.165 11.761 1.00 51.68 C ATOM 1163 CD2 LEU A 137 37.876 27.740 12.064 1.00 51.24 C ATOM 1164 H LEU A 137 35.037 31.693 14.216 1.00 0.00 H ATOM 1165 N ALA A 138 34.525 28.279 15.746 1.00 55.59 N ATOM 1166 CA ALA A 138 34.826 27.742 17.063 1.00 47.04 C ATOM 1167 C ALA A 138 35.641 26.463 16.921 1.00 54.05 C ATOM 1168 O ALA A 138 35.625 25.802 15.880 1.00 60.92 O ATOM 1169 CB ALA A 138 33.540 27.467 17.848 1.00 42.54 C ATOM 1170 H ALA A 138 33.712 27.896 15.223 1.00 0.00 H ATOM 1171 N MET A 139 36.360 26.118 17.985 1.00 54.60 N ATOM 1172 CA MET A 139 37.252 24.966 17.959 1.00 48.61 C ATOM 1173 C MET A 139 37.447 24.470 19.385 1.00 46.68 C ATOM 1174 O MET A 139 37.076 25.140 20.350 1.00 52.72 O ATOM 1175 CB MET A 139 38.591 25.320 17.303 1.00 40.17 C ATOM 1176 CG MET A 139 39.335 26.451 17.995 1.00 40.44 C ATOM 1177 SD MET A 139 40.725 27.077 17.032 1.00 51.29 S ATOM 1178 CE MET A 139 39.872 27.744 15.605 1.00 54.73 C ATOM 1179 H MET A 139 36.284 26.683 18.855 1.00 0.00 H ATOM 1180 N GLY A 140 38.015 23.278 19.506 1.00 42.63 N ATOM 1181 CA GLY A 140 38.329 22.734 20.813 1.00 46.10 C ATOM 1182 C GLY A 140 38.458 21.229 20.780 1.00 49.00 C ATOM 1183 O GLY A 140 38.097 20.563 19.808 1.00 50.24 O ATOM 1184 H GLY A 140 38.238 22.726 18.653 1.00 0.00 H ATOM 1185 N TRP A 141 38.989 20.696 21.884 1.00 52.03 N ATOM 1186 CA TRP A 141 39.143 19.260 22.092 1.00 48.76 C ATOM 1187 C TRP A 141 38.093 18.699 23.046 1.00 54.70 C ATOM 1188 O TRP A 141 38.362 17.726 23.759 1.00 46.56 O ATOM 1189 CB TRP A 141 40.542 18.937 22.619 1.00 46.53 C ATOM 1190 CG TRP A 141 41.624 18.899 21.575 1.00 50.29 C ATOM 1191 CD1 TRP A 141 41.806 17.942 20.620 1.00 52.04 C ATOM 1192 CD2 TRP A 141 42.696 19.838 21.411 1.00 48.85 C ATOM 1193 NE1 TRP A 141 42.912 18.236 19.859 1.00 51.71 N ATOM 1194 CE2 TRP A 141 43.476 19.395 20.324 1.00 52.74 C ATOM 1195 CE3 TRP A 141 43.065 21.014 22.070 1.00 52.00 C ATOM 1196 CZ2 TRP A 141 44.603 20.086 19.883 1.00 57.59 C ATOM 1197 CZ3 TRP A 141 44.184 21.698 21.631 1.00 54.80 C ATOM 1198 CH2 TRP A 141 44.939 21.233 20.547 1.00 57.93 C ATOM 1199 HE1 TRP A 141 43.264 17.671 19.060 1.00 0.00 H ATOM 1200 H TRP A 141 39.310 21.339 22.636 1.00 0.00 H ATOM 1201 N GLY A 142 36.904 19.292 23.077 1.00 56.49 N ATOM 1202 CA GLY A 142 35.889 18.916 24.036 1.00 54.25 C ATOM 1203 C GLY A 142 35.118 17.674 23.627 1.00 52.25 C ATOM 1204 O GLY A 142 35.496 16.925 22.725 1.00 49.74 O ATOM 1205 H GLY A 142 36.698 20.047 22.393 1.00 0.00 H ATOM 1206 N LEU A 143 34.005 17.461 24.325 1.00 56.04 N ATOM 1207 CA LEU A 143 33.137 16.328 24.045 1.00 54.54 C ATOM 1208 C LEU A 143 32.472 16.484 22.682 1.00 51.51 C ATOM 1209 O LEU A 143 32.298 17.593 22.171 1.00 49.13 O ATOM 1210 CB LEU A 143 32.076 16.187 25.135 1.00 53.26 C ATOM 1211 CG LEU A 143 32.590 16.039 26.568 1.00 47.98 C ATOM 1212 CD1 LEU A 143 31.439 15.773 27.524 1.00 53.91 C ATOM 1213 CD2 LEU A 143 33.629 14.932 26.655 1.00 50.39 C ATOM 1214 H LEU A 143 33.750 18.120 25.088 1.00 0.00 H ATOM 1215 N LEU A 144 32.094 15.350 22.094 1.00 47.53 N ATOM 1216 CA LEU A 144 31.542 15.314 20.747 1.00 47.61 C ATOM 1217 C LEU A 144 30.022 15.209 20.715 1.00 57.60 C ATOM 1218 O LEU A 144 29.442 15.220 19.626 1.00 62.16 O ATOM 1219 CB LEU A 144 32.154 14.148 19.963 1.00 49.93 C ATOM 1220 CG LEU A 144 33.668 14.191 19.753 1.00 50.05 C ATOM 1221 CD1 LEU A 144 34.157 12.892 19.135 1.00 53.03 C ATOM 1222 CD2 LEU A 144 34.050 15.377 18.884 1.00 48.04 C ATOM 1223 H LEU A 144 32.197 14.457 22.617 1.00 0.00 H ATOM 1224 N GLY A 145 29.368 15.108 21.864 1.00 50.98 N ATOM 1225 CA GLY A 145 27.925 15.005 21.931 1.00 50.83 C ATOM 1226 C GLY A 145 27.483 13.764 22.681 1.00 62.13 C ATOM 1227 O GLY A 145 28.290 12.969 23.162 1.00 66.29 O ATOM 1228 H GLY A 145 29.912 15.103 22.750 1.00 0.00 H ATOM 1229 N ARG A 147 26.161 13.618 22.781 1.00 63.36 N ATOM 1230 CA ARG A 147 25.575 12.508 23.523 1.00 72.35 C ATOM 1231 C ARG A 147 26.024 11.178 22.933 1.00 79.40 C ATOM 1232 O ARG A 147 25.734 10.876 21.771 1.00 81.98 O ATOM 1233 CB ARG A 147 24.050 12.595 23.505 1.00 77.46 C ATOM 1234 CG ARG A 147 23.390 11.648 24.496 1.00 88.66 C ATOM 1235 CD ARG A 147 21.921 11.417 24.186 1.00 94.79 C ATOM 1236 NE ARG A 147 21.753 10.660 22.949 1.00101.78 N ATOM 1237 CZ ARG A 147 20.660 9.971 22.634 1.00108.87 C ATOM 1238 NH1 ARG A 147 19.630 9.939 23.468 1.00112.48 N ATOM 1239 NH2 ARG A 147 20.599 9.310 21.486 1.00108.60 N ATOM 1240 HE ARG A 147 22.540 10.660 22.269 1.00 0.00 H ATOM 1241 HH12 ARG A 147 18.776 9.400 23.220 1.00 0.00 H ATOM 1242 HH11 ARG A 147 19.676 10.453 24.371 1.00 0.00 H ATOM 1243 HH22 ARG A 147 19.744 8.772 21.241 1.00 0.00 H ATOM 1244 HH21 ARG A 147 21.406 9.330 20.831 1.00 0.00 H ATOM 1245 H ARG A 147 25.536 14.310 22.321 1.00 0.00 H ATOM 1246 N ASN A 148 26.733 10.386 23.740 1.00 80.50 N ATOM 1247 CA ASN A 148 27.233 9.073 23.332 1.00 78.67 C ATOM 1248 C ASN A 148 28.123 9.162 22.095 1.00 71.58 C ATOM 1249 O ASN A 148 28.198 8.221 21.302 1.00 70.21 O ATOM 1250 CB ASN A 148 26.083 8.090 23.094 1.00 85.29 C ATOM 1251 CG ASN A 148 25.285 7.810 24.354 1.00 89.26 C ATOM 1252 OD1 ASN A 148 25.780 7.984 25.468 1.00 93.58 O ATOM 1253 ND2 ASN A 148 24.042 7.372 24.184 1.00 84.09 N ATOM 1254 HD22 ASN A 148 23.664 7.239 23.224 1.00 0.00 H ATOM 1255 HD21 ASN A 148 23.447 7.162 25.011 1.00 0.00 H ATOM 1256 H ASN A 148 26.940 10.718 24.704 1.00 0.00 H ATOM 1257 N ARG A 149 28.805 10.293 21.919 1.00 59.28 N ATOM 1258 CA ARG A 149 29.756 10.463 20.832 1.00 58.53 C ATOM 1259 C ARG A 149 31.201 10.453 21.311 1.00 58.87 C ATOM 1260 O ARG A 149 32.117 10.506 20.483 1.00 65.67 O ATOM 1261 CB ARG A 149 29.464 11.762 20.072 1.00 70.07 C ATOM 1262 CG ARG A 149 28.141 11.744 19.323 1.00 63.95 C ATOM 1263 CD ARG A 149 28.115 10.664 18.253 1.00 70.36 C ATOM 1264 NE ARG A 149 26.836 10.626 17.548 1.00 76.71 N ATOM 1265 CZ ARG A 149 26.469 9.661 16.711 1.00 83.32 C ATOM 1266 NH1 ARG A 149 27.284 8.642 16.467 1.00 86.40 N ATOM 1267 NH2 ARG A 149 25.285 9.714 16.116 1.00 83.35 N ATOM 1268 HE ARG A 149 26.168 11.406 17.712 1.00 0.00 H ATOM 1269 HH12 ARG A 149 26.993 7.889 15.811 1.00 0.00 H ATOM 1270 HH11 ARG A 149 28.213 8.597 16.931 1.00 0.00 H ATOM 1271 HH22 ARG A 149 24.998 8.959 15.461 1.00 0.00 H ATOM 1272 HH21 ARG A 149 24.644 10.511 16.304 1.00 0.00 H ATOM 1273 H ARG A 149 28.652 11.080 22.581 1.00 0.00 H ATOM 1274 N GLY A 150 31.428 10.386 22.621 1.00 58.66 N ATOM 1275 CA GLY A 150 32.770 10.349 23.164 1.00 59.00 C ATOM 1276 C GLY A 150 33.417 11.721 23.225 1.00 55.71 C ATOM 1277 O GLY A 150 32.756 12.764 23.191 1.00 73.23 O ATOM 1278 H GLY A 150 30.618 10.359 23.273 1.00 0.00 H ATOM 1279 N ILE A 151 34.745 11.708 23.320 1.00 57.96 N ATOM 1280 CA ILE A 151 35.545 12.925 23.361 1.00 54.76 C ATOM 1281 C ILE A 151 36.436 12.961 22.127 1.00 53.86 C ATOM 1282 O ILE A 151 36.782 11.922 21.554 1.00 62.62 O ATOM 1283 CB ILE A 151 36.382 13.021 24.659 1.00 62.68 C ATOM 1284 CG1 ILE A 151 36.925 14.439 24.853 1.00 63.11 C ATOM 1285 CG2 ILE A 151 37.518 12.006 24.648 1.00 57.78 C ATOM 1286 CD1 ILE A 151 37.777 14.603 26.092 1.00 61.08 C ATOM 1287 H ILE A 151 35.232 10.790 23.367 1.00 0.00 H ATOM 1288 N ALA A 152 36.792 14.171 21.708 1.00 59.41 