Browse entries in the PDBbind-CN Database
HEADER 6BIC_COMPLEX COMPND 6BIC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 35 HIS ALA PRO PRO THR LEU TRP SER ARG VAL THR LYS PHE SEQRES 2 A 35 GLY SER GLY TRP GLY PHE TRP VAL SER PRO THR VAL PHE SEQRES 3 A 35 ILE THR THR THR HIS VAL VAL PRO THR SEQRES 1 A 85 GLU PHE PHE GLY GLU PRO LEU SER SER ILE ALA ILE HIS SEQRES 2 A 85 GLN ALA GLY GLU PHE THR GLN PHE ARG PHE SER LYS LYS SEQRES 3 A 85 MET ARG PRO ASP LEU THR GLY MET VAL LEU GLU GLU GLY SEQRES 4 A 85 CYS PRO GLU GLY THR VAL CYS SER VAL LEU ILE LYS ARG SEQRES 5 A 85 ASP SER GLY GLU LEU LEU PRO LEU ALA VAL ARG MET GLY SEQRES 6 A 85 ALA ILE ALA SER MET ARG ILE GLN GLY ARG LEU VAL HIS SEQRES 7 A 85 GLY GLN SER GLY MET LEU LEU SEQRES 1 A 17 ASP LEU GLY THR ILE PRO GLY ASP CYS GLY ALA PRO TYR SEQRES 2 A 17 VAL HIS LYS ARG SEQRES 1 A 25 ASN ASP TRP VAL VAL CYS GLY VAL HIS ALA ALA ALA THR SEQRES 2 A 25 LYS SER GLY ASN THR VAL VAL CYS ALA VAL GLN ALA HET MOL A 185 79 ATOM 1 N HIS A 0 46.013 54.889 15.879 1.00 51.79 N ATOM 2 CA HIS A 0 45.910 56.225 16.534 1.00 40.11 C ATOM 3 C HIS A 0 47.229 56.975 16.395 1.00 39.61 C ATOM 4 O HIS A 0 48.283 56.475 16.782 1.00 45.68 O ATOM 5 CB HIS A 0 45.530 56.072 18.009 1.00 44.07 C ATOM 6 HN3 HIS A 0 46.770 54.339 16.333 1.00 0.00 H ATOM 7 HN2 HIS A 0 46.232 55.015 14.870 1.00 0.00 H ATOM 8 HN1 HIS A 0 45.109 54.385 15.979 1.00 0.00 H ATOM 9 N ALA A 1 47.169 58.174 15.832 1.00 41.54 N ATOM 10 CA ALA A 1 48.382 58.962 15.643 1.00 40.44 C ATOM 11 C ALA A 1 48.711 59.746 16.913 1.00 42.87 C ATOM 12 O ALA A 1 47.832 60.428 17.456 1.00 40.09 O ATOM 13 CB ALA A 1 48.215 59.917 14.473 1.00 35.51 C ATOM 14 H ALA A 1 46.252 58.555 15.523 1.00 0.00 H ATOM 15 N PRO A 2 49.951 59.700 17.398 1.00 36.34 N ATOM 16 CA PRO A 2 50.285 60.361 18.658 1.00 38.84 C ATOM 17 C PRO A 2 50.683 61.813 18.455 1.00 38.38 C ATOM 18 O PRO A 2 51.076 62.210 17.348 1.00 38.42 O ATOM 19 CB PRO A 2 51.467 59.531 19.179 1.00 35.52 C ATOM 20 CG PRO A 2 52.128 59.052 17.977 1.00 37.45 C ATOM 21 CD PRO A 2 51.047 58.826 16.946 1.00 41.10 C ATOM 22 N PRO A 3 50.637 62.629 19.521 1.00 38.22 N ATOM 23 CA PRO A 3 50.915 64.066 19.362 1.00 28.86 C ATOM 24 C PRO A 3 52.200 64.360 18.618 1.00 24.54 C ATOM 25 O PRO A 3 52.221 65.258 17.770 1.00 27.05 O ATOM 26 CB PRO A 3 50.978 64.574 20.820 1.00 30.89 C ATOM 27 CG PRO A 3 50.146 63.614 21.596 1.00 32.80 C ATOM 28 CD PRO A 3 50.367 62.273 20.929 1.00 34.85 C ATOM 29 N THR A 4 53.283 63.640 18.913 1.00 29.48 N ATOM 30 CA THR A 4 54.540 63.930 18.238 1.00 29.76 C ATOM 31 C THR A 4 54.378 63.781 16.733 1.00 27.08 C ATOM 32 O THR A 4 54.923 64.577 15.964 1.00 28.59 O ATOM 33 CB THR A 4 55.660 63.024 18.757 1.00 25.36 C ATOM 34 OG1 THR A 4 55.714 63.088 20.186 1.00 43.52 O ATOM 35 CG2 THR A 4 56.987 63.480 18.235 1.00 33.93 C ATOM 36 HG1 THR A 4 54.849 62.787 20.562 1.00 0.00 H ATOM 37 H THR A 4 53.230 62.878 19.619 1.00 0.00 H ATOM 38 N LEU A 5 53.603 62.785 16.298 1.00 29.87 N ATOM 39 CA LEU A 5 53.355 62.615 14.869 1.00 32.97 C ATOM 40 C LEU A 5 52.580 63.802 14.308 1.00 27.07 C ATOM 41 O LEU A 5 52.990 64.419 13.318 1.00 27.47 O ATOM 42 CB LEU A 5 52.602 61.304 14.616 1.00 34.97 C ATOM 43 CG LEU A 5 52.196 61.013 13.157 1.00 44.25 C ATOM 44 CD1 LEU A 5 53.299 61.346 12.187 1.00 29.29 C ATOM 45 CD2 LEU A 5 51.813 59.563 12.981 1.00 41.91 C ATOM 46 H LEU A 5 53.174 62.127 16.980 1.00 0.00 H ATOM 47 N TRP A 6 51.454 64.138 14.940 1.00 34.37 N ATOM 48 CA TRP A 6 50.693 65.322 14.555 1.00 29.04 C ATOM 49 C TRP A 6 51.578 66.553 14.464 1.00 25.01 C ATOM 50 O TRP A 6 51.349 67.425 13.620 1.00 19.67 O ATOM 51 CB TRP A 6 49.577 65.584 15.568 1.00 25.93 C ATOM 52 CG TRP A 6 48.385 64.707 15.411 1.00 27.85 C ATOM 53 CD1 TRP A 6 47.970 63.717 16.261 1.00 34.30 C ATOM 54 CD2 TRP A 6 47.429 64.751 14.349 1.00 25.06 C ATOM 55 NE1 TRP A 6 46.816 63.138 15.786 1.00 31.09 N ATOM 56 CE2 TRP A 6 46.463 63.755 14.612 1.00 31.39 C ATOM 57 CE3 TRP A 6 47.296 65.532 13.195 1.00 31.77 C ATOM 58 CZ2 TRP A 6 45.375 63.523 13.763 1.00 31.04 C ATOM 59 CZ3 TRP A 6 46.214 65.286 12.342 1.00 30.48 C ATOM 60 CH2 TRP A 6 45.273 64.297 12.641 1.00 26.33 C ATOM 61 HE1 TRP A 6 46.297 62.361 16.242 1.00 0.00 H ATOM 62 H TRP A 6 51.112 63.544 15.722 1.00 0.00 H ATOM 63 N SER A 7 52.567 66.665 15.360 1.00 22.36 N ATOM 64 CA SER A 7 53.406 67.857 15.426 1.00 21.55 C ATOM 65 C SER A 7 54.341 67.966 14.232 1.00 19.46 C ATOM 66 O SER A 7 54.957 69.020 14.030 1.00 16.60 O ATOM 67 CB SER A 7 54.226 67.865 16.731 1.00 21.96 C ATOM 68 OG SER A 7 55.558 67.407 16.529 1.00 18.71 O ATOM 69 HG SER A 7 55.538 66.480 16.182 1.00 0.00 H ATOM 70 H SER A 7 52.741 65.884 16.024 1.00 0.00 H ATOM 71 N ARG A 8 54.481 66.898 13.453 1.00 24.87 N ATOM 72 CA ARG A 8 55.207 66.993 12.194 1.00 26.40 C ATOM 73 C ARG A 8 54.424 67.775 11.149 1.00 23.35 C ATOM 74 O ARG A 8 55.031 68.324 10.227 1.00 25.23 O ATOM 75 CB ARG A 8 55.524 65.593 11.674 1.00 25.75 C ATOM 76 CG ARG A 8 56.484 64.784 12.567 1.00 27.06 C ATOM 77 CD ARG A 8 56.399 63.312 12.214 1.00 31.63 C ATOM 78 NE ARG A 8 57.159 62.421 13.090 1.00 28.75 N ATOM 79 CZ ARG A 8 58.455 62.152 12.954 1.00 33.50 C ATOM 80 NH1 ARG A 8 59.171 62.719 11.985 1.00 33.46 N ATOM 81 NH2 ARG A 8 59.036 61.307 13.791 1.00 28.28 N ATOM 82 HE ARG A 8 56.651 61.965 13.875 1.00 0.00 H ATOM 83 HH12 ARG A 8 60.183 62.500 11.890 1.00 0.00 H ATOM 84 HH11 ARG A 8 58.718 63.381 11.323 1.00 0.00 H ATOM 85 HH22 ARG A 8 60.048 61.091 13.692 1.00 0.00 H ATOM 86 HH21 ARG A 8 58.480 60.859 14.547 1.00 0.00 H ATOM 87 H ARG A 8 54.069 65.989 13.745 1.00 0.00 H ATOM 88 N VAL A 9 53.103 67.853 11.277 1.00 19.51 N ATOM 89 CA VAL A 9 52.282 68.564 10.298 1.00 20.38 C ATOM 90 C VAL A 9 52.367 70.060 10.575 1.00 22.46 C ATOM 91 O VAL A 9 51.978 70.527 11.652 1.00 25.30 O ATOM 92 CB VAL A 9 50.827 68.082 10.331 1.00 18.13 C ATOM 93 CG1 VAL A 9 50.045 68.736 9.182 1.00 17.92 C ATOM 94 CG2 VAL A 9 50.754 66.563 10.241 1.00 21.05 C ATOM 95 H VAL A 9 52.643 67.398 12.092 1.00 0.00 H ATOM 96 N THR A 10 52.828 70.818 9.585 1.00 20.96 N ATOM 97 CA THR A 10 53.212 72.212 9.762 1.00 22.61 C ATOM 98 C THR A 10 52.555 73.085 8.702 1.00 24.95 C ATOM 99 O THR A 10 52.644 72.782 7.507 1.00 27.47 O ATOM 100 CB THR A 10 54.729 72.361 9.654 1.00 25.22 C ATOM 101 OG1 THR A 10 55.360 71.404 10.507 1.00 33.73 O ATOM 102 CG2 THR A 10 55.160 73.766 10.025 1.00 24.06 C ATOM 103 HG1 THR A 10 55.096 70.491 10.229 1.00 0.00 H ATOM 104 H THR A 10 52.919 70.396 8.639 1.00 0.00 H ATOM 105 N LYS A 11 51.933 74.180 9.140 1.00 24.79 N ATOM 106 CA LYS A 11 51.426 75.198 8.230 1.00 24.33 C ATOM 107 C LYS A 11 52.520 75.631 7.259 1.00 27.62 C ATOM 108 O LYS A 11 53.644 75.932 7.661 1.00 27.22 O ATOM 109 CB LYS A 11 50.922 76.395 9.039 1.00 23.61 C ATOM 110 CG LYS A 11 50.149 77.438 8.252 1.00 31.99 C ATOM 111 CD LYS A 11 48.636 77.252 8.368 1.00 41.00 C ATOM 112 CE LYS A 11 47.878 77.807 7.141 1.00 41.82 C ATOM 113 NZ LYS A 11 48.022 76.947 5.900 1.00 40.91 N ATOM 114 HZ1 LYS A 11 49.027 76.880 5.641 1.00 0.00 H ATOM 115 HZ2 LYS A 11 47.648 75.996 6.093 1.00 0.00 H ATOM 116 HZ3 LYS A 11 47.489 77.378 5.117 1.00 0.00 H ATOM 117 H LYS A 11 51.806 74.311 10.164 1.00 0.00 H ATOM 118 N PHE A 12 52.202 75.649 5.970 1.00 27.65 N ATOM 119 CA PHE A 12 53.225 75.966 4.981 1.00 26.79 C ATOM 120 C PHE A 12 52.584 76.527 3.724 1.00 31.78 C ATOM 121 O PHE A 12 51.777 75.847 3.083 1.00 29.06 O ATOM 122 CB PHE A 12 54.047 74.733 4.645 1.00 25.81 C ATOM 123 CG PHE A 12 55.245 75.029 3.790 1.00 32.79 C ATOM 124 CD1 PHE A 12 56.346 75.683 4.320 1.00 37.19 C ATOM 125 CD2 PHE A 12 55.272 74.650 2.468 1.00 31.95 C ATOM 126 CE1 PHE A 12 57.445 75.951 3.541 1.00 35.07 C ATOM 127 CE2 PHE A 12 56.367 74.915 1.684 1.00 40.60 C ATOM 128 CZ PHE A 12 57.459 75.565 2.222 1.00 47.24 C ATOM 129 H PHE A 12 51.229 75.438 5.668 1.00 0.00 H ATOM 130 N GLY A 13 52.986 77.743 3.359 1.00 33.78 N ATOM 131 CA GLY A 13 52.449 78.396 2.176 1.00 25.81 C ATOM 132 C GLY A 13 50.943 78.410 2.206 1.00 31.27 C ATOM 133 O GLY A 13 50.322 78.749 3.220 1.00 30.35 O ATOM 134 H GLY A 13 53.700 78.236 3.933 1.00 0.00 H ATOM 135 N SER A 14 50.341 78.030 1.084 1.00 31.12 N ATOM 136 CA SER A 14 48.898 77.890 0.975 1.00 32.49 C ATOM 137 C SER A 14 48.396 76.554 1.506 1.00 31.98 C ATOM 138 O SER A 14 47.211 76.255 1.345 1.00 29.12 O ATOM 139 CB SER A 14 48.461 78.042 -0.484 1.00 32.27 C ATOM 140 OG SER A 14 48.757 76.862 -1.210 1.00 38.23 O ATOM 141 HG SER A 14 48.276 76.097 -0.805 1.00 0.00 H ATOM 142 H SER A 14 50.926 77.824 0.249 1.00 0.00 H ATOM 143 N GLY A 15 49.256 75.735 2.111 1.00 26.01 N ATOM 144 CA GLY A 15 48.797 74.473 2.657 1.00 24.98 C ATOM 145 C GLY A 15 49.591 73.995 3.853 1.00 27.52 C ATOM 146 O GLY A 15 49.779 74.739 4.823 1.00 28.39 O ATOM 147 H GLY A 15 50.258 76.002 2.192 1.00 0.00 H ATOM 148 N TRP A 16 50.057 72.747 3.790 1.00 22.56 N ATOM 149 CA TRP A 16 50.768 72.122 4.886 1.00 21.94 C ATOM 150 C TRP A 16 51.992 71.395 4.352 1.00 28.89 C ATOM 151 O TRP A 16 52.215 71.281 3.137 1.00 24.46 O ATOM 152 CB TRP A 16 49.845 71.172 5.660 1.00 19.54 C ATOM 153 CG TRP A 16 48.608 71.903 6.099 1.00 24.88 C ATOM 154 CD1 TRP A 16 47.485 72.136 5.354 1.00 24.21 C ATOM 155 CD2 TRP A 16 48.390 72.553 7.362 1.00 23.29 C ATOM 156 NE1 TRP A 16 46.579 72.875 6.077 1.00 22.20 N ATOM 157 CE2 TRP A 16 47.111 73.144 7.312 1.00 27.81 C ATOM 158 CE3 TRP A 16 49.147 72.681 8.532 1.00 25.33 C ATOM 159 CZ2 TRP A 16 46.571 73.838 8.390 1.00 25.69 C ATOM 160 CZ3 TRP A 16 48.611 73.377 9.596 1.00 28.11 C ATOM 161 CH2 TRP A 16 47.339 73.947 9.519 1.00 24.29 C ATOM 162 HE1 TRP A 16 45.643 73.180 5.742 1.00 0.00 H ATOM 163 H TRP A 16 49.904 72.201 2.919 1.00 0.00 H ATOM 164 N GLY A 17 52.800 70.934 5.304 1.00 26.84 N ATOM 165 CA GLY A 17 53.941 70.085 5.045 1.00 22.87 C ATOM 166 C GLY A 17 54.175 69.213 6.258 1.00 21.00 C ATOM 167 O GLY A 17 53.531 69.372 7.300 1.00 22.58 O ATOM 168 H GLY A 17 52.599 71.199 6.289 1.00 0.00 H ATOM 169 N PHE A 18 55.117 68.290 6.113 1.00 21.50 N ATOM 170 CA PHE A 18 55.344 67.228 7.083 1.00 22.43 C ATOM 171 C PHE A 18 56.837 67.119 7.347 1.00 30.63 C ATOM 172 O PHE A 18 57.627 66.981 6.405 1.00 25.07 O ATOM 173 CB PHE A 18 54.797 65.913 6.545 1.00 15.86 C ATOM 174 CG PHE A 18 54.848 64.773 7.503 1.00 23.51 C ATOM 175 CD1 PHE A 18 54.015 64.739 8.617 1.00 27.66 C ATOM 176 CD2 PHE A 18 55.703 63.707 7.274 1.00 24.37 C ATOM 177 CE1 PHE A 18 54.048 63.662 9.494 1.00 24.57 C ATOM 178 CE2 PHE A 18 55.750 62.627 8.142 1.00 25.27 C ATOM 179 CZ PHE A 18 54.920 62.603 9.263 1.00 27.45 C ATOM 180 H PHE A 18 55.721 68.327 5.267 1.00 0.00 H ATOM 181 N TRP A 19 57.229 67.176 8.619 1.00 26.51 N ATOM 182 CA TRP A 19 58.636 66.980 8.967 1.00 28.64 C ATOM 183 C TRP A 19 58.903 65.483 9.008 1.00 31.34 C ATOM 184 O TRP A 19 58.443 64.792 9.923 1.00 21.73 O ATOM 185 CB TRP A 19 58.984 67.648 10.292 1.00 25.03 C ATOM 186 CG TRP A 19 59.211 69.110 10.161 1.00 22.49 C ATOM 187 CD1 TRP A 19 58.385 