Browse entries in the PDBbind-CN Database
HEADER 6D1A_COMPLEX COMPND 6D1A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 229 GLY ASP GLN ARG PHE GLY ASP LEU VAL PHE ARG GLN LEU SEQRES 2 A 229 ALA PRO ASN VAL TRP GLN HIS THR SER TYR LEU ASP MET SEQRES 3 A 229 PRO GLY PHE GLY ALA VAL ALA SER ASN GLY LEU ILE VAL SEQRES 4 A 229 ARG ASP GLY GLY ARG VAL LEU VAL VAL ASP THR ALA TRP SEQRES 5 A 229 THR ASP ASP GLN THR ALA GLN ILE LEU ASN TRP ILE LYS SEQRES 6 A 229 GLN GLU ILE ASN LEU PRO VAL ALA LEU ALA VAL VAL THR SEQRES 7 A 229 HIS ALA HIS GLN ASP LYS MET GLY GLY MET ASP ALA LEU SEQRES 8 A 229 HIS ALA ALA GLY ILE ALA THR TYR ALA ASN ALA LEU SER SEQRES 9 A 229 ASN GLN LEU ALA PRO GLN GLU GLY MET VAL ALA ALA GLN SEQRES 10 A 229 HIS SER LEU THR PHE ALA ALA ASN GLY TRP VAL GLU PRO SEQRES 11 A 229 ALA THR ALA PRO ASN PHE GLY PRO LEU LYS VAL PHE TYR SEQRES 12 A 229 PRO GLY PRO GLY HIS THR SER ASP ASN ILE THR VAL GLY SEQRES 13 A 229 ILE ASP GLY THR ASP ILE ALA PHE GLY GLY CYS LEU ILE SEQRES 14 A 229 LYS ASP SER LYS ALA LYS SER LEU GLY ASN LEU GLY ASP SEQRES 15 A 229 ALA ASP THR GLU HIS TYR ALA ALA SER ALA ARG ALA PHE SEQRES 16 A 229 GLY ALA ALA PHE PRO LYS ALA SER MET ILE VAL MET SER SEQRES 17 A 229 HIS SER ALA PRO ASP SER ARG ALA ALA ILE THR HIS THR SEQRES 18 A 229 ALA ARG MET ALA ASP LYS LEU ARG HET ZN A 1 1 HET ZN A 2 1 HET TWB A 491 29 ATOM 1 N GLY A 42 45.525 2.304 71.216 1.00 40.64 N ATOM 2 CA GLY A 42 45.389 1.767 69.874 1.00 39.01 C ATOM 3 C GLY A 42 46.556 2.095 68.960 1.00 37.02 C ATOM 4 O GLY A 42 47.142 1.209 68.338 1.00 37.76 O ATOM 5 HN3 GLY A 42 45.598 3.340 71.168 1.00 0.00 H ATOM 6 HN2 GLY A 42 46.382 1.915 71.658 1.00 0.00 H ATOM 7 HN1 GLY A 42 44.692 2.040 71.780 1.00 0.00 H ATOM 8 N ASP A 43 46.896 3.376 68.869 1.00 33.91 N ATOM 9 CA ASP A 43 48.003 3.817 68.031 1.00 31.43 C ATOM 10 C ASP A 43 49.291 3.828 68.843 1.00 28.68 C ATOM 11 O ASP A 43 49.330 4.363 69.958 1.00 32.55 O ATOM 12 CB ASP A 43 47.731 5.212 67.469 1.00 32.99 C ATOM 13 CG ASP A 43 46.668 5.211 66.385 1.00 35.77 C ATOM 14 OD1 ASP A 43 46.426 4.146 65.781 1.00 35.12 O ATOM 15 OD2 ASP A 43 46.063 6.278 66.146 1.00 38.62 O ATOM 16 H ASP A 43 46.358 4.082 69.410 1.00 0.00 H ATOM 17 N GLN A 44 50.347 3.257 68.278 1.00 25.13 N ATOM 18 CA GLN A 44 51.662 3.227 68.902 1.00 22.70 C ATOM 19 C GLN A 44 52.610 4.116 68.109 1.00 20.23 C ATOM 20 O GLN A 44 52.881 3.848 66.934 1.00 19.97 O ATOM 21 CB GLN A 44 52.204 1.801 68.955 1.00 23.04 C ATOM 22 CG GLN A 44 53.630 1.734 69.456 1.00 23.45 C ATOM 23 CD GLN A 44 54.288 0.403 69.175 1.00 23.15 C ATOM 24 OE1 GLN A 44 53.679 -0.499 68.595 1.00 23.86 O ATOM 25 NE2 GLN A 44 55.547 0.275 69.576 1.00 23.67 N ATOM 26 HE22 GLN A 44 56.021 1.063 70.062 1.00 0.00 H ATOM 27 HE21 GLN A 44 56.060 -0.613 69.404 1.00 0.00 H ATOM 28 H GLN A 44 50.230 2.810 67.346 1.00 0.00 H ATOM 29 N ARG A 45 53.108 5.169 68.747 1.00 18.62 N ATOM 30 CA ARG A 45 54.045 6.071 68.101 1.00 18.22 C ATOM 31 C ARG A 45 55.444 5.489 68.238 1.00 17.80 C ATOM 32 O ARG A 45 55.855 5.078 69.327 1.00 20.93 O ATOM 33 CB ARG A 45 53.969 7.454 68.743 1.00 18.14 C ATOM 34 CG ARG A 45 52.562 8.036 68.734 1.00 18.92 C ATOM 35 CD ARG A 45 52.552 9.470 69.232 1.00 18.71 C ATOM 36 NE ARG A 45 52.957 9.575 70.633 1.00 18.55 N ATOM 37 CZ ARG A 45 52.120 9.502 71.663 1.00 19.51 C ATOM 38 NH1 ARG A 45 52.587 9.629 72.899 1.00 18.59 N ATOM 39 NH2 ARG A 45 50.816 9.325 71.464 1.00 20.24 N ATOM 40 HE ARG A 45 53.967 9.716 70.837 1.00 0.00 H ATOM 41 HH12 ARG A 45 51.937 9.573 73.709 1.00 0.00 H ATOM 42 HH11 ARG A 45 53.603 9.785 73.058 1.00 0.00 H ATOM 43 HH22 ARG A 45 50.169 9.269 72.276 1.00 0.00 H ATOM 44 HH21 ARG A 45 50.444 9.243 70.496 1.00 0.00 H ATOM 45 H ARG A 45 52.821 5.351 69.730 1.00 0.00 H ATOM 46 N PHE A 46 56.155 5.408 67.124 1.00 15.92 N ATOM 47 CA PHE A 46 57.486 4.814 67.112 1.00 16.19 C ATOM 48 C PHE A 46 58.312 5.707 66.206 1.00 17.91 C ATOM 49 O PHE A 46 58.140 5.677 64.983 1.00 17.88 O ATOM 50 CB PHE A 46 57.425 3.383 66.578 1.00 16.20 C ATOM 51 CG PHE A 46 58.747 2.663 66.580 1.00 16.80 C ATOM 52 CD1 PHE A 46 59.189 1.994 67.711 1.00 19.44 C ATOM 53 CD2 PHE A 46 59.528 2.623 65.426 1.00 16.92 C ATOM 54 CE1 PHE A 46 60.396 1.320 67.703 1.00 21.22 C ATOM 55 CE2 PHE A 46 60.742 1.951 65.414 1.00 17.17 C ATOM 56 CZ PHE A 46 61.171 1.295 66.553 1.00 20.06 C ATOM 57 H PHE A 46 55.755 5.776 66.238 1.00 0.00 H ATOM 58 N GLY A 47 59.174 6.517 66.813 1.00 21.38 N ATOM 59 CA GLY A 47 59.767 7.625 66.092 1.00 22.10 C ATOM 60 C GLY A 47 58.686 8.477 65.466 1.00 21.00 C ATOM 61 O GLY A 47 57.719 8.894 66.121 1.00 21.75 O ATOM 62 H GLY A 47 59.424 6.355 67.809 1.00 0.00 H ATOM 63 N ASP A 48 58.828 8.708 64.170 1.00 17.56 N ATOM 64 CA ASP A 48 57.919 9.550 63.414 1.00 16.34 C ATOM 65 C ASP A 48 56.819 8.750 62.725 1.00 14.96 C ATOM 66 O ASP A 48 56.080 9.311 61.911 1.00 16.17 O ATOM 67 CB ASP A 48 58.712 10.357 62.384 1.00 18.96 C ATOM 68 CG ASP A 48 58.090 11.696 62.091 1.00 19.45 C ATOM 69 OD1 ASP A 48 57.648 12.364 63.059 1.00 20.80 O ATOM 70 OD2 ASP A 48 58.051 12.081 60.901 1.00 21.11 O ATOM 71 H ASP A 48 59.627 8.266 63.671 1.00 0.00 H ATOM 72 N LEU A 49 56.690 7.463 63.038 1.00 14.76 N ATOM 73 CA LEU A 49 55.706 6.589 62.421 1.00 15.54 C ATOM 74 C LEU A 49 54.676 6.158 63.460 1.00 13.74 C ATOM 75 O LEU A 49 54.869 6.310 64.668 1.00 15.00 O ATOM 76 CB LEU A 49 56.386 5.369 61.778 1.00 17.84 C ATOM 77 CG LEU A 49 57.057 5.620 60.409 1.00 20.06 C ATOM 78 CD1 LEU A 49 58.424 6.272 60.566 1.00 22.62 C ATOM 79 CD2 LEU A 49 57.175 4.322 59.629 1.00 21.06 C ATOM 80 H LEU A 49 57.324 7.063 63.759 1.00 0.00 H ATOM 81 N VAL A 50 53.553 5.638 62.976 1.00 14.01 N ATOM 82 CA VAL A 50 52.472 5.158 63.826 1.00 14.31 C ATOM 83 C VAL A 50 52.114 3.743 63.392 1.00 14.16 C ATOM 84 O VAL A 50 52.015 3.454 62.191 1.00 15.14 O ATOM 85 CB VAL A 50 51.241 6.086 63.756 1.00 16.10 C ATOM 86 CG1 VAL A 50 50.083 5.506 64.562 1.00 16.55 C ATOM 87 CG2 VAL A 50 51.602 7.489 64.251 1.00 16.52 C ATOM 88 H VAL A 50 53.441 5.571 61.944 1.00 0.00 H ATOM 89 N PHE A 51 51.912 2.862 64.372 1.00 13.74 N ATOM 90 CA PHE A 51 51.560 1.469 64.119 1.00 14.78 C ATOM 91 C PHE A 51 50.285 1.156 64.878 1.00 16.10 C ATOM 92 O PHE A 51 50.154 1.536 66.044 1.00 17.12 O ATOM 93 CB PHE A 51 52.693 0.539 64.572 1.00 14.64 C ATOM 94 CG PHE A 51 53.962 0.757 63.819 1.00 14.93 C ATOM 95 CD1 PHE A 51 54.846 1.755 64.193 1.00 17.13 C ATOM 96 CD2 PHE A 51 54.244 0.004 62.684 1.00 14.83 C ATOM 97 CE1 PHE A 51 56.007 1.981 63.472 1.00 18.01 C ATOM 98 CE2 PHE A 51 55.404 0.222 61.953 1.00 15.89 C ATOM 99 CZ PHE A 51 56.286 1.210 62.346 1.00 17.08 C ATOM 100 H PHE A 51 52.009 3.181 65.357 1.00 0.00 H ATOM 101 N ARG A 52 49.340 0.492 64.221 1.00 17.14 N ATOM 102 CA ARG A 52 48.061 0.152 64.839 1.00 17.07 C ATOM 103 C ARG A 52 47.750 -1.308 64.560 1.00 17.30 C ATOM 104 O ARG A 52 47.687 -1.716 63.395 1.00 17.22 O ATOM 105 CB ARG A 52 46.928 1.028 64.297 1.00 18.48 C ATOM 106 CG ARG A 52 45.558 0.657 64.880 1.00 21.76 C ATOM 107 CD ARG A 52 44.410 1.419 64.226 1.00 23.62 C ATOM 108 NE ARG A 52 44.411 2.836 64.573 1.00 25.39 N ATOM 109 CZ ARG A 52 43.437 3.689 64.263 1.00 26.67 C ATOM 110 NH1 ARG A 52 42.370 3.279 63.585 1.00 26.91 N ATOM 111 NH2 ARG A 52 43.532 4.961 64.629 1.00 28.29 N ATOM 112 HE ARG A 52 45.229 3.205 65.099 1.00 0.00 H ATOM 113 HH12 ARG A 52 41.614 3.953 63.347 1.00 0.00 H ATOM 114 HH11 ARG A 52 42.291 2.284 63.292 1.00 0.00 H ATOM 115 HH22 ARG A 52 42.773 5.630 64.388 1.00 0.00 H ATOM 116 HH21 ARG A 52 44.366 5.289 65.157 1.00 0.00 H ATOM 117 H ARG A 52 49.516 0.206 63.237 1.00 0.00 H ATOM 118 N GLN A 53 47.533 -2.091 65.615 1.00 17.59 N ATOM 119 CA GLN A 53 47.165 -3.487 65.423 1.00 18.37 C ATOM 120 C GLN A 53 45.734 -3.574 64.915 1.00 18.76 C ATOM 121 O GLN A 53 44.828 -2.946 65.473 1.00 20.68 O ATOM 122 CB GLN A 53 47.326 -4.281 66.719 1.00 19.77 C ATOM 123 CG GLN A 53 47.123 -5.778 66.529 1.00 22.08 C ATOM 124 CD GLN A 53 47.752 -6.599 67.628 1.00 24.72 C ATOM 125 OE1 GLN A 53 48.026 -6.090 68.710 1.00 27.17 O ATOM 126 NE2 GLN A 53 47.994 -7.877 67.353 1.00 24.40 N ATOM 127 HE22 GLN A 53 47.744 -8.265 66.421 1.00 0.00 H ATOM 128 HE21 GLN A 53 48.433 -8.489 68.070 1.00 0.00 H ATOM 129 H GLN A 53 47.626 -1.706 66.576 1.00 0.00 H ATOM 130 N LEU A 54 45.529 -4.348 63.842 1.00 17.01 N ATOM 131 CA LEU A 54 44.203 -4.532 63.265 1.00 16.55 C ATOM 132 C LEU A 54 43.606 -5.907 63.524 1.00 17.55 C ATOM 133 O LEU A 54 42.380 -6.051 63.458 1.00 19.36 O ATOM 134 CB LEU A 54 44.244 -4.307 61.747 1.00 17.84 C ATOM 135 CG LEU A 54 44.814 -2.965 61.273 1.00 18.81 C ATOM 136 CD1 LEU A 54 44.741 -2.869 59.764 1.00 18.01 C ATOM 137 CD2 LEU A 54 44.054 -1.810 61.910 1.00 19.70 C ATOM 138 H LEU A 54 46.340 -4.832 63.407 1.00 0.00 H ATOM 139 N ALA A 55 44.440 -6.904 63.791 1.00 17.65 N ATOM 140 CA ALA A 55 44.037 -8.286 64.012 1.00 18.82 C ATOM 141 C ALA A 55 45.196 -8.975 64.717 1.00 18.91 C ATOM 142 O ALA A 55 46.290 -8.404 64.810 1.00 18.91 O ATOM 143 CB ALA A 55 43.713 -8.982 62.679 1.00 19.22 C ATOM 144 H ALA A 55 45.455 -6.683 63.846 1.00 0.00 H ATOM 145 N PRO A 56 44.995 -10.191 65.245 1.00 19.42 N ATOM 146 CA PRO A 56 46.090 -10.833 66.000 1.00 20.32 C ATOM 147 C PRO A 56 47.426 -10.888 65.270 1.00 19.99 C ATOM 148 O PRO A 56 48.477 -10.783 65.916 1.00 21.49 O ATOM 149 CB PRO A 56 45.535 -12.227 66.303 1.00 20.93 C ATOM 150 CG PRO A 56 44.068 -11.994 66.429 1.00 21.37 C ATOM 151 CD PRO A 56 43.734 -10.943 65.389 1.00 20.62 C ATOM 152 N ASN A 57 47.421 -11.023 63.944 1.00 17.54 N ATOM 153 CA ASN A 57 48.656 -11.132 63.170 1.00 16.65 C ATOM 154 C ASN A 57 48.830 -9.988 62.170 1.00 15.11 C ATOM 155 O ASN A 57 49.611 -10.124 61.223 1.00 14.41 O ATOM 156 CB ASN A 57 48.714 -12.466 62.408 1.00 17.94 C ATOM 157 CG ASN A 57 48.990 -13.673 63.311 1.00 23.27 C ATOM 158 OD1 ASN A 57 48.713 -13.656 64.507 1.00 25.15 O ATOM 159 ND2 ASN A 57 49.548 -14.735 62.722 1.00 25.26 N ATOM 160 HD22 ASN A 57 49.768 -14.710 61.706 1.00 0.00 H ATOM 161 HD21 ASN A 57 49.763 -15.586 63.280 1.00 0.00 H ATOM 162 H ASN A 57 46.509 -11.052 63.444 1.00 0.00 H ATOM 163 N VAL A 58 48.104 -8.879 62.320 1.00 14.15 N ATOM 164 CA VAL A 58 48.111 -7.823 61.306 1.00 12.54 C ATOM 165 C VAL A 58 48.222 -6.461 61.973 1.00 13.07 C ATOM 166 O VAL A 58 47.485 -6.168 62.919 1.00 14.54 O ATOM 167 CB VAL A 58 46.857 -7.851 60.403 1.00 14.57 C ATOM 168 CG1 VAL A 58 46.960 -6.783 59.320 1.00 15.61 C ATOM 169 CG2 VAL A 58 46.634 -9.230 59.789 1.00 15.51 C ATOM 170 H VAL A 58 47.522 -8.762 63.174 1.00 0.00 H ATOM 171 N TRP A 59 49.118 -5.617 61.454 1.00 13.17 N ATOM 172 CA TRP A 59 49.286 -4.242 61.907 1.00 13.17 C ATOM 173 C TRP A 59 49.309 -3.311 60.700 1.00 12.38 C ATOM 174 O TRP A 59 49.775 -3.677 59.617 1.00 13.68 O ATOM 175 CB TRP A 59 50.606 -4.047 62.681 1.00 13.55 C ATOM 176 CG TRP A 59 50.736 -4.889 63.913 1.00 14.84 C ATOM 177 CD1 TRP A 59 50.553 -4.482 65.208 1.00 15.81 C ATOM 178 CD2 TRP A 59 51.091 -6.275 63.974 1.00 14.99 C ATOM 179 NE1 TRP A 59 50.757 -5.536 66.071 1.00 16.87 N ATOM 180 CE2 TRP A 59 51.092 -6.647 65.339 1.00 16.84 C ATOM 181 CE3 TRP A 59 51.401 -7.241 63.011 1.00 15.62 C ATOM 182 CZ2 TRP A 59 51.398 -7.938 65.761 1.00 18.46 C ATOM 183 CZ3 TRP A 59 51.701 -8.526 63.433 1.00 17.14 C ATOM 184 CH2 TRP A 59 51.699 -8.861 64.795 1.00 18.48 C ATOM 185 HE1 TRP A 59 50.671 -5.496 67.107 1.00 0.00 H ATOM 186 H TRP A 59 49.729 -5.960 60.685 1.00 0.00 H ATOM 187 N GLN A 60 48.819 -2.093 60.904 1.00 12.56 N ATOM 188 CA GLN A 60 48.921 -1.029 59.921 1.00 12.83 C ATOM 189 C GLN A 60 50.119 -0.149 60.259 1.00 12.60 C ATOM 190 O GLN A 60 50.263 0.288 61.408 1.00 13.38 O ATOM 191 CB GLN A 60 47.645 -0.190 59.934 1.00 14.33 C ATOM 192 CG GLN A 60 47.609 0.930 58.906 1.00 14.22 C ATOM 193 CD GLN A 60 46.335 1.742 59.013 1.00 14.93 C ATOM 194 OE1 GLN A 60 45.429 1.629 58.180 1.00 16.64 O ATOM 195 NE2 GLN A 60 46.241 2.541 60.063 1.00 15.71 N ATOM 196 HE22 GLN A 60 47.028 2.605 60.740 1.00 0.00 H ATOM 197 HE21 GLN A 60 45.380 3.105 60.212 1.00 0.00 H ATOM 198 H GLN A 60 48.342 -1.893 61.806 1.00 0.00 H ATOM 199 N HIS A 61 50.974 0.110 59.268 1.00 12.06 N ATOM 200 CA HIS A 61 52.050 1.082 59.423 1.00 12.65 C ATOM 201 C HIS A 61 51.658 2.401 58.772 1.00 11.46 C ATOM 202 O HIS A 61 51.022 2.411 57.717 1.00 12.01 O ATOM 203 CB HIS A 61 53.409 0.568 58.908 1.00 11.38 C ATOM 204 CG HIS A 61 53.515 0.304 57.426 1.00 10.01 C ATOM 205 ND1 HIS A 61 53.696 1.308 56.494 1.00 9.99 N ATOM 206 CD2 HIS A 61 53.597 -0.861 56.734 1.00 10.06 C ATOM 207 CE1 HIS A 61 53.858 0.775 55.293 1.00 10.55 C ATOM 208 NE2 HIS A 61 53.792 -0.541 55.408 1.00 11.01 N ATOM 209 H HIS A 61 50.871 -0.393 58.364 1.00 0.00 H ATOM 210 N THR A 62 52.022 3.513 59.416 1.00 11.77 N ATOM 211 CA THR A 62 51.677 4.837 58.908 1.00 12.12 C ATOM 212 C THR A 62 52.897 5.744 58.952 1.00 12.58 C ATOM 213 O THR A 62 53.556 5.854 59.995 1.00 13.49 O ATOM 214 CB THR A 62 50.532 5.471 59.715 1.00 13.07 C ATOM 215 OG1 THR A 62 49.386 4.611 59.693 1.00 13.24 O ATOM 216 CG2 THR A 62 50.143 6.824 59.133 1.00 13.43 C ATOM 217 HG1 THR A 62 49.092 4.478 58.757 1.00 0.00 H ATOM 218 H THR A 62 52.564 3.434 60.300 1.00 0.00 H ATOM 219 N SER A 63 53.181 6.404 57.826 1.00 12.71 N ATOM 220 CA SER A 63 54.273 7.361 57.711 1.00 12.88 C ATOM 221 C SER A 63 53.752 8.651 57.087 1.00 13.25 C ATOM 222 O SER A 63 52.683 8.674 56.467 1.00 13.57 O ATOM 223 CB SER A 63 55.419 6.781 56.875 1.00 13.81 C ATOM 224 OG SER A 63 54.981 6.436 55.569 1.00 12.99 O ATOM 225 HG SER A 63 54.262 5.759 55.632 1.00 0.00 H ATOM 226 H SER A 63 52.592 6.225 56.988 1.00 0.00 H ATOM 227 N TYR A 64 54.523 9.734 57.245 1.00 14.94 N ATOM 228 CA TYR A 64 54.060 11.075 56.911 1.00 14.76 C ATOM 229 C TYR A 64 55.078 11.789 56.042 1.00 16.05 C ATOM 230 O TYR A 64 56.286 11.678 56.266 1.00 16.81 O ATOM 231 CB TYR A 64 53.832 11.912 58.182 1.00 14.85 C ATOM 232 CG TYR A 64 52.873 11.240 59.113 1.00 14.28 C ATOM 233 CD1 TYR A 64 53.321 10.300 60.033 1.00 15.02 C ATOM 234 CD2 TYR A 64 51.512 11.497 59.039 1.00 15.09 C ATOM 235 CE1 TYR A 64 52.443 9.651 60.861 1.00 16.05 C ATOM 236 CE2 TYR A 64 50.626 10.853 59.865 1.00 15.83 C ATOM 237 CZ TYR A 64 51.098 9.932 60.777 1.00 16.40 C ATOM 238 OH TYR A 64 50.225 9.279 61.604 1.00 18.34 O ATOM 239 HH TYR A 64 50.728 8.659 62.190 1.00 0.00 H ATOM 240 H TYR A 64 55.486 9.614 57.619 1.00 0.00 H ATOM 241 N LEU A 65 54.579 12.534 55.059 1.00 16.07 N ATOM 242 CA LEU A 65 55.427 13.367 54.219 1.00 19.04 C ATOM 243 C LEU A 65 54.773 14.724 54.029 1.00 23.63 C ATOM 244 O LEU A 65 53.589 14.804 53.692 1.00 22.00 O ATOM 245 CB LEU A 65 55.644 12.728 52.845 1.00 19.23 C ATOM 246 CG LEU A 65 56.613 13.510 51.953 1.00 21.34 C ATOM 247 CD1 LEU A 65 58.031 13.397 52.476 1.00 22.94 C ATOM 248 CD2 LEU A 65 56.528 12.998 50.531 1.00 21.51 C ATOM 249 H LEU A 65 53.554 12.521 54.886 1.00 0.00 H ATOM 250 N ASP A 66 55.548 15.786 54.233 1.00 28.69 N ATOM 251 CA ASP A 66 55.061 17.136 53.982 1.00 33.71 C ATOM 252 C ASP A 66 54.887 17.340 52.483 1.00 36.63 C ATOM 253 O ASP A 66 55.860 17.276 51.724 1.00 38.18 O ATOM 254 CB ASP A 66 56.055 18.155 54.532 1.00 36.00 C ATOM 255 CG ASP A 66 55.609 18.758 55.850 1.00 37.55 C ATOM 256 OD1 ASP A 66 54.392 18.992 56.024 1.00 38.48 O ATOM 257 OD2 ASP A 66 56.481 19.015 56.707 1.00 37.89 O ATOM 258 H ASP A 66 56.520 15.650 54.578 1.00 0.00 H ATOM 259 N MET A 67 53.649 17.575 52.052 1.00 38.01 N ATOM 260 CA MET A 67 53.387 17.947 50.673 1.00 41.51 C ATOM 261 C MET A 67 53.117 19.440 50.683 1.00 41.11 C ATOM 262 O MET A 67 52.060 19.863 51.180 1.00 41.02 O ATOM 263 CB MET A 67 52.178 17.192 50.125 1.00 44.30 C ATOM 264 CG MET A 67 52.296 15.684 50.224 1.00 46.67 C ATOM 265 SD MET A 67 53.146 14.959 48.813 1.00 48.73 S ATOM 266 CE MET A 67 52.303 15.766 47.457 1.00 49.10 C ATOM 267 H MET A 67 52.854 17.490 52.717 1.00 0.00 H ATOM 268 N PRO A 68 54.053 20.274 50.224 1.00 40.56 N ATOM 269 CA PRO A 68 53.766 21.708 50.092 1.00 39.23 C ATOM 270 C PRO A 68 52.418 21.942 49.429 1.00 38.24 C ATOM 271 O PRO A 68 52.142 21.403 48.352 1.00 38.19 O ATOM 272 CB PRO A 68 54.929 22.211 49.231 1.00 40.19 C ATOM 273 CG PRO A 68 56.062 21.305 49.597 1.00 40.36 C ATOM 274 CD PRO A 68 55.454 19.953 49.901 1.00 41.20 C ATOM 275 N GLY A 69 51.550 22.699 50.095 1.00 38.17 N ATOM 276 CA GLY A 69 50.195 22.899 49.639 1.00 37.43 C ATOM 277 C GLY A 69 49.183 21.892 50.145 1.00 36.55 C ATOM 278 O GLY A 69 47.981 22.079 49.912 1.00 38.37 O ATOM 279 H GLY A 69 51.858 23.162 50.974 1.00 0.00 H ATOM 280 N PHE A 70 49.618 20.830 50.831 1.00 34.05 N ATOM 281 CA PHE A 70 48.695 19.814 51.314 1.00 32.24 C ATOM 282 C PHE A 70 48.917 19.388 52.758 1.00 29.38 C ATOM 283 O PHE A 70 48.150 18.559 53.261 1.00 31.17 O ATOM 284 CB PHE A 70 48.720 18.577 50.404 1.00 34.10 C ATOM 285 CG PHE A 70 48.184 18.835 49.027 1.00 36.50 C ATOM 286 CD1 PHE A 70 46.835 18.688 48.761 1.00 37.19 C ATOM 287 CD2 PHE A 70 49.026 19.234 48.002 1.00 