N ATOM 1289 CA ALA A 152 37.628 14.353 20.533 1.00 51.53 C ATOM 1290 C ALA A 152 39.081 14.014 20.837 1.00 57.23 C ATOM 1291 O ALA A 152 39.601 14.335 21.910 1.00 57.35 O ATOM 1292 CB ALA A 152 37.528 15.790 20.024 1.00 48.71 C ATOM 1293 H ALA A 152 36.465 15.007 22.233 1.00 0.00 H ATOM 1294 N SER A 153 39.732 13.353 19.881 1.00 59.57 N ATOM 1295 CA SER A 153 41.173 13.141 19.905 1.00 60.15 C ATOM 1296 C SER A 153 41.900 14.117 18.989 1.00 62.65 C ATOM 1297 O SER A 153 42.904 14.716 19.385 1.00 69.62 O ATOM 1298 CB SER A 153 41.503 11.699 19.501 1.00 61.40 C ATOM 1299 OG SER A 153 40.972 10.771 20.432 1.00 73.43 O ATOM 1300 HG SER A 153 41.358 10.945 21.327 1.00 0.00 H ATOM 1301 H SER A 153 39.187 12.971 19.082 1.00 0.00 H ATOM 1302 N VAL A 154 41.398 14.296 17.775 1.00 61.67 N ATOM 1303 CA VAL A 154 41.895 15.302 16.845 1.00 54.68 C ATOM 1304 C VAL A 154 41.134 16.597 17.091 1.00 63.74 C ATOM 1305 O VAL A 154 39.949 16.587 17.443 1.00 63.66 O ATOM 1306 CB VAL A 154 41.748 14.815 15.387 1.00 65.02 C ATOM 1307 CG1 VAL A 154 42.354 15.813 14.417 1.00 55.71 C ATOM 1308 CG2 VAL A 154 42.392 13.446 15.221 1.00 59.90 C ATOM 1309 H VAL A 154 40.610 13.688 17.471 1.00 0.00 H ATOM 1310 N LEU A 155 41.823 17.724 16.920 1.00 56.78 N ATOM 1311 CA LEU A 155 41.200 19.024 17.136 1.00 47.70 C ATOM 1312 C LEU A 155 40.003 19.214 16.211 1.00 54.46 C ATOM 1313 O LEU A 155 40.087 18.970 15.003 1.00 65.20 O ATOM 1314 CB LEU A 155 42.225 20.138 16.918 1.00 47.59 C ATOM 1315 CG LEU A 155 41.721 21.573 17.090 1.00 52.51 C ATOM 1316 CD1 LEU A 155 41.270 21.825 18.523 1.00 46.29 C ATOM 1317 CD2 LEU A 155 42.794 22.570 16.674 1.00 45.96 C ATOM 1318 H LEU A 155 42.820 17.676 16.628 1.00 0.00 H ATOM 1319 N GLN A 156 38.886 19.645 16.786 1.00 44.85 N ATOM 1320 CA GLN A 156 37.660 19.895 16.045 1.00 47.24 C ATOM 1321 C GLN A 156 37.489 21.391 15.809 1.00 50.25 C ATOM 1322 O GLN A 156 37.966 22.218 16.589 1.00 60.24 O ATOM 1323 CB GLN A 156 36.443 19.351 16.799 1.00 43.64 C ATOM 1324 CG GLN A 156 36.524 17.878 17.160 1.00 47.70 C ATOM 1325 CD GLN A 156 36.418 16.974 15.949 1.00 47.51 C ATOM 1326 OE1 GLN A 156 35.379 16.917 15.293 1.00 49.59 O ATOM 1327 NE2 GLN A 156 37.497 16.261 15.646 1.00 49.49 N ATOM 1328 HE22 GLN A 156 38.354 16.341 16.230 1.00 0.00 H ATOM 1329 HE21 GLN A 156 37.485 15.622 14.825 1.00 0.00 H ATOM 1330 H GLN A 156 38.888 19.811 17.813 1.00 0.00 H ATOM 1331 N GLU A 157 36.805 21.731 14.718 1.00 48.29 N ATOM 1332 CA GLU A 157 36.449 23.113 14.429 1.00 50.04 C ATOM 1333 C GLU A 157 35.023 23.146 13.899 1.00 55.54 C ATOM 1334 O GLU A 157 34.504 22.145 13.398 1.00 60.66 O ATOM 1335 CB GLU A 157 37.412 23.765 13.427 1.00 48.91 C ATOM 1336 CG GLU A 157 37.330 23.214 12.017 1.00 53.49 C ATOM 1337 CD GLU A 157 38.326 23.873 11.083 1.00 66.26 C ATOM 1338 OE1 GLU A 157 39.481 24.092 11.505 1.00 71.30 O ATOM 1339 OE2 GLU A 157 37.952 24.180 9.931 1.00 73.32 O ATOM 1340 H GLU A 157 36.516 20.986 14.052 1.00 0.00 H ATOM 1341 N LEU A 158 34.387 24.311 14.016 1.00 40.93 N ATOM 1342 CA LEU A 158 32.965 24.415 13.717 1.00 41.15 C ATOM 1343 C LEU A 158 32.628 25.818 13.235 1.00 52.09 C ATOM 1344 O LEU A 158 33.051 26.806 13.842 1.00 53.27 O ATOM 1345 CB LEU A 158 32.135 24.065 14.957 1.00 40.18 C ATOM 1346 CG LEU A 158 30.616 24.226 14.900 1.00 43.06 C ATOM 1347 CD1 LEU A 158 30.008 23.228 13.932 1.00 43.38 C ATOM 1348 CD2 LEU A 158 30.016 24.064 16.288 1.00 39.67 C ATOM 1349 H LEU A 158 34.911 25.155 14.324 1.00 0.00 H ATOM 1350 N ASN A 159 31.856 25.895 12.152 1.00 52.33 N ATOM 1351 CA ASN A 159 31.371 27.168 11.636 1.00 52.22 C ATOM 1352 C ASN A 159 30.163 27.629 12.440 1.00 55.32 C ATOM 1353 O ASN A 159 29.189 26.886 12.595 1.00 60.38 O ATOM 1354 CB ASN A 159 30.993 27.038 10.161 1.00 50.22 C ATOM 1355 CG ASN A 159 32.197 27.017 9.242 1.00 59.00 C ATOM 1356 OD1 ASN A 159 33.035 26.116 9.307 1.00 64.84 O ATOM 1357 ND2 ASN A 159 32.276 28.010 8.362 1.00 62.41 N ATOM 1358 HD22 ASN A 159 31.544 28.749 8.345 1.00 0.00 H ATOM 1359 HD21 ASN A 159 33.070 28.048 7.691 1.00 0.00 H ATOM 1360 H ASN A 159 31.591 25.018 11.659 1.00 0.00 H ATOM 1361 N VAL A 160 30.223 28.859 12.949 1.00 56.94 N ATOM 1362 CA VAL A 160 29.160 29.425 13.765 1.00 52.67 C ATOM 1363 C VAL A 160 28.802 30.808 13.233 1.00 54.22 C ATOM 1364 O VAL A 160 29.512 31.390 12.412 1.00 57.42 O ATOM 1365 CB VAL A 160 29.548 29.507 15.255 1.00 45.38 C ATOM 1366 CG1 VAL A 160 29.842 28.119 15.813 1.00 39.37 C ATOM 1367 CG2 VAL A 160 30.746 30.424 15.430 1.00 39.96 C ATOM 1368 H VAL A 160 31.065 29.438 12.755 1.00 0.00 H ATOM 1369 N THR A 162 27.676 31.327 13.719 1.00 49.14 N ATOM 1370 CA THR A 162 27.167 32.636 13.335 1.00 53.73 C ATOM 1371 C THR A 162 26.901 33.442 14.597 1.00 53.86 C ATOM 1372 O THR A 162 26.210 32.965 15.504 1.00 58.90 O ATOM 1373 CB THR A 162 25.884 32.510 12.504 1.00 60.39 C ATOM 1374 OG1 THR A 162 26.141 31.715 11.339 1.00 80.32 O ATOM 1375 CG2 THR A 162 25.387 33.877 12.075 1.00 56.44 C ATOM 1376 HG1 THR A 162 26.845 32.148 10.794 1.00 0.00 H ATOM 1377 H THR A 162 27.132 30.769 14.408 1.00 0.00 H ATOM 1378 N VAL A 163 27.435 34.663 14.651 1.00 49.70 N ATOM 1379 CA VAL A 163 27.250 35.507 15.824 1.00 51.91 C ATOM 1380 C VAL A 163 25.795 35.943 15.918 1.00 59.39 C ATOM 1381 O VAL A 163 25.184 36.351 14.922 1.00 61.75 O ATOM 1382 CB VAL A 163 28.194 36.720 15.770 1.00 50.28 C ATOM 1383 CG1 VAL A 163 27.873 37.693 16.892 1.00 47.50 C ATOM 1384 CG2 VAL A 163 29.632 36.267 15.874 1.00 45.20 C ATOM 1385 H VAL A 163 27.990 35.017 13.846 1.00 0.00 H ATOM 1386 N VAL A 164 25.232 35.854 17.121 1.00 61.07 N ATOM 1387 CA VAL A 164 23.858 36.261 17.377 1.00 60.28 C ATOM 1388 C VAL A 164 23.822 37.118 18.634 1.00 57.97 C ATOM 1389 O VAL A 164 24.608 36.927 19.567 1.00 62.59 O ATOM 1390 CB VAL A 164 22.909 35.049 17.522 1.00 48.97 C ATOM 1391 CG1 VAL A 164 22.884 34.228 16.243 1.00 51.68 C ATOM 1392 CG2 VAL A 164 23.322 34.187 18.700 1.00 46.54 C ATOM 1393 H VAL A 164 25.796 35.479 17.910 1.00 0.00 H ATOM 1394 N THR A 165 22.905 38.083 18.644 1.00 55.78 N ATOM 1395 CA THR A 165 22.660 38.913 19.814 1.00 58.70 C ATOM 1396 C THR A 165 21.387 38.525 20.550 1.00 64.45 C ATOM 1397 O THR A 165 21.155 39.016 21.660 1.00 69.37 O ATOM 1398 CB THR A 165 22.590 40.394 19.419 1.00 59.25 C ATOM 1399 OG1 THR A 165 21.471 40.607 18.550 1.00 62.89 O ATOM 1400 CG2 THR A 165 23.869 40.815 18.711 1.00 55.81 C ATOM 1401 HG1 THR A 165 21.428 41.563 18.297 1.00 0.00 H ATOM 1402 H THR A 165 22.343 38.250 17.785 1.00 0.00 H ATOM 1403 N SER A 166 20.566 37.659 19.962 1.00 59.89 N ATOM 1404 CA SER A 166 19.339 37.212 20.603 1.00 62.94 C ATOM 1405 C SER A 166 19.643 36.141 21.640 1.00 58.94 C ATOM 1406 O SER A 166 20.539 35.311 21.453 1.00 66.38 O ATOM 1407 CB SER A 166 18.366 36.662 19.561 1.00 77.72 C ATOM 1408 OG SER A 166 18.120 37.618 18.545 1.00 94.75 O ATOM 1409 HG SER A 166 17.488 37.240 17.883 1.00 0.00 H ATOM 1410 H SER A 166 20.808 37.292 19.019 1.00 0.00 H ATOM 1411 N LEU A 167 18.885 36.165 22.738 1.00 56.98 N ATOM 1412 CA LEU A 167 19.092 35.245 23.856 1.00 52.38 C ATOM 1413 C LEU A 167 20.529 35.322 24.364 1.00 60.31 C ATOM 1414 O LEU A 167 21.167 34.306 24.646 1.00 59.09 O ATOM 1415 CB