70.105 10.582 1.00 24.07 C ATOM 188 CD2 TRP A 19 60.338 69.751 9.553 1.00 23.76 C ATOM 189 NE1 TRP A 19 58.929 71.332 10.279 1.00 24.61 N ATOM 190 CE2 TRP A 19 60.131 71.141 9.650 1.00 23.20 C ATOM 191 CE3 TRP A 19 61.500 69.285 8.927 1.00 32.69 C ATOM 192 CZ2 TRP A 19 61.041 72.071 9.147 1.00 30.47 C ATOM 193 CZ3 TRP A 19 62.411 70.215 8.431 1.00 28.00 C ATOM 194 CH2 TRP A 19 62.171 71.588 8.536 1.00 24.87 C ATOM 195 HE1 TRP A 19 58.498 72.254 10.493 1.00 0.00 H ATOM 196 H TRP A 19 56.531 67.361 9.368 1.00 0.00 H ATOM 197 N VAL A 20 59.601 64.974 7.982 1.00 28.49 N ATOM 198 CA VAL A 20 59.908 63.546 7.920 1.00 32.98 C ATOM 199 C VAL A 20 60.958 63.189 8.960 1.00 32.12 C ATOM 200 O VAL A 20 60.940 62.100 9.547 1.00 29.61 O ATOM 201 CB VAL A 20 60.390 63.162 6.507 1.00 33.37 C ATOM 202 CG1 VAL A 20 60.886 61.711 6.493 1.00 35.52 C ATOM 203 CG2 VAL A 20 59.286 63.391 5.473 1.00 27.51 C ATOM 204 H VAL A 20 59.928 65.603 7.221 1.00 0.00 H ATOM 205 N SER A 21 61.897 64.082 9.170 1.00 28.96 N ATOM 206 CA SER A 21 63.006 63.888 10.082 1.00 39.28 C ATOM 207 C SER A 21 63.365 65.267 10.620 1.00 32.31 C ATOM 208 O SER A 21 62.701 66.251 10.268 1.00 31.35 O ATOM 209 CB SER A 21 64.190 63.245 9.349 1.00 35.13 C ATOM 210 OG SER A 21 64.863 64.224 8.580 1.00 35.06 O ATOM 211 HG SER A 21 65.626 63.805 8.109 1.00 0.00 H ATOM 212 H SER A 21 61.842 64.982 8.651 1.00 0.00 H ATOM 213 N PRO A 22 64.404 65.388 11.450 1.00 34.65 N ATOM 214 CA PRO A 22 64.839 66.725 11.891 1.00 31.69 C ATOM 215 C PRO A 22 65.275 67.646 10.763 1.00 32.06 C ATOM 216 O PRO A 22 65.294 68.869 10.959 1.00 35.31 O ATOM 217 CB PRO A 22 66.002 66.412 12.841 1.00 31.15 C ATOM 218 CG PRO A 22 65.645 65.063 13.405 1.00 32.56 C ATOM 219 CD PRO A 22 64.992 64.314 12.271 1.00 32.15 C ATOM 220 N THR A 23 65.636 67.108 9.597 1.00 31.56 N ATOM 221 CA THR A 23 66.135 67.914 8.486 1.00 36.82 C ATOM 222 C THR A 23 65.270 67.870 7.230 1.00 35.65 C ATOM 223 O THR A 23 65.440 68.731 6.359 1.00 44.13 O ATOM 224 CB THR A 23 67.553 67.461 8.099 1.00 40.25 C ATOM 225 OG1 THR A 23 67.637 66.027 8.186 1.00 46.25 O ATOM 226 CG2 THR A 23 68.597 68.100 9.020 1.00 45.16 C ATOM 227 HG1 THR A 23 68.550 65.735 7.937 1.00 0.00 H ATOM 228 H THR A 23 65.559 66.078 9.475 1.00 0.00 H ATOM 229 N VAL A 24 64.359 66.911 7.108 1.00 36.70 N ATOM 230 CA VAL A 24 63.633 66.667 5.865 1.00 38.51 C ATOM 231 C VAL A 24 62.172 67.082 6.033 1.00 31.31 C ATOM 232 O VAL A 24 61.450 66.535 6.878 1.00 33.43 O ATOM 233 CB VAL A 24 63.736 65.198 5.440 1.00 37.56 C ATOM 234 CG1 VAL A 24 63.058 64.987 4.074 1.00 35.45 C ATOM 235 CG2 VAL A 24 65.206 64.772 5.408 1.00 45.99 C ATOM 236 H VAL A 24 64.155 66.309 7.931 1.00 0.00 H ATOM 237 N PHE A 25 61.737 68.011 5.187 1.00 33.52 N ATOM 238 CA PHE A 25 60.370 68.515 5.129 1.00 30.94 C ATOM 239 C PHE A 25 59.804 68.232 3.737 1.00 38.68 C ATOM 240 O PHE A 25 60.461 68.533 2.739 1.00 29.72 O ATOM 241 CB PHE A 25 60.400 70.014 5.421 1.00 33.37 C ATOM 242 CG PHE A 25 59.057 70.655 5.579 1.00 32.50 C ATOM 243 CD1 PHE A 25 58.407 70.644 6.802 1.00 30.50 C ATOM 244 CD2 PHE A 25 58.475 71.331 4.518 1.00 29.47 C ATOM 245 CE1 PHE A 25 57.190 71.265 6.952 1.00 28.06 C ATOM 246 CE2 PHE A 25 57.266 71.955 4.663 1.00 33.01 C ATOM 247 CZ PHE A 25 56.619 71.929 5.879 1.00 25.29 C ATOM 248 H PHE A 25 62.424 68.409 4.515 1.00 0.00 H ATOM 249 N ILE A 26 58.596 67.651 3.665 1.00 31.83 N ATOM 250 CA ILE A 26 57.958 67.332 2.390 1.00 30.34 C ATOM 251 C ILE A 26 56.604 68.020 2.305 1.00 31.03 C ATOM 252 O ILE A 26 55.921 68.206 3.317 1.00 24.60 O ATOM 253 CB ILE A 26 57.777 65.814 2.172 1.00 31.27 C ATOM 254 CG1 ILE A 26 56.843 65.232 3.230 1.00 24.40 C ATOM 255 CG2 ILE A 26 59.122 65.109 2.186 1.00 36.20 C ATOM 256 CD1 ILE A 26 56.447 63.822 2.973 1.00 23.53 C ATOM 257 H ILE A 26 58.097 67.420 4.548 1.00 0.00 H ATOM 258 N THR A 27 56.194 68.354 1.075 1.00 30.73 N ATOM 259 CA THR A 27 54.951 69.085 0.835 1.00 26.27 C ATOM 260 C THR A 27 54.529 68.915 -0.628 1.00 34.51 C ATOM 261 O THR A 27 55.222 68.285 -1.434 1.00 31.48 O ATOM 262 CB THR A 27 55.130 70.564 1.192 1.00 26.41 C ATOM 263 OG1 THR A 27 53.896 71.270 1.024 1.00 25.73 O ATOM 264 CG2 THR A 27 56.191 71.189 0.311 1.00 36.79 C ATOM 265 HG1 THR A 27 53.208 70.875 1.617 1.00 0.00 H ATOM 266 H THR A 27 56.781 68.083 0.260 1.00 0.00 H ATOM 267 N THR A 28 53.376 69.493 -0.968 1.00 27.87 N ATOM 268 CA THR A 28 52.870 69.468 -2.329 1.00 25.34 C ATOM 269 C THR A 28 53.393 70.692 -3.065 1.00 29.72 C ATOM 270 O THR A 28 53.367 71.807 -2.531 1.00 28.98 O ATOM 271 CB THR A 28 51.342 69.440 -2.347 1.00 26.03 C ATOM 272 OG1 THR A 28 50.886 68.258 -1.690 1.00 19.44 O ATOM 273 CG2 THR A 28 50.816 69.419 -3.761 1.00 29.50 C ATOM 274 HG1 THR A 28 49.896 68.237 -1.700 1.00 0.00 H ATOM 275 H THR A 28 52.821 69.978 -0.234 1.00 0.00 H ATOM 276 N THR A 29 53.873 70.482 -4.290 1.00 22.80 N ATOM 277 CA THR A 29 54.581 71.554 -4.988 1.00 31.00 C ATOM 278 C THR A 29 53.727 72.807 -5.126 1.00 31.58 C ATOM 279 O THR A 29 54.238 73.925 -5.005 1.00 34.23 O ATOM 280 CB THR A 29 55.041 71.092 -6.370 1.00 28.83 C ATOM 281 OG1 THR A 29 55.835 69.903 -6.245 1.00 29.83 O ATOM 282 CG2 THR A 29 55.877 72.169 -7.019 1.00 28.96 C ATOM 283 HG1 THR A 29 56.627 70.094 -5.682 1.00 0.00 H ATOM 284 H THR A 29 53.744 69.558 -4.749 1.00 0.00 H ATOM 285 N HIS A 30 52.434 72.659 -5.397 1.00 30.46 N ATOM 286 CA HIS A 30 51.646 73.853 -5.680 1.00 30.07 C ATOM 287 C HIS A 30 51.220 74.638 -4.428 1.00 30.19 C ATOM 288 O HIS A 30 50.548 75.664 -4.576 1.00 31.60 O ATOM 289 CB HIS A 30 50.429 73.481 -6.533 1.00 29.38 C ATOM 290 CG HIS A 30 49.317 72.816 -5.783 1.00 29.51 C ATOM 291 ND1 HIS A 30 49.116 71.452 -5.804 1.00 27.84 N ATOM 292 CD2 HIS A 30 48.325 73.329 -5.020 1.00 31.93 C ATOM 293 CE1 HIS A 30 48.055 71.152 -5.080 1.00 24.13 C ATOM 294 NE2 HIS A 30 47.559 72.274 -4.587 1.00 36.32 N ATOM 295 H HIS A 30 51.996 71.716 -5.407 1.00 0.00 H ATOM 296 N VAL A 31 51.615 74.240 -3.213 1.00 35.75 N ATOM 297 CA VAL A 31 51.392 75.102 -2.049 1.00 34.37 C ATOM 298 C VAL A 31 52.634 75.913 -1.696 1.00 34.07 C ATOM 299 O VAL A 31 52.522 76.894 -0.946 1.00 38.83 O ATOM 300 CB VAL A 31 50.911 74.321 -0.802 1.00 26.92 C ATOM 301 CG1 VAL A 31 49.784 73.404 -1.163 1.00 28.09 C ATOM 302 CG2 VAL A 31 52.043 73.563 -0.123 1.00 29.40 C ATOM 303 H VAL A 31 52.081 73.318 -3.095 1.00 0.00 H ATOM 304 N VAL A 32 53.801 75.549 -2.218 1.00 37.77 N ATOM 305 CA VAL A 32 55.022 76.294 -1.894 1.00 40.77 C ATOM 306 C VAL A 32 54.854 77.736 -2.352 1.00 47.01 C ATOM 307 O VAL A 32 54.444 77.972 -3.505 1.00 42.36 O ATOM 308 CB VAL A 32 56.243 75.648 -2.569 1.00 43.77 C ATOM 309 CG1 VAL A 32 57.516 76.407 -2.197 1.00 39.39 C ATOM 310 CG2 VAL A 32 56.348 74.175 -2.181 1.00 41.36 C ATOM 311 H VAL A 32 53.848 74.732 -2.859 1.00 0.00 H ATOM 312 N PRO A 33 55.150 78.735 -1.526 1.00 53.26 N ATOM 313 CA PRO A 33 55.051 80.122 -1.990 1.00 51.04 C ATOM 314 C PRO A 33 56.293 80.554 -2.756 1.00 55.75 C ATOM 315 O PRO A 33 57.361 79.948 -2.661 1.00 55.65 O ATOM 316 CB PRO A 33 54.889 80.928 -0.693 1.00 56.26 C ATOM 317 CG PRO A 33 55.397 80.038 0.416 1.00 45.17 C ATOM 318 CD PRO A 33 55.633 78.653 -0.135 1.00 53.91 C ATOM 319 N THR A 34 56.127 81.625 -3.530 1.00 63.71 N ATOM 320 CA THR A 34 57.226 82.208 -4.302 1.00 61.17 C ATOM 321 C THR A 34 57.269 83.722 -4.121 1.00 57.26 C ATOM 322 O THR A 34 58.223 84.263 -3.556 1.00 63.30 O ATOM 323 CB THR A 34 57.110 81.883 -5.811 1.00 63.96 C ATOM 324 OG1 THR A 34 55.737 81.926 -6.224 1.00 52.91 O ATOM 325 CG2 THR A 34 57.690 80.515 -6.105 1.00 57.09 C ATOM 326 HG1 THR A 34 55.217 81.260 -5.708 1.00 0.00 H ATOM 327 H THR A 34 55.185 82.062 -3.588 1.00 0.00 H TER 328 THR A 34 ATOM 329 N GLU A 38 63.042 82.601 1.541 1.00 61.47 N ATOM 330 CA GLU A 38 63.320 82.082 2.875 1.00 69.66 C ATOM 331 C GLU A 38 62.332 80.977 3.265 1.00 66.82 C ATOM 332 O GLU A 38 61.141 81.077 2.983 1.00 67.93 O ATOM 333 CB GLU A 38 63.270 83.212 3.906 1.00 74.89 C ATOM 334 HN3 GLU A 38 62.080 82.995 1.517 1.00 0.00 H ATOM 335 HN2 GLU A 38 63.119 81.830 0.847 1.00 0.00 H ATOM 336 HN1 GLU A 38 63.729 83.347 1.310 1.00 0.00 H ATOM 337 N PHE A 39 62.838 79.927 3.914 1.00 68.86 N ATOM 338 CA PHE A 39 62.019 78.822 4.409 1.00 63.42 C ATOM 339 C PHE A 39 62.418 78.541 5.849 1.00 56.39 C ATOM 340 O PHE A 39 63.526 78.062 6.103 1.00 53.63 O ATOM 341 CB PHE A 39 62.197 77.563 3.553 1.00 57.89 C ATOM 342 CG PHE A 39 61.455 77.592 2.241 1.00 61.75 C ATOM 343 CD1 PHE A 39 60.189 78.147 2.148 1.00 62.31 C ATOM 344 CD2 PHE A 39 62.029 77.051 1.097 1.00 61.39 C ATOM 345 CE1 PHE A 39 59.515 78.170 0.939 1.00 62.45 C ATOM 346 CE2 PHE A 39 61.361 77.074 -0.114 1.00 56.04 C ATOM 347 CZ PHE A 39 60.104 77.630 -0.193 1.00 59.44 C ATOM 348 H PHE A 39 63.865 79.893 4.076 1.00 0.00 H ATOM 349 N PHE A 40 61.510 78.814 6.784 1.00 61.53 N ATOM 350 CA PHE A 40 61.767 78.612 8.209 1.00 52.50 C ATOM 351 C PHE A 40 63.059 79.306 8.626 1.00 53.71 C ATOM 352 O PHE A 40 63.915 78.726 9.297 1.00 61.20 O ATOM 353 CB PHE A 40 61.832 77.125 8.559 1.00 48.30 C ATOM 354 CG PHE A 40 60.625 76.340 8.141 1.00 49.49 C ATOM 355 CD1 PHE A 40 59.372 76.637 8.653 1.00 44.20 C ATOM 356 CD2 PHE A 40 60.748 75.281 7.253 1.00 44.34 C ATOM 357 CE1 PHE A 40 58.259 75.909 8.266 1.00 36.75 C ATOM 358 CE2 PHE A 40 59.649 74.547 6.876 1.00 37.22 C ATOM 359 CZ PHE A 40 58.397 74.861 7.389 1.00 28.84 C ATOM 360 H PHE A 40 60.584 79.185 6.490 1.00 0.00 H ATOM 361 N GLY A 41 63.207 80.559 8.207 1.00 52.37 N ATOM 362 CA GLY A 41 64.406 81.312 8.522 1.00 65.56 C ATOM 363 C GLY A 41 65.670 80.673 7.978 1.00 72.76 C ATOM 364 O GLY A 41 66.653 80.491 8.706 1.00 69.11 O ATOM 365 H GLY A 41 62.453 81.005 7.646 1.00 0.00 H ATOM 366 N GLU A 42 65.645 80.314 6.694 1.00 63.65 N ATOM 367 CA GLU A 42 66.825 79.828 5.990 1.00 66.44 C ATOM 368 C GLU A 42 66.817 80.436 4.594 1.00 69.90 C ATOM 369 O GLU A 42 65.817 80.299 3.879 1.00 57.81 O ATOM 370 CB GLU A 42 66.845 78.298 5.902 1.00 64.98 C ATOM 371 CG GLU A 42 66.995 77.583 7.245 1.00 67.86 C ATOM 372 CD GLU A 42 68.385 76.995 7.460 1.00 71.24 C ATOM 373 OE1 GLU A 42 68.930 76.369 6.520 1.00 65.47 O ATOM 374 OE2 GLU A 42 68.931 77.161 8.575 1.00 66.98 O ATOM 375 H GLU A 42 64.747 80.384 6.174 1.00 0.00 H ATOM 376 N PRO A 43 67.876 81.130 4.171 1.00 76.03 N ATOM 377 CA PRO A 43 67.929 81.578 2.775 1.00 68.05 C ATOM 378 C PRO A 43 67.867 80.386 1.836 1.00 66.14 C ATOM 379 O PRO A 43 68.258 79.270 2.183 1.00 63.39 O ATOM 380 CB PRO A 43 69.270 82.316 2.676 1.00 75.58 C ATOM 381 CG PRO A 43 70.050 81.891 3.870 1.00 73.35 C ATOM 382 CD PRO A 43 69.056 81.575 4.934 1.00 68.93 C ATOM 383 N LEU A 44 67.377 80.645 0.624 1.00 68.33 N ATOM 384 CA LEU A 44 67.061 79.562 -0.302 1.00 73.53 C ATOM 385 C LEU A 44 68.300 78.741 -0.653 1.00 70.61 C ATOM 386 O LEU A 44 68.192 77.544 -0.949 1.00 70.42 O ATOM 387 CB LEU A 44 66.402 80.140 -1.559 1.00 66.96 C ATOM 388 CG LEU A 44 65.070 80.881 -1.327 1.00 71.40 C ATOM 389 CD1 LEU A 44 