37.52 C ATOM 288 CE1 PHE A 70 46.332 18.932 47.494 1.00 38.25 C ATOM 289 CE2 PHE A 70 48.530 19.477 46.728 1.00 38.31 C ATOM 290 CZ PHE A 70 47.180 19.327 46.477 1.00 38.96 C ATOM 291 H PHE A 70 50.635 20.728 51.023 1.00 0.00 H ATOM 292 N GLY A 71 49.925 19.919 53.436 1.00 23.70 N ATOM 293 CA GLY A 71 50.206 19.492 54.788 1.00 20.59 C ATOM 294 C GLY A 71 50.987 18.191 54.817 1.00 17.26 C ATOM 295 O GLY A 71 51.528 17.719 53.807 1.00 17.91 O ATOM 296 H GLY A 71 50.518 20.649 52.992 1.00 0.00 H ATOM 297 N ALA A 72 51.024 17.592 56.008 1.00 17.03 N ATOM 298 CA ALA A 72 51.759 16.351 56.243 1.00 17.15 C ATOM 299 C ALA A 72 50.827 15.172 55.979 1.00 19.06 C ATOM 300 O ALA A 72 49.935 14.891 56.780 1.00 21.52 O ATOM 301 CB ALA A 72 52.279 16.332 57.680 1.00 18.82 C ATOM 302 H ALA A 72 50.509 18.025 56.801 1.00 0.00 H ATOM 303 N VAL A 73 51.048 14.468 54.877 1.00 15.56 N ATOM 304 CA VAL A 73 50.111 13.456 54.392 1.00 15.75 C ATOM 305 C VAL A 73 50.486 12.081 54.938 1.00 14.55 C ATOM 306 O VAL A 73 51.619 11.618 54.769 1.00 14.73 O ATOM 307 CB VAL A 73 50.064 13.456 52.853 1.00 17.21 C ATOM 308 CG1 VAL A 73 49.136 12.363 52.336 1.00 18.77 C ATOM 309 CG2 VAL A 73 49.619 14.826 52.342 1.00 18.51 C ATOM 310 H VAL A 73 51.920 14.642 54.338 1.00 0.00 H ATOM 311 N ALA A 74 49.523 11.419 55.578 1.00 14.33 N ATOM 312 CA ALA A 74 49.709 10.057 56.065 1.00 13.39 C ATOM 313 C ALA A 74 49.578 9.061 54.925 1.00 12.93 C ATOM 314 O ALA A 74 48.738 9.225 54.040 1.00 14.97 O ATOM 315 CB ALA A 74 48.617 9.732 57.082 1.00 14.66 C ATOM 316 H ALA A 74 48.609 11.889 55.735 1.00 0.00 H ATOM 317 N SER A 75 50.389 8.004 54.968 1.00 12.20 N ATOM 318 CA SER A 75 50.236 6.874 54.062 1.00 12.29 C ATOM 319 C SER A 75 50.322 5.594 54.875 1.00 12.17 C ATOM 320 O SER A 75 51.218 5.456 55.719 1.00 11.66 O ATOM 321 CB SER A 75 51.328 6.867 52.999 1.00 13.33 C ATOM 322 OG SER A 75 51.119 5.768 52.116 1.00 14.20 O ATOM 323 HG SER A 75 51.151 4.923 52.630 1.00 0.00 H ATOM 324 H SER A 75 51.155 7.986 55.671 1.00 0.00 H ATOM 325 N ASN A 76 49.405 4.661 54.609 1.00 11.33 N ATOM 326 CA ASN A 76 49.286 3.417 55.359 1.00 10.74 C ATOM 327 C ASN A 76 49.694 2.221 54.512 1.00 10.63 C ATOM 328 O ASN A 76 49.368 2.141 53.319 1.00 11.36 O ATOM 329 CB ASN A 76 47.838 3.165 55.785 1.00 12.13 C ATOM 330 CG ASN A 76 47.263 4.292 56.613 1.00 13.27 C ATOM 331 OD1 ASN A 76 47.937 4.875 57.472 1.00 14.00 O ATOM 332 ND2 ASN A 76 45.991 4.595 56.374 1.00 14.55 N ATOM 333 HD22 ASN A 76 45.462 4.079 55.642 1.00 0.00 H ATOM 334 HD21 ASN A 76 45.525 5.348 56.919 1.00 0.00 H ATOM 335 H ASN A 76 48.741 4.831 53.826 1.00 0.00 H ATOM 336 N GLY A 77 50.367 1.273 55.157 1.00 10.35 N ATOM 337 CA GLY A 77 50.583 -0.057 54.616 1.00 10.15 C ATOM 338 C GLY A 77 50.300 -1.097 55.683 1.00 10.49 C ATOM 339 O GLY A 77 49.761 -0.776 56.748 1.00 11.44 O ATOM 340 H GLY A 77 50.758 1.495 56.095 1.00 0.00 H ATOM 341 N LEU A 78 50.693 -2.341 55.445 1.00 10.35 N ATOM 342 CA LEU A 78 50.373 -3.435 56.354 1.00 10.56 C ATOM 343 C LEU A 78 51.613 -4.249 56.693 1.00 9.68 C ATOM 344 O LEU A 78 52.578 -4.313 55.920 1.00 10.10 O ATOM 345 CB LEU A 78 49.317 -4.379 55.761 1.00 12.57 C ATOM 346 CG LEU A 78 47.916 -3.780 55.626 1.00 14.11 C ATOM 347 CD1 LEU A 78 47.018 -4.736 54.863 1.00 17.08 C ATOM 348 CD2 LEU A 78 47.333 -3.458 57.007 1.00 14.99 C ATOM 349 H LEU A 78 51.245 -2.542 54.586 1.00 0.00 H ATOM 350 N ILE A 79 51.557 -4.877 57.865 1.00 10.09 N ATOM 351 CA ILE A 79 52.550 -5.832 58.341 1.00 10.00 C ATOM 352 C ILE A 79 51.787 -7.067 58.798 1.00 10.56 C ATOM 353 O ILE A 79 50.848 -6.956 59.593 1.00 12.80 O ATOM 354 CB ILE A 79 53.362 -5.249 59.519 1.00 10.80 C ATOM 355 CG1 ILE A 79 54.041 -3.935 59.107 1.00 11.69 C ATOM 356 CG2 ILE A 79 54.366 -6.277 60.051 1.00 12.04 C ATOM 357 CD1 ILE A 79 54.618 -3.156 60.270 1.00 12.53 C ATOM 358 H ILE A 79 50.748 -4.672 58.485 1.00 0.00 H ATOM 359 N VAL A 80 52.174 -8.235 58.289 1.00 10.42 N ATOM 360 CA VAL A 80 51.455 -9.471 58.574 1.00 11.41 C ATOM 361 C VAL A 80 52.438 -10.502 59.108 1.00 11.60 C ATOM 362 O VAL A 80 53.443 -10.798 58.452 1.00 12.95 O ATOM 363 CB VAL A 80 50.765 -10.007 57.305 1.00 12.62 C ATOM 364 CG1 VAL A 80 50.052 -11.332 57.581 1.00 14.66 C ATOM 365 CG2 VAL A 80 49.784 -8.979 56.770 1.00 13.44 C ATOM 366 H VAL A 80 53.011 -8.266 57.672 1.00 0.00 H ATOM 367 N ARG A 81 52.140 -11.083 60.273 1.00 12.14 N ATOM 368 CA ARG A 81 52.914 -12.227 60.747 1.00 13.49 C ATOM 369 C ARG A 81 52.255 -13.498 60.229 1.00 13.36 C ATOM 370 O ARG A 81 51.061 -13.728 60.462 1.00 14.59 O ATOM 371 CB ARG A 81 53.071 -12.292 62.269 1.00 14.77 C ATOM 372 CG ARG A 81 53.955 -13.477 62.665 1.00 15.80 C ATOM 373 CD ARG A 81 54.139 -13.634 64.174 1.00 16.14 C ATOM 374 NE ARG A 81 52.900 -13.954 64.884 1.00 16.95 N ATOM 375 CZ ARG A 81 52.319 -15.155 64.904 1.00 17.25 C ATOM 376 NH1 ARG A 81 52.852 -16.169 64.240 1.00 16.86 N ATOM 377 NH2 ARG A 81 51.191 -15.340 65.583 1.00 19.09 N ATOM 378 HE ARG A 81 52.437 -13.187 65.413 1.00 0.00 H ATOM 379 HH12 ARG A 81 52.394 -17.102 64.260 1.00 0.00 H ATOM 380 HH11 ARG A 81 53.729 -16.032 63.698 1.00 0.00 H ATOM 381 HH22 ARG A 81 50.740 -16.277 65.597 1.00 0.00 H ATOM 382 HH21 ARG A 81 50.759 -14.548 66.100 1.00 0.00 H ATOM 383 H ARG A 81 51.352 -10.719 60.846 1.00 0.00 H ATOM 384 N ASP A 82 53.030 -14.310 59.521 1.00 12.53 N ATOM 385 CA ASP A 82 52.584 -15.597 58.989 1.00 12.90 C ATOM 386 C ASP A 82 53.497 -16.649 59.611 1.00 13.64 C ATOM 387 O ASP A 82 54.577 -16.920 59.088 1.00 14.53 O ATOM 388 CB ASP A 82 52.681 -15.603 57.460 1.00 14.31 C ATOM 389 CG ASP A 82 52.406 -16.973 56.866 1.00 15.86 C ATOM 390 OD1 ASP A 82 51.589 -17.724 57.444 1.00 17.13 O ATOM 391 OD2 ASP A 82 53.009 -17.304 55.826 1.00 18.24 O ATOM 392 H ASP A 82 54.009 -14.014 59.334 1.00 0.00 H ATOM 393 N GLY A 83 53.076 -17.229 60.731 1.00 14.33 N ATOM 394 CA GLY A 83 53.924 -18.199 61.413 1.00 15.15 C ATOM 395 C GLY A 83 55.216 -17.559 61.887 1.00 14.16 C ATOM 396 O GLY A 83 55.210 -16.596 62.664 1.00 15.04 O ATOM 397 H GLY A 83 52.142 -16.991 61.121 1.00 0.00 H ATOM 398 N GLY A 84 56.341 -18.098 61.422 1.00 14.10 N ATOM 399 CA GLY A 84 57.647 -17.610 61.825 1.00 14.61 C ATOM 400 C GLY A 84 58.265 -16.568 60.915 1.00 14.34 C ATOM 401 O GLY A 84 59.482 -16.370 60.936 1.00 15.33 O ATOM 402 H GLY A 84 56.282 -18.891 60.751 1.00 0.00 H ATOM 403 N ARG A 85 57.458 -15.878 60.119 1.00 13.62 N ATOM 404 CA ARG A 85 57.991 -14.852 59.239 1.00 13.98 C ATOM 405 C ARG A 85 56.999 -13.704 59.149 1.00 12.47 C ATOM 406 O ARG A 85 55.825 -13.828 59.515 1.00 13.26 O ATOM 407 CB ARG A 85 58.311 -15.407 57.848 1.00 14.88 C ATOM 408 CG ARG A 85 57.069 -15.693 57.064 1.00 15.07 C ATOM 409 CD ARG A 85 57.207 -16.871 56.088 1.00 17.20 C ATOM 410 NE ARG A 85 55.944 -16.982 55.375 1.00 16.23 N ATOM 411 CZ ARG A 85 55.784 -16.786 54.069 1.00 14.68 C ATOM 412 NH1 ARG A 85 56.825 -16.547 53.266 1.00 15.38 N ATOM 413 NH2 ARG A 85 54.566 -16.838 53.564 1.00 15.93 N ATOM 414 HE ARG A 85 55.101 -17.234 55.929 1.00 0.00 H ATOM 415 HH12 ARG A 85 56.673 -16.397 52.248 1.00 0.00 H ATOM 416 HH11 ARG A 85 57.787 -16.511 53.659 1.00 0.00 H ATOM 417 HH22 ARG A 85 54.418 -16.688 52.546 1.00 0.00 H ATOM 418 HH21 ARG A 85 53.754 -17.029 54.184 1.00 0.00 H ATOM 419 H ARG A 85 56.436 -16.073 60.125 1.00 0.00 H ATOM 420 N VAL A 86 57.482 -12.584 58.617 1.00 11.25 N ATOM 421 CA VAL A 86 56.699 -11.363 58.478 1.00 11.04 C ATOM 422 C VAL A 86 56.640 -10.976 57.006 1.00 10.46 C ATOM 423 O VAL A 86 57.627 -11.109 56.271 1.00 10.81 O ATOM 424 CB VAL A 86 57.296 -10.227 59.337 1.00 11.12 C ATOM 425 CG1 VAL A 86 56.570 -8.923 59.100 1.00 12.08 C ATOM 426 CG2 VAL A 86 57.252 -10.606 60.823 1.00 12.70 C ATOM 427 H VAL A 86 58.467 -12.580 58.284 1.00 0.00 H ATOM 428 N LEU A 87 55.472 -10.505 56.589 1.00 10.12 N ATOM 429 CA LEU A 87 55.223 -10.037 55.235 1.00 10.36 C ATOM 430 C LEU A 87 54.792 -8.580 55.307 1.00 10.93 C ATOM 431 O LEU A 87 54.026 -8.198 56.199 1.00 11.50 O ATOM 432 CB LEU A 87 54.112 -10.866 54.590 1.00 11.06 C ATOM 433 CG LEU A 87 54.161 -12.376 54.860 1.00 13.65 C ATOM 434 CD1 LEU A 87 52.886 -13.064 54.378 1.00 14.71 C ATOM 435 CD2 LEU A 87 55.398 -13.013 54.245 1.00 14.88 C ATOM 436 H LEU A 87 54.688 -10.468 57.271 1.00 0.00 H ATOM 437 N VAL A 88 55.288 -7.755 54.384 1.00 10.14 N ATOM 438 CA VAL A 88 54.993 -6.324 54.386 1.00 10.12 C ATOM 439 C VAL A 88 54.262 -5.937 53.105 1.00 9.19 C ATOM 440 O VAL A 88 54.601 -6.413 52.016 1.00 9.93 O ATOM 441 CB VAL A 88 56.283 -5.497 54.568 1.00 11.74 C ATOM 442 CG1 VAL A 88 56.033 -4.005 54.359 1.00 12.96 C ATOM 443 CG2 VAL A 88 56.867 -5.760 55.946 1.00 12.26 C ATOM 444 H VAL A 88 55.903 -8.142 53.640 1.00 0.00 H ATOM 445 N VAL A 89 53.244 -5.091 53.244 1.00 8.58 N ATOM 446 CA VAL A 89 52.554 -4.480 52.112 1.00 9.23 C ATOM 447 C VAL A 89 52.858 -2.989 52.138 1.00 9.03 C ATOM 448 O VAL A 89 52.484 -2.292 53.092 1.00 8.90 O ATOM 449 CB VAL A 89 51.040 -4.723 52.164 1.00 9.61 C ATOM 450 CG1 VAL A 89 50.380 -4.065 50.946 1.00 11.70 C ATOM 451 CG2 VAL A 89 50.737 -6.230 52.218 1.00 11.45 C ATOM 452 H VAL A 89 52.925 -4.854 54.205 1.00 0.00 H ATOM 453 N ASP A 90 53.542 -2.516 51.094 1.00 9.12 N ATOM 454 CA ASP A 90 53.932 -1.125 50.855 1.00 9.24 C ATOM 455 C ASP A 90 55.093 -0.658 51.722 1.00 9.22 C ATOM 456 O ASP A 90 55.213 -1.060 52.890 1.00 9.32 O ATOM 457 CB ASP A 90 52.747 -0.164 50.964 1.00 10.21 C ATOM 458 CG ASP A 90 51.781 -0.309 49.803 1.00 11.78 C ATOM 459 OD1 ASP A 90 52.210 -0.807 48.749 1.00 12.55 O ATOM 460 OD2 ASP A 90 50.602 0.076 49.935 1.00 14.18 O ATOM 461 H ASP A 90 53.828 -3.209 50.374 1.00 0.00 H ATOM 462 N THR A 91 55.971 0.155 51.140 1.00 9.21 N ATOM 463 CA THR A 91 56.970 0.852 51.938 1.00 9.32 C ATOM 464 C THR A 91 56.342 2.071 52.602 1.00 10.32 C ATOM 465 O THR A 91 55.153 2.361 52.437 1.00 10.50 O ATOM 466 CB THR A 91 58.188 1.254 51.095 1.00 10.17 C ATOM 467 OG1 THR A 91 57.866 2.374 50.258 1.00 10.18 O ATOM 468 CG2 THR A 91 58.678 0.120 50.198 1.00 10.70 C ATOM 469 HG1 THR A 91 57.596 3.140 50.824 1.00 0.00 H ATOM 470 H THR A 91 55.944 0.293 50.110 1.00 0.00 H ATOM 471 N ALA A 92 57.151 2.780 53.381 1.00 10.46 N ATOM 472 CA ALA A 92 56.819 4.136 53.793 1.00 10.45 C ATOM 473 C ALA A 92 57.231 5.099 52.679 1.00 11.13 C ATOM 474 O ALA A 92 57.740 4.690 51.634 1.00 11.94 O ATOM 475 CB ALA A 92 57.505 4.465 55.118 1.00 11.68 C ATOM 476 H ALA A 92 58.044 2.356 53.705 1.00 0.00 H ATOM 477 N TRP A 93 57.039 6.403 52.905 1.00 12.47 N ATOM 478 CA TRP A 93 57.390 7.382 51.880 1.00 12.92 C ATOM 479 C TRP A 93 58.885 7.367 51.558 1.00 12.74 C ATOM 480 O TRP A 93 59.279 7.621 50.412 1.00 14.49 O ATOM 481 CB TRP A 93 57.018 8.796 52.319 1.00 13.15 C ATOM 482 CG TRP A 93 55.577 9.117 52.500 1.00 12.43 C ATOM 483 CD1 TRP A 93 54.881 9.075 53.676 1.00 13.77 C ATOM 484 CD2 TRP A 93 54.682 9.678 51.526 1.00 12.82 C ATOM 485 NE1 TRP A 93 53.599 9.519 53.485 1.00 12.93 N ATOM 486 CE2 TRP A 93 53.446 9.898 52.177 1.00 13.37 C ATOM 487 CE3 TRP A 93 54.794 9.992 50.165 1.00 14.40 C ATOM 488 CZ2 TRP A 93 52.329 10.418 51.519 1.00 14.87 C ATOM 489 CZ3 TRP A 93 53.676 10.521 49.510 1.00 14.80 C ATOM 490 CH2 TRP A 93 52.460 10.722 50.191 1.00 15.00 C ATOM 491 HE1 TRP A 93 52.860 9.562 54.216 1.00 0.00 H ATOM 492 H TRP A 93 56.639 6.720 53.811 1.00 0.00 H ATOM 493 N THR A 94 59.741 7.121 52.554 1.00 13.23 N ATOM 494 CA THR A 94 61.181 7.269 52.365 1.00 13.31 C ATOM 495 C THR A 94 61.932 6.031 52.840 1.00 12.93 C ATOM 496 O THR A 94 61.409 5.202 53.592 1.00 12.89 O ATOM 497 CB THR A 94 61.753 8.479 53.118 1.00 14.86 C ATOM 498 OG1 THR A 94 61.692 8.224 54.530 1.00 15.92 O ATOM 499 CG2 THR A 94 60.984 9.757 52.780 1.00 16.03 C ATOM 500 HG1 THR A 94 62.060 9.001 55.021 1.00 0.00 H ATOM 501 H THR A 94 59.375 6.819 53.480 1.00 0.00 H ATOM 502 N ASP A 95 63.194 5.947 52.407 1.00 13.41 N ATOM 503 CA ASP A 95 64.079 4.880 52.872 1.00 13.37 C ATOM 504 C ASP A 95 64.218 4.904 54.392 1.00 12.70 C ATOM 505 O ASP A 95 64.140 3.860 55.048 1.00 13.77 O ATOM 506 CB ASP A 95 65.464 5.025 52.230 1.00 14.85 C ATOM 507 CG ASP A 95 65.489 4.666 50.748 1.00 15.82 C ATOM 508 OD1 ASP A 95 64.673 3.836 50.301 1.00 15.31 O ATOM 509 OD2 ASP A 95 66.369 5.207 50.040 1.00 19.75 O ATOM 510 H ASP A 95 63.551 6.651 51.730 1.00 0.00 H ATOM 511 N ASP A 96 64.467 6.091 54.965 1.00 14.40 N ATOM 512 CA ASP A 96 64.673 6.188 56.408 1.00 15.46 C ATOM 513 C ASP A 96 63.443 5.718 57.168 1.00 14.04 C ATOM 514 O ASP A 96 63.555 4.988 58.159 1.00 14.67 O ATOM 515 CB ASP A 96 65.015 7.628 56.808 1.00 19.07 C ATOM 516 CG ASP A 96 66.434 8.035 56.424 1.00 23.70 C ATOM 517 OD1 ASP A 96 67.202 7.187 55.925 1.00 25.54 O ATOM 518 OD2 ASP A 96 66.779 9.217 56.626 1.00 25.65 O ATOM 519 H ASP A 96 64.514 6.948 54.378 1.00 0.00 H ATOM 520 N GLN A 97 62.256 6.119 56.714 1.00 13.67 N ATOM 521 CA GLN A 97 61.030 5.673 57.374 1.00 13.27 C ATOM 522 C GLN A 97 60.853 4.172 57.229 1.00 11.83 C ATOM 523 O GLN A 97 60.414 3.496 58.169 1.00 13.08 O ATOM 524 CB GLN A 97 59.819 6.402 56.796 1.00 13.42 C ATOM 525 CG GLN A 97 59.807 7.906 57.060 1.00 13.80 C ATOM 526 CD GLN A 97 58.789 8.613 56.187 1.00 15.20 C ATOM 527 OE1 GLN A 97 58.235 8.013 55.265 1.00 15.56 O ATOM 528 NE2 GLN A 97 58.525 9.886 56.479 1.00 16.98 N ATOM 529 HE22 GLN A 97 59.018 10.352 57.267 1.00 0.00 H ATOM 530 HE21 GLN A 97 57.826 10.414 55.918 1.00 0.00 H ATOM 531 H GLN A 97 62.202 6.750 55.889 1.00 0.00 H ATOM 532 N THR A 98 61.203 3.634 56.062 1.00 11.62 N ATOM 533 CA THR A 98 61.042 2.203 55.832 1.00 11.87 C ATOM 534 C THR A 98 62.003 1.395 56.704 1.00 11.34 C ATOM 535 O THR A 98 61.621 0.359 57.261 1.00 11.81 O ATOM 536 CB THR A 98 61.189 1.912 54.334 1.00 11.54 C ATOM 537 OG1 THR A 98 60.185 2.655 53.629 1.00 10.67 O ATOM 538 CG2 THR A 98 61.020 0.427 54.013 1.00 11.98 C ATOM 539 HG1 THR A 98 60.310 3.622 53.801 1.00 0.00 H ATOM 540 H THR A 98 61.593 4.238 55.311 1.00 0.00 H ATOM 541 N ALA A 99 63.245 1.867 56.864 1.00 12.65 N ATOM 542 CA ALA A 99 64.152 1.245 57.823 1.00 13.63 C ATOM 543 C ALA A 99 63.564 1.274 59.228 1.00 13.02 C ATOM 544 O ALA A 99 63.738 0.329 60.005 1.00 13.75 O ATOM 545 CB ALA A 99 65.510 1.942 57.789 1.00 15.08 C ATOM 546 H ALA A 99 63.565 2.681 56.302 1.00 0.00 H ATOM 547 N GLN A 100 62.845 2.345 59.570 1.00 15.01 N ATOM 548 CA GLN A 100 62.197 2.384 60.877 1.00 15.81 C ATOM 549 C GLN A 100 61.073 1.359 60.995 1.00 14.36 C ATOM 550 O GLN A 100 60.863 0.813 62.086 1.00 14.60 O ATOM 551 CB GLN A 100 61.705 3.796 61.201 1.00 19.03 C ATOM 552 CG GLN A 100 62.815 4.736 61.644 1.00 24.43 C ATOM 553 CD GLN A 100 63.829 4.049 62.550 1.00 29.23 C ATOM 554 OE1 GLN A 100 65.022 3.964 62.230 1.00 33.73 O ATOM 555 NE2 GLN A 100 63.358 3.546 63.678 1.00 27.71 N ATOM 556 HE22 GLN A 100 62.348 3.640 63.908 1.00 0.00 H ATOM 557 HE21 GLN A 100 63.997 3.056 64.336 1.00 0.00 H ATOM 558 H GLN A 100 62.747 3.144 58.912 1.00 0.00 H ATOM 559 N ILE A 101 60.338 1.086 59.909 1.00 12.43 N ATOM 560 CA ILE A 101 59.369 -0.012 59.944 1.00 12.84 C ATOM 561 C ILE A 101 60.074 -1.317 60.278 1.00 11.83 C ATOM 562 O ILE A 101 59.597 -2.111 61.098 1.00 12.06 O ATOM 563 CB ILE A 101 58.603 -0.128 58.612 1.00 12.76 C ATOM 564 CG1 ILE A 101 57.713 1.088 58.379 1.00 13.71 C ATOM 565 CG2 ILE A 101 57.775 -1.405 58.591 1.00 13.83 C ATOM 566 CD1 ILE A 101 57.099 1.107 56.987 1.00 13.83 C ATOM 567 H ILE A 101 60.455 1.652 59.044 1.00 0.00 H ATOM 568 N LEU A 102 61.216 -1.566 59.638 1.00 11.98 N ATOM 569 CA LEU A 102 61.941 -2.804 59.901 1.00 13.13 C ATOM 570 C LEU A 102 62.427 -2.844 61.346 1.00 12.72 C ATOM 571 O LEU A 102 62.427 -3.909 61.982 1.00 13.32 O ATOM 572 CB LEU A 102 63.091 -2.964 58.907 1.00 13.26 C ATOM 573 CG LEU A 102 62.663 -3.003 57.435 1.00 12.87 C ATOM 574 CD1 LEU A 102 63.891 -3.171 56.561 1.00 14.78 C ATOM 575 CD2 LEU A 102 61.662 -4.129 57.189 1.00 13.37 C ATOM 576 H LEU A 102 61.590 -0.879 58.952 1.00 0.00 H ATOM 577 N ASN A 103 62.803 -1.696 61.885 1.00 13.46 N ATOM 578 CA ASN A 103 63.227 -1.618 63.293 1.00 15.76 C ATOM 579 C ASN A 103 62.032 -1.938 64.205 1.00 14.83 C ATOM 580 O ASN A 103 62.172 -2.676 65.140 1.00 15.64 O ATOM 581 CB ASN A 103 63.819 -0.208 63.542 1.00 18.51 C ATOM 582 CG ASN A 103 64.422 -0.019 64.931 1.00 21.17 C ATOM 583 OD1 ASN A 103 64.574 1.115 65.373 1.00 23.53 O ATOM 584 ND2 ASN A 103 64.762 -1.093 65.600 1.00 21.06 N ATOM 585 HD22 ASN A 103 64.614 -2.034 65.183 1.00 0.00 H ATOM 586 HD21 ASN A 103 65.180 -1.004 66.548 1.00 0.00 H ATOM 587 H ASN A 103 62.799 -0.833 61.304 1.00 0.00 H ATOM 588 N TRP A 104 60.861 -1.402 63.914 1.00 13.73 N ATOM 589 CA TRP A 104 59.685 -1.724 64.721 1.00 13.67 C ATOM 590 C TRP A 104 59.379 -3.217 64.661 1.00 13.13 C ATOM 591 O TRP A 104 59.119 -3.848 65.693 1.00 14.18 O ATOM 592 CB TRP A 104 58.485 -0.899 64.253 1.00 13.65 C ATOM 593 CG TRP A 104 57.233 -1.171 65.021 1.00 14.80 C ATOM 594 CD1 TRP A 104 56.789 -0.497 66.121 1.00 17.26 C ATOM 595 CD2 TRP A 104 56.265 -2.196 64.759 1.00 