LEU A 167 18.719 33.812 23.468 1.00 51.61 C ATOM 1416 CG LEU A 167 17.323 33.646 22.865 1.00 59.70 C ATOM 1417 CD1 LEU A 167 16.997 32.175 22.637 1.00 53.84 C ATOM 1418 CD2 LEU A 167 16.273 34.306 23.749 1.00 66.34 C ATOM 1419 H LEU A 167 18.118 36.864 22.801 1.00 0.00 H ATOM 1420 N CYS A 168 21.041 36.545 24.481 1.00 57.09 N ATOM 1421 CA CYS A 168 22.448 36.765 24.781 1.00 48.78 C ATOM 1422 C CYS A 168 22.591 38.020 25.623 1.00 53.00 C ATOM 1423 O CYS A 168 22.005 39.057 25.296 1.00 66.46 O ATOM 1424 CB CYS A 168 23.266 36.903 23.494 1.00 61.41 C ATOM 1425 SG CYS A 168 25.050 36.861 23.739 1.00 58.53 S ATOM 1426 H CYS A 168 20.417 37.368 24.354 1.00 0.00 H ATOM 1427 N ARG A 177 23.362 37.922 26.701 1.00 49.48 N ATOM 1428 CA ARG A 177 23.655 39.092 27.512 1.00 55.53 C ATOM 1429 C ARG A 177 24.595 40.037 26.774 1.00 58.40 C ATOM 1430 O ARG A 177 25.393 39.628 25.926 1.00 52.17 O ATOM 1431 CB ARG A 177 24.275 38.689 28.850 1.00 60.34 C ATOM 1432 CG ARG A 177 23.452 37.707 29.663 1.00 57.54 C ATOM 1433 CD ARG A 177 24.142 37.391 30.980 1.00 50.79 C ATOM 1434 NE ARG A 177 25.481 36.844 30.779 1.00 48.79 N ATOM 1435 CZ ARG A 177 26.255 36.384 31.756 1.00 47.59 C ATOM 1436 NH1 ARG A 177 25.825 36.401 33.009 1.00 49.27 N ATOM 1437 NH2 ARG A 177 27.460 35.904 31.481 1.00 70.77 N ATOM 1438 HE ARG A 177 25.853 36.812 29.808 1.00 0.00 H ATOM 1439 HH12 ARG A 177 26.433 36.040 33.772 1.00 0.00 H ATOM 1440 HH11 ARG A 177 24.880 36.775 33.229 1.00 0.00 H ATOM 1441 HH22 ARG A 177 28.064 35.545 32.248 1.00 0.00 H ATOM 1442 HH21 ARG A 177 27.801 35.887 30.499 1.00 0.00 H ATOM 1443 H ARG A 177 23.760 36.999 26.967 1.00 0.00 H ATOM 1444 N ARG A 178 24.482 41.324 27.105 1.00 61.94 N ATOM 1445 CA ARG A 178 25.376 42.332 26.553 1.00 60.44 C ATOM 1446 C ARG A 178 26.822 42.110 26.976 1.00 60.98 C ATOM 1447 O ARG A 178 27.738 42.596 26.304 1.00 60.84 O ATOM 1448 CB ARG A 178 24.889 43.710 27.003 1.00 71.33 C ATOM 1449 CG ARG A 178 23.861 44.348 26.086 1.00 80.40 C ATOM 1450 CD ARG A 178 23.131 45.479 26.799 1.00 90.33 C ATOM 1451 NE ARG A 178 24.018 46.422 27.470 1.00 94.15 N ATOM 1452 CZ ARG A 178 23.585 47.436 28.212 1.00100.56 C ATOM 1453 NH1 ARG A 178 22.281 47.629 28.371 1.00100.28 N ATOM 1454 NH2 ARG A 178 24.449 48.253 28.798 1.00103.92 N ATOM 1455 HE ARG A 178 25.044 46.294 27.362 1.00 0.00 H ATOM 1456 HH12 ARG A 178 21.940 48.422 28.951 1.00 0.00 H ATOM 1457 HH11 ARG A 178 21.601 46.987 27.915 1.00 0.00 H ATOM 1458 HH22 ARG A 178 24.105 49.045 29.378 1.00 0.00 H ATOM 1459 HH21 ARG A 178 25.471 48.102 28.678 1.00 0.00 H ATOM 1460 H ARG A 178 23.739 41.614 27.772 1.00 0.00 H ATOM 1461 N SER A 179 27.045 41.378 28.067 1.00 61.24 N ATOM 1462 CA SER A 179 28.375 41.014 28.533 1.00 57.62 C ATOM 1463 C SER A 179 28.905 39.737 27.885 1.00 60.32 C ATOM 1464 O SER A 179 29.843 39.132 28.416 1.00 55.15 O ATOM 1465 CB SER A 179 28.374 40.867 30.055 1.00 56.05 C ATOM 1466 OG SER A 179 27.324 40.014 30.476 1.00 65.55 O ATOM 1467 HG SER A 179 27.342 39.933 31.463 1.00 0.00 H ATOM 1468 H SER A 179 26.225 41.049 28.615 1.00 0.00 H ATOM 1469 N ASN A 180 28.327 39.308 26.765 1.00 64.56 N ATOM 1470 CA ASN A 180 28.747 38.074 26.117 1.00 44.59 C ATOM 1471 C ASN A 180 28.724 38.230 24.604 1.00 51.44 C ATOM 1472 O ASN A 180 28.046 39.100 24.053 1.00 54.34 O ATOM 1473 CB ASN A 180 27.852 36.891 26.510 1.00 43.64 C ATOM 1474 CG ASN A 180 28.199 36.323 27.865 1.00 53.91 C ATOM 1475 OD1 ASN A 180 27.383 36.336 28.786 1.00 56.46 O ATOM 1476 ND2 ASN A 180 29.418 35.815 27.996 1.00 52.54 N ATOM 1477 HD22 ASN A 180 30.075 35.825 27.190 1.00 0.00 H ATOM 1478 HD21 ASN A 180 29.716 35.406 28.905 1.00 0.00 H ATOM 1479 H ASN A 180 27.558 39.867 26.344 1.00 0.00 H ATOM 1480 N VAL A 181 29.488 37.366 23.943 1.00 47.67 N ATOM 1481 CA VAL A 181 29.420 37.173 22.500 1.00 47.43 C ATOM 1482 C VAL A 181 28.862 35.778 22.268 1.00 53.72 C ATOM 1483 O VAL A 181 29.494 34.781 22.640 1.00 60.24 O ATOM 1484 CB VAL A 181 30.795 37.334 21.835 1.00 46.80 C ATOM 1485 CG1 VAL A 181 30.715 36.967 20.363 1.00 49.94 C ATOM 1486 CG2 VAL A 181 31.308 38.754 22.005 1.00 50.98 C ATOM 1487 H VAL A 181 30.170 36.798 24.484 1.00 0.00 H ATOM 1488 N CYS A 182 27.683 35.698 21.665 1.00 52.08 N ATOM 1489 CA CYS A 182 27.016 34.420 21.480 1.00 47.55 C ATOM 1490 C CYS A 182 27.008 34.021 20.011 1.00 50.69 C ATOM 1491 O CYS A 182 26.901 34.864 19.116 1.00 55.98 O ATOM 1492 CB CYS A 182 25.584 34.452 22.016 1.00 52.34 C ATOM 1493 SG CYS A 182 25.443 34.873 23.767 1.00 57.04 S ATOM 1494 H CYS A 182 27.227 36.566 21.318 1.00 0.00 H ATOM 1495 N THR A 183 27.119 32.716 19.782 1.00 47.91 N ATOM 1496 CA THR A 183 27.123 32.142 18.448 1.00 48.81 C ATOM 1497 C THR A 183 26.106 31.012 18.385 1.00 55.23 C ATOM 1498 O THR A 183 25.725 30.430 19.403 1.00 58.08 O ATOM 1499 CB THR A 183 28.510 31.613 18.056 1.00 59.06 C ATOM 1500 OG1 THR A 183 28.867 30.513 18.903 1.00 58.30 O ATOM 1501 CG2 THR A 183 29.560 32.707 18.183 1.00 59.32 C ATOM 1502 HG1 THR A 183 29.762 30.177 18.645 1.00 0.00 H ATOM 1503 H THR A 183 27.207 32.076 20.597 1.00 0.00 H ATOM 1504 N LEU A 184 25.669 30.707 17.167 1.00 58.19 N ATOM 1505 CA LEU A 184 24.660 29.684 16.948 1.00 49.88 C ATOM 1506 C LEU A 184 24.922 29.026 15.604 1.00 51.78 C ATOM 1507 O LEU A 184 25.237 29.705 14.624 1.00 53.69 O ATOM 1508 CB LEU A 184 23.246 30.276 16.991 1.00 45.61 C ATOM 1509 CG LEU A 184 22.072 29.315 16.785 1.00 50.86 C ATOM 1510 CD1 LEU A 184 22.058 28.239 17.859 1.00 46.89 C ATOM 1511 CD2 LEU A 184 20.753 30.074 16.764 1.00 57.49 C ATOM 1512 H LEU A 184 26.060 31.215 16.348 1.00 0.00 H ATOM 1513 N VAL A 185 24.791 27.704 15.565 1.00 54.59 N ATOM 1514 CA VAL A 185 24.949 26.947 14.331 1.00 44.76 C ATOM 1515 C VAL A 185 23.574 26.848 13.684 1.00 61.34 C ATOM 1516 O VAL A 185 22.701 26.117 14.158 1.00 58.06 O ATOM 1517 CB VAL A 185 25.553 25.562 14.587 1.00 43.96 C ATOM 1518 CG1 VAL A 185 25.678 24.792 13.283 1.00 45.53 C ATOM 1519 CG2 VAL A 185 26.910 25.698 15.260 1.00 54.80 C ATOM 1520 H VAL A 185 24.569 27.194 16.444 1.00 0.00 H ATOM 1521 N ARG A 186 23.387 27.591 12.599 1.00 63.07 N ATOM 1522 CA ARG A 186 22.093 27.703 11.944 1.00 68.28 C ATOM 1523 C ARG A 186 21.823 26.483 11.072 1.00 71.23 C ATOM 1524 O ARG A 186 22.650 26.114 10.232 1.00 78.14 O ATOM 1525 CB ARG A 186 22.070 28.977 11.101 1.00 76.79 C ATOM 1526 CG ARG A 186 20.759 29.314 10.426 1.00 89.09 C ATOM 1527 CD ARG A 186 20.934 30.601 9.634 1.00 97.71 C ATOM 1528 NE ARG A 186 19.772 30.943 8.823 1.00109.93 N ATOM 1529 CZ ARG A 186 19.673 32.059 8.109 1.00121.24 C ATOM 1530 NH1 ARG A 186 20.672 32.933 8.108 1.00123.82 N ATOM 1531 NH2 ARG A 186 18.583 32.302 7.393 1.00125.96 N ATOM 1532 HE ARG A 186 18.975 30.275 8.802 1.00 0.00 H ATOM 1533 HH12 ARG A 186 20.597 33.807 7.550 1.00 0.00 H ATOM 1534 HH11 ARG A 186 21.529 32.743 8.665 1.00 0.00 H ATOM 1535 HH22 ARG A 186 18.511 33.177 6.836 1.00 0.00 H ATOM 1536 HH21 ARG A 186 17.800 31.617 7.389 1.00 0.00 H ATOM 1537 H ARG A 186 24.195 28.112 12.203 1.00 0.00 H ATOM 1538 N GLY A 186A 20.664 25.856 11.276 1.00 69.39 N ATOM 1539 CA GLY A 186A 20.209 24.770 10.435 1.00 70.93 C ATOM 1540 C GLY A 186A 20.378 23.379 11.011 1.00 74.22 C ATOM 1541 O