65.226 82.346 -0.885 1.00 62.73 C ATOM 390 CD2 LEU A 44 64.209 80.815 -2.573 1.00 67.61 C ATOM 391 H LEU A 44 67.218 81.631 0.334 1.00 0.00 H ATOM 392 N SER A 45 69.484 79.354 -0.597 1.00 72.72 N ATOM 393 CA SER A 45 70.730 78.651 -0.883 1.00 71.99 C ATOM 394 C SER A 45 71.070 77.584 0.150 1.00 68.88 C ATOM 395 O SER A 45 72.006 76.808 -0.077 1.00 68.27 O ATOM 396 CB SER A 45 71.885 79.652 -0.961 1.00 71.94 C ATOM 397 OG SER A 45 71.418 80.948 -1.294 1.00 74.10 O ATOM 398 HG SER A 45 72.185 81.573 -1.337 1.00 0.00 H ATOM 399 H SER A 45 69.520 80.362 -0.342 1.00 0.00 H ATOM 400 N SER A 46 70.344 77.521 1.269 1.00 63.63 N ATOM 401 CA SER A 46 70.698 76.606 2.347 1.00 61.84 C ATOM 402 C SER A 46 70.182 75.195 2.120 1.00 57.54 C ATOM 403 O SER A 46 70.667 74.259 2.765 1.00 54.49 O ATOM 404 CB SER A 46 70.144 77.124 3.677 1.00 67.70 C ATOM 405 OG SER A 46 70.374 78.515 3.832 1.00 61.68 O ATOM 406 HG SER A 46 69.930 79.006 3.096 1.00 0.00 H ATOM 407 H SER A 46 69.511 78.136 1.373 1.00 0.00 H ATOM 408 N ILE A 47 69.240 75.014 1.203 1.00 65.70 N ATOM 409 CA ILE A 47 68.385 73.836 1.184 1.00 63.56 C ATOM 410 C ILE A 47 68.643 73.042 -0.090 1.00 55.88 C ATOM 411 O ILE A 47 68.919 73.620 -1.146 1.00 53.37 O ATOM 412 CB ILE A 47 66.901 74.248 1.288 1.00 62.59 C ATOM 413 CG1 ILE A 47 66.716 75.314 2.382 1.00 54.15 C ATOM 414 CG2 ILE A 47 66.027 73.038 1.585 1.00 55.05 C ATOM 415 CD1 ILE A 47 65.428 76.092 2.270 1.00 43.23 C ATOM 416 H ILE A 47 69.108 75.741 0.471 1.00 0.00 H ATOM 417 N ALA A 48 68.566 71.714 0.023 1.00 60.69 N ATOM 418 CA ALA A 48 68.561 70.809 -1.125 1.00 53.36 C ATOM 419 C ALA A 48 67.107 70.550 -1.514 1.00 56.00 C ATOM 420 O ALA A 48 66.430 69.708 -0.914 1.00 48.56 O ATOM 421 CB ALA A 48 69.283 69.505 -0.798 1.00 48.39 C ATOM 422 H ALA A 48 68.507 71.302 0.976 1.00 0.00 H ATOM 423 N ILE A 49 66.639 71.263 -2.536 1.00 61.33 N ATOM 424 CA ILE A 49 65.260 71.182 -3.012 1.00 55.01 C ATOM 425 C ILE A 49 65.182 70.180 -4.161 1.00 54.20 C ATOM 426 O ILE A 49 65.830 70.363 -5.196 1.00 58.27 O ATOM 427 CB ILE A 49 64.763 72.564 -3.464 1.00 50.81 C ATOM 428 CG1 ILE A 49 64.900 73.571 -2.319 1.00 53.14 C ATOM 429 CG2 ILE A 49 63.325 72.482 -3.956 1.00 50.47 C ATOM 430 CD1 ILE A 49 64.581 75.001 -2.699 1.00 54.58 C ATOM 431 H ILE A 49 67.290 71.913 -3.022 1.00 0.00 H ATOM 432 N HIS A 50 64.378 69.131 -3.987 1.00 44.46 N ATOM 433 CA HIS A 50 64.077 68.173 -5.047 1.00 39.29 C ATOM 434 C HIS A 50 62.570 68.156 -5.267 1.00 51.39 C ATOM 435 O HIS A 50 61.805 67.878 -4.334 1.00 38.28 O ATOM 436 CB HIS A 50 64.584 66.772 -4.695 1.00 38.87 C ATOM 437 H HIS A 50 63.945 68.988 -3.052 1.00 0.00 H ATOM 438 N GLN A 51 62.146 68.441 -6.499 1.00 43.16 N ATOM 439 CA GLN A 51 60.732 68.548 -6.839 1.00 41.99 C ATOM 440 C GLN A 51 60.436 67.774 -8.116 1.00 44.20 C ATOM 441 O GLN A 51 61.148 67.924 -9.111 1.00 34.33 O ATOM 442 CB GLN A 51 60.317 70.005 -7.051 1.00 44.01 C ATOM 443 CG GLN A 51 60.603 70.921 -5.919 1.00 43.76 C ATOM 444 CD GLN A 51 59.903 72.243 -6.104 1.00 54.42 C ATOM 445 OE1 GLN A 51 59.071 72.646 -5.286 1.00 54.17 O ATOM 446 NE2 GLN A 51 60.220 72.924 -7.205 1.00 58.99 N ATOM 447 HE22 GLN A 51 60.928 72.544 -7.866 1.00 0.00 H ATOM 448 HE21 GLN A 51 59.760 73.835 -7.403 1.00 0.00 H ATOM 449 H GLN A 51 62.852 68.593 -7.247 1.00 0.00 H ATOM 450 N ALA A 52 59.362 66.985 -8.101 1.00 44.00 N ATOM 451 CA ALA A 52 58.900 66.319 -9.311 1.00 41.48 C ATOM 452 C ALA A 52 57.497 65.765 -9.113 1.00 38.68 C ATOM 453 O ALA A 52 57.228 65.096 -8.111 1.00 31.59 O ATOM 454 CB ALA A 52 59.864 65.196 -9.706 1.00 39.53 C ATOM 455 H ALA A 52 58.845 66.842 -7.210 1.00 0.00 H ATOM 456 N GLY A 53 56.599 66.042 -10.060 1.00 33.47 N ATOM 457 CA GLY A 53 55.261 65.475 -10.023 1.00 32.59 C ATOM 458 C GLY A 53 54.375 65.965 -8.898 1.00 27.30 C ATOM 459 O GLY A 53 53.484 65.231 -8.462 1.00 24.84 O ATOM 460 H GLY A 53 56.862 66.677 -10.841 1.00 0.00 H ATOM 461 N GLU A 54 54.589 67.194 -8.428 1.00 31.34 N ATOM 462 CA GLU A 54 53.848 67.848 -7.345 1.00 37.24 C ATOM 463 C GLU A 54 54.307 67.394 -5.961 1.00 26.65 C ATOM 464 O GLU A 54 53.719 67.817 -4.964 1.00 31.45 O ATOM 465 CB GLU A 54 52.327 67.666 -7.479 1.00 36.69 C ATOM 466 CG GLU A 54 51.709 68.609 -8.513 1.00 36.54 C ATOM 467 CD GLU A 54 51.818 70.056 -8.080 1.00 37.78 C ATOM 468 OE1 GLU A 54 52.406 70.861 -8.839 1.00 38.00 O ATOM 469 OE2 GLU A 54 51.333 70.375 -6.964 1.00 31.92 O ATOM 470 H GLU A 54 55.354 67.741 -8.872 1.00 0.00 H ATOM 471 N PHE A 55 55.356 66.583 -5.871 1.00 27.75 N ATOM 472 CA PHE A 55 55.985 66.216 -4.609 1.00 31.42 C ATOM 473 C PHE A 55 57.281 67.004 -4.443 1.00 33.19 C ATOM 474 O PHE A 55 58.249 66.776 -5.174 1.00 34.95 O ATOM 475 CB PHE A 55 56.268 64.718 -4.563 1.00 29.74 C ATOM 476 CG PHE A 55 56.759 64.236 -3.226 1.00 29.86 C ATOM 477 CD1 PHE A 55 58.064 64.479 -2.825 1.00 37.88 C ATOM 478 CD2 PHE A 55 55.921 63.542 -2.370 1.00 32.85 C ATOM 479 CE1 PHE A 55 58.524 64.041 -1.598 1.00 35.28 C ATOM 480 CE2 PHE A 55 56.379 63.095 -1.148 1.00 36.26 C ATOM 481 CZ PHE A 55 57.686 63.352 -0.762 1.00 36.74 C ATOM 482 H PHE A 55 55.749 66.189 -6.749 1.00 0.00 H ATOM 483 N THR A 56 57.311 67.900 -3.457 1.00 31.14 N ATOM 484 CA THR A 56 58.508 68.653 -3.108 1.00 32.81 C ATOM 485 C THR A 56 59.150 68.090 -1.837 1.00 35.11 C ATOM 486 O THR A 56 58.462 67.822 -0.845 1.00 31.86 O ATOM 487 CB THR A 56 58.165 70.126 -2.896 1.00 33.37 C ATOM 488 OG1 THR A 56 57.704 70.693 -4.120 1.00 32.48 O ATOM 489 CG2 THR A 56 59.380 70.921 -2.396 1.00 39.42 C ATOM 490 HG1 THR A 56 56.896 70.208 -4.424 1.00 0.00 H ATOM 491 H THR A 56 56.441 68.069 -2.913 1.00 0.00 H ATOM 492 N GLN A 57 60.475 67.942 -1.860 1.00 33.17 N ATOM 493 CA GLN A 57 61.258 67.585 -0.682 1.00 39.45 C ATOM 494 C GLN A 57 62.308 68.658 -0.432 1.00 41.54 C ATOM 495 O GLN A 57 63.021 69.057 -1.356 1.00 45.70 O ATOM 496 CB GLN A 57 61.942 66.226 -0.845 1.00 38.56 C ATOM 497 CG GLN A 57 63.092 66.024 0.159 1.00 47.63 C ATOM 498 CD GLN A 57 63.693 64.630 0.136 1.00 54.03 C ATOM 499 OE1 GLN A 57 63.028 63.638 0.451 1.00 43.38 O ATOM 500 NE2 GLN A 57 64.971 64.552 -0.233 1.00 61.63 N ATOM 501 HE22 GLN A 57 65.492 65.415 -0.490 1.00 0.00 H ATOM 502 HE21 GLN A 57 65.448 63.628 -0.264 1.00 0.00 H ATOM 503 H GLN A 57 60.974 68.088 -2.761 1.00 0.00 H ATOM 504 N PHE A 58 62.395 69.127 0.809 1.00 36.13 N ATOM 505 CA PHE A 58 63.447 70.035 1.251 1.00 38.18 C ATOM 506 C PHE A 58 64.394 69.289 2.183 1.00 46.28 C ATOM 507 O PHE A 58 63.948 68.672 3.157 1.00 38.65 O ATOM 508 CB PHE A 58 62.895 71.243 2.012 1.00 41.33 C ATOM 509 CG PHE A 58 61.973 72.115 1.219 1.00 43.38 C ATOM 510 CD1 PHE A 58 62.472 73.120 0.422 1.00 51.96 C ATOM 511 CD2 PHE A 58 60.602 71.958 1.311 1.00 50.40 C ATOM 512 CE1 PHE A 58 61.620 73.936 -0.303 1.00 57.23 C ATOM 513 CE2 PHE A 58 59.743 72.775 0.593 1.00 49.02 C ATOM 514 CZ PHE A 58 60.252 73.766 -0.210 1.00 48.84 C ATOM 515 H PHE A 58 61.676 68.831 1.500 1.00 0.00 H ATOM 516 N ARG A 59 65.691 69.362 1.894 1.00 46.15 N ATOM 517 CA ARG A 59 66.737 68.946 2.820 1.00 49.01 C ATOM 518 C ARG A 59 67.396 70.211 3.344 1.00 50.89 C ATOM 519 O ARG A 59 67.879 71.034 2.558 1.00 48.20 O ATOM 520 CB ARG A 59 67.763 68.034 2.147 1.00 49.10 C ATOM 521 H ARG A 59 65.971 69.733 0.964 1.00 0.00 H ATOM 522 N PHE A 60 67.384 70.380 4.659 1.00 57.42 N ATOM 523 CA PHE A 60 67.955 71.560 5.288 1.00 52.44 C ATOM 524 C PHE A 60 69.389 71.284 5.737 1.00 48.93 C ATOM 525 O PHE A 60 69.804 70.133 5.919 1.00 38.37 O ATOM 526 CB PHE A 60 67.088 72.000 6.472 1.00 47.81 C ATOM 527 CG PHE A 60 65.803 72.660 6.060 1.00 41.75 C ATOM 528 CD1 PHE A 60 64.668 71.903 5.803 1.00 38.92 C ATOM 529 CD2 PHE A 60 65.735 74.037 5.911 1.00 44.29 C ATOM 530 CE1 PHE A 60 63.483 72.515 5.412 1.00 32.05 C ATOM 531 CE2 PHE A 60 64.563 74.654 5.518 1.00 40.69 C ATOM 532 CZ PHE A 60 63.432 73.892 5.267 1.00 28.24 C ATOM 533 H PHE A 60 66.954 69.647 5.258 1.00 0.00 H ATOM 534 N SER A 61 70.152 72.370 5.896 1.00 50.35 N ATOM 535 CA SER A 61 71.520 72.264 6.403 1.00 57.43 C ATOM 536 C SER A 61 71.530 72.021 7.913 1.00 57.85 C ATOM 537 O SER A 61 72.086 71.025 8.392 1.00 53.38 O ATOM 538 CB SER A 61 72.309 73.535 6.065 1.00 51.31 C ATOM 539 OG SER A 61 72.281 73.818 4.676 1.00 63.66 O ATOM 540 HG SER A 61 71.343 73.947 4.385 1.00 0.00 H ATOM 541 H SER A 61 69.767 73.306 5.655 1.00 0.00 H ATOM 542 N LYS A 62 70.927 72.928 8.679 1.00 51.00 N ATOM 543 CA LYS A 62 70.845 72.739 10.119 1.00 53.63 C ATOM 544 C LYS A 62 69.642 71.868 10.473 1.00 49.61 C ATOM 545 O LYS A 62 68.719 71.674 9.677 1.00 55.65 O ATOM 546 CB LYS A 62 70.763 74.087 10.843 1.00 45.15 C ATOM 547 CG LYS A 62 69.452 74.830 10.666 1.00 43.79 C ATOM 548 H LYS A 62 70.512 73.777 8.245 1.00 0.00 H ATOM 549 N LYS A 63 69.675 71.324 11.683 1.00 46.56 N ATOM 550 CA LYS A 63 68.596 70.476 12.182 1.00 52.12 C ATOM 551 C LYS A 63 67.442 71.369 12.625 1.00 41.10 C ATOM 552 O LYS A 63 67.567 72.119 13.596 1.00 40.97 O ATOM 553 CB LYS A 63 69.109 69.604 13.324 1.00 46.39 C ATOM 554 CG LYS A 63 70.311 68.734 12.910 1.00 52.94 C ATOM 555 CD LYS A 63 71.167 68.306 14.097 1.00 55.10 C ATOM 556 CE LYS A 63 70.451 67.304 15.004 1.00 54.52 C ATOM 557 NZ LYS A 63 70.410 65.935 14.401 1.00 49.42 N ATOM 558 HZ1 LYS A 63 69.904 65.972 13.493 1.00 0.00 H ATOM 559 HZ2 LYS A 63 71.381 65.597 14.245 1.00 0.00 H ATOM 560 HZ3 LYS A 63 69.916 65.287 15.048 1.00 0.00 H ATOM 561 H LYS A 63 70.495 71.507 12.295 1.00 0.00 H ATOM 562 N MET A 64 66.319 71.302 11.902 1.00 43.64 N ATOM 563 CA MET A 64 65.212 72.227 12.107 1.00 31.22 C ATOM 564 C MET A 64 64.231 71.742 13.159 1.00 26.90 C ATOM 565 O MET A 64 63.587 72.566 13.815 1.00 27.83 O ATOM 566 CB MET A 64 64.465 72.449 10.787 1.00 37.34 C ATOM 567 CG MET A 64 65.309 73.043 9.670 1.00 33.52 C ATOM 568 SD MET A 64 65.995 74.662 10.050 1.00 55.08 S ATOM 569 CE MET A 64 64.524 75.666 10.224 1.00 57.24 C ATOM 570 H MET A 64 66.233 70.567 11.171 1.00 0.00 H ATOM 571 N ARG A 65 64.089 70.428 13.316 1.00 26.69 N ATOM 572 CA ARG A 65 63.221 69.827 14.325 1.00 30.05 C ATOM 573 C ARG A 65 64.009 68.745 15.047 1.00 33.19 C ATOM 574 O ARG A 65 63.750 67.546 14.878 1.00 28.95 O ATOM 575 CB ARG A 65 61.939 69.269 13.699 1.00 35.39 C ATOM 576 CG ARG A 65 60.915 70.336 13.335 1.00 29.90 C ATOM 577 CD ARG A 65 60.344 70.993 14.589 1.00 25.19 C ATOM 578 NE ARG A 65 59.655 69.985 15.389 1.00 26.44 N ATOM 579 CZ ARG A 65 58.389 69.616 15.207 1.00 23.82 C ATOM 580 NH1 ARG A 65 57.656 70.189 14.258 1.00 27.19 N ATOM 581 NH2 ARG A 65 57.858 68.667 15.968 1.00 24.03 N ATOM 582 HE ARG A 65 60.189 69.524 16.153 1.00 0.00 H ATOM 583 HH12 ARG A 65 56.667 69.899 14.118 1.00 0.00 H ATOM 584 HH11 ARG A 65 58.071 70.928 13.655 1.00 0.00 H ATOM 585 HH22 ARG A 65 56.869 68.379 15.826 1.00 0.00 H ATOM 586 HH21 ARG A 65 58.431 68.211 16.707 1.00 0.00 H ATOM 587 H ARG A 65 64.624 69.796 12.687 1.00 0.00 H ATOM 588 N PRO A 66 64.986 69.147 15.889 1.00 34.00 N ATOM 589 CA PRO A 66 65.797 68.163 16.626 1.00 34.33 