15.16 C ATOM 596 NE1 TRP A 104 55.601 -1.035 66.556 1.00 18.20 N ATOM 597 CE2 TRP A 104 55.258 -2.080 65.738 1.00 16.94 C ATOM 598 CE3 TRP A 104 56.152 -3.196 63.789 1.00 14.29 C ATOM 599 CZ2 TRP A 104 54.149 -2.932 65.777 1.00 15.99 C ATOM 600 CZ3 TRP A 104 55.059 -4.042 63.829 1.00 15.40 C ATOM 601 CH2 TRP A 104 54.070 -3.902 64.808 1.00 16.91 C ATOM 602 HE1 TRP A 104 55.051 -0.703 67.374 1.00 0.00 H ATOM 603 H TRP A 104 60.775 -0.749 63.109 1.00 0.00 H ATOM 604 N ILE A 105 59.456 -3.808 63.468 1.00 12.54 N ATOM 605 CA ILE A 105 59.228 -5.246 63.325 1.00 12.47 C ATOM 606 C ILE A 105 60.215 -6.038 64.177 1.00 12.64 C ATOM 607 O ILE A 105 59.837 -6.998 64.868 1.00 13.00 O ATOM 608 CB ILE A 105 59.291 -5.657 61.841 1.00 11.82 C ATOM 609 CG1 ILE A 105 58.099 -5.071 61.078 1.00 11.67 C ATOM 610 CG2 ILE A 105 59.356 -7.181 61.699 1.00 13.04 C ATOM 611 CD1 ILE A 105 58.211 -5.192 59.561 1.00 11.41 C ATOM 612 H ILE A 105 59.681 -3.239 62.627 1.00 0.00 H ATOM 613 N LYS A 106 61.492 -5.641 64.156 1.00 13.09 N ATOM 614 CA LYS A 106 62.509 -6.348 64.931 1.00 14.97 C ATOM 615 C LYS A 106 62.202 -6.288 66.421 1.00 16.02 C ATOM 616 O LYS A 106 62.314 -7.295 67.129 1.00 16.48 O ATOM 617 CB LYS A 106 63.886 -5.750 64.643 1.00 16.25 C ATOM 618 CG LYS A 106 64.974 -6.179 65.617 1.00 18.71 C ATOM 619 CD LYS A 106 65.345 -7.636 65.431 1.00 20.82 C ATOM 620 CE LYS A 106 66.543 -8.009 66.300 1.00 22.99 C ATOM 621 NZ LYS A 106 66.735 -9.486 66.412 1.00 24.19 N ATOM 622 HZ1 LYS A 106 65.887 -9.913 66.836 1.00 0.00 H ATOM 623 HZ2 LYS A 106 66.890 -9.887 65.465 1.00 0.00 H ATOM 624 HZ3 LYS A 106 67.561 -9.682 67.012 1.00 0.00 H ATOM 625 H LYS A 106 61.765 -4.819 63.581 1.00 0.00 H ATOM 626 N GLN A 107 61.789 -5.120 66.911 1.00 17.66 N ATOM 627 CA GLN A 107 61.537 -4.960 68.340 1.00 18.86 C ATOM 628 C GLN A 107 60.228 -5.612 68.768 1.00 18.15 C ATOM 629 O GLN A 107 60.158 -6.213 69.845 1.00 20.50 O ATOM 630 CB GLN A 107 61.540 -3.478 68.697 1.00 22.01 C ATOM 631 CG GLN A 107 62.909 -2.834 68.565 1.00 25.20 C ATOM 632 CD GLN A 107 62.927 -1.396 69.042 1.00 28.53 C ATOM 633 OE1 GLN A 107 63.598 -0.546 68.455 1.00 30.21 O ATOM 634 NE2 GLN A 107 62.191 -1.115 70.115 1.00 29.18 N ATOM 635 HE22 GLN A 107 61.640 -1.865 70.579 1.00 0.00 H ATOM 636 HE21 GLN A 107 62.167 -0.145 70.490 1.00 0.00 H ATOM 637 H GLN A 107 61.645 -4.314 66.269 1.00 0.00 H ATOM 638 N GLU A 108 59.179 -5.502 67.950 1.00 17.62 N ATOM 639 CA GLU A 108 57.848 -5.921 68.374 1.00 18.28 C ATOM 640 C GLU A 108 57.477 -7.338 67.953 1.00 17.04 C ATOM 641 O GLU A 108 56.614 -7.952 68.594 1.00 18.59 O ATOM 642 CB GLU A 108 56.789 -4.934 67.866 1.00 19.90 C ATOM 643 CG GLU A 108 56.995 -3.497 68.355 1.00 25.25 C ATOM 644 CD GLU A 108 56.694 -3.322 69.838 1.00 30.11 C ATOM 645 OE1 GLU A 108 56.166 -4.265 70.459 1.00 32.40 O ATOM 646 OE2 GLU A 108 56.968 -2.231 70.383 1.00 32.49 O ATOM 647 H GLU A 108 59.313 -5.111 66.995 1.00 0.00 H ATOM 648 N ILE A 109 58.085 -7.864 66.888 1.00 14.25 N ATOM 649 CA ILE A 109 57.790 -9.199 66.379 1.00 13.81 C ATOM 650 C ILE A 109 59.021 -10.095 66.432 1.00 14.16 C ATOM 651 O ILE A 109 58.947 -11.251 66.862 1.00 15.20 O ATOM 652 CB ILE A 109 57.192 -9.151 64.948 1.00 14.32 C ATOM 653 CG1 ILE A 109 55.925 -8.282 64.924 1.00 14.65 C ATOM 654 CG2 ILE A 109 56.910 -10.570 64.454 1.00 16.83 C ATOM 655 CD1 ILE A 109 55.371 -8.019 63.531 1.00 15.77 C ATOM 656 H ILE A 109 58.804 -7.295 66.397 1.00 0.00 H ATOM 657 N ASN A 110 60.172 -9.571 66.004 1.00 14.11 N ATOM 658 CA ASN A 110 61.446 -10.285 66.088 1.00 15.07 C ATOM 659 C ASN A 110 61.429 -11.591 65.289 1.00 15.88 C ATOM 660 O ASN A 110 61.836 -12.652 65.776 1.00 17.23 O ATOM 661 CB ASN A 110 61.876 -10.510 67.539 1.00 15.89 C ATOM 662 CG ASN A 110 63.308 -10.960 67.640 1.00 18.32 C ATOM 663 OD1 ASN A 110 64.125 -10.623 66.783 1.00 19.46 O ATOM 664 ND2 ASN A 110 63.621 -11.744 68.668 1.00 20.05 N ATOM 665 HD22 ASN A 110 62.894 -12.001 69.366 1.00 0.00 H ATOM 666 HD21 ASN A 110 64.592 -12.100 68.773 1.00 0.00 H ATOM 667 H ASN A 110 60.162 -8.615 65.594 1.00 0.00 H ATOM 668 N LEU A 111 60.948 -11.502 64.048 1.00 14.88 N ATOM 669 CA LEU A 111 61.006 -12.583 63.079 1.00 15.36 C ATOM 670 C LEU A 111 61.450 -11.999 61.747 1.00 15.53 C ATOM 671 O LEU A 111 61.237 -10.808 61.493 1.00 15.17 O ATOM 672 CB LEU A 111 59.624 -13.233 62.911 1.00 15.88 C ATOM 673 CG LEU A 111 59.121 -14.016 64.131 1.00 15.32 C ATOM 674 CD1 LEU A 111 57.659 -14.400 63.940 1.00 16.06 C ATOM 675 CD2 LEU A 111 59.968 -15.254 64.408 1.00 17.11 C ATOM 676 H LEU A 111 60.506 -10.607 63.757 1.00 0.00 H ATOM 677 N PRO A 112 62.061 -12.803 60.879 1.00 15.71 N ATOM 678 CA PRO A 112 62.553 -12.261 59.605 1.00 14.85 C ATOM 679 C PRO A 112 61.412 -11.813 58.708 1.00 13.41 C ATOM 680 O PRO A 112 60.316 -12.383 58.719 1.00 13.98 O ATOM 681 CB PRO A 112 63.311 -13.438 58.978 1.00 16.32 C ATOM 682 CG PRO A 112 62.757 -14.661 59.645 1.00 19.34 C ATOM 683 CD PRO A 112 62.359 -14.239 61.036 1.00 17.09 C ATOM 684 N VAL A 113 61.673 -10.754 57.941 1.00 12.79 N ATOM 685 CA VAL A 113 60.732 -10.270 56.935 1.00 12.10 C ATOM 686 C VAL A 113 61.017 -11.030 55.640 1.00 12.27 C ATOM 687 O VAL A 113 62.050 -10.819 54.995 1.00 14.85 O ATOM 688 CB VAL A 113 60.839 -8.751 56.736 1.00 12.43 C ATOM 689 CG1 VAL A 113 59.866 -8.300 55.657 1.00 13.60 C ATOM 690 CG2 VAL A 113 60.573 -7.997 58.047 1.00 13.23 C ATOM 691 H VAL A 113 62.578 -10.256 58.064 1.00 0.00 H ATOM 692 N ALA A 114 60.099 -11.925 55.272 1.00 11.50 N ATOM 693 CA ALA A 114 60.316 -12.807 54.133 1.00 11.58 C ATOM 694 C ALA A 114 60.151 -12.095 52.803 1.00 12.61 C ATOM 695 O ALA A 114 60.834 -12.443 51.836 1.00 14.78 O ATOM 696 CB ALA A 114 59.364 -14.006 54.198 1.00 13.08 C ATOM 697 H ALA A 114 59.211 -11.995 55.809 1.00 0.00 H ATOM 698 N LEU A 115 59.234 -11.134 52.714 1.00 10.67 N ATOM 699 CA LEU A 115 58.982 -10.459 51.450 1.00 11.18 C ATOM 700 C LEU A 115 58.178 -9.202 51.713 1.00 10.12 C ATOM 701 O LEU A 115 57.527 -9.054 52.755 1.00 10.50 O ATOM 702 CB LEU A 115 58.224 -11.358 50.466 1.00 12.11 C ATOM 703 CG LEU A 115 56.819 -11.810 50.884 1.00 14.62 C ATOM 704 CD1 LEU A 115 55.709 -10.872 50.378 1.00 15.56 C ATOM 705 CD2 LEU A 115 56.576 -13.232 50.377 1.00 17.99 C ATOM 706 H LEU A 115 58.691 -10.862 53.558 1.00 0.00 H ATOM 707 N ALA A 116 58.193 -8.327 50.719 1.00 9.24 N ATOM 708 CA ALA A 116 57.316 -7.169 50.682 1.00 10.01 C ATOM 709 C ALA A 116 56.686 -7.087 49.301 1.00 10.33 C ATOM 710 O ALA A 116 57.337 -7.396 48.293 1.00 11.56 O ATOM 711 CB ALA A 116 58.104 -5.879 50.944 1.00 11.30 C ATOM 712 H ALA A 116 58.859 -8.475 49.934 1.00 0.00 H ATOM 713 N VAL A 117 55.411 -6.702 49.253 1.00 9.86 N ATOM 714 CA VAL A 117 54.734 -6.398 47.996 1.00 9.88 C ATOM 715 C VAL A 117 54.295 -4.943 48.049 1.00 8.94 C ATOM 716 O VAL A 117 53.819 -4.467 49.083 1.00 9.65 O ATOM 717 CB VAL A 117 53.554 -7.358 47.735 1.00 11.52 C ATOM 718 CG1 VAL A 117 52.564 -7.344 48.894 1.00 12.82 C ATOM 719 CG2 VAL A 117 52.871 -7.029 46.406 1.00 13.25 C ATOM 720 H VAL A 117 54.880 -6.615 50.143 1.00 0.00 H ATOM 721 N VAL A 118 54.505 -4.221 46.955 1.00 8.79 N ATOM 722 CA VAL A 118 54.197 -2.797 46.894 1.00 10.64 C ATOM 723 C VAL A 118 53.120 -2.592 45.835 1.00 9.67 C ATOM 724 O VAL A 118 53.097 -3.299 44.821 1.00 10.53 O ATOM 725 CB VAL A 118 55.458 -1.942 46.637 1.00 12.35 C ATOM 726 CG1 VAL A 118 56.458 -2.132 47.764 1.00 13.90 C ATOM 727 CG2 VAL A 118 56.090 -2.298 45.311 1.00 14.18 C ATOM 728 H VAL A 118 54.902 -4.686 46.114 1.00 0.00 H ATOM 729 N THR A 119 52.213 -1.641 46.075 1.00 9.32 N ATOM 730 CA THR A 119 50.929 -1.679 45.374 1.00 10.60 C ATOM 731 C THR A 119 50.780 -0.693 44.214 1.00 9.97 C ATOM 732 O THR A 119 49.757 -0.760 43.524 1.00 10.95 O ATOM 733 CB THR A 119 49.745 -1.578 46.348 1.00 10.43 C ATOM 734 OG1 THR A 119 49.815 -0.355 47.083 1.00 10.84 O ATOM 735 CG2 THR A 119 49.754 -2.754 47.316 1.00 11.61 C ATOM 736 HG1 THR A 119 50.661 -0.328 47.596 1.00 0.00 H ATOM 737 H THR A 119 52.418 -0.880 46.754 1.00 0.00 H ATOM 738 N HIS A 120 51.741 0.214 43.991 1.00 10.02 N ATOM 739 CA HIS A 120 51.879 0.946 42.724 1.00 11.24 C ATOM 740 C HIS A 120 53.108 1.846 42.801 1.00 11.39 C ATOM 741 O HIS A 120 53.697 2.034 43.872 1.00 11.02 O ATOM 742 CB HIS A 120 50.639 1.729 42.246 1.00 11.91 C ATOM 743 CG HIS A 120 50.259 2.889 43.111 1.00 12.56 C ATOM 744 ND1 HIS A 120 49.479 2.753 44.238 1.00 13.89 N ATOM 745 CD2 HIS A 120 50.519 4.213 42.990 1.00 12.15 C ATOM 746 CE1 HIS A 120 49.285 3.942 44.784 1.00 13.88 C ATOM 747 NE2 HIS A 120 49.900 4.847 44.041 1.00 12.99 N ATOM 748 H HIS A 120 52.423 0.410 44.752 1.00 0.00 H ATOM 749 N ALA A 121 53.478 2.412 41.645 1.00 10.78 N ATOM 750 CA ALA A 121 54.745 3.137 41.495 1.00 11.27 C ATOM 751 C ALA A 121 54.595 4.630 41.827 1.00 11.21 C ATOM 752 O ALA A 121 54.882 5.513 41.016 1.00 13.85 O ATOM 753 CB ALA A 121 55.324 2.922 40.098 1.00 12.03 C ATOM 754 H ALA A 121 52.844 2.335 40.824 1.00 0.00 H ATOM 755 N HIS A 122 54.159 4.907 43.057 1.00 11.83 N ATOM 756 CA HIS A 122 54.191 6.246 43.634 1.00 12.27 C ATOM 757 C HIS A 122 54.984 6.191 44.937 1.00 11.22 C ATOM 758 O HIS A 122 55.140 5.126 45.545 1.00 11.13 O ATOM 759 CB HIS A 122 52.778 6.803 43.902 1.00 12.89 C ATOM 760 CG HIS A 122 52.103 7.384 42.694 1.00 15.29 C ATOM 761 ND1 HIS A 122 50.738 7.583 42.631 1.00 16.14 N ATOM 762 CD2 HIS A 122 52.601 7.837 41.516 1.00 17.37 C ATOM 763 CE1 HIS A 122 50.426 8.130 41.469 1.00 16.84 C ATOM 764 NE2 HIS A 122 51.536 8.287 40.772 1.00 19.24 N ATOM 765 H HIS A 122 53.777 4.130 43.633 1.00 0.00 H ATOM 766 N GLN A 123 55.451 7.366 45.386 1.00 11.79 N ATOM 767 CA GLN A 123 56.398 7.433 46.500 1.00 13.16 C ATOM 768 C GLN A 123 55.815 6.882 47.794 1.00 11.33 C ATOM 769 O GLN A 123 56.543 6.278 48.595 1.00 11.59 O ATOM 770 CB GLN A 123 56.897 8.862 46.722 1.00 14.89 C ATOM 771 CG GLN A 123 58.058 8.890 47.712 1.00 16.08 C ATOM 772 CD GLN A 123 58.456 10.272 48.139 1.00 18.86 C ATOM 773 OE1 GLN A 123 58.096 11.260 47.509 1.00 19.68 O ATOM 774 NE2 GLN A 123 59.219 10.350 49.220 1.00 19.88 N ATOM 775 HE22 GLN A 123 59.499 9.484 49.722 1.00 0.00 H ATOM 776 HE21 GLN A 123 59.537 11.278 49.566 1.00 0.00 H ATOM 777 H GLN A 123 55.134 8.247 44.933 1.00 0.00 H ATOM 778 N ASP A 124 54.516 7.103 48.039 1.00 11.40 N ATOM 779 CA ASP A 124 53.924 6.618 49.289 1.00 11.66 C ATOM 780 C ASP A 124 53.992 5.095 49.402 1.00 10.64 C ATOM 781 O ASP A 124 54.013 4.556 50.516 1.00 11.70 O ATOM 782 CB ASP A 124 52.497 7.183 49.553 1.00 12.13 C ATOM 783 CG ASP A 124 51.501 7.028 48.366 1.00 15.76 C ATOM 784 OD1 ASP A 124 51.978 6.765 47.255 1.00 15.52 O ATOM 785 OD2 ASP A 124 50.233 7.207 48.528 1.00 17.84 O ATOM 786 H ASP A 124 53.932 7.615 47.347 1.00 0.00 H ATOM 787 N LYS A 125 54.063 4.388 48.270 1.00 10.97 N ATOM 788 CA LYS A 125 54.027 2.931 48.268 1.00 10.96 C ATOM 789 C LYS A 125 55.365 2.289 47.962 1.00 10.34 C ATOM 790 O LYS A 125 55.604 1.151 48.387 1.00 10.38 O ATOM 791 CB LYS A 125 53.005 2.424 47.233 1.00 11.62 C ATOM 792 CG LYS A 125 51.682 3.184 47.187 1.00 12.76 C ATOM 793 CD LYS A 125 50.724 2.713 48.276 1.00 13.38 C ATOM 794 CE LYS A 125 50.969 3.381 49.622 1.00 12.98 C ATOM 795 NZ LYS A 125 50.100 2.749 50.661 1.00 14.13 N ATOM 796 HZ1 LYS A 125 49.102 2.865 50.394 1.00 0.00 H ATOM 797 HZ2 LYS A 125 50.326 1.736 50.731 1.00 0.00 H ATOM 798 HZ3 LYS A 125 50.270 3.208 51.579 1.00 0.00 H ATOM 799 H LYS A 125 54.146 4.892 47.364 1.00 0.00 H ATOM 800 N MET A 126 56.239 2.973 47.224 1.00 10.48 N ATOM 801 CA MET A 126 57.506 2.399 46.795 1.00 10.31 C ATOM 802 C MET A 126 58.717 3.244 47.157 1.00 10.92 C ATOM 803 O MET A 126 59.839 2.852 46.821 1.00 11.77 O ATOM 804 CB MET A 126 57.518 2.141 45.275 1.00 9.61 C ATOM 805 CG MET A 126 56.566 1.054 44.836 1.00 10.09 C ATOM 806 SD MET A 126 56.609 0.602 43.084 1.00 11.61 S ATOM 807 CE MET A 126 58.242 -0.152 42.939 1.00 11.98 C ATOM 808 H MET A 126 56.008 3.948 46.946 1.00 0.00 H ATOM 809 N GLY A 127 58.531 4.372 47.846 1.00 10.96 N ATOM 810 CA GLY A 127 59.640 5.266 48.121 1.00 11.81 C ATOM 811 C GLY A 127 60.755 4.666 48.949 1.00 11.14 C ATOM 812 O GLY A 127 61.877 5.185 48.918 1.00 13.64 O ATOM 813 H GLY A 127 57.580 4.613 48.190 1.00 0.00 H ATOM 814 N GLY A 128 60.488 3.582 49.677 1.00 10.98 N ATOM 815 CA GLY A 128 61.495 3.001 50.548 1.00 11.81 C ATOM 816 C GLY A 128 62.076 1.690 50.046 1.00 10.60 C ATOM 817 O GLY A 128 62.637 0.923 50.834 1.00 11.49 O ATOM 818 H GLY A 128 59.545 3.146 49.621 1.00 0.00 H ATOM 819 N MET A 129 61.979 1.431 48.735 1.00 11.67 N ATOM 820 CA MET A 129 62.472 0.173 48.181 1.00 11.77 C ATOM 821 C MET A 129 63.932 -0.093 48.551 1.00 12.43 C ATOM 822 O MET A 129 64.298 -1.229 48.882 1.00 13.48 O ATOM 823 CB MET A 129 62.288 0.193 46.665 1.00 12.43 C ATOM 824 CG MET A 129 62.543 -1.125 45.992 1.00 11.33 C ATOM 825 SD MET A 129 61.406 -2.425 46.487 1.00 11.64 S ATOM 826 CE MET A 129 59.919 -1.900 45.640 1.00 11.82 C ATOM 827 H MET A 129 61.547 2.135 48.103 1.00 0.00 H ATOM 828 N ASP A 130 64.790 0.939 48.484 1.00 13.57 N ATOM 829 CA ASP A 130 66.215 0.748 48.783 1.00 15.39 C ATOM 830 C ASP A 130 66.422 0.200 50.191 1.00 15.33 C ATOM 831 O ASP A 130 67.311 -0.626 50.411 1.00 15.88 O ATOM 832 CB ASP A 130 67.001 2.058 48.600 1.00 16.75 C ATOM 833 CG ASP A 130 67.475 2.290 47.156 1.00 19.97 C ATOM 834 OD1 ASP A 130 67.499 1.338 46.361 1.00 20.18 O ATOM 835 OD2 ASP A 130 67.864 3.436 46.820 1.00 23.86 O ATOM 836 H ASP A 130 64.442 1.882 48.218 1.00 0.00 H ATOM 837 N ALA A 131 65.619 0.651 51.159 1.00 15.75 N ATOM 838 CA ALA A 131 65.755 0.146 52.524 1.00 15.42 C ATOM 839 C ALA A 131 65.411 -1.339 52.610 1.00 15.00 C ATOM 840 O ALA A 131 66.049 -2.089 53.361 1.00 15.98 O ATOM 841 CB ALA A 131 64.894 0.965 53.481 1.00 15.71 C ATOM 842 H ALA A 131 64.894 1.364 50.940 1.00 0.00 H ATOM 843 N LEU A 132 64.395 -1.779 51.861 1.00 13.81 N ATOM 844 CA LEU A 132 64.083 -3.205 51.823 1.00 13.98 C ATOM 845 C LEU A 132 65.225 -3.991 51.201 1.00 14.64 C ATOM 846 O LEU A 132 65.606 -5.057 51.701 1.00 16.02 O ATOM 847 CB LEU A 132 62.788 -3.451 51.051 1.00 13.71 C ATOM 848 CG LEU A 132 61.543 -2.773 51.619 1.00 12.92 C ATOM 849 CD1 LEU A 132 60.345 -3.114 50.757 1.00 13.32 C ATOM 850 CD2 LEU A 132 61.291 -3.178 53.064 1.00 14.53 C ATOM 851 H LEU A 132 63.828 -1.107 51.306 1.00 0.00 H ATOM 852 N HIS A 133 65.792 -3.475 50.112 1.00 15.20 N ATOM 853 CA HIS A 133 66.898 -4.174 49.471 1.00 16.72 C ATOM 854 C HIS A 133 68.143 -4.180 50.346 1.00 16.56 C ATOM 855 O HIS A 133 68.837 -5.199 50.426 1.00 18.19 O ATOM 856 CB HIS A 133 67.157 -3.553 48.106 1.00 17.72 C ATOM 857 CG HIS A 133 66.010 -3.734 47.168 1.00 19.36 C ATOM 858 ND1 HIS A 133 65.869 -3.013 46.003 1.00 21.00 N ATOM 859 CD2 HIS A 133 64.941 -4.564 47.230 1.00 19.47 C ATOM 860 CE1 HIS A 133 64.769 -3.399 45.380 1.00 19.70 C ATOM 861 NE2 HIS A 133 64.182 -4.334 46.109 1.00 20.30 N ATOM 862 H HIS A 133 65.446 -2.576 49.720 1.00 0.00 H ATOM 863 N ALA A 134 68.436 -3.063 51.019 1.00 18.48 N ATOM 864 CA ALA A 134 69.577 -3.039 51.935 1.00 19.20 C ATOM 865 C ALA A 134 69.424 -4.076 53.044 1.00 19.23 C ATOM 866 O ALA A 134 70.424 -4.627 53.519 1.00 21.23 O ATOM 867 CB ALA A 134 69.750 -1.640 52.533 1.00 20.01 C ATOM 868 H ALA A 134 67.853 -2.211 50.892 1.00 0.00 H ATOM 869 N ALA A 135 68.186 -4.370 53.447 1.00 17.85 N ATOM 870 CA ALA A 135 67.889 -5.351 54.482 1.00 18.42 C ATOM 871 C ALA A 135 67.846 -6.780 53.960 1.00 18.41 C ATOM 872 O ALA A 135 67.693 -7.708 54.763 1.00 21.45 O ATOM 873 CB ALA A 135 66.553 -5.015 55.153 1.00 18.40 C ATOM 874 H ALA A 135 67.391 -3.872 52.998 1.00 0.00 H ATOM 875 N GLY A 136 67.974 -6.984 52.651 1.00 18.53 N ATOM 876 CA GLY A 136 67.934 -8.321 52.089 1.00 19.18 C ATOM 877 C GLY A 136 66.550 -8.910 51.913 1.00 18.62 C ATOM 878 O GLY A 136 66.411 -10.135 51.866 1.00 21.13 O ATOM 879 H GLY A 136 68.105 -6.169 52.019 1.00 0.00 H ATOM 880 N ILE A 137 65.520 -8.081 51.800 1.00 15.92 N ATOM 881 CA ILE A 137 64.139 -8.549 51.721 1.00 14.77 C ATOM 882 C ILE A 137 63.735 -8.685 50.258 1.00 15.15 C ATOM 883 O ILE A 137 63.950 -7.768 49.459 1.00 16.58 O ATOM 884 CB ILE A 137 63.207 -7.585 52.474 1.00 13.17 C ATOM 885 CG1 ILE A 137 63.551 -7.597 53.972 1.00 13.55 C ATOM 886 CG2 ILE A 137 61.728 -7.943 52.230 1.00 13.59 C ATOM 887 CD1 ILE A 137 63.015 -6.404 54.722 1.00 14.46 C ATOM 888 H ILE A 137 65.703 -7.058 51.766 1.00 0.00 H ATOM 889 N ALA A 138 63.153 -9.833 49.904 1.00 13.69 N ATOM 890 CA ALA A 138 62.663 -10.037 48.545 1.00 14.33 C ATOM 891 C ALA A 138 61.465 -9.130 48.289 1.00 12.38 C ATOM 892 O ALA A 138 60.531 -9.076 49.096 1.00 12.92 O ATOM 893 CB ALA A 138 62.233 -11.489 48.366 1.00 15.41 C ATOM 894 H ALA A 138 63.047 -10.592 50.607 1.00 0.00 H ATOM 895 N THR A 139 61.471 -8.433 47.151 1.00 12.05 N ATOM 896 CA THR A 139 60.434 -7.446 46.871 1.00 12.04 C ATOM 897 C THR A 139 59.677 -7.778 45.592 1.00 11.97 C ATOM 898 O THR A 139 60.260 -8.265 44.615 1.00 11.87 O ATOM 899 CB THR