GLY A 186A 19.834 22.426 10.441 1.00 83.66 O ATOM 1542 H GLY A 186A 20.064 26.159 12.070 1.00 0.00 H ATOM 1543 N ARG A 187 21.108 23.230 12.115 1.00 72.13 N ATOM 1544 CA ARG A 187 21.329 21.917 12.707 1.00 66.96 C ATOM 1545 C ARG A 187 21.816 22.085 14.139 1.00 63.72 C ATOM 1546 O ARG A 187 22.311 23.145 14.526 1.00 68.59 O ATOM 1547 CB ARG A 187 22.329 21.098 11.883 1.00 64.90 C ATOM 1548 CG ARG A 187 23.690 21.756 11.733 1.00 69.51 C ATOM 1549 CD ARG A 187 24.519 21.071 10.656 1.00 77.88 C ATOM 1550 NE ARG A 187 25.817 21.716 10.473 1.00 78.55 N ATOM 1551 CZ ARG A 187 26.915 21.389 11.146 1.00 78.80 C ATOM 1552 NH1 ARG A 187 26.876 20.419 12.050 1.00 76.59 N ATOM 1553 NH2 ARG A 187 28.053 22.031 10.916 1.00 78.38 N ATOM 1554 HE ARG A 187 25.886 22.480 9.771 1.00 0.00 H ATOM 1555 HH12 ARG A 187 27.736 20.164 12.576 1.00 0.00 H ATOM 1556 HH11 ARG A 187 25.985 19.914 12.232 1.00 0.00 H ATOM 1557 HH22 ARG A 187 28.911 21.773 11.444 1.00 0.00 H ATOM 1558 HH21 ARG A 187 28.087 22.792 10.208 1.00 0.00 H ATOM 1559 H ARG A 187 21.529 24.068 12.564 1.00 0.00 H ATOM 1560 N GLN A 188 21.667 21.016 14.920 1.00 62.24 N ATOM 1561 CA GLN A 188 22.053 21.029 16.328 1.00 64.07 C ATOM 1562 C GLN A 188 23.554 20.791 16.434 1.00 60.05 C ATOM 1563 O GLN A 188 24.035 19.678 16.197 1.00 50.47 O ATOM 1564 CB GLN A 188 21.270 19.980 17.111 1.00 68.00 C ATOM 1565 CG GLN A 188 19.809 20.336 17.327 1.00 78.81 C ATOM 1566 CD GLN A 188 19.027 19.222 17.994 1.00 84.81 C ATOM 1567 OE1 GLN A 188 19.178 18.049 17.651 1.00 85.83 O ATOM 1568 NE2 GLN A 188 18.192 19.584 18.960 1.00 88.79 N ATOM 1569 HE22 GLN A 188 18.097 20.587 19.216 1.00 0.00 H ATOM 1570 HE21 GLN A 188 17.633 18.864 19.461 1.00 0.00 H ATOM 1571 H GLN A 188 21.264 20.147 14.515 1.00 0.00 H ATOM 1572 N ALA A 188A 24.294 21.839 16.789 1.00 58.64 N ATOM 1573 CA ALA A 188A 25.744 21.774 16.893 1.00 54.35 C ATOM 1574 C ALA A 188A 26.222 22.917 17.776 1.00 56.03 C ATOM 1575 O ALA A 188A 25.552 23.946 17.894 1.00 61.17 O ATOM 1576 CB ALA A 188A 26.410 21.846 15.514 1.00 52.28 C ATOM 1577 H ALA A 188A 23.817 22.739 17.000 1.00 0.00 H ATOM 1578 N GLY A 189 27.379 22.723 18.395 1.00 54.66 N ATOM 1579 CA GLY A 189 27.940 23.747 19.252 1.00 47.30 C ATOM 1580 C GLY A 189 29.077 23.194 20.082 1.00 49.20 C ATOM 1581 O GLY A 189 29.482 22.036 19.939 1.00 59.74 O ATOM 1582 H GLY A 189 27.889 21.826 18.264 1.00 0.00 H ATOM 1583 N VAL A 190 29.586 24.054 20.963 1.00 46.10 N ATOM 1584 CA VAL A 190 30.673 23.683 21.863 1.00 46.46 C ATOM 1585 C VAL A 190 30.110 22.855 23.010 1.00 47.46 C ATOM 1586 O VAL A 190 28.894 22.818 23.224 1.00 53.13 O ATOM 1587 CB VAL A 190 31.413 24.925 22.390 1.00 44.32 C ATOM 1588 CG1 VAL A 190 31.914 25.771 21.231 1.00 39.43 C ATOM 1589 CG2 VAL A 190 30.506 25.737 23.305 1.00 39.54 C ATOM 1590 H VAL A 190 29.197 25.018 21.011 1.00 0.00 H ATOM 1591 N CYS A 191 30.987 22.193 23.758 1.00 44.24 N ATOM 1592 CA CYS A 191 30.558 21.314 24.837 1.00 51.90 C ATOM 1593 C CYS A 191 31.607 21.356 25.943 1.00 48.35 C ATOM 1594 O CYS A 191 32.546 22.157 25.901 1.00 51.62 O ATOM 1595 CB CYS A 191 30.319 19.894 24.308 1.00 60.95 C ATOM 1596 SG CYS A 191 29.212 18.898 25.330 1.00 73.57 S ATOM 1597 H CYS A 191 32.003 22.305 23.568 1.00 0.00 H ATOM 1598 N PHE A 192 31.433 20.499 26.947 1.00 44.37 N ATOM 1599 CA PHE A 192 32.400 20.411 28.033 1.00 53.29 C ATOM 1600 C PHE A 192 33.773 20.033 27.493 1.00 56.90 C ATOM 1601 O PHE A 192 33.901 19.173 26.618 1.00 57.37 O ATOM 1602 CB PHE A 192 31.938 19.392 29.076 1.00 60.35 C ATOM 1603 CG PHE A 192 30.694 19.800 29.812 1.00 63.39 C ATOM 1604 CD1 PHE A 192 30.457 21.132 30.113 1.00 69.79 C ATOM 1605 CD2 PHE A 192 29.762 18.854 30.205 1.00 68.75 C ATOM 1606 CE1 PHE A 192 29.314 21.513 30.791 1.00 72.06 C ATOM 1607 CE2 PHE A 192 28.616 19.228 30.883 1.00 73.44 C ATOM 1608 CZ PHE A 192 28.393 20.559 31.176 1.00 76.20 C ATOM 1609 H PHE A 192 30.595 19.884 26.956 1.00 0.00 H ATOM 1610 N GLY A 193 34.804 20.683 28.026 1.00 57.86 N ATOM 1611 CA GLY A 193 36.147 20.552 27.517 1.00 49.30 C ATOM 1612 C GLY A 193 36.513 21.562 26.453 1.00 46.22 C ATOM 1613 O GLY A 193 37.704 21.747 26.176 1.00 48.70 O ATOM 1614 H GLY A 193 34.635 21.309 28.840 1.00 0.00 H ATOM 1615 N ASP A 194 35.525 22.222 25.852 1.00 45.91 N ATOM 1616 CA ASP A 194 35.771 23.322 24.932 1.00 41.08 C ATOM 1617 C ASP A 194 35.894 24.665 25.635 1.00 43.85 C ATOM 1618 O ASP A 194 36.281 25.645 24.990 1.00 51.52 O ATOM 1619 CB ASP A 194 34.653 23.408 23.890 1.00 40.68 C ATOM 1620 CG ASP A 194 34.647 22.231 22.947 1.00 48.82 C ATOM 1621 OD1 ASP A 194 35.744 21.754 22.590 1.00 51.99 O ATOM 1622 OD2 ASP A 194 33.546 21.780 22.566 1.00 49.17 O ATOM 1623 H ASP A 194 34.543 21.941 26.047 1.00 0.00 H ATOM 1624 N SER A 195 35.551 24.738 26.921 1.00 39.85 N ATOM 1625 CA SER A 195 35.690 25.977 27.675 1.00 40.70 C ATOM 1626 C SER A 195 37.114 26.508 27.571 1.00 49.73 C ATOM 1627 O SER A 195 38.085 25.748 27.633 1.00 61.63 O ATOM 1628 CB SER A 195 35.315 25.750 29.143 1.00 46.31 C ATOM 1629 OG SER A 195 34.063 25.093 29.264 1.00 53.53 O ATOM 1630 HG SER A 195 33.852 24.962 30.222 1.00 0.00 H ATOM 1631 H SER A 195 35.176 23.892 27.396 1.00 0.00 H ATOM 1632 N GLY A 196 37.234 27.825 27.411 1.00 41.63 N ATOM 1633 CA GLY A 196 38.524 28.460 27.258 1.00 43.00 C ATOM 1634 C GLY A 196 39.076 28.462 25.851 1.00 48.68 C ATOM 1635 O GLY A 196 40.059 29.169 25.590 1.00 52.13 O ATOM 1636 H GLY A 196 36.376 28.413 27.396 1.00 0.00 H ATOM 1637 N SER A 197 38.488 27.693 24.938 1.00 44.04 N ATOM 1638 CA SER A 197 38.966 27.664 23.568 1.00 38.72 C ATOM 1639 C SER A 197 38.600 28.965 22.854 1.00 43.05 C ATOM 1640 O SER A 197 37.618 29.624 23.209 1.00 38.95 O ATOM 1641 CB SER A 197 38.371 26.473 22.823 1.00 41.08 C ATOM 1642 OG SER A 197 38.701 25.252 23.463 1.00 45.95 O ATOM 1643 HG SER A 197 38.344 25.258 24.387 1.00 0.00 H ATOM 1644 H SER A 197 37.675 27.105 25.210 1.00 0.00 H ATOM 1645 N PRO A 198 39.375 29.360 21.849 1.00 43.22 N ATOM 1646 CA PRO A 198 39.122 30.637 21.178 1.00 41.98 C ATOM 1647 C PRO A 198 37.937 30.569 20.225 1.00 45.35 C ATOM 1648 O PRO A 198 37.475 29.500 19.822 1.00 42.18 O ATOM 1649 CB PRO A 198 40.424 30.893 20.411 1.00 45.06 C ATOM 1650 CG PRO A 198 40.955 29.531 20.135 1.00 41.79 C ATOM 1651 CD PRO A 198 40.593 28.704 21.340 1.00 42.68 C ATOM 1652 N LEU A 199 37.449 31.757 19.876 1.00 49.61 N ATOM 1653 CA LEU A 199 36.443 31.948 18.836 1.00 46.93 C ATOM 1654 C LEU A 199 37.036 32.909 17.816 1.00 44.91 C ATOM 1655 O LEU A 199 37.154 34.110 18.084 1.00 49.95 O ATOM 1656 CB LEU A 199 35.141 32.492 19.421 1.00 49.81 C ATOM 1657 CG LEU A 199 34.069 32.944 18.427 1.00 55.04 C ATOM 1658 CD1 LEU A 199 33.388 31.746 17.780 1.00 60.13 C ATOM 1659 CD2 LEU A 199 33.052 33.837 19.115 1.00 51.51 C ATOM 1660 H LEU A 199 37.805 32.598 20.373 1.00 0.00 H ATOM 1661 N VAL A 200 37.413 32.387 16.653 1.00 47.13 N ATOM 1662 CA VAL A 200 38.146 33.161 15.657 1.00 49.60 C ATOM 1663 C VAL A 200 37.157 33.808 14.698 1.00 49.32 C ATOM 1664 O VAL A 200 36.356 33.119 14.056 1.00 51.02 O ATOM 1665 CB VAL A 200 39.150 32.282 14.898 1.00 50.34 C ATOM 1666 CG1 VAL A 200 40.039 33.144 14.018 1.00 49.79 C ATOM 1667 CG2 VAL A 200 