C ATOM 590 C PRO A 66 64.981 67.148 17.405 1.00 33.70 C ATOM 591 O PRO A 66 65.456 66.039 17.660 1.00 41.38 O ATOM 592 CB PRO A 66 66.620 69.030 17.582 1.00 33.62 C ATOM 593 CG PRO A 66 66.677 70.366 16.947 1.00 44.38 C ATOM 594 CD PRO A 66 65.400 70.531 16.164 1.00 34.58 C ATOM 595 N ASP A 67 63.754 67.510 17.779 1.00 30.18 N ATOM 596 CA ASP A 67 62.931 66.697 18.672 1.00 24.69 C ATOM 597 C ASP A 67 62.397 65.417 18.043 1.00 31.93 C ATOM 598 O ASP A 67 61.917 64.542 18.777 1.00 24.76 O ATOM 599 CB ASP A 67 61.756 67.537 19.160 1.00 34.69 C ATOM 600 CG ASP A 67 60.929 68.101 18.010 1.00 34.92 C ATOM 601 OD1 ASP A 67 61.472 68.914 17.232 1.00 28.60 O ATOM 602 OD2 ASP A 67 59.739 67.735 17.892 1.00 31.30 O ATOM 603 H ASP A 67 63.367 68.407 17.421 1.00 0.00 H ATOM 604 N LEU A 68 62.434 65.282 16.721 1.00 36.28 N ATOM 605 CA LEU A 68 61.798 64.152 16.058 1.00 33.37 C ATOM 606 C LEU A 68 62.804 63.050 15.748 1.00 29.12 C ATOM 607 O LEU A 68 63.971 63.312 15.448 1.00 31.60 O ATOM 608 CB LEU A 68 61.121 64.598 14.755 1.00 31.60 C ATOM 609 CG LEU A 68 60.057 65.691 14.876 1.00 26.05 C ATOM 610 CD1 LEU A 68 59.692 66.187 13.497 1.00 34.65 C ATOM 611 CD2 LEU A 68 58.837 65.169 15.587 1.00 26.19 C ATOM 612 H LEU A 68 62.927 65.997 16.149 1.00 0.00 H ATOM 613 N THR A 69 62.325 61.809 15.802 1.00 29.24 N ATOM 614 CA THR A 69 63.016 60.690 15.181 1.00 36.54 C ATOM 615 C THR A 69 62.660 60.624 13.695 1.00 49.60 C ATOM 616 O THR A 69 61.482 60.689 13.327 1.00 47.49 O ATOM 617 CB THR A 69 62.618 59.385 15.858 1.00 46.04 C ATOM 618 OG1 THR A 69 61.188 59.318 15.932 1.00 53.44 O ATOM 619 CG2 THR A 69 63.215 59.293 17.263 1.00 49.28 C ATOM 620 HG1 THR A 69 60.810 59.351 15.018 1.00 0.00 H ATOM 621 H THR A 69 61.430 61.635 16.303 1.00 0.00 H ATOM 622 N GLY A 70 63.672 60.495 12.840 1.00 47.44 N ATOM 623 CA GLY A 70 63.404 60.329 11.418 1.00 46.88 C ATOM 624 C GLY A 70 62.558 59.093 11.165 1.00 45.07 C ATOM 625 O GLY A 70 62.734 58.060 11.811 1.00 49.68 O ATOM 626 H GLY A 70 64.652 60.513 13.187 1.00 0.00 H ATOM 627 N MET A 71 61.608 59.209 10.234 1.00 39.10 N ATOM 628 CA MET A 71 60.761 58.081 9.866 1.00 37.46 C ATOM 629 C MET A 71 60.956 57.748 8.387 1.00 43.15 C ATOM 630 O MET A 71 61.654 58.445 7.642 1.00 34.92 O ATOM 631 CB MET A 71 59.279 58.353 10.192 1.00 40.90 C ATOM 632 CG MET A 71 58.686 59.612 9.570 1.00 51.53 C ATOM 633 SD MET A 71 57.216 60.188 10.465 1.00 46.47 S ATOM 634 CE MET A 71 56.002 58.983 9.967 1.00 37.30 C ATOM 635 H MET A 71 61.469 60.125 9.761 1.00 0.00 H ATOM 636 N VAL A 72 60.347 56.644 7.975 1.00 40.51 N ATOM 637 CA VAL A 72 60.578 56.083 6.651 1.00 45.57 C ATOM 638 C VAL A 72 59.651 56.765 5.651 1.00 44.36 C ATOM 639 O VAL A 72 58.425 56.765 5.819 1.00 40.03 O ATOM 640 CB VAL A 72 60.372 54.562 6.663 1.00 48.75 C ATOM 641 CG1 VAL A 72 60.338 53.989 5.239 1.00 53.70 C ATOM 642 CG2 VAL A 72 61.479 53.898 7.471 1.00 43.42 C ATOM 643 H VAL A 72 59.684 56.164 8.617 1.00 0.00 H ATOM 644 N LEU A 73 60.243 57.334 4.602 1.00 50.14 N ATOM 645 CA LEU A 73 59.506 57.917 3.487 1.00 42.03 C ATOM 646 C LEU A 73 59.560 56.946 2.309 1.00 50.64 C ATOM 647 O LEU A 73 60.593 56.831 1.640 1.00 51.80 O ATOM 648 CB LEU A 73 60.097 59.275 3.112 1.00 42.21 C ATOM 649 CG LEU A 73 59.662 59.892 1.775 1.00 44.81 C ATOM 650 CD1 LEU A 73 58.160 60.020 1.715 1.00 40.16 C ATOM 651 CD2 LEU A 73 60.326 61.253 1.589 1.00 48.90 C ATOM 652 H LEU A 73 61.282 57.364 4.577 1.00 0.00 H ATOM 653 N GLU A 74 58.447 56.263 2.053 1.00 44.49 N ATOM 654 CA GLU A 74 58.326 55.339 0.934 1.00 43.40 C ATOM 655 C GLU A 74 57.732 56.024 -0.295 1.00 45.81 C ATOM 656 O GLU A 74 57.020 57.025 -0.197 1.00 44.73 O ATOM 657 CB GLU A 74 57.447 54.151 1.317 1.00 48.07 C ATOM 658 CG GLU A 74 58.163 53.071 2.097 1.00 52.86 C ATOM 659 CD GLU A 74 57.258 51.906 2.400 1.00 51.30 C ATOM 660 OE1 GLU A 74 56.030 52.023 2.171 1.00 46.09 O ATOM 661 OE2 GLU A 74 57.777 50.873 2.874 1.00 54.05 O ATOM 662 H GLU A 74 57.628 56.395 2.680 1.00 0.00 H ATOM 663 N GLU A 75 58.022 55.452 -1.468 1.00 47.05 N ATOM 664 CA GLU A 75 57.440 55.913 -2.733 1.00 47.59 C ATOM 665 C GLU A 75 56.047 55.302 -2.876 1.00 41.06 C ATOM 666 O GLU A 75 55.831 54.301 -3.564 1.00 44.07 O ATOM 667 CB GLU A 75 58.341 55.543 -3.906 1.00 54.64 C ATOM 668 H GLU A 75 58.685 54.651 -1.484 1.00 0.00 H ATOM 669 N GLY A 76 55.081 55.932 -2.212 1.00 44.75 N ATOM 670 CA GLY A 76 53.740 55.393 -2.132 1.00 39.82 C ATOM 671 C GLY A 76 53.677 54.238 -1.154 1.00 40.88 C ATOM 672 O GLY A 76 54.623 53.945 -0.422 1.00 48.78 O ATOM 673 H GLY A 76 55.295 56.833 -1.739 1.00 0.00 H ATOM 674 N CYS A 77 52.534 53.574 -1.143 1.00 44.88 N ATOM 675 CA CYS A 77 52.351 52.378 -0.341 1.00 43.25 C ATOM 676 C CYS A 77 51.716 51.273 -1.170 1.00 53.94 C ATOM 677 O CYS A 77 51.031 51.542 -2.164 1.00 43.68 O ATOM 678 CB CYS A 77 51.466 52.665 0.878 1.00 48.13 C ATOM 679 SG CYS A 77 49.770 53.014 0.435 1.00 50.15 S ATOM 680 H CYS A 77 51.744 53.918 -1.725 1.00 0.00 H ATOM 681 N PRO A 78 51.925 50.013 -0.784 1.00 55.37 N ATOM 682 CA PRO A 78 51.234 48.905 -1.454 1.00 56.74 C ATOM 683 C PRO A 78 49.746 49.185 -1.613 1.00 56.43 C ATOM 684 O PRO A 78 49.088 49.679 -0.696 1.00 56.11 O ATOM 685 CB PRO A 78 51.489 47.723 -0.515 1.00 60.23 C ATOM 686 CG PRO A 78 52.818 48.034 0.109 1.00 54.47 C ATOM 687 CD PRO A 78 52.866 49.535 0.247 1.00 54.27 C ATOM 688 N GLU A 79 49.216 48.854 -2.792 1.00 53.86 N ATOM 689 CA GLU A 79 47.811 49.108 -3.084 1.00 55.48 C ATOM 690 C GLU A 79 46.918 48.388 -2.076 1.00 58.17 C ATOM 691 O GLU A 79 47.329 47.434 -1.411 1.00 60.71 O ATOM 692 CB GLU A 79 47.469 48.664 -4.508 1.00 53.76 C ATOM 693 H GLU A 79 49.816 48.407 -3.515 1.00 0.00 H ATOM 694 N GLY A 80 45.681 48.871 -1.952 1.00 52.87 N ATOM 695 CA GLY A 80 44.733 48.304 -1.009 1.00 53.22 C ATOM 696 C GLY A 80 44.931 48.797 0.414 1.00 55.56 C ATOM 697 O GLY A 80 43.966 48.922 1.178 1.00 47.89 O ATOM 698 H GLY A 80 45.388 49.673 -2.545 1.00 0.00 H ATOM 699 N THR A 81 46.186 49.073 0.775 1.00 55.01 N ATOM 700 CA THR A 81 46.548 49.603 2.088 1.00 50.40 C ATOM 701 C THR A 81 45.581 50.674 2.582 1.00 50.94 C ATOM 702 O THR A 81 44.983 51.408 1.788 1.00 58.86 O ATOM 703 CB THR A 81 47.964 50.188 2.038 1.00 52.99 C ATOM 704 OG1 THR A 81 48.891 49.176 1.619 1.00 57.20 O ATOM 705 CG2 THR A 81 48.395 50.733 3.406 1.00 52.53 C ATOM 706 HG1 THR A 81 48.638 48.850 0.719 1.00 0.00 H ATOM 707 H THR A 81 46.946 48.902 0.086 1.00 0.00 H ATOM 708 N VAL A 82 45.418 50.769 3.895 1.00 50.40 N ATOM 709 CA VAL A 82 44.666 51.850 4.515 1.00 57.41 C ATOM 710 C VAL A 82 45.659 52.773 5.208 1.00 58.58 C ATOM 711 O VAL A 82 46.422 52.339 6.081 1.00 53.15 O ATOM 712 CB VAL A 82 43.616 51.328 5.505 1.00 58.02 C ATOM 713 CG1 VAL A 82 42.812 52.491 6.079 1.00 44.08 C ATOM 714 CG2 VAL A 82 42.704 50.319 4.816 1.00 56.17 C ATOM 715 H VAL A 82 45.844 50.043 4.505 1.00 0.00 H ATOM 716 N CYS A 83 45.653 54.041 4.811 1.00 57.87 N ATOM 717 CA CYS A 83 46.452 55.079 5.438 1.00 43.30 C ATOM 718 C CYS A 83 45.541 56.024 6.206 1.00 39.22 C ATOM 719 O CYS A 83 44.317 56.014 6.057 1.00 37.97 O ATOM 720 CB CYS A 83 47.248 55.866 4.390 1.00 45.37 C ATOM 721 SG CYS A 83 48.369 54.879 3.398 1.00 45.66 S ATOM 722 H CYS A 83 45.044 54.304 4.010 1.00 0.00 H ATOM 723 N SER A 84 46.151 56.861 7.032 1.00 39.19 N ATOM 724 CA SER A 84 45.453 57.991 7.622 1.00 37.91 C ATOM 725 C SER A 84 46.011 59.259 6.996 1.00 28.68 C ATOM 726 O SER A 84 47.226 59.389 6.823 1.00 31.42 O ATOM 727 CB SER A 84 45.604 58.021 9.148 1.00 37.70 C ATOM 728 OG SER A 84 46.877 58.532 9.514 1.00 42.51 O ATOM 729 HG SER A 84 46.975 59.453 9.163 1.00 0.00 H ATOM 730 H SER A 84 47.153 56.706 7.264 1.00 0.00 H ATOM 731 N VAL A 85 45.123 60.162 6.616 1.00 29.40 N ATOM 732 CA VAL A 85 45.510 61.489 6.173 1.00 29.82 C ATOM 733 C VAL A 85 45.450 62.392 7.396 1.00 26.11 C ATOM 734 O VAL A 85 44.408 62.490 8.047 1.00 28.35 O ATOM 735 CB VAL A 85 44.591 61.989 5.049 1.00 30.79 C ATOM 736 CG1 VAL A 85 44.998 63.384 4.618 1.00 27.30 C ATOM 737 CG2 VAL A 85 44.642 61.016 3.868 1.00 35.96 C ATOM 738 H VAL A 85 44.113 59.913 6.635 1.00 0.00 H ATOM 739 N LEU A 86 46.577 63.014 7.733 1.00 24.89 N ATOM 740 CA LEU A 86 46.701 63.781 8.973 1.00 27.23 C ATOM 741 C LEU A 86 46.436 65.245 8.669 1.00 20.82 C ATOM 742 O LEU A 86 47.352 66.050 8.519 1.00 21.59 O ATOM 743 CB LEU A 86 48.082 63.601 9.591 1.00 24.80 C ATOM 744 CG LEU A 86 48.499 62.176 9.929 1.00 24.85 C ATOM 745 CD1 LEU A 86 49.837 62.186 10.618 1.00 28.31 C ATOM 746 CD2 LEU A 86 47.441 61.513 10.783 1.00 25.07 C ATOM 747 H LEU A 86 47.396 62.953 7.095 1.00 0.00 H ATOM 748 N ILE A 87 45.160 65.588 8.619 1.00 20.81 N ATOM 749 CA ILE A 87 44.733 66.929 8.257 1.00 24.64 C ATOM 750 C ILE A 87 44.678 67.805 9.499 1.00 27.15 C ATOM 751 O ILE A 87 44.066 67.440 10.508 1.00 24.65 O ATOM 752 CB ILE A 87 43.371 66.892 7.548 1.00 27.26 C ATOM 753 CG1 ILE A 87 43.537 66.289 6.159 1.00 30.07 C ATOM 754 CG2 ILE A 87 42.792 68.291 7.386 1.00 28.86 C ATOM 755 CD1 ILE A 87 42.477 65.318 5.821 1.00 36.66 C ATOM 756 H ILE A 87 44.438 64.875 8.846 1.00 0.00 H ATOM 757 N LYS A 88 45.324 68.963 9.417 1.00 28.40 N ATOM 758 CA LYS A 88 45.167 70.051 10.372 1.00 28.33 C ATOM 759 C LYS A 88 44.384 71.141 9.664 1.00 28.07 C ATOM 760 O LYS A 88 44.687 71.466 8.513 1.00 28.10 O ATOM 761 CB LYS A 88 46.519 70.613 10.835 1.00 19.81 C ATOM 762 CG LYS A 88 47.264 69.806 11.886 1.00 22.67 C ATOM 763 CD LYS A 88 48.581 70.493 12.229 1.00 22.58 C ATOM 764 CE LYS A 88 49.228 69.893 13.470 1.00 28.27 C ATOM 765 NZ LYS A 88 50.413 70.697 13.922 1.00 22.94 N ATOM 766 HZ1 LYS A 88 51.123 70.723 13.162 1.00 0.00 H ATOM 767 HZ2 LYS A 88 50.108 71.665 14.147 1.00 0.00 H ATOM 768 HZ3 LYS A 88 50.826 70.257 14.769 1.00 0.00 H ATOM 769 H LYS A 88 45.981 69.101 8.623 1.00 0.00 H ATOM 770 N ARG A 89 43.384 71.696 10.335 1.00 29.15 N ATOM 771 CA ARG A 89 42.664 72.852 9.820 1.00 28.51 C ATOM 772 C ARG A 89 43.191 74.129 10.467 1.00 29.23 C ATOM 773 O ARG A 89 43.689 74.118 11.598 1.00 32.57 O ATOM 774 CB ARG A 89 41.162 72.698 10.068 1.00 32.40 C ATOM 775 CG ARG A 89 40.563 71.542 9.299 1.00 27.84 C ATOM 776 CD ARG A 89 40.158 71.978 7.892 1.00 39.72 C ATOM 777 NE ARG A 89 40.149 70.888 6.914 1.00 37.13 N ATOM 778 CZ ARG A 89 39.191 69.967 6.808 1.00 39.57 C ATOM 779 NH1 ARG A 89 38.159 69.968 7.639 1.00 44.04 N ATOM 780 NH2 ARG A 89 39.278 69.021 5.881 1.00 31.77 N ATOM 781 HE ARG A 89 40.950 70.828 6.253 1.00 0.00 H ATOM 782 HH12 ARG A 89 37.417 69.245 7.548 1.00 0.00 H ATOM 783 HH11 ARG A 89 38.091 70.692 8.383 1.00 0.00 H ATOM 784 HH22 ARG A 89 38.530 68.303 5.799 1.00 0.00 H ATOM 785 HH21 ARG A 89 40.094 68.998 5.237 1.00 0.00 H ATOM 786 H ARG A 89 43.107 71.295 11.254 1.00 0.00 H ATOM 787 N ASP A 90 43.096 75.233 9.717 1.00 30.37 N ATOM 788 CA ASP A 90 43.517 76.541 10.207 1.00 28.12 C ATOM 789 C ASP A 90 42.963 76.856 11.590 1.00 29.54 C ATOM 790 O ASP A 90 43.535 77.686 12.302 1.00 34.69 O ATOM 791 CB ASP A 90 43.072 77.634 