A 139 61.024 -6.036 46.770 1.00 13.44 C ATOM 900 OG1 THR A 139 62.078 -6.021 45.799 1.00 13.12 O ATOM 901 CG2 THR A 139 61.560 -5.568 48.127 1.00 14.38 C ATOM 902 HG1 THR A 139 62.456 -5.108 45.738 1.00 0.00 H ATOM 903 H THR A 139 62.226 -8.596 46.454 1.00 0.00 H ATOM 904 N TYR A 140 58.376 -7.469 45.605 1.00 11.41 N ATOM 905 CA TYR A 140 57.442 -7.807 44.534 1.00 11.48 C ATOM 906 C TYR A 140 56.574 -6.601 44.206 1.00 11.11 C ATOM 907 O TYR A 140 56.147 -5.868 45.103 1.00 11.70 O ATOM 908 CB TYR A 140 56.517 -8.966 44.962 1.00 11.75 C ATOM 909 CG TYR A 140 57.284 -10.244 45.200 1.00 12.20 C ATOM 910 CD1 TYR A 140 57.931 -10.481 46.407 1.00 12.43 C ATOM 911 CD2 TYR A 140 57.374 -11.210 44.205 1.00 12.95 C ATOM 912 CE1 TYR A 140 58.668 -11.647 46.608 1.00 13.55 C ATOM 913 CE2 TYR A 140 58.096 -12.371 44.393 1.00 13.90 C ATOM 914 CZ TYR A 140 58.745 -12.583 45.597 1.00 14.10 C ATOM 915 OH TYR A 140 59.466 -13.737 45.797 1.00 17.18 O ATOM 916 HH TYR A 140 60.188 -13.795 45.122 1.00 0.00 H ATOM 917 H TYR A 140 58.006 -6.955 46.430 1.00 0.00 H ATOM 918 N ALA A 141 56.299 -6.412 42.917 1.00 10.22 N ATOM 919 CA ALA A 141 55.347 -5.410 42.468 1.00 11.20 C ATOM 920 C ALA A 141 54.756 -5.882 41.152 1.00 11.02 C ATOM 921 O ALA A 141 55.330 -6.730 40.466 1.00 11.21 O ATOM 922 CB ALA A 141 56.017 -4.049 42.269 1.00 11.47 C ATOM 923 H ALA A 141 56.781 -7.001 42.208 1.00 0.00 H ATOM 924 N ASN A 142 53.597 -5.323 40.806 1.00 10.89 N ATOM 925 CA ASN A 142 53.056 -5.468 39.461 1.00 11.82 C ATOM 926 C ASN A 142 54.160 -5.198 38.440 1.00 11.77 C ATOM 927 O ASN A 142 54.932 -4.246 38.582 1.00 12.15 O ATOM 928 CB ASN A 142 51.924 -4.443 39.310 1.00 12.08 C ATOM 929 CG ASN A 142 51.171 -4.550 37.986 1.00 13.28 C ATOM 930 OD1 ASN A 142 51.580 -5.257 37.060 1.00 15.07 O ATOM 931 ND2 ASN A 142 50.047 -3.840 37.901 1.00 13.54 N ATOM 932 HD22 ASN A 142 49.738 -3.257 38.705 1.00 0.00 H ATOM 933 HD21 ASN A 142 49.478 -3.869 37.031 1.00 0.00 H ATOM 934 H ASN A 142 53.067 -4.772 41.511 1.00 0.00 H ATOM 935 N ALA A 143 54.268 -6.078 37.436 1.00 13.09 N ATOM 936 CA ALA A 143 55.214 -5.850 36.343 1.00 13.25 C ATOM 937 C ALA A 143 55.143 -4.413 35.831 1.00 12.56 C ATOM 938 O ALA A 143 56.175 -3.776 35.570 1.00 13.90 O ATOM 939 CB ALA A 143 54.938 -6.832 35.199 1.00 14.31 C ATOM 940 H ALA A 143 53.674 -6.932 37.433 1.00 0.00 H ATOM 941 N LEU A 144 53.931 -3.876 35.697 1.00 13.17 N ATOM 942 CA LEU A 144 53.793 -2.510 35.201 1.00 13.10 C ATOM 943 C LEU A 144 54.377 -1.490 36.177 1.00 12.66 C ATOM 944 O LEU A 144 54.940 -0.473 35.754 1.00 12.95 O ATOM 945 CB LEU A 144 52.324 -2.205 34.932 1.00 13.96 C ATOM 946 CG LEU A 144 52.035 -0.822 34.355 1.00 15.66 C ATOM 947 CD1 LEU A 144 52.826 -0.573 33.065 1.00 16.72 C ATOM 948 CD2 LEU A 144 50.549 -0.661 34.105 1.00 17.38 C ATOM 949 H LEU A 144 53.086 -4.429 35.945 1.00 0.00 H ATOM 950 N SER A 145 54.245 -1.731 37.486 1.00 11.39 N ATOM 951 CA SER A 145 54.877 -0.844 38.460 1.00 10.97 C ATOM 952 C SER A 145 56.386 -0.847 38.296 1.00 11.71 C ATOM 953 O SER A 145 57.030 0.204 38.382 1.00 12.41 O ATOM 954 CB SER A 145 54.541 -1.276 39.889 1.00 10.97 C ATOM 955 OG SER A 145 53.147 -1.350 40.097 1.00 11.45 O ATOM 956 HG SER A 145 52.743 -0.461 39.936 1.00 0.00 H ATOM 957 H SER A 145 53.692 -2.550 37.811 1.00 0.00 H ATOM 958 N ASN A 146 56.977 -2.026 38.068 1.00 11.91 N ATOM 959 CA ASN A 146 58.425 -2.082 37.901 1.00 12.75 C ATOM 960 C ASN A 146 58.855 -1.382 36.623 1.00 13.22 C ATOM 961 O ASN A 146 59.902 -0.726 36.592 1.00 14.56 O ATOM 962 CB ASN A 146 58.909 -3.530 37.929 1.00 12.33 C ATOM 963 CG ASN A 146 58.800 -4.133 39.307 1.00 11.52 C ATOM 964 OD1 ASN A 146 58.870 -3.416 40.303 1.00 12.82 O ATOM 965 ND2 ASN A 146 58.624 -5.447 39.378 1.00 14.29 N ATOM 966 HD22 ASN A 146 58.571 -6.012 38.507 1.00 0.00 H ATOM 967 HD21 ASN A 146 58.539 -5.911 40.305 1.00 0.00 H ATOM 968 H ASN A 146 56.409 -2.895 38.010 1.00 0.00 H ATOM 969 N GLN A 147 58.052 -1.499 35.566 1.00 13.61 N ATOM 970 CA GLN A 147 58.361 -0.797 34.327 1.00 15.01 C ATOM 971 C GLN A 147 58.309 0.714 34.526 1.00 13.43 C ATOM 972 O GLN A 147 59.151 1.448 33.996 1.00 14.05 O ATOM 973 CB GLN A 147 57.370 -1.212 33.242 1.00 16.98 C ATOM 974 CG GLN A 147 57.673 -0.603 31.882 1.00 23.12 C ATOM 975 CD GLN A 147 56.492 -0.693 30.928 1.00 30.07 C ATOM 976 OE1 GLN A 147 55.982 0.324 30.456 1.00 33.06 O ATOM 977 NE2 GLN A 147 56.049 -1.912 30.647 1.00 32.50 N ATOM 978 HE22 GLN A 147 56.511 -2.743 31.069 1.00 0.00 H ATOM 979 HE21 GLN A 147 55.240 -2.036 30.005 1.00 0.00 H ATOM 980 H GLN A 147 57.201 -2.094 35.626 1.00 0.00 H ATOM 981 N LEU A 148 57.316 1.195 35.279 1.00 12.50 N ATOM 982 CA LEU A 148 57.133 2.625 35.498 1.00 13.06 C ATOM 983 C LEU A 148 58.095 3.198 36.528 1.00 13.23 C ATOM 984 O LEU A 148 58.303 4.417 36.547 1.00 13.36 O ATOM 985 CB LEU A 148 55.705 2.906 35.977 1.00 13.69 C ATOM 986 CG LEU A 148 54.575 2.690 34.975 1.00 14.46 C ATOM 987 CD1 LEU A 148 53.223 2.769 35.665 1.00 15.64 C ATOM 988 CD2 LEU A 148 54.668 3.703 33.844 1.00 17.00 C ATOM 989 H LEU A 148 56.652 0.529 35.723 1.00 0.00 H ATOM 990 N ALA A 149 58.656 2.357 37.395 1.00 12.92 N ATOM 991 CA ALA A 149 59.404 2.862 38.546 1.00 13.11 C ATOM 992 C ALA A 149 60.464 3.893 38.180 1.00 13.01 C ATOM 993 O ALA A 149 60.454 4.985 38.773 1.00 12.90 O ATOM 994 CB ALA A 149 59.957 1.690 39.370 1.00 14.46 C ATOM 995 H ALA A 149 58.561 1.331 37.252 1.00 0.00 H ATOM 996 N PRO A 150 61.377 3.636 37.233 1.00 13.83 N ATOM 997 CA PRO A 150 62.417 4.641 36.946 1.00 15.60 C ATOM 998 C PRO A 150 61.871 6.014 36.596 1.00 15.51 C ATOM 999 O PRO A 150 62.345 7.013 37.151 1.00 16.21 O ATOM 1000 CB PRO A 150 63.215 4.003 35.797 1.00 16.36 C ATOM 1001 CG PRO A 150 63.008 2.538 35.976 1.00 16.27 C ATOM 1002 CD PRO A 150 61.588 2.397 36.460 1.00 13.92 C ATOM 1003 N GLN A 151 60.888 6.102 35.692 1.00 14.49 N ATOM 1004 CA GLN A 151 60.373 7.417 35.314 1.00 15.25 C ATOM 1005 C GLN A 151 59.637 8.103 36.460 1.00 15.61 C ATOM 1006 O GLN A 151 59.550 9.338 36.481 1.00 16.46 O ATOM 1007 CB GLN A 151 59.482 7.317 34.068 1.00 16.16 C ATOM 1008 CG GLN A 151 58.076 6.748 34.326 1.00 16.00 C ATOM 1009 CD GLN A 151 57.390 6.264 33.052 1.00 16.16 C ATOM 1010 OE1 GLN A 151 57.831 5.298 32.414 1.00 18.41 O ATOM 1011 NE2 GLN A 151 56.295 6.918 32.693 1.00 16.37 N ATOM 1012 HE22 GLN A 151 55.961 7.724 33.259 1.00 0.00 H ATOM 1013 HE21 GLN A 151 55.769 6.625 31.845 1.00 0.00 H ATOM 1014 H GLN A 151 60.493 5.241 35.262 1.00 0.00 H ATOM 1015 N GLU A 152 59.126 7.338 37.418 1.00 14.05 N ATOM 1016 CA GLU A 152 58.480 7.901 38.596 1.00 13.96 C ATOM 1017 C GLU A 152 59.470 8.246 39.694 1.00 14.47 C ATOM 1018 O GLU A 152 59.052 8.710 40.761 1.00 15.52 O ATOM 1019 CB GLU A 152 57.427 6.928 39.129 1.00 14.16 C ATOM 1020 CG GLU A 152 56.368 6.559 38.128 1.00 14.28 C ATOM 1021 CD GLU A 152 55.582 7.764 37.656 1.00 17.94 C ATOM 1022 OE1 GLU A 152 55.332 8.678 38.482 1.00 17.52 O ATOM 1023 OE2 GLU A 152 55.205 7.787 36.465 1.00 21.00 O ATOM 1024 H GLU A 152 59.189 6.304 37.324 1.00 0.00 H ATOM 1025 N GLY A 153 60.766 8.051 39.460 1.00 14.40 N ATOM 1026 CA GLY A 153 61.745 8.288 40.501 1.00 14.72 C ATOM 1027 C GLY A 153 61.795 7.205 41.547 1.00 15.13 C ATOM 1028 O GLY A 153 62.329 7.435 42.635 1.00 16.03 O ATOM 1029 H GLY A 153 61.078 7.726 38.523 1.00 0.00 H ATOM 1030 N MET A 154 61.251 6.031 41.254 1.00 13.93 N ATOM 1031 CA MET A 154 61.237 4.916 42.183 1.00 13.86 C ATOM 1032 C MET A 154 62.288 3.895 41.771 1.00 14.32 C ATOM 1033 O MET A 154 62.750 3.862 40.627 1.00 16.87 O ATOM 1034 CB MET A 154 59.871 4.225 42.174 1.00 14.03 C ATOM 1035 CG MET A 154 58.719 5.111 42.586 1.00 13.88 C ATOM 1036 SD MET A 154 58.783 5.621 44.317 1.00 13.65 S ATOM 1037 CE MET A 154 59.187 7.352 44.181 1.00 15.28 C ATOM 1038 H MET A 154 60.816 5.904 40.318 1.00 0.00 H ATOM 1039 N VAL A 155 62.640 3.034 42.721 1.00 14.50 N ATOM 1040 CA VAL A 155 63.465 1.864 42.461 1.00 15.35 C ATOM 1041 C VAL A 155 62.526 0.682 42.244 1.00 14.48 C ATOM 1042 O VAL A 155 61.600 0.459 43.037 1.00 15.25 O ATOM 1043 CB VAL A 155 64.433 1.613 43.630 1.00 17.01 C ATOM 1044 CG1 VAL A 155 65.224 0.318 43.430 1.00 17.48 C ATOM 1045 CG2 VAL A 155 65.366 2.807 43.785 1.00 18.79 C ATOM 1046 H VAL A 155 62.311 3.204 43.693 1.00 0.00 H ATOM 1047 N ALA A 156 62.744 -0.070 41.167 1.00 14.13 N ATOM 1048 CA ALA A 156 61.895 -1.227 40.893 1.00 14.23 C ATOM 1049 C ALA A 156 62.049 -2.297 41.972 1.00 13.81 C ATOM 1050 O ALA A 156 63.112 -2.459 42.582 1.00 15.67 O ATOM 1051 CB ALA A 156 62.248 -1.846 39.540 1.00 16.17 C ATOM 1052 H ALA A 156 63.522 0.167 40.518 1.00 0.00 H ATOM 1053 N ALA A 157 60.967 -3.042 42.202 1.00 13.31 N ATOM 1054 CA ALA A 157 61.068 -4.259 42.994 1.00 13.22 C ATOM 1055 C ALA A 157 61.883 -5.302 42.235 1.00 14.01 C ATOM 1056 O ALA A 157 62.080 -5.216 41.016 1.00 14.94 O ATOM 1057 CB ALA A 157 59.679 -4.815 43.298 1.00 13.02 C ATOM 1058 H ALA A 157 60.047 -2.752 41.814 1.00 0.00 H ATOM 1059 N GLN A 158 62.349 -6.311 42.977 1.00 14.09 N ATOM 1060 CA GLN A 158 63.201 -7.336 42.383 1.00 15.36 C ATOM 1061 C GLN A 158 62.409 -8.299 41.512 1.00 14.92 C ATOM 1062 O GLN A 158 62.965 -8.874 40.567 1.00 17.93 O ATOM 1063 CB GLN A 158 63.926 -8.104 43.485 1.00 19.01 C ATOM 1064 CG GLN A 158 64.957 -7.272 44.219 1.00 23.86 C ATOM 1065 CD GLN A 158 65.396 -7.914 45.519 1.00 27.30 C ATOM 1066 OE1 GLN A 158 64.688 -8.754 46.082 1.00 28.99 O ATOM 1067 NE2 GLN A 158 66.568 -7.520 46.006 1.00 28.62 N ATOM 1068 HE22 GLN A 158 67.130 -6.809 45.496 1.00 0.00 H ATOM 1069 HE21 GLN A 158 66.923 -7.923 46.897 1.00 0.00 H ATOM 1070 H GLN A 158 62.102 -6.366 43.986 1.00 0.00 H ATOM 1071 N HIS A 159 61.124 -8.486 41.805 1.00 13.92 N ATOM 1072 CA HIS A 159 60.295 -9.473 41.134 1.00 13.81 C ATOM 1073 C HIS A 159 59.015 -8.824 40.636 1.00 14.00 C ATOM 1074 O HIS A 159 58.476 -7.909 41.264 1.00 13.84 O ATOM 1075 CB HIS A 159 59.929 -10.618 42.078 1.00 15.59 C ATOM 1076 CG HIS A 159 61.115 -11.294 42.686 1.00 17.53 C ATOM 1077 ND1 HIS A 159 61.911 -12.170 41.982 1.00 19.69 N ATOM 1078 CD2 HIS A 159 61.639 -11.227 43.933 1.00 17.56 C ATOM 1079 CE1 HIS A 159 62.877 -12.610 42.768 1.00 20.13 C ATOM 1080 NE2 HIS A 159 62.738 -12.053 43.955 1.00 19.75 N ATOM 1081 H HIS A 159 60.694 -7.899 42.548 1.00 0.00 H ATOM 1082 N SER A 160 58.526 -9.317 39.506 1.00 14.50 N ATOM 1083 CA SER A 160 57.336 -8.776 38.866 1.00 14.47 C ATOM 1084 C SER A 160 56.167 -9.742 38.990 1.00 13.35 C ATOM 1085 O SER A 160 56.283 -10.925 38.640 1.00 15.56 O ATOM 1086 CB SER A 160 57.595 -8.470 37.389 1.00 15.28 C ATOM 1087 OG SER A 160 58.505 -7.394 37.229 1.00 16.22 O ATOM 1088 HG SER A 160 59.367 -7.626 37.656 1.00 0.00 H ATOM 1089 H SER A 160 59.012 -10.121 39.060 1.00 0.00 H ATOM 1090 N LEU A 161 55.032 -9.223 39.445 1.00 12.64 N ATOM 1091 CA LEU A 161 53.783 -9.963 39.452 1.00 13.22 C ATOM 1092 C LEU A 161 53.081 -9.791 38.113 1.00 13.58 C ATOM 1093 O LEU A 161 53.076 -8.705 37.530 1.00 15.14 O ATOM 1094 CB LEU A 161 52.862 -9.430 40.549 1.00 13.57 C ATOM 1095 CG LEU A 161 53.421 -9.471 41.972 1.00 14.56 C ATOM 1096 CD1 LEU A 161 52.391 -8.920 42.951 1.00 15.03 C ATOM 1097 CD2 LEU A 161 53.812 -10.896 42.342 1.00 16.25 C ATOM 1098 H LEU A 161 55.038 -8.249 39.810 1.00 0.00 H ATOM 1099 N THR A 162 52.494 -10.871 37.622 1.00 14.70 N ATOM 1100 CA THR A 162 51.608 -10.783 36.474 1.00 16.86 C ATOM 1101 C THR A 162 50.253 -11.350 36.870 1.00 16.35 C ATOM 1102 O THR A 162 50.125 -12.056 37.878 1.00 16.78 O ATOM 1103 CB THR A 162 52.180 -11.477 35.230 1.00 19.94 C ATOM 1104 OG1 THR A 162 52.276 -12.878 35.476 1.00 21.56 O ATOM 1105 CG2 THR A 162 53.560 -10.928 34.891 1.00 21.21 C ATOM 1106 HG1 THR A 162 52.645 -13.328 34.675 1.00 0.00 H ATOM 1107 H THR A 162 52.670 -11.796 38.064 1.00 0.00 H ATOM 1108 N PHE A 163 49.230 -10.996 36.096 1.00 18.48 N ATOM 1109 CA PHE A 163 47.857 -11.223 36.510 1.00 18.56 C ATOM 1110 C PHE A 163 47.078 -11.903 35.402 1.00 21.13 C ATOM 1111 O PHE A 163 47.301 -11.641 34.216 1.00 21.35 O ATOM 1112 CB PHE A 163 47.193 -9.905 36.918 1.00 18.85 C ATOM 1113 CG PHE A 163 47.868 -9.263 38.087 1.00 16.63 C ATOM 1114 CD1 PHE A 163 48.969 -8.441 37.901 1.00 17.15 C ATOM 1115 CD2 PHE A 163 47.450 -9.544 39.376 1.00 16.03 C ATOM 1116 CE1 PHE A 163 49.624 -7.889 38.989 1.00 16.95 C ATOM 1117 CE2 PHE A 163 48.095 -8.985 40.471 1.00 15.61 C ATOM 1118 CZ PHE A 163 49.189 -8.165 40.275 1.00 16.87 C ATOM 1119 H PHE A 163 49.418 -10.548 35.176 1.00 0.00 H ATOM 1120 N ALA A 164 46.173 -12.788 35.807 1.00 21.91 N ATOM 1121 CA ALA A 164 45.260 -13.415 34.873 1.00 23.34 C ATOM 1122 C ALA A 164 44.273 -12.378 34.348 1.00 23.62 C ATOM 1123 O ALA A 164 44.156 -11.266 34.877 1.00 23.73 O ATOM 1124 CB ALA A 164 44.505 -14.553 35.557 1.00 23.44 C ATOM 1125 H ALA A 164 46.119 -13.036 36.816 1.00 0.00 H ATOM 1126 N ALA A 165 43.550 -12.760 33.293 1.00 24.22 N ATOM 1127 CA ALA A 165 42.578 -11.851 32.699 1.00 25.26 C ATOM 1128 C ALA A 165 41.532 -11.401 33.710 1.00 25.53 C ATOM 1129 O ALA A 165 41.045 -10.266 33.634 1.00 27.32 O ATOM 1130 CB ALA A 165 41.915 -12.510 31.487 1.00 26.14 C ATOM 1131 H ALA A 165 43.681 -13.711 32.893 1.00 0.00 H ATOM 1132 N ASN A 166 41.187 -12.260 34.669 1.00 25.03 N ATOM 1133 CA ASN A 166 40.198 -11.911 35.684 1.00 25.85 C ATOM 1134 C ASN A 166 40.768 -11.114 36.853 1.00 24.51 C ATOM 1135 O ASN A 166 40.018 -10.783 37.776 1.00 24.82 O ATOM 1136 CB ASN A 166 39.454 -13.154 36.184 1.00 27.09 C ATOM 1137 CG ASN A 166 40.334 -14.108 36.988 1.00 28.62 C ATOM 1138 OD1 ASN A 166 41.487 -13.820 37.309 1.00 28.12 O ATOM 1139 ND2 ASN A 166 39.773 -15.261 37.323 1.00 30.69 N ATOM 1140 HD22 ASN A 166 38.796 -15.468 37.033 1.00 0.00 H ATOM 1141 HD21 ASN A 166 40.310 -15.959 37.876 1.00 0.00 H ATOM 1142 H ASN A 166 41.632 -13.200 34.695 1.00 0.00 H ATOM 1143 N GLY A 167 42.058 -10.805 36.853 1.00 22.38 N ATOM 1144 CA GLY A 167 42.626 -9.933 37.850 1.00 20.12 C ATOM 1145 C GLY A 167 43.435 -10.617 38.933 1.00 19.13 C ATOM 1146 O GLY A 167 44.248 -9.949 39.575 1.00 17.34 O ATOM 1147 H GLY A 167 42.675 -11.202 36.115 1.00 0.00 H ATOM 1148 N TRP A 168 43.243 -11.914 39.163 1.00 18.94 N ATOM 1149 CA TRP A 168 43.991 -12.580 40.224 1.00 19.15 C ATOM 1150 C TRP A 168 45.445 -12.778 39.816 1.00 17.69 C ATOM 1151 O TRP A 168 45.747 -13.077 38.655 1.00 19.06 O ATOM 1152 CB TRP A 168 43.353 -13.924 40.579 1.00 21.48 C ATOM 1153 CG TRP A 168 42.095 -13.761 41.378 1.00 22.26 C ATOM 1154 CD1 TRP A 168 40.822 -14.031 40.965 1.00 23.12 C ATOM 1155 CD2 TRP A 168 41.986 -13.270 42.723 1.00 22.58 C ATOM 1156 NE1 TRP A 168 39.929 -13.742 41.970 1.00 23.69 N ATOM 1157 CE2 TRP A 168 40.619 -13.274 43.059 1.00 23.60 C ATOM 1158 CE3 TRP A 168 42.912 -12.827 43.675 1.00 22.56 C ATOM 1159 CZ2 TRP A 168 40.154 -12.854 44.306 1.00 23.44 C ATOM 1160 CZ3 TRP A 168 42.448 -12.410 44.912 1.00 22.97 C ATOM 1161 CH2 TRP A 168 41.082 -12.428 45.216 1.00 23.39 C ATOM 1162 HE1 TRP A 168 38.897 -13.859 41.913 1.00 0.00 H ATOM 1163 H TRP A 168 42.562 -12.451 38.588 1.00 0.00 H ATOM 1164 N VAL A 169 46.360 -12.623 40.741 1.00 16.46 N ATOM 1165 CA VAL A 169 47.739 -12.772 40.466 1.00 15.03 C ATOM 1166 C VAL A 169 47.984 -14.238 39.974 1.00 17.37 C ATOM 1167 O VAL A 169 47.362 -15.137 40.432 1.00 19.10 O ATOM 1168 CB VAL A 169 48.639 -12.443 41.710 1.00 14.02 C ATOM 1169 CG1 VAL A 169 48.444 -13.450 42.865 1.00 16.22 C ATOM 1170 CG2 VAL A 169 50.094 -12.305 41.336 1.00 15.08 C ATOM 1171 H VAL A 169 46.063 -12.383 41.708 1.00 0.00 H ATOM 1172 N GLU A 170 48.923 -14.331 39.087 1.00 17.06 N ATOM 1173 CA GLU A 170 49.392 -15.631 38.605 1.00 18.98 C ATOM 1174 C GLU A 170 50.262 -16.139 39.787 1.00 19.18 C ATOM 1175 O GLU A 170 51.256 -15.617 40.086 1.00 18.88 O ATOM 1176 CB GLU A 170 50.128 -15.450 37.289 1.00 22.49 C ATOM 1177 CG GLU A 170 49.170 -14.861 36.216 1.00 29.02 C ATOM 1178 CD GLU A 170 49.502 -14.985 34.723 1.00 34.87 C ATOM 1179 OE1 GLU A 170 50.442 -14.363 34.260 1.00 37.14 O ATOM 1180 OE2 GLU A 170 48.713 -15.628 34.028 1.00 36.51 O ATOM 1181 H GLU A 170 49.353 -13.463 38.709 1.00 0.00 H ATOM 1182 N PRO A 171 49.837 -17.245 40.408 1.00 20.14 N ATOM 1183 CA PRO A 171 50.525 -17.708 41.593 1.00 19.41 C ATOM 1184 C PRO A 171 51.990 -17.988 41.458 1.00 16.97 C ATOM 1185 O PRO A 171 52.686 -17.814 42.346 1.00 16.85 O ATOM 1186 CB PRO A 171 49.745 -18.953 41.996 1.00 21.20 C ATOM 1187 CG PRO A 171 48.478 -18.898 41.298 1.00 23.35 C ATOM 1188 CD PRO A 171 48.681 -18.066 40.085 1.00 22.10 C ATOM 1189 N ALA A 172 52.434 -18.447 40.269 1.00 15.93 N ATOM 1190 CA ALA A 172 53.862 -18.673 40.068 1.00 16.99 C ATOM 1191 C ALA A 172 54.685 -17.404 40.267 1.00 16.78 C ATOM 1192 O ALA A 172 55.876 -17.489 40.602 1.00 17.46 O ATOM 1193 CB ALA A 172 54.113 -19.256 38.674 1.00 19.27 C ATOM 1194 H ALA A 172 51.762 -18.639 39.499 1.00 0.00 H ATOM 1195 N THR A 173 54.088 -16.224 40.056 1.00 14.98 N ATOM 1196 CA THR A 173 54.833 -14.978 40.220 1.00 14.57 C ATOM 1197 C THR A 173 