39.984 31.465 15.873 1.00 46.60 C ATOM 1668 H VAL A 200 37.178 31.395 16.447 1.00 0.00 H ATOM 1669 N CYS A 201 37.218 35.135 14.596 1.00 57.82 N ATOM 1670 CA CYS A 201 36.407 35.899 13.656 1.00 67.82 C ATOM 1671 C CYS A 201 37.310 36.891 12.939 1.00 66.79 C ATOM 1672 O CYS A 201 37.957 37.720 13.588 1.00 65.45 O ATOM 1673 CB CYS A 201 35.270 36.634 14.369 1.00 75.01 C ATOM 1674 SG CYS A 201 34.385 35.669 15.618 1.00 81.80 S ATOM 1675 H CYS A 201 37.875 35.650 15.216 1.00 0.00 H ATOM 1676 N ASN A 204 37.348 36.808 11.607 1.00 66.77 N ATOM 1677 CA ASN A 204 38.192 37.676 10.779 1.00 61.33 C ATOM 1678 C ASN A 204 39.657 37.590 11.202 1.00 60.83 C ATOM 1679 O ASN A 204 40.379 38.589 11.212 1.00 68.61 O ATOM 1680 CB ASN A 204 37.706 39.128 10.814 1.00 61.53 C ATOM 1681 CG ASN A 204 36.235 39.263 10.475 1.00 71.28 C ATOM 1682 OD1 ASN A 204 35.839 39.148 9.315 1.00 67.95 O ATOM 1683 ND2 ASN A 204 35.415 39.515 11.490 1.00 74.28 N ATOM 1684 HD22 ASN A 204 35.794 39.604 12.455 1.00 0.00 H ATOM 1685 HD21 ASN A 204 34.395 39.623 11.320 1.00 0.00 H ATOM 1686 H ASN A 204 36.753 36.097 11.136 1.00 0.00 H ATOM 1687 N GLY A 205 40.100 36.386 11.557 1.00 55.37 N ATOM 1688 CA GLY A 205 41.460 36.198 12.020 1.00 58.12 C ATOM 1689 C GLY A 205 41.762 36.790 13.377 1.00 68.24 C ATOM 1690 O GLY A 205 42.936 36.892 13.744 1.00 76.20 O ATOM 1691 H GLY A 205 39.460 35.568 11.501 1.00 0.00 H ATOM 1692 N LEU A 208 40.742 37.189 14.133 1.00 62.63 N ATOM 1693 CA LEU A 208 40.917 37.773 15.453 1.00 58.50 C ATOM 1694 C LEU A 208 40.158 36.956 16.490 1.00 59.73 C ATOM 1695 O LEU A 208 39.112 36.367 16.198 1.00 64.74 O ATOM 1696 CB LEU A 208 40.440 39.229 15.483 1.00 53.92 C ATOM 1697 CG LEU A 208 41.085 40.164 14.460 1.00 55.89 C ATOM 1698 CD1 LEU A 208 40.507 41.565 14.574 1.00 59.35 C ATOM 1699 CD2 LEU A 208 42.592 40.186 14.646 1.00 57.06 C ATOM 1700 H LEU A 208 39.776 37.078 13.763 1.00 0.00 H ATOM 1701 N ILE A 209 40.696 36.922 17.707 1.00 53.65 N ATOM 1702 CA ILE A 209 40.114 36.148 18.798 1.00 54.09 C ATOM 1703 C ILE A 209 39.096 37.046 19.494 1.00 51.80 C ATOM 1704 O ILE A 209 39.446 37.856 20.353 1.00 60.16 O ATOM 1705 CB ILE A 209 41.181 35.643 19.771 1.00 54.08 C ATOM 1706 CG1 ILE A 209 42.358 35.030 19.008 1.00 50.46 C ATOM 1707 CG2 ILE A 209 40.582 34.625 20.730 1.00 44.06 C ATOM 1708 CD1 ILE A 209 41.986 33.839 18.155 1.00 46.68 C ATOM 1709 H ILE A 209 41.563 37.467 17.887 1.00 0.00 H ATOM 1710 N HIS A 210 37.823 36.892 19.129 1.00 45.89 N ATOM 1711 CA HIS A 210 36.762 37.721 19.685 1.00 54.83 C ATOM 1712 C HIS A 210 36.067 37.091 20.883 1.00 53.10 C ATOM 1713 O HIS A 210 35.365 37.801 21.613 1.00 54.41 O ATOM 1714 CB HIS A 210 35.709 38.029 18.614 1.00 48.57 C ATOM 1715 CG HIS A 210 35.983 39.274 17.830 1.00 51.77 C ATOM 1716 ND1 HIS A 210 36.707 39.272 16.657 1.00 56.69 N ATOM 1717 CD2 HIS A 210 35.622 40.561 18.047 1.00 51.04 C ATOM 1718 CE1 HIS A 210 36.784 40.504 16.187 1.00 55.25 C ATOM 1719 NE2 HIS A 210 36.134 41.306 17.012 1.00 52.88 N ATOM 1720 H HIS A 210 37.581 36.161 18.429 1.00 0.00 H ATOM 1721 N GLY A 211 36.240 35.792 21.109 1.00 52.83 N ATOM 1722 CA GLY A 211 35.503 35.121 22.162 1.00 48.72 C ATOM 1723 C GLY A 211 36.296 34.014 22.821 1.00 55.99 C ATOM 1724 O GLY A 211 37.237 33.457 22.245 1.00 60.44 O ATOM 1725 H GLY A 211 36.910 35.252 20.525 1.00 0.00 H ATOM 1726 N ILE A 212 35.900 33.711 24.055 1.00 55.15 N ATOM 1727 CA ILE A 212 36.440 32.601 24.832 1.00 41.39 C ATOM 1728 C ILE A 212 35.257 31.759 25.281 1.00 38.41 C ATOM 1729 O ILE A 212 34.367 32.264 25.975 1.00 51.39 O ATOM 1730 CB ILE A 212 37.254 33.079 26.046 1.00 38.84 C ATOM 1731 CG1 ILE A 212 38.506 33.833 25.601 1.00 41.20 C ATOM 1732 CG2 ILE A 212 37.623 31.911 26.946 1.00 39.97 C ATOM 1733 CD1 ILE A 212 39.265 34.461 26.750 1.00 40.22 C ATOM 1734 H ILE A 212 35.162 34.300 24.491 1.00 0.00 H ATOM 1735 N ALA A 213 35.241 30.487 24.883 1.00 38.05 N ATOM 1736 CA ALA A 213 34.114 29.609 25.180 1.00 37.84 C ATOM 1737 C ALA A 213 33.833 29.585 26.675 1.00 48.43 C ATOM 1738 O ALA A 213 34.717 29.279 27.480 1.00 53.30 O ATOM 1739 CB ALA A 213 34.395 28.198 24.665 1.00 37.68 C ATOM 1740 H ALA A 213 36.050 30.112 24.349 1.00 0.00 H ATOM 1741 N SER A 214 32.591 29.913 27.043 1.00 37.81 N ATOM 1742 CA SER A 214 32.225 30.090 28.446 1.00 37.78 C ATOM 1743 C SER A 214 31.199 29.056 28.890 1.00 48.18 C ATOM 1744 O SER A 214 31.528 28.194 29.709 1.00 56.80 O ATOM 1745 CB SER A 214 31.719 31.516 28.673 1.00 38.45 C ATOM 1746 OG SER A 214 31.446 31.749 30.044 1.00 68.94 O ATOM 1747 HG SER A 214 31.121 32.677 30.162 1.00 0.00 H ATOM 1748 H SER A 214 31.865 30.046 26.310 1.00 0.00 H ATOM 1749 N PHE A 215 29.969 29.102 28.383 1.00 41.59 N ATOM 1750 CA PHE A 215 28.949 28.179 28.859 1.00 49.88 C ATOM 1751 C PHE A 215 27.883 27.985 27.792 1.00 50.12 C ATOM 1752 O PHE A 215 27.711 28.815 26.895 1.00 52.79 O ATOM 1753 CB PHE A 215 28.316 28.669 30.170 1.00 46.94 C ATOM 1754 CG PHE A 215 27.581 29.980 30.046 1.00 40.78 C ATOM 1755 CD1 PHE A 215 26.237 30.013 29.706 1.00 42.80 C ATOM 1756 CD2 PHE A 215 28.233 31.178 30.289 1.00 41.67 C ATOM 1757 CE1 PHE A 215 25.561 31.216 29.597 1.00 42.73 C ATOM 1758 CE2 PHE A 215 27.563 32.385 30.184 1.00 43.78 C ATOM 1759 CZ PHE A 215 26.224 32.403 29.839 1.00 42.45 C ATOM 1760 H PHE A 215 29.737 29.798 27.646 1.00 0.00 H ATOM 1761 N VAL A 216 27.171 26.869 27.910 1.00 47.25 N ATOM 1762 CA VAL A 216 26.014 26.582 27.080 1.00 51.15 C ATOM 1763 C VAL A 216 24.779 26.559 27.977 1.00 50.74 C ATOM 1764 O VAL A 216 24.869 26.657 29.202 1.00 49.09 O ATOM 1765 CB VAL A 216 26.167 25.257 26.307 1.00 47.19 C ATOM 1766 CG1 VAL A 216 27.513 25.206 25.601 1.00 48.10 C ATOM 1767 CG2 VAL A 216 26.008 24.072 27.248 1.00 42.70 C ATOM 1768 H VAL A 216 27.454 26.171 28.627 1.00 0.00 H ATOM 1769 N ARG A 217 23.612 26.429 27.353 1.00 53.84 N ATOM 1770 CA ARG A 217 22.356 26.349 28.084 1.00 55.20 C ATOM 1771 C ARG A 217 21.482 25.267 27.470 1.00 47.88 C ATOM 1772 O ARG A 217 21.429 25.119 26.246 1.00 48.04 O ATOM 1773 CB ARG A 217 21.632 27.702 28.092 1.00 52.47 C ATOM 1774 CG ARG A 217 22.168 28.660 29.146 1.00 50.31 C ATOM 1775 CD ARG A 217 21.632 30.069 28.966 1.00 54.80 C ATOM 1776 NE ARG A 217 22.252 30.740 27.829 1.00 63.67 N ATOM 1777 CZ ARG A 217 21.848 31.908 27.342 1.00 70.50 C ATOM 1778 NH1 ARG A 217 20.819 32.537 27.893 1.00 77.04 N ATOM 1779 NH2 ARG A 217 22.473 32.447 26.303 1.00 58.54 N ATOM 1780 HE ARG A 217 23.061 30.275 27.371 1.00 0.00 H ATOM 1781 HH12 ARG A 217 20.503 33.451 27.511 1.00 0.00 H ATOM 1782 HH11 ARG A 217 20.328 32.116 28.707 1.00 0.00 H ATOM 1783 HH22 ARG A 217 22.156 33.361 25.923 1.00 0.00 H ATOM 1784 HH21 ARG A 217 23.280 31.955 25.869 1.00 0.00 H ATOM 1785 H ARG A 217 23.596 26.383 26.314 1.00 0.00 H ATOM 1786 N GLY A 218 20.799 24.514 28.328 1.00 49.55 N ATOM 1787 CA GLY A 218 19.995 23.401 27.863 1.00 50.93 C ATOM 1788 C GLY A 218 20.804 22.258 27.294 1.00 58.13 C ATOM 1789 O GLY A 218 20.337 21.567 26.385 1.00 67.27 O ATOM 1790 H GLY A 218 20.842 24.726 29.345 1.00 0.00 H ATOM 1791 N GLY A 219 22.010 22.038 27.809 1.00 60.49 N ATOM 1792 CA GLY A 219 22.888 21.016 27.284 1.00 64.21 C ATOM 1793 C GLY A 219 23.581 