9.230 1.00 33.76 C ATOM 792 CG ASP A 90 43.966 77.738 8.008 1.00 45.46 C ATOM 793 OD1 ASP A 90 44.864 76.884 7.846 1.00 43.42 O ATOM 794 OD2 ASP A 90 43.756 78.676 7.203 1.00 43.16 O ATOM 795 H ASP A 90 42.710 75.156 8.754 1.00 0.00 H ATOM 796 N SER A 91 41.858 76.227 11.987 1.00 31.33 N ATOM 797 CA SER A 91 41.297 76.440 13.317 1.00 32.75 C ATOM 798 C SER A 91 42.029 75.674 14.413 1.00 28.35 C ATOM 799 O SER A 91 41.750 75.902 15.592 1.00 30.51 O ATOM 800 CB SER A 91 39.834 76.022 13.329 1.00 19.99 C ATOM 801 OG SER A 91 39.730 74.607 13.419 1.00 29.42 O ATOM 802 HG SER A 91 38.775 74.347 13.426 1.00 0.00 H ATOM 803 H SER A 91 41.385 75.570 11.335 1.00 0.00 H ATOM 804 N GLY A 92 42.930 74.760 14.062 1.00 27.80 N ATOM 805 CA GLY A 92 43.600 73.929 15.034 1.00 26.83 C ATOM 806 C GLY A 92 43.015 72.545 15.169 1.00 28.51 C ATOM 807 O GLY A 92 43.654 71.684 15.789 1.00 22.69 O ATOM 808 H GLY A 92 43.159 74.640 13.055 1.00 0.00 H ATOM 809 N GLU A 93 41.827 72.308 14.610 1.00 28.36 N ATOM 810 CA GLU A 93 41.226 70.982 14.648 1.00 29.29 C ATOM 811 C GLU A 93 42.118 69.975 13.942 1.00 29.02 C ATOM 812 O GLU A 93 42.654 70.248 12.869 1.00 23.42 O ATOM 813 CB GLU A 93 39.841 70.976 13.978 1.00 29.86 C ATOM 814 CG GLU A 93 39.161 69.590 14.044 1.00 37.03 C ATOM 815 CD GLU A 93 37.868 69.473 13.243 1.00 42.16 C ATOM 816 OE1 GLU A 93 37.465 70.451 12.573 1.00 44.83 O ATOM 817 OE2 GLU A 93 37.261 68.376 13.281 1.00 37.12 O ATOM 818 H GLU A 93 41.321 73.085 14.138 1.00 0.00 H ATOM 819 N LEU A 94 42.273 68.804 14.557 1.00 31.33 N ATOM 820 CA LEU A 94 42.937 67.668 13.936 1.00 27.16 C ATOM 821 C LEU A 94 41.871 66.764 13.325 1.00 33.64 C ATOM 822 O LEU A 94 40.857 66.469 13.963 1.00 34.56 O ATOM 823 CB LEU A 94 43.785 66.902 14.961 1.00 26.83 C ATOM 824 CG LEU A 94 44.738 67.739 15.849 1.00 24.21 C ATOM 825 CD1 LEU A 94 45.543 66.873 16.837 1.00 27.39 C ATOM 826 CD2 LEU A 94 45.704 68.591 15.018 1.00 24.27 C ATOM 827 H LEU A 94 41.903 68.697 15.523 1.00 0.00 H ATOM 828 N LEU A 95 42.086 66.335 12.085 1.00 33.69 N ATOM 829 CA LEU A 95 41.075 65.570 11.364 1.00 28.60 C ATOM 830 C LEU A 95 41.740 64.395 10.674 1.00 31.18 C ATOM 831 O LEU A 95 42.123 64.480 9.499 1.00 42.35 O ATOM 832 CB LEU A 95 40.340 66.462 10.364 1.00 30.21 C ATOM 833 CG LEU A 95 39.060 65.917 9.748 1.00 38.04 C ATOM 834 CD1 LEU A 95 37.969 65.840 10.802 1.00 44.51 C ATOM 835 CD2 LEU A 95 38.636 66.794 8.562 1.00 45.68 C ATOM 836 H LEU A 95 42.992 66.549 11.621 1.00 0.00 H ATOM 837 N PRO A 96 41.876 63.257 11.368 1.00 24.92 N ATOM 838 CA PRO A 96 42.499 62.074 10.749 1.00 33.91 C ATOM 839 C PRO A 96 41.522 61.305 9.872 1.00 46.34 C ATOM 840 O PRO A 96 40.567 60.693 10.368 1.00 46.56 O ATOM 841 CB PRO A 96 42.946 61.253 11.965 1.00 32.65 C ATOM 842 CG PRO A 96 41.936 61.589 13.017 1.00 30.04 C ATOM 843 CD PRO A 96 41.532 63.022 12.783 1.00 35.91 C ATOM 844 N LEU A 97 41.763 61.323 8.553 1.00 39.24 N ATOM 845 CA LEU A 97 40.948 60.630 7.554 1.00 42.36 C ATOM 846 C LEU A 97 41.596 59.316 7.132 1.00 39.62 C ATOM 847 O LEU A 97 42.742 59.310 6.674 1.00 43.27 O ATOM 848 CB LEU A 97 40.768 61.487 6.298 1.00 39.11 C ATOM 849 CG LEU A 97 39.706 62.576 6.244 1.00 45.10 C ATOM 850 CD1 LEU A 97 39.836 63.499 7.421 1.00 49.32 C ATOM 851 CD2 LEU A 97 39.832 63.332 4.915 1.00 49.05 C ATOM 852 H LEU A 97 42.584 61.866 8.217 1.00 0.00 H ATOM 853 N ALA A 98 40.850 58.220 7.223 1.00 41.66 N ATOM 854 CA ALA A 98 41.329 56.929 6.739 1.00 45.86 C ATOM 855 C ALA A 98 41.030 56.782 5.253 1.00 44.67 C ATOM 856 O ALA A 98 39.968 57.193 4.780 1.00 46.72 O ATOM 857 CB ALA A 98 40.676 55.785 7.508 1.00 49.12 C ATOM 858 H ALA A 98 39.903 58.284 7.649 1.00 0.00 H ATOM 859 N VAL A 99 41.965 56.171 4.524 1.00 49.64 N ATOM 860 CA VAL A 99 41.913 56.100 3.066 1.00 51.03 C ATOM 861 C VAL A 99 42.354 54.712 2.625 1.00 55.26 C ATOM 862 O VAL A 99 43.421 54.239 3.032 1.00 51.43 O ATOM 863 CB VAL A 99 42.815 57.165 2.406 1.00 40.81 C ATOM 864 CG1 VAL A 99 42.747 57.076 0.866 1.00 52.70 C ATOM 865 CG2 VAL A 99 42.423 58.541 2.857 1.00 50.50 C ATOM 866 H VAL A 99 42.766 55.726 5.015 1.00 0.00 H ATOM 867 N ARG A 100 41.549 54.070 1.776 1.00 48.40 N ATOM 868 CA ARG A 100 41.940 52.825 1.120 1.00 51.06 C ATOM 869 C ARG A 100 42.654 53.192 -0.175 1.00 43.14 C ATOM 870 O ARG A 100 42.047 53.756 -1.090 1.00 36.76 O ATOM 871 CB ARG A 100 40.723 51.940 0.857 1.00 46.02 C ATOM 872 H ARG A 100 40.610 54.470 1.574 1.00 0.00 H ATOM 873 N MET A 101 43.941 52.884 -0.251 1.00 41.88 N ATOM 874 CA MET A 101 44.776 53.390 -1.329 1.00 45.79 C ATOM 875 C MET A 101 44.652 52.503 -2.566 1.00 53.90 C ATOM 876 O MET A 101 44.974 51.309 -2.522 1.00 51.60 O ATOM 877 CB MET A 101 46.229 53.478 -0.868 1.00 51.22 C ATOM 878 CG MET A 101 46.456 54.433 0.308 1.00 46.52 C ATOM 879 SD MET A 101 45.837 56.105 -0.003 1.00 44.11 S ATOM 880 CE MET A 101 46.913 56.642 -1.309 1.00 39.37 C ATOM 881 H MET A 101 44.362 52.269 0.474 1.00 0.00 H ATOM 882 N GLY A 102 44.183 53.094 -3.665 1.00 53.82 N ATOM 883 CA GLY A 102 44.206 52.451 -4.965 1.00 46.04 C ATOM 884 C GLY A 102 45.608 52.387 -5.535 1.00 48.40 C ATOM 885 O GLY A 102 46.560 52.074 -4.813 1.00 49.07 O ATOM 886 H GLY A 102 43.786 54.052 -3.587 1.00 0.00 H ATOM 887 N ALA A 103 45.759 52.695 -6.822 1.00 53.19 N ATOM 888 CA ALA A 103 47.021 52.490 -7.517 1.00 44.80 C ATOM 889 C ALA A 103 47.773 53.798 -7.729 1.00 38.49 C ATOM 890 O ALA A 103 47.199 54.889 -7.706 1.00 37.75 O ATOM 891 CB ALA A 103 46.785 51.818 -8.871 1.00 54.31 C ATOM 892 H ALA A 103 44.953 53.093 -7.345 1.00 0.00 H ATOM 893 N ILE A 104 49.084 53.663 -7.932 1.00 42.22 N ATOM 894 CA ILE A 104 49.942 54.773 -8.325 1.00 37.59 C ATOM 895 C ILE A 104 49.828 54.972 -9.830 1.00 49.85 C ATOM 896 O ILE A 104 49.665 54.017 -10.598 1.00 50.79 O ATOM 897 CB ILE A 104 51.401 54.501 -7.900 1.00 41.47 C ATOM 898 CG1 ILE A 104 51.522 54.509 -6.371 1.00 50.01 C ATOM 899 CG2 ILE A 104 52.368 55.529 -8.513 1.00 35.46 C ATOM 900 CD1 ILE A 104 52.850 53.987 -5.864 1.00 46.90 C ATOM 901 H ILE A 104 49.513 52.724 -7.804 1.00 0.00 H ATOM 902 N ALA A 105 49.917 56.223 -10.264 1.00 45.19 N ATOM 903 CA ALA A 105 49.791 56.517 -11.678 1.00 35.07 C ATOM 904 C ALA A 105 50.179 57.960 -11.918 1.00 36.57 C ATOM 905 O ALA A 105 50.057 58.808 -11.028 1.00 37.64 O ATOM 906 CB ALA A 105 48.362 56.272 -12.177 1.00 44.45 C ATOM 907 H ALA A 105 50.078 56.996 -9.587 1.00 0.00 H ATOM 908 N SER A 106 50.660 58.222 -13.125 1.00 33.92 N ATOM 909 CA SER A 106 50.771 59.589 -13.603 1.00 27.21 C ATOM 910 C SER A 106 49.378 60.137 -13.850 1.00 36.30 C ATOM 911 O SER A 106 48.530 59.458 -14.438 1.00 31.56 O ATOM 912 CB SER A 106 51.596 59.643 -14.885 1.00 36.45 C ATOM 913 OG SER A 106 52.871 59.065 -14.683 1.00 51.03 O ATOM 914 HG SER A 106 53.390 59.110 -15.525 1.00 0.00 H ATOM 915 H SER A 106 50.962 57.438 -13.738 1.00 0.00 H ATOM 916 N MET A 107 49.137 61.360 -13.392 1.00 36.57 N ATOM 917 CA MET A 107 47.862 62.023 -13.596 1.00 33.86 C ATOM 918 C MET A 107 48.112 63.444 -14.084 1.00 36.24 C ATOM 919 O MET A 107 49.184 64.015 -13.870 1.00 36.24 O ATOM 920 CB MET A 107 47.029 62.013 -12.306 1.00 34.08 C ATOM 921 CG MET A 107 46.614 60.606 -11.870 1.00 37.30 C ATOM 922 SD MET A 107 45.991 60.468 -10.162 1.00 44.53 S ATOM 923 CE MET A 107 47.518 60.157 -9.308 1.00 43.60 C ATOM 924 H MET A 107 49.886 61.859 -12.870 1.00 0.00 H ATOM 925 N ARG A 108 47.122 63.988 -14.792 1.00 31.84 N ATOM 926 CA ARG A 108 47.094 65.396 -15.188 1.00 30.85 C ATOM 927 C ARG A 108 45.863 65.999 -14.514 1.00 30.88 C ATOM 928 O ARG A 108 44.729 65.750 -14.934 1.00 34.62 O ATOM 929 CB ARG A 108 47.052 65.556 -16.711 1.00 40.13 C ATOM 930 CG ARG A 108 48.232 66.342 -17.294 1.00 37.12 C ATOM 931 H ARG A 108 46.328 63.380 -15.078 1.00 0.00 H ATOM 932 N ILE A 109 46.083 66.768 -13.450 1.00 38.76 N ATOM 933 CA ILE A 109 45.007 67.324 -12.637 1.00 31.12 C ATOM 934 C ILE A 109 45.074 68.838 -12.761 1.00 34.99 C ATOM 935 O ILE A 109 46.064 69.458 -12.349 1.00 37.20 O ATOM 936 CB ILE A 109 45.117 66.858 -11.176 1.00 38.86 C ATOM 937 CG1 ILE A 109 44.995 65.333 -11.134 1.00 34.82 C ATOM 938 CG2 ILE A 109 44.035 67.507 -10.290 1.00 33.98 C ATOM 939 CD1 ILE A 109 45.478 64.705 -9.873 1.00 33.69 C ATOM 940 H ILE A 109 47.066 66.982 -13.187 1.00 0.00 H ATOM 941 N GLN A 110 44.024 69.426 -13.347 1.00 38.64 N ATOM 942 CA GLN A 110 43.972 70.858 -13.660 1.00 32.36 C ATOM 943 C GLN A 110 45.273 71.321 -14.298 1.00 26.53 C ATOM 944 O GLN A 110 45.826 72.369 -13.961 1.00 39.22 O ATOM 945 CB GLN A 110 43.645 71.691 -12.416 1.00 40.84 C ATOM 946 CG GLN A 110 42.240 71.438 -11.872 1.00 39.19 C ATOM 947 CD GLN A 110 41.875 72.343 -10.702 1.00 53.31 C ATOM 948 OE1 GLN A 110 42.694 72.600 -9.809 1.00 38.51 O ATOM 949 NE2 GLN A 110 40.635 72.830 -10.701 1.00 47.66 N ATOM 950 HE22 GLN A 110 39.980 72.588 -11.472 1.00 0.00 H ATOM 951 HE21 GLN A 110 40.321 73.453 -9.929 1.00 0.00 H ATOM 952 H GLN A 110 43.203 68.837 -13.593 1.00 0.00 H ATOM 953 N GLY A 111 45.778 70.514 -15.219 1.00 38.80 N ATOM 954 CA GLY A 111 46.892 70.902 -16.053 1.00 30.79 C ATOM 955 C GLY A 111 48.268 70.653 -15.489 1.00 44.91 C ATOM 956 O GLY A 111 49.252 71.055 -16.122 1.00 45.13 O ATOM 957 H GLY A 111 45.359 69.571 -15.346 1.00 0.00 H ATOM 958 N ARG A 112 48.377 70.005 -14.329 1.00 40.90 N ATOM 959 CA ARG A 112 49.664 69.700 -13.723 1.00 36.24 C ATOM 960 C ARG A 112 49.854 68.194 -13.668 1.00 29.68 C ATOM 961 O ARG A 112 48.908 67.449 -13.405 1.00 32.67 O ATOM 962 CB ARG A 112 49.772 70.295 -12.315 1.00 40.03 C ATOM 963 CG ARG A 112 50.166 71.756 -12.319 1.00 47.41 C ATOM 964 CD ARG A 112 49.596 72.510 -11.131 1.00 50.52 C ATOM 965 NE ARG A 112 50.066 73.889 -11.109 1.00 63.78 N ATOM 966 CZ ARG A 112 51.177 74.306 -10.505 1.00 67.96 C ATOM 967 NH1 ARG A 112 51.961 73.454 -9.846 1.00 54.38 N ATOM 968 NH2 ARG A 112 51.505 75.590 -10.562 1.00 65.59 N ATOM 969 HE ARG A 112 49.490 74.601 -11.602 1.00 0.00 H ATOM 970 HH12 ARG A 112 52.825 73.797 -9.380 1.00 0.00 H ATOM 971 HH11 ARG A 112 51.709 72.446 -9.798 1.00 0.00 H ATOM 972 HH22 ARG A 112 52.370 75.927 -10.094 1.00 0.00 H ATOM 973 HH21 ARG A 112 50.897 76.260 -11.075 1.00 0.00 H ATOM 974 H ARG A 112 47.510 69.706 -13.839 1.00 0.00 H ATOM 975 N LEU A 113 51.081 67.755 -13.925 1.00 30.68 N ATOM 976 CA LEU A 113 51.428 66.343 -13.848 1.00 33.08 C ATOM 977 C LEU A 113 51.611 65.947 -12.387 1.00 30.78 C ATOM 978 O LEU A 113 52.457 66.516 -11.690 1.00 34.02 O ATOM 979 CB LEU A 113 52.698 66.085 -14.663 1.00 37.08 C ATOM 980 CG LEU A 113 53.197 64.647 -14.882 1.00 48.68 C ATOM 981 CD1 LEU A 113 52.098 63.701 -15.355 1.00 42.58 C ATOM 982 CD2 LEU A 113 54.339 64.648 -15.891 1.00 42.92 C ATOM 983 H LEU A 113 51.817 68.441 -14.189 1.00 0.00 H ATOM 984 N VAL A 114 50.817 64.985 -11.920 1.00 34.62 N ATOM 985 CA VAL A 114 50.915 64.463 -10.558 1.00 32.09 C ATOM 986 C VAL A 114 51.345 63.005 -10.618 1.00 36.19 C ATOM 987 O VAL A 114 50.614 62.156 -11.145 1.00 37.96 O ATOM 988 CB VAL A 114 