54.791 -14.447 41.641 1.00 13.67 C ATOM 1198 O THR A 173 55.533 -13.516 41.955 1.00 15.14 O ATOM 1199 CB THR A 173 54.369 -13.880 39.246 1.00 15.88 C ATOM 1200 OG1 THR A 173 53.063 -13.414 39.602 1.00 15.10 O ATOM 1201 CG2 THR A 173 54.369 -14.408 37.804 1.00 17.52 C ATOM 1202 HG1 THR A 173 52.423 -14.169 39.565 1.00 0.00 H ATOM 1203 H THR A 173 53.088 -16.194 39.774 1.00 0.00 H ATOM 1204 N ALA A 174 53.966 -15.035 42.503 1.00 13.86 N ATOM 1205 CA ALA A 174 53.858 -14.626 43.905 1.00 13.19 C ATOM 1206 C ALA A 174 54.097 -15.834 44.807 1.00 13.02 C ATOM 1207 O ALA A 174 53.233 -16.214 45.604 1.00 14.39 O ATOM 1208 CB ALA A 174 52.491 -14.001 44.185 1.00 15.33 C ATOM 1209 H ALA A 174 53.372 -15.819 42.167 1.00 0.00 H ATOM 1210 N PRO A 175 55.264 -16.473 44.701 1.00 12.63 N ATOM 1211 CA PRO A 175 55.525 -17.656 45.528 1.00 13.73 C ATOM 1212 C PRO A 175 55.656 -17.262 46.993 1.00 12.17 C ATOM 1213 O PRO A 175 56.148 -16.182 47.337 1.00 13.44 O ATOM 1214 CB PRO A 175 56.864 -18.164 44.987 1.00 14.54 C ATOM 1215 CG PRO A 175 57.547 -16.914 44.519 1.00 14.67 C ATOM 1216 CD PRO A 175 56.453 -16.080 43.921 1.00 14.90 C ATOM 1217 N ASN A 176 55.214 -18.163 47.869 1.00 12.82 N ATOM 1218 CA ASN A 176 55.411 -18.011 49.316 1.00 13.78 C ATOM 1219 C ASN A 176 54.705 -16.782 49.877 1.00 13.02 C ATOM 1220 O ASN A 176 55.146 -16.195 50.869 1.00 13.81 O ATOM 1221 CB ASN A 176 56.892 -18.025 49.696 1.00 14.95 C ATOM 1222 CG ASN A 176 57.577 -19.287 49.241 1.00 18.15 C ATOM 1223 OD1 ASN A 176 57.191 -20.380 49.650 1.00 18.08 O ATOM 1224 ND2 ASN A 176 58.581 -19.152 48.380 1.00 23.03 N ATOM 1225 HD22 ASN A 176 58.871 -18.205 48.063 1.00 0.00 H ATOM 1226 HD21 ASN A 176 59.077 -19.994 48.023 1.00 0.00 H ATOM 1227 H ASN A 176 54.712 -19.003 47.516 1.00 0.00 H ATOM 1228 N PHE A 177 53.599 -16.377 49.261 1.00 13.15 N ATOM 1229 CA PHE A 177 52.860 -15.222 49.755 1.00 12.86 C ATOM 1230 C PHE A 177 51.965 -15.545 50.946 1.00 13.44 C ATOM 1231 O PHE A 177 51.346 -14.628 51.488 1.00 13.81 O ATOM 1232 CB PHE A 177 52.052 -14.572 48.624 1.00 12.96 C ATOM 1233 CG PHE A 177 52.779 -13.449 47.924 1.00 11.82 C ATOM 1234 CD1 PHE A 177 54.098 -13.598 47.504 1.00 11.89 C ATOM 1235 CD2 PHE A 177 52.137 -12.245 47.679 1.00 14.26 C ATOM 1236 CE1 PHE A 177 54.762 -12.550 46.862 1.00 12.16 C ATOM 1237 CE2 PHE A 177 52.789 -11.201 47.038 1.00 13.29 C ATOM 1238 CZ PHE A 177 54.107 -11.352 46.629 1.00 12.72 C ATOM 1239 H PHE A 177 53.259 -16.888 48.421 1.00 0.00 H ATOM 1240 N GLY A 178 51.901 -16.802 51.391 1.00 16.22 N ATOM 1241 CA GLY A 178 51.105 -17.157 52.542 1.00 15.93 C ATOM 1242 C GLY A 178 49.665 -16.693 52.424 1.00 16.22 C ATOM 1243 O GLY A 178 48.973 -16.998 51.450 1.00 17.44 O ATOM 1244 H GLY A 178 52.437 -17.543 50.897 1.00 0.00 H ATOM 1245 N PRO A 179 49.186 -15.930 53.410 1.00 15.53 N ATOM 1246 CA PRO A 179 47.787 -15.483 53.390 1.00 16.24 C ATOM 1247 C PRO A 179 47.519 -14.286 52.489 1.00 14.69 C ATOM 1248 O PRO A 179 46.361 -13.874 52.381 1.00 16.84 O ATOM 1249 CB PRO A 179 47.535 -15.108 54.857 1.00 17.53 C ATOM 1250 CG PRO A 179 48.874 -14.613 55.314 1.00 17.74 C ATOM 1251 CD PRO A 179 49.883 -15.503 54.638 1.00 17.17 C ATOM 1252 N LEU A 180 48.534 -13.693 51.865 1.00 13.83 N ATOM 1253 CA LEU A 180 48.314 -12.526 51.014 1.00 14.03 C ATOM 1254 C LEU A 180 47.714 -12.975 49.693 1.00 14.57 C ATOM 1255 O LEU A 180 48.311 -13.793 48.980 1.00 16.25 O ATOM 1256 CB LEU A 180 49.628 -11.803 50.746 1.00 14.75 C ATOM 1257 CG LEU A 180 50.418 -11.315 51.953 1.00 15.61 C ATOM 1258 CD1 LEU A 180 51.553 -10.437 51.475 1.00 15.09 C ATOM 1259 CD2 LEU A 180 49.534 -10.556 52.930 1.00 17.49 C ATOM 1260 H LEU A 180 49.498 -14.066 51.985 1.00 0.00 H ATOM 1261 N LYS A 181 46.551 -12.423 49.360 1.00 14.63 N ATOM 1262 CA LYS A 181 45.853 -12.713 48.112 1.00 15.22 C ATOM 1263 C LYS A 181 45.853 -11.441 47.274 1.00 13.61 C ATOM 1264 O LYS A 181 45.157 -10.472 47.605 1.00 15.24 O ATOM 1265 CB LYS A 181 44.426 -13.177 48.403 1.00 18.41 C ATOM 1266 CG LYS A 181 44.337 -14.503 49.150 1.00 21.94 C ATOM 1267 CD LYS A 181 42.886 -14.868 49.479 1.00 27.31 C ATOM 1268 CE LYS A 181 42.087 -15.302 48.239 1.00 31.16 C ATOM 1269 NZ LYS A 181 40.794 -15.950 48.601 1.00 33.97 N ATOM 1270 HZ1 LYS A 181 40.981 -16.795 49.178 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 40.212 -15.280 49.143 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 40.291 -16.225 47.733 1.00 0.00 H ATOM 1273 H LYS A 181 46.117 -11.750 50.023 1.00 0.00 H ATOM 1274 N VAL A 182 46.637 -11.433 46.202 1.00 12.99 N ATOM 1275 CA VAL A 182 46.884 -10.220 45.428 1.00 12.74 C ATOM 1276 C VAL A 182 45.959 -10.182 44.216 1.00 13.28 C ATOM 1277 O VAL A 182 45.871 -11.157 43.454 1.00 14.19 O ATOM 1278 CB VAL A 182 48.360 -10.116 45.013 1.00 13.42 C ATOM 1279 CG1 VAL A 182 48.624 -8.778 44.342 1.00 13.09 C ATOM 1280 CG2 VAL A 182 49.252 -10.276 46.235 1.00 15.37 C ATOM 1281 H VAL A 182 47.090 -12.320 45.904 1.00 0.00 H ATOM 1282 N PHE A 183 45.302 -9.038 44.013 1.00 13.73 N ATOM 1283 CA PHE A 183 44.283 -8.869 42.986 1.00 14.31 C ATOM 1284 C PHE A 183 44.486 -7.548 42.253 1.00 13.94 C ATOM 1285 O PHE A 183 44.610 -6.492 42.888 1.00 12.51 O ATOM 1286 CB PHE A 183 42.891 -8.898 43.630 1.00 15.49 C ATOM 1287 CG PHE A 183 41.767 -8.727 42.651 1.00 17.69 C ATOM 1288 CD1 PHE A 183 41.428 -9.753 41.787 1.00 18.59 C ATOM 1289 CD2 PHE A 183 41.042 -7.544 42.594 1.00 18.37 C ATOM 1290 CE1 PHE A 183 40.396 -9.607 40.883 1.00 20.15 C ATOM 1291 CE2 PHE A 183 40.004 -7.392 41.691 1.00 20.36 C ATOM 1292 CZ PHE A 183 39.683 -8.426 40.837 1.00 20.70 C ATOM 1293 H PHE A 183 45.530 -8.225 44.620 1.00 0.00 H ATOM 1294 N TYR A 184 44.534 -7.611 40.919 1.00 13.35 N ATOM 1295 CA TYR A 184 44.546 -6.411 40.094 1.00 13.62 C ATOM 1296 C TYR A 184 43.112 -6.071 39.703 1.00 15.46 C ATOM 1297 O TYR A 184 42.509 -6.814 38.919 1.00 17.05 O ATOM 1298 CB TYR A 184 45.391 -6.631 38.849 1.00 14.62 C ATOM 1299 CG TYR A 184 45.312 -5.477 37.881 1.00 15.45 C ATOM 1300 CD1 TYR A 184 45.790 -4.223 38.233 1.00 15.81 C ATOM 1301 CD2 TYR A 184 44.735 -5.627 36.628 1.00 17.25 C ATOM 1302 CE1 TYR A 184 45.723 -3.157 37.364 1.00 17.24 C ATOM 1303 CE2 TYR A 184 44.662 -4.567 35.743 1.00 18.30 C ATOM 1304 CZ TYR A 184 45.155 -3.328 36.119 1.00 18.49 C ATOM 1305 OH TYR A 184 45.102 -2.257 35.256 1.00 19.08 O ATOM 1306 HH TYR A 184 45.498 -1.462 35.694 1.00 0.00 H ATOM 1307 H TYR A 184 44.564 -8.542 40.457 1.00 0.00 H ATOM 1308 N PRO A 185 42.534 -4.975 40.199 1.00 15.86 N ATOM 1309 CA PRO A 185 41.117 -4.682 39.940 1.00 17.00 C ATOM 1310 C PRO A 185 40.848 -3.938 38.644 1.00 18.75 C ATOM 1311 O PRO A 185 39.676 -3.685 38.333 1.00 19.34 O ATOM 1312 CB PRO A 185 40.760 -3.787 41.134 1.00 17.58 C ATOM 1313 CG PRO A 185 42.024 -3.005 41.370 1.00 16.82 C ATOM 1314 CD PRO A 185 43.147 -3.980 41.104 1.00 15.23 C ATOM 1315 N GLY A 186 41.885 -3.597 37.885 1.00 18.55 N ATOM 1316 CA GLY A 186 41.734 -2.716 36.753 1.00 18.95 C ATOM 1317 C GLY A 186 42.299 -1.341 37.060 1.00 19.56 C ATOM 1318 O GLY A 186 42.576 -0.998 38.217 1.00 18.53 O ATOM 1319 H GLY A 186 42.827 -3.974 38.113 1.00 0.00 H ATOM 1320 N PRO A 187 42.473 -0.518 36.026 1.00 20.77 N ATOM 1321 CA PRO A 187 43.065 0.807 36.241 1.00 21.00 C ATOM 1322 C PRO A 187 42.107 1.720 36.989 1.00 20.04 C ATOM 1323 O PRO A 187 40.895 1.708 36.759 1.00 21.24 O ATOM 1324 CB PRO A 187 43.336 1.310 34.817 1.00 22.15 C ATOM 1325 CG PRO A 187 42.419 0.534 33.950 1.00 24.16 C ATOM 1326 CD PRO A 187 42.204 -0.791 34.603 1.00 22.27 C ATOM 1327 N GLY A 188 42.667 2.511 37.900 1.00 19.75 N ATOM 1328 CA GLY A 188 41.875 3.403 38.721 1.00 19.23 C ATOM 1329 C GLY A 188 42.692 4.583 39.201 1.00 19.41 C ATOM 1330 O GLY A 188 42.930 5.525 38.441 1.00 19.30 O ATOM 1331 H GLY A 188 43.699 2.488 38.026 1.00 0.00 H ATOM 1332 N HIS A 189 43.125 4.545 40.463 1.00 17.94 N ATOM 1333 CA HIS A 189 44.033 5.572 40.957 1.00 18.16 C ATOM 1334 C HIS A 189 45.266 5.669 40.068 1.00 17.80 C ATOM 1335 O HIS A 189 45.737 6.769 39.754 1.00 17.79 O ATOM 1336 CB HIS A 189 44.430 5.255 42.397 1.00 17.17 C ATOM 1337 CG HIS A 189 45.585 6.062 42.891 1.00 16.46 C ATOM 1338 ND1 HIS A 189 45.460 7.390 43.241 1.00 16.08 N ATOM 1339 CD2 HIS A 189 46.885 5.739 43.091 1.00 15.94 C ATOM 1340 CE1 HIS A 189 46.634 7.850 43.636 1.00 15.72 C ATOM 1341 NE2 HIS A 189 47.515 6.866 43.566 1.00 16.04 N ATOM 1342 H HIS A 189 42.813 3.780 41.095 1.00 0.00 H ATOM 1343 N THR A 190 45.801 4.523 39.657 1.00 16.89 N ATOM 1344 CA THR A 190 46.796 4.447 38.600 1.00 16.22 C ATOM 1345 C THR A 190 46.475 3.232 37.746 1.00 17.54 C ATOM 1346 O THR A 190 45.647 2.390 38.105 1.00 17.24 O ATOM 1347 CB THR A 190 48.220 4.276 39.141 1.00 15.13 C ATOM 1348 OG1 THR A 190 48.268 3.085 39.929 1.00 14.89 O ATOM 1349 CG2 THR A 190 48.643 5.458 40.005 1.00 15.80 C ATOM 1350 HG1 THR A 190 49.184 2.963 40.285 1.00 0.00 H ATOM 1351 H THR A 190 45.493 3.640 40.113 1.00 0.00 H ATOM 1352 N SER A 191 47.158 3.135 36.606 1.00 17.23 N ATOM 1353 CA SER A 191 46.956 1.978 35.750 1.00 18.78 C ATOM 1354 C SER A 191 47.525 0.707 36.355 1.00 16.48 C ATOM 1355 O SER A 191 47.082 -0.384 35.982 1.00 17.94 O ATOM 1356 CB SER A 191 47.573 2.222 34.380 1.00 21.97 C ATOM 1357 OG SER A 191 46.784 3.143 33.652 1.00 24.54 O ATOM 1358 HG SER A 191 45.871 2.777 33.539 1.00 0.00 H ATOM 1359 H SER A 191 47.829 3.880 36.331 1.00 0.00 H ATOM 1360 N ASP A 192 48.492 0.819 37.268 1.00 14.06 N ATOM 1361 CA ASP A 192 49.168 -0.339 37.833 1.00 13.77 C ATOM 1362 C ASP A 192 48.692 -0.711 39.232 1.00 13.78 C ATOM 1363 O ASP A 192 49.221 -1.670 39.803 1.00 13.53 O ATOM 1364 CB ASP A 192 50.693 -0.132 37.837 1.00 13.61 C ATOM 1365 CG ASP A 192 51.130 1.071 38.672 1.00 13.16 C ATOM 1366 OD1 ASP A 192 50.451 2.116 38.620 1.00 14.72 O ATOM 1367 OD2 ASP A 192 52.157 0.979 39.383 1.00 12.71 O ATOM 1368 H ASP A 192 48.772 1.768 37.587 1.00 0.00 H ATOM 1369 N ASN A 193 47.707 -0.002 39.796 1.00 13.10 N ATOM 1370 CA ASN A 193 47.331 -0.246 41.190 1.00 12.33 C ATOM 1371 C ASN A 193 46.881 -1.687 41.438 1.00 11.97 C ATOM 1372 O ASN A 193 46.102 -2.253 40.664 1.00 13.13 O ATOM 1373 CB ASN A 193 46.315 0.788 41.728 1.00 12.66 C ATOM 1374 CG ASN A 193 45.059 0.987 40.859 1.00 15.11 C ATOM 1375 OD1 ASN A 193 44.466 2.071 40.909 1.00 16.28 O ATOM 1376 ND2 ASN A 193 44.619 -0.034 40.132 1.00 15.44 N ATOM 1377 HD22 ASN A 193 45.149 -0.929 40.118 1.00 0.00 H ATOM 1378 HD21 ASN A 193 43.745 0.062 39.577 1.00 0.00 H ATOM 1379 H ASN A 193 47.208 0.724 39.243 1.00 0.00 H ATOM 1380 N ILE A 194 47.405 -2.295 42.508 1.00 11.22 N ATOM 1381 CA ILE A 194 46.987 -3.629 42.927 1.00 10.98 C ATOM 1382 C ILE A 194 46.478 -3.579 44.371 1.00 10.18 C ATOM 1383 O ILE A 194 46.667 -2.601 45.086 1.00 12.04 O ATOM 1384 CB ILE A 194 48.083 -4.697 42.733 1.00 10.91 C ATOM 1385 CG1 ILE A 194 49.346 -4.342 43.520 1.00 10.97 C ATOM 1386 CG2 ILE A 194 48.399 -4.828 41.248 1.00 12.12 C ATOM 1387 CD1 ILE A 194 50.394 -5.471 43.542 1.00 11.69 C ATOM 1388 H ILE A 194 48.135 -1.801 43.060 1.00 0.00 H ATOM 1389 N THR A 195 45.797 -4.648 44.776 1.00 10.61 N ATOM 1390 CA THR A 195 45.127 -4.725 46.068 1.00 11.48 C ATOM 1391 C THR A 195 45.435 -6.075 46.700 1.00 11.28 C ATOM 1392 O THR A 195 45.860 -7.009 46.022 1.00 12.21 O ATOM 1393 CB THR A 195 43.604 -4.544 45.914 1.00 12.51 C ATOM 1394 OG1 THR A 195 43.056 -5.627 45.147 1.00 13.52 O ATOM 1395 CG2 THR A 195 43.285 -3.222 45.213 1.00 13.67 C ATOM 1396 HG1 THR A 195 43.475 -5.640 44.250 1.00 0.00 H ATOM 1397 H THR A 195 45.740 -5.469 44.140 1.00 0.00 H ATOM 1398 N VAL A 196 45.246 -6.177 48.016 1.00 12.07 N ATOM 1399 CA VAL A 196 45.685 -7.356 48.756 1.00 12.20 C ATOM 1400 C VAL A 196 44.663 -7.697 49.829 1.00 13.13 C ATOM 1401 O VAL A 196 44.334 -6.850 50.663 1.00 14.74 O ATOM 1402 CB VAL A 196 47.063 -7.136 49.412 1.00 12.26 C ATOM 1403 CG1 VAL A 196 47.539 -8.416 50.066 1.00 14.05 C ATOM 1404 CG2 VAL A 196 48.101 -6.626 48.403 1.00 13.21 C ATOM 1405 H VAL A 196 44.777 -5.401 48.525 1.00 0.00 H ATOM 1406 N GLY A 197 44.180 -8.932 49.828 1.00 14.31 N ATOM 1407 CA GLY A 197 43.371 -9.442 50.920 1.00 15.44 C ATOM 1408 C GLY A 197 44.226 -10.328 51.810 1.00 14.45 C ATOM 1409 O GLY A 197 45.222 -10.893 51.367 1.00 15.29 O ATOM 1410 H GLY A 197 44.387 -9.554 49.021 1.00 0.00 H ATOM 1411 N ILE A 198 43.846 -10.432 53.079 1.00 14.65 N ATOM 1412 CA ILE A 198 44.579 -11.254 54.037 1.00 16.09 C ATOM 1413 C ILE A 198 43.691 -12.432 54.422 1.00 16.84 C ATOM 1414 O ILE A 198 42.761 -12.295 55.229 1.00 17.34 O ATOM 1415 CB ILE A 198 45.042 -10.459 55.261 1.00 16.68 C ATOM 1416 CG1 ILE A 198 45.849 -9.235 54.823 1.00 16.65 C ATOM 1417 CG2 ILE A 198 45.864 -11.357 56.182 1.00 18.08 C ATOM 1418 CD1 ILE A 198 46.208 -8.303 55.954 1.00 17.98 C ATOM 1419 H ILE A 198 43.003 -9.913 53.399 1.00 0.00 H ATOM 1420 N ASP A 199 43.987 -13.598 53.851 1.00 18.78 N ATOM 1421 CA ASP A 199 43.219 -14.804 54.136 1.00 22.57 C ATOM 1422 C ASP A 199 43.269 -15.112 55.628 1.00 25.11 C ATOM 1423 O ASP A 199 44.287 -14.890 56.291 1.00 25.64 O ATOM 1424 CB ASP A 199 43.801 -15.973 53.335 1.00 26.80 C ATOM 1425 CG ASP A 199 42.752 -16.995 52.921 1.00 33.24 C ATOM 1426 OD1 ASP A 199 41.545 -16.667 52.911 1.00 35.93 O ATOM 1427 OD2 ASP A 199 43.145 -18.135 52.591 1.00 35.42 O ATOM 1428 H ASP A 199 44.785 -13.650 53.186 1.00 0.00 H ATOM 1429 N GLY A 200 42.154 -15.605 56.160 1.00 27.15 N ATOM 1430 CA GLY A 200 42.041 -15.845 57.584 1.00 28.81 C ATOM 1431 C GLY A 200 41.668 -14.635 58.411 1.00 29.14 C ATOM 1432 O GLY A 200 41.567 -14.753 59.640 1.00 32.60 O ATOM 1433 H GLY A 200 41.347 -15.823 55.541 1.00 0.00 H ATOM 1434 N THR A 201 41.473 -13.477 57.786 1.00 26.32 N ATOM 1435 CA THR A 201 41.039 -12.265 58.462 1.00 24.15 C ATOM 1436 C THR A 201 39.880 -11.664 57.682 1.00 24.68 C ATOM 1437 O THR A 201 39.529 -12.123 56.594 1.00 25.24 O ATOM 1438 CB THR A 201 42.157 -11.219 58.526 1.00 22.76 C ATOM 1439 OG1 THR A 201 42.265 -10.569 57.255 1.00 21.07 O ATOM 1440 CG2 THR A 201 43.493 -11.854 58.894 1.00 24.10 C ATOM 1441 HG1 THR A 201 42.476 -11.241 56.559 1.00 0.00 H ATOM 1442 H THR A 201 41.640 -13.436 56.760 1.00 0.00 H ATOM 1443 N ASP A 202 39.300 -10.604 58.243 1.00 24.40 N ATOM 1444 CA ASP A 202 38.265 -9.836 57.567 1.00 23.60 C ATOM 1445 C ASP A 202 38.821 -8.594 56.875 1.00 21.04 C ATOM 1446 O ASP A 202 38.066 -7.649 56.613 1.00 21.83 O ATOM 1447 CB ASP A 202 37.128 -9.479 58.534 1.00 26.59 C ATOM 1448 CG ASP A 202 37.587 -8.627 59.722 1.00 29.25 C ATOM 1449 OD1 ASP A 202 38.760 -8.207 59.764 1.00 30.41 O ATOM 1450 OD2 ASP A 202 36.754 -8.365 60.624 1.00 31.78 O ATOM 1451 H ASP A 202 39.597 -10.315 59.197 1.00 0.00 H ATOM 1452 N ILE A 203 40.117 -8.591 56.555 1.00 19.11 N ATOM 1453 CA ILE A 203 40.827 -7.396 56.116 1.00 16.87 C ATOM 1454 C ILE A 203 41.114 -7.493 54.624 1.00 16.85 C ATOM 1455 O ILE A 203 41.608 -8.523 54.139 1.00 17.47 O ATOM 1456 CB ILE A 203 42.133 -7.197 56.905 1.00 16.75 C ATOM 1457 CG1 ILE A 203 41.829 -6.996 58.391 1.00 19.26 C ATOM 1458 CG2 ILE A 203 42.931 -6.024 56.343 1.00 17.74 C ATOM 1459 CD1 ILE A 203 43.066 -6.979 59.263 1.00 20.42 C ATOM 1460 H ILE A 203 40.646 -9.484 56.622 1.00 0.00 H ATOM 1461 N ALA A 204 40.824 -6.411 53.900 1.00 16.68 N ATOM 1462 CA ALA A 204 41.287 -6.227 52.531 1.00 16.43 C ATOM 1463 C ALA A 204 41.877 -4.830 52.397 1.00 15.30 C ATOM 1464 O ALA A 204 41.377 -3.875 53.002 1.00 16.60 O ATOM 1465 CB ALA A 204 40.162 -6.411 51.511 1.00 18.44 C ATOM 1466 H ALA A 204 40.241 -5.666 54.332 1.00 0.00 H ATOM 1467 N PHE A 205 42.941 -4.715 51.605 1.00 14.80 N ATOM 1468 CA PHE A 205 43.704 -3.483 51.461 1.00 13.48 C ATOM 1469 C PHE A 205 43.537 -2.940 50.046 1.00 13.10 C ATOM 1470 O PHE A 205 43.927 -3.595 49.071 1.00 12.63 O ATOM 1471 CB PHE A 205 45.177 -3.751 51.753 1.00 13.46 C ATOM 1472 CG PHE A 205 46.055 -2.533 51.642 1.00 12.74 C ATOM 1473 CD1 PHE A 205 46.009 -1.546 52.610 1.00 13.51 C ATOM 1474 CD2 PHE A 205 46.946 -2.384 50.584 1.00 13.23 C ATOM 1475 CE1 PHE A 205 46.819 -0.435 52.532 1.00 14.25 C ATOM 1476 CE2 PHE A 205 47.765 -1.261 50.501 1.00 12.08 C ATOM 1477 CZ PHE A 205 47.700 -0.292 51.485 1.00 12.71 C ATOM 1478 H PHE A 205 43.243 -5.548 51.061 1.00 0.00 H ATOM 1479 N GLY A 206 42.960 -1.747 49.935 1.00 13.87 N ATOM 1480 CA GLY A 206 42.752 -1.142 48.640 1.00 14.65 C ATOM 1481 C GLY A 206 43.814 -0.150 48.201 1.00 14.07 C ATOM 1482 O GLY A 206 43.756 0.343 47.071 1.00 15.83 O ATOM 1483 H GLY A 206 42.655 -1.243 50.792 1.00 0.00 H ATOM 1484 N GLY A 207 44.781 0.157 49.066 1.00 14.36 N ATOM 1485 CA GLY A 207 45.817 1.108 48.681 1.00 14.46 C ATOM 1486 C GLY A 207 45.221 2.461 48.346 1.00 15.26 C ATOM 1487 O GLY A 207 44.277 2.929 48.994 1.00 16.81 O ATOM 1488 H GLY A 207 44.796 -0.279 50.010 1.00 0.00 H ATOM 1489 N CYS A 208 45.769 3.110 47.320 1.00 15.30 N ATOM 1490 CA CYS A 208 45.240 4.416 46.943 1.00 17.00 C ATOM 1491 C CYS A 208 43.997 4.338 46.072 1.00 17.13 C ATOM 1492 O CYS A 208 43.441 5.384 45.722 1.00 