21.448 26.004 1.00 61.51 C ATOM 1794 O GLY A 219 23.230 22.439 25.360 1.00 66.81 O ATOM 1795 H GLY A 219 22.331 22.617 28.611 1.00 0.00 H ATOM 1796 N CYS A 220 24.603 20.679 25.637 1.00 61.25 N ATOM 1797 CA CYS A 220 25.351 20.954 24.419 1.00 61.96 C ATOM 1798 C CYS A 220 24.473 20.741 23.192 1.00 62.86 C ATOM 1799 O CYS A 220 23.664 19.810 23.144 1.00 69.81 O ATOM 1800 CB CYS A 220 26.587 20.056 24.343 1.00 67.08 C ATOM 1801 SG CYS A 220 27.692 20.172 25.771 1.00 79.03 S ATOM 1802 H CYS A 220 24.872 19.868 26.230 1.00 0.00 H ATOM 1803 N ALA A 221 24.644 21.612 22.195 1.00 55.14 N ATOM 1804 CA ALA A 221 23.926 21.518 20.924 1.00 62.25 C ATOM 1805 C ALA A 221 22.416 21.465 21.152 1.00 71.51 C ATOM 1806 O ALA A 221 21.698 20.648 20.570 1.00 73.61 O ATOM 1807 CB ALA A 221 24.405 20.313 20.113 1.00 59.52 C ATOM 1808 H ALA A 221 25.318 22.393 22.328 1.00 0.00 H ATOM 1809 N SER A 222 21.935 22.361 22.017 1.00 72.39 N ATOM 1810 CA SER A 222 20.527 22.348 22.400 1.00 73.28 C ATOM 1811 C SER A 222 19.610 22.731 21.246 1.00 75.43 C ATOM 1812 O SER A 222 18.478 22.239 21.170 1.00 81.81 O ATOM 1813 CB SER A 222 20.300 23.289 23.583 1.00 72.55 C ATOM 1814 OG SER A 222 20.747 24.601 23.282 1.00 72.21 O ATOM 1815 HG SER A 222 20.589 25.189 24.062 1.00 0.00 H ATOM 1816 H SER A 222 22.571 23.077 22.423 1.00 0.00 H ATOM 1817 N GLY A 222A 20.069 23.593 20.342 1.00 72.43 N ATOM 1818 CA GLY A 222A 19.197 24.120 19.316 1.00 71.20 C ATOM 1819 C GLY A 222A 18.196 25.145 19.797 1.00 77.02 C ATOM 1820 O GLY A 222A 17.411 25.649 18.985 1.00 77.68 O ATOM 1821 H GLY A 222A 21.065 23.891 20.374 1.00 0.00 H ATOM 1822 N LEU A 223 18.194 25.466 21.089 1.00 76.22 N ATOM 1823 CA LEU A 223 17.314 26.474 21.668 1.00 82.58 C ATOM 1824 C LEU A 223 18.056 27.722 22.114 1.00 82.59 C ATOM 1825 O LEU A 223 17.577 28.834 21.883 1.00 86.90 O ATOM 1826 CB LEU A 223 16.560 25.888 22.868 1.00 91.24 C ATOM 1827 CG LEU A 223 15.635 24.691 22.632 1.00 98.42 C ATOM 1828 CD1 LEU A 223 15.346 23.983 23.944 1.00100.71 C ATOM 1829 CD2 LEU A 223 14.340 25.128 21.971 1.00102.77 C ATOM 1830 H LEU A 223 18.856 24.971 21.720 1.00 0.00 H ATOM 1831 N TYR A 224 19.222 27.561 22.755 1.00 78.18 N ATOM 1832 CA TYR A 224 20.053 28.642 23.258 1.00 71.03 C ATOM 1833 C TYR A 224 21.360 28.734 22.480 1.00 70.49 C ATOM 1834 O TYR A 224 21.918 27.706 22.081 1.00 79.00 O ATOM 1835 CB TYR A 224 20.377 28.454 24.745 1.00 70.12 C ATOM 1836 CG TYR A 224 19.173 28.402 25.656 1.00 75.82 C ATOM 1837 CD1 TYR A 224 18.482 27.215 25.862 1.00 76.39 C ATOM 1838 CD2 TYR A 224 18.738 29.539 26.327 1.00 72.63 C ATOM 1839 CE1 TYR A 224 17.385 27.163 26.700 1.00 77.62 C ATOM 1840 CE2 TYR A 224 17.644 29.497 27.167 1.00 73.62 C ATOM 1841 CZ TYR A 224 16.971 28.307 27.351 1.00 78.17 C ATOM 1842 OH TYR A 224 15.879 28.260 28.187 1.00 83.93 O ATOM 1843 HH TYR A 224 15.518 27.338 28.205 1.00 0.00 H ATOM 1844 H TYR A 224 19.558 26.588 22.904 1.00 0.00 H ATOM 1845 N PRO A 225 21.866 29.939 22.243 1.00 66.37 N ATOM 1846 CA PRO A 225 23.193 30.082 21.640 1.00 64.26 C ATOM 1847 C PRO A 225 24.298 29.839 22.660 1.00 55.67 C ATOM 1848 O PRO A 225 24.115 29.991 23.869 1.00 62.72 O ATOM 1849 CB PRO A 225 23.204 31.535 21.155 1.00 66.27 C ATOM 1850 CG PRO A 225 22.277 32.234 22.091 1.00 69.71 C ATOM 1851 CD PRO A 225 21.198 31.239 22.429 1.00 69.95 C ATOM 1852 N ASP A 226 25.460 29.444 22.146 1.00 49.13 N ATOM 1853 CA ASP A 226 26.634 29.267 22.990 1.00 49.74 C ATOM 1854 C ASP A 226 27.214 30.626 23.359 1.00 46.55 C ATOM 1855 O ASP A 226 27.369 31.497 22.499 1.00 44.97 O ATOM 1856 CB ASP A 226 27.687 28.420 22.277 1.00 53.62 C ATOM 1857 CG ASP A 226 27.209 27.011 21.989 1.00 63.76 C ATOM 1858 OD1 ASP A 226 26.289 26.534 22.687 1.00 68.40 O ATOM 1859 OD2 ASP A 226 27.756 26.380 21.061 1.00 70.06 O ATOM 1860 H ASP A 226 25.531 29.259 21.125 1.00 0.00 H ATOM 1861 N ALA A 227 27.545 30.799 24.635 1.00 47.26 N ATOM 1862 CA ALA A 227 28.014 32.072 25.164 1.00 45.35 C ATOM 1863 C ALA A 227 29.532 32.061 25.286 1.00 45.21 C ATOM 1864 O ALA A 227 30.110 31.117 25.834 1.00 47.34 O ATOM 1865 CB ALA A 227 27.380 32.363 26.524 1.00 48.13 C ATOM 1866 H ALA A 227 27.465 29.990 25.284 1.00 0.00 H ATOM 1867 N PHE A 228 30.169 33.111 24.773 1.00 47.58 N ATOM 1868 CA PHE A 228 31.612 33.275 24.835 1.00 39.99 C ATOM 1869 C PHE A 228 31.951 34.518 25.646 1.00 52.33 C ATOM 1870 O PHE A 228 31.154 35.457 25.737 1.00 56.96 O ATOM 1871 CB PHE A 228 32.228 33.395 23.432 1.00 40.41 C ATOM 1872 CG PHE A 228 32.130 32.139 22.610 1.00 48.31 C ATOM 1873 CD1 PHE A 228 30.915 31.726 22.088 1.00 43.23 C ATOM 1874 CD2 PHE A 228 33.258 31.383 22.342 1.00 49.35 C ATOM 1875 CE1 PHE A 228 30.826 30.575 21.329 1.00 47.68 C ATOM 1876 CE2 PHE A 228 33.175 30.230 21.582 1.00 42.94 C ATOM 1877 CZ PHE A 228 31.957 29.827 21.075 1.00 40.56 C ATOM 1878 H PHE A 228 29.607 33.850 24.305 1.00 0.00 H ATOM 1879 N ALA A 229 33.141 34.518 26.234 1.00 46.33 N ATOM 1880 CA ALA A 229 33.618 35.702 26.939 1.00 41.10 C ATOM 1881 C ALA A 229 34.075 36.750 25.929 1.00 44.40 C ATOM 1882 O ALA A 229 34.878 36.438 25.045 1.00 44.58 O ATOM 1883 CB ALA A 229 34.762 35.347 27.881 1.00 40.43 C ATOM 1884 H ALA A 229 33.738 33.667 26.192 1.00 0.00 H ATOM 1885 N PRO A 230 33.597 37.991 26.029 1.00 42.39 N ATOM 1886 CA PRO A 230 33.926 38.993 25.006 1.00 44.52 C ATOM 1887 C PRO A 230 35.329 39.560 25.160 1.00 47.10 C ATOM 1888 O PRO A 230 35.549 40.491 25.940 1.00 51.60 O ATOM 1889 CB PRO A 230 32.857 40.070 25.223 1.00 50.68 C ATOM 1890 CG PRO A 230 32.517 39.965 26.673 1.00 44.17 C ATOM 1891 CD PRO A 230 32.676 38.515 27.052 1.00 47.84 C ATOM 1892 N VAL A 231 36.281 39.002 24.410 1.00 44.06 N ATOM 1893 CA VAL A 231 37.678 39.414 24.531 1.00 52.81 C ATOM 1894 C VAL A 231 37.833 40.897 24.218 1.00 56.23 C ATOM 1895 O VAL A 231 38.642 41.597 24.839 1.00 60.89 O ATOM 1896 CB VAL A 231 38.567 38.546 23.622 1.00 48.46 C ATOM 1897 CG1 VAL A 231 39.992 39.071 23.604 1.00 48.05 C ATOM 1898 CG2 VAL A 231 38.537 37.102 24.082 1.00 44.59 C ATOM 1899 H VAL A 231 36.024 38.261 23.727 1.00 0.00 H ATOM 1900 N ALA A 232 37.056 41.401 23.255 1.00 58.96 N ATOM 1901 CA ALA A 232 37.195 42.793 22.839 1.00 55.65 C ATOM 1902 C ALA A 232 36.922 43.759 23.986 1.00 59.22 C ATOM 1903 O ALA A 232 37.467 44.868 24.005 1.00 65.24 O ATOM 1904 CB ALA A 232 36.264 43.085 21.664 1.00 49.96 C ATOM 1905 H ALA A 232 36.345 40.795 22.797 1.00 0.00 H ATOM 1906 N GLN A 233 36.088 43.362 24.946 1.00 55.92 N ATOM 1907 CA GLN A 233 35.804 44.206 26.098 1.00 59.80 C ATOM 1908 C GLN A 233 36.916 44.186 27.140 1.00 62.42 C ATOM 1909 O GLN A 233 36.848 44.953 28.106 1.00 60.63 O ATOM 1910 CB GLN A 233 34.487 43.778 26.752 1.00 61.75 C ATOM 1911 CG GLN A 233 33.265 43.928 25.861 1.00 71.62 C ATOM 1912 CD GLN A 233 31.981 43.508 26.556 1.00 74.60 C ATOM 1913 OE1 GLN A 233 31.852 43.637 27.774 1.00 74.85 O ATOM 1914 NE2 GLN A 233 31.025 43.002 25.784 1.00 70.34 N ATOM 1915 HE22 GLN A 233 31.178 42.911 24.759 1.00 0.00 H ATOM 1916 HE21 GLN A 233 30.124 42.697 26.205 1.00 0.00 H ATOM 1917 H GLN A 233 35.631 42.431 24.871 1.00 0.00 H ATOM 1918 N PHE A 234 37.930 43.334 26.974 1.00 59.38 N ATOM 1919 CA PHE A 234 39.011 43.214 27.944 1.00 