49.588 64.582 -9.790 1.00 28.83 C ATOM 989 CG1 VAL A 114 49.773 64.085 -8.360 1.00 30.09 C ATOM 990 CG2 VAL A 114 49.067 66.016 -9.793 1.00 28.41 C ATOM 991 H VAL A 114 50.094 64.587 -12.553 1.00 0.00 H ATOM 992 N HIS A 115 52.517 62.712 -10.051 1.00 30.26 N ATOM 993 CA HIS A 115 52.932 61.341 -9.750 1.00 20.83 C ATOM 994 C HIS A 115 52.258 60.991 -8.439 1.00 38.67 C ATOM 995 O HIS A 115 52.748 61.294 -7.346 1.00 37.32 O ATOM 996 CB HIS A 115 54.452 61.229 -9.685 1.00 31.46 C ATOM 997 CG HIS A 115 54.952 59.866 -9.318 1.00 45.97 C ATOM 998 ND1 HIS A 115 54.372 58.705 -9.786 1.00 55.18 N ATOM 999 CD2 HIS A 115 55.988 59.478 -8.534 1.00 46.35 C ATOM 1000 CE1 HIS A 115 55.020 57.661 -9.295 1.00 51.65 C ATOM 1001 NE2 HIS A 115 56.005 58.103 -8.533 1.00 44.99 N ATOM 1002 H HIS A 115 53.163 63.491 -9.813 1.00 0.00 H ATOM 1003 N GLY A 116 51.090 60.369 -8.551 1.00 35.98 N ATOM 1004 CA GLY A 116 50.178 60.270 -7.439 1.00 34.20 C ATOM 1005 C GLY A 116 49.697 58.852 -7.226 1.00 36.19 C ATOM 1006 O GLY A 116 50.031 57.932 -7.975 1.00 31.08 O ATOM 1007 H GLY A 116 50.827 59.943 -9.463 1.00 0.00 H ATOM 1008 N GLN A 117 48.923 58.707 -6.155 1.00 31.39 N ATOM 1009 CA GLN A 117 48.258 57.470 -5.799 1.00 36.67 C ATOM 1010 C GLN A 117 46.865 57.849 -5.336 1.00 40.45 C ATOM 1011 O GLN A 117 46.701 58.776 -4.540 1.00 38.61 O ATOM 1012 CB GLN A 117 49.010 56.713 -4.700 1.00 38.25 C ATOM 1013 CG GLN A 117 48.409 55.371 -4.377 1.00 39.85 C ATOM 1014 CD GLN A 117 49.291 54.539 -3.463 1.00 43.43 C ATOM 1015 OE1 GLN A 117 50.435 54.903 -3.180 1.00 44.32 O ATOM 1016 NE2 GLN A 117 48.767 53.407 -3.006 1.00 48.84 N ATOM 1017 HE22 GLN A 117 47.798 53.139 -3.270 1.00 0.00 H ATOM 1018 HE21 GLN A 117 49.326 52.789 -2.384 1.00 0.00 H ATOM 1019 H GLN A 117 48.787 59.531 -5.535 1.00 0.00 H ATOM 1020 N SER A 118 45.871 57.171 -5.870 1.00 42.87 N ATOM 1021 CA SER A 118 44.494 57.459 -5.532 1.00 43.62 C ATOM 1022 C SER A 118 44.078 56.647 -4.312 1.00 42.02 C ATOM 1023 O SER A 118 44.761 55.712 -3.889 1.00 40.92 O ATOM 1024 CB SER A 118 43.599 57.158 -6.729 1.00 42.83 C ATOM 1025 OG SER A 118 44.064 56.000 -7.398 1.00 49.71 O ATOM 1026 HG SER A 118 44.991 56.151 -7.712 1.00 0.00 H ATOM 1027 H SER A 118 46.080 56.412 -6.550 1.00 0.00 H ATOM 1028 N GLY A 119 42.948 57.030 -3.734 1.00 38.27 N ATOM 1029 CA GLY A 119 42.382 56.279 -2.632 1.00 36.87 C ATOM 1030 C GLY A 119 40.934 56.647 -2.443 1.00 34.68 C ATOM 1031 O GLY A 119 40.480 57.704 -2.892 1.00 39.23 O ATOM 1032 H GLY A 119 42.461 57.882 -4.077 1.00 0.00 H ATOM 1033 N MET A 120 40.204 55.754 -1.778 1.00 49.14 N ATOM 1034 CA MET A 120 38.822 56.003 -1.394 1.00 44.84 C ATOM 1035 C MET A 120 38.765 56.304 0.096 1.00 45.90 C ATOM 1036 O MET A 120 39.501 55.707 0.887 1.00 53.80 O ATOM 1037 CB MET A 120 37.931 54.800 -1.710 1.00 32.08 C ATOM 1038 H MET A 120 40.638 54.844 -1.523 1.00 0.00 H ATOM 1039 N LEU A 121 37.880 57.224 0.474 1.00 45.68 N ATOM 1040 CA LEU A 121 37.689 57.560 1.874 1.00 64.93 C ATOM 1041 C LEU A 121 36.869 56.475 2.568 1.00 59.76 C ATOM 1042 O LEU A 121 36.278 55.598 1.931 1.00 60.06 O ATOM 1043 CB LEU A 121 37.005 58.922 2.019 1.00 61.29 C ATOM 1044 CG LEU A 121 37.770 60.147 1.501 1.00 56.74 C ATOM 1045 CD1 LEU A 121 36.989 61.422 1.774 1.00 56.30 C ATOM 1046 CD2 LEU A 121 39.151 60.244 2.117 1.00 56.71 C ATOM 1047 H LEU A 121 37.313 57.712 -0.249 1.00 0.00 H ATOM 1048 N LEU A 122 36.849 56.544 3.894 1.00 60.59 N ATOM 1049 CA LEU A 122 36.129 55.578 4.721 1.00 58.11 C ATOM 1050 C LEU A 122 35.633 56.237 6.000 1.00 51.55 C ATOM 1051 O LEU A 122 34.502 56.722 6.060 1.00 71.23 O ATOM 1052 CB LEU A 122 37.025 54.384 5.056 1.00 53.08 C ATOM 1053 H LEU A 122 37.366 57.316 4.362 1.00 0.00 H TER 1054 LEU A 122 ATOM 1055 N ASP A 131 31.131 61.069 5.184 1.00 51.72 N ATOM 1056 CA ASP A 131 30.839 62.047 6.231 1.00 59.03 C ATOM 1057 C ASP A 131 31.852 63.198 6.252 1.00 54.71 C ATOM 1058 O ASP A 131 31.503 64.327 6.593 1.00 50.10 O ATOM 1059 CB ASP A 131 30.808 61.364 7.603 1.00 50.27 C ATOM 1060 HN3 ASP A 131 32.076 60.664 5.343 1.00 0.00 H ATOM 1061 HN2 ASP A 131 31.105 61.538 4.256 1.00 0.00 H ATOM 1062 HN1 ASP A 131 30.419 60.311 5.211 1.00 0.00 H ATOM 1063 N LEU A 132 33.104 62.911 5.892 1.00 52.46 N ATOM 1064 CA LEU A 132 34.175 63.895 5.973 1.00 48.83 C ATOM 1065 C LEU A 132 34.996 63.854 4.697 1.00 52.67 C ATOM 1066 O LEU A 132 35.120 62.807 4.058 1.00 64.98 O ATOM 1067 CB LEU A 132 35.097 63.634 7.166 1.00 50.46 C ATOM 1068 CG LEU A 132 34.439 63.392 8.520 1.00 57.09 C ATOM 1069 CD1 LEU A 132 35.294 62.420 9.310 1.00 55.57 C ATOM 1070 CD2 LEU A 132 34.239 64.704 9.288 1.00 57.38 C ATOM 1071 H LEU A 132 33.322 61.956 5.543 1.00 0.00 H ATOM 1072 N GLY A 133 35.570 64.998 4.336 1.00 42.94 N ATOM 1073 CA GLY A 133 36.408 65.034 3.158 1.00 43.34 C ATOM 1074 C GLY A 133 37.363 66.206 3.180 1.00 45.33 C ATOM 1075 O GLY A 133 37.338 67.041 4.086 1.00 36.09 O ATOM 1076 H GLY A 133 35.417 65.860 4.897 1.00 0.00 H ATOM 1077 N THR A 134 38.199 66.264 2.143 1.00 40.30 N ATOM 1078 CA THR A 134 39.278 67.232 2.062 1.00 35.83 C ATOM 1079 C THR A 134 38.782 68.521 1.428 1.00 38.55 C ATOM 1080 O THR A 134 37.847 68.520 0.630 1.00 46.38 O ATOM 1081 CB THR A 134 40.449 66.672 1.255 1.00 40.37 C ATOM 1082 OG1 THR A 134 40.007 66.313 -0.064 1.00 44.96 O ATOM 1083 CG2 THR A 134 41.031 65.457 1.944 1.00 30.07 C ATOM 1084 HG1 THR A 134 39.649 67.115 -0.521 1.00 0.00 H ATOM 1085 H THR A 134 38.073 65.589 1.362 1.00 0.00 H ATOM 1086 N ILE A 135 39.418 69.621 1.803 1.00 34.17 N ATOM 1087 CA ILE A 135 39.066 70.945 1.302 1.00 28.06 C ATOM 1088 C ILE A 135 40.311 71.542 0.667 1.00 40.41 C ATOM 1089 O ILE A 135 41.429 71.031 0.857 1.00 39.67 O ATOM 1090 CB ILE A 135 38.507 71.852 2.421 1.00 39.35 C ATOM 1091 CG1 ILE A 135 39.533 72.024 3.550 1.00 39.15 C ATOM 1092 CG2 ILE A 135 37.216 71.261 2.986 1.00 45.59 C ATOM 1093 CD1 ILE A 135 39.211 73.143 4.487 1.00 36.32 C ATOM 1094 H ILE A 135 40.201 69.537 2.483 1.00 0.00 H ATOM 1095 N PRO A 136 40.163 72.603 -0.125 1.00 42.93 N ATOM 1096 CA PRO A 136 41.342 73.388 -0.488 1.00 41.49 C ATOM 1097 C PRO A 136 41.910 74.027 0.765 1.00 45.11 C ATOM 1098 O PRO A 136 41.177 74.570 1.595 1.00 56.88 O ATOM 1099 CB PRO A 136 40.793 74.428 -1.465 1.00 47.30 C ATOM 1100 CG PRO A 136 39.370 74.576 -1.074 1.00 49.76 C ATOM 1101 CD PRO A 136 38.930 73.200 -0.674 1.00 44.90 C ATOM 1102 N GLY A 137 43.227 73.954 0.908 1.00 48.30 N ATOM 1103 CA GLY A 137 43.893 74.270 2.151 1.00 37.55 C ATOM 1104 C GLY A 137 44.484 73.050 2.826 1.00 30.42 C ATOM 1105 O GLY A 137 45.473 73.177 3.557 1.00 29.52 O ATOM 1106 H GLY A 137 43.802 73.658 0.094 1.00 0.00 H ATOM 1107 N ASP A 138 43.911 71.869 2.576 1.00 30.46 N ATOM 1108 CA ASP A 138 44.432 70.610 3.092 1.00 24.83 C ATOM 1109 C ASP A 138 45.630 70.079 2.321 1.00 27.03 C ATOM 1110 O ASP A 138 46.170 69.038 2.707 1.00 25.29 O ATOM 1111 CB ASP A 138 43.339 69.544 3.073 1.00 27.48 C ATOM 1112 CG ASP A 138 42.227 69.841 4.047 1.00 28.20 C ATOM 1113 OD1 ASP A 138 42.404 70.759 4.873 1.00 28.04 O ATOM 1114 OD2 ASP A 138 41.191 69.153 3.992 1.00 31.98 O ATOM 1115 H ASP A 138 43.054 71.848 1.986 1.00 0.00 H ATOM 1116 N CYS A 139 46.052 70.728 1.241 1.00 23.55 N ATOM 1117 CA CYS A 139 47.119 70.153 0.441 1.00 22.00 C ATOM 1118 C CYS A 139 48.448 70.234 1.179 1.00 27.93 C ATOM 1119 O CYS A 139 48.755 71.224 1.854 1.00 23.16 O ATOM 1120 CB CYS A 139 47.203 70.840 -0.919 1.00 28.60 C ATOM 1121 SG CYS A 139 46.085 70.085 -2.146 1.00 29.00 S ATOM 1122 H CYS A 139 45.623 71.637 0.972 1.00 0.00 H ATOM 1123 N GLY A 140 49.226 69.162 1.058 1.00 24.38 N ATOM 1124 CA GLY A 140 50.454 68.988 1.791 1.00 26.74 C ATOM 1125 C GLY A 140 50.319 68.100 3.007 1.00 25.68 C ATOM 1126 O GLY A 140 51.340 67.668 3.547 1.00 20.05 O ATOM 1127 H GLY A 140 48.933 68.411 0.401 1.00 0.00 H ATOM 1128 N ALA A 141 49.095 67.820 3.446 1.00 23.03 N ATOM 1129 CA ALA A 141 48.895 66.964 4.602 1.00 29.70 C ATOM 1130 C ALA A 141 49.360 65.541 4.292 1.00 32.69 C ATOM 1131 O ALA A 141 49.116 65.027 3.197 1.00 25.83 O ATOM 1132 CB ALA A 141 47.428 66.947 5.025 1.00 22.08 C ATOM 1133 H ALA A 141 48.270 68.220 2.955 1.00 0.00 H ATOM 1134 N PRO A 142 50.002 64.873 5.241 1.00 31.49 N ATOM 1135 CA PRO A 142 50.648 63.597 4.934 1.00 24.46 C ATOM 1136 C PRO A 142 49.683 62.425 4.953 1.00 25.90 C ATOM 1137 O PRO A 142 48.689 62.409 5.676 1.00 27.74 O ATOM 1138 CB PRO A 142 51.690 63.468 6.050 1.00 29.84 C ATOM 1139 CG PRO A 142 50.997 64.120 7.244 1.00 28.45 C ATOM 1140 CD PRO A 142 50.225 65.283 6.644 1.00 37.11 C ATOM 1141 N TYR A 143 49.989 61.443 4.114 1.00 34.86 N ATOM 1142 CA TYR A 143 49.366 60.130 4.174 1.00 37.80 C ATOM 1143 C TYR A 143 50.336 59.207 4.901 1.00 33.78 C ATOM 1144 O TYR A 143 51.514 59.143 4.539 1.00 31.41 O ATOM 1145 CB TYR A 143 49.068 59.587 2.775 1.00 37.56 C ATOM 1146 CG TYR A 143 47.961 60.289 2.014 1.00 41.06 C ATOM 1147 CD1 TYR A 143 47.899 61.681 1.924 1.00 33.57 C ATOM 1148 CD2 TYR A 143 46.987 59.552 1.359 1.00 41.30 C ATOM 1149 CE1 TYR A 143 46.880 62.308 1.226 1.00 31.63 C ATOM 1150 CE2 TYR A 143 45.971 60.168 0.662 1.00 39.91 C ATOM 1151 CZ TYR A 143 45.920 61.539 0.590 1.00 38.09 C ATOM 1152 OH TYR A 143 44.903 62.120 -0.130 1.00 30.23 O ATOM 1153 HH TYR A 143 44.995 63.105 -0.093 1.00 0.00 H ATOM 1154 H TYR A 143 50.706 61.620 3.382 1.00 0.00 H ATOM 1155 N VAL A 144 49.853 58.513 5.932 1.00 33.49 N ATOM 1156 CA VAL A 144 50.731 57.724 6.791 1.00 38.89 C ATOM 1157 C VAL A 144 50.088 56.385 7.118 1.00 34.54 C ATOM 1158 O VAL A 144 48.862 56.248 7.156 1.00 33.21 O ATOM 1159 CB VAL A 144 51.069 58.462 8.113 1.00 29.14 C ATOM 1160 CG1 VAL A 144 51.826 59.751 7.851 1.00 28.34 C ATOM 1161 CG2 VAL A 144 49.809 58.748 8.876 1.00 30.43 C ATOM 1162 H VAL A 144 48.832 58.534 6.128 1.00 0.00 H ATOM 1163 N HIS A 145 50.938 55.398 7.385 1.00 38.05 N ATOM 1164 CA HIS A 145 50.508 54.161 8.021 1.00 44.12 C ATOM 1165 C HIS A 145 51.649 53.670 8.902 1.00 45.79 C ATOM 1166 O HIS A 145 52.806 54.069 8.735 1.00 47.01 O ATOM 1167 CB HIS A 145 50.102 53.098 6.992 1.00 52.10 C ATOM 1168 CG HIS A 145 51.231 52.630 6.132 1.00 52.63 C ATOM 1169 ND1 HIS A 145 51.465 53.135 4.871 1.00 44.97 N ATOM 1170 CD2 HIS A 145 52.199 51.709 6.354 1.00 56.24 C ATOM 1171 CE1 HIS A 145 52.529 52.547 4.355 1.00 52.26 C ATOM 1172 NE2 HIS A 145 52.990 51.674 5.233 1.00 47.27 N ATOM 1173 H HIS A 145 51.940 55.513 7.132 1.00 0.00 H ATOM 1174 N LYS A 146 51.312 52.817 9.864 1.00 52.35 N ATOM 1175 CA LYS A 146 52.303 52.265 10.779 1.00 46.99 C ATOM 1176 C LYS A 146 52.665 50.863 10.326 1.00 50.32 C ATOM 1177 O LYS A 146 51.779 50.050 10.039 1.00 56.30 O ATOM 1178 CB LYS A 146 51.787 52.244 12.221 1.00 56.05 C ATOM 1179 H LYS A 146 50.316 52.536 9.966 1.00 0.00 H ATOM 1180 N ARG A 147 53.962 50.596 10.237 1.00 50.98 N ATOM 1181 CA ARG A 147 54.441 49.278 9.847 1.00 66.03 C ATOM 1182 C ARG A 147 55.064 48.543 11.035 1.00 60.79 C ATOM 1183 O ARG A 147 56.281 48.566 11.215 1.00 58.44 O ATOM 1184 