19.09 O ATOM 1493 CB CYS A 208 46.295 5.305 46.291 1.00 17.90 C ATOM 1494 SG CYS A 208 47.734 5.658 47.307 1.00 16.56 S ATOM 1495 H CYS A 208 46.563 2.691 46.795 1.00 0.00 H ATOM 1496 N LEU A 209 43.530 3.138 45.735 1.00 15.97 N ATOM 1497 CA LEU A 209 42.319 3.036 44.931 1.00 17.00 C ATOM 1498 C LEU A 209 41.091 3.455 45.728 1.00 18.45 C ATOM 1499 O LEU A 209 40.180 4.090 45.187 1.00 19.93 O ATOM 1500 CB LEU A 209 42.164 1.602 44.423 1.00 16.73 C ATOM 1501 CG LEU A 209 40.873 1.283 43.660 1.00 17.57 C ATOM 1502 CD1 LEU A 209 40.881 1.988 42.319 1.00 18.70 C ATOM 1503 CD2 LEU A 209 40.728 -0.222 43.480 1.00 17.83 C ATOM 1504 H LEU A 209 44.027 2.278 46.044 1.00 0.00 H ATOM 1505 N ILE A 210 41.050 3.120 47.014 1.00 19.09 N ATOM 1506 CA ILE A 210 39.854 3.265 47.836 1.00 21.28 C ATOM 1507 C ILE A 210 40.038 4.432 48.794 1.00 22.89 C ATOM 1508 O ILE A 210 41.087 4.557 49.441 1.00 22.50 O ATOM 1509 CB ILE A 210 39.552 1.969 48.608 1.00 21.94 C ATOM 1510 CG1 ILE A 210 39.368 0.797 47.638 1.00 20.67 C ATOM 1511 CG2 ILE A 210 38.330 2.135 49.498 1.00 22.73 C ATOM 1512 CD1 ILE A 210 38.229 0.975 46.655 1.00 20.98 C ATOM 1513 H ILE A 210 41.911 2.737 47.454 1.00 0.00 H ATOM 1514 N LYS A 211 39.012 5.278 48.888 1.00 23.71 N ATOM 1515 CA LYS A 211 38.937 6.354 49.863 1.00 24.89 C ATOM 1516 C LYS A 211 37.860 6.031 50.892 1.00 25.92 C ATOM 1517 O LYS A 211 36.969 5.211 50.652 1.00 26.25 O ATOM 1518 CB LYS A 211 38.593 7.681 49.180 1.00 25.65 C ATOM 1519 CG LYS A 211 39.312 7.901 47.872 1.00 26.58 C ATOM 1520 CD LYS A 211 40.811 7.848 48.066 1.00 26.81 C ATOM 1521 CE LYS A 211 41.541 7.933 46.745 1.00 27.60 C ATOM 1522 NZ LYS A 211 43.020 7.919 46.940 1.00 27.48 N ATOM 1523 HZ1 LYS A 211 43.299 8.732 47.525 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 43.297 7.037 47.415 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 43.491 7.979 46.015 1.00 0.00 H ATOM 1526 H LYS A 211 38.219 5.162 48.225 1.00 0.00 H ATOM 1527 N ASP A 212 37.939 6.695 52.045 1.00 28.30 N ATOM 1528 CA ASP A 212 37.006 6.390 53.119 1.00 30.77 C ATOM 1529 C ASP A 212 35.590 6.858 52.760 1.00 32.50 C ATOM 1530 O ASP A 212 35.371 7.623 51.816 1.00 31.35 O ATOM 1531 CB ASP A 212 37.487 6.978 54.448 1.00 33.12 C ATOM 1532 CG ASP A 212 37.389 8.497 54.495 1.00 36.47 C ATOM 1533 OD1 ASP A 212 36.288 9.022 54.758 1.00 37.61 O ATOM 1534 OD2 ASP A 212 38.422 9.168 54.290 1.00 39.88 O ATOM 1535 H ASP A 212 38.665 7.428 52.176 1.00 0.00 H ATOM 1536 N SER A 213 34.617 6.378 53.537 1.00 34.52 N ATOM 1537 CA SER A 213 33.208 6.622 53.238 1.00 37.59 C ATOM 1538 C SER A 213 32.796 8.082 53.403 1.00 38.67 C ATOM 1539 O SER A 213 31.706 8.452 52.948 1.00 40.17 O ATOM 1540 CB SER A 213 32.319 5.725 54.103 1.00 38.74 C ATOM 1541 OG SER A 213 32.518 5.981 55.484 1.00 40.50 O ATOM 1542 HG SER A 213 33.464 5.807 55.718 1.00 0.00 H ATOM 1543 H SER A 213 34.868 5.817 54.376 1.00 0.00 H ATOM 1544 N LYS A 214 33.620 8.911 54.040 1.00 39.23 N ATOM 1545 CA LYS A 214 33.339 10.332 54.198 1.00 41.47 C ATOM 1546 C LYS A 214 34.274 11.204 53.371 1.00 38.98 C ATOM 1547 O LYS A 214 34.282 12.427 53.539 1.00 38.82 O ATOM 1548 CB LYS A 214 33.405 10.731 55.676 1.00 45.06 C ATOM 1549 CG LYS A 214 32.422 9.996 56.571 1.00 48.37 C ATOM 1550 CD LYS A 214 30.998 10.150 56.066 1.00 51.25 C ATOM 1551 CE LYS A 214 30.006 9.451 56.983 1.00 53.43 C ATOM 1552 NZ LYS A 214 28.596 9.817 56.656 1.00 54.52 N ATOM 1553 HZ1 LYS A 214 28.472 10.844 56.762 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 28.386 9.541 55.676 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 27.951 9.320 57.303 1.00 0.00 H ATOM 1556 H LYS A 214 34.500 8.529 54.441 1.00 0.00 H ATOM 1557 N ALA A 215 35.069 10.606 52.488 1.00 37.34 N ATOM 1558 CA ALA A 215 36.018 11.373 51.700 1.00 37.61 C ATOM 1559 C ALA A 215 35.290 12.290 50.726 1.00 37.91 C ATOM 1560 O ALA A 215 34.231 11.950 50.189 1.00 38.71 O ATOM 1561 CB ALA A 215 36.942 10.433 50.926 1.00 37.04 C ATOM 1562 H ALA A 215 35.010 9.576 52.360 1.00 0.00 H ATOM 1563 N LYS A 216 35.876 13.465 50.496 1.00 38.15 N ATOM 1564 CA LYS A 216 35.271 14.454 49.615 1.00 39.55 C ATOM 1565 C LYS A 216 35.794 14.385 48.189 1.00 38.19 C ATOM 1566 O LYS A 216 35.165 14.941 47.286 1.00 38.90 O ATOM 1567 CB LYS A 216 35.482 15.868 50.169 1.00 42.23 C ATOM 1568 CG LYS A 216 34.633 16.183 51.391 1.00 44.52 C ATOM 1569 CD LYS A 216 34.995 17.536 51.998 1.00 46.55 C ATOM 1570 CE LYS A 216 34.516 18.686 51.127 1.00 48.76 C ATOM 1571 NZ LYS A 216 34.444 19.970 51.883 1.00 50.14 N ATOM 1572 HZ1 LYS A 216 33.781 19.866 52.677 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 35.388 20.210 52.247 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 34.113 20.726 51.250 1.00 0.00 H ATOM 1575 H LYS A 216 36.784 13.680 50.955 1.00 0.00 H ATOM 1576 N SER A 217 36.917 13.715 47.954 1.00 36.60 N ATOM 1577 CA SER A 217 37.458 13.632 46.608 1.00 35.63 C ATOM 1578 C SER A 217 38.198 12.313 46.459 1.00 34.28 C ATOM 1579 O SER A 217 38.392 11.570 47.424 1.00 34.39 O ATOM 1580 CB SER A 217 38.385 14.812 46.296 1.00 36.23 C ATOM 1581 OG SER A 217 39.702 14.577 46.769 1.00 36.92 O ATOM 1582 HG SER A 217 40.273 15.356 46.552 1.00 0.00 H ATOM 1583 H SER A 217 37.412 13.246 48.739 1.00 0.00 H ATOM 1584 N LEU A 218 38.608 12.029 45.227 1.00 32.97 N ATOM 1585 CA LEU A 218 39.436 10.868 44.933 1.00 31.57 C ATOM 1586 C LEU A 218 40.925 11.172 45.024 1.00 30.77 C ATOM 1587 O LEU A 218 41.743 10.353 44.597 1.00 31.08 O ATOM 1588 CB LEU A 218 39.076 10.289 43.565 1.00 32.11 C ATOM 1589 CG LEU A 218 37.673 9.675 43.499 1.00 31.78 C ATOM 1590 CD1 LEU A 218 37.257 9.437 42.061 1.00 31.27 C ATOM 1591 CD2 LEU A 218 37.627 8.375 44.289 1.00 31.31 C ATOM 1592 H LEU A 218 38.328 12.657 44.447 1.00 0.00 H ATOM 1593 N GLY A 219 41.295 12.326 45.569 1.00 30.33 N ATOM 1594 CA GLY A 219 42.692 12.628 45.804 1.00 29.81 C ATOM 1595 C GLY A 219 43.480 12.940 44.550 1.00 28.65 C ATOM 1596 O GLY A 219 43.011 13.679 43.683 1.00 28.81 O ATOM 1597 H GLY A 219 40.570 13.024 45.831 1.00 0.00 H ATOM 1598 N ASN A 220 44.685 12.384 44.446 1.00 26.91 N ATOM 1599 CA ASN A 220 45.565 12.659 43.316 1.00 25.77 C ATOM 1600 C ASN A 220 45.128 11.824 42.122 1.00 25.34 C ATOM 1601 O ASN A 220 45.290 10.597 42.117 1.00 24.58 O ATOM 1602 CB ASN A 220 47.011 12.338 43.674 1.00 25.26 C ATOM 1603 CG ASN A 220 47.928 12.418 42.474 1.00 24.42 C ATOM 1604 OD1 ASN A 220 47.736 13.268 41.601 1.00 25.93 O ATOM 1605 ND2 ASN A 220 48.926 11.534 42.417 1.00 23.42 N ATOM 1606 HD22 ASN A 220 49.047 10.836 43.179 1.00 0.00 H ATOM 1607 HD21 ASN A 220 49.583 11.543 41.611 1.00 0.00 H ATOM 1608 H ASN A 220 45.008 11.735 45.192 1.00 0.00 H ATOM 1609 N LEU A 221 44.594 12.490 41.104 1.00 25.98 N ATOM 1610 CA LEU A 221 44.169 11.854 39.866 1.00 26.50 C ATOM 1611 C LEU A 221 45.172 12.050 38.737 1.00 25.99 C ATOM 1612 O LEU A 221 44.853 11.754 37.581 1.00 26.20 O ATOM 1613 CB LEU A 221 42.791 12.382 39.453 1.00 28.60 C ATOM 1614 CG LEU A 221 41.627 12.040 40.385 1.00 29.68 C ATOM 1615 CD1 LEU A 221 40.339 12.669 39.891 1.00 30.84 C ATOM 1616 CD2 LEU A 221 41.457 10.533 40.515 1.00 29.98 C ATOM 1617 H LEU A 221 44.474 13.519 41.197 1.00 0.00 H ATOM 1618 N GLY A 222 46.380 12.528 39.049 1.00 25.26 N ATOM 1619 CA GLY A 222 47.341 12.842 38.002 1.00 25.24 C ATOM 1620 C GLY A 222 47.658 11.669 37.094 1.00 24.32 C ATOM 1621 O GLY A 222 47.869 11.843 35.892 1.00 25.31 O ATOM 1622 H GLY A 222 46.635 12.677 40.046 1.00 0.00 H ATOM 1623 N ASP A 223 47.696 10.459 37.650 1.00 22.47 N ATOM 1624 CA ASP A 223 47.980 9.256 36.877 1.00 21.53 C ATOM 1625 C ASP A 223 46.776 8.323 36.796 1.00 20.75 C ATOM 1626 O ASP A 223 46.927 7.133 36.487 1.00 19.79 O ATOM 1627 CB ASP A 223 49.207 8.530 37.436 1.00 22.09 C ATOM 1628 CG ASP A 223 50.490 9.310 37.221 1.00 23.29 C ATOM 1629 OD1 ASP A 223 50.743 9.743 36.077 1.00 26.33 O ATOM 1630 OD2 ASP A 223 51.249 9.497 38.190 1.00 22.38 O ATOM 1631 H ASP A 223 47.517 10.369 38.671 1.00 0.00 H ATOM 1632 N ALA A 224 45.583 8.842 37.053 1.00 21.10 N ATOM 1633 CA ALA A 224 44.403 8.004 37.163 1.00 21.98 C ATOM 1634 C ALA A 224 43.806 7.687 35.795 1.00 23.95 C ATOM 1635 O ALA A 224 43.997 8.409 34.811 1.00 24.28 O ATOM 1636 CB ALA A 224 43.343 8.690 38.027 1.00 22.98 C ATOM 1637 H ALA A 224 45.491 9.870 37.178 1.00 0.00 H ATOM 1638 N ASP A 225 43.064 6.587 35.755 1.00 24.83 N ATOM 1639 CA ASP A 225 42.229 6.219 34.615 1.00 26.98 C ATOM 1640 C ASP A 225 40.801 6.590 35.007 1.00 28.87 C ATOM 1641 O ASP A 225 40.106 5.819 35.674 1.00 28.62 O ATOM 1642 CB ASP A 225 42.374 4.728 34.322 1.00 26.82 C ATOM 1643 CG ASP A 225 41.641 4.301 33.060 1.00 27.27 C ATOM 1644 OD1 ASP A 225 40.540 4.826 32.787 1.00 28.24 O ATOM 1645 OD2 ASP A 225 42.166 3.435 32.332 1.00 28.11 O ATOM 1646 H ASP A 225 43.078 5.953 36.580 1.00 0.00 H ATOM 1647 N THR A 226 40.370 7.787 34.605 1.00 31.43 N ATOM 1648 CA THR A 226 39.074 8.284 35.056 1.00 33.99 C ATOM 1649 C THR A 226 37.916 7.482 34.475 1.00 34.35 C ATOM 1650 O THR A 226 36.867 7.359 35.117 1.00 35.88 O ATOM 1651 CB THR A 226 38.932 9.770 34.721 1.00 36.24 C ATOM 1652 OG1 THR A 226 39.006 9.953 33.300 1.00 37.35 O ATOM 1653 CG2 THR A 226 40.037 10.576 35.398 1.00 36.45 C ATOM 1654 HG1 THR A 226 38.276 9.446 32.865 1.00 0.00 H ATOM 1655 H THR A 226 40.957 8.365 33.971 1.00 0.00 H ATOM 1656 N GLU A 227 38.086 6.923 33.276 1.00 32.97 N ATOM 1657 CA GLU A 227 37.009 6.149 32.669 1.00 34.83 C ATOM 1658 C GLU A 227 36.731 4.869 33.446 1.00 32.46 C ATOM 1659 O GLU A 227 35.569 4.510 33.666 1.00 32.42 O ATOM 1660 CB GLU A 227 37.359 5.819 31.221 1.00 38.02 C ATOM 1661 CG GLU A 227 36.282 5.028 30.501 1.00 42.27 C ATOM 1662 CD GLU A 227 36.734 4.531 29.146 1.00 45.54 C ATOM 1663 OE1 GLU A 227 37.894 4.809 28.770 1.00 46.55 O ATOM 1664 OE2 GLU A 227 35.931 3.859 28.462 1.00 46.23 O ATOM 1665 H GLU A 227 38.989 7.039 32.773 1.00 0.00 H ATOM 1666 N HIS A 228 37.782 4.171 33.878 1.00 30.51 N ATOM 1667 CA HIS A 228 37.649 2.834 34.437 1.00 30.24 C ATOM 1668 C HIS A 228 37.666 2.804 35.959 1.00 28.43 C ATOM 1669 O HIS A 228 37.479 1.729 36.541 1.00 27.63 O ATOM 1670 CB HIS A 228 38.760 1.927 33.895 1.00 31.89 C ATOM 1671 CG HIS A 228 38.718 1.746 32.408 1.00 33.43 C ATOM 1672 ND1 HIS A 228 39.540 2.444 31.549 1.00 34.14 N ATOM 1673 CD2 HIS A 228 37.946 0.953 31.628 1.00 34.47 C ATOM 1674 CE1 HIS A 228 39.280 2.086 30.305 1.00 34.50 C ATOM 1675 NE2 HIS A 228 38.316 1.183 30.325 1.00 34.80 N ATOM 1676 H HIS A 228 38.729 4.597 33.813 1.00 0.00 H ATOM 1677 N TYR A 229 37.875 3.952 36.611 1.00 27.85 N ATOM 1678 CA TYR A 229 38.056 3.976 38.062 1.00 27.24 C ATOM 1679 C TYR A 229 36.879 3.327 38.785 1.00 26.90 C ATOM 1680 O TYR A 229 37.069 2.469 39.657 1.00 26.98 O ATOM 1681 CB TYR A 229 38.267 5.421 38.520 1.00 27.00 C ATOM 1682 CG TYR A 229 38.931 5.614 39.875 1.00 25.59 C ATOM 1683 CD1 TYR A 229 38.507 4.916 41.000 1.00 25.55 C ATOM 1684 CD2 TYR A 229 39.974 6.520 40.028 1.00 25.71 C ATOM 1685 CE1 TYR A 229 39.107 5.106 42.238 1.00 24.14 C ATOM 1686 CE2 TYR A 229 40.576 6.721 41.260 1.00 24.38 C ATOM 1687 CZ TYR A 229 40.140 6.009 42.362 1.00 23.47 C ATOM 1688 OH TYR A 229 40.740 6.189 43.597 1.00 22.92 O ATOM 1689 HH TYR A 229 40.303 5.602 44.264 1.00 0.00 H ATOM 1690 H TYR A 229 37.910 4.844 36.077 1.00 0.00 H ATOM 1691 N ALA A 230 35.651 3.718 38.435 1.00 28.34 N ATOM 1692 CA ALA A 230 34.487 3.215 39.160 1.00 28.43 C ATOM 1693 C ALA A 230 34.395 1.694 39.082 1.00 28.74 C ATOM 1694 O ALA A 230 34.164 1.021 40.095 1.00 28.87 O ATOM 1695 CB ALA A 230 33.210 3.870 38.630 1.00 28.69 C ATOM 1696 H ALA A 230 35.523 4.382 37.645 1.00 0.00 H ATOM 1697 N ALA A 231 34.595 1.131 37.888 1.00 28.37 N ATOM 1698 CA ALA A 231 34.514 -0.319 37.740 1.00 27.08 C ATOM 1699 C ALA A 231 35.627 -1.011 38.515 1.00 25.51 C ATOM 1700 O ALA A 231 35.414 -2.080 39.100 1.00 26.30 O ATOM 1701 CB ALA A 231 34.561 -0.701 36.261 1.00 27.87 C ATOM 1702 H ALA A 231 34.809 1.726 37.062 1.00 0.00 H ATOM 1703 N SER A 232 36.821 -0.415 38.530 1.00 23.78 N ATOM 1704 CA SER A 232 37.935 -1.009 39.256 1.00 22.50 C ATOM 1705 C SER A 232 37.668 -1.037 40.755 1.00 22.81 C ATOM 1706 O SER A 232 37.974 -2.032 41.421 1.00 21.81 O ATOM 1707 CB SER A 232 39.230 -0.274 38.915 1.00 21.95 C ATOM 1708 OG SER A 232 39.450 -0.345 37.509 1.00 21.59 O ATOM 1709 HG SER A 232 40.289 0.130 37.283 1.00 0.00 H ATOM 1710 H SER A 232 36.957 0.481 38.019 1.00 0.00 H ATOM 1711 N ALA A 233 37.074 0.032 41.300 1.00 22.84 N ATOM 1712 CA ALA A 233 36.738 0.034 42.721 1.00 24.86 C ATOM 1713 C ALA A 233 35.725 -1.057 43.045 1.00 25.60 C ATOM 1714 O ALA A 233 35.871 -1.774 44.041 1.00 25.78 O ATOM 1715 CB ALA A 233 36.222 1.407 43.148 1.00 25.24 C ATOM 1716 H ALA A 233 36.852 0.860 40.712 1.00 0.00 H ATOM 1717 N ARG A 234 34.694 -1.206 42.209 1.00 26.90 N ATOM 1718 CA ARG A 234 33.706 -2.254 42.446 1.00 27.75 C ATOM 1719 C ARG A 234 34.309 -3.645 42.286 1.00 27.12 C ATOM 1720 O ARG A 234 33.946 -4.564 43.029 1.00 28.46 O ATOM 1721 CB ARG A 234 32.493 -2.053 41.535 1.00 29.15 C ATOM 1722 CG ARG A 234 31.798 -0.716 41.770 1.00 30.56 C ATOM 1723 CD ARG A 234 30.413 -0.630 41.137 1.00 32.00 C ATOM 1724 NE ARG A 234 29.690 0.514 41.689 1.00 34.04 N ATOM 1725 CZ ARG A 234 29.573 1.692 41.083 1.00 34.75 C ATOM 1726 NH1 ARG A 234 30.105 1.887 39.885 1.00 35.76 N ATOM 1727 NH2 ARG A 234 28.922 2.678 41.679 1.00 35.81 N ATOM 1728 HE ARG A 234 29.237 0.399 42.618 1.00 0.00 H ATOM 1729 HH12 ARG A 234 30.009 2.811 39.418 1.00 0.00 H ATOM 1730 HH11 ARG A 234 30.618 1.116 39.412 1.00 0.00 H ATOM 1731 HH22 ARG A 234 28.829 3.600 41.207 1.00 0.00 H ATOM 1732 HH21 ARG A 234 28.503 2.531 42.619 1.00 0.00 H ATOM 1733 H ARG A 234 34.595 -0.575 41.388 1.00 0.00 H ATOM 1734 N ALA A 235 35.249 -3.812 41.353 1.00 25.25 N ATOM 1735 CA ALA A 235 35.885 -5.114 41.177 1.00 24.97 C ATOM 1736 C ALA A 235 36.690 -5.506 42.409 1.00 24.11 C ATOM 1737 O ALA A 235 36.740 -6.686 42.776 1.00 24.24 O ATOM 1738 CB ALA A 235 36.764 -5.113 39.925 1.00 25.22 C ATOM 1739 H ALA A 235 35.529 -3.012 40.750 1.00 0.00 H ATOM 1740 N PHE A 236 37.325 -4.528 43.063 1.00 22.37 N ATOM 1741 CA PHE A 236 38.027 -4.801 44.314 1.00 21.04 C ATOM 1742 C PHE A 236 37.069 -5.351 45.364 1.00 22.50 C ATOM 1743 O PHE A 236 37.356 -6.362 46.016 1.00 23.18 O ATOM 1744 CB PHE A 236 38.717 -3.527 44.814 1.00 18.99 C ATOM 1745 CG PHE A 236 39.112 -3.571 46.269 1.00 18.45 C ATOM 1746 CD1 PHE A 236 40.195 -4.322 46.679 1.00 17.64 C ATOM 1747 CD2 PHE A 236 38.405 -2.848 47.220 1.00 19.30 C ATOM 1748 CE1 PHE A 236 40.577 -4.354 48.018 1.00 17.75 C ATOM 1749 CE2 PHE A 236 38.770 -2.874 48.558 1.00 19.98 C ATOM 1750 CZ PHE A 236 39.861 -3.631 48.960 1.00 18.88 C ATOM 1751 H PHE A 236 37.319 -3.562 42.677 1.00 0.00 H ATOM 1752 N GLY A 237 35.912 -4.702 45.530 1.00 23.53 N ATOM 1753 CA GLY A 237 34.937 -5.184 46.495 1.00 24.13 C ATOM 1754 C GLY A 237 34.447 -6.584 46.183 1.00 25.49 C ATOM 1755 O GLY A 237 34.267 -7.405 47.085 1.00 27.06 O ATOM 1756 H GLY A 237 35.709 -3.851 44.968 1.00 0.00 H ATOM 1757 N ALA A 238 34.240 -6.878 44.897 1.00 25.09 N ATOM 1758 CA ALA A 238 33.739 -8.189 44.502 1.00 26.16 C ATOM 1759 C ALA A 238 34.797 -9.270 44.674 1.00 26.30 C ATOM 1760 O ALA A 238 34.454 -10.443 44.871 1.00 27.32 O ATOM 1761 CB ALA A 238 33.269 -8.146 43.051 1.00 26.88 C ATOM 1762 H ALA A 238 34.439 -6.163 44.168 1.00 0.00 H ATOM 1763 N ALA A 239 36.079 -8.901 44.590 1.00 25.17 N ATOM 1764 CA ALA A 239 37.143 -9.885 44.754 1.00 24.50 C ATOM 1765 C ALA A 239 37.298 -10.306 46.208 1.00 24.62 C ATOM 1766 O ALA A 239 37.785 -11.407 46.486 1.00 24.90 O ATOM 1767 CB ALA A 239 38.468 -9.320 44.237 1.00 24.89 C ATOM 1768 H ALA A 239 36.319 -7.906 44.407 1.00 0.00 H ATOM 1769 N PHE A 240 36.908 -9.444 47.143 1.00 23.88 N ATOM 1770 CA PHE A 240 37.046 -9.700 48.577 1.00 24.09 C ATOM 1771 C PHE A 240 35.692 -9.487 49.244 1.00 26.52 C ATOM 1772 O PHE A 240 35.521 -8.578 50.067 1.00 26.01 O ATOM 1773 CB PHE A 240 38.126 -8.802 49.181 1.00 22.29 C ATOM 1774 CG PHE A 240 39.462 -8.931 48.504 1.00 20.37 C ATOM 1775 CD1 PHE A 240 40.238 -10.062 48.695 1.00 20.48 C ATOM 1776 CD2 PHE A 240 39.950 -7.917 47.688 1.00 19.05 C ATOM 1777 CE1 PHE A 240 41.476 -10.188 48.081 1.00 19.59 C ATOM 1778 CE2 PHE A 240 41.190 -8.037 47.068 1.00 19.00 C ATOM 1779 CZ PHE A 240 41.958 -9.172 47.271 1.00 19.77 C ATOM 1780 H PHE A 240 36.484 -8.544 46.840 1.00 0.00 H ATOM 1781 N PRO A 241 34.707 -10.333 48.924 1.00 28.81 N ATOM 1782 CA PRO A 241 33.333 -10.051 49.369 1.00 31.18 C ATOM 1783 C PRO A 241 33.120 -10.186 50.868 1.00 35.33 C ATOM 1784 O PRO A 241 32.217 -9.535 51.409 1.00 37.66 O ATOM 1785 CB PRO A 241 32.491 -11.063 48.576 1.00 31.77 C ATOM 1786 CG PRO A 241 33.430 -12.191 48.299 1.00 30.46 C ATOM 1787 CD PRO A 241 34.791 -11.565 48.119 1.00 29.68 C ATOM 1788 N LYS A 242 33.905 -11.008 51.557 1.00 37.15 N ATOM 1789 CA LYS A 242 33.744 -11.180 52.995 1.00 39.70 C ATOM 1790 C LYS A 242 34.585 -10.210 53.817 