56.04 C ATOM 1920 C PHE A 234 40.383 43.503 27.347 1.00 56.48 C ATOM 1921 O PHE A 234 41.397 43.185 27.979 1.00 59.76 O ATOM 1922 CB PHE A 234 39.018 41.815 28.572 1.00 55.94 C ATOM 1923 CG PHE A 234 37.690 41.389 29.132 1.00 54.08 C ATOM 1924 CD1 PHE A 234 37.123 42.058 30.203 1.00 54.35 C ATOM 1925 CD2 PHE A 234 37.022 40.298 28.602 1.00 50.94 C ATOM 1926 CE1 PHE A 234 35.903 41.660 30.722 1.00 53.32 C ATOM 1927 CE2 PHE A 234 35.803 39.894 29.116 1.00 53.94 C ATOM 1928 CZ PHE A 234 35.244 40.575 30.178 1.00 44.55 C ATOM 1929 H PHE A 234 37.949 42.736 26.124 1.00 0.00 H ATOM 1930 N VAL A 235 40.448 44.105 26.157 1.00 51.52 N ATOM 1931 CA VAL A 235 41.735 44.272 25.486 1.00 62.19 C ATOM 1932 C VAL A 235 42.629 45.233 26.261 1.00 58.16 C ATOM 1933 O VAL A 235 43.842 45.020 26.370 1.00 62.10 O ATOM 1934 CB VAL A 235 41.523 44.734 24.033 1.00 67.28 C ATOM 1935 CG1 VAL A 235 42.859 45.004 23.359 1.00 56.05 C ATOM 1936 CG2 VAL A 235 40.739 43.687 23.258 1.00 61.59 C ATOM 1937 H VAL A 235 39.579 44.456 25.706 1.00 0.00 H ATOM 1938 N ASN A 236 42.050 46.302 26.815 1.00 62.01 N ATOM 1939 CA ASN A 236 42.840 47.226 27.625 1.00 60.54 C ATOM 1940 C ASN A 236 43.439 46.525 28.837 1.00 58.19 C ATOM 1941 O ASN A 236 44.594 46.777 29.202 1.00 61.47 O ATOM 1942 CB ASN A 236 41.981 48.410 28.064 1.00 59.35 C ATOM 1943 CG ASN A 236 41.775 49.423 26.958 1.00 68.36 C ATOM 1944 OD1 ASN A 236 42.273 49.253 25.846 1.00 71.84 O ATOM 1945 ND2 ASN A 236 41.037 50.485 27.258 1.00 68.53 N ATOM 1946 HD22 ASN A 236 40.636 50.587 28.212 1.00 0.00 H ATOM 1947 HD21 ASN A 236 40.860 51.215 26.539 1.00 0.00 H ATOM 1948 H ASN A 236 41.035 46.477 26.669 1.00 0.00 H ATOM 1949 N TRP A 237 42.668 45.641 29.475 1.00 59.47 N ATOM 1950 CA TRP A 237 43.179 44.915 30.634 1.00 53.89 C ATOM 1951 C TRP A 237 44.190 43.852 30.219 1.00 61.14 C ATOM 1952 O TRP A 237 45.184 43.627 30.920 1.00 63.49 O ATOM 1953 CB TRP A 237 42.022 44.289 31.413 1.00 52.03 C ATOM 1954 CG TRP A 237 42.467 43.350 32.493 1.00 65.89 C ATOM 1955 CD1 TRP A 237 42.960 43.686 33.720 1.00 51.89 C ATOM 1956 CD2 TRP A 237 42.462 41.918 32.440 1.00 58.56 C ATOM 1957 NE1 TRP A 237 43.263 42.552 34.435 1.00 59.99 N ATOM 1958 CE2 TRP A 237 42.966 41.454 33.671 1.00 54.61 C ATOM 1959 CE3 TRP A 237 42.081 40.985 31.472 1.00 50.25 C ATOM 1960 CZ2 TRP A 237 43.099 40.097 33.957 1.00 46.88 C ATOM 1961 CZ3 TRP A 237 42.213 39.638 31.759 1.00 45.51 C ATOM 1962 CH2 TRP A 237 42.718 39.208 32.991 1.00 45.28 C ATOM 1963 HE1 TRP A 237 43.654 42.531 35.399 1.00 0.00 H ATOM 1964 H TRP A 237 41.697 45.469 29.144 1.00 0.00 H ATOM 1965 N ILE A 238 43.952 43.184 29.087 1.00 55.06 N ATOM 1966 CA ILE A 238 44.900 42.184 28.600 1.00 51.39 C ATOM 1967 C ILE A 238 46.231 42.838 28.255 1.00 53.77 C ATOM 1968 O ILE A 238 47.302 42.327 28.607 1.00 55.99 O ATOM 1969 CB ILE A 238 44.311 41.427 27.394 1.00 50.15 C ATOM 1970 CG1 ILE A 238 43.107 40.588 27.821 1.00 51.63 C ATOM 1971 CG2 ILE A 238 45.364 40.536 26.753 1.00 50.10 C ATOM 1972 CD1 ILE A 238 42.357 39.966 26.662 1.00 46.98 C ATOM 1973 H ILE A 238 43.084 43.377 28.547 1.00 0.00 H ATOM 1974 N ASP A 239 46.187 43.980 27.564 1.00 55.78 N ATOM 1975 CA ASP A 239 47.418 44.676 27.202 1.00 58.48 C ATOM 1976 C ASP A 239 48.166 45.160 28.438 1.00 59.79 C ATOM 1977 O ASP A 239 49.401 45.138 28.473 1.00 61.34 O ATOM 1978 CB ASP A 239 47.109 45.845 26.268 1.00 68.56 C ATOM 1979 CG ASP A 239 46.720 45.392 24.874 1.00 72.29 C ATOM 1980 OD1 ASP A 239 46.807 44.177 24.596 1.00 68.06 O ATOM 1981 OD2 ASP A 239 46.328 46.251 24.056 1.00 71.14 O ATOM 1982 H ASP A 239 45.268 44.377 27.281 1.00 0.00 H ATOM 1983 N SER A 240 47.436 45.590 29.470 1.00 69.04 N ATOM 1984 CA SER A 240 48.078 46.080 30.685 1.00 70.35 C ATOM 1985 C SER A 240 48.858 44.997 31.417 1.00 67.84 C ATOM 1986 O SER A 240 49.620 45.320 32.335 1.00 76.71 O ATOM 1987 CB SER A 240 47.031 46.687 31.623 1.00 66.11 C ATOM 1988 OG SER A 240 46.114 45.704 32.073 1.00 69.47 O ATOM 1989 HG SER A 240 45.649 45.307 31.294 1.00 0.00 H ATOM 1990 H SER A 240 46.398 45.575 29.407 1.00 0.00 H ATOM 1991 N ILE A 241 48.693 43.733 31.039 1.00 64.29 N ATOM 1992 CA ILE A 241 49.376 42.625 31.683 1.00 59.16 C ATOM 1993 C ILE A 241 50.442 42.018 30.780 1.00 62.52 C ATOM 1994 O ILE A 241 51.553 41.734 31.234 1.00 69.42 O ATOM 1995 CB ILE A 241 48.363 41.555 32.140 1.00 54.20 C ATOM 1996 CG1 ILE A 241 47.383 42.166 33.139 1.00 55.94 C ATOM 1997 CG2 ILE A 241 49.075 40.361 32.751 1.00 52.07 C ATOM 1998 CD1 ILE A 241 46.400 41.181 33.687 1.00 58.22 C ATOM 1999 H ILE A 241 48.048 43.529 30.249 1.00 0.00 H ATOM 2000 N ILE A 242 50.128 41.819 29.495 1.00 64.24 N ATOM 2001 CA ILE A 242 51.045 41.140 28.585 1.00 63.75 C ATOM 2002 C ILE A 242 52.041 42.088 27.929 1.00 72.58 C ATOM 2003 O ILE A 242 52.887 41.634 27.147 1.00 81.96 O ATOM 2004 CB ILE A 242 50.271 40.375 27.491 1.00 58.66 C ATOM 2005 CG1 ILE A 242 49.598 41.353 26.524 1.00 56.11 C ATOM 2006 CG2 ILE A 242 49.244 39.441 28.117 1.00 52.10 C ATOM 2007 CD1 ILE A 242 48.863 40.679 25.384 1.00 54.81 C ATOM 2008 H ILE A 242 49.211 42.155 29.137 1.00 0.00 H ATOM 2009 N GLN A 243 51.972 43.385 28.216 1.00 73.10 N ATOM 2010 CA GLN A 243 52.937 44.334 27.665 1.00 86.92 C ATOM 2011 C GLN A 243 54.000 44.695 28.696 1.00 96.65 C ATOM 2012 O GLN A 243 55.164 44.918 28.359 1.00101.39 O ATOM 2013 CB GLN A 243 52.238 45.601 27.169 1.00 93.10 C ATOM 2014 CG GLN A 243 51.322 45.387 25.975 1.00 93.68 C ATOM 2015 CD GLN A 243 50.660 46.672 25.511 1.00102.81 C ATOM 2016 OE1 GLN A 243 50.871 47.737 26.091 1.00107.94 O ATOM 2017 NE2 GLN A 243 49.859 46.578 24.455 1.00104.47 N ATOM 2018 OXT GLN A 243 53.720 44.774 29.892 1.00100.78 O ATOM 2019 HE22 GLN A 243 49.710 45.657 23.996 1.00 0.00 H ATOM 2020 HE21 GLN A 243 49.381 47.426 24.088 1.00 0.00 H ATOM 2021 H GLN A 243 51.218 43.730 28.844 1.00 0.00 H TER 2022 GLN A 243 HETATM 2023 O HOH 1 35.569 27.101 20.538 1.00 51.63 O HETATM 2024 O HOH 2 49.683 17.465 35.886 1.00 36.43 O HETATM 2025 O HOH 3 30.660 34.321 30.335 1.00 38.44 O HETATM 2026 O HOH 4 48.375 22.600 21.772 1.00 36.53 O HETATM 2027 O HOH 5 26.993 27.213 18.517 1.00 65.55 O HETATM 2028 O HOH 6 44.695 35.290 15.235 1.00 54.37 O HETATM 2029 O HOH 7 31.299 38.740 30.933 1.00 41.46 O HETATM 2030 O HOH 8 39.548 22.548 24.182 1.00 72.96 O HETATM 2031 O HOH 9 54.625 41.272 41.552 1.00 48.10 O HETATM 2032 O HOH 10 56.937 34.486 32.460 1.00 50.85 O HETATM 2033 O HOH 11 34.547 22.774 31.222 1.00 45.37 O HETATM 2034 O HOH 12 23.382 26.005 24.124 1.00 43.85 O HETATM 2035 O HOH 13 36.212 15.154 9.983 1.00 47.40 O HETATM 2036 O HOH 14 40.489 45.144 15.420 1.00 47.60 O HETATM 2037 O HOH 15 37.199 42.796 13.505 1.00 54.07 O HETATM 2038 O HOH 16 58.945 21.448 19.015 1.00 46.60 O HETATM 2039 O HOH 17 45.687 10.253 31.766 1.00 59.53 O HETATM 2040 O HOH 18 24.191 41.900 31.078 1.00 43.69 O HETATM 2041 O HOH 19 15.659 31.101 30.594 1.00 54.77 O HETATM 2042 O HOH 20 54.134 16.152 25.371 1.00 48.18 O HETATM 2043 O HOH 21 31.102 24.292 35.716 1.00 57.24 O HETATM 2044 C11 CQH A 22 41.182 18.853 41.005 1.00 0.23 C HETATM 2045 C13 CQH A 22 40.055 19.446 41.850 1.00 0.14 C HETATM 2046 C14 CQH A 22 38.740 19.457 41.073 1.00 -0.01 