CB ARG A 147 55.457 49.395 8.716 1.00 63.44 C ATOM 1185 CG ARG A 147 55.963 48.050 8.229 1.00 62.47 C ATOM 1186 CD ARG A 147 56.674 48.158 6.902 1.00 70.77 C ATOM 1187 NE ARG A 147 55.810 48.755 5.882 1.00 64.64 N ATOM 1188 CZ ARG A 147 56.163 49.737 5.059 1.00 64.82 C ATOM 1189 NH1 ARG A 147 57.393 50.248 5.099 1.00 54.04 N ATOM 1190 NH2 ARG A 147 55.278 50.194 4.175 1.00 61.30 N ATOM 1191 HE ARG A 147 54.844 48.381 5.795 1.00 0.00 H ATOM 1192 HH12 ARG A 147 57.658 51.016 4.450 1.00 0.00 H ATOM 1193 HH11 ARG A 147 58.088 49.879 5.779 1.00 0.00 H ATOM 1194 HH22 ARG A 147 55.541 50.962 3.525 1.00 0.00 H ATOM 1195 HH21 ARG A 147 54.324 49.783 4.135 1.00 0.00 H ATOM 1196 H ARG A 147 54.651 51.345 10.451 1.00 0.00 H TER 1197 ARG A 147 ATOM 1198 N ASN A 149 56.574 48.407 14.038 1.00 43.17 N ATOM 1199 CA ASN A 149 56.889 49.354 15.104 1.00 61.94 C ATOM 1200 C ASN A 149 57.252 50.723 14.536 1.00 63.81 C ATOM 1201 O ASN A 149 57.879 51.537 15.208 1.00 64.87 O ATOM 1202 CB ASN A 149 58.043 48.828 15.969 1.00 65.75 C ATOM 1203 HN3 ASN A 149 57.400 48.300 13.415 1.00 0.00 H ATOM 1204 HN2 ASN A 149 55.767 48.763 13.487 1.00 0.00 H ATOM 1205 HN1 ASN A 149 56.331 47.486 14.455 1.00 0.00 H ATOM 1206 N ASP A 150 56.853 50.978 13.295 1.00 71.80 N ATOM 1207 CA ASP A 150 57.208 52.208 12.608 1.00 73.29 C ATOM 1208 C ASP A 150 55.954 52.956 12.175 1.00 65.99 C ATOM 1209 O ASP A 150 54.843 52.418 12.183 1.00 60.43 O ATOM 1210 CB ASP A 150 58.090 51.926 11.380 1.00 67.00 C ATOM 1211 H ASP A 150 56.268 50.275 12.800 1.00 0.00 H ATOM 1212 N TRP A 151 56.154 54.226 11.835 1.00 63.92 N ATOM 1213 CA TRP A 151 55.190 55.019 11.086 1.00 51.84 C ATOM 1214 C TRP A 151 55.847 55.392 9.771 1.00 52.50 C ATOM 1215 O TRP A 151 56.977 55.891 9.763 1.00 57.27 O ATOM 1216 CB TRP A 151 54.766 56.283 11.845 1.00 58.38 C ATOM 1217 CG TRP A 151 53.728 56.041 12.903 1.00 53.19 C ATOM 1218 CD1 TRP A 151 53.952 55.772 14.218 1.00 42.36 C ATOM 1219 CD2 TRP A 151 52.305 56.045 12.730 1.00 46.25 C ATOM 1220 NE1 TRP A 151 52.757 55.605 14.877 1.00 38.26 N ATOM 1221 CE2 TRP A 151 51.731 55.770 13.985 1.00 38.98 C ATOM 1222 CE3 TRP A 151 51.464 56.253 11.635 1.00 40.78 C ATOM 1223 CZ2 TRP A 151 50.355 55.699 14.177 1.00 36.30 C ATOM 1224 CZ3 TRP A 151 50.102 56.184 11.828 1.00 38.89 C ATOM 1225 CH2 TRP A 151 49.559 55.914 13.094 1.00 40.27 C ATOM 1226 HE1 TRP A 151 52.650 55.389 15.889 1.00 0.00 H ATOM 1227 H TRP A 151 57.047 54.677 12.119 1.00 0.00 H ATOM 1228 N VAL A 152 55.155 55.124 8.669 1.00 52.91 N ATOM 1229 CA VAL A 152 55.670 55.380 7.330 1.00 48.88 C ATOM 1230 C VAL A 152 54.791 56.438 6.684 1.00 41.49 C ATOM 1231 O VAL A 152 53.560 56.359 6.755 1.00 34.25 O ATOM 1232 CB VAL A 152 55.701 54.102 6.466 1.00 53.20 C ATOM 1233 CG1 VAL A 152 56.116 54.428 5.023 1.00 49.90 C ATOM 1234 CG2 VAL A 152 56.650 53.077 7.061 1.00 48.76 C ATOM 1235 H VAL A 152 54.204 54.714 8.766 1.00 0.00 H ATOM 1236 N VAL A 153 55.426 57.423 6.061 1.00 36.36 N ATOM 1237 CA VAL A 153 54.731 58.419 5.261 1.00 40.43 C ATOM 1238 C VAL A 153 54.969 58.082 3.796 1.00 40.48 C ATOM 1239 O VAL A 153 56.113 57.875 3.371 1.00 37.03 O ATOM 1240 CB VAL A 153 55.208 59.840 5.604 1.00 31.65 C ATOM 1241 CG1 VAL A 153 56.698 59.983 5.363 1.00 34.22 C ATOM 1242 CG2 VAL A 153 54.407 60.869 4.830 1.00 36.65 C ATOM 1243 H VAL A 153 56.460 57.485 6.148 1.00 0.00 H ATOM 1244 N CYS A 154 53.890 57.989 3.034 1.00 39.82 N ATOM 1245 CA CYS A 154 53.979 57.605 1.640 1.00 39.55 C ATOM 1246 C CYS A 154 53.479 58.670 0.683 1.00 36.52 C ATOM 1247 O CYS A 154 53.669 58.516 -0.533 1.00 35.20 O ATOM 1248 CB CYS A 154 53.199 56.305 1.399 1.00 28.52 C ATOM 1249 SG CYS A 154 51.568 56.251 2.156 1.00 49.11 S ATOM 1250 H CYS A 154 52.958 58.196 3.446 1.00 0.00 H ATOM 1251 N GLY A 155 52.868 59.745 1.180 1.00 35.87 N ATOM 1252 CA GLY A 155 52.364 60.771 0.285 1.00 36.15 C ATOM 1253 C GLY A 155 51.957 62.040 0.996 1.00 31.77 C ATOM 1254 O GLY A 155 51.847 62.098 2.226 1.00 39.29 O ATOM 1255 H GLY A 155 52.752 59.849 2.208 1.00 0.00 H ATOM 1256 N VAL A 156 51.736 63.064 0.176 1.00 24.96 N ATOM 1257 CA VAL A 156 51.250 64.370 0.597 1.00 28.66 C ATOM 1258 C VAL A 156 50.025 64.705 -0.234 1.00 29.32 C ATOM 1259 O VAL A 156 49.987 64.439 -1.441 1.00 34.46 O ATOM 1260 CB VAL A 156 52.321 65.466 0.429 1.00 31.67 C ATOM 1261 CG1 VAL A 156 53.289 65.442 1.596 1.00 28.39 C ATOM 1262 CG2 VAL A 156 53.056 65.286 -0.896 1.00 33.88 C ATOM 1263 H VAL A 156 51.924 62.921 -0.837 1.00 0.00 H ATOM 1264 N HIS A 157 49.039 65.317 0.401 1.00 24.21 N ATOM 1265 CA HIS A 157 47.752 65.510 -0.245 1.00 27.11 C ATOM 1266 C HIS A 157 47.845 66.513 -1.383 1.00 28.98 C ATOM 1267 O HIS A 157 48.427 67.591 -1.237 1.00 23.55 O ATOM 1268 CB HIS A 157 46.729 65.988 0.761 1.00 27.31 C ATOM 1269 CG HIS A 157 45.360 66.124 0.192 1.00 29.41 C ATOM 1270 ND1 HIS A 157 44.687 65.063 -0.371 1.00 28.13 N ATOM 1271 CD2 HIS A 157 44.532 67.190 0.105 1.00 29.79 C ATOM 1272 CE1 HIS A 157 43.500 65.470 -0.782 1.00 37.23 C ATOM 1273 NE2 HIS A 157 43.383 66.757 -0.508 1.00 38.53 N ATOM 1274 H HIS A 157 49.186 65.663 1.371 1.00 0.00 H ATOM 1275 N ALA A 158 47.224 66.166 -2.512 1.00 27.69 N ATOM 1276 CA ALA A 158 47.394 66.935 -3.740 1.00 31.75 C ATOM 1277 C ALA A 158 46.080 67.283 -4.431 1.00 28.40 C ATOM 1278 O ALA A 158 45.976 68.349 -5.048 1.00 28.17 O ATOM 1279 CB ALA A 158 48.287 66.163 -4.708 1.00 23.52 C ATOM 1280 H ALA A 158 46.606 65.330 -2.517 1.00 0.00 H ATOM 1281 N ALA A 159 45.077 66.408 -4.347 1.00 31.35 N ATOM 1282 CA ALA A 159 43.840 66.625 -5.088 1.00 30.81 C ATOM 1283 C ALA A 159 42.733 65.735 -4.542 1.00 34.78 C ATOM 1284 O ALA A 159 42.986 64.713 -3.901 1.00 37.74 O ATOM 1285 CB ALA A 159 44.039 66.348 -6.582 1.00 35.07 C ATOM 1286 H ALA A 159 45.178 65.564 -3.748 1.00 0.00 H ATOM 1287 N ALA A 160 41.496 66.157 -4.796 1.00 40.28 N ATOM 1288 CA ALA A 160 40.319 65.312 -4.650 1.00 38.97 C ATOM 1289 C ALA A 160 39.333 65.662 -5.759 1.00 42.96 C ATOM 1290 O ALA A 160 39.407 66.734 -6.363 1.00 36.80 O ATOM 1291 CB ALA A 160 39.648 65.485 -3.283 1.00 36.39 C ATOM 1292 H ALA A 160 41.364 67.138 -5.114 1.00 0.00 H ATOM 1293 N THR A 161 38.396 64.749 -6.013 1.00 48.55 N ATOM 1294 CA THR A 161 37.370 64.975 -7.024 1.00 54.11 C ATOM 1295 C THR A 161 36.324 65.971 -6.527 1.00 55.28 C ATOM 1296 O THR A 161 36.106 66.135 -5.321 1.00 58.72 O ATOM 1297 CB THR A 161 36.672 63.669 -7.403 1.00 43.38 C ATOM 1298 OG1 THR A 161 36.027 63.119 -6.248 1.00 62.50 O ATOM 1299 CG2 THR A 161 37.667 62.666 -7.953 1.00 41.00 C ATOM 1300 HG1 THR A 161 35.358 63.764 -5.906 1.00 0.00 H ATOM 1301 H THR A 161 38.397 63.857 -5.479 1.00 0.00 H ATOM 1302 N LYS A 162 35.675 66.636 -7.491 1.00 57.46 N ATOM 1303 CA LYS A 162 34.620 67.618 -7.243 1.00 57.96 C ATOM 1304 C LYS A 162 33.719 67.171 -6.100 1.00 55.33 C ATOM 1305 O LYS A 162 33.346 67.971 -5.236 1.00 52.68 O ATOM 1306 CB LYS A 162 33.794 67.838 -8.516 1.00 56.38 C ATOM 1307 H LYS A 162 35.938 66.442 -8.478 1.00 0.00 H ATOM 1308 N SER A 163 33.360 65.890 -6.107 1.00 56.15 N ATOM 1309 CA SER A 163 32.746 65.246 -4.956 1.00 62.27 C ATOM 1310 C SER A 163 33.708 65.275 -3.770 1.00 65.58 C ATOM 1311 O SER A 163 34.266 66.327 -3.434 1.00 63.78 O ATOM 1312 CB SER A 163 32.361 63.810 -5.326 1.00 61.95 C ATOM 1313 OG SER A 163 32.157 63.004 -4.181 1.00 66.42 O ATOM 1314 HG SER A 163 31.911 62.088 -4.464 1.00 0.00 H ATOM 1315 H SER A 163 33.524 65.328 -6.967 1.00 0.00 H ATOM 1316 N GLY A 164 33.895 64.132 -3.121 1.00 61.45 N ATOM 1317 CA GLY A 164 34.964 63.971 -2.160 1.00 66.84 C ATOM 1318 C GLY A 164 35.415 62.528 -2.069 1.00 68.10 C ATOM 1319 O GLY A 164 36.345 62.203 -1.323 1.00 63.74 O ATOM 1320 H GLY A 164 33.257 63.332 -3.308 1.00 0.00 H ATOM 1321 N ASN A 165 34.763 61.654 -2.842 1.00 60.79 N ATOM 1322 CA ASN A 165 34.959 60.218 -2.675 1.00 67.17 C ATOM 1323 C ASN A 165 36.424 59.845 -2.840 1.00 59.31 C ATOM 1324 O ASN A 165 37.002 59.143 -1.999 1.00 59.74 O ATOM 1325 CB ASN A 165 34.092 59.455 -3.680 1.00 67.31 C ATOM 1326 H ASN A 165 34.108 62.002 -3.571 1.00 0.00 H ATOM 1327 N THR A 166 37.046 60.325 -3.910 1.00 50.00 N ATOM 1328 CA THR A 166 38.408 59.960 -4.264 1.00 51.18 C ATOM 1329 C THR A 166 39.350 61.120 -3.980 1.00 45.84 C ATOM 1330 O THR A 166 39.043 62.276 -4.286 1.00 45.62 O ATOM 1331 CB THR A 166 38.494 59.560 -5.738 1.00 49.55 C ATOM 1332 OG1 THR A 166 37.884 58.273 -5.909 1.00 52.32 O ATOM 1333 CG2 THR A 166 39.948 59.508 -6.218 1.00 51.12 C ATOM 1334 HG1 THR A 166 37.936 58.008 -6.861 1.00 0.00 H ATOM 1335 H THR A 166 36.536 60.993 -4.523 1.00 0.00 H ATOM 1336 N VAL A 167 40.500 60.796 -3.399 1.00 36.15 N ATOM 1337 CA VAL A 167 41.547 61.761 -3.120 1.00 29.42 C ATOM 1338 C VAL A 167 42.821 61.249 -3.766 1.00 34.38 C ATOM 1339 O VAL A 167 42.983 60.053 -4.022 1.00 39.73 O ATOM 1340 CB VAL A 167 41.756 61.986 -1.602 1.00 42.27 C ATOM 1341 CG1 VAL A 167 40.537 62.638 -0.982 1.00 38.31 C ATOM 1342 CG2 VAL A 167 42.060 60.669 -0.894 1.00 35.07 C ATOM 1343 H VAL A 167 40.657 59.803 -3.131 1.00 0.00 H ATOM 1344 N VAL A 168 43.734 62.172 -4.033 1.00 31.63 N ATOM 1345 CA VAL A 168 45.036 61.825 -4.576 1.00 32.09 C ATOM 1346 C VAL A 168 46.111 62.421 -3.686 1.00 33.31 C ATOM 1347 O VAL A 168 45.998 63.559 -3.214 1.00 25.70 O ATOM 1348 CB VAL A 168 45.205 62.306 -6.034 1.00 31.18 C ATOM 1349 CG1 VAL A 168 46.622 62.048 -6.524 1.00 29.45 C ATOM 1350 CG2 VAL A 168 44.213 61.594 -6.931 1.00 36.30 C ATOM 1351 H VAL A 168 43.512 63.171 -3.849 1.00 0.00 H ATOM 1352 N CYS A 169 47.152 61.645 -3.462 1.00 30.22 N ATOM 1353 CA CYS A 169 48.354 62.127 -2.830 1.00 29.21 C ATOM 1354 C CYS A 169 49.491 62.012 -3.824 1.00 31.25 C ATOM 1355 O CYS A 169 49.584 61.027 -4.564 1.00 34.27 O ATOM 1356 CB CYS A 169 48.662 61.328 -1.564 1.00 31.49 C ATOM 1357 SG CYS A 169 49.270 59.654 -1.825 1.00 36.97 S ATOM 1358 H CYS A 169 47.104 60.647 -3.752 1.00 0.00 H ATOM 1359 N ALA A 170 50.331 63.034 -3.856 1.00 27.56 N ATOM 1360 CA ALA A 170 51.568 62.966 -4.613 1.00 23.63 C ATOM 1361 C ALA A 170 52.600 62.148 -3.849 1.00 28.78 C ATOM 1362 O ALA A 170 52.713 62.248 -2.619 1.00 34.42 O ATOM 1363 CB ALA A 170 52.102 64.368 -4.893 1.00 28.44 C ATOM 1364 H ALA A 170 50.101 63.901 -3.330 1.00 0.00 H ATOM 1365 N VAL A 171 53.355 61.340 -4.588 1.00 28.12 N ATOM 1366 CA VAL A 171 54.347 60.439 -4.027 1.00 27.08 C ATOM 1367 C VAL A 171 55.703 60.772 -4.631 1.00 36.60 C ATOM 1368 O VAL A 171 55.805 61.388 -5.697 1.00 36.25 O ATOM 1369 CB VAL A 171 53.987 58.964 -4.269 1.00 27.35 C ATOM 1370 CG1 VAL A 171 52.587 58.693 -3.762 1.00 25.38 C ATOM 1371 CG2 VAL A 171 54.117 58.595 -5.774 1.00 35.87 C ATOM 1372 H VAL A 171 53.229 61.354 -5.620 1.00 0.00 H ATOM 1373 N GLN A 172 56.756 60.347 -3.934 1.00 36.84 N ATOM 1374 CA GLN A 172 58.111 60.557 -4.418 1.00 47.07 C ATOM 1375 C GLN A 172 58.465 59.484 -5.448 1.00 53.87 C ATOM 1376 O GLN A 172 57.777 58.466 -5.590 1.00 53.88 O ATOM 1377 CB GLN A 172 59.109 60.541 -3.259 1.00 50.09 C ATOM 1378 CG GLN