1.00 37.23 C ATOM 1791 O LYS A 242 34.487 -10.221 55.049 1.00 38.49 O ATOM 1792 CB LYS A 242 34.049 -12.625 53.405 1.00 43.67 C ATOM 1793 CG LYS A 242 33.234 -13.666 52.652 1.00 46.75 C ATOM 1794 CD LYS A 242 32.964 -14.899 53.504 1.00 49.17 C ATOM 1795 CE LYS A 242 34.233 -15.415 54.171 1.00 50.47 C ATOM 1796 NZ LYS A 242 33.918 -16.264 55.360 1.00 50.90 N ATOM 1797 HZ1 LYS A 242 33.385 -15.702 56.054 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 33.347 -17.080 55.060 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 34.804 -16.599 55.790 1.00 0.00 H ATOM 1800 H LYS A 242 34.649 -11.539 51.060 1.00 0.00 H ATOM 1801 N ALA A 243 35.396 -9.369 53.177 1.00 32.58 N ATOM 1802 CA ALA A 243 36.223 -8.421 53.911 1.00 29.66 C ATOM 1803 C ALA A 243 35.348 -7.328 54.513 1.00 29.14 C ATOM 1804 O ALA A 243 34.709 -6.560 53.787 1.00 30.99 O ATOM 1805 CB ALA A 243 37.261 -7.811 52.974 1.00 28.30 C ATOM 1806 H ALA A 243 35.439 -9.390 52.138 1.00 0.00 H ATOM 1807 N SER A 244 35.315 -7.260 55.843 1.00 26.21 N ATOM 1808 CA SER A 244 34.551 -6.232 56.531 1.00 27.13 C ATOM 1809 C SER A 244 35.391 -5.042 56.972 1.00 25.51 C ATOM 1810 O SER A 244 34.824 -3.984 57.269 1.00 26.49 O ATOM 1811 CB SER A 244 33.809 -6.825 57.736 1.00 28.02 C ATOM 1812 OG SER A 244 34.714 -7.351 58.688 1.00 28.92 O ATOM 1813 HG SER A 244 35.311 -6.629 59.009 1.00 0.00 H ATOM 1814 H SER A 244 35.847 -7.957 56.401 1.00 0.00 H ATOM 1815 N MET A 245 36.716 -5.178 57.012 1.00 22.82 N ATOM 1816 CA MET A 245 37.611 -4.079 57.359 1.00 21.25 C ATOM 1817 C MET A 245 38.398 -3.713 56.111 1.00 20.70 C ATOM 1818 O MET A 245 39.226 -4.502 55.642 1.00 21.08 O ATOM 1819 CB MET A 245 38.559 -4.463 58.491 1.00 22.98 C ATOM 1820 CG MET A 245 39.365 -3.285 58.999 1.00 24.10 C ATOM 1821 SD MET A 245 40.718 -3.723 60.104 1.00 25.03 S ATOM 1822 CE MET A 245 39.899 -4.820 61.256 1.00 26.04 C ATOM 1823 H MET A 245 37.129 -6.105 56.787 1.00 0.00 H ATOM 1824 N ILE A 246 38.133 -2.528 55.573 1.00 19.66 N ATOM 1825 CA ILE A 246 38.776 -2.058 54.355 1.00 18.77 C ATOM 1826 C ILE A 246 39.871 -1.076 54.758 1.00 19.02 C ATOM 1827 O ILE A 246 39.597 -0.010 55.322 1.00 18.94 O ATOM 1828 CB ILE A 246 37.765 -1.434 53.384 1.00 18.96 C ATOM 1829 CG1 ILE A 246 36.578 -2.384 53.145 1.00 20.69 C ATOM 1830 CG2 ILE A 246 38.464 -1.058 52.083 1.00 20.64 C ATOM 1831 CD1 ILE A 246 37.004 -3.769 52.685 1.00 21.27 C ATOM 1832 H ILE A 246 37.438 -1.911 56.041 1.00 0.00 H ATOM 1833 N VAL A 247 41.111 -1.456 54.504 1.00 17.54 N ATOM 1834 CA VAL A 247 42.279 -0.641 54.814 1.00 16.27 C ATOM 1835 C VAL A 247 42.695 0.086 53.541 1.00 15.96 C ATOM 1836 O VAL A 247 42.575 -0.457 52.435 1.00 16.90 O ATOM 1837 CB VAL A 247 43.412 -1.535 55.353 1.00 16.92 C ATOM 1838 CG1 VAL A 247 44.631 -0.700 55.720 1.00 17.58 C ATOM 1839 CG2 VAL A 247 42.925 -2.351 56.556 1.00 18.56 C ATOM 1840 H VAL A 247 41.261 -2.384 54.060 1.00 0.00 H ATOM 1841 N MET A 248 43.179 1.316 53.686 1.00 15.87 N ATOM 1842 CA MET A 248 43.477 2.142 52.524 1.00 17.09 C ATOM 1843 C MET A 248 44.630 3.076 52.856 1.00 16.56 C ATOM 1844 O MET A 248 45.055 3.184 54.007 1.00 15.38 O ATOM 1845 CB MET A 248 42.244 2.917 52.043 1.00 20.81 C ATOM 1846 CG MET A 248 41.736 3.978 53.008 1.00 23.93 C ATOM 1847 SD MET A 248 39.935 4.188 52.909 1.00 26.07 S ATOM 1848 CE MET A 248 39.379 2.875 53.987 1.00 27.20 C ATOM 1849 H MET A 248 43.347 1.693 54.641 1.00 0.00 H ATOM 1850 N SER A 249 45.115 3.779 51.827 1.00 16.21 N ATOM 1851 CA SER A 249 46.384 4.488 51.965 1.00 14.86 C ATOM 1852 C SER A 249 46.298 5.716 52.869 1.00 15.74 C ATOM 1853 O SER A 249 47.251 5.997 53.595 1.00 16.04 O ATOM 1854 CB SER A 249 46.938 4.893 50.602 1.00 15.87 C ATOM 1855 OG SER A 249 47.475 3.769 49.936 1.00 14.73 O ATOM 1856 HG SER A 249 47.830 4.047 49.055 1.00 0.00 H ATOM 1857 H SER A 249 44.590 3.821 50.930 1.00 0.00 H ATOM 1858 N HIS A 250 45.210 6.494 52.815 1.00 19.05 N ATOM 1859 CA HIS A 250 45.233 7.825 53.421 1.00 22.71 C ATOM 1860 C HIS A 250 44.127 8.057 54.447 1.00 25.51 C ATOM 1861 O HIS A 250 43.873 9.206 54.822 1.00 29.02 O ATOM 1862 CB HIS A 250 45.223 8.918 52.349 1.00 22.45 C ATOM 1863 CG HIS A 250 46.305 8.758 51.330 1.00 19.20 C ATOM 1864 ND1 HIS A 250 47.644 8.776 51.656 1.00 17.65 N ATOM 1865 CD2 HIS A 250 46.247 8.543 49.994 1.00 18.56 C ATOM 1866 CE1 HIS A 250 48.365 8.588 50.565 1.00 18.68 C ATOM 1867 NE2 HIS A 250 47.541 8.444 49.542 1.00 18.78 N ATOM 1868 H HIS A 250 44.349 6.152 52.342 1.00 0.00 H ATOM 1869 N SER A 251 43.470 6.999 54.913 1.00 24.67 N ATOM 1870 CA SER A 251 42.454 7.123 55.948 1.00 25.14 C ATOM 1871 C SER A 251 42.523 5.898 56.844 1.00 23.24 C ATOM 1872 O SER A 251 43.066 4.860 56.461 1.00 22.17 O ATOM 1873 CB SER A 251 41.045 7.248 55.357 1.00 26.46 C ATOM 1874 OG SER A 251 40.922 8.416 54.570 1.00 29.33 O ATOM 1875 HG SER A 251 40.004 8.470 54.203 1.00 0.00 H ATOM 1876 H SER A 251 43.688 6.058 54.528 1.00 0.00 H ATOM 1877 N ALA A 252 41.971 6.036 58.052 1.00 22.95 N ATOM 1878 CA ALA A 252 41.866 4.913 58.966 1.00 21.87 C ATOM 1879 C ALA A 252 40.989 3.826 58.345 1.00 22.05 C ATOM 1880 O ALA A 252 40.185 4.105 57.453 1.00 22.66 O ATOM 1881 CB ALA A 252 41.259 5.376 60.289 1.00 22.83 C ATOM 1882 H ALA A 252 41.609 6.966 58.344 1.00 0.00 H ATOM 1883 N PRO A 253 41.139 2.576 58.791 1.00 20.21 N ATOM 1884 CA PRO A 253 40.284 1.498 58.276 1.00 20.88 C ATOM 1885 C PRO A 253 38.806 1.829 58.418 1.00 22.85 C ATOM 1886 O PRO A 253 38.376 2.482 59.372 1.00 23.70 O ATOM 1887 CB PRO A 253 40.671 0.297 59.147 1.00 21.51 C ATOM 1888 CG PRO A 253 42.080 0.573 59.538 1.00 20.94 C ATOM 1889 CD PRO A 253 42.176 2.065 59.707 1.00 19.89 C ATOM 1890 N ASP A 254 38.028 1.367 57.445 1.00 23.76 N ATOM 1891 CA ASP A 254 36.616 1.698 57.345 1.00 25.39 C ATOM 1892 C ASP A 254 35.831 0.442 57.000 1.00 25.60 C ATOM 1893 O ASP A 254 36.392 -0.626 56.741 1.00 24.27 O ATOM 1894 CB ASP A 254 36.397 2.776 56.276 1.00 27.51 C ATOM 1895 CG ASP A 254 35.103 3.548 56.460 1.00 30.56 C ATOM 1896 OD1 ASP A 254 34.342 3.290 57.427 1.00 30.65 O ATOM 1897 OD2 ASP A 254 34.853 4.435 55.617 1.00 32.60 O ATOM 1898 H ASP A 254 38.446 0.743 56.726 1.00 0.00 H ATOM 1899 N SER A 255 34.511 0.579 57.010 1.00 25.53 N ATOM 1900 CA SER A 255 33.627 -0.493 56.591 1.00 26.18 C ATOM 1901 C SER A 255 33.587 -0.566 55.068 1.00 25.72 C ATOM 1902 O SER A 255 34.219 0.226 54.365 1.00 25.54 O ATOM 1903 CB SER A 255 32.219 -0.244 57.120 1.00 27.59 C ATOM 1904 OG SER A 255 31.567 0.716 56.309 1.00 29.21 O ATOM 1905 HG SER A 255 30.654 0.874 56.656 1.00 0.00 H ATOM 1906 H SER A 255 34.099 1.480 57.327 1.00 0.00 H ATOM 1907 N ARG A 256 32.807 -1.519 54.551 1.00 25.40 N ATOM 1908 CA ARG A 256 32.658 -1.675 53.108 1.00 24.54 C ATOM 1909 C ARG A 256 31.986 -0.477 52.455 1.00 25.84 C ATOM 1910 O ARG A 256 32.007 -0.371 51.223 1.00 26.00 O ATOM 1911 CB ARG A 256 31.877 -2.952 52.793 1.00 25.27 C ATOM 1912 CG ARG A 256 32.654 -4.223 53.109 1.00 25.70 C ATOM 1913 CD ARG A 256 31.896 -5.469 52.677 1.00 27.37 C ATOM 1914 NE ARG A 256 31.891 -5.655 51.226 1.00 26.40 N ATOM 1915 CZ ARG A 256 32.906 -6.153 50.527 1.00 26.43 C ATOM 1916 NH1 ARG A 256 34.028 -6.507 51.145 1.00 25.35 N ATOM 1917 NH2 ARG A 256 32.800 -6.290 49.207 1.00 26.76 N ATOM 1918 HE ARG A 256 31.034 -5.379 50.705 1.00 0.00 H ATOM 1919 HH12 ARG A 256 34.822 -6.897 50.598 1.00 0.00 H ATOM 1920 HH11 ARG A 256 34.112 -6.394 52.175 1.00 0.00 H ATOM 1921 HH22 ARG A 256 33.594 -6.680 48.659 1.00 0.00 H ATOM 1922 HH21 ARG A 256 31.924 -6.007 48.724 1.00 0.00 H ATOM 1923 H ARG A 256 32.296 -2.162 55.189 1.00 0.00 H ATOM 1924 N ALA A 257 31.389 0.421 53.244 1.00 26.13 N ATOM 1925 CA ALA A 257 30.873 1.667 52.692 1.00 27.14 C ATOM 1926 C ALA A 257 31.968 2.496 52.034 1.00 27.15 C ATOM 1927 O ALA A 257 31.664 3.330 51.177 1.00 28.00 O ATOM 1928 CB ALA A 257 30.172 2.483 53.779 1.00 26.98 C ATOM 1929 H ALA A 257 31.292 0.229 54.261 1.00 0.00 H ATOM 1930 N ALA A 258 33.233 2.288 52.415 1.00 26.41 N ATOM 1931 CA ALA A 258 34.326 2.954 51.713 1.00 25.98 C ATOM 1932 C ALA A 258 34.341 2.568 50.237 1.00 26.15 C ATOM 1933 O ALA A 258 34.587 3.412 49.366 1.00 26.54 O ATOM 1934 CB ALA A 258 35.663 2.617 52.379 1.00 26.01 C ATOM 1935 H ALA A 258 33.438 1.652 53.212 1.00 0.00 H ATOM 1936 N ILE A 259 34.058 1.298 49.935 1.00 26.83 N ATOM 1937 CA ILE A 259 34.079 0.832 48.553 1.00 26.57 C ATOM 1938 C ILE A 259 32.923 1.435 47.769 1.00 28.63 C ATOM 1939 O ILE A 259 33.107 1.961 46.664 1.00 28.47 O ATOM 1940 CB ILE A 259 34.038 -0.705 48.503 1.00 27.58 C ATOM 1941 CG1 ILE A 259 35.205 -1.313 49.274 1.00 27.18 C ATOM 1942 CG2 ILE A 259 34.029 -1.189 47.060 1.00 27.10 C ATOM 1943 CD1 ILE A 259 35.081 -2.807 49.434 1.00 27.34 C ATOM 1944 H ILE A 259 33.819 0.631 50.697 1.00 0.00 H ATOM 1945 N THR A 260 31.707 1.341 48.315 1.00 30.11 N ATOM 1946 CA THR A 260 30.549 1.863 47.597 1.00 30.52 C ATOM 1947 C THR A 260 30.652 3.373 47.411 1.00 31.71 C ATOM 1948 O THR A 260 30.309 3.896 46.344 1.00 31.95 O ATOM 1949 CB THR A 260 29.236 1.450 48.277 1.00 31.75 C ATOM 1950 OG1 THR A 260 29.327 1.613 49.696 1.00 30.72 O ATOM 1951 CG2 THR A 260 28.893 -0.010 47.954 1.00 33.71 C ATOM 1952 HG1 THR A 260 29.512 2.562 49.907 1.00 0.00 H ATOM 1953 H THR A 260 31.586 0.898 49.248 1.00 0.00 H ATOM 1954 N HIS A 261 31.161 4.086 48.421 1.00 31.85 N ATOM 1955 CA HIS A 261 31.288 5.537 48.310 1.00 32.21 C ATOM 1956 C HIS A 261 32.371 5.931 47.312 1.00 30.90 C ATOM 1957 O HIS A 261 32.188 6.871 46.530 1.00 32.15 O ATOM 1958 CB HIS A 261 31.551 6.160 49.681 1.00 33.20 C ATOM 1959 CG HIS A 261 31.830 7.631 49.636 1.00 34.22 C ATOM 1960 ND1 HIS A 261 30.866 8.563 49.318 1.00 35.29 N ATOM 1961 CD2 HIS A 261 32.965 8.331 49.871 1.00 35.76 C ATOM 1962 CE1 HIS A 261 31.395 9.773 49.357 1.00 35.46 C ATOM 1963 NE2 HIS A 261 32.668 9.660 49.692 1.00 36.22 N ATOM 1964 H HIS A 261 31.468 3.605 49.290 1.00 0.00 H ATOM 1965 N THR A 262 33.515 5.240 47.331 1.00 29.70 N ATOM 1966 CA THR A 262 34.556 5.530 46.348 1.00 29.00 C ATOM 1967 C THR A 262 34.036 5.336 44.930 1.00 29.55 C ATOM 1968 O THR A 262 34.299 6.158 44.043 1.00 30.60 O ATOM 1969 CB THR A 262 35.773 4.632 46.583 1.00 26.43 C ATOM 1970 OG1 THR A 262 36.378 4.944 47.846 1.00 26.85 O ATOM 1971 CG2 THR A 262 36.793 4.828 45.473 1.00 25.97 C ATOM 1972 HG1 THR A 262 35.720 4.797 48.571 1.00 0.00 H ATOM 1973 H THR A 262 33.664 4.498 48.044 1.00 0.00 H ATOM 1974 N ALA A 263 33.298 4.251 44.698 1.00 30.24 N ATOM 1975 CA ALA A 263 32.767 3.990 43.365 1.00 32.37 C ATOM 1976 C ALA A 263 31.815 5.094 42.914 1.00 34.56 C ATOM 1977 O ALA A 263 31.820 5.481 41.740 1.00 34.78 O ATOM 1978 CB ALA A 263 32.088 2.621 43.327 1.00 32.08 C ATOM 1979 H ALA A 263 33.099 3.586 45.473 1.00 0.00 H ATOM 1980 N ARG A 264 30.971 5.642 43.803 1.00 35.36 N ATOM 1981 CA ARG A 264 30.025 6.755 43.441 1.00 36.86 C ATOM 1982 C ARG A 264 30.806 8.010 43.048 1.00 37.64 C ATOM 1983 O ARG A 264 30.456 8.759 42.147 1.00 38.59 O ATOM 1984 CB ARG A 264 29.044 7.089 44.584 1.00 38.05 C ATOM 1985 CG ARG A 264 27.753 6.254 44.806 1.00 39.38 C ATOM 1986 CD ARG A 264 26.893 5.749 43.614 1.00 39.92 C ATOM 1987 NE ARG A 264 25.508 6.269 43.486 1.00 40.20 N ATOM 1988 CZ ARG A 264 24.875 6.431 42.331 1.00 39.51 C ATOM 1989 NH1 ARG A 264 25.456 6.118 41.195 1.00 38.89 N ATOM 1990 NH2 ARG A 264 23.636 6.904 42.298 1.00 40.05 N ATOM 1991 HE ARG A 264 25.001 6.523 44.358 1.00 0.00 H ATOM 1992 HH12 ARG A 264 24.948 6.250 40.297 1.00 0.00 H ATOM 1993 HH11 ARG A 264 26.424 5.738 41.193 1.00 0.00 H ATOM 1994 HH22 ARG A 264 23.150 7.027 41.387 1.00 0.00 H ATOM 1995 HH21 ARG A 264 23.150 7.152 43.184 1.00 0.00 H ATOM 1996 H ARG A 264 30.971 5.283 44.779 1.00 0.00 H ATOM 1997 N MET A 265 31.867 8.300 43.755 1.00 37.16 N ATOM 1998 CA MET A 265 32.644 9.478 43.384 1.00 37.01 C ATOM 1999 C MET A 265 33.310 9.293 42.026 1.00 36.39 C ATOM 2000 O MET A 265 33.390 10.237 41.230 1.00 36.68 O ATOM 2001 CB MET A 265 33.701 9.769 44.452 1.00 37.69 C ATOM 2002 CG MET A 265 33.200 10.568 45.642 1.00 38.51 C ATOM 2003 SD MET A 265 34.544 11.231 46.650 1.00 39.14 S ATOM 2004 CE MET A 265 35.365 9.723 47.146 1.00 38.82 C ATOM 2005 H MET A 265 32.150 7.706 44.561 1.00 0.00 H ATOM 2006 N ALA A 266 33.805 8.084 41.745 1.00 35.57 N ATOM 2007 CA ALA A 266 34.457 7.833 40.465 1.00 35.07 C ATOM 2008 C ALA A 266 33.465 7.860 39.308 1.00 36.92 C ATOM 2009 O ALA A 266 33.854 8.133 38.167 1.00 37.73 O ATOM 2010 CB ALA A 266 35.217 6.505 40.509 1.00 33.62 C ATOM 2011 H ALA A 266 33.725 7.318 42.443 1.00 0.00 H ATOM 2012 N ASP A 267 32.192 7.574 39.578 1.00 38.38 N ATOM 2013 CA ASP A 267 31.171 7.728 38.546 1.00 41.36 C ATOM 2014 C ASP A 267 31.170 9.137 37.957 1.00 44.51 C ATOM 2015 O ASP A 267 30.916 9.302 36.758 1.00 45.16 O ATOM 2016 CB ASP A 267 29.791 7.369 39.104 1.00 41.60 C ATOM 2017 CG ASP A 267 29.594 5.870 39.253 1.00 41.17 C ATOM 2018 OD1 ASP A 267 30.312 5.114 38.569 1.00 40.57 O ATOM 2019 OD2 ASP A 267 28.720 5.443 40.042 1.00 40.31 O ATOM 2020 H ASP A 267 31.925 7.240 40.526 1.00 0.00 H ATOM 2021 N LYS A 268 31.470 10.157 38.769 1.00 47.32 N ATOM 2022 CA LYS A 268 31.435 11.535 38.280 1.00 50.76 C ATOM 2023 C LYS A 268 32.539 11.830 37.272 1.00 52.22 C ATOM 2024 O LYS A 268 32.389 12.752 36.463 1.00 53.24 O ATOM 2025 CB LYS A 268 31.524 12.534 39.436 1.00 52.63 C ATOM 2026 CG LYS A 268 30.682 12.180 40.646 1.00 54.38 C ATOM 2027 CD LYS A 268 29.239 12.608 40.463 1.00 55.74 C ATOM 2028 CE LYS A 268 28.371 12.092 41.600 1.00 56.69 C ATOM 2029 NZ LYS A 268 28.937 12.452 42.930 1.00 57.20 N ATOM 2030 HZ1 LYS A 268 29.885 12.036 43.026 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 29.001 13.487 43.009 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 28.318 12.083 43.680 1.00 0.00 H ATOM 2033 H LYS A 268 31.731 9.968 39.758 1.00 0.00 H ATOM 2034 N LEU A 269 33.642 11.078 37.303 1.00 51.71 N ATOM 2035 CA LEU A 269 34.716 11.275 36.336 1.00 51.60 C ATOM 2036 C LEU A 269 34.342 10.823 34.931 1.00 53.65 C ATOM 2037 O LEU A 269 35.155 10.990 34.014 1.00 54.64 O ATOM 2038 CB LEU A 269 35.982 10.540 36.784 1.00 49.23 C ATOM 2039 CG LEU A 269 36.501 10.784 38.201 1.00 47.46 C ATOM 2040 CD1 LEU A 269 37.673 9.860 38.487 1.00 46.73 C ATOM 2041 CD2 LEU A 269 36.904 12.237 38.382 1.00 47.31 C ATOM 2042 H LEU A 269 33.737 10.339 38.029 1.00 0.00 H ATOM 2043 N ARG A 270 33.157 10.251 34.742 1.00 54.39 N ATOM 2044 CA ARG A 270 32.729 9.783 33.430 1.00 55.47 C ATOM 2045 C ARG A 270 31.751 10.764 32.794 1.00 56.24 C ATOM 2046 O ARG A 270 31.485 10.703 31.594 1.00 56.77 O ATOM 2047 CB ARG A 270 32.085 8.401 33.541 1.00 56.09 C ATOM 2048 CG ARG A 270 32.656 7.539 34.654 1.00 57.26 C ATOM 2049 CD ARG A 270 32.369 6.074 34.403 1.00 58.45 C ATOM 2050 NE ARG A 270 33.030 5.597 33.193 1.00 59.97 N ATOM 2051 CZ ARG A 270 32.409 4.977 32.195 1.00 60.92 C ATOM 2052 NH1 ARG A 270 33.095 4.575 31.134 1.00 61.77 N ATOM 2053 NH2 ARG A 270 31.102 4.762 32.255 1.00 60.45 N ATOM 2054 OXT ARG A 270 31.204 11.638 33.466 1.00 56.60 O ATOM 2055 HE ARG A 270 34.055 5.752 33.106 1.00 0.00 H ATOM 2056 HH12 ARG A 270 32.608 4.090 30.353 1.00 0.00 H ATOM 2057 HH11 ARG A 270 34.120 4.745 31.082 1.00 0.00 H ATOM 2058 HH22 ARG A 270 30.618 4.277 31.473 1.00 0.00 H ATOM 2059 HH21 ARG A 270 30.560 5.079 33.084 1.00 0.00 H ATOM 2060 H ARG A 270 32.517 10.134 35.554 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 49.469 6.854 44.061 1.00 15.08 ZN HETATM 2063 ZN ZN A 2 47.909 7.869 47.657 1.00 19.33 ZN HETATM 2064 O HOH 3 24.676 9.612 45.708 1.00 50.86 O HETATM 2065 O HOH 4 47.014 17.007 54.587 1.00 28.14 O HETATM 2066 O HOH 5 66.231 -1.124 60.169 1.00 28.04 O HETATM 2067 O HOH 6 51.047 -19.777 56.435 1.00 52.07 O HETATM 2068 O HOH 7 66.265 -3.281 62.475 1.00 30.45 O HETATM 2069 O HOH 8 47.883 -1.054 68.224 1.00 34.29 O HETATM 2070 O HOH 9 67.908 -0.966 45.702 1.00 26.57 O HETATM 2071 O HOH 10 29.822 -8.995 51.354 1.00 47.70 O HETATM 2072 O HOH 11 67.826 5.051 54.827 1.00 43.75 O HETATM 2073 O HOH 12 57.447 17.514 58.483 1.00 36.77 O HETATM 2074 O HOH 13 48.975 5.188 35.730 1.00 26.41 O HETATM 2075 O HOH 14 60.106 -17.482 47.210 1.00 34.15 O HETATM 2076 O HOH 15 47.490 15.571 57.085 1.00 21.59 O HETATM 2077 O HOH 16 37.645 -6.897 62.531 1.00 50.04 O HETATM 2078 O HOH 17 49.023 5.839 72.041 1.00 33.33 O HETATM 2079 O HOH 18 53.663 10.598 38.017 1.00 19.75 O HETATM 2080 O HOH 19 60.563 -20.809 48.169 1.00 40.62 O HETATM 2081 O HOH 20 40.926 8.166 51.972 1.00 33.46 O HETATM 2082 O HOH 21 36.704 10.018 32.049 1.00 46.34 O HETATM 2083 O HOH 22 42.817 8.273 43.413 1.00 29.94 O HETATM 2084 O HOH 23 57.597 -12.756 40.510 1.00 20.38 O HETATM 2085 O HOH 24 60.242 -14.890 43.560 1.00 27.62 O HETATM 2086 O HOH 25 44.700 2.613 32.099 1.00 37.71 O HETATM 2087 O HOH 26 38.592 -13.314 48.151 1.00 44.98 O HETATM 2088 O HOH 27 49.613 -17.551 59.220 1.00 20.34 O HETATM 2089 O HOH 28 58.353 5.829 29.848 1.00 31.45 O HETATM 2090 O HOH 29 38.274 5.974 57.699 1.00 34.93 O