C HETATM 2047 C15 CQH A 22 37.529 19.697 41.965 1.00 -0.04 C HETATM 2048 C16 CQH A 22 37.217 18.457 42.806 1.00 -0.06 C HETATM 2049 H16 CQH A 22 36.340 18.655 43.440 1.00 0.02 H HETATM 2050 H17 CQH A 22 38.083 18.218 43.441 1.00 0.02 H HETATM 2051 H18 CQH A 22 37.004 17.607 42.141 1.00 0.02 H HETATM 2052 C17 CQH A 22 36.314 20.113 41.138 1.00 -0.06 C HETATM 2053 H19 CQH A 22 36.563 21.004 40.544 1.00 0.02 H HETATM 2054 H20 CQH A 22 35.474 20.343 41.810 1.00 0.02 H HETATM 2055 H21 CQH A 22 36.030 19.291 40.465 1.00 0.02 H HETATM 2056 H15 CQH A 22 37.771 20.522 42.652 1.00 0.03 H HETATM 2057 H13 CQH A 22 38.620 18.485 40.572 1.00 0.03 H HETATM 2058 H14 CQH A 22 38.784 20.256 40.318 1.00 0.03 H HETATM 2059 N18 CQH A 22 40.369 20.793 42.295 1.00 -0.27 N HETATM 2060 C19 CQH A 22 41.399 20.978 43.301 1.00 0.20 C HETATM 2061 C21 CQH A 22 41.753 22.376 43.820 1.00 0.04 C HETATM 2062 C22 CQH A 22 42.969 22.582 44.448 1.00 -0.05 C HETATM 2063 C23 CQH A 22 43.301 23.840 44.932 1.00 -0.06 C HETATM 2064 C24 CQH A 22 42.418 24.899 44.797 1.00 -0.03 C HETATM 2065 C25 CQH A 22 42.827 26.270 45.348 1.00 0.01 C HETATM 2066 C26 CQH A 22 41.983 27.414 44.782 1.00 0.04 C HETATM 2067 C31 CQH A 22 42.100 28.045 43.347 1.00 0.17 C HETATM 2068 N30 CQH A 22 40.976 29.260 43.217 1.00 -0.24 N HETATM 2069 C28 CQH A 22 40.200 29.367 44.547 1.00 0.25 C HETATM 2070 O29 CQH A 22 39.328 30.134 44.788 1.00 -0.38 O HETATM 2071 S27 CQH A 22 40.803 28.215 45.582 1.00 0.00 S HETATM 2072 H31 CQH A 22 40.826 29.830 42.409 1.00 0.19 H HETATM 2073 O32 CQH A 22 42.994 27.647 42.347 1.00 -0.36 O HETATM 2074 H32 CQH A 22 43.531 26.933 42.670 1.00 0.22 H HETATM 2075 H26 CQH A 22 42.866 28.755 43.693 1.00 0.10 H HETATM 2076 H24 CQH A 22 43.881 26.451 45.092 1.00 0.06 H HETATM 2077 H25 CQH A 22 42.713 26.257 46.442 1.00 0.06 H HETATM 2078 C33 CQH A 22 41.195 24.697 44.171 1.00 -0.06 C HETATM 2079 C34 CQH A 22 40.865 23.436 43.686 1.00 -0.05 C HETATM 2080 H28 CQH A 22 39.909 23.279 43.200 1.00 0.06 H HETATM 2081 H27 CQH A 22 40.499 25.521 44.061 1.00 0.06 H HETATM 2082 H23 CQH A 22 44.257 23.995 45.419 1.00 0.06 H HETATM 2083 H22 CQH A 22 43.664 21.758 44.562 1.00 0.06 H HETATM 2084 O20 CQH A 22 41.965 20.027 43.723 1.00 -0.39 O HETATM 2085 H30 CQH A 22 39.883 21.580 41.914 1.00 0.19 H HETATM 2086 H9 CQH A 22 39.927 18.811 42.739 1.00 0.08 H HETATM 2087 N10 CQH A 22 41.370 17.411 41.020 1.00 -0.23 N HETATM 2088 C09 CQH A 22 42.415 16.783 40.230 1.00 0.07 C HETATM 2089 C04 CQH A 22 42.047 15.955 39.181 1.00 -0.02 C HETATM 2090 C03 CQH A 22 40.560 15.745 38.889 1.00 -0.02 C HETATM 2091 C02 CQH A 22 40.039 16.762 37.874 1.00 -0.05 C HETATM 2092 C01 CQH A 22 38.557 17.078 38.068 1.00 -0.06 C HETATM 2093 H10 CQH A 22 38.237 17.812 37.314 1.00 0.02 H HETATM 2094 H11 CQH A 22 38.399 17.494 39.074 1.00 0.02 H HETATM 2095 H12 CQH A 22 37.968 16.156 37.956 1.00 0.02 H HETATM 2096 H1 CQH A 22 40.183 16.356 36.862 1.00 0.03 H HETATM 2097 H2 CQH A 22 40.615 17.693 37.981 1.00 0.03 H HETATM 2098 H3 CQH A 22 40.414 14.732 38.486 1.00 0.04 H HETATM 2099 H4 CQH A 22 39.993 15.852 39.826 1.00 0.04 H HETATM 2100 C05 CQH A 22 43.017 15.344 38.404 1.00 -0.07 C HETATM 2101 C06 CQH A 22 44.359 15.556 38.689 1.00 -0.08 C HETATM 2102 C07 CQH A 22 44.726 16.381 39.744 1.00 -0.08 C HETATM 2103 C08 CQH A 22 43.753 16.998 40.517 1.00 -0.05 C HETATM 2104 H8 CQH A 22 44.038 17.644 41.340 1.00 0.05 H HETATM 2105 H7 CQH A 22 45.775 16.543 39.964 1.00 0.05 H HETATM 2106 H6 CQH A 22 45.122 15.076 38.087 1.00 0.05 H HETATM 2107 H5 CQH A 22 42.730 14.704 37.578 1.00 0.05 H HETATM 2108 H29 CQH A 22 40.770 16.843 41.583 1.00 0.22 H HETATM 2109 O12 CQH A 22 41.883 19.551 40.351 1.00 -0.38 O CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 256 255 385 CONECT 385 256 384 CONECT 1154 1153 1674 CONECT 1425 1424 1493 CONECT 1493 1425 1492 CONECT 1596 1595 1801 CONECT 1674 1154 1673 CONECT 1801 1596 1800 CONECT 2044 2045 2087 2109 CONECT 2045 2044 2046 2059 2086 CONECT 2046 2045 2047 2057 2058 CONECT 2047 2046 2048 2052 2056 CONECT 2048 2047 2049 2050 2051 CONECT 2049 2048 CONECT 2050 2048 CONECT 2051 2048 CONECT 2052 2047 2053 2054 2055 CONECT 2053 2052 CONECT 2054 2052 CONECT 2055 2052 CONECT 2056 2047 CONECT 2057 2046 CONECT 2058 2046 CONECT 2059 2045 2060 2085 CONECT 2060 2059 2061 2084 CONECT 2061 2060 2062 2079 CONECT 2062 2061 2063 2083 CONECT 2063 2062 2064 2082 CONECT 2064 2063 2065 2078 CONECT 2065 2064 2066 2076 2077 CONECT 2066 2065 2067 2071 CONECT 2067 2066 2068 2073 2075 CONECT 2068 2067 2069 2072 CONECT 2069 2068 2070 2071 CONECT 2070 2069 CONECT 2071 2066 2069 CONECT 2072 2068 CONECT 2073 2067 2074 CONECT 2074 2073 CONECT 2075 2067 CONECT 2076 2065 CONECT 2077 2065 CONECT 2078 2064 2079 2081 CONECT 2079 2061 2078 2080 CONECT 2080 2079 CONECT 2081 2078 CONECT 2082 2063 CONECT 2083 2062 CONECT 2084 2060 CONECT 2085 2059 CONECT 2086 2045 CONECT 2087 2044 2088 2108 CONECT 2088 2087 2089 2103 CONECT 2089 2088 2090 2100 CONECT 2090 2089 2091 2098 2099 CONECT 2091 2090 2092 2096 2097 CONECT 2092 2091 2093 2094 2095 CONECT 2093 2092 CONECT 2094 2092 CONECT 2095 2092 CONECT 2096 2091 CONECT 2097 2091 CONECT 2098 2090 CONECT 2099 2090 CONECT 2100 2089 2101 2107 CONECT 2101 2100 2102 2106 CONECT 2102 2101 2103 2105 CONECT 2103 2088 2102 2104 CONECT 2104 2103 CONECT 2105 2102 CONECT 2106 2101 CONECT 2107 2100 CONECT 2108 2087 CONECT 2109 2044 MASTER 0 0 0 0 0 0 0 0 2108 1 78 17 END
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Structure:
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Related entries of code: 6f5m
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
218aa, >5A09_1|Chain... at 99%
5a0a
RCSB PDB
PDBbind
218aa, >5A0A_1|Chain... at 99%
5a0b
RCSB PDB
PDBbind
218aa, >5A0B_1|Chain... at 99%
5a0c
RCSB PDB
PDBbind
218aa, >5A0C_1|Chains... at 99%
5a8x
RCSB PDB
PDBbind
218aa, >5A8X_1|Chain... at 99%
5a8y
RCSB PDB
PDBbind
218aa, >5A8Y_1|Chain... at 99%
5a8z
RCSB PDB
PDBbind
218aa, >5A8Z_1|Chain... at 99%
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PDBbind
218aa, >5ABW_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6f5m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human leukocyte elastase
Ligand Name
CQH
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
IC50=0.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acta Crystallogr F Struct Biol Commun Vol. 74: pp. 480-489
Ligand Properties
Formula
C
2
6
H
3
3
N
3
O
4
S
Molecular Weight
483.623
Exact Mass
483.219
No. of atoms
67
No. of bonds
69
Polar Surface Area
132.83
LOGP Value
5.00 (
Computed with XLOGP3
)
4.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CCCc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(cc1)C[C@H]1SC(=O)N[C@@H]1O)CC(C)C
InChI String
InChI=1S/C26H33N3O4S/c1-4-7-18-8-5-6-9-20(18)27-24(31)21(14-16(2)3)28-23(30)19-12-10-17(11-13-19)15-22-25(32)29-26(33)34-22/h5-6,8-13,16,21-22,25,32H,4,7,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,29,33)/t21-,22+,25+/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):
P08246
Entrez Gene ID
NCBI Entrez Gene ID:
1991
ASD
Information of known allosteric effects of PDB entries
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