A 172 60.261 61.538 -3.414 1.00 52.40 C ATOM 1379 CD GLN A 172 61.361 61.353 -2.367 1.00 56.72 C ATOM 1380 OE1 GLN A 172 61.434 60.318 -1.698 1.00 44.93 O ATOM 1381 NE2 GLN A 172 62.228 62.359 -2.231 1.00 48.75 N ATOM 1382 HE22 GLN A 172 62.129 63.213 -2.816 1.00 0.00 H ATOM 1383 HE21 GLN A 172 63.002 62.288 -1.540 1.00 0.00 H ATOM 1384 H GLN A 172 56.606 59.857 -3.029 1.00 0.00 H ATOM 1385 N ALA A 173 59.547 59.728 -6.182 1.00 50.91 N ATOM 1386 CA ALA A 173 60.030 58.777 -7.180 1.00 57.88 C ATOM 1387 C ALA A 173 61.370 58.179 -6.763 1.00 53.98 C ATOM 1388 O ALA A 173 62.420 58.790 -6.969 1.00 57.06 O ATOM 1389 CB ALA A 173 60.153 59.454 -8.532 1.00 58.97 C ATOM 1390 H ALA A 173 60.063 60.620 -6.042 1.00 0.00 H TER 1391 ALA A 173 HETATM 1392 O HOH 1 53.851 82.027 -3.944 1.00 52.93 O HETATM 1393 O HOH 2 36.162 67.648 6.039 1.00 32.32 O HETATM 1394 O HOH 3 50.329 73.161 13.885 1.00 23.95 O HETATM 1395 O HOH 4 60.097 58.117 -1.661 1.00 44.78 O HETATM 1396 O HOH 5 56.313 59.561 -1.495 1.00 28.39 O HETATM 1397 O HOH 6 53.811 61.719 21.381 1.00 37.66 O HETATM 1398 O HOH 7 41.434 49.186 0.486 1.00 46.91 O HETATM 1399 O HOH 8 49.597 51.049 -7.804 1.00 43.11 O HETATM 1400 O HOH 9 64.334 74.069 15.936 1.00 36.46 O HETATM 1401 O HOH 10 46.424 71.768 15.724 1.00 20.16 O HETATM 1402 O HOH 11 45.875 73.813 0.039 1.00 32.72 O HETATM 1403 O HOH 12 43.783 72.807 6.218 1.00 22.47 O HETATM 1404 O HOH 13 37.397 65.434 -0.745 1.00 51.59 O HETATM 1405 O HOH 14 46.225 69.822 6.735 1.00 31.08 O HETATM 1406 O HOH 15 51.663 74.612 12.020 1.00 24.09 O HETATM 1407 O HOH 16 50.609 55.874 -15.073 1.00 35.18 O HETATM 1408 O HOH 17 57.679 55.751 -7.163 1.00 46.50 O HETATM 1409 O HOH 18 46.311 75.399 12.964 1.00 29.45 O HETATM 1410 O HOH 19 50.320 69.429 16.954 1.00 14.73 O HETATM 1411 O HOH 20 56.265 60.661 15.866 1.00 37.50 O HETATM 1412 O HOH 21 51.943 54.370 17.946 1.00 40.68 O HETATM 1413 O HOH 22 47.924 73.510 14.441 1.00 20.97 O HETATM 1414 C26 MOL A 23 40.001 67.423 -10.131 1.00 0.32 C HETATM 1415 O27 MOL A 23 40.417 67.965 -11.107 1.00 -0.38 O HETATM 1416 O35 MOL A 23 39.443 66.108 -10.249 1.00 -0.25 O HETATM 1417 C1 MOL A 23 40.160 65.093 -9.563 1.00 0.11 C HETATM 1418 C2 MOL A 23 40.860 64.197 -10.613 1.00 -0.01 C HETATM 1419 C3 MOL A 23 40.816 64.530 -11.965 1.00 -0.06 C HETATM 1420 C4 MOL A 23 41.459 63.727 -12.913 1.00 -0.07 C HETATM 1421 C5 MOL A 23 42.152 62.598 -12.501 1.00 -0.07 C HETATM 1422 C6 MOL A 23 42.199 62.268 -11.143 1.00 -0.07 C HETATM 1423 C7 MOL A 23 41.554 63.067 -10.204 1.00 -0.06 C HETATM 1424 H7 MOL A 23 41.594 62.807 -9.152 1.00 0.06 H HETATM 1425 H6 MOL A 23 42.740 61.386 -10.820 1.00 0.06 H HETATM 1426 H5 MOL A 23 42.656 61.973 -13.230 1.00 0.06 H HETATM 1427 H4 MOL A 23 41.416 63.986 -13.965 1.00 0.06 H HETATM 1428 H3 MOL A 23 40.280 65.417 -12.284 1.00 0.06 H HETATM 1429 H1 MOL A 23 39.465 64.488 -8.962 1.00 0.08 H HETATM 1430 H2 MOL A 23 40.912 65.550 -8.904 1.00 0.08 H HETATM 1431 N25 MOL A 23 40.083 68.138 -8.820 1.00 -0.24 N HETATM 1432 C24 MOL A 23 40.772 69.431 -8.769 1.00 0.14 C HETATM 1433 C23 MOL A 23 39.804 70.574 -8.470 1.00 0.02 C HETATM 1434 C22 MOL A 23 38.771 70.264 -7.355 1.00 0.04 C HETATM 1435 C21 MOL A 23 38.391 71.027 -6.173 1.00 0.07 C HETATM 1436 N20 MOL A 23 37.439 70.390 -5.448 1.00 -0.18 N HETATM 1437 C19 MOL A 23 36.783 70.803 -4.213 1.00 0.08 C HETATM 1438 C18 MOL A 23 37.071 69.784 -3.143 1.00 -0.00 C HETATM 1439 C17 MOL A 23 38.437 70.121 -2.505 1.00 0.03 C HETATM 1440 N16 MOL A 23 39.129 68.923 -2.040 1.00 -0.29 N HETATM 1441 C15 MOL A 23 40.587 68.892 -2.036 1.00 0.18 C HETATM 1442 C14 MOL A 23 41.413 70.111 -2.543 1.00 0.04 C HETATM 1443 C13 MOL A 23 42.927 69.883 -2.507 1.00 -0.01 C HETATM 1444 C03 MOL A 23 43.729 71.007 -3.185 1.00 0.07 C HETATM 1445 N04 MOL A 23 44.234 70.508 -4.472 1.00 -0.28 N HETATM 1446 C05 MOL A 23 43.599 70.948 -5.719 1.00 0.20 C HETATM 1447 C06 MOL A 23 44.149 70.384 -7.030 1.00 0.13 C HETATM 1448 N11 MOL A 23 43.044 70.316 -7.977 1.00 -0.26 N HETATM 1449 C36 MOL A 23 41.888 69.437 -7.716 1.00 0.21 C HETATM 1450 O37 MOL A 23 41.840 68.771 -6.728 1.00 -0.39 O HETATM 1451 H20 MOL A 23 43.069 70.869 -8.810 1.00 0.19 H HETATM 1452 C07 MOL A 23 45.262 71.262 -7.573 1.00 -0.01 C HETATM 1453 C08 MOL A 23 45.935 70.632 -8.832 1.00 -0.04 C HETATM 1454 C10 MOL A 23 46.579 69.276 -8.574 1.00 -0.06 C HETATM 1455 H25 MOL A 23 47.029 68.901 -9.505 1.00 0.02 H HETATM 1456 H26 MOL A 23 45.814 68.567 -8.225 1.00 0.02 H HETATM 1457 H27 MOL A 23 47.359 69.381 -7.806 1.00 0.02 H HETATM 1458 C09 MOL A 23 46.959 71.596 -9.407 1.00 -0.06 C HETATM 1459 H28 MOL A 23 46.483 72.571 -9.589 1.00 0.02 H HETATM 1460 H29 MOL A 23 47.348 71.195 -10.355 1.00 0.02 H HETATM 1461 H30 MOL A 23 47.787 71.720 -8.694 1.00 0.02 H HETATM 1462 H24 MOL A 23 45.147 70.482 -9.585 1.00 0.03 H HETATM 1463 H22 MOL A 23 46.024 71.395 -6.791 1.00 0.03 H HETATM 1464 H23 MOL A 23 44.842 72.241 -7.846 1.00 0.03 H HETATM 1465 H21 MOL A 23 44.547 69.373 -6.856 1.00 0.08 H HETATM 1466 O12 MOL A 23 42.672 71.699 -5.717 1.00 -0.39 O HETATM 1467 H31 MOL A 23 45.006 69.873 -4.497 1.00 0.19 H HETATM 1468 C02 MOL A 23 44.882 71.424 -2.288 1.00 0.07 C HETATM 1469 O01 MOL A 23 45.552 72.497 -2.897 1.00 -0.39 O HETATM 1470 H39 MOL A 23 45.882 72.223 -3.745 1.00 0.21 H HETATM 1471 H37 MOL A 23 45.575 70.580 -2.157 1.00 0.06 H HETATM 1472 H38 MOL A 23 44.495 71.737 -1.307 1.00 0.06 H HETATM 1473 H32 MOL A 23 43.075 71.874 -3.360 1.00 0.06 H HETATM 1474 H33 MOL A 23 43.244 69.813 -1.456 1.00 0.03 H HETATM 1475 H34 MOL A 23 43.150 68.936 -3.021 1.00 0.03 H HETATM 1476 H35 MOL A 23 41.118 70.323 -3.581 1.00 0.05 H HETATM 1477 H36 MOL A 23 41.177 70.979 -1.910 1.00 0.05 H HETATM 1478 O40 MOL A 23 41.122 67.908 -1.648 1.00 -0.40 O HETATM 1479 H8 MOL A 23 38.607 68.129 -1.726 1.00 0.18 H HETATM 1480 H9 MOL A 23 39.065 70.626 -3.254 1.00 0.05 H HETATM 1481 H10 MOL A 23 38.274 70.793 -1.649 1.00 0.05 H HETATM 1482 H11 MOL A 23 36.284 69.818 -2.376 1.00 0.03 H HETATM 1483 H12 MOL A 23 37.106 68.778 -3.587 1.00 0.03 H HETATM 1484 H13 MOL A 23 37.168 71.785 -3.901 1.00 0.06 H HETATM 1485 H14 MOL A 23 35.697 70.870 -4.376 1.00 0.06 H HETATM 1486 N39 MOL A 23 37.224 69.276 -6.119 1.00 -0.10 N HETATM 1487 N38 MOL A 23 37.989 69.200 -7.222 1.00 -0.23 N HETATM 1488 H15 MOL A 23 38.820 71.992 -5.905 1.00 0.09 H HETATM 1489 H16 MOL A 23 40.392 71.451 -8.160 1.00 0.04 H HETATM 1490 H17 MOL A 23 39.254 70.809 -9.393 1.00 0.04 H HETATM 1491 H18 MOL A 23 41.225 69.610 -9.755 1.00 0.08 H HETATM 1492 H19 MOL A 23 39.677 67.743 -7.996 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 329 330 334 335 336 CONECT 334 329 CONECT 335 329 CONECT 336 329 CONECT 1055 1056 1060 1061 1062 CONECT 1060 1055 CONECT 1061 1055 CONECT 1062 1055 CONECT 1198 1199 1203 1204 1205 CONECT 1203 1198 CONECT 1204 1198 CONECT 1205 1198 CONECT 1414 1415 1416 1431 CONECT 1415 1414 CONECT 1416 1414 1417 CONECT 1417 1416 1418 1429 1430 CONECT 1418 1417 1419 1423 CONECT 1419 1418 1420 1428 CONECT 1420 1419 1421 1427 CONECT 1421 1420 1422 1426 CONECT 1422 1421 1423 1425 CONECT 1423 1418 1422 1424 CONECT 1424 1423 CONECT 1425 1422 CONECT 1426 1421 CONECT 1427 1420 CONECT 1428 1419 CONECT 1429 1417 CONECT 1430 1417 CONECT 1431 1414 1432 1492 CONECT 1432 1431 1433 1449 1491 CONECT 1433 1432 1434 1489 1490 CONECT 1434 1433 1435 1487 CONECT 1435 1434 1436 1488 CONECT 1436 1435 1437 1486 CONECT 1437 1436 1438 1484 1485 CONECT 1438 1437 1439 1482 1483 CONECT 1439 1438 1440 1480 1481 CONECT 1440 1439 1441 1479 CONECT 1441 1440 1442 1478 CONECT 1442 1441 1443 1476 1477 CONECT 1443 1442 1444 1474 1475 CONECT 1444 1443 1445 1468 1473 CONECT 1445 1444 1446 1467 CONECT 1446 1445 1447 1466 CONECT 1447 1446 1448 1452 1465 CONECT 1448 1447 1449 1451 CONECT 1449 1432 1448 1450 CONECT 1450 1449 CONECT 1451 1448 CONECT 1452 1447 1453 1463 1464 CONECT 1453 1452 1454 1458 1462 CONECT 1454 1453 1455 1456 1457 CONECT 1455 1454 CONECT 1456 1454 CONECT 1457 1454 CONECT 1458 1453 1459 1460 1461 CONECT 1459 1458 CONECT 1460 1458 CONECT 1461 1458 CONECT 1462 1453 CONECT 1463 1452 CONECT 1464 1452 CONECT 1465 1447 CONECT 1466 1446 CONECT 1467 1445 CONECT 1468 1444 1469 1471 1472 CONECT 1469 1468 1470 CONECT 1470 1469 CONECT 1471 1468 CONECT 1472 1468 CONECT 1473 1444 CONECT 1474 1443 CONECT 1475 1443 CONECT 1476 1442 CONECT 1477 1442 CONECT 1478 1441 CONECT 1479 1440 CONECT 1480 1439 CONECT 1481 1439 CONECT 1482 1438 CONECT 1483 1438 CONECT 1484 1437 CONECT 1485 1437 CONECT 1486 1436 1487 CONECT 1487 1434 1486 CONECT 1488 1435 CONECT 1489 1433 CONECT 1490 1433 CONECT 1491 1432 CONECT 1492 1431 MASTER 0 0 0 0 0 0 0 0 1488 4 95 14 END
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Related entries of code: 6bic
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3ur9
RCSB PDB
PDBbind
188aa, >3UR9_1|Chains... *
4imq
RCSB PDB
PDBbind
183aa, >4IMQ_1|Chain... at 98%
4imz
RCSB PDB
PDBbind
183aa, >4IMZ_1|Chain... at 98%
4inh
RCSB PDB
PDBbind
185aa, >4INH_1|Chains... at 97%
4xbb
RCSB PDB
PDBbind
188aa, >4XBB_1|Chain... at 100%
4xbd
RCSB PDB
PDBbind
188aa, >4XBD_1|Chains... at 100%
5dg6
RCSB PDB
PDBbind
188aa, >5DG6_1|Chains... at 98%
5dgj
RCSB PDB
PDBbind
188aa, >5DGJ_1|Chain... at 98%
5e0g
RCSB PDB
PDBbind
188aa, >5E0G_1|Chain... at 98%
5e0h
RCSB PDB
PDBbind
188aa, >5E0H_1|Chains... at 98%
5e0j
RCSB PDB
PDBbind
188aa, >5E0J_1|Chain... at 98%
5t6f
RCSB PDB
PDBbind
188aa, >5T6F_1|Chains... at 98%
5t6g
RCSB PDB
PDBbind
188aa, >5T6G_1|Chains... at 98%
5tg1
RCSB PDB
PDBbind
188aa, >5TG1_1|Chain... at 98%
5tg2
RCSB PDB
PDBbind
188aa, >5TG2_1|Chain... at 98%
5wej
RCSB PDB
PDBbind
188aa, >5WEJ_1|Chains... at 98%
6bid
RCSB PDB
PDBbind
188aa, >6BID_1|Chain... at 98%
6bib
RCSB PDB
PDBbind
188aa, >6BIB_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5e0h
RCSB PDB
PDBbind
5LH
Entry Information
PDB ID
6bic
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
3C-like protease
Ligand Name
5LH
EC.Number
E.C.3.4.22.66 ;3.6.1.15;2.7.7.48
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
IC50=2.4uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Proteins Vol. 87: pp. 579-587
Ligand Properties
Formula
C
2
7
H
3
9
N
7
O
6
Molecular Weight
557.642
Exact Mass
557.296
No. of atoms
79
No. of bonds
81
Polar Surface Area
176.57
LOGP Value
0.70 (
Computed with XLOGP3
)
1.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
OC[C@@H]1CCC(=O)NCCCn2nnc(C[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)NC(=O)OCc1ccccc1)c2
InChI String
InChI=1S/C27H39N7O6/c1-18(2)13-22-25(37)29-20(16-35)9-10-24(36)28-11-6-12-34-15-21(32-33-34)14-23(26(38)30-22)31-27(39)40-17-19-7-4-3-5-8-19/h3-5,7-8,15,18,20,22-23,35H,6,9-14,16-17H2,1-2H3,(H,28,36)(H,29,37)(H,30,38)(H,31,39)/t20-,22-,23-/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):
Q83883
Entrez Gene ID
NCBI Entrez Gene ID:
1491970
ASD
Information of known allosteric effects of PDB entries
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