HETATM 2091 O HOH 30 37.846 -4.069 36.399 1.00 34.54 O HETATM 2092 O HOH 31 43.227 2.172 56.467 1.00 17.62 O HETATM 2093 O HOH 32 62.283 -0.855 35.339 1.00 28.22 O HETATM 2094 O HOH 33 59.418 10.765 58.988 1.00 29.04 O HETATM 2095 O HOH 34 31.481 -4.662 44.119 1.00 54.53 O HETATM 2096 O HOH 35 39.222 2.766 61.918 1.00 36.08 O HETATM 2097 O HOH 36 49.256 -16.687 48.784 1.00 45.40 O HETATM 2098 O HOH 37 64.475 -11.659 54.151 1.00 21.47 O HETATM 2099 O HOH 38 51.071 -6.424 34.677 1.00 37.60 O HETATM 2100 O HOH 39 61.061 -8.255 37.415 1.00 32.81 O HETATM 2101 O HOH 40 43.044 12.642 35.778 1.00 50.27 O HETATM 2102 O HOH 41 64.993 3.248 39.234 1.00 25.94 O HETATM 2103 O HOH 42 48.754 2.898 61.697 1.00 15.81 O HETATM 2104 O HOH 43 62.065 3.772 45.455 1.00 15.70 O HETATM 2105 O HOH 44 56.551 2.843 70.696 1.00 43.05 O HETATM 2106 O HOH 45 52.545 3.562 52.800 1.00 13.06 O HETATM 2107 O HOH 46 55.883 -7.998 71.213 1.00 44.07 O HETATM 2108 O HOH 47 62.356 10.393 56.033 1.00 20.36 O HETATM 2109 O HOH 48 53.513 4.002 55.544 1.00 11.96 O HETATM 2110 O HOH 49 58.661 -15.207 47.944 1.00 19.03 O HETATM 2111 O HOH 50 49.058 15.097 40.072 1.00 42.61 O HETATM 2112 O HOH 51 44.447 -8.560 34.685 1.00 30.50 O HETATM 2113 O HOH 52 66.914 -7.948 48.683 1.00 40.70 O HETATM 2114 O HOH 53 67.412 -9.552 63.763 1.00 47.01 O HETATM 2115 O HOH 54 52.378 -3.137 42.181 1.00 10.64 O HETATM 2116 O HOH 55 65.614 -2.884 41.541 1.00 36.57 O HETATM 2117 O HOH 56 59.986 4.037 33.640 1.00 16.93 O HETATM 2118 O HOH 57 62.696 -8.705 62.481 1.00 17.37 O HETATM 2119 O HOH 58 45.768 -0.008 45.023 1.00 13.99 O HETATM 2120 O HOH 59 44.030 -15.163 32.046 1.00 33.27 O HETATM 2121 O HOH 60 63.563 -12.191 51.611 1.00 24.09 O HETATM 2122 O HOH 61 35.056 -5.446 60.643 1.00 52.95 O HETATM 2123 O HOH 62 61.490 -18.021 61.837 1.00 37.05 O HETATM 2124 O HOH 63 47.908 1.373 46.030 1.00 13.10 O HETATM 2125 O HOH 64 45.128 -2.662 32.528 1.00 49.63 O HETATM 2126 O HOH 65 56.664 9.322 59.214 1.00 18.62 O HETATM 2127 O HOH 66 35.085 5.999 36.734 1.00 35.22 O HETATM 2128 O HOH 67 45.997 5.764 34.046 1.00 38.95 O HETATM 2129 O HOH 68 51.160 -4.223 68.665 1.00 37.44 O HETATM 2130 O HOH 69 55.072 9.594 43.791 1.00 19.07 O HETATM 2131 O HOH 70 33.668 -9.697 59.723 1.00 47.68 O HETATM 2132 O HOH 71 61.444 -12.998 39.376 1.00 36.16 O HETATM 2133 O HOH 72 48.499 -13.877 46.208 1.00 20.34 O HETATM 2134 O HOH 73 57.699 -12.362 36.727 1.00 34.26 O HETATM 2135 O HOH 74 62.091 -5.771 38.287 1.00 36.07 O HETATM 2136 O HOH 75 64.264 -7.885 69.028 1.00 37.05 O HETATM 2137 O HOH 76 58.563 13.252 56.586 1.00 21.79 O HETATM 2138 O HOH 77 47.037 9.183 40.261 1.00 20.26 O HETATM 2139 O HOH 78 48.158 -15.829 66.168 1.00 30.08 O HETATM 2140 O HOH 79 57.154 -19.766 41.594 1.00 19.60 O HETATM 2141 O HOH 80 43.512 5.914 49.141 1.00 42.11 O HETATM 2142 O HOH 81 71.720 -5.869 55.676 1.00 54.14 O HETATM 2143 O HOH 82 66.803 -1.032 55.852 1.00 21.07 O HETATM 2144 O HOH 83 65.863 5.129 59.773 1.00 25.65 O HETATM 2145 O HOH 84 62.691 6.387 45.228 1.00 20.34 O HETATM 2146 O HOH 85 44.427 15.296 40.872 1.00 35.38 O HETATM 2147 O HOH 86 55.738 10.060 70.510 1.00 31.47 O HETATM 2148 O HOH 87 55.862 6.378 71.847 1.00 26.95 O HETATM 2149 O HOH 88 63.996 7.798 50.412 1.00 24.69 O HETATM 2150 O HOH 89 55.787 -19.479 58.892 1.00 17.02 O HETATM 2151 O HOH 90 57.470 2.697 30.913 1.00 33.39 O HETATM 2152 O HOH 91 58.418 -4.887 34.230 1.00 54.20 O HETATM 2153 O HOH 92 32.101 -3.617 56.552 1.00 33.46 O HETATM 2154 O HOH 93 54.104 11.042 40.707 1.00 23.92 O HETATM 2155 O HOH 94 33.455 -3.943 38.210 1.00 32.66 O HETATM 2156 O HOH 95 64.540 -9.845 64.075 1.00 50.11 O HETATM 2157 O HOH 96 63.220 -6.455 60.982 1.00 17.31 O HETATM 2158 O HOH 97 38.224 -1.437 35.181 1.00 33.29 O HETATM 2159 O HOH 98 54.833 8.970 65.697 1.00 17.55 O HETATM 2160 O HOH 99 59.989 -11.200 37.928 1.00 25.96 O HETATM 2161 O HOH 100 42.255 -1.746 65.124 1.00 53.04 O HETATM 2162 O HOH 101 31.139 0.568 37.564 1.00 39.68 O HETATM 2163 O HOH 102 68.338 -12.039 52.793 1.00 42.27 O HETATM 2164 O HOH 103 50.413 11.597 39.954 1.00 29.08 O HETATM 2165 O HOH 104 34.267 2.514 35.267 1.00 35.15 O HETATM 2166 O HOH 105 46.009 -15.902 42.849 1.00 31.91 O HETATM 2167 O HOH 106 46.139 -10.652 31.778 1.00 46.94 O HETATM 2168 O HOH 107 44.667 -1.374 67.878 1.00 39.62 O HETATM 2169 O HOH 108 40.348 -8.010 62.888 1.00 39.32 O HETATM 2170 O HOH 109 36.984 -14.154 46.155 1.00 50.32 O HETATM 2171 O HOH 110 49.269 8.239 69.290 1.00 51.19 O HETATM 2172 O HOH 111 48.632 -3.436 35.424 1.00 33.15 O HETATM 2173 O HOH 112 46.067 6.672 58.734 1.00 31.69 O HETATM 2174 O HOH 113 40.416 -6.967 36.940 1.00 36.96 O HETATM 2175 O HOH 114 66.090 -9.957 55.606 1.00 23.13 O HETATM 2176 O HOH 115 58.124 15.644 55.541 1.00 28.34 O HETATM 2177 O HOH 116 49.667 -8.905 34.140 1.00 24.05 O HETATM 2178 O HOH 117 62.372 1.592 71.143 1.00 44.28 O HETATM 2179 O HOH 118 40.432 14.912 43.175 1.00 45.81 O HETATM 2180 O HOH 119 68.241 -7.103 57.553 1.00 26.62 O HETATM 2181 O HOH 120 36.175 -8.867 40.937 1.00 40.07 O HETATM 2182 O HOH 121 28.189 7.648 48.629 1.00 46.25 O HETATM 2183 O HOH 122 64.006 3.530 47.409 1.00 14.51 O HETATM 2184 O HOH 123 47.156 12.889 56.433 1.00 35.13 O HETATM 2185 O HOH 124 58.581 -6.029 72.291 1.00 43.05 O HETATM 2186 O HOH 125 65.320 8.475 53.512 1.00 20.57 O HETATM 2187 O HOH 126 54.579 -14.136 34.191 1.00 30.04 O HETATM 2188 O HOH 127 40.966 8.683 58.775 1.00 35.10 O HETATM 2189 O HOH 128 43.215 10.052 48.928 1.00 47.22 O HETATM 2190 O HOH 129 50.930 -18.963 37.811 1.00 24.62 O HETATM 2191 O HOH 130 42.864 6.443 51.063 1.00 28.56 O HETATM 2192 O HOH 131 52.834 -19.513 50.770 1.00 29.93 O HETATM 2193 O HOH 132 45.996 -14.693 58.673 1.00 45.36 O HETATM 2194 O HOH 133 64.778 7.503 38.726 1.00 47.84 O HETATM 2195 O HOH 134 58.764 16.896 51.460 1.00 45.15 O HETATM 2196 O HOH 135 48.563 9.860 73.280 1.00 41.00 O HETATM 2197 O HOH 136 42.708 -16.407 38.011 1.00 45.21 O HETATM 2198 O HOH 137 45.990 10.317 33.778 1.00 51.76 O HETATM 2199 O HOH 138 64.347 -9.490 57.903 1.00 17.46 O HETATM 2200 O HOH 139 46.979 4.745 62.929 1.00 29.18 O HETATM 2201 O HOH 140 27.915 3.882 50.984 1.00 39.10 O HETATM 2202 O HOH 141 61.258 7.784 62.737 1.00 37.27 O HETATM 2203 O HOH 142 45.345 -12.255 62.204 1.00 37.26 O HETATM 2204 O HOH 143 64.973 0.440 39.256 1.00 21.66 O HETATM 2205 O HOH 144 64.308 -14.199 65.129 1.00 49.57 O HETATM 2206 O HOH 145 45.362 -16.534 38.686 1.00 32.63 O HETATM 2207 O HOH 146 48.857 -14.950 58.834 1.00 32.51 O HETATM 2208 O HOH 147 37.628 13.516 42.802 1.00 44.54 O HETATM 2209 O HOH 148 51.837 -18.321 47.777 1.00 30.55 O HETATM 2210 O HOH 149 44.741 4.908 61.178 1.00 33.16 O HETATM 2211 O HOH 150 41.388 -15.198 34.001 1.00 33.83 O HETATM 2212 O HOH 151 51.568 -18.730 45.440 1.00 38.65 O HETATM 2213 O HOH 152 26.440 9.972 44.665 1.00 52.57 O HETATM 2214 O HOH 153 40.012 -11.031 53.533 1.00 41.73 O HETATM 2215 O HOH 154 61.150 12.451 50.265 1.00 38.37 O HETATM 2216 O HOH 155 50.197 -16.094 45.511 1.00 36.51 O HETATM 2217 O HOH 156 40.656 -4.159 65.158 1.00 45.50 O HETATM 2218 O HOH 157 40.312 -10.451 61.206 1.00 33.49 O HETATM 2219 O HOH 158 41.197 6.734 63.645 1.00 53.21 O HETATM 2220 O HOH 159 46.015 -16.920 33.203 1.00 45.48 O HETATM 2221 O HOH 160 36.671 -12.172 50.762 1.00 41.75 O HETATM 2222 O HOH 161 61.661 7.765 47.202 1.00 32.76 O HETATM 2223 O HOH 162 70.156 2.005 44.867 1.00 36.20 O HETATM 2224 O HOH 163 59.721 -17.607 53.828 1.00 36.15 O HETATM 2225 O HOH 164 42.310 9.047 32.217 1.00 47.26 O HETATM 2226 O HOH 165 37.259 13.374 33.882 1.00 48.02 O HETATM 2227 O HOH 166 61.981 0.568 32.744 1.00 37.07 O HETATM 2228 O HOH 167 36.665 10.199 57.765 1.00 55.32 O HETATM 2229 O HOH 168 55.359 11.880 45.858 1.00 47.44 O HETATM 2230 O HOH 169 41.002 0.304 63.210 1.00 38.30 O HETATM 2231 O HOH 170 46.580 11.838 59.452 1.00 49.75 O HETATM 2232 O HOH 171 59.804 -15.314 50.473 1.00 30.39 O HETATM 2233 O HOH 172 35.445 -2.090 59.966 1.00 51.96 O HETATM 2234 O HOH 173 44.480 -15.662 61.045 1.00 52.99 O HETATM 2235 O HOH 174 35.040 13.057 42.148 1.00 48.31 O HETATM 2236 O HOH 175 38.254 -7.974 36.974 1.00 50.00 O HETATM 2237 O HOH 176 49.115 -19.065 54.840 1.00 47.66 O HETATM 2238 O HOH 177 42.252 -12.542 62.207 1.00 42.73 O HETATM 2239 O HOH 178 31.217 -5.616 46.198 1.00 46.02 O HETATM 2240 O HOH 179 63.592 6.936 33.634 1.00 35.70 O HETATM 2241 O HOH 180 32.731 -5.727 39.844 1.00 39.90 O HETATM 2242 O HOH 181 46.486 16.047 38.940 1.00 46.55 O HETATM 2243 O HOH 182 41.325 -12.322 51.413 1.00 48.99 O HETATM 2244 O HOH 183 71.536 -3.507 48.798 1.00 40.13 O HETATM 2245 O HOH 184 49.479 -18.234 36.380 1.00 47.30 O HETATM 2246 O HOH 185 41.603 17.089 45.009 1.00 43.18 O HETATM 2247 O HOH 186 64.566 11.080 54.417 1.00 43.32 O HETATM 2248 O HOH 187 34.673 0.990 33.140 1.00 38.32 O HETATM 2249 O HOH 188 51.019 14.070 38.769 1.00 50.66 O HETATM 2250 O HOH 189 42.255 -17.427 35.460 1.00 37.88 O HETATM 2251 O HOH 190 65.014 7.558 61.033 1.00 44.51 O HETATM 2252 O HOH 191 34.203 -14.221 44.703 1.00 48.09 O HETATM 2253 O HOH 192 61.830 7.777 60.131 1.00 41.17 O HETATM 2254 O HOH 193 46.100 -15.142 45.414 1.00 47.13 O HETATM 2255 O HOH 194 65.588 7.681 63.212 1.00 47.81 O HETATM 2256 O HOH 195 68.175 2.784 53.187 1.00 47.16 O HETATM 2257 O HOH 196 62.265 4.665 32.337 1.00 27.32 O HETATM 2258 O HOH 197 62.526 9.949 64.058 1.00 45.89 O HETATM 2259 O HOH 198 48.038 9.545 64.843 1.00 40.74 O HETATM 2260 O HOH 199 31.384 1.747 35.723 1.00 45.13 O HETATM 2261 O HOH 200 60.910 12.701 55.149 1.00 24.03 O HETATM 2262 O HOH 201 36.188 -11.557 41.524 1.00 45.69 O HETATM 2263 O HOH 202 40.977 10.459 51.199 1.00 51.56 O HETATM 2264 O HOH 203 30.492 -7.845 45.682 1.00 52.08 O HETATM 2265 O HOH 204 43.069 14.517 48.840 1.00 53.68 O HETATM 2266 O HOH 205 65.876 -5.723 61.307 1.00 20.29 O HETATM 2267 O HOH 206 68.468 -11.312 56.206 1.00 47.34 O HETATM 2268 O HOH 207 35.174 -4.978 36.380 1.00 52.69 O HETATM 2269 O HOH 208 47.006 -7.696 33.729 1.00 53.72 O HETATM 2270 O HOH 209 45.742 8.824 59.368 1.00 46.02 O HETATM 2271 O HOH 210 54.104 -16.361 34.791 1.00 40.22 O HETATM 2272 O HOH 211 69.111 -10.598 45.675 1.00 51.35 O HETATM 2273 O HOH 212 29.417 -8.013 53.867 1.00 38.87 O HETATM 2274 O HOH 213 61.894 10.174 58.759 1.00 31.78 O HETATM 2275 O HOH 214 62.095 -15.475 55.877 1.00 47.84 O HETATM 2276 O HOH 215 34.076 -8.686 63.770 1.00 58.33 O HETATM 2277 O HOH 216 67.822 -7.572 61.944 1.00 49.95 O HETATM 2278 O HOH 217 46.907 -18.194 36.974 1.00 40.43 O HETATM 2279 O HOH 218 62.215 -17.667 57.851 1.00 46.37 O HETATM 2280 O HOH 219 64.935 -14.070 55.386 1.00 52.91 O HETATM 2281 O HOH 220 41.574 -4.397 33.552 1.00 46.34 O HETATM 2282 O HOH 221 65.678 -5.278 69.199 1.00 51.29 O HETATM 2283 O HOH 222 68.007 -1.392 42.416 1.00 43.05 O HETATM 2284 O HOH 223 40.250 -9.636 65.099 1.00 45.99 O HETATM 2285 O HOH 224 62.225 -4.564 36.372 1.00 40.40 O HETATM 2286 O HOH 225 31.282 -2.348 37.322 1.00 40.64 O HETATM 2287 O HOH 226 34.047 -8.001 39.363 1.00 45.10 O HETATM 2288 O HOH 227 65.934 -10.730 59.712 1.00 27.57 O HETATM 2289 O HOH 228 70.803 -0.797 55.942 1.00 45.11 O HETATM 2290 O HOH 229 68.597 1.072 55.434 1.00 33.13 O HETATM 2291 O HOH 230 64.001 -6.811 58.312 1.00 17.46 O HETATM 2292 O HOH 231 63.232 -18.884 60.055 1.00 54.17 O HETATM 2293 O HOH 232 70.415 -5.620 58.026 1.00 46.33 O HETATM 2294 O HOH 233 35.939 -1.409 33.443 1.00 44.18 O HETATM 2295 O HOH 234 44.952 -18.346 34.574 1.00 52.74 O HETATM 2296 O HOH 235 60.138 15.897 53.318 1.00 44.45 O HETATM 2297 O HOH 236 69.838 -2.970 57.881 1.00 53.16 O HETATM 2298 O HOH 237 51.165 -9.999 31.873 1.00 48.67 O HETATM 2299 O HOH 238 63.207 -17.003 63.825 1.00 48.83 O HETATM 2300 O HOH 239 46.181 -15.167 68.257 1.00 39.16 O HETATM 2301 O HOH 240 64.676 -0.626 36.818 1.00 22.97 O HETATM 2302 O HOH 241 66.386 -5.255 58.662 1.00 22.28 O HETATM 2303 O HOH 242 39.787 -3.236 33.093 1.00 50.53 O HETATM 2304 O HOH 243 67.144 -2.644 58.059 1.00 21.26 O HETATM 2305 O HOH 244 57.156 -13.887 34.822 1.00 48.72 O HETATM 2306 O HOH 245 68.257 -9.068 59.536 1.00 38.94 O HETATM 2307 O HOH 246 49.955 10.182 66.529 1.00 32.08 O HETATM 2308 O HOH 247 60.931 -2.685 31.531 1.00 58.69 O HETATM 2309 O HOH 248 67.676 2.939 40.061 1.00 42.97 O HETATM 2310 O HOH 249 63.829 2.609 32.220 1.00 48.24 O HETATM 2311 O HOH 250 67.821 0.300 40.353 1.00 32.16 O HETATM 2312 O HOH 251 61.530 13.516 52.595 1.00 28.88 O HETATM 2313 O HOH 252 66.948 -13.270 58.517 1.00 47.33 O HETATM 2314 O HOH 253 62.309 -23.187 48.951 1.00 47.80 O HETATM 2315 O HOH 254 66.366 1.158 35.143 1.00 48.03 O HETATM 2316 O HOH 255 27.945 -4.936 45.983 1.00 41.66 O HETATM 2317 O HOH 256 72.140 -6.437 59.855 1.00 49.33 O HETATM 2318 O HOH 257 50.445 -7.061 30.256 1.00 49.99 O HETATM 2319 O HOH 258 64.796 2.289 29.592 1.00 48.23 O HETATM 2320 O HOH 259 64.847 6.709 28.271 1.00 42.69 O HETATM 2321 O HOH 260 71.801 -13.181 59.564 1.00 53.55 O HETATM 2322 O HOH 261 49.503 -8.023 25.779 1.00 41.69 O HETATM 2323 C01 TWB A 262 48.317 15.981 46.716 1.00 -0.03 C HETATM 2324 C02 TWB A 262 49.092 14.720 46.333 1.00 -0.04 C HETATM 2325 C03 TWB A 262 49.778 14.771 45.140 1.00 -0.02 C HETATM 2326 C04 TWB A 262 50.513 13.702 44.677 1.00 0.13 C HETATM 2327 C15 TWB A 262 50.545 12.585 45.462 1.00 0.02 C HETATM 2328 C09 TWB A 262 51.289 11.523 44.977 1.00 -0.01 C HETATM 2329 C08 TWB A 262 51.961 11.640 43.774 1.00 0.01 C HETATM 2330 C06 TWB A 262 51.887 12.821 43.025 1.00 0.24 C HETATM 2331 O05 TWB A 262 51.161 13.824 43.493 1.00 -0.22 O HETATM 2332 O07 TWB A 262 52.426 12.942 41.989 1.00 -0.39 O HETATM 2333 H5 TWB A 262 52.554 10.805 43.405 1.00 0.04 H HETATM 2334 C10 TWB A 262 51.233 10.262 45.853 1.00 0.06 C HETATM 2335 P11 TWB A 262 49.665 9.233 45.733 1.00 0.07 P HETATM 2336 O12 TWB A 262 48.865 9.333 46.896 1.00 -0.56 O HETATM 2337 O13 TWB A 262 50.060 7.743 45.608 1.00 -0.56 O HETATM 2338 O14 TWB A 262 48.881 9.663 44.568 1.00 -0.56 O HETATM 2339 H6 TWB A 262 51.348 10.576 46.901 1.00 0.07 H HETATM 2340 H7 TWB A 262 52.079 9.618 45.569 1.00 0.07 H HETATM 2341 C16 TWB A 262 49.879 12.507 46.700 1.00 -0.06 C HETATM 2342 C17 TWB A 262 49.151 13.619 47.119 1.00 -0.05 C HETATM 2343 C18 TWB A 262 48.408 13.603 48.427 1.00 -0.04 C HETATM 2344 H9 TWB A 262 47.901 14.568 48.573 1.00 0.04 H HETATM 2345 H10 TWB A 262 49.118 13.434 49.250 1.00 0.04 H HETATM 2346 H11 TWB A 262 47.662 12.795 48.415 1.00 0.04 H HETATM 2347 H8 TWB A 262 49.931 11.611 47.308 1.00 0.06 H HETATM 2348 H4 TWB A 262 49.738 15.678 44.548 1.00 0.05 H HETATM 2349 H1 TWB A 262 48.421 16.732 45.919 1.00 0.04 H HETATM 2350 H2 TWB A 262 48.719 16.387 47.656 1.00 0.04 H HETATM 2351 H3 TWB A 262 47.254 15.732 46.849 1.00 0.04 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2062 CONECT 761 760 763 2062 CONECT 785 783 2063 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 785 1494 1867 CONECT 2323 2324 2349 2350 2351 CONECT 2324 2323 2325 2342 CONECT 2325 2324 2326 2348 CONECT 2326 2325 2327 2331 CONECT 2327 2326 2328 2341 CONECT 2328 2327 2329 2334 CONECT 2329 2328 2330 2333 CONECT 2330 2329 2331 2332 CONECT 2331 2326 2330 CONECT 2332 2330 CONECT 2333 2329 CONECT 2334 2328 2335 2339 2340 CONECT 2335 2334 2336 2337 2338 CONECT 2336 2335 CONECT 2337 2335 CONECT 2338 2335 CONECT 2339 2334 CONECT 2340 2334 CONECT 2341 2327 2342 2347 CONECT 2342 2324 2341 2343 CONECT 2343 2342 2344 2345 2346 CONECT 2344 2343 CONECT 2345 2343 CONECT 2346 2343 CONECT 2347 2341 CONECT 2348 2325 CONECT 2349 2323 CONECT 2350 2323 CONECT 2351 2323 MASTER 0 0 0 0 0 0 0 0 2350 1 41 18 END
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Structure:
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Related entries of code: 6d1a
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
233aa, >6D1K_1|Chain... at 98%
6d1i
RCSB PDB
PDBbind
233aa, >6D1I_1|Chain... at 98%
6d1j
RCSB PDB
PDBbind
233aa, >6D1J_1|Chain... at 98%
6d1h
RCSB PDB
PDBbind
233aa, >6D1H_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1d
RCSB PDB
PDBbind
233aa, >6D1D_1|Chain... at 98%
6d1b
RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6d15
RCSB PDB
PDBbind
TWB
Entry Information
PDB ID
6d1a
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
TWB
EC.Number
E.C.3.5.2.6
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Ki=44.3uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8480-8496
Ligand Properties
Formula
C
1
2
H
1
4
O
5
P
Molecular Weight
269.210
Exact Mass
269.058
No. of atoms
32
No. of bonds
33
Polar Surface Area
104.49
LOGP Value
0.00 (
Computed with XLOGP3
)
1.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=c1cc(CP(O)(O)O)c2c(o1)cc(c(c2)C)C
InChI String
InChI=1S/C12H15O5P/c1-7-3-10-9(6-18(14,15)16)5-12(13)17-11(10)4-8(7)2/h3-5,14-16,18H,6H2,1-2H3
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):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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